From 47f77d0040bb7b3315692741301cc67b5c6d481b Mon Sep 17 00:00:00 2001 From: Bartlomiej Zaborowski Date: Wed, 8 Aug 2012 13:22:22 +0200 Subject: [PATCH] New examples for GAB force fields (restrained, unrestrained, CLUSTER, energy minimization, energy reminimization, local CSA) --- examples/unres/CSA/GAB/CSA/1l2y_csa.CSA.bank | 4202 -- examples/unres/CSA/GAB/CSA/1l2y_csa.CSA.bank1 | 4202 -- examples/unres/CSA/GAB/CSA/1l2y_csa.CSA.history | 285 - examples/unres/CSA/GAB/CSA/1l2y_csa.CSA.rbank | 4201 -- examples/unres/CSA/GAB/CSA/1l2y_csa.CSA.seed | 5 - examples/unres/CSA/GAB/CSA/1l2y_csa.inp | 17 - examples/unres/CSA/GAB/CSA/1l2y_csa.out_GB000 |53239 ------------------- examples/unres/CSA/GAB/CSA/1l2y_csa.out_GB001 | 1621 - examples/unres/CSA/GAB/CSA/1l2y_csa.out_GB002 | 1619 - examples/unres/CSA/GAB/CSA/1l2y_csa.out_GB003 | 1636 - examples/unres/CSA/GAB/CSA/1l2y_csa.out_GB004 | 1667 - examples/unres/CSA/GAB/CSA/1l2y_csa.out_GB005 | 1704 - examples/unres/CSA/GAB/CSA/1l2y_csa.out_GB006 | 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examples/unres/CSA/GAB/CSA/local/1l2y_csa_1741.int create mode 100644 examples/unres/CSA/GAB/CSA/local/1l2y_csa_18541.int create mode 100644 examples/unres/CSA/GAB/CSA/local/1l2y_csa_2541.int create mode 100644 examples/unres/CSA/GAB/CSA/local/1l2y_csa_3741.int create mode 100644 examples/unres/CSA/GAB/CSA/local/1l2y_csa_5341.int create mode 100644 examples/unres/CSA/GAB/CSA/local/1l2y_csa_541.int create mode 100644 examples/unres/CSA/GAB/CSA/local/1l2y_csa_8141.int create mode 100644 examples/unres/CSA/GAB/CSA/local/1l2y_csa_941.int create mode 100644 examples/unres/CSA/GAB/CSA/local/1l2y_csa_GB000.int create mode 100644 examples/unres/CSA/GAB/CSA/local/1l2y_csa_GB000.mol2 create mode 100644 examples/unres/CSA/GAB/CSA/local/1l2y_csa_GB000.pdb create mode 100644 examples/unres/CSA/GAB/CSA/local/1l2y_csa_GB000.stat create mode 100644 examples/unres/CSA/GAB/CSA/local/pdb2int/1l2y.pdb create mode 100644 examples/unres/CSA/GAB/CSA/local/pdb2int/1l2y_csa.CSA.native.int create mode 100644 examples/unres/CSA/GAB/CSA/local/pdb2int/1l2y_pdb.inp create mode 100644 examples/unres/CSA/GAB/CSA/local/pdb2int/1l2y_pdb.intin create mode 100644 examples/unres/CSA/GAB/CSA/local/pdb2int/1l2y_pdb.out_GB000 create mode 100644 examples/unres/CSA/GAB/CSA/local/pdb2int/1l2y_pdb.out_GB001 create mode 100644 examples/unres/CSA/GAB/CSA/local/pdb2int/1l2y_pdb.out_GB002 create mode 100644 examples/unres/CSA/GAB/CSA/local/pdb2int/1l2y_pdb.out_GB003 create mode 100644 examples/unres/CSA/GAB/CSA/local/pdb2int/1l2y_pdb_GB000.int create mode 100644 examples/unres/CSA/GAB/CSA/local/pdb2int/1l2y_pdb_GB000.mol2 create mode 100644 examples/unres/CSA/GAB/CSA/local/pdb2int/1l2y_pdb_GB000.pdb create mode 100644 examples/unres/CSA/GAB/CSA/local/pdb2int/1l2y_pdb_GB000.stat create mode 100644 examples/unres/CSA/GAB/CSA/local/pdb2int/1l2y_pdb_GB001.int create mode 100644 examples/unres/CSA/GAB/CSA/local/pdb2int/1l2y_pdb_GB002.int create mode 100644 examples/unres/CSA/GAB/CSA/local/pdb2int/1l2y_pdb_GB003.int create mode 100644 examples/unres/CSA/GAB/CSA/local/pdb2int/beta_dfa.dat create mode 100644 examples/unres/CSA/GAB/CSA/local/pdb2int/dist_dfa.dat create mode 100644 examples/unres/CSA/GAB/CSA/local/pdb2int/nei_dfa.dat create mode 100644 examples/unres/CSA/GAB/CSA/local/pdb2int/phi_dfa.dat create mode 100755 examples/unres/CSA/GAB/CSA/local/pdb2int/start.mat create mode 100644 examples/unres/CSA/GAB/CSA/local/pdb2int/theta_dfa.dat create mode 100755 examples/unres/CSA/GAB/CSA/local/pdb2int/unres.csh create mode 100755 examples/unres/CSA/GAB/CSA/local/start.mat create mode 100755 examples/unres/CSA/GAB/CSA/local/unres.csh delete mode 100755 examples/unres/CSA/GAB/CSA/start.mat delete mode 100755 examples/unres/CSA/GAB/CSA/unres.csh diff --git a/examples/unres/CSA/GAB/CSA/1l2y_csa.CSA.bank b/examples/unres/CSA/GAB/CSA/1l2y_csa.CSA.bank deleted file mode 100644 index 7faa206..0000000 --- a/examples/unres/CSA/GAB/CSA/1l2y_csa.CSA.bank +++ /dev/null @@ -1,4202 +0,0 @@ - jlee = 1 nbank = 200 nstep = 40600 12736259 2 353.74693 - nglob_csa = 46 eglob_csa = -9.25429E+01 - # 1 total E -8.81150E+01 rmsd from N 0.000 %NC 0.00 1 - 93.990 118.584 140.326 -7.307 - 91.447 79.488 147.399 -18.868 - 89.250 52.101 115.986 -64.212 - 89.454 42.823 166.971-160.578 - 89.375 48.178 133.527-105.287 - 89.322 58.803 120.573 29.222 - 89.262 58.460 142.194-136.251 - 88.646 47.455 116.823-126.356 - 91.012 170.968 137.578-112.669 - 95.592 99.745 0.000 0.000 - 130.936 -52.670 0.000 0.000 - 93.989 81.424 132.410-155.639 - 94.658 -58.171 118.772 -76.349 - 134.616-159.400 126.317 -80.337 - 116.750 174.153 0.000 0.000 - 131.456 -83.154 111.847-127.276 - 118.942-109.491 115.303-120.605 - 119.281-138.861 109.907-109.156 - 93.135 79.732 104.378-114.504 - 93.299 0.000 111.237 -78.065 - # 2 total E -8.67267E+01 rmsd from N 0.000 %NC 0.00 1 - 93.826 104.792 146.988 -19.144 - 93.135 126.135 140.527 -27.567 - 123.723 -90.073 90.173 -93.684 - 91.194 54.643 146.338-117.578 - 90.307 38.839 122.346 -96.930 - 90.864 63.979 119.179 -19.508 - 90.004 49.209 144.424 -56.551 - 89.892 79.206 83.959 -79.055 - 91.589 0.004 137.710-123.700 - 108.600 -88.987 0.000 0.000 - 116.395 -53.390 0.000 0.000 - 92.339 74.412 100.283 -95.978 - 93.112 143.227 113.018 -76.987 - 93.170 -74.286 124.754-139.596 - 94.396 52.975 0.000 0.000 - 131.643 -78.650 128.072-125.852 - 116.879-106.359 116.292-123.194 - 119.989-152.756 116.905-117.910 - 93.942 32.843 92.493 -98.618 - 93.458 0.000 114.090 -82.928 - # 3 total E -9.08499E+01 rmsd from N 0.000 %NC 0.00 1 - 93.857 122.312 148.545 -9.450 - 91.447 83.359 127.929 -32.555 - 91.864 44.212 92.850 -82.744 - 91.052 43.889 147.668 -99.646 - 90.003 42.858 119.542-113.378 - 90.967 52.580 164.372 10.804 - 90.463 46.072 131.717-166.475 - 91.611 74.437 108.090-102.993 - 90.419 -65.214 129.812-137.858 - 103.314 -66.291 0.000 0.000 - 98.761 -31.870 0.000 0.000 - 92.857 104.217 139.924-168.549 - 94.389 102.541 113.487 -77.138 - 122.736 -95.184 119.902 -77.610 - 94.723 81.064 0.000 0.000 - 130.876 -69.062 129.418 -94.972 - 118.974-107.764 109.607-113.858 - 118.418-139.267 110.478-111.527 - 117.211-118.166 127.230-136.658 - 121.767 0.000 121.486 -80.867 - # 4 total E -8.65042E+01 rmsd from N 0.000 %NC 0.00 1 - 118.428-106.794 152.114 -14.469 - 122.382 170.385 157.117 -10.511 - 92.460 75.536 141.704 88.121 - 90.578 43.539 150.217 -94.604 - 90.230 48.428 117.743 -67.271 - 91.412 48.732 133.010 41.830 - 90.895 39.526 137.836-125.943 - 92.340 59.516 130.951-132.106 - 92.555 -77.681 131.884-129.215 - 122.042 -63.536 0.000 0.000 - 130.483 -38.758 0.000 0.000 - 105.708 -30.484 91.554 -80.720 - 91.808 100.160 114.551 -75.927 - 92.775 10.821 105.654 -79.981 - 123.856 -11.381 0.000 0.000 - 116.976 -74.517 91.422 -59.109 - 115.774-108.128 118.183-121.748 - 119.086-140.941 131.557-140.705 - 92.995 71.190 98.857 -98.071 - 93.410 0.000 126.050-130.920 - # 5 total E -8.59012E+01 rmsd from N 0.000 %NC 0.00 1 - 93.932 110.439 142.804 -9.286 - 91.715 77.780 134.227 -21.411 - 91.890 44.767 99.879 -71.423 - 91.628 38.409 147.988-107.986 - 90.922 44.790 116.429-110.364 - 92.056 45.976 132.489 100.979 - 90.958 76.656 135.785-121.384 - 91.159 18.904 136.023-122.257 - 94.111-112.708 107.102 -79.232 - 93.623 149.374 0.000 0.000 - 140.389 -36.626 0.000 0.000 - 94.078 87.058 88.009 -85.406 - 128.861-114.237 125.172 -82.874 - 128.836 -83.459 122.056 -80.224 - 95.371 166.545 0.000 0.000 - 129.744 -83.473 130.101-124.926 - 118.608-109.641 119.001-126.397 - 120.700-137.121 108.403-106.069 - 93.582 73.662 124.993-145.411 - 93.314 0.000 111.270 -79.006 - # 6 total E -8.41265E+01 rmsd from N 0.000 %NC 0.00 1 - 93.724 96.090 150.832 -27.321 - 92.828 124.386 140.890 -44.174 - 130.287 -94.037 91.611 -98.538 - 92.257 53.660 148.853-109.656 - 91.334 38.215 113.941 -82.030 - 92.370 50.164 155.271 95.129 - 90.971 43.812 139.950-108.147 - 91.978 68.744 140.094-134.528 - 92.657-117.310 139.127-133.677 - 135.826 -69.534 0.000 0.000 - 92.521 49.373 0.000 0.000 - 89.508 49.371 98.578-100.079 - 88.453 59.496 108.564 -76.458 - 91.137 37.770 116.071 -76.656 - 94.401 70.368 0.000 0.000 - 112.305 -58.797 131.589-111.779 - 118.376-106.622 117.876-125.665 - 120.029-140.656 112.646-112.922 - 93.105 54.997 93.909-102.059 - 93.359 0.000 111.800 -80.950 - # 7 total E -8.52861E+01 rmsd from N 0.000 %NC 0.00 1 - 93.707 46.555 109.267 -80.906 - 92.879 168.664 142.601 -25.672 - 91.119 85.177 131.719 -95.468 - 89.602 52.764 146.624-101.648 - 89.285 45.899 109.099 -74.668 - 90.110 54.687 125.904 42.568 - 90.307 39.701 134.877-155.270 - 92.268 63.058 128.723-135.762 - 91.899 -66.383 139.893-124.016 - 115.292 -57.637 0.000 0.000 - 117.459 -55.311 0.000 0.000 - 110.430 164.422 130.941-142.699 - 93.424 72.491 114.598 -77.877 - 93.816 -99.227 110.725 -77.446 - 93.906 148.111 0.000 0.000 - 130.652-111.314 126.208 -70.281 - 117.925-110.280 119.362-126.708 - 120.188-142.334 116.014-116.337 - 93.409 67.219 103.319 -95.018 - 93.321 0.000 112.907 -78.443 - # 8 total E -8.92623E+01 rmsd from N 0.000 %NC 0.00 1 - 93.952 125.444 144.327 -3.866 - 91.304 86.281 127.537 -23.910 - 91.553 44.715 123.659 89.875 - 90.894 43.749 150.495 -94.584 - 90.639 45.223 118.407-120.101 - 91.937 50.447 134.948 32.353 - 90.851 37.650 141.074 -90.929 - 92.295 60.561 131.004-133.228 - 92.822 -75.844 129.379-134.452 - 126.296 -67.647 0.000 0.000 - 136.127 -32.305 0.000 0.000 - 109.063 -30.724 91.807 -81.320 - 90.635 93.773 129.778 141.142 - 91.586 2.122 103.728 -80.081 - 118.857 -12.339 0.000 0.000 - 129.510 -73.276 127.423 -59.160 - 121.190-147.800 110.218-110.301 - 121.373-108.804 112.773-113.211 - 118.296-118.579 116.846-120.919 - 121.884 0.000 121.496 -81.088 - # 9 total E -8.39389E+01 rmsd from N 0.000 %NC 0.00 1 - 93.711 46.092 108.921 -80.657 - 93.139 168.374 139.385 -37.084 - 105.938 170.994 116.181 -75.527 - 91.797 61.518 140.587-106.775 - 90.064 43.113 114.813-108.066 - 91.752 53.535 132.991 34.884 - 90.671 37.185 144.854-119.617 - 92.304 63.011 129.981-134.205 - 91.960 -72.153 130.485-131.621 - 119.384 -66.571 0.000 0.000 - 130.960 -41.850 0.000 0.000 - 106.175 -28.903 92.475 -83.908 - 91.470 97.554 130.149 135.334 - 91.780 5.977 106.718 -79.293 - 119.572 -12.186 0.000 0.000 - 128.212 -77.123 100.271 -58.050 - 116.744-106.447 119.043-123.478 - 118.135-115.438 141.533-154.397 - 118.398-118.579 116.663-121.276 - 121.887 0.000 121.492 -81.096 - # 10 total E -8.41036E+01 rmsd from N 0.000 %NC 0.00 1 - 93.788 52.862 146.966 -26.610 - 92.888 170.368 140.973 -22.873 - 91.569 84.978 132.859 109.571 - 88.007 49.057 147.128 -93.165 - 88.590 51.527 84.848 -66.453 - 89.061 47.227 159.797 103.262 - 90.010 62.773 142.246 -98.528 - 90.256 31.941 135.058-131.795 - 92.845-115.848 106.586 -79.756 - 94.435 149.839 0.000 0.000 - 132.921 -52.010 0.000 0.000 - 92.201 66.163 96.882 -97.485 - 91.320 97.185 107.810 -76.727 - 92.544 40.840 115.779 -81.473 - 95.663 80.774 0.000 0.000 - 122.019 -89.066 84.051 -64.410 - 118.516-109.710 120.131-126.347 - 118.662-138.240 112.223-112.437 - 93.112 81.195 103.492-103.496 - 93.296 0.000 110.570 -78.366 - # 11 total E -8.37064E+01 rmsd from N 0.000 %NC 0.00 1 - 118.290-161.337 146.504 -15.550 - 117.578-108.173 144.812 -35.218 - 91.326 58.748 134.008 113.471 - 90.163 45.113 142.087 -95.092 - 89.483 44.365 118.161 -90.607 - 90.314 57.180 149.147 7.729 - 90.350 41.765 137.257 164.479 - 91.775 69.763 100.860-103.098 - 92.344 -85.962 135.794-117.650 - 94.350 166.995 0.000 0.000 - 150.614 -39.605 0.000 0.000 - 89.702 52.560 131.605-161.232 - 90.120 49.493 109.679 -79.640 - 93.605-106.868 110.214 -78.529 - 96.585 142.254 0.000 0.000 - 124.046 -82.831 132.523 -56.934 - 118.046-109.974 118.708-125.697 - 118.910-140.324 109.727-110.159 - 93.221 71.451 102.522-103.323 - 93.314 0.000 112.272 -78.417 - # 12 total E -8.49507E+01 rmsd from N 0.000 %NC 0.00 1 - 93.895 123.668 145.574 -14.488 - 112.209 178.104 149.267 -19.621 - 123.036 -82.256 122.837-126.809 - 90.614 65.598 147.079 -95.027 - 89.652 41.487 98.754 -83.886 - 89.836 60.689 124.760-128.590 - 89.973 46.077 141.602 -46.354 - 91.706 97.515 131.373-139.123 - 91.686 -12.586 145.182-113.300 - 103.758 -72.133 0.000 0.000 - 99.376 -18.023 0.000 0.000 - 93.528 95.682 99.353 -96.000 - 117.974 132.123 121.383 -79.571 - 94.836 -78.979 111.953 -79.344 - 93.958 65.732 0.000 0.000 - 133.094 -78.025 133.936-117.904 - 119.814-107.799 114.041-119.052 - 119.215-139.303 117.325-118.453 - 93.179 78.574 102.529-111.031 - 93.303 0.000 111.143 -78.372 - # 13 total E -8.61962E+01 rmsd from N 0.000 %NC 0.00 1 - 93.874 120.821 147.156 -10.236 - 91.299 84.402 124.145 -17.509 - 90.909 48.166 94.047 -89.577 - 90.378 42.993 150.530 -96.450 - 90.245 45.374 116.856-125.734 - 90.941 51.919 128.555 54.552 - 89.945 52.198 132.345-150.179 - 90.155 42.557 134.067-135.109 - 92.070 168.023 141.057-123.531 - 96.424 102.166 0.000 0.000 - 137.342 -73.878 0.000 0.000 - 123.841 -69.503 107.567-103.615 - 89.992 82.396 124.036 157.194 - 92.262 16.941 111.396 -78.839 - 114.558 -27.351 0.000 0.000 - 126.891 -82.665 153.950 -29.277 - 119.419-113.260 109.547-111.270 - 116.476-140.159 130.824-141.262 - 114.633-117.619 141.823-155.715 - 121.561 0.000 121.392 -80.514 - # 14 total E -8.52436E+01 rmsd from N 0.000 %NC 0.00 1 - 93.883 122.050 146.930 -9.714 - 91.321 87.283 128.797 -15.102 - 90.790 47.492 95.638 -88.502 - 89.923 44.077 147.152 -95.649 - 90.435 43.596 122.415-126.954 - 91.312 44.758 126.769 81.408 - 90.694 48.305 129.499-153.869 - 90.623 57.157 141.260-133.356 - 90.961-156.897 143.160-147.317 - 95.044 100.573 0.000 0.000 - 93.496 44.007 0.000 0.000 - 90.080 47.214 101.727 -65.158 - 90.334 93.359 134.296-117.684 - 94.558 -45.288 114.273 -80.404 - 97.360 90.337 0.000 0.000 - 127.981 -82.262 124.882-123.972 - 119.686-109.495 122.237-131.321 - 113.511-116.064 97.529 -85.226 - 92.853 69.967 102.152-107.744 - 93.411 0.000 123.667-133.604 - # 15 total E -8.51081E+01 rmsd from N 0.000 %NC 0.00 1 - 93.959 109.532 139.719 -15.705 - 93.194 102.217 146.898 -28.249 - 125.593-111.237 95.667 -96.037 - 92.779 61.075 146.810-116.795 - 90.788 32.217 108.131 -39.468 - 91.719 57.909 149.443 105.126 - 90.797 70.613 153.900-171.075 - 89.344 89.778 125.294-118.928 - 92.392 -44.745 106.981 -95.044 - 97.569 83.923 0.000 0.000 - 133.198 -56.072 0.000 0.000 - 134.042 166.838 99.544 -86.068 - 129.414 161.049 121.452 -80.654 - 118.396 -80.302 113.013 -79.220 - 94.470 61.178 0.000 0.000 - 124.669 -78.877 84.317 -66.290 - 116.276-110.084 118.558-125.414 - 120.845-141.437 110.585-109.005 - 92.586 96.550 103.073-110.540 - 93.342 0.000 111.377-110.157 - # 16 total E -8.64422E+01 rmsd from N 0.000 %NC 0.00 1 - 93.857 102.597 146.716 -11.570 - 91.514 76.925 142.818 -32.151 - 91.716 43.960 167.472 14.798 - 90.699 48.451 138.747 -80.886 - 89.842 43.372 115.481-127.593 - 89.927 53.804 121.638 -72.050 - 89.715 53.754 146.798 175.612 - 90.159 68.109 135.148-133.759 - 91.755-149.096 140.207-127.626 - 95.481 74.219 0.000 0.000 - 92.749 45.421 0.000 0.000 - 89.940 58.147 83.973 -89.577 - 90.399 156.129 113.685 -76.057 - 92.348 -62.502 117.298-161.159 - 94.989 64.761 0.000 0.000 - 132.839 -98.723 66.683 -80.440 - 120.659-160.263 111.171-113.561 - 116.463-169.199 114.799-118.079 - 93.807 35.473 101.188 -96.405 - 93.379 0.000 116.051 -78.691 - # 17 total E -8.59539E+01 rmsd from N 0.000 %NC 0.00 1 - 93.820 104.433 146.539 -22.230 - 93.178 114.369 143.882 -27.965 - 128.961 -98.599 92.548 -95.293 - 91.430 62.844 145.211-110.755 - 89.986 40.947 117.934 -99.447 - 90.059 61.569 127.344 37.158 - 89.585 42.015 142.583-161.067 - 91.335 65.440 128.133-138.078 - 91.140 -63.655 142.067-136.611 - 113.556-174.360 0.000 0.000 - 92.942 49.676 0.000 0.000 - 89.416 55.459 96.975 -97.350 - 88.861 37.180 112.091 -80.002 - 93.893-131.376 108.557 -73.385 - 94.339 152.302 0.000 0.000 - 134.378-107.166 145.199 -76.307 - 119.005-110.472 114.401-120.098 - 121.673-162.868 115.199-115.147 - 93.850 50.256 98.597 -99.695 - 93.409 0.000 130.714-136.207 - # 18 total E -8.45210E+01 rmsd from N 0.000 %NC 0.00 1 - 93.953 127.191 144.969 -1.089 - 91.167 86.647 130.454 -2.872 - 89.814 51.649 100.272 -86.348 - 90.195 44.262 159.196 -98.332 - 90.282 42.493 127.898-133.920 - 92.095 55.901 126.800 92.808 - 91.791 176.571 137.226-138.467 - 93.399 100.005 129.314-115.182 - 120.345-113.776 110.476 -81.914 - 95.981 77.603 0.000 0.000 - 93.519 45.885 0.000 0.000 - 90.425 60.157 88.620 -86.690 - 90.373 139.876 113.694 -77.491 - 91.776 -72.920 115.687-150.684 - 94.486 52.111 0.000 0.000 - 129.378 -97.473 110.923 -52.863 - 117.196-111.000 116.391-121.205 - 117.284-119.430 116.366-116.842 - 93.277 86.087 132.259-155.901 - 93.206 0.000 107.610 -76.511 - # 19 total E -8.61206E+01 rmsd from N 0.000 %NC 0.00 1 - 93.898 123.071 146.459 -8.052 - 91.257 86.247 126.609 -15.821 - 90.816 47.288 97.119 -90.113 - 89.868 44.624 150.273 -97.572 - 90.350 45.515 122.731-125.381 - 91.480 46.071 124.856 68.781 - 91.064 43.687 127.436-144.731 - 91.771 48.766 137.212-133.376 - 93.023-142.626 136.256-127.949 - 128.925 -71.833 0.000 0.000 - 107.791 -17.034 0.000 0.000 - 91.825 87.093 100.956 -96.613 - 91.338 14.445 109.293 -77.127 - 95.538-125.737 106.249 -76.511 - 94.776 146.046 0.000 0.000 - 126.530 -82.524 154.949 -18.589 - 117.771-108.928 112.437-116.521 - 119.258-139.831 111.768-112.072 - 116.714-118.093 130.733-141.216 - 121.730 0.000 121.490 -80.782 - # 20 total E -8.63547E+01 rmsd from N 0.000 %NC 0.00 1 - 117.661-172.276 145.473 -17.583 - 117.422-109.496 147.783 -37.913 - 91.420 54.836 131.249 95.347 - 90.722 41.093 146.410 -93.652 - 90.675 48.516 123.271-123.577 - 91.523 47.830 135.391 34.031 - 91.011 39.280 141.615-113.785 - 92.487 58.276 130.747-131.573 - 93.095 -76.040 134.179-137.607 - 126.707 -66.732 0.000 0.000 - 136.309 -31.927 0.000 0.000 - 107.805 -31.703 91.131 -79.308 - 91.158 95.913 114.031 -75.218 - 92.697 7.197 103.021 -80.950 - 123.434 -10.079 0.000 0.000 - 122.001 -67.929 115.460 -61.290 - 118.810-138.300 108.440-108.331 - 126.303-169.905 120.350-121.900 - 93.332 56.964 93.798 -94.616 - 93.341 0.000 112.040 -80.041 - # 21 total E -8.59369E+01 rmsd from N 0.000 %NC 0.00 1 - 93.848 109.625 147.243 -13.346 - 91.654 82.672 132.367 -21.970 - 93.047 37.996 174.353 177.918 - 90.948 52.415 131.914 -82.427 - 89.603 47.506 117.017-130.821 - 89.436 54.674 111.613 -56.948 - 89.868 42.952 154.044-173.639 - 92.704 69.222 129.596-135.205 - 91.791 -58.793 151.529-130.368 - 109.995 -68.968 0.000 0.000 - 102.409 -26.438 0.000 0.000 - 93.132 104.760 135.531-161.843 - 94.002 78.711 113.220 -77.149 - 94.285 -89.174 110.519 -76.410 - 93.200 163.412 0.000 0.000 - 141.506 -92.841 72.488 -68.762 - 114.435-103.235 117.713-129.123 - 120.513-141.428 106.870-103.901 - 116.737-118.907 131.172-143.857 - 121.820 0.000 121.697 -80.854 - # 22 total E -8.68956E+01 rmsd from N 0.000 %NC 0.00 1 - 93.979 115.212 140.619 -8.075 - 91.572 78.292 143.327 -17.987 - 89.764 52.198 112.994 -68.621 - 89.868 38.660 163.550-148.364 - 89.506 49.015 114.211 -22.560 - 89.399 53.284 137.279 89.834 - 89.958 56.059 139.749-121.695 - 91.091 65.921 130.449-135.485 - 92.653 -99.175 147.334-157.131 - 142.007 -76.252 0.000 0.000 - 93.668 44.200 0.000 0.000 - 91.992 55.713 97.251 -96.767 - 93.025 -60.356 112.255 -72.986 - 129.702-158.464 124.373 -81.182 - 119.374 164.538 0.000 0.000 - 127.014 -83.118 116.382-128.382 - 118.642-110.413 114.745-119.950 - 119.364-139.567 110.879-110.475 - 93.164 76.853 104.021-113.698 - 93.304 0.000 111.645 -78.204 - # 23 total E -8.66679E+01 rmsd from N 0.000 %NC 0.00 1 - 93.971 121.646 142.995 -8.512 - 91.591 89.447 139.002 -15.870 - 91.192 44.779 140.001 112.131 - 90.529 46.423 144.078 -93.172 - 89.748 47.941 122.980-128.489 - 89.976 42.962 151.719 -27.151 - 90.405 54.839 136.223-150.218 - 90.726 43.143 125.385-103.749 - 91.234-116.725 101.957 -81.557 - 93.848 153.226 0.000 0.000 - 92.910 46.664 0.000 0.000 - 89.702 48.391 125.633-148.767 - 90.738 53.979 111.923 -76.833 - 93.177-113.394 111.737 -76.793 - 95.061 154.472 0.000 0.000 - 126.044 -84.231 136.627 -61.123 - 117.399-111.561 115.310-121.696 - 118.946-162.011 111.512-112.694 - 93.293 72.257 101.314-106.832 - 93.416 0.000 124.566-136.341 - # 24 total E -9.07614E+01 rmsd from N 0.000 %NC 0.00 1 - 93.954 125.226 144.117 -4.171 - 91.301 86.551 128.224 -22.545 - 91.425 44.851 126.145 93.962 - 90.397 45.103 149.883 -93.022 - 90.336 45.461 117.915-125.861 - 91.588 49.328 134.193 29.824 - 90.985 38.452 142.868-108.960 - 92.506 59.038 132.639-132.987 - 92.889 -71.960 135.325-141.960 - 126.946 -68.369 0.000 0.000 - 136.328 -32.214 0.000 0.000 - 107.422 -31.464 90.962 -80.483 - 91.370 96.173 112.965 -74.544 - 92.311 9.814 104.566 -80.295 - 124.422 -8.787 0.000 0.000 - 127.393 -66.660 117.710 -65.682 - 109.608-164.060 95.932 -90.230 - 129.298-142.739 111.611-109.082 - 92.417 85.253 95.798 -99.108 - 93.306 0.000 107.012 -81.019 - # 25 total E -8.76398E+01 rmsd from N 0.000 %NC 0.00 1 - 93.796 113.543 147.996 -23.951 - 114.224 173.463 143.452 -32.067 - 119.432 165.476 103.125 -76.377 - 91.030 54.170 132.973-112.628 - 89.723 48.840 89.127 -69.534 - 90.336 68.341 154.736 -93.286 - 90.302 49.575 144.679 -48.297 - 91.407 99.289 107.656-123.032 - 91.651 -26.784 144.221-125.422 - 102.074 -72.110 0.000 0.000 - 98.697 -23.154 0.000 0.000 - 93.613 104.815 133.774-157.428 - 93.874 111.698 118.455 -75.336 - 125.521 -99.197 117.118 -88.846 - 96.154 63.126 0.000 0.000 - 129.990 -78.036 151.785 -14.287 - 115.115-112.324 91.363 -88.129 - 117.898-145.786 117.673-120.859 - 93.529 65.175 128.875-152.569 - 93.335 0.000 111.119 -80.300 - # 26 total E -8.64394E+01 rmsd from N 0.000 %NC 0.00 1 - 93.813 77.555 147.303 -20.785 - 91.893 82.737 152.028-138.335 - 90.234 85.262 128.963 -40.604 - 89.501 61.229 136.409-101.428 - 89.638 43.901 98.370 -99.837 - 90.415 60.153 146.523 35.995 - 90.134 61.053 138.122 -51.356 - 90.561 106.686 130.283-141.555 - 91.166 -21.269 144.934 -47.496 - 100.268 -73.700 0.000 0.000 - 99.253 -21.311 0.000 0.000 - 93.218 102.143 133.423-156.326 - 93.847 120.410 119.112 -75.154 - 121.598 -95.001 117.213 -87.529 - 95.544 52.727 0.000 0.000 - 129.973 -81.432 93.752 -79.127 - 118.345-114.254 112.755-117.103 - 122.434-144.749 114.740-114.370 - 92.528 77.221 100.732 -97.401 - 93.325 0.000 108.834 -80.935 - # 27 total E -8.43986E+01 rmsd from N 0.000 %NC 0.00 1 - 94.008 120.465 140.440 10.548 - 92.140 154.481 144.746 -31.568 - 91.793 99.781 140.938-107.331 - 90.872 50.122 130.488 -83.416 - 88.866 48.803 134.382-140.749 - 88.351 56.724 91.246-144.787 - 89.050 59.420 147.303 -33.884 - 88.754 33.340 130.252-140.624 - 91.562-118.445 102.855 -76.968 - 94.991 128.097 0.000 0.000 - 95.150 40.680 0.000 0.000 - 91.077 66.852 108.677-104.516 - 89.307 108.432 121.349-126.386 - 92.648 -56.896 109.597-136.709 - 96.207 89.211 0.000 0.000 - 134.051 -84.495 114.798 -61.579 - 126.013-162.289 113.343-112.700 - 120.349-129.432 125.601-129.550 - 93.803 55.021 92.068 -89.026 - 93.364 0.000 113.405 -79.896 - # 28 total E -8.61493E+01 rmsd from N 0.000 %NC 0.00 1 - 93.706 90.844 151.163 -29.594 - 92.962 125.351 144.622 -34.058 - 125.737-100.584 93.117-100.918 - 91.668 60.926 144.607-104.366 - 89.960 43.183 113.931 -60.615 - 90.272 50.931 116.827 -42.034 - 90.372 51.681 149.148-132.850 - 90.748 44.333 87.718 -65.817 - 92.549-113.475 107.817 -81.600 - 94.592 157.723 0.000 0.000 - 128.206 -41.079 0.000 0.000 - 113.070-172.235 125.341-134.265 - 94.765 176.103 134.691 162.591 - 127.323 -49.846 125.052-156.499 - 96.332 87.500 0.000 0.000 - 126.598 -86.962 99.814-107.899 - 119.926-110.740 114.954-119.975 - 117.079-148.067 114.688-117.168 - 93.707 61.946 94.501 -97.451 - 93.408 0.000 128.609-134.008 - # 29 total E -8.57427E+01 rmsd from N 0.000 %NC 0.00 1 - 93.935 124.681 144.506 -10.110 - 109.881 171.332 143.261 -29.604 - 118.124 167.671 102.137 -74.412 - 90.735 67.204 129.329-113.339 - 89.890 56.656 123.032-126.095 - 89.776 62.046 117.064 4.121 - 90.391 28.430 148.340-134.407 - 93.140 68.876 132.207-135.024 - 92.874 -39.553 137.010-115.338 - 126.315 -87.254 0.000 0.000 - 142.399 -28.355 0.000 0.000 - 107.439 -23.798 95.345 -88.007 - 91.668 96.596 121.895 152.159 - 91.553 0.621 106.035 -78.005 - 115.036 -17.096 0.000 0.000 - 131.499 -74.202 139.985 -71.357 - 119.462-117.746 108.701-109.607 - 119.795-165.534 125.091-131.017 - 93.439 58.070 103.735 -97.921 - 93.340 0.000 112.883 -79.222 - # 30 total E -8.62317E+01 rmsd from N 0.000 %NC 0.00 1 - 93.880 115.627 146.040 -11.383 - 91.511 81.220 135.017 -26.610 - 91.670 41.766 130.617 111.411 - 90.653 45.837 144.373 -90.546 - 89.913 43.106 118.160-123.590 - 90.655 54.852 124.272 27.014 - 90.392 36.677 148.030-174.179 - 92.013 62.162 128.613-131.629 - 92.467 -56.715 131.868-126.843 - 125.513 -53.187 0.000 0.000 - 121.100 -16.521 0.000 0.000 - 112.435-149.437 90.253 -70.281 - 92.440 99.553 138.876 -50.595 - 94.059 26.162 113.688 -76.537 - 96.412 61.862 0.000 0.000 - 121.755 -83.589 108.576 -53.057 - 115.056-105.666 123.163-132.293 - 118.820-144.186 108.468-107.002 - 93.266 47.931 102.081-114.953 - 93.372 0.000 113.626 -80.224 - # 31 total E -8.37314E+01 rmsd from N 0.000 %NC 0.00 1 - 93.846 108.752 147.798 -11.677 - 91.501 76.992 138.489 -41.269 - 92.748 40.151 176.461-174.611 - 92.270 57.746 139.656 -88.455 - 91.162 34.564 119.154-133.059 - 91.954 60.157 107.972 -80.653 - 90.339 49.288 143.858-173.076 - 91.315 75.931 134.754-129.485 - 91.475 -78.349 104.775 -73.670 - 95.736 168.567 0.000 0.000 - 137.459 -60.004 0.000 0.000 - 131.202 159.640 102.172 -92.917 - 93.714 97.544 114.774 -76.513 - 94.749 -17.350 114.331 -77.384 - 127.949 -31.111 0.000 0.000 - 125.151 -83.731 104.898 -54.993 - 116.557-107.382 116.980-121.984 - 117.514-142.774 110.847-112.668 - 93.549 82.194 106.390-106.906 - 93.289 0.000 112.647 -76.536 - # 32 total E -8.62107E+01 rmsd from N 0.000 %NC 0.00 1 - 93.998 125.263 141.615 -3.521 - 91.458 91.404 135.707 -13.205 - 90.130 50.606 129.866 108.321 - 89.714 42.637 149.129 -94.492 - 89.729 49.829 123.954-132.365 - 90.409 45.971 125.297 18.975 - 90.390 51.686 136.521-127.512 - 90.753 44.010 136.332-134.197 - 92.403-159.045 113.041 -85.097 - 95.141 70.430 0.000 0.000 - 121.029 -72.548 0.000 0.000 - 115.646 144.526 129.784-139.671 - 94.144 74.966 108.783 -76.737 - 138.928-113.050 123.718 -86.121 - 94.676 73.078 0.000 0.000 - 125.796 -70.065 116.014-107.112 - 116.706-107.681 118.830-127.521 - 121.431-145.495 108.273-105.902 - 92.519 57.802 102.778-114.190 - 93.362 0.000 108.440 -83.496 - # 33 total E -8.62294E+01 rmsd from N 0.000 %NC 0.00 1 - 93.951 124.326 143.876 -5.723 - 91.476 89.515 132.076 -19.674 - 91.771 46.747 128.668 84.715 - 89.692 45.361 145.253 -94.798 - 89.726 53.684 119.709-127.543 - 90.179 59.903 116.992 22.694 - 89.896 34.096 147.295-134.438 - 92.897 75.791 130.986-134.761 - 92.868 -49.944 141.605-126.928 - 119.740 -72.082 0.000 0.000 - 120.747 -69.240 0.000 0.000 - 93.276 58.860 135.567-164.830 - 95.241 57.804 112.634 -75.820 - 95.282 -10.137 143.295 -57.500 - 139.692 -21.560 0.000 0.000 - 133.179 -69.416 129.550 -67.587 - 118.887-107.244 117.933-124.203 - 123.308-146.806 106.799-104.258 - 92.839 65.222 97.600-104.090 - 93.342 0.000 109.510 -81.722 - # 34 total E -8.53515E+01 rmsd from N 0.000 %NC 0.00 1 - 119.864-104.474 104.477 -73.602 - 113.912-110.774 142.341 -35.519 - 91.406 61.594 128.343 111.029 - 90.138 43.542 146.977 -95.678 - 90.136 47.469 120.643-113.835 - 90.872 47.143 137.754 26.129 - 90.617 45.104 136.385-141.886 - 91.678 66.723 134.501-133.275 - 91.635 -79.588 132.127-131.354 - 122.149 -89.802 0.000 0.000 - 119.321 -38.396 0.000 0.000 - 92.858 73.126 135.350-161.639 - 92.960 92.184 112.144 -76.367 - 129.123-105.083 118.648 -85.363 - 94.896 77.359 0.000 0.000 - 130.771 -62.545 146.403 -58.342 - 117.580-106.495 108.457-111.913 - 121.627-144.872 115.155-114.924 - 93.117 63.099 102.245-114.124 - 93.341 0.000 111.581 -80.103 - # 35 total E -8.62363E+01 rmsd from N 0.000 %NC 0.00 1 - 93.857 91.617 145.834 -15.505 - 91.835 89.636 136.525 -18.213 - 90.375 50.003 106.996 -76.269 - 90.395 39.273 168.848-137.608 - 90.202 46.285 128.938-112.560 - 91.096 45.836 136.090 84.443 - 90.943 45.446 133.233-111.193 - 91.462 47.504 139.630-142.504 - 93.210-169.678 146.769 -21.043 - 93.984 135.587 0.000 0.000 - 130.730 -37.289 0.000 0.000 - 93.654 84.035 98.879-100.476 - 126.051-107.370 121.072 -77.053 - 128.355 -85.614 121.689 -80.185 - 119.731-173.408 0.000 0.000 - 129.115 -84.386 113.721-125.380 - 119.552-109.125 116.859-122.445 - 118.892-137.968 110.583-110.105 - 93.185 83.247 105.807-114.856 - 93.285 0.000 111.023 -77.438 - # 36 total E -8.82155E+01 rmsd from N 0.000 %NC 0.00 1 - 93.893 121.676 146.288 -9.589 - 91.312 86.598 128.216 -13.784 - 90.560 49.253 95.647 -90.393 - 89.743 44.143 150.273 -96.920 - 89.909 46.458 121.446-127.631 - 90.813 50.178 124.503 48.542 - 90.034 46.027 127.721-154.448 - 90.872 57.152 133.311-135.710 - 92.002 170.640 140.869-122.160 - 95.418 103.463 0.000 0.000 - 125.937 -51.261 0.000 0.000 - 110.438 173.432 132.091-145.769 - 121.561 177.417 119.051 -80.685 - 94.646 30.656 115.909 -76.364 - 96.371 70.306 0.000 0.000 - 123.068 -79.000 146.904 -94.639 - 118.529-111.540 108.932-111.227 - 118.358-143.350 115.929-118.114 - 93.529 74.585 133.452-159.000 - 93.305 0.000 113.149 -77.299 - # 37 total E -8.66981E+01 rmsd from N 0.000 %NC 0.00 1 - 93.762 106.272 150.735 -20.794 - 93.104 126.658 139.362 -30.883 - 124.821 -95.707 93.202 -94.342 - 91.393 55.713 144.424-109.867 - 89.938 42.645 121.311 -83.615 - 90.247 55.016 118.065 -28.598 - 89.921 47.928 154.308-118.267 - 90.904 60.084 83.225 -67.556 - 91.959-109.207 113.052 -80.344 - 95.748 157.073 0.000 0.000 - 130.541 -67.859 0.000 0.000 - 110.833 148.652 129.778-142.457 - 92.930 103.813 138.113-168.915 - 94.585 29.570 114.119 -77.825 - 97.034 66.848 0.000 0.000 - 128.851-105.962 140.669-122.501 - 118.159-109.059 117.121-123.954 - 117.239-148.458 112.145-113.422 - 93.819 51.041 100.676-105.681 - 93.416 0.000 128.399-144.273 - # 38 total E -8.72171E+01 rmsd from N 0.000 %NC 0.00 1 - 94.001 128.321 142.765 1.864 - 91.339 90.290 135.081 -14.242 - 89.891 51.176 104.040 -79.096 - 90.058 41.196 155.301-101.821 - 90.407 41.846 126.083-124.781 - 91.305 49.386 130.567 96.934 - 90.586 69.539 139.256-130.863 - 89.893 92.457 131.044-116.233 - 92.140 -45.284 106.095 -87.565 - 97.079 82.069 0.000 0.000 - 132.766 -59.275 0.000 0.000 - 136.704 162.199 96.428 -80.276 - 126.181 173.873 122.917 -78.649 - 118.816 -74.655 117.382 -79.601 - 95.265 59.563 0.000 0.000 - 125.529 -81.953 148.139 -39.824 - 120.845-166.554 112.058-115.094 - 120.321-162.305 115.985-114.458 - 93.321 98.289 103.719-104.096 - 93.293 0.000 109.473 -77.457 - # 39 total E -8.37159E+01 rmsd from N 0.000 %NC 0.00 1 - 93.889 119.345 146.036 -10.398 - 91.562 82.840 137.222 -27.813 - 91.527 46.293 132.570 113.911 - 91.177 42.403 149.137 -97.664 - 90.322 47.951 119.174-114.579 - 91.132 42.705 157.213 -6.798 - 90.782 61.309 134.812-118.834 - 90.782 35.044 124.075-105.839 - 92.762-120.772 94.759 -82.736 - 93.131 152.612 0.000 0.000 - 93.069 53.275 0.000 0.000 - 89.272 43.271 108.834-118.694 - 91.253 54.797 108.573 -78.240 - 95.358 -49.305 117.554 -76.372 - 137.263 -16.168 0.000 0.000 - 134.009 -83.461 92.437 -63.142 - 117.640-109.296 117.102-123.623 - 121.219-137.618 107.313-103.825 - 92.452 91.292 104.162-112.646 - 93.246 0.000 107.611 -77.647 - # 40 total E -9.03375E+01 rmsd from N 0.000 %NC 0.00 1 - 115.829 -50.889 110.339 -82.046 - 91.789 80.805 132.645 -28.639 - 91.977 42.237 99.992 -82.546 - 91.072 43.930 147.085 -94.071 - 90.179 42.542 117.753-118.615 - 90.776 49.703 163.238 36.050 - 90.607 46.296 133.272-167.349 - 92.044 75.509 136.221-130.407 - 90.252 -65.111 132.343-135.801 - 102.209 -65.611 0.000 0.000 - 97.978 -33.380 0.000 0.000 - 92.855 104.739 140.375-169.682 - 94.441 103.959 113.281 -77.217 - 121.991 -96.530 118.692 -77.573 - 94.678 79.454 0.000 0.000 - 130.376 -69.142 126.610 -88.898 - 118.887-109.939 107.334-110.730 - 118.109-160.511 112.245-114.143 - 93.732 57.949 103.340-113.714 - 93.417 0.000 125.573-142.713 - # 41 total E -8.73809E+01 rmsd from N 0.000 %NC 0.00 1 - 93.898 120.518 145.604 -10.702 - 91.523 88.209 132.106 -16.465 - 90.440 49.166 91.885 -84.250 - 89.886 43.007 148.211 -97.039 - 90.395 44.911 121.351-127.179 - 91.089 47.117 150.137 40.606 - 90.726 43.827 131.356-145.875 - 92.164 70.690 136.126-134.791 - 90.853 -67.216 137.666-114.958 - 111.042 -62.759 0.000 0.000 - 116.300 -60.789 0.000 0.000 - 92.710 66.430 135.045-161.942 - 93.066 96.022 113.387 -76.399 - 93.587 -36.997 111.018 -80.866 - 114.997 -24.401 0.000 0.000 - 125.841 -84.773 79.669 -67.252 - 117.080-111.192 118.051-124.334 - 120.614-107.357 114.539-111.383 - 92.932 79.797 92.291-103.345 - 93.237 0.000 106.924 -78.667 - # 42 total E -8.56434E+01 rmsd from N 0.000 %NC 0.00 1 - 93.705 33.886 108.026 -81.090 - 92.849 163.363 140.949 -19.080 - 91.497 80.745 142.207 95.533 - 90.944 40.553 150.689 -96.526 - 90.007 49.516 127.359 -60.563 - 90.996 51.978 129.011 35.504 - 90.405 40.867 138.949-134.641 - 91.923 61.511 127.710-132.786 - 92.111 -70.951 131.837-132.793 - 118.705 -60.816 0.000 0.000 - 129.077 -44.932 0.000 0.000 - 104.792 -31.169 93.431 -86.838 - 91.624 99.180 122.340 142.828 - 92.361 9.589 107.933 -79.652 - 118.326 -7.429 0.000 0.000 - 129.293 -76.653 96.448 -56.950 - 117.197-105.071 124.519-131.343 - 119.437-111.191 109.365-109.132 - 117.966-118.961 115.747-121.489 - 121.952 0.000 121.546 -81.211 - # 43 total E -8.68702E+01 rmsd from N 0.000 %NC 0.00 1 - 93.879 121.836 147.046 -10.353 - 91.278 90.015 128.837 -9.684 - 90.698 48.248 97.358 -90.005 - 88.335 49.039 142.643 -95.840 - 88.797 57.443 125.954-141.500 - 89.102 49.789 116.187 51.825 - 90.094 45.338 140.471 -89.840 - 91.753 64.526 127.847-137.028 - 93.072-165.064 142.578-141.636 - 138.051 -55.339 0.000 0.000 - 94.017 48.135 0.000 0.000 - 92.086 52.925 96.011 -96.038 - 93.624 -61.935 109.494 -77.090 - 122.818-100.826 118.557 -79.664 - 115.969 170.362 0.000 0.000 - 129.792-104.609 114.996 -49.470 - 115.901-109.286 120.015-127.789 - 120.727-152.100 111.041-109.985 - 93.133 56.108 101.807-105.465 - 93.352 0.000 111.350 -80.973 - # 44 total E -8.75454E+01 rmsd from N 0.000 %NC 0.00 1 - 93.855 113.203 145.230 -14.656 - 91.719 89.291 136.959 -12.075 - 91.524 44.020 176.063 173.500 - 89.289 47.372 133.118 -84.344 - 88.905 51.080 119.269-136.192 - 88.432 52.328 117.008 -46.766 - 89.620 44.101 158.330-171.107 - 92.075 71.509 127.991-135.529 - 91.153 -57.364 145.026-122.566 - 110.095 -70.280 0.000 0.000 - 102.230 -24.296 0.000 0.000 - 93.142 105.315 135.764-161.036 - 93.592 91.040 114.342 -76.431 - 94.875 -95.180 116.268 -72.354 - 95.022 114.494 0.000 0.000 - 131.940 -75.841 154.612 -16.292 - 119.183-106.938 105.009-104.012 - 118.652-138.345 108.752-108.387 - 93.733 77.975 124.405-146.970 - 93.314 0.000 111.814 -78.084 - # 45 total E -8.56921E+01 rmsd from N 0.000 %NC 0.00 1 - 93.899 122.696 146.282 -8.542 - 91.249 88.708 130.281 -6.081 - 90.068 51.218 96.724 -88.866 - 89.315 44.177 149.904-100.292 - 90.081 44.975 126.871-135.649 - 90.721 51.101 128.141 74.614 - 90.710 38.290 134.616-145.044 - 92.730 64.553 130.731-134.350 - 92.475 -43.776 142.915-149.617 - 116.571-156.035 0.000 0.000 - 92.937 46.052 0.000 0.000 - 89.791 48.845 97.780 -97.378 - 89.650 45.372 112.644 -78.727 - 93.545-172.202 116.129 -78.344 - 94.648 120.950 0.000 0.000 - 127.684 -80.342 115.410 -98.733 - 118.148-108.271 116.945-123.906 - 119.431-141.199 111.192-110.730 - 93.226 72.826 103.365-113.231 - 93.312 0.000 112.463 -78.141 - # 46 total E -8.68119E+01 rmsd from N 0.000 %NC 0.00 1 - 93.895 121.881 146.236 -9.380 - 91.319 86.744 128.446 -14.539 - 90.593 48.930 95.963 -90.455 - 89.721 44.179 149.982 -96.628 - 89.893 46.518 121.451-127.483 - 90.782 49.870 123.663 50.046 - 90.057 46.580 127.718-155.094 - 90.879 56.978 133.757-135.688 - 91.970 169.542 141.697-123.394 - 95.459 104.145 0.000 0.000 - 124.969 -51.122 0.000 0.000 - 110.185 172.632 132.141-145.985 - 121.203 177.524 119.579 -79.927 - 94.521 31.766 115.891 -76.354 - 96.431 71.500 0.000 0.000 - 124.278 -80.753 149.849 -96.911 - 118.918-112.454 108.285-110.450 - 118.833-142.310 112.797-114.083 - 116.024-118.315 134.739-147.966 - 121.710 0.000 121.568 -80.707 - # 47 total E -8.78005E+01 rmsd from N 0.000 %NC 0.00 1 - 93.841 119.047 148.369 -13.733 - 91.422 89.552 130.868 -10.770 - 91.600 39.455 90.599 -81.314 - 90.357 54.549 130.669 -82.400 - 88.987 52.039 125.408-139.698 - 88.838 48.503 111.448 -45.234 - 89.817 47.501 165.791-154.072 - 90.242 52.390 133.649-134.689 - 91.666-175.132 137.614-123.670 - 94.795 70.833 0.000 0.000 - 93.418 44.184 0.000 0.000 - 89.703 49.272 96.332 -80.787 - 89.961 77.330 117.398 -79.391 - 92.967 24.137 113.173 -78.331 - 96.696 65.718 0.000 0.000 - 128.244 -89.699 131.208 -87.182 - 117.762-108.211 119.773-127.564 - 118.149-144.770 110.707-111.377 - 93.232 59.387 102.737-103.232 - 93.343 0.000 112.280 -79.911 - # 48 total E -8.76999E+01 rmsd from N 0.000 %NC 0.00 1 - 118.691 -89.252 110.039 -80.098 - 112.145-167.168 153.295 -15.898 - 93.557 68.973 139.713 116.130 - 90.215 47.367 146.790 -96.075 - 89.607 45.910 116.434 -74.996 - 90.622 51.187 157.535 -10.051 - 90.595 41.224 133.572-167.562 - 91.892 72.519 102.280 -97.704 - 90.953 -60.455 130.600-136.470 - 108.952 -69.937 0.000 0.000 - 101.372 -26.246 0.000 0.000 - 93.101 100.133 137.536-164.084 - 93.144 104.357 115.168 -78.645 - 125.856 -88.196 131.443-155.545 - 95.579 77.340 0.000 0.000 - 125.794 -76.601 135.821 -87.823 - 120.286-112.145 112.045-116.974 - 119.373-135.065 109.832-109.922 - 118.304-118.703 119.470-123.466 - 121.891 0.000 121.549 -81.072 - # 49 total E -8.37705E+01 rmsd from N 0.000 %NC 0.00 1 - 93.948 108.646 141.660 -9.876 - 91.745 81.152 141.362 -14.151 - 90.108 48.764 112.200 -70.338 - 89.566 41.580 151.186-109.619 - 90.061 49.449 121.812-123.337 - 91.358 70.868 118.305 50.193 - 90.885 78.079 146.108-142.266 - 95.462-114.135 93.294-102.329 - 128.177 175.700 150.218 1.029 - 133.253 -65.889 0.000 0.000 - 93.655 41.583 0.000 0.000 - 101.038-142.885 86.326 -73.862 - 117.353 175.149 120.765 -79.461 - 120.928-165.967 120.866 -78.566 - 120.087 166.299 0.000 0.000 - 126.214 -87.802 111.806-126.900 - 119.034-110.920 114.275-118.841 - 118.759-141.426 113.069-113.817 - 93.167 72.335 104.763-113.535 - 93.316 0.000 111.998 -78.620 - # 50 total E -8.51112E+01 rmsd from N 0.000 %NC 0.00 1 - 93.895 122.231 146.358 -9.124 - 91.388 87.442 130.074 -15.109 - 90.493 49.615 95.386 -87.516 - 89.942 42.876 149.924 -98.379 - 90.397 44.925 126.839-119.025 - 90.615 51.052 149.724 44.629 - 90.523 40.089 133.301-149.722 - 92.146 92.070 131.445-136.213 - 91.739 -16.117 145.870 -42.216 - 105.068 -73.121 0.000 0.000 - 94.841 -13.262 0.000 0.000 - 95.357 159.317 98.221 -95.891 - 94.361 149.059 109.855 -80.508 - 92.542 43.864 115.944 -77.647 - 95.179 80.118 0.000 0.000 - 110.566 -65.479 122.626 -56.691 - 119.477-108.317 118.553-124.078 - 119.438-135.266 111.909-112.135 - 93.520 56.212 95.096-103.228 - 93.342 0.000 114.558 -78.396 - # 51 total E -8.68763E+01 rmsd from N 0.000 %NC 0.00 1 - 93.695 96.048 153.568 -25.164 - 92.930 136.981 145.358 -25.029 - 125.142 -90.958 90.092-102.489 - 91.354 55.856 148.014-109.756 - 89.856 42.852 111.189 -33.048 - 90.752 46.721 163.523 114.732 - 90.844 58.989 135.785 -56.858 - 91.423 35.866 140.044-125.974 - 93.048-114.936 105.243 -79.449 - 93.347 150.619 0.000 0.000 - 125.372 -22.136 0.000 0.000 - 92.665 77.876 82.827 -86.715 - 92.157 108.584 113.591 -76.917 - 93.520 21.093 114.443 -78.741 - 96.999 77.860 0.000 0.000 - 128.662 -85.729 135.177 -98.295 - 119.257-111.622 113.191-118.212 - 118.803-146.747 113.264-114.511 - 93.738 39.999 94.733 -98.990 - 93.414 0.000 113.706 -81.685 - # 52 total E -8.60856E+01 rmsd from N 0.000 %NC 0.00 1 - 93.807 115.922 149.528 -16.379 - 93.046 112.704 138.357 -34.288 - 133.122-107.606 96.125 -88.655 - 92.891 69.748 132.763-123.010 - 90.881 53.558 119.219 -23.240 - 91.218 71.822 96.779 -64.292 - 91.659 155.883 160.962-115.370 - 92.148 93.835 130.846-125.268 - 91.778 -68.566 104.335 -83.121 - 94.673 165.089 0.000 0.000 - 136.045 -53.208 0.000 0.000 - 113.938 178.555 121.506-128.164 - 93.964 113.365 114.688 -77.273 - 114.788 -94.289 115.966 -80.121 - 96.102 86.948 0.000 0.000 - 132.530 -82.382 88.309 -64.037 - 116.894-107.645 119.114-124.983 - 120.812-117.737 111.018-109.956 - 93.102 76.004 95.420-111.367 - 93.286 0.000 109.635 -78.935 - # 53 total E -8.50248E+01 rmsd from N 0.000 %NC 0.00 1 - 93.889 121.171 146.502 -9.910 - 91.341 86.258 128.368 -14.903 - 90.968 47.555 94.718 -89.383 - 90.140 43.898 148.483 -95.782 - 89.976 45.810 119.571-126.282 - 90.659 52.132 131.779 46.450 - 89.789 44.783 129.348-161.848 - 90.614 57.350 131.421-134.669 - 92.189 177.323 139.615-121.059 - 95.854 150.526 0.000 0.000 - 126.932 -32.374 0.000 0.000 - 93.609 84.720 93.316 -86.094 - 135.847-105.387 119.238 -77.609 - 115.558 -59.094 116.436 -79.091 - 95.049 72.540 0.000 0.000 - 122.290 -94.060 74.264 -72.570 - 122.749-165.213 126.500-133.695 - 97.050-171.632 101.622 -92.512 - 93.793 80.343 130.878-158.022 - 93.314 0.000 113.185 -77.229 - # 54 total E -8.42727E+01 rmsd from N 0.000 %NC 0.00 1 - 93.958 127.909 144.987 0.285 - 91.399 87.448 137.923 -32.702 - 91.891 44.588 118.861 101.591 - 90.333 45.293 147.114 -93.351 - 90.519 42.812 118.287-124.659 - 92.496 97.297 155.458 114.270 - 92.358 -54.566 144.051 -50.745 - 92.948 93.853 126.682-108.734 - 93.025 10.003 89.418 -94.888 - 119.943-150.277 0.000 0.000 - 134.844 -39.162 0.000 0.000 - 105.265 -29.065 95.428 -84.086 - 91.468 98.431 115.059 -76.049 - 92.409 -1.074 108.498 -78.722 - 117.771 -24.447 0.000 0.000 - 125.009 -81.847 96.182-114.118 - 118.820-116.536 112.783-116.424 - 118.322-162.014 120.993-125.345 - 93.210 62.640 103.809-100.625 - 93.335 0.000 111.841 -79.850 - # 55 total E -8.54389E+01 rmsd from N 0.000 %NC 0.00 1 - 93.712 47.568 108.980 -80.546 - 93.133 168.290 139.675 -37.639 - 105.224 172.189 116.526 -75.493 - 91.955 62.570 140.735-106.526 - 90.126 41.953 115.847-111.808 - 91.819 54.026 133.508 34.840 - 90.660 37.077 144.970-123.734 - 92.251 62.618 130.681-134.330 - 91.873 -72.616 130.614-130.888 - 119.325 -66.575 0.000 0.000 - 130.317 -43.136 0.000 0.000 - 105.883 -27.956 92.220 -83.249 - 91.620 97.780 133.033 137.913 - 91.841 5.667 106.546 -79.120 - 119.705 -12.891 0.000 0.000 - 126.351 -76.948 98.419 -58.510 - 116.400-105.254 118.431-122.565 - 118.475-138.207 137.764-147.934 - 93.382 69.209 95.287-104.066 - 93.409 0.000 126.878-130.758 - # 56 total E -8.55081E+01 rmsd from N 0.000 %NC 0.00 1 - 93.892 123.281 145.115 -16.794 - 122.130 178.110 160.550 -9.996 - 93.108 77.065 153.157 107.323 - 91.045 44.341 146.821 -92.360 - 89.591 47.211 129.842 -92.102 - 90.608 54.526 128.659 30.141 - 90.250 36.740 139.907-170.299 - 92.113 59.960 127.482-132.164 - 92.392 -61.107 134.815-112.019 - 123.459 -56.676 0.000 0.000 - 120.933 -17.473 0.000 0.000 - 112.842-142.115 92.609 -81.805 - 128.026-146.235 116.106 -78.250 - 93.981 38.993 115.805 -76.394 - 95.783 61.270 0.000 0.000 - 111.892 -72.235 143.694 -20.841 - 117.965-109.938 110.563-111.798 - 119.322-142.736 113.837-114.620 - 93.157 72.136 107.425-114.639 - 93.308 0.000 112.713 -77.943 - # 57 total E -8.52103E+01 rmsd from N 0.000 %NC 0.00 1 - 93.767 100.497 148.835 -25.323 - 93.188 118.016 142.956 -27.899 - 129.529-102.903 89.815 -96.449 - 91.689 62.568 142.915-109.076 - 90.607 41.486 113.087 -91.018 - 90.659 55.519 141.316 42.779 - 90.127 40.364 140.092-145.567 - 91.659 69.992 131.411-137.674 - 91.800 -40.664 141.374-129.711 - 115.543-156.067 0.000 0.000 - 92.661 47.365 0.000 0.000 - 89.703 49.264 97.785 -97.569 - 89.449 45.569 110.050 -74.224 - 94.225-176.726 112.952 -77.495 - 94.128 116.733 0.000 0.000 - 130.286 -78.457 111.369-100.459 - 118.520-107.707 115.900-122.531 - 120.085-136.848 111.313-110.682 - 118.833-118.460 117.626-121.772 - 121.885 0.000 121.446 -81.117 - # 58 total E -8.42973E+01 rmsd from N 0.000 %NC 0.00 1 - 93.724 89.608 150.350 -28.966 - 92.998 126.165 143.961 -30.711 - 126.054-100.539 93.705-101.437 - 91.662 60.241 145.812-107.294 - 90.039 42.549 113.055 -61.448 - 90.457 50.720 116.465 -41.041 - 90.404 51.616 150.728-130.790 - 90.776 44.551 87.368 -66.078 - 92.489-113.841 107.729 -81.559 - 94.566 156.963 0.000 0.000 - 127.009 -41.008 0.000 0.000 - 111.628-172.625 125.242-134.914 - 94.545 173.262 134.672 168.945 - 126.628 -48.897 125.154-156.548 - 96.387 93.318 0.000 0.000 - 127.767 -87.110 105.697-112.289 - 120.651-110.243 117.272-122.942 - 118.032-136.920 111.654-112.526 - 120.940-104.188 111.232-111.744 - 120.244 0.000 118.431 -79.662 - # 59 total E -8.82703E+01 rmsd from N 0.000 %NC 0.00 1 - 93.706 45.329 109.227 -81.103 - 92.967 173.029 144.820 -19.942 - 92.023 78.528 149.886 108.663 - 89.859 49.155 144.871 -96.738 - 89.334 45.183 115.344 -69.292 - 90.553 52.024 154.847 -13.609 - 90.507 41.641 135.072-166.601 - 91.745 72.778 102.467 -97.533 - 90.892 -59.344 131.008-136.815 - 109.237 -70.240 0.000 0.000 - 101.546 -26.236 0.000 0.000 - 93.001 99.907 138.905-166.144 - 93.081 104.484 115.082 -78.607 - 124.975 -86.532 131.748-156.701 - 95.669 76.273 0.000 0.000 - 125.586 -79.712 136.899 -89.941 - 119.820-110.997 116.167-121.915 - 119.578-134.491 109.393-109.103 - 118.361-118.711 118.899-123.177 - 121.892 0.000 121.547 -81.076 - # 60 total E -8.72372E+01 rmsd from N 0.000 %NC 0.00 1 - 93.885 122.078 146.969 -9.101 - 91.278 84.684 124.449 -19.065 - 91.071 47.239 95.442 -89.469 - 90.376 43.063 150.580 -96.104 - 90.309 45.417 117.200-125.264 - 91.033 50.372 126.611 59.468 - 90.137 50.676 131.875-147.814 - 90.430 43.763 135.253-134.536 - 92.154 165.539 141.275-129.529 - 96.280 102.531 0.000 0.000 - 137.665 -74.019 0.000 0.000 - 123.667 -71.274 107.672-103.897 - 89.976 82.099 123.519 156.160 - 92.244 17.687 111.490 -78.672 - 114.360 -27.439 0.000 0.000 - 127.893 -82.511 151.005 -30.423 - 119.434-116.969 107.452-107.916 - 109.996-170.488 129.841-144.404 - 93.329 51.283 112.901-107.551 - 93.347 0.000 114.040 -78.713 - # 61 total E -8.60141E+01 rmsd from N 0.000 %NC 0.00 1 - 93.892 121.658 146.334 -9.549 - 91.335 86.256 128.704 -14.810 - 90.571 49.258 95.201 -89.727 - 89.583 43.703 150.694 -96.902 - 89.793 47.672 121.417-126.726 - 90.790 51.297 121.438 50.469 - 90.256 44.395 127.952-154.100 - 91.616 61.496 131.216-136.033 - 93.074 168.504 145.289-126.512 - 94.896 111.737 0.000 0.000 - 115.048 -24.757 0.000 0.000 - 101.995 177.331 135.175-156.138 - 94.754 123.448 139.105 -37.805 - 94.293 22.141 115.116 -77.550 - 96.065 63.226 0.000 0.000 - 119.943 -61.524 151.411 -80.690 - 116.851-104.910 108.756-111.039 - 118.595-139.972 112.907-114.121 - 93.610 76.467 129.483-153.191 - 93.301 0.000 112.567 -77.454 - # 62 total E -8.45738E+01 rmsd from N 0.000 %NC 0.00 1 - 93.794 55.410 146.976 -25.939 - 92.057 101.665 132.038 -25.938 - 90.851 51.133 93.173 -83.218 - 89.454 42.291 148.512-103.578 - 89.470 51.108 122.392-131.214 - 90.276 45.863 123.705 22.442 - 90.690 51.582 137.770-106.711 - 91.342 39.149 134.643-135.492 - 93.426-174.205 109.942 -85.671 - 120.236 162.314 0.000 0.000 - 100.119 -21.542 0.000 0.000 - 98.632 179.698 133.345-154.642 - 133.463-175.753 164.813 -72.263 - 119.058 -85.263 119.542 -79.028 - 124.863-177.164 0.000 0.000 - 128.382 -81.426 122.839-123.416 - 117.435-108.512 120.225-128.783 - 120.455-143.427 108.012-105.782 - 93.015 73.389 106.853-117.243 - 93.317 0.000 111.744 -78.803 - # 63 total E -8.56771E+01 rmsd from N 0.000 %NC 0.00 1 - 93.930 122.904 144.639 -7.747 - 91.553 88.567 135.027 -18.675 - 90.452 47.726 126.468 115.801 - 90.136 44.527 147.412 -94.268 - 89.683 46.188 121.635-128.355 - 89.744 52.127 156.128 20.180 - 89.796 53.569 140.011-155.092 - 90.657 77.788 131.867-131.953 - 91.868 -87.894 139.316-125.650 - 140.301 -64.338 0.000 0.000 - 92.842 50.510 0.000 0.000 - 89.455 49.221 98.403 -99.894 - 89.106 64.941 106.345 -75.244 - 92.603 31.103 116.276 -77.288 - 96.026 78.305 0.000 0.000 - 134.629 -75.364 138.607 -96.608 - 119.929-103.016 118.311-125.083 - 118.240-138.511 111.496-111.560 - 93.306 73.579 103.744-117.839 - 93.306 0.000 112.953 -77.487 - # 64 total E -8.52672E+01 rmsd from N 0.000 %NC 0.00 1 - 93.716 6.998 101.259 -81.300 - 92.682 174.362 139.566 -26.553 - 91.902 68.191 121.360 120.425 - 90.882 38.225 155.096 -96.423 - 90.621 49.590 115.591 -30.041 - 90.523 48.884 156.368 85.384 - 90.677 44.738 135.544-128.630 - 92.699 66.066 132.157-137.358 - 91.830 -71.789 143.754-103.052 - 108.947 -48.980 0.000 0.000 - 116.337 -66.106 0.000 0.000 - 92.709 71.966 132.184-158.739 - 92.698 125.350 113.657 -76.825 - 92.627 -61.870 120.443-146.896 - 105.223 -18.707 0.000 0.000 - 129.368 -81.890 91.435 -64.297 - 116.382-108.603 116.072-123.083 - 119.962-148.318 109.947-108.520 - 93.455 83.399 102.597-106.391 - 93.303 0.000 111.079 -78.112 - # 65 total E -8.49421E+01 rmsd from N 0.000 %NC 0.00 1 - 93.712 98.533 151.536 -27.723 - 93.147 122.437 138.587 -33.804 - 128.427-100.814 95.347-100.163 - 92.625 53.147 160.700-137.682 - 90.699 42.690 107.637 -38.831 - 91.670 51.507 144.678 80.686 - 91.090 37.977 138.122-114.069 - 92.345 56.363 133.996-143.522 - 94.039-172.782 145.184 -23.483 - 93.707 126.381 0.000 0.000 - 121.608 -20.858 0.000 0.000 - 93.461 93.961 131.625-154.706 - 123.454-103.336 114.390 -76.579 - 131.051 -86.058 120.178 -80.545 - 95.834 171.689 0.000 0.000 - 130.106 -83.981 118.027-113.036 - 119.633-107.761 115.013-120.720 - 117.410-138.734 112.386-113.449 - 93.786 74.822 125.936-148.416 - 93.307 0.000 112.450 -77.841 - # 66 total E -8.44673E+01 rmsd from N 0.000 %NC 0.00 1 - 93.791 107.396 150.588 -14.208 - 92.035 137.206 116.154 -45.358 - 91.287 56.951 91.267 -93.359 - 89.927 44.170 145.994 -97.760 - 89.610 61.858 125.682-150.003 - 89.786 88.587 137.900 37.233 - 89.881 95.995 150.033-108.529 - 90.914 11.959 105.979-126.285 - 93.231-108.551 115.175 -81.237 - 95.226 145.319 0.000 0.000 - 94.367 40.946 0.000 0.000 - 93.072 129.517 100.275 -99.253 - 92.231 113.701 130.952 160.929 - 95.790 -91.752 116.395-135.890 - 95.478 166.638 0.000 0.000 - 130.578 -96.257 97.046 -88.201 - 118.668-108.204 121.714-130.103 - 120.288-140.567 109.439-108.269 - 93.537 66.842 103.516-106.128 - 93.313 0.000 113.963 -77.440 - # 67 total E -9.10421E+01 rmsd from N 0.000 %NC 0.00 1 - 93.851 100.773 147.054 -11.935 - 91.386 71.418 138.804 -41.349 - 91.307 45.403 121.983 121.772 - 90.239 46.384 143.105 -91.967 - 89.698 43.861 118.088-123.292 - 90.482 48.279 159.695 8.064 - 90.761 44.348 136.919-173.491 - 91.940 72.699 135.872-130.505 - 90.573 -63.222 131.012-134.224 - 107.480 -68.543 0.000 0.000 - 100.341 -27.913 0.000 0.000 - 92.978 100.244 136.653-162.074 - 92.929 101.505 114.612 -78.147 - 124.300 -91.143 123.320-139.244 - 94.540 80.781 0.000 0.000 - 129.019 -69.421 132.553-118.943 - 120.080-121.382 107.254-112.217 - 121.406-168.662 112.536-112.468 - 93.311 52.291 100.042-101.097 - 93.353 0.000 110.882 -81.396 - # 68 total E -8.36728E+01 rmsd from N 0.000 %NC 0.00 1 - 93.734 31.532 103.778 -77.635 - 93.282 170.667 145.514 -30.857 - 93.235 93.012 136.534-103.674 - 104.748 -49.053 133.746 -83.467 - 91.084 81.962 119.388-110.200 - 91.781 42.646 134.586 87.689 - 90.996 48.915 149.835-149.673 - 92.679 60.237 125.280-141.516 - 92.416 -75.218 143.877-124.548 - 111.280 -45.693 0.000 0.000 - 116.029 -73.152 0.000 0.000 - 93.186 64.163 128.211-150.599 - 93.646 127.111 114.786 -77.401 - 115.845 -84.474 128.166-155.018 - 96.051 66.279 0.000 0.000 - 127.096-102.099 110.457 -50.922 - 117.626-105.945 119.031-124.776 - 115.109-137.889 142.811-158.848 - 94.227 40.430 96.488 -99.267 - 93.414 0.000 118.085 -78.861 - # 69 total E -8.37775E+01 rmsd from N 0.000 %NC 0.00 1 - 93.867 77.153 144.984 -16.517 - 92.995 167.417 139.113 -39.190 - 110.820 170.347 120.345 -71.387 - 91.335 69.653 131.187-107.898 - 90.401 42.541 100.434 -99.783 - 91.535 49.438 145.826 35.802 - 91.201 42.792 143.553-140.071 - 92.664 75.876 136.400-134.913 - 92.475-110.610 139.014-123.240 - 94.552 122.265 0.000 0.000 - 134.085 -49.203 0.000 0.000 - 119.283 176.472 117.517-120.446 - 92.891 86.848 134.149-116.240 - 94.591 24.492 113.920 -77.311 - 97.316 73.395 0.000 0.000 - 126.110 -85.439 129.264 -97.795 - 119.086-116.321 101.138 -98.587 - 112.086-166.653 119.380-126.896 - 93.824 68.302 132.129-158.659 - 93.314 0.000 114.091 -77.336 - # 70 total E -8.55390E+01 rmsd from N 0.000 %NC 0.00 1 - 93.676 103.354 154.476 -26.137 - 93.195 127.034 138.927 -27.918 - 130.191-101.175 94.864 -97.742 - 92.972 54.804 157.665-141.304 - 90.467 43.260 110.084 -35.374 - 90.831 53.739 150.336 93.284 - 90.674 53.358 139.789-118.360 - 92.249 84.775 133.503-133.431 - 93.874-107.902 148.326-156.507 - 140.026 -71.205 0.000 0.000 - 94.271 38.628 0.000 0.000 - 92.446 51.307 97.790 -96.686 - 93.332 -56.175 113.273 -74.485 - 129.767-167.001 119.872 -78.450 - 114.190 161.614 0.000 0.000 - 129.379 -72.098 118.141-118.448 - 115.768-104.747 115.035-122.899 - 119.970-148.147 111.263-110.583 - 93.332 47.388 103.185-117.031 - 93.369 0.000 113.929 -79.825 - # 71 total E -8.48249E+01 rmsd from N 0.000 %NC 0.00 1 - 93.666 68.456 153.195 -31.574 - 92.882 111.656 142.003 -42.587 - 129.904 -98.055 90.207-102.346 - 91.851 55.710 145.274-101.319 - 90.425 39.084 109.313 -71.375 - 90.972 58.464 150.696 39.525 - 90.311 40.846 148.661-151.339 - 91.977 68.953 130.984-137.593 - 91.721 -87.920 139.513-125.377 - 94.802 160.489 0.000 0.000 - 140.980 -35.854 0.000 0.000 - 90.061 58.997 96.725-101.118 - 90.199 34.941 110.272 -80.606 - 94.547-115.554 108.776 -75.217 - 95.827 157.963 0.000 0.000 - 130.679 -81.135 131.854 -53.350 - 118.248-107.604 117.630-123.461 - 119.399-138.173 110.704-111.018 - 93.307 72.299 100.091-105.172 - 93.311 0.000 112.468 -78.115 - # 72 total E -8.55969E+01 rmsd from N 0.000 %NC 0.00 1 - 93.803 106.885 148.885 -17.779 - 93.113 129.207 138.841 -26.120 - 124.465 -96.264 94.095 -93.926 - 91.591 55.019 143.974-108.623 - 89.938 42.473 119.108 -87.544 - 90.722 64.988 116.964 -27.451 - 90.172 38.692 160.543-120.269 - 91.864 76.581 80.593 -74.382 - 92.783 -73.767 142.143-114.124 - 96.139 177.657 0.000 0.000 - 141.979 -29.861 0.000 0.000 - 121.257 163.828 116.307-119.695 - 93.441 97.035 132.024-121.350 - 93.585 -88.771 112.461 -77.390 - 94.681 158.627 0.000 0.000 - 125.372 -79.695 144.583 -50.208 - 116.687-144.974 114.358-120.733 - 126.532-171.378 110.813-106.366 - 93.467 71.396 92.529 -98.251 - 93.410 0.000 127.056-130.369 - # 73 total E -8.37512E+01 rmsd from N 0.000 %NC 0.00 1 - 93.952 106.605 142.229 -3.405 - 92.450 152.829 138.803 -22.733 - 90.340 90.007 99.279 -97.145 - 88.903 43.180 146.160-114.312 - 89.444 48.228 95.646 -58.402 - 90.621 48.130 129.328 64.153 - 90.211 48.453 137.639-113.578 - 90.615 49.890 132.718-136.310 - 92.114 175.864 141.494-123.946 - 94.918 136.606 0.000 0.000 - 126.357 -32.418 0.000 0.000 - 93.900 83.920 97.756 -98.883 - 125.956-106.401 121.254 -76.017 - 128.702 -92.583 122.154 -80.334 - 128.074-174.732 0.000 0.000 - 126.178 -87.845 104.281-112.328 - 118.307-109.274 124.942-134.244 - 121.575-141.686 109.222-106.912 - 117.114-119.241 116.609-119.588 - 121.867 0.000 121.722 -80.947 - # 74 total E -8.57684E+01 rmsd from N 0.000 %NC 0.00 1 - 93.838 95.141 147.282 -14.482 - 91.367 69.886 139.739 -53.418 - 90.438 60.465 123.374 106.589 - 89.337 47.926 149.520 -91.414 - 90.527 43.910 109.673 -61.065 - 90.532 51.688 152.964 57.384 - 90.412 42.939 138.354-141.791 - 92.108 67.388 134.445-136.575 - 91.010 -67.294 140.602-118.306 - 110.043 -62.941 0.000 0.000 - 112.421 -67.870 0.000 0.000 - 92.233 67.297 131.843-157.724 - 93.206 110.856 113.393 -76.464 - 92.507 -55.667 116.755 -81.769 - 111.007 -25.500 0.000 0.000 - 129.192 -84.467 93.735 -62.720 - 116.096-110.303 116.284-123.575 - 120.389-148.593 109.638-108.518 - 93.611 67.969 103.815-108.283 - 93.315 0.000 114.080 -77.353 - # 75 total E -8.66237E+01 rmsd from N 0.000 %NC 0.00 1 - 93.868 118.596 146.863 -12.525 - 91.287 86.682 131.303 -3.453 - 89.782 50.964 92.818 -90.893 - 89.093 44.359 149.197 -98.825 - 89.388 47.894 126.272-137.448 - 90.390 48.903 130.462 18.888 - 90.117 42.880 133.001-145.221 - 92.306 83.700 132.171-135.430 - 91.411 -91.990 141.495-130.549 - 96.180 53.168 0.000 0.000 - 147.702 -86.501 0.000 0.000 - 119.150 -81.708 109.080-108.713 - 91.016 90.585 133.852-143.210 - 94.187 33.768 107.663 -78.261 - 96.124 72.160 0.000 0.000 - 125.820 -84.019 103.963 -58.479 - 117.150-108.304 115.265-120.010 - 119.085-139.190 113.829-114.188 - 93.548 76.691 131.609-155.083 - 93.300 0.000 112.554 -77.411 - # 76 total E -8.70516E+01 rmsd from N 0.000 %NC 0.00 1 - 93.899 122.586 146.187 -8.327 - 91.533 85.209 138.050 -28.021 - 91.271 47.736 127.570 112.688 - 90.410 41.875 149.675 -95.761 - 90.054 49.617 120.186 -29.848 - 90.283 44.236 164.547 39.702 - 90.270 55.644 135.327-127.560 - 90.704 45.004 136.020-123.570 - 92.051-119.461 110.010 -80.104 - 95.306 154.693 0.000 0.000 - 130.718 -60.943 0.000 0.000 - 101.732 168.601 106.547 -96.565 - 93.803 131.689 129.993-160.396 - 115.829 -73.738 115.551 -80.759 - 95.409 74.619 0.000 0.000 - 129.576 -83.467 92.809 -63.747 - 117.638-107.023 121.097-128.585 - 120.414-136.176 110.718-108.307 - 92.774 88.737 100.629-112.411 - 93.258 0.000 108.367 -77.927 - # 77 total E -8.49045E+01 rmsd from N 0.000 %NC 0.00 1 - 93.733 -7.086 96.264 -84.073 - 92.345 169.721 141.466 -25.073 - 91.926 68.568 118.152 124.115 - 91.283 35.549 153.289 -99.080 - 90.501 51.658 110.862 -28.208 - 90.882 41.275 156.001 105.941 - 90.653 65.663 132.382-101.488 - 90.827 28.523 138.570-121.376 - 92.671-118.372 101.556 -75.142 - 92.912 145.987 0.000 0.000 - 93.453 47.810 0.000 0.000 - 89.252 50.389 103.673-115.957 - 90.082 44.404 111.367 -77.614 - 94.351-117.249 110.077 -76.888 - 94.443 152.917 0.000 0.000 - 130.241 -74.860 138.160 -65.195 - 116.194-105.112 127.009-138.481 - 120.862-119.157 107.810-105.555 - 93.069 78.136 99.054-106.605 - 93.271 0.000 110.361 -77.679 - # 78 total E -8.55860E+01 rmsd from N 0.000 %NC 0.00 1 - 93.920 120.365 144.535 -9.128 - 91.545 83.356 132.339 -21.629 - 92.285 40.258 135.668 113.231 - 91.428 46.583 145.596 -93.910 - 90.478 48.201 117.641-123.966 - 92.354 67.830 133.209 -13.302 - 91.334 118.948 144.555-160.119 - 95.989 -64.104 129.573-139.151 - 128.699 -60.773 107.707 -78.391 - 95.749 69.040 0.000 0.000 - 92.767 42.580 0.000 0.000 - 89.449 51.514 92.253 -68.474 - 89.725 70.387 117.985 -75.231 - 93.688 20.513 112.900 -78.723 - 96.827 74.497 0.000 0.000 - 137.330 -65.405 160.273-127.363 - 116.948-104.074 111.271-119.698 - 119.594-139.861 116.165-116.247 - 93.597 76.573 129.745-153.238 - 93.300 0.000 112.509 -77.507 - # 79 total E -8.96055E+01 rmsd from N 0.000 %NC 0.00 1 - 93.982 125.734 142.700 -3.072 - 91.457 89.683 135.875 -17.850 - 91.199 46.635 126.464 96.977 - 89.930 44.917 146.889 -90.327 - 89.976 47.172 121.549-129.261 - 90.161 50.310 157.901 41.014 - 90.383 41.726 145.747-133.742 - 92.107 68.966 131.452-135.199 - 91.137 -60.725 136.877-118.272 - 113.734 -63.728 0.000 0.000 - 101.064 -21.838 0.000 0.000 - 93.296 95.146 95.974 -84.512 - 122.477 144.333 118.343 -80.670 - 95.125 -75.612 113.909 -77.063 - 93.531 63.584 0.000 0.000 - 128.159 -77.976 86.930 -64.275 - 117.412-104.577 124.989-133.256 - 122.475-141.438 109.014-107.966 - 93.065 60.002 92.396 -99.340 - 93.348 0.000 111.131 -80.942 - # 80 total E -8.56106E+01 rmsd from N 0.000 %NC 0.00 1 - 93.946 123.159 143.776 -6.906 - 91.517 87.153 134.945 -16.514 - 91.255 42.372 131.612 116.233 - 90.603 47.029 146.416 -92.102 - 89.879 46.847 121.907-129.335 - 90.542 48.668 133.695 -9.668 - 90.142 45.343 138.906-142.407 - 90.650 66.244 134.414-133.590 - 91.659-175.166 131.377-123.881 - 94.872 71.318 0.000 0.000 - 92.808 41.013 0.000 0.000 - 89.890 65.106 106.110 -98.476 - 89.395 125.028 133.350-104.762 - 91.500 -65.188 112.188-143.980 - 95.259 77.662 0.000 0.000 - 137.978 -89.388 89.443 -64.069 - 118.254-106.645 118.313-125.675 - 120.670-138.927 107.225-103.315 - 92.915 85.077 101.518-112.576 - 93.287 0.000 109.520 -78.466 - # 81 total E -8.72116E+01 rmsd from N 0.000 %NC 0.00 1 - 93.986 126.027 142.596 -2.558 - 91.454 89.544 135.738 -18.000 - 91.160 46.914 126.101 98.377 - 90.054 44.708 147.820 -91.056 - 90.078 46.652 121.596-128.520 - 90.282 50.511 158.744 39.976 - 90.408 41.776 145.227-129.856 - 92.070 68.780 131.676-135.349 - 91.124 -60.944 136.498-118.479 - 113.747 -63.514 0.000 0.000 - 101.076 -21.981 0.000 0.000 - 93.262 94.969 95.818 -83.435 - 122.118 144.220 118.158 -80.580 - 94.864 -75.326 113.543 -77.412 - 93.408 64.553 0.000 0.000 - 129.294 -76.934 88.601 -63.991 - 118.027-105.257 125.045-132.907 - 120.417-115.943 109.285-109.230 - 118.484-118.554 114.375-118.523 - 121.873 0.000 121.495 -81.066 - # 82 total E -8.63785E+01 rmsd from N 0.000 %NC 0.00 1 - 93.969 125.801 143.529 -3.243 - 91.460 89.967 135.288 -17.491 - 91.086 45.306 124.616 105.992 - 89.398 45.029 143.365 -87.900 - 89.696 48.678 121.268-131.419 - 89.592 54.133 133.561 57.041 - 90.159 36.648 140.611-172.632 - 92.482 58.279 127.331-131.281 - 92.531 -52.857 142.178-119.414 - 123.347 -65.164 0.000 0.000 - 123.421 -21.607 0.000 0.000 - 94.729 86.128 83.927 -83.086 - 135.652 -91.985 151.042 -0.716 - 123.781 -58.329 118.747 -80.001 - 95.504 72.064 0.000 0.000 - 117.568 -79.587 84.769 -64.445 - 116.456-112.316 112.500-114.624 - 120.565-145.401 134.123-143.900 - 92.693 74.697 101.138-100.896 - 93.322 0.000 110.121 -80.015 - # 83 total E -8.50909E+01 rmsd from N 0.000 %NC 0.00 1 - 93.888 121.407 146.511 -9.659 - 91.320 85.109 128.980 -15.483 - 90.928 44.302 93.501 -87.665 - 90.218 45.916 148.747 -97.597 - 90.001 42.460 122.228-127.391 - 91.351 51.691 134.235 21.887 - 90.589 36.326 132.235-158.679 - 92.484 67.018 131.418-134.183 - 92.456 -76.750 135.034-114.515 - 122.427 -2.382 0.000 0.000 - 135.758 -32.701 0.000 0.000 - 127.931-176.279 106.508-102.083 - 126.160 168.016 117.991 -81.329 - 119.747 -64.889 118.788 -78.252 - 94.757 71.672 0.000 0.000 - 120.985 -67.404 118.260-131.234 - 117.920-109.437 115.584-121.561 - 118.641-136.859 143.231-157.996 - 93.793 54.110 92.484 -93.436 - 93.347 0.000 114.972 -78.338 - # 84 total E -9.09006E+01 rmsd from N 0.000 %NC 0.00 1 - 93.914 124.016 145.895 -6.834 - 91.533 88.174 134.537 -24.718 - 91.776 44.265 123.685 104.099 - 90.119 45.809 141.339 -86.981 - 90.044 45.523 119.334-126.568 - 90.227 47.766 156.387 48.963 - 90.677 47.080 141.958 175.760 - 92.139 74.909 137.099-131.503 - 90.505 -66.679 136.265-130.355 - 103.078 -66.412 0.000 0.000 - 99.036 -33.117 0.000 0.000 - 92.643 102.122 133.645-159.189 - 94.186 126.709 113.390 -78.509 - 107.224 -87.543 120.683-155.640 - 94.934 59.926 0.000 0.000 - 128.258 -82.602 102.272 -59.633 - 116.489-106.780 125.233-134.345 - 122.138-149.685 110.050-108.685 - 92.887 56.951 99.878-105.312 - 93.346 0.000 112.023 -80.255 - # 85 total E -8.59238E+01 rmsd from N 0.000 %NC 0.00 1 - 93.944 108.769 140.336 -16.530 - 92.999 104.756 141.601 -36.337 - 129.110-112.754 96.388 -93.402 - 92.960 66.159 141.995-107.635 - 91.201 34.651 112.625 -91.661 - 92.226 55.383 131.957 41.387 - 90.992 36.906 133.187-160.575 - 92.206 62.729 136.856-133.583 - 91.389 -74.972 131.617-133.286 - 117.646 -64.074 0.000 0.000 - 125.529 -48.909 0.000 0.000 - 103.361 -27.388 96.161 -92.426 - 92.182 101.181 128.526 138.192 - 92.276 9.889 108.333 -77.942 - 119.394 -14.564 0.000 0.000 - 126.053 -82.534 85.835 -62.146 - 116.078-108.183 117.827-122.872 - 117.023-142.491 141.458-155.825 - 93.242 54.249 94.775 -95.460 - 93.359 0.000 111.797 -80.981 - # 86 total E -8.92478E+01 rmsd from N 0.000 %NC 0.00 1 - 93.867 120.776 147.399 -11.441 - 91.446 88.621 130.134 -16.332 - 90.554 47.980 93.538 -85.786 - 89.270 46.027 143.807 -95.423 - 89.255 50.171 122.453-131.939 - 89.325 49.465 154.914 37.303 - 90.703 63.885 130.792 -54.193 - 91.632 102.849 133.590-133.256 - 91.165 -24.542 145.745-130.361 - 101.275 -71.579 0.000 0.000 - 98.682 -21.782 0.000 0.000 - 93.334 102.681 134.275-157.495 - 94.173 113.219 119.595 -75.258 - 120.902-100.098 118.069 -84.237 - 95.353 64.009 0.000 0.000 - 126.789 -87.504 99.219 -62.449 - 116.862-110.625 119.580-126.938 - 121.349-147.136 111.613-109.778 - 92.289 77.983 104.702-112.238 - 93.326 0.000 108.159 -81.506 - # 87 total E -8.34793E+01 rmsd from N 0.000 %NC 0.00 1 - 94.022 128.330 141.543 2.030 - 91.302 91.264 132.471 -13.605 - 90.543 49.696 127.241 102.810 - 89.812 44.168 148.879 -97.124 - 89.604 49.952 121.680-132.252 - 89.818 68.772 130.870 31.748 - 89.358 59.170 142.223-174.092 - 89.893 37.659 78.661 -86.795 - 93.440 -98.199 137.730-114.503 - 122.695 -68.677 0.000 0.000 - 105.694 -32.787 0.000 0.000 - 92.105 -47.911 93.634 -81.365 - 92.444 92.927 114.497 -75.320 - 132.726-105.182 119.271 -82.784 - 97.088 168.271 0.000 0.000 - 129.464 -81.939 122.891 -63.039 - 119.459-108.217 115.413-120.281 - 119.011-142.149 115.251-116.733 - 93.586 49.287 98.764-101.318 - 93.364 0.000 114.376 -79.419 - # 88 total E -8.80504E+01 rmsd from N 0.000 %NC 0.00 1 - 93.905 122.961 146.040 -7.973 - 91.271 86.112 128.127 -14.459 - 90.838 47.729 96.785 -90.203 - 89.753 44.556 151.208 -97.054 - 90.122 46.985 123.243-125.633 - 91.237 48.287 120.576 63.229 - 90.816 43.402 128.057-145.428 - 91.854 56.058 134.141-134.553 - 93.176-177.056 141.738-133.864 - 133.936 -69.778 0.000 0.000 - 111.414 -6.370 0.000 0.000 - 91.016 72.469 100.952 -97.126 - 90.200 -0.320 107.600 -76.380 - 107.942-135.295 103.641 -75.604 - 94.724 122.635 0.000 0.000 - 120.236 -71.273 140.725 -43.524 - 114.733-132.017 90.828 -82.932 - 106.792-172.656 130.361-146.446 - 93.303 50.053 108.697-108.201 - 93.346 0.000 113.343 -79.371 - # 89 total E -8.78989E+01 rmsd from N 0.000 %NC 0.00 1 - 93.851 106.272 146.668 -11.934 - 91.529 80.012 138.697 -27.518 - 90.826 44.583 134.310 115.328 - 89.973 49.287 140.603 -88.113 - 89.596 42.873 120.888-129.608 - 90.056 49.663 138.681 -14.460 - 90.291 43.422 140.998 179.413 - 91.454 72.150 136.199-132.501 - 90.659 -55.542 134.280-129.189 - 115.673 -70.218 0.000 0.000 - 107.946 -20.841 0.000 0.000 - 108.984-144.747 95.027 -77.941 - 126.217-139.950 122.025 -79.279 - 93.762 36.100 115.717 -76.258 - 95.170 64.070 0.000 0.000 - 111.363 -63.300 154.692 -9.958 - 118.356-112.224 109.614-114.025 - 121.748-141.770 113.806-112.853 - 116.202-118.271 133.108-144.714 - 121.709 0.000 121.560 -80.712 - # 90 total E -8.70078E+01 rmsd from N 0.000 %NC 0.00 1 - 93.883 121.298 146.750 -10.069 - 91.354 85.953 128.597 -17.018 - 91.029 45.502 93.859 -87.743 - 90.389 44.786 147.544 -96.760 - 90.148 43.254 119.931-126.069 - 91.180 48.625 141.457 27.515 - 90.318 44.393 130.678-159.186 - 91.849 75.511 136.490-133.878 - 90.925 -97.103 138.690-123.685 - 95.869 56.145 0.000 0.000 - 150.847 -70.371 0.000 0.000 - 128.312 172.298 108.805-103.788 - 124.880 165.721 122.112 -80.349 - 118.474 -63.002 117.783 -79.689 - 94.529 73.865 0.000 0.000 - 121.758 -71.929 69.438 -75.052 - 117.176-109.106 116.805-122.689 - 118.755-136.468 143.539-158.114 - 93.559 62.869 91.793 -94.369 - 93.332 0.000 112.892 -79.007 - # 91 total E -8.58632E+01 rmsd from N 0.000 %NC 0.00 1 - 93.698 85.927 151.179 -31.160 - 93.028 125.252 142.799 -39.619 - 128.750 -97.135 95.895-105.205 - 92.021 52.139 149.659-103.249 - 90.482 39.264 104.513 -45.075 - 91.946 52.187 162.122 112.787 - 90.671 44.459 145.908-106.275 - 92.178 77.103 137.862-136.986 - 91.607 -68.398 144.314-133.971 - 118.919 -22.016 0.000 0.000 - 117.315 -45.905 0.000 0.000 - 96.094 -41.673 91.511 -87.741 - 90.965 111.918 138.915 -34.319 - 95.197 24.034 112.600 -80.418 - 96.497 68.980 0.000 0.000 - 126.857 -83.720 116.743-126.651 - 116.125-107.300 122.571-133.558 - 112.987-135.226 100.488 -84.239 - 93.492 83.208 127.956-149.956 - 93.280 0.000 110.974 -77.249 - # 92 total E -8.74439E+01 rmsd from N 0.000 %NC 0.00 1 - 93.931 109.234 143.828 -0.531 - 92.493 157.230 137.042 -24.708 - 90.568 93.124 116.262-105.925 - 89.420 48.740 145.447-114.543 - 89.003 47.398 108.446 -70.144 - 90.014 54.045 123.733 43.602 - 89.627 53.078 134.087-151.356 - 89.750 48.101 129.623-134.111 - 91.580 166.562 140.278-118.185 - 95.435 97.677 0.000 0.000 - 132.938 -52.809 0.000 0.000 - 93.982 79.887 132.263-155.194 - 94.577 -57.815 118.710 -76.151 - 135.543-158.887 125.813 -80.209 - 115.614 171.103 0.000 0.000 - 132.014 -79.661 106.448-110.867 - 117.007-105.382 121.696-130.530 - 121.283-146.218 109.584-107.629 - 93.377 49.876 99.287-106.517 - 93.362 0.000 113.350 -80.026 - # 93 total E -8.40798E+01 rmsd from N 0.000 %NC 0.00 1 - 93.725 -2.430 105.196 -81.914 - 108.344 178.809 161.713 -21.697 - 93.809 85.139 176.393 179.418 - 91.647 46.527 137.750 -83.643 - 90.436 46.674 121.805-108.615 - 90.478 48.270 98.511-134.765 - 90.372 42.304 141.640-170.178 - 91.888 50.235 134.485-126.914 - 92.687 -77.743 116.327 -78.718 - 130.138 -3.251 0.000 0.000 - 138.764 -28.711 0.000 0.000 - 112.520-147.612 89.323 -66.650 - 92.303 89.933 142.334 -17.033 - 93.071 24.147 114.884 -75.301 - 96.301 65.400 0.000 0.000 - 120.392 -86.729 125.893 -87.388 - 117.510-110.602 117.150-124.450 - 118.872-144.392 111.505-110.387 - 93.617 52.985 128.352-150.410 - 93.361 0.000 112.094 -80.821 - # 94 total E -8.47179E+01 rmsd from N 0.000 %NC 0.00 1 - 93.890 121.509 144.490 -18.295 - 116.553-177.965 144.181 -17.904 - 108.131-164.943 104.217 -94.216 - 90.905 61.191 140.727-101.708 - 89.394 41.543 121.102-120.288 - 90.665 59.286 127.289 25.663 - 90.200 34.963 145.079-162.186 - 92.241 64.272 126.930-136.068 - 92.134 -56.119 136.877-117.297 - 119.677 -56.280 0.000 0.000 - 123.974 -37.222 0.000 0.000 - 110.745 160.628 90.739 -78.163 - 93.037 80.765 136.180 135.172 - 120.560 -42.883 116.165 -75.865 - 94.662 86.995 0.000 0.000 - 115.484 -65.662 122.880-120.974 - 118.331-109.283 116.977-124.003 - 119.915-143.194 107.368-105.374 - 93.100 73.547 103.537-119.099 - 93.312 0.000 112.087 -78.365 - # 95 total E -8.52294E+01 rmsd from N 0.000 %NC 0.00 1 - 93.884 124.564 147.801 -6.928 - 91.300 91.872 130.879 -1.742 - 90.583 45.233 95.551 -79.642 - 90.526 57.248 142.180-116.115 - 90.203 60.782 129.200 8.488 - 90.148 73.603 95.456 -64.144 - 91.415 161.581 154.031-106.159 - 92.295 96.482 126.997-128.655 - 91.612 -69.179 104.077 -83.220 - 94.712 164.956 0.000 0.000 - 136.642 -55.820 0.000 0.000 - 118.895-175.674 118.677-121.570 - 93.767 108.913 114.752 -77.298 - 122.263-100.118 114.323 -80.586 - 95.751 92.461 0.000 0.000 - 128.160 -80.036 89.892 -63.469 - 116.723-108.422 120.345-127.868 - 120.767-120.140 109.080-105.283 - 92.688 77.751 98.298-114.417 - 93.282 0.000 109.232 -78.948 - # 96 total E -8.93164E+01 rmsd from N 0.000 %NC 0.00 1 - 93.712 97.000 108.556 -80.349 - 113.444 178.271 152.910 -16.909 - 92.827 74.404 142.660 112.251 - 89.878 48.480 146.991 -97.835 - 89.335 45.125 111.820 -68.347 - 90.423 51.941 157.269 -7.009 - 90.526 42.301 135.800-162.753 - 91.658 72.492 103.381 -98.843 - 90.794 -60.005 130.531-136.438 - 108.716 -69.573 0.000 0.000 - 101.033 -26.796 0.000 0.000 - 92.990 100.198 138.666-165.246 - 93.335 107.388 115.435 -78.730 - 124.001 -87.506 130.890-159.357 - 95.583 73.720 0.000 0.000 - 124.991 -80.160 132.077 -85.010 - 118.760-110.863 116.459-122.613 - 120.408-147.158 110.876-110.718 - 93.050 85.724 101.135-108.093 - 93.428 0.000 119.474-131.425 - # 97 total E -8.72107E+01 rmsd from N 0.000 %NC 0.00 1 - 93.710 9.902 103.488 -81.511 - 92.973 161.860 144.433 -14.048 - 91.413 78.279 142.948 87.045 - 90.848 41.793 149.424 -95.189 - 90.409 48.555 120.318 -59.343 - 91.438 48.894 132.564 44.154 - 90.718 41.127 138.746-122.503 - 91.964 57.055 130.946-132.838 - 92.672 -82.915 133.058-127.112 - 123.618 -63.531 0.000 0.000 - 129.748 -40.594 0.000 0.000 - 106.505 -28.470 92.792 -82.331 - 91.577 98.633 134.592 148.552 - 92.236 4.893 104.603 -79.671 - 120.777 -14.180 0.000 0.000 - 120.063 -78.661 93.759 -56.115 - 116.233-107.426 121.226-125.570 - 119.333-132.752 124.302-127.780 - 92.805 58.936 97.256-102.383 - 93.349 0.000 111.949 -80.411 - # 98 total E -8.61917E+01 rmsd from N 0.000 %NC 0.00 1 - 93.782 101.065 149.559 -19.438 - 92.065 134.836 120.335 -43.488 - 90.638 56.876 83.602 -94.611 - 90.650 42.665 143.475 -93.620 - 89.675 48.924 127.156-149.837 - 89.865 50.840 131.766 -8.994 - 90.314 44.407 149.360-125.741 - 91.724 71.708 129.794-136.255 - 91.662 -95.570 133.456-121.861 - 94.372 129.873 0.000 0.000 - 134.075 -22.417 0.000 0.000 - 111.037-145.774 92.268 -84.043 - 93.793 113.337 115.608 -76.596 - 113.560-108.131 112.663 -80.569 - 124.367 176.849 0.000 0.000 - 127.446 -79.895 130.484-114.547 - 116.466-107.519 122.923-133.259 - 121.874-146.344 107.996-105.152 - 92.881 71.990 107.000-113.694 - 93.318 0.000 111.074 -79.601 - # 99 total E -8.69653E+01 rmsd from N 0.000 %NC 0.00 1 - 93.904 117.551 144.318 -9.729 - 91.464 81.855 130.757 -18.735 - 92.240 38.318 140.017 112.411 - 91.468 49.424 143.832 -87.807 - 90.264 41.440 119.180-126.024 - 91.145 51.539 124.469 -23.089 - 91.100 34.777 149.807-146.107 - 93.078 60.113 132.826-132.225 - 92.895 -61.881 134.636-126.374 - 121.875-127.720 0.000 0.000 - 119.088 -28.882 0.000 0.000 - 92.485 67.613 134.207-160.104 - 92.875 63.099 111.630 -76.162 - 97.081-102.623 110.961 -78.461 - 94.361 133.477 0.000 0.000 - 132.045 -65.696 176.452-170.133 - 115.541-102.803 111.025-119.428 - 119.036-140.113 112.949-112.330 - 93.757 76.840 126.822-150.578 - 93.328 0.000 111.932 -77.861 - # 100 total E -8.84151E+01 rmsd from N 0.000 %NC 0.00 1 - 93.922 124.508 145.616 -5.901 - 91.276 86.155 128.396 -17.751 - 91.269 45.127 98.510 -88.806 - 90.226 44.750 150.731 -96.493 - 90.410 44.646 121.929-123.675 - 91.935 50.518 124.508 71.969 - 91.438 38.915 130.800-147.335 - 93.734 79.176 132.431-131.912 - 121.842-102.282 155.912-165.997 - 136.181 -64.176 0.000 0.000 - 140.525 -30.026 0.000 0.000 - 104.774 -32.089 94.391 -85.230 - 90.970 99.892 113.955 -75.894 - 91.979 -16.949 106.674 -79.081 - 117.696 -30.753 0.000 0.000 - 127.428 -70.785 138.989 -58.809 - 118.902-121.686 102.518-102.476 - 115.093-170.177 126.526-136.136 - 93.437 65.604 106.089-105.678 - 93.414 0.000 126.192-136.617 - # 101 total E -8.82070E+01 rmsd from N 0.000 %NC 0.00 1 - 93.980 125.945 142.922 -2.802 - 91.442 91.279 134.988 -16.128 - 90.891 45.583 124.288 98.825 - 89.618 47.837 143.150 -90.310 - 89.549 44.832 122.696-135.317 - 89.773 55.277 126.410 24.431 - 89.940 35.242 144.470 176.132 - 92.158 62.699 127.554-132.386 - 92.075 -52.920 135.099-113.753 - 121.467 -68.268 0.000 0.000 - 119.721 -22.159 0.000 0.000 - 110.757 162.269 83.731 -78.812 - 93.879 82.040 124.260 74.048 - 116.607 -40.319 119.942 -76.732 - 94.678 85.754 0.000 0.000 - 115.728 -72.467 114.669-115.612 - 119.589-110.493 118.240-124.722 - 119.143-140.127 109.008-108.394 - 93.222 73.452 99.484-104.723 - 93.311 0.000 112.143 -78.304 - # 102 total E -8.64347E+01 rmsd from N 0.000 %NC 0.00 1 - 93.864 108.793 146.639 -10.547 - 91.469 75.051 139.558 -34.014 - 91.396 45.808 123.461 121.551 - 90.931 42.658 148.747 -98.077 - 89.951 46.915 118.218-114.792 - 90.629 59.356 176.417 18.024 - 89.994 43.399 143.522-144.945 - 91.619 79.931 102.654-110.901 - 92.193 -61.752 143.580-127.171 - 120.062 -22.806 0.000 0.000 - 117.515 -47.395 0.000 0.000 - 95.981 -40.247 93.427 -91.626 - 91.062 112.414 138.017 -48.284 - 95.190 25.685 113.576 -80.081 - 96.359 64.674 0.000 0.000 - 122.523 -83.143 111.174-126.881 - 115.690-106.874 123.557-134.674 - 113.110-138.939 100.031 -90.546 - 117.154-113.763 126.949-135.373 - 94.641 0.000 116.391 -77.619 - # 103 total E -8.90087E+01 rmsd from N 0.000 %NC 0.00 1 - 93.921 122.241 144.701 -8.287 - 91.227 87.065 127.833 -10.059 - 90.584 48.947 132.489 103.403 - 89.603 47.041 149.024 -92.128 - 89.798 44.744 122.818-133.071 - 90.427 51.673 128.855 37.064 - 90.305 39.378 143.337-144.041 - 91.853 60.743 131.780-134.008 - 91.452 -70.562 132.030-126.589 - 118.134 -64.638 0.000 0.000 - 126.656 -48.406 0.000 0.000 - 103.153 -27.153 94.054 -90.746 - 92.104 101.048 129.905 148.244 - 92.369 12.758 109.021 -78.015 - 119.749 -15.137 0.000 0.000 - 122.155 -89.749 86.172 -63.947 - 117.944-113.168 114.495-117.781 - 115.298-142.492 136.916-151.975 - 93.423 51.250 100.424 -92.053 - 93.360 0.000 113.131 -80.212 - # 104 total E -9.25429E+01 rmsd from N 0.000 %NC 0.00 1 - 93.868 122.259 147.957 -9.469 - 91.469 84.908 129.430 -27.498 - 91.434 44.740 94.034 -85.011 - 90.719 43.936 146.648 -93.647 - 90.159 42.706 119.402-119.119 - 90.717 49.343 161.170 38.454 - 90.569 47.062 132.123-168.167 - 91.972 75.985 136.666-130.329 - 90.071 -65.210 133.269-134.812 - 101.909 -65.766 0.000 0.000 - 97.789 -33.575 0.000 0.000 - 92.787 104.702 140.532-169.918 - 94.360 105.051 113.362 -77.188 - 120.538 -95.347 118.685 -77.337 - 94.738 80.524 0.000 0.000 - 131.474 -71.209 127.282 -90.872 - 115.613-109.737 85.196 -96.046 - 117.449-155.705 113.820-116.793 - 93.687 59.051 104.767-112.380 - 93.418 0.000 125.420-142.743 - # 105 total E -8.63354E+01 rmsd from N 0.000 %NC 0.00 1 - 93.739 112.177 153.137 -18.182 - 93.040 125.265 134.677 -36.340 - 126.417 -97.091 94.957 -91.019 - 91.689 55.352 144.226-116.164 - 89.939 43.115 123.228 -89.250 - 90.323 65.991 118.225 -28.633 - 90.075 43.858 152.940-142.401 - 91.176 75.447 84.010 -77.397 - 91.805 -79.214 138.032-120.490 - 95.303 169.762 0.000 0.000 - 146.631 -45.986 0.000 0.000 - 133.480 170.323 103.814 -95.585 - 93.925 155.080 114.819 -76.873 - 120.874 -69.990 118.957 -81.970 - 95.188 61.702 0.000 0.000 - 119.991 -96.696 78.882 -74.160 - 118.500-117.154 115.350-120.311 - 115.352-114.076 140.267-156.981 - 93.916 49.328 87.725 -77.700 - 93.421 0.000 116.892 -79.975 - # 106 total E -8.39662E+01 rmsd from N 0.000 %NC 0.00 1 - 93.852 92.379 146.166 -15.461 - 91.478 65.298 119.307 -75.493 - 90.920 59.676 122.608-101.442 - 90.231 44.468 147.558-101.692 - 89.759 45.986 97.215 -65.516 - 90.411 53.598 131.669-111.158 - 89.415 52.051 128.456-161.581 - 90.589 42.940 128.633-129.034 - 92.396-108.860 107.689 -78.599 - 94.958 136.970 0.000 0.000 - 117.812 -23.680 0.000 0.000 - 119.359-140.912 107.597-103.972 - 93.756 156.208 115.369 -76.983 - 127.437-166.793 120.903 -82.514 - 94.535 64.703 0.000 0.000 - 114.970 -82.132 143.990 60.754 - 118.183-166.412 115.801-122.031 - 131.634-158.804 111.449-100.800 - 92.640 102.561 105.064-105.711 - 93.253 0.000 107.318 -76.925 - # 107 total E -8.92852E+01 rmsd from N 0.000 %NC 0.00 1 - 93.862 108.516 146.516 -12.125 - 91.537 80.500 138.153 -27.022 - 90.911 44.177 135.205 115.309 - 90.117 49.358 141.526 -88.248 - 89.632 42.952 120.856-129.399 - 90.075 50.018 137.198 -16.191 - 90.291 43.216 142.122-173.243 - 91.478 71.963 135.891-132.839 - 90.764 -55.324 134.374-130.266 - 116.123 -69.999 0.000 0.000 - 109.304 -22.154 0.000 0.000 - 109.376-145.185 95.457 -77.118 - 126.477-141.257 122.195 -79.519 - 93.910 35.689 115.752 -76.279 - 95.186 62.922 0.000 0.000 - 109.830 -60.752 153.706 -12.429 - 118.096-110.436 110.247-114.764 - 121.336-141.428 116.272-115.999 - 93.462 76.200 132.249-156.320 - 93.303 0.000 112.586 -77.525 - # 108 total E -8.63694E+01 rmsd from N 0.000 %NC 0.00 1 - 93.986 125.151 142.239 -3.931 - 91.487 90.064 135.377 -16.007 - 91.057 47.025 131.111 99.498 - 90.349 42.545 148.566 -98.134 - 90.401 51.354 122.224-126.375 - 91.841 51.874 134.873 18.581 - 91.621 117.450 138.185-123.253 - 87.764 -38.677 111.247-121.196 - 90.583 -55.795 141.672-123.693 - 95.273 3.521 0.000 0.000 - 114.873 -46.054 0.000 0.000 - 92.409 -37.250 95.640 -95.940 - 92.973 96.337 113.961 -76.433 - 132.234-114.954 117.107 -84.620 - 95.470 162.902 0.000 0.000 - 127.799 -76.148 120.463 -61.769 - 117.805-105.021 119.334-126.391 - 118.212-136.588 109.348-110.220 - 117.981-118.676 122.318-128.804 - 121.886 0.000 121.577 -81.038 - # 109 total E -8.50805E+01 rmsd from N 0.000 %NC 0.00 1 - 93.927 120.200 143.965 -9.764 - 91.482 86.663 131.821 -16.265 - 91.517 43.509 139.385 103.447 - 91.002 46.711 144.313 -92.858 - 90.341 43.450 120.319-127.605 - 91.087 59.520 130.066 -11.666 - 90.751 57.961 154.665-147.254 - 90.969 99.300 84.535 -80.526 - 91.667 -23.755 140.430-141.328 - 99.990 -69.538 0.000 0.000 - 96.057 -24.631 0.000 0.000 - 92.572 104.507 109.495-111.480 - 94.319 129.076 123.338-124.266 - 127.748 -84.016 122.200-153.574 - 116.278 39.180 0.000 0.000 - 103.779 -74.257 107.854 -89.378 - 116.904-114.985 119.988-127.716 - 117.483-141.047 142.995-157.628 - 92.537 80.450 101.034-100.738 - 93.306 0.000 110.005 -79.189 - # 110 total E -8.48303E+01 rmsd from N 0.000 %NC 0.00 1 - 93.705 16.895 104.860 -81.553 - 92.973 168.398 150.675 -25.201 - 92.607 80.788 174.698 169.318 - 91.816 52.596 138.101 -85.512 - 90.604 44.536 126.435 -80.183 - 90.476 45.945 99.044-129.512 - 90.650 51.981 130.703-167.435 - 91.305 39.323 142.906-126.737 - 92.077-109.769 108.063 -77.414 - 94.165 147.572 0.000 0.000 - 114.692 -21.408 0.000 0.000 - 103.062 164.640 97.551-102.569 - 94.450 83.999 114.377 -77.568 - 93.132 -81.847 114.535 -77.058 - 93.393 145.402 0.000 0.000 - 129.772 -72.783 146.991-104.298 - 115.958-101.805 120.253-130.179 - 120.289-138.683 106.904-103.717 - 93.904 48.287 103.257-119.973 - 93.351 0.000 117.627 -76.828 - # 111 total E -8.56247E+01 rmsd from N 0.000 %NC 0.00 1 - 93.772 93.826 148.307 -25.367 - 92.933 127.402 141.504 -42.275 - 129.916 -97.119 96.940-102.441 - 92.324 50.175 150.786-105.523 - 90.724 42.468 106.697 -65.667 - 91.817 46.324 153.033 102.655 - 90.676 68.811 137.576-106.698 - 91.122 26.519 135.834-116.903 - 92.676-115.778 102.241 -75.402 - 92.571 148.361 0.000 0.000 - 93.522 47.905 0.000 0.000 - 88.982 50.388 107.353-119.415 - 89.764 41.495 111.437 -77.462 - 94.600-120.563 109.969 -76.602 - 94.561 152.822 0.000 0.000 - 130.383 -82.544 137.041 -72.119 - 117.441-107.828 119.574-127.310 - 120.614-146.741 111.389-111.001 - 92.849 84.961 97.733-102.305 - 93.423 0.000 120.381-130.281 - # 112 total E -8.66879E+01 rmsd from N 0.000 %NC 0.00 1 - 93.939 107.306 143.198 -1.988 - 92.518 157.735 137.793 -24.439 - 90.460 89.222 116.815-109.565 - 89.508 45.466 145.185-109.619 - 89.343 45.942 97.959 -60.895 - 90.238 57.821 127.382 61.673 - 90.237 39.800 140.404-152.502 - 92.178 64.345 129.399-133.345 - 92.672 -39.967 143.018-155.894 - 114.277-158.979 0.000 0.000 - 94.064 45.873 0.000 0.000 - 90.402 48.164 97.858 -96.939 - 90.489 43.040 112.326 -81.411 - 94.452 179.024 113.728 -76.546 - 94.746 122.728 0.000 0.000 - 128.640 -94.794 111.437 -96.032 - 119.029-108.365 122.799-130.941 - 119.856-143.444 110.851-110.029 - 93.396 56.536 99.493-102.715 - 93.344 0.000 113.269 -79.349 - # 113 total E -8.51203E+01 rmsd from N 0.000 %NC 0.00 1 - 93.988 125.093 142.078 -3.921 - 91.383 90.873 133.391 -11.247 - 90.362 51.996 129.908 104.388 - 89.685 40.729 148.665 -91.137 - 89.926 52.773 121.302-130.807 - 89.867 56.799 136.449 47.096 - 89.465 52.721 139.990-142.702 - 89.635 52.231 124.399-137.515 - 91.690-170.919 140.451-121.611 - 95.859 117.682 0.000 0.000 - 107.595 -16.288 0.000 0.000 - 92.791 106.852 95.699 -56.272 - 92.339 107.647 117.230 -76.419 - 92.337 -38.582 114.448 -77.754 - 96.295 89.099 0.000 0.000 - 134.870 -80.344 122.884-117.234 - 120.933-105.701 116.903-122.031 - 119.616-144.690 108.778-107.924 - 92.579 82.227 107.017-122.081 - 93.317 0.000 109.071 -79.947 - # 114 total E -8.40939E+01 rmsd from N 0.000 %NC 0.00 1 - 93.857 117.328 147.120 -13.751 - 91.357 88.176 130.107 -3.359 - 90.185 52.794 93.020 -91.743 - 88.943 45.150 145.523 -95.920 - 88.900 54.996 123.919-139.895 - 89.184 61.490 125.521 36.626 - 89.163 46.862 132.183 -66.887 - 90.570 58.927 133.225-136.583 - 91.882 176.727 142.691-132.051 - 141.592 -46.705 0.000 0.000 - 92.568 51.161 0.000 0.000 - 91.021 53.416 95.610 -96.362 - 92.491 -68.440 108.607 -76.420 - 123.064 -70.272 116.094 -78.658 - 117.870 -33.664 0.000 0.000 - 108.080-105.585 126.554 37.253 - 115.532-114.692 94.579 -84.761 - 113.404-166.332 124.574-133.927 - 93.447 69.888 139.974-167.874 - 93.311 0.000 114.249 -77.043 - # 115 total E -8.49170E+01 rmsd from N 0.000 %NC 0.00 1 - 93.711 27.198 105.910 -80.498 - 92.964 170.204 152.440 -23.300 - 92.359 79.010 175.613-177.540 - 91.803 51.263 139.286 -86.024 - 90.500 43.615 125.640 -79.797 - 90.680 50.667 100.208-128.555 - 90.082 47.156 140.507-161.544 - 90.764 70.436 137.241-131.913 - 91.977-158.238 138.105-124.714 - 95.043 74.815 0.000 0.000 - 92.674 42.711 0.000 0.000 - 90.229 74.791 101.642-100.103 - 90.933 147.483 125.391-142.397 - 93.353 -61.399 114.702 -78.459 - 95.217 60.470 0.000 0.000 - 124.707-102.278 123.062 -42.776 - 118.069-109.369 112.363-114.470 - 116.661-138.075 115.914-119.138 - 93.247 94.717 130.906-154.949 - 93.212 0.000 106.725 -76.591 - # 116 total E -8.95271E+01 rmsd from N 0.000 %NC 0.00 1 - 93.999 125.577 141.728 -3.040 - 91.444 90.359 137.312 -13.757 - 90.214 48.346 127.784 113.218 - 89.380 43.582 149.646 -92.999 - 89.735 48.472 123.743-132.955 - 89.839 49.333 155.974 34.951 - 90.379 43.091 137.467-137.268 - 92.365 72.852 131.775-135.788 - 91.149 -65.988 138.161-117.806 - 108.043 -56.522 0.000 0.000 - 115.317 -52.664 0.000 0.000 - 93.187 83.225 139.009-166.206 - 92.696 112.405 112.639 -76.768 - 93.749 -72.035 134.804-160.094 - 96.904 82.799 0.000 0.000 - 131.750 -88.511 136.934 -39.912 - 120.439-108.756 118.678-122.547 - 120.213-139.963 113.201-113.642 - 93.296 68.677 99.153-103.732 - 93.320 0.000 112.444 -78.654 - # 117 total E -9.14048E+01 rmsd from N 0.000 %NC 0.00 1 - 93.863 103.676 146.554 -11.014 - 91.405 72.158 139.082 -38.499 - 91.182 46.208 122.960 120.890 - 90.144 45.178 146.912 -94.508 - 89.923 46.666 117.442-122.476 - 91.018 45.676 156.348 14.811 - 90.953 46.055 135.285-139.496 - 92.206 74.468 137.004-129.642 - 90.319 -68.674 129.317-137.116 - 106.187 -70.513 0.000 0.000 - 99.211 -24.370 0.000 0.000 - 93.643 104.005 133.626-156.024 - 93.827 90.389 116.712 -75.960 - 125.108 -93.776 119.410 -77.698 - 94.953 86.670 0.000 0.000 - 132.835 -70.055 138.084-112.499 - 119.469-111.935 107.682-112.989 - 121.007-149.264 112.933-112.572 - 93.012 86.829 103.407-110.075 - 93.432 0.000 118.757-132.497 - # 118 total E -8.53196E+01 rmsd from N 0.000 %NC 0.00 1 - 118.441 -80.488 109.243 -78.001 - 116.630-105.688 144.790 -36.176 - 91.146 56.989 129.298 102.576 - 89.888 44.013 141.543 -92.725 - 89.761 47.261 122.717-103.447 - 90.012 53.653 128.783 30.013 - 90.062 35.726 139.695 175.787 - 92.293 61.404 128.300-130.993 - 92.144 -57.397 134.982-112.382 - 121.419 -65.841 0.000 0.000 - 119.429 -21.614 0.000 0.000 - 111.263 163.571 82.956 -77.558 - 93.952 82.406 124.799 71.496 - 116.761 -39.669 120.365 -76.486 - 94.727 85.314 0.000 0.000 - 115.458 -73.312 114.147-116.536 - 119.580-110.907 118.254-124.778 - 119.044-139.940 108.719-107.994 - 93.216 73.582 99.141-105.393 - 93.323 0.000 112.084 -78.382 - # 119 total E -8.85579E+01 rmsd from N 0.000 %NC 0.00 1 - 115.830 -50.712 110.294 -81.901 - 91.776 80.585 131.050 -28.868 - 91.845 43.069 98.113 -81.716 - 91.059 43.729 148.195 -95.921 - 90.116 42.869 117.454-118.644 - 90.808 50.174 163.777 28.450 - 90.620 46.303 132.061-163.111 - 92.007 74.854 135.232-130.505 - 90.408 -64.668 131.096-136.847 - 102.769 -65.729 0.000 0.000 - 98.517 -32.923 0.000 0.000 - 92.825 104.282 139.839-168.804 - 94.488 102.978 113.080 -77.249 - 123.186 -95.598 119.261 -77.380 - 94.697 80.124 0.000 0.000 - 129.943 -69.706 128.755 -91.980 - 119.018-108.612 109.768-113.961 - 118.889-138.749 110.719-111.582 - 117.323-118.171 126.214-134.457 - 121.787 0.000 121.468 -80.915 - # 120 total E -8.35052E+01 rmsd from N 0.000 %NC 0.00 1 - 93.861 122.334 148.377 -9.380 - 91.365 83.495 125.954 -18.445 - 90.924 47.159 92.426 -87.592 - 90.883 41.918 151.799-102.728 - 90.135 45.639 120.426-117.695 - 90.776 50.877 126.746 97.181 - 90.116 61.582 138.365-131.120 - 90.760 32.523 135.186-132.456 - 93.345-113.225 144.029-124.393 - 94.315 132.111 0.000 0.000 - 107.138 5.181 0.000 0.000 - 99.463-176.190 93.107 -94.104 - 122.256 179.948 144.221-156.159 - 121.834 -60.421 115.646 -82.174 - 113.791 -12.079 0.000 0.000 - 112.771 -80.875 109.407 -54.431 - 117.618-110.383 115.553-119.348 - 117.837-135.781 117.330-121.389 - 93.325 89.969 130.674-153.520 - 93.246 0.000 108.759 -76.920 - # 121 total E -8.45512E+01 rmsd from N 0.000 %NC 0.00 1 - 93.757 -9.903 101.149 -82.671 - 116.403 174.142 152.159 -13.585 - 92.405 66.585 133.596 119.424 - 90.669 42.371 152.454 -98.017 - 90.269 49.894 103.746 -43.446 - 90.854 40.172 149.013 96.804 - 91.029 64.729 131.680-113.622 - 91.228 31.770 134.782-109.808 - 93.143-119.764 106.886 -80.433 - 93.909 145.438 0.000 0.000 - 128.337 -38.169 0.000 0.000 - 98.903 168.939 96.376 -94.570 - 93.476 126.884 130.992 173.437 - 113.483 -69.169 115.367 -80.540 - 95.459 82.501 0.000 0.000 - 132.427 -82.883 100.547 -62.443 - 119.508-105.002 119.529-124.642 - 119.202-141.494 110.249-110.247 - 93.275 75.355 101.940-113.974 - 93.315 0.000 111.057 -79.112 - # 122 total E -8.81043E+01 rmsd from N 0.000 %NC 0.00 1 - 118.986 -91.150 108.811 -78.042 - 112.584-169.313 152.400 -16.691 - 93.048 70.652 133.679 113.207 - 89.865 41.794 151.441 -93.682 - 90.160 48.812 99.893 -65.236 - 90.591 49.313 156.137 43.191 - 90.513 44.099 135.048-138.302 - 92.269 69.136 131.878-135.540 - 91.459 -71.639 137.923-112.910 - 109.614 -50.620 0.000 0.000 - 120.318 -58.929 0.000 0.000 - 93.410 76.404 139.485-167.024 - 93.208 111.422 113.322 -76.566 - 94.296 -74.225 135.823-160.234 - 97.045 86.136 0.000 0.000 - 131.141 -83.757 139.333 -53.147 - 120.881-112.444 108.840-110.212 - 119.097-140.964 117.255-120.340 - 93.375 66.655 101.255-100.961 - 93.321 0.000 112.968 -78.428 - # 123 total E -8.52616E+01 rmsd from N 0.000 %NC 0.00 1 - 93.718 22.806 104.068 -79.755 - 92.889 173.369 144.180 -27.919 - 91.797 84.973 144.414-103.818 - 90.910 47.251 142.493-116.235 - 90.338 46.049 124.194 -84.121 - 89.758 54.673 101.841-131.920 - 89.881 52.640 141.251-140.923 - 90.896 75.925 131.770-134.273 - 92.214-103.423 138.189-114.585 - 137.204 -76.025 0.000 0.000 - 94.365 37.461 0.000 0.000 - 92.328 53.425 97.995 -96.865 - 92.967 -49.704 114.246 -76.210 - 130.724-173.937 116.312 -78.053 - 114.055 156.044 0.000 0.000 - 127.544 -80.086 122.675-123.153 - 114.615-104.024 125.967-137.414 - 120.560-143.591 108.611-105.983 - 93.227 63.200 101.953-112.828 - 93.332 0.000 112.725 -79.082 - # 124 total E -8.83930E+01 rmsd from N 0.000 %NC 0.00 1 - 93.869 107.558 146.470 -10.744 - 91.420 74.989 141.948 -36.150 - 90.985 45.564 124.697 122.857 - 90.636 47.459 148.092 -98.364 - 89.963 42.807 121.550-120.515 - 91.012 61.731 167.105-112.250 - 89.935 38.267 145.910-148.302 - 91.951 78.569 100.007-107.037 - 92.565 -59.689 142.833-120.107 - 121.710 -23.250 0.000 0.000 - 119.019 -47.520 0.000 0.000 - 96.636 -39.991 94.286 -92.149 - 91.107 111.990 140.832 -38.123 - 94.867 24.532 113.050 -80.088 - 96.170 66.149 0.000 0.000 - 122.627 -81.436 112.595-129.108 - 116.546-108.799 123.225-133.937 - 114.163-134.649 100.674 -83.285 - 93.492 82.172 128.838-150.767 - 93.281 0.000 111.339 -77.125 - # 125 total E -8.37792E+01 rmsd from N 0.000 %NC 0.00 1 - 116.484-171.050 151.050 -20.943 - 118.120-111.344 142.000 -26.169 - 91.234 65.327 119.881 122.493 - 88.849 44.930 149.382 -96.001 - 88.951 52.332 110.644 -87.725 - 88.946 45.822 160.051 102.841 - 90.101 61.607 139.319 -94.364 - 90.339 33.132 136.149-133.668 - 92.721-116.333 107.280 -79.939 - 94.416 150.156 0.000 0.000 - 132.385 -51.453 0.000 0.000 - 92.130 67.452 98.969-100.947 - 91.281 100.074 108.377 -77.446 - 92.518 41.792 115.214 -80.911 - 95.739 83.931 0.000 0.000 - 122.768 -88.964 88.773 -62.355 - 118.048-108.727 121.304-128.413 - 118.691-141.850 109.498-108.892 - 93.126 72.054 105.320-113.852 - 93.316 0.000 111.801 -78.797 - # 126 total E -8.54077E+01 rmsd from N 0.000 %NC 0.00 1 - 93.863 126.903 149.860 -3.665 - 91.447 89.994 131.650 -12.094 - 89.712 52.594 96.661 -81.746 - 89.953 41.600 148.258-106.856 - 90.205 44.045 126.124-127.125 - 91.047 48.547 130.109 92.551 - 90.565 67.879 134.970-136.572 - 90.434 92.398 132.670-121.062 - 92.144 -49.308 104.120 -82.981 - 96.468 91.396 0.000 0.000 - 128.200 -26.707 0.000 0.000 - 113.570-144.952 95.837 -72.212 - 96.868 164.818 116.343 -76.465 - 128.045-161.425 122.051 -79.979 - 94.726 63.878 0.000 0.000 - 118.682 -84.966 142.620 -36.614 - 119.673-165.244 111.521-113.743 - 117.213-149.344 115.815-115.942 - 93.722 85.133 131.196-155.286 - 93.294 0.000 111.880 -77.043 - # 127 total E -8.42402E+01 rmsd from N 0.000 %NC 0.00 1 - 93.757 101.086 149.589 -24.998 - 92.998 121.303 149.120 -38.845 - 131.700 -93.797 91.885 -96.599 - 92.056 57.013 142.504-102.942 - 89.895 41.954 122.561 -64.386 - 90.328 73.414 118.518 -37.288 - 90.525 41.112 143.293 -48.614 - 91.721 73.792 84.667 -82.782 - 92.650 -97.819 137.482-124.095 - 94.304 119.445 0.000 0.000 - 119.799 -8.293 0.000 0.000 - 91.756 67.330 96.307 -79.980 - 90.268 92.484 110.957 -78.725 - 94.263 -42.068 118.426-134.781 - 97.160 92.115 0.000 0.000 - 125.037 -79.712 116.819-133.072 - 120.254-112.656 115.674-120.459 - 120.344-140.405 112.299-112.469 - 93.179 60.678 95.322 -92.058 - 93.345 0.000 111.329 -80.646 - # 128 total E -8.61186E+01 rmsd from N 0.000 %NC 0.00 1 - 93.871 120.261 147.135 -11.118 - 91.362 85.718 128.629 -15.343 - 90.817 45.692 92.722 -87.738 - 90.284 45.612 146.932 -97.119 - 90.077 42.771 120.936-127.905 - 90.982 48.499 144.801 23.272 - 90.346 44.075 131.660-159.717 - 91.876 75.029 136.855-133.668 - 90.582 -95.747 137.600-122.512 - 95.628 53.595 0.000 0.000 - 151.573 -71.397 0.000 0.000 - 129.261 161.817 104.761 -96.369 - 93.913 78.891 111.360 -79.094 - 120.329 -47.059 123.894 -79.636 - 95.746 93.845 0.000 0.000 - 125.020 -80.236 117.891-114.887 - 120.879-111.142 115.754-120.926 - 118.391-138.517 106.176-105.860 - 117.548-118.919 125.424-134.720 - 121.863 0.000 121.668 -80.953 - # 129 total E -8.49815E+01 rmsd from N 0.000 %NC 0.00 1 - 93.909 123.636 146.077 -7.006 - 91.491 85.202 133.280 -22.194 - 90.443 48.292 95.975 -90.452 - 88.862 45.490 154.086-101.368 - 89.095 50.218 125.259-124.937 - 89.101 47.473 153.465 98.504 - 90.106 64.799 140.960-110.875 - 90.428 30.921 135.107-131.630 - 92.982-115.641 109.481 -80.483 - 94.412 148.070 0.000 0.000 - 134.980 -50.213 0.000 0.000 - 91.793 59.752 97.909-102.332 - 90.308 72.847 111.699 -78.088 - 92.012 47.231 114.394 -83.451 - 94.239 71.068 0.000 0.000 - 112.024 -68.849 81.340 -71.158 - 116.688-107.433 119.976-127.499 - 119.842-145.838 110.191-109.451 - 93.882 51.193 94.916-105.605 - 93.414 0.000 129.578-142.473 - # 130 total E -8.55634E+01 rmsd from N 0.000 %NC 0.00 1 - 93.856 117.782 147.444 -12.821 - 91.359 85.318 127.283 -11.820 - 90.660 47.441 91.894 -90.836 - 90.361 45.350 146.149 -95.970 - 89.929 42.965 121.233-128.906 - 90.856 48.391 134.057 25.564 - 90.754 47.216 132.810-165.372 - 91.457 41.472 137.591-132.616 - 93.302-173.075 114.282 -86.618 - 122.876 169.237 0.000 0.000 - 122.845 -39.698 0.000 0.000 - 92.466 65.377 86.031 -86.615 - 93.363 146.077 112.219 -80.098 - 95.734 18.596 121.809-174.997 - 97.110 67.517 0.000 0.000 - 126.608 -66.740 117.291 -66.160 - 113.975-100.934 116.795-124.802 - 122.972-152.113 112.668-110.711 - 92.984 65.752 97.235-108.845 - 93.345 0.000 108.392 -82.700 - # 131 total E -8.55765E+01 rmsd from N 0.000 %NC 0.00 1 - 93.784 101.033 149.518 -19.354 - 92.059 134.474 118.310 -45.213 - 90.771 57.085 86.218 -95.417 - 89.450 41.961 147.766 -96.906 - 89.363 52.173 124.518-147.134 - 89.992 46.832 139.236 28.055 - 90.522 45.476 139.487-108.590 - 92.096 76.027 131.525-136.575 - 92.539-111.694 137.663-124.570 - 95.029 112.360 0.000 0.000 - 132.034 -42.567 0.000 0.000 - 115.436-152.042 130.427-140.776 - 126.795 178.658 151.915-103.257 - 121.947 -91.633 116.898 -79.717 - 95.503 164.038 0.000 0.000 - 129.100 -98.751 130.693-109.162 - 117.554-107.216 124.193-134.442 - 121.013-144.024 108.196-105.881 - 93.060 73.249 107.078-112.672 - 93.316 0.000 111.797 -78.727 - # 132 total E -8.58396E+01 rmsd from N 0.000 %NC 0.00 1 - 93.918 121.578 144.817 -9.220 - 91.544 87.950 134.254 -18.215 - 91.099 43.644 131.798 110.418 - 90.444 46.144 142.832 -89.498 - 89.704 42.771 121.225-129.607 - 90.176 55.650 139.866 -0.085 - 90.292 40.195 143.710 165.133 - 91.950 73.081 129.398-134.048 - 92.351 -79.865 135.769-124.913 - 95.200 169.932 0.000 0.000 - 147.961 -38.232 0.000 0.000 - 89.961 53.361 132.775-162.228 - 90.235 48.933 111.314 -77.557 - 93.260-107.212 109.094 -77.936 - 96.499 144.779 0.000 0.000 - 123.554 -86.178 135.262 -55.469 - 118.716-112.591 116.755-122.637 - 118.558-132.957 111.731-113.022 - 119.359-118.221 112.698-111.713 - 121.802 0.000 121.412 -80.973 - # 133 total E -8.43407E+01 rmsd from N 0.000 %NC 0.00 1 - 93.931 122.910 144.527 -7.528 - 91.495 87.354 133.908 -18.305 - 91.436 41.993 129.029 110.470 - 90.154 47.633 143.970 -90.523 - 89.728 43.627 119.576-130.614 - 90.280 53.575 132.020 30.676 - 90.289 34.863 140.507 176.703 - 92.354 58.689 129.201-131.580 - 92.222 -59.062 133.553-109.130 - 123.603 -64.145 0.000 0.000 - 123.380 -7.767 0.000 0.000 - 115.630 176.960 81.886 -80.610 - 92.766 89.676 111.756 -71.817 - 93.854 5.733 115.129 -76.193 - 120.957 -22.479 0.000 0.000 - 128.040 -85.761 88.707 -63.481 - 116.910-106.965 113.975-117.892 - 119.263-139.900 111.184-113.459 - 93.189 79.418 102.989-108.973 - 93.300 0.000 111.316 -78.079 - # 134 total E -8.64118E+01 rmsd from N 0.000 %NC 0.00 1 - 94.008 127.675 142.108 0.693 - 91.403 88.912 136.589 -18.957 - 90.807 46.644 121.162 107.014 - 90.157 43.667 151.146 -94.073 - 90.202 48.144 119.775-127.178 - 90.791 52.801 125.305 33.357 - 90.015 41.122 141.355-120.067 - 91.251 61.890 128.548-136.531 - 93.151-176.871 137.749-115.828 - 94.864 153.988 0.000 0.000 - 120.255 -3.314 0.000 0.000 - 100.726-158.280 98.454-106.331 - 125.065 175.736 134.068 138.396 - 96.690 -66.502 112.631 -79.813 - 94.634 41.018 0.000 0.000 - 116.438 -84.208 136.968 48.530 - 120.697-168.297 108.358-106.544 - 123.586-143.810 117.851-119.500 - 93.517 74.199 133.038-156.456 - 93.306 0.000 112.981 -77.495 - # 135 total E -8.70395E+01 rmsd from N 0.000 %NC 0.00 1 - 93.973 125.828 143.276 -3.123 - 91.469 91.253 135.379 -17.612 - 90.951 45.986 124.104 97.835 - 89.628 47.332 142.610 -89.955 - 89.543 45.035 121.978-133.860 - 89.741 55.346 123.537 25.117 - 89.919 36.770 146.997 173.569 - 91.954 63.350 127.719-133.087 - 92.201 -55.102 135.781-115.595 - 122.199 -63.133 0.000 0.000 - 121.795 -32.836 0.000 0.000 - 111.720 161.085 89.465 -77.672 - 93.285 81.487 135.131 122.635 - 120.003 -42.885 117.738 -77.300 - 94.632 87.574 0.000 0.000 - 116.160 -64.740 120.735-113.888 - 118.960-109.914 116.289-122.742 - 119.933-135.840 107.904-106.427 - 118.430-118.867 118.980-124.833 - 121.916 0.000 121.574 -81.105 - # 136 total E -8.44319E+01 rmsd from N 0.000 %NC 0.00 1 - 93.840 98.163 148.397 -7.151 - 93.026 168.608 129.481 -32.010 - 111.489 172.701 124.492-120.323 - 124.940 168.172 159.966 -86.843 - 91.774 72.284 132.225-127.282 - 92.189 125.360 98.549 -74.391 - 91.149 74.105 145.710 -95.770 - 90.874 107.618 105.771-122.578 - 91.323 -19.557 134.634-131.352 - 98.335 -73.022 0.000 0.000 - 96.275 -18.324 0.000 0.000 - 92.998 105.162 133.816-157.969 - 93.364 128.772 134.718-116.292 - 121.020 -89.959 115.298 -89.429 - 95.617 48.003 0.000 0.000 - 124.341 -86.573 145.616 -47.695 - 117.595-110.544 121.501-130.451 - 124.099-152.181 113.828-110.963 - 92.911 73.711 106.691-113.439 - 93.328 0.000 110.187 -80.313 - # 137 total E -8.55201E+01 rmsd from N 0.000 %NC 0.00 1 - 93.906 124.535 146.491 -6.030 - 91.319 85.584 127.548 -19.417 - 91.089 47.608 95.765 -83.359 - 91.330 41.254 153.028-102.342 - 90.630 43.940 120.048-116.538 - 91.438 52.035 126.277 93.887 - 90.224 67.069 136.276-133.511 - 90.553 28.746 134.424-130.905 - 93.273-113.456 142.288-115.387 - 94.036 133.107 0.000 0.000 - 110.322 5.123 0.000 0.000 - 93.405 113.061 89.120 -87.307 - 92.461 87.410 109.470 -78.351 - 94.875 14.590 114.015 -78.035 - 98.637 80.339 0.000 0.000 - 133.155 -87.404 164.065 -95.069 - 119.712-113.620 109.534-113.020 - 119.033-141.984 114.235-115.485 - 93.330 70.833 104.322-103.770 - 93.313 0.000 112.958 -77.923 - # 138 total E -8.43578E+01 rmsd from N 0.000 %NC 0.00 1 - 93.924 117.154 144.942 5.781 - 92.335 153.426 136.728 -25.006 - 90.996 96.175 129.812-111.659 - 91.043 47.136 144.645-104.072 - 89.952 43.225 88.682 -68.498 - 91.305 75.401 110.169 -57.393 - 90.533 50.522 154.206-159.010 - 91.015 70.459 91.057 -88.975 - 92.366 -80.916 106.513 -81.176 - 95.711 170.361 0.000 0.000 - 143.907 -53.983 0.000 0.000 - 135.531 157.762 104.964 -94.519 - 92.515 125.793 114.169 -76.397 - 125.356 -67.664 128.602-131.682 - 95.185 78.030 0.000 0.000 - 120.162 -78.695 101.387 -74.114 - 125.017-166.925 111.338-111.009 - 110.287-147.376 132.038-146.760 - 93.790 45.780 99.332 -90.439 - 93.373 0.000 114.361 -79.756 - # 139 total E -8.83592E+01 rmsd from N 0.000 %NC 0.00 1 - 93.898 122.210 146.215 -8.928 - 91.281 86.418 128.067 -12.877 - 90.562 49.577 96.311 -90.753 - 89.543 44.378 151.337 -97.434 - 90.003 46.941 123.145-127.576 - 91.145 48.919 121.467 54.718 - 90.632 43.383 128.446-146.363 - 91.662 58.350 133.471-134.525 - 92.680 166.609 139.716-132.252 - 132.419 -84.532 0.000 0.000 - 96.380 23.215 0.000 0.000 - 93.831 58.337 99.120 -96.695 - 92.468 -34.636 117.914 -75.438 - 119.301-112.533 114.937 -78.818 - 95.562 152.259 0.000 0.000 - 118.956 -72.311 147.792 -20.822 - 114.722-113.409 88.032 -86.446 - 116.655-144.643 119.136-123.426 - 93.540 71.929 134.173-159.838 - 93.309 0.000 113.433 -77.374 - # 140 total E -8.66918E+01 rmsd from N 0.000 %NC 0.00 1 - 93.939 93.308 139.425 -19.504 - 93.189 112.407 152.634 -29.975 - 132.711 -97.600 89.364 -98.406 - 91.301 59.292 142.653-102.215 - 89.478 42.293 113.898 -29.167 - 89.079 55.523 148.579 110.063 - 89.424 51.108 147.505 -35.731 - 89.568 41.632 133.738-142.175 - 91.163-118.937 141.130-111.142 - 95.002 123.747 0.000 0.000 - 94.506 40.339 0.000 0.000 - 89.914 54.204 114.407-114.510 - 88.992 92.553 125.950-168.710 - 93.788 -41.608 112.082 -82.394 - 97.913 86.927 0.000 0.000 - 128.980 -85.916 141.386 -69.858 - 121.066-111.673 109.469-111.790 - 117.608-143.702 115.417-117.975 - 93.792 52.914 102.244-108.484 - 93.414 0.000 128.944-142.367 - # 141 total E -8.56952E+01 rmsd from N 0.000 %NC 0.00 1 - 93.940 121.134 143.358 -8.941 - 91.598 88.034 139.292 -17.710 - 91.425 43.702 140.846 113.439 - 90.721 47.036 144.354 -92.741 - 89.759 47.525 122.249-126.931 - 90.012 43.517 150.478 -35.191 - 90.341 54.381 136.018-149.581 - 90.771 42.158 124.046-102.838 - 91.339-115.398 101.798 -81.753 - 93.771 154.472 0.000 0.000 - 92.833 47.016 0.000 0.000 - 89.478 47.942 126.270-149.858 - 90.544 52.589 111.896 -76.754 - 93.205-112.634 112.433 -76.602 - 95.424 157.758 0.000 0.000 - 125.229 -85.909 140.722 -58.960 - 118.459-111.092 115.702-121.912 - 118.395-137.363 109.623-110.340 - 117.753-118.707 124.101-130.347 - 121.859 0.000 121.578 -80.993 - # 142 total E -8.40226E+01 rmsd from N 0.000 %NC 0.00 1 - 93.727 108.637 153.291 -20.001 - 93.020 128.531 137.708 -30.856 - 123.516 -99.009 96.337 -93.815 - 91.718 54.864 145.835-106.044 - 90.192 44.302 121.534 -74.544 - 91.038 46.179 115.775 -28.501 - 90.997 46.849 143.772-102.277 - 92.035 47.292 139.782-134.802 - 93.150-114.470 110.122 -79.914 - 94.467 161.435 0.000 0.000 - 132.145 -37.517 0.000 0.000 - 115.496 177.724 118.550-123.797 - 122.391 179.942 121.689 -79.436 - 96.395 -61.886 114.734 -77.313 - 94.958 165.943 0.000 0.000 - 129.558-108.560 105.553 -90.165 - 117.984-109.629 115.701-122.420 - 118.244-149.256 111.400-111.795 - 93.964 34.617 95.074-104.414 - 93.449 0.000 115.329 -81.806 - # 143 total E -8.52114E+01 rmsd from N 0.000 %NC 0.00 1 - 93.876 123.863 147.903 -7.594 - 91.436 84.145 128.650 -31.281 - 91.664 45.416 94.473 -81.978 - 90.930 42.869 149.809 -99.217 - 90.443 45.267 118.661-115.453 - 91.207 44.914 162.746 34.158 - 90.470 54.951 128.927-143.432 - 91.062 48.950 126.751-106.280 - 92.311-116.730 111.959 -81.899 - 95.316 157.540 0.000 0.000 - 132.807 -56.842 0.000 0.000 - 105.349 173.707 98.703 -91.179 - 94.371 146.577 129.550 154.051 - 112.958 -69.700 114.569 -80.676 - 94.777 67.471 0.000 0.000 - 122.398 -79.173 87.825 -66.817 - 116.610-109.828 120.060-127.677 - 122.258-141.325 112.043-109.174 - 117.678-126.379 118.033-122.202 - 122.843 0.000 123.397 -81.916 - # 144 total E -8.59758E+01 rmsd from N 0.000 %NC 0.00 1 - 93.889 122.860 146.814 -8.607 - 91.344 87.078 126.746 -22.724 - 91.376 46.952 96.317 -87.763 - 90.316 41.643 147.174 -97.286 - 90.575 46.861 116.297-122.753 - 90.863 48.028 136.496 61.818 - 90.099 49.907 129.253-151.632 - 90.809 41.576 135.558-134.142 - 92.566-110.851 136.217-108.202 - 123.864 -82.207 0.000 0.000 - 109.364 -24.860 0.000 0.000 - 91.374 87.513 104.025-105.741 - 92.459 39.543 106.582 -77.683 - 94.510-123.648 114.778 -79.280 - 95.548 123.248 0.000 0.000 - 122.517 -84.416 133.559 -42.590 - 117.572-161.266 112.698-115.412 - 121.002-166.434 128.554-133.683 - 93.617 52.587 94.883 -90.161 - 93.346 0.000 112.916 -79.693 - # 145 total E -8.53606E+01 rmsd from N 0.000 %NC 0.00 1 - 116.786 -84.105 147.540 -34.709 - 91.386 83.545 128.228 -11.292 - 91.047 47.237 98.322 -91.932 - 89.782 45.126 152.509 -96.624 - 90.113 46.715 123.728-125.248 - 91.196 48.585 120.904 62.718 - 90.799 43.292 128.186-144.625 - 91.828 56.131 134.462-134.955 - 93.136-176.759 141.750-133.321 - 133.916 -69.749 0.000 0.000 - 111.410 -6.467 0.000 0.000 - 91.019 72.539 100.938 -97.099 - 90.204 -0.091 107.595 -76.385 - 107.766-135.210 103.607 -75.616 - 94.733 122.598 0.000 0.000 - 120.300 -71.698 140.822 -43.429 - 114.804-131.495 90.694 -82.949 - 106.845-172.561 130.529-146.682 - 93.312 49.825 108.510-107.599 - 93.346 0.000 113.351 -79.388 - # 146 total E -8.43396E+01 rmsd from N 0.000 %NC 0.00 1 - 93.874 114.231 145.199 -16.007 - 91.761 109.065 132.310 -28.555 - 90.493 55.304 95.882 -89.192 - 89.897 42.413 146.760 -95.878 - 90.259 44.341 128.994-135.204 - 90.883 47.192 144.964 111.949 - 90.829 54.042 136.682 -55.206 - 90.872 97.479 134.526-118.000 - 91.850 -57.673 103.760 -83.906 - 96.278 91.984 0.000 0.000 - 138.996 -39.441 0.000 0.000 - 123.026-151.994 116.436-116.694 - 119.126 172.628 120.023 -80.035 - 121.974 -86.133 117.023 -79.322 - 95.011 160.516 0.000 0.000 - 130.841 -80.095 156.509 -90.399 - 117.507-107.245 114.433-120.926 - 119.429-138.690 113.739-113.944 - 93.545 76.905 130.744-153.746 - 93.300 0.000 112.397 -77.491 - # 147 total E -8.67136E+01 rmsd from N 0.000 %NC 0.00 1 - 93.774 86.457 147.647 -27.118 - 92.850 117.706 146.352 -34.644 - 134.096 -94.993 84.824 -98.686 - 91.105 61.219 141.567-108.900 - 89.972 41.762 115.228 -93.555 - 90.564 55.801 152.715 21.456 - 90.860 67.652 136.758 -47.399 - 91.455 103.400 119.851-122.460 - 91.305 -23.012 143.365-137.796 - 99.690 -69.483 0.000 0.000 - 98.639 -23.421 0.000 0.000 - 93.057 102.821 103.938 -97.942 - 93.765 113.616 119.067 -75.872 - 118.404 -92.876 115.872 -85.273 - 94.846 63.563 0.000 0.000 - 130.287 -84.530 101.514 -64.793 - 117.800-109.030 114.071-118.873 - 119.876-137.916 116.737-116.740 - 118.383-118.516 120.183-124.113 - 121.915 0.000 121.453 -81.159 - # 148 total E -8.72465E+01 rmsd from N 0.000 %NC 0.00 1 - 93.740 81.266 105.498 -76.817 - 92.749 121.869 138.620 -45.518 - 128.824 -93.478 90.864-102.201 - 91.316 57.455 141.192-101.857 - 89.958 36.915 116.246 -68.633 - 91.124 55.011 147.464 -32.451 - 90.544 43.835 133.510 156.712 - 91.710 77.768 101.437 -93.869 - 90.613 -61.454 133.036-139.440 - 105.090 -63.669 0.000 0.000 - 98.012 -33.222 0.000 0.000 - 92.665 105.772 108.533 -96.023 - 93.282 107.923 113.345 -77.379 - 117.343 -75.277 118.703 -87.355 - 95.137 80.719 0.000 0.000 - 129.777 -70.124 121.463-124.042 - 118.610-105.897 114.514-120.596 - 118.775-153.224 107.440-106.747 - 92.805 59.205 107.037-122.568 - 93.347 0.000 110.763 -81.179 - # 149 total E -8.61905E+01 rmsd from N 0.000 %NC 0.00 1 - 93.618 101.675 156.521 -31.283 - 93.311 122.499 139.922 -45.305 - 130.995 -99.317 90.619 -99.105 - 92.513 56.832 147.652-107.616 - 91.088 37.219 108.380 -87.398 - 91.665 57.028 152.181 96.866 - 90.484 39.437 145.586-127.057 - 92.391 66.330 133.368-136.770 - 91.108 -67.933 139.133-137.701 - 109.884 -57.226 0.000 0.000 - 107.130 -76.145 0.000 0.000 - 92.321 65.971 134.226-161.606 - 94.258 136.061 113.878 -76.522 - 124.171 -96.191 119.006 -85.297 - 95.513 67.595 0.000 0.000 - 132.295 -86.773 109.898 -56.097 - 117.898-102.096 124.865-133.080 - 118.449-142.132 111.466-111.532 - 93.208 54.908 99.924-112.140 - 93.356 0.000 112.664 -80.211 - # 150 total E -8.60309E+01 rmsd from N 0.000 %NC 0.00 1 - 93.916 129.593 147.499 -6.485 - 107.835-175.994 139.298 -26.834 - 109.772-167.205 116.209-124.875 - 90.206 53.489 145.214-102.993 - 89.242 43.014 113.722 -94.188 - 90.852 56.489 146.185 -27.140 - 90.130 40.260 137.307-161.065 - 91.634 74.072 99.153 -97.285 - 90.894 -55.089 133.635-138.517 - 109.982 -72.235 0.000 0.000 - 102.025 -26.289 0.000 0.000 - 92.942 100.521 140.157-168.221 - 93.169 103.058 114.616 -78.487 - 122.991 -84.439 134.857-161.669 - 96.045 77.335 0.000 0.000 - 126.380 -79.811 139.553 -95.555 - 119.418-111.854 114.984-120.221 - 120.681-137.771 109.847-109.175 - 117.655-118.713 123.410-128.042 - 121.880 0.000 121.573 -81.040 - # 151 total E -8.33415E+01 rmsd from N 0.000 %NC 0.00 1 - 93.920 124.689 145.772 -5.564 - 91.401 86.143 129.038 -22.836 - 91.833 46.244 98.033 -86.384 - 90.900 40.491 150.513 -96.741 - 90.474 48.793 116.851-116.717 - 91.478 50.676 128.669 57.780 - 90.366 45.966 130.309-145.000 - 91.371 50.410 131.130-134.971 - 93.176 166.123 141.254-116.820 - 95.315 60.336 0.000 0.000 - 125.855 -39.461 0.000 0.000 - 114.057-149.714 126.649-135.011 - 131.191-171.029 151.859-109.103 - 93.816 62.343 115.702 -76.241 - 124.122 -12.480 0.000 0.000 - 112.918 -68.789 149.386 -35.523 - 118.924-117.505 110.210-114.001 - 122.335-162.749 117.986-117.338 - 93.398 57.913 99.662-104.686 - 93.340 0.000 112.256 -79.858 - # 152 total E -8.99950E+01 rmsd from N 0.000 %NC 0.00 1 - 93.705 44.941 109.235 -81.158 - 92.957 172.481 143.155 -20.332 - 91.921 77.116 143.856 110.895 - 89.829 48.527 145.785 -97.749 - 89.338 44.951 112.805 -63.322 - 90.504 51.858 157.926 -6.077 - 90.550 42.334 135.846-163.971 - 91.673 72.326 103.641 -98.625 - 90.812 -60.308 130.568-136.080 - 108.699 -69.471 0.000 0.000 - 101.025 -26.830 0.000 0.000 - 92.996 100.183 138.684-165.270 - 93.335 107.437 115.443 -78.752 - 124.189 -87.723 130.776-159.192 - 95.583 73.611 0.000 0.000 - 124.880 -80.122 131.723 -84.672 - 118.781-110.959 116.390-122.495 - 120.444-147.018 110.950-110.808 - 93.056 85.452 101.032-107.819 - 93.427 0.000 119.546-131.229 - # 153 total E -8.80552E+01 rmsd from N 0.000 %NC 0.00 1 - 93.926 126.189 146.045 -3.409 - 91.292 88.235 126.574 -19.268 - 91.300 50.627 101.855 -91.767 - 89.842 41.098 151.478-104.721 - 90.012 49.057 119.003-120.791 - 90.371 59.384 130.707 35.447 - 90.041 39.283 131.261-156.787 - 91.887 60.292 129.320-133.069 - 92.318 -69.704 138.268-119.697 - 118.773 -47.789 0.000 0.000 - 119.608 -57.261 0.000 0.000 - 111.508 152.075 131.351-143.868 - 93.612 86.704 114.194 -76.735 - 131.462-104.794 125.099 -84.508 - 95.843 95.577 0.000 0.000 - 132.472 -79.935 84.227 -78.682 - 119.074-143.066 110.712-113.731 - 127.435-167.230 114.685-110.373 - 92.548 81.732 100.561-101.302 - 93.332 0.000 108.932 -80.909 - # 154 total E -8.58736E+01 rmsd from N 0.000 %NC 0.00 1 - 93.867 112.969 145.905 -15.417 - 92.931 117.934 140.257 -32.125 - 123.016 -90.561 92.670 -87.832 - 90.473 60.329 143.424-116.109 - 89.599 41.805 130.483-122.562 - 89.359 60.677 123.338 16.697 - 89.648 38.580 153.169-144.155 - 91.419 63.528 126.140-138.922 - 91.526 -54.228 136.216-115.799 - 117.040 -85.441 0.000 0.000 - 121.469 -58.910 0.000 0.000 - 108.576 175.837 131.876-145.613 - 94.031 74.353 114.941 -78.559 - 93.296 -94.981 118.583 -76.471 - 94.621 152.238 0.000 0.000 - 131.282-109.082 139.572-106.216 - 117.976-112.729 115.024-120.868 - 119.230-168.758 116.811-118.795 - 93.866 29.632 91.302 -79.431 - 93.440 0.000 113.488 -82.330 - # 155 total E -8.37963E+01 rmsd from N 0.000 %NC 0.00 1 - 93.862 92.147 145.608 -15.060 - 91.448 67.185 132.262 -52.651 - 90.835 53.078 171.933 17.596 - 89.263 50.875 142.193 -84.418 - 89.356 46.959 116.594-129.614 - 89.607 50.366 126.022 -99.310 - 90.018 55.804 141.711-152.379 - 90.105 64.343 136.133-133.148 - 91.543-154.089 136.821-132.262 - 94.744 68.730 0.000 0.000 - 91.573 49.085 0.000 0.000 - 89.190 49.892 80.900 -82.422 - 89.372 82.931 115.004 -78.019 - 91.731 5.380 112.874 -78.799 - 107.595 -75.876 0.000 0.000 - 122.862-145.147 118.574 -33.662 - 119.088-108.984 116.446-120.153 - 117.502-112.649 110.501-110.710 - 92.721 78.675 99.788-104.570 - 93.266 0.000 107.139 -79.693 - # 156 total E -8.42474E+01 rmsd from N 0.000 %NC 0.00 1 - 93.774 48.068 147.076 -28.653 - 92.897 172.161 143.606 -20.703 - 91.765 76.256 141.624 96.422 - 89.354 43.865 143.969 -91.539 - 89.718 48.783 102.676 -56.793 - 89.891 54.072 131.388 58.393 - 90.327 38.350 137.351-171.498 - 92.438 57.121 128.341-131.918 - 92.688 -56.185 144.149-121.317 - 122.438 -62.012 0.000 0.000 - 122.371 -23.432 0.000 0.000 - 94.716 85.674 83.534 -82.557 - 135.456 -89.946 149.801 2.535 - 124.639 -59.017 118.064 -80.297 - 95.412 71.187 0.000 0.000 - 116.749 -79.880 83.447 -64.930 - 116.570-112.397 112.458-114.634 - 120.608-145.005 134.215-144.146 - 92.689 75.372 100.888-100.662 - 93.321 0.000 110.158 -79.995 - # 157 total E -8.69597E+01 rmsd from N 0.000 %NC 0.00 1 - 93.791 98.566 147.372 -24.703 - 93.145 118.224 146.855 -28.082 - 129.014-103.246 89.484 -97.035 - 91.775 62.434 144.951-111.352 - 90.700 42.248 113.257 -85.566 - 90.787 55.320 141.740 42.097 - 90.156 40.467 136.930-142.651 - 91.657 69.913 131.115-137.867 - 91.787 -40.731 141.210-128.683 - 116.092-155.332 0.000 0.000 - 92.538 47.628 0.000 0.000 - 89.554 49.344 97.805 -97.820 - 89.343 46.998 110.315 -74.794 - 93.822 179.981 114.095 -77.974 - 94.421 113.209 0.000 0.000 - 128.891 -78.830 106.068 -99.004 - 118.016-108.697 114.617-120.829 - 120.708-146.467 113.164-112.700 - 93.649 58.104 98.088-108.210 - 93.412 0.000 128.713-137.766 - # 158 total E -8.43022E+01 rmsd from N 0.000 %NC 0.00 1 - 93.855 118.674 147.543 -13.125 - 91.639 88.030 132.929 -18.112 - 91.038 45.348 90.958 -86.166 - 90.234 44.274 140.995 -96.096 - 89.612 50.090 122.201-125.136 - 90.433 49.743 116.313 -4.235 - 90.894 75.485 151.099-125.360 - 91.560 9.429 85.870 -84.158 - 98.869-111.494 97.813 -79.483 - 93.544 154.874 0.000 0.000 - 122.895 -21.663 0.000 0.000 - 113.350-152.978 86.452 -83.366 - 137.686 164.922 121.536 -81.138 - 96.256 -1.932 113.891 -77.330 - 97.294 85.082 0.000 0.000 - 126.636 -63.942 117.524-117.221 - 113.547-109.616 89.817-106.780 - 120.570-136.889 111.762-110.750 - 93.698 78.277 125.887-147.983 - 93.297 0.000 111.812 -77.703 - # 159 total E -8.50387E+01 rmsd from N 0.000 %NC 0.00 1 - 93.851 110.749 147.249 -12.421 - 91.613 80.945 136.528 -28.271 - 91.498 45.022 136.097 -91.639 - 91.326 46.594 142.760 -97.015 - 90.699 44.210 117.650-123.628 - 91.182 51.643 109.734 -66.192 - 90.436 64.329 145.066-135.468 - 90.295 26.834 92.046 -75.007 - 94.244-110.645 99.587 -85.839 - 93.657 157.206 0.000 0.000 - 146.931 -32.669 0.000 0.000 - 115.146-140.139 88.951 -80.409 - 109.381-161.440 118.515 -77.245 - 133.004 -65.627 125.527-141.979 - 96.317 68.111 0.000 0.000 - 120.584 -90.677 83.396 -92.848 - 117.939-111.684 118.905-126.310 - 114.870-132.351 146.326-166.469 - 93.872 56.342 98.839-100.368 - 93.330 0.000 116.242 -76.876 - # 160 total E -8.38550E+01 rmsd from N 0.000 %NC 0.00 1 - 93.870 120.543 147.314 -10.584 - 91.407 85.745 127.607 -19.112 - 91.056 46.589 92.947 -86.972 - 90.741 44.482 147.045 -95.545 - 90.487 43.193 120.079-122.469 - 91.199 53.101 152.731 43.994 - 91.533 77.991 131.750-164.827 - 92.600 -60.924 131.759-131.057 - 112.763 173.440 149.647 -15.517 - 135.244 -70.598 0.000 0.000 - 97.496 -14.142 0.000 0.000 - 92.224 98.914 98.926 -98.055 - 93.230 144.321 136.260 -13.285 - 94.808 -28.051 118.276-159.492 - 97.401 93.041 0.000 0.000 - 129.246 -77.750 98.803 -60.900 - 116.232-104.078 119.372-125.524 - 120.282-139.806 116.753-116.641 - 93.447 75.076 99.182-108.506 - 93.308 0.000 111.968 -78.218 - # 161 total E -8.90750E+01 rmsd from N 0.000 %NC 0.00 1 - 93.797 83.696 146.442 -26.280 - 92.944 118.291 148.790 -31.794 - 134.466 -96.570 86.772-100.326 - 91.612 59.473 143.078-105.496 - 90.253 44.329 116.168 -58.211 - 90.568 52.255 155.193 37.991 - 90.908 65.050 131.360 -55.071 - 91.821 102.831 134.107-130.656 - 91.200 -24.914 146.321-131.863 - 101.501 -71.329 0.000 0.000 - 98.766 -21.598 0.000 0.000 - 93.309 102.339 134.415-157.703 - 94.090 112.110 119.581 -75.273 - 120.965 -98.769 117.921 -83.727 - 95.191 63.719 0.000 0.000 - 129.910 -86.016 101.160 -62.397 - 117.268-111.394 114.506-119.540 - 122.497-149.126 113.213-111.411 - 92.266 80.464 106.859-116.770 - 93.323 0.000 108.306 -81.114 - # 162 total E -8.71204E+01 rmsd from N 0.000 %NC 0.00 1 - 93.890 113.890 145.478 -10.296 - 91.476 77.738 127.265 -29.804 - 93.040 36.425 154.664 110.423 - 92.899 51.306 141.743 -85.649 - 90.689 38.874 117.849-123.911 - 91.180 54.438 119.082 -46.107 - 90.225 43.642 152.764-154.404 - 91.338 57.618 136.423-135.382 - 91.837 -87.133 136.946-112.052 - 116.196 -60.005 0.000 0.000 - 112.923 -60.735 0.000 0.000 - 127.122 148.114 114.301-111.956 - 94.560 76.808 114.067 -76.972 - 94.547 -84.584 113.094 -77.560 - 93.148 152.533 0.000 0.000 - 131.914 -72.527 150.986-101.553 - 114.554-104.961 110.377-117.943 - 119.391-136.625 111.009-109.258 - 93.608 79.831 125.961-147.694 - 93.295 0.000 111.337 -77.856 - # 163 total E -8.78942E+01 rmsd from N 0.000 %NC 0.00 1 - 93.708 92.822 151.257 -29.414 - 92.946 123.956 141.529 -45.761 - 135.752 -93.631 84.440 -99.885 - 90.162 64.426 146.290-110.723 - 88.983 55.934 118.995 -31.698 - 88.219 61.664 95.550 -56.053 - 89.110 49.078 152.971-107.960 - 89.187 50.528 119.395-145.124 - 91.494-166.706 139.454-117.657 - 95.195 75.380 0.000 0.000 - 93.873 44.418 0.000 0.000 - 89.701 50.274 102.281 -94.950 - 89.898 75.187 116.317 -79.719 - 93.225 22.130 112.832 -78.707 - 97.263 65.400 0.000 0.000 - 130.741 -91.981 134.471 -88.095 - 118.271-111.662 119.727-128.213 - 108.812-160.388 98.287 -95.202 - 94.242 27.471 93.442-104.300 - 93.475 0.000 116.977 -81.394 - # 164 total E -8.37097E+01 rmsd from N 0.000 %NC 0.00 1 - 93.859 79.891 145.937 -15.715 - 92.979 167.992 139.060 -38.848 - 107.555 168.970 116.907 -73.129 - 91.654 68.123 136.239-108.323 - 90.200 43.511 126.089-129.331 - 91.240 54.591 124.928 16.487 - 90.803 33.452 142.603-134.673 - 92.715 62.474 127.919-134.892 - 92.375 -48.521 132.578-108.910 - 122.726-143.540 0.000 0.000 - 110.875 -25.687 0.000 0.000 - 91.443 76.731 102.007-100.985 - 91.514 39.751 106.908 -76.666 - 92.956-128.885 117.799 -78.382 - 96.655 134.180 0.000 0.000 - 117.514 -82.067 138.489 -26.707 - 114.064-162.615 118.285-124.644 - 112.359-165.846 135.438-150.540 - 93.607 73.582 102.650 -98.890 - 93.311 0.000 113.518 -77.392 - # 165 total E -8.37996E+01 rmsd from N 0.000 %NC 0.00 1 - 93.717 97.886 151.193 -27.703 - 93.108 121.962 140.604 -35.220 - 129.498-100.230 95.190-100.104 - 92.758 52.669 159.224-137.522 - 90.835 43.987 107.751 -38.826 - 91.564 51.403 144.084 78.463 - 90.960 39.219 135.336-119.281 - 92.115 55.266 132.877-143.082 - 93.932-173.116 145.160 -23.452 - 93.790 126.084 0.000 0.000 - 122.197 -20.320 0.000 0.000 - 93.508 95.315 131.656-154.732 - 124.306-102.247 114.369 -77.420 - 130.095 -88.091 119.636 -80.353 - 95.898 169.295 0.000 0.000 - 129.030 -85.555 114.931-112.878 - 118.793-109.107 114.554-120.568 - 118.309-146.471 110.905-111.421 - 116.020-120.239 127.341-138.088 - 121.832 0.000 122.148 -80.632 - # 166 total E -8.55959E+01 rmsd from N 0.000 %NC 0.00 1 - 93.856 126.796 149.285 -12.622 - 115.245 177.840 149.847 -21.101 - 92.641 72.061 135.760 110.877 - 90.011 40.144 151.246 -95.589 - 89.533 50.816 118.727 -55.464 - 89.982 52.464 118.191 41.244 - 90.192 44.464 141.482-137.955 - 91.991 64.112 128.553-135.977 - 91.900 -68.150 141.261-126.017 - 115.445 -53.303 0.000 0.000 - 117.028 -51.872 0.000 0.000 - 107.438 105.061 142.609-164.547 - 92.662 117.023 117.957 -75.983 - 126.039 -90.651 111.736 -81.435 - 94.262 70.408 0.000 0.000 - 123.172 -75.707 121.515 -83.205 - 119.877-119.323 108.343-110.994 - 120.609-162.442 117.331-119.072 - 93.528 53.075 98.153 -98.830 - 93.350 0.000 112.098 -80.391 - # 167 total E -8.81473E+01 rmsd from N 0.000 %NC 0.00 1 - 93.702 40.181 108.962 -81.500 - 92.992 173.043 143.241 -19.810 - 91.658 77.455 140.539 105.050 - 89.625 43.439 149.471 -93.620 - 89.981 48.435 101.148 -59.697 - 90.587 48.862 155.857 44.178 - 90.610 44.468 135.457-138.416 - 92.356 70.189 132.677-135.654 - 91.414 -71.023 138.408-112.548 - 109.016 -50.335 0.000 0.000 - 118.984 -56.532 0.000 0.000 - 93.428 78.164 139.743-167.395 - 93.307 111.019 113.163 -76.533 - 94.408 -74.145 138.391-157.839 - 97.026 85.967 0.000 0.000 - 130.478 -85.345 141.079 -53.209 - 120.958-111.677 112.033-114.821 - 119.355-141.398 115.819-117.912 - 93.318 67.814 102.099-103.966 - 93.321 0.000 112.770 -78.467 - # 168 total E -8.94459E+01 rmsd from N 0.000 %NC 0.00 1 - 118.448 -86.551 111.190 -81.218 - 113.390-164.794 152.643 -15.987 - 93.297 65.573 132.079 119.390 - 90.142 46.417 148.152 -97.369 - 89.674 45.737 112.485 -67.825 - 90.574 51.155 160.484 -0.323 - 90.604 42.124 134.483-161.799 - 91.777 72.024 103.473 -98.997 - 90.832 -61.617 130.338-135.551 - 108.292 -69.236 0.000 0.000 - 100.685 -26.926 0.000 0.000 - 93.089 100.642 137.669-163.605 - 93.422 107.600 115.627 -78.722 - 124.439 -89.859 130.092-157.654 - 95.490 74.248 0.000 0.000 - 125.266 -76.873 129.250 -81.658 - 119.338-112.100 111.499-116.175 - 120.051-147.402 112.115-112.911 - 93.105 84.414 101.207-105.682 - 93.426 0.000 120.328-131.486 - # 169 total E -8.46752E+01 rmsd from N 0.000 %NC 0.00 1 - 93.929 93.813 139.977 -19.735 - 93.197 112.054 150.553 -30.900 - 132.590 -98.965 89.365 -98.324 - 91.241 60.279 146.133-113.974 - 89.244 42.073 113.122 -28.573 - 88.928 57.115 149.884 107.383 - 89.235 51.455 144.567 -39.355 - 89.410 41.709 131.323-142.204 - 91.145-119.001 141.174-112.382 - 95.131 123.113 0.000 0.000 - 94.594 39.783 0.000 0.000 - 90.009 55.005 114.504-114.527 - 88.914 91.840 125.684-170.470 - 93.809 -40.849 111.918 -82.448 - 98.027 87.232 0.000 0.000 - 129.027 -85.315 143.170 -72.469 - 121.008-111.900 110.791-113.854 - 118.602-141.471 112.599-113.719 - 120.065-110.070 114.690-116.053 - 120.668 0.000 119.753 -79.687 - # 170 total E -8.40841E+01 rmsd from N 0.000 %NC 0.00 1 - 93.865 119.789 146.840 -10.621 - 91.546 84.243 138.391 -27.199 - 90.881 47.506 121.009 114.124 - 89.825 43.235 148.077 -89.910 - 90.208 49.795 119.249-123.055 - 90.292 48.545 148.816 47.803 - 90.103 54.778 135.382-140.732 - 91.285 80.293 135.377-133.625 - 91.725 -80.924 142.610-133.323 - 130.870 -81.323 0.000 0.000 - 111.061 -19.868 0.000 0.000 - 92.352 95.004 102.180-102.929 - 92.439 139.593 109.355 -78.304 - 132.397 174.161 119.395 -89.966 - 95.761 70.567 0.000 0.000 - 112.109 -56.467 138.627 -71.056 - 109.388-146.734 94.619 -98.057 - 131.390-168.807 115.691-110.926 - 93.389 67.722 98.116 -99.623 - 93.302 0.000 114.308 -77.104 - # 171 total E -8.54774E+01 rmsd from N 0.000 %NC 0.00 1 - 115.917-174.807 152.433 -21.722 - 116.867-120.494 144.083 -27.680 - 91.864 54.928 124.957 118.350 - 90.426 42.546 148.826 -95.797 - 90.257 45.991 103.293 -61.471 - 90.327 50.518 165.527 41.997 - 90.364 46.103 140.106-141.732 - 91.928 82.012 132.790-135.313 - 91.813 -60.987 143.658-125.024 - 118.778 -23.559 0.000 0.000 - 118.162 -48.028 0.000 0.000 - 96.365 -39.044 92.442 -90.728 - 91.322 111.349 135.400 -41.348 - 94.906 23.315 113.607 -79.913 - 96.254 68.727 0.000 0.000 - 122.726 -78.132 114.847-129.157 - 116.111-107.444 120.079-130.277 - 112.197-139.387 102.035 -83.369 - 93.487 85.120 128.754-152.881 - 93.282 0.000 110.692 -77.418 - # 172 total E -8.48737E+01 rmsd from N 0.000 %NC 0.00 1 - 93.872 120.211 147.059 -11.079 - 91.319 85.526 127.492 -14.662 - 90.865 46.006 93.353 -89.314 - 90.205 45.671 147.330 -96.703 - 89.980 43.246 120.922-127.592 - 91.017 49.439 136.566 28.747 - 90.290 44.410 132.160-160.351 - 92.136 79.141 135.947-134.047 - 91.155 -96.927 141.031-126.742 - 95.819 53.541 0.000 0.000 - 146.920 -71.691 0.000 0.000 - 126.714 166.091 111.788-108.501 - 93.470 94.091 117.685 -75.258 - 95.692 4.457 115.472 -80.059 - 98.327 74.553 0.000 0.000 - 133.585 -80.829 154.695 -65.791 - 117.422-109.291 115.076-121.716 - 120.098-145.753 113.671-113.893 - 93.055 58.918 100.174-102.652 - 93.348 0.000 111.386 -80.707 - # 173 total E -8.33747E+01 rmsd from N 0.000 %NC 0.00 1 - 93.886 75.895 141.740 -23.231 - 92.627 128.759 142.482 -39.407 - 130.917-103.575 84.839-103.685 - 91.581 64.508 144.627-104.283 - 90.473 43.430 106.519 -89.381 - 91.845 55.032 126.723 43.254 - 90.706 36.127 132.622-146.063 - 92.480 65.747 130.152-135.651 - 93.364 161.307 138.206-130.439 - 133.225 -82.728 0.000 0.000 - 96.922 19.475 0.000 0.000 - 94.058 61.114 99.480 -96.862 - 92.277 -32.261 118.922 -75.519 - 118.241-107.655 115.720 -79.086 - 95.918 148.637 0.000 0.000 - 121.116 -75.384 146.323 -18.430 - 113.462-111.456 92.395 -88.187 - 118.034-143.928 122.347-127.361 - 93.363 72.776 136.692-162.733 - 93.307 0.000 113.420 -77.282 - # 174 total E -8.74112E+01 rmsd from N 0.000 %NC 0.00 1 - 93.990 124.836 141.906 -4.244 - 91.500 90.534 136.517 -14.752 - 90.987 47.442 131.926 96.629 - 90.217 42.322 148.370 -97.762 - 90.350 52.622 122.269-127.600 - 91.688 51.071 132.154 21.211 - 91.608 118.039 137.265-121.948 - 87.867 -38.959 110.562-120.983 - 90.534 -56.069 141.592-123.285 - 95.223 3.907 0.000 0.000 - 115.019 -46.398 0.000 0.000 - 92.556 -37.249 95.539 -95.677 - 93.018 97.011 113.995 -76.437 - 131.240-116.676 116.897 -84.434 - 95.431 160.314 0.000 0.000 - 126.889 -77.039 116.997 -62.969 - 116.895-104.997 119.716-127.290 - 118.984-149.849 110.079-110.872 - 93.065 77.738 102.577-113.526 - 93.428 0.000 121.344-137.392 - # 175 total E -8.36259E+01 rmsd from N 0.000 %NC 0.00 1 - 93.861 98.525 144.439 -19.686 - 92.449 128.407 155.799-107.062 - 130.151 -84.034 86.893 -94.916 - 91.152 52.819 144.492-111.332 - 90.330 38.542 120.003-103.067 - 91.272 61.421 137.281 -21.625 - 89.918 44.436 144.258-150.705 - 90.612 71.944 87.782 -78.171 - 91.000 -94.765 135.436-122.615 - 95.265 128.149 0.000 0.000 - 135.203 -57.345 0.000 0.000 - 121.106-175.588 124.683-128.255 - 93.692 107.878 114.947 -77.734 - 125.782-100.924 112.961 -81.700 - 95.606 88.407 0.000 0.000 - 129.141 -80.054 89.350 -64.900 - 117.128-106.843 121.770-129.478 - 122.464-138.777 107.795-103.562 - 92.832 75.003 93.354-106.179 - 93.319 0.000 109.830 -80.155 - # 176 total E -8.64295E+01 rmsd from N 0.000 %NC 0.00 1 - 93.773 104.362 149.559 -21.690 - 92.874 125.109 150.398 -40.822 - 128.877 -91.264 91.085 -94.418 - 91.463 55.096 147.736-115.004 - 89.845 41.861 127.379 -73.855 - 89.702 58.981 124.602 -30.951 - 89.693 40.952 147.548-135.629 - 91.053 65.473 127.106-138.831 - 91.398 -52.973 136.359-120.401 - 119.382 -70.277 0.000 0.000 - 131.997 -56.155 0.000 0.000 - 117.217 170.747 134.584-144.964 - 93.057 90.292 112.807 -77.591 - 125.001-106.370 119.594 -85.115 - 96.653 87.909 0.000 0.000 - 135.804 -91.185 126.731-111.309 - 120.017-108.068 117.675-123.539 - 118.613-151.235 113.430-114.865 - 93.778 36.187 89.900 -86.501 - 93.434 0.000 113.142 -82.784 - # 177 total E -8.43578E+01 rmsd from N 0.000 %NC 0.00 1 - 119.660-120.479 108.369 -77.877 - 116.988-104.411 147.454 -37.404 - 91.410 54.524 128.740 93.339 - 91.206 40.647 147.986 -95.655 - 90.972 47.369 117.726 -91.600 - 91.615 48.882 134.969 38.237 - 90.756 39.303 141.140-102.111 - 92.036 59.075 130.616-132.795 - 92.663 -80.266 129.045-127.447 - 125.140 -67.320 0.000 0.000 - 135.994 -33.147 0.000 0.000 - 108.841 -30.139 92.554 -81.839 - 90.570 93.290 129.877 151.142 - 91.506 -0.564 102.319 -80.149 - 116.537 -10.696 0.000 0.000 - 130.445 -74.296 131.262 -54.930 - 120.388-135.872 109.151-108.664 - 119.813-112.158 114.713-116.504 - 117.466-118.705 125.347-132.654 - 121.845 0.000 121.597 -80.964 - # 178 total E -8.42912E+01 rmsd from N 0.000 %NC 0.00 1 - 93.913 108.669 144.898 -0.061 - 92.722 162.180 138.637 -29.498 - 91.348 87.597 97.183 -76.252 - 90.367 51.964 141.474-107.356 - 90.373 46.066 86.505 -64.926 - 92.052 67.247 105.295 -67.479 - 91.609 151.983 152.033-135.914 - 92.294 90.222 134.054-119.212 - 91.919 -74.374 103.942 -82.787 - 94.562 165.621 0.000 0.000 - 134.335 -47.458 0.000 0.000 - 109.156-164.649 95.222 -88.940 - 93.302 90.665 114.528 -76.426 - 112.719 -93.503 115.353 -79.595 - 94.805 165.159 0.000 0.000 - 134.113 -76.208 158.376-106.762 - 117.982-105.622 116.314-123.149 - 120.791-144.904 112.435-112.222 - 92.727 59.480 96.063-105.645 - 93.357 0.000 108.405 -83.297 - # 179 total E -8.46944E+01 rmsd from N 0.000 %NC 0.00 1 - 93.968 126.356 143.791 -2.304 - 91.430 92.451 135.906 -12.548 - 90.484 46.409 99.389 -74.260 - 90.302 47.697 146.150 -99.788 - 89.649 49.664 124.436-137.222 - 89.402 63.654 115.213 -45.713 - 89.827 42.070 151.246-121.734 - 91.280 63.869 86.081 -73.667 - 92.055-102.522 138.864-115.489 - 94.579 139.157 0.000 0.000 - 115.776 -23.090 0.000 0.000 - 92.141 78.926 88.879 -69.720 - 90.678 97.144 111.983 -77.798 - 93.477 -41.883 119.853-142.994 - 96.802 93.235 0.000 0.000 - 129.801 -78.781 116.765-128.289 - 120.143-109.537 117.380-123.155 - 120.433-142.509 112.096-111.972 - 93.169 41.416 98.463 -96.837 - 93.418 0.000 113.360 -82.108 - # 180 total E -8.73086E+01 rmsd from N 0.000 %NC 0.00 1 - 93.877 120.767 146.918 -10.680 - 91.354 86.240 128.971 -14.793 - 90.801 45.914 93.614 -88.222 - 90.173 45.697 147.008 -96.801 - 90.128 42.918 120.999-128.759 - 90.956 48.375 144.726 28.598 - 90.398 43.792 131.376-158.960 - 92.049 75.434 136.903-133.800 - 90.632 -95.456 138.418-123.165 - 95.529 51.309 0.000 0.000 - 150.421 -71.173 0.000 0.000 - 129.961 164.298 105.076 -96.212 - 93.986 81.220 111.225 -80.021 - 121.358 -47.797 124.855 -80.293 - 95.703 89.106 0.000 0.000 - 123.703 -75.833 113.257-111.785 - 119.443-115.981 116.839-123.490 - 107.220-172.557 95.987 -95.042 - 92.396 52.852 98.083-105.927 - 93.366 0.000 106.426 -85.293 - # 181 total E -8.50602E+01 rmsd from N 0.000 %NC 0.00 1 - 93.968 125.597 143.452 -3.531 - 91.492 89.321 136.100 -19.942 - 90.901 48.130 127.125 100.207 - 89.926 43.880 147.636 -91.602 - 89.802 46.998 119.976-127.019 - 90.205 57.298 117.382 25.896 - 89.748 39.487 148.846-144.930 - 91.583 66.578 125.753-135.737 - 92.053 -57.264 138.587-122.497 - 122.790 -61.263 0.000 0.000 - 115.681 -16.206 0.000 0.000 - 104.750 -39.208 92.699 -83.720 - 94.854 -22.793 109.168 -73.497 - 108.881 -60.619 115.310 -77.407 - 95.097 75.587 0.000 0.000 - 125.721 -81.732 88.959 -63.989 - 116.963-109.313 114.483-118.192 - 117.339-140.553 131.963-141.109 - 93.414 67.910 102.472-101.722 - 93.317 0.000 113.404 -77.901 - # 182 total E -8.50551E+01 rmsd from N 0.000 %NC 0.00 1 - 93.767 96.296 148.666 -25.784 - 93.059 122.469 142.783 -30.429 - 129.281-100.409 94.700 -99.394 - 92.800 53.669 159.672-141.602 - 90.231 44.663 108.633 -36.779 - 90.573 50.898 147.445 85.477 - 90.402 66.454 138.045-123.276 - 91.024 22.474 132.837-127.774 - 94.284-105.974 110.136 -80.960 - 116.166 -63.002 0.000 0.000 - 99.438 -37.673 0.000 0.000 - 92.224 -45.383 95.248 -89.319 - 92.290 94.842 114.108 -76.244 - 126.448-105.874 116.772 -83.392 - 125.091-177.524 0.000 0.000 - 130.615 -85.197 128.008 -97.020 - 118.987-110.868 113.264-118.601 - 120.275-150.364 114.187-114.486 - 93.519 42.802 101.176-107.732 - 93.382 0.000 114.443 -80.013 - # 183 total E -8.76033E+01 rmsd from N 0.000 %NC 0.00 1 - 93.935 122.577 144.160 -8.037 - 91.521 89.425 134.354 -16.316 - 90.863 44.880 131.770 108.246 - 90.194 45.858 142.875 -89.754 - 89.637 43.312 122.571-131.659 - 90.142 54.713 138.634 4.800 - 90.365 41.265 144.425 165.757 - 91.983 73.549 130.112-134.423 - 92.298 -79.580 136.031-123.416 - 95.025 170.504 0.000 0.000 - 148.948 -39.665 0.000 0.000 - 90.142 53.112 131.730-160.761 - 90.363 50.803 111.311 -77.688 - 93.330-107.441 109.665 -78.677 - 96.263 141.796 0.000 0.000 - 124.699 -85.139 133.084 -57.506 - 118.085-110.211 116.797-122.877 - 118.120-141.740 113.362-115.393 - 93.325 66.637 103.043 -99.124 - 93.323 0.000 112.821 -78.568 - # 184 total E -9.01936E+01 rmsd from N 0.000 %NC 0.00 1 - 94.019 116.823 138.396 -7.317 - 91.485 79.857 147.000 -13.425 - 89.270 49.659 114.820 -64.906 - 89.567 43.136 168.546-161.036 - 89.606 46.403 134.286-109.267 - 89.709 56.911 112.099 23.707 - 90.098 37.621 143.436-129.144 - 92.025 69.586 126.811-141.065 - 93.139 -46.200 139.187-121.507 - 129.581-145.659 0.000 0.000 - 92.151 45.053 0.000 0.000 - 91.960 64.266 97.743 -96.662 - 92.622 -46.464 134.218-121.280 - 121.525-163.400 124.295 -77.674 - 128.890-177.842 0.000 0.000 - 129.267 -81.486 111.766-126.669 - 119.326-110.198 116.014-121.388 - 119.189-138.753 109.860-109.070 - 93.143 80.276 104.539-115.074 - 93.297 0.000 111.230 -77.975 - # 185 total E -8.70595E+01 rmsd from N 0.000 %NC 0.00 1 - 93.806 79.843 147.785 -20.600 - 91.791 80.247 149.284-132.116 - 89.958 79.257 123.464 -34.131 - 89.941 49.456 137.909 -97.957 - 89.546 42.889 108.474-108.529 - 90.117 60.614 103.701-133.448 - 89.701 61.007 146.817 -32.597 - 89.721 74.130 129.994-141.036 - 91.252-153.219 134.975-114.676 - 95.399 67.774 0.000 0.000 - 92.937 42.679 0.000 0.000 - 89.849 52.151 88.006 -68.907 - 89.547 71.813 115.599 -74.122 - 92.526 22.515 122.484-140.932 - 97.168 71.194 0.000 0.000 - 130.688 -88.909 126.968 -70.554 - 118.961-123.707 110.493-114.261 - 121.617-169.719 115.154-115.578 - 93.241 53.203 102.331 -96.022 - 93.350 0.000 111.321 -80.960 - # 186 total E -8.40936E+01 rmsd from N 0.000 %NC 0.00 1 - 93.763 98.899 149.057 -25.252 - 93.212 122.514 143.799 -29.221 - 125.648-100.439 90.580 -99.038 - 92.030 58.684 144.778-118.776 - 90.249 41.650 110.961 -34.742 - 90.640 50.532 147.707 102.636 - 90.649 48.877 145.751-118.312 - 91.413 48.087 137.279-141.549 - 92.243-115.964 140.207-108.474 - 93.675 125.558 0.000 0.000 - 107.979 -0.981 0.000 0.000 - 101.911-173.904 89.264 -93.448 - 117.630 175.442 142.953-165.230 - 121.696 -61.885 116.467 -83.097 - 113.033 -11.768 0.000 0.000 - 113.645 -81.066 97.877 -59.319 - 117.433-112.819 119.049-124.052 - 117.990-111.742 110.151-111.058 - 92.376 89.611 130.483-154.215 - 93.098 0.000 101.261 -76.751 - # 187 total E -8.49276E+01 rmsd from N 0.000 %NC 0.00 1 - 93.831 94.614 147.484 -14.805 - 91.380 71.029 141.462 -51.233 - 90.321 61.327 125.122 103.938 - 89.182 48.550 148.641 -91.140 - 90.459 43.908 109.278 -58.827 - 90.539 51.194 151.736 55.938 - 90.466 43.156 138.238-142.858 - 92.135 67.745 135.005-136.430 - 90.975 -67.451 140.634-118.177 - 109.964 -62.939 0.000 0.000 - 112.505 -67.152 0.000 0.000 - 92.280 67.331 131.835-157.670 - 93.341 110.548 113.438 -76.472 - 92.436 -53.773 117.514 -81.611 - 110.413 -27.846 0.000 0.000 - 128.520 -85.084 115.662 -57.239 - 116.863-110.202 115.370-122.222 - 119.419-140.632 110.136-109.074 - 117.488-119.559 128.427-137.368 - 121.751 0.000 121.986 -80.565 - # 188 total E -8.41066E+01 rmsd from N 0.000 %NC 0.00 1 - 93.932 126.895 145.966 -1.907 - 91.274 85.906 130.755 -1.293 - 89.445 56.823 97.954 -85.836 - 90.769 38.434 164.172-122.601 - 90.718 48.939 129.578-121.820 - 92.319 61.704 132.977 87.117 - 91.331 134.195 136.642-130.707 - 92.200 79.489 125.361-140.262 - 92.511 -83.377 104.712 -82.274 - 94.667 164.255 0.000 0.000 - 132.537 -54.842 0.000 0.000 - 93.138 83.739 92.526 -73.193 - 139.709-171.939 119.894 -87.307 - 117.275 -59.491 116.811 -77.431 - 95.689 73.960 0.000 0.000 - 123.815 -80.154 120.491-132.314 - 121.641-161.474 113.417-116.592 - 119.967-111.238 110.520-107.939 - 93.139 82.829 131.816-155.488 - 93.212 0.000 107.242 -77.205 - # 189 total E -8.80260E+01 rmsd from N 0.000 %NC 0.00 1 - 93.887 121.734 146.737 -9.040 - 91.314 84.322 126.215 -18.136 - 91.132 47.284 94.443 -88.869 - 90.447 43.021 151.442 -97.619 - 90.059 45.720 118.323-121.051 - 91.298 52.387 125.768 37.496 - 90.344 42.288 133.147-147.812 - 91.163 56.597 130.412-132.779 - 92.703 178.475 130.513-130.288 - 136.945 -69.357 0.000 0.000 - 108.564 -8.374 0.000 0.000 - 91.715 76.962 100.899 -96.962 - 90.922 -7.710 109.809 -76.553 - 106.660-119.572 110.672 -77.507 - 95.274 142.371 0.000 0.000 - 126.726 -84.553 152.131 -14.342 - 114.583-112.116 91.337 -88.157 - 117.169-141.903 122.451-128.097 - 93.384 72.031 136.123-161.032 - 93.308 0.000 113.416 -77.351 - # 190 total E -8.40697E+01 rmsd from N 0.000 %NC 0.00 1 - 93.930 123.609 144.829 -7.004 - 91.536 89.137 134.605 -16.711 - 90.506 49.519 97.226 -86.515 - 89.834 42.913 150.165 -99.127 - 90.105 45.738 122.274-127.123 - 90.992 51.869 123.027 54.802 - 90.387 42.628 129.941-153.325 - 92.275 65.058 131.252-134.836 - 92.096 -62.052 142.774-139.270 - 114.600-164.713 0.000 0.000 - 94.058 45.291 0.000 0.000 - 90.291 45.440 99.716 -99.565 - 90.913-167.381 111.227 -77.854 - 107.586 158.423 127.403-179.785 - 95.351 83.457 0.000 0.000 - 136.373 -85.253 108.494 -61.467 - 117.204-107.197 108.216-111.067 - 115.580-143.985 116.248-120.049 - 93.713 73.297 132.263-158.339 - 93.306 0.000 113.385 -77.248 - # 191 total E -8.47248E+01 rmsd from N 0.000 %NC 0.00 1 - 94.005 126.485 141.746 -1.692 - 91.447 90.160 135.588 -16.701 - 90.847 48.802 126.295 108.087 - 90.106 42.793 149.403 -92.167 - 90.200 48.608 121.111-127.929 - 90.400 48.503 151.440 38.273 - 90.108 49.012 138.333-129.350 - 90.822 61.357 134.336-134.921 - 91.673-124.751 134.137-110.836 - 94.973 133.425 0.000 0.000 - 133.777 -56.287 0.000 0.000 - 100.877 174.938 97.416 -86.498 - 93.687 100.935 130.689-179.565 - 93.632 -16.319 113.406 -77.464 - 124.258 -38.961 0.000 0.000 - 123.917 -79.734 134.535 73.967 - 118.411-110.347 120.000-126.873 - 118.522-139.619 116.753-118.754 - 93.505 76.491 132.327-156.205 - 93.300 0.000 112.643 -77.360 - # 192 total E -8.70654E+01 rmsd from N 0.000 %NC 0.00 1 - 93.905 114.571 144.286 -11.756 - 91.603 84.628 134.336 -17.101 - 91.691 41.591 147.381 109.429 - 90.833 48.073 140.317 -92.095 - 89.745 44.672 118.613-129.291 - 90.294 46.111 150.060 7.137 - 90.838 52.745 135.185 175.517 - 91.916 58.879 129.309-108.359 - 92.118-102.494 111.724 -80.346 - 94.391 148.807 0.000 0.000 - 137.699 -46.084 0.000 0.000 - 106.844-178.191 92.476 -82.775 - 93.302 112.681 115.411 -76.726 - 120.867 -87.216 114.379 -81.334 - 95.929 85.017 0.000 0.000 - 132.303 -87.397 89.829 -62.702 - 117.792-106.488 120.438-127.466 - 121.048-140.002 107.483-104.914 - 92.774 85.534 101.805-111.196 - 93.291 0.000 108.665 -79.196 - # 193 total E -8.79212E+01 rmsd from N 0.000 %NC 0.00 1 - 93.932 130.108 146.932 -4.958 - 107.487-174.565 138.005 -26.879 - 111.488-167.909 118.722-124.158 - 90.035 53.838 145.397-104.036 - 89.225 42.903 109.154 -92.508 - 90.745 56.775 148.280 -25.855 - 90.110 40.882 137.058-159.989 - 91.519 73.991 99.472 -98.802 - 90.774 -55.787 133.200-137.678 - 109.340 -71.775 0.000 0.000 - 101.510 -26.913 0.000 0.000 - 92.917 101.089 140.676-168.800 - 93.276 106.101 114.841 -78.444 - 121.053 -86.330 133.308-162.111 - 95.894 75.733 0.000 0.000 - 127.149 -78.116 134.507 -88.451 - 118.797-113.327 114.652-119.963 - 123.654-164.970 112.110-110.830 - 93.381 57.098 103.968-104.144 - 93.342 0.000 111.948 -80.153 - # 194 total E -8.43908E+01 rmsd from N 0.000 %NC 0.00 1 - 93.991 114.339 139.794 -7.703 - 91.646 78.530 139.201 -12.687 - 90.265 49.040 109.577 -72.181 - 90.651 37.600 164.860-126.083 - 90.421 46.976 125.045-107.117 - 91.167 45.245 136.859 88.808 - 90.964 45.981 133.166-107.757 - 91.464 45.468 138.475-142.086 - 93.484-165.712 145.637 -23.264 - 93.814 134.934 0.000 0.000 - 133.304 -38.443 0.000 0.000 - 93.730 84.694 99.212-100.512 - 124.303-105.997 121.220 -76.580 - 127.489 -86.802 121.269 -80.003 - 119.398-175.264 0.000 0.000 - 127.209 -88.072 110.634-128.597 - 119.400-112.046 117.307-122.799 - 120.358-137.647 110.104-108.853 - 117.748-118.805 120.825-126.110 - 121.908 0.000 121.597 -81.080 - # 195 total E -8.63792E+01 rmsd from N 0.000 %NC 0.00 1 - 93.723 98.982 151.755 -25.109 - 92.951 129.609 136.729 -32.995 - 132.187 -97.847 95.263 -97.769 - 92.488 61.579 160.918-151.165 - 90.378 43.980 119.891 -51.729 - 90.377 54.945 122.326 43.373 - 89.912 50.582 134.303-138.716 - 90.329 53.934 131.491-134.283 - 91.570 166.267 141.612-125.164 - 95.405 100.310 0.000 0.000 - 132.976 -52.377 0.000 0.000 - 93.687 77.685 132.440-155.835 - 93.978 -55.047 117.001 -75.851 - 131.048-159.551 125.105 -79.569 - 115.816 172.280 0.000 0.000 - 133.306 -75.048 112.571-124.194 - 117.340-103.948 114.353-121.167 - 117.759-145.728 110.373-110.690 - 93.113 61.215 108.223-126.354 - 93.333 0.000 113.281 -78.792 - # 196 total E -8.88714E+01 rmsd from N 0.000 %NC 0.00 1 - 93.809 55.187 146.296 -24.772 - 93.495 177.120 138.178 -50.802 - 111.668 166.363 110.684 -64.711 - 90.162 75.017 124.935-113.996 - 89.492 51.429 104.021-106.620 - 89.732 55.312 123.889 37.407 - 90.288 38.234 143.361-171.988 - 92.218 65.539 129.310-132.683 - 92.033 -65.781 136.619-127.006 - 118.673 -55.476 0.000 0.000 - 119.359 -46.723 0.000 0.000 - 113.273 107.580 133.551-146.502 - 93.068 109.186 115.714 -76.393 - 130.554-101.932 113.771 -83.089 - 95.201 70.871 0.000 0.000 - 127.243 -85.038 113.794-106.642 - 115.924-115.168 88.557 -87.255 - 119.508-143.032 117.819-119.763 - 92.681 71.849 131.943-154.581 - 93.330 0.000 109.509 -80.977 - # 197 total E -8.75237E+01 rmsd from N 0.000 %NC 0.00 1 - 93.937 121.105 143.601 -9.196 - 91.550 88.593 134.566 -15.133 - 91.216 43.449 138.069 109.774 - 90.543 48.800 142.732 -90.197 - 89.804 45.609 122.420-132.569 - 90.052 46.978 143.574 -21.789 - 90.726 45.017 138.939-161.916 - 92.292 62.207 137.284-131.252 - 91.751-104.512 112.112 -77.445 - 94.515 135.985 0.000 0.000 - 125.046 -40.547 0.000 0.000 - 110.277-166.429 86.815 -69.364 - 92.403 80.871 138.622-113.421 - 92.317 -85.355 110.018 -76.907 - 94.633 165.256 0.000 0.000 - 125.920 -69.166 149.257 -33.937 - 117.893-108.086 112.289-115.240 - 119.015-139.128 120.081-123.072 - 93.373 69.555 100.437-105.862 - 93.319 0.000 112.718 -78.294 - # 198 total E -8.55803E+01 rmsd from N 0.000 %NC 0.00 1 - 93.969 108.326 141.411 -2.340 - 92.404 151.626 139.114 -21.930 - 90.252 89.880 99.152 -94.253 - 88.799 45.101 148.222-110.624 - 89.406 47.715 95.577 -59.263 - 90.563 48.085 127.466 63.513 - 90.294 47.855 137.733-111.879 - 90.750 50.975 133.516-136.901 - 92.094 172.613 141.924-126.309 - 94.915 136.356 0.000 0.000 - 125.184 -31.439 0.000 0.000 - 93.936 82.352 97.096 -98.334 - 125.283-104.951 122.273 -75.326 - 129.859 -89.462 122.490 -80.554 - 127.715-172.190 0.000 0.000 - 127.285 -88.415 110.809-109.052 - 118.893-108.400 126.447-137.389 - 113.466-136.516 98.521 -85.916 - 93.051 86.202 104.301-112.916 - 93.271 0.000 109.835 -77.491 - # 199 total E -8.33463E+01 rmsd from N 0.000 %NC 0.00 1 - 93.892 122.435 146.593 -8.774 - 91.301 85.712 128.232 -14.656 - 90.786 46.817 94.124 -86.370 - 90.389 44.385 150.499-100.134 - 90.258 43.762 120.725-125.928 - 91.335 49.363 134.375 29.902 - 90.304 45.271 132.622-144.575 - 92.155 79.759 135.892-133.304 - 91.067 -96.142 140.659-130.780 - 95.760 49.487 0.000 0.000 - 145.863 -72.588 0.000 0.000 - 127.952 165.038 113.462-110.010 - 93.881 87.260 108.287 -74.771 - 139.259-179.346 125.066 -84.257 - 93.886 66.196 0.000 0.000 - 107.576 -66.050 71.850 -73.386 - 115.107-107.469 120.539-128.328 - 119.446-140.505 113.472-113.291 - 93.318 51.461 95.537-100.970 - 93.370 0.000 111.790 -81.424 - # 200 total E -8.80601E+01 rmsd from N 0.000 %NC 0.00 1 - 93.739 111.582 152.847 -19.319 - 93.056 123.646 131.754 -38.419 - 127.474 -95.755 94.494 -91.283 - 91.516 55.068 144.378-114.546 - 89.842 41.917 123.896 -89.878 - 90.079 66.563 117.540 -28.361 - 89.985 43.830 154.443-150.333 - 90.869 74.981 83.819 -77.727 - 91.763 -77.116 138.277-120.542 - 95.834 171.611 0.000 0.000 - 142.218 -53.265 0.000 0.000 - 132.254 157.147 107.496-101.272 - 92.857 104.128 113.608 -76.082 - 127.914 -55.589 119.930 -82.230 - 95.565 82.115 0.000 0.000 - 120.155 -81.154 117.612 -57.419 - 122.416-163.352 116.362-119.533 - 110.317-165.856 136.768-153.956 - 94.195 29.163 90.577 -80.186 - 93.431 0.000 116.281 -80.262 diff --git a/examples/unres/CSA/GAB/CSA/1l2y_csa.CSA.bank1 b/examples/unres/CSA/GAB/CSA/1l2y_csa.CSA.bank1 deleted file mode 100644 index 6a3be4d..0000000 --- a/examples/unres/CSA/GAB/CSA/1l2y_csa.CSA.bank1 +++ /dev/null @@ -1,4202 +0,0 @@ - 0 - jlee = 1 nbank = 200 nstep = 40569 353.74693 - # 1 total E -8.81150E+01 rmsd from N 0.000 %NC 0.00 0 - 93.990 118.584 140.326 -7.307 - 91.447 79.488 147.399 -18.868 - 89.250 52.101 115.986 -64.212 - 89.454 42.823 166.971-160.578 - 89.375 48.178 133.527-105.287 - 89.322 58.803 120.573 29.222 - 89.262 58.460 142.194-136.251 - 88.646 47.455 116.823-126.356 - 91.012 170.968 137.578-112.669 - 95.592 99.745 0.000 0.000 - 130.936 -52.670 0.000 0.000 - 93.989 81.424 132.410-155.639 - 94.658 -58.171 118.772 -76.349 - 134.616-159.400 126.317 -80.337 - 116.750 174.153 0.000 0.000 - 131.456 -83.154 111.847-127.276 - 118.942-109.491 115.303-120.605 - 119.281-138.861 109.907-109.156 - 93.135 79.732 104.378-114.504 - 93.299 0.000 111.237 -78.065 - # 2 total E -8.67267E+01 rmsd from N 0.000 %NC 0.00 0 - 93.826 104.792 146.988 -19.144 - 93.135 126.135 140.527 -27.567 - 123.723 -90.073 90.173 -93.684 - 91.194 54.643 146.338-117.578 - 90.307 38.839 122.346 -96.930 - 90.864 63.979 119.179 -19.508 - 90.004 49.209 144.424 -56.551 - 89.892 79.206 83.959 -79.055 - 91.589 0.004 137.710-123.700 - 108.600 -88.987 0.000 0.000 - 116.395 -53.390 0.000 0.000 - 92.339 74.412 100.283 -95.978 - 93.112 143.227 113.018 -76.987 - 93.170 -74.286 124.754-139.596 - 94.396 52.975 0.000 0.000 - 131.643 -78.650 128.072-125.852 - 116.879-106.359 116.292-123.194 - 119.989-152.756 116.905-117.910 - 93.942 32.843 92.493 -98.618 - 93.458 0.000 114.090 -82.928 - # 3 total E -9.08499E+01 rmsd from N 0.000 %NC 0.00 0 - 93.857 122.312 148.545 -9.450 - 91.447 83.359 127.929 -32.555 - 91.864 44.212 92.850 -82.744 - 91.052 43.889 147.668 -99.646 - 90.003 42.858 119.542-113.378 - 90.967 52.580 164.372 10.804 - 90.463 46.072 131.717-166.475 - 91.611 74.437 108.090-102.993 - 90.419 -65.214 129.812-137.858 - 103.314 -66.291 0.000 0.000 - 98.761 -31.870 0.000 0.000 - 92.857 104.217 139.924-168.549 - 94.389 102.541 113.487 -77.138 - 122.736 -95.184 119.902 -77.610 - 94.723 81.064 0.000 0.000 - 130.876 -69.062 129.418 -94.972 - 118.974-107.764 109.607-113.858 - 118.418-139.267 110.478-111.527 - 117.211-118.166 127.230-136.658 - 121.767 0.000 121.486 -80.867 - # 4 total E -8.65042E+01 rmsd from N 0.000 %NC 0.00 0 - 118.428-106.794 152.114 -14.469 - 122.382 170.385 157.117 -10.511 - 92.460 75.536 141.704 88.121 - 90.578 43.539 150.217 -94.604 - 90.230 48.428 117.743 -67.271 - 91.412 48.732 133.010 41.830 - 90.895 39.526 137.836-125.943 - 92.340 59.516 130.951-132.106 - 92.555 -77.681 131.884-129.215 - 122.042 -63.536 0.000 0.000 - 130.483 -38.758 0.000 0.000 - 105.708 -30.484 91.554 -80.720 - 91.808 100.160 114.551 -75.927 - 92.775 10.821 105.654 -79.981 - 123.856 -11.381 0.000 0.000 - 116.976 -74.517 91.422 -59.109 - 115.774-108.128 118.183-121.748 - 119.086-140.941 131.557-140.705 - 92.995 71.190 98.857 -98.071 - 93.410 0.000 126.050-130.920 - # 5 total E -8.59012E+01 rmsd from N 0.000 %NC 0.00 0 - 93.932 110.439 142.804 -9.286 - 91.715 77.780 134.227 -21.411 - 91.890 44.767 99.879 -71.423 - 91.628 38.409 147.988-107.986 - 90.922 44.790 116.429-110.364 - 92.056 45.976 132.489 100.979 - 90.958 76.656 135.785-121.384 - 91.159 18.904 136.023-122.257 - 94.111-112.708 107.102 -79.232 - 93.623 149.374 0.000 0.000 - 140.389 -36.626 0.000 0.000 - 94.078 87.058 88.009 -85.406 - 128.861-114.237 125.172 -82.874 - 128.836 -83.459 122.056 -80.224 - 95.371 166.545 0.000 0.000 - 129.744 -83.473 130.101-124.926 - 118.608-109.641 119.001-126.397 - 120.700-137.121 108.403-106.069 - 93.582 73.662 124.993-145.411 - 93.314 0.000 111.270 -79.006 - # 6 total E -8.41265E+01 rmsd from N 0.000 %NC 0.00 0 - 93.724 96.090 150.832 -27.321 - 92.828 124.386 140.890 -44.174 - 130.287 -94.037 91.611 -98.538 - 92.257 53.660 148.853-109.656 - 91.334 38.215 113.941 -82.030 - 92.370 50.164 155.271 95.129 - 90.971 43.812 139.950-108.147 - 91.978 68.744 140.094-134.528 - 92.657-117.310 139.127-133.677 - 135.826 -69.534 0.000 0.000 - 92.521 49.373 0.000 0.000 - 89.508 49.371 98.578-100.079 - 88.453 59.496 108.564 -76.458 - 91.137 37.770 116.071 -76.656 - 94.401 70.368 0.000 0.000 - 112.305 -58.797 131.589-111.779 - 118.376-106.622 117.876-125.665 - 120.029-140.656 112.646-112.922 - 93.105 54.997 93.909-102.059 - 93.359 0.000 111.800 -80.950 - # 7 total E -8.52861E+01 rmsd from N 0.000 %NC 0.00 0 - 93.707 46.555 109.267 -80.906 - 92.879 168.664 142.601 -25.672 - 91.119 85.177 131.719 -95.468 - 89.602 52.764 146.624-101.648 - 89.285 45.899 109.099 -74.668 - 90.110 54.687 125.904 42.568 - 90.307 39.701 134.877-155.270 - 92.268 63.058 128.723-135.762 - 91.899 -66.383 139.893-124.016 - 115.292 -57.637 0.000 0.000 - 117.459 -55.311 0.000 0.000 - 110.430 164.422 130.941-142.699 - 93.424 72.491 114.598 -77.877 - 93.816 -99.227 110.725 -77.446 - 93.906 148.111 0.000 0.000 - 130.652-111.314 126.208 -70.281 - 117.925-110.280 119.362-126.708 - 120.188-142.334 116.014-116.337 - 93.409 67.219 103.319 -95.018 - 93.321 0.000 112.907 -78.443 - # 8 total E -8.92623E+01 rmsd from N 0.000 %NC 0.00 0 - 93.952 125.444 144.327 -3.866 - 91.304 86.281 127.537 -23.910 - 91.553 44.715 123.659 89.875 - 90.894 43.749 150.495 -94.584 - 90.639 45.223 118.407-120.101 - 91.937 50.447 134.948 32.353 - 90.851 37.650 141.074 -90.929 - 92.295 60.561 131.004-133.228 - 92.822 -75.844 129.379-134.452 - 126.296 -67.647 0.000 0.000 - 136.127 -32.305 0.000 0.000 - 109.063 -30.724 91.807 -81.320 - 90.635 93.773 129.778 141.142 - 91.586 2.122 103.728 -80.081 - 118.857 -12.339 0.000 0.000 - 129.510 -73.276 127.423 -59.160 - 121.190-147.800 110.218-110.301 - 121.373-108.804 112.773-113.211 - 118.296-118.579 116.846-120.919 - 121.884 0.000 121.496 -81.088 - # 9 total E -8.39389E+01 rmsd from N 0.000 %NC 0.00 0 - 93.711 46.092 108.921 -80.657 - 93.139 168.374 139.385 -37.084 - 105.938 170.994 116.181 -75.527 - 91.797 61.518 140.587-106.775 - 90.064 43.113 114.813-108.066 - 91.752 53.535 132.991 34.884 - 90.671 37.185 144.854-119.617 - 92.304 63.011 129.981-134.205 - 91.960 -72.153 130.485-131.621 - 119.384 -66.571 0.000 0.000 - 130.960 -41.850 0.000 0.000 - 106.175 -28.903 92.475 -83.908 - 91.470 97.554 130.149 135.334 - 91.780 5.977 106.718 -79.293 - 119.572 -12.186 0.000 0.000 - 128.212 -77.123 100.271 -58.050 - 116.744-106.447 119.043-123.478 - 118.135-115.438 141.533-154.397 - 118.398-118.579 116.663-121.276 - 121.887 0.000 121.492 -81.096 - # 10 total E -8.41036E+01 rmsd from N 0.000 %NC 0.00 0 - 93.788 52.862 146.966 -26.610 - 92.888 170.368 140.973 -22.873 - 91.569 84.978 132.859 109.571 - 88.007 49.057 147.128 -93.165 - 88.590 51.527 84.848 -66.453 - 89.061 47.227 159.797 103.262 - 90.010 62.773 142.246 -98.528 - 90.256 31.941 135.058-131.795 - 92.845-115.848 106.586 -79.756 - 94.435 149.839 0.000 0.000 - 132.921 -52.010 0.000 0.000 - 92.201 66.163 96.882 -97.485 - 91.320 97.185 107.810 -76.727 - 92.544 40.840 115.779 -81.473 - 95.663 80.774 0.000 0.000 - 122.019 -89.066 84.051 -64.410 - 118.516-109.710 120.131-126.347 - 118.662-138.240 112.223-112.437 - 93.112 81.195 103.492-103.496 - 93.296 0.000 110.570 -78.366 - # 11 total E -8.37064E+01 rmsd from N 0.000 %NC 0.00 0 - 118.290-161.337 146.504 -15.550 - 117.578-108.173 144.812 -35.218 - 91.326 58.748 134.008 113.471 - 90.163 45.113 142.087 -95.092 - 89.483 44.365 118.161 -90.607 - 90.314 57.180 149.147 7.729 - 90.350 41.765 137.257 164.479 - 91.775 69.763 100.860-103.098 - 92.344 -85.962 135.794-117.650 - 94.350 166.995 0.000 0.000 - 150.614 -39.605 0.000 0.000 - 89.702 52.560 131.605-161.232 - 90.120 49.493 109.679 -79.640 - 93.605-106.868 110.214 -78.529 - 96.585 142.254 0.000 0.000 - 124.046 -82.831 132.523 -56.934 - 118.046-109.974 118.708-125.697 - 118.910-140.324 109.727-110.159 - 93.221 71.451 102.522-103.323 - 93.314 0.000 112.272 -78.417 - # 12 total E -8.49507E+01 rmsd from N 0.000 %NC 0.00 0 - 93.895 123.668 145.574 -14.488 - 112.209 178.104 149.267 -19.621 - 123.036 -82.256 122.837-126.809 - 90.614 65.598 147.079 -95.027 - 89.652 41.487 98.754 -83.886 - 89.836 60.689 124.760-128.590 - 89.973 46.077 141.602 -46.354 - 91.706 97.515 131.373-139.123 - 91.686 -12.586 145.182-113.300 - 103.758 -72.133 0.000 0.000 - 99.376 -18.023 0.000 0.000 - 93.528 95.682 99.353 -96.000 - 117.974 132.123 121.383 -79.571 - 94.836 -78.979 111.953 -79.344 - 93.958 65.732 0.000 0.000 - 133.094 -78.025 133.936-117.904 - 119.814-107.799 114.041-119.052 - 119.215-139.303 117.325-118.453 - 93.179 78.574 102.529-111.031 - 93.303 0.000 111.143 -78.372 - # 13 total E -8.61962E+01 rmsd from N 0.000 %NC 0.00 0 - 93.874 120.821 147.156 -10.236 - 91.299 84.402 124.145 -17.509 - 90.909 48.166 94.047 -89.577 - 90.378 42.993 150.530 -96.450 - 90.245 45.374 116.856-125.734 - 90.941 51.919 128.555 54.552 - 89.945 52.198 132.345-150.179 - 90.155 42.557 134.067-135.109 - 92.070 168.023 141.057-123.531 - 96.424 102.166 0.000 0.000 - 137.342 -73.878 0.000 0.000 - 123.841 -69.503 107.567-103.615 - 89.992 82.396 124.036 157.194 - 92.262 16.941 111.396 -78.839 - 114.558 -27.351 0.000 0.000 - 126.891 -82.665 153.950 -29.277 - 119.419-113.260 109.547-111.270 - 116.476-140.159 130.824-141.262 - 114.633-117.619 141.823-155.715 - 121.561 0.000 121.392 -80.514 - # 14 total E -8.52436E+01 rmsd from N 0.000 %NC 0.00 0 - 93.883 122.050 146.930 -9.714 - 91.321 87.283 128.797 -15.102 - 90.790 47.492 95.638 -88.502 - 89.923 44.077 147.152 -95.649 - 90.435 43.596 122.415-126.954 - 91.312 44.758 126.769 81.408 - 90.694 48.305 129.499-153.869 - 90.623 57.157 141.260-133.356 - 90.961-156.897 143.160-147.317 - 95.044 100.573 0.000 0.000 - 93.496 44.007 0.000 0.000 - 90.080 47.214 101.727 -65.158 - 90.334 93.359 134.296-117.684 - 94.558 -45.288 114.273 -80.404 - 97.360 90.337 0.000 0.000 - 127.981 -82.262 124.882-123.972 - 119.686-109.495 122.237-131.321 - 113.511-116.064 97.529 -85.226 - 92.853 69.967 102.152-107.744 - 93.411 0.000 123.667-133.604 - # 15 total E -8.51081E+01 rmsd from N 0.000 %NC 0.00 0 - 93.959 109.532 139.719 -15.705 - 93.194 102.217 146.898 -28.249 - 125.593-111.237 95.667 -96.037 - 92.779 61.075 146.810-116.795 - 90.788 32.217 108.131 -39.468 - 91.719 57.909 149.443 105.126 - 90.797 70.613 153.900-171.075 - 89.344 89.778 125.294-118.928 - 92.392 -44.745 106.981 -95.044 - 97.569 83.923 0.000 0.000 - 133.198 -56.072 0.000 0.000 - 134.042 166.838 99.544 -86.068 - 129.414 161.049 121.452 -80.654 - 118.396 -80.302 113.013 -79.220 - 94.470 61.178 0.000 0.000 - 124.669 -78.877 84.317 -66.290 - 116.276-110.084 118.558-125.414 - 120.845-141.437 110.585-109.005 - 92.586 96.550 103.073-110.540 - 93.342 0.000 111.377-110.157 - # 16 total E -8.64422E+01 rmsd from N 0.000 %NC 0.00 0 - 93.857 102.597 146.716 -11.570 - 91.514 76.925 142.818 -32.151 - 91.716 43.960 167.472 14.798 - 90.699 48.451 138.747 -80.886 - 89.842 43.372 115.481-127.593 - 89.927 53.804 121.638 -72.050 - 89.715 53.754 146.798 175.612 - 90.159 68.109 135.148-133.759 - 91.755-149.096 140.207-127.626 - 95.481 74.219 0.000 0.000 - 92.749 45.421 0.000 0.000 - 89.940 58.147 83.973 -89.577 - 90.399 156.129 113.685 -76.057 - 92.348 -62.502 117.298-161.159 - 94.989 64.761 0.000 0.000 - 132.839 -98.723 66.683 -80.440 - 120.659-160.263 111.171-113.561 - 116.463-169.199 114.799-118.079 - 93.807 35.473 101.188 -96.405 - 93.379 0.000 116.051 -78.691 - # 17 total E -8.59538E+01 rmsd from N 0.000 %NC 0.00 0 - 93.827 104.482 146.454 -22.186 - 93.172 114.534 143.837 -28.164 - 128.973 -98.654 92.640 -95.293 - 91.411 62.800 145.203-110.683 - 89.983 40.979 117.896 -99.516 - 90.056 61.591 127.348 37.132 - 89.589 42.012 142.572-161.221 - 91.335 65.441 128.127-138.074 - 91.143 -63.701 142.067-136.601 - 113.559-174.372 0.000 0.000 - 92.951 49.694 0.000 0.000 - 89.405 55.466 96.970 -97.348 - 88.874 37.168 112.086 -79.999 - 93.883-131.316 108.544 -73.373 - 94.332 152.346 0.000 0.000 - 134.363-107.216 145.265 -76.289 - 118.998-110.449 114.445-120.166 - 121.679-162.897 115.200-115.129 - 93.853 50.205 98.633 -99.737 - 93.408 0.000 130.706-136.270 - # 18 total E -8.45210E+01 rmsd from N 0.000 %NC 0.00 0 - 93.953 127.191 144.969 -1.089 - 91.167 86.647 130.454 -2.872 - 89.814 51.649 100.272 -86.348 - 90.195 44.262 159.196 -98.332 - 90.282 42.493 127.898-133.920 - 92.095 55.901 126.800 92.808 - 91.791 176.571 137.226-138.467 - 93.399 100.005 129.314-115.182 - 120.345-113.776 110.476 -81.914 - 95.981 77.603 0.000 0.000 - 93.519 45.885 0.000 0.000 - 90.425 60.157 88.620 -86.690 - 90.373 139.876 113.694 -77.491 - 91.776 -72.920 115.687-150.684 - 94.486 52.111 0.000 0.000 - 129.378 -97.473 110.923 -52.863 - 117.196-111.000 116.391-121.205 - 117.284-119.430 116.366-116.842 - 93.277 86.087 132.259-155.901 - 93.206 0.000 107.610 -76.511 - # 19 total E -8.61206E+01 rmsd from N 0.000 %NC 0.00 0 - 93.898 123.071 146.459 -8.052 - 91.257 86.247 126.609 -15.821 - 90.816 47.288 97.119 -90.113 - 89.868 44.624 150.273 -97.572 - 90.350 45.515 122.731-125.381 - 91.480 46.071 124.856 68.781 - 91.064 43.687 127.436-144.731 - 91.771 48.766 137.212-133.376 - 93.023-142.626 136.256-127.949 - 128.925 -71.833 0.000 0.000 - 107.791 -17.034 0.000 0.000 - 91.825 87.093 100.956 -96.613 - 91.338 14.445 109.293 -77.127 - 95.538-125.737 106.249 -76.511 - 94.776 146.046 0.000 0.000 - 126.530 -82.524 154.949 -18.589 - 117.771-108.928 112.437-116.521 - 119.258-139.831 111.768-112.072 - 116.714-118.093 130.733-141.216 - 121.730 0.000 121.490 -80.782 - # 20 total E -8.63547E+01 rmsd from N 0.000 %NC 0.00 0 - 117.661-172.276 145.473 -17.583 - 117.422-109.496 147.783 -37.913 - 91.420 54.836 131.249 95.347 - 90.722 41.093 146.410 -93.652 - 90.675 48.516 123.271-123.577 - 91.523 47.830 135.391 34.031 - 91.011 39.280 141.615-113.785 - 92.487 58.276 130.747-131.573 - 93.095 -76.040 134.179-137.607 - 126.707 -66.732 0.000 0.000 - 136.309 -31.927 0.000 0.000 - 107.805 -31.703 91.131 -79.308 - 91.158 95.913 114.031 -75.218 - 92.697 7.197 103.021 -80.950 - 123.434 -10.079 0.000 0.000 - 122.001 -67.929 115.460 -61.290 - 118.810-138.300 108.440-108.331 - 126.303-169.905 120.350-121.900 - 93.332 56.964 93.798 -94.616 - 93.341 0.000 112.040 -80.041 - # 21 total E -8.59369E+01 rmsd from N 0.000 %NC 0.00 0 - 93.848 109.625 147.243 -13.346 - 91.654 82.672 132.367 -21.970 - 93.047 37.996 174.353 177.918 - 90.948 52.415 131.914 -82.427 - 89.603 47.506 117.017-130.821 - 89.436 54.674 111.613 -56.948 - 89.868 42.952 154.044-173.639 - 92.704 69.222 129.596-135.205 - 91.791 -58.793 151.529-130.368 - 109.995 -68.968 0.000 0.000 - 102.409 -26.438 0.000 0.000 - 93.132 104.760 135.531-161.843 - 94.002 78.711 113.220 -77.149 - 94.285 -89.174 110.519 -76.410 - 93.200 163.412 0.000 0.000 - 141.506 -92.841 72.488 -68.762 - 114.435-103.235 117.713-129.123 - 120.513-141.428 106.870-103.901 - 116.737-118.907 131.172-143.857 - 121.820 0.000 121.697 -80.854 - # 22 total E -8.68956E+01 rmsd from N 0.000 %NC 0.00 0 - 93.979 115.212 140.619 -8.075 - 91.572 78.292 143.327 -17.987 - 89.764 52.198 112.994 -68.621 - 89.868 38.660 163.550-148.364 - 89.506 49.015 114.211 -22.560 - 89.399 53.284 137.279 89.834 - 89.958 56.059 139.749-121.695 - 91.091 65.921 130.449-135.485 - 92.653 -99.175 147.334-157.131 - 142.007 -76.252 0.000 0.000 - 93.668 44.200 0.000 0.000 - 91.992 55.713 97.251 -96.767 - 93.025 -60.356 112.255 -72.986 - 129.702-158.464 124.373 -81.182 - 119.374 164.538 0.000 0.000 - 127.014 -83.118 116.382-128.382 - 118.642-110.413 114.745-119.950 - 119.364-139.567 110.879-110.475 - 93.164 76.853 104.021-113.698 - 93.304 0.000 111.645 -78.204 - # 23 total E -8.66679E+01 rmsd from N 0.000 %NC 0.00 0 - 93.971 121.646 142.995 -8.512 - 91.591 89.447 139.002 -15.870 - 91.192 44.779 140.001 112.131 - 90.529 46.423 144.078 -93.172 - 89.748 47.941 122.980-128.489 - 89.976 42.962 151.719 -27.151 - 90.405 54.839 136.223-150.218 - 90.726 43.143 125.385-103.749 - 91.234-116.725 101.957 -81.557 - 93.848 153.226 0.000 0.000 - 92.910 46.664 0.000 0.000 - 89.702 48.391 125.633-148.767 - 90.738 53.979 111.923 -76.833 - 93.177-113.394 111.737 -76.793 - 95.061 154.472 0.000 0.000 - 126.044 -84.231 136.627 -61.123 - 117.399-111.561 115.310-121.696 - 118.946-162.011 111.512-112.694 - 93.293 72.257 101.314-106.832 - 93.416 0.000 124.566-136.341 - # 24 total E -9.07614E+01 rmsd from N 0.000 %NC 0.00 0 - 93.954 125.226 144.117 -4.171 - 91.301 86.551 128.224 -22.545 - 91.425 44.851 126.145 93.962 - 90.397 45.103 149.883 -93.022 - 90.336 45.461 117.915-125.861 - 91.588 49.328 134.193 29.824 - 90.985 38.452 142.868-108.960 - 92.506 59.038 132.639-132.987 - 92.889 -71.960 135.325-141.960 - 126.946 -68.369 0.000 0.000 - 136.328 -32.214 0.000 0.000 - 107.422 -31.464 90.962 -80.483 - 91.370 96.173 112.965 -74.544 - 92.311 9.814 104.566 -80.295 - 124.422 -8.787 0.000 0.000 - 127.393 -66.660 117.710 -65.682 - 109.608-164.060 95.932 -90.230 - 129.298-142.739 111.611-109.082 - 92.417 85.253 95.798 -99.108 - 93.306 0.000 107.012 -81.019 - # 25 total E -8.76398E+01 rmsd from N 0.000 %NC 0.00 0 - 93.796 113.543 147.996 -23.951 - 114.224 173.463 143.452 -32.067 - 119.432 165.476 103.125 -76.377 - 91.030 54.170 132.973-112.628 - 89.723 48.840 89.127 -69.534 - 90.336 68.341 154.736 -93.286 - 90.302 49.575 144.679 -48.297 - 91.407 99.289 107.656-123.032 - 91.651 -26.784 144.221-125.422 - 102.074 -72.110 0.000 0.000 - 98.697 -23.154 0.000 0.000 - 93.613 104.815 133.774-157.428 - 93.874 111.698 118.455 -75.336 - 125.521 -99.197 117.118 -88.846 - 96.154 63.126 0.000 0.000 - 129.990 -78.036 151.785 -14.287 - 115.115-112.324 91.363 -88.129 - 117.898-145.786 117.673-120.859 - 93.529 65.175 128.875-152.569 - 93.335 0.000 111.119 -80.300 - # 26 total E -8.64394E+01 rmsd from N 0.000 %NC 0.00 0 - 93.813 77.555 147.303 -20.785 - 91.893 82.737 152.028-138.335 - 90.234 85.262 128.963 -40.604 - 89.501 61.229 136.409-101.428 - 89.638 43.901 98.370 -99.837 - 90.415 60.153 146.523 35.995 - 90.134 61.053 138.122 -51.356 - 90.561 106.686 130.283-141.555 - 91.166 -21.269 144.934 -47.496 - 100.268 -73.700 0.000 0.000 - 99.253 -21.311 0.000 0.000 - 93.218 102.143 133.423-156.326 - 93.847 120.410 119.112 -75.154 - 121.598 -95.001 117.213 -87.529 - 95.544 52.727 0.000 0.000 - 129.973 -81.432 93.752 -79.127 - 118.345-114.254 112.755-117.103 - 122.434-144.749 114.740-114.370 - 92.528 77.221 100.732 -97.401 - 93.325 0.000 108.834 -80.935 - # 27 total E -8.43986E+01 rmsd from N 0.000 %NC 0.00 0 - 94.008 120.465 140.440 10.548 - 92.140 154.481 144.746 -31.568 - 91.793 99.781 140.938-107.331 - 90.872 50.122 130.488 -83.416 - 88.866 48.803 134.382-140.749 - 88.351 56.724 91.246-144.787 - 89.050 59.420 147.303 -33.884 - 88.754 33.340 130.252-140.624 - 91.562-118.445 102.855 -76.968 - 94.991 128.097 0.000 0.000 - 95.150 40.680 0.000 0.000 - 91.077 66.852 108.677-104.516 - 89.307 108.432 121.349-126.386 - 92.648 -56.896 109.597-136.709 - 96.207 89.211 0.000 0.000 - 134.051 -84.495 114.798 -61.579 - 126.013-162.289 113.343-112.700 - 120.349-129.432 125.601-129.550 - 93.803 55.021 92.068 -89.026 - 93.364 0.000 113.405 -79.896 - # 28 total E -8.61493E+01 rmsd from N 0.000 %NC 0.00 0 - 93.706 90.844 151.163 -29.594 - 92.962 125.351 144.622 -34.058 - 125.737-100.584 93.117-100.918 - 91.668 60.926 144.607-104.366 - 89.960 43.183 113.931 -60.615 - 90.272 50.931 116.827 -42.034 - 90.372 51.681 149.148-132.850 - 90.748 44.333 87.718 -65.817 - 92.549-113.475 107.817 -81.600 - 94.592 157.723 0.000 0.000 - 128.206 -41.079 0.000 0.000 - 113.070-172.235 125.341-134.265 - 94.765 176.103 134.691 162.591 - 127.323 -49.846 125.052-156.499 - 96.332 87.500 0.000 0.000 - 126.598 -86.962 99.814-107.899 - 119.926-110.740 114.954-119.975 - 117.079-148.067 114.688-117.168 - 93.707 61.946 94.501 -97.451 - 93.408 0.000 128.609-134.008 - # 29 total E -8.57427E+01 rmsd from N 0.000 %NC 0.00 0 - 93.935 124.681 144.506 -10.110 - 109.881 171.332 143.261 -29.604 - 118.124 167.671 102.137 -74.412 - 90.735 67.204 129.329-113.339 - 89.890 56.656 123.032-126.095 - 89.776 62.046 117.064 4.121 - 90.391 28.430 148.340-134.407 - 93.140 68.876 132.207-135.024 - 92.874 -39.553 137.010-115.338 - 126.315 -87.254 0.000 0.000 - 142.399 -28.355 0.000 0.000 - 107.439 -23.798 95.345 -88.007 - 91.668 96.596 121.895 152.159 - 91.553 0.621 106.035 -78.005 - 115.036 -17.096 0.000 0.000 - 131.499 -74.202 139.985 -71.357 - 119.462-117.746 108.701-109.607 - 119.795-165.534 125.091-131.017 - 93.439 58.070 103.735 -97.921 - 93.340 0.000 112.883 -79.222 - # 30 total E -8.62317E+01 rmsd from N 0.000 %NC 0.00 0 - 93.880 115.627 146.040 -11.383 - 91.511 81.220 135.017 -26.610 - 91.670 41.766 130.617 111.411 - 90.653 45.837 144.373 -90.546 - 89.913 43.106 118.160-123.590 - 90.655 54.852 124.272 27.014 - 90.392 36.677 148.030-174.179 - 92.013 62.162 128.613-131.629 - 92.467 -56.715 131.868-126.843 - 125.513 -53.187 0.000 0.000 - 121.100 -16.521 0.000 0.000 - 112.435-149.437 90.253 -70.281 - 92.440 99.553 138.876 -50.595 - 94.059 26.162 113.688 -76.537 - 96.412 61.862 0.000 0.000 - 121.755 -83.589 108.576 -53.057 - 115.056-105.666 123.163-132.293 - 118.820-144.186 108.468-107.002 - 93.266 47.931 102.081-114.953 - 93.372 0.000 113.626 -80.224 - # 31 total E -8.37314E+01 rmsd from N 0.000 %NC 0.00 0 - 93.846 108.752 147.798 -11.677 - 91.501 76.992 138.489 -41.269 - 92.748 40.151 176.461-174.611 - 92.270 57.746 139.656 -88.455 - 91.162 34.564 119.154-133.059 - 91.954 60.157 107.972 -80.653 - 90.339 49.288 143.858-173.076 - 91.315 75.931 134.754-129.485 - 91.475 -78.349 104.775 -73.670 - 95.736 168.567 0.000 0.000 - 137.459 -60.004 0.000 0.000 - 131.202 159.640 102.172 -92.917 - 93.714 97.544 114.774 -76.513 - 94.749 -17.350 114.331 -77.384 - 127.949 -31.111 0.000 0.000 - 125.151 -83.731 104.898 -54.993 - 116.557-107.382 116.980-121.984 - 117.514-142.774 110.847-112.668 - 93.549 82.194 106.390-106.906 - 93.289 0.000 112.647 -76.536 - # 32 total E -8.62107E+01 rmsd from N 0.000 %NC 0.00 0 - 93.998 125.263 141.615 -3.521 - 91.458 91.404 135.707 -13.205 - 90.130 50.606 129.866 108.321 - 89.714 42.637 149.129 -94.492 - 89.729 49.829 123.954-132.365 - 90.409 45.971 125.297 18.975 - 90.390 51.686 136.521-127.512 - 90.753 44.010 136.332-134.197 - 92.403-159.045 113.041 -85.097 - 95.141 70.430 0.000 0.000 - 121.029 -72.548 0.000 0.000 - 115.646 144.526 129.784-139.671 - 94.144 74.966 108.783 -76.737 - 138.928-113.050 123.718 -86.121 - 94.676 73.078 0.000 0.000 - 125.796 -70.065 116.014-107.112 - 116.706-107.681 118.830-127.521 - 121.431-145.495 108.273-105.902 - 92.519 57.802 102.778-114.190 - 93.362 0.000 108.440 -83.496 - # 33 total E -8.62294E+01 rmsd from N 0.000 %NC 0.00 0 - 93.951 124.326 143.876 -5.723 - 91.476 89.515 132.076 -19.674 - 91.771 46.747 128.668 84.715 - 89.692 45.361 145.253 -94.798 - 89.726 53.684 119.709-127.543 - 90.179 59.903 116.992 22.694 - 89.896 34.096 147.295-134.438 - 92.897 75.791 130.986-134.761 - 92.868 -49.944 141.605-126.928 - 119.740 -72.082 0.000 0.000 - 120.747 -69.240 0.000 0.000 - 93.276 58.860 135.567-164.830 - 95.241 57.804 112.634 -75.820 - 95.282 -10.137 143.295 -57.500 - 139.692 -21.560 0.000 0.000 - 133.179 -69.416 129.550 -67.587 - 118.887-107.244 117.933-124.203 - 123.308-146.806 106.799-104.258 - 92.839 65.222 97.600-104.090 - 93.342 0.000 109.510 -81.722 - # 34 total E -8.53515E+01 rmsd from N 0.000 %NC 0.00 0 - 119.864-104.474 104.477 -73.602 - 113.912-110.774 142.341 -35.519 - 91.406 61.594 128.343 111.029 - 90.138 43.542 146.977 -95.678 - 90.136 47.469 120.643-113.835 - 90.872 47.143 137.754 26.129 - 90.617 45.104 136.385-141.886 - 91.678 66.723 134.501-133.275 - 91.635 -79.588 132.127-131.354 - 122.149 -89.802 0.000 0.000 - 119.321 -38.396 0.000 0.000 - 92.858 73.126 135.350-161.639 - 92.960 92.184 112.144 -76.367 - 129.123-105.083 118.648 -85.363 - 94.896 77.359 0.000 0.000 - 130.771 -62.545 146.403 -58.342 - 117.580-106.495 108.457-111.913 - 121.627-144.872 115.155-114.924 - 93.117 63.099 102.245-114.124 - 93.341 0.000 111.581 -80.103 - # 35 total E -8.62363E+01 rmsd from N 0.000 %NC 0.00 0 - 93.857 91.617 145.834 -15.505 - 91.835 89.636 136.525 -18.213 - 90.375 50.003 106.996 -76.269 - 90.395 39.273 168.848-137.608 - 90.202 46.285 128.938-112.560 - 91.096 45.836 136.090 84.443 - 90.943 45.446 133.233-111.193 - 91.462 47.504 139.630-142.504 - 93.210-169.678 146.769 -21.043 - 93.984 135.587 0.000 0.000 - 130.730 -37.289 0.000 0.000 - 93.654 84.035 98.879-100.476 - 126.051-107.370 121.072 -77.053 - 128.355 -85.614 121.689 -80.185 - 119.731-173.408 0.000 0.000 - 129.115 -84.386 113.721-125.380 - 119.552-109.125 116.859-122.445 - 118.892-137.968 110.583-110.105 - 93.185 83.247 105.807-114.856 - 93.285 0.000 111.023 -77.438 - # 36 total E -8.82155E+01 rmsd from N 0.000 %NC 0.00 0 - 93.893 121.676 146.288 -9.589 - 91.312 86.598 128.216 -13.784 - 90.560 49.253 95.647 -90.393 - 89.743 44.143 150.273 -96.920 - 89.909 46.458 121.446-127.631 - 90.813 50.178 124.503 48.542 - 90.034 46.027 127.721-154.448 - 90.872 57.152 133.311-135.710 - 92.002 170.640 140.869-122.160 - 95.418 103.463 0.000 0.000 - 125.937 -51.261 0.000 0.000 - 110.438 173.432 132.091-145.769 - 121.561 177.417 119.051 -80.685 - 94.646 30.656 115.909 -76.364 - 96.371 70.306 0.000 0.000 - 123.068 -79.000 146.904 -94.639 - 118.529-111.540 108.932-111.227 - 118.358-143.350 115.929-118.114 - 93.529 74.585 133.452-159.000 - 93.305 0.000 113.149 -77.299 - # 37 total E -8.66981E+01 rmsd from N 0.000 %NC 0.00 0 - 93.762 106.272 150.735 -20.794 - 93.104 126.658 139.362 -30.883 - 124.821 -95.707 93.202 -94.342 - 91.393 55.713 144.424-109.867 - 89.938 42.645 121.311 -83.615 - 90.247 55.016 118.065 -28.598 - 89.921 47.928 154.308-118.267 - 90.904 60.084 83.225 -67.556 - 91.959-109.207 113.052 -80.344 - 95.748 157.073 0.000 0.000 - 130.541 -67.859 0.000 0.000 - 110.833 148.652 129.778-142.457 - 92.930 103.813 138.113-168.915 - 94.585 29.570 114.119 -77.825 - 97.034 66.848 0.000 0.000 - 128.851-105.962 140.669-122.501 - 118.159-109.059 117.121-123.954 - 117.239-148.458 112.145-113.422 - 93.819 51.041 100.676-105.681 - 93.416 0.000 128.399-144.273 - # 38 total E -8.72171E+01 rmsd from N 0.000 %NC 0.00 0 - 94.001 128.321 142.765 1.864 - 91.339 90.290 135.081 -14.242 - 89.891 51.176 104.040 -79.096 - 90.058 41.196 155.301-101.821 - 90.407 41.846 126.083-124.781 - 91.305 49.386 130.567 96.934 - 90.586 69.539 139.256-130.863 - 89.893 92.457 131.044-116.233 - 92.140 -45.284 106.095 -87.565 - 97.079 82.069 0.000 0.000 - 132.766 -59.275 0.000 0.000 - 136.704 162.199 96.428 -80.276 - 126.181 173.873 122.917 -78.649 - 118.816 -74.655 117.382 -79.601 - 95.265 59.563 0.000 0.000 - 125.529 -81.953 148.139 -39.824 - 120.845-166.554 112.058-115.094 - 120.321-162.305 115.985-114.458 - 93.321 98.289 103.719-104.096 - 93.293 0.000 109.473 -77.457 - # 39 total E -8.37159E+01 rmsd from N 0.000 %NC 0.00 0 - 93.889 119.345 146.036 -10.398 - 91.562 82.840 137.222 -27.813 - 91.527 46.293 132.570 113.911 - 91.177 42.403 149.137 -97.664 - 90.322 47.951 119.174-114.579 - 91.132 42.705 157.213 -6.798 - 90.782 61.309 134.812-118.834 - 90.782 35.044 124.075-105.839 - 92.762-120.772 94.759 -82.736 - 93.131 152.612 0.000 0.000 - 93.069 53.275 0.000 0.000 - 89.272 43.271 108.834-118.694 - 91.253 54.797 108.573 -78.240 - 95.358 -49.305 117.554 -76.372 - 137.263 -16.168 0.000 0.000 - 134.009 -83.461 92.437 -63.142 - 117.640-109.296 117.102-123.623 - 121.219-137.618 107.313-103.825 - 92.452 91.292 104.162-112.646 - 93.246 0.000 107.611 -77.647 - # 40 total E -9.03375E+01 rmsd from N 0.000 %NC 0.00 0 - 115.829 -50.889 110.339 -82.046 - 91.789 80.805 132.645 -28.639 - 91.977 42.237 99.992 -82.546 - 91.072 43.930 147.085 -94.071 - 90.179 42.542 117.753-118.615 - 90.776 49.703 163.238 36.050 - 90.607 46.296 133.272-167.349 - 92.044 75.509 136.221-130.407 - 90.252 -65.111 132.343-135.801 - 102.209 -65.611 0.000 0.000 - 97.978 -33.380 0.000 0.000 - 92.855 104.739 140.375-169.682 - 94.441 103.959 113.281 -77.217 - 121.991 -96.530 118.692 -77.573 - 94.678 79.454 0.000 0.000 - 130.376 -69.142 126.610 -88.898 - 118.887-109.939 107.334-110.730 - 118.109-160.511 112.245-114.143 - 93.732 57.949 103.340-113.714 - 93.417 0.000 125.573-142.713 - # 41 total E -8.73809E+01 rmsd from N 0.000 %NC 0.00 0 - 93.898 120.518 145.604 -10.702 - 91.523 88.209 132.106 -16.465 - 90.440 49.166 91.885 -84.250 - 89.886 43.007 148.211 -97.039 - 90.395 44.911 121.351-127.179 - 91.089 47.117 150.137 40.606 - 90.726 43.827 131.356-145.875 - 92.164 70.690 136.126-134.791 - 90.853 -67.216 137.666-114.958 - 111.042 -62.759 0.000 0.000 - 116.300 -60.789 0.000 0.000 - 92.710 66.430 135.045-161.942 - 93.066 96.022 113.387 -76.399 - 93.587 -36.997 111.018 -80.866 - 114.997 -24.401 0.000 0.000 - 125.841 -84.773 79.669 -67.252 - 117.080-111.192 118.051-124.334 - 120.614-107.357 114.539-111.383 - 92.932 79.797 92.291-103.345 - 93.237 0.000 106.924 -78.667 - # 42 total E -8.56434E+01 rmsd from N 0.000 %NC 0.00 0 - 93.705 33.886 108.026 -81.090 - 92.849 163.363 140.949 -19.080 - 91.497 80.745 142.207 95.533 - 90.944 40.553 150.689 -96.526 - 90.007 49.516 127.359 -60.563 - 90.996 51.978 129.011 35.504 - 90.405 40.867 138.949-134.641 - 91.923 61.511 127.710-132.786 - 92.111 -70.951 131.837-132.793 - 118.705 -60.816 0.000 0.000 - 129.077 -44.932 0.000 0.000 - 104.792 -31.169 93.431 -86.838 - 91.624 99.180 122.340 142.828 - 92.361 9.589 107.933 -79.652 - 118.326 -7.429 0.000 0.000 - 129.293 -76.653 96.448 -56.950 - 117.197-105.071 124.519-131.343 - 119.437-111.191 109.365-109.132 - 117.966-118.961 115.747-121.489 - 121.952 0.000 121.546 -81.211 - # 43 total E -8.68702E+01 rmsd from N 0.000 %NC 0.00 0 - 93.879 121.836 147.046 -10.353 - 91.278 90.015 128.837 -9.684 - 90.698 48.248 97.358 -90.005 - 88.335 49.039 142.643 -95.840 - 88.797 57.443 125.954-141.500 - 89.102 49.789 116.187 51.825 - 90.094 45.338 140.471 -89.840 - 91.753 64.526 127.847-137.028 - 93.072-165.064 142.578-141.636 - 138.051 -55.339 0.000 0.000 - 94.017 48.135 0.000 0.000 - 92.086 52.925 96.011 -96.038 - 93.624 -61.935 109.494 -77.090 - 122.818-100.826 118.557 -79.664 - 115.969 170.362 0.000 0.000 - 129.792-104.609 114.996 -49.470 - 115.901-109.286 120.015-127.789 - 120.727-152.100 111.041-109.985 - 93.133 56.108 101.807-105.465 - 93.352 0.000 111.350 -80.973 - # 44 total E -8.75454E+01 rmsd from N 0.000 %NC 0.00 0 - 93.855 113.203 145.230 -14.656 - 91.719 89.291 136.959 -12.075 - 91.524 44.020 176.063 173.500 - 89.289 47.372 133.118 -84.344 - 88.905 51.080 119.269-136.192 - 88.432 52.328 117.008 -46.766 - 89.620 44.101 158.330-171.107 - 92.075 71.509 127.991-135.529 - 91.153 -57.364 145.026-122.566 - 110.095 -70.280 0.000 0.000 - 102.230 -24.296 0.000 0.000 - 93.142 105.315 135.764-161.036 - 93.592 91.040 114.342 -76.431 - 94.875 -95.180 116.268 -72.354 - 95.022 114.494 0.000 0.000 - 131.940 -75.841 154.612 -16.292 - 119.183-106.938 105.009-104.012 - 118.652-138.345 108.752-108.387 - 93.733 77.975 124.405-146.970 - 93.314 0.000 111.814 -78.084 - # 45 total E -8.56921E+01 rmsd from N 0.000 %NC 0.00 0 - 93.899 122.696 146.282 -8.542 - 91.249 88.708 130.281 -6.081 - 90.068 51.218 96.724 -88.866 - 89.315 44.177 149.904-100.292 - 90.081 44.975 126.871-135.649 - 90.721 51.101 128.141 74.614 - 90.710 38.290 134.616-145.044 - 92.730 64.553 130.731-134.350 - 92.475 -43.776 142.915-149.617 - 116.571-156.035 0.000 0.000 - 92.937 46.052 0.000 0.000 - 89.791 48.845 97.780 -97.378 - 89.650 45.372 112.644 -78.727 - 93.545-172.202 116.129 -78.344 - 94.648 120.950 0.000 0.000 - 127.684 -80.342 115.410 -98.733 - 118.148-108.271 116.945-123.906 - 119.431-141.199 111.192-110.730 - 93.226 72.826 103.365-113.231 - 93.312 0.000 112.463 -78.141 - # 46 total E -8.68119E+01 rmsd from N 0.000 %NC 0.00 0 - 93.895 121.881 146.236 -9.380 - 91.319 86.744 128.446 -14.539 - 90.593 48.930 95.963 -90.455 - 89.721 44.179 149.982 -96.628 - 89.893 46.518 121.451-127.483 - 90.782 49.870 123.663 50.046 - 90.057 46.580 127.718-155.094 - 90.879 56.978 133.757-135.688 - 91.970 169.542 141.697-123.394 - 95.459 104.145 0.000 0.000 - 124.969 -51.122 0.000 0.000 - 110.185 172.632 132.141-145.985 - 121.203 177.524 119.579 -79.927 - 94.521 31.766 115.891 -76.354 - 96.431 71.500 0.000 0.000 - 124.278 -80.753 149.849 -96.911 - 118.918-112.454 108.285-110.450 - 118.833-142.310 112.797-114.083 - 116.024-118.315 134.739-147.966 - 121.710 0.000 121.568 -80.707 - # 47 total E -8.78005E+01 rmsd from N 0.000 %NC 0.00 0 - 93.841 119.047 148.369 -13.733 - 91.422 89.552 130.868 -10.770 - 91.600 39.455 90.599 -81.314 - 90.357 54.549 130.669 -82.400 - 88.987 52.039 125.408-139.698 - 88.838 48.503 111.448 -45.234 - 89.817 47.501 165.791-154.072 - 90.242 52.390 133.649-134.689 - 91.666-175.132 137.614-123.670 - 94.795 70.833 0.000 0.000 - 93.418 44.184 0.000 0.000 - 89.703 49.272 96.332 -80.787 - 89.961 77.330 117.398 -79.391 - 92.967 24.137 113.173 -78.331 - 96.696 65.718 0.000 0.000 - 128.244 -89.699 131.208 -87.182 - 117.762-108.211 119.773-127.564 - 118.149-144.770 110.707-111.377 - 93.232 59.387 102.737-103.232 - 93.343 0.000 112.280 -79.911 - # 48 total E -8.76999E+01 rmsd from N 0.000 %NC 0.00 0 - 118.691 -89.252 110.039 -80.098 - 112.145-167.168 153.295 -15.898 - 93.557 68.973 139.713 116.130 - 90.215 47.367 146.790 -96.075 - 89.607 45.910 116.434 -74.996 - 90.622 51.187 157.535 -10.051 - 90.595 41.224 133.572-167.562 - 91.892 72.519 102.280 -97.704 - 90.953 -60.455 130.600-136.470 - 108.952 -69.937 0.000 0.000 - 101.372 -26.246 0.000 0.000 - 93.101 100.133 137.536-164.084 - 93.144 104.357 115.168 -78.645 - 125.856 -88.196 131.443-155.545 - 95.579 77.340 0.000 0.000 - 125.794 -76.601 135.821 -87.823 - 120.286-112.145 112.045-116.974 - 119.373-135.065 109.832-109.922 - 118.304-118.703 119.470-123.466 - 121.891 0.000 121.549 -81.072 - # 49 total E -8.37705E+01 rmsd from N 0.000 %NC 0.00 0 - 93.948 108.646 141.660 -9.876 - 91.745 81.152 141.362 -14.151 - 90.108 48.764 112.200 -70.338 - 89.566 41.580 151.186-109.619 - 90.061 49.449 121.812-123.337 - 91.358 70.868 118.305 50.193 - 90.885 78.079 146.108-142.266 - 95.462-114.135 93.294-102.329 - 128.177 175.700 150.218 1.029 - 133.253 -65.889 0.000 0.000 - 93.655 41.583 0.000 0.000 - 101.038-142.885 86.326 -73.862 - 117.353 175.149 120.765 -79.461 - 120.928-165.967 120.866 -78.566 - 120.087 166.299 0.000 0.000 - 126.214 -87.802 111.806-126.900 - 119.034-110.920 114.275-118.841 - 118.759-141.426 113.069-113.817 - 93.167 72.335 104.763-113.535 - 93.316 0.000 111.998 -78.620 - # 50 total E -8.51112E+01 rmsd from N 0.000 %NC 0.00 0 - 93.895 122.231 146.358 -9.124 - 91.388 87.442 130.074 -15.109 - 90.493 49.615 95.386 -87.516 - 89.942 42.876 149.924 -98.379 - 90.397 44.925 126.839-119.025 - 90.615 51.052 149.724 44.629 - 90.523 40.089 133.301-149.722 - 92.146 92.070 131.445-136.213 - 91.739 -16.117 145.870 -42.216 - 105.068 -73.121 0.000 0.000 - 94.841 -13.262 0.000 0.000 - 95.357 159.317 98.221 -95.891 - 94.361 149.059 109.855 -80.508 - 92.542 43.864 115.944 -77.647 - 95.179 80.118 0.000 0.000 - 110.566 -65.479 122.626 -56.691 - 119.477-108.317 118.553-124.078 - 119.438-135.266 111.909-112.135 - 93.520 56.212 95.096-103.228 - 93.342 0.000 114.558 -78.396 - # 51 total E -8.68763E+01 rmsd from N 0.000 %NC 0.00 0 - 93.695 96.048 153.568 -25.164 - 92.930 136.981 145.358 -25.029 - 125.142 -90.958 90.092-102.489 - 91.354 55.856 148.014-109.756 - 89.856 42.852 111.189 -33.048 - 90.752 46.721 163.523 114.732 - 90.844 58.989 135.785 -56.858 - 91.423 35.866 140.044-125.974 - 93.048-114.936 105.243 -79.449 - 93.347 150.619 0.000 0.000 - 125.372 -22.136 0.000 0.000 - 92.665 77.876 82.827 -86.715 - 92.157 108.584 113.591 -76.917 - 93.520 21.093 114.443 -78.741 - 96.999 77.860 0.000 0.000 - 128.662 -85.729 135.177 -98.295 - 119.257-111.622 113.191-118.212 - 118.803-146.747 113.264-114.511 - 93.738 39.999 94.733 -98.990 - 93.414 0.000 113.706 -81.685 - # 52 total E -8.60856E+01 rmsd from N 0.000 %NC 0.00 0 - 93.807 115.922 149.528 -16.379 - 93.046 112.704 138.357 -34.288 - 133.122-107.606 96.125 -88.655 - 92.891 69.748 132.763-123.010 - 90.881 53.558 119.219 -23.240 - 91.218 71.822 96.779 -64.292 - 91.659 155.883 160.962-115.370 - 92.148 93.835 130.846-125.268 - 91.778 -68.566 104.335 -83.121 - 94.673 165.089 0.000 0.000 - 136.045 -53.208 0.000 0.000 - 113.938 178.555 121.506-128.164 - 93.964 113.365 114.688 -77.273 - 114.788 -94.289 115.966 -80.121 - 96.102 86.948 0.000 0.000 - 132.530 -82.382 88.309 -64.037 - 116.894-107.645 119.114-124.983 - 120.812-117.737 111.018-109.956 - 93.102 76.004 95.420-111.367 - 93.286 0.000 109.635 -78.935 - # 53 total E -8.50248E+01 rmsd from N 0.000 %NC 0.00 0 - 93.889 121.171 146.502 -9.910 - 91.341 86.258 128.368 -14.903 - 90.968 47.555 94.718 -89.383 - 90.140 43.898 148.483 -95.782 - 89.976 45.810 119.571-126.282 - 90.659 52.132 131.779 46.450 - 89.789 44.783 129.348-161.848 - 90.614 57.350 131.421-134.669 - 92.189 177.323 139.615-121.059 - 95.854 150.526 0.000 0.000 - 126.932 -32.374 0.000 0.000 - 93.609 84.720 93.316 -86.094 - 135.847-105.387 119.238 -77.609 - 115.558 -59.094 116.436 -79.091 - 95.049 72.540 0.000 0.000 - 122.290 -94.060 74.264 -72.570 - 122.749-165.213 126.500-133.695 - 97.050-171.632 101.622 -92.512 - 93.793 80.343 130.878-158.022 - 93.314 0.000 113.185 -77.229 - # 54 total E -8.42727E+01 rmsd from N 0.000 %NC 0.00 0 - 93.958 127.909 144.987 0.285 - 91.399 87.448 137.923 -32.702 - 91.891 44.588 118.861 101.591 - 90.333 45.293 147.114 -93.351 - 90.519 42.812 118.287-124.659 - 92.496 97.297 155.458 114.270 - 92.358 -54.566 144.051 -50.745 - 92.948 93.853 126.682-108.734 - 93.025 10.003 89.418 -94.888 - 119.943-150.277 0.000 0.000 - 134.844 -39.162 0.000 0.000 - 105.265 -29.065 95.428 -84.086 - 91.468 98.431 115.059 -76.049 - 92.409 -1.074 108.498 -78.722 - 117.771 -24.447 0.000 0.000 - 125.009 -81.847 96.182-114.118 - 118.820-116.536 112.783-116.424 - 118.322-162.014 120.993-125.345 - 93.210 62.640 103.809-100.625 - 93.335 0.000 111.841 -79.850 - # 55 total E -8.54389E+01 rmsd from N 0.000 %NC 0.00 0 - 93.712 47.568 108.980 -80.546 - 93.133 168.290 139.675 -37.639 - 105.224 172.189 116.526 -75.493 - 91.955 62.570 140.735-106.526 - 90.126 41.953 115.847-111.808 - 91.819 54.026 133.508 34.840 - 90.660 37.077 144.970-123.734 - 92.251 62.618 130.681-134.330 - 91.873 -72.616 130.614-130.888 - 119.325 -66.575 0.000 0.000 - 130.317 -43.136 0.000 0.000 - 105.883 -27.956 92.220 -83.249 - 91.620 97.780 133.033 137.913 - 91.841 5.667 106.546 -79.120 - 119.705 -12.891 0.000 0.000 - 126.351 -76.948 98.419 -58.510 - 116.400-105.254 118.431-122.565 - 118.475-138.207 137.764-147.934 - 93.382 69.209 95.287-104.066 - 93.409 0.000 126.878-130.758 - # 56 total E -8.55081E+01 rmsd from N 0.000 %NC 0.00 0 - 93.892 123.281 145.115 -16.794 - 122.130 178.110 160.550 -9.996 - 93.108 77.065 153.157 107.323 - 91.045 44.341 146.821 -92.360 - 89.591 47.211 129.842 -92.102 - 90.608 54.526 128.659 30.141 - 90.250 36.740 139.907-170.299 - 92.113 59.960 127.482-132.164 - 92.392 -61.107 134.815-112.019 - 123.459 -56.676 0.000 0.000 - 120.933 -17.473 0.000 0.000 - 112.842-142.115 92.609 -81.805 - 128.026-146.235 116.106 -78.250 - 93.981 38.993 115.805 -76.394 - 95.783 61.270 0.000 0.000 - 111.892 -72.235 143.694 -20.841 - 117.965-109.938 110.563-111.798 - 119.322-142.736 113.837-114.620 - 93.157 72.136 107.425-114.639 - 93.308 0.000 112.713 -77.943 - # 57 total E -8.52103E+01 rmsd from N 0.000 %NC 0.00 0 - 93.767 100.497 148.835 -25.323 - 93.188 118.016 142.956 -27.899 - 129.529-102.903 89.815 -96.449 - 91.689 62.568 142.915-109.076 - 90.607 41.486 113.087 -91.018 - 90.659 55.519 141.316 42.779 - 90.127 40.364 140.092-145.567 - 91.659 69.992 131.411-137.674 - 91.800 -40.664 141.374-129.711 - 115.543-156.067 0.000 0.000 - 92.661 47.365 0.000 0.000 - 89.703 49.264 97.785 -97.569 - 89.449 45.569 110.050 -74.224 - 94.225-176.726 112.952 -77.495 - 94.128 116.733 0.000 0.000 - 130.286 -78.457 111.369-100.459 - 118.520-107.707 115.900-122.531 - 120.085-136.848 111.313-110.682 - 118.833-118.460 117.626-121.772 - 121.885 0.000 121.446 -81.117 - # 58 total E -8.42973E+01 rmsd from N 0.000 %NC 0.00 0 - 93.724 89.608 150.350 -28.966 - 92.998 126.165 143.961 -30.711 - 126.054-100.539 93.705-101.437 - 91.662 60.241 145.812-107.294 - 90.039 42.549 113.055 -61.448 - 90.457 50.720 116.465 -41.041 - 90.404 51.616 150.728-130.790 - 90.776 44.551 87.368 -66.078 - 92.489-113.841 107.729 -81.559 - 94.566 156.963 0.000 0.000 - 127.009 -41.008 0.000 0.000 - 111.628-172.625 125.242-134.914 - 94.545 173.262 134.672 168.945 - 126.628 -48.897 125.154-156.548 - 96.387 93.318 0.000 0.000 - 127.767 -87.110 105.697-112.289 - 120.651-110.243 117.272-122.942 - 118.032-136.920 111.654-112.526 - 120.940-104.188 111.232-111.744 - 120.244 0.000 118.431 -79.662 - # 59 total E -8.82703E+01 rmsd from N 0.000 %NC 0.00 0 - 93.706 45.329 109.227 -81.103 - 92.967 173.029 144.820 -19.942 - 92.023 78.528 149.887 108.663 - 89.859 49.155 144.871 -96.738 - 89.334 45.183 115.345 -69.292 - 90.553 52.024 154.846 -13.609 - 90.507 41.641 135.072-166.602 - 91.745 72.778 102.467 -97.533 - 90.892 -59.344 131.008-136.815 - 109.237 -70.240 0.000 0.000 - 101.546 -26.236 0.000 0.000 - 93.001 99.907 138.905-166.144 - 93.081 104.484 115.082 -78.607 - 124.976 -86.531 131.748-156.701 - 95.669 76.273 0.000 0.000 - 125.586 -79.712 136.899 -89.942 - 119.820-110.997 116.167-121.915 - 119.578-134.491 109.393-109.103 - 118.361-118.711 118.900-123.179 - 121.892 0.000 121.547 -81.076 - # 60 total E -8.72372E+01 rmsd from N 0.000 %NC 0.00 0 - 93.885 122.078 146.969 -9.101 - 91.278 84.684 124.449 -19.065 - 91.071 47.239 95.442 -89.469 - 90.376 43.063 150.580 -96.104 - 90.309 45.417 117.200-125.264 - 91.033 50.372 126.611 59.468 - 90.137 50.676 131.875-147.814 - 90.430 43.763 135.253-134.536 - 92.154 165.539 141.275-129.529 - 96.280 102.531 0.000 0.000 - 137.665 -74.019 0.000 0.000 - 123.667 -71.274 107.672-103.897 - 89.976 82.099 123.519 156.160 - 92.244 17.687 111.490 -78.672 - 114.360 -27.439 0.000 0.000 - 127.893 -82.511 151.005 -30.423 - 119.434-116.969 107.452-107.916 - 109.996-170.488 129.841-144.404 - 93.329 51.283 112.901-107.551 - 93.347 0.000 114.040 -78.713 - # 61 total E -8.60141E+01 rmsd from N 0.000 %NC 0.00 0 - 93.892 121.658 146.334 -9.549 - 91.335 86.256 128.704 -14.810 - 90.571 49.258 95.201 -89.727 - 89.583 43.703 150.694 -96.902 - 89.793 47.672 121.417-126.726 - 90.790 51.297 121.438 50.469 - 90.256 44.395 127.952-154.100 - 91.616 61.496 131.216-136.033 - 93.074 168.504 145.289-126.512 - 94.896 111.737 0.000 0.000 - 115.048 -24.757 0.000 0.000 - 101.995 177.331 135.175-156.138 - 94.754 123.448 139.105 -37.805 - 94.293 22.141 115.116 -77.550 - 96.065 63.226 0.000 0.000 - 119.943 -61.524 151.411 -80.690 - 116.851-104.910 108.756-111.039 - 118.595-139.972 112.907-114.121 - 93.610 76.467 129.483-153.191 - 93.301 0.000 112.567 -77.454 - # 62 total E -8.45738E+01 rmsd from N 0.000 %NC 0.00 0 - 93.794 55.410 146.976 -25.939 - 92.057 101.665 132.038 -25.938 - 90.851 51.133 93.173 -83.218 - 89.454 42.291 148.512-103.578 - 89.470 51.108 122.392-131.214 - 90.276 45.863 123.705 22.442 - 90.690 51.582 137.770-106.711 - 91.342 39.149 134.643-135.492 - 93.426-174.205 109.942 -85.671 - 120.236 162.314 0.000 0.000 - 100.119 -21.542 0.000 0.000 - 98.632 179.698 133.345-154.642 - 133.463-175.753 164.813 -72.263 - 119.058 -85.263 119.542 -79.028 - 124.863-177.164 0.000 0.000 - 128.382 -81.426 122.839-123.416 - 117.435-108.512 120.225-128.783 - 120.455-143.427 108.012-105.782 - 93.015 73.389 106.853-117.243 - 93.317 0.000 111.744 -78.803 - # 63 total E -8.56771E+01 rmsd from N 0.000 %NC 0.00 0 - 93.930 122.904 144.639 -7.747 - 91.553 88.567 135.027 -18.675 - 90.452 47.726 126.468 115.801 - 90.136 44.527 147.412 -94.268 - 89.683 46.188 121.635-128.355 - 89.744 52.127 156.128 20.180 - 89.796 53.569 140.011-155.092 - 90.657 77.788 131.867-131.953 - 91.868 -87.894 139.316-125.650 - 140.301 -64.338 0.000 0.000 - 92.842 50.510 0.000 0.000 - 89.455 49.221 98.403 -99.894 - 89.106 64.941 106.345 -75.244 - 92.603 31.103 116.276 -77.288 - 96.026 78.305 0.000 0.000 - 134.629 -75.364 138.607 -96.608 - 119.929-103.016 118.311-125.083 - 118.240-138.511 111.496-111.560 - 93.306 73.579 103.744-117.839 - 93.306 0.000 112.953 -77.487 - # 64 total E -8.52672E+01 rmsd from N 0.000 %NC 0.00 0 - 93.716 6.998 101.259 -81.300 - 92.682 174.362 139.566 -26.553 - 91.902 68.191 121.360 120.425 - 90.882 38.225 155.096 -96.423 - 90.621 49.590 115.591 -30.041 - 90.523 48.884 156.368 85.384 - 90.677 44.738 135.544-128.630 - 92.699 66.066 132.157-137.358 - 91.830 -71.789 143.754-103.052 - 108.947 -48.980 0.000 0.000 - 116.337 -66.106 0.000 0.000 - 92.709 71.966 132.184-158.739 - 92.698 125.350 113.657 -76.825 - 92.627 -61.870 120.443-146.896 - 105.223 -18.707 0.000 0.000 - 129.368 -81.890 91.435 -64.297 - 116.382-108.603 116.072-123.083 - 119.962-148.318 109.947-108.520 - 93.455 83.399 102.597-106.391 - 93.303 0.000 111.079 -78.112 - # 65 total E -8.49421E+01 rmsd from N 0.000 %NC 0.00 0 - 93.712 98.533 151.536 -27.723 - 93.147 122.437 138.587 -33.804 - 128.427-100.814 95.347-100.163 - 92.625 53.147 160.700-137.682 - 90.699 42.690 107.637 -38.831 - 91.670 51.507 144.678 80.686 - 91.090 37.977 138.122-114.069 - 92.345 56.363 133.996-143.522 - 94.039-172.782 145.184 -23.483 - 93.707 126.381 0.000 0.000 - 121.608 -20.858 0.000 0.000 - 93.461 93.961 131.625-154.706 - 123.454-103.336 114.390 -76.579 - 131.051 -86.058 120.178 -80.545 - 95.834 171.689 0.000 0.000 - 130.106 -83.981 118.027-113.036 - 119.633-107.761 115.013-120.720 - 117.410-138.734 112.386-113.449 - 93.786 74.822 125.936-148.416 - 93.307 0.000 112.450 -77.841 - # 66 total E -8.44673E+01 rmsd from N 0.000 %NC 0.00 0 - 93.791 107.396 150.588 -14.208 - 92.035 137.206 116.154 -45.358 - 91.287 56.951 91.267 -93.359 - 89.927 44.170 145.994 -97.760 - 89.610 61.858 125.682-150.003 - 89.786 88.587 137.900 37.233 - 89.881 95.995 150.033-108.529 - 90.914 11.959 105.979-126.285 - 93.231-108.551 115.175 -81.237 - 95.226 145.319 0.000 0.000 - 94.367 40.946 0.000 0.000 - 93.072 129.517 100.275 -99.253 - 92.231 113.701 130.952 160.929 - 95.790 -91.752 116.395-135.890 - 95.478 166.638 0.000 0.000 - 130.578 -96.257 97.046 -88.201 - 118.668-108.204 121.714-130.103 - 120.288-140.567 109.439-108.269 - 93.537 66.842 103.516-106.128 - 93.313 0.000 113.963 -77.440 - # 67 total E -9.10421E+01 rmsd from N 0.000 %NC 0.00 0 - 93.851 100.773 147.054 -11.935 - 91.386 71.418 138.804 -41.349 - 91.307 45.403 121.983 121.772 - 90.239 46.384 143.105 -91.967 - 89.698 43.861 118.088-123.292 - 90.482 48.279 159.695 8.064 - 90.761 44.348 136.919-173.491 - 91.940 72.699 135.872-130.505 - 90.573 -63.222 131.012-134.224 - 107.480 -68.543 0.000 0.000 - 100.341 -27.913 0.000 0.000 - 92.978 100.244 136.653-162.074 - 92.929 101.505 114.612 -78.147 - 124.300 -91.143 123.320-139.244 - 94.540 80.781 0.000 0.000 - 129.019 -69.421 132.553-118.943 - 120.080-121.382 107.254-112.217 - 121.406-168.662 112.536-112.468 - 93.311 52.291 100.042-101.097 - 93.353 0.000 110.882 -81.396 - # 68 total E -8.36728E+01 rmsd from N 0.000 %NC 0.00 0 - 93.734 31.532 103.778 -77.635 - 93.282 170.667 145.514 -30.857 - 93.235 93.012 136.534-103.674 - 104.748 -49.053 133.746 -83.467 - 91.084 81.962 119.388-110.200 - 91.781 42.646 134.586 87.689 - 90.996 48.915 149.835-149.673 - 92.679 60.237 125.280-141.516 - 92.416 -75.218 143.877-124.548 - 111.280 -45.693 0.000 0.000 - 116.029 -73.152 0.000 0.000 - 93.186 64.163 128.211-150.599 - 93.646 127.111 114.786 -77.401 - 115.845 -84.474 128.166-155.018 - 96.051 66.279 0.000 0.000 - 127.096-102.099 110.457 -50.922 - 117.626-105.945 119.031-124.776 - 115.109-137.889 142.811-158.848 - 94.227 40.430 96.488 -99.267 - 93.414 0.000 118.085 -78.861 - # 69 total E -8.37775E+01 rmsd from N 0.000 %NC 0.00 0 - 93.867 77.153 144.984 -16.517 - 92.995 167.417 139.113 -39.190 - 110.820 170.347 120.345 -71.387 - 91.335 69.653 131.187-107.898 - 90.401 42.541 100.434 -99.783 - 91.535 49.438 145.826 35.802 - 91.201 42.792 143.553-140.071 - 92.664 75.876 136.400-134.913 - 92.475-110.610 139.014-123.240 - 94.552 122.265 0.000 0.000 - 134.085 -49.203 0.000 0.000 - 119.283 176.472 117.517-120.446 - 92.891 86.848 134.149-116.240 - 94.591 24.492 113.920 -77.311 - 97.316 73.395 0.000 0.000 - 126.110 -85.439 129.264 -97.795 - 119.086-116.321 101.138 -98.587 - 112.086-166.653 119.380-126.896 - 93.824 68.302 132.129-158.659 - 93.314 0.000 114.091 -77.336 - # 70 total E -8.55390E+01 rmsd from N 0.000 %NC 0.00 0 - 93.676 103.354 154.476 -26.137 - 93.195 127.034 138.927 -27.918 - 130.191-101.175 94.864 -97.742 - 92.972 54.804 157.665-141.304 - 90.467 43.260 110.084 -35.374 - 90.831 53.739 150.336 93.284 - 90.674 53.358 139.789-118.360 - 92.249 84.775 133.503-133.431 - 93.874-107.902 148.326-156.507 - 140.026 -71.205 0.000 0.000 - 94.271 38.628 0.000 0.000 - 92.446 51.307 97.790 -96.686 - 93.332 -56.175 113.273 -74.485 - 129.767-167.001 119.872 -78.450 - 114.190 161.614 0.000 0.000 - 129.379 -72.098 118.141-118.448 - 115.768-104.747 115.035-122.899 - 119.970-148.147 111.263-110.583 - 93.332 47.388 103.185-117.031 - 93.369 0.000 113.929 -79.825 - # 71 total E -8.48249E+01 rmsd from N 0.000 %NC 0.00 0 - 93.666 68.456 153.195 -31.574 - 92.882 111.656 142.003 -42.587 - 129.904 -98.055 90.207-102.346 - 91.851 55.710 145.274-101.319 - 90.425 39.084 109.313 -71.375 - 90.972 58.464 150.696 39.525 - 90.311 40.846 148.661-151.339 - 91.977 68.953 130.984-137.593 - 91.721 -87.920 139.513-125.377 - 94.802 160.489 0.000 0.000 - 140.980 -35.854 0.000 0.000 - 90.061 58.997 96.725-101.118 - 90.199 34.941 110.272 -80.606 - 94.547-115.554 108.776 -75.217 - 95.827 157.963 0.000 0.000 - 130.679 -81.135 131.854 -53.350 - 118.248-107.604 117.630-123.461 - 119.399-138.173 110.704-111.018 - 93.307 72.299 100.091-105.172 - 93.311 0.000 112.468 -78.115 - # 72 total E -8.55969E+01 rmsd from N 0.000 %NC 0.00 0 - 93.803 106.885 148.885 -17.779 - 93.113 129.207 138.841 -26.120 - 124.465 -96.264 94.095 -93.926 - 91.591 55.019 143.974-108.623 - 89.938 42.473 119.108 -87.544 - 90.722 64.988 116.964 -27.451 - 90.172 38.692 160.543-120.269 - 91.864 76.581 80.593 -74.382 - 92.783 -73.767 142.143-114.124 - 96.139 177.657 0.000 0.000 - 141.979 -29.861 0.000 0.000 - 121.257 163.828 116.307-119.695 - 93.441 97.035 132.024-121.350 - 93.585 -88.771 112.461 -77.390 - 94.681 158.627 0.000 0.000 - 125.372 -79.695 144.583 -50.208 - 116.687-144.974 114.358-120.733 - 126.532-171.378 110.813-106.366 - 93.467 71.396 92.529 -98.251 - 93.410 0.000 127.056-130.369 - # 73 total E -8.37512E+01 rmsd from N 0.000 %NC 0.00 0 - 93.952 106.605 142.229 -3.405 - 92.450 152.829 138.803 -22.733 - 90.340 90.007 99.279 -97.145 - 88.903 43.180 146.160-114.312 - 89.444 48.228 95.646 -58.402 - 90.621 48.130 129.328 64.153 - 90.211 48.453 137.639-113.578 - 90.615 49.890 132.718-136.310 - 92.114 175.864 141.494-123.946 - 94.918 136.606 0.000 0.000 - 126.357 -32.418 0.000 0.000 - 93.900 83.920 97.756 -98.883 - 125.956-106.401 121.254 -76.017 - 128.702 -92.583 122.154 -80.334 - 128.074-174.732 0.000 0.000 - 126.178 -87.845 104.281-112.328 - 118.307-109.274 124.942-134.244 - 121.575-141.686 109.222-106.912 - 117.114-119.241 116.609-119.588 - 121.867 0.000 121.722 -80.947 - # 74 total E -8.57684E+01 rmsd from N 0.000 %NC 0.00 0 - 93.838 95.141 147.282 -14.482 - 91.367 69.886 139.739 -53.418 - 90.438 60.465 123.374 106.589 - 89.337 47.926 149.520 -91.414 - 90.527 43.910 109.673 -61.065 - 90.532 51.688 152.964 57.384 - 90.412 42.939 138.354-141.791 - 92.108 67.388 134.445-136.575 - 91.010 -67.294 140.602-118.306 - 110.043 -62.941 0.000 0.000 - 112.421 -67.870 0.000 0.000 - 92.233 67.297 131.843-157.724 - 93.206 110.856 113.393 -76.464 - 92.507 -55.667 116.755 -81.769 - 111.007 -25.500 0.000 0.000 - 129.192 -84.467 93.735 -62.720 - 116.096-110.303 116.284-123.575 - 120.389-148.593 109.638-108.518 - 93.611 67.969 103.815-108.283 - 93.315 0.000 114.080 -77.353 - # 75 total E -8.66237E+01 rmsd from N 0.000 %NC 0.00 0 - 93.868 118.596 146.863 -12.525 - 91.287 86.682 131.303 -3.453 - 89.782 50.964 92.818 -90.893 - 89.093 44.359 149.197 -98.825 - 89.388 47.894 126.272-137.448 - 90.390 48.903 130.462 18.888 - 90.117 42.880 133.001-145.221 - 92.306 83.700 132.171-135.430 - 91.411 -91.990 141.495-130.549 - 96.180 53.168 0.000 0.000 - 147.702 -86.501 0.000 0.000 - 119.150 -81.708 109.080-108.713 - 91.016 90.585 133.852-143.210 - 94.187 33.768 107.663 -78.261 - 96.124 72.160 0.000 0.000 - 125.820 -84.019 103.963 -58.479 - 117.150-108.304 115.265-120.010 - 119.085-139.190 113.829-114.188 - 93.548 76.691 131.609-155.083 - 93.300 0.000 112.554 -77.411 - # 76 total E -8.70516E+01 rmsd from N 0.000 %NC 0.00 0 - 93.899 122.586 146.187 -8.327 - 91.533 85.209 138.050 -28.021 - 91.271 47.736 127.570 112.688 - 90.410 41.875 149.675 -95.761 - 90.054 49.617 120.186 -29.848 - 90.283 44.236 164.547 39.702 - 90.270 55.644 135.327-127.560 - 90.704 45.004 136.020-123.570 - 92.051-119.461 110.010 -80.104 - 95.306 154.693 0.000 0.000 - 130.718 -60.943 0.000 0.000 - 101.732 168.601 106.547 -96.565 - 93.803 131.689 129.993-160.396 - 115.829 -73.738 115.551 -80.759 - 95.409 74.619 0.000 0.000 - 129.576 -83.467 92.809 -63.747 - 117.638-107.023 121.097-128.585 - 120.414-136.176 110.718-108.307 - 92.774 88.737 100.629-112.411 - 93.258 0.000 108.367 -77.927 - # 77 total E -8.49045E+01 rmsd from N 0.000 %NC 0.00 0 - 93.733 -7.086 96.264 -84.073 - 92.345 169.721 141.466 -25.073 - 91.926 68.568 118.152 124.115 - 91.283 35.549 153.289 -99.080 - 90.501 51.658 110.862 -28.208 - 90.882 41.275 156.001 105.941 - 90.653 65.663 132.382-101.488 - 90.827 28.523 138.570-121.376 - 92.671-118.372 101.556 -75.142 - 92.912 145.987 0.000 0.000 - 93.453 47.810 0.000 0.000 - 89.252 50.389 103.673-115.957 - 90.082 44.404 111.367 -77.614 - 94.351-117.249 110.077 -76.888 - 94.443 152.917 0.000 0.000 - 130.241 -74.860 138.160 -65.195 - 116.194-105.112 127.009-138.481 - 120.862-119.157 107.810-105.555 - 93.069 78.136 99.054-106.605 - 93.271 0.000 110.361 -77.679 - # 78 total E -8.55860E+01 rmsd from N 0.000 %NC 0.00 0 - 93.920 120.365 144.535 -9.128 - 91.545 83.356 132.339 -21.629 - 92.285 40.258 135.668 113.231 - 91.428 46.583 145.596 -93.910 - 90.478 48.201 117.641-123.966 - 92.354 67.830 133.209 -13.302 - 91.334 118.948 144.555-160.119 - 95.989 -64.104 129.573-139.151 - 128.699 -60.773 107.707 -78.391 - 95.749 69.040 0.000 0.000 - 92.767 42.580 0.000 0.000 - 89.449 51.514 92.253 -68.474 - 89.725 70.387 117.985 -75.231 - 93.688 20.513 112.900 -78.723 - 96.827 74.497 0.000 0.000 - 137.330 -65.405 160.273-127.363 - 116.948-104.074 111.271-119.698 - 119.594-139.861 116.165-116.247 - 93.597 76.573 129.745-153.238 - 93.300 0.000 112.509 -77.507 - # 79 total E -8.96055E+01 rmsd from N 0.000 %NC 0.00 0 - 93.982 125.734 142.700 -3.072 - 91.457 89.683 135.875 -17.850 - 91.199 46.635 126.464 96.977 - 89.930 44.917 146.889 -90.327 - 89.976 47.172 121.549-129.261 - 90.161 50.310 157.901 41.014 - 90.383 41.726 145.747-133.742 - 92.107 68.966 131.452-135.199 - 91.137 -60.725 136.877-118.272 - 113.734 -63.728 0.000 0.000 - 101.064 -21.838 0.000 0.000 - 93.296 95.146 95.974 -84.512 - 122.477 144.333 118.343 -80.670 - 95.125 -75.612 113.909 -77.063 - 93.531 63.584 0.000 0.000 - 128.159 -77.976 86.930 -64.275 - 117.412-104.577 124.989-133.256 - 122.475-141.438 109.014-107.966 - 93.065 60.002 92.396 -99.340 - 93.348 0.000 111.131 -80.942 - # 80 total E -8.56106E+01 rmsd from N 0.000 %NC 0.00 0 - 93.946 123.159 143.776 -6.906 - 91.517 87.153 134.945 -16.514 - 91.255 42.372 131.612 116.233 - 90.603 47.029 146.416 -92.102 - 89.879 46.847 121.907-129.335 - 90.542 48.668 133.695 -9.668 - 90.142 45.343 138.906-142.407 - 90.650 66.244 134.414-133.590 - 91.659-175.166 131.377-123.881 - 94.872 71.318 0.000 0.000 - 92.808 41.013 0.000 0.000 - 89.890 65.106 106.110 -98.476 - 89.395 125.028 133.350-104.762 - 91.500 -65.188 112.188-143.980 - 95.259 77.662 0.000 0.000 - 137.978 -89.388 89.443 -64.069 - 118.254-106.645 118.313-125.675 - 120.670-138.927 107.225-103.315 - 92.915 85.077 101.518-112.576 - 93.287 0.000 109.520 -78.466 - # 81 total E -8.72116E+01 rmsd from N 0.000 %NC 0.00 0 - 93.986 126.027 142.596 -2.558 - 91.454 89.544 135.738 -18.000 - 91.160 46.914 126.101 98.377 - 90.054 44.708 147.820 -91.056 - 90.078 46.652 121.596-128.520 - 90.282 50.511 158.744 39.976 - 90.408 41.776 145.227-129.856 - 92.070 68.780 131.676-135.349 - 91.124 -60.944 136.498-118.479 - 113.747 -63.514 0.000 0.000 - 101.076 -21.981 0.000 0.000 - 93.262 94.969 95.818 -83.435 - 122.118 144.220 118.158 -80.580 - 94.864 -75.326 113.543 -77.412 - 93.408 64.553 0.000 0.000 - 129.294 -76.934 88.601 -63.991 - 118.027-105.257 125.045-132.907 - 120.417-115.943 109.285-109.230 - 118.484-118.554 114.375-118.523 - 121.873 0.000 121.495 -81.066 - # 82 total E -8.63785E+01 rmsd from N 0.000 %NC 0.00 0 - 93.969 125.801 143.529 -3.243 - 91.460 89.967 135.288 -17.491 - 91.086 45.306 124.616 105.992 - 89.398 45.029 143.365 -87.900 - 89.696 48.678 121.268-131.419 - 89.592 54.133 133.561 57.041 - 90.159 36.648 140.611-172.632 - 92.482 58.279 127.331-131.281 - 92.531 -52.857 142.178-119.414 - 123.347 -65.164 0.000 0.000 - 123.421 -21.607 0.000 0.000 - 94.729 86.128 83.927 -83.086 - 135.652 -91.985 151.042 -0.716 - 123.781 -58.329 118.747 -80.001 - 95.504 72.064 0.000 0.000 - 117.568 -79.587 84.769 -64.445 - 116.456-112.316 112.500-114.624 - 120.565-145.401 134.123-143.900 - 92.693 74.697 101.138-100.896 - 93.322 0.000 110.121 -80.015 - # 83 total E -8.50909E+01 rmsd from N 0.000 %NC 0.00 0 - 93.888 121.407 146.511 -9.659 - 91.320 85.109 128.980 -15.483 - 90.928 44.302 93.501 -87.665 - 90.218 45.916 148.747 -97.597 - 90.001 42.460 122.228-127.391 - 91.351 51.691 134.235 21.887 - 90.589 36.326 132.235-158.679 - 92.484 67.018 131.418-134.183 - 92.456 -76.750 135.034-114.515 - 122.427 -2.382 0.000 0.000 - 135.758 -32.701 0.000 0.000 - 127.931-176.279 106.508-102.083 - 126.160 168.016 117.991 -81.329 - 119.747 -64.889 118.788 -78.252 - 94.757 71.672 0.000 0.000 - 120.985 -67.404 118.260-131.234 - 117.920-109.437 115.584-121.561 - 118.641-136.859 143.231-157.996 - 93.793 54.110 92.484 -93.436 - 93.347 0.000 114.972 -78.338 - # 84 total E -9.09006E+01 rmsd from N 0.000 %NC 0.00 0 - 93.914 124.016 145.895 -6.834 - 91.533 88.174 134.537 -24.718 - 91.776 44.265 123.685 104.099 - 90.119 45.809 141.339 -86.981 - 90.044 45.523 119.334-126.568 - 90.227 47.766 156.387 48.963 - 90.677 47.080 141.958 175.760 - 92.139 74.909 137.099-131.503 - 90.505 -66.679 136.265-130.355 - 103.078 -66.412 0.000 0.000 - 99.036 -33.117 0.000 0.000 - 92.643 102.122 133.645-159.189 - 94.186 126.709 113.390 -78.509 - 107.224 -87.543 120.683-155.640 - 94.934 59.926 0.000 0.000 - 128.258 -82.602 102.272 -59.633 - 116.489-106.780 125.233-134.345 - 122.138-149.685 110.050-108.685 - 92.887 56.951 99.878-105.312 - 93.346 0.000 112.023 -80.255 - # 85 total E -8.59238E+01 rmsd from N 0.000 %NC 0.00 0 - 93.944 108.769 140.336 -16.530 - 92.999 104.756 141.601 -36.337 - 129.110-112.754 96.388 -93.402 - 92.960 66.159 141.995-107.635 - 91.201 34.651 112.625 -91.661 - 92.226 55.383 131.957 41.387 - 90.992 36.906 133.187-160.575 - 92.206 62.729 136.856-133.583 - 91.389 -74.972 131.617-133.286 - 117.646 -64.074 0.000 0.000 - 125.529 -48.909 0.000 0.000 - 103.361 -27.388 96.161 -92.426 - 92.182 101.181 128.526 138.192 - 92.276 9.889 108.333 -77.942 - 119.394 -14.564 0.000 0.000 - 126.053 -82.534 85.835 -62.146 - 116.078-108.183 117.827-122.872 - 117.023-142.491 141.458-155.825 - 93.242 54.249 94.775 -95.460 - 93.359 0.000 111.797 -80.981 - # 86 total E -8.92478E+01 rmsd from N 0.000 %NC 0.00 0 - 93.867 120.776 147.399 -11.441 - 91.446 88.621 130.134 -16.332 - 90.554 47.980 93.538 -85.786 - 89.270 46.027 143.807 -95.423 - 89.255 50.171 122.453-131.939 - 89.325 49.465 154.914 37.303 - 90.703 63.885 130.792 -54.193 - 91.632 102.849 133.590-133.256 - 91.165 -24.542 145.745-130.361 - 101.275 -71.579 0.000 0.000 - 98.682 -21.782 0.000 0.000 - 93.334 102.681 134.275-157.495 - 94.173 113.219 119.595 -75.258 - 120.902-100.098 118.069 -84.237 - 95.353 64.009 0.000 0.000 - 126.789 -87.504 99.219 -62.449 - 116.862-110.625 119.580-126.938 - 121.349-147.136 111.613-109.778 - 92.289 77.983 104.702-112.238 - 93.326 0.000 108.159 -81.506 - # 87 total E -8.34793E+01 rmsd from N 0.000 %NC 0.00 0 - 94.022 128.330 141.543 2.030 - 91.302 91.264 132.471 -13.605 - 90.543 49.696 127.241 102.810 - 89.812 44.168 148.879 -97.124 - 89.604 49.952 121.680-132.252 - 89.818 68.772 130.870 31.748 - 89.358 59.170 142.223-174.092 - 89.893 37.659 78.661 -86.795 - 93.440 -98.199 137.730-114.503 - 122.695 -68.677 0.000 0.000 - 105.694 -32.787 0.000 0.000 - 92.105 -47.911 93.634 -81.365 - 92.444 92.927 114.497 -75.320 - 132.726-105.182 119.271 -82.784 - 97.088 168.271 0.000 0.000 - 129.464 -81.939 122.891 -63.039 - 119.459-108.217 115.413-120.281 - 119.011-142.149 115.251-116.733 - 93.586 49.287 98.764-101.318 - 93.364 0.000 114.376 -79.419 - # 88 total E -8.80504E+01 rmsd from N 0.000 %NC 0.00 0 - 93.905 122.961 146.040 -7.973 - 91.271 86.112 128.127 -14.459 - 90.838 47.729 96.785 -90.203 - 89.753 44.556 151.208 -97.054 - 90.122 46.985 123.243-125.633 - 91.237 48.287 120.576 63.229 - 90.816 43.402 128.057-145.428 - 91.854 56.058 134.141-134.553 - 93.176-177.056 141.738-133.864 - 133.936 -69.778 0.000 0.000 - 111.414 -6.370 0.000 0.000 - 91.016 72.469 100.952 -97.126 - 90.200 -0.320 107.600 -76.380 - 107.942-135.295 103.641 -75.604 - 94.724 122.635 0.000 0.000 - 120.236 -71.273 140.725 -43.524 - 114.733-132.017 90.828 -82.932 - 106.792-172.656 130.361-146.446 - 93.303 50.053 108.697-108.201 - 93.346 0.000 113.343 -79.371 - # 89 total E -8.78989E+01 rmsd from N 0.000 %NC 0.00 0 - 93.851 106.272 146.668 -11.934 - 91.529 80.012 138.697 -27.518 - 90.826 44.583 134.310 115.328 - 89.973 49.287 140.603 -88.113 - 89.596 42.873 120.888-129.608 - 90.056 49.663 138.681 -14.460 - 90.291 43.422 140.998 179.413 - 91.454 72.150 136.199-132.501 - 90.659 -55.542 134.280-129.189 - 115.673 -70.218 0.000 0.000 - 107.946 -20.841 0.000 0.000 - 108.984-144.747 95.027 -77.941 - 126.217-139.950 122.025 -79.279 - 93.762 36.100 115.717 -76.258 - 95.170 64.070 0.000 0.000 - 111.363 -63.300 154.692 -9.958 - 118.356-112.224 109.614-114.025 - 121.748-141.770 113.806-112.853 - 116.202-118.271 133.108-144.714 - 121.709 0.000 121.560 -80.712 - # 90 total E -8.70078E+01 rmsd from N 0.000 %NC 0.00 0 - 93.883 121.298 146.750 -10.069 - 91.354 85.953 128.597 -17.018 - 91.029 45.502 93.859 -87.743 - 90.389 44.786 147.544 -96.760 - 90.148 43.254 119.931-126.069 - 91.180 48.625 141.457 27.515 - 90.318 44.393 130.678-159.186 - 91.849 75.511 136.490-133.878 - 90.925 -97.103 138.690-123.685 - 95.869 56.145 0.000 0.000 - 150.847 -70.371 0.000 0.000 - 128.312 172.298 108.805-103.788 - 124.880 165.721 122.112 -80.349 - 118.474 -63.002 117.783 -79.689 - 94.529 73.865 0.000 0.000 - 121.758 -71.929 69.438 -75.052 - 117.176-109.106 116.805-122.689 - 118.755-136.468 143.539-158.114 - 93.559 62.869 91.793 -94.369 - 93.332 0.000 112.892 -79.007 - # 91 total E -8.58632E+01 rmsd from N 0.000 %NC 0.00 0 - 93.698 85.927 151.179 -31.160 - 93.028 125.252 142.799 -39.619 - 128.750 -97.135 95.895-105.205 - 92.021 52.139 149.659-103.249 - 90.482 39.264 104.513 -45.075 - 91.946 52.187 162.122 112.787 - 90.671 44.459 145.908-106.275 - 92.178 77.103 137.862-136.986 - 91.607 -68.398 144.314-133.971 - 118.919 -22.016 0.000 0.000 - 117.315 -45.905 0.000 0.000 - 96.094 -41.673 91.511 -87.741 - 90.965 111.918 138.915 -34.319 - 95.197 24.034 112.600 -80.418 - 96.497 68.980 0.000 0.000 - 126.857 -83.720 116.743-126.651 - 116.125-107.300 122.571-133.558 - 112.987-135.226 100.488 -84.239 - 93.492 83.208 127.956-149.956 - 93.280 0.000 110.974 -77.249 - # 92 total E -8.74439E+01 rmsd from N 0.000 %NC 0.00 0 - 93.931 109.234 143.828 -0.531 - 92.493 157.230 137.042 -24.708 - 90.568 93.124 116.262-105.925 - 89.420 48.740 145.447-114.543 - 89.003 47.398 108.446 -70.144 - 90.014 54.045 123.733 43.602 - 89.627 53.078 134.087-151.356 - 89.750 48.101 129.623-134.111 - 91.580 166.562 140.278-118.185 - 95.435 97.677 0.000 0.000 - 132.938 -52.809 0.000 0.000 - 93.982 79.887 132.263-155.194 - 94.577 -57.815 118.710 -76.151 - 135.543-158.887 125.813 -80.209 - 115.614 171.103 0.000 0.000 - 132.014 -79.661 106.448-110.867 - 117.007-105.382 121.696-130.530 - 121.283-146.218 109.584-107.629 - 93.377 49.876 99.287-106.517 - 93.362 0.000 113.350 -80.026 - # 93 total E -8.40798E+01 rmsd from N 0.000 %NC 0.00 0 - 93.725 -2.430 105.196 -81.914 - 108.344 178.809 161.713 -21.697 - 93.809 85.139 176.393 179.418 - 91.647 46.527 137.750 -83.643 - 90.436 46.674 121.805-108.615 - 90.478 48.270 98.511-134.765 - 90.372 42.304 141.640-170.178 - 91.888 50.235 134.485-126.914 - 92.687 -77.743 116.327 -78.718 - 130.138 -3.251 0.000 0.000 - 138.764 -28.711 0.000 0.000 - 112.520-147.612 89.323 -66.650 - 92.303 89.933 142.334 -17.033 - 93.071 24.147 114.884 -75.301 - 96.301 65.400 0.000 0.000 - 120.392 -86.729 125.893 -87.388 - 117.510-110.602 117.150-124.450 - 118.872-144.392 111.505-110.387 - 93.617 52.985 128.352-150.410 - 93.361 0.000 112.094 -80.821 - # 94 total E -8.47179E+01 rmsd from N 0.000 %NC 0.00 0 - 93.890 121.509 144.490 -18.295 - 116.553-177.965 144.181 -17.904 - 108.131-164.943 104.217 -94.216 - 90.905 61.191 140.727-101.708 - 89.394 41.543 121.102-120.288 - 90.665 59.286 127.289 25.663 - 90.200 34.963 145.079-162.186 - 92.241 64.272 126.930-136.068 - 92.134 -56.119 136.877-117.297 - 119.677 -56.280 0.000 0.000 - 123.974 -37.222 0.000 0.000 - 110.745 160.628 90.739 -78.163 - 93.037 80.765 136.180 135.172 - 120.560 -42.883 116.165 -75.865 - 94.662 86.995 0.000 0.000 - 115.484 -65.662 122.880-120.974 - 118.331-109.283 116.977-124.003 - 119.915-143.194 107.368-105.374 - 93.100 73.547 103.537-119.099 - 93.312 0.000 112.087 -78.365 - # 95 total E -8.52294E+01 rmsd from N 0.000 %NC 0.00 0 - 93.884 124.564 147.801 -6.928 - 91.300 91.872 130.879 -1.742 - 90.583 45.233 95.551 -79.642 - 90.526 57.248 142.180-116.115 - 90.203 60.782 129.200 8.488 - 90.148 73.603 95.456 -64.144 - 91.415 161.581 154.031-106.159 - 92.295 96.482 126.997-128.655 - 91.612 -69.179 104.077 -83.220 - 94.712 164.956 0.000 0.000 - 136.642 -55.820 0.000 0.000 - 118.895-175.674 118.677-121.570 - 93.767 108.913 114.752 -77.298 - 122.263-100.118 114.323 -80.586 - 95.751 92.461 0.000 0.000 - 128.160 -80.036 89.892 -63.469 - 116.723-108.422 120.345-127.868 - 120.767-120.140 109.080-105.283 - 92.688 77.751 98.298-114.417 - 93.282 0.000 109.232 -78.948 - # 96 total E -8.93164E+01 rmsd from N 0.000 %NC 0.00 0 - 93.712 97.000 108.556 -80.349 - 113.444 178.271 152.910 -16.909 - 92.827 74.404 142.660 112.251 - 89.878 48.480 146.991 -97.835 - 89.335 45.125 111.820 -68.347 - 90.423 51.941 157.269 -7.009 - 90.526 42.301 135.800-162.753 - 91.658 72.492 103.381 -98.843 - 90.794 -60.005 130.531-136.438 - 108.716 -69.573 0.000 0.000 - 101.033 -26.796 0.000 0.000 - 92.990 100.198 138.666-165.246 - 93.335 107.388 115.435 -78.730 - 124.001 -87.506 130.890-159.357 - 95.583 73.720 0.000 0.000 - 124.991 -80.160 132.077 -85.010 - 118.760-110.863 116.459-122.613 - 120.408-147.158 110.876-110.718 - 93.050 85.724 101.135-108.093 - 93.428 0.000 119.474-131.425 - # 97 total E -8.72107E+01 rmsd from N 0.000 %NC 0.00 0 - 93.710 9.902 103.488 -81.511 - 92.973 161.860 144.433 -14.048 - 91.413 78.279 142.948 87.045 - 90.848 41.793 149.424 -95.189 - 90.409 48.555 120.318 -59.343 - 91.438 48.894 132.564 44.154 - 90.718 41.127 138.746-122.503 - 91.964 57.055 130.946-132.838 - 92.672 -82.915 133.058-127.112 - 123.618 -63.531 0.000 0.000 - 129.748 -40.594 0.000 0.000 - 106.505 -28.470 92.792 -82.331 - 91.577 98.633 134.592 148.552 - 92.236 4.893 104.603 -79.671 - 120.777 -14.180 0.000 0.000 - 120.063 -78.661 93.759 -56.115 - 116.233-107.426 121.226-125.570 - 119.333-132.752 124.302-127.780 - 92.805 58.936 97.256-102.383 - 93.349 0.000 111.949 -80.411 - # 98 total E -8.61917E+01 rmsd from N 0.000 %NC 0.00 0 - 93.782 101.065 149.559 -19.438 - 92.065 134.836 120.335 -43.488 - 90.638 56.876 83.602 -94.611 - 90.650 42.665 143.475 -93.620 - 89.675 48.924 127.156-149.837 - 89.865 50.840 131.766 -8.994 - 90.314 44.407 149.360-125.741 - 91.724 71.708 129.794-136.255 - 91.662 -95.570 133.456-121.861 - 94.372 129.873 0.000 0.000 - 134.075 -22.417 0.000 0.000 - 111.037-145.774 92.268 -84.043 - 93.793 113.337 115.608 -76.596 - 113.560-108.131 112.663 -80.569 - 124.367 176.849 0.000 0.000 - 127.446 -79.895 130.484-114.547 - 116.466-107.519 122.923-133.259 - 121.874-146.344 107.996-105.152 - 92.881 71.990 107.000-113.694 - 93.318 0.000 111.074 -79.601 - # 99 total E -8.69653E+01 rmsd from N 0.000 %NC 0.00 0 - 93.904 117.551 144.318 -9.729 - 91.464 81.855 130.757 -18.735 - 92.240 38.318 140.017 112.411 - 91.468 49.424 143.832 -87.807 - 90.264 41.440 119.180-126.024 - 91.145 51.539 124.469 -23.089 - 91.100 34.777 149.807-146.107 - 93.078 60.113 132.826-132.225 - 92.895 -61.881 134.636-126.374 - 121.875-127.720 0.000 0.000 - 119.088 -28.882 0.000 0.000 - 92.485 67.613 134.207-160.104 - 92.875 63.099 111.630 -76.162 - 97.081-102.623 110.961 -78.461 - 94.361 133.477 0.000 0.000 - 132.045 -65.696 176.452-170.133 - 115.541-102.803 111.025-119.428 - 119.036-140.113 112.949-112.330 - 93.757 76.840 126.822-150.578 - 93.328 0.000 111.932 -77.861 - # 100 total E -8.84151E+01 rmsd from N 0.000 %NC 0.00 0 - 93.922 124.508 145.616 -5.901 - 91.276 86.155 128.396 -17.751 - 91.269 45.127 98.510 -88.806 - 90.226 44.750 150.731 -96.493 - 90.410 44.646 121.929-123.675 - 91.935 50.518 124.508 71.969 - 91.438 38.915 130.800-147.335 - 93.734 79.176 132.431-131.912 - 121.842-102.282 155.912-165.997 - 136.181 -64.176 0.000 0.000 - 140.525 -30.026 0.000 0.000 - 104.774 -32.089 94.391 -85.230 - 90.970 99.892 113.955 -75.894 - 91.979 -16.949 106.674 -79.081 - 117.696 -30.753 0.000 0.000 - 127.428 -70.785 138.989 -58.809 - 118.902-121.686 102.518-102.476 - 115.093-170.177 126.526-136.136 - 93.437 65.604 106.089-105.678 - 93.414 0.000 126.192-136.617 - # 101 total E -8.82070E+01 rmsd from N 0.000 %NC 0.00 0 - 93.980 125.945 142.922 -2.802 - 91.442 91.279 134.988 -16.128 - 90.891 45.583 124.288 98.825 - 89.618 47.837 143.150 -90.310 - 89.549 44.832 122.696-135.317 - 89.773 55.277 126.410 24.431 - 89.940 35.242 144.470 176.132 - 92.158 62.699 127.554-132.386 - 92.075 -52.920 135.099-113.753 - 121.467 -68.268 0.000 0.000 - 119.721 -22.159 0.000 0.000 - 110.757 162.269 83.731 -78.812 - 93.879 82.040 124.260 74.048 - 116.607 -40.319 119.942 -76.732 - 94.678 85.754 0.000 0.000 - 115.728 -72.467 114.669-115.612 - 119.589-110.493 118.240-124.722 - 119.143-140.127 109.008-108.394 - 93.222 73.452 99.484-104.723 - 93.311 0.000 112.143 -78.304 - # 102 total E -8.64347E+01 rmsd from N 0.000 %NC 0.00 0 - 93.864 108.793 146.639 -10.547 - 91.469 75.051 139.558 -34.014 - 91.396 45.808 123.461 121.551 - 90.931 42.658 148.747 -98.077 - 89.951 46.915 118.218-114.792 - 90.629 59.356 176.417 18.024 - 89.994 43.399 143.522-144.945 - 91.619 79.931 102.654-110.901 - 92.193 -61.752 143.580-127.171 - 120.062 -22.806 0.000 0.000 - 117.515 -47.395 0.000 0.000 - 95.981 -40.247 93.427 -91.626 - 91.062 112.414 138.017 -48.284 - 95.190 25.685 113.576 -80.081 - 96.359 64.674 0.000 0.000 - 122.523 -83.143 111.174-126.881 - 115.690-106.874 123.557-134.674 - 113.110-138.939 100.031 -90.546 - 117.154-113.763 126.949-135.373 - 94.641 0.000 116.391 -77.619 - # 103 total E -8.90087E+01 rmsd from N 0.000 %NC 0.00 0 - 93.921 122.241 144.701 -8.287 - 91.227 87.065 127.833 -10.059 - 90.584 48.947 132.489 103.403 - 89.603 47.041 149.024 -92.128 - 89.798 44.744 122.818-133.071 - 90.427 51.673 128.855 37.064 - 90.305 39.378 143.337-144.041 - 91.853 60.743 131.780-134.008 - 91.452 -70.562 132.030-126.589 - 118.134 -64.638 0.000 0.000 - 126.656 -48.406 0.000 0.000 - 103.153 -27.153 94.054 -90.746 - 92.104 101.048 129.905 148.244 - 92.369 12.758 109.021 -78.015 - 119.749 -15.137 0.000 0.000 - 122.155 -89.749 86.172 -63.947 - 117.944-113.168 114.495-117.781 - 115.298-142.492 136.916-151.975 - 93.423 51.250 100.424 -92.053 - 93.360 0.000 113.131 -80.212 - # 104 total E -9.25429E+01 rmsd from N 0.000 %NC 0.00 0 - 93.868 122.259 147.957 -9.469 - 91.469 84.908 129.430 -27.498 - 91.434 44.740 94.034 -85.011 - 90.719 43.936 146.648 -93.647 - 90.159 42.706 119.402-119.119 - 90.717 49.343 161.170 38.454 - 90.569 47.062 132.123-168.167 - 91.972 75.985 136.666-130.329 - 90.071 -65.210 133.269-134.812 - 101.909 -65.766 0.000 0.000 - 97.789 -33.575 0.000 0.000 - 92.787 104.702 140.532-169.918 - 94.360 105.051 113.362 -77.188 - 120.538 -95.347 118.685 -77.337 - 94.738 80.524 0.000 0.000 - 131.474 -71.209 127.282 -90.872 - 115.613-109.737 85.196 -96.046 - 117.449-155.705 113.820-116.793 - 93.687 59.051 104.767-112.380 - 93.418 0.000 125.420-142.743 - # 105 total E -8.63354E+01 rmsd from N 0.000 %NC 0.00 0 - 93.739 112.177 153.137 -18.182 - 93.040 125.265 134.677 -36.340 - 126.417 -97.091 94.957 -91.019 - 91.689 55.352 144.226-116.164 - 89.939 43.115 123.228 -89.250 - 90.323 65.991 118.225 -28.633 - 90.075 43.858 152.940-142.401 - 91.176 75.447 84.010 -77.397 - 91.805 -79.214 138.032-120.490 - 95.303 169.762 0.000 0.000 - 146.631 -45.986 0.000 0.000 - 133.480 170.323 103.814 -95.585 - 93.925 155.080 114.819 -76.873 - 120.874 -69.990 118.957 -81.970 - 95.188 61.702 0.000 0.000 - 119.991 -96.696 78.882 -74.160 - 118.500-117.154 115.350-120.311 - 115.352-114.076 140.267-156.981 - 93.916 49.328 87.725 -77.700 - 93.421 0.000 116.892 -79.975 - # 106 total E -8.39662E+01 rmsd from N 0.000 %NC 0.00 0 - 93.852 92.379 146.166 -15.461 - 91.478 65.298 119.307 -75.493 - 90.920 59.676 122.608-101.442 - 90.231 44.468 147.558-101.692 - 89.759 45.986 97.215 -65.516 - 90.411 53.598 131.669-111.158 - 89.415 52.051 128.456-161.581 - 90.589 42.940 128.633-129.034 - 92.396-108.860 107.689 -78.599 - 94.958 136.970 0.000 0.000 - 117.812 -23.680 0.000 0.000 - 119.359-140.912 107.597-103.972 - 93.756 156.208 115.369 -76.983 - 127.437-166.793 120.903 -82.514 - 94.535 64.703 0.000 0.000 - 114.970 -82.132 143.990 60.754 - 118.183-166.412 115.801-122.031 - 131.634-158.804 111.449-100.800 - 92.640 102.561 105.064-105.711 - 93.253 0.000 107.318 -76.925 - # 107 total E -8.92852E+01 rmsd from N 0.000 %NC 0.00 0 - 93.862 108.516 146.516 -12.125 - 91.537 80.500 138.153 -27.022 - 90.911 44.177 135.205 115.309 - 90.117 49.358 141.526 -88.248 - 89.632 42.952 120.856-129.399 - 90.075 50.018 137.198 -16.191 - 90.291 43.216 142.122-173.243 - 91.478 71.963 135.891-132.839 - 90.764 -55.324 134.374-130.266 - 116.123 -69.999 0.000 0.000 - 109.304 -22.154 0.000 0.000 - 109.376-145.185 95.457 -77.118 - 126.477-141.257 122.195 -79.519 - 93.910 35.689 115.752 -76.279 - 95.186 62.922 0.000 0.000 - 109.830 -60.752 153.706 -12.429 - 118.096-110.436 110.247-114.764 - 121.336-141.428 116.272-115.999 - 93.462 76.200 132.249-156.320 - 93.303 0.000 112.586 -77.525 - # 108 total E -8.63694E+01 rmsd from N 0.000 %NC 0.00 0 - 93.986 125.151 142.239 -3.931 - 91.487 90.064 135.377 -16.007 - 91.057 47.025 131.111 99.498 - 90.349 42.545 148.566 -98.134 - 90.401 51.354 122.224-126.375 - 91.841 51.874 134.873 18.581 - 91.621 117.450 138.185-123.253 - 87.764 -38.677 111.247-121.196 - 90.583 -55.795 141.672-123.693 - 95.273 3.521 0.000 0.000 - 114.873 -46.054 0.000 0.000 - 92.409 -37.250 95.640 -95.940 - 92.973 96.337 113.961 -76.433 - 132.234-114.954 117.107 -84.620 - 95.470 162.902 0.000 0.000 - 127.799 -76.148 120.463 -61.769 - 117.805-105.021 119.334-126.391 - 118.212-136.588 109.348-110.220 - 117.981-118.676 122.318-128.804 - 121.886 0.000 121.577 -81.038 - # 109 total E -8.50805E+01 rmsd from N 0.000 %NC 0.00 0 - 93.927 120.200 143.965 -9.764 - 91.482 86.663 131.821 -16.265 - 91.517 43.509 139.385 103.447 - 91.002 46.711 144.313 -92.858 - 90.341 43.450 120.319-127.605 - 91.087 59.520 130.066 -11.666 - 90.751 57.961 154.665-147.254 - 90.969 99.300 84.535 -80.526 - 91.667 -23.755 140.430-141.328 - 99.990 -69.538 0.000 0.000 - 96.057 -24.631 0.000 0.000 - 92.572 104.507 109.495-111.480 - 94.319 129.076 123.338-124.266 - 127.748 -84.016 122.200-153.574 - 116.278 39.180 0.000 0.000 - 103.779 -74.257 107.854 -89.378 - 116.904-114.985 119.988-127.716 - 117.483-141.047 142.995-157.628 - 92.537 80.450 101.034-100.738 - 93.306 0.000 110.005 -79.189 - # 110 total E -8.48303E+01 rmsd from N 0.000 %NC 0.00 0 - 93.705 16.895 104.860 -81.553 - 92.973 168.398 150.675 -25.201 - 92.607 80.788 174.698 169.318 - 91.816 52.596 138.101 -85.512 - 90.604 44.536 126.435 -80.183 - 90.476 45.945 99.044-129.512 - 90.650 51.981 130.703-167.435 - 91.305 39.323 142.906-126.737 - 92.077-109.769 108.063 -77.414 - 94.165 147.572 0.000 0.000 - 114.692 -21.408 0.000 0.000 - 103.062 164.640 97.551-102.569 - 94.450 83.999 114.377 -77.568 - 93.132 -81.847 114.535 -77.058 - 93.393 145.402 0.000 0.000 - 129.772 -72.783 146.991-104.298 - 115.958-101.805 120.253-130.179 - 120.289-138.683 106.904-103.717 - 93.904 48.287 103.257-119.973 - 93.351 0.000 117.627 -76.828 - # 111 total E -8.56247E+01 rmsd from N 0.000 %NC 0.00 0 - 93.772 93.826 148.307 -25.367 - 92.933 127.402 141.504 -42.275 - 129.916 -97.119 96.940-102.441 - 92.324 50.175 150.786-105.523 - 90.724 42.468 106.697 -65.667 - 91.817 46.324 153.033 102.655 - 90.676 68.811 137.576-106.698 - 91.122 26.519 135.834-116.903 - 92.676-115.778 102.241 -75.402 - 92.571 148.361 0.000 0.000 - 93.522 47.905 0.000 0.000 - 88.982 50.388 107.353-119.415 - 89.764 41.495 111.437 -77.462 - 94.600-120.563 109.969 -76.602 - 94.561 152.822 0.000 0.000 - 130.383 -82.544 137.041 -72.119 - 117.441-107.828 119.574-127.310 - 120.614-146.741 111.389-111.001 - 92.849 84.961 97.733-102.305 - 93.423 0.000 120.381-130.281 - # 112 total E -8.66879E+01 rmsd from N 0.000 %NC 0.00 0 - 93.939 107.306 143.198 -1.988 - 92.518 157.735 137.793 -24.439 - 90.460 89.222 116.815-109.565 - 89.508 45.466 145.185-109.619 - 89.343 45.942 97.959 -60.895 - 90.238 57.821 127.382 61.673 - 90.237 39.800 140.404-152.502 - 92.178 64.345 129.399-133.345 - 92.672 -39.967 143.018-155.894 - 114.277-158.979 0.000 0.000 - 94.064 45.873 0.000 0.000 - 90.402 48.164 97.858 -96.939 - 90.489 43.040 112.326 -81.411 - 94.452 179.024 113.728 -76.546 - 94.746 122.728 0.000 0.000 - 128.640 -94.794 111.437 -96.032 - 119.029-108.365 122.799-130.941 - 119.856-143.444 110.851-110.029 - 93.396 56.536 99.493-102.715 - 93.344 0.000 113.269 -79.349 - # 113 total E -8.51203E+01 rmsd from N 0.000 %NC 0.00 0 - 93.988 125.093 142.078 -3.921 - 91.383 90.873 133.391 -11.247 - 90.362 51.996 129.908 104.388 - 89.685 40.729 148.665 -91.137 - 89.926 52.773 121.302-130.807 - 89.867 56.799 136.449 47.096 - 89.465 52.721 139.990-142.702 - 89.635 52.231 124.399-137.515 - 91.690-170.919 140.451-121.611 - 95.859 117.682 0.000 0.000 - 107.595 -16.288 0.000 0.000 - 92.791 106.852 95.699 -56.272 - 92.339 107.647 117.230 -76.419 - 92.337 -38.582 114.448 -77.754 - 96.295 89.099 0.000 0.000 - 134.870 -80.344 122.884-117.234 - 120.933-105.701 116.903-122.031 - 119.616-144.690 108.778-107.924 - 92.579 82.227 107.017-122.081 - 93.317 0.000 109.071 -79.947 - # 114 total E -8.40939E+01 rmsd from N 0.000 %NC 0.00 0 - 93.857 117.328 147.120 -13.751 - 91.357 88.176 130.107 -3.359 - 90.185 52.794 93.020 -91.743 - 88.943 45.150 145.523 -95.920 - 88.900 54.996 123.919-139.895 - 89.184 61.490 125.521 36.626 - 89.163 46.862 132.183 -66.887 - 90.570 58.927 133.225-136.583 - 91.882 176.727 142.691-132.051 - 141.592 -46.705 0.000 0.000 - 92.568 51.161 0.000 0.000 - 91.021 53.416 95.610 -96.362 - 92.491 -68.440 108.607 -76.420 - 123.064 -70.272 116.094 -78.658 - 117.870 -33.664 0.000 0.000 - 108.080-105.585 126.554 37.253 - 115.532-114.692 94.579 -84.761 - 113.404-166.332 124.574-133.927 - 93.447 69.888 139.974-167.874 - 93.311 0.000 114.249 -77.043 - # 115 total E -8.49170E+01 rmsd from N 0.000 %NC 0.00 0 - 93.711 27.198 105.910 -80.498 - 92.964 170.204 152.440 -23.300 - 92.359 79.010 175.613-177.540 - 91.803 51.263 139.286 -86.024 - 90.500 43.615 125.640 -79.797 - 90.680 50.667 100.208-128.555 - 90.082 47.156 140.507-161.544 - 90.764 70.436 137.241-131.913 - 91.977-158.238 138.105-124.714 - 95.043 74.815 0.000 0.000 - 92.674 42.711 0.000 0.000 - 90.229 74.791 101.642-100.103 - 90.933 147.483 125.391-142.397 - 93.353 -61.399 114.702 -78.459 - 95.217 60.470 0.000 0.000 - 124.707-102.278 123.062 -42.776 - 118.069-109.369 112.363-114.470 - 116.661-138.075 115.914-119.138 - 93.247 94.717 130.906-154.949 - 93.212 0.000 106.725 -76.591 - # 116 total E -8.95271E+01 rmsd from N 0.000 %NC 0.00 0 - 93.999 125.577 141.728 -3.040 - 91.444 90.359 137.312 -13.757 - 90.214 48.346 127.784 113.218 - 89.380 43.582 149.646 -92.999 - 89.735 48.472 123.743-132.955 - 89.839 49.333 155.974 34.951 - 90.379 43.091 137.467-137.268 - 92.365 72.852 131.775-135.788 - 91.149 -65.988 138.161-117.806 - 108.043 -56.522 0.000 0.000 - 115.317 -52.664 0.000 0.000 - 93.187 83.225 139.009-166.206 - 92.696 112.405 112.639 -76.768 - 93.749 -72.035 134.804-160.094 - 96.904 82.799 0.000 0.000 - 131.750 -88.511 136.934 -39.912 - 120.439-108.756 118.678-122.547 - 120.213-139.963 113.201-113.642 - 93.296 68.677 99.153-103.732 - 93.320 0.000 112.444 -78.654 - # 117 total E -9.14048E+01 rmsd from N 0.000 %NC 0.00 0 - 93.863 103.676 146.554 -11.014 - 91.405 72.158 139.082 -38.499 - 91.182 46.208 122.960 120.890 - 90.144 45.178 146.912 -94.508 - 89.923 46.666 117.442-122.476 - 91.018 45.676 156.348 14.811 - 90.953 46.055 135.285-139.496 - 92.206 74.468 137.004-129.642 - 90.319 -68.674 129.317-137.116 - 106.187 -70.513 0.000 0.000 - 99.211 -24.370 0.000 0.000 - 93.643 104.005 133.626-156.024 - 93.827 90.389 116.712 -75.960 - 125.108 -93.776 119.410 -77.698 - 94.953 86.670 0.000 0.000 - 132.835 -70.055 138.084-112.499 - 119.469-111.935 107.682-112.989 - 121.007-149.264 112.933-112.572 - 93.012 86.829 103.407-110.075 - 93.432 0.000 118.757-132.497 - # 118 total E -8.53196E+01 rmsd from N 0.000 %NC 0.00 0 - 118.441 -80.488 109.243 -78.001 - 116.630-105.688 144.790 -36.176 - 91.146 56.989 129.298 102.576 - 89.888 44.013 141.543 -92.725 - 89.761 47.261 122.717-103.447 - 90.012 53.653 128.783 30.013 - 90.062 35.726 139.695 175.787 - 92.293 61.404 128.300-130.993 - 92.144 -57.397 134.982-112.382 - 121.419 -65.841 0.000 0.000 - 119.429 -21.614 0.000 0.000 - 111.263 163.571 82.956 -77.558 - 93.952 82.406 124.799 71.496 - 116.761 -39.669 120.365 -76.486 - 94.727 85.314 0.000 0.000 - 115.458 -73.312 114.147-116.536 - 119.580-110.907 118.254-124.778 - 119.044-139.940 108.719-107.994 - 93.216 73.582 99.141-105.393 - 93.323 0.000 112.084 -78.382 - # 119 total E -8.85579E+01 rmsd from N 0.000 %NC 0.00 0 - 115.830 -50.712 110.294 -81.901 - 91.776 80.585 131.050 -28.868 - 91.845 43.069 98.113 -81.716 - 91.059 43.729 148.195 -95.921 - 90.116 42.869 117.454-118.644 - 90.808 50.174 163.777 28.450 - 90.620 46.303 132.061-163.111 - 92.007 74.854 135.232-130.505 - 90.408 -64.668 131.096-136.847 - 102.769 -65.729 0.000 0.000 - 98.517 -32.923 0.000 0.000 - 92.825 104.282 139.839-168.804 - 94.488 102.978 113.080 -77.249 - 123.186 -95.598 119.261 -77.380 - 94.697 80.124 0.000 0.000 - 129.943 -69.706 128.755 -91.980 - 119.018-108.612 109.768-113.961 - 118.889-138.749 110.719-111.582 - 117.323-118.171 126.214-134.457 - 121.787 0.000 121.468 -80.915 - # 120 total E -8.35052E+01 rmsd from N 0.000 %NC 0.00 0 - 93.861 122.334 148.377 -9.380 - 91.365 83.495 125.954 -18.445 - 90.924 47.159 92.426 -87.592 - 90.883 41.918 151.799-102.728 - 90.135 45.639 120.426-117.695 - 90.776 50.877 126.746 97.181 - 90.116 61.582 138.365-131.120 - 90.760 32.523 135.186-132.456 - 93.345-113.225 144.029-124.393 - 94.315 132.111 0.000 0.000 - 107.138 5.181 0.000 0.000 - 99.463-176.190 93.107 -94.104 - 122.256 179.948 144.221-156.159 - 121.834 -60.421 115.646 -82.174 - 113.791 -12.079 0.000 0.000 - 112.771 -80.875 109.407 -54.431 - 117.618-110.383 115.553-119.348 - 117.837-135.781 117.330-121.389 - 93.325 89.969 130.674-153.520 - 93.246 0.000 108.759 -76.920 - # 121 total E -8.45512E+01 rmsd from N 0.000 %NC 0.00 0 - 93.757 -9.903 101.149 -82.671 - 116.403 174.142 152.159 -13.585 - 92.405 66.585 133.596 119.424 - 90.669 42.371 152.454 -98.017 - 90.269 49.894 103.746 -43.446 - 90.854 40.172 149.013 96.804 - 91.029 64.729 131.680-113.622 - 91.228 31.770 134.782-109.808 - 93.143-119.764 106.886 -80.433 - 93.909 145.438 0.000 0.000 - 128.337 -38.169 0.000 0.000 - 98.903 168.939 96.376 -94.570 - 93.476 126.884 130.992 173.437 - 113.483 -69.169 115.367 -80.540 - 95.459 82.501 0.000 0.000 - 132.427 -82.883 100.547 -62.443 - 119.508-105.002 119.529-124.642 - 119.202-141.494 110.249-110.247 - 93.275 75.355 101.940-113.974 - 93.315 0.000 111.057 -79.112 - # 122 total E -8.81043E+01 rmsd from N 0.000 %NC 0.00 0 - 118.986 -91.150 108.811 -78.042 - 112.584-169.313 152.400 -16.691 - 93.048 70.652 133.679 113.207 - 89.865 41.794 151.441 -93.682 - 90.160 48.812 99.893 -65.236 - 90.591 49.313 156.137 43.191 - 90.513 44.099 135.048-138.302 - 92.269 69.136 131.878-135.540 - 91.459 -71.639 137.923-112.910 - 109.614 -50.620 0.000 0.000 - 120.318 -58.929 0.000 0.000 - 93.410 76.404 139.485-167.024 - 93.208 111.422 113.322 -76.566 - 94.296 -74.225 135.823-160.234 - 97.045 86.136 0.000 0.000 - 131.141 -83.757 139.333 -53.147 - 120.881-112.444 108.840-110.212 - 119.097-140.964 117.255-120.340 - 93.375 66.655 101.255-100.961 - 93.321 0.000 112.968 -78.428 - # 123 total E -8.52616E+01 rmsd from N 0.000 %NC 0.00 0 - 93.718 22.806 104.068 -79.755 - 92.889 173.369 144.180 -27.919 - 91.797 84.973 144.414-103.818 - 90.910 47.251 142.493-116.235 - 90.338 46.049 124.194 -84.121 - 89.758 54.673 101.841-131.920 - 89.881 52.640 141.251-140.923 - 90.896 75.925 131.770-134.273 - 92.214-103.423 138.189-114.585 - 137.204 -76.025 0.000 0.000 - 94.365 37.461 0.000 0.000 - 92.328 53.425 97.995 -96.865 - 92.967 -49.704 114.246 -76.210 - 130.724-173.937 116.312 -78.053 - 114.055 156.044 0.000 0.000 - 127.544 -80.086 122.675-123.153 - 114.615-104.024 125.967-137.414 - 120.560-143.591 108.611-105.983 - 93.227 63.200 101.953-112.828 - 93.332 0.000 112.725 -79.082 - # 124 total E -8.83929E+01 rmsd from N 0.000 %NC 0.00 0 - 93.867 107.540 146.481 -10.582 - 91.420 75.063 141.970 -36.180 - 90.984 45.579 124.648 122.876 - 90.633 47.439 148.098 -98.381 - 89.956 42.817 121.569-120.472 - 91.010 61.705 167.187-112.654 - 89.928 38.288 145.931-148.219 - 91.947 78.576 100.018-107.032 - 92.565 -59.753 142.808-120.411 - 121.682 -23.211 0.000 0.000 - 119.004 -47.501 0.000 0.000 - 96.625 -39.996 94.253 -92.123 - 91.112 112.006 140.817 -38.301 - 94.864 24.528 113.060 -80.086 - 96.173 66.173 0.000 0.000 - 122.625 -81.420 112.604-129.096 - 116.545-108.788 123.231-133.952 - 114.162-134.632 100.673 -83.285 - 93.489 82.159 128.825-150.745 - 93.281 0.000 111.339 -77.126 - # 125 total E -8.37792E+01 rmsd from N 0.000 %NC 0.00 0 - 116.484-171.050 151.050 -20.943 - 118.120-111.344 142.000 -26.169 - 91.234 65.327 119.881 122.493 - 88.849 44.930 149.382 -96.001 - 88.951 52.332 110.644 -87.725 - 88.946 45.822 160.051 102.841 - 90.101 61.607 139.319 -94.364 - 90.339 33.132 136.149-133.668 - 92.721-116.333 107.280 -79.939 - 94.416 150.156 0.000 0.000 - 132.385 -51.453 0.000 0.000 - 92.130 67.452 98.969-100.947 - 91.281 100.074 108.377 -77.446 - 92.518 41.792 115.214 -80.911 - 95.739 83.931 0.000 0.000 - 122.768 -88.964 88.773 -62.355 - 118.048-108.727 121.304-128.413 - 118.691-141.850 109.498-108.892 - 93.126 72.054 105.320-113.852 - 93.316 0.000 111.801 -78.797 - # 126 total E -8.54077E+01 rmsd from N 0.000 %NC 0.00 0 - 93.863 126.903 149.860 -3.665 - 91.447 89.994 131.650 -12.094 - 89.712 52.594 96.661 -81.746 - 89.953 41.600 148.258-106.856 - 90.205 44.045 126.124-127.125 - 91.047 48.547 130.109 92.551 - 90.565 67.879 134.970-136.572 - 90.434 92.398 132.670-121.062 - 92.144 -49.308 104.120 -82.981 - 96.468 91.396 0.000 0.000 - 128.200 -26.707 0.000 0.000 - 113.570-144.952 95.837 -72.212 - 96.868 164.818 116.343 -76.465 - 128.045-161.425 122.051 -79.979 - 94.726 63.878 0.000 0.000 - 118.682 -84.966 142.620 -36.614 - 119.673-165.244 111.521-113.743 - 117.213-149.344 115.815-115.942 - 93.722 85.133 131.196-155.286 - 93.294 0.000 111.880 -77.043 - # 127 total E -8.42402E+01 rmsd from N 0.000 %NC 0.00 0 - 93.757 101.086 149.589 -24.998 - 92.998 121.303 149.120 -38.845 - 131.700 -93.797 91.885 -96.599 - 92.056 57.013 142.504-102.942 - 89.895 41.954 122.561 -64.386 - 90.328 73.414 118.518 -37.288 - 90.525 41.112 143.293 -48.614 - 91.721 73.792 84.667 -82.782 - 92.650 -97.819 137.482-124.095 - 94.304 119.445 0.000 0.000 - 119.799 -8.293 0.000 0.000 - 91.756 67.330 96.307 -79.980 - 90.268 92.484 110.957 -78.725 - 94.263 -42.068 118.426-134.781 - 97.160 92.115 0.000 0.000 - 125.037 -79.712 116.819-133.072 - 120.254-112.656 115.674-120.459 - 120.344-140.405 112.299-112.469 - 93.179 60.678 95.322 -92.058 - 93.345 0.000 111.329 -80.646 - # 128 total E -8.61186E+01 rmsd from N 0.000 %NC 0.00 0 - 93.871 120.261 147.135 -11.118 - 91.362 85.718 128.629 -15.343 - 90.817 45.692 92.722 -87.738 - 90.284 45.612 146.932 -97.119 - 90.077 42.771 120.936-127.905 - 90.982 48.499 144.801 23.272 - 90.346 44.075 131.660-159.717 - 91.876 75.029 136.855-133.668 - 90.582 -95.747 137.600-122.512 - 95.628 53.595 0.000 0.000 - 151.573 -71.397 0.000 0.000 - 129.261 161.817 104.761 -96.369 - 93.913 78.891 111.360 -79.094 - 120.329 -47.059 123.894 -79.636 - 95.746 93.845 0.000 0.000 - 125.020 -80.236 117.891-114.887 - 120.879-111.142 115.754-120.926 - 118.391-138.517 106.176-105.860 - 117.548-118.919 125.424-134.720 - 121.863 0.000 121.668 -80.953 - # 129 total E -8.49815E+01 rmsd from N 0.000 %NC 0.00 0 - 93.909 123.636 146.077 -7.006 - 91.491 85.202 133.280 -22.194 - 90.443 48.292 95.975 -90.452 - 88.862 45.490 154.086-101.368 - 89.095 50.218 125.259-124.937 - 89.101 47.473 153.465 98.504 - 90.106 64.799 140.960-110.875 - 90.428 30.921 135.107-131.630 - 92.982-115.641 109.481 -80.483 - 94.412 148.070 0.000 0.000 - 134.980 -50.213 0.000 0.000 - 91.793 59.752 97.909-102.332 - 90.308 72.847 111.699 -78.088 - 92.012 47.231 114.394 -83.451 - 94.239 71.068 0.000 0.000 - 112.024 -68.849 81.340 -71.158 - 116.688-107.433 119.976-127.499 - 119.842-145.838 110.191-109.451 - 93.882 51.193 94.916-105.605 - 93.414 0.000 129.578-142.473 - # 130 total E -8.55634E+01 rmsd from N 0.000 %NC 0.00 0 - 93.856 117.782 147.444 -12.821 - 91.359 85.318 127.283 -11.820 - 90.660 47.441 91.894 -90.836 - 90.361 45.350 146.149 -95.970 - 89.929 42.965 121.233-128.906 - 90.856 48.391 134.057 25.564 - 90.754 47.216 132.810-165.372 - 91.457 41.472 137.591-132.616 - 93.302-173.075 114.282 -86.618 - 122.876 169.237 0.000 0.000 - 122.845 -39.698 0.000 0.000 - 92.466 65.377 86.031 -86.615 - 93.363 146.077 112.219 -80.098 - 95.734 18.596 121.809-174.997 - 97.110 67.517 0.000 0.000 - 126.608 -66.740 117.291 -66.160 - 113.975-100.934 116.795-124.802 - 122.972-152.113 112.668-110.711 - 92.984 65.752 97.235-108.845 - 93.345 0.000 108.392 -82.700 - # 131 total E -8.55765E+01 rmsd from N 0.000 %NC 0.00 0 - 93.784 101.033 149.518 -19.354 - 92.059 134.474 118.310 -45.213 - 90.771 57.085 86.218 -95.417 - 89.450 41.961 147.766 -96.906 - 89.363 52.173 124.518-147.134 - 89.992 46.832 139.236 28.055 - 90.522 45.476 139.487-108.590 - 92.096 76.027 131.525-136.575 - 92.539-111.694 137.663-124.570 - 95.029 112.360 0.000 0.000 - 132.034 -42.567 0.000 0.000 - 115.436-152.042 130.427-140.776 - 126.795 178.658 151.915-103.257 - 121.947 -91.633 116.898 -79.717 - 95.503 164.038 0.000 0.000 - 129.100 -98.751 130.693-109.162 - 117.554-107.216 124.193-134.442 - 121.013-144.024 108.196-105.881 - 93.060 73.249 107.078-112.672 - 93.316 0.000 111.797 -78.727 - # 132 total E -8.58396E+01 rmsd from N 0.000 %NC 0.00 0 - 93.918 121.578 144.817 -9.220 - 91.544 87.950 134.254 -18.215 - 91.099 43.644 131.798 110.418 - 90.444 46.144 142.832 -89.498 - 89.704 42.771 121.225-129.607 - 90.176 55.650 139.866 -0.085 - 90.292 40.195 143.710 165.133 - 91.950 73.081 129.398-134.048 - 92.351 -79.865 135.769-124.913 - 95.200 169.932 0.000 0.000 - 147.961 -38.232 0.000 0.000 - 89.961 53.361 132.775-162.228 - 90.235 48.933 111.314 -77.557 - 93.260-107.212 109.094 -77.936 - 96.499 144.779 0.000 0.000 - 123.554 -86.178 135.262 -55.469 - 118.716-112.591 116.755-122.637 - 118.558-132.957 111.731-113.022 - 119.359-118.221 112.698-111.713 - 121.802 0.000 121.412 -80.973 - # 133 total E -8.43407E+01 rmsd from N 0.000 %NC 0.00 0 - 93.931 122.910 144.527 -7.528 - 91.495 87.354 133.908 -18.305 - 91.436 41.993 129.029 110.470 - 90.154 47.633 143.970 -90.523 - 89.728 43.627 119.576-130.614 - 90.280 53.575 132.020 30.676 - 90.289 34.863 140.507 176.703 - 92.354 58.689 129.201-131.580 - 92.222 -59.062 133.553-109.130 - 123.603 -64.145 0.000 0.000 - 123.380 -7.767 0.000 0.000 - 115.630 176.960 81.886 -80.610 - 92.766 89.676 111.756 -71.817 - 93.854 5.733 115.129 -76.193 - 120.957 -22.479 0.000 0.000 - 128.040 -85.761 88.707 -63.481 - 116.910-106.965 113.975-117.892 - 119.263-139.900 111.184-113.459 - 93.189 79.418 102.989-108.973 - 93.300 0.000 111.316 -78.079 - # 134 total E -8.64118E+01 rmsd from N 0.000 %NC 0.00 0 - 94.008 127.675 142.108 0.693 - 91.403 88.912 136.589 -18.957 - 90.807 46.644 121.162 107.014 - 90.157 43.667 151.146 -94.073 - 90.202 48.144 119.775-127.178 - 90.791 52.801 125.305 33.357 - 90.015 41.122 141.355-120.067 - 91.251 61.890 128.548-136.531 - 93.151-176.871 137.749-115.828 - 94.864 153.988 0.000 0.000 - 120.255 -3.314 0.000 0.000 - 100.726-158.280 98.454-106.331 - 125.065 175.736 134.068 138.396 - 96.690 -66.502 112.631 -79.813 - 94.634 41.018 0.000 0.000 - 116.438 -84.208 136.968 48.530 - 120.697-168.297 108.358-106.544 - 123.586-143.810 117.851-119.500 - 93.517 74.199 133.038-156.456 - 93.306 0.000 112.981 -77.495 - # 135 total E -8.70395E+01 rmsd from N 0.000 %NC 0.00 0 - 93.973 125.828 143.276 -3.123 - 91.469 91.253 135.379 -17.612 - 90.951 45.986 124.104 97.835 - 89.628 47.332 142.610 -89.955 - 89.543 45.035 121.978-133.860 - 89.741 55.346 123.537 25.117 - 89.919 36.770 146.997 173.569 - 91.954 63.350 127.719-133.087 - 92.201 -55.102 135.781-115.595 - 122.199 -63.133 0.000 0.000 - 121.795 -32.836 0.000 0.000 - 111.720 161.085 89.465 -77.672 - 93.285 81.487 135.131 122.635 - 120.003 -42.885 117.738 -77.300 - 94.632 87.574 0.000 0.000 - 116.160 -64.740 120.735-113.888 - 118.960-109.914 116.289-122.742 - 119.933-135.840 107.904-106.427 - 118.430-118.867 118.980-124.833 - 121.916 0.000 121.574 -81.105 - # 136 total E -8.44319E+01 rmsd from N 0.000 %NC 0.00 0 - 93.840 98.163 148.397 -7.151 - 93.026 168.608 129.481 -32.010 - 111.489 172.701 124.492-120.323 - 124.940 168.172 159.966 -86.843 - 91.774 72.284 132.225-127.282 - 92.189 125.360 98.549 -74.391 - 91.149 74.105 145.710 -95.770 - 90.874 107.618 105.771-122.578 - 91.323 -19.557 134.634-131.352 - 98.335 -73.022 0.000 0.000 - 96.275 -18.324 0.000 0.000 - 92.998 105.162 133.816-157.969 - 93.364 128.772 134.718-116.292 - 121.020 -89.959 115.298 -89.429 - 95.617 48.003 0.000 0.000 - 124.341 -86.573 145.616 -47.695 - 117.595-110.544 121.501-130.451 - 124.099-152.181 113.828-110.963 - 92.911 73.711 106.691-113.439 - 93.328 0.000 110.187 -80.313 - # 137 total E -8.55201E+01 rmsd from N 0.000 %NC 0.00 0 - 93.906 124.535 146.491 -6.030 - 91.319 85.584 127.548 -19.417 - 91.089 47.608 95.765 -83.359 - 91.330 41.254 153.028-102.342 - 90.630 43.940 120.048-116.538 - 91.438 52.035 126.277 93.887 - 90.224 67.069 136.276-133.511 - 90.553 28.746 134.424-130.905 - 93.273-113.456 142.288-115.387 - 94.036 133.107 0.000 0.000 - 110.322 5.123 0.000 0.000 - 93.405 113.061 89.120 -87.307 - 92.461 87.410 109.470 -78.351 - 94.875 14.590 114.015 -78.035 - 98.637 80.339 0.000 0.000 - 133.155 -87.404 164.065 -95.069 - 119.712-113.620 109.534-113.020 - 119.033-141.984 114.235-115.485 - 93.330 70.833 104.322-103.770 - 93.313 0.000 112.958 -77.923 - # 138 total E -8.43578E+01 rmsd from N 0.000 %NC 0.00 0 - 93.924 117.154 144.942 5.781 - 92.335 153.426 136.728 -25.006 - 90.996 96.175 129.812-111.659 - 91.043 47.136 144.645-104.072 - 89.952 43.225 88.682 -68.498 - 91.305 75.401 110.169 -57.393 - 90.533 50.522 154.206-159.010 - 91.015 70.459 91.057 -88.975 - 92.366 -80.916 106.513 -81.176 - 95.711 170.361 0.000 0.000 - 143.907 -53.983 0.000 0.000 - 135.531 157.762 104.964 -94.519 - 92.515 125.793 114.169 -76.397 - 125.356 -67.664 128.602-131.682 - 95.185 78.030 0.000 0.000 - 120.162 -78.695 101.387 -74.114 - 125.017-166.925 111.338-111.009 - 110.287-147.376 132.038-146.760 - 93.790 45.780 99.332 -90.439 - 93.373 0.000 114.361 -79.756 - # 139 total E -8.83592E+01 rmsd from N 0.000 %NC 0.00 0 - 93.898 122.210 146.215 -8.928 - 91.281 86.418 128.067 -12.877 - 90.562 49.577 96.311 -90.753 - 89.543 44.378 151.337 -97.434 - 90.003 46.941 123.145-127.576 - 91.145 48.919 121.467 54.718 - 90.632 43.383 128.446-146.363 - 91.662 58.350 133.471-134.525 - 92.680 166.609 139.716-132.252 - 132.419 -84.532 0.000 0.000 - 96.380 23.215 0.000 0.000 - 93.831 58.337 99.120 -96.695 - 92.468 -34.636 117.914 -75.438 - 119.301-112.533 114.937 -78.818 - 95.562 152.259 0.000 0.000 - 118.956 -72.311 147.792 -20.822 - 114.722-113.409 88.032 -86.446 - 116.655-144.643 119.136-123.426 - 93.540 71.929 134.173-159.838 - 93.309 0.000 113.433 -77.374 - # 140 total E -8.66918E+01 rmsd from N 0.000 %NC 0.00 0 - 93.939 93.308 139.425 -19.504 - 93.189 112.407 152.634 -29.975 - 132.711 -97.600 89.364 -98.406 - 91.301 59.292 142.653-102.215 - 89.478 42.293 113.898 -29.167 - 89.079 55.523 148.579 110.063 - 89.424 51.108 147.505 -35.731 - 89.568 41.632 133.738-142.175 - 91.163-118.937 141.130-111.142 - 95.002 123.747 0.000 0.000 - 94.506 40.339 0.000 0.000 - 89.914 54.204 114.407-114.510 - 88.992 92.553 125.950-168.710 - 93.788 -41.608 112.082 -82.394 - 97.913 86.927 0.000 0.000 - 128.980 -85.916 141.386 -69.858 - 121.066-111.673 109.469-111.790 - 117.608-143.702 115.417-117.975 - 93.792 52.914 102.244-108.484 - 93.414 0.000 128.944-142.367 - # 141 total E -8.56952E+01 rmsd from N 0.000 %NC 0.00 0 - 93.940 121.134 143.358 -8.941 - 91.598 88.034 139.292 -17.710 - 91.425 43.702 140.846 113.439 - 90.721 47.036 144.354 -92.741 - 89.759 47.525 122.249-126.931 - 90.012 43.517 150.478 -35.191 - 90.341 54.381 136.018-149.581 - 90.771 42.158 124.046-102.838 - 91.339-115.398 101.798 -81.753 - 93.771 154.472 0.000 0.000 - 92.833 47.016 0.000 0.000 - 89.478 47.942 126.270-149.858 - 90.544 52.589 111.896 -76.754 - 93.205-112.634 112.433 -76.602 - 95.424 157.758 0.000 0.000 - 125.229 -85.909 140.722 -58.960 - 118.459-111.092 115.702-121.912 - 118.395-137.363 109.623-110.340 - 117.753-118.707 124.101-130.347 - 121.859 0.000 121.578 -80.993 - # 142 total E -8.40226E+01 rmsd from N 0.000 %NC 0.00 0 - 93.727 108.637 153.291 -20.001 - 93.020 128.531 137.708 -30.856 - 123.516 -99.009 96.337 -93.815 - 91.718 54.864 145.835-106.044 - 90.192 44.302 121.534 -74.544 - 91.038 46.179 115.775 -28.501 - 90.997 46.849 143.772-102.277 - 92.035 47.292 139.782-134.802 - 93.150-114.470 110.122 -79.914 - 94.467 161.435 0.000 0.000 - 132.145 -37.517 0.000 0.000 - 115.496 177.724 118.550-123.797 - 122.391 179.942 121.689 -79.436 - 96.395 -61.886 114.734 -77.313 - 94.958 165.943 0.000 0.000 - 129.558-108.560 105.553 -90.165 - 117.984-109.629 115.701-122.420 - 118.244-149.256 111.400-111.795 - 93.964 34.617 95.074-104.414 - 93.449 0.000 115.329 -81.806 - # 143 total E -8.52114E+01 rmsd from N 0.000 %NC 0.00 0 - 93.876 123.863 147.903 -7.594 - 91.436 84.145 128.650 -31.281 - 91.664 45.416 94.473 -81.978 - 90.930 42.869 149.809 -99.217 - 90.443 45.267 118.661-115.453 - 91.207 44.914 162.746 34.158 - 90.470 54.951 128.927-143.432 - 91.062 48.950 126.751-106.280 - 92.311-116.730 111.959 -81.899 - 95.316 157.540 0.000 0.000 - 132.807 -56.842 0.000 0.000 - 105.349 173.707 98.703 -91.179 - 94.371 146.577 129.550 154.051 - 112.958 -69.700 114.569 -80.676 - 94.777 67.471 0.000 0.000 - 122.398 -79.173 87.825 -66.817 - 116.610-109.828 120.060-127.677 - 122.258-141.325 112.043-109.174 - 117.678-126.379 118.033-122.202 - 122.843 0.000 123.397 -81.916 - # 144 total E -8.59758E+01 rmsd from N 0.000 %NC 0.00 0 - 93.889 122.860 146.814 -8.607 - 91.344 87.078 126.746 -22.724 - 91.376 46.952 96.317 -87.763 - 90.316 41.643 147.174 -97.286 - 90.575 46.861 116.297-122.753 - 90.863 48.028 136.496 61.818 - 90.099 49.907 129.253-151.632 - 90.809 41.576 135.558-134.142 - 92.566-110.851 136.217-108.202 - 123.864 -82.207 0.000 0.000 - 109.364 -24.860 0.000 0.000 - 91.374 87.513 104.025-105.741 - 92.459 39.543 106.582 -77.683 - 94.510-123.648 114.778 -79.280 - 95.548 123.248 0.000 0.000 - 122.517 -84.416 133.559 -42.590 - 117.572-161.266 112.698-115.412 - 121.002-166.434 128.554-133.683 - 93.617 52.587 94.883 -90.161 - 93.346 0.000 112.916 -79.693 - # 145 total E -8.53606E+01 rmsd from N 0.000 %NC 0.00 0 - 116.786 -84.105 147.540 -34.709 - 91.386 83.545 128.228 -11.292 - 91.047 47.237 98.322 -91.932 - 89.782 45.126 152.509 -96.624 - 90.113 46.715 123.728-125.248 - 91.196 48.585 120.904 62.718 - 90.799 43.292 128.186-144.625 - 91.828 56.131 134.462-134.955 - 93.136-176.759 141.750-133.321 - 133.916 -69.749 0.000 0.000 - 111.410 -6.467 0.000 0.000 - 91.019 72.539 100.938 -97.099 - 90.204 -0.091 107.595 -76.385 - 107.766-135.210 103.607 -75.616 - 94.733 122.598 0.000 0.000 - 120.300 -71.698 140.822 -43.429 - 114.804-131.495 90.694 -82.949 - 106.845-172.561 130.529-146.682 - 93.312 49.825 108.510-107.599 - 93.346 0.000 113.351 -79.388 - # 146 total E -8.43396E+01 rmsd from N 0.000 %NC 0.00 0 - 93.874 114.231 145.199 -16.007 - 91.761 109.065 132.310 -28.555 - 90.493 55.304 95.882 -89.192 - 89.897 42.413 146.760 -95.878 - 90.259 44.341 128.994-135.204 - 90.883 47.192 144.964 111.949 - 90.829 54.042 136.682 -55.206 - 90.872 97.479 134.526-118.000 - 91.850 -57.673 103.760 -83.906 - 96.278 91.984 0.000 0.000 - 138.996 -39.441 0.000 0.000 - 123.026-151.994 116.436-116.694 - 119.126 172.628 120.023 -80.035 - 121.974 -86.133 117.023 -79.322 - 95.011 160.516 0.000 0.000 - 130.841 -80.095 156.509 -90.399 - 117.507-107.245 114.433-120.926 - 119.429-138.690 113.739-113.944 - 93.545 76.905 130.744-153.746 - 93.300 0.000 112.397 -77.491 - # 147 total E -8.67136E+01 rmsd from N 0.000 %NC 0.00 0 - 93.774 86.457 147.647 -27.118 - 92.850 117.706 146.352 -34.644 - 134.096 -94.993 84.824 -98.686 - 91.105 61.219 141.567-108.900 - 89.972 41.762 115.228 -93.555 - 90.564 55.801 152.715 21.456 - 90.860 67.652 136.758 -47.399 - 91.455 103.400 119.851-122.460 - 91.305 -23.012 143.365-137.796 - 99.690 -69.483 0.000 0.000 - 98.639 -23.421 0.000 0.000 - 93.057 102.821 103.938 -97.942 - 93.765 113.616 119.067 -75.872 - 118.404 -92.876 115.872 -85.273 - 94.846 63.563 0.000 0.000 - 130.287 -84.530 101.514 -64.793 - 117.800-109.030 114.071-118.873 - 119.876-137.916 116.737-116.740 - 118.383-118.516 120.183-124.113 - 121.915 0.000 121.453 -81.159 - # 148 total E -8.72465E+01 rmsd from N 0.000 %NC 0.00 0 - 93.740 81.266 105.498 -76.817 - 92.749 121.869 138.620 -45.518 - 128.824 -93.478 90.864-102.201 - 91.316 57.455 141.192-101.857 - 89.958 36.915 116.246 -68.633 - 91.124 55.011 147.464 -32.451 - 90.544 43.835 133.510 156.712 - 91.710 77.768 101.437 -93.869 - 90.613 -61.454 133.036-139.440 - 105.090 -63.669 0.000 0.000 - 98.012 -33.222 0.000 0.000 - 92.665 105.772 108.533 -96.023 - 93.282 107.923 113.345 -77.379 - 117.343 -75.277 118.703 -87.355 - 95.137 80.719 0.000 0.000 - 129.777 -70.124 121.463-124.042 - 118.610-105.897 114.514-120.596 - 118.775-153.224 107.440-106.747 - 92.805 59.205 107.037-122.568 - 93.347 0.000 110.763 -81.179 - # 149 total E -8.61905E+01 rmsd from N 0.000 %NC 0.00 0 - 93.618 101.675 156.521 -31.283 - 93.311 122.499 139.922 -45.305 - 130.995 -99.317 90.619 -99.105 - 92.513 56.832 147.652-107.616 - 91.088 37.219 108.380 -87.398 - 91.665 57.028 152.181 96.866 - 90.484 39.437 145.586-127.057 - 92.391 66.330 133.368-136.770 - 91.108 -67.933 139.133-137.701 - 109.884 -57.226 0.000 0.000 - 107.130 -76.145 0.000 0.000 - 92.321 65.971 134.226-161.606 - 94.258 136.061 113.878 -76.522 - 124.171 -96.191 119.006 -85.297 - 95.513 67.595 0.000 0.000 - 132.295 -86.773 109.898 -56.097 - 117.898-102.096 124.865-133.080 - 118.449-142.132 111.466-111.532 - 93.208 54.908 99.924-112.140 - 93.356 0.000 112.664 -80.211 - # 150 total E -8.60309E+01 rmsd from N 0.000 %NC 0.00 0 - 93.916 129.593 147.499 -6.485 - 107.835-175.994 139.298 -26.834 - 109.772-167.205 116.209-124.875 - 90.206 53.489 145.214-102.993 - 89.242 43.014 113.722 -94.188 - 90.852 56.489 146.185 -27.140 - 90.130 40.260 137.307-161.065 - 91.634 74.072 99.153 -97.285 - 90.894 -55.089 133.635-138.517 - 109.982 -72.235 0.000 0.000 - 102.025 -26.289 0.000 0.000 - 92.942 100.521 140.157-168.221 - 93.169 103.058 114.616 -78.487 - 122.991 -84.439 134.857-161.669 - 96.045 77.335 0.000 0.000 - 126.380 -79.811 139.553 -95.555 - 119.418-111.854 114.984-120.221 - 120.681-137.771 109.847-109.175 - 117.655-118.713 123.410-128.042 - 121.880 0.000 121.573 -81.040 - # 151 total E -8.33415E+01 rmsd from N 0.000 %NC 0.00 0 - 93.920 124.689 145.772 -5.564 - 91.401 86.143 129.038 -22.836 - 91.833 46.244 98.033 -86.384 - 90.900 40.491 150.513 -96.741 - 90.474 48.793 116.851-116.717 - 91.478 50.676 128.669 57.780 - 90.366 45.966 130.309-145.000 - 91.371 50.410 131.130-134.971 - 93.176 166.123 141.254-116.820 - 95.315 60.336 0.000 0.000 - 125.855 -39.461 0.000 0.000 - 114.057-149.714 126.649-135.011 - 131.191-171.029 151.859-109.103 - 93.816 62.343 115.702 -76.241 - 124.122 -12.480 0.000 0.000 - 112.918 -68.789 149.386 -35.523 - 118.924-117.505 110.210-114.001 - 122.335-162.749 117.986-117.338 - 93.398 57.913 99.662-104.686 - 93.340 0.000 112.256 -79.858 - # 152 total E -8.99950E+01 rmsd from N 0.000 %NC 0.00 0 - 93.705 44.941 109.235 -81.158 - 92.957 172.481 143.155 -20.332 - 91.921 77.116 143.856 110.895 - 89.829 48.527 145.785 -97.749 - 89.338 44.951 112.805 -63.322 - 90.504 51.858 157.926 -6.077 - 90.550 42.334 135.846-163.971 - 91.673 72.326 103.641 -98.625 - 90.812 -60.308 130.568-136.080 - 108.699 -69.471 0.000 0.000 - 101.025 -26.830 0.000 0.000 - 92.996 100.183 138.684-165.270 - 93.335 107.437 115.443 -78.752 - 124.189 -87.723 130.776-159.192 - 95.583 73.611 0.000 0.000 - 124.880 -80.122 131.723 -84.672 - 118.781-110.959 116.390-122.495 - 120.444-147.018 110.950-110.808 - 93.056 85.452 101.032-107.819 - 93.427 0.000 119.546-131.229 - # 153 total E -8.80552E+01 rmsd from N 0.000 %NC 0.00 0 - 93.926 126.189 146.045 -3.409 - 91.292 88.235 126.574 -19.268 - 91.300 50.627 101.855 -91.767 - 89.842 41.098 151.478-104.721 - 90.012 49.057 119.003-120.791 - 90.371 59.384 130.707 35.447 - 90.041 39.283 131.261-156.787 - 91.887 60.292 129.320-133.069 - 92.318 -69.704 138.268-119.697 - 118.773 -47.789 0.000 0.000 - 119.608 -57.261 0.000 0.000 - 111.508 152.075 131.351-143.868 - 93.612 86.704 114.194 -76.735 - 131.462-104.794 125.099 -84.508 - 95.843 95.577 0.000 0.000 - 132.472 -79.935 84.227 -78.682 - 119.074-143.066 110.712-113.731 - 127.435-167.230 114.685-110.373 - 92.548 81.732 100.561-101.302 - 93.332 0.000 108.932 -80.909 - # 154 total E -8.58736E+01 rmsd from N 0.000 %NC 0.00 0 - 93.867 112.969 145.905 -15.417 - 92.931 117.934 140.257 -32.125 - 123.016 -90.561 92.670 -87.832 - 90.473 60.329 143.424-116.109 - 89.599 41.805 130.483-122.562 - 89.359 60.677 123.338 16.697 - 89.648 38.580 153.169-144.155 - 91.419 63.528 126.140-138.922 - 91.526 -54.228 136.216-115.799 - 117.040 -85.441 0.000 0.000 - 121.469 -58.910 0.000 0.000 - 108.576 175.837 131.876-145.613 - 94.031 74.353 114.941 -78.559 - 93.296 -94.981 118.583 -76.471 - 94.621 152.238 0.000 0.000 - 131.282-109.082 139.572-106.216 - 117.976-112.729 115.024-120.868 - 119.230-168.758 116.811-118.795 - 93.866 29.632 91.302 -79.431 - 93.440 0.000 113.488 -82.330 - # 155 total E -8.37963E+01 rmsd from N 0.000 %NC 0.00 0 - 93.862 92.147 145.608 -15.060 - 91.448 67.185 132.262 -52.651 - 90.835 53.078 171.933 17.596 - 89.263 50.875 142.193 -84.418 - 89.356 46.959 116.594-129.614 - 89.607 50.366 126.022 -99.310 - 90.018 55.804 141.711-152.379 - 90.105 64.343 136.133-133.148 - 91.543-154.089 136.821-132.262 - 94.744 68.730 0.000 0.000 - 91.573 49.085 0.000 0.000 - 89.190 49.892 80.900 -82.422 - 89.372 82.931 115.004 -78.019 - 91.731 5.380 112.874 -78.799 - 107.595 -75.876 0.000 0.000 - 122.862-145.147 118.574 -33.662 - 119.088-108.984 116.446-120.153 - 117.502-112.649 110.501-110.710 - 92.721 78.675 99.788-104.570 - 93.266 0.000 107.139 -79.693 - # 156 total E -8.42474E+01 rmsd from N 0.000 %NC 0.00 0 - 93.774 48.068 147.076 -28.653 - 92.897 172.161 143.606 -20.703 - 91.765 76.256 141.624 96.422 - 89.354 43.865 143.969 -91.539 - 89.718 48.783 102.676 -56.793 - 89.891 54.072 131.388 58.393 - 90.327 38.350 137.351-171.498 - 92.438 57.121 128.341-131.918 - 92.688 -56.185 144.149-121.317 - 122.438 -62.012 0.000 0.000 - 122.371 -23.432 0.000 0.000 - 94.716 85.674 83.534 -82.557 - 135.456 -89.946 149.801 2.535 - 124.639 -59.017 118.064 -80.297 - 95.412 71.187 0.000 0.000 - 116.749 -79.880 83.447 -64.930 - 116.570-112.397 112.458-114.634 - 120.608-145.005 134.215-144.146 - 92.689 75.372 100.888-100.662 - 93.321 0.000 110.158 -79.995 - # 157 total E -8.69593E+01 rmsd from N 0.000 %NC 0.00 0 - 93.799 98.559 147.385 -24.701 - 93.138 118.232 146.840 -28.071 - 129.042-103.221 89.486 -97.025 - 91.790 62.400 144.995-111.371 - 90.707 42.260 113.287 -85.496 - 90.790 55.308 141.736 42.084 - 90.162 40.461 136.894-142.581 - 91.651 69.929 131.107-137.875 - 91.794 -40.704 141.215-128.686 - 116.080-155.345 0.000 0.000 - 92.526 47.637 0.000 0.000 - 89.557 49.348 97.788 -97.827 - 89.356 46.996 110.299 -74.817 - 93.833 179.983 114.071 -77.997 - 94.414 113.190 0.000 0.000 - 128.844 -78.871 106.047 -99.001 - 118.022-108.722 114.628-120.833 - 120.714-146.511 113.150-112.687 - 93.648 58.701 98.050-108.171 - 93.404 0.000 128.633-137.629 - # 158 total E -8.43022E+01 rmsd from N 0.000 %NC 0.00 0 - 93.855 118.674 147.543 -13.125 - 91.639 88.030 132.929 -18.112 - 91.038 45.348 90.958 -86.166 - 90.234 44.274 140.995 -96.096 - 89.612 50.090 122.201-125.136 - 90.433 49.743 116.313 -4.235 - 90.894 75.485 151.099-125.360 - 91.560 9.429 85.870 -84.158 - 98.869-111.494 97.813 -79.483 - 93.544 154.874 0.000 0.000 - 122.895 -21.663 0.000 0.000 - 113.350-152.978 86.452 -83.366 - 137.686 164.922 121.536 -81.138 - 96.256 -1.932 113.891 -77.330 - 97.294 85.082 0.000 0.000 - 126.636 -63.942 117.524-117.221 - 113.547-109.616 89.817-106.780 - 120.570-136.889 111.762-110.750 - 93.698 78.277 125.887-147.983 - 93.297 0.000 111.812 -77.703 - # 159 total E -8.50387E+01 rmsd from N 0.000 %NC 0.00 0 - 93.851 110.749 147.249 -12.421 - 91.613 80.945 136.528 -28.271 - 91.498 45.022 136.097 -91.639 - 91.326 46.594 142.760 -97.015 - 90.699 44.210 117.650-123.628 - 91.182 51.643 109.734 -66.192 - 90.436 64.329 145.066-135.468 - 90.295 26.834 92.046 -75.007 - 94.244-110.645 99.587 -85.839 - 93.657 157.206 0.000 0.000 - 146.931 -32.669 0.000 0.000 - 115.146-140.139 88.951 -80.409 - 109.381-161.440 118.515 -77.245 - 133.004 -65.627 125.527-141.979 - 96.317 68.111 0.000 0.000 - 120.584 -90.677 83.396 -92.848 - 117.939-111.684 118.905-126.310 - 114.870-132.351 146.326-166.469 - 93.872 56.342 98.839-100.368 - 93.330 0.000 116.242 -76.876 - # 160 total E -8.38550E+01 rmsd from N 0.000 %NC 0.00 0 - 93.870 120.543 147.314 -10.584 - 91.407 85.745 127.607 -19.112 - 91.056 46.589 92.947 -86.972 - 90.741 44.482 147.045 -95.545 - 90.487 43.193 120.079-122.469 - 91.199 53.101 152.731 43.994 - 91.533 77.991 131.750-164.827 - 92.600 -60.924 131.759-131.057 - 112.763 173.440 149.647 -15.517 - 135.244 -70.598 0.000 0.000 - 97.496 -14.142 0.000 0.000 - 92.224 98.914 98.926 -98.055 - 93.230 144.321 136.260 -13.285 - 94.808 -28.051 118.276-159.492 - 97.401 93.041 0.000 0.000 - 129.246 -77.750 98.803 -60.900 - 116.232-104.078 119.372-125.524 - 120.282-139.806 116.753-116.641 - 93.447 75.076 99.182-108.506 - 93.308 0.000 111.968 -78.218 - # 161 total E -8.90750E+01 rmsd from N 0.000 %NC 0.00 0 - 93.797 83.696 146.442 -26.280 - 92.944 118.291 148.790 -31.794 - 134.466 -96.570 86.772-100.326 - 91.612 59.473 143.078-105.496 - 90.253 44.329 116.168 -58.211 - 90.568 52.255 155.193 37.991 - 90.908 65.050 131.360 -55.071 - 91.821 102.831 134.107-130.656 - 91.200 -24.914 146.321-131.863 - 101.501 -71.329 0.000 0.000 - 98.766 -21.598 0.000 0.000 - 93.309 102.339 134.415-157.703 - 94.090 112.110 119.581 -75.273 - 120.965 -98.769 117.921 -83.727 - 95.191 63.719 0.000 0.000 - 129.910 -86.016 101.160 -62.397 - 117.268-111.394 114.506-119.540 - 122.497-149.126 113.213-111.411 - 92.266 80.464 106.859-116.770 - 93.323 0.000 108.306 -81.114 - # 162 total E -8.71204E+01 rmsd from N 0.000 %NC 0.00 0 - 93.890 113.890 145.478 -10.296 - 91.476 77.738 127.265 -29.804 - 93.040 36.425 154.664 110.423 - 92.899 51.306 141.743 -85.649 - 90.689 38.874 117.849-123.911 - 91.180 54.438 119.082 -46.107 - 90.225 43.642 152.764-154.404 - 91.338 57.618 136.423-135.382 - 91.837 -87.133 136.946-112.052 - 116.196 -60.005 0.000 0.000 - 112.923 -60.735 0.000 0.000 - 127.122 148.114 114.301-111.956 - 94.560 76.808 114.067 -76.972 - 94.547 -84.584 113.094 -77.560 - 93.148 152.533 0.000 0.000 - 131.914 -72.527 150.986-101.553 - 114.554-104.961 110.377-117.943 - 119.391-136.625 111.009-109.258 - 93.608 79.831 125.961-147.694 - 93.295 0.000 111.337 -77.856 - # 163 total E -8.78942E+01 rmsd from N 0.000 %NC 0.00 0 - 93.708 92.822 151.257 -29.414 - 92.946 123.956 141.529 -45.761 - 135.752 -93.631 84.440 -99.885 - 90.162 64.426 146.290-110.723 - 88.983 55.934 118.995 -31.698 - 88.219 61.664 95.550 -56.053 - 89.110 49.078 152.971-107.960 - 89.187 50.528 119.395-145.124 - 91.494-166.706 139.454-117.657 - 95.195 75.380 0.000 0.000 - 93.873 44.418 0.000 0.000 - 89.701 50.274 102.281 -94.950 - 89.898 75.187 116.317 -79.719 - 93.225 22.130 112.832 -78.707 - 97.263 65.400 0.000 0.000 - 130.741 -91.981 134.471 -88.095 - 118.271-111.662 119.727-128.213 - 108.812-160.388 98.287 -95.202 - 94.242 27.471 93.442-104.300 - 93.475 0.000 116.977 -81.394 - # 164 total E -8.37097E+01 rmsd from N 0.000 %NC 0.00 0 - 93.859 79.891 145.937 -15.715 - 92.979 167.992 139.060 -38.848 - 107.555 168.970 116.907 -73.129 - 91.654 68.123 136.239-108.323 - 90.200 43.511 126.089-129.331 - 91.240 54.591 124.928 16.487 - 90.803 33.452 142.603-134.673 - 92.715 62.474 127.919-134.892 - 92.375 -48.521 132.578-108.910 - 122.726-143.540 0.000 0.000 - 110.875 -25.687 0.000 0.000 - 91.443 76.731 102.007-100.985 - 91.514 39.751 106.908 -76.666 - 92.956-128.885 117.799 -78.382 - 96.655 134.180 0.000 0.000 - 117.514 -82.067 138.489 -26.707 - 114.064-162.615 118.285-124.644 - 112.359-165.846 135.438-150.540 - 93.607 73.582 102.650 -98.890 - 93.311 0.000 113.518 -77.392 - # 165 total E -8.37996E+01 rmsd from N 0.000 %NC 0.00 0 - 93.717 97.886 151.193 -27.703 - 93.108 121.962 140.604 -35.220 - 129.498-100.230 95.190-100.104 - 92.758 52.669 159.224-137.522 - 90.835 43.987 107.751 -38.826 - 91.564 51.403 144.084 78.463 - 90.960 39.219 135.336-119.281 - 92.115 55.266 132.877-143.082 - 93.932-173.116 145.160 -23.452 - 93.790 126.084 0.000 0.000 - 122.197 -20.320 0.000 0.000 - 93.508 95.315 131.656-154.732 - 124.306-102.247 114.369 -77.420 - 130.095 -88.091 119.636 -80.353 - 95.898 169.295 0.000 0.000 - 129.030 -85.555 114.931-112.878 - 118.793-109.107 114.554-120.568 - 118.309-146.471 110.905-111.421 - 116.020-120.239 127.341-138.088 - 121.832 0.000 122.148 -80.632 - # 166 total E -8.55959E+01 rmsd from N 0.000 %NC 0.00 0 - 93.856 126.796 149.285 -12.622 - 115.245 177.840 149.847 -21.101 - 92.641 72.061 135.760 110.877 - 90.011 40.144 151.246 -95.589 - 89.533 50.816 118.727 -55.464 - 89.982 52.464 118.191 41.244 - 90.192 44.464 141.482-137.955 - 91.991 64.112 128.553-135.977 - 91.900 -68.150 141.261-126.017 - 115.445 -53.303 0.000 0.000 - 117.028 -51.872 0.000 0.000 - 107.438 105.061 142.609-164.547 - 92.662 117.023 117.957 -75.983 - 126.039 -90.651 111.736 -81.435 - 94.262 70.408 0.000 0.000 - 123.172 -75.707 121.515 -83.205 - 119.877-119.323 108.343-110.994 - 120.609-162.442 117.331-119.072 - 93.528 53.075 98.153 -98.830 - 93.350 0.000 112.098 -80.391 - # 167 total E -8.81473E+01 rmsd from N 0.000 %NC 0.00 0 - 93.702 40.181 108.962 -81.500 - 92.992 173.043 143.241 -19.810 - 91.658 77.455 140.539 105.050 - 89.625 43.439 149.471 -93.620 - 89.981 48.435 101.148 -59.697 - 90.587 48.862 155.857 44.178 - 90.610 44.468 135.457-138.416 - 92.356 70.189 132.677-135.654 - 91.414 -71.023 138.408-112.548 - 109.016 -50.335 0.000 0.000 - 118.984 -56.532 0.000 0.000 - 93.428 78.164 139.743-167.395 - 93.307 111.019 113.163 -76.533 - 94.408 -74.145 138.391-157.839 - 97.026 85.967 0.000 0.000 - 130.478 -85.345 141.079 -53.209 - 120.958-111.677 112.033-114.821 - 119.355-141.398 115.819-117.912 - 93.318 67.814 102.099-103.966 - 93.321 0.000 112.770 -78.467 - # 168 total E -8.94459E+01 rmsd from N 0.000 %NC 0.00 0 - 118.448 -86.551 111.190 -81.218 - 113.390-164.794 152.643 -15.987 - 93.297 65.573 132.079 119.390 - 90.142 46.417 148.152 -97.369 - 89.674 45.737 112.485 -67.825 - 90.574 51.155 160.484 -0.323 - 90.604 42.124 134.483-161.799 - 91.777 72.024 103.473 -98.997 - 90.832 -61.617 130.338-135.551 - 108.292 -69.236 0.000 0.000 - 100.685 -26.926 0.000 0.000 - 93.089 100.642 137.669-163.605 - 93.422 107.600 115.627 -78.722 - 124.439 -89.859 130.092-157.654 - 95.490 74.248 0.000 0.000 - 125.266 -76.873 129.250 -81.658 - 119.338-112.100 111.499-116.175 - 120.051-147.402 112.115-112.911 - 93.105 84.414 101.207-105.682 - 93.426 0.000 120.328-131.486 - # 169 total E -8.46752E+01 rmsd from N 0.000 %NC 0.00 0 - 93.929 93.813 139.977 -19.735 - 93.197 112.054 150.553 -30.900 - 132.590 -98.965 89.365 -98.324 - 91.241 60.279 146.133-113.974 - 89.244 42.073 113.122 -28.573 - 88.928 57.115 149.884 107.383 - 89.235 51.455 144.567 -39.355 - 89.410 41.709 131.323-142.204 - 91.145-119.001 141.174-112.382 - 95.131 123.113 0.000 0.000 - 94.594 39.783 0.000 0.000 - 90.009 55.005 114.504-114.527 - 88.914 91.840 125.684-170.470 - 93.809 -40.849 111.918 -82.448 - 98.027 87.232 0.000 0.000 - 129.027 -85.315 143.170 -72.469 - 121.008-111.900 110.791-113.854 - 118.602-141.471 112.599-113.719 - 120.065-110.070 114.690-116.053 - 120.668 0.000 119.753 -79.687 - # 170 total E -8.40841E+01 rmsd from N 0.000 %NC 0.00 0 - 93.865 119.789 146.840 -10.621 - 91.546 84.243 138.391 -27.199 - 90.881 47.506 121.009 114.124 - 89.825 43.235 148.077 -89.910 - 90.208 49.795 119.249-123.055 - 90.292 48.545 148.816 47.803 - 90.103 54.778 135.382-140.732 - 91.285 80.293 135.377-133.625 - 91.725 -80.924 142.610-133.323 - 130.870 -81.323 0.000 0.000 - 111.061 -19.868 0.000 0.000 - 92.352 95.004 102.180-102.929 - 92.439 139.593 109.355 -78.304 - 132.397 174.161 119.395 -89.966 - 95.761 70.567 0.000 0.000 - 112.109 -56.467 138.627 -71.056 - 109.388-146.734 94.619 -98.057 - 131.390-168.807 115.691-110.926 - 93.389 67.722 98.116 -99.623 - 93.302 0.000 114.308 -77.104 - # 171 total E -8.54774E+01 rmsd from N 0.000 %NC 0.00 0 - 115.917-174.807 152.433 -21.722 - 116.867-120.494 144.083 -27.680 - 91.864 54.928 124.957 118.350 - 90.426 42.546 148.826 -95.797 - 90.257 45.991 103.293 -61.471 - 90.327 50.518 165.527 41.997 - 90.364 46.103 140.106-141.732 - 91.928 82.012 132.790-135.313 - 91.813 -60.987 143.658-125.024 - 118.778 -23.559 0.000 0.000 - 118.162 -48.028 0.000 0.000 - 96.365 -39.044 92.442 -90.728 - 91.322 111.349 135.400 -41.348 - 94.906 23.315 113.607 -79.913 - 96.254 68.727 0.000 0.000 - 122.726 -78.132 114.847-129.157 - 116.111-107.444 120.079-130.277 - 112.197-139.387 102.035 -83.369 - 93.487 85.120 128.754-152.881 - 93.282 0.000 110.692 -77.418 - # 172 total E -8.48737E+01 rmsd from N 0.000 %NC 0.00 0 - 93.872 120.211 147.059 -11.079 - 91.319 85.526 127.492 -14.662 - 90.865 46.006 93.353 -89.314 - 90.205 45.671 147.330 -96.703 - 89.980 43.246 120.922-127.592 - 91.017 49.439 136.566 28.747 - 90.290 44.410 132.160-160.351 - 92.136 79.141 135.947-134.047 - 91.155 -96.927 141.031-126.742 - 95.819 53.541 0.000 0.000 - 146.920 -71.691 0.000 0.000 - 126.714 166.091 111.788-108.501 - 93.470 94.091 117.685 -75.258 - 95.692 4.457 115.472 -80.059 - 98.327 74.553 0.000 0.000 - 133.585 -80.829 154.695 -65.791 - 117.422-109.291 115.076-121.716 - 120.098-145.753 113.671-113.893 - 93.055 58.918 100.174-102.652 - 93.348 0.000 111.386 -80.707 - # 173 total E -8.33747E+01 rmsd from N 0.000 %NC 0.00 0 - 93.886 75.895 141.740 -23.231 - 92.627 128.759 142.482 -39.407 - 130.917-103.575 84.839-103.685 - 91.581 64.508 144.627-104.283 - 90.473 43.430 106.519 -89.381 - 91.845 55.032 126.723 43.254 - 90.706 36.127 132.622-146.063 - 92.480 65.747 130.152-135.651 - 93.364 161.307 138.206-130.439 - 133.225 -82.728 0.000 0.000 - 96.922 19.475 0.000 0.000 - 94.058 61.114 99.480 -96.862 - 92.277 -32.261 118.922 -75.519 - 118.241-107.655 115.720 -79.086 - 95.918 148.637 0.000 0.000 - 121.116 -75.384 146.323 -18.430 - 113.462-111.456 92.395 -88.187 - 118.034-143.928 122.347-127.361 - 93.363 72.776 136.692-162.733 - 93.307 0.000 113.420 -77.282 - # 174 total E -8.74112E+01 rmsd from N 0.000 %NC 0.00 0 - 93.990 124.836 141.906 -4.244 - 91.500 90.534 136.517 -14.752 - 90.987 47.442 131.926 96.629 - 90.217 42.322 148.370 -97.762 - 90.350 52.622 122.269-127.600 - 91.688 51.071 132.154 21.211 - 91.608 118.039 137.265-121.948 - 87.867 -38.959 110.562-120.983 - 90.534 -56.069 141.592-123.285 - 95.223 3.907 0.000 0.000 - 115.019 -46.398 0.000 0.000 - 92.556 -37.249 95.539 -95.677 - 93.018 97.011 113.995 -76.437 - 131.240-116.676 116.897 -84.434 - 95.431 160.314 0.000 0.000 - 126.889 -77.039 116.997 -62.969 - 116.895-104.997 119.716-127.290 - 118.984-149.849 110.079-110.872 - 93.065 77.738 102.577-113.526 - 93.428 0.000 121.344-137.392 - # 175 total E -8.36259E+01 rmsd from N 0.000 %NC 0.00 0 - 93.861 98.525 144.439 -19.686 - 92.449 128.407 155.799-107.062 - 130.151 -84.034 86.893 -94.916 - 91.152 52.819 144.492-111.332 - 90.330 38.542 120.003-103.067 - 91.272 61.421 137.281 -21.625 - 89.918 44.436 144.258-150.705 - 90.612 71.944 87.782 -78.171 - 91.000 -94.765 135.436-122.615 - 95.265 128.149 0.000 0.000 - 135.203 -57.345 0.000 0.000 - 121.106-175.588 124.683-128.255 - 93.692 107.878 114.947 -77.734 - 125.782-100.924 112.961 -81.700 - 95.606 88.407 0.000 0.000 - 129.141 -80.054 89.350 -64.900 - 117.128-106.843 121.770-129.478 - 122.464-138.777 107.795-103.562 - 92.832 75.003 93.354-106.179 - 93.319 0.000 109.830 -80.155 - # 176 total E -8.64295E+01 rmsd from N 0.000 %NC 0.00 0 - 93.773 104.362 149.559 -21.690 - 92.874 125.109 150.398 -40.822 - 128.877 -91.264 91.085 -94.418 - 91.463 55.096 147.736-115.004 - 89.845 41.861 127.379 -73.855 - 89.702 58.981 124.602 -30.951 - 89.693 40.952 147.548-135.629 - 91.053 65.473 127.106-138.831 - 91.398 -52.973 136.359-120.401 - 119.382 -70.277 0.000 0.000 - 131.997 -56.155 0.000 0.000 - 117.217 170.747 134.584-144.964 - 93.057 90.292 112.807 -77.591 - 125.001-106.370 119.594 -85.115 - 96.653 87.909 0.000 0.000 - 135.804 -91.185 126.731-111.309 - 120.017-108.068 117.675-123.539 - 118.613-151.235 113.430-114.865 - 93.778 36.187 89.900 -86.501 - 93.434 0.000 113.142 -82.784 - # 177 total E -8.43578E+01 rmsd from N 0.000 %NC 0.00 0 - 119.660-120.479 108.369 -77.877 - 116.988-104.411 147.454 -37.404 - 91.410 54.524 128.740 93.339 - 91.206 40.647 147.986 -95.655 - 90.972 47.369 117.726 -91.600 - 91.615 48.882 134.969 38.237 - 90.756 39.303 141.140-102.111 - 92.036 59.075 130.616-132.795 - 92.663 -80.266 129.045-127.447 - 125.140 -67.320 0.000 0.000 - 135.994 -33.147 0.000 0.000 - 108.841 -30.139 92.554 -81.839 - 90.570 93.290 129.877 151.142 - 91.506 -0.564 102.319 -80.149 - 116.537 -10.696 0.000 0.000 - 130.445 -74.296 131.262 -54.930 - 120.388-135.872 109.151-108.664 - 119.813-112.158 114.713-116.504 - 117.466-118.705 125.347-132.654 - 121.845 0.000 121.597 -80.964 - # 178 total E -8.42912E+01 rmsd from N 0.000 %NC 0.00 0 - 93.913 108.669 144.898 -0.061 - 92.722 162.180 138.637 -29.498 - 91.348 87.597 97.183 -76.252 - 90.367 51.964 141.474-107.356 - 90.373 46.066 86.505 -64.926 - 92.052 67.247 105.295 -67.479 - 91.609 151.983 152.033-135.914 - 92.294 90.222 134.054-119.212 - 91.919 -74.374 103.942 -82.787 - 94.562 165.621 0.000 0.000 - 134.335 -47.458 0.000 0.000 - 109.156-164.649 95.222 -88.940 - 93.302 90.665 114.528 -76.426 - 112.719 -93.503 115.353 -79.595 - 94.805 165.159 0.000 0.000 - 134.113 -76.208 158.376-106.762 - 117.982-105.622 116.314-123.149 - 120.791-144.904 112.435-112.222 - 92.727 59.480 96.063-105.645 - 93.357 0.000 108.405 -83.297 - # 179 total E -8.46944E+01 rmsd from N 0.000 %NC 0.00 0 - 93.968 126.356 143.791 -2.304 - 91.430 92.451 135.906 -12.548 - 90.484 46.409 99.389 -74.260 - 90.302 47.697 146.150 -99.788 - 89.649 49.664 124.436-137.222 - 89.402 63.654 115.213 -45.713 - 89.827 42.070 151.246-121.734 - 91.280 63.869 86.081 -73.667 - 92.055-102.522 138.864-115.489 - 94.579 139.157 0.000 0.000 - 115.776 -23.090 0.000 0.000 - 92.141 78.926 88.879 -69.720 - 90.678 97.144 111.983 -77.798 - 93.477 -41.883 119.853-142.994 - 96.802 93.235 0.000 0.000 - 129.801 -78.781 116.765-128.289 - 120.143-109.537 117.380-123.155 - 120.433-142.509 112.096-111.972 - 93.169 41.416 98.463 -96.837 - 93.418 0.000 113.360 -82.108 - # 180 total E -8.73086E+01 rmsd from N 0.000 %NC 0.00 0 - 93.877 120.767 146.918 -10.680 - 91.354 86.240 128.971 -14.793 - 90.801 45.914 93.614 -88.222 - 90.173 45.697 147.008 -96.801 - 90.128 42.918 120.999-128.759 - 90.956 48.375 144.726 28.598 - 90.398 43.792 131.376-158.960 - 92.049 75.434 136.903-133.800 - 90.632 -95.456 138.418-123.165 - 95.529 51.309 0.000 0.000 - 150.421 -71.173 0.000 0.000 - 129.961 164.298 105.076 -96.212 - 93.986 81.220 111.225 -80.021 - 121.358 -47.797 124.855 -80.293 - 95.703 89.106 0.000 0.000 - 123.703 -75.833 113.257-111.785 - 119.443-115.981 116.839-123.490 - 107.220-172.557 95.987 -95.042 - 92.396 52.852 98.083-105.927 - 93.366 0.000 106.426 -85.293 - # 181 total E -8.50602E+01 rmsd from N 0.000 %NC 0.00 0 - 93.968 125.597 143.452 -3.531 - 91.492 89.321 136.100 -19.942 - 90.901 48.130 127.125 100.207 - 89.926 43.880 147.636 -91.602 - 89.802 46.998 119.976-127.019 - 90.205 57.298 117.382 25.896 - 89.748 39.487 148.846-144.930 - 91.583 66.578 125.753-135.737 - 92.053 -57.264 138.587-122.497 - 122.790 -61.263 0.000 0.000 - 115.681 -16.206 0.000 0.000 - 104.750 -39.208 92.699 -83.720 - 94.854 -22.793 109.168 -73.497 - 108.881 -60.619 115.310 -77.407 - 95.097 75.587 0.000 0.000 - 125.721 -81.732 88.959 -63.989 - 116.963-109.313 114.483-118.192 - 117.339-140.553 131.963-141.109 - 93.414 67.910 102.472-101.722 - 93.317 0.000 113.404 -77.901 - # 182 total E -8.50551E+01 rmsd from N 0.000 %NC 0.00 0 - 93.767 96.296 148.666 -25.784 - 93.059 122.469 142.783 -30.429 - 129.281-100.409 94.700 -99.394 - 92.800 53.669 159.672-141.602 - 90.231 44.663 108.633 -36.779 - 90.573 50.898 147.445 85.477 - 90.402 66.454 138.045-123.276 - 91.024 22.474 132.837-127.774 - 94.284-105.974 110.136 -80.960 - 116.166 -63.002 0.000 0.000 - 99.438 -37.673 0.000 0.000 - 92.224 -45.383 95.248 -89.319 - 92.290 94.842 114.108 -76.244 - 126.448-105.874 116.772 -83.392 - 125.091-177.524 0.000 0.000 - 130.615 -85.197 128.008 -97.020 - 118.987-110.868 113.264-118.601 - 120.275-150.364 114.187-114.486 - 93.519 42.802 101.176-107.732 - 93.382 0.000 114.443 -80.013 - # 183 total E -8.76033E+01 rmsd from N 0.000 %NC 0.00 0 - 93.935 122.577 144.160 -8.037 - 91.521 89.425 134.354 -16.316 - 90.863 44.880 131.770 108.246 - 90.194 45.858 142.875 -89.754 - 89.637 43.312 122.571-131.659 - 90.142 54.713 138.634 4.800 - 90.365 41.265 144.425 165.757 - 91.983 73.549 130.112-134.423 - 92.298 -79.580 136.031-123.416 - 95.025 170.504 0.000 0.000 - 148.948 -39.665 0.000 0.000 - 90.142 53.112 131.730-160.761 - 90.363 50.803 111.311 -77.688 - 93.330-107.441 109.665 -78.677 - 96.263 141.796 0.000 0.000 - 124.699 -85.139 133.084 -57.506 - 118.085-110.211 116.797-122.877 - 118.120-141.740 113.362-115.393 - 93.325 66.637 103.043 -99.124 - 93.323 0.000 112.821 -78.568 - # 184 total E -9.01936E+01 rmsd from N 0.000 %NC 0.00 0 - 94.019 116.823 138.396 -7.317 - 91.485 79.857 147.000 -13.425 - 89.270 49.659 114.820 -64.906 - 89.567 43.136 168.546-161.036 - 89.606 46.403 134.286-109.267 - 89.709 56.911 112.099 23.707 - 90.098 37.621 143.436-129.144 - 92.025 69.586 126.811-141.065 - 93.139 -46.200 139.187-121.507 - 129.581-145.659 0.000 0.000 - 92.151 45.053 0.000 0.000 - 91.960 64.266 97.743 -96.662 - 92.622 -46.464 134.218-121.280 - 121.525-163.400 124.295 -77.674 - 128.890-177.842 0.000 0.000 - 129.267 -81.486 111.766-126.669 - 119.326-110.198 116.014-121.388 - 119.189-138.753 109.860-109.070 - 93.143 80.276 104.539-115.074 - 93.297 0.000 111.230 -77.975 - # 185 total E -8.70595E+01 rmsd from N 0.000 %NC 0.00 0 - 93.806 79.843 147.785 -20.600 - 91.791 80.247 149.284-132.116 - 89.958 79.257 123.464 -34.131 - 89.941 49.456 137.909 -97.957 - 89.546 42.889 108.474-108.529 - 90.117 60.614 103.701-133.448 - 89.701 61.007 146.817 -32.597 - 89.721 74.130 129.994-141.036 - 91.252-153.219 134.975-114.676 - 95.399 67.774 0.000 0.000 - 92.937 42.679 0.000 0.000 - 89.849 52.151 88.006 -68.907 - 89.547 71.813 115.599 -74.122 - 92.526 22.515 122.484-140.932 - 97.168 71.194 0.000 0.000 - 130.688 -88.909 126.968 -70.554 - 118.961-123.707 110.493-114.261 - 121.617-169.719 115.154-115.578 - 93.241 53.203 102.331 -96.022 - 93.350 0.000 111.321 -80.960 - # 186 total E -8.40936E+01 rmsd from N 0.000 %NC 0.00 0 - 93.763 98.899 149.057 -25.252 - 93.212 122.514 143.799 -29.221 - 125.648-100.439 90.580 -99.038 - 92.030 58.684 144.778-118.776 - 90.249 41.650 110.961 -34.742 - 90.640 50.532 147.707 102.636 - 90.649 48.877 145.751-118.312 - 91.413 48.087 137.279-141.549 - 92.243-115.964 140.207-108.474 - 93.675 125.558 0.000 0.000 - 107.979 -0.981 0.000 0.000 - 101.911-173.904 89.264 -93.448 - 117.630 175.442 142.953-165.230 - 121.696 -61.885 116.467 -83.097 - 113.033 -11.768 0.000 0.000 - 113.645 -81.066 97.877 -59.319 - 117.433-112.819 119.049-124.052 - 117.990-111.742 110.151-111.058 - 92.376 89.611 130.483-154.215 - 93.098 0.000 101.261 -76.751 - # 187 total E -8.49276E+01 rmsd from N 0.000 %NC 0.00 0 - 93.831 94.614 147.484 -14.805 - 91.380 71.029 141.462 -51.233 - 90.321 61.327 125.122 103.938 - 89.182 48.550 148.641 -91.140 - 90.459 43.908 109.278 -58.827 - 90.539 51.194 151.736 55.938 - 90.466 43.156 138.238-142.858 - 92.135 67.745 135.005-136.430 - 90.975 -67.451 140.634-118.177 - 109.964 -62.939 0.000 0.000 - 112.505 -67.152 0.000 0.000 - 92.280 67.331 131.835-157.670 - 93.341 110.548 113.438 -76.472 - 92.436 -53.773 117.514 -81.611 - 110.413 -27.846 0.000 0.000 - 128.520 -85.084 115.662 -57.239 - 116.863-110.202 115.370-122.222 - 119.419-140.632 110.136-109.074 - 117.488-119.559 128.427-137.368 - 121.751 0.000 121.986 -80.565 - # 188 total E -8.41066E+01 rmsd from N 0.000 %NC 0.00 0 - 93.932 126.895 145.966 -1.907 - 91.274 85.906 130.755 -1.293 - 89.445 56.823 97.954 -85.836 - 90.769 38.434 164.172-122.601 - 90.718 48.939 129.578-121.820 - 92.319 61.704 132.977 87.117 - 91.331 134.195 136.642-130.707 - 92.200 79.489 125.361-140.262 - 92.511 -83.377 104.712 -82.274 - 94.667 164.255 0.000 0.000 - 132.537 -54.842 0.000 0.000 - 93.138 83.739 92.526 -73.193 - 139.709-171.939 119.894 -87.307 - 117.275 -59.491 116.811 -77.431 - 95.689 73.960 0.000 0.000 - 123.815 -80.154 120.491-132.314 - 121.641-161.474 113.417-116.592 - 119.967-111.238 110.520-107.939 - 93.139 82.829 131.816-155.488 - 93.212 0.000 107.242 -77.205 - # 189 total E -8.80260E+01 rmsd from N 0.000 %NC 0.00 0 - 93.887 121.734 146.737 -9.040 - 91.314 84.322 126.215 -18.136 - 91.132 47.284 94.443 -88.869 - 90.447 43.021 151.442 -97.619 - 90.059 45.720 118.323-121.051 - 91.298 52.387 125.768 37.496 - 90.344 42.288 133.147-147.812 - 91.163 56.597 130.412-132.779 - 92.703 178.475 130.513-130.288 - 136.945 -69.357 0.000 0.000 - 108.564 -8.374 0.000 0.000 - 91.715 76.962 100.899 -96.962 - 90.922 -7.710 109.809 -76.553 - 106.660-119.572 110.672 -77.507 - 95.274 142.371 0.000 0.000 - 126.726 -84.553 152.131 -14.342 - 114.583-112.116 91.337 -88.157 - 117.169-141.903 122.451-128.097 - 93.384 72.031 136.123-161.032 - 93.308 0.000 113.416 -77.351 - # 190 total E -8.40697E+01 rmsd from N 0.000 %NC 0.00 0 - 93.930 123.609 144.829 -7.004 - 91.536 89.137 134.605 -16.711 - 90.506 49.519 97.226 -86.515 - 89.834 42.913 150.165 -99.127 - 90.105 45.738 122.274-127.123 - 90.992 51.869 123.027 54.802 - 90.387 42.628 129.941-153.325 - 92.275 65.058 131.252-134.836 - 92.096 -62.052 142.774-139.270 - 114.600-164.713 0.000 0.000 - 94.058 45.291 0.000 0.000 - 90.291 45.440 99.716 -99.565 - 90.913-167.381 111.227 -77.854 - 107.586 158.423 127.403-179.785 - 95.351 83.457 0.000 0.000 - 136.373 -85.253 108.494 -61.467 - 117.204-107.197 108.216-111.067 - 115.580-143.985 116.248-120.049 - 93.713 73.297 132.263-158.339 - 93.306 0.000 113.385 -77.248 - # 191 total E -8.47248E+01 rmsd from N 0.000 %NC 0.00 0 - 94.005 126.485 141.746 -1.692 - 91.447 90.160 135.588 -16.701 - 90.847 48.802 126.295 108.087 - 90.106 42.793 149.403 -92.167 - 90.200 48.608 121.111-127.929 - 90.400 48.503 151.440 38.273 - 90.108 49.012 138.333-129.350 - 90.822 61.357 134.336-134.921 - 91.673-124.751 134.137-110.836 - 94.973 133.425 0.000 0.000 - 133.777 -56.287 0.000 0.000 - 100.877 174.938 97.416 -86.498 - 93.687 100.935 130.689-179.565 - 93.632 -16.319 113.406 -77.464 - 124.258 -38.961 0.000 0.000 - 123.917 -79.734 134.535 73.967 - 118.411-110.347 120.000-126.873 - 118.522-139.619 116.753-118.754 - 93.505 76.491 132.327-156.205 - 93.300 0.000 112.643 -77.360 - # 192 total E -8.70654E+01 rmsd from N 0.000 %NC 0.00 0 - 93.905 114.571 144.286 -11.756 - 91.603 84.628 134.336 -17.101 - 91.691 41.591 147.381 109.429 - 90.833 48.073 140.317 -92.095 - 89.745 44.672 118.613-129.291 - 90.294 46.111 150.060 7.137 - 90.838 52.745 135.185 175.517 - 91.916 58.879 129.309-108.359 - 92.118-102.494 111.724 -80.346 - 94.391 148.807 0.000 0.000 - 137.699 -46.084 0.000 0.000 - 106.844-178.191 92.476 -82.775 - 93.302 112.681 115.411 -76.726 - 120.867 -87.216 114.379 -81.334 - 95.929 85.017 0.000 0.000 - 132.303 -87.397 89.829 -62.702 - 117.792-106.488 120.438-127.466 - 121.048-140.002 107.483-104.914 - 92.774 85.534 101.805-111.196 - 93.291 0.000 108.665 -79.196 - # 193 total E -8.79212E+01 rmsd from N 0.000 %NC 0.00 0 - 93.932 130.108 146.932 -4.958 - 107.487-174.565 138.005 -26.879 - 111.488-167.909 118.722-124.158 - 90.035 53.838 145.397-104.036 - 89.225 42.903 109.154 -92.508 - 90.745 56.775 148.280 -25.855 - 90.110 40.882 137.058-159.989 - 91.519 73.991 99.472 -98.802 - 90.774 -55.787 133.200-137.678 - 109.340 -71.775 0.000 0.000 - 101.510 -26.913 0.000 0.000 - 92.917 101.089 140.676-168.800 - 93.276 106.101 114.841 -78.444 - 121.053 -86.330 133.308-162.111 - 95.894 75.733 0.000 0.000 - 127.149 -78.116 134.507 -88.451 - 118.797-113.327 114.652-119.963 - 123.654-164.970 112.110-110.830 - 93.381 57.098 103.968-104.144 - 93.342 0.000 111.948 -80.153 - # 194 total E -8.43908E+01 rmsd from N 0.000 %NC 0.00 0 - 93.991 114.339 139.794 -7.703 - 91.646 78.530 139.201 -12.687 - 90.265 49.040 109.577 -72.181 - 90.651 37.600 164.860-126.083 - 90.421 46.976 125.045-107.117 - 91.167 45.245 136.859 88.808 - 90.964 45.981 133.166-107.757 - 91.464 45.468 138.475-142.086 - 93.484-165.712 145.637 -23.264 - 93.814 134.934 0.000 0.000 - 133.304 -38.443 0.000 0.000 - 93.730 84.694 99.212-100.512 - 124.303-105.997 121.220 -76.580 - 127.489 -86.802 121.269 -80.003 - 119.398-175.264 0.000 0.000 - 127.209 -88.072 110.634-128.597 - 119.400-112.046 117.307-122.799 - 120.358-137.647 110.104-108.853 - 117.748-118.805 120.825-126.110 - 121.908 0.000 121.597 -81.080 - # 195 total E -8.63792E+01 rmsd from N 0.000 %NC 0.00 0 - 93.723 98.982 151.755 -25.109 - 92.951 129.609 136.729 -32.995 - 132.187 -97.847 95.263 -97.769 - 92.488 61.579 160.918-151.165 - 90.378 43.980 119.891 -51.729 - 90.377 54.945 122.326 43.373 - 89.912 50.582 134.303-138.716 - 90.329 53.934 131.491-134.283 - 91.570 166.267 141.612-125.164 - 95.405 100.310 0.000 0.000 - 132.976 -52.377 0.000 0.000 - 93.687 77.685 132.440-155.835 - 93.978 -55.047 117.001 -75.851 - 131.048-159.551 125.105 -79.569 - 115.816 172.280 0.000 0.000 - 133.306 -75.048 112.571-124.194 - 117.340-103.948 114.353-121.167 - 117.759-145.728 110.373-110.690 - 93.113 61.215 108.223-126.354 - 93.333 0.000 113.281 -78.792 - # 196 total E -8.88714E+01 rmsd from N 0.000 %NC 0.00 0 - 93.809 55.187 146.296 -24.772 - 93.495 177.120 138.178 -50.802 - 111.668 166.363 110.684 -64.711 - 90.162 75.017 124.935-113.996 - 89.492 51.429 104.021-106.620 - 89.732 55.312 123.889 37.407 - 90.288 38.234 143.361-171.988 - 92.218 65.539 129.310-132.683 - 92.033 -65.781 136.619-127.006 - 118.673 -55.476 0.000 0.000 - 119.359 -46.723 0.000 0.000 - 113.273 107.580 133.551-146.502 - 93.068 109.186 115.714 -76.393 - 130.554-101.932 113.771 -83.089 - 95.201 70.871 0.000 0.000 - 127.243 -85.038 113.794-106.642 - 115.924-115.168 88.557 -87.255 - 119.508-143.032 117.819-119.763 - 92.681 71.849 131.943-154.581 - 93.330 0.000 109.509 -80.977 - # 197 total E -8.75237E+01 rmsd from N 0.000 %NC 0.00 0 - 93.937 121.105 143.601 -9.196 - 91.550 88.593 134.566 -15.133 - 91.216 43.449 138.069 109.774 - 90.543 48.800 142.732 -90.197 - 89.804 45.609 122.420-132.569 - 90.052 46.978 143.574 -21.789 - 90.726 45.017 138.939-161.916 - 92.292 62.207 137.284-131.252 - 91.751-104.512 112.112 -77.445 - 94.515 135.985 0.000 0.000 - 125.046 -40.547 0.000 0.000 - 110.277-166.429 86.815 -69.364 - 92.403 80.871 138.622-113.421 - 92.317 -85.355 110.018 -76.907 - 94.633 165.256 0.000 0.000 - 125.920 -69.166 149.257 -33.937 - 117.893-108.086 112.289-115.240 - 119.015-139.128 120.081-123.072 - 93.373 69.555 100.437-105.862 - 93.319 0.000 112.718 -78.294 - # 198 total E -8.55803E+01 rmsd from N 0.000 %NC 0.00 0 - 93.969 108.326 141.411 -2.340 - 92.404 151.626 139.114 -21.930 - 90.252 89.880 99.152 -94.253 - 88.799 45.101 148.222-110.624 - 89.406 47.715 95.577 -59.263 - 90.563 48.085 127.466 63.513 - 90.294 47.855 137.733-111.879 - 90.750 50.975 133.516-136.901 - 92.094 172.613 141.924-126.309 - 94.915 136.356 0.000 0.000 - 125.184 -31.439 0.000 0.000 - 93.936 82.352 97.096 -98.334 - 125.283-104.951 122.273 -75.326 - 129.859 -89.462 122.490 -80.554 - 127.715-172.190 0.000 0.000 - 127.285 -88.415 110.809-109.052 - 118.893-108.400 126.447-137.389 - 113.466-136.516 98.521 -85.916 - 93.051 86.202 104.301-112.916 - 93.271 0.000 109.835 -77.491 - # 199 total E -8.33463E+01 rmsd from N 0.000 %NC 0.00 0 - 93.892 122.435 146.593 -8.774 - 91.301 85.712 128.232 -14.656 - 90.786 46.817 94.124 -86.370 - 90.389 44.385 150.499-100.134 - 90.258 43.762 120.725-125.928 - 91.335 49.363 134.375 29.902 - 90.304 45.271 132.622-144.575 - 92.155 79.759 135.892-133.304 - 91.067 -96.142 140.659-130.780 - 95.760 49.487 0.000 0.000 - 145.863 -72.588 0.000 0.000 - 127.952 165.038 113.462-110.010 - 93.881 87.260 108.287 -74.771 - 139.259-179.346 125.066 -84.257 - 93.886 66.196 0.000 0.000 - 107.576 -66.050 71.850 -73.386 - 115.107-107.469 120.539-128.328 - 119.446-140.505 113.472-113.291 - 93.318 51.461 95.537-100.970 - 93.370 0.000 111.790 -81.424 - # 200 total E -8.80601E+01 rmsd from N 0.000 %NC 0.00 0 - 93.739 111.582 152.847 -19.319 - 93.056 123.646 131.754 -38.419 - 127.474 -95.755 94.494 -91.283 - 91.516 55.068 144.378-114.546 - 89.842 41.917 123.896 -89.878 - 90.079 66.563 117.540 -28.361 - 89.985 43.830 154.443-150.333 - 90.869 74.981 83.819 -77.727 - 91.763 -77.116 138.277-120.542 - 95.834 171.611 0.000 0.000 - 142.218 -53.265 0.000 0.000 - 132.254 157.147 107.496-101.272 - 92.857 104.128 113.608 -76.082 - 127.914 -55.589 119.930 -82.230 - 95.565 82.115 0.000 0.000 - 120.155 -81.154 117.612 -57.419 - 122.416-163.352 116.362-119.533 - 110.317-165.856 136.768-153.956 - 94.195 29.163 90.577 -80.186 - 93.431 0.000 116.281 -80.262 diff --git 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-8.20992E+01 6920820 11 200 0 - 1 0 21769 353.7 104 9 -9.22334E+01 -8.21324E+01 7041984 14 200 0 - 1 0 22169 353.7 104 163 -9.22334E+01 -8.21618E+01 7164127 13 200 0 - 1 0 22569 353.7 104 171 -9.22334E+01 -8.22963E+01 7287075 10 200 0 - 1 0 22969 353.7 104 43 -9.22334E+01 -8.23097E+01 7412165 9 200 0 - 1 0 23369 353.7 104 33 -9.22334E+01 -8.24975E+01 7535024 14 200 0 - 1 0 23769 353.7 104 103 -9.22334E+01 -8.25412E+01 7653254 13 200 0 - 1 0 24169 353.7 104 103 -9.22334E+01 -8.25412E+01 7780637 14 200 0 - 1 0 24569 353.7 104 145 -9.22334E+01 -8.27047E+01 7904852 14 200 0 - 1 0 24969 353.7 104 108 -9.22334E+01 -8.27161E+01 8029197 12 200 0 - 1 0 25369 353.7 104 108 -9.22334E+01 -8.27163E+01 8150066 6 200 0 - 1 0 25769 353.7 104 60 -9.22334E+01 -8.27458E+01 8268855 8 200 0 - 1 0 26169 353.7 104 60 -9.22334E+01 -8.27458E+01 8388681 7 200 0 - 1 0 26569 353.7 104 60 -9.22334E+01 -8.27458E+01 8503963 6 200 0 - 1 0 26969 353.7 104 13 -9.22334E+01 -8.27731E+01 8617646 10 200 0 - 1 0 27369 353.7 104 13 -9.22628E+01 -8.27731E+01 8736944 6 200 0 - 1 0 27769 353.7 104 177 -9.23023E+01 -8.27875E+01 8861000 7 200 0 - 1 0 28169 353.7 104 177 -9.23025E+01 -8.27875E+01 8977941 6 200 0 - 1 0 28569 353.7 104 64 -9.23025E+01 -8.28110E+01 9102920 6 200 0 - 1 0 28969 353.7 104 108 -9.23025E+01 -8.28341E+01 9224936 7 200 0 - 1 0 29369 353.7 104 189 -9.23025E+01 -8.29029E+01 9347145 7 200 0 - 1 0 29769 353.7 104 100 -9.25427E+01 -8.29311E+01 9463062 11 200 0 - 1 0 30169 353.7 104 91 -9.25428E+01 -8.29451E+01 9589767 4 200 0 - 1 0 30569 353.7 104 91 -9.25428E+01 -8.29451E+01 9712633 8 200 0 - 1 0 30969 353.7 104 91 -9.25428E+01 -8.29451E+01 9833802 5 200 0 - 1 0 31369 353.7 104 166 -9.25428E+01 -8.29738E+01 9946075 6 200 0 - 1 0 31769 353.7 104 166 -9.25428E+01 -8.29738E+01 10071557 7 200 0 - 1 1 32169 353.7 104 166 -9.25428E+01 -8.29738E+01 10188432 2 200 0 - 1 1 32569 353.7 104 166 -9.25428E+01 -8.29738E+01 10305611 200 200 0 - 1 1 32969 353.7 104 19 -9.25428E+01 -8.29793E+01 10424200 181 200 0 - 1 1 33369 353.7 104 89 -9.25428E+01 -8.30464E+01 10544875 162 200 0 - 1 1 33769 353.7 104 89 -9.25428E+01 -8.30464E+01 10662909 147 200 0 - 1 1 34169 353.7 104 89 -9.25428E+01 -8.30464E+01 10788323 131 200 0 - 1 1 34569 353.7 104 89 -9.25428E+01 -8.30464E+01 10914799 115 200 0 - 1 1 34969 353.7 104 155 -9.25428E+01 -8.30895E+01 11035663 105 200 0 - 1 1 35369 353.7 104 155 -9.25428E+01 -8.30895E+01 11157892 89 200 0 - 1 1 35769 353.7 104 155 -9.25428E+01 -8.30895E+01 11279062 72 200 0 - 1 1 36169 353.7 104 151 -9.25428E+01 -8.31840E+01 11402379 55 200 0 - 1 1 36569 353.7 104 120 -9.25428E+01 -8.32543E+01 11517623 42 200 0 - 1 1 36969 353.7 104 6 -9.25429E+01 -8.32861E+01 11630942 28 200 0 - 1 1 37369 353.7 104 6 -9.25429E+01 -8.32861E+01 11752669 15 200 0 - 1 1 37769 353.7 104 6 -9.25429E+01 -8.32861E+01 11874377 5 200 0 - 1 1 38169 353.7 104 6 -9.25429E+01 -8.32861E+01 11998936 3 200 0 - 1 1 38569 353.7 104 6 -9.25429E+01 -8.32861E+01 12117279 3 200 0 - 1 1 38969 353.7 104 164 -9.25429E+01 -8.32884E+01 12240328 6 200 0 - 1 1 39369 353.7 104 170 -9.25429E+01 -8.32983E+01 12366488 3 200 0 - 1 1 39769 353.7 104 170 -9.25429E+01 -8.32983E+01 12486311 4 200 0 - 1 2 40169 353.7 104 170 -9.25429E+01 -8.32983E+01 12605453 2 200 0 - 1 2 40600 353.7 104 151 -9.25429E+01 -8.33415E+01 12736259 2 200 0 -jlee = 1: 0.0 0.0 0.0 0.0 E = -92.54286 40600 12736259 - diff --git a/examples/unres/CSA/GAB/CSA/1l2y_csa.CSA.rbank b/examples/unres/CSA/GAB/CSA/1l2y_csa.CSA.rbank deleted file mode 100644 index e71bed1..0000000 --- a/examples/unres/CSA/GAB/CSA/1l2y_csa.CSA.rbank +++ /dev/null @@ -1,4201 +0,0 @@ - jlee = 1 nbank = 200 nstep = 200 102409 0 1768.73465 - # 1 total E -6.92484E+01 rmsd from N 0.000 %NC 0.00 - 118.354-162.358 145.304 -13.888 - 114.157-101.348 146.200 -34.371 - 91.721 71.868 175.514-169.866 - 90.165 37.738 145.060-110.614 - 90.732 54.522 102.732-103.432 - 92.227 71.948 136.645 47.304 - 91.078 102.903 140.716-142.029 - 93.075 -67.906 108.039-121.036 - 117.292 -66.933 150.842 -18.999 - 128.199-168.095 0.000 0.000 - 124.639 -43.646 0.000 0.000 - 93.484 82.175 131.765-155.109 - 128.760-101.204 119.932 -79.944 - 122.685 -79.787 120.347 -79.433 - 118.974-174.983 0.000 0.000 - 129.284 -82.703 109.832-125.859 - 117.132-109.107 122.625-131.520 - 121.780-147.643 111.208-110.021 - 108.416 3.018 95.718 -80.016 - 93.346 0.000 113.414 -78.701 - # 2 total E -6.72687E+01 rmsd from N 0.000 %NC 0.00 - 118.874-146.725 108.740 -79.158 - 115.193 174.001 160.980 -15.044 - 132.775 -77.384 154.796-145.909 - 92.080 62.248 172.053 173.131 - 90.305 39.362 123.209 -80.421 - 90.937 61.112 100.825-124.330 - 90.643 69.964 151.758-129.692 - 91.252 149.264 126.644-132.637 - 92.447 -64.658 144.766-139.896 - 95.207 41.641 0.000 0.000 - 126.881 -93.820 0.000 0.000 - 93.219 64.808 100.847-101.436 - 128.799 159.528 150.332-126.346 - 99.771 -66.494 116.550 -75.723 - 95.412 65.246 0.000 0.000 - 131.105 -82.250 151.278 -35.422 - 122.787-145.336 111.292-110.688 - 105.413 132.246 120.836-131.721 - 121.677 64.148 118.767-122.667 - 93.317 0.000 115.190 -77.680 - # 3 total E -6.21341E+01 rmsd from N 0.000 %NC 0.00 - 93.601 44.833 143.230-128.549 - 92.919 110.664 155.761-154.586 - 130.319 -97.285 144.756 -9.966 - 118.056-154.791 130.473 -73.641 - 91.668 71.035 118.408-123.720 - 97.327 156.625 101.649-139.625 - 91.908 79.291 148.356-104.736 - 92.059 84.415 121.640-140.442 - 92.373 -86.419 107.739 -86.064 - 95.008 115.732 0.000 0.000 - 138.261 -33.807 0.000 0.000 - 120.745-145.570 108.996-108.418 - 125.801 176.473 121.502 -80.309 - 110.866 -46.250 137.945-102.767 - 108.866 -11.127 0.000 0.000 - 119.455 -88.367 99.438 -58.463 - 118.026-112.490 122.811-130.656 - 119.599-116.256 103.586-100.327 - 109.451 115.218 128.050-142.112 - 93.450 0.000 111.361 -80.164 - # 4 total E -6.14904E+01 rmsd from N 0.000 %NC 0.00 - 93.782 36.667 145.679 -30.684 - 92.629 159.351 139.145 -51.442 - 125.033 163.229 134.408-123.685 - 122.530 179.950 176.442-162.702 - 90.975 71.666 149.340 169.707 - 88.661 164.615 141.900 16.597 - 91.670 64.652 136.738-164.636 - 91.480 75.633 111.180-116.078 - 92.672 -71.784 98.684 -81.321 - 95.297 174.495 0.000 0.000 - 139.430 -40.197 0.000 0.000 - 111.366 175.995 125.302-133.213 - 93.254 92.706 133.440-119.837 - 93.801-104.377 110.933 -79.629 - 95.047 158.505 0.000 0.000 - 128.317-119.570 135.872 -22.511 - 118.799 121.054 120.764-128.457 - 92.407 49.579 105.138-104.526 - 92.785 86.691 103.362-111.087 - 93.419 0.000 128.043-124.416 - # 5 total E -6.13242E+01 rmsd from N 0.000 %NC 0.00 - 117.492-112.959 153.876-151.778 - 123.740 -94.504 154.406-109.448 - 121.895-168.224 157.774 10.208 - 93.564 95.757 146.041 -92.009 - 90.883 -56.556 101.936 -51.995 - 94.375 107.342 166.489 157.670 - 92.943-109.621 138.220 -36.550 - 125.497 169.373 162.178 -86.043 - 117.161 167.106 144.037-141.177 - 134.693 -87.489 0.000 0.000 - 94.447 30.192 0.000 0.000 - 92.475 54.862 131.888-155.749 - 92.069 -65.852 121.659 -33.450 - 126.138 -62.630 119.063 -77.074 - 130.077 73.365 0.000 0.000 - 129.474 -89.464 111.890-126.791 - 118.776-110.774 114.708-119.748 - 118.027-138.970 140.726-154.671 - 119.837-116.722 111.924-110.826 - 121.012 0.000 149.529 -87.515 - # 6 total E -6.10313E+01 rmsd from N 0.000 %NC 0.00 - 118.522-158.559 106.506 -77.991 - 121.009 169.160 176.453-159.601 - 90.959 82.718 106.065-120.498 - 92.095 98.651 129.203 -90.329 - 90.927 39.721 91.630 -69.818 - 92.841 49.483 94.467 -72.923 - 93.446 -91.377 143.023 -96.331 - 118.233 -94.212 124.223-131.300 - 134.151 47.382 154.026 -9.539 - 97.354 106.003 0.000 0.000 - 139.484 -67.662 0.000 0.000 - 94.575 70.822 99.216 -95.566 - 93.090 119.939 148.199-105.192 - 95.557 5.117 113.499 -79.616 - 98.461 81.813 0.000 0.000 - 133.108 -97.487 113.997-130.507 - 120.288-168.991 115.262-119.564 - 128.885-157.171 112.775-106.891 - 110.769 129.409 129.884-143.217 - 93.609 0.000 114.029 -80.207 - # 7 total E -6.03899E+01 rmsd from N 0.000 %NC 0.00 - 115.941 -68.165 147.712 -33.546 - 92.444 88.276 151.309 -28.267 - 92.379 109.112 113.347-129.487 - 115.811 -95.210 126.210-119.282 - 119.319 160.935 157.829 101.773 - 111.905 165.197 88.388-134.979 - 118.429-175.511 171.911 -4.366 - 125.855 -73.288 123.615 136.300 - 93.630 44.025 148.506 -23.260 - 122.934 -57.049 0.000 0.000 - 128.280 -57.627 0.000 0.000 - 115.998-179.575 137.157-150.210 - 94.059 90.532 114.287 -77.035 - 113.570-100.742 111.500 -80.122 - 95.084 50.614 0.000 0.000 - 127.718 -97.688 100.793 -67.058 - 118.141-168.363 112.338-116.431 - 119.518-168.089 127.553-133.596 - 93.697 109.424 101.826 -94.669 - 118.948 0.000 116.936 -82.251 - # 8 total E -6.00680E+01 rmsd from N 0.000 %NC 0.00 - 93.828 100.990 148.549 -13.955 - 91.664 81.336 140.160 -32.715 - 90.849 52.587 131.676 -99.965 - 90.661 56.155 139.320 -96.403 - 90.743 87.594 109.934 -35.184 - 107.086 -47.520 147.330-133.402 - 91.353 83.037 154.145 -21.416 - 90.822 28.066 107.712-131.152 - 93.243 168.393 138.675-129.584 - 124.351 171.996 0.000 0.000 - 132.431 -62.581 0.000 0.000 - 116.630 -80.680 109.311-110.048 - 90.200 76.761 114.441 -76.239 - 93.234 26.227 110.541 -78.253 - 96.522 169.899 0.000 0.000 - 125.190-106.133 114.569 -43.904 - 121.455-165.855 135.807-146.269 - 106.603-139.564 98.876 -88.847 - 119.704-104.122 122.540-128.306 - 119.673 0.000 137.769-114.234 - # 9 total E -6.00184E+01 rmsd from N 0.000 %NC 0.00 - 93.612 17.118 144.230-131.822 - 114.659 175.658 148.665 -27.024 - 114.370 170.552 111.841 -73.595 - 92.367 62.947 137.939-113.895 - 90.729 36.961 107.539 -39.763 - 93.061 70.853 151.487 109.938 - 92.104 -77.630 144.635 -52.787 - 123.380 171.472 132.339-132.954 - 117.069 -72.596 150.808 -20.957 - 95.537 63.485 0.000 0.000 - 132.720 -55.386 0.000 0.000 - 126.206 173.166 98.438 -89.800 - 129.396 165.055 150.592-114.429 - 108.771 -81.292 110.262 -79.515 - 94.407 61.322 0.000 0.000 - 123.778 -77.005 110.350 -81.861 - 119.100 134.705 114.577-120.169 - 91.976 48.017 99.137-106.238 - 92.452 104.963 100.038-104.170 - 121.220 0.000 120.859 -84.589 - # 10 total E -5.90693E+01 rmsd from N 0.000 %NC 0.00 - 93.680 15.849 108.379 -79.883 - 115.710 176.369 154.089 -17.158 - 111.781 110.654 171.808-178.270 - 124.009-104.414 115.039 -69.503 - 90.711 67.692 131.830-176.565 - 92.281 83.423 139.895 1.183 - 92.058 -67.646 112.040 -83.543 - 111.090-168.227 125.372-136.039 - 123.404-176.734 152.723 -14.268 - 126.001-165.978 0.000 0.000 - 107.710 -2.962 0.000 0.000 - 92.672 97.748 101.589 -99.076 - 93.635 -77.756 113.852 -75.050 - 95.889 73.075 115.529 -76.415 - 137.878-150.467 0.000 0.000 - 131.255 -82.981 130.082 143.289 - 118.619-108.201 119.613-127.502 - 118.109-119.159 114.092-113.947 - 93.747 91.644 99.193-102.912 - 116.982 0.000 113.099 -80.809 - # 11 total E -5.89864E+01 rmsd from N 0.000 %NC 0.00 - 116.618-139.378 152.367-149.145 - 117.425 173.705 162.987 -18.081 - 95.390 83.702 173.989 179.222 - 108.211 178.785 133.322 -75.717 - 119.707-178.743 134.717 144.402 - 128.674 171.431 99.437-129.923 - 92.430 90.719 144.470 -41.317 - 126.994-104.710 126.614-137.869 - 122.721-177.232 150.471 -18.383 - 136.541 -73.183 0.000 0.000 - 128.584 -46.210 0.000 0.000 - 110.502 178.220 130.701-144.203 - 129.940 176.278 160.390-108.314 - 94.110 28.254 115.788 -76.348 - 126.160 -19.378 0.000 0.000 - 119.793 -77.186 148.698 -24.680 - 115.873-111.559 90.133 -87.590 - 116.196-147.492 113.450-116.000 - 115.898-112.405 137.393-154.255 - 94.626 0.000 116.308 -77.329 - # 12 total E -5.86180E+01 rmsd from N 0.000 %NC 0.00 - 116.797-140.085 152.573-149.765 - 117.822 176.435 159.417 -17.089 - 92.608 77.075 120.339 -52.204 - 92.493 99.350 142.060 -88.127 - 90.511 -76.986 115.549-107.726 - 93.567 146.992 126.926 -30.238 - 92.059 103.598 148.554-117.881 - 114.588 -92.377 118.048-136.038 - 120.716 178.187 150.317 -18.048 - 131.278-172.086 0.000 0.000 - 93.250 36.695 0.000 0.000 - 94.187 168.944 130.955-153.374 - 132.890 164.354 127.359 -82.481 - 118.953-100.638 120.005 -78.984 - 120.043 176.323 0.000 0.000 - 129.781-107.992 105.614 -59.249 - 117.657-167.321 114.202-118.984 - 121.522-111.784 119.951-121.078 - 119.120-116.639 118.587-121.114 - 120.783 0.000 146.770-111.262 - # 13 total E -5.85817E+01 rmsd from N 0.000 %NC 0.00 - 119.411 -95.326 107.979 -75.586 - 124.581 -97.844 176.439-155.701 - 132.313 -70.677 96.541 -99.130 - 93.562 59.968 164.023-140.409 - 91.189 79.549 103.999 -41.605 - 108.702 -35.538 92.408 -84.353 - 93.378 95.692 146.162 -38.618 - 115.972-157.576 159.800-151.292 - 133.906 -66.662 105.831 -80.378 - 96.338 69.946 0.000 0.000 - 92.755 38.308 0.000 0.000 - 91.498-179.279 95.837-103.005 - 136.981 122.758 125.835 -84.032 - 116.653-112.882 119.470 -77.338 - 124.531 174.295 0.000 0.000 - 131.872 -82.000 139.010-159.064 - 117.643-106.960 116.438-123.483 - 118.816-140.590 109.923-109.256 - 115.584 5.758 129.896-140.573 - 93.361 0.000 115.608 -77.142 - # 14 total E -5.82315E+01 rmsd from N 0.000 %NC 0.00 - 119.629-115.223 109.493 -78.497 - 117.294-179.025 154.571 -17.051 - 117.347 157.870 176.430 171.912 - 91.129 42.426 146.228-116.163 - 90.517 48.177 92.634 -57.759 - 91.639 54.263 140.143 93.144 - 91.179 63.076 135.852-129.039 - 94.314 -92.722 131.350-128.395 - 123.261 166.678 111.069 -79.439 - 135.333 -74.184 0.000 0.000 - 119.891 -42.073 0.000 0.000 - 111.067 172.209 129.532-141.265 - 93.983 94.069 118.891 -76.656 - 120.815 171.140 119.557 -80.425 - 120.909 71.247 0.000 0.000 - 127.628 -80.540 142.074-174.011 - 118.587-109.656 116.712-122.888 - 119.290-139.976 111.285-111.131 - 115.991 5.978 128.903-138.393 - 93.374 0.000 115.585 -77.055 - # 15 total E -5.78833E+01 rmsd from N 0.000 %NC 0.00 - 93.601 103.858 143.733-133.175 - 117.865-172.251 154.476 -9.211 - 135.076 -56.008 166.545 146.734 - 91.735 78.584 135.430-105.943 - 90.553 -4.389 85.808 -70.446 - 110.045-132.681 175.797 141.380 - 119.794-166.621 120.234 65.109 - 131.808 177.134 110.139 -74.109 - 120.755 -65.390 109.984 -82.047 - 126.484-164.268 0.000 0.000 - 111.744 -30.247 0.000 0.000 - 95.148 -53.498 95.850 -91.798 - 92.456 86.076 114.221 -76.158 - 127.168-116.028 120.013 -81.593 - 125.443 173.771 0.000 0.000 - 126.245-115.738 115.810 -43.965 - 117.625-110.736 118.805-124.771 - 118.473-137.795 114.854-116.188 - 118.315-124.075 121.950-125.421 - 120.878 0.000 148.271-130.319 - # 16 total E -5.77295E+01 rmsd from N 0.000 %NC 0.00 - 118.449-170.216 142.461 -14.700 - 117.090-114.378 131.935 -62.795 - 91.406 61.484 98.442 -81.802 - 91.083 34.754 163.980-133.812 - 90.544 53.798 104.127 -61.641 - 92.352 87.510 129.853 91.094 - 91.624 -37.687 147.056-156.815 - 116.734-178.393 119.556-120.173 - 116.181 177.440 150.772-143.351 - 141.429 -70.316 0.000 0.000 - 94.887 10.075 0.000 0.000 - 103.594-146.242 130.810-148.270 - 136.159-166.872 166.073 -83.905 - 116.503-165.684 145.204 -68.731 - 134.654-177.756 0.000 0.000 - 125.751 -82.107 100.761 -66.710 - 117.116 136.396 118.287-125.568 - 121.875-169.037 107.636-104.525 - 119.281-120.647 121.540-126.848 - 120.603 0.000 144.029-134.118 - # 17 total E -5.76912E+01 rmsd from N 0.000 %NC 0.00 - 93.770 19.616 148.741 -27.456 - 122.826-179.135 164.045-153.888 - 117.242 175.545 158.792 1.970 - 128.409-178.732 163.537 -84.657 - 107.376-179.821 129.861 -2.673 - 129.153 177.862 164.413 147.996 - 108.782 -70.213 163.168-154.742 - 92.495 84.320 133.712-128.596 - 93.828 29.938 141.776-123.754 - 128.964-157.929 0.000 0.000 - 123.993 -35.144 0.000 0.000 - 118.986 172.157 114.881-116.020 - 122.252-178.747 119.879 -81.830 - 126.816 178.847 123.479 -78.971 - 120.886 175.558 0.000 0.000 - 130.873 -87.922 133.067-151.493 - 120.501-161.759 117.021-122.488 - 121.385-112.757 110.717-108.145 - 117.484-118.749 125.717-133.328 - 121.845 0.000 121.581 -80.873 - # 18 total E -5.73437E+01 rmsd from N 0.000 %NC 0.00 - 93.826 112.186 146.070 -22.580 - 109.037 177.938 158.245 -22.314 - 93.544 80.607 174.239 173.499 - 92.789 53.411 142.128 -98.845 - 91.409 -96.965 109.053 -84.552 - 109.488 172.742 126.388 -36.029 - 92.206 87.698 139.148-133.137 - 93.597-175.178 113.414-128.388 - 118.441-172.774 154.024-147.895 - 130.025 -64.078 0.000 0.000 - 101.761 -29.689 0.000 0.000 - 92.552 90.933 101.500-100.033 - 138.621-121.122 115.223 -82.486 - 120.705 -68.186 116.644 -78.058 - 120.168 -17.529 0.000 0.000 - 112.773 -67.208 144.223 -39.070 - 118.406-156.044 111.313-114.268 - 119.288-168.105 122.701-127.615 - 107.568 -11.776 98.856 -88.100 - 118.957 0.000 119.787 -80.132 - # 19 total E -5.71579E+01 rmsd from N 0.000 %NC 0.00 - 119.889 -97.959 162.565-159.593 - 121.142 177.275 157.345-104.486 - 91.657 84.497 121.138 -43.046 - 93.775 10.086 120.355 -86.350 - 92.724 -99.486 91.090 -63.535 - 109.340 163.659 138.349 131.366 - 91.275 68.751 147.085 -34.393 - 91.757 153.645 118.727-134.063 - 116.687-177.158 144.259-171.493 - 138.605 -68.450 0.000 0.000 - 107.505 -9.933 0.000 0.000 - 92.938 105.891 101.628-100.957 - 115.224-175.460 130.356-112.907 - 125.713-168.732 121.852 -80.185 - 135.799-173.232 0.000 0.000 - 124.419 -77.705 108.388 -66.018 - 114.748 136.802 121.856-132.695 - 118.272-110.886 117.673-121.676 - 114.509-119.843 96.684 -87.741 - 121.721 0.000 121.673 -80.723 - # 20 total E -5.69130E+01 rmsd from N 0.000 %NC 0.00 - 119.954-106.927 105.461 -73.078 - 119.148 -84.812 167.607-162.962 - 125.446-170.259 109.714 -70.867 - 116.513 179.704 165.778-176.033 - 116.518 -69.875 140.292 -94.689 - 93.482 143.200 126.121 -17.286 - 109.917-120.646 122.843-119.610 - 92.824 71.882 129.363-151.489 - 93.140 169.806 141.263-103.157 - 95.677 85.436 0.000 0.000 - 120.964 -55.776 0.000 0.000 - 92.625 74.550 101.286-100.980 - 92.220 132.174 131.793-120.253 - 114.588 -74.220 121.300-164.132 - 94.385 65.566 0.000 0.000 - 125.358 -81.834 76.101 -86.913 - 120.563-160.743 116.634-122.377 - 92.960 117.897 113.574-118.721 - 93.105 48.938 93.628 -98.361 - 93.276 0.000 110.551 -78.766 - # 21 total E -5.67653E+01 rmsd from N 0.000 %NC 0.00 - 93.819 107.927 145.989 -25.617 - 115.505 174.487 156.374 -17.405 - 112.541 110.155 173.051 178.107 - 123.168-105.016 110.871 -76.903 - 90.771 69.603 128.208-151.213 - 91.363 98.512 139.404 -21.815 - 90.754 111.661 126.189 -93.682 - 91.361 -42.953 116.224-141.101 - 94.098 82.905 142.882-106.908 - 143.050 -82.484 0.000 0.000 - 153.509 -40.275 0.000 0.000 - 109.645 -60.961 95.393 -90.768 - 94.265 86.455 114.686 -76.281 - 126.386 -87.567 118.768 -80.180 - 126.652 -17.860 0.000 0.000 - 116.422-109.344 108.300 -50.147 - 116.776 132.398 130.999-147.621 - 106.935-111.743 98.150 -81.920 - 106.401 113.224 130.963-148.162 - 93.472 0.000 112.328 -80.419 - # 22 total E -5.65711E+01 rmsd from N 0.000 %NC 0.00 - 93.582 104.350 142.883-130.633 - 121.760 178.083 166.332-136.458 - 111.688 166.792 160.004 4.582 - 111.449 166.911 128.844-126.631 - 92.036 97.392 145.178-139.407 - 120.076 -70.409 84.282 -84.172 - 104.085-164.017 153.510-168.293 - 136.221-177.685 135.611-127.888 - 125.724 -42.806 166.923-162.592 - 132.977 91.952 0.000 0.000 - 98.254 -31.452 0.000 0.000 - 90.584 -50.312 96.159 -91.573 - 91.131 90.722 110.752 -75.822 - 136.507-175.311 113.144 -81.361 - 94.021 70.714 0.000 0.000 - 109.600 -86.013 119.484 -79.927 - 103.700 126.419 99.769-122.697 - 93.439-173.103 108.963-114.030 - 118.089-127.386 129.875-142.458 - 123.535 0.000 122.833 -83.222 - # 23 total E -5.63652E+01 rmsd from N 0.000 %NC 0.00 - 93.619 19.908 143.954-126.992 - 118.979-176.443 158.627-152.919 - 123.413-157.594 150.777 20.859 - 127.250 -49.382 164.583-150.390 - 91.658 89.518 111.906-108.006 - 91.420 116.941 104.419-139.579 - 90.152 52.711 134.374-113.875 - 90.469 85.425 109.664-126.481 - 91.005 -63.190 107.122 -86.249 - 96.430 173.729 0.000 0.000 - 92.504 45.388 0.000 0.000 - 91.124 59.006 97.222 -97.916 - 92.337 -64.787 113.001 -76.953 - 125.342 -62.886 148.975 -65.482 - 127.849 -20.181 0.000 0.000 - 128.537 -84.354 135.607-145.701 - 118.322-109.192 120.505-129.504 - 119.321-137.924 110.165-109.244 - 117.220-113.609 127.115-135.268 - 94.648 0.000 116.537 -77.646 - # 24 total E -5.63649E+01 rmsd from N 0.000 %NC 0.00 - 116.011-145.120 150.312-148.728 - 123.206 176.481 164.867 170.110 - 91.886 71.707 169.457 -2.020 - 92.295 94.837 114.135 -90.088 - 90.667 -8.804 98.878-107.034 - 105.009 -96.203 173.374 177.544 - 106.718-173.607 152.204 -22.291 - 137.078-172.820 141.863-162.297 - 119.235 179.871 107.196 -73.144 - 137.185 -63.725 0.000 0.000 - 98.119 -18.883 0.000 0.000 - 96.624 163.032 131.141-152.370 - 131.482-177.122 126.039 -79.800 - 116.071 177.139 120.867 -76.680 - 127.301 174.363 0.000 0.000 - 129.420 -92.779 128.508-148.013 - 122.296-166.818 112.744-115.921 - 92.949 116.250 107.876-114.176 - 92.869 125.129 108.491-122.462 - 120.760 0.000 119.935 -83.316 - # 25 total E -5.51394E+01 rmsd from N 0.000 %NC 0.00 - 116.793 162.200 140.811 -14.869 - 92.332 90.691 138.809 -41.684 - 135.312 -83.108 148.333 113.766 - 93.804 79.479 149.350-103.947 - 92.098 150.373 120.166-105.443 - 118.300 162.866 160.378 178.141 - 92.840 105.264 152.505 -87.375 - 131.219 -91.698 141.516-139.939 - 120.109-171.711 159.269-139.234 - 130.879 178.524 0.000 0.000 - 106.556 -15.619 0.000 0.000 - 98.148-177.093 101.116 -97.450 - 130.673-173.113 149.244-128.671 - 118.308-174.576 143.269 -45.417 - 129.644-179.336 0.000 0.000 - 127.537 -80.248 135.050-163.084 - 119.115-111.028 110.433-112.305 - 117.105-138.014 128.129-136.947 - 113.281-107.844 97.764 -85.569 - 94.532 0.000 116.241 -76.928 - # 26 total E -5.50478E+01 rmsd from N 0.000 %NC 0.00 - 119.408-129.949 109.536 -78.920 - 117.624-179.010 150.062 -16.756 - 132.955-110.608 161.213 162.353 - 93.767 88.428 132.530-108.447 - 90.924 -85.936 105.612-102.577 - 93.863 146.667 127.408 -32.839 - 91.468 92.633 142.993 -81.299 - 112.000 -99.110 110.078-128.947 - 118.374 119.943 109.754 -82.102 - 129.210 21.432 0.000 0.000 - 93.525 44.362 0.000 0.000 - 91.891 50.219 94.100 -99.064 - 94.177 -70.186 110.585 -77.368 - 129.664-174.179 151.158 -52.445 - 125.374 174.751 0.000 0.000 - 129.534 -84.441 139.521-168.003 - 121.167-163.521 113.258-116.132 - 120.328-140.584 117.393-118.601 - 113.014-118.211 98.938 -92.741 - 121.507 0.000 121.306 -80.328 - # 27 total E -5.50042E+01 rmsd from N 0.000 %NC 0.00 - 93.804 15.278 145.744 -28.109 - 114.018 175.181 162.599 -21.179 - 114.384 155.480 172.225 11.139 - 108.305 157.726 139.284-106.675 - 91.136 79.490 139.960-165.572 - 91.529 41.351 88.891 -83.410 - 91.837 66.421 137.253 -90.868 - 95.400 -64.440 129.056 145.037 - 117.488-164.771 158.533-150.606 - 136.182 -60.302 0.000 0.000 - 111.642 -32.025 0.000 0.000 - 95.800 -50.064 95.706 -95.250 - 92.280 92.779 114.226 -76.110 - 128.012-107.826 118.158 -82.281 - 126.435-178.238 0.000 0.000 - 127.069 -80.193 136.042-169.866 - 120.205-162.206 114.040-116.849 - 102.511-170.530 103.236-100.507 - 116.899 -11.070 129.287-141.893 - 118.177 0.000 144.000-101.964 - # 28 total E -5.49672E+01 rmsd from N 0.000 %NC 0.00 - 117.305 168.527 142.613 -9.438 - 90.920 85.896 131.761 18.175 - 93.099 36.567 175.482-176.321 - 93.057 66.059 137.374-103.247 - 91.793 -71.656 127.360-157.694 - 130.581-177.165 134.671 -39.694 - 120.147-160.234 175.691-157.973 - 126.345 -90.871 123.453-119.039 - 122.103-175.140 152.584 -14.184 - 138.497 -70.481 0.000 0.000 - 110.771 -11.659 0.000 0.000 - 93.372 104.140 101.429 -99.875 - 121.137-110.675 116.529 -81.761 - 134.171 -91.705 153.119 -59.841 - 129.444-118.589 0.000 0.000 - 130.041 -81.531 123.557 -48.916 - 113.763-142.213 100.344 -85.000 - 112.268 136.069 119.294-126.912 - 106.265 -29.650 99.173-101.391 - 118.802 0.000 144.876-105.124 - # 29 total E -5.48290E+01 rmsd from N 0.000 %NC 0.00 - 119.728-161.225 139.150 -12.808 - 119.492-104.869 142.233 -85.489 - 94.339 113.525 136.512-111.123 - 123.778 -97.247 166.219-116.706 - 113.571 139.397 134.613 106.769 - 131.228-103.204 93.063-122.215 - 109.227 120.679 149.728-126.566 - 121.877 -96.432 129.488-135.790 - 113.669 8.498 149.941 -19.770 - 96.391 92.174 0.000 0.000 - 116.624 -46.784 0.000 0.000 - 92.876 72.413 132.192-153.576 - 93.530 114.363 118.126 -80.484 - 90.478 -38.148 118.141 -78.082 - 97.096 -67.866 0.000 0.000 - 103.522-169.586 113.515 -22.445 - 121.050-113.218 116.999-121.930 - 118.562-147.985 114.359-115.354 - 115.040-111.752 138.779-155.637 - 94.649 0.000 116.381 -77.303 - # 30 total E -5.47545E+01 rmsd from N 0.000 %NC 0.00 - 118.472 -72.310 104.837 -71.763 - 110.384 -87.531 127.155 -65.671 - 110.749-174.320 119.431 -69.530 - 123.470-170.070 140.685 -97.821 - 103.415 178.583 139.516-131.819 - 131.057-172.312 163.973 178.714 - 115.667-179.102 168.870-144.654 - 127.786-172.722 149.357 160.896 - 121.209 -64.701 150.185 -20.452 - 95.911 67.337 0.000 0.000 - 93.883 34.719 0.000 0.000 - 98.384 169.905 126.960-144.136 - 116.365 172.139 119.872 -79.798 - 131.741-176.873 126.553 -79.173 - 94.693 65.345 0.000 0.000 - 113.909 -74.210 110.522 -59.097 - 115.710-110.706 121.675-131.467 - 113.571-145.583 100.911 -90.458 - 117.029-120.858 128.616-138.817 - 94.775 0.000 117.514 -78.160 - # 31 total E -5.46121E+01 rmsd from N 0.000 %NC 0.00 - 93.708 19.632 106.128 -80.813 - 93.372 153.817 135.641 -29.189 - 105.360 167.381 125.048-121.474 - 126.892 -55.645 166.685-134.950 - 91.856 117.150 124.206-124.818 - 117.648 -73.798 82.379 -83.524 - 109.501-168.402 151.564-165.931 - 135.364-177.181 138.035-123.697 - 92.475 -32.256 106.565 -80.329 - 109.470 -82.709 0.000 0.000 - 128.473 -52.744 0.000 0.000 - 121.665 178.023 118.677-120.165 - 93.949 87.466 114.182 -77.257 - 117.757-115.783 117.081 -79.015 - 95.817 76.912 0.000 0.000 - 136.021 -82.418 133.871 -54.849 - 120.320-161.474 117.817-123.270 - 92.681 50.223 99.159 -95.019 - 92.916 121.357 132.948-158.831 - 119.542 0.000 118.960 -81.485 - # 32 total E -5.42310E+01 rmsd from N 0.000 %NC 0.00 - 93.826 116.318 146.384 -24.540 - 118.384-176.765 151.759 -15.934 - 118.778-179.829 169.767 169.138 - 123.453-168.132 172.250 178.499 - 120.285-160.809 113.947 -47.324 - 124.727-112.944 126.611 131.232 - 124.376-179.052 152.453-138.026 - 112.704 176.262 112.181-122.901 - 128.009-178.226 116.290 -78.722 - 123.184 8.853 0.000 0.000 - 119.789 -43.038 0.000 0.000 - 110.507 110.871 130.214-143.573 - 132.346-100.646 151.945 -79.956 - 129.275-161.203 122.640 -80.610 - 136.156-106.218 0.000 0.000 - 127.340 -86.755 113.436-121.584 - 118.668-107.930 118.353-125.092 - 118.563-137.846 111.140-111.465 - 118.342-117.828 118.823-123.321 - 121.157 0.000 121.935 -79.568 - # 33 total E -5.40913E+01 rmsd from N 0.000 %NC 0.00 - 119.117-135.064 110.907 -81.132 - 117.225 172.867 144.894 -26.050 - 114.572 154.316 136.403-122.848 - 125.208-129.764 161.184-103.582 - 91.334 118.340 129.862-131.374 - 93.096 63.543 122.215 30.247 - 91.200 36.443 152.064-143.518 - 92.754 74.745 126.839-136.728 - 94.033 15.942 145.496 -32.588 - 135.967 -77.745 0.000 0.000 - 109.502 -22.756 0.000 0.000 - 105.898-174.448 130.062-145.892 - 123.075-175.084 141.338 -50.079 - 94.011 124.090 115.579 -76.242 - 134.129 -69.044 0.000 0.000 - 93.221 83.302 115.676 -58.708 - 131.070-169.762 104.426 -98.576 - 127.127-170.914 104.915-100.123 - 116.887-118.629 132.995-150.575 - 121.831 0.000 121.844 -80.682 - # 34 total E -5.39917E+01 rmsd from N 0.000 %NC 0.00 - 116.615-139.819 152.026-149.461 - 128.209-176.478 176.455-156.464 - 121.635 171.111 166.803 160.509 - 113.149-177.737 167.849-112.819 - 92.745 79.963 132.862-112.050 - 119.279 -93.774 112.364-115.884 - 93.482 105.564 151.173-154.299 - 135.057-105.915 140.290 -97.792 - 127.836-162.183 108.626 -78.679 - 126.977 172.514 0.000 0.000 - 113.966 -5.092 0.000 0.000 - 119.014-143.605 108.247-107.788 - 93.935 110.170 136.746 -49.463 - 92.095 -9.612 111.881 -78.478 - 103.369 -89.732 0.000 0.000 - 110.514-116.775 135.749 57.610 - 118.350-109.990 119.687-128.124 - 118.884-148.029 113.083-113.129 - 112.580 133.565 137.725-155.279 - 119.712 0.000 120.144 -80.521 - # 35 total E -5.37926E+01 rmsd from N 0.000 %NC 0.00 - 112.605 156.048 149.072 -38.704 - 91.703 89.257 132.706 4.223 - 91.394 45.358 106.566 -91.689 - 91.369 52.721 145.559-100.676 - 91.401 -77.559 130.211-146.123 - 129.228-179.646 137.327 -56.124 - 92.817 105.983 142.840-104.895 - 120.726 -85.546 128.529-140.846 - 119.720 -61.758 149.867 -19.979 - 125.011-166.713 0.000 0.000 - 132.115 -51.542 0.000 0.000 - 107.116 175.446 98.431 -90.547 - 125.170-178.823 121.174 -80.346 - 125.434-173.973 121.909 -80.003 - 135.684-102.177 0.000 0.000 - 126.398-101.640 125.226 -52.009 - 120.768 133.177 118.047-123.752 - 122.809-173.051 119.420-121.520 - 93.651 58.677 101.166 -97.820 - 93.322 0.000 114.380 -77.708 - # 36 total E -5.36540E+01 rmsd from N 0.000 %NC 0.00 - 124.430-126.977 175.183-165.913 - 116.547 177.136 151.513 -21.881 - 113.004 107.631 169.236 168.423 - 121.057 -98.817 111.919 -70.972 - 90.534 69.582 130.972-164.862 - 92.156 107.102 129.323 -6.690 - 92.362 -70.309 123.927 -98.963 - 122.319-169.024 136.485 137.889 - 118.063-178.373 156.615-137.222 - 96.747 74.624 0.000 0.000 - 132.133 -75.305 0.000 0.000 - 99.946 -36.809 96.561 -91.649 - 93.289 138.478 114.325 -76.371 - 117.107-178.345 134.868-126.744 - 130.212 176.769 0.000 0.000 - 129.487 -99.456 106.085 -55.740 - 117.782-108.448 115.622-120.541 - 119.352-141.899 109.433-109.800 - 118.586 -2.524 126.485-133.542 - 118.844 0.000 120.277 -80.284 - # 37 total E -5.35677E+01 rmsd from N 0.000 %NC 0.00 - 119.910 -96.896 143.427 -11.831 - 120.000 -88.900 132.372 -70.921 - 95.900 156.571 128.169-111.536 - 93.050 58.088 138.870-103.248 - 90.939 87.609 110.658 -68.391 - 102.496 -0.053 128.597 -48.725 - 93.827 -85.263 154.839-145.691 - 127.229 -77.431 124.085 117.841 - 125.488-171.151 114.614 -81.914 - 141.275 -62.654 0.000 0.000 - 95.515 12.769 0.000 0.000 - 104.660 -80.999 130.554-147.596 - 123.977 -43.301 122.775 -78.198 - 138.365-173.180 128.794 -86.790 - 95.946 150.643 0.000 0.000 - 134.364 -84.392 147.377-124.311 - 118.492-109.027 112.539-119.840 - 119.104-141.061 109.231-108.140 - 114.874 132.262 129.695-141.156 - 119.623 0.000 119.460 -80.948 - # 38 total E -5.34003E+01 rmsd from N 0.000 %NC 0.00 - 93.863 92.228 142.465 -26.784 - 118.531 179.691 157.041 -8.472 - 110.199 140.237 169.678-167.463 - 127.504 -67.508 135.145 -74.533 - 91.622 -74.707 95.411 -54.891 - 93.392 104.855 103.640 136.048 - 92.060 151.440 144.360 -26.666 - 92.187 80.012 145.910-141.214 - 92.503 117.107 142.250-120.040 - 131.936 -81.865 0.000 0.000 - 105.837 -34.614 0.000 0.000 - 95.214 164.086 103.308-102.126 - 94.215 99.392 124.101-148.455 - 122.881 166.400 122.302 -80.137 - 95.297 98.626 0.000 0.000 - 127.750 -85.214 116.221-134.258 - 119.378-111.123 116.282-121.750 - 119.473-141.388 111.089-110.745 - 113.734 134.544 131.325-143.428 - 118.720 0.000 142.296-110.556 - # 39 total E -5.33164E+01 rmsd from N 0.000 %NC 0.00 - 93.755 11.744 107.939 -79.565 - 117.763 173.480 151.299 -33.366 - 93.020 81.857 134.543-107.076 - 91.212 70.213 137.901-110.488 - 90.342 140.340 104.127 -81.320 - 91.463 105.725 119.554 24.960 - 92.241 125.155 127.812-127.997 - 118.835 -75.353 136.963-122.586 - 111.524 -54.447 105.187 -81.016 - 127.760 -3.427 0.000 0.000 - 95.585 169.663 0.000 0.000 - 116.906 161.477 127.120-135.391 - 124.149 172.974 120.602 -80.410 - 126.270 -65.441 121.752 -79.999 - 126.052 70.587 0.000 0.000 - 130.167 -81.002 141.268-164.634 - 118.290-109.238 120.419-128.957 - 113.305-141.528 96.689 -92.592 - 110.582-135.349 101.408 -97.774 - 120.630 0.000 143.041-147.087 - # 40 total E -5.31372E+01 rmsd from N 0.000 %NC 0.00 - 116.789-179.768 114.308 -81.038 - 91.379 84.882 127.071 7.739 - 91.907 32.126 91.970 -81.390 - 93.628 70.091 140.363-101.548 - 91.856 -38.201 131.078-152.303 - 124.498-163.465 140.996 -35.343 - 118.375-175.704 139.707-132.688 - 126.069-176.787 128.023-119.731 - 115.839-179.137 150.632 -19.636 - 140.118-173.927 0.000 0.000 - 92.578 42.422 0.000 0.000 - 95.908-145.570 129.860-150.979 - 127.259-166.849 122.207 -80.179 - 125.799-175.367 121.895 -78.434 - 95.111 85.402 0.000 0.000 - 124.337 -72.870 142.497 176.309 - 118.653 140.181 119.001-126.280 - 99.530-172.332 101.486-101.637 - 117.570-111.084 126.852-138.269 - 120.212 0.000 143.489-109.077 - # 41 total E -5.25109E+01 rmsd from N 0.000 %NC 0.00 - 117.638-152.023 149.161 -22.004 - 115.891 169.069 150.670 -25.612 - 127.168 52.321 163.551 163.843 - 128.565 -76.412 156.075 -65.536 - 92.192 177.827 95.473 -56.473 - 126.828 173.274 152.192-154.654 - 91.802 95.713 147.234 -83.031 - 91.518 103.652 103.257 -80.523 - 91.925 -80.906 135.718-143.787 - 95.599 164.917 0.000 0.000 - 130.123-133.472 0.000 0.000 - 92.400 57.964 103.801-102.438 - 92.349 178.161 112.928 -77.001 - 122.365 148.072 133.807 179.320 - 131.300 -81.041 0.000 0.000 - 118.927-130.475 116.141 -34.808 - 118.465-105.677 141.847-158.872 - 119.008-136.288 105.821-105.987 - 117.994-123.850 121.671-126.895 - 120.838 0.000 147.644-132.222 - # 42 total E -5.22017E+01 rmsd from N 0.000 %NC 0.00 - 119.413-119.278 110.713 -80.411 - 117.421 179.006 142.632 -33.580 - 129.004 166.968 162.769 167.308 - 116.715 102.221 174.023-161.335 - 125.868-109.706 138.333 -91.895 - 93.590 96.444 100.164-138.913 - 93.186 -83.274 142.379 -99.965 - 123.706-169.097 134.900 146.217 - 122.391 179.618 144.477 -35.126 - 132.193 30.140 0.000 0.000 - 95.316 30.497 0.000 0.000 - 102.801 167.047 97.677 -77.832 - 115.633 173.821 143.788-149.405 - 121.018-178.251 124.684 -88.128 - 96.171 85.559 0.000 0.000 - 122.554 -83.669 99.970-112.640 - 105.947 132.623 117.514-130.845 - 125.603-171.105 112.914-111.377 - 117.292 -6.462 124.742-131.737 - 93.415 0.000 115.837 -76.957 - # 43 total E -5.19579E+01 rmsd from N 0.000 %NC 0.00 - 119.560-119.687 110.156 -79.317 - 121.191-178.506 161.987-143.747 - 129.489 174.278 160.502-174.670 - 122.745 166.376 159.430 -53.133 - 91.807 -63.302 120.323-120.205 - 92.843 148.265 91.344 -77.113 - 92.100 119.033 134.384-120.204 - 89.911 -34.564 117.215-131.111 - 90.836 -61.318 143.846-129.758 - 94.082 13.022 0.000 0.000 - 120.794 -59.801 0.000 0.000 - 105.219 166.740 131.294-148.554 - 122.391 175.884 150.769-116.905 - 125.963 -91.707 121.917 -80.234 - 125.556-176.403 0.000 0.000 - 128.750 -88.706 118.962 -54.701 - 117.883-108.487 118.470-124.836 - 119.065-141.604 110.839-110.486 - 115.961 -2.037 129.364-139.754 - 118.817 0.000 120.321 -80.147 - # 44 total E -5.19180E+01 rmsd from N 0.000 %NC 0.00 - 117.411-159.266 148.434 -24.255 - 118.705 178.962 159.076 -13.181 - 128.278 118.042 162.633 175.178 - 123.175-122.985 121.726 -70.908 - 91.722 73.431 117.714 -61.672 - 121.586 -70.260 145.600 132.449 - 107.327-172.238 153.492 -23.816 - 128.327-174.769 111.983-118.944 - 117.749-178.947 150.933 -18.468 - 135.807 -68.915 0.000 0.000 - 127.617 -38.058 0.000 0.000 - 130.375 174.598 100.651 -90.960 - 93.250 89.333 114.794 -76.617 - 94.316 -10.556 113.810 -77.242 - 127.656 -30.099 0.000 0.000 - 128.212 -79.395 142.976 175.060 - 118.883-110.935 112.400-116.565 - 118.859-138.186 114.438-115.757 - 116.965-118.668 128.568-136.540 - 121.824 0.000 121.637 -80.958 - # 45 total E -5.18518E+01 rmsd from N 0.000 %NC 0.00 - 93.627 49.901 143.974-128.499 - 92.955 173.771 157.648 -21.178 - 95.459 91.386 176.417 179.932 - 116.585 -98.651 112.453 -60.558 - 91.477 174.420 145.717 65.105 - 93.730 84.662 128.215 -18.954 - 91.758 113.957 131.330-102.795 - 91.649 -49.285 121.481-144.231 - 92.142 -49.075 147.171 -24.136 - 112.558-166.540 0.000 0.000 - 124.064 -34.003 0.000 0.000 - 92.416 66.763 96.458 -85.810 - 91.149 87.786 135.445 158.568 - 92.498 -1.212 114.707 -81.990 - 112.559 -46.383 0.000 0.000 - 130.019 83.476 136.901-145.385 - 129.287-168.930 110.025-107.365 - 120.330-112.514 110.629-109.954 - 122.192 113.604 115.551-117.734 - 93.442 0.000 114.753 -77.642 - # 46 total E -5.17725E+01 rmsd from N 0.000 %NC 0.00 - 93.798 101.874 145.279 -27.430 - 116.316 173.602 151.613 -28.687 - 115.800 174.419 116.839 -65.223 - 93.761 75.160 133.138-118.949 - 113.767 -87.589 131.426 -20.168 - 117.985-168.935 140.385-132.889 - 119.250 179.564 153.560 -25.786 - 116.425-179.328 118.160-131.089 - 121.982 -56.037 159.595-161.110 - 130.145 -10.312 0.000 0.000 - 123.625 -35.329 0.000 0.000 - 94.190 91.875 131.439-154.230 - 131.915-125.178 120.634 -81.658 - 130.392-175.452 124.817 -79.066 - 95.000 77.825 0.000 0.000 - 123.805 -82.702 95.904-103.549 - 114.534 133.263 116.541-125.240 - 92.427 126.044 105.555-118.599 - 92.769 130.560 101.008-115.822 - 118.323 0.000 130.532-139.593 - # 47 total E -5.14256E+01 rmsd from N 0.000 %NC 0.00 - 93.723 37.683 107.391 -79.845 - 92.175 87.789 140.434 -97.202 - 93.541 106.484 176.444 177.772 - 93.549 -3.640 167.862-160.090 - 92.187 -85.990 125.210 -49.080 - 92.724 169.617 126.427 -27.330 - 91.121 91.023 119.495-132.041 - 91.505 100.339 133.646-109.558 - 93.284 -12.768 109.596 -92.257 - 96.386 173.901 0.000 0.000 - 133.702 -54.067 0.000 0.000 - 94.513 -34.052 99.023-102.940 - 93.231 107.567 114.261 -76.480 - 122.520-149.435 120.163 -84.978 - 133.294-108.346 0.000 0.000 - 134.901 -87.833 150.110 -79.094 - 108.834-168.120 96.906-126.104 - 93.029 51.726 124.745-145.262 - 93.366 44.940 129.295-152.179 - 93.318 0.000 115.696 -76.445 - # 48 total E -5.13673E+01 rmsd from N 0.000 %NC 0.00 - 93.857 126.320 149.332 -15.058 - 127.678 -59.380 157.003-130.903 - 117.856 84.923 98.037 -86.217 - 129.352 -99.384 166.033-172.785 - 92.356 81.696 129.710-131.128 - 93.304 98.548 100.305 -94.964 - 110.353-105.403 142.989-136.080 - 124.193-177.626 134.429-135.839 - 122.571-179.854 152.773 -16.954 - 129.281 14.506 0.000 0.000 - 122.565 -36.523 0.000 0.000 - 110.140 112.688 130.469-144.100 - 128.662 -99.154 120.094 -80.657 - 127.257 -62.148 121.882 -80.135 - 129.718 -22.549 0.000 0.000 - 133.955 -80.879 145.406 146.084 - 119.308-118.027 102.755-104.313 - 105.804-167.574 102.689-102.036 - 115.905-118.593 133.841-147.735 - 120.977 0.000 149.320-102.883 - # 49 total E -5.11815E+01 rmsd from N 0.000 %NC 0.00 - 116.652-142.162 152.323-148.909 - 121.908-175.620 158.368-154.843 - 130.334 -95.919 150.464 3.336 - 122.226-168.557 121.952 -69.962 - 91.010 91.794 119.614 -88.237 - 92.488 62.488 114.466 138.483 - 92.081 142.014 149.955 -30.544 - 91.581 77.529 135.566-112.442 - 94.211 33.359 101.713 -82.193 - 146.697 -69.631 0.000 0.000 - 118.176 -13.682 0.000 0.000 - 108.506-144.030 93.809 -77.406 - 132.063-166.590 120.802 -86.838 - 132.128 -61.343 119.689 -82.526 - 96.168 62.534 0.000 0.000 - 129.664-150.102 78.685 -67.624 - 94.088 116.268 130.784-154.908 - 109.076-175.489 120.049-127.116 - 114.128 144.199 135.466-151.270 - 119.164 0.000 144.950-103.517 - # 50 total E -5.07800E+01 rmsd from N 0.000 %NC 0.00 - 93.605 44.449 143.609-132.137 - 92.551 155.491 139.605 -45.545 - 94.167 70.948 176.407-176.782 - 93.732 -5.693 122.675 -63.504 - 122.948-101.114 132.473-111.779 - 142.830 1.670 124.312 141.795 - 94.706 90.374 141.160 -48.772 - 128.340-110.845 149.578 157.429 - 126.351 -78.279 114.000 -78.957 - 96.475 58.144 0.000 0.000 - 94.276 37.713 0.000 0.000 - 90.727 61.901 101.207 -99.275 - 90.470 134.121 118.054 -75.736 - 92.933 -63.290 114.853-149.274 - 95.323 78.051 0.000 0.000 - 126.937 -86.318 89.213 -89.829 - 124.221-170.675 114.806-116.426 - 92.723 49.353 104.630-114.230 - 106.042-108.143 127.756-144.244 - 94.581 0.000 116.589 -77.451 - # 51 total E -5.07600E+01 rmsd from N 0.000 %NC 0.00 - 93.709 43.205 108.694 -80.445 - 92.894 109.452 150.817 -37.092 - 127.540 -95.771 154.527 3.863 - 123.065-167.704 130.312 -60.503 - 92.089 -65.163 104.280-110.542 - 109.050-176.270 136.343 -31.271 - 122.133-178.691 146.438-155.948 - 117.611 178.947 148.991-105.567 - 126.305-177.550 111.476 -82.536 - 116.809 32.689 0.000 0.000 - 92.240 48.240 0.000 0.000 - 89.877 61.366 98.562-102.873 - 89.881 142.049 112.132 -76.940 - 94.523 -62.628 112.453 -80.132 - 95.308 75.353 0.000 0.000 - 127.100 -91.003 81.617 -73.280 - 123.577-166.471 114.214-115.685 - 120.429-112.387 117.538-118.901 - 121.123 115.624 121.131-123.467 - 93.392 0.000 114.806 -75.034 - # 52 total E -5.07572E+01 rmsd from N 0.000 %NC 0.00 - 93.747 85.994 147.506 -32.205 - 117.541-179.356 152.290 -20.205 - 112.749 174.383 116.118 -64.783 - 92.008 79.864 124.851-112.098 - 90.854 8.973 95.543 -90.793 - 101.564 -98.319 159.910 19.977 - 123.110 178.011 154.632-168.458 - 121.681-179.734 150.008 -75.457 - 119.806 -66.807 157.002-154.610 - 125.234-168.909 0.000 0.000 - 124.651 -56.757 0.000 0.000 - 111.040 14.573 90.766 -80.100 - 92.433 -64.513 113.587 -79.228 - 90.041 2.145 114.499 -75.146 - 120.042 -30.231 0.000 0.000 - 123.617 -72.145 138.895 -34.754 - 113.802-143.405 98.100 -83.165 - 112.517 135.835 120.074-128.351 - 106.445-119.670 101.115-102.294 - 120.596 0.000 145.020-121.872 - # 53 total E -5.07058E+01 rmsd from N 0.000 %NC 0.00 - 118.475-151.143 146.891 -19.661 - 121.284-178.639 160.178-150.516 - 121.399 174.325 155.400 0.691 - 119.021 174.284 164.056-110.999 - 91.266 71.176 147.014-151.001 - 91.620 130.765 142.137 11.957 - 92.118 76.593 121.241-122.665 - 91.912 132.652 119.877 152.660 - 122.736 162.928 142.170 -40.935 - 114.186 153.634 0.000 0.000 - 134.724 -66.807 0.000 0.000 - 108.410 -68.655 128.669-142.397 - 91.521 75.294 114.888 -76.403 - 93.890 132.445 113.148 -77.111 - 139.376 -87.741 0.000 0.000 - 123.783-105.467 118.499 -48.187 - 119.146 131.908 120.688-128.332 - 92.756 125.458 106.276-111.986 - 92.612 131.436 101.229-116.787 - 118.354 0.000 129.908-139.411 - # 54 total E -5.06351E+01 rmsd from N 0.000 %NC 0.00 - 93.788 16.227 146.195 -28.160 - 117.927-174.790 149.996 -16.389 - 129.845 -99.191 168.486 164.182 - 124.435-169.885 137.215 -77.131 - 113.363 179.077 131.382 -16.988 - 122.416-178.674 148.655-117.450 - 114.735 177.281 148.334-102.415 - 128.082 179.826 137.935-130.846 - 120.232 179.513 110.644 -75.659 - 137.738 -62.033 0.000 0.000 - 93.204 48.024 0.000 0.000 - 91.011 38.977 96.242 -96.206 - 92.756-103.087 110.656 -76.904 - 124.236 -75.082 149.113 -66.143 - 123.032 62.938 0.000 0.000 - 125.910 -79.402 152.833 -30.982 - 118.527-114.849 111.137-113.653 - 116.239-137.693 131.804-142.971 - 112.826-127.099 100.326 -87.331 - 120.719 0.000 146.478-134.048 - # 55 total E -5.06169E+01 rmsd from N 0.000 %NC 0.00 - 117.290-132.829 153.560-150.529 - 117.063 170.056 141.177 -29.427 - 94.624 81.724 131.823 116.208 - 129.546 -98.818 160.000 -43.630 - 92.044 105.400 91.960 -75.642 - 103.402 4.268 144.043-125.519 - 93.161-102.275 145.992 -92.163 - 109.987 166.539 129.619 146.108 - 123.206 -80.941 149.118 -33.107 - 95.621 81.352 0.000 0.000 - 150.393 -27.593 0.000 0.000 - 127.290-156.838 105.534-101.612 - 108.206 165.576 117.760 -78.221 - 123.009 -67.625 118.023 -81.444 - 114.391 -18.617 0.000 0.000 - 121.015 -93.534 138.272 159.133 - 126.783 133.319 121.087-124.939 - 127.144-173.411 113.824-109.802 - 116.391-118.640 131.836-144.120 - 120.935 0.000 148.977-105.056 - # 56 total E -5.05302E+01 rmsd from N 0.000 %NC 0.00 - 93.807 79.610 151.189-162.813 - 91.857 92.011 153.977 -92.322 - 93.739 63.141 82.883 -91.013 - 113.793 -84.393 163.851-134.793 - 102.401 179.838 137.187-132.296 - 132.718-178.171 146.655-171.425 - 119.291-177.111 153.630 -17.388 - 118.900-178.382 119.180-123.852 - 120.990-179.436 158.049-159.099 - 136.636 -71.615 0.000 0.000 - 131.201 -38.695 0.000 0.000 - 91.900 63.036 103.058-104.338 - 90.682 61.399 112.482 -76.664 - 92.835 40.312 112.196 -80.247 - 95.698 71.823 0.000 0.000 - 121.426 -78.136 133.280-111.979 - 119.348-159.547 118.743-126.348 - 93.497 116.709 106.562-105.305 - 92.760 131.020 100.561-106.435 - 118.450 0.000 132.014-139.072 - # 57 total E -5.04474E+01 rmsd from N 0.000 %NC 0.00 - 116.751-175.166 108.308 -82.769 - 123.750-178.821 152.382-141.584 - 120.643 166.850 142.541 -33.660 - 92.710 82.948 130.754-117.390 - 91.200 -31.603 109.507 -36.594 - 126.346-172.268 134.567 -49.882 - 120.496 175.742 148.586-138.754 - 121.494-171.248 163.922-120.398 - 94.614 16.311 145.294-122.870 - 96.897 90.444 0.000 0.000 - 124.062 -39.101 0.000 0.000 - 93.638 77.531 90.893 -82.953 - 143.138-112.570 127.929 -81.269 - 126.451 -58.006 120.446 -80.017 - 119.555 -6.511 0.000 0.000 - 107.840 90.350 120.963 -30.082 - 121.456-107.317 108.862-111.689 - 118.421-142.996 133.198-141.864 - 135.477 0.231 104.366 -92.678 - 117.333 0.000 131.438-122.686 - # 58 total E -5.02974E+01 rmsd from N 0.000 %NC 0.00 - 113.317 162.939 151.192-132.790 - 91.490 75.354 143.973-118.552 - 90.899 49.122 121.514 -38.958 - 91.340 68.491 133.237 -96.761 - 90.365 21.691 127.648 -71.592 - 102.022 -95.272 96.192-115.229 - 121.022-173.278 151.260-133.714 - 120.087 177.846 137.474 151.653 - 93.388 -57.625 103.510 -68.470 - 95.774 7.550 0.000 0.000 - 117.566 -52.239 0.000 0.000 - 92.921 -32.933 134.573-160.320 - 93.254 102.278 115.272 -76.617 - 125.553 175.905 119.741 -81.115 - 118.801 67.577 0.000 0.000 - 123.701 -74.829 144.150 -44.272 - 119.343-142.699 112.813-115.733 - 101.162-172.666 103.521-101.387 - 116.360 143.423 130.394-144.065 - 119.084 0.000 144.139-106.381 - # 59 total E -5.01221E+01 rmsd from N 0.000 %NC 0.00 - 94.070 133.712 139.955 -1.196 - 114.182 109.486 154.132-153.913 - 132.279 -78.126 145.086 -3.625 - 107.941 -49.304 160.060-111.035 - 120.859-173.375 145.445-138.594 - 118.404 169.782 107.948-138.553 - 92.290 107.058 142.754 -43.451 - 94.764 163.870 118.303-153.362 - 119.319-174.537 151.668 -16.920 - 137.429 -61.658 0.000 0.000 - 109.170 -23.744 0.000 0.000 - 97.137 166.578 101.683 -98.671 - 125.027 179.792 141.367-135.088 - 119.419 119.274 146.746 -72.427 - 133.131-100.720 0.000 0.000 - 119.999 -93.353 141.925 52.938 - 119.271-109.898 119.052-121.573 - 116.650-108.940 120.615-124.874 - 111.540-147.174 95.800 -89.656 - 124.513 0.000 123.524 -85.125 - # 60 total E -5.00996E+01 rmsd from N 0.000 %NC 0.00 - 117.790-157.110 148.333 -21.673 - 111.568 165.482 145.829 -34.588 - 93.409 75.407 108.141 -80.925 - 93.653 159.954 141.651 -88.481 - 92.269 79.480 140.278-133.057 - 130.642 -63.616 106.232-106.170 - 90.936 76.968 140.669 166.055 - 91.578 11.838 132.459 -94.110 - 95.789 -85.499 149.877 -24.274 - 130.617 -53.345 0.000 0.000 - 93.534 -32.095 0.000 0.000 - 96.474 159.247 132.889-155.410 - 121.335 174.622 119.325 -79.801 - 128.926 178.897 160.004 -39.940 - 121.998 172.598 0.000 0.000 - 129.813 -85.454 135.739 165.960 - 120.023-166.036 118.293-124.634 - 92.564 54.230 127.296-147.990 - 93.313 24.188 93.487 -94.869 - 93.384 0.000 117.160 -77.600 - # 61 total E -5.00770E+01 rmsd from N 0.000 %NC 0.00 - 93.903 98.718 139.950 -24.078 - 118.288 175.849 145.711 -8.513 - 109.840 -67.211 139.307-118.985 - 123.627 66.873 137.289-107.796 - 89.552 -76.712 98.798 -50.520 - 91.177 0.254 122.772 -53.899 - 108.606 79.209 153.842 -19.289 - 140.007 -84.472 151.620 135.040 - 124.061-168.600 155.532 -11.564 - 128.500-177.830 0.000 0.000 - 126.156 -28.345 0.000 0.000 - 92.274 69.699 102.301-101.072 - 92.278 154.531 130.851-120.694 - 136.157 154.480 123.035 -85.645 - 131.873-106.443 0.000 0.000 - 126.414-108.586 111.774 -46.936 - 116.425-107.637 131.351-146.114 - 113.499-137.296 101.288 -83.494 - 93.521 84.126 128.832-152.076 - 93.263 0.000 110.958 -77.193 - # 62 total E -5.00379E+01 rmsd from N 0.000 %NC 0.00 - 118.093-153.579 147.638 -20.979 - 111.090 158.141 140.016 -38.831 - 92.377 89.558 107.192 -70.577 - 94.553 4.786 130.609 -86.843 - 94.141 -94.444 108.984 -35.836 - 114.431 -68.940 135.599 127.688 - 91.565 84.408 145.535-134.036 - 92.340 49.473 130.630-140.782 - 93.524-174.505 144.320 -16.497 - 116.980 28.050 0.000 0.000 - 120.658-165.673 0.000 0.000 - 115.557 169.053 131.344-143.178 - 124.014 179.546 147.652 -91.835 - 125.952-177.092 123.092 -78.854 - 123.029 174.247 0.000 0.000 - 129.987 -85.228 131.304-150.200 - 118.666-109.251 115.738-120.957 - 118.895-139.620 114.871-116.126 - 93.367 71.121 102.048-102.793 - 93.312 0.000 112.993 -77.821 - # 63 total E -4.99582E+01 rmsd from N 0.000 %NC 0.00 - 93.719 21.470 109.410 -80.493 - 115.280 177.504 155.194-124.323 - 104.422 161.374 128.301 -40.992 - 129.268 -58.852 139.310-113.890 - 91.668 -25.816 135.000-145.316 - 117.271-174.539 142.296-111.854 - 108.475 92.489 140.463 -93.086 - 121.098 -92.487 133.116 130.552 - 94.674 43.666 148.546 -23.309 - 146.085 -74.696 0.000 0.000 - 130.406 -28.295 0.000 0.000 - 119.893 118.972 114.215-114.911 - 138.870 -92.559 123.084 -83.014 - 117.263 64.404 119.794 -78.884 - 95.520 82.694 0.000 0.000 - 122.445 -71.512 126.001 -92.020 - 115.613-113.608 90.418 -86.127 - 119.026-146.793 112.092-112.837 - 114.979-126.467 137.281-155.770 - 121.081 0.000 149.336-129.315 - # 64 total E -4.98513E+01 rmsd from N 0.000 %NC 0.00 - 118.324-148.471 147.535 -20.157 - 117.553 170.292 134.895 -68.401 - 128.612 103.898 161.687 157.412 - 83.294 -58.496 133.353 -89.851 - 89.472 -55.870 103.406 -51.175 - 90.673 130.520 99.023 -60.718 - 92.055 91.862 157.921-175.546 - 91.899 8.107 146.286-157.273 - 94.399-168.695 147.267 -28.077 - 124.529 176.698 0.000 0.000 - 92.974 51.058 0.000 0.000 - 90.306 37.862 86.740 -83.982 - 92.672-136.413 109.977 -77.315 - 93.825 42.863 115.695 -76.060 - 161.339 -52.807 0.000 0.000 - 94.596 156.333 138.873 -64.646 - 94.302 133.182 91.958-117.684 - 125.695-171.814 111.912-110.216 - 107.096 -6.678 95.511-100.890 - 93.431 0.000 114.788 -77.237 - # 65 total E -4.98488E+01 rmsd from N 0.000 %NC 0.00 - 115.947 178.755 145.674 -28.729 - 114.359 176.456 154.299 -13.612 - 132.026 -84.690 165.724 178.582 - 90.751 64.205 130.707 -97.843 - 90.526 26.367 104.920-104.807 - 98.458 -88.582 93.164-111.397 - 132.053-175.931 157.489-151.384 - 124.193-176.556 142.329-102.830 - 121.720-178.014 151.284 -18.515 - 126.291 172.116 0.000 0.000 - 134.401 -57.134 0.000 0.000 - 117.476 176.485 126.359-133.289 - 124.243-179.638 147.223-101.416 - 125.587-179.168 121.758 -80.093 - 127.000 171.408 0.000 0.000 - 128.973-102.515 140.403 78.172 - 121.866 132.581 119.734-126.269 - 92.854 128.020 104.028-104.413 - 105.183-103.189 101.455-113.571 - 94.629 0.000 134.146-131.425 - # 66 total E -4.97802E+01 rmsd from N 0.000 %NC 0.00 - 119.547-124.717 109.732 -79.172 - 121.388-178.728 158.704-152.204 - 123.157 175.484 153.996 -0.785 - 119.479-178.595 165.552-128.658 - 115.513-176.568 163.291-150.895 - 130.895-178.166 150.853 177.301 - 114.631 175.186 151.209 -28.896 - 109.374 161.651 123.263 144.110 - 118.561 -68.374 126.031 -92.413 - 123.029 0.870 0.000 0.000 - 116.840 -22.070 0.000 0.000 - 115.395-142.575 126.540-134.526 - 92.425 91.099 117.584 -76.798 - 93.199 23.605 113.130 -77.604 - 96.317 79.575 0.000 0.000 - 124.923 -67.045 134.745-100.191 - 122.078-147.589 105.382-104.149 - 107.328 135.976 117.554-126.728 - 121.993 67.472 118.494-122.663 - 93.249 0.000 112.291 -76.362 - # 67 total E -4.96815E+01 rmsd from N 0.000 %NC 0.00 - 93.629 48.358 143.868-132.222 - 93.089 169.600 136.352 -31.171 - 109.350 170.522 141.392-113.101 - 120.121 175.836 136.901 -88.267 - 104.420 164.091 134.744-129.679 - 120.528 166.970 147.241-146.350 - 91.380 67.972 149.929 -35.670 - 92.061 74.642 90.740-114.557 - 92.289 -48.219 141.696-133.465 - 114.943-159.989 0.000 0.000 - 125.613 -36.000 0.000 0.000 - 91.351 64.936 101.727-102.221 - 91.561 12.157 111.624 -76.743 - 106.151 -85.849 121.907 -77.352 - 128.701 -73.381 0.000 0.000 - 126.553-113.566 131.552 -38.529 - 116.569 124.871 118.458-127.539 - 92.367 47.694 106.813-113.444 - 93.093 96.190 127.841-149.743 - 121.260 0.000 120.604 -85.928 - # 68 total E -4.93151E+01 rmsd from N 0.000 %NC 0.00 - 116.556-142.250 152.091-147.184 - 123.608-177.485 166.471-147.184 - 128.572 177.278 165.142 167.624 - 133.883 179.081 156.196 -17.379 - 90.923 87.748 128.410-155.606 - 92.505 116.114 134.959 12.013 - 92.467 164.853 122.184-124.804 - 126.023-174.234 159.562-128.695 - 127.453 -51.884 171.148-165.130 - 131.100 81.333 0.000 0.000 - 123.344 -51.449 0.000 0.000 - 110.174 103.099 130.678-144.543 - 121.032 -96.705 145.300 -84.668 - 121.196-176.299 121.812 -79.717 - 135.348 174.810 0.000 0.000 - 123.390 -93.573 124.764 84.829 - 123.324 135.632 120.577-125.651 - 126.661-170.593 108.461-103.564 - 118.653-120.393 122.585-128.854 - 121.105 0.000 150.013-104.317 - # 69 total E -4.92621E+01 rmsd from N 0.000 %NC 0.00 - 116.782-137.884 152.377-150.931 - 120.393 176.604 134.733 -63.455 - 122.473 171.272 114.647 -89.902 - 119.514 85.109 125.897-117.688 - 90.769 -75.585 115.592 -34.385 - 93.414 151.168 124.821 -39.551 - 91.640 88.388 129.786-132.866 - 107.799-101.391 105.654-125.067 - 124.544 155.101 112.313 -79.965 - 122.885 10.744 0.000 0.000 - 115.972 -29.334 0.000 0.000 - 111.799-151.343 124.928-134.354 - 121.040 174.615 144.300 148.332 - 95.000 -60.782 113.782 -75.543 - 95.001 63.557 0.000 0.000 - 129.009 -98.903 114.381-124.377 - 125.923-163.569 120.435-121.356 - 120.863 53.851 111.607-109.013 - 114.781 -18.948 125.727-134.531 - 93.541 0.000 134.192 -97.319 - # 70 total E -4.88548E+01 rmsd from N 0.000 %NC 0.00 - 93.794 14.338 146.061 -28.236 - 115.391 176.592 148.744 -26.299 - 118.134-179.704 117.900 -75.137 - 120.088 173.231 159.573-124.276 - 92.572 95.437 133.620-104.629 - 124.741-111.774 99.483 -72.053 - 120.868 171.412 151.668-146.748 - 93.006 88.915 143.709-102.697 - 93.608 -74.809 103.084 -80.667 - 94.712 170.602 0.000 0.000 - 139.654 -52.989 0.000 0.000 - 102.081 -34.929 93.983 -96.023 - 93.216 125.954 135.696 -96.465 - 120.369 -68.463 120.392 -83.320 - 140.518 -22.833 0.000 0.000 - 130.178 -82.864 141.562-175.698 - 118.840-112.906 110.509-113.514 - 118.013-138.962 122.492-128.283 - 115.950-118.617 134.648-144.845 - 120.964 0.000 149.141-103.893 - # 71 total E -4.87146E+01 rmsd from N 0.000 %NC 0.00 - 93.618 16.345 144.130-132.184 - 115.761 175.869 152.779 -16.498 - 110.704 110.867 169.806 178.092 - 124.221 -97.390 123.159 -69.941 - 119.530-157.978 129.895 26.128 - 134.476-155.638 154.162 132.785 - 122.815 -87.860 163.466-152.345 - 129.414 173.506 149.963 177.467 - 93.131 -53.305 147.850 -24.161 - 95.078 71.524 0.000 0.000 - 137.029 -67.848 0.000 0.000 - 133.820 109.663 114.080-106.858 - 129.051-104.184 119.886 -77.401 - 127.808 -70.329 152.103 -69.522 - 132.244 -67.012 0.000 0.000 - 122.377-110.216 112.505 87.713 - 118.180-107.794 126.951-136.846 - 119.423-137.676 109.492-108.095 - 117.528-118.569 125.585-132.732 - 120.965 0.000 147.944-111.777 - # 72 total E -4.86626E+01 rmsd from N 0.000 %NC 0.00 - 93.728 127.874 148.301-123.860 - 108.424 106.850 153.775-139.786 - 123.524 -68.206 108.696 -81.096 - 111.828 -36.156 166.849-172.227 - 121.006-178.602 127.916 -21.448 - 124.869-168.857 110.038-123.796 - 121.574 -85.060 143.767 -98.829 - 116.528-172.043 106.452-108.647 - 127.521 175.611 154.888-174.689 - 121.038 14.485 0.000 0.000 - 112.781 -44.627 0.000 0.000 - 112.657 -85.252 126.418-136.319 - 91.371 84.336 116.459 -74.656 - 94.510 34.500 112.836 -77.950 - 96.819 66.060 0.000 0.000 - 134.351-104.358 128.315-119.079 - 107.783-171.306 93.697-109.450 - 124.099-141.945 123.348-125.548 - 127.290 134.313 110.093-104.036 - 118.968 0.000 143.390-120.102 - # 73 total E -4.85838E+01 rmsd from N 0.000 %NC 0.00 - 117.402-110.800 156.005 -17.653 - 121.907 165.123 151.143-131.585 - 93.154 74.465 166.083 6.505 - 94.050 99.896 137.217 -84.197 - 91.761 161.558 114.002 -22.594 - 113.349 165.398 144.508 127.600 - 92.910 93.226 152.843-118.061 - 126.671 -80.589 142.079 151.428 - 118.555-161.267 147.115 -24.961 - 95.810 60.629 0.000 0.000 - 92.404 28.079 0.000 0.000 - 95.094-145.172 128.181-148.586 - 117.967 167.296 150.497-109.133 - 121.869 -76.845 147.938 -75.467 - 132.674 -71.945 0.000 0.000 - 127.587-157.888 113.536 -81.405 - 93.212 115.613 97.435-120.453 - 127.132-105.084 128.149-128.830 - 92.773 71.891 92.645 -98.731 - 93.292 0.000 108.939 -80.122 - # 74 total E -4.85699E+01 rmsd from N 0.000 %NC 0.00 - 116.584-141.380 151.989-149.225 - 113.395 163.292 148.452 -36.621 - 94.573 88.157 119.476 -79.325 - 103.108 -91.588 117.410 -63.575 - 110.820 -58.739 86.301 94.334 - 125.414 -79.415 133.318 -43.919 - 91.455 63.156 141.825 155.408 - 91.534 69.229 130.938-130.424 - 92.182 -49.682 100.042 -88.937 - 122.450 -80.169 0.000 0.000 - 124.406 -35.632 0.000 0.000 - 114.459-179.168 122.337-129.121 - 130.160-101.623 120.604 -79.149 - 108.208 -74.605 117.734 -77.569 - 123.317 178.546 0.000 0.000 - 124.559 -99.904 99.286 -78.963 - 116.885-167.734 119.550-127.859 - 93.351 120.407 127.617-148.419 - 120.013-120.804 119.660-122.950 - 121.972 0.000 121.455 -81.063 - # 75 total E -4.85573E+01 rmsd from N 0.000 %NC 0.00 - 93.617 19.274 144.009-127.055 - 118.454-179.750 159.627-145.197 - 127.459 174.451 162.166-177.514 - 122.281 173.625 160.362 -66.633 - 92.354 162.263 129.524-124.181 - 104.783 163.475 144.583 -11.335 - 92.757 95.499 130.313-153.510 - 115.527 -88.140 127.142-132.956 - 116.348 -72.826 107.607 -79.865 - 129.641-173.974 0.000 0.000 - 130.212 -68.532 0.000 0.000 - 103.908 -35.765 125.648-139.568 - 91.159 98.973 113.765 -75.947 - 93.621 8.463 103.944 -77.385 - 131.122 -46.796 0.000 0.000 - 94.762 157.781 110.649-139.900 - 125.790-171.344 129.663-134.598 - 93.649 123.054 105.299 -98.894 - 125.288-120.087 109.839-107.099 - 121.659 0.000 121.305 -80.868 - # 76 total E -4.82754E+01 rmsd from N 0.000 %NC 0.00 - 115.649-136.191 145.755 -99.344 - 118.757 -91.881 168.070 -12.939 - 118.734 170.976 155.094 29.081 - 98.159 -48.075 160.822 149.902 - 90.610 -16.932 115.677 -19.781 - 123.343 170.057 176.464-161.586 - 91.718 74.202 141.211-124.065 - 121.118 -87.877 110.168 -92.859 - 106.978 -61.785 107.189 -81.082 - 121.676-166.613 0.000 0.000 - 103.369 -17.510 0.000 0.000 - 95.928 -64.017 86.478 -86.316 - 92.293 6.532 113.421 -75.271 - 121.168-102.927 148.742 -51.812 - 95.565 163.141 0.000 0.000 - 128.928 -88.727 131.564-129.677 - 118.510-109.009 117.641-124.518 - 119.288-137.753 110.572-110.143 - 117.473-118.547 125.851-132.908 - 120.892 0.000 148.038-111.712 - # 77 total E -4.81874E+01 rmsd from N 0.000 %NC 0.00 - 93.605 104.893 142.802-129.081 - 121.442 179.713 163.500-157.503 - 123.453 177.664 153.347 -4.323 - 120.982 167.131 160.605-120.757 - 91.802 172.550 143.746-130.987 - 93.268 96.183 152.400-130.895 - 91.650 -7.588 139.966 -42.502 - 95.995 -84.610 135.440-127.591 - 108.912 164.624 110.310 -80.313 - 128.559 13.223 0.000 0.000 - 120.579 -22.536 0.000 0.000 - 112.043 -87.577 93.094 -87.666 - 116.292 -34.147 114.528 -77.118 - 93.039 -41.863 108.005 -77.991 - 109.793 -18.348 0.000 0.000 - 108.209 -65.185 128.644 123.584 - 93.541 132.751 100.028-114.642 - 104.953-112.350 93.000-101.649 - 117.125-124.761 124.862-132.601 - 121.219 0.000 150.888-119.781 - # 78 total E -4.81467E+01 rmsd from N 0.000 %NC 0.00 - 93.767 11.589 146.399 -29.860 - 113.372 173.625 156.457-151.806 - 94.456 93.842 165.130 7.726 - 120.191 -93.278 109.679 -85.943 - 90.627 77.358 124.537 136.930 - 92.040 121.682 123.940 -33.560 - 91.708 116.406 130.163-128.125 - 93.896 -59.564 116.375-145.918 - 109.417 -62.151 148.209 -20.015 - 124.437-164.242 0.000 0.000 - 94.200 45.013 0.000 0.000 - 100.750 171.625 126.348-143.299 - 124.744 179.962 121.438 -80.596 - 124.733-179.479 149.252 -66.920 - 126.894 170.925 0.000 0.000 - 128.123-108.168 138.126 -40.075 - 120.193 122.472 119.714-127.315 - 92.881 50.660 124.514-144.838 - 93.087 94.669 127.934-150.199 - 93.430 0.000 127.998-115.482 - # 79 total E -4.81136E+01 rmsd from N 0.000 %NC 0.00 - 93.626 46.689 144.161-133.575 - 92.748 158.779 126.368 -76.685 - 118.387 117.829 109.403 -66.857 - 131.215-114.159 162.600-119.189 - 91.926 82.765 136.568-161.642 - 112.127 -58.756 136.181 8.549 - 91.816 90.433 143.782 -45.760 - 95.926 -65.145 141.593-122.158 - 126.086 -96.064 114.725 -75.737 - 97.089 113.717 0.000 0.000 - 133.649 -59.152 0.000 0.000 - 125.571 173.660 115.122-112.309 - 93.172 92.866 118.609 -79.449 - 93.891 13.481 113.151 -77.364 - 119.428 72.473 0.000 0.000 - 124.299 -89.035 138.470-155.865 - 105.963 133.904 99.573-109.545 - 128.570-143.607 112.509-108.353 - 117.916-121.284 126.872-134.092 - 121.145 0.000 149.624-113.690 - # 80 total E -4.80838E+01 rmsd from N 0.000 %NC 0.00 - 117.416-164.558 147.721 -23.429 - 117.165-178.795 147.377 -18.695 - 121.793 173.465 163.726-177.374 - 129.289 173.484 157.218 -43.209 - 91.509 70.608 124.785-135.582 - 112.924-158.645 136.332 30.107 - 123.239-102.674 152.044 175.207 - 93.055 93.101 126.081-135.396 - 93.340 9.346 105.988 -83.248 - 117.002-157.677 0.000 0.000 - 96.185 41.717 0.000 0.000 - 100.697 -82.924 96.629 -88.151 - 93.513 -18.130 113.491 -75.695 - 128.189-168.356 121.755 -80.479 - 126.299 175.206 0.000 0.000 - 128.582 -86.051 139.002 -47.828 - 118.644-109.074 114.740-119.174 - 118.371-138.607 117.625-120.465 - 113.005-107.954 98.699 -91.720 - 94.543 0.000 116.098 -77.254 - # 81 total E -4.79163E+01 rmsd from N 0.000 %NC 0.00 - 93.715 100.321 108.697 -80.327 - 114.803 173.396 148.301 -28.887 - 114.446 165.945 110.991 -73.297 - 93.258 54.224 134.741-109.112 - 91.451 66.946 115.824 -63.993 - 124.515 -82.522 143.252 127.033 - 113.771-171.452 149.605 -81.049 - 122.133-178.507 111.673-125.585 - 122.054 -71.347 151.649 -19.055 - 132.323 -67.794 0.000 0.000 - 121.147 -33.992 0.000 0.000 - 112.988-179.596 128.240-138.917 - 124.496 177.763 121.146 -80.504 - 126.160 -90.577 121.941 -80.083 - 125.736-175.153 0.000 0.000 - 128.267 -80.618 142.283 -47.241 - 119.642-160.520 117.970-124.007 - 110.880-112.938 100.010 -92.732 - 117.305-119.528 126.440-135.357 - 120.961 0.000 148.622-112.669 - # 82 total E -4.77877E+01 rmsd from N 0.000 %NC 0.00 - 93.813 16.366 145.482 -27.973 - 117.043-177.018 160.133 -16.344 - 135.822 179.821 166.367 159.164 - 123.713 170.865 124.417 -58.719 - 91.289 84.519 112.597 -67.410 - 109.672 3.619 140.863 132.127 - 103.748 -99.295 143.352 -37.599 - 120.940-169.762 116.249 126.150 - 125.606 175.484 148.041 -38.998 - 137.585 -79.315 0.000 0.000 - 95.505 37.885 0.000 0.000 - 91.797 50.749 131.653-155.756 - 92.059-179.701 113.009 -74.328 - 93.854 148.280 116.164 -76.690 - 115.046 169.661 0.000 0.000 - 134.634 -99.338 136.920 97.643 - 116.804-165.744 115.979-125.186 - 92.498 51.767 128.380-150.426 - 92.680 117.355 130.363-153.525 - 120.052 0.000 120.537 -81.768 - # 83 total E -4.77243E+01 rmsd from N 0.000 %NC 0.00 - 93.912 96.212 157.110-146.302 - 91.449 66.099 143.190-126.944 - 90.068 70.824 142.178 -91.403 - 90.224 52.880 140.642-100.078 - 90.709 41.102 111.870-100.716 - 92.981 61.104 104.487-127.797 - 92.205 -89.699 144.376-153.235 - 122.475-178.144 136.616 140.016 - 121.180 -71.210 111.907 -81.419 - 131.838 -67.562 0.000 0.000 - 120.855 -33.614 0.000 0.000 - 112.953-178.486 128.353-139.108 - 124.691 179.647 121.545 -79.649 - 122.594 -66.023 118.459 -79.301 - 127.267 -9.507 0.000 0.000 - 94.649 155.889 147.881 114.524 - 93.597 127.729 105.022-129.595 - 123.398-173.951 114.833-115.312 - 117.095 -13.995 128.397-137.660 - 119.046 0.000 120.447 -80.096 - # 84 total E -4.75638E+01 rmsd from N 0.000 %NC 0.00 - 93.702 7.497 104.792 -82.686 - 92.944 79.401 141.867-113.619 - 131.366-107.241 176.409 154.359 - 102.478 -50.186 172.303-170.817 - 91.316 87.698 126.492 -94.705 - 108.473 179.362 127.091 -26.693 - 115.741 -79.968 147.081 165.766 - 145.323 170.745 120.605 -77.077 - 91.721 -43.010 148.090 -23.803 - 94.099 162.862 0.000 0.000 - 143.787 -56.306 0.000 0.000 - 123.072 105.934 102.691-100.945 - 135.777-101.612 120.388 -84.995 - 93.707 13.609 115.377 -76.198 - 125.315 -35.377 0.000 0.000 - 125.532-107.343 104.827 -53.318 - 118.144-105.951 131.225-142.046 - 120.118-130.601 102.074 -98.391 - 120.406 121.852 120.610-124.802 - 93.445 0.000 110.939 -78.339 - # 85 total E -4.73362E+01 rmsd from N 0.000 %NC 0.00 - 93.583 105.663 143.005-130.083 - 116.968-169.554 168.580 -7.290 - 96.345 98.015 105.446 -91.230 - 118.201-115.556 122.788 -62.415 - 91.421 80.587 125.593 150.210 - 92.463 118.432 139.748 21.028 - 91.915 99.743 122.187-125.481 - 117.732-107.345 118.189-131.780 - 95.525 151.977 148.148 -21.798 - 122.796 177.132 0.000 0.000 - 93.936 44.437 0.000 0.000 - 90.588 47.899 99.649 -99.100 - 91.700-173.723 113.529 -77.666 - 115.715 170.121 131.443-177.810 - 133.339 -89.527 0.000 0.000 - 124.895-123.551 118.524 -40.609 - 116.007 12.161 122.745-132.711 - 123.783-146.430 109.061-107.245 - 121.274 2.449 123.991-129.810 - 93.386 0.000 115.224 -78.790 - # 86 total E -4.72466E+01 rmsd from N 0.000 %NC 0.00 - 93.986 129.631 142.363 -11.081 - 119.035-160.743 148.095 -10.578 - 123.659 -85.944 158.867 133.561 - 94.246 64.698 134.675-105.949 - 92.300-113.735 99.231 -79.947 - 92.794 107.114 116.396 -41.997 - 130.090 -84.887 165.002 -6.430 - 110.632 174.279 127.062-116.669 - 125.578-172.728 161.601-161.225 - 113.577 167.388 0.000 0.000 - 134.574 -43.937 0.000 0.000 - 118.082-158.310 112.944-115.236 - 123.549 165.698 120.579 -80.103 - 94.672 -71.583 112.676 -80.133 - 94.059 40.908 0.000 0.000 - 120.974 -77.962 140.929 -42.859 - 115.251-167.744 114.541-121.004 - 92.392 52.060 108.762-119.904 - 92.853 101.701 103.707-111.835 - 93.349 0.000 112.512 -76.648 - # 87 total E -4.72101E+01 rmsd from N 0.000 %NC 0.00 - 118.133-163.777 146.010 -16.721 - 106.809 172.309 145.426 -30.606 - 93.454 82.091 128.669-113.529 - 92.334 59.069 139.363-100.731 - 91.874 146.822 97.578 -72.559 - 109.326 126.596 135.676 126.770 - 126.472 -97.609 166.608 -4.989 - 127.467-169.949 134.567-120.787 - 94.267 43.338 108.001 -80.303 - 125.386 79.746 0.000 0.000 - 129.627 -49.419 0.000 0.000 - 115.383 -77.771 126.679-135.231 - 117.057 84.279 119.549 -79.203 - 116.718 178.975 143.564 -40.567 - 129.125 173.220 0.000 0.000 - 129.911 -88.029 135.637-158.537 - 121.440-165.420 114.383-117.719 - 124.706-138.966 106.720-101.862 - 116.948-137.775 123.516-130.810 - 125.720 0.000 124.608 -86.810 - # 88 total E -4.70265E+01 rmsd from N 0.000 %NC 0.00 - 119.451-121.461 111.255 -81.042 - 116.902 174.099 147.229 -17.520 - 115.270 108.158 132.577-124.274 - 130.729 -94.717 131.477 -81.750 - 91.841 131.465 104.148 -39.668 - 136.299-106.305 78.339-102.579 - 92.014 133.002 148.671 -46.805 - 130.544 -71.168 140.961-175.095 - 117.456 -50.888 108.594 -79.940 - 96.792 99.514 0.000 0.000 - 95.449 154.876 0.000 0.000 - 117.281 159.993 125.914-133.962 - 126.212 174.109 122.765 -81.985 - 94.427 58.359 115.802 -76.346 - 137.109 -31.527 0.000 0.000 - 118.302 -68.388 150.847-171.555 - 111.700-160.552 97.731 -92.466 - 102.162-169.891 102.909-106.985 - 118.376 -12.580 125.364-133.973 - 119.039 0.000 120.436 -80.332 - # 89 total E -4.70188E+01 rmsd from N 0.000 %NC 0.00 - 94.279 133.990 130.068 15.804 - 91.912 88.104 156.008-136.735 - 107.720-143.243 123.796 -42.580 - 92.925 61.467 131.414-113.361 - 90.875 158.626 157.440 -6.131 - 92.258 105.248 119.041 3.732 - 92.392 -87.832 133.405-110.460 - 92.960 117.835 120.410-165.659 - 114.499 -83.693 150.668 -17.729 - 124.753 -63.773 0.000 0.000 - 119.355-170.018 0.000 0.000 - 93.386 85.249 97.243-105.411 - 122.273 -96.108 143.146-144.758 - 127.499-175.854 122.236 -80.320 - 126.976 171.886 0.000 0.000 - 128.989-103.751 108.744 -52.583 - 116.802-108.314 124.252-134.687 - 113.541-139.522 99.986 -87.115 - 93.098 86.844 103.554-110.506 - 93.381 0.000 121.695-114.743 - # 90 total E -4.69375E+01 rmsd from N 0.000 %NC 0.00 - 93.627 47.305 143.498-129.971 - 93.097 166.184 164.899-147.527 - 125.811 -88.017 150.615 3.560 - 120.503-173.148 165.458-142.240 - 125.984-171.495 145.689 -90.976 - 114.032-167.999 130.009 -38.626 - 117.588 178.077 140.884-154.458 - 92.348 101.355 123.263 141.516 - 93.918 21.282 103.947 -81.728 - 124.265 -57.412 0.000 0.000 - 109.000 -34.911 0.000 0.000 - 104.066 174.814 129.408-145.977 - 125.708-171.141 129.683 -84.954 - 123.548-172.828 121.836 -79.429 - 122.153 51.603 0.000 0.000 - 125.039-100.631 119.791 -46.675 - 120.944 132.412 116.365-120.493 - 123.185-173.768 116.190-116.611 - 116.788 -13.841 128.559-137.780 - 119.129 0.000 120.443 -80.090 - # 91 total E -4.69014E+01 rmsd from N 0.000 %NC 0.00 - 93.685 89.095 110.004 -82.348 - 117.092 177.605 159.432-151.718 - 116.992 160.859 155.885 -3.146 - 93.900 81.645 139.425-112.169 - 91.933 -82.011 105.642 -36.322 - 125.307-169.066 155.835 168.432 - 117.649 176.122 152.651 -12.194 - 105.799 -58.154 105.386 67.483 - 92.844 37.976 142.391-136.082 - 123.503-166.871 0.000 0.000 - 138.077 -51.194 0.000 0.000 - 120.675 177.163 119.666-122.940 - 124.544 178.305 120.593 -80.739 - 125.247 -64.594 120.968 -79.751 - 126.963 -22.083 0.000 0.000 - 126.486 -78.995 141.874 177.047 - 120.383-162.889 114.653-118.756 - 122.515-139.242 110.830-108.275 - 117.594-118.702 125.666-132.798 - 120.971 0.000 148.093-112.086 - # 92 total E -4.68186E+01 rmsd from N 0.000 %NC 0.00 - 93.615 48.468 144.125-132.751 - 93.066 168.457 141.001 -39.511 - 113.190 172.870 116.010 -67.389 - 111.198 111.426 134.767-112.105 - 122.875-100.186 115.390 -88.812 - 114.767-173.335 134.405 -37.091 - 121.250 177.474 143.488-145.674 - 123.927 176.772 147.734 -89.492 - 95.561 168.266 154.486 -27.322 - 139.830 16.186 0.000 0.000 - 116.984 -15.867 0.000 0.000 - 91.067 75.510 102.329-101.702 - 91.818 -57.900 108.491 -77.194 - 131.931-162.790 127.974 -78.850 - 94.735 96.648 0.000 0.000 - 128.350 -80.376 102.233 -81.035 - 104.842 137.329 100.742-119.018 - 93.121 130.720 100.264-102.467 - 104.759-104.755 103.614-116.001 - 120.118 0.000 139.613-125.825 - # 93 total E -4.65705E+01 rmsd from N 0.000 %NC 0.00 - 93.751 8.977 148.133 -31.569 - 118.521-101.750 150.501-135.213 - 125.642-173.630 151.000 11.653 - 117.146-165.630 164.550-147.750 - 114.908-176.539 136.720 97.207 - 130.555-174.354 147.864 164.969 - 124.638 -92.512 154.486 -13.332 - 123.629-149.093 135.639-121.895 - 94.024 35.478 148.603 -23.171 - 95.820 54.234 0.000 0.000 - 122.355 -27.405 0.000 0.000 - 119.284-151.802 111.881-112.598 - 93.800 102.630 115.243 -77.209 - 112.417-100.308 117.647 -79.693 - 116.718 177.392 0.000 0.000 - 131.188 -98.194 146.127-166.474 - 104.907 142.571 99.100-115.049 - 123.834-141.565 109.411-107.394 - 118.844-113.520 125.309-131.730 - 120.317 0.000 143.745-115.617 - # 94 total E -4.65005E+01 rmsd from N 0.000 %NC 0.00 - 116.995 161.075 140.591 -11.388 - 92.438 110.103 152.529-142.063 - 126.755 -86.203 151.635 -0.491 - 91.794 62.315 143.284-100.370 - 90.789 33.614 121.056 -43.778 - 93.787 71.851 127.754 -42.211 - 92.347 -51.883 147.474-168.041 - 119.384 169.959 128.652-116.913 - 94.888 -53.358 137.979-122.835 - 140.362 -55.400 0.000 0.000 - 121.015 -18.789 0.000 0.000 - 102.127-174.816 99.648 -92.402 - 132.063-175.610 119.903 -86.828 - 94.309 72.665 115.783 -76.248 - 130.613 -56.252 0.000 0.000 - 92.600 81.639 122.819-148.764 - 119.963-167.446 108.645-112.204 - 128.590-138.798 108.130-102.431 - 111.837 126.660 133.839-150.275 - 93.422 0.000 110.263 -77.181 - # 95 total E -4.63733E+01 rmsd from N 0.000 %NC 0.00 - 116.468-143.082 151.866-150.403 - 120.153-176.706 167.670 -13.095 - 111.987-158.208 130.238 -45.974 - 122.358-111.072 162.164-175.668 - 92.961 125.139 121.634-111.363 - 124.592-100.459 147.309-143.218 - 93.505 24.734 159.443-147.943 - 94.160 61.302 134.286-133.943 - 93.863 -15.538 150.728-125.504 - 117.194-145.077 0.000 0.000 - 93.267 78.008 0.000 0.000 - 91.360 64.744 91.130 -96.497 - 92.411 178.340 108.643 -75.332 - 94.131 64.445 115.850 -77.190 - 129.692 -77.342 0.000 0.000 - 115.390-177.765 136.596 -94.680 - 122.220-134.943 119.158-124.318 - 103.356 132.925 120.387-129.872 - 120.555 158.182 118.524-122.322 - 120.319 0.000 120.811 -80.325 - # 96 total E -4.61206E+01 rmsd from N 0.000 %NC 0.00 - 116.285-153.282 152.418-149.856 - 123.485 -98.099 153.369 -16.685 - 115.623-170.787 145.542 -41.808 - 93.469 61.995 159.543-161.608 - 91.228-160.696 111.595 -26.196 - 120.705 175.248 150.139 152.942 - 117.058-179.781 159.299 -20.310 - 124.917 174.202 136.927 153.829 - 124.062 -69.822 110.739 -78.570 - 125.061 68.077 0.000 0.000 - 138.321 -50.443 0.000 0.000 - 118.342-147.351 124.844-130.699 - 121.701-174.152 135.581 -31.149 - 94.539 81.383 115.843 -76.342 - 135.271 -78.943 0.000 0.000 - 110.336 173.552 128.761 -84.862 - 93.764 127.720 103.959-142.433 - 102.129-110.715 100.615-101.173 - 118.822-111.241 117.249-121.143 - 120.096 0.000 137.353-132.659 - # 97 total E -4.59482E+01 rmsd from N 0.000 %NC 0.00 - 113.275 -40.414 151.437-148.250 - 92.957 109.026 154.653-152.352 - 125.082 -95.744 153.280 0.978 - 129.394-174.767 154.280 -42.563 - 91.976 -67.005 103.493-106.832 - 110.482-176.715 133.687 -32.581 - 118.099-178.481 146.770-160.150 - 126.059 171.830 110.641-113.228 - 124.813 176.515 151.902 -17.296 - 133.566 -87.629 0.000 0.000 - 137.491 -72.439 0.000 0.000 - 92.744 55.718 131.626-155.210 - 92.950 59.327 113.511 -76.334 - 116.910 168.105 115.649 -81.695 - 113.050 57.896 0.000 0.000 - 123.048 -89.382 98.693 -59.042 - 117.198-112.993 124.675-134.911 - 113.516-113.893 99.229 -86.397 - 111.290 15.439 127.053-139.527 - 93.352 0.000 114.339 -77.372 - # 98 total E -4.57249E+01 rmsd from N 0.000 %NC 0.00 - 93.609 47.250 143.474-131.457 - 93.381 -82.792 144.544 -35.391 - 125.593-172.317 108.126 -88.800 - 117.806 -91.165 135.079 -88.182 - 115.029 174.221 135.427 -23.083 - 114.963 169.025 102.371-141.802 - 92.522 83.073 141.713 -96.692 - 111.425 167.151 115.581-126.317 - 117.113 -62.215 111.665 -73.836 - 119.163 -22.973 0.000 0.000 - 99.585 -48.746 0.000 0.000 - 92.002 76.767 129.365-152.219 - 141.997 -89.175 120.550 -81.431 - 106.526 -49.874 116.118 -77.009 - 95.846 76.895 0.000 0.000 - 127.046 -90.730 120.586-131.322 - 120.288-109.800 113.896-116.892 - 116.951-137.998 129.523-137.586 - 113.342-117.694 97.976 -86.396 - 121.527 0.000 121.352 -80.359 - # 99 total E -4.55946E+01 rmsd from N 0.000 %NC 0.00 - 116.700-141.024 152.480-148.833 - 122.033-178.874 157.920-153.689 - 123.344 173.678 153.347 -2.329 - 117.271 175.154 160.785-121.090 - 121.325 172.789 159.255-106.698 - 110.897 167.397 130.557 -33.015 - 106.717 57.738 134.560-140.596 - 108.658-108.819 124.745 146.830 - 118.109 164.604 114.970 -73.863 - 138.933 -82.123 0.000 0.000 - 109.719 -22.217 0.000 0.000 - 104.984-179.040 126.024-139.807 - 125.498 -74.620 122.153 -83.761 - 93.648 25.517 113.812 -76.275 - 120.297 -66.989 0.000 0.000 - 110.723-170.335 122.457 -35.937 - 112.748-144.795 102.437 -88.352 - 110.147 132.524 118.529-127.326 - 93.325 84.445 104.139-111.633 - 93.394 0.000 113.846 -78.852 - # 100 total E -4.47249E+01 rmsd from N 0.000 %NC 0.00 - 118.994 -93.074 112.006 -79.631 - 114.876 166.233 143.350 -40.421 - 126.077 102.257 162.265-172.815 - 119.077 -83.124 167.247-157.615 - 91.037 79.028 111.764 -25.654 - 91.734 96.116 85.169 -83.636 - 92.085 150.466 126.177 -94.832 - 92.351 92.905 138.424-125.871 - 91.311 -64.962 140.943-118.333 - 105.963 -56.630 0.000 0.000 - 98.665 -32.859 0.000 0.000 - 92.427 90.541 133.733-158.627 - 128.812-106.851 115.792 -80.897 - 117.309 110.213 145.900 -66.216 - 132.396 -91.096 0.000 0.000 - 117.386 178.901 122.845 -73.606 - 93.789 117.850 103.590-135.502 - 92.448 51.745 109.212-119.599 - 112.925-119.486 118.778-127.270 - 120.754 0.000 146.821-116.819 - # 101 total E -4.46613E+01 rmsd from N 0.000 %NC 0.00 - 118.349-148.446 148.369 -19.689 - 116.984 177.961 157.263 -18.595 - 94.012 73.527 144.117-106.608 - 93.077 62.918 136.773 -83.690 - 91.849 58.042 131.267 -84.994 - 111.790 -85.855 110.106-140.067 - 118.809-163.109 157.403 -12.502 - 123.193 -72.787 122.999 143.732 - 125.784 60.731 113.186 -80.250 - 122.041 -45.694 0.000 0.000 - 93.632 -41.975 0.000 0.000 - 93.118 156.217 132.253-155.964 - 120.900 164.476 147.307-110.742 - 132.526 -98.181 159.297 -98.996 - 95.929 166.376 0.000 0.000 - 128.144-113.434 120.159 -48.904 - 118.991 131.335 122.318-132.773 - 106.115-111.917 101.433 -96.771 - 117.449-119.448 126.071-134.647 - 120.841 0.000 148.224-112.967 - # 102 total E -4.45928E+01 rmsd from N 0.000 %NC 0.00 - 93.635 123.020 144.142-135.028 - 120.952-106.918 144.164 -90.512 - 91.372 73.349 126.509 -44.790 - 90.436 60.501 134.574-101.015 - 90.342 38.006 94.532 -87.179 - 105.660 -72.482 148.044 36.681 - 126.114-159.487 163.520-175.642 - 131.119 -98.667 131.998 -74.781 - 123.981 179.388 111.209 -88.817 - 138.839 -60.367 0.000 0.000 - 94.980 14.737 0.000 0.000 - 102.705 -79.433 130.390-148.373 - 114.000 64.921 145.539 -92.602 - 124.836 144.366 121.273 -79.946 - 124.210 25.281 0.000 0.000 - 116.499-160.011 106.568 -44.910 - 125.512-168.942 115.022-115.079 - 98.430-170.982 105.408-104.756 - 116.237 142.172 130.723-145.119 - 119.772 0.000 120.009 -80.586 - # 103 total E -4.45841E+01 rmsd from N 0.000 %NC 0.00 - 117.280-163.278 147.984 -23.507 - 117.708-178.204 148.167 -18.195 - 124.876 175.528 163.853 174.471 - 135.073 177.064 155.471 -18.856 - 91.224 77.837 126.893-147.042 - 106.193 172.787 130.750 -11.748 - 118.683 179.036 146.446-157.497 - 124.046-177.283 135.265 129.564 - 122.105-178.057 111.325 -81.325 - 126.421 172.199 0.000 0.000 - 134.438 -57.252 0.000 0.000 - 117.944 176.158 125.297-131.506 - 125.532-179.374 120.977 -80.709 - 125.674-177.687 122.060 -77.752 - 121.412 169.337 0.000 0.000 - 129.533-103.174 116.451-127.165 - 100.305 134.072 101.140-118.609 - 121.370-173.340 118.282-122.270 - 93.946 25.715 130.474-153.770 - 117.907 0.000 146.673 -98.035 - # 104 total E -4.44967E+01 rmsd from N 0.000 %NC 0.00 - 116.275-147.231 151.669-144.332 - 118.446 173.712 150.193 -24.365 - 110.831 158.351 121.022-119.479 - 95.549 86.222 161.915-147.762 - 91.617 -79.513 120.917 -18.089 - 94.129 144.696 132.187 -45.257 - 118.192 -94.641 141.975-137.692 - 126.230-173.639 135.653-139.857 - 123.084-174.230 148.843 -19.277 - 95.130 97.382 0.000 0.000 - 98.072 47.970 0.000 0.000 - 96.534 -77.162 126.207-144.863 - 92.998 -25.492 114.583 -76.317 - 96.136 79.413 115.481 -76.729 - 136.237-158.575 0.000 0.000 - 132.466 -85.522 124.847 -46.400 - 117.494-160.143 123.318-133.075 - 92.083 50.766 107.896-103.832 - 92.451 117.771 130.026-152.702 - 120.699 0.000 119.183 -83.920 - # 105 total E -4.44806E+01 rmsd from N 0.000 %NC 0.00 - 93.632 17.502 144.059-132.716 - 117.661-178.125 151.940 -16.500 - 113.751 171.568 170.101 175.485 - 92.809 86.038 136.923-109.001 - 91.048 -47.882 95.531 -73.578 - 114.094 173.746 137.486 -45.156 - 91.559 71.020 129.033-112.383 - 92.807 178.985 99.061-117.280 - 117.827 177.388 113.393 -85.331 - 137.803 -59.584 0.000 0.000 - 92.048 53.462 0.000 0.000 - 90.819 48.493 80.846 -82.165 - 92.819 178.335 112.527 -74.490 - 109.980 -83.112 118.029 -78.358 - 123.392-178.878 0.000 0.000 - 125.297 -97.442 133.057 154.342 - 113.921 38.437 122.600-134.205 - 92.938 115.721 104.450-113.893 - 93.000 122.421 105.248-119.432 - 121.075 0.000 120.287 -84.015 - # 106 total E -4.44270E+01 rmsd from N 0.000 %NC 0.00 - 119.558-135.395 107.105 -75.916 - 117.570 173.321 156.552-149.564 - 129.592 -77.634 150.856 -2.389 - 113.495 -32.846 171.042-161.843 - 105.098-173.648 136.991-137.977 - 124.329-175.664 140.571-127.025 - 112.590 176.335 155.327 -91.190 - 93.749 98.471 123.666-147.775 - 112.968 -87.431 150.564 -19.866 - 122.728 -0.246 0.000 0.000 - 113.620 -42.472 0.000 0.000 - 101.109 160.024 96.839 -91.297 - 94.659 154.469 113.134 -76.808 - 116.505 -80.631 115.238 -82.379 - 95.019 61.150 0.000 0.000 - 126.925 -86.425 101.738 -84.165 - 113.959 136.959 118.406-128.329 - 128.327-172.671 110.344-106.310 - 104.736 158.288 100.584 -97.206 - 120.613 0.000 118.318 -82.338 - # 107 total E -4.44239E+01 rmsd from N 0.000 %NC 0.00 - 93.596 0.165 143.682-131.029 - 111.034 113.390 146.527 -33.139 - 135.288 -89.671 114.487 -78.471 - 109.810 -57.278 159.145 156.603 - 91.234 -8.558 107.569 -40.687 - 117.165 100.020 176.485 160.444 - 131.179-102.516 128.881 -86.180 - 127.893-168.614 121.007-119.615 - 118.389 -69.665 154.808-145.494 - 138.604 -68.769 0.000 0.000 - 95.770 2.186 0.000 0.000 - 110.096-149.721 129.299-142.198 - 125.610-166.332 154.010-104.648 - 122.129 0.024 148.499 -70.435 - 129.163 -73.916 0.000 0.000 - 126.041-112.739 147.393 159.643 - 117.997-107.356 124.131-135.657 - 114.021-140.221 98.891 -89.160 - 113.827 132.821 128.750-140.669 - 119.897 0.000 118.851 -81.796 - # 108 total E -4.43683E+01 rmsd from N 0.000 %NC 0.00 - 119.143-118.576 112.166 -82.843 - 117.333 114.560 157.758-136.564 - 124.120 -77.378 128.638-123.957 - 105.979 -46.152 169.945-144.390 - 124.776-175.380 145.848-132.214 - 119.444 171.353 103.117-132.632 - 91.202 72.033 144.331 -40.712 - 91.113 64.863 105.004-130.759 - 92.826 162.082 103.093 -90.453 - 131.292 -62.441 0.000 0.000 - 104.839 -15.621 0.000 0.000 - 98.581 -47.009 89.241 -76.530 - 93.432 -12.866 108.939 -73.424 - 111.724 -48.380 113.478 -79.819 - 110.974 -6.771 0.000 0.000 - 115.616 -59.929 136.375 153.796 - 118.334-145.970 109.444-111.852 - 119.331-167.674 122.079-127.801 - 107.628 -4.958 99.054 -88.274 - 93.485 0.000 134.864-104.511 - # 109 total E -4.43265E+01 rmsd from N 0.000 %NC 0.00 - 118.793-142.428 111.310 -82.280 - 120.418 178.929 148.444 -18.210 - 127.634-107.164 137.396-127.850 - 93.992 86.981 139.795 -99.983 - 91.708 -84.748 97.360 -83.627 - 105.437-171.920 139.746 -50.161 - 121.104 -59.500 163.141 -10.197 - 91.628 81.998 130.380-116.956 - 92.539 20.957 98.334 -81.423 - 96.200 179.876 0.000 0.000 - 119.703 -30.392 0.000 0.000 - 108.259 178.751 128.512-141.757 - 125.750 177.497 121.143 -84.605 - 126.147 -94.196 121.134 -79.722 - 124.073-178.376 0.000 0.000 - 129.375 -97.957 138.849 165.911 - 122.793 134.484 117.641-122.188 - 123.820-172.109 117.013-117.667 - 110.624-107.546 98.597 -91.485 - 94.560 0.000 116.245 -77.166 - # 110 total E -4.42798E+01 rmsd from N 0.000 %NC 0.00 - 93.605 45.198 143.472-131.351 - 92.951 109.398 144.303 -34.944 - 130.975-100.136 162.786 168.939 - 122.231-171.868 143.877 -93.496 - 118.894-178.431 147.494-128.241 - 135.855-174.059 116.196-131.750 - 106.703 102.958 144.148 -84.711 - 123.683 -96.706 123.811-134.019 - 122.197 176.869 151.277 -16.603 - 137.985 -74.693 0.000 0.000 - 126.550 -30.428 0.000 0.000 - 93.328 89.047 131.712-155.057 - 124.982 -73.722 121.055 -80.436 - 121.482 -59.377 119.487 -79.308 - 96.114 20.512 0.000 0.000 - 138.387-179.759 134.915-118.338 - 124.102 130.428 117.225-121.570 - 99.879-171.992 131.450-152.557 - 104.966 -13.290 100.653 -78.629 - 118.664 0.000 119.664 -79.643 - # 111 total E -4.38980E+01 rmsd from N 0.000 %NC 0.00 - 93.724 34.236 107.568 -80.232 - 92.783 157.044 138.409 -37.745 - 93.193 88.330 99.212 -87.697 - 126.361 -87.837 164.044-164.322 - 123.733-160.563 150.885 -42.146 - 115.633 172.220 176.488 26.354 - 94.080 118.968 148.414-148.743 - 116.547 -83.050 142.172-140.927 - 122.902 -64.820 150.488 -19.651 - 96.134 67.035 0.000 0.000 - 94.631 71.412 0.000 0.000 - 128.498 72.041 95.921 -87.859 - 120.281 170.496 155.370-112.459 - 94.096 62.715 112.234 -76.323 - 145.274 -62.894 0.000 0.000 - 93.644 71.144 87.122-118.876 - 122.803-170.030 117.833-123.110 - 129.154-169.000 109.010-101.981 - 93.409 83.875 103.239-115.461 - 117.915 0.000 141.101-145.858 - # 112 total E -4.38276E+01 rmsd from N 0.000 %NC 0.00 - 116.963-170.513 146.859 -25.774 - 115.011 173.711 148.134 -19.694 - 114.406 118.173 152.384-126.889 - 120.046-106.652 132.882 -85.965 - 129.462-174.082 153.919-136.350 - 111.761 178.713 139.603 -20.970 - 121.992-178.327 144.496-161.001 - 122.071-176.830 143.309-105.260 - 121.667 175.906 160.893-151.832 - 131.771 -68.057 0.000 0.000 - 131.968 -39.476 0.000 0.000 - 105.460 -32.548 124.782-137.402 - 91.107 99.910 134.472-157.481 - 91.704 -5.602 108.352 -78.087 - 103.417 -80.712 0.000 0.000 - 123.857-118.402 121.600 -44.484 - 117.607-169.870 127.007-140.319 - 92.726 51.385 130.921-151.717 - 93.321 35.636 130.150-153.112 - 93.346 0.000 116.291 -77.017 - # 113 total E -4.38165E+01 rmsd from N 0.000 %NC 0.00 - 114.538 174.492 147.952 -36.788 - 119.286 167.334 148.361 -18.945 - 110.477 -64.445 121.370-122.125 - 93.408 3.721 142.563 -91.342 - 127.417-106.193 131.496 -55.138 - 91.873 94.782 146.885 116.630 - 91.043 65.772 147.345 -36.026 - 91.111 47.093 132.707-137.885 - 92.507 118.543 139.167-106.061 - 129.090 20.670 0.000 0.000 - 105.092 -34.122 0.000 0.000 - 94.048 -44.442 126.248-146.435 - 92.306 95.747 115.375 -76.182 - 127.797-110.309 116.566 -82.946 - 97.187 152.925 0.000 0.000 - 92.064 74.059 137.858-119.961 - 126.123-167.897 115.574-120.023 - 105.956-168.496 101.289 -93.458 - 93.440 70.657 104.285-109.160 - 93.405 0.000 129.065-126.974 - # 114 total E -4.34932E+01 rmsd from N 0.000 %NC 0.00 - 116.457-151.175 152.635-149.080 - 123.980 -95.741 157.512-143.452 - 126.706-172.333 116.960 -85.540 - 115.794-178.134 136.574 -84.441 - 92.361 -61.677 126.511-127.896 - 115.487-164.107 103.321 -75.841 - 123.460 -76.352 135.099-122.872 - 104.958 -39.076 124.748-138.616 - 94.204 86.786 109.302 -84.259 - 131.355 16.237 0.000 0.000 - 93.290 44.440 0.000 0.000 - 91.912 59.444 101.084-104.381 - 92.628 -70.739 111.042 -75.788 - 116.979 -56.000 118.199 -78.901 - 108.810 -17.158 0.000 0.000 - 117.558-108.738 107.078 -47.351 - 116.908-107.485 134.635-151.231 - 119.429-139.521 110.035-108.286 - 93.240 75.765 102.610-106.775 - 93.303 0.000 112.141 -77.916 - # 115 total E -4.32963E+01 rmsd from N 0.000 %NC 0.00 - 115.641-163.062 151.608-148.168 - 123.233-106.680 142.790 -99.872 - 95.391 118.535 176.472 172.732 - 122.379-178.976 143.687 -81.806 - 125.903-168.643 141.865 -98.665 - 115.978-177.043 134.149 -37.590 - 123.990-176.018 144.864-147.891 - 93.520 151.667 134.842-118.745 - 114.817 -68.337 151.341-143.481 - 114.416 3.517 0.000 0.000 - 116.406 -35.892 0.000 0.000 - 113.483 171.032 128.490-139.021 - 122.260-177.649 118.795 -77.149 - 119.658 174.224 147.272 -68.701 - 130.622 175.651 0.000 0.000 - 125.025-122.400 117.447 -40.648 - 116.564-171.005 120.289-131.529 - 93.040 50.155 110.880-107.940 - 108.887 -18.005 131.821-147.735 - 93.468 0.000 115.167 -76.066 - # 116 total E -4.32873E+01 rmsd from N 0.000 %NC 0.00 - 93.793 126.143 148.903 -25.795 - 119.805-123.962 157.985 -24.317 - 94.007 60.144 175.252-178.448 - 92.251 64.712 129.715 -90.575 - 90.823 23.592 117.758 -91.917 - 101.352 -94.699 88.778-111.100 - 120.127 -78.879 149.403-147.181 - 92.999 87.076 119.969-147.633 - 93.268 -83.002 104.371 -82.835 - 118.877-167.284 0.000 0.000 - 95.119 85.169 0.000 0.000 - 103.594 -41.902 131.775-152.470 - 93.908 74.069 115.109 -76.478 - 94.588-178.492 120.486 -79.009 - 113.574 157.579 0.000 0.000 - 93.420 82.412 104.700 35.650 - 132.487-165.517 116.505-111.940 - 105.739 139.338 118.406-128.872 - 121.570 157.503 119.076-123.443 - 120.384 0.000 119.823 -80.793 - # 117 total E -4.31390E+01 rmsd from N 0.000 %NC 0.00 - 93.850 92.378 154.077-131.087 - 92.166 77.495 146.347-113.026 - 93.017 110.972 164.363 7.138 - 114.822 -95.229 153.521-137.812 - 116.419 174.424 152.325-109.917 - 121.328 179.205 106.658-143.912 - 111.465 177.469 140.644 -33.568 - 106.571 169.499 122.597 144.768 - 122.593 172.716 96.196 -85.413 - 96.512 63.349 0.000 0.000 - 94.886 25.932 0.000 0.000 - 97.921-166.223 99.771 -64.043 - 91.752 82.223 136.689-166.200 - 93.852 124.049 110.186 -76.588 - 131.107 -74.499 0.000 0.000 - 93.045 70.271 118.835 -55.850 - 104.923-107.460 91.773-117.359 - 117.646-144.249 113.640-115.750 - 113.427 -3.535 133.835-148.378 - 118.304 0.000 146.051-103.176 - # 118 total E -4.28641E+01 rmsd from N 0.000 %NC 0.00 - 93.714 17.893 108.691 -80.003 - 114.480 174.962 148.700 -27.542 - 112.760 164.002 146.501-105.668 - 92.649 59.383 139.692-106.565 - 91.065 166.211 123.897 -49.923 - 109.156 176.500 126.128 26.642 - 116.070 -82.402 150.382-169.676 - 128.191-171.588 139.854-128.809 - 121.554-177.539 109.686 -79.112 - 126.369 172.307 0.000 0.000 - 134.356 -57.002 0.000 0.000 - 117.388 176.934 126.287-133.242 - 124.220-179.374 147.062-101.365 - 124.802-176.831 123.039 -78.007 - 95.294 83.583 0.000 0.000 - 123.084 -80.653 106.646-122.458 - 117.980-166.925 118.579-126.605 - 92.978 52.079 128.349-149.825 - 93.381 26.039 130.274-153.359 - 93.368 0.000 117.313 -76.908 - # 119 total E -4.28261E+01 rmsd from N 0.000 %NC 0.00 - 112.807 -38.183 150.767-148.185 - 94.521 172.578 134.738 -27.122 - 104.535 172.530 137.366-116.786 - 126.108 177.513 127.724 -61.475 - 91.352 70.917 118.442-130.532 - 119.840 -91.267 105.553-138.035 - 118.887-174.911 158.619 -19.783 - 124.605-176.075 135.479 148.495 - 121.717-177.952 150.236 -20.232 - 125.904 172.273 0.000 0.000 - 130.855 -48.751 0.000 0.000 - 93.387 79.879 131.566-154.882 - 122.561 -93.072 118.773 -79.890 - 125.854-173.191 147.393 -43.344 - 95.801 144.880 0.000 0.000 - 128.877 -82.041 137.590 -46.556 - 114.387-142.187 98.932 -88.047 - 113.755 138.663 117.790-124.295 - 120.851 157.762 120.233-125.088 - 120.366 0.000 119.947 -80.834 - # 120 total E -4.27276E+01 rmsd from N 0.000 %NC 0.00 - 93.556 56.012 138.548-103.618 - 121.889 -94.067 153.596-169.953 - 131.456-179.445 110.729 -77.253 - 91.390 74.092 124.049-105.897 - 90.672 17.806 92.309 -94.437 - 103.123 -89.335 156.314 30.627 - 129.024-169.050 156.241-164.762 - 122.838-171.798 121.818 -99.069 - 114.920 18.582 150.776 -19.775 - 117.743-162.551 0.000 0.000 - 136.861 -44.661 0.000 0.000 - 93.471 79.524 128.806-151.959 - 122.082 -94.483 118.834 -79.361 - 123.688 -63.687 116.846 -77.548 - 120.920 -17.073 0.000 0.000 - 110.114 -64.361 141.417 -41.002 - 95.888 136.975 101.012-107.303 - 105.931-111.996 92.419-102.146 - 117.197-123.423 125.910-134.491 - 122.441 0.000 122.686 -81.526 - # 121 total E -4.24863E+01 rmsd from N 0.000 %NC 0.00 - 116.303-172.531 150.436 -23.176 - 120.068 114.950 159.389-137.045 - 130.924-102.429 101.391 -92.063 - 123.812-174.027 167.083-120.687 - 113.952-179.142 127.907 -5.098 - 124.501-178.719 153.223-173.450 - 119.646-177.530 158.700 -16.499 - 123.826-177.027 118.482-120.160 - 122.081-177.932 113.214 -77.780 - 126.351 171.850 0.000 0.000 - 134.133 -59.079 0.000 0.000 - 115.311 106.667 128.560-138.026 - 127.478-100.165 120.846 -80.509 - 127.294-175.456 122.039 -80.219 - 127.346 174.726 0.000 0.000 - 128.492 -84.203 140.633 -46.049 - 119.588-161.745 119.062-125.686 - 93.800 119.352 106.928-104.449 - 120.189 155.919 119.274-123.738 - 93.790 0.000 114.985 -77.559 - # 122 total E -4.23029E+01 rmsd from N 0.000 %NC 0.00 - 93.640 106.286 144.488-135.009 - 109.290 161.951 122.304 -66.353 - 94.401 89.887 105.847 -87.158 - 123.539 -78.069 161.312-176.253 - 92.012 108.868 113.974 -7.997 - 138.813 33.426 126.605-109.687 - 129.028 -78.211 164.440 -5.429 - 127.429 179.416 145.499 143.105 - 93.994 25.520 139.049-110.770 - 134.716-140.168 0.000 0.000 - 93.058 43.901 0.000 0.000 - 92.019 102.171 131.431-155.315 - 125.441 -88.283 118.564 -77.695 - 125.579 -60.843 117.018 -79.516 - 128.790 -3.092 0.000 0.000 - 94.190 157.494 151.948 52.274 - 132.048 142.188 122.579-122.913 - 134.225-171.176 106.153 -94.003 - 122.966 -13.675 116.932-119.016 - 119.144 0.000 120.300 -80.378 - # 123 total E -4.22409E+01 rmsd from N 0.000 %NC 0.00 - 114.971 -40.724 107.557 -81.518 - 93.216 161.465 135.049 -79.614 - 127.915 105.696 162.519 163.744 - 91.310 -50.695 166.720 167.470 - 90.551 -30.866 118.134 -78.111 - 111.561-166.478 138.305 -23.888 - 124.817-179.364 174.811 -7.904 - 119.541 178.940 123.033-128.765 - 120.732 -66.249 159.718-158.666 - 126.294-166.631 0.000 0.000 - 106.437 -19.149 0.000 0.000 - 95.705 -54.179 126.187-143.727 - 92.895 -1.642 114.647 -76.248 - 120.196 -56.941 120.025 -79.567 - 130.113 74.445 0.000 0.000 - 126.309 -85.746 113.658 -57.475 - 118.009-109.414 116.140-120.517 - 118.680-138.705 113.575-114.745 - 116.898-118.662 129.408-138.566 - 121.778 0.000 121.664 -80.806 - # 124 total E -4.22304E+01 rmsd from N 0.000 %NC 0.00 - 115.647-110.318 145.332 -99.546 - 122.609 -93.706 149.967-139.626 - 126.824 178.197 148.891 27.191 - 127.727 -18.586 163.035 166.087 - 90.697 -53.766 97.320 -57.976 - 92.242 112.281 150.054 -87.101 - 118.821-128.488 121.277 -79.653 - 93.168 96.766 116.361-159.084 - 132.090 13.088 168.850-169.530 - 139.014-159.653 0.000 0.000 - 94.730 44.623 0.000 0.000 - 113.267 172.047 128.683-139.305 - 123.395 179.883 119.989 -77.314 - 124.714-178.903 149.299 -66.439 - 127.423 175.264 0.000 0.000 - 128.484 -78.746 142.492 -47.454 - 118.942-143.522 117.901-123.841 - 101.717 141.284 104.857-100.673 - 120.685-113.114 119.625-125.304 - 94.770 0.000 135.743-126.329 - # 125 total E -4.19310E+01 rmsd from N 0.000 %NC 0.00 - 116.949-137.548 153.290-150.211 - 122.503-171.517 148.517 -10.845 - 107.705-173.977 139.295-116.378 - 133.392 177.863 150.932 -50.651 - 91.670 -74.185 115.615 -61.072 - 92.860 95.947 151.043 104.349 - 92.917 22.907 141.453 -91.984 - 124.807-108.993 119.640-113.277 - 120.078-177.901 108.808 -76.693 - 141.079-170.385 0.000 0.000 - 92.441 47.618 0.000 0.000 - 91.499 41.734 90.091 -87.028 - 95.533 -96.209 127.716-106.099 - 117.652-178.196 141.874 -36.845 - 136.062 179.645 0.000 0.000 - 92.725 84.735 115.139-168.535 - 108.189-162.562 93.732 -98.044 - 118.999 136.983 116.991-120.413 - 106.460 157.996 98.203 -99.161 - 120.554 0.000 120.473 -80.762 - # 126 total E -4.19147E+01 rmsd from N 0.000 %NC 0.00 - 117.107-135.878 153.102-148.607 - 121.404 -63.047 160.994 -13.189 - 113.448 76.014 98.972 -92.725 - 100.210 156.221 146.201 -84.162 - 91.837 74.135 133.768-134.847 - 102.757 154.408 176.436 150.136 - 91.728 66.757 157.152-140.529 - 92.799 79.950 128.309-131.254 - 108.038 -88.968 120.756 -89.495 - 128.928 10.009 0.000 0.000 - 95.102 165.367 0.000 0.000 - 95.272 136.101 125.363-145.891 - 110.496 173.614 117.901 -78.936 - 126.606-177.018 124.098 -80.884 - 118.578 59.847 0.000 0.000 - 120.046 -99.873 106.878 -53.260 - 118.196-107.833 116.310-121.073 - 119.116-139.729 110.481-110.787 - 115.247 123.178 129.851-140.814 - 93.523 0.000 114.647 -77.518 - # 127 total E -4.17925E+01 rmsd from N 0.000 %NC 0.00 - 119.440-103.377 146.685 -13.829 - 122.272 -87.208 131.303 -92.341 - 93.251 113.663 176.464 176.446 - 124.817 -78.632 106.240 -68.073 - 90.074 75.389 130.052-128.512 - 91.898 63.319 176.456-170.612 - 91.361 154.052 147.052-114.127 - 91.569 92.440 128.331-153.143 - 94.120 -50.312 149.047 -25.086 - 96.746 87.567 0.000 0.000 - 93.374 35.971 0.000 0.000 - 94.308 172.111 132.187-155.713 - 123.173 179.430 121.897 -80.295 - 125.075-179.267 123.943 -79.475 - 131.248 -67.498 0.000 0.000 - 92.330 77.844 124.099-146.685 - 115.995-106.096 111.505-118.686 - 118.278-142.297 112.339-113.325 - 114.629 -2.520 131.839-144.301 - 118.842 0.000 120.353 -80.097 - # 128 total E -4.17182E+01 rmsd from N 0.000 %NC 0.00 - 93.688 25.183 111.594 -82.856 - 117.078-103.917 150.265-131.762 - 125.507 177.465 151.011 2.273 - 111.359 179.094 159.884-160.706 - 128.870-178.675 162.821 -25.836 - 92.262 89.198 172.250 175.798 - 91.264 46.020 137.548 -52.611 - 91.991 67.771 137.158-135.972 - 92.873 165.891 143.064-126.449 - 121.996 169.397 0.000 0.000 - 134.422 -57.392 0.000 0.000 - 122.566 175.738 118.469-118.602 - 93.589 91.508 114.373 -77.118 - 115.035-105.195 117.657 -79.514 - 118.038 176.514 0.000 0.000 - 129.143-107.420 115.888 -95.185 - 115.319 132.170 118.479-128.157 - 123.798-172.006 115.676-115.621 - 117.233-118.965 127.765-136.358 - 121.763 0.000 121.630 -80.873 - # 129 total E -4.16921E+01 rmsd from N 0.000 %NC 0.00 - 110.345 158.022 141.797-126.247 - 92.079 76.571 142.519 128.669 - 91.688 28.972 121.230-115.479 - 99.941 -90.495 165.405 160.733 - 115.806 174.580 139.857 24.762 - 123.487 167.839 161.880 101.305 - 110.144 -77.136 158.315-177.833 - 93.199 72.365 132.924-133.306 - 94.059 120.816 142.632-123.636 - 142.380 -90.744 0.000 0.000 - 121.007 -33.444 0.000 0.000 - 112.532 112.295 131.708-144.140 - 126.671-101.058 120.711 -81.094 - 128.206 179.041 122.291 -80.178 - 122.733 69.235 0.000 0.000 - 126.526 -85.194 116.481 -56.128 - 117.876-108.534 118.387-124.638 - 118.959-141.708 110.978-110.699 - 115.879 -2.608 129.405-139.938 - 118.462 0.000 146.257-106.173 - # 130 total E -4.15865E+01 rmsd from N 0.000 %NC 0.00 - 119.261 -95.790 110.745 -78.362 - 118.716 179.104 148.417 -19.230 - 115.189 164.626 165.662 177.118 - 121.931 170.626 162.029 -64.845 - 90.929 70.398 117.528 -48.544 - 93.148 25.670 135.322 123.910 - 92.939-108.574 146.072 -36.389 - 94.350 153.442 128.675-130.754 - 118.903 179.679 163.447-150.649 - 122.484 169.775 0.000 0.000 - 133.408 -48.666 0.000 0.000 - 124.152 174.685 112.966-111.331 - 93.465 90.210 129.704-135.324 - 94.233 153.037 114.280 -76.832 - 118.255 64.685 0.000 0.000 - 125.544 -74.714 140.970-173.177 - 119.747-142.504 111.866-113.659 - 106.584 139.837 119.304-128.529 - 120.010-112.118 121.219-127.539 - 94.610 0.000 116.330 -77.576 - # 131 total E -4.12410E+01 rmsd from N 0.000 %NC 0.00 - 116.987 172.019 104.956 -70.555 - 92.017 76.402 156.421-141.779 - 91.157 30.908 119.748 -35.782 - 102.233-126.149 165.543 179.147 - 92.372 62.824 118.386 -95.968 - 129.162-119.586 101.856-120.045 - 91.800 62.701 143.256-126.585 - 111.448-106.815 94.567-109.713 - 116.775 150.744 166.116-155.474 - 124.148 165.873 0.000 0.000 - 134.726 -70.031 0.000 0.000 - 113.007 -90.642 88.963 -93.376 - 92.835 75.211 136.625-109.164 - 125.904 -2.692 122.692 -78.993 - 146.187 -62.636 0.000 0.000 - 95.267 152.965 107.382 -43.440 - 93.037 124.791 107.095-121.393 - 130.046-171.640 116.771-112.736 - 93.872 25.453 100.650-104.546 - 118.708 0.000 120.112 -80.979 - # 132 total E -4.11228E+01 rmsd from N 0.000 %NC 0.00 - 93.812 112.613 148.645 -17.953 - 92.989 116.521 140.623 -34.005 - 128.968-103.583 97.686 -91.250 - 117.862 167.932 161.083-108.535 - 92.528 80.651 142.685-132.121 - 127.137 -99.585 111.105-122.325 - 123.564 178.428 171.043-142.751 - 92.999 92.007 132.436 -76.799 - 92.925 -49.160 108.364 -81.441 - 117.224 -50.423 0.000 0.000 - 110.875 -30.747 0.000 0.000 - 104.588 171.415 129.792-146.385 - 93.777 95.667 114.012 -77.981 - 120.473 147.676 119.399 -81.156 - 135.809 -95.271 0.000 0.000 - 126.429-103.866 128.512 -49.072 - 121.075 133.018 117.916-123.397 - 121.201-173.486 121.272-125.337 - 107.775 -13.693 98.549 -88.222 - 118.897 0.000 119.743 -80.073 - # 133 total E -4.10542E+01 rmsd from N 0.000 %NC 0.00 - 93.767 5.628 147.115 -30.984 - 120.123-107.796 149.927-123.365 - 127.605 178.115 164.576 163.087 - 119.616-178.593 167.052-120.183 - 125.583-176.342 155.344-101.475 - 114.420-179.680 139.419 -32.591 - 122.650-177.389 144.305-156.135 - 123.480-176.874 147.705-104.374 - 121.295-178.694 151.121 -18.074 - 136.269 -63.716 0.000 0.000 - 107.561 -20.364 0.000 0.000 - 96.907 -56.473 94.585 -88.756 - 93.099 77.169 108.389 -76.278 - 131.430 -91.602 115.993 -77.048 - 110.222 -51.363 0.000 0.000 - 92.879 81.452 83.140 64.860 - 120.745-110.565 112.588-118.065 - 114.755-141.110 99.471 -88.491 - 92.950 97.829 105.050-110.141 - 118.429 0.000 115.411 -82.380 - # 134 total E -4.10409E+01 rmsd from N 0.000 %NC 0.00 - 93.819 124.023 150.575-131.765 - 119.941-174.236 176.430-168.187 - 132.804 -73.015 157.065 131.023 - 94.198 79.961 164.736-135.700 - 91.066 66.387 136.996-108.310 - 91.922 126.080 88.023 -82.960 - 92.113 115.334 141.280-112.818 - 121.583 -82.402 141.569-143.940 - 94.900 -54.005 143.808-117.819 - 126.904-161.837 0.000 0.000 - 130.008 -55.390 0.000 0.000 - 119.266 -86.958 108.502-107.603 - 93.261 90.987 114.824 -76.492 - 128.540-107.669 118.135 -83.093 - 127.765-179.848 0.000 0.000 - 120.629 64.505 85.197-107.411 - 126.431-107.658 116.520-115.881 - 120.022-141.905 113.597-115.160 - 93.243 73.275 106.873-110.678 - 93.285 0.000 112.686 -77.819 - # 135 total E -4.09868E+01 rmsd from N 0.000 %NC 0.00 - 93.769 9.328 146.208 -30.741 - 116.619 176.968 150.125-121.299 - 127.813 178.896 114.780-102.009 - 122.615-179.668 124.080 -62.495 - 91.650 71.870 119.715-129.528 - 120.049 -87.170 136.991 132.679 - 118.920-175.102 154.703 -22.772 - 118.111-175.488 124.850 137.271 - 123.727-179.759 159.134-153.590 - 128.353 22.578 0.000 0.000 - 112.700 -25.010 0.000 0.000 - 98.187 176.271 101.769 -98.494 - 130.607-171.553 143.500-145.549 - 119.847-174.784 146.635 -68.173 - 128.817 179.519 0.000 0.000 - 93.228 85.166 107.433 30.896 - 122.812-168.979 108.148-109.574 - 122.437-144.610 112.223-111.593 - 118.106-100.627 127.792-136.336 - 94.370 0.000 114.823 -76.187 - # 136 total E -4.09544E+01 rmsd from N 0.000 %NC 0.00 - 118.248-154.782 146.252 -20.249 - 119.812-179.189 157.224-157.763 - 129.771 -82.542 150.325 -1.325 - 117.430 -51.520 134.509 -76.571 - 92.439 170.929 106.080 -36.489 - 93.431 97.772 92.502-121.200 - 121.448 -98.401 149.739-146.194 - 126.060-176.057 134.963-137.919 - 121.618 -71.006 150.931 -18.004 - 132.429 -67.896 0.000 0.000 - 120.902 -33.891 0.000 0.000 - 111.980-179.698 129.950-142.369 - 122.109 177.169 134.313 -16.949 - 94.322 90.437 115.877 -76.110 - 137.576-104.214 0.000 0.000 - 127.928 -90.376 121.413 -53.454 - 117.652-109.333 121.363-130.177 - 113.162-139.286 100.617 -93.385 - 117.278-119.048 126.889-136.560 - 121.861 0.000 121.761 -81.022 - # 137 total E -4.09505E+01 rmsd from N 0.000 %NC 0.00 - 93.630 48.385 144.513-142.193 - 92.589 104.761 149.169 -96.997 - 130.016-104.277 91.938 -97.255 - 115.045 173.458 145.895 -93.368 - 92.516 94.915 136.471-130.499 - 124.004-110.926 98.254 -73.803 - 121.649 171.274 154.372-155.138 - 92.670 95.119 142.452-105.763 - 93.815 21.634 106.236 -83.935 - 122.723-165.977 0.000 0.000 - 132.444 -52.352 0.000 0.000 - 116.599 177.706 127.217-135.149 - 123.572 178.679 147.487 -99.584 - 127.044 -60.899 122.094 -80.301 - 127.376 72.111 0.000 0.000 - 127.315 -76.101 141.820-170.723 - 118.970-143.924 118.108-124.556 - 101.546 141.147 105.178-101.055 - 120.646-118.904 119.889-125.668 - 120.683 0.000 146.719-115.743 - # 138 total E -4.07029E+01 rmsd from N 0.000 %NC 0.00 - 93.828 87.804 149.710 -13.128 - 93.117 173.881 139.062 -32.431 - 130.339-104.360 96.024 -86.058 - 116.562 115.646 157.285-129.240 - 129.147 -91.100 126.627 -78.236 - 129.071 -30.545 160.941 -6.085 - 118.497 -98.265 156.964 -18.812 - 126.732 165.612 156.859-123.266 - 118.403 -79.282 105.950 -80.430 - 95.859 62.408 0.000 0.000 - 94.641 39.129 0.000 0.000 - 90.504 58.156 106.411 -99.233 - 91.038 142.226 115.886 -75.047 - 90.899 -71.180 114.686 -77.996 - 94.111 24.705 0.000 0.000 - 128.793 85.182 129.777-133.468 - 109.044-169.519 86.962-104.085 - 123.060-123.128 110.907-109.815 - 117.047-129.345 141.150-155.717 - 124.732 0.000 122.428 -86.088 - # 139 total E -4.05869E+01 rmsd from N 0.000 %NC 0.00 - 114.216-165.466 146.034-126.069 - 119.121 174.618 150.092 -21.636 - 111.682 166.354 154.084-121.200 - 92.798 75.907 139.414 -96.824 - 91.149 115.844 86.589 -69.539 - 125.661-125.403 176.504 19.128 - 117.351 85.805 147.864-146.631 - 131.091 -98.697 148.114-169.338 - 115.266-173.127 150.073 -20.304 - 136.744 177.460 0.000 0.000 - 103.006 -10.953 0.000 0.000 - 108.451-145.603 129.626-143.627 - 129.363-167.104 154.539 -96.670 - 126.557 -41.778 122.091 -80.221 - 132.369 106.463 0.000 0.000 - 114.972 174.368 120.274 -44.884 - 94.228 127.031 100.596-124.277 - 106.291-106.362 133.526-151.977 - 114.124-127.611 95.094 -85.862 - 123.905 0.000 121.421 -84.857 - # 140 total E -4.03479E+01 rmsd from N 0.000 %NC 0.00 - 93.595 99.372 142.549-129.668 - 118.168 178.130 156.992-151.066 - 120.243 168.290 154.073 -9.792 - 120.628 175.587 144.551 -96.937 - 124.670 -70.646 156.461-141.737 - 123.864 -55.630 96.941 -73.925 - 123.069 -59.851 161.784-174.668 - 93.238 88.479 133.835-133.673 - 93.234 7.178 140.406-113.812 - 116.242-163.541 0.000 0.000 - 131.441 -60.993 0.000 0.000 - 114.738 170.436 138.706-154.895 - 118.372 176.956 119.699 -79.444 - 123.669-179.372 142.497-157.190 - 127.421 175.282 0.000 0.000 - 128.266 -77.896 144.922 -45.799 - 119.942-142.782 109.877-110.129 - 105.840 133.673 119.063-129.068 - 93.278 124.033 103.404-114.232 - 120.072 0.000 119.780 -82.522 - # 141 total E -4.02830E+01 rmsd from N 0.000 %NC 0.00 - 116.524-138.994 151.708-151.252 - 129.055-176.740 176.423-162.792 - 120.057 171.111 147.927-126.516 - 92.849 71.861 138.646 -95.475 - 90.628 19.132 123.743-115.036 - 100.782-102.312 123.234-103.420 - 115.148 -73.551 161.112-175.120 - 93.098 70.695 136.777-141.154 - 93.356 136.393 142.950-121.768 - 144.549 -83.936 0.000 0.000 - 114.582 -23.985 0.000 0.000 - 116.408 -91.070 117.876-122.274 - 128.589 79.487 140.855 15.700 - 113.447 148.618 118.774 -78.344 - 130.685 167.544 0.000 0.000 - 127.820-112.672 104.098 102.717 - 119.574 133.128 123.748-134.110 - 126.298-172.593 112.377-108.394 - 117.701 136.632 127.080-135.645 - 93.604 0.000 114.776 -77.489 - # 142 total E -4.02608E+01 rmsd from N 0.000 %NC 0.00 - 118.060-146.054 149.627 -20.805 - 119.104 175.986 147.813 -26.985 - 115.530 177.439 116.831 -76.787 - 120.141-176.826 138.194 -97.006 - 120.818 178.847 147.281-127.376 - 93.753 99.090 127.714 -14.719 - 116.149 -97.969 156.344 -24.011 - 125.535-174.510 129.867-116.254 - 120.493-177.921 159.822-155.020 - 126.448 172.156 0.000 0.000 - 134.458 -57.521 0.000 0.000 - 117.850 175.529 125.402-131.716 - 124.511 177.262 120.774 -80.508 - 125.662 -90.342 149.462 -67.303 - 125.685-174.692 0.000 0.000 - 128.926 -76.793 148.707 69.957 - 118.950-143.657 118.594-125.324 - 101.472 140.582 105.142-100.691 - 120.466 152.252 120.473-126.519 - 93.744 0.000 114.929 -77.515 - # 143 total E -4.02220E+01 rmsd from N 0.000 %NC 0.00 - 93.601 98.513 143.456-129.936 - 114.300 176.701 159.221 -14.699 - 93.414 84.219 102.879 -77.333 - 92.338 113.388 139.755 -93.286 - 91.621 130.569 128.534-129.903 - 124.662 33.545 87.027-101.387 - 92.298 -59.176 132.655-106.562 - 91.868 -18.635 133.560-115.450 - 109.739 158.192 152.158-139.271 - 117.601 160.849 0.000 0.000 - 144.039-145.514 0.000 0.000 - 121.446 -84.907 111.925-111.445 - 92.478 85.491 121.978 145.179 - 94.322 34.131 110.421 -78.483 - 137.714 -57.379 0.000 0.000 - 93.239 95.245 120.453-155.581 - 130.414-163.340 105.557 -99.900 - 99.929-167.701 101.969-100.037 - 94.052 64.554 124.617-146.818 - 93.380 0.000 132.226-115.799 - # 144 total E -3.98291E+01 rmsd from N 0.000 %NC 0.00 - 93.820 106.211 144.882 -26.761 - 117.014 167.471 160.288-136.133 - 123.660 48.790 157.981 8.164 - 119.824-108.526 125.773 -65.041 - 90.648 62.516 104.034 -49.769 - 91.679 51.745 151.421-116.429 - 91.038 63.195 135.696 -91.445 - 92.767 160.328 128.659-144.926 - 117.133-179.624 153.192 -16.345 - 125.569 171.941 0.000 0.000 - 134.156 -60.492 0.000 0.000 - 116.909 -85.839 124.534-131.158 - 116.789 83.994 146.174-108.396 - 123.101-178.083 147.601 -53.450 - 124.809 175.712 0.000 0.000 - 129.314 -78.311 138.276-164.046 - 119.880-142.375 111.678-113.274 - 107.029 138.153 118.525-127.116 - 120.745 -29.161 120.307-125.946 - 118.976 0.000 145.990-110.928 - # 145 total E -3.98074E+01 rmsd from N 0.000 %NC 0.00 - 116.633 170.927 141.467 -25.022 - 109.045 156.083 112.191 -69.635 - 129.500 90.913 97.373 -93.127 - 118.402-112.138 163.384 175.875 - 91.020 36.677 113.663 -72.289 - 93.384 65.842 156.794 33.498 - 92.215 -82.542 137.411 -49.995 - 122.234-174.995 126.177-123.215 - 95.328 -58.449 149.854-133.714 - 124.026-165.975 0.000 0.000 - 132.930 -52.488 0.000 0.000 - 116.832 177.845 126.721-134.258 - 124.361-179.611 147.337-102.279 - 125.581-179.398 121.827 -80.090 - 126.976 171.153 0.000 0.000 - 128.887-103.746 106.120 -55.056 - 116.870-167.895 121.254-129.779 - 92.169 54.208 107.747-105.009 - 93.205 29.405 92.026 -96.868 - 93.371 0.000 116.684 -77.589 - # 146 total E -3.95831E+01 rmsd from N 0.000 %NC 0.00 - 93.619 19.989 144.094-127.310 - 118.242-177.107 160.138-146.562 - 131.202-106.529 164.298 168.635 - 123.375-173.539 142.611 -76.946 - 91.829 -59.972 122.743-124.809 - 93.579 153.334 131.532 -13.916 - 91.519 88.640 138.169-137.285 - 92.149 94.339 121.735-103.131 - 93.424 21.263 150.356 -25.201 - 121.628-166.711 0.000 0.000 - 132.291 -55.368 0.000 0.000 - 114.700 106.938 129.052-139.188 - 127.463-100.634 120.775 -80.571 - 126.712-175.290 149.992 -62.788 - 127.402 176.093 0.000 0.000 - 128.287 -77.629 145.298 -45.673 - 120.012-142.749 109.188-109.099 - 106.498 134.677 118.739-128.239 - 105.829-119.579 103.943-110.865 - 120.625 0.000 144.566-123.404 - # 147 total E -3.95213E+01 rmsd from N 0.000 %NC 0.00 - 118.586-148.894 147.673 -16.986 - 116.278-168.593 152.721 -16.820 - 132.338 167.625 160.323 156.125 - 96.781 -66.971 140.257 -81.021 - 91.237 49.132 106.389-101.543 - 120.039 -88.869 102.507-114.228 - 92.680 107.896 150.259-170.678 - 128.970 -83.799 133.948 -69.732 - 124.483-172.815 103.198 -81.827 - 96.067 145.477 0.000 0.000 - 121.111 -36.387 0.000 0.000 - 111.168 112.604 129.840-142.598 - 121.146-170.081 125.737 -82.752 - 95.129 62.798 115.702 -76.324 - 134.316 -64.378 0.000 0.000 - 92.544 87.700 95.888 53.245 - 120.454-164.193 109.271-113.067 - 109.628-112.579 100.741 -95.013 - 117.516-118.826 126.528-136.389 - 121.853 0.000 121.734 -80.936 - # 148 total E -3.94696E+01 rmsd from N 0.000 %NC 0.00 - 117.037-173.075 144.828 -26.424 - 118.997 177.969 154.644-113.348 - 122.217 175.564 135.275-125.875 - 123.702 178.732 127.514 -59.258 - 91.650 72.748 118.172 -65.113 - 120.399 -94.619 146.740 142.998 - 119.457-178.013 158.581-124.485 - 125.577-176.760 170.309-128.531 - 120.478-178.132 161.680-149.861 - 126.454 172.190 0.000 0.000 - 134.367 -57.128 0.000 0.000 - 117.271 176.644 126.665-133.889 - 124.469-179.581 147.324 -99.324 - 125.180-178.606 148.315 -48.628 - 124.551 171.272 0.000 0.000 - 129.980-103.053 137.785-153.316 - 122.340 133.818 117.485-122.081 - 118.130 152.454 116.589-120.127 - 118.407 -24.973 126.141-134.822 - 119.426 0.000 120.435 -80.264 - # 149 total E -3.94635E+01 rmsd from N 0.000 %NC 0.00 - 93.599 103.249 142.767-130.635 - 120.768 177.748 168.488-169.567 - 123.681 -43.965 156.316 6.882 - 91.343 82.146 132.389-106.961 - 90.731 -28.735 90.339 -84.782 - 124.663-172.287 140.724 -33.215 - 120.881-175.706 157.023-163.903 - 123.858-176.738 131.671-112.438 - 122.011-178.000 111.724 -79.879 - 126.336 172.146 0.000 0.000 - 134.412 -57.407 0.000 0.000 - 118.030 176.270 125.275-131.417 - 125.624-178.771 121.036 -80.786 - 125.442-174.666 121.903 -79.963 - 135.780 -98.335 0.000 0.000 - 125.414-106.288 127.911 -47.822 - 119.877 122.374 119.291-126.299 - 92.481 50.896 108.355-117.770 - 107.958 -18.545 124.927-138.343 - 93.472 0.000 115.301 -77.078 - # 150 total E -3.94183E+01 rmsd from N 0.000 %NC 0.00 - 116.755-138.274 152.637-148.254 - 122.622 -66.671 152.588-131.347 - 114.128 79.799 133.654 117.891 - 102.700 163.050 144.269 -76.911 - 92.345 91.915 130.953-135.143 - 122.228 -50.488 93.556 -75.016 - 95.208 -89.338 146.239 -40.022 - 122.487 174.273 113.821 132.029 - 118.080 -74.746 149.363 -27.443 - 95.487 166.561 0.000 0.000 - 142.699 -51.372 0.000 0.000 - 106.520 176.600 95.139 -93.111 - 125.180-179.876 121.053 -80.694 - 124.413-178.301 147.117 -57.359 - 124.052 171.534 0.000 0.000 - 130.053-102.686 135.300-148.947 - 123.058 134.155 117.432-121.230 - 125.225-173.441 115.588-114.616 - 93.447 111.578 102.084-102.374 - 118.015 0.000 135.592-125.470 - # 151 total E -3.93867E+01 rmsd from N 0.000 %NC 0.00 - 117.332-175.876 111.702 -77.431 - 92.791 25.345 147.673 -41.647 - 108.858 74.927 160.690 9.046 - 113.618 -87.660 163.932-141.481 - 114.045-176.114 154.585 -74.562 - 117.018-179.100 144.569 -36.649 - 121.881-177.825 144.482-155.913 - 123.470-176.920 150.132-111.052 - 121.338-178.882 151.224 -18.156 - 134.782 -64.965 0.000 0.000 - 106.872 -15.989 0.000 0.000 - 96.401 -52.898 129.791-150.744 - 93.020 -9.736 114.851 -76.081 - 118.902-169.008 119.875 -79.313 - 125.045 173.411 0.000 0.000 - 128.928 -94.216 120.913 -52.464 - 117.974-108.395 118.408-124.837 - 119.146-140.412 110.733-110.316 - 116.251 5.663 128.820-138.585 - 93.463 0.000 135.528-114.137 - # 152 total E -3.91883E+01 rmsd from N 0.000 %NC 0.00 - 93.968 129.679 144.971 -0.728 - 107.547 170.128 142.915 -28.540 - 108.613 111.033 132.834-122.441 - 121.139-104.110 113.741 -68.012 - 90.983 79.564 125.355 149.609 - 91.883 111.661 148.122 6.027 - 91.889 -50.359 120.367-118.045 - 96.898 179.188 127.116-114.049 - 118.224-178.336 151.296-155.536 - 126.424 172.577 0.000 0.000 - 133.156 -53.394 0.000 0.000 - 112.262-177.967 130.577-143.098 - 135.427-178.051 176.435 -75.477 - 121.244 -38.009 119.965 -79.111 - 122.552 -16.263 0.000 0.000 - 94.241 91.033 107.432 29.240 - 117.359-168.812 110.275-115.990 - 111.586-112.423 101.629-100.107 - 117.954-118.936 120.819-125.855 - 121.965 0.000 121.582 -81.145 - # 153 total E -3.87318E+01 rmsd from N 0.000 %NC 0.00 - 93.746 74.327 148.576-151.696 - 92.923 152.133 140.566 -23.152 - 131.821-120.536 132.391-128.144 - 93.694 98.046 138.387 -93.417 - 90.298 -63.959 94.325 -79.498 - 92.638 103.680 129.335 -48.596 - 103.669 -85.324 152.887 -28.106 - 128.527-171.808 118.137-104.121 - 120.134 -64.986 118.232 -86.276 - 123.307 58.297 0.000 0.000 - 123.982 -66.362 0.000 0.000 - 110.871 164.251 129.469-142.038 - 127.082 169.908 121.685 -80.460 - 123.688 159.496 148.618 -65.010 - 136.453 -86.256 0.000 0.000 - 93.476 84.036 122.137-150.478 - 129.353-166.650 111.365-110.716 - 129.240 139.728 116.909-113.176 - 109.769 -21.830 94.149 -74.255 - 93.468 0.000 114.022 -76.942 - # 154 total E -3.84581E+01 rmsd from N 0.000 %NC 0.00 - 93.605 99.659 142.898-130.117 - 118.226 177.848 157.619-148.215 - 117.672 165.728 153.037 13.156 - 102.268 -58.936 159.507-165.180 - 91.786 149.609 115.599 -11.776 - 93.251 98.041 126.878-132.970 - 112.932-101.161 154.404 -28.311 - 125.578-177.670 128.866-121.526 - 120.711 -71.146 161.366-156.489 - 132.633 -68.935 0.000 0.000 - 124.314 -34.779 0.000 0.000 - 123.547-174.934 113.167-110.954 - 117.936 172.767 119.493 -79.599 - 121.797 -62.121 115.808 -78.624 - 119.529 -37.884 0.000 0.000 - 93.582 84.243 123.733-148.915 - 124.876-110.349 107.816-109.165 - 120.200-141.570 112.513-113.118 - 117.970-103.161 126.201-132.547 - 94.445 0.000 114.484 -77.170 - # 155 total E -3.84063E+01 rmsd from N 0.000 %NC 0.00 - 119.368-112.490 110.226 -80.160 - 122.319 -97.652 166.234 -12.772 - 126.961 177.366 155.626 -1.322 - 116.184 178.232 163.862-135.026 - 125.162-177.905 165.105-105.768 - 114.192 179.319 139.071 -29.173 - 122.208-177.989 144.762-157.714 - 123.719-177.053 145.309-101.405 - 120.733-177.001 159.334-153.632 - 127.832-176.833 0.000 0.000 - 94.166 45.081 0.000 0.000 - 99.202 169.093 130.524-150.250 - 93.617 98.583 115.286 -76.901 - 120.726-106.957 117.548 -80.396 - 119.448 178.681 0.000 0.000 - 129.964 -99.330 135.185-150.393 - 122.654 134.607 119.744-124.686 - 100.042-174.522 102.222 -98.014 - 117.139 144.107 129.196-141.834 - 119.079 0.000 143.770-107.541 - # 156 total E -3.81719E+01 rmsd from N 0.000 %NC 0.00 - 93.734 6.605 106.868 -79.395 - 123.825 -74.952 159.743-105.461 - 128.787 6.451 88.672 -89.114 - 122.759 -89.135 104.420 -79.462 - 90.542 65.264 126.891 149.871 - 98.214-168.908 133.046 -15.183 - 124.339-171.546 147.746 165.323 - 120.174-167.647 129.334-137.034 - 94.203 57.808 151.065 -20.252 - 125.114 -68.295 0.000 0.000 - 118.209-164.745 0.000 0.000 - 93.172 86.404 110.907-118.685 - 122.151 -96.706 142.419-120.342 - 127.847-173.666 123.324 -79.037 - 123.297 174.916 0.000 0.000 - 130.031 -84.859 132.493-151.393 - 118.589-109.414 116.391-122.151 - 119.275-140.030 111.234-111.164 - 116.054 5.947 128.934-138.428 - 93.383 0.000 115.620 -77.050 - # 157 total E -3.80862E+01 rmsd from N 0.000 %NC 0.00 - 93.617 18.943 143.687-125.851 - 116.640 178.408 153.739-120.270 - 120.836 174.864 138.025-124.247 - 114.303 166.032 135.722 -71.385 - 91.906 26.875 122.579-127.231 - 115.477 79.836 162.809 166.111 - 113.230 -92.105 155.359 -24.785 - 122.043-176.763 132.863-132.137 - 121.732 -70.427 151.015 -19.817 - 130.588 -64.294 0.000 0.000 - 102.756 -25.075 0.000 0.000 - 98.784 171.438 130.170-149.741 - 93.300 90.125 133.694-124.250 - 94.369 157.571 114.087 -77.321 - 123.826 170.372 0.000 0.000 - 128.730 -85.962 139.752 -46.371 - 119.771-162.316 118.129-124.143 - 110.700-114.790 100.391 -92.814 - 116.189 14.493 127.640-137.836 - 93.445 0.000 135.298-114.801 - # 158 total E -3.78875E+01 rmsd from N 0.000 %NC 0.00 - 117.164-141.858 154.074-142.390 - 121.218-176.712 160.753-157.736 - 139.444 -67.143 152.601 137.183 - 127.688 -41.984 157.932-116.814 - 93.081 153.789 126.283-130.924 - 127.159 -72.371 147.884-148.480 - 93.861 -14.067 159.092-120.308 - 95.294 103.598 133.596-134.375 - 109.737-172.040 151.859 -20.285 - 134.360 -71.296 0.000 0.000 - 99.005 -30.048 0.000 0.000 - 94.835 165.621 130.231-152.289 - 124.066 178.934 123.990 -83.219 - 125.301-178.701 122.376 -80.492 - 127.399 175.423 0.000 0.000 - 129.210 -79.020 148.399 70.454 - 119.010-143.756 118.486-125.111 - 101.549 141.180 104.996-100.519 - 120.447-120.416 119.998-126.060 - 121.888 0.000 121.527 -81.067 - # 159 total E -3.77443E+01 rmsd from N 0.000 %NC 0.00 - 93.615 22.568 143.356-123.450 - 120.088 -95.644 152.936-144.869 - 125.102-167.044 118.232 -77.058 - 119.630 -84.354 163.349-135.692 - 117.221 177.666 135.112 -35.089 - 117.106 177.649 97.778-136.920 - 112.691-176.097 134.830-100.149 - 126.190 164.535 119.295-118.578 - 110.275 -71.461 108.855 -79.921 - 94.711 60.746 0.000 0.000 - 130.455 -48.289 0.000 0.000 - 118.034 -84.754 111.791-113.604 - 124.451 72.405 138.684 12.804 - 95.198 -65.548 114.583 -76.172 - 113.606 -24.548 0.000 0.000 - 122.678 -93.855 133.664-114.233 - 99.025 133.750 104.083-139.134 - 117.527-173.489 120.295-126.661 - 93.797 70.383 131.513-155.480 - 93.312 0.000 114.064 -77.159 - # 160 total E -3.75246E+01 rmsd from N 0.000 %NC 0.00 - 93.625 19.340 144.079-126.934 - 118.346 179.889 159.058-143.133 - 126.720 173.561 162.393-169.148 - 118.008 178.287 143.604 -85.020 - 124.497 177.495 147.563-131.238 - 126.863-176.552 110.713-131.208 - 115.987-179.217 143.255 -84.187 - 123.486-179.297 130.273 145.783 - 122.415 -71.193 111.241 -80.489 - 132.011 -67.332 0.000 0.000 - 121.078 -34.055 0.000 0.000 - 113.039-179.488 128.209-138.828 - 124.364 177.835 121.101 -80.475 - 125.668 -90.851 149.522 -68.565 - 125.638-175.405 0.000 0.000 - 128.985 -82.116 147.378 72.935 - 119.848-165.256 119.366-126.586 - 92.661 55.751 108.903-106.698 - 93.053 128.543 128.830-151.303 - 117.444 0.000 132.216-109.406 - # 161 total E -3.72084E+01 rmsd from N 0.000 %NC 0.00 - 117.729 -93.473 145.836 -32.198 - 92.357 89.005 153.221-133.142 - 93.714 109.419 104.497 -91.626 - 121.478-110.803 113.569 -56.941 - 117.824 -87.143 121.941 -52.072 - 109.361-174.621 129.200 -43.751 - 121.639-177.896 142.441-151.613 - 114.950 169.018 143.615-102.796 - 92.801 -50.758 146.173 -29.454 - 100.698 -20.558 0.000 0.000 - 112.105 -26.007 0.000 0.000 - 95.499 -48.716 93.721 -99.837 - 92.456 80.185 114.522 -76.328 - 134.514 -95.835 117.162 -82.299 - 116.259 -23.816 0.000 0.000 - 114.008 175.244 135.222 -91.813 - 93.815 126.016 105.539-131.317 - 125.151-111.938 112.641-111.040 - 117.643-118.887 125.033-132.015 - 121.869 0.000 121.632 -80.962 - # 162 total E -3.68846E+01 rmsd from N 0.000 %NC 0.00 - 93.674 109.990 145.666-155.579 - 108.530 -54.181 156.949 -23.779 - 111.058 83.415 160.886 5.611 - 119.642 -94.046 160.716 -77.083 - 118.650 177.773 146.208 145.783 - 126.583-176.650 107.571-143.880 - 117.155-177.418 150.659 -27.180 - 122.952-176.540 121.392-118.275 - 122.643-176.245 113.092 -78.358 - 130.520 -59.514 0.000 0.000 - 103.816 -35.595 0.000 0.000 - 93.110 80.509 131.918-155.722 - 136.085-109.952 144.301 -3.873 - 121.336 -56.557 116.797 -80.505 - 118.018 -9.499 0.000 0.000 - 113.417 -79.808 142.973 159.099 - 116.493 124.392 119.001-128.238 - 91.352 49.763 124.098-145.211 - 92.497 60.345 90.933 -93.254 - 93.327 0.000 111.303 -80.115 - # 163 total E -3.68283E+01 rmsd from N 0.000 %NC 0.00 - 117.965 168.830 139.049 -9.045 - 91.464 80.294 151.403-145.633 - 92.191 73.077 176.448 177.824 - 86.145 148.622 130.636 -77.329 - 90.818 71.534 129.005-151.732 - 91.888 112.367 131.120 18.335 - 91.397 84.024 148.988 -39.023 - 93.346 132.318 99.873-125.044 - 119.427 43.624 115.062 -83.220 - 130.047 -60.356 0.000 0.000 - 110.251 -32.714 0.000 0.000 - 92.768 87.940 131.493-155.053 - 130.915-111.046 118.421 -81.253 - 118.926 129.483 146.278 -52.892 - 140.011 -98.674 0.000 0.000 - 119.975 -93.119 127.476 74.849 - 112.431 45.355 123.859-135.778 - 93.043 122.859 104.557-112.170 - 120.581 64.091 118.320-121.931 - 93.411 0.000 131.167-132.136 - # 164 total E -3.67819E+01 rmsd from N 0.000 %NC 0.00 - 93.729 8.864 105.131 -79.390 - 92.810 111.518 131.898 -93.045 - 137.596-102.703 156.781 136.503 - 116.387 171.960 124.836-107.587 - 92.077 85.975 120.434 -99.368 - 121.603 -66.723 127.327 48.740 - 92.849 110.921 149.851 -99.536 - 124.858 -96.069 122.495-126.153 - 124.881 -61.725 149.504 -22.516 - 120.892 -59.308 0.000 0.000 - 95.375 174.683 0.000 0.000 - 92.959 66.382 125.565-148.645 - 113.376-101.206 115.666 -78.436 - 123.847 141.637 121.058 -79.656 - 134.493 -77.033 0.000 0.000 - 92.952 75.420 85.945-106.508 - 125.299-166.584 115.878-118.263 - 122.034-139.868 111.650-108.931 - 117.236-114.612 127.384-134.883 - 94.757 0.000 137.395-121.601 - # 165 total E -3.61293E+01 rmsd from N 0.000 %NC 0.00 - 121.514 -89.718 168.310-160.683 - 120.807-168.111 151.305 -13.832 - 133.967 -80.871 150.030 99.051 - 121.383-176.435 126.254-108.509 - 120.460 118.375 145.543-117.598 - 118.320 -88.069 132.989 -21.493 - 92.802 77.540 143.865 -46.852 - 124.467-124.366 146.809-153.670 - 121.204 172.034 110.989 -79.913 - 135.716 -81.325 0.000 0.000 - 126.162 -57.744 0.000 0.000 - 113.610 169.997 124.025-131.773 - 122.855-179.584 118.274 -78.691 - 120.623-176.590 129.386 51.863 - 136.318 -75.538 0.000 0.000 - 93.781 149.477 112.122-146.495 - 93.302 126.718 101.005-120.746 - 124.496-111.570 115.100-116.172 - 117.762-118.673 123.914-129.715 - 121.800 0.000 121.575 -81.011 - # 166 total E -3.59816E+01 rmsd from N 0.000 %NC 0.00 - 93.711 11.041 105.220 -80.520 - 92.753 101.010 141.863-127.175 - 130.361 -85.873 150.459 9.609 - 123.447 -72.392 119.169 -66.274 - 92.101 4.728 108.932 -81.888 - 127.594 83.370 96.344 -96.575 - 126.435-108.770 162.300-161.115 - 133.340-179.291 127.299-125.773 - 122.217 -78.126 168.908-147.516 - 134.843 -78.174 0.000 0.000 - 130.063 -41.272 0.000 0.000 - 124.175 112.238 114.512-113.558 - 132.146-105.473 148.772 -48.786 - 94.593 34.462 114.642 -76.729 - 95.634 61.849 0.000 0.000 - 105.775 -67.786 135.656-135.403 - 117.916 135.389 113.901-119.592 - 130.285-170.890 117.854-115.423 - 122.169 136.105 117.035-117.576 - 93.586 0.000 114.756 -77.473 - # 167 total E -3.53508E+01 rmsd from N 0.000 %NC 0.00 - 114.779-174.776 149.373-114.990 - 109.881 121.714 148.338 -23.435 - 132.239 -98.247 95.978-102.472 - 121.536-167.294 163.875 -73.282 - 118.056-168.450 153.318-179.769 - 123.379 173.686 153.891 165.561 - 103.709 -46.461 154.201 -24.837 - 93.324 115.396 129.545-116.924 - 115.145 -94.316 107.913 -83.262 - 142.972 -62.403 0.000 0.000 - 108.451 -12.030 0.000 0.000 - 92.620 92.097 128.490-149.728 - 91.809 119.533 111.078 -76.580 - 132.059 -96.668 118.345 -81.954 - 109.042-177.148 0.000 0.000 - 125.791 80.922 139.318-153.680 - 123.668-162.651 112.212-112.035 - 113.594 133.095 117.240-123.488 - 119.048 64.350 121.648-128.751 - 93.344 0.000 114.971 -77.271 - # 168 total E -3.52133E+01 rmsd from N 0.000 %NC 0.00 - 93.626 20.047 144.150-132.275 - 114.304 179.679 162.182 -19.634 - 117.777 175.531 172.922 15.008 - 125.322-178.443 161.116-156.591 - 111.085 179.272 125.557 -4.803 - 126.757-178.795 150.966-169.496 - 118.615-178.395 157.594 -18.322 - 123.952-177.192 128.510-140.661 - 121.887-178.078 151.416 -16.600 - 126.139 172.176 0.000 0.000 - 133.642 -56.593 0.000 0.000 - 106.804 174.093 98.865 -90.978 - 124.118 179.996 147.069-111.238 - 125.605-179.098 121.783 -80.199 - 127.252 173.856 0.000 0.000 - 129.178 -85.629 148.330 65.919 - 121.167-165.463 113.539-116.654 - 114.730 52.205 123.202-129.772 - 115.490-119.609 124.070-133.474 - 120.858 0.000 147.932-111.880 - # 169 total E -3.52127E+01 rmsd from N 0.000 %NC 0.00 - 117.648-116.687 154.387-157.913 - 118.238 169.319 152.272-119.117 - 118.679 52.409 155.552 -11.001 - 125.412 -69.791 165.125-153.231 - 92.175 103.311 129.474-130.492 - 108.828 161.731 92.057 -92.494 - 92.239 91.200 133.652-140.734 - 92.863 151.367 112.270-135.425 - 119.263 -63.643 152.342 -19.438 - 127.346-145.517 0.000 0.000 - 94.471 85.388 0.000 0.000 - 107.426 -39.707 122.197-133.467 - 93.676 79.643 114.853 -76.510 - 93.562 134.944 119.855 -76.396 - 126.496 31.327 0.000 0.000 - 128.763 83.870 135.611-145.520 - 126.815-170.187 113.200-112.603 - 127.843-142.102 110.020-105.305 - 118.936-117.989 114.913-117.364 - 121.744 0.000 121.425 -81.100 - # 170 total E -3.51166E+01 rmsd from N 0.000 %NC 0.00 - 113.380 -40.556 151.822-146.476 - 92.943 109.621 150.267-139.737 - 130.547-100.922 160.689 175.193 - 122.127-174.082 165.952-138.480 - 125.334-172.932 155.027 -93.935 - 120.931-161.216 138.081 25.286 - 126.851 -72.033 166.418 -5.681 - 94.360 115.289 129.448-122.560 - 113.663 -87.480 116.686 -83.898 - 131.816 -59.169 0.000 0.000 - 119.527-138.875 0.000 0.000 - 116.471 174.547 129.884-140.822 - 123.540 177.413 147.256 -95.086 - 125.406 -64.367 121.582 -79.894 - 127.244 -22.957 0.000 0.000 - 127.110 -76.152 142.272 177.579 - 118.845-144.004 118.211-124.829 - 101.520 141.131 105.073-100.968 - 120.510-112.120 119.973-125.941 - 94.623 0.000 116.384 -77.749 - # 171 total E -3.49986E+01 rmsd from N 0.000 %NC 0.00 - 93.595 45.245 142.594-125.276 - 92.809 92.727 148.875-144.516 - 122.594 170.537 167.794 169.609 - 119.352-179.221 166.007-113.153 - 125.674-176.352 155.543-104.538 - 114.210-179.814 140.518 -30.959 - 122.626-177.700 144.306-156.995 - 122.625-179.159 148.278-106.222 - 121.620 -69.976 152.245 -18.356 - 131.425 -66.568 0.000 0.000 - 101.132 -26.784 0.000 0.000 - 96.121 169.154 101.431 -98.196 - 126.341 175.912 123.977 -84.122 - 125.515 -93.941 149.409 -67.398 - 125.323-179.106 0.000 0.000 - 128.016-108.819 127.386 -48.619 - 120.540 122.850 119.573-126.041 - 91.952 48.248 106.999-113.717 - 92.585 102.663 127.946-150.656 - 121.349 0.000 120.721 -85.204 - # 172 total E -3.45721E+01 rmsd from N 0.000 %NC 0.00 - 116.711-137.749 152.343-149.328 - 121.486 175.165 160.221-150.131 - 113.706 109.784 158.112 6.003 - 110.527 -96.778 131.508 -84.314 - 115.210 173.821 141.072 134.741 - 123.864-177.381 105.881-139.776 - 119.630 -70.467 152.180 -81.006 - 115.479 -32.587 129.706-132.701 - 93.741 -40.402 143.143-122.600 - 120.911-164.868 0.000 0.000 - 145.224 -26.444 0.000 0.000 - 106.429 -27.708 114.771-123.996 - 90.043 97.345 129.566 152.332 - 95.044 -23.657 111.129 -77.330 - 99.869 67.313 0.000 0.000 - 126.217-172.588 125.012 -78.368 - 94.277 114.639 100.347-128.642 - 91.492 49.454 110.651-120.793 - 92.742 84.444 93.467-107.518 - 93.436 0.000 126.041-133.003 - # 173 total E -3.42746E+01 rmsd from N 0.000 %NC 0.00 - 119.557-114.331 109.686 -78.619 - 113.850 173.308 170.694 -15.545 - 93.437 81.395 176.440 16.385 - 91.278 83.305 129.681-102.783 - 90.998 -37.736 97.250-101.897 - 124.956-165.740 140.775 -26.826 - 113.225-174.504 141.185-136.206 - 133.046-177.521 128.053-110.817 - 93.890 42.617 143.896-126.111 - 133.801 -66.862 0.000 0.000 - 111.460 -16.855 0.000 0.000 - 94.811 -53.271 105.367-110.883 - 93.390 -15.407 114.956 -77.506 - 110.911-165.283 118.004 -78.344 - 142.699-176.578 0.000 0.000 - 112.357 -59.725 139.356 -40.044 - 109.810-153.588 99.916 -96.807 - 109.757 16.257 128.853-143.166 - 108.936 144.211 127.559-141.238 - 119.024 0.000 142.369-115.585 - # 174 total E -3.39265E+01 rmsd from N 0.000 %NC 0.00 - 117.571 156.226 131.776 -20.699 - 92.345 94.259 151.785 162.018 - 120.634 -82.516 133.062-112.962 - 91.572 82.029 138.084-106.493 - 90.826 -8.188 115.242-105.451 - 106.215 165.581 151.068 -14.515 - 91.947 69.889 163.688 -34.619 - 92.426 104.214 100.336-121.567 - 119.891-101.998 119.150 -85.120 - 134.238-173.146 0.000 0.000 - 122.976 -39.400 0.000 0.000 - 91.470 66.238 100.964 -96.838 - 91.760 13.141 111.456 -76.766 - 104.175 -86.864 121.275 -70.544 - 128.477 -92.511 0.000 0.000 - 118.489 26.480 148.625 176.358 - 94.207 127.043 102.802-115.777 - 101.091-173.417 103.509-105.905 - 94.077 51.586 96.991-100.513 - 93.331 0.000 114.665 -77.941 - # 175 total E -3.37114E+01 rmsd from N 0.000 %NC 0.00 - 93.712 95.076 109.124 -81.375 - 118.200 178.539 165.069-162.605 - 123.137 -56.298 152.887 -0.756 - 128.075-151.385 130.445 -74.380 - 119.493 -90.733 144.151-152.296 - 92.535 73.189 116.022 136.042 - 91.289 51.491 149.938 -41.650 - 92.769 165.543 116.139-129.911 - 119.394-178.262 119.702 -82.059 - 139.216 -66.891 0.000 0.000 - 95.769 7.684 0.000 0.000 - 105.605-148.348 96.703 -88.962 - 130.265-171.621 125.236 -81.419 - 120.678-170.137 116.536 -78.042 - 139.911 168.218 0.000 0.000 - 114.646 42.632 119.576 -66.868 - 93.825 117.392 101.773-118.245 - 92.118 51.312 130.712-155.044 - 101.673-126.151 92.613 -92.965 - 121.573 0.000 121.390 -80.564 - # 176 total E -3.33259E+01 rmsd from N 0.000 %NC 0.00 - 93.582 15.992 141.070-115.156 - 120.200 -89.255 148.511-122.986 - 92.175 124.314 127.847 -34.004 - 92.029 39.103 120.490-101.331 - 91.542 95.999 96.464 -89.075 - 117.857 24.432 136.297 129.747 - 92.447 -67.759 140.504 -46.588 - 94.070 -10.844 133.382-125.014 - 96.163 165.270 106.032 -80.785 - 140.511 178.414 0.000 0.000 - 118.352-169.767 0.000 0.000 - 119.348 -81.828 110.745-111.912 - 92.970 -8.575 114.658 -76.266 - 115.807-155.578 144.223 -74.137 - 141.511-117.031 0.000 0.000 - 128.210 -72.320 139.341 -39.390 - 114.543-141.087 99.763 -83.867 - 118.342 135.017 116.243-119.857 - 117.778 67.742 117.588-123.487 - 117.374 0.000 136.204-132.657 - # 177 total E -3.31198E+01 rmsd from N 0.000 %NC 0.00 - 111.026 165.022 139.767-107.689 - 116.810 122.519 154.986-177.081 - 131.685-100.169 165.120 161.126 - 94.730 88.291 138.054-103.009 - 91.756 -84.227 106.719 -98.337 - 114.704-177.102 129.675 -41.107 - 124.867-177.358 148.047-158.235 - 117.523 179.190 137.321-103.141 - 120.363 -63.898 157.046-155.905 - 125.242-158.410 0.000 0.000 - 93.424 45.846 0.000 0.000 - 90.520 55.906 132.985-159.014 - 91.152 146.633 112.496 -76.527 - 133.065 -72.011 124.546 -84.334 - 119.120 1.789 0.000 0.000 - 117.105 -85.454 112.370-121.200 - 115.274 46.915 122.606-133.508 - 92.894 121.831 104.708-112.855 - 119.191 -23.453 121.171-126.097 - 93.384 0.000 109.873 -76.307 - # 178 total E -3.22168E+01 rmsd from N 0.000 %NC 0.00 - 93.621 47.278 144.170-135.722 - 91.674 88.376 134.170 -20.002 - 91.246 45.075 95.082 -86.566 - 90.609 43.212 173.025 178.593 - 89.830 50.787 130.515-108.966 - 92.944 74.541 144.989 22.052 - 92.335 -75.403 152.822-103.078 - 94.656 -50.913 137.901-103.970 - 93.585 10.200 142.705-127.915 - 151.036 -34.233 0.000 0.000 - 96.129 91.940 0.000 0.000 - 131.586 76.501 103.466 -97.029 - 132.327-140.976 123.480 -78.775 - 94.622 17.891 115.710 -76.229 - 125.922 -76.465 0.000 0.000 - 123.529-151.413 136.157 106.780 - 118.721 20.941 117.022-127.520 - 116.694 49.044 116.432-122.328 - 111.160-121.807 123.029-134.091 - 121.926 0.000 122.004 -80.907 - # 179 total E -3.20985E+01 rmsd from N 0.000 %NC 0.00 - 116.991 -74.682 151.273 -18.156 - 115.432 116.763 153.425-132.379 - 130.709 -99.174 150.698 -5.369 - 93.362 79.329 148.789 -91.389 - 92.563 155.730 123.022-127.153 - 117.784 175.230 159.925 177.127 - 112.707 170.494 162.995 -19.565 - 94.057 127.585 120.253-148.407 - 90.547 -40.881 143.957-100.100 - 95.566 -43.734 0.000 0.000 - 105.949 -11.480 0.000 0.000 - 99.244 -42.055 124.559-140.602 - 95.387 -26.223 121.445 -74.868 - 97.884 1.326 112.911 -77.017 - 145.002 -78.397 0.000 0.000 - 93.685 42.586 132.725 -50.992 - 112.829 138.414 117.486-128.267 - 123.835-172.081 124.534-130.105 - 93.435 112.058 132.521-156.085 - 118.566 0.000 116.388 -81.542 - # 180 total E -3.18608E+01 rmsd from N 0.000 %NC 0.00 - 93.622 106.808 144.460-133.851 - 109.781 161.344 134.324 -39.330 - 93.831 86.347 125.485-115.355 - 126.987-116.630 159.339-176.069 - 93.128 121.503 113.283 -25.599 - 124.922 -82.660 108.312 -98.992 - 92.848 82.332 139.041-155.296 - 93.247 142.938 138.922 -89.729 - 111.992 -83.111 109.154 -82.782 - 95.968 56.164 0.000 0.000 - 135.332 -69.308 0.000 0.000 - 111.286 168.969 129.371-141.637 - 132.960-179.041 123.787 -81.363 - 115.726 178.572 120.618 -76.512 - 124.874 171.400 0.000 0.000 - 119.833 44.193 121.433-143.642 - 93.716 118.810 100.158-125.763 - 91.172 49.035 108.765-121.295 - 92.202 63.638 90.430 -99.895 - 93.356 0.000 109.571 -81.841 - # 181 total E -3.14474E+01 rmsd from N 0.000 %NC 0.00 - 116.434-144.876 151.828-148.583 - 120.763-176.676 168.081 -9.907 - 130.988 -89.907 164.967 13.441 - 93.461 77.782 133.079 -97.437 - 91.729 -96.228 96.268 -94.766 - 108.542-172.820 125.210 31.900 - 122.838 -79.932 176.414 -4.909 - 120.388-174.188 120.945-117.878 - 94.264 42.982 141.922-117.622 - 135.939 -69.199 0.000 0.000 - 125.222-141.502 0.000 0.000 - 114.897 174.102 132.506-145.017 - 124.681-179.999 148.286 -88.759 - 125.200-178.773 148.378 -48.473 - 124.631 171.272 0.000 0.000 - 129.959-102.920 137.842-153.967 - 123.052 134.108 117.341-121.220 - 123.777-172.136 117.028-117.773 - 110.663-118.563 98.819 -91.954 - 121.569 0.000 121.417 -80.514 - # 182 total E -3.11219E+01 rmsd from N 0.000 %NC 0.00 - 93.814 113.964 146.321 -24.560 - 117.793-178.626 150.470 -17.149 - 115.179 175.461 167.908-178.442 - 124.399 178.060 164.878 -82.900 - 92.100 -80.301 118.250-104.096 - 92.694 92.200 96.237 -81.548 - 92.559 77.286 135.431-107.369 - 126.772 -93.630 143.859-172.676 - 121.811-176.516 109.577 -79.963 - 136.203 -68.944 0.000 0.000 - 124.560 -36.490 0.000 0.000 - 114.939-178.800 127.226-136.206 - 124.383 179.745 121.200 -80.349 - 129.612 -65.511 120.723 -79.815 - 130.001 68.350 0.000 0.000 - 122.650 -99.068 107.688-119.890 - 117.644 39.627 122.993-132.635 - 93.170 116.455 104.488-114.059 - 92.605 131.661 104.878-116.586 - 118.482 0.000 130.316-140.821 - # 183 total E -3.08826E+01 rmsd from N 0.000 %NC 0.00 - 116.705-141.155 152.423-148.389 - 120.352 179.204 151.109 -18.991 - 117.490 169.037 168.550-178.810 - 119.626 177.747 145.431 -95.290 - 123.736 176.499 147.633-119.173 - 128.325-175.203 112.698-133.096 - 117.382-177.334 143.398 -74.990 - 122.586-177.172 126.836-138.695 - 122.282 179.979 154.302 -19.542 - 135.509 -75.536 0.000 0.000 - 121.477-167.768 0.000 0.000 - 96.451 -36.368 105.128-103.475 - 93.223 -45.762 113.159 -76.079 - 95.687 91.975 115.580 -76.626 - 131.551 -95.786 0.000 0.000 - 124.788-115.637 155.312 -41.179 - 93.794 54.124 104.671-147.758 - 93.899 130.562 105.414-116.326 - 118.034-120.580 125.782-135.328 - 121.811 0.000 121.602 -80.934 - # 184 total E -3.08180E+01 rmsd from N 0.000 %NC 0.00 - 116.728-147.597 153.001-148.598 - 123.668 -94.310 156.994-146.757 - 124.623-170.633 119.254 -72.406 - 114.430-178.912 131.887 -98.804 - 123.925 174.476 142.332-115.156 - 130.325 -76.443 108.621-131.267 - 111.194 113.011 174.809-157.390 - 119.979 -73.599 123.839-123.776 - 93.112 73.050 143.142-122.064 - 131.081 -8.826 0.000 0.000 - 94.330 47.402 0.000 0.000 - 104.181 174.078 122.600-135.121 - 93.423 100.951 114.522 -77.062 - 124.124-100.890 115.321 -80.063 - 130.192 -62.744 0.000 0.000 - 94.252 154.383 116.339 -28.091 - 121.097 141.962 118.389-125.425 - 126.244-172.764 112.591-109.492 - 117.790 143.077 126.816-135.079 - 119.819 0.000 119.748 -80.675 - # 185 total E -3.06609E+01 rmsd from N 0.000 %NC 0.00 - 93.777 92.081 149.019 -20.441 - 92.667 143.561 150.172-122.295 - 123.115 -69.268 129.518-125.158 - 107.624 -47.628 166.233-115.450 - 91.861 168.827 117.030 79.320 - 92.527 98.096 85.636-101.765 - 92.211 -54.686 146.365-136.524 - 93.120 89.977 129.246-125.328 - 94.233-164.224 141.058-122.228 - 128.342 -66.717 0.000 0.000 - 121.433 -35.164 0.000 0.000 - 113.040-178.867 129.072-140.405 - 125.413-178.766 121.448 -80.514 - 125.687-177.186 122.863 -78.406 - 121.736 170.960 0.000 0.000 - 120.922 45.758 124.305-141.846 - 93.228 127.362 100.243-127.356 - 121.779-172.587 118.694-123.140 - 116.160-113.045 131.392-142.209 - 94.635 0.000 116.408 -77.508 - # 186 total E -2.99889E+01 rmsd from N 0.000 %NC 0.00 - 93.771 32.881 144.821 -33.107 - 92.896 169.318 151.101-112.967 - 120.116 175.837 134.970-124.386 - 120.023-178.022 134.214 -64.947 - 92.055 -64.054 103.783-107.669 - 109.278-174.794 134.390 -37.472 - 122.080-176.957 145.758-158.478 - 122.716-177.953 148.018-102.895 - 121.806-179.678 107.697 -79.194 - 122.714 165.704 0.000 0.000 - 105.252 -19.240 0.000 0.000 - 94.787 -62.021 95.015 -98.711 - 92.408 78.656 135.883-107.320 - 130.786 -75.792 117.011 -77.513 - 126.711 -40.255 0.000 0.000 - 94.466 91.740 124.547-152.106 - 126.248-174.403 106.698-106.032 - 92.757 56.195 132.087-158.443 - 92.603 127.235 97.247 -95.232 - 120.856 0.000 112.688 -88.082 - # 187 total E -2.94995E+01 rmsd from N 0.000 %NC 0.00 - 93.697 35.303 110.987 -81.811 - 116.193-179.991 158.194-147.029 - 123.037 173.780 153.066 -3.025 - 118.266 175.868 160.290-122.495 - 123.308 175.777 160.279-114.420 - 127.846-176.221 113.837-140.587 - 116.831-178.114 149.891 -28.272 - 118.149 179.286 118.680-128.761 - 121.119 -67.039 158.466-157.713 - 126.299-168.164 0.000 0.000 - 132.988 -55.736 0.000 0.000 - 114.802 106.836 128.909-138.886 - 127.856-100.923 121.183 -80.048 - 125.452 -66.355 117.874 -79.167 - 124.519 -40.575 0.000 0.000 - 92.741 90.411 107.377 26.427 - 123.492-135.772 106.208-106.015 - 107.104 142.977 121.300-132.939 - 124.287 -27.755 113.586-113.292 - 119.430 0.000 120.050 -80.386 - # 188 total E -2.90249E+01 rmsd from N 0.000 %NC 0.00 - 118.151-160.450 107.844 -79.343 - 122.014-176.009 142.418 -1.151 - 121.700 -43.870 116.768 -98.240 - 129.119-160.704 123.866 -63.629 - 92.534-178.184 105.846-115.481 - 111.590 -60.822 131.718 -38.996 - 92.642 -36.885 147.876-174.426 - 94.059 99.389 134.332-133.194 - 126.255 14.660 149.684 -22.966 - 139.308 -24.764 0.000 0.000 - 140.212 -33.973 0.000 0.000 - 122.717 -77.531 117.555-118.801 - 137.234 -18.053 159.819 -79.858 - 122.708 139.048 147.956 -74.008 - 132.423 -61.042 0.000 0.000 - 92.617 85.804 108.972 28.319 - 119.415-169.372 106.006-105.522 - 124.092-171.801 113.230-112.307 - 93.973 17.941 100.741-111.591 - 120.466 0.000 122.199 -83.438 - # 189 total E -2.68726E+01 rmsd from N 0.000 %NC 0.00 - 117.456-116.003 153.629-160.585 - 117.709 161.869 143.277 -27.322 - 92.461 82.178 93.942 -80.528 - 94.965 11.191 167.957-154.879 - 92.959 -95.479 108.713 -32.522 - 120.892-171.306 123.988 -62.478 - 111.030 170.597 144.720 -41.595 - 92.861 88.070 124.951 -93.076 - 93.844 152.359 138.640-122.294 - 135.310 -74.018 0.000 0.000 - 129.933-131.822 0.000 0.000 - 119.001 174.745 125.010-130.566 - 125.587-179.781 120.988 -80.622 - 125.032-179.160 149.470 -66.031 - 126.561 172.594 0.000 0.000 - 116.571 76.150 128.690 -34.640 - 126.555-170.888 116.572-117.865 - 92.318 52.131 125.837-146.352 - 93.012 17.199 93.959 -96.001 - 117.949 0.000 118.913 -79.866 - # 190 total E -2.63878E+01 rmsd from N 0.000 %NC 0.00 - 93.730 95.255 109.534 -75.194 - 93.294 164.879 135.538 -21.616 - 93.432 74.556 91.098 -83.064 - 130.208 159.445 156.247 -55.477 - 91.580 61.600 128.575-148.851 - 119.196-109.448 137.110 22.507 - 93.792 145.613 144.121 122.756 - 108.683 179.533 119.321-126.166 - 128.048 173.894 164.120-167.125 - 133.913 -63.425 0.000 0.000 - 93.510 57.299 0.000 0.000 - 93.954 143.493 90.888 -57.181 - 117.468 165.256 146.838 -31.074 - 136.910 -70.854 123.046 -82.019 - 127.128 6.233 0.000 0.000 - 94.320 41.634 128.007-138.902 - 124.422 26.584 123.224-127.711 - 92.578 48.414 113.590-100.903 - 92.332 91.910 107.377-121.523 - 93.353 0.000 105.290 -84.218 - # 191 total E -2.58732E+01 rmsd from N 0.000 %NC 0.00 - 93.613 43.108 142.895-133.368 - 92.742 167.338 139.919 -56.895 - 117.310 163.159 142.307 39.900 - 92.771 71.421 120.267-125.734 - 92.174 108.086 129.149-154.587 - 109.988 -96.964 131.171-115.677 - 120.577 100.773 171.249-154.114 - 122.677-115.785 125.365-129.596 - 120.705 96.508 110.819 -79.961 - 135.128 8.227 0.000 0.000 - 135.072 -35.283 0.000 0.000 - 118.339-141.487 123.288-128.306 - 120.154-169.904 147.725-108.736 - 139.958 -56.310 124.062 -82.519 - 132.655 -6.688 0.000 0.000 - 126.732 -91.841 129.762 -46.768 - 124.224 25.830 119.716-123.402 - 93.411 52.100 104.523-115.161 - 124.465 -17.356 113.559-113.584 - 93.357 0.000 111.950 -75.286 - # 192 total E -2.54224E+01 rmsd from N 0.000 %NC 0.00 - 93.701 10.833 104.336 -81.505 - 92.795 156.195 127.236 -91.055 - 130.533 107.489 159.127 159.558 - 123.443 -94.168 141.181 -80.441 - 92.427 -20.762 130.131-143.988 - 123.050 87.798 162.371 158.550 - 93.131 165.329 161.272-162.561 - 120.757 -72.225 92.452 89.171 - 125.942 -59.170 155.642-156.849 - 131.971 -4.672 0.000 0.000 - 107.638 -32.112 0.000 0.000 - 103.628 168.179 130.458-147.678 - 118.282-178.033 121.420 -80.591 - 132.402-174.489 124.344 -80.228 - 117.954 172.718 0.000 0.000 - 123.156 46.962 127.971-139.755 - 93.198 126.703 100.138-127.729 - 121.552-172.343 120.631-124.590 - 113.013 144.482 132.305-144.555 - 120.040 0.000 118.703 -81.536 - # 193 total E -2.47448E+01 rmsd from N 0.000 %NC 0.00 - 118.775 -86.458 110.406 -77.888 - 121.348 -90.685 157.453 -13.201 - 136.129 -69.606 159.099 7.067 - 93.135 67.233 133.250 -92.386 - 91.730 91.138 85.389 -72.162 - 130.169-114.735 129.243 -58.613 - 118.747 119.884 166.266 -10.711 - 92.008 -23.969 145.251-105.780 - 91.271 -66.610 137.167-100.283 - 94.753 38.051 0.000 0.000 - 119.711 -72.662 0.000 0.000 - 90.769 -25.961 127.171-151.027 - 93.648 115.392 115.200 -76.303 - 116.294-104.702 136.799 -47.796 - 132.883 -81.206 0.000 0.000 - 93.110 36.280 151.568 127.197 - 115.279 55.227 122.750-132.872 - 127.478 145.678 105.603-103.092 - 113.224 150.436 137.006-155.253 - 93.746 0.000 116.456 -77.347 - # 194 total E -2.39301E+01 rmsd from N 0.000 %NC 0.00 - 112.051 -69.290 138.347-122.942 - 92.711 90.438 137.385 -47.459 - 141.580-103.432 101.337 -88.880 - 118.880-171.075 167.544-141.661 - 123.432-178.008 169.575-159.269 - 127.588 -81.441 138.390 -20.053 - 92.458 105.035 147.795 -97.333 - 122.138 -54.081 141.191 163.076 - 117.953 -37.960 150.911 -19.904 - 133.847 -47.683 0.000 0.000 - 136.308-132.103 0.000 0.000 - 119.962-142.849 114.102-114.681 - 105.722 168.701 138.157-124.202 - 134.632-172.755 121.208 -79.626 - 112.396 166.771 0.000 0.000 - 117.855 47.079 127.503-131.602 - 93.536 127.730 95.309-131.005 - 121.121-173.556 118.937-123.704 - 115.001 136.873 132.238-144.293 - 93.614 0.000 115.137 -77.376 - # 195 total E -2.13732E+01 rmsd from N 0.000 %NC 0.00 - 116.651-141.964 152.349-147.446 - 122.776-178.573 162.160-149.338 - 124.387 168.457 166.443 165.790 - 94.501 85.542 167.885-128.743 - 124.016-103.281 116.172 -68.501 - 120.503-179.820 176.448 151.422 - 117.931-179.160 162.618-160.319 - 126.160-176.813 152.285-173.574 - 121.648-178.049 149.881 -18.364 - 126.144 172.051 0.000 0.000 - 134.449 -58.059 0.000 0.000 - 116.209 172.508 126.842-134.879 - 93.960 97.286 114.714 -76.916 - 120.004 147.213 119.199 -80.342 - 134.102-100.764 0.000 0.000 - 123.176 26.290 136.622 -83.244 - 94.115 124.417 101.129-126.079 - 126.753-112.956 112.040-109.783 - 114.777 114.693 128.394-138.580 - 93.520 0.000 130.164-116.793 - # 196 total E -2.06615E+01 rmsd from N 0.000 %NC 0.00 - 119.876-128.750 106.643 -75.188 - 91.766 74.648 146.260 -48.875 - 93.155 118.656 162.168 19.023 - 90.577 155.973 139.188 -91.876 - 92.043 89.761 124.435-105.675 - 115.348 -55.042 139.100 7.506 - 93.855-178.239 144.361 -87.227 - 133.806-178.331 119.541-123.681 - 115.490-178.480 110.833 -76.308 - 125.954 172.052 0.000 0.000 - 134.142 -60.609 0.000 0.000 - 116.951 -85.347 124.275-130.640 - 114.962 84.307 119.076 -79.037 - 123.829-179.521 123.340 -77.331 - 115.895 74.899 0.000 0.000 - 121.233 -92.621 137.076 144.213 - 116.709 46.419 122.190-132.538 - 93.292 126.434 104.766-112.976 - 119.092-105.453 122.946-129.403 - 94.538 0.000 115.895 -77.569 - # 197 total E -2.06140E+01 rmsd from N 0.000 %NC 0.00 - 115.869 163.364 145.015 -18.663 - 92.035 73.186 143.202 -39.348 - 121.923-174.722 168.647 165.221 - 119.387 163.729 161.013-113.671 - 92.951 87.026 121.000 -96.407 - 123.166 -71.536 112.051-126.888 - 92.705 100.560 158.614-146.977 - 128.759 -92.512 135.821-128.692 - 120.103 -74.657 157.907-136.799 - 96.446 57.683 0.000 0.000 - 130.243 -79.958 0.000 0.000 - 110.368 113.942 133.931-151.445 - 134.907-109.255 120.043 -82.807 - 128.652 -78.080 116.396 -81.257 - 129.147 -74.143 0.000 0.000 - 93.024 36.286 117.622 30.188 - 116.589 51.990 120.947-130.272 - 93.862 126.642 96.331-106.192 - 93.357 5.108 102.963-116.003 - 118.522 0.000 119.336 -80.429 - # 198 total E -1.76808E+01 rmsd from N 0.000 %NC 0.00 - 115.986 175.323 146.326 -25.810 - 126.884 140.273 176.429-164.365 - 129.436-104.794 130.474-123.658 - 92.994 103.665 152.072 -91.520 - 92.130 -52.332 114.070 -92.028 - 93.525 96.877 81.573-105.966 - 116.586 108.393 144.002-111.545 - 91.898 -47.610 150.456 140.919 - 92.115 -34.675 110.236 -82.012 - 116.111 4.340 0.000 0.000 - 116.690-162.693 0.000 0.000 - 123.358 175.684 121.811-128.286 - 121.174-179.792 119.902 -80.189 - 124.566-179.166 144.058-109.098 - 125.996 170.553 0.000 0.000 - 116.195 36.969 122.839 -90.759 - 119.023 47.953 122.247-131.934 - 93.126 126.117 104.761-113.955 - 118.012 159.461 125.927-136.560 - 120.439 0.000 120.253 -80.744 - # 199 total E -1.24592E+01 rmsd from N 0.000 %NC 0.00 - 93.569 101.626 142.550-130.038 - 120.473-179.407 160.981-150.792 - 130.161 179.361 169.119 153.426 - 119.145-173.727 169.019-134.233 - 130.954-163.117 155.191 103.253 - 123.928 -96.297 139.639 -10.297 - 93.569 102.893 144.932 -45.075 - 129.160-100.258 148.665 161.228 - 125.379-171.286 151.377 -14.303 - 134.636 -69.418 0.000 0.000 - 137.945 -38.250 0.000 0.000 - 103.223 -34.738 92.681 -86.754 - 91.356 101.429 111.506 -72.981 - 93.840 32.231 110.631 -78.989 - 96.164 46.355 0.000 0.000 - 116.488 13.118 120.669-146.861 - 94.558 33.125 101.421-124.209 - 117.413 49.700 109.115-112.964 - 103.465-108.935 128.964-148.498 - 122.271 0.000 118.947 -83.390 - # 200 total E 3.19956E+01 rmsd from N 0.000 %NC 0.00 - 124.750 111.605 159.530 -7.327 - 126.208-107.708 135.441-138.991 - 147.376 -30.773 148.712-148.055 - 114.893 133.267 137.860 -81.465 - 110.505 4.873 147.030 139.836 - 135.016 -72.986 138.910-114.208 - 133.198 -47.722 150.438-106.892 - 140.754 31.072 159.894 8.552 - 124.780 151.947 154.400 8.315 - 96.671 -36.967 0.000 0.000 - 120.369 -66.204 0.000 0.000 - 130.572 -31.410 153.183 156.167 - 108.641 -91.210 147.808-126.569 - 133.266 161.518 144.937 -39.368 - 95.802 139.229 0.000 0.000 - 149.145-163.890 120.396 -78.163 - 113.202 173.231 122.720-131.706 - 88.961 119.814 103.362-110.884 - 96.843 -4.282 101.069 -94.969 - 91.912 0.000 109.516 -63.135 diff --git a/examples/unres/CSA/GAB/CSA/1l2y_csa.CSA.seed b/examples/unres/CSA/GAB/CSA/1l2y_csa.CSA.seed deleted file mode 100644 index 2f05bf8..0000000 --- a/examples/unres/CSA/GAB/CSA/1l2y_csa.CSA.seed +++ /dev/null @@ -1,5 +0,0 @@ - 1 2 40169 17 -85.951 157 -86.959 21 -85.937 24 -90.761 40 -90.338 - 139 -88.359 107 -89.285 161 -89.075 36 -88.216 1 -88.115 - 196 -88.871 200 -88.060 153 -88.055 184 -90.194 163 -87.894 - 79 -89.606 122 -88.104 124 -88.393 59 -88.270 183 -87.603 - diff --git a/examples/unres/CSA/GAB/CSA/1l2y_csa.inp b/examples/unres/CSA/GAB/CSA/1l2y_csa.inp deleted file mode 100644 index 7b2a812..0000000 --- a/examples/unres/CSA/GAB/CSA/1l2y_csa.inp +++ /dev/null @@ -1,17 +0,0 @@ -1l2y -SEED=-3059743 CSA MINIMIZE RESCALE_MODE=0 OVERLAP NOSEARCHSC -MAXMIN=3000 MAXFUN=1000 -NCONF=200 NSTMAX=300000 N1=5 N2=5 N6=10 N3=0 N4=0 N8=0 IS1=1 IS2=25 NSEED=20 & -NTOTAL=10000 CUT1=2.0 CUT2=5.0 ESTOP=-900000.0 IRESTART=0 NCONF_IN=0 & -DELE=30.0 DIFCUT=720.0 IREF=0 RMSCUT=4.0 IZ_SC=1 PNCCUT=0.6 & -ICMAX=1 IUCUT=2 NBANKM=200 -WLONG=1.35279 WSCP=1.59304 WELEC=0.71534 WBOND=1.00000 WANG=1.13873 & -WSCLOC=0.16258 WTOR=1.98599 WTORD=1.57069 WCORRH=0.42887 WCORR5=0.00000 & -WCORR6=0.00000 WEL_LOC=0.16036 WTURN3=1.68722 WTURN4=0.66230 WTURN6=0.00000 & -WVDWPP=0.11371 WHPB=1.00000 WSCCOR=0.00000 & -CUTOFF=7.00000 WCORR4=0.00000 -22 - D ASN LEU TYR ILE GLN TRP LEU LYS ASP GLY GLY PRO SER SER GLY ARG PRO PRO PRO - SER D -0 -0 diff --git a/examples/unres/CSA/GAB/CSA/1l2y_csa.intin b/examples/unres/CSA/GAB/CSA/1l2y_csa.intin deleted file mode 100644 index e69de29..0000000 diff --git a/examples/unres/CSA/GAB/CSA/1l2y_csa.out_GB000 b/examples/unres/CSA/GAB/CSA/1l2y_csa.out_GB000 deleted file mode 100644 index 2c1405a..0000000 --- a/examples/unres/CSA/GAB/CSA/1l2y_csa.out_GB000 +++ /dev/null @@ -1,53239 +0,0 @@ --------------------------------------------------------------------------------- - FILE ASSIGNMENT --------------------------------------------------------------------------------- - Input file : 1l2y_csa.inp - Output file : 1l2y_csa.out_GB000 - - Sidechain potential file : - /users/bartek/UNRESPACK/unres/PARAM/sc_GB_opt.1gab_3S_qclass5no310-shan2-sc-16- - 10-8k - SCp potential file : /users/bartek/UNRESPACK/unres/PARAM/scp.parm - Electrostatic potential file : - /users/bartek/UNRESPACK/unres/PARAM/electr_631Gdp.parm - Cumulant coefficient file : - /users/bartek/UNRESPACK/unres/PARAM/fourier_opt.parm.1igd_hc_iter3_3 - Torsional parameter file : - /users/bartek/UNRESPACK/unres/PARAM/torsion_631Gdp.parm - Double torsional parameter file : - /users/bartek/UNRESPACK/unres/PARAM/torsion_double_631Gdp.parm - SCCOR parameter file : /users/bartek/UNRESPACK/unres/PARAM/rotcorr_AM1.parm - Bond & inertia constant file : /users/bartek/UNRESPACK/unres/PARAM/bond.parm - Bending parameter file : - /users/bartek/UNRESPACK/unres/PARAM/thetaml.5parm - Rotamer parameter file : - /users/bartek/UNRESPACK/unres/PARAM/scgauss.parm - Threading database : - /users/bartek/UNRESPACK/unres/PARAM/patterns.cart --------------------------------------------------------------------------------- -******************************************************************************** -United-residue force field calculation - parallel job. -******************************************************************************** - ### LAST MODIFIED 11/03/09 1:19PM by czarek - ++++ Compile info ++++ - Version CSA and DFA only - -Potential is GB , exponents are 6 12 - -Disulfide bridge parameters: -S-S bridge energy: -5.50 -d0cm: 3.78 akcm: 15.10 -akth: 11.00 akct: 12.00 -v1ss: -1.08 v2ss: 7.61 v3ss: 13.70 - MPI: node= 0 iseed= -3059742 - ran_num 0.273754117333397 -RMSDBC = 3.0 -RMSDBC1 = 0.5 -RMSDBC1MAX = 1.5 -DRMS = 0.1 -RMSDBCM = 3.0 -Time limit (min): 960.0 - RESCALE_MODE 0 -Library routine used to diagonalize matrices. - -******************************************************************************** - Options in energy minimization: -******************************************************************************** -MaxMin: 3000 MaxFun: 1000MinMin: 3000 MinFun: 3000 TolF: 1.00000E-02 RTolF: 1.00000E-04 - NCONF_IN 0 - -Energy-term weights (unscaled): - -WSCC= 1.352790 (SC-SC) -WSCP= 1.593040 (SC-p) -WELEC= 0.715340 (p-p electr) -WVDWPP= 0.113710 (p-p VDW) -WBOND= 1.000000 (stretching) -WANG= 1.138730 (bending) -WSCLOC= 0.162580 (SC local) -WTOR= 1.985990 (torsional) -WTORD= 1.570690 (double torsional) -WSTRAIN= 1.000000 (SS bridges & dist. cnstr.) -WEL_LOC= 0.160360 (multi-body 3-rd order) -WCORR4= 0.428870 (multi-body 4th order) -WCORR5= 0.000000 (multi-body 5th order) -WCORR6= 0.000000 (multi-body 6th order) -WSCCOR= 0.000000 (back-scloc correlation) -WTURN3= 1.687220 (turns, 3rd order) -WTURN4= 0.662300 (turns, 4th order) -WTURN6= 0.000000 (turns, 6th order) -WDFA_D= 0.000000 (DFA, distance) -WDFA_T= 0.000000 (DFA, torsional) -WDFA_N= 0.000000 (DFA, number of neighbor) -WDFA_B= 0.000000 (DFA, beta formation) - -Hydrogen-bonding correlation between contact pairs of peptide groups - -Scaling factor of 1,4 SC-p interactions: 0.400 -General scaling factor of SC-p interactions: 1.000 - -Energy-term weights (scaled): - -WSCC= 1.352790 (SC-SC) -WSCP= 1.593040 (SC-p) -WELEC= 0.715340 (p-p electr) -WVDWPP= 0.113710 (p-p VDW) -WBOND= 1.000000 (stretching) -WANG= 1.138730 (bending) -WSCLOC= 0.162580 (SC local) -WTOR= 1.985990 (torsional) -WTORD= 1.570690 (double torsional) -WSTRAIN= 1.000000 (SS bridges & dist. cnstr.) -WEL_LOC= 0.160360 (multi-body 3-rd order) -WCORR4= 0.428870 (multi-body 4th order) -WCORR5= 0.000000 (multi-body 5th order) -WCORR6= 0.000000 (multi-body 6th order) -WSCCOR= 0.000000 (back-scloc correlatkion) -WTURN3= 1.687220 (turns, 3rd order) -WTURN4= 0.662300 (turns, 4th order) -WTURN6= 0.000000 (turns, 6th order) -WDFA_D= 0.000000 (DFA, distance) -WDFA_T= 0.000000 (DFA, torsional) -WDFA_N= 0.000000 (DFA, number of neighbor) -WDFA_B= 0.000000 (DFA, beta formation) - Reference temperature for weights calculation: 300.000000000000 - Parameters of the SS-bond potential: - D0CM 3.78000000000000 AKCM 15.1000000000000 AKTH - 11.0000000000000 AKCT 12.0000000000000 - V1SS -1.08000000000000 V2SS 7.61000000000000 V3SS - 13.7000000000000 - EBR -5.50000000000000 - ITEL - 1 21 0 - 2 14 1 - 3 5 1 - 4 8 1 - 5 4 1 - 6 13 1 - 7 7 1 - 8 5 1 - 9 19 1 - 10 16 1 - 11 10 1 - 12 10 2 - 13 20 1 - 14 12 1 - 15 12 1 - 16 10 1 - 17 18 2 - 18 20 2 - 19 20 2 - 20 20 1 - 21 12 0 - ns= 0 iss: -Boundaries in phi angle sampling: -D 1 -180.0 180.0 -ASN 2 -180.0 180.0 -LEU 3 -180.0 180.0 -TYR 4 -180.0 180.0 -ILE 5 -180.0 180.0 -GLN 6 -180.0 180.0 -TRP 7 -180.0 180.0 -LEU 8 -180.0 180.0 -LYS 9 -180.0 180.0 -ASP 10 -180.0 180.0 -GLY 11 -180.0 180.0 -GLY 12 -180.0 180.0 -PRO 13 -180.0 180.0 -SER 14 -180.0 180.0 -SER 15 -180.0 180.0 -GLY 16 -180.0 180.0 -ARG 17 -180.0 180.0 -PRO 18 -180.0 180.0 -PRO 19 -180.0 180.0 -PRO 20 -180.0 180.0 -SER 21 -180.0 180.0 -D 22 -180.0 180.0 - NZ_START= 2 NZ_END= 21 - IZ_SC= 0 - -Geometry of the virtual chain. - Res d Theta Gamma Dsc Alpha Beta -D 1 0.000 0.000 0.000 0.000 0.000 0.000 -ASN 2 3.800 0.000 0.000 1.684 0.000 0.000 -LEU 3 3.800 0.000 0.000 1.939 0.000 0.000 -TYR 4 3.800 0.000 0.000 2.484 0.000 0.000 -ILE 5 3.800 0.000 0.000 1.776 0.000 0.000 -GLN 6 3.800 0.000 0.000 2.240 0.000 0.000 -TRP 7 3.800 0.000 0.000 2.605 0.000 0.000 -LEU 8 3.800 0.000 0.000 1.939 0.000 0.000 -LYS 9 3.800 0.000 0.000 2.541 0.000 0.000 -ASP 10 3.800 0.000 0.000 1.709 0.000 0.000 -GLY 11 3.800 0.000 0.000 0.000 0.000 0.000 -GLY 12 3.800 0.000 0.000 0.000 0.000 0.000 -PRO 13 3.800 0.000 0.000 1.345 0.000 0.000 -SER 14 3.800 0.000 0.000 1.150 0.000 0.000 -SER 15 3.800 0.000 0.000 1.150 0.000 0.000 -GLY 16 3.800 0.000 0.000 0.000 0.000 0.000 -ARG 17 3.800 0.000 0.000 3.020 0.000 0.000 -PRO 18 3.800 0.000 0.000 1.345 0.000 0.000 -PRO 19 3.800 0.000 0.000 1.345 0.000 0.000 -PRO 20 3.800 0.000 0.000 1.345 0.000 0.000 -SER 21 3.800 0.000 0.000 1.150 0.000 0.000 -D 22 3.800 0.000 0.000 0.000 0.000 0.000 - - -******************************************************************************** - Processor 0: end reading molecular data. -******************************************************************************** - - -CSA calculations calculation. - -Conformations will be energy-minimized. -******************************************************************************** - - - # of groups: 37 - 1 2 1 2 1 2 2 1 - 2 2 1 3 1 2 3 1 - 3 2 1 4 1 2 4 1 - 4 2 1 5 1 2 5 1 - 5 2 1 6 1 2 6 1 - 6 2 1 7 1 2 7 1 - 7 2 1 8 1 2 8 1 - 8 2 1 9 1 2 9 1 - 9 2 1 10 1 2 10 1 - 10 2 1 11 1 2 11 1 - 11 2 1 12 1 2 12 1 - 12 2 1 13 1 2 13 1 - 13 2 1 14 1 2 14 1 - 14 2 1 15 1 2 15 1 - 15 2 1 16 1 2 16 1 - 16 2 1 17 1 2 17 1 - 17 2 1 18 1 2 18 1 - 18 2 1 19 1 2 19 1 - 19 2 1 20 1 2 20 1 - 20 1 1 21 1 - 21 2 3 2 1 4 2 1 - 22 2 3 3 1 4 3 1 - 23 2 3 4 1 4 4 1 - 24 2 3 5 1 4 5 1 - 25 2 3 6 1 4 6 1 - 26 2 3 7 1 4 7 1 - 27 2 3 8 1 4 8 1 - 28 2 3 9 1 4 9 1 - 29 2 3 10 1 4 10 1 - 30 2 3 13 1 4 13 1 - 31 2 3 14 1 4 14 1 - 32 2 3 15 1 4 15 1 - 33 2 3 17 1 4 17 1 - 34 2 3 18 1 4 18 1 - 35 2 3 19 1 4 19 1 - 36 2 3 20 1 4 20 1 - 37 2 3 21 1 4 21 1 - NCONF_IN 0 - -Geometry of the virtual chain. - Res d Theta Gamma Dsc Alpha Beta -D 1 0.000 0.000 0.000 0.000 0.000 0.000 -ASN 2 3.800 0.000 0.000 1.684 117.433 -123.282 -LEU 3 3.800 103.337 0.000 1.939 149.062 -30.326 -TYR 4 3.800 104.310 100.718 2.484 89.790 -93.973 -ILE 5 3.800 128.994 -150.632 1.776 162.587 -113.210 -GLN 6 3.800 101.352 48.740 2.240 155.687 -104.256 -TRP 7 3.800 108.638 26.197 2.605 147.340 -0.192 -LEU 8 3.800 104.006 -177.705 1.939 156.206 -174.850 -LYS 9 3.800 110.738 1.982 2.541 157.874 -47.662 -ASP 10 3.800 112.963 -7.938 1.709 136.263 -116.568 -GLY 11 3.800 92.682 -61.044 0.000 0.000 0.000 -GLY 12 3.800 103.182 43.162 0.000 0.000 0.000 -PRO 13 3.800 126.717 -144.405 1.345 129.642 -137.771 -SER 14 3.800 115.615 118.963 1.150 144.293 -124.319 -SER 15 3.800 130.363 92.480 1.150 139.438 -83.956 -GLY 16 3.800 101.587 -126.499 0.000 0.000 0.000 -ARG 17 3.800 133.991 102.140 3.020 142.819 140.010 -PRO 18 3.800 109.489 -111.656 1.345 125.885 -134.113 -PRO 19 3.800 118.517 156.441 1.345 115.783 -111.273 -PRO 20 3.800 109.599 18.756 1.345 126.917 -138.286 -SER 21 3.800 124.060 58.459 1.150 99.360 -65.762 -D 22 3.800 126.104 -132.946 0.000 0.000 0.000 - -Geometry of the virtual chain. - Res d Theta Gamma Dsc Alpha Beta -D 1 0.000 0.000 0.000 0.000 0.000 0.000 -ASN 2 3.800 0.000 0.000 1.684 137.510 -123.647 -LEU 3 3.800 108.071 0.000 1.939 152.762 -96.123 -TYR 4 3.800 115.431 -46.516 2.484 144.989 164.807 -ILE 5 3.800 88.516 175.380 1.776 160.644 -29.267 -GLN 6 3.800 110.698 -169.605 2.240 144.149 -149.010 -TRP 7 3.800 87.343 11.223 2.605 116.992 -17.342 -LEU 8 3.800 84.623 -164.047 1.939 144.685 -91.998 -LYS 9 3.800 89.826 -40.284 2.541 163.191 6.240 -ASP 10 3.800 107.634 -14.624 1.709 146.931 -31.622 -GLY 11 3.800 122.184 -70.921 0.000 0.000 0.000 -GLY 12 3.800 121.030 162.260 0.000 0.000 0.000 -PRO 13 3.800 111.604 168.595 1.345 117.596 -148.275 -SER 14 3.800 138.202 37.849 1.150 154.490 -99.569 -SER 15 3.800 91.109 -110.431 1.150 105.695 -59.302 -GLY 16 3.800 108.217 -144.951 0.000 0.000 0.000 -ARG 17 3.800 126.393 -89.505 3.020 111.637 -66.449 -PRO 18 3.800 113.731 56.993 1.345 91.226 -109.537 -PRO 19 3.800 75.862 146.257 1.345 135.818 -179.553 -PRO 20 3.800 150.179 148.400 1.345 160.361 29.891 -SER 21 3.800 171.000 -98.561 1.150 102.353 -66.651 -D 22 3.800 104.628 -102.798 0.000 0.000 0.000 - -Geometry of the virtual chain. - Res d Theta Gamma Dsc Alpha Beta -D 1 0.000 0.000 0.000 0.000 0.000 0.000 -ASN 2 3.800 0.000 0.000 1.684 139.604 -145.597 -LEU 3 3.800 95.805 0.000 1.939 137.842 -94.300 -TYR 4 3.800 98.678 130.714 2.484 138.133 -147.962 -ILE 5 3.800 99.041 83.603 1.776 144.832 -84.057 -GLN 6 3.800 86.077 66.293 2.240 135.951 -34.256 -TRP 7 3.800 108.579 168.676 2.605 140.414 -123.169 -LEU 8 3.800 140.162 69.727 1.939 148.382 -49.309 -LYS 9 3.800 111.771 -64.105 2.541 150.011 -120.161 -ASP 10 3.800 124.978 55.443 1.709 133.587 -77.722 -GLY 11 3.800 103.439 -17.352 0.000 0.000 0.000 -GLY 12 3.800 133.461 153.155 0.000 0.000 0.000 -PRO 13 3.800 107.951 -146.680 1.345 101.340 -119.561 -SER 14 3.800 106.580 158.319 1.150 158.671 -68.662 -SER 15 3.800 92.444 -8.183 1.150 101.428 -69.974 -GLY 16 3.800 121.329 89.138 0.000 0.000 0.000 -ARG 17 3.800 88.790 73.069 3.020 133.687 -29.669 -PRO 18 3.800 119.333 147.380 1.345 119.990 -122.746 -PRO 19 3.800 112.065 38.581 1.345 136.168 -144.826 -PRO 20 3.800 124.189 -92.346 1.345 134.224 -172.489 -SER 21 3.800 144.189 72.717 1.150 144.988 -3.390 -D 22 3.800 125.114 -161.295 0.000 0.000 0.000 - -Geometry of the virtual chain. - Res d Theta Gamma Dsc Alpha Beta -D 1 0.000 0.000 0.000 0.000 0.000 0.000 -ASN 2 3.800 0.000 0.000 1.684 144.547 -29.478 -LEU 3 3.800 113.219 0.000 1.939 145.708 -124.916 -TYR 4 3.800 119.863 -102.593 2.484 150.662 -9.914 -ILE 5 3.800 115.283 -150.296 1.776 159.795 -53.583 -GLN 6 3.800 120.109 -115.070 2.240 151.022 135.685 -TRP 7 3.800 122.216 103.813 2.605 143.112 6.044 -LEU 8 3.800 136.277 61.972 1.939 136.588 -117.466 -LYS 9 3.800 114.084 116.013 2.541 126.904 11.276 -ASP 10 3.800 103.386 24.626 1.709 147.446 4.570 -GLY 11 3.800 116.761 -157.267 0.000 0.000 0.000 -GLY 12 3.800 99.186 176.424 0.000 0.000 0.000 -PRO 13 3.800 117.258 172.836 1.345 124.494 -179.021 -SER 14 3.800 154.983 -85.900 1.150 146.670 -64.904 -SER 15 3.800 101.836 -108.725 1.150 159.348 -122.179 -GLY 16 3.800 110.413 55.028 0.000 0.000 0.000 -ARG 17 3.800 133.484 107.391 3.020 117.589 -83.703 -PRO 18 3.800 135.704 -27.978 1.345 136.676 162.534 -PRO 19 3.800 157.607 -124.125 1.345 100.010 -111.138 -PRO 20 3.800 96.934 94.241 1.345 115.698 -88.687 -SER 21 3.800 61.390 153.441 1.150 85.873 -41.147 -D 22 3.800 164.100 175.557 0.000 0.000 0.000 - -Geometry of the virtual chain. - Res d Theta Gamma Dsc Alpha Beta -D 1 0.000 0.000 0.000 0.000 0.000 0.000 -ASN 2 3.800 0.000 0.000 1.684 142.619 -52.855 -LEU 3 3.800 120.082 0.000 1.939 147.031 -114.679 -TYR 4 3.800 114.596 154.545 2.484 108.992 -99.593 -ILE 5 3.800 117.296 132.516 1.776 149.563 -68.567 -GLN 6 3.800 100.254 162.711 2.240 143.303 -130.665 -TRP 7 3.800 93.254 -79.265 2.605 145.074 -17.980 -LEU 8 3.800 116.499 119.900 1.939 155.433 -0.988 -LYS 9 3.800 92.587 93.788 2.541 131.837 -150.446 -ASP 10 3.800 121.411 -24.683 1.709 142.236 -90.961 -GLY 11 3.800 93.702 -110.445 0.000 0.000 0.000 -GLY 12 3.800 107.454 177.782 0.000 0.000 0.000 -PRO 13 3.800 119.998 -138.259 1.345 90.170 -107.542 -SER 14 3.800 93.381 141.731 1.150 96.786 -61.327 -SER 15 3.800 127.442 101.782 1.150 127.477 -33.668 -GLY 16 3.800 103.473 94.546 0.000 0.000 0.000 -ARG 17 3.800 146.090 -78.510 3.020 160.170 102.366 -PRO 18 3.800 96.817 157.989 1.345 124.569 -131.230 -PRO 19 3.800 122.606 -84.679 1.345 91.736 -102.556 -PRO 20 3.800 74.107 -48.919 1.345 124.622 -135.025 -SER 21 3.800 128.745 83.662 1.150 118.854 -83.500 -D 22 3.800 84.436 -177.200 0.000 0.000 0.000 - -Geometry of the virtual chain. - Res d Theta Gamma Dsc Alpha Beta -D 1 0.000 0.000 0.000 0.000 0.000 0.000 -ASN 2 3.800 0.000 0.000 1.684 158.906 -33.138 -LEU 3 3.800 139.221 0.000 1.939 140.089 -127.980 -TYR 4 3.800 120.055 71.839 2.484 113.424 -95.129 -ILE 5 3.800 135.416 -41.521 1.776 158.861 -84.081 -GLN 6 3.800 123.392 30.666 2.240 125.294 -115.361 -TRP 7 3.800 93.489 -111.786 2.605 87.443 -63.870 -LEU 8 3.800 158.282 28.377 1.939 108.213 -56.783 -LYS 9 3.800 162.592 89.791 2.541 165.942 -121.935 -ASP 10 3.800 118.426 -129.517 1.709 151.563 -29.127 -GLY 11 3.800 97.877 -114.379 0.000 0.000 0.000 -GLY 12 3.800 127.444 -143.283 0.000 0.000 0.000 -PRO 13 3.800 162.668 -1.418 1.345 122.701 -135.777 -SER 14 3.800 134.928 140.192 1.150 114.131 -84.318 -SER 15 3.800 147.089 107.596 1.150 93.191 -57.903 -GLY 16 3.800 109.183 -64.379 0.000 0.000 0.000 -ARG 17 3.800 112.154 -84.992 3.020 136.681 -167.906 -PRO 18 3.800 123.187 -69.196 1.345 117.727 -117.137 -PRO 19 3.800 111.737 -107.382 1.345 100.121 -107.391 -PRO 20 3.800 82.919 -151.455 1.345 100.341 -107.323 -SER 21 3.800 88.048 -163.634 1.150 142.369 -94.176 -D 22 3.800 124.982 -175.724 0.000 0.000 0.000 - -Geometry of the virtual chain. - Res d Theta Gamma Dsc Alpha Beta -D 1 0.000 0.000 0.000 0.000 0.000 0.000 -ASN 2 3.800 0.000 0.000 1.684 141.755 -132.651 -LEU 3 3.800 100.278 0.000 1.939 155.897 -151.895 -TYR 4 3.800 118.230 139.462 2.484 126.989 -134.322 -ILE 5 3.800 120.006 41.806 1.776 151.126 -81.454 -GLN 6 3.800 165.653 -21.665 2.240 149.070 -170.100 -TRP 7 3.800 108.382 -81.311 2.605 133.631 -146.662 -LEU 8 3.800 115.416 -93.068 1.939 154.829 -112.833 -LYS 9 3.800 109.954 -169.842 2.541 165.547 -161.260 -ASP 10 3.800 119.832 -24.449 1.709 151.939 -153.478 -GLY 11 3.800 90.386 46.146 0.000 0.000 0.000 -GLY 12 3.800 109.386 118.543 0.000 0.000 0.000 -PRO 13 3.800 152.658 -63.956 1.345 120.123 -120.928 -SER 14 3.800 110.781 72.926 1.150 144.228 -29.273 -SER 15 3.800 96.289 141.380 1.150 83.241 -57.156 -GLY 16 3.800 145.783 -70.444 0.000 0.000 0.000 -ARG 17 3.800 130.450 -170.674 3.020 145.363 -66.883 -PRO 18 3.800 114.043 55.611 1.345 113.937 -116.517 -PRO 19 3.800 113.674 -64.919 1.345 118.222 -117.024 -PRO 20 3.800 109.688 -81.003 1.345 132.547 -170.279 -SER 21 3.800 147.660 -84.504 1.150 134.132 -97.715 -D 22 3.800 106.202 -15.162 0.000 0.000 0.000 - -Geometry of the virtual chain. - Res d Theta Gamma Dsc Alpha Beta -D 1 0.000 0.000 0.000 0.000 0.000 0.000 -ASN 2 3.800 0.000 0.000 1.684 148.139 -174.595 -LEU 3 3.800 103.110 0.000 1.939 173.893 -127.574 -TYR 4 3.800 90.438 -128.580 2.484 102.930 -85.758 -ILE 5 3.800 154.431 -131.553 1.776 146.623 -84.059 -GLN 6 3.800 83.669 128.046 2.240 148.789 -100.154 -TRP 7 3.800 91.557 -76.999 2.605 168.959 161.993 -LEU 8 3.800 134.961 -46.284 1.939 137.817 -166.594 -LYS 9 3.800 134.813 -133.386 2.541 173.012 128.188 -ASP 10 3.800 97.959 64.841 1.709 160.251 -93.608 -GLY 11 3.800 77.659 134.749 0.000 0.000 0.000 -GLY 12 3.800 130.861 167.349 0.000 0.000 0.000 -PRO 13 3.800 118.325 46.663 1.345 103.344 -117.008 -SER 14 3.800 95.979 175.931 1.150 153.550 -140.409 -SER 15 3.800 122.376 74.730 1.150 138.978 -45.029 -GLY 16 3.800 100.912 139.021 0.000 0.000 0.000 -ARG 17 3.800 169.119 160.868 3.020 141.653 -136.665 -PRO 18 3.800 95.994 -25.744 1.345 111.451 -113.790 -PRO 19 3.800 113.824 -164.513 1.345 124.777 -142.632 -PRO 20 3.800 135.426 30.903 1.345 89.827 -89.845 -SER 21 3.800 58.655 -111.136 1.150 88.625 -65.472 -D 22 3.800 146.456 -24.817 0.000 0.000 0.000 - -Geometry of the virtual chain. - Res d Theta Gamma Dsc Alpha Beta -D 1 0.000 0.000 0.000 0.000 0.000 0.000 -ASN 2 3.800 0.000 0.000 1.684 135.167 -117.428 -LEU 3 3.800 101.724 0.000 1.939 144.783 -28.572 -TYR 4 3.800 97.625 -67.263 2.484 138.958 163.728 -ILE 5 3.800 117.151 172.681 1.776 162.895 -71.116 -GLN 6 3.800 114.033 74.948 2.240 159.743 -108.964 -TRP 7 3.800 146.342 -156.292 2.605 91.466 -101.227 -LEU 8 3.800 160.141 -115.394 1.939 156.416 -101.104 -LYS 9 3.800 92.244 -93.819 2.541 156.260 -134.199 -ASP 10 3.800 103.876 -76.047 1.709 159.431 29.710 -GLY 11 3.800 88.420 159.632 0.000 0.000 0.000 -GLY 12 3.800 128.907 179.362 0.000 0.000 0.000 -PRO 13 3.800 128.420 -66.284 1.345 108.165 -119.018 -SER 14 3.800 87.750 147.303 1.150 136.674 -74.181 -SER 15 3.800 102.264 -136.117 1.150 124.507 0.349 -GLY 16 3.800 129.861 0.254 0.000 0.000 0.000 -ARG 17 3.800 138.401 110.372 3.020 129.760 -133.253 -PRO 18 3.800 134.490 -98.546 1.345 98.889 -98.308 -PRO 19 3.800 96.193 144.122 1.345 110.188 -106.111 -PRO 20 3.800 89.123 34.363 1.345 115.882 -89.755 -SER 21 3.800 55.214 120.610 1.150 98.696 -67.176 -D 22 3.800 137.895 -158.309 0.000 0.000 0.000 - -Geometry of the virtual chain. - Res d Theta Gamma Dsc Alpha Beta -D 1 0.000 0.000 0.000 0.000 0.000 0.000 -ASN 2 3.800 0.000 0.000 1.684 139.085 -145.878 -LEU 3 3.800 97.167 0.000 1.939 162.282 -25.831 -TYR 4 3.800 93.952 48.199 2.484 145.881 -161.332 -ILE 5 3.800 111.945 -156.138 1.776 167.140 163.933 -GLN 6 3.800 126.282 26.099 2.240 127.292 -128.633 -TRP 7 3.800 104.792 -104.193 2.605 148.931 -66.539 -LEU 8 3.800 127.153 -93.872 1.939 107.505 -44.600 -LYS 9 3.800 155.586 24.831 2.541 128.604 -78.813 -ASP 10 3.800 106.881 113.721 1.709 146.027 5.109 -GLY 11 3.800 103.835 -72.341 0.000 0.000 0.000 -GLY 12 3.800 120.666 -3.413 0.000 0.000 0.000 -PRO 13 3.800 106.382 172.696 1.345 111.892 -121.329 -SER 14 3.800 127.795 -79.562 1.150 127.337 -113.571 -SER 15 3.800 96.506 7.890 1.150 154.597 -58.502 -GLY 16 3.800 103.283 37.869 0.000 0.000 0.000 -ARG 17 3.800 119.140 55.691 3.020 171.151 137.192 -PRO 18 3.800 121.518 -59.722 1.345 118.437 -133.514 -PRO 19 3.800 143.795 95.925 1.345 120.998 -134.420 -PRO 20 3.800 123.342 -148.239 1.345 103.063 -135.817 -SER 21 3.800 91.489 -50.342 1.150 111.374 -60.659 -D 22 3.800 90.421 156.252 0.000 0.000 0.000 - -Geometry of the virtual chain. - Res d Theta Gamma Dsc Alpha Beta -D 1 0.000 0.000 0.000 0.000 0.000 0.000 -ASN 2 3.800 0.000 0.000 1.684 146.334 -155.826 -LEU 3 3.800 119.461 0.000 1.939 154.589 -12.632 -TYR 4 3.800 90.590 -114.285 2.484 99.988 -75.460 -ILE 5 3.800 145.398 -91.063 1.776 130.763 -74.107 -GLN 6 3.800 151.328 54.840 2.240 127.595 -87.494 -TRP 7 3.800 94.460 167.035 2.605 162.882 175.706 -LEU 8 3.800 114.889 106.881 1.939 147.447 -168.778 -LYS 9 3.800 97.660 155.093 2.541 166.741 -121.242 -ASP 10 3.800 109.769 43.909 1.709 115.315 -78.731 -GLY 11 3.800 133.072 84.829 0.000 0.000 0.000 -GLY 12 3.800 139.883 -31.961 0.000 0.000 0.000 -PRO 13 3.800 107.555 15.994 1.345 123.177 -123.139 -SER 14 3.800 106.469 162.518 1.150 82.154 -61.288 -SER 15 3.800 128.201 108.039 1.150 130.227 -121.154 -GLY 16 3.800 123.951 -70.598 0.000 0.000 0.000 -ARG 17 3.800 123.758 120.177 3.020 131.090 -68.425 -PRO 18 3.800 95.915 15.257 1.345 104.138 -112.434 -PRO 19 3.800 69.663 169.117 1.345 118.375 -129.755 -PRO 20 3.800 124.578 -41.158 1.345 121.485 -143.184 -SER 21 3.800 138.253 -113.249 1.150 104.444 -67.509 -D 22 3.800 102.067 78.536 0.000 0.000 0.000 - -Geometry of the virtual chain. - Res d Theta Gamma Dsc Alpha Beta -D 1 0.000 0.000 0.000 0.000 0.000 0.000 -ASN 2 3.800 0.000 0.000 1.684 144.297 -18.510 -LEU 3 3.800 127.150 0.000 1.939 161.322 -14.053 -TYR 4 3.800 91.843 -114.918 2.484 164.972 -172.795 -ILE 5 3.800 116.015 -119.832 1.776 148.687 -75.335 -GLN 6 3.800 78.791 -134.660 2.240 150.595 -58.755 -TRP 7 3.800 110.414 -72.594 2.605 152.070 -102.650 -LEU 8 3.800 132.094 -17.326 1.939 154.396 -126.257 -LYS 9 3.800 109.472 -89.698 2.541 153.477 -12.863 -ASP 10 3.800 129.936 136.905 1.709 118.569 -76.228 -GLY 11 3.800 114.861 -116.490 0.000 0.000 0.000 -GLY 12 3.800 104.955 145.778 0.000 0.000 0.000 -PRO 13 3.800 143.560 71.787 1.345 130.492 -151.958 -SER 14 3.800 139.440 131.478 1.150 145.937 -100.506 -SER 15 3.800 123.761 94.936 1.150 159.297 -67.285 -GLY 16 3.800 92.063 151.033 0.000 0.000 0.000 -ARG 17 3.800 102.498 113.760 3.020 140.932 20.809 -PRO 18 3.800 97.907 -88.881 1.345 125.180 -142.967 -PRO 19 3.800 132.073 104.420 1.345 112.503 -98.305 -PRO 20 3.800 89.129 -173.281 1.345 146.295 115.678 -SER 21 3.800 165.947 -48.918 1.150 95.519 -54.854 -D 22 3.800 125.510 -118.523 0.000 0.000 0.000 - -Geometry of the virtual chain. - Res d Theta Gamma Dsc Alpha Beta -D 1 0.000 0.000 0.000 0.000 0.000 0.000 -ASN 2 3.800 0.000 0.000 1.684 126.690 -115.850 -LEU 3 3.800 112.739 0.000 1.939 156.947 -166.134 -TYR 4 3.800 86.876 5.464 2.484 146.417 170.909 -ILE 5 3.800 125.628 -135.577 1.776 134.145 -88.754 -GLN 6 3.800 100.108 149.479 2.240 145.358 -79.977 -TRP 7 3.800 87.498 147.923 2.605 116.249 -14.444 -LEU 8 3.800 112.087 135.789 1.939 96.659 -40.176 -LYS 9 3.800 153.516 144.548 2.541 143.974 -84.934 -ASP 10 3.800 139.728 48.958 1.709 110.707 -95.154 -GLY 11 3.800 155.187 -2.428 0.000 0.000 0.000 -GLY 12 3.800 110.451 -113.348 0.000 0.000 0.000 -PRO 13 3.800 79.744 179.613 1.345 131.935 -161.484 -SER 14 3.800 141.908 -52.518 1.150 102.381 -82.111 -SER 15 3.800 92.947 -5.393 1.150 128.955 -80.086 -GLY 16 3.800 133.845 71.591 0.000 0.000 0.000 -ARG 17 3.800 101.650 13.171 3.020 133.712 -140.243 -PRO 18 3.800 98.580 -4.085 1.345 102.235 -128.282 -PRO 19 3.800 79.521 127.507 1.345 96.050 -109.045 -PRO 20 3.800 104.922 -141.852 1.345 123.051 -132.990 -SER 21 3.800 133.318 122.365 1.150 102.949 -70.868 -D 22 3.800 130.702 -84.762 0.000 0.000 0.000 - -Geometry of the virtual chain. - Res d Theta Gamma Dsc Alpha Beta -D 1 0.000 0.000 0.000 0.000 0.000 0.000 -ASN 2 3.800 0.000 0.000 1.684 151.374 -158.794 -LEU 3 3.800 90.727 0.000 1.939 127.760 -49.381 -TYR 4 3.800 136.582 2.892 2.484 110.805 -104.816 -ILE 5 3.800 143.249 -121.441 1.776 171.018 171.200 -GLN 6 3.800 103.373 168.886 2.240 144.703 -108.548 -TRP 7 3.800 137.961 73.832 2.605 102.902 -88.301 -LEU 8 3.800 111.867 23.471 1.939 147.064 -30.875 -LYS 9 3.800 125.261 77.875 2.541 148.758 -95.985 -ASP 10 3.800 121.853 -37.723 1.709 151.478 -5.711 -GLY 11 3.800 104.928 -156.445 0.000 0.000 0.000 -GLY 12 3.800 133.168 6.129 0.000 0.000 0.000 -PRO 13 3.800 117.180 130.726 1.345 121.359 -136.060 -SER 14 3.800 123.301 160.281 1.150 154.018 -15.339 -SER 15 3.800 103.992 131.873 1.150 164.647 -41.183 -GLY 16 3.800 82.771 165.006 0.000 0.000 0.000 -ARG 17 3.800 141.334 -51.646 3.020 152.825 155.254 -PRO 18 3.800 138.052 106.964 1.345 123.790 -130.289 -PRO 19 3.800 110.728 18.602 1.345 120.680 -137.163 -PRO 20 3.800 130.650 158.524 1.345 110.552 -74.723 -SER 21 3.800 45.955 23.533 1.150 109.265 -72.681 -D 22 3.800 133.390 97.020 0.000 0.000 0.000 - -Geometry of the virtual chain. - Res d Theta Gamma Dsc Alpha Beta -D 1 0.000 0.000 0.000 0.000 0.000 0.000 -ASN 2 3.800 0.000 0.000 1.684 159.802 -36.365 -LEU 3 3.800 126.565 0.000 1.939 156.015 -152.704 -TYR 4 3.800 93.599 -50.510 2.484 99.574 -101.401 -ILE 5 3.800 121.949 -169.908 1.776 172.446 -161.253 -GLN 6 3.800 113.583 62.226 2.240 134.687 -109.240 -TRP 7 3.800 95.241 -160.445 2.605 158.119 -170.130 -LEU 8 3.800 104.602 133.785 1.939 159.615 -96.308 -LYS 9 3.800 93.526 -98.246 2.541 153.344 165.572 -ASP 10 3.800 107.242 113.918 1.709 148.809 -8.692 -GLY 11 3.800 109.761 48.098 0.000 0.000 0.000 -GLY 12 3.800 127.899 -151.558 0.000 0.000 0.000 -PRO 13 3.800 96.863 -14.310 1.345 101.971 -114.427 -SER 14 3.800 100.623 -71.835 1.150 132.277 -57.629 -SER 15 3.800 129.505 -137.280 1.150 147.653 -24.539 -GLY 16 3.800 117.207 127.463 0.000 0.000 0.000 -ARG 17 3.800 97.083 172.671 3.020 154.108 -141.773 -PRO 18 3.800 123.886 160.325 1.345 108.133 -102.708 -PRO 19 3.800 107.398 -152.028 1.345 117.752 -124.282 -PRO 20 3.800 123.278 -79.832 1.345 115.739 -135.366 -SER 21 3.800 130.737 10.046 1.150 160.926 -110.199 -D 22 3.800 96.341 -40.538 0.000 0.000 0.000 - -Geometry of the virtual chain. - Res d Theta Gamma Dsc Alpha Beta -D 1 0.000 0.000 0.000 0.000 0.000 0.000 -ASN 2 3.800 0.000 0.000 1.684 164.390 28.072 -LEU 3 3.800 102.136 0.000 1.939 160.165 -121.081 -TYR 4 3.800 112.209 119.246 2.484 147.437 -149.061 -ILE 5 3.800 141.979 122.004 1.776 126.646 -65.409 -GLN 6 3.800 104.543 -163.135 2.240 136.065 -103.225 -TRP 7 3.800 113.925 -17.094 2.605 147.806 -8.294 -LEU 8 3.800 112.520 108.553 1.939 129.323 -66.082 -LYS 9 3.800 139.657 80.224 2.541 130.193 -82.887 -ASP 10 3.800 106.620 -33.658 1.709 140.101 -133.755 -GLY 11 3.800 92.295 -92.947 0.000 0.000 0.000 -GLY 12 3.800 135.334 141.883 0.000 0.000 0.000 -PRO 13 3.800 108.673 -165.321 1.345 122.000 -123.159 -SER 14 3.800 113.106 -167.519 1.150 156.953 -78.639 -SER 15 3.800 90.584 -121.748 1.150 103.098 -54.096 -GLY 16 3.800 135.053 127.448 0.000 0.000 0.000 -ARG 17 3.800 125.474 -2.254 3.020 153.400 -68.192 -PRO 18 3.800 109.740 -11.233 1.345 117.301 -120.321 -PRO 19 3.800 109.672 70.575 1.345 90.852 -112.994 -PRO 20 3.800 86.494 158.286 1.345 123.599 -132.231 -SER 21 3.800 132.684 -116.582 1.150 94.344 -72.133 -D 22 3.800 103.573 -154.350 0.000 0.000 0.000 - -Geometry of the virtual chain. - Res d Theta Gamma Dsc Alpha Beta -D 1 0.000 0.000 0.000 0.000 0.000 0.000 -ASN 2 3.800 0.000 0.000 1.684 147.293 -104.168 -LEU 3 3.800 94.050 0.000 1.939 150.276 -128.420 -TYR 4 3.800 88.521 130.810 2.484 145.761 -146.119 -ILE 5 3.800 116.816 -170.971 1.776 134.480 -73.069 -GLN 6 3.800 145.373 -17.386 2.240 179.995 -78.452 -TRP 7 3.800 127.323 32.881 2.605 138.613 3.720 -LEU 8 3.800 127.252 22.748 1.939 155.025 -7.068 -LYS 9 3.800 101.663 35.427 2.541 150.223 -85.983 -ASP 10 3.800 106.306 -44.348 1.709 135.048 -83.119 -GLY 11 3.800 102.502 148.193 0.000 0.000 0.000 -GLY 12 3.800 118.236 -26.587 0.000 0.000 0.000 -PRO 13 3.800 116.050 121.132 1.345 125.951 -147.018 -SER 14 3.800 131.389 -85.488 1.150 103.143 -70.284 -SER 15 3.800 111.431 -148.712 1.150 152.366 -93.100 -GLY 16 3.800 127.220 -162.040 0.000 0.000 0.000 -ARG 17 3.800 151.841 51.599 3.020 116.540 -134.156 -PRO 18 3.800 104.991 -116.305 1.345 131.476 -172.109 -PRO 19 3.800 152.305 92.712 1.345 126.118 -137.065 -PRO 20 3.800 129.253 -142.265 1.345 96.617 -107.200 -SER 21 3.800 74.639 78.953 1.150 45.951 -38.883 -D 22 3.800 171.000 -58.731 0.000 0.000 0.000 - -Geometry of the virtual chain. - Res d Theta Gamma Dsc Alpha Beta -D 1 0.000 0.000 0.000 0.000 0.000 0.000 -ASN 2 3.800 0.000 0.000 1.684 140.957 -141.298 -LEU 3 3.800 113.321 0.000 1.939 128.081 -62.678 -TYR 4 3.800 143.722 133.107 2.484 99.414 -77.949 -ILE 5 3.800 164.171 -14.821 1.776 141.187 -88.316 -GLN 6 3.800 159.696 -160.827 2.240 125.103 -146.340 -TRP 7 3.800 95.073 -55.071 2.605 101.573 -96.203 -LEU 8 3.800 119.667 -55.954 1.939 119.146 -60.194 -LYS 9 3.800 156.029 -125.041 2.541 154.924 -111.794 -ASP 10 3.800 117.396 -57.088 1.709 110.045 -97.153 -GLY 11 3.800 110.566 -49.651 0.000 0.000 0.000 -GLY 12 3.800 123.661 68.496 0.000 0.000 0.000 -PRO 13 3.800 80.273 61.630 1.345 117.407 -135.243 -SER 14 3.800 138.576 32.422 1.150 157.920 -70.067 -SER 15 3.800 101.249 166.353 1.150 108.619 -70.958 -GLY 16 3.800 105.877 -73.290 0.000 0.000 0.000 -ARG 17 3.800 124.820 -41.563 3.020 143.073 -20.525 -PRO 18 3.800 93.629 -66.981 1.345 115.165 -112.312 -PRO 19 3.800 111.234 175.211 1.345 112.849 -128.981 -PRO 20 3.800 131.433 -40.378 1.345 110.772 -108.617 -SER 21 3.800 107.238 -121.626 1.150 105.337 -70.845 -D 22 3.800 94.338 78.435 0.000 0.000 0.000 - -Geometry of the virtual chain. - Res d Theta Gamma Dsc Alpha Beta -D 1 0.000 0.000 0.000 0.000 0.000 0.000 -ASN 2 3.800 0.000 0.000 1.684 148.384 -128.270 -LEU 3 3.800 85.892 0.000 1.939 143.863 -116.816 -TYR 4 3.800 102.741 134.685 2.484 128.491 -37.715 -ILE 5 3.800 121.001 -131.782 1.776 169.441 -89.984 -GLN 6 3.800 127.724 122.920 2.240 161.786 -91.341 -TRP 7 3.800 118.619 -68.446 2.605 87.443 -61.361 -LEU 8 3.800 160.901 -95.804 1.939 139.115 -64.449 -LYS 9 3.800 138.473 19.573 2.541 130.535 -10.854 -ASP 10 3.800 132.655 -109.717 1.709 132.947 -123.768 -GLY 11 3.800 98.287 85.724 0.000 0.000 0.000 -GLY 12 3.800 106.708 71.766 0.000 0.000 0.000 -PRO 13 3.800 133.657 173.579 1.345 129.725 -162.291 -SER 14 3.800 147.100 19.720 1.150 152.767 -105.321 -SER 15 3.800 123.737 -76.519 1.150 140.104 -100.319 -GLY 16 3.800 97.557 -91.613 0.000 0.000 0.000 -ARG 17 3.800 115.171 -157.076 3.020 141.388 -80.570 -PRO 18 3.800 104.902 -156.040 1.345 111.438 -116.529 -PRO 19 3.800 124.730 -1.183 1.345 129.771 -136.280 -PRO 20 3.800 109.595 -37.491 1.345 101.136 -125.692 -SER 21 3.800 90.111 50.756 1.150 134.970 -91.507 -D 22 3.800 116.348 122.413 0.000 0.000 0.000 - -Geometry of the virtual chain. - Res d Theta Gamma Dsc Alpha Beta -D 1 0.000 0.000 0.000 0.000 0.000 0.000 -ASN 2 3.800 0.000 0.000 1.684 167.737 -15.355 -LEU 3 3.800 85.282 0.000 1.939 134.029 -103.550 -TYR 4 3.800 126.380 115.317 2.484 138.379 -166.225 -ILE 5 3.800 100.220 9.311 1.776 163.499 -116.655 -GLN 6 3.800 124.392 -157.771 2.240 134.248 -44.634 -TRP 7 3.800 116.774 164.523 2.605 165.913 151.069 -LEU 8 3.800 129.175 148.502 1.939 137.592 -88.581 -LYS 9 3.800 107.664 -73.734 2.541 164.086 -79.518 -ASP 10 3.800 132.950 -148.584 1.709 102.874 -74.781 -GLY 11 3.800 154.440 -163.369 0.000 0.000 0.000 -GLY 12 3.800 112.440 170.010 0.000 0.000 0.000 -PRO 13 3.800 132.348 -2.192 1.345 126.735 -130.466 -SER 14 3.800 113.465 -28.201 1.150 166.789 -48.159 -SER 15 3.800 96.212 134.987 1.150 90.249 -58.768 -GLY 16 3.800 160.307 -103.223 0.000 0.000 0.000 -ARG 17 3.800 122.212 95.111 3.020 138.259 -132.694 -PRO 18 3.800 146.631 -134.629 1.345 116.206 -120.973 -PRO 19 3.800 112.659 168.452 1.345 118.354 -141.382 -PRO 20 3.800 136.985 -41.088 1.345 116.005 -118.112 -SER 21 3.800 112.062 -133.916 1.150 106.535 -62.724 -D 22 3.800 113.303 -170.522 0.000 0.000 0.000 - -Geometry of the virtual chain. - Res d Theta Gamma Dsc Alpha Beta -D 1 0.000 0.000 0.000 0.000 0.000 0.000 -ASN 2 3.800 0.000 0.000 1.684 150.212 -46.953 -LEU 3 3.800 126.695 0.000 1.939 154.187 -87.036 -TYR 4 3.800 98.360 -143.755 2.484 128.236 -129.658 -ILE 5 3.800 129.678 10.059 1.776 140.592 -80.943 -GLN 6 3.800 100.632 143.982 2.240 163.730 -89.473 -TRP 7 3.800 121.614 -53.803 2.605 75.314 -54.960 -LEU 8 3.800 164.813 -170.989 1.939 139.467 -56.058 -LYS 9 3.800 128.913 156.135 2.541 145.115 -20.211 -ASP 10 3.800 122.355 -134.296 1.709 154.380 -81.341 -GLY 11 3.800 71.006 -42.011 0.000 0.000 0.000 -GLY 12 3.800 130.288 -136.900 0.000 0.000 0.000 -PRO 13 3.800 158.453 14.525 1.345 136.589 -148.109 -SER 14 3.800 127.028 88.452 1.150 130.337 -113.185 -SER 15 3.800 132.044 -18.129 1.150 167.089 -135.133 -GLY 16 3.800 93.128 49.356 0.000 0.000 0.000 -ARG 17 3.800 168.496 48.309 3.020 136.261 -31.085 -PRO 18 3.800 143.556 -156.520 1.345 127.716 -171.467 -PRO 19 3.800 154.841 -112.455 1.345 135.205 -167.658 -PRO 20 3.800 141.768 -101.752 1.345 116.951 -123.221 -SER 21 3.800 117.273 -6.410 1.150 163.830 20.760 -D 22 3.800 86.443 -112.909 0.000 0.000 0.000 - -Geometry of the virtual chain. - Res d Theta Gamma Dsc Alpha Beta -D 1 0.000 0.000 0.000 0.000 0.000 0.000 -ASN 2 3.800 0.000 0.000 1.684 157.298 -21.007 -LEU 3 3.800 95.005 0.000 1.939 140.342 -68.706 -TYR 4 3.800 113.625 53.915 2.484 126.862 -135.113 -ILE 5 3.800 131.670 -68.962 1.776 151.929 -97.630 -GLN 6 3.800 100.548 -142.322 2.240 146.102 -68.775 -TRP 7 3.800 111.172 93.165 2.605 120.543 -31.019 -LEU 8 3.800 130.888 -71.646 1.939 150.058 -159.770 -LYS 9 3.800 94.582 -97.229 2.541 138.883 133.328 -ASP 10 3.800 115.901 -25.025 1.709 138.425 -127.350 -GLY 11 3.800 81.107 -125.759 0.000 0.000 0.000 -GLY 12 3.800 119.026 -79.720 0.000 0.000 0.000 -PRO 13 3.800 105.455 -173.507 1.345 117.498 -114.578 -SER 14 3.800 121.523 4.132 1.150 91.071 -71.651 -SER 15 3.800 126.686 3.870 1.150 133.782 -89.107 -GLY 16 3.800 104.174 -87.415 0.000 0.000 0.000 -ARG 17 3.800 131.263 -6.705 3.020 118.038 -153.865 -PRO 18 3.800 155.321 -18.596 1.345 132.776 164.646 -PRO 19 3.800 157.645 -151.760 1.345 123.171 -135.536 -PRO 20 3.800 128.983 -62.706 1.345 97.959 -96.973 -SER 21 3.800 84.822 74.910 1.150 130.806 -108.986 -D 22 3.800 131.484 -62.188 0.000 0.000 0.000 - -Geometry of the virtual chain. - Res d Theta Gamma Dsc Alpha Beta -D 1 0.000 0.000 0.000 0.000 0.000 0.000 -ASN 2 3.800 0.000 0.000 1.684 129.985 -144.506 -LEU 3 3.800 91.599 0.000 1.939 157.537 -158.629 -TYR 4 3.800 90.249 -19.266 2.484 143.510 -1.065 -ILE 5 3.800 109.123 -163.154 1.776 160.326 -141.089 -GLN 6 3.800 131.636 -88.662 2.240 150.871 -96.531 -TRP 7 3.800 100.678 71.120 2.605 119.345 -13.561 -LEU 8 3.800 115.410 178.160 1.939 131.215 -74.683 -LYS 9 3.800 122.793 -98.282 2.541 144.028 157.507 -ASP 10 3.800 85.810 103.797 1.709 122.540 -82.647 -GLY 11 3.800 142.891 154.959 0.000 0.000 0.000 -GLY 12 3.800 129.405 5.683 0.000 0.000 0.000 -PRO 13 3.800 125.362 -15.285 1.345 122.228 -131.928 -SER 14 3.800 134.254 -6.117 1.150 93.530 -63.615 -SER 15 3.800 140.041 131.460 1.150 108.371 -68.307 -GLY 16 3.800 133.455 154.200 0.000 0.000 0.000 -ARG 17 3.800 146.307 -176.477 3.020 136.293 -34.408 -PRO 18 3.800 91.518 80.292 1.345 113.202 -120.473 -PRO 19 3.800 124.126 -71.617 1.345 122.350 -119.857 -PRO 20 3.800 108.431 -0.321 1.345 124.375 -131.724 -SER 21 3.800 120.230 171.290 1.150 126.243 -66.583 -D 22 3.800 107.831 -1.776 0.000 0.000 0.000 - -Geometry of the virtual chain. - Res d Theta Gamma Dsc Alpha Beta -D 1 0.000 0.000 0.000 0.000 0.000 0.000 -ASN 2 3.800 0.000 0.000 1.684 107.527 -83.490 -LEU 3 3.800 104.226 0.000 1.939 143.590 -71.517 -TYR 4 3.800 131.554 34.216 2.484 100.651 -90.162 -ILE 5 3.800 119.190 -81.984 1.776 147.527 -55.700 -GLN 6 3.800 166.199 -22.645 2.240 132.759 4.061 -TRP 7 3.800 123.434 -95.842 2.605 141.875 -26.026 -LEU 8 3.800 101.788 19.688 1.939 151.898 -103.540 -LYS 9 3.800 112.422 -82.768 2.541 163.878 97.511 -ASP 10 3.800 87.684 -30.578 1.709 156.382 -31.394 -GLY 11 3.800 91.438 -129.975 0.000 0.000 0.000 -GLY 12 3.800 121.127 37.944 0.000 0.000 0.000 -PRO 13 3.800 109.133 -119.955 1.345 100.342 -122.309 -SER 14 3.800 93.253 -155.053 1.150 159.672 -70.759 -SER 15 3.800 89.299 127.629 1.150 96.872 -65.903 -GLY 16 3.800 113.462 -138.739 0.000 0.000 0.000 -ARG 17 3.800 125.956 -164.658 3.020 148.893 126.514 -PRO 18 3.800 117.150 -179.378 1.345 130.791 -149.821 -PRO 19 3.800 136.366 -116.738 1.345 114.090 -116.495 -PRO 20 3.800 116.271 -109.499 1.345 116.180 -121.829 -SER 21 3.800 112.622 -148.333 1.150 115.593 -65.965 -D 22 3.800 93.144 39.812 0.000 0.000 0.000 - -Geometry of the virtual chain. - Res d Theta Gamma Dsc Alpha Beta -D 1 0.000 0.000 0.000 0.000 0.000 0.000 -ASN 2 3.800 0.000 0.000 1.684 141.642 -18.153 -LEU 3 3.800 95.162 0.000 1.939 165.467 -125.645 -TYR 4 3.800 76.765 -27.003 2.484 142.834 -172.589 -ILE 5 3.800 117.040 61.924 1.776 134.431 -80.225 -GLN 6 3.800 125.831 -97.472 2.240 153.023 -153.581 -TRP 7 3.800 145.454 -87.437 2.605 132.254 -171.197 -LEU 8 3.800 114.887 -19.292 1.939 166.441 -5.957 -LYS 9 3.800 94.009 -91.275 2.541 141.242 175.358 -ASP 10 3.800 74.555 -119.090 1.709 141.488 -147.513 -GLY 11 3.800 96.148 163.290 0.000 0.000 0.000 -GLY 12 3.800 155.309 168.211 0.000 0.000 0.000 -PRO 13 3.800 113.856 5.199 1.345 98.533 -111.948 -SER 14 3.800 102.888 -163.312 1.150 168.702 -107.415 -SER 15 3.800 87.955 143.600 1.150 115.506 -45.373 -GLY 16 3.800 111.112 -87.524 0.000 0.000 0.000 -ARG 17 3.800 118.505 -152.829 3.020 119.846 -55.430 -PRO 18 3.800 162.436 -175.863 1.345 118.493 -119.455 -PRO 19 3.800 110.621 83.016 1.345 149.952 91.036 -PRO 20 3.800 167.692 167.813 1.345 127.444 -134.586 -SER 21 3.800 117.850 -133.541 1.150 110.134 -79.229 -D 22 3.800 95.756 -156.852 0.000 0.000 0.000 - -Geometry of the virtual chain. - Res d Theta Gamma Dsc Alpha Beta -D 1 0.000 0.000 0.000 0.000 0.000 0.000 -ASN 2 3.800 0.000 0.000 1.684 152.643 -20.379 -LEU 3 3.800 121.409 0.000 1.939 146.424 -123.799 -TYR 4 3.800 93.038 -128.437 2.484 145.342 177.710 -ILE 5 3.800 116.022 95.187 1.776 166.708 -51.198 -GLN 6 3.800 116.253 25.089 2.240 131.737 -127.313 -TRP 7 3.800 128.576 97.935 2.605 156.367 12.270 -LEU 8 3.800 140.846 -178.970 1.939 151.345 -9.086 -LYS 9 3.800 76.934 42.967 2.541 156.195 -56.875 -ASP 10 3.800 108.055 93.188 1.709 129.133 -88.411 -GLY 11 3.800 121.245 88.830 0.000 0.000 0.000 -GLY 12 3.800 136.468 51.354 0.000 0.000 0.000 -PRO 13 3.800 116.202 7.042 1.345 126.784 -162.570 -SER 14 3.800 147.520 -51.201 1.150 94.752 -52.960 -SER 15 3.800 146.108 11.022 1.150 139.839 -105.530 -GLY 16 3.800 113.156 -146.478 0.000 0.000 0.000 -ARG 17 3.800 138.672 63.220 3.020 139.133 -177.785 -PRO 18 3.800 103.701 -126.836 1.345 139.912 174.129 -PRO 19 3.800 153.097 -136.340 1.345 87.645 -93.923 -PRO 20 3.800 85.037 11.764 1.345 125.182 -147.489 -SER 21 3.800 136.087 127.355 1.150 144.638 -88.697 -D 22 3.800 96.733 67.624 0.000 0.000 0.000 - -Geometry of the virtual chain. - Res d Theta Gamma Dsc Alpha Beta -D 1 0.000 0.000 0.000 0.000 0.000 0.000 -ASN 2 3.800 0.000 0.000 1.684 133.132 -136.939 -LEU 3 3.800 90.525 0.000 1.939 142.341 -128.861 -TYR 4 3.800 135.416 116.424 2.484 112.547 -91.190 -ILE 5 3.800 129.785 19.697 1.776 156.685 -120.752 -GLN 6 3.800 105.595 -16.272 2.240 160.247 -103.126 -TRP 7 3.800 133.747 -45.754 2.605 60.971 -37.487 -LEU 8 3.800 168.695 122.500 1.939 155.155 -154.075 -LYS 9 3.800 87.386 128.309 2.541 129.478 -168.050 -ASP 10 3.800 134.403 -51.905 1.709 149.386 -95.509 -GLY 11 3.800 104.975 -167.964 0.000 0.000 0.000 -GLY 12 3.800 117.659 154.058 0.000 0.000 0.000 -PRO 13 3.800 143.076 62.580 1.345 118.877 -114.393 -SER 14 3.800 107.764 -148.277 1.150 128.612 -76.950 -SER 15 3.800 96.458 -84.763 1.150 158.455 -52.395 -GLY 16 3.800 100.135 141.729 0.000 0.000 0.000 -ARG 17 3.800 96.961 12.551 3.020 135.423 -33.934 -PRO 18 3.800 124.596 126.299 1.345 97.747 -85.802 -PRO 19 3.800 83.049 124.852 1.345 126.177 -133.071 -PRO 20 3.800 117.145 -167.185 1.345 133.862 -178.625 -SER 21 3.800 144.555 -148.209 1.150 137.737 -123.785 -D 22 3.800 136.125 89.785 0.000 0.000 0.000 - -Geometry of the virtual chain. - Res d Theta Gamma Dsc Alpha Beta -D 1 0.000 0.000 0.000 0.000 0.000 0.000 -ASN 2 3.800 0.000 0.000 1.684 140.158 -170.360 -LEU 3 3.800 98.149 0.000 1.939 157.731 -112.753 -TYR 4 3.800 92.922 160.495 2.484 114.494 -87.557 -ILE 5 3.800 143.512 162.005 1.776 162.036 -22.195 -GLN 6 3.800 114.359 -135.590 2.240 157.353 -176.470 -TRP 7 3.800 129.661 -6.648 2.605 159.039 179.121 -LEU 8 3.800 112.413 118.764 1.939 141.726 -126.217 -LYS 9 3.800 105.651 54.496 2.541 177.822 -85.496 -ASP 10 3.800 136.236 28.194 1.709 147.543 -104.984 -GLY 11 3.800 81.379 122.770 0.000 0.000 0.000 -GLY 12 3.800 135.665 -75.221 0.000 0.000 0.000 -PRO 13 3.800 134.449 -169.615 1.345 102.134 -93.042 -SER 14 3.800 95.734 -99.289 1.150 92.540 -67.680 -SER 15 3.800 121.054 55.221 1.150 93.572 -71.020 -GLY 16 3.800 136.685 35.185 0.000 0.000 0.000 -ARG 17 3.800 129.741 -111.869 3.020 140.940 -87.959 -PRO 18 3.800 127.677 -113.558 1.345 126.515 -158.874 -PRO 19 3.800 148.221 99.382 1.345 129.827 -139.162 -PRO 20 3.800 127.942 4.143 1.345 129.342 -158.411 -SER 21 3.800 141.946 55.611 1.150 98.843 -68.092 -D 22 3.800 116.410 15.823 0.000 0.000 0.000 - -Geometry of the virtual chain. - Res d Theta Gamma Dsc Alpha Beta -D 1 0.000 0.000 0.000 0.000 0.000 0.000 -ASN 2 3.800 0.000 0.000 1.684 163.092 -10.745 -LEU 3 3.800 87.184 0.000 1.939 134.286 -101.306 -TYR 4 3.800 120.575 -54.555 2.484 121.431 -165.665 -ILE 5 3.800 88.655 30.486 1.776 161.067 -103.959 -GLN 6 3.800 114.042 93.517 2.240 124.572 -52.773 -TRP 7 3.800 113.939 -125.195 2.605 90.011 -66.291 -LEU 8 3.800 145.449 168.131 1.939 132.835 -30.630 -LYS 9 3.800 132.581 26.178 2.541 146.366 -59.350 -ASP 10 3.800 131.481 -133.070 1.709 138.924 -2.791 -GLY 11 3.800 94.725 -75.200 0.000 0.000 0.000 -GLY 12 3.800 147.329 85.595 0.000 0.000 0.000 -PRO 13 3.800 120.071 -111.086 1.345 133.280 -125.746 -SER 14 3.800 93.621 35.467 1.150 151.089 -33.224 -SER 15 3.800 104.615 -116.247 1.150 93.465 -68.623 -GLY 16 3.800 136.913 69.203 0.000 0.000 0.000 -ARG 17 3.800 110.253 -147.127 3.020 127.182 111.241 -PRO 18 3.800 121.128 80.712 1.345 87.641 -95.434 -PRO 19 3.800 90.995 137.988 1.345 127.284 -128.859 -PRO 20 3.800 102.589 178.524 1.345 87.613 -120.895 -SER 21 3.800 104.526 -168.096 1.150 95.097 -60.172 -D 22 3.800 127.898 114.237 0.000 0.000 0.000 - -Geometry of the virtual chain. - Res d Theta Gamma Dsc Alpha Beta -D 1 0.000 0.000 0.000 0.000 0.000 0.000 -ASN 2 3.800 0.000 0.000 1.684 142.817 -106.614 -LEU 3 3.800 135.786 0.000 1.939 156.635 -119.166 -TYR 4 3.800 128.993 22.742 2.484 141.583 -156.288 -ILE 5 3.800 128.332 1.093 1.776 161.691 -114.809 -GLN 6 3.800 98.111 147.622 2.240 159.007 -161.217 -TRP 7 3.800 73.609 121.184 2.605 142.242 -177.676 -LEU 8 3.800 119.086 17.050 1.939 158.040 -92.992 -LYS 9 3.800 89.346 -84.149 2.541 164.161 -55.104 -ASP 10 3.800 77.491 -49.179 1.709 140.192 -23.249 -GLY 11 3.800 123.141 -155.909 0.000 0.000 0.000 -GLY 12 3.800 138.832 45.073 0.000 0.000 0.000 -PRO 13 3.800 131.636 167.372 1.345 127.215 -163.057 -SER 14 3.800 144.187 163.665 1.150 113.832 -69.130 -SER 15 3.800 98.478 -43.790 1.150 100.850 -66.677 -GLY 16 3.800 123.876 -96.680 0.000 0.000 0.000 -ARG 17 3.800 104.362 -36.900 3.020 111.779 -4.695 -PRO 18 3.800 132.744 -40.561 1.345 99.250 -94.452 -PRO 19 3.800 89.281 -15.585 1.345 90.353 -95.286 -PRO 20 3.800 64.395 67.387 1.345 112.844 -116.571 -SER 21 3.800 119.286 -85.546 1.150 92.009 -64.307 -D 22 3.800 135.585 -97.362 0.000 0.000 0.000 - -Geometry of the virtual chain. - Res d Theta Gamma Dsc Alpha Beta -D 1 0.000 0.000 0.000 0.000 0.000 0.000 -ASN 2 3.800 0.000 0.000 1.684 151.338 -146.419 -LEU 3 3.800 109.769 0.000 1.939 146.957 -43.434 -TYR 4 3.800 102.079 -143.274 2.484 151.660 -133.127 -ILE 5 3.800 118.851 -137.217 1.776 168.651 -146.157 -GLN 6 3.800 113.442 -81.728 2.240 151.760 -133.375 -TRP 7 3.800 109.455 68.285 2.605 144.196 -136.928 -LEU 8 3.800 96.583 90.506 1.939 154.042 -123.749 -LYS 9 3.800 85.236 52.070 2.541 141.254 -119.736 -ASP 10 3.800 97.481 -60.095 1.709 134.708 -139.808 -GLY 11 3.800 88.704 139.642 0.000 0.000 0.000 -GLY 12 3.800 132.486 -50.337 0.000 0.000 0.000 -PRO 13 3.800 119.202 115.151 1.345 93.785 -76.465 -SER 14 3.800 71.957 141.801 1.150 145.536 -78.408 -SER 15 3.800 104.296 109.778 1.150 161.992 -62.714 -GLY 16 3.800 97.703 21.603 0.000 0.000 0.000 -ARG 17 3.800 157.250 41.309 3.020 127.564 -142.635 -PRO 18 3.800 156.266 92.444 1.345 111.799 -108.718 -PRO 19 3.800 100.331 -51.305 1.345 118.229 -127.629 -PRO 20 3.800 120.199 -55.723 1.345 124.106 -139.915 -SER 21 3.800 128.036 134.794 1.150 90.670 -51.386 -D 22 3.800 152.041 85.091 0.000 0.000 0.000 - -Geometry of the virtual chain. - Res d Theta Gamma Dsc Alpha Beta -D 1 0.000 0.000 0.000 0.000 0.000 0.000 -ASN 2 3.800 0.000 0.000 1.684 144.679 -121.645 -LEU 3 3.800 91.869 0.000 1.939 131.496 -87.279 -TYR 4 3.800 89.439 96.149 2.484 92.788 -60.682 -ILE 5 3.800 167.830 102.529 1.776 152.534 -100.007 -GLN 6 3.800 150.964 61.425 2.240 150.312 -56.147 -TRP 7 3.800 108.854 -130.054 2.605 91.899 -57.273 -LEU 8 3.800 130.331 106.476 1.939 130.989 -43.939 -LYS 9 3.800 127.916 44.535 2.541 138.571 -97.602 -ASP 10 3.800 110.252 -28.699 1.709 135.240 -153.741 -GLY 11 3.800 89.195 153.500 0.000 0.000 0.000 -GLY 12 3.800 129.990 1.989 0.000 0.000 0.000 -PRO 13 3.800 119.388 -176.135 1.345 127.178 -163.810 -SER 14 3.800 149.925 71.764 1.150 133.910 -82.059 -SER 15 3.800 113.078 66.384 1.150 136.644 -33.165 -GLY 16 3.800 124.311 4.323 0.000 0.000 0.000 -ARG 17 3.800 146.275 -14.832 3.020 135.973 143.659 -PRO 18 3.800 84.804 -48.091 1.345 125.420 -127.320 -PRO 19 3.800 113.924 128.291 1.345 111.035 -117.441 -PRO 20 3.800 124.145 136.649 1.345 127.921 -139.526 -SER 21 3.800 132.881 98.205 1.150 106.018 -59.548 -D 22 3.800 107.884 -31.774 0.000 0.000 0.000 - -Geometry of the virtual chain. - Res d Theta Gamma Dsc Alpha Beta -D 1 0.000 0.000 0.000 0.000 0.000 0.000 -ASN 2 3.800 0.000 0.000 1.684 130.128 -113.848 -LEU 3 3.800 113.035 0.000 1.939 151.088 -37.699 -TYR 4 3.800 111.376 -71.488 2.484 139.278 -152.570 -ILE 5 3.800 113.943 137.701 1.776 137.715 -92.121 -GLN 6 3.800 136.832 -24.028 2.240 129.711 169.034 -TRP 7 3.800 127.672 52.010 2.605 122.928 -27.823 -LEU 8 3.800 124.938 -37.309 1.939 145.998 -32.244 -LYS 9 3.800 112.845 -126.111 2.541 154.078 -35.307 -ASP 10 3.800 80.063 -69.981 1.709 72.735 -75.825 -GLY 11 3.800 171.000 28.511 0.000 0.000 0.000 -GLY 12 3.800 91.029 72.766 0.000 0.000 0.000 -PRO 13 3.800 119.195 164.560 1.345 145.172 157.186 -SER 14 3.800 156.812 -174.560 1.150 112.639 -64.264 -SER 15 3.800 96.862 -59.430 1.150 145.642 -140.176 -GLY 16 3.800 125.652 -176.758 0.000 0.000 0.000 -ARG 17 3.800 111.503 4.815 3.020 141.797 -149.739 -PRO 18 3.800 103.854 -173.856 1.345 127.075 -145.553 -PRO 19 3.800 133.976 -126.915 1.345 126.520 -144.453 -PRO 20 3.800 134.733 84.176 1.345 96.655 -100.296 -SER 21 3.800 89.462 -151.194 1.150 107.894 -65.979 -D 22 3.800 95.056 -98.955 0.000 0.000 0.000 - -Geometry of the virtual chain. - Res d Theta Gamma Dsc Alpha Beta -D 1 0.000 0.000 0.000 0.000 0.000 0.000 -ASN 2 3.800 0.000 0.000 1.684 143.808 -128.405 -LEU 3 3.800 126.003 0.000 1.939 145.460 -13.341 -TYR 4 3.800 106.980 -117.583 2.484 160.196 166.294 -ILE 5 3.800 101.051 155.131 1.776 171.412 -136.728 -GLN 6 3.800 106.649 20.305 2.240 158.058 -172.197 -TRP 7 3.800 112.884 -70.013 2.605 154.803 -171.931 -LEU 8 3.800 125.450 135.340 1.939 153.149 -141.334 -LYS 9 3.800 94.420 21.734 2.541 138.115 133.012 -ASP 10 3.800 127.038 -51.459 1.709 179.504 10.628 -GLY 11 3.800 94.050 142.720 0.000 0.000 0.000 -GLY 12 3.800 137.958 -90.450 0.000 0.000 0.000 -PRO 13 3.800 122.802 111.597 1.345 106.104 -107.549 -SER 14 3.800 92.381 -80.041 1.150 157.222 -46.626 -SER 15 3.800 96.097 -147.797 1.150 132.322 -75.957 -GLY 16 3.800 140.420 -20.410 0.000 0.000 0.000 -ARG 17 3.800 121.279 -27.126 3.020 125.072 -169.197 -PRO 18 3.800 149.280 -95.166 1.345 101.099 -113.964 -PRO 19 3.800 101.011 -83.988 1.345 107.595 -117.843 -PRO 20 3.800 130.946 84.250 1.345 132.597 -155.568 -SER 21 3.800 136.954 90.011 1.150 136.389 -23.036 -D 22 3.800 118.624 -168.895 0.000 0.000 0.000 - -Geometry of the virtual chain. - Res d Theta Gamma Dsc Alpha Beta -D 1 0.000 0.000 0.000 0.000 0.000 0.000 -ASN 2 3.800 0.000 0.000 1.684 155.436 -150.240 -LEU 3 3.800 92.802 0.000 1.939 139.920 -75.142 -TYR 4 3.800 126.825 -26.642 2.484 143.136 -143.527 -ILE 5 3.800 134.123 129.948 1.776 158.576 -39.451 -GLN 6 3.800 102.532 63.572 2.240 165.946 -115.439 -TRP 7 3.800 92.870 12.135 2.605 142.570 -144.842 -LEU 8 3.800 121.924 -138.519 1.939 146.929 -39.371 -LYS 9 3.800 124.177 5.828 2.541 157.533 -138.875 -ASP 10 3.800 125.403 -5.863 1.709 125.625 -79.675 -GLY 11 3.800 93.147 -70.673 0.000 0.000 0.000 -GLY 12 3.800 142.361 13.699 0.000 0.000 0.000 -PRO 13 3.800 135.173 -1.769 1.345 102.223 -88.834 -SER 14 3.800 84.746 95.263 1.150 149.984 -74.700 -SER 15 3.800 107.733 4.768 1.150 150.502 -0.666 -GLY 16 3.800 112.964 94.067 0.000 0.000 0.000 -ARG 17 3.800 97.415 35.419 3.020 115.866 -48.685 -PRO 18 3.800 137.932 22.130 1.345 122.891 -125.972 -PRO 19 3.800 108.138 159.836 1.345 112.838 -127.501 -PRO 20 3.800 97.991 -135.686 1.345 119.061 -127.636 -SER 21 3.800 126.821 16.532 1.150 106.538 -67.272 -D 22 3.800 93.079 -139.286 0.000 0.000 0.000 - -Geometry of the virtual chain. - Res d Theta Gamma Dsc Alpha Beta -D 1 0.000 0.000 0.000 0.000 0.000 0.000 -ASN 2 3.800 0.000 0.000 1.684 136.283 -151.194 -LEU 3 3.800 89.089 0.000 1.939 150.172 -19.737 -TYR 4 3.800 117.256 -72.903 2.484 141.866 -153.481 -ILE 5 3.800 127.306 56.683 1.776 134.859 -93.874 -GLN 6 3.800 99.710 101.388 2.240 147.876 121.146 -TRP 7 3.800 128.723 -172.465 2.605 66.147 -41.821 -LEU 8 3.800 164.499 -109.481 1.939 154.467 -20.760 -LYS 9 3.800 93.427 -159.895 2.541 169.905 -140.998 -ASP 10 3.800 143.257 49.143 1.709 147.840 -25.671 -GLY 11 3.800 105.437 177.838 0.000 0.000 0.000 -GLY 12 3.800 126.526 124.977 0.000 0.000 0.000 -PRO 13 3.800 139.376 -107.134 1.345 122.004 -146.989 -SER 14 3.800 148.161 -25.002 1.150 133.689 -66.745 -SER 15 3.800 114.018 -134.537 1.150 129.609 -39.989 -GLY 16 3.800 92.295 102.000 0.000 0.000 0.000 -ARG 17 3.800 120.558 20.175 3.020 160.750 89.014 -PRO 18 3.800 96.345 51.632 1.345 115.323 -119.545 -PRO 19 3.800 113.250 146.922 1.345 127.539 173.282 -PRO 20 3.800 156.665 -20.287 1.345 128.441 -136.978 -SER 21 3.800 129.079 -44.697 1.150 108.254 -62.054 -D 22 3.800 67.170 -123.655 0.000 0.000 0.000 - -Geometry of the virtual chain. - Res d Theta Gamma Dsc Alpha Beta -D 1 0.000 0.000 0.000 0.000 0.000 0.000 -ASN 2 3.800 0.000 0.000 1.684 141.257 -14.952 -LEU 3 3.800 103.875 0.000 1.939 154.538 -110.796 -TYR 4 3.800 113.088 52.531 2.484 139.469 -129.144 -ILE 5 3.800 139.747 38.440 1.776 172.045 -111.567 -GLN 6 3.800 110.066 -178.589 2.240 154.693 -122.080 -TRP 7 3.800 110.489 -113.173 2.605 137.305 -10.501 -LEU 8 3.800 120.184 23.196 1.939 141.253 -91.676 -LYS 9 3.800 140.284 -138.077 2.541 134.687 -132.374 -ASP 10 3.800 89.486 39.348 1.709 124.946 -100.287 -GLY 11 3.800 107.136 119.495 0.000 0.000 0.000 -GLY 12 3.800 116.818 -81.580 0.000 0.000 0.000 -PRO 13 3.800 147.059 168.214 1.345 113.146 -128.251 -SER 14 3.800 123.664 -76.402 1.150 167.074 -115.332 -SER 15 3.800 92.871 115.711 1.150 161.215 -102.269 -GLY 16 3.800 105.342 91.740 0.000 0.000 0.000 -ARG 17 3.800 157.420 -168.476 3.020 142.997 -83.386 -PRO 18 3.800 123.278 173.742 1.345 137.669 -160.963 -PRO 19 3.800 137.611 1.421 1.345 130.122 -132.159 -PRO 20 3.800 117.709 69.314 1.345 108.145 -125.445 -SER 21 3.800 98.873 26.009 1.150 147.202 -143.234 -D 22 3.800 98.447 70.047 0.000 0.000 0.000 - -Geometry of the virtual chain. - Res d Theta Gamma Dsc Alpha Beta -D 1 0.000 0.000 0.000 0.000 0.000 0.000 -ASN 2 3.800 0.000 0.000 1.684 149.450 -7.147 -LEU 3 3.800 133.607 0.000 1.939 161.669 -174.917 -TYR 4 3.800 89.074 -163.043 2.484 135.722 -148.554 -ILE 5 3.800 105.664 -88.270 1.776 152.640 -95.399 -GLN 6 3.800 93.340 84.882 2.240 148.338 172.681 -TRP 7 3.800 105.313 80.057 2.605 156.704 23.865 -LEU 8 3.800 125.963 113.387 1.939 161.204 -48.412 -LYS 9 3.800 120.656 -152.183 2.541 147.162 -82.243 -ASP 10 3.800 116.057 -51.174 1.709 143.077 -125.953 -GLY 11 3.800 95.743 -144.420 0.000 0.000 0.000 -GLY 12 3.800 103.641 107.723 0.000 0.000 0.000 -PRO 13 3.800 97.016 -106.193 1.345 117.611 -123.626 -SER 14 3.800 119.247 -18.254 1.150 156.834 -79.916 -SER 15 3.800 138.067 131.452 1.150 146.366 -131.407 -GLY 16 3.800 137.215 101.174 0.000 0.000 0.000 -ARG 17 3.800 152.882 86.575 3.020 155.017 -5.407 -PRO 18 3.800 112.419 15.845 1.345 129.776 -135.605 -PRO 19 3.800 111.840 -126.269 1.345 115.252 -124.934 -PRO 20 3.800 126.673 63.264 1.345 123.260 -139.124 -SER 21 3.800 129.448 -116.186 1.150 120.079 -151.167 -D 22 3.800 120.537 -177.666 0.000 0.000 0.000 - -Geometry of the virtual chain. - Res d Theta Gamma Dsc Alpha Beta -D 1 0.000 0.000 0.000 0.000 0.000 0.000 -ASN 2 3.800 0.000 0.000 1.684 149.909 -161.301 -LEU 3 3.800 88.645 0.000 1.939 155.936 -114.110 -TYR 4 3.800 89.661 -89.982 2.484 135.041 3.003 -ILE 5 3.800 95.167 -79.672 1.776 172.407 -115.983 -GLN 6 3.800 129.205 157.381 2.240 148.008 -157.104 -TRP 7 3.800 102.907 22.544 2.605 139.884 -120.784 -LEU 8 3.800 121.629 -113.727 1.939 134.157 -97.326 -LYS 9 3.800 124.512 62.930 2.541 149.904 -144.007 -ASP 10 3.800 91.425 -132.333 1.709 146.231 -153.287 -GLY 11 3.800 85.127 41.887 0.000 0.000 0.000 -GLY 12 3.800 150.727 31.826 0.000 0.000 0.000 -PRO 13 3.800 125.496 -146.283 1.345 97.573 -132.366 -SER 14 3.800 101.953 131.890 1.150 98.638 -74.633 -SER 15 3.800 126.811 -143.204 1.150 135.415 -8.361 -GLY 16 3.800 93.701 5.517 0.000 0.000 0.000 -ARG 17 3.800 132.433 -142.817 3.020 136.264 -88.137 -PRO 18 3.800 155.847 107.241 1.345 120.959 -126.080 -PRO 19 3.800 126.786 48.916 1.345 126.418 -144.262 -PRO 20 3.800 135.237 -137.681 1.345 114.838 -122.818 -SER 21 3.800 118.068 77.841 1.150 153.680 -92.237 -D 22 3.800 95.188 -94.161 0.000 0.000 0.000 - -Geometry of the virtual chain. - Res d Theta Gamma Dsc Alpha Beta -D 1 0.000 0.000 0.000 0.000 0.000 0.000 -ASN 2 3.800 0.000 0.000 1.684 161.089 10.699 -LEU 3 3.800 89.480 0.000 1.939 152.367 -127.343 -TYR 4 3.800 107.250 153.979 2.484 146.329 -175.070 -ILE 5 3.800 100.652 -148.703 1.776 168.258 -158.708 -GLN 6 3.800 135.982 -21.101 2.240 157.018 33.734 -TRP 7 3.800 154.108 6.658 2.605 92.426 -93.803 -LEU 8 3.800 127.122 138.568 1.939 104.634 -34.411 -LYS 9 3.800 151.985 56.033 2.541 140.425 -111.505 -ASP 10 3.800 131.157 2.709 1.709 135.374 -155.035 -GLY 11 3.800 92.689 41.096 0.000 0.000 0.000 -GLY 12 3.800 130.012 131.139 0.000 0.000 0.000 -PRO 13 3.800 113.833 -116.988 1.345 120.735 -131.856 -SER 14 3.800 128.760 167.843 1.150 101.481 -64.658 -SER 15 3.800 120.702 83.384 1.150 134.237 -81.430 -GLY 16 3.800 120.797 135.808 0.000 0.000 0.000 -ARG 17 3.800 123.119 61.211 3.020 137.443 -144.600 -PRO 18 3.800 149.806 -134.587 1.345 100.113 -124.003 -PRO 19 3.800 88.560 75.801 1.345 133.602 175.544 -PRO 20 3.800 152.997 89.260 1.345 116.118 -120.386 -SER 21 3.800 119.742 65.817 1.150 138.281 10.828 -D 22 3.800 98.563 -157.978 0.000 0.000 0.000 - -Geometry of the virtual chain. - Res d Theta Gamma Dsc Alpha Beta -D 1 0.000 0.000 0.000 0.000 0.000 0.000 -ASN 2 3.800 0.000 0.000 1.684 159.844 -36.047 -LEU 3 3.800 97.136 0.000 1.939 149.174 -132.336 -TYR 4 3.800 97.511 102.367 2.484 117.024 -42.079 -ILE 5 3.800 92.820 37.955 1.776 174.676 -127.942 -GLN 6 3.800 130.790 -66.604 2.240 152.844 -109.341 -TRP 7 3.800 144.521 3.562 2.605 157.203 170.939 -LEU 8 3.800 82.928 -61.407 1.939 135.256 -80.138 -LYS 9 3.800 131.776 -92.016 2.541 137.983 -76.419 -ASP 10 3.800 92.448 56.186 1.709 152.240 -36.823 -GLY 11 3.800 121.827 115.568 0.000 0.000 0.000 -GLY 12 3.800 108.797 147.292 0.000 0.000 0.000 -PRO 13 3.800 148.721 -41.062 1.345 161.679 32.899 -SER 14 3.800 171.000 -119.512 1.150 130.917 -49.142 -SER 15 3.800 117.459 172.332 1.150 150.849 -92.815 -GLY 16 3.800 107.592 178.088 0.000 0.000 0.000 -ARG 17 3.800 113.219 78.063 3.020 115.910 35.234 -PRO 18 3.800 149.227 32.513 1.345 129.920 -141.739 -PRO 19 3.800 117.785 -53.664 1.345 127.475 -134.656 -PRO 20 3.800 111.629 -24.018 1.345 105.224 -73.184 -SER 21 3.800 52.684 -99.464 1.150 97.185 -64.312 -D 22 3.800 140.464 -132.726 0.000 0.000 0.000 - -Geometry of the virtual chain. - Res d Theta Gamma Dsc Alpha Beta -D 1 0.000 0.000 0.000 0.000 0.000 0.000 -ASN 2 3.800 0.000 0.000 1.684 143.851 -82.378 -LEU 3 3.800 142.714 0.000 1.939 119.837 -47.407 -TYR 4 3.800 162.915 29.568 2.484 109.833 -103.797 -ILE 5 3.800 131.386 -54.709 1.776 173.339 171.873 -GLN 6 3.800 130.508 -47.716 2.240 146.252 -29.133 -TRP 7 3.800 94.609 51.755 2.605 144.044 110.285 -LEU 8 3.800 106.166 139.258 1.939 169.763 -13.138 -LYS 9 3.800 88.493 -50.553 2.541 151.475 -43.015 -ASP 10 3.800 109.745 158.057 1.709 118.141 -89.381 -GLY 11 3.800 116.320 -51.390 0.000 0.000 0.000 -GLY 12 3.800 97.110 -44.937 0.000 0.000 0.000 -PRO 13 3.800 114.038 137.096 1.345 88.860 -91.894 -SER 14 3.800 95.970 119.159 1.150 123.907 -72.979 -SER 15 3.800 122.443 -141.149 1.150 152.710 -55.283 -GLY 16 3.800 91.620 50.631 0.000 0.000 0.000 -ARG 17 3.800 140.890 146.699 3.020 149.150 -139.648 -PRO 18 3.800 144.232 -177.742 1.345 119.292 -119.631 -PRO 19 3.800 120.204 149.593 1.345 107.578 -139.241 -PRO 20 3.800 101.062 -52.196 1.345 115.758 -142.126 -SER 21 3.800 146.848 132.179 1.150 117.216 -69.386 -D 22 3.800 93.215 14.781 0.000 0.000 0.000 - -Geometry of the virtual chain. - Res d Theta Gamma Dsc Alpha Beta -D 1 0.000 0.000 0.000 0.000 0.000 0.000 -ASN 2 3.800 0.000 0.000 1.684 112.991 -75.733 -LEU 3 3.800 122.846 0.000 1.939 152.325 -122.633 -TYR 4 3.800 90.651 -20.814 2.484 153.807 -168.682 -ILE 5 3.800 92.657 -31.151 1.776 145.232 -79.084 -GLN 6 3.800 167.007 -121.438 2.240 170.847 -53.295 -TRP 7 3.800 110.243 -7.234 2.605 136.474 -164.430 -LEU 8 3.800 108.006 53.475 1.939 158.344 -151.170 -LYS 9 3.800 68.560 52.443 2.541 119.295 -144.935 -ASP 10 3.800 131.779 12.124 1.709 117.323 -92.250 -GLY 11 3.800 130.281 -23.491 0.000 0.000 0.000 -GLY 12 3.800 142.971 -119.978 0.000 0.000 0.000 -PRO 13 3.800 122.659 -79.148 1.345 116.827 -123.620 -SER 14 3.800 119.218 139.760 1.150 100.354 -70.914 -SER 15 3.800 93.494 116.914 1.150 125.091 -3.297 -GLY 16 3.800 127.775 26.897 0.000 0.000 0.000 -ARG 17 3.800 101.805 132.688 3.020 166.970 138.147 -PRO 18 3.800 66.389 55.586 1.345 118.350 -128.915 -PRO 19 3.800 121.236 -106.893 1.345 129.030 -133.788 -PRO 20 3.800 111.175 -27.999 1.345 139.436 134.478 -SER 21 3.800 164.077 -70.118 1.150 157.129 -20.366 -D 22 3.800 93.387 -39.051 0.000 0.000 0.000 - -Geometry of the virtual chain. - Res d Theta Gamma Dsc Alpha Beta -D 1 0.000 0.000 0.000 0.000 0.000 0.000 -ASN 2 3.800 0.000 0.000 1.684 114.000 -88.642 -LEU 3 3.800 96.141 0.000 1.939 140.894 -113.208 -TYR 4 3.800 87.405 77.091 2.484 93.239 -86.958 -ILE 5 3.800 147.216 -175.322 1.776 153.361 -79.404 -GLN 6 3.800 96.522 -170.100 2.240 160.486 -127.411 -TRP 7 3.800 144.001 80.992 2.605 143.309 152.304 -LEU 8 3.800 113.013 75.225 1.939 139.872 -89.247 -LYS 9 3.800 145.055 -20.883 2.541 132.098 -124.620 -ASP 10 3.800 90.525 -146.225 1.709 154.677 -22.698 -GLY 11 3.800 107.318 158.952 0.000 0.000 0.000 -GLY 12 3.800 151.543 43.998 0.000 0.000 0.000 -PRO 13 3.800 136.735 -1.403 1.345 112.786 -114.361 -SER 14 3.800 116.316 142.182 1.150 103.145 -68.780 -SER 15 3.800 142.223 -56.847 1.150 129.203 -62.685 -GLY 16 3.800 127.522 -110.930 0.000 0.000 0.000 -ARG 17 3.800 110.886 -43.068 3.020 112.995 -65.299 -PRO 18 3.800 122.184 -135.189 1.345 101.208 -129.079 -PRO 19 3.800 87.439 -33.309 1.345 101.394 -119.184 -PRO 20 3.800 97.899 -159.323 1.345 128.396 -178.211 -SER 21 3.800 152.891 -29.478 1.150 157.908 -116.346 -D 22 3.800 101.881 145.126 0.000 0.000 0.000 - -Geometry of the virtual chain. - Res d Theta Gamma Dsc Alpha Beta -D 1 0.000 0.000 0.000 0.000 0.000 0.000 -ASN 2 3.800 0.000 0.000 1.684 152.451 1.160 -LEU 3 3.800 90.482 0.000 1.939 140.846 -69.177 -TYR 4 3.800 136.681 -39.118 2.484 151.080 -9.813 -ILE 5 3.800 113.146 -167.830 1.776 141.436 -79.527 -GLN 6 3.800 146.772 155.802 2.240 168.126 7.376 -TRP 7 3.800 135.115 -160.481 2.605 128.957 -172.534 -LEU 8 3.800 135.285 -141.340 1.939 147.900 -143.995 -LYS 9 3.800 89.270 -55.131 2.541 166.672 -108.337 -ASP 10 3.800 55.956 -60.619 1.709 134.046 -112.952 -GLY 11 3.800 92.100 169.103 0.000 0.000 0.000 -GLY 12 3.800 138.296 -2.423 0.000 0.000 0.000 -PRO 13 3.800 114.147 -138.249 1.345 115.943 -127.503 -SER 14 3.800 130.941 -127.770 1.150 134.129 -79.388 -SER 15 3.800 98.712 88.707 1.150 107.842 -55.468 -GLY 16 3.800 114.050 126.623 0.000 0.000 0.000 -ARG 17 3.800 115.724 127.195 3.020 164.969 -92.479 -PRO 18 3.800 82.414 104.873 1.345 107.691 -119.095 -PRO 19 3.800 90.343 1.071 1.345 120.567 -129.997 -PRO 20 3.800 121.917 76.524 1.345 118.421 -124.228 -SER 21 3.800 116.671 -13.844 1.150 105.716 -72.186 -D 22 3.800 118.673 -156.975 0.000 0.000 0.000 - -Geometry of the virtual chain. - Res d Theta Gamma Dsc Alpha Beta -D 1 0.000 0.000 0.000 0.000 0.000 0.000 -ASN 2 3.800 0.000 0.000 1.684 123.688 -87.760 -LEU 3 3.800 93.152 0.000 1.939 162.300 169.126 -TYR 4 3.800 91.532 -178.059 2.484 129.280 -5.533 -ILE 5 3.800 122.433 -48.440 1.776 167.817 162.440 -GLN 6 3.800 131.226 -58.605 2.240 159.043 -84.061 -TRP 7 3.800 120.828 -31.188 2.605 132.653 -157.425 -LEU 8 3.800 139.919 -84.684 1.939 148.376 -109.564 -LYS 9 3.800 118.286 -32.802 2.541 132.337 -43.403 -ASP 10 3.800 154.062 -111.988 1.709 140.817 -29.672 -GLY 11 3.800 112.618 52.381 0.000 0.000 0.000 -GLY 12 3.800 143.315 -120.906 0.000 0.000 0.000 -PRO 13 3.800 144.495 30.370 1.345 97.655 -122.435 -SER 14 3.800 100.177 -39.023 1.150 156.513 -23.746 -SER 15 3.800 86.844 173.781 1.150 169.591 -89.003 -GLY 16 3.800 89.696 110.828 0.000 0.000 0.000 -ARG 17 3.800 118.221 -20.352 3.020 139.097 -140.180 -PRO 18 3.800 100.335 64.516 1.345 123.934 -148.263 -PRO 19 3.800 133.197 110.097 1.345 131.378 -173.711 -PRO 20 3.800 152.351 42.090 1.345 105.487 -102.163 -SER 21 3.800 112.228 -166.674 1.150 100.777 -62.532 -D 22 3.800 124.842 169.739 0.000 0.000 0.000 - -Geometry of the virtual chain. - Res d Theta Gamma Dsc Alpha Beta -D 1 0.000 0.000 0.000 0.000 0.000 0.000 -ASN 2 3.800 0.000 0.000 1.684 99.439 -82.175 -LEU 3 3.800 137.428 0.000 1.939 150.347 -28.441 -TYR 4 3.800 92.458 -155.904 2.484 148.729 3.663 -ILE 5 3.800 142.453 -103.152 1.776 141.333 -92.924 -GLN 6 3.800 94.741 -51.476 2.240 135.193 -87.692 -TRP 7 3.800 103.681 78.106 2.605 125.925 -0.011 -LEU 8 3.800 101.635 167.054 1.939 132.881 -34.309 -LYS 9 3.800 127.285 -100.300 2.541 144.483 -91.990 -ASP 10 3.800 93.118 113.831 1.709 137.000 -135.777 -GLY 11 3.800 85.931 -20.410 0.000 0.000 0.000 -GLY 12 3.800 107.407 -101.786 0.000 0.000 0.000 -PRO 13 3.800 140.242 17.092 1.345 122.488 -121.252 -SER 14 3.800 114.062 -162.066 1.150 168.373 -38.435 -SER 15 3.800 94.478 -73.593 1.150 153.350 -107.266 -GLY 16 3.800 87.133 117.491 0.000 0.000 0.000 -ARG 17 3.800 131.044 -90.027 3.020 164.137 89.902 -PRO 18 3.800 90.906 -145.968 1.345 136.886 -163.811 -PRO 19 3.800 142.799 32.524 1.345 129.762 -155.282 -PRO 20 3.800 147.185 -6.109 1.345 112.366 -108.186 -SER 21 3.800 120.069 25.237 1.150 112.577 -75.194 -D 22 3.800 95.381 155.019 0.000 0.000 0.000 - -Geometry of the virtual chain. - Res d Theta Gamma Dsc Alpha Beta -D 1 0.000 0.000 0.000 0.000 0.000 0.000 -ASN 2 3.800 0.000 0.000 1.684 147.740 -112.884 -LEU 3 3.800 107.242 0.000 1.939 142.052 -51.994 -TYR 4 3.800 127.321 -126.979 2.484 107.995 -94.691 -ILE 5 3.800 125.033 53.753 1.776 143.273 -86.910 -GLN 6 3.800 86.984 108.013 2.240 170.163 -80.250 -TRP 7 3.800 148.146 -19.481 2.605 151.622 25.243 -LEU 8 3.800 109.004 -31.401 1.939 141.238 -146.846 -LYS 9 3.800 98.494 -104.153 2.541 158.838 24.664 -ASP 10 3.800 150.080 105.106 1.709 156.984 -29.268 -GLY 11 3.800 106.869 -98.518 0.000 0.000 0.000 -GLY 12 3.800 130.936 -86.371 0.000 0.000 0.000 -PRO 13 3.800 111.416 -136.187 1.345 91.472 -99.670 -SER 14 3.800 103.810 26.188 1.150 99.854 -70.007 -SER 15 3.800 124.346 -171.953 1.150 85.039 -66.717 -GLY 16 3.800 119.932 45.025 0.000 0.000 0.000 -ARG 17 3.800 116.407 178.981 3.020 173.431 -69.673 -PRO 18 3.800 74.656 -119.577 1.345 95.497 -103.687 -PRO 19 3.800 104.796 -25.488 1.345 110.238 -113.761 -PRO 20 3.800 126.953 101.827 1.345 104.859 -126.192 -SER 21 3.800 96.792 129.752 1.150 137.691 -36.491 -D 22 3.800 89.725 100.610 0.000 0.000 0.000 - -Geometry of the virtual chain. - Res d Theta Gamma Dsc Alpha Beta -D 1 0.000 0.000 0.000 0.000 0.000 0.000 -ASN 2 3.800 0.000 0.000 1.684 149.291 -162.320 -LEU 3 3.800 92.063 0.000 1.939 153.072 -49.338 -TYR 4 3.800 83.080 -100.429 2.484 103.993 -85.276 -ILE 5 3.800 153.360 123.690 1.776 148.964 -78.972 -GLN 6 3.800 87.914 -77.578 2.240 155.128 -73.310 -TRP 7 3.800 113.656 -173.097 2.605 151.554 100.157 -LEU 8 3.800 82.465 -65.961 1.939 147.438 -54.320 -LYS 9 3.800 106.650 -92.330 2.541 179.046 -135.356 -ASP 10 3.800 98.544 -74.880 1.709 99.637 -56.379 -GLY 11 3.800 139.787 32.916 0.000 0.000 0.000 -GLY 12 3.800 108.081 -135.791 0.000 0.000 0.000 -PRO 13 3.800 131.639 33.416 1.345 121.766 -133.127 -SER 14 3.800 131.897 3.555 1.150 136.292 -19.034 -SER 15 3.800 107.702 62.626 1.150 104.438 -65.343 -GLY 16 3.800 116.642 143.616 0.000 0.000 0.000 -ARG 17 3.800 145.583 -66.464 3.020 146.949 -160.312 -PRO 18 3.800 126.020 -144.752 1.345 116.846 -131.371 -PRO 19 3.800 135.549 94.808 1.345 121.067 -125.895 -PRO 20 3.800 113.779 -154.504 1.345 127.704 -170.877 -SER 21 3.800 151.964 33.947 1.150 155.230 -48.351 -D 22 3.800 97.940 29.840 0.000 0.000 0.000 - -Geometry of the virtual chain. - Res d Theta Gamma Dsc Alpha Beta -D 1 0.000 0.000 0.000 0.000 0.000 0.000 -ASN 2 3.800 0.000 0.000 1.684 163.082 -4.075 -LEU 3 3.800 112.950 0.000 1.939 148.521 -113.877 -TYR 4 3.800 69.622 131.497 2.484 150.163 -178.208 -ILE 5 3.800 116.801 -52.642 1.776 136.305 -68.879 -GLN 6 3.800 90.193 -179.556 2.240 154.515 -22.483 -TRP 7 3.800 118.907 165.209 2.605 142.972 -156.336 -LEU 8 3.800 133.991 7.347 1.939 147.260 -77.086 -LYS 9 3.800 75.445 -91.724 2.541 145.560 -111.925 -ASP 10 3.800 104.595 -107.695 1.709 136.828 -90.119 -GLY 11 3.800 100.430 -150.823 0.000 0.000 0.000 -GLY 12 3.800 116.086 84.786 0.000 0.000 0.000 -PRO 13 3.800 115.888 145.360 1.345 102.138 -121.401 -SER 14 3.800 104.578 -71.027 1.150 148.601 -91.322 -SER 15 3.800 110.628 73.091 1.150 147.725 -139.601 -GLY 16 3.800 102.764 179.814 0.000 0.000 0.000 -ARG 17 3.800 102.801 161.900 3.020 130.080 131.371 -PRO 18 3.800 105.165 -116.248 1.345 127.408 -159.198 -PRO 19 3.800 148.596 121.156 1.345 117.034 -125.684 -PRO 20 3.800 123.967 141.080 1.345 119.826 -119.666 -SER 21 3.800 108.712 31.192 1.150 77.157 -58.084 -D 22 3.800 152.290 -23.838 0.000 0.000 0.000 - -Geometry of the virtual chain. - Res d Theta Gamma Dsc Alpha Beta -D 1 0.000 0.000 0.000 0.000 0.000 0.000 -ASN 2 3.800 0.000 0.000 1.684 137.856 -41.034 -LEU 3 3.800 131.604 0.000 1.939 107.290 -37.229 -TYR 4 3.800 159.929 174.930 2.484 136.424 179.541 -ILE 5 3.800 89.794 -84.133 1.776 165.884 163.138 -GLN 6 3.800 129.788 -97.727 2.240 122.879 -149.029 -TRP 7 3.800 117.340 102.238 2.605 144.209 167.243 -LEU 8 3.800 126.596 44.665 1.939 143.867 -116.555 -LYS 9 3.800 106.908 -166.106 2.541 149.409 -165.546 -ASP 10 3.800 75.995 164.718 1.709 112.570 -100.162 -GLY 11 3.800 125.317 -29.632 0.000 0.000 0.000 -GLY 12 3.800 115.370 -173.734 0.000 0.000 0.000 -PRO 13 3.800 113.764 -158.448 1.345 120.173 -124.814 -SER 14 3.800 111.570 -133.062 1.150 82.888 -55.869 -SER 15 3.800 151.136 -32.671 1.150 92.451 -60.622 -GLY 16 3.800 154.218 146.909 0.000 0.000 0.000 -ARG 17 3.800 119.475 -156.736 3.020 138.328 -130.742 -PRO 18 3.800 143.446 -165.993 1.345 104.816 -119.720 -PRO 19 3.800 95.819 124.446 1.345 129.158 -136.687 -PRO 20 3.800 122.216 111.751 1.345 105.581 -135.065 -SER 21 3.800 105.783 159.112 1.150 158.464 -66.547 -D 22 3.800 118.522 12.377 0.000 0.000 0.000 - -Geometry of the virtual chain. - Res d Theta Gamma Dsc Alpha Beta -D 1 0.000 0.000 0.000 0.000 0.000 0.000 -ASN 2 3.800 0.000 0.000 1.684 111.181 -95.401 -LEU 3 3.800 130.414 0.000 1.939 143.778 -37.557 -TYR 4 3.800 123.905 179.745 2.484 139.569 -7.680 -ILE 5 3.800 133.081 -70.635 1.776 145.946 -102.019 -GLN 6 3.800 102.714 -113.021 2.240 167.156 131.903 -TRP 7 3.800 108.652 163.505 2.605 108.324 -86.373 -LEU 8 3.800 135.553 -140.052 1.939 173.549 -166.543 -LYS 9 3.800 91.521 -177.152 2.541 153.042 -46.413 -ASP 10 3.800 129.281 -49.850 1.709 134.205 -95.794 -GLY 11 3.800 100.392 -125.235 0.000 0.000 0.000 -GLY 12 3.800 144.548 151.978 0.000 0.000 0.000 -PRO 13 3.800 108.772 167.290 1.345 106.889 -105.533 -SER 14 3.800 114.402 120.434 1.150 110.405 -71.925 -SER 15 3.800 90.839 167.453 1.150 163.935 -96.535 -GLY 16 3.800 92.794 125.344 0.000 0.000 0.000 -ARG 17 3.800 118.597 -76.721 3.020 154.156 -149.445 -PRO 18 3.800 143.641 -126.245 1.345 120.462 -121.269 -PRO 19 3.800 111.830 -179.549 1.345 104.462 -74.044 -PRO 20 3.800 57.413 90.830 1.345 126.439 -144.707 -SER 21 3.800 126.440 -178.830 1.150 136.649 -103.584 -D 22 3.800 111.128 131.362 0.000 0.000 0.000 - -Geometry of the virtual chain. - Res d Theta Gamma Dsc Alpha Beta -D 1 0.000 0.000 0.000 0.000 0.000 0.000 -ASN 2 3.800 0.000 0.000 1.684 142.055 -100.929 -LEU 3 3.800 106.604 0.000 1.939 148.817 -129.342 -TYR 4 3.800 94.415 -35.991 2.484 147.806 152.294 -ILE 5 3.800 128.348 49.381 1.776 162.166 -134.939 -GLN 6 3.800 142.851 -57.600 2.240 147.545 -133.304 -TRP 7 3.800 124.849 146.621 2.605 163.258 51.653 -LEU 8 3.800 141.037 -25.511 1.939 144.977 -31.443 -LYS 9 3.800 104.165 -128.087 2.541 172.153 -94.075 -ASP 10 3.800 107.708 -26.760 1.709 130.277 -90.072 -GLY 11 3.800 119.993 92.704 0.000 0.000 0.000 -GLY 12 3.800 123.746 -22.581 0.000 0.000 0.000 -PRO 13 3.800 119.249 -92.337 1.345 143.909 162.619 -SER 14 3.800 156.506 -148.934 1.150 146.693 -140.570 -SER 15 3.800 117.820 -154.886 1.150 138.769 -80.405 -GLY 16 3.800 99.326 -107.696 0.000 0.000 0.000 -ARG 17 3.800 146.235 -130.350 3.020 153.907 -104.558 -PRO 18 3.800 114.471 -7.266 1.345 128.743 -139.711 -PRO 19 3.800 119.178 -97.405 1.345 92.884 -119.876 -PRO 20 3.800 64.441 -74.566 1.345 126.060 -131.810 -SER 21 3.800 120.504 105.601 1.150 147.998 27.134 -D 22 3.800 92.079 -133.078 0.000 0.000 0.000 - -Geometry of the virtual chain. - Res d Theta Gamma Dsc Alpha Beta -D 1 0.000 0.000 0.000 0.000 0.000 0.000 -ASN 2 3.800 0.000 0.000 1.684 141.861 -168.732 -LEU 3 3.800 101.186 0.000 1.939 166.702 -4.032 -TYR 4 3.800 94.864 -3.834 2.484 116.185 -97.553 -ILE 5 3.800 106.626 -94.379 1.776 137.699 -85.783 -GLN 6 3.800 145.266 -155.864 2.240 148.479 -152.735 -TRP 7 3.800 94.620 -32.077 2.605 146.073 164.440 -LEU 8 3.800 79.401 -131.906 1.939 154.865 -139.174 -LYS 9 3.800 84.259 106.636 2.541 162.011 -96.874 -ASP 10 3.800 141.729 57.397 1.709 126.350 -76.939 -GLY 11 3.800 124.062 -154.792 0.000 0.000 0.000 -GLY 12 3.800 113.180 26.121 0.000 0.000 0.000 -PRO 13 3.800 129.179 6.900 1.345 131.442 -134.866 -SER 14 3.800 114.236 -144.312 1.150 149.679 -77.116 -SER 15 3.800 96.783 43.969 1.150 154.610 -146.813 -GLY 16 3.800 90.023 -39.146 0.000 0.000 0.000 -ARG 17 3.800 136.718 -75.381 3.020 142.277 -140.372 -PRO 18 3.800 113.513 116.818 1.345 127.141 -140.681 -PRO 19 3.800 124.891 10.147 1.345 129.307 -148.404 -PRO 20 3.800 133.371 -156.275 1.345 101.549 -125.428 -SER 21 3.800 96.563 -17.150 1.150 86.213 -64.025 -D 22 3.800 138.861 -44.668 0.000 0.000 0.000 - -Geometry of the virtual chain. - Res d Theta Gamma Dsc Alpha Beta -D 1 0.000 0.000 0.000 0.000 0.000 0.000 -ASN 2 3.800 0.000 0.000 1.684 144.399 -37.267 -LEU 3 3.800 111.718 0.000 1.939 151.667 -111.281 -TYR 4 3.800 121.074 -106.483 2.484 144.166 -160.069 -ILE 5 3.800 122.754 66.100 1.776 141.689 -95.410 -GLN 6 3.800 85.390 -86.245 2.240 113.275 -23.602 -TRP 7 3.800 103.021 -142.589 2.605 155.288 164.820 -LEU 8 3.800 101.528 -172.664 1.939 157.500 -22.205 -LYS 9 3.800 100.470 -132.267 2.541 130.853 -65.054 -ASP 10 3.800 78.864 17.751 1.709 128.113 -94.884 -GLY 11 3.800 100.640 -141.725 0.000 0.000 0.000 -GLY 12 3.800 140.549 -172.050 0.000 0.000 0.000 -PRO 13 3.800 136.098 153.241 1.345 126.053 -128.372 -SER 14 3.800 115.077 -170.894 1.150 102.333 -72.835 -SER 15 3.800 117.565 85.415 1.150 102.757 -67.660 -GLY 16 3.800 125.115 -114.232 0.000 0.000 0.000 -ARG 17 3.800 131.252 173.779 3.020 162.229 -79.509 -PRO 18 3.800 107.334 -176.321 1.345 120.444 -139.480 -PRO 19 3.800 137.031 -89.698 1.345 103.962 -131.512 -PRO 20 3.800 105.480 177.813 1.345 119.761 -119.876 -SER 21 3.800 105.268 123.199 1.150 107.376 -77.838 -D 22 3.800 100.012 163.654 0.000 0.000 0.000 - -Geometry of the virtual chain. - Res d Theta Gamma Dsc Alpha Beta -D 1 0.000 0.000 0.000 0.000 0.000 0.000 -ASN 2 3.800 0.000 0.000 1.684 116.319 -91.597 -LEU 3 3.800 137.535 0.000 1.939 118.288 -79.338 -TYR 4 3.800 130.665 148.230 2.484 157.828 177.190 -ILE 5 3.800 117.121 18.210 1.776 148.282 -81.445 -GLN 6 3.800 65.580 130.513 2.240 153.866 -71.591 -TRP 7 3.800 111.396 -85.175 2.605 103.849 -84.834 -LEU 8 3.800 138.727 -108.005 1.939 165.450 -117.665 -LYS 9 3.800 110.367 60.376 2.541 179.598 124.133 -ASP 10 3.800 121.253 -84.383 1.709 154.072 -15.497 -GLY 11 3.800 91.710 -65.546 0.000 0.000 0.000 -GLY 12 3.800 134.982 -137.207 0.000 0.000 0.000 -PRO 13 3.800 110.839 26.954 1.345 101.354 -125.613 -SER 14 3.800 97.020 100.912 1.150 142.983 -100.240 -SER 15 3.800 130.501 -113.542 1.150 46.780 -34.521 -GLY 16 3.800 171.000 -173.525 0.000 0.000 0.000 -ARG 17 3.800 136.311 129.325 3.020 136.579 -117.751 -PRO 18 3.800 105.662 21.177 1.345 119.209 -131.360 -PRO 19 3.800 133.805 -136.457 1.345 123.234 -147.992 -PRO 20 3.800 134.746 125.167 1.345 115.820 -122.591 -SER 21 3.800 126.837 172.635 1.150 150.595 -24.877 -D 22 3.800 95.824 -52.627 0.000 0.000 0.000 - -Geometry of the virtual chain. - Res d Theta Gamma Dsc Alpha Beta -D 1 0.000 0.000 0.000 0.000 0.000 0.000 -ASN 2 3.800 0.000 0.000 1.684 128.013 -134.824 -LEU 3 3.800 120.656 0.000 1.939 145.382 -150.146 -TYR 4 3.800 97.417 84.853 2.484 113.406 -89.949 -ILE 5 3.800 146.013 69.437 1.776 155.221 -69.274 -GLN 6 3.800 117.019 104.516 2.240 146.411 -164.022 -TRP 7 3.800 99.219 82.568 2.605 101.308 -90.208 -LEU 8 3.800 140.293 -88.123 1.939 140.148 -90.646 -LYS 9 3.800 101.035 -119.631 2.541 144.645 -3.219 -ASP 10 3.800 114.277 -87.147 1.709 162.304 -20.123 -GLY 11 3.800 94.261 17.213 0.000 0.000 0.000 -GLY 12 3.800 120.203 118.167 0.000 0.000 0.000 -PRO 13 3.800 121.345 44.863 1.345 107.782 -120.985 -SER 14 3.800 93.946 8.119 1.150 152.532 -18.801 -SER 15 3.800 64.176 74.349 1.150 100.651 -69.082 -GLY 16 3.800 124.609 -26.321 0.000 0.000 0.000 -ARG 17 3.800 104.859 -157.846 3.020 135.834 -129.879 -PRO 18 3.800 110.508 115.492 1.345 119.432 -121.472 -PRO 19 3.800 104.172 -101.114 1.345 124.876 -172.159 -PRO 20 3.800 154.470 81.480 1.345 92.104 -114.011 -SER 21 3.800 91.446 117.788 1.150 128.560 -103.736 -D 22 3.800 114.440 -95.525 0.000 0.000 0.000 - -Geometry of the virtual chain. - Res d Theta Gamma Dsc Alpha Beta -D 1 0.000 0.000 0.000 0.000 0.000 0.000 -ASN 2 3.800 0.000 0.000 1.684 147.426 -129.430 -LEU 3 3.800 96.059 0.000 1.939 151.827 -17.833 -TYR 4 3.800 98.434 125.969 2.484 137.742 3.885 -ILE 5 3.800 87.124 101.575 1.776 143.333 -87.533 -GLN 6 3.800 82.090 162.498 2.240 159.584 165.580 -TRP 7 3.800 120.100 106.855 2.605 146.185 172.252 -LEU 8 3.800 137.621 156.233 1.939 136.216 -97.514 -LYS 9 3.800 130.280 -110.096 2.541 152.767 -155.993 -ASP 10 3.800 117.088 62.260 1.709 122.651 -88.273 -GLY 11 3.800 119.255 -120.441 0.000 0.000 0.000 -GLY 12 3.800 98.474 102.628 0.000 0.000 0.000 -PRO 13 3.800 133.687 1.485 1.345 116.676 -130.008 -SER 14 3.800 124.212 45.972 1.150 131.532 -148.304 -SER 15 3.800 116.286 -142.372 1.150 100.027 -78.531 -GLY 16 3.800 86.966 -73.608 0.000 0.000 0.000 -ARG 17 3.800 85.560 -100.447 3.020 125.954 -73.904 -PRO 18 3.800 115.353 -30.645 1.345 124.369 -135.884 -PRO 19 3.800 130.708 -129.454 1.345 117.772 -119.540 -PRO 20 3.800 106.816 27.174 1.345 128.919 -141.420 -SER 21 3.800 127.648 38.115 1.150 145.684 -30.068 -D 22 3.800 82.150 -50.493 0.000 0.000 0.000 - -Geometry of the virtual chain. - Res d Theta Gamma Dsc Alpha Beta -D 1 0.000 0.000 0.000 0.000 0.000 0.000 -ASN 2 3.800 0.000 0.000 1.684 108.461 -76.549 -LEU 3 3.800 142.324 0.000 1.939 152.470 -127.882 -TYR 4 3.800 127.767 91.932 2.484 144.648 -1.065 -ILE 5 3.800 112.251 97.576 1.776 147.858 -78.891 -GLN 6 3.800 95.916 -143.015 2.240 156.383 -114.523 -TRP 7 3.800 132.965 86.363 2.605 163.275 -158.736 -LEU 8 3.800 128.343 -132.717 1.939 162.487 -1.925 -LYS 9 3.800 92.497 -24.710 2.541 142.415 16.473 -ASP 10 3.800 82.246 106.952 1.709 148.516 -118.881 -GLY 11 3.800 94.145 -50.533 0.000 0.000 0.000 -GLY 12 3.800 137.029 95.103 0.000 0.000 0.000 -PRO 13 3.800 122.355 130.282 1.345 138.842 -161.535 -SER 14 3.800 133.448 -18.209 1.150 93.100 -65.611 -SER 15 3.800 110.526 -179.938 1.150 100.432 -75.621 -GLY 16 3.800 98.155 -116.172 0.000 0.000 0.000 -ARG 17 3.800 150.071 -64.046 3.020 141.788 157.540 -PRO 18 3.800 127.162 -13.270 1.345 126.150 -146.798 -PRO 19 3.800 143.726 -82.376 1.345 127.778 -131.248 -PRO 20 3.800 114.254 -149.465 1.345 124.399 -132.581 -SER 21 3.800 118.046 159.876 1.150 140.423 -92.612 -D 22 3.800 124.394 -38.455 0.000 0.000 0.000 - -Geometry of the virtual chain. - Res d Theta Gamma Dsc Alpha Beta -D 1 0.000 0.000 0.000 0.000 0.000 0.000 -ASN 2 3.800 0.000 0.000 1.684 150.631 -139.218 -LEU 3 3.800 94.734 0.000 1.939 146.104 -107.444 -TYR 4 3.800 106.802 -154.611 2.484 131.511 -147.888 -ILE 5 3.800 135.059 85.731 1.776 165.379 -128.121 -GLN 6 3.800 115.024 111.061 2.240 142.202 -62.835 -TRP 7 3.800 113.122 42.060 2.605 112.235 -94.727 -LEU 8 3.800 141.118 -26.329 1.939 139.203 -143.791 -LYS 9 3.800 134.685 31.061 2.541 146.789 -98.245 -ASP 10 3.800 156.983 35.627 1.709 165.905 27.599 -GLY 11 3.800 93.258 60.060 0.000 0.000 0.000 -GLY 12 3.800 133.929 -178.667 0.000 0.000 0.000 -PRO 13 3.800 104.687 113.114 1.345 113.295 -115.857 -SER 14 3.800 116.193 44.546 1.150 115.449 -61.277 -SER 15 3.800 92.644 -57.783 1.150 104.494 -66.001 -GLY 16 3.800 97.298 -43.842 0.000 0.000 0.000 -ARG 17 3.800 135.339 44.941 3.020 143.938 -50.152 -PRO 18 3.800 122.080 -49.023 1.345 148.084 122.059 -PRO 19 3.800 164.943 176.159 1.345 96.518 -100.030 -PRO 20 3.800 93.569 -102.400 1.345 131.880 172.064 -SER 21 3.800 156.464 41.022 1.150 112.752 -79.924 -D 22 3.800 131.380 100.632 0.000 0.000 0.000 - -Geometry of the virtual chain. - Res d Theta Gamma Dsc Alpha Beta -D 1 0.000 0.000 0.000 0.000 0.000 0.000 -ASN 2 3.800 0.000 0.000 1.684 155.756 -25.545 -LEU 3 3.800 95.969 0.000 1.939 156.162 -45.483 -TYR 4 3.800 112.413 170.358 2.484 141.784 173.823 -ILE 5 3.800 104.682 46.719 1.776 158.976 -156.817 -GLN 6 3.800 119.669 -168.039 2.240 135.631 -108.851 -TRP 7 3.800 94.678 177.339 2.605 150.154 -175.575 -LEU 8 3.800 131.396 105.544 1.939 158.235 -148.903 -LYS 9 3.800 89.035 -148.810 2.541 167.832 -94.654 -ASP 10 3.800 115.999 36.624 1.709 134.733 -91.614 -GLY 11 3.800 91.341 -134.723 0.000 0.000 0.000 -GLY 12 3.800 102.090 -104.087 0.000 0.000 0.000 -PRO 13 3.800 150.729 90.706 1.345 127.080 -136.299 -SER 14 3.800 127.789 -149.143 1.150 102.252 -68.698 -SER 15 3.800 99.060 79.954 1.150 107.697 -71.083 -GLY 16 3.800 86.321 -107.820 0.000 0.000 0.000 -ARG 17 3.800 124.566 -76.938 3.020 149.003 69.308 -PRO 18 3.800 116.657 -70.111 1.345 118.741 -135.593 -PRO 19 3.800 126.604 21.078 1.345 113.297 -87.352 -PRO 20 3.800 51.134 54.835 1.345 102.503 -104.865 -SER 21 3.800 99.968 52.146 1.150 85.245 -64.399 -D 22 3.800 145.333 48.596 0.000 0.000 0.000 - -Geometry of the virtual chain. - Res d Theta Gamma Dsc Alpha Beta -D 1 0.000 0.000 0.000 0.000 0.000 0.000 -ASN 2 3.800 0.000 0.000 1.684 135.313 -138.744 -LEU 3 3.800 99.275 0.000 1.939 142.605 -72.164 -TYR 4 3.800 131.930 65.116 2.484 144.936 -160.151 -ILE 5 3.800 111.678 -62.164 1.776 137.870 -57.116 -GLN 6 3.800 113.882 -85.085 2.240 151.786 -172.156 -TRP 7 3.800 106.630 99.545 2.605 110.741 -83.797 -LEU 8 3.800 139.319 64.401 1.939 166.288 -159.273 -LYS 9 3.800 96.052 134.860 2.541 140.301 -173.326 -ASP 10 3.800 92.290 179.644 1.709 145.445 -141.434 -GLY 11 3.800 94.173 -85.324 0.000 0.000 0.000 -GLY 12 3.800 140.954 12.908 0.000 0.000 0.000 -PRO 13 3.800 128.133 179.001 1.345 112.944 -116.919 -SER 14 3.800 121.978 138.828 1.150 110.394 -52.461 -SER 15 3.800 106.624 -25.203 1.150 85.454 -72.858 -GLY 16 3.800 127.337 89.591 0.000 0.000 0.000 -ARG 17 3.800 146.046 -13.584 3.020 144.840 -158.125 -PRO 18 3.800 135.416 160.449 1.345 112.886 -128.410 -PRO 19 3.800 134.250 39.551 1.345 129.979 -146.263 -PRO 20 3.800 123.904 -54.259 1.345 92.336 -98.029 -SER 21 3.800 87.828 -118.431 1.150 145.756 17.274 -D 22 3.800 98.108 109.057 0.000 0.000 0.000 - -Geometry of the virtual chain. - Res d Theta Gamma Dsc Alpha Beta -D 1 0.000 0.000 0.000 0.000 0.000 0.000 -ASN 2 3.800 0.000 0.000 1.684 131.876 -107.022 -LEU 3 3.800 128.578 0.000 1.939 137.600 -52.596 -TYR 4 3.800 133.355 -20.709 2.484 144.261 -1.672 -ILE 5 3.800 118.045 152.109 1.776 147.012 -79.312 -GLN 6 3.800 101.269 102.248 2.240 134.549 152.683 -TRP 7 3.800 152.679 -23.521 2.605 95.581 -67.901 -LEU 8 3.800 141.884 -141.046 1.939 149.925 -127.249 -LYS 9 3.800 118.712 -29.026 2.541 111.713 -24.718 -ASP 10 3.800 94.219 -60.124 1.709 134.098 -99.891 -GLY 11 3.800 93.270 -66.918 0.000 0.000 0.000 -GLY 12 3.800 132.469 -2.748 0.000 0.000 0.000 -PRO 13 3.800 107.857 151.673 1.345 100.504 -126.241 -SER 14 3.800 103.725 -9.605 1.150 154.474 -110.610 -SER 15 3.800 111.411 -5.636 1.150 109.209 -65.779 -GLY 16 3.800 98.069 60.176 0.000 0.000 0.000 -ARG 17 3.800 113.408 -16.003 3.020 113.466 -42.057 -PRO 18 3.800 123.789 48.299 1.345 128.745 -131.151 -PRO 19 3.800 100.101 123.666 1.345 101.392 -114.588 -PRO 20 3.800 92.464 127.528 1.345 91.583 -98.983 -SER 21 3.800 84.616 6.497 1.150 142.563 -49.520 -D 22 3.800 94.281 -156.977 0.000 0.000 0.000 - -Geometry of the virtual chain. - Res d Theta Gamma Dsc Alpha Beta -D 1 0.000 0.000 0.000 0.000 0.000 0.000 -ASN 2 3.800 0.000 0.000 1.684 111.144 -84.194 -LEU 3 3.800 136.872 0.000 1.939 153.176 -77.523 -TYR 4 3.800 120.894 -154.059 2.484 93.529 -92.895 -ILE 5 3.800 146.706 -116.351 1.776 133.274 -71.610 -GLN 6 3.800 92.897 -162.563 2.240 162.862 14.866 -TRP 7 3.800 152.722 -122.349 2.605 142.726 27.559 -LEU 8 3.800 87.038 2.884 1.939 143.886 -113.278 -LYS 9 3.800 139.225 109.279 2.541 140.843 -31.243 -ASP 10 3.800 149.519 -160.367 1.709 148.399 -106.949 -GLY 11 3.800 70.258 60.225 0.000 0.000 0.000 -GLY 12 3.800 97.158 161.452 0.000 0.000 0.000 -PRO 13 3.800 95.343 141.080 1.345 103.504 -93.362 -SER 14 3.800 93.348 -141.388 1.150 154.027 -131.726 -SER 15 3.800 89.137 15.021 1.150 72.222 -60.380 -GLY 16 3.800 147.834 113.018 0.000 0.000 0.000 -ARG 17 3.800 100.226 -1.812 3.020 151.379 -65.640 -PRO 18 3.800 137.363 102.939 1.345 125.417 -160.215 -PRO 19 3.800 151.599 -86.236 1.345 120.523 -118.053 -PRO 20 3.800 104.285 -166.730 1.345 106.618 -128.108 -SER 21 3.800 101.833 79.081 1.150 104.708 -53.581 -D 22 3.800 102.760 41.785 0.000 0.000 0.000 - -Geometry of the virtual chain. - Res d Theta Gamma Dsc Alpha Beta -D 1 0.000 0.000 0.000 0.000 0.000 0.000 -ASN 2 3.800 0.000 0.000 1.684 130.427 -113.280 -LEU 3 3.800 119.966 0.000 1.939 153.954 -26.423 -TYR 4 3.800 127.747 148.247 2.484 143.979 -7.507 -ILE 5 3.800 110.014 -48.265 1.776 165.717 -116.875 -GLN 6 3.800 102.990 -129.213 2.240 153.611 -40.708 -TRP 7 3.800 110.717 -73.012 2.605 151.875 165.256 -LEU 8 3.800 120.939 -30.710 1.939 143.460 -104.880 -LYS 9 3.800 125.901 170.212 2.541 141.969 -54.127 -ASP 10 3.800 92.440 56.945 1.709 110.183 -71.314 -GLY 11 3.800 122.123 -134.667 0.000 0.000 0.000 -GLY 12 3.800 120.930 29.847 0.000 0.000 0.000 -PRO 13 3.800 117.120 160.954 1.345 109.742 -108.019 -SER 14 3.800 113.637 76.415 1.150 110.157 -68.251 -SER 15 3.800 108.385 -60.848 1.150 154.873 -103.273 -GLY 16 3.800 97.347 19.836 0.000 0.000 0.000 -ARG 17 3.800 96.904 -94.301 3.020 166.128 174.053 -PRO 18 3.800 95.549 168.033 1.345 111.532 -81.200 -PRO 19 3.800 53.041 98.724 1.345 127.914 -134.853 -PRO 20 3.800 123.617 -74.928 1.345 130.062 -126.386 -SER 21 3.800 110.887 -105.975 1.150 153.120 -99.187 -D 22 3.800 134.642 -178.362 0.000 0.000 0.000 - -Geometry of the virtual chain. - Res d Theta Gamma Dsc Alpha Beta -D 1 0.000 0.000 0.000 0.000 0.000 0.000 -ASN 2 3.800 0.000 0.000 1.684 145.940 -127.077 -LEU 3 3.800 138.588 0.000 1.939 150.810 -36.190 -TYR 4 3.800 101.773 -64.032 2.484 116.430 -109.046 -ILE 5 3.800 147.938 91.551 1.776 175.514 -133.267 -GLN 6 3.800 132.092 -155.278 2.240 153.781 -53.715 -TRP 7 3.800 134.180 87.826 2.605 141.370 -25.936 -LEU 8 3.800 108.344 123.024 1.939 172.001 -115.907 -LYS 9 3.800 96.693 -1.178 2.541 156.255 -163.106 -ASP 10 3.800 147.472 27.608 1.709 157.984 2.585 -GLY 11 3.800 120.972 28.593 0.000 0.000 0.000 -GLY 12 3.800 127.467 -26.895 0.000 0.000 0.000 -PRO 13 3.800 134.581 -125.127 1.345 113.522 -112.273 -SER 14 3.800 113.211 -176.551 1.150 155.693 -90.928 -SER 15 3.800 84.364 164.655 1.150 136.482 -20.544 -GLY 16 3.800 119.848 149.833 0.000 0.000 0.000 -ARG 17 3.800 123.381 114.757 3.020 136.386 167.932 -PRO 18 3.800 142.822 163.062 1.345 96.831 -104.699 -PRO 19 3.800 76.301 25.697 1.345 113.290 -112.467 -PRO 20 3.800 108.327 -2.687 1.345 119.290 -125.441 -SER 21 3.800 110.149 168.537 1.150 107.287 -71.679 -D 22 3.800 89.702 143.870 0.000 0.000 0.000 - -Geometry of the virtual chain. - Res d Theta Gamma Dsc Alpha Beta -D 1 0.000 0.000 0.000 0.000 0.000 0.000 -ASN 2 3.800 0.000 0.000 1.684 151.278 6.582 -LEU 3 3.800 87.995 0.000 1.939 132.645 -132.901 -TYR 4 3.800 107.331 -34.500 2.484 137.630 -8.326 -ILE 5 3.800 99.380 154.698 1.776 128.892 -68.685 -GLN 6 3.800 163.022 -161.821 2.240 136.442 -115.211 -TRP 7 3.800 93.312 -9.207 2.605 96.236 -72.323 -LEU 8 3.800 159.023 84.985 1.939 119.882 -78.550 -LYS 9 3.800 148.751 140.829 2.541 170.584 -75.988 -ASP 10 3.800 110.615 113.712 1.709 160.059 8.375 -GLY 11 3.800 106.023 -115.701 0.000 0.000 0.000 -GLY 12 3.800 99.313 12.011 0.000 0.000 0.000 -PRO 13 3.800 91.462 -93.010 1.345 131.874 -159.582 -SER 14 3.800 140.623 78.865 1.150 104.660 -79.024 -SER 15 3.800 106.673 -145.292 1.150 133.814 -6.102 -GLY 16 3.800 134.624 -11.940 0.000 0.000 0.000 -ARG 17 3.800 122.716 102.493 3.020 113.532 -19.454 -PRO 18 3.800 116.339 148.795 1.345 116.555 -127.913 -PRO 19 3.800 123.046 -70.799 1.345 123.418 -135.133 -PRO 20 3.800 119.355 84.748 1.345 139.632 143.285 -SER 21 3.800 163.504 37.924 1.150 158.403 -57.263 -D 22 3.800 93.414 167.590 0.000 0.000 0.000 - -Geometry of the virtual chain. - Res d Theta Gamma Dsc Alpha Beta -D 1 0.000 0.000 0.000 0.000 0.000 0.000 -ASN 2 3.800 0.000 0.000 1.684 107.306 -85.530 -LEU 3 3.800 136.567 0.000 1.939 171.217 -151.784 -TYR 4 3.800 94.510 43.118 2.484 107.043 -94.730 -ILE 5 3.800 134.327 54.340 1.776 163.564 -91.044 -GLN 6 3.800 132.059 118.453 2.240 172.581 -83.454 -TRP 7 3.800 112.314 -13.405 2.605 161.149 73.476 -LEU 8 3.800 86.976 -117.198 1.939 151.030 -115.354 -LYS 9 3.800 106.980 173.681 2.541 129.346 -37.043 -ASP 10 3.800 104.687 108.828 1.709 165.855 -26.768 -GLY 11 3.800 92.021 -73.178 0.000 0.000 0.000 -GLY 12 3.800 120.086 -108.346 0.000 0.000 0.000 -PRO 13 3.800 109.383 98.917 1.345 113.188 -121.252 -SER 14 3.800 120.498 102.802 1.150 148.370 -115.303 -SER 15 3.800 121.453 88.268 1.150 155.312 -48.462 -GLY 16 3.800 95.440 176.025 0.000 0.000 0.000 -ARG 17 3.800 135.164 54.887 3.020 106.109 -73.773 -PRO 18 3.800 92.569 -30.442 1.345 121.408 -129.210 -PRO 19 3.800 115.517 78.402 1.345 113.440 -115.042 -PRO 20 3.800 117.519 -146.713 1.345 97.818 -108.905 -SER 21 3.800 77.380 -109.814 1.150 125.397 -49.904 -D 22 3.800 115.264 60.136 0.000 0.000 0.000 - -Geometry of the virtual chain. - Res d Theta Gamma Dsc Alpha Beta -D 1 0.000 0.000 0.000 0.000 0.000 0.000 -ASN 2 3.800 0.000 0.000 1.684 142.066 -33.247 -LEU 3 3.800 96.338 0.000 1.939 152.797 -33.655 -TYR 4 3.800 102.610 175.862 2.484 87.797 -90.459 -ILE 5 3.800 133.974 -127.811 1.776 135.058 -86.937 -GLN 6 3.800 93.776 -114.413 2.240 152.893 24.357 -TRP 7 3.800 139.964 130.676 2.605 103.381 -77.261 -LEU 8 3.800 126.439 20.728 1.939 139.448 -99.578 -LYS 9 3.800 147.230 21.555 2.541 133.099 -136.532 -ASP 10 3.800 144.908 -154.136 1.709 155.260 -3.333 -GLY 11 3.800 130.433 -74.830 0.000 0.000 0.000 -GLY 12 3.800 114.561 99.193 0.000 0.000 0.000 -PRO 13 3.800 93.959 173.623 1.345 111.516 -113.849 -SER 14 3.800 105.243 -85.533 1.150 150.833 -91.728 -SER 15 3.800 92.718 -105.241 1.150 107.922 -69.270 -GLY 16 3.800 110.016 -117.908 0.000 0.000 0.000 -ARG 17 3.800 123.574 32.015 3.020 134.969 79.216 -PRO 18 3.800 155.517 149.362 1.345 128.417 -140.353 -PRO 19 3.800 132.351 114.810 1.345 126.967 -147.681 -PRO 20 3.800 138.361 137.483 1.345 91.047 -99.854 -SER 21 3.800 91.524 39.246 1.150 132.558 -154.311 -D 22 3.800 97.806 -102.107 0.000 0.000 0.000 - -Geometry of the virtual chain. - Res d Theta Gamma Dsc Alpha Beta -D 1 0.000 0.000 0.000 0.000 0.000 0.000 -ASN 2 3.800 0.000 0.000 1.684 148.752 -136.071 -LEU 3 3.800 79.677 0.000 1.939 160.476 156.823 -TYR 4 3.800 80.712 92.515 2.484 141.568 -166.716 -ILE 5 3.800 112.100 -165.140 1.776 149.535 -81.407 -GLN 6 3.800 90.609 0.588 2.240 131.739 -148.983 -TRP 7 3.800 106.731 63.164 2.605 135.409 -166.314 -LEU 8 3.800 135.456 -21.319 1.939 42.703 81.190 -LYS 9 3.800 171.000 -100.215 2.541 126.816 -131.266 -ASP 10 3.800 103.382 45.346 1.709 111.645 -90.036 -GLY 11 3.800 156.626 -170.063 0.000 0.000 0.000 -GLY 12 3.800 142.246 62.235 0.000 0.000 0.000 -PRO 13 3.800 106.483 111.693 1.345 110.439 -111.046 -SER 14 3.800 92.045 -72.159 1.150 82.927 -52.805 -SER 15 3.800 144.053 -67.971 1.150 164.068 -64.148 -GLY 16 3.800 89.206 -176.298 0.000 0.000 0.000 -ARG 17 3.800 140.592 166.765 3.020 167.516 4.500 -PRO 18 3.800 107.266 120.119 1.345 113.862 -107.863 -PRO 19 3.800 112.883 -121.345 1.345 126.414 -153.684 -PRO 20 3.800 139.623 -158.091 1.345 120.473 -122.282 -SER 21 3.800 111.913 -176.042 1.150 129.009 -134.107 -D 22 3.800 124.889 -44.698 0.000 0.000 0.000 - -Geometry of the virtual chain. - Res d Theta Gamma Dsc Alpha Beta -D 1 0.000 0.000 0.000 0.000 0.000 0.000 -ASN 2 3.800 0.000 0.000 1.684 144.346 -130.591 -LEU 3 3.800 102.654 0.000 1.939 152.247 -116.130 -TYR 4 3.800 124.145 104.120 2.484 125.194 -18.289 -ILE 5 3.800 121.735 139.868 1.776 163.517 -161.366 -GLN 6 3.800 118.378 -125.862 2.240 146.963 -176.775 -TRP 7 3.800 91.852 -177.016 2.605 143.041 151.173 -LEU 8 3.800 114.981 -110.602 1.939 151.227 -55.645 -LYS 9 3.800 108.154 61.747 2.541 157.669 46.847 -ASP 10 3.800 114.697 -21.838 1.709 98.041 -78.985 -GLY 11 3.800 103.341 -47.273 0.000 0.000 0.000 -GLY 12 3.800 126.145 174.213 0.000 0.000 0.000 -PRO 13 3.800 123.474 87.163 1.345 110.027 -122.744 -SER 14 3.800 110.266 14.854 1.150 110.619 -79.998 -SER 15 3.800 81.346 -70.666 1.150 106.023 -69.730 -GLY 16 3.800 109.723 -4.179 0.000 0.000 0.000 -ARG 17 3.800 120.708 -20.483 3.020 162.733 169.943 -PRO 18 3.800 147.016 -22.480 1.345 131.362 -140.783 -PRO 19 3.800 129.963 17.918 1.345 117.814 -116.548 -PRO 20 3.800 103.205 61.499 1.345 125.190 -143.054 -SER 21 3.800 134.042 -127.479 1.150 139.399 -39.740 -D 22 3.800 118.151 -71.426 0.000 0.000 0.000 - -Geometry of the virtual chain. - Res d Theta Gamma Dsc Alpha Beta -D 1 0.000 0.000 0.000 0.000 0.000 0.000 -ASN 2 3.800 0.000 0.000 1.684 153.311 -57.710 -LEU 3 3.800 85.118 0.000 1.939 151.980 -111.364 -TYR 4 3.800 108.756 87.060 2.484 159.078 177.300 -ILE 5 3.800 127.543 -123.515 1.776 170.389 137.805 -GLN 6 3.800 138.232 1.736 2.240 174.755 146.068 -TRP 7 3.800 122.346 20.030 2.605 152.637 31.040 -LEU 8 3.800 111.810 -1.370 1.939 132.948 -71.543 -LYS 9 3.800 140.879 165.551 2.541 115.338 -130.679 -ASP 10 3.800 159.685 68.838 1.709 135.770 -133.778 -GLY 11 3.800 84.724 106.158 0.000 0.000 0.000 -GLY 12 3.800 122.162 90.762 0.000 0.000 0.000 -PRO 13 3.800 136.958 -104.688 1.345 95.753 -114.908 -SER 14 3.800 86.343 -127.254 1.150 140.726 -73.636 -SER 15 3.800 121.331 102.887 1.150 94.468 -75.482 -GLY 16 3.800 130.734 -58.458 0.000 0.000 0.000 -ARG 17 3.800 139.777 -116.487 3.020 126.184 -60.436 -PRO 18 3.800 69.479 -22.892 1.345 111.459 -111.820 -PRO 19 3.800 124.082 -158.732 1.345 117.553 -111.403 -PRO 20 3.800 116.559 178.950 1.345 163.333 28.435 -SER 21 3.800 171.000 -174.508 1.150 81.319 -54.563 -D 22 3.800 161.878 -27.959 0.000 0.000 0.000 - -Geometry of the virtual chain. - Res d Theta Gamma Dsc Alpha Beta -D 1 0.000 0.000 0.000 0.000 0.000 0.000 -ASN 2 3.800 0.000 0.000 1.684 138.645 -37.743 -LEU 3 3.800 140.415 0.000 1.939 149.476 -22.140 -TYR 4 3.800 85.822 -118.342 2.484 135.257 -142.191 -ILE 5 3.800 148.739 -72.507 1.776 140.856 -84.645 -GLN 6 3.800 103.730 -86.961 2.240 155.995 -80.334 -TRP 7 3.800 143.307 8.516 2.605 147.761 155.254 -LEU 8 3.800 93.288 -118.230 1.939 137.090 -80.161 -LYS 9 3.800 121.120 77.216 2.541 164.729 -122.899 -ASP 10 3.800 72.085 31.765 1.709 121.684 -127.296 -GLY 11 3.800 99.141 111.732 0.000 0.000 0.000 -GLY 12 3.800 130.077 130.038 0.000 0.000 0.000 -PRO 13 3.800 91.520 25.845 1.345 119.103 -154.545 -SER 14 3.800 149.297 -87.715 1.150 104.595 -66.970 -SER 15 3.800 97.812 -29.245 1.150 82.493 -54.396 -GLY 16 3.800 145.189 166.121 0.000 0.000 0.000 -ARG 17 3.800 98.623 -164.555 3.020 120.855 -135.585 -PRO 18 3.800 93.305 155.267 1.345 117.478 -131.326 -PRO 19 3.800 123.510 88.765 1.345 108.941 -107.546 -PRO 20 3.800 108.894 152.491 1.345 100.702 -92.475 -SER 21 3.800 85.723 -112.165 1.150 150.578 -96.895 -D 22 3.800 91.790 128.640 0.000 0.000 0.000 - -Geometry of the virtual chain. - Res d Theta Gamma Dsc Alpha Beta -D 1 0.000 0.000 0.000 0.000 0.000 0.000 -ASN 2 3.800 0.000 0.000 1.684 147.964 -97.071 -LEU 3 3.800 122.710 0.000 1.939 120.309 -58.959 -TYR 4 3.800 153.486 3.899 2.484 136.041 -24.078 -ILE 5 3.800 99.194 -37.776 1.776 155.437 -90.131 -GLN 6 3.800 131.610 -121.101 2.240 116.803 -68.417 -TRP 7 3.800 93.793 115.603 2.605 137.230 -21.758 -LEU 8 3.800 119.147 -83.969 1.939 156.627 -6.583 -LYS 9 3.800 87.645 157.294 2.541 157.153 -16.733 -ASP 10 3.800 119.587 -92.327 1.709 123.095 -126.505 -GLY 11 3.800 96.799 -156.589 0.000 0.000 0.000 -GLY 12 3.800 103.125 118.974 0.000 0.000 0.000 -PRO 13 3.800 112.681 -36.307 1.345 123.301 -122.586 -SER 14 3.800 113.071 65.026 1.150 147.205 -61.276 -SER 15 3.800 87.320 7.943 1.150 110.591 -28.063 -GLY 16 3.800 132.439 2.759 0.000 0.000 0.000 -ARG 17 3.800 148.790 -74.987 3.020 114.679 -148.741 -PRO 18 3.800 118.089 89.184 1.345 116.241 -109.874 -PRO 19 3.800 112.095 131.973 1.345 145.299 144.835 -PRO 20 3.800 159.981 -150.305 1.345 94.506 -132.312 -SER 21 3.800 87.855 -26.299 1.150 152.482 -115.842 -D 22 3.800 113.370 -91.198 0.000 0.000 0.000 - -Geometry of the virtual chain. - Res d Theta Gamma Dsc Alpha Beta -D 1 0.000 0.000 0.000 0.000 0.000 0.000 -ASN 2 3.800 0.000 0.000 1.684 155.889 -38.687 -LEU 3 3.800 117.735 0.000 1.939 165.720 -136.329 -TYR 4 3.800 112.590 152.289 2.484 148.303 -2.711 -ILE 5 3.800 94.499 176.444 1.776 173.637 -157.502 -GLN 6 3.800 115.558 104.626 2.240 153.183 -48.805 -TRP 7 3.800 115.259 50.125 2.605 149.701 -166.839 -LEU 8 3.800 120.775 126.377 1.939 158.177 -135.438 -LYS 9 3.800 125.330 66.302 2.541 142.017 -16.684 -ASP 10 3.800 122.869 102.832 1.709 148.269 18.075 -GLY 11 3.800 105.732 -94.773 0.000 0.000 0.000 -GLY 12 3.800 99.859 -151.145 0.000 0.000 0.000 -PRO 13 3.800 86.241 51.274 1.345 130.218 -157.524 -SER 14 3.800 143.273 106.647 1.150 139.478 -104.256 -SER 15 3.800 121.575 -79.373 1.150 152.810 -17.635 -GLY 16 3.800 82.936 48.545 0.000 0.000 0.000 -ARG 17 3.800 104.590 -118.211 3.020 115.806 -85.527 -PRO 18 3.800 147.990 -71.460 1.345 94.450 -108.767 -PRO 19 3.800 89.129 -24.769 1.345 121.279 -118.015 -PRO 20 3.800 108.033 2.415 1.345 124.939 -151.391 -SER 21 3.800 140.804 -46.673 1.150 114.172 -68.662 -D 22 3.800 90.363 -11.033 0.000 0.000 0.000 - -Geometry of the virtual chain. - Res d Theta Gamma Dsc Alpha Beta -D 1 0.000 0.000 0.000 0.000 0.000 0.000 -ASN 2 3.800 0.000 0.000 1.684 145.675 -153.936 -LEU 3 3.800 91.643 0.000 1.939 150.792 -86.360 -TYR 4 3.800 91.222 146.575 2.484 148.467 -12.737 -ILE 5 3.800 97.164 -112.862 1.776 133.477 -105.387 -GLN 6 3.800 102.160 -166.711 2.240 145.152 -116.654 -TRP 7 3.800 97.894 -130.442 2.605 96.899 -83.495 -LEU 8 3.800 136.423 152.900 1.939 145.453 -129.314 -LYS 9 3.800 91.803 -65.954 2.541 163.351 -41.368 -ASP 10 3.800 102.466 -103.944 1.709 136.544 -130.824 -GLY 11 3.800 80.324 -119.647 0.000 0.000 0.000 -GLY 12 3.800 142.906 39.421 0.000 0.000 0.000 -PRO 13 3.800 88.264 80.482 1.345 94.332 -119.162 -SER 14 3.800 93.361 -152.101 1.150 152.163 -90.570 -SER 15 3.800 96.947 -22.148 1.150 114.015 -39.382 -GLY 16 3.800 122.408 79.678 0.000 0.000 0.000 -ARG 17 3.800 110.128 110.573 3.020 171.167 -54.120 -PRO 18 3.800 119.987 90.815 1.345 93.447 -88.880 -PRO 19 3.800 92.115 -125.558 1.345 116.237 -118.475 -PRO 20 3.800 105.786 144.137 1.345 118.627 -128.571 -SER 21 3.800 122.681 149.897 1.150 93.783 -65.204 -D 22 3.800 131.417 110.030 0.000 0.000 0.000 - -Geometry of the virtual chain. - Res d Theta Gamma Dsc Alpha Beta -D 1 0.000 0.000 0.000 0.000 0.000 0.000 -ASN 2 3.800 0.000 0.000 1.684 104.588 -81.905 -LEU 3 3.800 152.517 0.000 1.939 140.539 152.339 -TYR 4 3.800 104.068 -99.673 2.484 143.809 -170.113 -ILE 5 3.800 117.143 -126.417 1.776 151.180 -107.530 -GLN 6 3.800 91.548 11.787 2.240 146.701 -128.617 -TRP 7 3.800 106.477 -175.227 2.605 109.730 -94.983 -LEU 8 3.800 142.734 -15.132 1.939 158.376 -29.017 -LYS 9 3.800 95.476 173.220 2.541 146.194 -119.166 -ASP 10 3.800 133.961 78.544 1.709 141.762 -167.882 -GLY 11 3.800 94.336 -55.299 0.000 0.000 0.000 -GLY 12 3.800 143.078 -76.027 0.000 0.000 0.000 -PRO 13 3.800 117.851 -70.078 1.345 127.381 -136.966 -SER 14 3.800 125.666 -173.470 1.150 138.419 -11.572 -SER 15 3.800 93.602 -53.696 1.150 95.849 -64.421 -GLY 16 3.800 114.143 -107.470 0.000 0.000 0.000 -ARG 17 3.800 129.513 -68.521 3.020 150.732 -90.349 -PRO 18 3.800 96.268 174.399 1.345 135.643 156.002 -PRO 19 3.800 159.805 124.727 1.345 121.755 -137.785 -PRO 20 3.800 118.443 -77.636 1.345 129.646 -164.537 -SER 21 3.800 149.299 -53.107 1.150 77.249 -66.954 -D 22 3.800 158.166 20.754 0.000 0.000 0.000 - -Geometry of the virtual chain. - Res d Theta Gamma Dsc Alpha Beta -D 1 0.000 0.000 0.000 0.000 0.000 0.000 -ASN 2 3.800 0.000 0.000 1.684 114.887 -84.109 -LEU 3 3.800 94.301 0.000 1.939 156.131 -18.046 -TYR 4 3.800 101.485 -137.550 2.484 148.403 165.659 -ILE 5 3.800 120.552 -37.441 1.776 147.784 -85.718 -GLN 6 3.800 110.218 -33.652 2.240 160.153 -105.204 -TRP 7 3.800 142.580 13.953 2.605 138.307 -25.655 -LEU 8 3.800 141.335 16.422 1.939 128.322 -77.929 -LYS 9 3.800 129.894 78.034 2.541 154.824 -57.184 -ASP 10 3.800 90.737 72.253 1.709 113.732 -76.040 -GLY 11 3.800 118.128 -53.063 0.000 0.000 0.000 -GLY 12 3.800 140.516 74.401 0.000 0.000 0.000 -PRO 13 3.800 100.206 114.678 1.345 122.472 -152.150 -SER 14 3.800 148.338 97.244 1.150 146.981 -89.321 -SER 15 3.800 123.870 8.128 1.150 131.430 -110.605 -GLY 16 3.800 102.056 -96.526 0.000 0.000 0.000 -ARG 17 3.800 162.927 -118.557 3.020 158.661 162.609 -PRO 18 3.800 113.055 -173.709 1.345 127.318 -126.080 -PRO 19 3.800 112.017 -121.023 1.345 121.597 -135.008 -PRO 20 3.800 123.355 55.097 1.345 84.813 -114.322 -SER 21 3.800 94.822 -166.660 1.150 109.732 -64.643 -D 22 3.800 108.387 -61.655 0.000 0.000 0.000 - -Geometry of the virtual chain. - Res d Theta Gamma Dsc Alpha Beta -D 1 0.000 0.000 0.000 0.000 0.000 0.000 -ASN 2 3.800 0.000 0.000 1.684 109.028 -81.305 -LEU 3 3.800 138.524 0.000 1.939 159.946 -134.361 -TYR 4 3.800 136.592 76.904 2.484 131.659 -2.100 -ILE 5 3.800 104.571 -100.056 1.776 175.592 -127.187 -GLN 6 3.800 136.287 141.187 2.240 140.912 -133.230 -TRP 7 3.800 133.953 -163.708 2.605 152.842 134.687 -LEU 8 3.800 104.898 -157.854 1.939 156.745 -135.791 -LYS 9 3.800 89.953 28.688 2.541 153.597 -158.036 -ASP 10 3.800 95.080 -7.783 1.709 136.679 -98.693 -GLY 11 3.800 105.267 136.958 0.000 0.000 0.000 -GLY 12 3.800 119.219 95.088 0.000 0.000 0.000 -PRO 13 3.800 138.900 118.751 1.345 120.255 -126.077 -SER 14 3.800 129.594 -39.256 1.150 92.713 -54.408 -SER 15 3.800 95.552 -141.190 1.150 154.940 -80.541 -GLY 16 3.800 100.220 109.979 0.000 0.000 0.000 -ARG 17 3.800 134.043 -93.332 3.020 166.985 -92.269 -PRO 18 3.800 91.786 -165.850 1.345 125.626 -124.457 -PRO 19 3.800 111.468 140.440 1.345 112.613 -108.243 -PRO 20 3.800 113.516 125.357 1.345 123.459 -179.809 -SER 21 3.800 156.850 -178.745 1.150 87.124 -55.574 -D 22 3.800 150.192 -173.940 0.000 0.000 0.000 - -Geometry of the virtual chain. - Res d Theta Gamma Dsc Alpha Beta -D 1 0.000 0.000 0.000 0.000 0.000 0.000 -ASN 2 3.800 0.000 0.000 1.684 125.370 -87.365 -LEU 3 3.800 100.512 0.000 1.939 161.813 169.085 -TYR 4 3.800 92.879 -58.787 2.484 145.590 -168.525 -ILE 5 3.800 115.650 32.083 1.776 172.940 -176.849 -GLN 6 3.800 118.196 -143.415 2.240 147.453 159.578 -TRP 7 3.800 139.308 -19.975 2.605 140.549 -137.663 -LEU 8 3.800 124.980 -42.518 1.939 152.043 -38.169 -LYS 9 3.800 98.266 -112.438 2.541 157.134 -96.995 -ASP 10 3.800 146.162 -164.011 1.709 148.079 -159.458 -GLY 11 3.800 91.248 134.212 0.000 0.000 0.000 -GLY 12 3.800 110.291 7.322 0.000 0.000 0.000 -PRO 13 3.800 145.244 -161.151 1.345 125.703 -123.598 -SER 14 3.800 109.014 1.934 1.150 145.223 -82.911 -SER 15 3.800 138.129 -23.264 1.150 131.695 -103.012 -GLY 16 3.800 141.655 -29.773 0.000 0.000 0.000 -ARG 17 3.800 103.244 -95.899 3.020 143.204 -75.176 -PRO 18 3.800 79.124 82.876 1.345 101.163 -116.602 -PRO 19 3.800 88.209 172.483 1.345 109.274 -108.030 -PRO 20 3.800 102.624 -56.636 1.345 119.965 -156.912 -SER 21 3.800 145.866 -179.653 1.150 86.591 -61.266 -D 22 3.800 148.414 -118.793 0.000 0.000 0.000 - -Geometry of the virtual chain. - Res d Theta Gamma Dsc Alpha Beta -D 1 0.000 0.000 0.000 0.000 0.000 0.000 -ASN 2 3.800 0.000 0.000 1.684 137.804 -16.447 -LEU 3 3.800 101.633 0.000 1.939 145.200 -79.306 -TYR 4 3.800 102.707 84.327 2.484 144.071 170.840 -ILE 5 3.800 119.635 -62.189 1.776 164.175 -107.510 -GLN 6 3.800 96.870 -91.844 2.240 141.259 15.519 -TRP 7 3.800 127.113 -27.651 2.605 106.136 -66.220 -LEU 8 3.800 145.097 -111.481 1.939 137.813 -48.099 -LYS 9 3.800 122.025 -3.405 2.541 149.254 -78.861 -ASP 10 3.800 113.385 53.137 1.709 155.613 -30.191 -GLY 11 3.800 92.890 -127.490 0.000 0.000 0.000 -GLY 12 3.800 130.046 82.255 0.000 0.000 0.000 -PRO 13 3.800 120.153 125.364 1.345 106.083 -96.501 -SER 14 3.800 87.214 -119.458 1.150 155.238 -95.606 -SER 15 3.800 94.198 106.321 1.150 132.068 -122.334 -GLY 16 3.800 145.387 173.411 0.000 0.000 0.000 -ARG 17 3.800 143.446 60.427 3.020 115.753 -86.727 -PRO 18 3.800 91.635 -32.141 1.345 121.735 -131.446 -PRO 19 3.800 119.230 -162.772 1.345 104.379 -111.618 -PRO 20 3.800 81.896 -53.395 1.345 143.008 124.615 -SER 21 3.800 165.014 -21.845 1.150 150.508 -131.940 -D 22 3.800 86.558 29.500 0.000 0.000 0.000 - -Geometry of the virtual chain. - Res d Theta Gamma Dsc Alpha Beta -D 1 0.000 0.000 0.000 0.000 0.000 0.000 -ASN 2 3.800 0.000 0.000 1.684 157.029 5.400 -LEU 3 3.800 135.599 0.000 1.939 140.745 -43.019 -TYR 4 3.800 92.463 -42.437 2.484 146.846 176.967 -ILE 5 3.800 132.929 -82.379 1.776 138.701 -96.197 -GLN 6 3.800 150.151 -159.376 2.240 136.493 -88.407 -TRP 7 3.800 86.404 165.892 2.605 146.214 -146.427 -LEU 8 3.800 118.847 24.527 1.939 149.623 -129.618 -LYS 9 3.800 106.504 -147.513 2.541 168.034 -95.089 -ASP 10 3.800 83.243 -91.267 1.709 125.506 -72.024 -GLY 11 3.800 113.916 81.633 0.000 0.000 0.000 -GLY 12 3.800 134.219 13.315 0.000 0.000 0.000 -PRO 13 3.800 92.589 152.006 1.345 115.610 -118.817 -SER 14 3.800 116.832 30.088 1.150 156.582 7.281 -SER 15 3.800 94.220 -100.508 1.150 90.832 -58.967 -GLY 16 3.800 100.291 -47.178 0.000 0.000 0.000 -ARG 17 3.800 126.850 -167.300 3.020 143.621 -78.703 -PRO 18 3.800 76.203 -169.130 1.345 121.382 -113.329 -PRO 19 3.800 106.486 8.252 1.345 120.997 -121.683 -PRO 20 3.800 107.962 -63.151 1.345 120.055 -122.906 -SER 21 3.800 119.837 -144.839 1.150 99.784 -63.923 -D 22 3.800 87.044 -82.214 0.000 0.000 0.000 - -Geometry of the virtual chain. - Res d Theta Gamma Dsc Alpha Beta -D 1 0.000 0.000 0.000 0.000 0.000 0.000 -ASN 2 3.800 0.000 0.000 1.684 131.765 -139.650 -LEU 3 3.800 124.247 0.000 1.939 154.412 -105.530 -TYR 4 3.800 98.028 -18.850 2.484 110.445 -77.484 -ILE 5 3.800 148.506 -93.263 1.776 135.373 -91.892 -GLN 6 3.800 157.484 -144.774 2.240 148.605 130.461 -TRP 7 3.800 133.981 -150.290 2.605 95.641 -92.128 -LEU 8 3.800 158.513 -125.050 1.939 145.163 -117.902 -LYS 9 3.800 134.137 -100.328 2.541 164.118 -144.760 -ASP 10 3.800 102.657 128.516 1.709 122.695 -106.362 -GLY 11 3.800 102.636 -30.741 0.000 0.000 0.000 -GLY 12 3.800 113.616 112.416 0.000 0.000 0.000 -PRO 13 3.800 137.135 -21.711 1.345 132.918 -142.389 -SER 14 3.800 114.755 83.494 1.150 155.202 -26.968 -SER 15 3.800 102.204 -178.799 1.150 128.788 -65.146 -GLY 16 3.800 131.842 37.921 0.000 0.000 0.000 -ARG 17 3.800 130.003 -138.188 3.020 163.461 -134.680 -PRO 18 3.800 92.619 -74.925 1.345 119.550 -140.982 -PRO 19 3.800 135.215 93.745 1.345 116.148 -120.330 -PRO 20 3.800 123.134 -8.425 1.345 139.373 166.326 -SER 21 3.800 157.486 84.081 1.150 68.383 -52.754 -D 22 3.800 162.479 157.958 0.000 0.000 0.000 - -Geometry of the virtual chain. - Res d Theta Gamma Dsc Alpha Beta -D 1 0.000 0.000 0.000 0.000 0.000 0.000 -ASN 2 3.800 0.000 0.000 1.684 163.458 -39.367 -LEU 3 3.800 108.597 0.000 1.939 145.886 -124.183 -TYR 4 3.800 83.217 -49.260 2.484 131.097 -9.280 -ILE 5 3.800 115.339 -86.137 1.776 139.364 -84.139 -GLN 6 3.800 153.055 -73.015 2.240 120.213 -69.110 -TRP 7 3.800 92.999 -21.308 2.605 88.349 -83.917 -LEU 8 3.800 145.218 99.236 1.939 122.472 -111.560 -LYS 9 3.800 150.503 26.027 2.541 147.589 -131.153 -ASP 10 3.800 132.309 -5.903 1.709 155.762 -3.660 -GLY 11 3.800 117.426 169.913 0.000 0.000 0.000 -GLY 12 3.800 144.344 -2.640 0.000 0.000 0.000 -PRO 13 3.800 124.876 -73.070 1.345 126.740 -157.353 -SER 14 3.800 142.592 -176.885 1.150 161.716 -99.857 -SER 15 3.800 102.001 -51.552 1.150 103.923 -70.105 -GLY 16 3.800 92.053 -135.514 0.000 0.000 0.000 -ARG 17 3.800 140.882 66.535 3.020 136.736 -80.825 -PRO 18 3.800 139.067 155.207 1.345 119.598 -119.220 -PRO 19 3.800 101.680 28.764 1.345 96.049 -105.736 -PRO 20 3.800 94.733 -133.738 1.345 89.990 -110.432 -SER 21 3.800 90.616 167.597 1.150 104.724 -60.587 -D 22 3.800 126.362 -76.662 0.000 0.000 0.000 - -Geometry of the virtual chain. - Res d Theta Gamma Dsc Alpha Beta -D 1 0.000 0.000 0.000 0.000 0.000 0.000 -ASN 2 3.800 0.000 0.000 1.684 161.486 -32.175 -LEU 3 3.800 98.799 0.000 1.939 156.318 -116.839 -TYR 4 3.800 117.793 168.972 2.484 126.455 -153.593 -ILE 5 3.800 131.606 65.383 1.776 141.258 -97.280 -GLN 6 3.800 105.122 -122.564 2.240 131.123 -92.906 -TRP 7 3.800 90.267 153.875 2.605 110.397 -135.375 -LEU 8 3.800 122.059 -25.277 1.939 143.889 -52.658 -LYS 9 3.800 117.676 130.047 2.541 151.788 -120.786 -ASP 10 3.800 95.642 64.705 1.709 125.873 -106.485 -GLY 11 3.800 115.435 -42.207 0.000 0.000 0.000 -GLY 12 3.800 121.513 -66.729 0.000 0.000 0.000 -PRO 13 3.800 119.193 -10.288 1.345 103.765 -116.632 -SER 14 3.800 82.260 164.019 1.150 90.096 -55.745 -SER 15 3.800 146.463 -91.361 1.150 131.133 -150.624 -GLY 16 3.800 147.638 -125.964 0.000 0.000 0.000 -ARG 17 3.800 126.034 118.143 3.020 155.449 -18.212 -PRO 18 3.800 109.645 -154.534 1.345 125.672 -146.526 -PRO 19 3.800 136.535 44.702 1.345 124.548 -147.289 -PRO 20 3.800 145.713 -9.791 1.345 120.736 -120.165 -SER 21 3.800 105.526 67.184 1.150 122.822 -64.030 -D 22 3.800 120.777 136.624 0.000 0.000 0.000 - -Geometry of the virtual chain. - Res d Theta Gamma Dsc Alpha Beta -D 1 0.000 0.000 0.000 0.000 0.000 0.000 -ASN 2 3.800 0.000 0.000 1.684 153.188 -161.251 -LEU 3 3.800 89.227 0.000 1.939 149.681 -168.619 -TYR 4 3.800 82.164 20.701 2.484 147.370 -3.246 -ILE 5 3.800 107.337 144.897 1.776 160.337 -25.712 -GLN 6 3.800 118.853 -101.490 2.240 116.003 -96.341 -TRP 7 3.800 101.657 -73.229 2.605 150.285 -141.999 -LEU 8 3.800 117.303 83.787 1.939 137.038 -109.685 -LYS 9 3.800 95.677 159.424 2.541 159.051 -108.440 -ASP 10 3.800 109.950 65.105 1.709 153.590 -15.969 -GLY 11 3.800 97.104 156.502 0.000 0.000 0.000 -GLY 12 3.800 82.145 -78.290 0.000 0.000 0.000 -PRO 13 3.800 116.197 -145.956 1.345 91.605 -82.434 -SER 14 3.800 72.816 75.061 1.150 114.195 -58.337 -SER 15 3.800 130.810 22.878 1.150 153.439 -86.942 -GLY 16 3.800 119.345 -123.097 0.000 0.000 0.000 -ARG 17 3.800 135.032 -37.388 3.020 148.745 -122.075 -PRO 18 3.800 99.191 -18.661 1.345 101.043 -124.264 -PRO 19 3.800 101.926 -61.416 1.345 116.617 -130.257 -PRO 20 3.800 122.323 -15.991 1.345 104.260 -110.856 -SER 21 3.800 91.905 -94.207 1.150 87.913 -57.691 -D 22 3.800 94.779 -134.273 0.000 0.000 0.000 - -Geometry of the virtual chain. - Res d Theta Gamma Dsc Alpha Beta -D 1 0.000 0.000 0.000 0.000 0.000 0.000 -ASN 2 3.800 0.000 0.000 1.684 129.981 -134.897 -LEU 3 3.800 107.038 0.000 1.939 151.597 -28.687 -TYR 4 3.800 101.591 -134.953 2.484 156.026 -177.772 -ILE 5 3.800 126.815 126.643 1.776 168.260 -53.420 -GLN 6 3.800 110.073 135.434 2.240 108.577 -115.190 -TRP 7 3.800 86.029 -66.797 2.605 163.911 7.380 -LEU 8 3.800 103.984 126.566 1.939 162.221 -159.309 -LYS 9 3.800 123.707 57.419 2.541 170.917 -144.235 -ASP 10 3.800 125.839 -55.090 1.709 136.069 -122.408 -GLY 11 3.800 93.630 -109.627 0.000 0.000 0.000 -GLY 12 3.800 98.125 -174.074 0.000 0.000 0.000 -PRO 13 3.800 119.327 56.921 1.345 108.561 -103.552 -SER 14 3.800 93.392 141.160 1.150 144.558 -62.678 -SER 15 3.800 124.699 -32.735 1.150 125.720 -135.206 -GLY 16 3.800 110.899 -142.322 0.000 0.000 0.000 -ARG 17 3.800 122.041 -175.345 3.020 126.650 -43.136 -PRO 18 3.800 141.546 122.428 1.345 122.276 -147.907 -PRO 19 3.800 141.820 -17.938 1.345 102.959 -113.642 -PRO 20 3.800 99.408 -99.619 1.345 130.258 -133.389 -SER 21 3.800 109.624 -155.495 1.150 111.664 -96.509 -D 22 3.800 122.512 -9.693 0.000 0.000 0.000 - -Geometry of the virtual chain. - Res d Theta Gamma Dsc Alpha Beta -D 1 0.000 0.000 0.000 0.000 0.000 0.000 -ASN 2 3.800 0.000 0.000 1.684 143.901 -120.384 -LEU 3 3.800 105.258 0.000 1.939 141.996 -105.182 -TYR 4 3.800 95.403 -151.355 2.484 148.309 -172.467 -ILE 5 3.800 118.887 10.619 1.776 135.527 -74.053 -GLN 6 3.800 146.031 -12.716 2.240 128.378 -123.926 -TRP 7 3.800 99.788 80.864 2.605 163.006 -149.738 -LEU 8 3.800 125.407 82.651 1.939 139.504 -75.891 -LYS 9 3.800 132.573 169.934 2.541 167.812 -53.964 -ASP 10 3.800 143.950 76.129 1.709 128.404 -134.764 -GLY 11 3.800 88.541 -103.102 0.000 0.000 0.000 -GLY 12 3.800 129.440 -121.837 0.000 0.000 0.000 -PRO 13 3.800 107.706 -173.175 1.345 98.624 -134.857 -SER 14 3.800 98.413 9.427 1.150 144.818 -168.102 -SER 15 3.800 100.468 -157.013 1.150 119.545 -35.810 -GLY 16 3.800 146.046 -151.499 0.000 0.000 0.000 -ARG 17 3.800 145.306 152.340 3.020 117.894 -93.599 -PRO 18 3.800 134.871 143.852 1.345 119.624 -130.609 -PRO 19 3.800 117.744 103.786 1.345 121.352 -139.122 -PRO 20 3.800 136.041 -59.748 1.345 100.369 -106.440 -SER 21 3.800 70.094 -168.887 1.150 89.870 -72.104 -D 22 3.800 89.210 -167.670 0.000 0.000 0.000 - -Geometry of the virtual chain. - Res d Theta Gamma Dsc Alpha Beta -D 1 0.000 0.000 0.000 0.000 0.000 0.000 -ASN 2 3.800 0.000 0.000 1.684 138.977 -160.173 -LEU 3 3.800 98.961 0.000 1.939 174.161 -172.125 -TYR 4 3.800 94.014 -91.081 2.484 134.335 -14.225 -ILE 5 3.800 111.578 -127.357 1.776 164.047 -125.068 -GLN 6 3.800 105.407 -20.495 2.240 155.138 -167.770 -TRP 7 3.800 116.021 -161.997 2.605 170.206 117.514 -LEU 8 3.800 110.704 35.870 1.939 160.384 -139.223 -LYS 9 3.800 96.196 55.175 2.541 147.394 -149.435 -ASP 10 3.800 87.888 -178.601 1.709 125.223 -79.546 -GLY 11 3.800 147.446 -11.688 0.000 0.000 0.000 -GLY 12 3.800 95.537 113.092 0.000 0.000 0.000 -PRO 13 3.800 140.311 -97.476 1.345 99.757 -120.987 -SER 14 3.800 106.068 -15.125 1.150 127.983 -56.850 -SER 15 3.800 105.782 117.296 1.150 93.863 -52.646 -GLY 16 3.800 148.321 -171.275 0.000 0.000 0.000 -ARG 17 3.800 88.428 -20.604 3.020 124.525 -29.430 -PRO 18 3.800 139.838 83.070 1.345 100.334 -77.492 -PRO 19 3.800 74.658 125.374 1.345 116.159 -124.357 -PRO 20 3.800 131.718 21.889 1.345 117.299 -121.762 -SER 21 3.800 120.982 -155.020 1.150 146.751 -136.086 -D 22 3.800 119.143 108.525 0.000 0.000 0.000 - -Geometry of the virtual chain. - Res d Theta Gamma Dsc Alpha Beta -D 1 0.000 0.000 0.000 0.000 0.000 0.000 -ASN 2 3.800 0.000 0.000 1.684 139.084 -105.912 -LEU 3 3.800 114.388 0.000 1.939 168.350 -2.035 -TYR 4 3.800 97.033 -18.675 2.484 132.830 -5.281 -ILE 5 3.800 82.616 -110.158 1.776 177.305 -176.824 -GLN 6 3.800 132.539 -161.988 2.240 155.890 -148.658 -TRP 7 3.800 137.378 -63.399 2.605 145.185 170.954 -LEU 8 3.800 102.290 32.641 1.939 139.131 -109.354 -LYS 9 3.800 142.596 -64.923 2.541 138.795 -18.436 -ASP 10 3.800 142.033 19.454 1.709 135.426 -128.992 -GLY 11 3.800 97.698 29.075 0.000 0.000 0.000 -GLY 12 3.800 86.389 103.272 0.000 0.000 0.000 -PRO 13 3.800 125.316 173.642 1.345 108.004 -113.922 -SER 14 3.800 124.811 90.417 1.150 129.137 -36.044 -SER 15 3.800 101.165 39.839 1.150 98.746 -70.684 -GLY 16 3.800 89.972 134.440 0.000 0.000 0.000 -ARG 17 3.800 120.397 -17.407 3.020 143.688 -98.076 -PRO 18 3.800 127.749 31.951 1.345 132.451 -178.264 -PRO 19 3.800 153.810 -172.424 1.345 122.274 -122.263 -PRO 20 3.800 112.257 -85.784 1.345 118.282 -121.384 -SER 21 3.800 112.698 23.649 1.150 114.910 -59.433 -D 22 3.800 143.869 129.066 0.000 0.000 0.000 - -Geometry of the virtual chain. - Res d Theta Gamma Dsc Alpha Beta -D 1 0.000 0.000 0.000 0.000 0.000 0.000 -ASN 2 3.800 0.000 0.000 1.684 118.093 -75.800 -LEU 3 3.800 110.722 0.000 1.939 153.943 -135.803 -TYR 4 3.800 101.950 120.388 2.484 159.934 165.479 -ILE 5 3.800 120.591 41.850 1.776 141.131 -74.935 -GLN 6 3.800 83.501 -2.743 2.240 145.200 159.094 -TRP 7 3.800 135.520 -158.514 2.605 150.474 29.711 -LEU 8 3.800 112.371 46.810 1.939 145.646 -153.200 -LYS 9 3.800 87.667 -50.973 2.541 158.752 -136.165 -ASP 10 3.800 110.313 121.330 1.709 139.380 -42.435 -GLY 11 3.800 126.224 -112.602 0.000 0.000 0.000 -GLY 12 3.800 138.754 18.469 0.000 0.000 0.000 -PRO 13 3.800 104.051 -74.590 1.345 151.651 120.011 -SER 14 3.800 164.276 149.413 1.150 138.848 -93.456 -SER 15 3.800 93.325 2.508 1.150 138.230 -78.284 -GLY 16 3.800 133.846 -42.611 0.000 0.000 0.000 -ARG 17 3.800 132.200 -153.805 3.020 152.147 -124.361 -PRO 18 3.800 104.850 -107.365 1.345 123.009 -130.831 -PRO 19 3.800 117.021 75.951 1.345 128.514 -123.130 -PRO 20 3.800 111.081 156.356 1.345 102.625 -94.363 -SER 21 3.800 90.499 -26.574 1.150 154.523 -152.622 -D 22 3.800 92.831 -114.120 0.000 0.000 0.000 - -Geometry of the virtual chain. - Res d Theta Gamma Dsc Alpha Beta -D 1 0.000 0.000 0.000 0.000 0.000 0.000 -ASN 2 3.800 0.000 0.000 1.684 125.520 -162.619 -LEU 3 3.800 111.971 0.000 1.939 144.103 -55.359 -TYR 4 3.800 86.471 97.903 2.484 142.412 168.676 -ILE 5 3.800 101.749 92.451 1.776 133.515 -63.367 -GLN 6 3.800 103.686 -64.342 2.240 168.410 -122.029 -TRP 7 3.800 125.122 103.375 2.605 81.195 -48.615 -LEU 8 3.800 159.791 -162.167 1.939 136.048 -118.168 -LYS 9 3.800 139.257 130.470 2.541 112.448 -22.621 -ASP 10 3.800 144.101 -0.728 1.709 148.738 -37.278 -GLY 11 3.800 130.424 21.238 0.000 0.000 0.000 -GLY 12 3.800 106.560 -176.314 0.000 0.000 0.000 -PRO 13 3.800 96.269 -34.167 1.345 121.201 -125.358 -SER 14 3.800 125.111 -113.768 1.150 114.781 -112.586 -SER 15 3.800 134.235 93.107 1.150 80.993 -65.908 -GLY 16 3.800 150.311 -74.409 0.000 0.000 0.000 -ARG 17 3.800 109.234 -25.504 3.020 140.729 -113.576 -PRO 18 3.800 124.407 55.326 1.345 121.726 -134.146 -PRO 19 3.800 124.828 109.439 1.345 118.282 -121.381 -PRO 20 3.800 112.985 11.457 1.345 98.970 -101.354 -SER 21 3.800 79.621 77.422 1.150 94.424 -61.828 -D 22 3.800 145.286 -32.509 0.000 0.000 0.000 - -Geometry of the virtual chain. - Res d Theta Gamma Dsc Alpha Beta -D 1 0.000 0.000 0.000 0.000 0.000 0.000 -ASN 2 3.800 0.000 0.000 1.684 159.965 -101.592 -LEU 3 3.800 99.254 0.000 1.939 124.452 -85.838 -TYR 4 3.800 102.745 -176.196 2.484 112.320 -87.224 -ILE 5 3.800 119.756 -104.627 1.776 159.584 -134.683 -GLN 6 3.800 118.992 -31.168 2.240 129.615 11.920 -TRP 7 3.800 144.027 -28.866 2.605 167.908 175.970 -LEU 8 3.800 112.871 -79.039 1.939 156.530 -25.269 -LYS 9 3.800 121.828 80.745 2.541 159.202 -72.603 -ASP 10 3.800 111.257 176.066 1.709 86.524 -90.217 -GLY 11 3.800 160.718 -169.009 0.000 0.000 0.000 -GLY 12 3.800 117.530 -60.979 0.000 0.000 0.000 -PRO 13 3.800 141.616 124.933 1.345 115.969 -128.590 -SER 14 3.800 129.317 12.659 1.150 161.687 -22.336 -SER 15 3.800 96.459 117.061 1.150 105.170 -71.248 -GLY 16 3.800 93.101 157.931 0.000 0.000 0.000 -ARG 17 3.800 132.608 54.264 3.020 128.439 -95.201 -PRO 18 3.800 95.799 -129.709 1.345 96.519 -79.773 -PRO 19 3.800 71.448 133.921 1.345 105.034 -94.406 -PRO 20 3.800 90.736 114.934 1.345 109.791 -97.801 -SER 21 3.800 110.580 -73.548 1.150 162.514 -97.965 -D 22 3.800 104.315 -168.719 0.000 0.000 0.000 - -Geometry of the virtual chain. - Res d Theta Gamma Dsc Alpha Beta -D 1 0.000 0.000 0.000 0.000 0.000 0.000 -ASN 2 3.800 0.000 0.000 1.684 136.324 -119.339 -LEU 3 3.800 110.396 0.000 1.939 127.409 -29.566 -TYR 4 3.800 143.741 -141.159 2.484 146.868 -9.677 -ILE 5 3.800 128.002 -158.704 1.776 139.522 -89.416 -GLN 6 3.800 81.076 -60.134 2.240 155.081 -156.350 -TRP 7 3.800 124.327 41.927 2.605 145.360 7.973 -LEU 8 3.800 116.782 -44.601 1.939 154.803 -32.337 -LYS 9 3.800 95.188 -134.023 2.541 128.740 -76.965 -ASP 10 3.800 155.971 -15.451 1.709 139.384 -96.490 -GLY 11 3.800 97.962 147.046 0.000 0.000 0.000 -GLY 12 3.800 122.030 87.183 0.000 0.000 0.000 -PRO 13 3.800 124.375 -88.409 1.345 116.086 -147.081 -SER 14 3.800 145.424 169.446 1.150 142.845 -68.285 -SER 15 3.800 105.862 -138.244 1.150 148.284 -47.032 -GLY 16 3.800 114.770 -4.832 0.000 0.000 0.000 -ARG 17 3.800 110.139 -116.871 3.020 132.139 122.616 -PRO 18 3.800 88.439 -104.469 1.345 124.330 -155.241 -PRO 19 3.800 146.484 -103.116 1.345 122.939 -148.476 -PRO 20 3.800 127.390 146.308 1.345 98.523 -92.456 -SER 21 3.800 90.419 153.494 1.150 106.529 -58.173 -D 22 3.800 135.449 -59.992 0.000 0.000 0.000 - -Geometry of the virtual chain. - Res d Theta Gamma Dsc Alpha Beta -D 1 0.000 0.000 0.000 0.000 0.000 0.000 -ASN 2 3.800 0.000 0.000 1.684 123.859 -92.464 -LEU 3 3.800 117.132 0.000 1.939 171.156 -167.018 -TYR 4 3.800 89.686 -158.339 2.484 135.250 -9.169 -ILE 5 3.800 116.086 101.172 1.776 153.590 -90.229 -GLN 6 3.800 131.434 161.037 2.240 140.052 -131.787 -TRP 7 3.800 84.875 121.180 2.605 156.656 -137.140 -LEU 8 3.800 124.747 -130.826 1.939 142.785 -53.537 -LYS 9 3.800 116.559 73.675 2.541 177.515 155.723 -ASP 10 3.800 107.910 -114.500 1.709 108.250 -70.795 -GLY 11 3.800 148.598 -106.936 0.000 0.000 0.000 -GLY 12 3.800 138.163 -3.592 0.000 0.000 0.000 -PRO 13 3.800 165.868 7.798 1.345 108.332 -141.301 -SER 14 3.800 101.137 -13.079 1.150 158.290 -58.199 -SER 15 3.800 93.124 -102.405 1.150 84.581 -58.133 -GLY 16 3.800 153.421 132.051 0.000 0.000 0.000 -ARG 17 3.800 96.120 36.656 3.020 150.227 93.753 -PRO 18 3.800 101.088 173.913 1.345 114.853 -115.403 -PRO 19 3.800 109.660 -5.690 1.345 129.728 -140.673 -PRO 20 3.800 129.312 155.028 1.345 120.535 -144.627 -SER 21 3.800 138.689 65.022 1.150 107.206 -72.787 -D 22 3.800 90.841 19.262 0.000 0.000 0.000 - -Geometry of the virtual chain. - Res d Theta Gamma Dsc Alpha Beta -D 1 0.000 0.000 0.000 0.000 0.000 0.000 -ASN 2 3.800 0.000 0.000 1.684 175.741 -21.285 -LEU 3 3.800 110.679 0.000 1.939 120.310 -91.365 -TYR 4 3.800 140.680 -77.350 2.484 110.475 -85.427 -ILE 5 3.800 143.516 19.414 1.776 167.658 173.806 -GLN 6 3.800 113.573 150.346 2.240 155.025 -91.785 -TRP 7 3.800 130.444 -4.095 2.605 129.354 -33.600 -LEU 8 3.800 111.091 38.607 1.939 169.788 -134.871 -LYS 9 3.800 90.436 113.276 2.541 149.028 -61.588 -ASP 10 3.800 123.218 -146.050 1.709 129.385 -103.700 -GLY 11 3.800 91.613 -17.768 0.000 0.000 0.000 -GLY 12 3.800 118.676 -100.595 0.000 0.000 0.000 -PRO 13 3.800 126.126 -124.427 1.345 122.130 -130.282 -SER 14 3.800 118.771 25.295 1.150 162.146 -98.638 -SER 15 3.800 119.407 -159.430 1.150 137.095 -92.327 -GLY 16 3.800 128.700 26.122 0.000 0.000 0.000 -ARG 17 3.800 119.852 92.195 3.020 120.249 -40.994 -PRO 18 3.800 145.767 120.160 1.345 133.129 -173.976 -PRO 19 3.800 150.183 81.460 1.345 121.998 -132.357 -PRO 20 3.800 124.916 -179.453 1.345 118.734 -113.880 -SER 21 3.800 105.990 26.178 1.150 148.358 -24.085 -D 22 3.800 88.544 31.109 0.000 0.000 0.000 - -Geometry of the virtual chain. - Res d Theta Gamma Dsc Alpha Beta -D 1 0.000 0.000 0.000 0.000 0.000 0.000 -ASN 2 3.800 0.000 0.000 1.684 148.275 -157.529 -LEU 3 3.800 108.981 0.000 1.939 146.179 -155.824 -TYR 4 3.800 92.953 -80.561 2.484 139.046 161.004 -ILE 5 3.800 105.262 -90.735 1.776 160.492 -40.439 -GLN 6 3.800 128.063 -166.168 2.240 150.091 -59.326 -TRP 7 3.800 89.959 162.603 2.605 137.830 172.720 -LEU 8 3.800 107.217 -60.704 1.939 154.450 -136.705 -LYS 9 3.800 107.747 -90.896 2.541 145.452 -118.362 -ASP 10 3.800 100.226 -88.258 1.709 105.744 -98.002 -GLY 11 3.800 144.085 -8.130 0.000 0.000 0.000 -GLY 12 3.800 130.959 -121.043 0.000 0.000 0.000 -PRO 13 3.800 145.047 177.047 1.345 105.018 -124.761 -SER 14 3.800 95.299 125.280 1.150 152.352 -113.885 -SER 15 3.800 111.691 63.330 1.150 153.886 -77.838 -GLY 16 3.800 118.080 -54.244 0.000 0.000 0.000 -ARG 17 3.800 134.373 142.647 3.020 172.632 153.871 -PRO 18 3.800 113.423 112.718 1.345 146.366 93.072 -PRO 19 3.800 167.447 36.970 1.345 113.413 -120.212 -PRO 20 3.800 124.469 172.039 1.345 109.897 -99.045 -SER 21 3.800 107.016 70.088 1.150 143.887 -82.226 -D 22 3.800 138.367 168.243 0.000 0.000 0.000 - -Geometry of the virtual chain. - Res d Theta Gamma Dsc Alpha Beta -D 1 0.000 0.000 0.000 0.000 0.000 0.000 -ASN 2 3.800 0.000 0.000 1.684 170.037 17.451 -LEU 3 3.800 92.353 0.000 1.939 157.699 -7.579 -TYR 4 3.800 93.869 144.425 2.484 134.680 -160.604 -ILE 5 3.800 134.819 -121.174 1.776 142.332 -84.157 -GLN 6 3.800 69.446 42.138 2.240 143.057 -75.577 -TRP 7 3.800 89.333 -125.405 2.605 133.697 8.881 -LEU 8 3.800 113.804 91.604 1.939 132.842 -88.899 -LYS 9 3.800 140.036 -156.535 2.541 141.594 -105.918 -ASP 10 3.800 130.387 37.670 1.709 134.522 -112.026 -GLY 11 3.800 107.565 -26.769 0.000 0.000 0.000 -GLY 12 3.800 128.206 102.832 0.000 0.000 0.000 -PRO 13 3.800 92.743 55.436 1.345 96.198 -133.390 -SER 14 3.800 101.072 -151.140 1.150 115.457 -58.951 -SER 15 3.800 97.817 -84.852 1.150 156.244 -78.614 -GLY 16 3.800 112.722 65.601 0.000 0.000 0.000 -ARG 17 3.800 105.416 -31.206 3.020 110.746 -70.926 -PRO 18 3.800 119.956 -124.952 1.345 127.443 -132.833 -PRO 19 3.800 112.893 161.212 1.345 108.888 -132.545 -PRO 20 3.800 101.219 153.916 1.345 129.026 -149.308 -SER 21 3.800 128.540 -19.795 1.150 106.942 -69.149 -D 22 3.800 98.140 87.451 0.000 0.000 0.000 - -Geometry of the virtual chain. - Res d Theta Gamma Dsc Alpha Beta -D 1 0.000 0.000 0.000 0.000 0.000 0.000 -ASN 2 3.800 0.000 0.000 1.684 145.716 -50.845 -LEU 3 3.800 96.409 0.000 1.939 114.583 -43.834 -TYR 4 3.800 88.211 -27.733 2.484 127.966 -11.194 -ILE 5 3.800 120.553 45.373 1.776 150.260 -78.685 -GLN 6 3.800 148.943 -141.082 2.240 146.438 166.771 -TRP 7 3.800 123.702 -128.395 2.605 105.985 -76.036 -LEU 8 3.800 136.580 44.365 1.939 164.964 -167.763 -LYS 9 3.800 94.318 67.092 2.541 130.390 171.194 -ASP 10 3.800 126.738 50.008 1.709 143.451 -136.711 -GLY 11 3.800 89.911 -52.533 0.000 0.000 0.000 -GLY 12 3.800 122.993 142.045 0.000 0.000 0.000 -PRO 13 3.800 115.324 -47.662 1.345 93.806 -123.876 -SER 14 3.800 93.746 -159.858 1.150 132.613 -80.469 -SER 15 3.800 103.785 -40.288 1.150 104.985 -56.018 -GLY 16 3.800 87.955 120.866 0.000 0.000 0.000 -ARG 17 3.800 113.589 119.924 3.020 158.724 172.695 -PRO 18 3.800 90.765 157.855 1.345 101.183 -118.523 -PRO 19 3.800 93.104 -5.213 1.345 110.748 -86.881 -PRO 20 3.800 61.202 142.926 1.345 122.414 -124.361 -SER 21 3.800 109.639 -67.640 1.150 159.057 -100.543 -D 22 3.800 109.470 8.980 0.000 0.000 0.000 - -Geometry of the virtual chain. - Res d Theta Gamma Dsc Alpha Beta -D 1 0.000 0.000 0.000 0.000 0.000 0.000 -ASN 2 3.800 0.000 0.000 1.684 155.839 -157.229 -LEU 3 3.800 91.837 0.000 1.939 149.818 -131.269 -TYR 4 3.800 95.566 -94.923 2.484 147.598 -1.503 -ILE 5 3.800 83.125 -59.956 1.776 147.062 -78.031 -GLN 6 3.800 84.795 146.022 2.240 166.601 26.543 -TRP 7 3.800 160.518 86.885 2.605 171.581 139.131 -LEU 8 3.800 90.117 -82.794 1.939 126.967 -15.586 -LYS 9 3.800 153.470 -48.407 2.541 159.400 -21.565 -ASP 10 3.800 138.345 150.643 1.709 109.457 -77.335 -GLY 11 3.800 117.205 45.490 0.000 0.000 0.000 -GLY 12 3.800 147.119 177.319 0.000 0.000 0.000 -PRO 13 3.800 107.022 -53.075 1.345 124.217 -153.966 -SER 14 3.800 142.725 118.506 1.150 104.190 -74.037 -SER 15 3.800 117.444 -178.193 1.150 104.166 -60.537 -GLY 16 3.800 117.348 -5.399 0.000 0.000 0.000 -ARG 17 3.800 112.198 154.099 3.020 138.773 -174.992 -PRO 18 3.800 102.667 -117.531 1.345 155.783 45.575 -PRO 19 3.800 171.000 40.131 1.345 127.493 -129.577 -PRO 20 3.800 110.126 -28.749 1.345 125.639 -151.147 -SER 21 3.800 144.850 24.427 1.150 119.400 -86.068 -D 22 3.800 142.338 61.282 0.000 0.000 0.000 - -Geometry of the virtual chain. - Res d Theta Gamma Dsc Alpha Beta -D 1 0.000 0.000 0.000 0.000 0.000 0.000 -ASN 2 3.800 0.000 0.000 1.684 109.713 -80.455 -LEU 3 3.800 139.983 0.000 1.939 149.484 -34.909 -TYR 4 3.800 123.636 131.352 2.484 95.468 -73.174 -ILE 5 3.800 158.818 -134.689 1.776 140.302 -58.998 -GLN 6 3.800 83.228 6.794 2.240 139.808 -127.269 -TRP 7 3.800 112.053 87.538 2.605 105.858 -24.278 -LEU 8 3.800 129.995 -26.085 1.939 150.726 -145.655 -LYS 9 3.800 101.684 -39.746 2.541 153.379 -153.806 -ASP 10 3.800 126.177 -134.344 1.709 153.405 -35.185 -GLY 11 3.800 147.817 97.581 0.000 0.000 0.000 -GLY 12 3.800 99.399 173.051 0.000 0.000 0.000 -PRO 13 3.800 115.272 -132.887 1.345 123.691 -121.092 -SER 14 3.800 106.525 68.848 1.150 90.383 -59.025 -SER 15 3.800 152.166 -62.408 1.150 117.676 -72.165 -GLY 16 3.800 126.796 152.468 0.000 0.000 0.000 -ARG 17 3.800 142.185 94.541 3.020 141.572 170.133 -PRO 18 3.800 117.435 84.239 1.345 125.626 -127.015 -PRO 19 3.800 117.305 -8.596 1.345 88.868 -115.176 -PRO 20 3.800 96.482 118.198 1.345 105.061 -114.212 -SER 21 3.800 87.919 -158.023 1.150 126.268 -128.453 -D 22 3.800 128.705 -111.129 0.000 0.000 0.000 - -Geometry of the virtual chain. - Res d Theta Gamma Dsc Alpha Beta -D 1 0.000 0.000 0.000 0.000 0.000 0.000 -ASN 2 3.800 0.000 0.000 1.684 139.067 -157.045 -LEU 3 3.800 90.169 0.000 1.939 158.525 -148.363 -TYR 4 3.800 117.183 -10.580 2.484 148.946 -164.631 -ILE 5 3.800 119.787 15.004 1.776 141.634 -75.888 -GLN 6 3.800 131.315 14.006 2.240 134.123 96.341 -TRP 7 3.800 94.123 -176.042 2.605 133.530 -32.905 -LEU 8 3.800 88.175 -118.825 1.939 125.870 -68.812 -LYS 9 3.800 126.363 132.006 2.541 153.854 -85.611 -ASP 10 3.800 145.648 57.484 1.709 152.168 -22.863 -GLY 11 3.800 105.939 99.769 0.000 0.000 0.000 -GLY 12 3.800 127.439 34.027 0.000 0.000 0.000 -PRO 13 3.800 130.747 -163.039 1.345 116.368 -129.858 -SER 14 3.800 120.090 -0.065 1.150 110.829 -58.210 -SER 15 3.800 95.579 135.366 1.150 128.195 -44.207 -GLY 16 3.800 125.841 -133.158 0.000 0.000 0.000 -ARG 17 3.800 121.300 131.513 3.020 141.134 -82.232 -PRO 18 3.800 139.760 -126.261 1.345 123.517 -130.639 -PRO 19 3.800 126.900 -98.269 1.345 133.769 -146.444 -PRO 20 3.800 123.292 -48.716 1.345 160.681 33.869 -SER 21 3.800 171.000 134.666 1.150 127.080 151.497 -D 22 3.800 118.324 -114.657 0.000 0.000 0.000 - -Geometry of the virtual chain. - Res d Theta Gamma Dsc Alpha Beta -D 1 0.000 0.000 0.000 0.000 0.000 0.000 -ASN 2 3.800 0.000 0.000 1.684 163.251 -16.446 -LEU 3 3.800 123.779 0.000 1.939 148.109 -120.517 -TYR 4 3.800 91.426 129.511 2.484 142.800 -139.620 -ILE 5 3.800 121.666 -49.147 1.776 171.412 -142.425 -GLN 6 3.800 128.005 173.088 2.240 151.275 -169.235 -TRP 7 3.800 85.022 90.206 2.605 157.168 37.771 -LEU 8 3.800 112.264 122.534 1.939 136.121 -56.418 -LYS 9 3.800 130.490 -28.543 2.541 176.008 -150.741 -ASP 10 3.800 117.098 -37.027 1.709 135.137 -76.005 -GLY 11 3.800 95.900 10.361 0.000 0.000 0.000 -GLY 12 3.800 123.159 -162.804 0.000 0.000 0.000 -PRO 13 3.800 123.785 -33.713 1.345 113.020 -118.912 -SER 14 3.800 115.860 -18.883 1.150 96.788 -63.140 -SER 15 3.800 138.447 -45.488 1.150 133.336 -51.937 -GLY 16 3.800 129.875 -15.636 0.000 0.000 0.000 -ARG 17 3.800 123.056 96.795 3.020 151.172 -107.854 -PRO 18 3.800 105.429 129.901 1.345 108.287 -108.944 -PRO 19 3.800 96.150 -134.976 1.345 142.329 151.925 -PRO 20 3.800 158.703 -33.829 1.345 114.596 -117.631 -SER 21 3.800 114.526 -167.780 1.150 62.493 -51.174 -D 22 3.800 162.404 100.870 0.000 0.000 0.000 - -Geometry of the virtual chain. - Res d Theta Gamma Dsc Alpha Beta -D 1 0.000 0.000 0.000 0.000 0.000 0.000 -ASN 2 3.800 0.000 0.000 1.684 126.817 -149.559 -LEU 3 3.800 115.176 0.000 1.939 150.020 -98.089 -TYR 4 3.800 85.892 -3.755 2.484 112.178 -102.519 -ILE 5 3.800 116.964 15.144 1.776 159.294 -44.163 -GLN 6 3.800 120.336 128.098 2.240 151.052 -93.680 -TRP 7 3.800 133.429 -111.576 2.605 146.233 -29.025 -LEU 8 3.800 120.858 67.089 1.939 162.169 -27.301 -LYS 9 3.800 100.569 -8.806 2.541 138.962 -100.398 -ASP 10 3.800 122.737 110.747 1.709 122.691 -73.152 -GLY 11 3.800 94.617 -9.185 0.000 0.000 0.000 -GLY 12 3.800 93.146 176.355 0.000 0.000 0.000 -PRO 13 3.800 126.249 160.808 1.345 120.240 -134.055 -SER 14 3.800 118.988 -12.435 1.150 107.181 -71.135 -SER 15 3.800 91.714 120.185 1.150 106.140 -70.934 -GLY 16 3.800 113.778 10.693 0.000 0.000 0.000 -ARG 17 3.800 145.313 78.595 3.020 138.311 -173.754 -PRO 18 3.800 103.663 96.084 1.345 120.306 -116.513 -PRO 19 3.800 106.347 -22.709 1.345 130.128 -142.698 -PRO 20 3.800 130.897 53.153 1.345 95.776 -125.525 -SER 21 3.800 101.315 -140.275 1.150 132.905 -139.296 -D 22 3.800 122.973 -136.367 0.000 0.000 0.000 - -Geometry of the virtual chain. - Res d Theta Gamma Dsc Alpha Beta -D 1 0.000 0.000 0.000 0.000 0.000 0.000 -ASN 2 3.800 0.000 0.000 1.684 149.824 -26.699 -LEU 3 3.800 142.183 0.000 1.939 174.841 -172.716 -TYR 4 3.800 58.697 167.120 2.484 150.641 -147.396 -ILE 5 3.800 111.372 -49.504 1.776 152.656 -72.186 -GLN 6 3.800 147.225 80.509 2.240 146.906 -168.664 -TRP 7 3.800 116.017 -51.281 2.605 146.278 124.618 -LEU 8 3.800 97.337 126.223 1.939 152.648 -47.203 -LYS 9 3.800 120.958 111.573 2.541 159.340 -61.396 -ASP 10 3.800 85.307 156.114 1.709 154.159 1.719 -GLY 11 3.800 91.680 81.671 0.000 0.000 0.000 -GLY 12 3.800 129.748 38.571 0.000 0.000 0.000 -PRO 13 3.800 141.065 121.289 1.345 92.971 -123.005 -SER 14 3.800 105.318 125.981 1.150 98.222 -67.057 -SER 15 3.800 119.610 172.002 1.150 99.962 -77.106 -GLY 16 3.800 106.941 147.514 0.000 0.000 0.000 -ARG 17 3.800 119.301 147.158 3.020 137.624 -161.009 -PRO 18 3.800 126.468 -68.479 1.345 125.964 -135.704 -PRO 19 3.800 123.501 95.076 1.345 125.871 -144.887 -PRO 20 3.800 129.661 -82.990 1.345 131.092 -168.119 -SER 21 3.800 149.117 -59.363 1.150 96.068 -69.714 -D 22 3.800 135.904 10.004 0.000 0.000 0.000 - -Geometry of the virtual chain. - Res d Theta Gamma Dsc Alpha Beta -D 1 0.000 0.000 0.000 0.000 0.000 0.000 -ASN 2 3.800 0.000 0.000 1.684 120.896 -73.982 -LEU 3 3.800 129.565 0.000 1.939 150.391 -25.088 -TYR 4 3.800 107.389 84.351 2.484 148.010 9.605 -ILE 5 3.800 91.351 1.980 1.776 136.656 -63.052 -GLN 6 3.800 62.451 -68.291 2.240 134.011 -136.973 -TRP 7 3.800 115.245 -174.317 2.605 134.164 7.798 -LEU 8 3.800 113.809 -23.622 1.939 144.083 -87.383 -LYS 9 3.800 123.762 -44.572 2.541 164.836 -68.080 -ASP 10 3.800 130.761 -95.839 1.709 111.866 -73.681 -GLY 11 3.800 132.235 -81.495 0.000 0.000 0.000 -GLY 12 3.800 114.951 -174.139 0.000 0.000 0.000 -PRO 13 3.800 99.095 28.737 1.345 124.195 -140.326 -SER 14 3.800 132.847 122.473 1.150 92.583 -66.559 -SER 15 3.800 121.988 13.919 1.150 89.754 -74.783 -GLY 16 3.800 94.150 51.655 0.000 0.000 0.000 -ARG 17 3.800 117.044 -9.170 3.020 132.377 -39.757 -PRO 18 3.800 95.011 120.552 1.345 121.841 -129.780 -PRO 19 3.800 117.145 83.261 1.345 107.269 -112.974 -PRO 20 3.800 82.065 9.398 1.345 123.569 -134.476 -SER 21 3.800 119.181 -81.313 1.150 152.512 7.739 -D 22 3.800 87.529 99.884 0.000 0.000 0.000 -CG Processor: 0: bad sampling box. -CG Processor: 0: bad sampling box. -CG Processor: 0: bad sampling box. -CG Processor: 0: bad sampling box. -CG Processor: 0: bad sampling box. -CG Processor: 0: bad sampling box. -CG Processor: 0: bad sampling box. -CG Processor: 0: bad sampling box. -CG Processor: 0: bad sampling box. -CG Processor: 0: bad sampling box. -CG Processor: 0: bad sampling box. -CG Processor: 0: bad sampling box. -CG Processor: 0: bad sampling box. -CG Processor: 0: bad sampling box. -CG Processor: 0: bad sampling box. -CG Processor: 0: bad sampling box. -CG Processor: 0: bad sampling box. -CG Processor: 0: bad sampling box. -CG Processor: 0: bad sampling box. -CG Processor: 0: bad sampling box. -CG Processor: 0: bad sampling box. -CG Processor: 0: bad sampling box. -CG Processor: 0: bad sampling box. -CG Processor: 0: bad sampling box. -CG Processor: 0: bad sampling box. -CG Processor: 0: bad sampling box. -CG Processor: 0: bad sampling box. -CG Processor: 0: bad sampling box. -CG Processor: 0: bad sampling box. -CG Processor: 0: bad sampling box. -CG Processor: 0: bad sampling box. -CG Processor: 0: bad sampling box. -CG Processor: 0: bad sampling box. -CG Processor: 0: bad sampling box. -CG Processor: 0: bad sampling box. -CG Processor: 0: bad sampling box. -CG Processor: 0: bad sampling box. -CG Processor: 0: bad sampling box. -CG Processor: 0: bad sampling box. -CG Processor: 0: bad sampling box. -CG Processor: 0: bad sampling box. -CG Processor: 0: bad sampling box. -CG Processor: 0: bad sampling box. -CG Processor: 0: bad sampling box. -CG Processor: 0: bad sampling box. -CG Processor: 0: bad sampling box. -CG Processor: 0: bad sampling box. -CG Processor: 0: bad sampling box. -CG Processor: 0: bad sampling box. -CG Processor: 0: bad sampling box. -CG Processor: 0: bad sampling box. -CG Processor: 0: bad sampling box. -CG Processor: 0: bad sampling box. -CG Processor: 0: bad sampling box. -CG Processor: 0: bad sampling box. -CG Processor: 0: bad sampling box. -CG Processor: 0: bad sampling box. -CG Processor: 0: bad sampling box. -CG Processor: 0: bad sampling box. -CG Processor: 0: bad sampling box. -CG Processor: 0: bad sampling box. -CG Processor: 0: bad sampling box. -CG Processor: 0: bad sampling box. -CG Processor: 0: bad sampling box. -CG Processor: 0: bad sampling box. -CG Processor: 0: bad sampling box. -CG Processor: 0: bad sampling box. -CG Processor: 0: bad sampling box. -CG Processor: 0: bad sampling box. -CG Processor: 0: bad sampling box. -CG Processor: 0: bad sampling box. -CG Processor: 0: bad sampling box. -CG Processor: 0: bad sampling box. -CG Processor: 0: bad sampling box. -CG Processor: 0: bad sampling box. -CG Processor: 0: bad sampling box. -CG Processor: 0: bad sampling box. -CG Processor: 0: bad sampling box. -CG Processor: 0: bad sampling box. -CG Processor: 0: bad sampling box. -CG Processor: 0: bad sampling box. -CG Processor: 0: bad sampling box. -CG Processor: 0: bad sampling box. -CG Processor: 0: bad sampling box. -CG Processor: 0: bad sampling box. -CG Processor: 0: bad sampling box. -CG Processor: 0: bad sampling box. -CG Processor: 0: bad sampling box. -CG Processor: 0: bad sampling box. -CG Processor: 0: bad sampling box. -CG Processor: 0: bad sampling box. -CG Processor: 0: bad sampling box. -CG Processor: 0: bad sampling box. -CG Processor: 0: bad sampling box. -CG Processor: 0: bad sampling box. -CG Processor: 0: bad sampling box. -CG Processor: 0: bad sampling box. -CG Processor: 0: bad sampling box. -CG Processor: 0: bad sampling box. -CG Processor: 0: bad sampling box. -CG Processor: 0: bad sampling box. - Failed to generate conformation # 107 itrial= 107 - -Geometry of the virtual chain. - Res d Theta Gamma Dsc Alpha Beta -D 1 0.000 0.000 0.000 0.000 0.000 0.000 -ASN 2 3.800 0.000 0.000 1.684 149.679 -136.407 -LEU 3 3.800 120.537 0.000 1.939 145.800 -85.224 -TYR 4 3.800 92.131 -78.350 2.484 136.038 -149.919 -ILE 5 3.800 127.232 144.652 1.776 132.026 -56.939 -GLN 6 3.800 84.700 -17.022 2.240 139.092 -69.132 -TRP 7 3.800 102.590 137.533 2.605 140.108 -26.845 -LEU 8 3.800 101.906 -162.840 1.939 154.273 -24.921 -LYS 9 3.800 107.764 -58.773 2.541 139.198 -136.751 -ASP 10 3.800 122.470 19.217 1.709 78.360 -87.151 -GLY 11 3.800 171.000 -41.488 0.000 0.000 0.000 -GLY 12 3.800 127.890 154.060 0.000 0.000 0.000 -PRO 13 3.800 116.227 -131.002 1.345 128.973 -139.473 -SER 14 3.800 128.221 -105.031 1.150 130.902 -58.285 -SER 15 3.800 95.202 -102.163 1.150 154.397 -71.226 -GLY 16 3.800 104.369 -161.394 0.000 0.000 0.000 -ARG 17 3.800 161.086 -119.762 3.020 134.662 -127.582 -PRO 18 3.800 110.654 -94.812 1.345 111.160 -104.179 -PRO 19 3.800 88.956 80.889 1.345 124.438 -145.656 -PRO 20 3.800 139.255 -4.747 1.345 125.797 -142.859 -SER 21 3.800 133.343 -63.560 1.150 98.741 -73.694 -D 22 3.800 135.685 -128.299 0.000 0.000 0.000 - -Geometry of the virtual chain. - Res d Theta Gamma Dsc Alpha Beta -D 1 0.000 0.000 0.000 0.000 0.000 0.000 -ASN 2 3.800 0.000 0.000 1.684 121.227 -120.741 -LEU 3 3.800 134.554 0.000 1.939 148.738 -76.899 -TYR 4 3.800 99.621 -38.571 2.484 146.496 -150.436 -ILE 5 3.800 104.465 117.896 1.776 143.118 -79.835 -GLN 6 3.800 107.449 -157.047 2.240 126.687 -167.083 -TRP 7 3.800 98.368 142.274 2.605 133.159 -133.989 -LEU 8 3.800 138.295 80.111 1.939 139.770 -36.555 -LYS 9 3.800 125.445 -28.995 2.541 144.689 92.388 -ASP 10 3.800 116.496 161.429 1.709 149.579 -10.381 -GLY 11 3.800 119.849 111.183 0.000 0.000 0.000 -GLY 12 3.800 126.986 91.254 0.000 0.000 0.000 -PRO 13 3.800 132.667 164.000 1.345 136.203 -165.972 -SER 14 3.800 145.548 153.394 1.150 155.048 -94.689 -SER 15 3.800 110.788 -14.176 1.150 104.329 -121.720 -GLY 16 3.800 139.492 -61.744 0.000 0.000 0.000 -ARG 17 3.800 97.238 153.142 3.020 120.336 -68.256 -PRO 18 3.800 110.783 87.958 1.345 96.105 -108.793 -PRO 19 3.800 87.005 172.074 1.345 127.526 -142.501 -PRO 20 3.800 117.515 -59.220 1.345 126.749 -130.963 -SER 21 3.800 113.607 136.225 1.150 83.493 -53.475 -D 22 3.800 155.770 156.384 0.000 0.000 0.000 - -Geometry of the virtual chain. - Res d Theta Gamma Dsc Alpha Beta -D 1 0.000 0.000 0.000 0.000 0.000 0.000 -ASN 2 3.800 0.000 0.000 1.684 137.150 -137.217 -LEU 3 3.800 98.048 0.000 1.939 155.329 -19.303 -TYR 4 3.800 97.734 -16.987 2.484 143.445 8.823 -ILE 5 3.800 135.093 -91.796 1.776 166.148 156.568 -GLN 6 3.800 114.490 -42.657 2.240 160.233 -48.515 -TRP 7 3.800 126.095 -94.485 2.605 152.877 -152.522 -LEU 8 3.800 98.543 -33.574 1.939 163.627 -11.430 -LYS 9 3.800 74.803 -112.484 2.541 124.761 -79.380 -ASP 10 3.800 144.701 -148.807 1.709 136.100 -17.252 -GLY 11 3.800 137.684 -136.822 0.000 0.000 0.000 -GLY 12 3.800 103.410 164.109 0.000 0.000 0.000 -PRO 13 3.800 111.085 -131.683 1.345 114.762 -108.248 -SER 14 3.800 109.502 -16.370 1.150 163.775 -18.869 -SER 15 3.800 105.896 -168.526 1.150 137.465 -91.129 -GLY 16 3.800 122.865 162.318 0.000 0.000 0.000 -ARG 17 3.800 123.376 98.678 3.020 123.309 24.406 -PRO 18 3.800 138.644 -145.796 1.345 122.164 -154.244 -PRO 19 3.800 146.174 -16.921 1.345 118.602 -137.178 -PRO 20 3.800 136.348 -170.264 1.345 122.943 -134.417 -SER 21 3.800 125.069 60.630 1.150 132.982 -106.987 -D 22 3.800 120.237 -73.102 0.000 0.000 0.000 - -Geometry of the virtual chain. - Res d Theta Gamma Dsc Alpha Beta -D 1 0.000 0.000 0.000 0.000 0.000 0.000 -ASN 2 3.800 0.000 0.000 1.684 166.418 -11.741 -LEU 3 3.800 104.643 0.000 1.939 155.986 -40.770 -TYR 4 3.800 108.851 114.899 2.484 145.057 -176.362 -ILE 5 3.800 133.457 -10.083 1.776 150.262 -69.322 -GLN 6 3.800 143.857 -74.733 2.240 140.568 -162.071 -TRP 7 3.800 106.192 171.088 2.605 121.004 -112.863 -LEU 8 3.800 123.891 -61.729 1.939 162.864 -5.449 -LYS 9 3.800 91.028 29.796 2.541 143.112 127.228 -ASP 10 3.800 115.101 127.562 1.709 121.668 -87.523 -GLY 11 3.800 136.001 -113.825 0.000 0.000 0.000 -GLY 12 3.800 106.666 87.661 0.000 0.000 0.000 -PRO 13 3.800 154.419 -71.147 1.345 108.572 -107.508 -SER 14 3.800 104.253 -139.168 1.150 103.686 -75.311 -SER 15 3.800 131.498 -142.899 1.150 162.092 -29.432 -GLY 16 3.800 89.237 153.259 0.000 0.000 0.000 -ARG 17 3.800 130.215 9.345 3.020 139.590 172.743 -PRO 18 3.800 120.595 -69.811 1.345 134.771 -134.775 -PRO 19 3.800 124.752 -0.187 1.345 92.653 -96.040 -PRO 20 3.800 85.147 41.650 1.345 117.446 -124.459 -SER 21 3.800 115.351 79.367 1.150 144.051 -92.913 -D 22 3.800 126.706 117.721 0.000 0.000 0.000 - -Geometry of the virtual chain. - Res d Theta Gamma Dsc Alpha Beta -D 1 0.000 0.000 0.000 0.000 0.000 0.000 -ASN 2 3.800 0.000 0.000 1.684 160.821 -58.065 -LEU 3 3.800 96.193 0.000 1.939 150.069 -139.707 -TYR 4 3.800 82.724 -33.137 2.484 133.248 179.257 -ILE 5 3.800 111.006 -68.823 1.776 143.803 -88.067 -GLN 6 3.800 87.048 -117.785 2.240 163.945 -38.776 -TRP 7 3.800 89.854 133.375 2.605 91.880 -65.261 -LEU 8 3.800 149.793 175.762 1.939 150.435 -94.957 -LYS 9 3.800 116.049 162.506 2.541 141.610 -121.668 -ASP 10 3.800 129.077 -88.014 1.709 149.060 -8.236 -GLY 11 3.800 120.796 178.467 0.000 0.000 0.000 -GLY 12 3.800 130.780 -148.900 0.000 0.000 0.000 -PRO 13 3.800 127.311 -121.465 1.345 98.476 -115.295 -SER 14 3.800 93.229 -26.633 1.150 107.210 -51.135 -SER 15 3.800 121.385 -47.437 1.150 110.003 -58.200 -GLY 16 3.800 113.302 74.790 0.000 0.000 0.000 -ARG 17 3.800 124.632 -126.779 3.020 48.143 96.308 -PRO 18 3.800 171.000 41.145 1.345 130.635 -163.148 -PRO 19 3.800 143.922 113.966 1.345 118.760 -124.452 -PRO 20 3.800 114.268 -143.484 1.345 96.126 -123.774 -SER 21 3.800 101.416 -72.244 1.150 102.901 -60.953 -D 22 3.800 136.687 95.148 0.000 0.000 0.000 - -Geometry of the virtual chain. - Res d Theta Gamma Dsc Alpha Beta -D 1 0.000 0.000 0.000 0.000 0.000 0.000 -ASN 2 3.800 0.000 0.000 1.684 118.215 -92.479 -LEU 3 3.800 130.767 0.000 1.939 149.967 -155.914 -TYR 4 3.800 91.034 -134.884 2.484 119.338 -158.784 -ILE 5 3.800 143.358 -19.682 1.776 161.006 -163.496 -GLN 6 3.800 100.164 19.655 2.240 128.389 -138.604 -TRP 7 3.800 94.915 -40.621 2.605 131.202 -9.413 -LEU 8 3.800 100.195 -165.253 1.939 134.870 -46.472 -LYS 9 3.800 153.955 117.883 2.541 146.110 -70.759 -ASP 10 3.800 109.906 71.132 1.709 148.429 -28.081 -GLY 11 3.800 91.213 43.348 0.000 0.000 0.000 -GLY 12 3.800 125.664 58.450 0.000 0.000 0.000 -PRO 13 3.800 158.832 -38.977 1.345 119.712 -121.492 -SER 14 3.800 117.502 -139.010 1.150 158.213 -28.468 -SER 15 3.800 128.852 -92.348 1.150 150.215 -91.703 -GLY 16 3.800 114.293 -140.280 0.000 0.000 0.000 -ARG 17 3.800 113.997 107.114 3.020 155.191 172.024 -PRO 18 3.800 86.614 -104.099 1.345 123.999 -147.478 -PRO 19 3.800 142.899 25.256 1.345 128.272 -141.271 -PRO 20 3.800 123.607 170.391 1.345 132.400 -163.157 -SER 21 3.800 147.325 -177.877 1.150 100.866 -64.582 -D 22 3.800 132.723 -116.942 0.000 0.000 0.000 - -Geometry of the virtual chain. - Res d Theta Gamma Dsc Alpha Beta -D 1 0.000 0.000 0.000 0.000 0.000 0.000 -ASN 2 3.800 0.000 0.000 1.684 139.151 -30.184 -LEU 3 3.800 130.757 0.000 1.939 143.353 -32.144 -TYR 4 3.800 92.984 -148.086 2.484 154.214 167.222 -ILE 5 3.800 102.120 -93.881 1.776 137.013 -53.143 -GLN 6 3.800 111.578 25.181 2.240 135.478 -59.094 -TRP 7 3.800 93.511 66.997 2.605 114.209 -22.565 -LEU 8 3.800 122.964 6.690 1.939 160.192 -15.111 -LYS 9 3.800 99.830 -118.599 2.541 141.871 -128.888 -ASP 10 3.800 104.748 -9.989 1.709 158.742 -8.250 -GLY 11 3.800 128.391 -37.627 0.000 0.000 0.000 -GLY 12 3.800 144.552 4.722 0.000 0.000 0.000 -PRO 13 3.800 117.675 -177.936 1.345 115.135 -121.026 -SER 14 3.800 113.178 -74.132 1.150 159.005 -117.318 -SER 15 3.800 90.346 49.153 1.150 92.689 -66.244 -GLY 16 3.800 134.959 -150.172 0.000 0.000 0.000 -ARG 17 3.800 148.378 -86.619 3.020 150.146 -11.362 -PRO 18 3.800 116.643 -170.590 1.345 130.282 -138.802 -PRO 19 3.800 130.166 -37.006 1.345 134.940 -162.305 -PRO 20 3.800 144.350 -170.661 1.345 99.091 -125.949 -SER 21 3.800 97.801 -176.894 1.150 117.390 -85.814 -D 22 3.800 86.304 -14.878 0.000 0.000 0.000 - -Geometry of the virtual chain. - Res d Theta Gamma Dsc Alpha Beta -D 1 0.000 0.000 0.000 0.000 0.000 0.000 -ASN 2 3.800 0.000 0.000 1.684 124.193 -80.537 -LEU 3 3.800 129.074 0.000 1.939 162.707 -179.915 -TYR 4 3.800 89.617 78.294 2.484 138.717 -155.715 -ILE 5 3.800 113.391 57.958 1.776 167.033 -147.218 -GLN 6 3.800 123.790 49.235 2.240 124.516 -38.405 -TRP 7 3.800 104.114 0.261 2.605 124.790 -20.036 -LEU 8 3.800 128.166 -112.014 1.939 137.309 -81.036 -LYS 9 3.800 131.782 -84.897 2.541 133.715 -54.718 -ASP 10 3.800 101.947 45.580 1.709 116.785 -95.523 -GLY 11 3.800 130.450 51.482 0.000 0.000 0.000 -GLY 12 3.800 135.134 16.325 0.000 0.000 0.000 -PRO 13 3.800 124.419 -133.335 1.345 118.614 -102.416 -SER 14 3.800 105.997 132.381 1.150 109.838 -79.202 -SER 15 3.800 96.718 -32.720 1.150 136.525 -36.460 -GLY 16 3.800 113.209 169.822 0.000 0.000 0.000 -ARG 17 3.800 165.406 128.802 3.020 132.773 -72.138 -PRO 18 3.800 115.639 -123.122 1.345 95.551 -94.064 -PRO 19 3.800 88.178 -56.521 1.345 121.618 -128.913 -PRO 20 3.800 125.649 -165.929 1.345 130.426 -152.245 -SER 21 3.800 141.889 17.238 1.150 110.268 -68.513 -D 22 3.800 102.951 5.473 0.000 0.000 0.000 - -Geometry of the virtual chain. - Res d Theta Gamma Dsc Alpha Beta -D 1 0.000 0.000 0.000 0.000 0.000 0.000 -ASN 2 3.800 0.000 0.000 1.684 149.613 -125.905 -LEU 3 3.800 102.291 0.000 1.939 150.248 -146.194 -TYR 4 3.800 121.572 -93.623 2.484 134.290 -25.559 -ILE 5 3.800 130.053 -124.788 1.776 169.345 -120.879 -GLN 6 3.800 133.829 27.494 2.240 130.729 -170.569 -TRP 7 3.800 69.804 3.600 2.605 106.382 -91.961 -LEU 8 3.800 141.978 25.823 1.939 150.769 -137.852 -LYS 9 3.800 97.772 173.999 2.541 138.412 -46.331 -ASP 10 3.800 94.590 152.686 1.709 146.209 -26.285 -GLY 11 3.800 125.522 123.622 0.000 0.000 0.000 -GLY 12 3.800 94.496 -5.660 0.000 0.000 0.000 -PRO 13 3.800 122.126 -144.898 1.345 132.566 -172.059 -SER 14 3.800 151.451 74.487 1.150 137.341 -70.325 -SER 15 3.800 115.680 -27.199 1.150 149.450 -82.052 -GLY 16 3.800 118.145 146.805 0.000 0.000 0.000 -ARG 17 3.800 147.240 -150.611 3.020 138.401 -134.938 -PRO 18 3.800 125.025 25.253 1.345 133.257 172.408 -PRO 19 3.800 157.264 37.172 1.345 115.724 -141.389 -PRO 20 3.800 139.295 82.121 1.345 123.462 -130.223 -SER 21 3.800 121.284 -92.307 1.150 129.201 -80.748 -D 22 3.800 105.931 -54.881 0.000 0.000 0.000 - -Geometry of the virtual chain. - Res d Theta Gamma Dsc Alpha Beta -D 1 0.000 0.000 0.000 0.000 0.000 0.000 -ASN 2 3.800 0.000 0.000 1.684 157.785 -122.821 -LEU 3 3.800 99.627 0.000 1.939 149.796 -115.378 -TYR 4 3.800 92.633 29.501 2.484 159.490 -161.440 -ILE 5 3.800 120.188 17.911 1.776 152.980 -93.719 -GLN 6 3.800 129.751 -149.626 2.240 160.439 104.564 -TRP 7 3.800 124.446 -81.864 2.605 131.077 -32.424 -LEU 8 3.800 111.484 -89.122 1.939 150.013 -164.127 -LYS 9 3.800 99.901 1.328 2.541 171.048 -146.641 -ASP 10 3.800 127.125 82.126 1.709 165.754 -11.605 -GLY 11 3.800 131.703 81.843 0.000 0.000 0.000 -GLY 12 3.800 115.785 -109.555 0.000 0.000 0.000 -PRO 13 3.800 86.591 -71.350 1.345 108.535 -103.773 -SER 14 3.800 110.237 -50.838 1.150 89.320 -74.994 -SER 15 3.800 123.063 -159.112 1.150 141.398 -90.030 -GLY 16 3.800 106.219 44.433 0.000 0.000 0.000 -ARG 17 3.800 122.758 -67.477 3.020 129.341 2.147 -PRO 18 3.800 133.626 -161.229 1.345 120.852 -140.095 -PRO 19 3.800 127.180 90.389 1.345 99.790 -96.856 -PRO 20 3.800 102.450 104.101 1.345 126.490 -145.043 -SER 21 3.800 131.207 -0.414 1.150 97.132 -64.723 -D 22 3.800 146.343 110.040 0.000 0.000 0.000 - -Geometry of the virtual chain. - Res d Theta Gamma Dsc Alpha Beta -D 1 0.000 0.000 0.000 0.000 0.000 0.000 -ASN 2 3.800 0.000 0.000 1.684 153.043 -155.578 -LEU 3 3.800 87.228 0.000 1.939 140.357 -170.618 -TYR 4 3.800 104.554 120.868 2.484 138.215 173.563 -ILE 5 3.800 130.327 44.297 1.776 132.470 -66.854 -GLN 6 3.800 148.213 -1.824 2.240 144.812 -92.970 -TRP 7 3.800 143.791 36.633 2.605 150.614 4.342 -LEU 8 3.800 125.876 -155.938 1.939 152.555 -19.989 -LYS 9 3.800 98.300 -96.525 2.541 148.723 164.037 -ASP 10 3.800 124.090 34.656 1.709 155.019 -11.174 -GLY 11 3.800 136.977 11.126 0.000 0.000 0.000 -GLY 12 3.800 151.390 155.729 0.000 0.000 0.000 -PRO 13 3.800 149.838 -71.853 1.345 87.973 -95.036 -SER 14 3.800 84.871 92.304 1.150 142.175 -123.329 -SER 15 3.800 103.738 -91.289 1.150 150.735 -80.938 -GLY 16 3.800 94.221 120.224 0.000 0.000 0.000 -ARG 17 3.800 132.203 30.147 3.020 133.191 93.411 -PRO 18 3.800 104.671 86.226 1.345 93.061 -108.177 -PRO 19 3.800 96.624 -17.379 1.345 127.396 -150.776 -PRO 20 3.800 142.267 18.387 1.345 128.192 -132.842 -SER 21 3.800 110.682 3.886 1.150 107.061 -68.890 -D 22 3.800 133.274 -139.569 0.000 0.000 0.000 - -Geometry of the virtual chain. - Res d Theta Gamma Dsc Alpha Beta -D 1 0.000 0.000 0.000 0.000 0.000 0.000 -ASN 2 3.800 0.000 0.000 1.684 163.431 12.837 -LEU 3 3.800 101.195 0.000 1.939 146.769 -121.203 -TYR 4 3.800 93.030 57.522 2.484 122.427 -102.269 -ILE 5 3.800 104.878 100.500 1.776 133.353 -71.075 -GLN 6 3.800 147.524 164.226 2.240 171.077 163.604 -TRP 7 3.800 115.576 -108.542 2.605 93.571 -87.079 -LEU 8 3.800 135.455 -21.162 1.939 128.421 -47.224 -LYS 9 3.800 152.877 148.365 2.541 126.449 124.558 -ASP 10 3.800 162.241 -25.560 1.709 89.666 -83.031 -GLY 11 3.800 144.803 -1.586 0.000 0.000 0.000 -GLY 12 3.800 117.139 -155.071 0.000 0.000 0.000 -PRO 13 3.800 156.164 114.227 1.345 95.780 -101.470 -SER 14 3.800 97.323 -38.812 1.150 148.336 -140.464 -SER 15 3.800 109.824 -80.708 1.150 96.662 -77.066 -GLY 16 3.800 126.368 75.462 0.000 0.000 0.000 -ARG 17 3.800 105.010 -108.848 3.020 126.008 -85.126 -PRO 18 3.800 142.332 -94.529 1.345 123.802 -152.062 -PRO 19 3.800 140.464 95.730 1.345 103.019 -98.327 -PRO 20 3.800 89.250 -52.554 1.345 115.345 -91.704 -SER 21 3.800 57.883 28.661 1.150 99.784 -58.938 -D 22 3.800 145.015 -145.147 0.000 0.000 0.000 - -Geometry of the virtual chain. - Res d Theta Gamma Dsc Alpha Beta -D 1 0.000 0.000 0.000 0.000 0.000 0.000 -ASN 2 3.800 0.000 0.000 1.684 118.827 -91.158 -LEU 3 3.800 111.511 0.000 1.939 161.878 -172.461 -TYR 4 3.800 95.256 102.123 2.484 146.422 -155.609 -ILE 5 3.800 119.450 10.189 1.776 145.144 -75.717 -GLN 6 3.800 92.161 78.396 2.240 140.860 97.424 -TRP 7 3.800 119.586 -140.093 2.605 98.839 -61.763 -LEU 8 3.800 110.396 18.404 1.939 145.656 -137.021 -LYS 9 3.800 128.788 78.865 2.541 154.352 -160.447 -ASP 10 3.800 124.851 56.843 1.709 122.463 -150.795 -GLY 11 3.800 117.338 -54.463 0.000 0.000 0.000 -GLY 12 3.800 128.964 -105.092 0.000 0.000 0.000 -PRO 13 3.800 131.415 44.597 1.345 119.716 -120.181 -SER 14 3.800 105.786 -95.916 1.150 156.423 -38.033 -SER 15 3.800 119.114 -124.891 1.150 98.536 -57.971 -GLY 16 3.800 126.118 -67.077 0.000 0.000 0.000 -ARG 17 3.800 113.565 -160.020 3.020 150.519 5.305 -PRO 18 3.800 123.008 -135.077 1.345 101.168 -119.716 -PRO 19 3.800 94.461 34.969 1.345 119.540 -121.659 -PRO 20 3.800 115.343 31.976 1.345 111.106 -122.031 -SER 21 3.800 126.953 130.797 1.150 97.100 -61.080 -D 22 3.800 149.167 82.972 0.000 0.000 0.000 - -Geometry of the virtual chain. - Res d Theta Gamma Dsc Alpha Beta -D 1 0.000 0.000 0.000 0.000 0.000 0.000 -ASN 2 3.800 0.000 0.000 1.684 140.809 -161.758 -LEU 3 3.800 103.010 0.000 1.939 141.435 -78.297 -TYR 4 3.800 142.506 -112.303 2.484 153.481 -159.190 -ILE 5 3.800 125.872 129.230 1.776 172.433 -139.050 -GLN 6 3.800 132.706 -50.198 2.240 113.941 -95.945 -TRP 7 3.800 109.143 -12.903 2.605 144.693 163.977 -LEU 8 3.800 96.960 158.909 1.939 153.772 -136.916 -LYS 9 3.800 118.576 -43.221 2.541 162.603 -162.680 -ASP 10 3.800 105.043 10.805 1.709 116.586 -95.444 -GLY 11 3.800 143.823 82.081 0.000 0.000 0.000 -GLY 12 3.800 146.655 118.236 0.000 0.000 0.000 -PRO 13 3.800 137.631 -54.201 1.345 127.801 -147.299 -SER 14 3.800 133.348 67.687 1.150 133.347 -76.539 -SER 15 3.800 120.837 142.787 1.150 83.620 -68.113 -GLY 16 3.800 122.061 22.108 0.000 0.000 0.000 -ARG 17 3.800 93.717 -110.876 3.020 158.111 52.591 -PRO 18 3.800 101.821 -97.512 1.345 118.965 -122.672 -PRO 19 3.800 111.265 177.822 1.345 87.437 -118.343 -PRO 20 3.800 95.736 -29.260 1.345 131.763 -158.408 -SER 21 3.800 147.172 82.038 1.150 119.360 -76.800 -D 22 3.800 125.141 -158.552 0.000 0.000 0.000 - -Geometry of the virtual chain. - Res d Theta Gamma Dsc Alpha Beta -D 1 0.000 0.000 0.000 0.000 0.000 0.000 -ASN 2 3.800 0.000 0.000 1.684 158.015 11.468 -LEU 3 3.800 103.155 0.000 1.939 154.562 -13.294 -TYR 4 3.800 92.383 -159.021 2.484 159.902 -161.461 -ILE 5 3.800 109.522 -87.257 1.776 171.804 -163.264 -GLN 6 3.800 121.295 -4.061 2.240 146.294 -97.664 -TRP 7 3.800 114.258 -103.649 2.605 149.640 -173.357 -LEU 8 3.800 121.383 -126.883 1.939 155.825 -138.333 -LYS 9 3.800 120.663 -100.234 2.541 128.702 -74.591 -ASP 10 3.800 135.119 50.833 1.709 158.018 -101.889 -GLY 11 3.800 95.433 -163.968 0.000 0.000 0.000 -GLY 12 3.800 105.510 -69.894 0.000 0.000 0.000 -PRO 13 3.800 130.247 124.487 1.345 102.883 -129.538 -SER 14 3.800 101.887 -124.203 1.150 152.083 -146.034 -SER 15 3.800 87.209 98.444 1.150 139.085 -62.749 -GLY 16 3.800 130.683 95.180 0.000 0.000 0.000 -ARG 17 3.800 90.619 104.569 3.020 147.890 -37.087 -PRO 18 3.800 151.669 -19.776 1.345 129.928 -169.001 -PRO 19 3.800 152.777 176.355 1.345 142.521 167.462 -PRO 20 3.800 150.669 -15.222 1.345 127.474 -141.041 -SER 21 3.800 130.442 -162.422 1.150 140.167 -57.854 -D 22 3.800 116.809 178.956 0.000 0.000 0.000 - -Geometry of the virtual chain. - Res d Theta Gamma Dsc Alpha Beta -D 1 0.000 0.000 0.000 0.000 0.000 0.000 -ASN 2 3.800 0.000 0.000 1.684 134.514 -161.228 -LEU 3 3.800 95.060 0.000 1.939 151.095 -133.884 -TYR 4 3.800 104.194 -129.236 2.484 148.084 173.274 -ILE 5 3.800 101.941 26.746 1.776 138.659 -91.621 -GLN 6 3.800 146.792 -0.751 2.240 144.611 -82.859 -TRP 7 3.800 125.143 87.722 2.605 138.423 -106.104 -LEU 8 3.800 123.152 -65.169 1.939 149.089 -165.256 -LYS 9 3.800 138.559 -67.911 2.541 141.969 -64.916 -ASP 10 3.800 96.110 163.452 1.709 131.036 -147.511 -GLY 11 3.800 94.300 -141.533 0.000 0.000 0.000 -GLY 12 3.800 122.529 -42.516 0.000 0.000 0.000 -PRO 13 3.800 131.088 124.691 1.345 122.350 -144.666 -SER 14 3.800 137.490 104.113 1.150 96.152 -71.241 -SER 15 3.800 130.626 87.277 1.150 136.973 -78.052 -GLY 16 3.800 130.946 177.471 0.000 0.000 0.000 -ARG 17 3.800 113.744 -44.714 3.020 124.299 -158.649 -PRO 18 3.800 113.424 117.246 1.345 118.518 -129.443 -PRO 19 3.800 123.018 5.818 1.345 98.454 -105.869 -PRO 20 3.800 86.039 -13.927 1.345 113.294 -120.048 -SER 21 3.800 121.094 104.666 1.150 138.195 -105.501 -D 22 3.800 93.082 11.836 0.000 0.000 0.000 - -Geometry of the virtual chain. - Res d Theta Gamma Dsc Alpha Beta -D 1 0.000 0.000 0.000 0.000 0.000 0.000 -ASN 2 3.800 0.000 0.000 1.684 151.287 -98.510 -LEU 3 3.800 97.830 0.000 1.939 133.071 -52.345 -TYR 4 3.800 141.954 130.620 2.484 136.323 -169.709 -ILE 5 3.800 108.569 -10.273 1.776 141.283 -65.308 -GLN 6 3.800 89.866 37.856 2.240 134.732 -124.895 -TRP 7 3.800 82.660 129.807 2.605 105.369 -73.954 -LEU 8 3.800 151.261 -18.978 1.939 150.433 -119.298 -LYS 9 3.800 92.709 -66.194 2.541 172.170 -86.142 -ASP 10 3.800 109.598 -42.985 1.709 106.928 -86.365 -GLY 11 3.800 148.684 34.300 0.000 0.000 0.000 -GLY 12 3.800 122.631 -15.102 0.000 0.000 0.000 -PRO 13 3.800 98.980 168.541 1.345 123.586 -130.042 -SER 14 3.800 124.562 31.387 1.150 128.659 -43.326 -SER 15 3.800 120.236 -35.399 1.150 125.327 -149.506 -GLY 16 3.800 127.346 92.575 0.000 0.000 0.000 -ARG 17 3.800 130.713 -173.228 3.020 133.618 -15.582 -PRO 18 3.800 155.722 117.682 1.345 106.723 -108.395 -PRO 19 3.800 106.734 68.483 1.345 120.583 -117.273 -PRO 20 3.800 110.802 -23.863 1.345 124.386 -138.804 -SER 21 3.800 130.955 102.621 1.150 91.671 -61.173 -D 22 3.800 124.255 -171.475 0.000 0.000 0.000 - -Geometry of the virtual chain. - Res d Theta Gamma Dsc Alpha Beta -D 1 0.000 0.000 0.000 0.000 0.000 0.000 -ASN 2 3.800 0.000 0.000 1.684 153.745 1.357 -LEU 3 3.800 88.972 0.000 1.939 171.253 -141.435 -TYR 4 3.800 92.312 118.211 2.484 121.475 -26.162 -ILE 5 3.800 131.717 121.013 1.776 136.465 -66.050 -GLN 6 3.800 98.818 -133.973 2.240 146.850 -36.320 -TRP 7 3.800 134.343 18.041 2.605 101.392 -77.106 -LEU 8 3.800 131.295 -138.706 1.939 143.343 -38.966 -LYS 9 3.800 110.949 80.360 2.541 172.553 166.091 -ASP 10 3.800 102.359 -129.968 1.709 150.517 -12.515 -GLY 11 3.800 91.668 126.029 0.000 0.000 0.000 -GLY 12 3.800 133.672 -84.655 0.000 0.000 0.000 -PRO 13 3.800 133.494 2.233 1.345 101.734 -126.076 -SER 14 3.800 95.825 114.515 1.150 135.093 -61.212 -SER 15 3.800 121.733 -14.410 1.150 133.327 -97.551 -GLY 16 3.800 116.776 -78.387 0.000 0.000 0.000 -ARG 17 3.800 121.522 -149.365 3.020 145.622 -30.519 -PRO 18 3.800 142.098 101.360 1.345 111.422 -109.889 -PRO 19 3.800 121.401 137.699 1.345 94.126 -106.388 -PRO 20 3.800 88.281 -103.114 1.345 106.013 -126.228 -SER 21 3.800 89.693 -119.640 1.150 141.436 -110.384 -D 22 3.800 99.803 135.852 0.000 0.000 0.000 - -Geometry of the virtual chain. - Res d Theta Gamma Dsc Alpha Beta -D 1 0.000 0.000 0.000 0.000 0.000 0.000 -ASN 2 3.800 0.000 0.000 1.684 158.126 -22.641 -LEU 3 3.800 102.048 0.000 1.939 138.040 160.306 -TYR 4 3.800 91.402 -171.081 2.484 138.834 -159.660 -ILE 5 3.800 124.928 38.414 1.776 172.743 -131.830 -GLN 6 3.800 120.116 -18.683 2.240 155.549 122.275 -TRP 7 3.800 86.291 132.128 2.605 145.615 -26.991 -LEU 8 3.800 137.401 -90.204 1.939 160.976 -20.284 -LYS 9 3.800 98.228 -125.643 2.541 129.063 -169.624 -ASP 10 3.800 64.903 43.659 1.709 113.532 -84.847 -GLY 11 3.800 131.536 179.349 0.000 0.000 0.000 -GLY 12 3.800 142.735 176.124 0.000 0.000 0.000 -PRO 13 3.800 133.440 -170.671 1.345 110.961 -107.128 -SER 14 3.800 103.355 29.354 1.150 115.720 -94.920 -SER 15 3.800 139.803 54.104 1.150 84.121 -59.600 -GLY 16 3.800 157.966 46.370 0.000 0.000 0.000 -ARG 17 3.800 126.756 -92.312 3.020 133.044 -169.812 -PRO 18 3.800 121.625 -80.535 1.345 99.174 -96.140 -PRO 19 3.800 86.776 11.581 1.345 107.065 -81.971 -PRO 20 3.800 63.529 60.851 1.345 117.250 -119.769 -SER 21 3.800 110.961 175.502 1.150 117.854 -65.193 -D 22 3.800 99.598 32.652 0.000 0.000 0.000 - -Geometry of the virtual chain. - Res d Theta Gamma Dsc Alpha Beta -D 1 0.000 0.000 0.000 0.000 0.000 0.000 -ASN 2 3.800 0.000 0.000 1.684 143.811 -140.251 -LEU 3 3.800 94.578 0.000 1.939 116.354 -22.902 -TYR 4 3.800 156.599 103.659 2.484 114.637 -97.007 -ILE 5 3.800 98.937 66.786 1.776 138.527 -59.539 -GLN 6 3.800 167.690 -161.220 2.240 157.723 78.041 -TRP 7 3.800 118.708 46.409 2.605 105.951 -91.123 -LEU 8 3.800 139.912 -98.527 1.939 133.474 -35.210 -LYS 9 3.800 122.908 117.908 2.541 134.610 -30.213 -ASP 10 3.800 89.184 138.492 1.709 133.758 -117.369 -GLY 11 3.800 96.455 -176.446 0.000 0.000 0.000 -GLY 12 3.800 105.474 -102.309 0.000 0.000 0.000 -PRO 13 3.800 130.861 -74.685 1.345 174.378 17.584 -SER 14 3.800 171.000 155.997 1.150 147.544 -80.354 -SER 15 3.800 117.765 28.380 1.150 79.548 -56.160 -GLY 16 3.800 157.059 3.706 0.000 0.000 0.000 -ARG 17 3.800 131.132 -179.280 3.020 146.398 -135.544 -PRO 18 3.800 129.444 37.231 1.345 129.664 -144.618 -PRO 19 3.800 132.219 32.395 1.345 89.401 -91.858 -PRO 20 3.800 68.726 0.007 1.345 102.308 -100.171 -SER 21 3.800 84.401 143.153 1.150 116.794 -49.740 -D 22 3.800 117.445 133.480 0.000 0.000 0.000 - -Geometry of the virtual chain. - Res d Theta Gamma Dsc Alpha Beta -D 1 0.000 0.000 0.000 0.000 0.000 0.000 -ASN 2 3.800 0.000 0.000 1.684 114.029 -81.304 -LEU 3 3.800 86.566 0.000 1.939 136.683 -75.741 -TYR 4 3.800 144.750 147.122 2.484 131.361 -26.322 -ILE 5 3.800 106.702 89.992 1.776 133.377 -81.839 -GLN 6 3.800 110.686 -96.793 2.240 165.708 -137.239 -TRP 7 3.800 135.654 -167.076 2.605 156.438 177.038 -LEU 8 3.800 119.538 17.247 1.939 153.626 -33.764 -LYS 9 3.800 109.100 100.393 2.541 137.123 -120.835 -ASP 10 3.800 146.795 51.469 1.709 112.459 -91.266 -GLY 11 3.800 140.510 -162.155 0.000 0.000 0.000 -GLY 12 3.800 131.098 98.728 0.000 0.000 0.000 -PRO 13 3.800 136.957 -72.133 1.345 96.026 -87.157 -SER 14 3.800 77.990 7.318 1.150 88.372 -74.024 -SER 15 3.800 142.573 143.825 1.150 123.318 -9.188 -GLY 16 3.800 94.611 -29.652 0.000 0.000 0.000 -ARG 17 3.800 153.980 87.628 3.020 118.654 -101.567 -PRO 18 3.800 118.873 126.946 1.345 121.829 -122.449 -PRO 19 3.800 118.580 58.842 1.345 108.816 -107.034 -PRO 20 3.800 108.713 139.926 1.345 154.577 50.520 -SER 21 3.800 171.000 -1.648 1.150 100.906 -56.032 -D 22 3.800 129.657 -159.210 0.000 0.000 0.000 - -Geometry of the virtual chain. - Res d Theta Gamma Dsc Alpha Beta -D 1 0.000 0.000 0.000 0.000 0.000 0.000 -ASN 2 3.800 0.000 0.000 1.684 134.188 -102.108 -LEU 3 3.800 120.448 0.000 1.939 134.961 -89.099 -TYR 4 3.800 153.246 109.868 2.484 139.054 -161.943 -ILE 5 3.800 125.767 6.955 1.776 158.128 -94.918 -GLN 6 3.800 73.867 111.346 2.240 132.538 -64.113 -TRP 7 3.800 120.601 138.453 2.605 107.182 -73.747 -LEU 8 3.800 144.149 51.496 1.939 142.225 -54.464 -LYS 9 3.800 126.433 -77.110 2.541 151.841 -85.845 -ASP 10 3.800 126.599 -37.986 1.709 134.248 -51.277 -GLY 11 3.800 105.828 -152.044 0.000 0.000 0.000 -GLY 12 3.800 96.790 -123.072 0.000 0.000 0.000 -PRO 13 3.800 135.613 178.682 1.345 99.698 -120.638 -SER 14 3.800 108.990 -21.316 1.150 115.776 -56.620 -SER 15 3.800 133.647 -171.693 1.150 149.794 -133.109 -GLY 16 3.800 130.510 101.438 0.000 0.000 0.000 -ARG 17 3.800 131.521 -163.533 3.020 148.046 -169.418 -PRO 18 3.800 117.271 -146.945 1.345 119.205 -158.542 -PRO 19 3.800 147.230 -166.572 1.345 132.659 -159.223 -PRO 20 3.800 140.597 139.815 1.345 92.206 -105.525 -SER 21 3.800 102.262 151.775 1.150 128.480 -114.321 -D 22 3.800 120.624 16.273 0.000 0.000 0.000 - -Geometry of the virtual chain. - Res d Theta Gamma Dsc Alpha Beta -D 1 0.000 0.000 0.000 0.000 0.000 0.000 -ASN 2 3.800 0.000 0.000 1.684 139.837 -130.710 -LEU 3 3.800 93.119 0.000 1.939 138.289 -120.060 -TYR 4 3.800 95.426 108.680 2.484 96.192 -80.149 -ILE 5 3.800 156.439 -57.573 1.776 127.232 -95.382 -GLN 6 3.800 107.202 51.854 2.240 130.748 7.389 -TRP 7 3.800 90.575 81.369 2.605 147.308 -17.825 -LEU 8 3.800 126.140 4.681 1.939 126.188 -97.344 -LYS 9 3.800 149.795 5.002 2.541 101.377 -75.674 -ASP 10 3.800 159.273 -81.889 1.709 107.535 -83.967 -GLY 11 3.800 117.303 -90.213 0.000 0.000 0.000 -GLY 12 3.800 103.520 117.067 0.000 0.000 0.000 -PRO 13 3.800 171.000 -51.947 1.345 122.084 -126.851 -SER 14 3.800 116.894 102.924 1.150 143.866 -72.630 -SER 15 3.800 131.487 -104.869 1.150 100.709 -51.306 -GLY 16 3.800 126.350 53.870 0.000 0.000 0.000 -ARG 17 3.800 113.411 147.446 3.020 122.210 -46.840 -PRO 18 3.800 114.456 -0.592 1.345 120.894 -152.334 -PRO 19 3.800 145.391 -171.901 1.345 123.864 -138.062 -PRO 20 3.800 130.694 -157.592 1.345 123.427 -134.170 -SER 21 3.800 124.696 -171.292 1.150 98.947 -63.145 -D 22 3.800 135.258 114.630 0.000 0.000 0.000 - -Geometry of the virtual chain. - Res d Theta Gamma Dsc Alpha Beta -D 1 0.000 0.000 0.000 0.000 0.000 0.000 -ASN 2 3.800 0.000 0.000 1.684 112.147 -82.464 -LEU 3 3.800 110.607 0.000 1.939 147.720 -113.139 -TYR 4 3.800 98.512 120.310 2.484 129.981 -20.373 -ILE 5 3.800 87.437 148.371 1.776 146.190 -63.792 -GLN 6 3.800 94.074 110.189 2.240 149.577 -169.564 -TRP 7 3.800 109.497 -166.327 2.605 138.137 0.682 -LEU 8 3.800 112.895 2.448 1.939 160.947 -130.343 -LYS 9 3.800 88.540 -45.673 2.541 158.364 -73.844 -ASP 10 3.800 143.646 120.300 1.709 144.296 -104.433 -GLY 11 3.800 97.854 -171.487 0.000 0.000 0.000 -GLY 12 3.800 111.304 -169.657 0.000 0.000 0.000 -PRO 13 3.800 158.905 22.194 1.345 111.246 -106.575 -SER 14 3.800 99.646 65.699 1.150 143.234 -72.045 -SER 15 3.800 132.711 111.830 1.150 137.079 -105.537 -GLY 16 3.800 112.981 131.357 0.000 0.000 0.000 -ARG 17 3.800 156.913 -136.881 3.020 139.016 -143.397 -PRO 18 3.800 122.119 87.384 1.345 125.674 -145.558 -PRO 19 3.800 140.885 7.440 1.345 105.163 -132.850 -PRO 20 3.800 90.224 22.329 1.345 130.287 -135.340 -SER 21 3.800 112.216 14.732 1.150 138.436 -80.811 -D 22 3.800 98.212 100.363 0.000 0.000 0.000 - -Geometry of the virtual chain. - Res d Theta Gamma Dsc Alpha Beta -D 1 0.000 0.000 0.000 0.000 0.000 0.000 -ASN 2 3.800 0.000 0.000 1.684 122.073 -89.524 -LEU 3 3.800 142.691 0.000 1.939 178.295 -129.805 -TYR 4 3.800 91.860 -145.267 2.484 155.643 149.286 -ILE 5 3.800 98.793 130.357 1.776 142.564 -77.498 -GLN 6 3.800 150.890 8.588 2.240 121.371 -37.720 -TRP 7 3.800 101.087 -145.404 2.605 155.771 110.481 -LEU 8 3.800 81.933 140.263 1.939 161.712 -158.697 -LYS 9 3.800 88.702 54.347 2.541 144.529 -108.583 -ASP 10 3.800 143.312 -93.390 1.709 147.078 -126.785 -GLY 11 3.800 91.304 -101.065 0.000 0.000 0.000 -GLY 12 3.800 132.276 128.152 0.000 0.000 0.000 -PRO 13 3.800 132.500 178.414 1.345 104.248 -123.846 -SER 14 3.800 136.933 -73.671 1.150 139.749 -143.470 -SER 15 3.800 98.220 163.986 1.150 97.740 -65.520 -GLY 16 3.800 98.358 107.803 0.000 0.000 0.000 -ARG 17 3.800 132.188 129.872 3.020 140.079 -167.376 -PRO 18 3.800 103.959 85.232 1.345 122.827 -152.453 -PRO 19 3.800 145.723 -35.042 1.345 110.187 -123.257 -PRO 20 3.800 128.883 -134.529 1.345 121.732 -131.349 -SER 21 3.800 107.532 124.095 1.150 96.522 -59.714 -D 22 3.800 98.660 -88.768 0.000 0.000 0.000 - -Geometry of the virtual chain. - Res d Theta Gamma Dsc Alpha Beta -D 1 0.000 0.000 0.000 0.000 0.000 0.000 -ASN 2 3.800 0.000 0.000 1.684 116.855 -104.242 -LEU 3 3.800 118.561 0.000 1.939 155.939 -57.586 -TYR 4 3.800 105.359 -145.425 2.484 145.082 -13.911 -ILE 5 3.800 100.165 50.099 1.776 142.715 -77.714 -GLN 6 3.800 67.276 75.702 2.240 141.060 32.878 -TRP 7 3.800 136.917 144.868 2.605 146.477 25.432 -LEU 8 3.800 111.362 31.278 1.939 148.394 -63.698 -LYS 9 3.800 113.877 13.271 2.541 169.315 151.461 -ASP 10 3.800 121.752 -119.652 1.709 122.635 -84.358 -GLY 11 3.800 108.130 16.525 0.000 0.000 0.000 -GLY 12 3.800 102.877 -175.912 0.000 0.000 0.000 -PRO 13 3.800 151.905 -163.199 1.345 128.516 -131.350 -SER 14 3.800 108.478 -66.786 1.150 103.774 -65.566 -SER 15 3.800 112.258 -113.312 1.150 92.328 -64.086 -GLY 16 3.800 147.871 23.106 0.000 0.000 0.000 -ARG 17 3.800 110.837 157.787 3.020 131.839 155.395 -PRO 18 3.800 147.964 59.778 1.345 126.084 -169.483 -PRO 19 3.800 154.165 75.434 1.345 105.839 -142.043 -PRO 20 3.800 97.583 -7.404 1.345 103.051 -123.191 -SER 21 3.800 98.644 11.888 1.150 114.450 -65.650 -D 22 3.800 94.214 -144.781 0.000 0.000 0.000 - -Geometry of the virtual chain. - Res d Theta Gamma Dsc Alpha Beta -D 1 0.000 0.000 0.000 0.000 0.000 0.000 -ASN 2 3.800 0.000 0.000 1.684 150.684 -9.449 -LEU 3 3.800 120.282 0.000 1.939 143.999 -109.921 -TYR 4 3.800 123.018 48.069 2.484 144.591 -31.433 -ILE 5 3.800 127.786 -15.986 1.776 155.161 -51.316 -GLN 6 3.800 88.664 136.127 2.240 151.705 -140.806 -TRP 7 3.800 131.393 121.945 2.605 147.162 -147.820 -LEU 8 3.800 115.525 133.932 1.939 158.811 -22.415 -LYS 9 3.800 96.958 72.391 2.541 169.766 142.234 -ASP 10 3.800 104.467 29.908 1.709 151.135 -28.536 -GLY 11 3.800 104.578 -165.869 0.000 0.000 0.000 -GLY 12 3.800 73.876 98.401 0.000 0.000 0.000 -PRO 13 3.800 140.534 126.033 1.345 118.840 -129.078 -SER 14 3.800 120.876 9.538 1.150 104.400 -75.199 -SER 15 3.800 84.811 113.833 1.150 106.195 -79.714 -GLY 16 3.800 105.858 43.343 0.000 0.000 0.000 -ARG 17 3.800 109.961 -118.019 3.020 141.358 -126.067 -PRO 18 3.800 145.317 -170.655 1.345 103.789 -112.559 -PRO 19 3.800 94.319 77.922 1.345 124.491 -131.715 -PRO 20 3.800 126.612 46.452 1.345 96.713 -100.749 -SER 21 3.800 78.682 -78.063 1.150 151.974 -175.204 -D 22 3.800 113.495 -120.139 0.000 0.000 0.000 - -Geometry of the virtual chain. - Res d Theta Gamma Dsc Alpha Beta -D 1 0.000 0.000 0.000 0.000 0.000 0.000 -ASN 2 3.800 0.000 0.000 1.684 140.634 -150.910 -LEU 3 3.800 100.053 0.000 1.939 149.023 -131.078 -TYR 4 3.800 89.621 58.346 2.484 109.118 -92.959 -ILE 5 3.800 132.785 71.286 1.776 134.376 -97.456 -GLN 6 3.800 162.518 -24.045 2.240 109.336 -87.940 -TRP 7 3.800 98.619 128.968 2.605 130.059 -107.010 -LEU 8 3.800 141.086 -164.236 1.939 159.914 -97.492 -LYS 9 3.800 91.199 -10.686 2.541 134.917 -0.746 -ASP 10 3.800 115.342 -178.256 1.709 126.455 -83.925 -GLY 11 3.800 96.490 54.391 0.000 0.000 0.000 -GLY 12 3.800 151.100 -1.928 0.000 0.000 0.000 -PRO 13 3.800 129.240 -160.517 1.345 135.334 -165.163 -SER 14 3.800 144.701 -130.404 1.150 157.532 -125.680 -SER 15 3.800 88.011 167.841 1.150 129.782 -91.537 -GLY 16 3.800 107.485 -146.490 0.000 0.000 0.000 -ARG 17 3.800 144.260 -45.678 3.020 140.762 162.985 -PRO 18 3.800 89.563 110.863 1.345 122.102 -138.389 -PRO 19 3.800 139.603 141.035 1.345 99.274 -115.587 -PRO 20 3.800 96.595 -179.338 1.345 123.186 -139.935 -SER 21 3.800 142.080 149.094 1.150 132.769 -105.357 -D 22 3.800 119.387 -66.623 0.000 0.000 0.000 - -Geometry of the virtual chain. - Res d Theta Gamma Dsc Alpha Beta -D 1 0.000 0.000 0.000 0.000 0.000 0.000 -ASN 2 3.800 0.000 0.000 1.684 115.063 -67.399 -LEU 3 3.800 94.790 0.000 1.939 120.531 -102.350 -TYR 4 3.800 149.234 -22.161 2.484 102.007 -104.073 -ILE 5 3.800 131.546 -81.186 1.776 143.786 -81.552 -GLN 6 3.800 157.497 -88.805 2.240 136.407 -137.260 -TRP 7 3.800 102.309 -73.885 2.605 152.077 2.400 -LEU 8 3.800 123.170 73.604 1.939 148.141 -141.755 -LYS 9 3.800 87.017 173.010 2.541 127.180 -61.865 -ASP 10 3.800 132.436 -29.173 1.709 135.126 -32.871 -GLY 11 3.800 144.958 -77.450 0.000 0.000 0.000 -GLY 12 3.800 140.193 -129.423 0.000 0.000 0.000 -PRO 13 3.800 105.858 161.918 1.345 100.340 -116.566 -SER 14 3.800 103.323 13.195 1.150 86.878 -62.155 -SER 15 3.800 119.169 153.049 1.150 154.580 -62.497 -GLY 16 3.800 97.829 -114.163 0.000 0.000 0.000 -ARG 17 3.800 147.215 56.475 3.020 110.961 -152.420 -PRO 18 3.800 141.901 -114.664 1.345 93.700 -85.603 -PRO 19 3.800 80.996 -6.947 1.345 118.822 -139.099 -PRO 20 3.800 132.136 -134.364 1.345 94.317 -94.991 -SER 21 3.800 75.818 -149.414 1.150 105.586 -59.697 -D 22 3.800 151.600 19.772 0.000 0.000 0.000 - -Geometry of the virtual chain. - Res d Theta Gamma Dsc Alpha Beta -D 1 0.000 0.000 0.000 0.000 0.000 0.000 -ASN 2 3.800 0.000 0.000 1.684 143.350 -111.180 -LEU 3 3.800 97.329 0.000 1.939 133.808 -35.533 -TYR 4 3.800 132.545 -150.664 2.484 124.900 -23.612 -ILE 5 3.800 125.167 -118.725 1.776 143.564 -95.746 -GLN 6 3.800 67.595 97.848 2.240 155.080 -145.468 -TRP 7 3.800 90.398 -163.377 2.605 124.346 2.783 -LEU 8 3.800 130.979 -32.767 1.939 111.910 -12.677 -LYS 9 3.800 161.455 -158.843 2.541 126.041 -163.286 -ASP 10 3.800 88.229 65.222 1.709 150.918 -2.014 -GLY 11 3.800 90.817 -141.705 0.000 0.000 0.000 -GLY 12 3.800 144.033 144.234 0.000 0.000 0.000 -PRO 13 3.800 97.276 114.986 1.345 121.031 -119.176 -SER 14 3.800 107.170 110.373 1.150 69.501 -39.248 -SER 15 3.800 168.400 145.818 1.150 122.792 -80.340 -GLY 16 3.800 131.059 58.047 0.000 0.000 0.000 -ARG 17 3.800 93.986 -91.477 3.020 135.155 -42.003 -PRO 18 3.800 124.322 -157.314 1.345 122.360 -128.202 -PRO 19 3.800 125.593 120.571 1.345 120.874 -124.966 -PRO 20 3.800 105.776 46.674 1.345 123.081 -142.021 -SER 21 3.800 118.665 -141.936 1.150 135.443 -93.738 -D 22 3.800 110.711 -178.888 0.000 0.000 0.000 - -Geometry of the virtual chain. - Res d Theta Gamma Dsc Alpha Beta -D 1 0.000 0.000 0.000 0.000 0.000 0.000 -ASN 2 3.800 0.000 0.000 1.684 132.793 -123.825 -LEU 3 3.800 105.774 0.000 1.939 145.636 -56.554 -TYR 4 3.800 132.362 128.507 2.484 141.396 -31.273 -ILE 5 3.800 116.677 -142.227 1.776 167.388 -45.653 -GLN 6 3.800 133.239 -44.858 2.240 161.208 -132.916 -TRP 7 3.800 121.659 -175.431 2.605 98.422 -82.446 -LEU 8 3.800 110.794 -68.560 1.939 128.664 -80.509 -LYS 9 3.800 134.141 -130.136 2.541 121.885 -157.019 -ASP 10 3.800 99.622 -110.444 1.709 127.500 -87.787 -GLY 11 3.800 120.995 68.772 0.000 0.000 0.000 -GLY 12 3.800 122.080 142.198 0.000 0.000 0.000 -PRO 13 3.800 124.284 -158.419 1.345 114.297 -112.164 -SER 14 3.800 107.782 -50.834 1.150 109.539 -72.559 -SER 15 3.800 110.124 -150.881 1.150 90.829 -56.751 -GLY 16 3.800 135.914 -162.189 0.000 0.000 0.000 -ARG 17 3.800 111.644 106.757 3.020 161.843 0.299 -PRO 18 3.800 97.248 3.705 1.345 124.608 -145.938 -PRO 19 3.800 139.603 -175.072 1.345 97.528 -105.291 -PRO 20 3.800 78.120 137.022 1.345 124.191 -138.392 -SER 21 3.800 134.944 38.994 1.150 159.475 -42.072 -D 22 3.800 102.412 -33.257 0.000 0.000 0.000 - -Geometry of the virtual chain. - Res d Theta Gamma Dsc Alpha Beta -D 1 0.000 0.000 0.000 0.000 0.000 0.000 -ASN 2 3.800 0.000 0.000 1.684 147.252 -61.734 -LEU 3 3.800 129.339 0.000 1.939 138.886 -68.697 -TYR 4 3.800 123.291 29.385 2.484 137.014 -164.024 -ILE 5 3.800 117.580 -63.433 1.776 143.676 -78.034 -GLN 6 3.800 131.628 -72.543 2.240 147.603 -59.623 -TRP 7 3.800 142.288 -151.157 2.605 138.102 -153.537 -LEU 8 3.800 145.260 165.437 1.939 166.236 -109.074 -LYS 9 3.800 125.091 -130.394 2.541 165.233 -78.861 -ASP 10 3.800 112.712 149.005 1.709 124.723 -99.659 -GLY 11 3.800 98.364 177.777 0.000 0.000 0.000 -GLY 12 3.800 113.047 -137.110 0.000 0.000 0.000 -PRO 13 3.800 112.940 23.809 1.345 116.458 -124.984 -SER 14 3.800 128.896 104.953 1.150 86.504 -66.473 -SER 15 3.800 147.095 20.697 1.150 145.621 -33.949 -GLY 16 3.800 96.985 92.384 0.000 0.000 0.000 -ARG 17 3.800 103.625 -56.119 3.020 140.061 -73.490 -PRO 18 3.800 101.381 89.798 1.345 102.635 -108.275 -PRO 19 3.800 108.277 -93.004 1.345 119.562 -128.227 -PRO 20 3.800 115.202 -131.516 1.345 90.389 -117.776 -SER 21 3.800 103.682 -161.032 1.150 138.819 -93.326 -D 22 3.800 117.349 175.225 0.000 0.000 0.000 - -Geometry of the virtual chain. - Res d Theta Gamma Dsc Alpha Beta -D 1 0.000 0.000 0.000 0.000 0.000 0.000 -ASN 2 3.800 0.000 0.000 1.684 125.907 -90.251 -LEU 3 3.800 132.925 0.000 1.939 112.742 -34.650 -TYR 4 3.800 117.912 155.108 2.484 148.834 -152.687 -ILE 5 3.800 98.632 -94.767 1.776 163.650 -103.836 -GLN 6 3.800 125.336 81.521 2.240 161.555 -66.912 -TRP 7 3.800 94.681 -116.520 2.605 90.810 -50.774 -LEU 8 3.800 146.923 45.230 1.939 164.826 -111.673 -LYS 9 3.800 119.045 -164.719 2.541 152.161 8.361 -ASP 10 3.800 104.085 -179.278 1.709 152.772 -99.878 -GLY 11 3.800 79.343 65.295 0.000 0.000 0.000 -GLY 12 3.800 118.770 -78.054 0.000 0.000 0.000 -PRO 13 3.800 152.239 -16.879 1.345 120.801 -127.404 -SER 14 3.800 112.329 -44.570 1.150 98.337 -70.732 -SER 15 3.800 96.557 97.993 1.150 148.776 -138.376 -GLY 16 3.800 137.538 -134.244 0.000 0.000 0.000 -ARG 17 3.800 93.922 144.164 3.020 152.243 -78.932 -PRO 18 3.800 117.215 -29.263 1.345 110.891 -137.032 -PRO 19 3.800 85.318 157.643 1.345 125.720 -124.054 -PRO 20 3.800 103.079 144.502 1.345 125.795 -121.487 -SER 21 3.800 111.349 59.180 1.150 118.779 -121.098 -D 22 3.800 146.191 -47.422 0.000 0.000 0.000 - -Geometry of the virtual chain. - Res d Theta Gamma Dsc Alpha Beta -D 1 0.000 0.000 0.000 0.000 0.000 0.000 -ASN 2 3.800 0.000 0.000 1.684 120.866 -71.771 -LEU 3 3.800 141.552 0.000 1.939 162.354 158.561 -TYR 4 3.800 97.204 -55.267 2.484 144.411 165.004 -ILE 5 3.800 131.459 22.946 1.776 164.700 -106.592 -GLN 6 3.800 128.201 -137.280 2.240 148.654 -169.482 -TRP 7 3.800 116.609 9.281 2.605 134.933 -150.727 -LEU 8 3.800 98.375 -133.158 1.939 156.199 -18.004 -LYS 9 3.800 93.754 114.958 2.541 152.476 -60.638 -ASP 10 3.800 138.603 11.393 1.709 130.780 -84.991 -GLY 11 3.800 85.682 60.108 0.000 0.000 0.000 -GLY 12 3.800 116.105 116.065 0.000 0.000 0.000 -PRO 13 3.800 140.907 -87.271 1.345 94.461 -68.211 -SER 14 3.800 89.149 74.878 1.150 98.199 -73.600 -SER 15 3.800 139.176 -92.574 1.150 140.222 177.233 -GLY 16 3.800 118.034 -50.279 0.000 0.000 0.000 -ARG 17 3.800 129.274 -44.165 3.020 138.740 -135.555 -PRO 18 3.800 117.830 -70.650 1.345 103.123 -129.289 -PRO 19 3.800 90.931 -167.592 1.345 109.643 -117.073 -PRO 20 3.800 86.620 32.643 1.345 109.363 -116.166 -SER 21 3.800 81.891 -143.045 1.150 148.128 -120.149 -D 22 3.800 90.141 -8.948 0.000 0.000 0.000 - -Geometry of the virtual chain. - Res d Theta Gamma Dsc Alpha Beta -D 1 0.000 0.000 0.000 0.000 0.000 0.000 -ASN 2 3.800 0.000 0.000 1.684 154.116 1.134 -LEU 3 3.800 98.208 0.000 1.939 120.158 -79.492 -TYR 4 3.800 136.993 57.227 2.484 135.376 -138.651 -ILE 5 3.800 104.227 -91.716 1.776 162.978 -87.270 -GLN 6 3.800 136.292 -92.046 2.240 148.545 112.030 -TRP 7 3.800 137.305 16.143 2.605 143.919 -30.617 -LEU 8 3.800 89.049 -88.992 1.939 167.939 -13.467 -LYS 9 3.800 97.509 100.329 2.541 147.471 -95.600 -ASP 10 3.800 101.958 -107.709 1.709 135.931 -141.381 -GLY 11 3.800 90.716 177.439 0.000 0.000 0.000 -GLY 12 3.800 125.859 -178.599 0.000 0.000 0.000 -PRO 13 3.800 77.511 171.740 1.345 123.444 -146.695 -SER 14 3.800 141.918 56.969 1.150 141.264 -61.385 -SER 15 3.800 128.310 125.969 1.150 117.463 -73.493 -GLY 16 3.800 117.635 58.082 0.000 0.000 0.000 -ARG 17 3.800 120.408 -71.334 3.020 156.092 -18.864 -PRO 18 3.800 139.608 127.368 1.345 137.628 169.514 -PRO 19 3.800 158.173 -64.396 1.345 91.828 -121.434 -PRO 20 3.800 98.148 -179.990 1.345 98.659 -93.434 -SER 21 3.800 97.265 45.607 1.150 117.998 -67.592 -D 22 3.800 94.478 -146.938 0.000 0.000 0.000 - -Geometry of the virtual chain. - Res d Theta Gamma Dsc Alpha Beta -D 1 0.000 0.000 0.000 0.000 0.000 0.000 -ASN 2 3.800 0.000 0.000 1.684 145.097 -142.246 -LEU 3 3.800 99.278 0.000 1.939 146.367 -83.889 -TYR 4 3.800 132.859 -96.378 2.484 136.574 -171.918 -ILE 5 3.800 117.846 69.140 1.776 169.751 -51.770 -GLN 6 3.800 122.823 55.261 2.240 148.844 140.581 -TRP 7 3.800 123.959 -83.022 2.605 148.660 -23.191 -LEU 8 3.800 127.527 -179.437 1.939 153.973 -16.218 -LYS 9 3.800 100.358 49.572 2.541 166.194 -95.522 -ASP 10 3.800 117.772 -157.232 1.709 130.146 -120.797 -GLY 11 3.800 100.622 -31.084 0.000 0.000 0.000 -GLY 12 3.800 122.517 -95.473 0.000 0.000 0.000 -PRO 13 3.800 95.225 66.044 1.345 135.170 147.150 -SER 14 3.800 162.547 -35.540 1.150 153.555 -61.617 -SER 15 3.800 95.724 173.688 1.150 101.311 -61.255 -GLY 16 3.800 87.395 -52.293 0.000 0.000 0.000 -ARG 17 3.800 138.452 -130.898 3.020 174.656 112.199 -PRO 18 3.800 122.986 -148.283 1.345 138.670 -176.466 -PRO 19 3.800 148.390 -139.709 1.345 121.082 -157.225 -PRO 20 3.800 150.183 102.741 1.345 83.807 -103.682 -SER 21 3.800 68.010 154.604 1.150 90.269 -47.186 -D 22 3.800 159.493 -111.204 0.000 0.000 0.000 - -Geometry of the virtual chain. - Res d Theta Gamma Dsc Alpha Beta -D 1 0.000 0.000 0.000 0.000 0.000 0.000 -ASN 2 3.800 0.000 0.000 1.684 108.476 -81.730 -LEU 3 3.800 103.020 0.000 1.939 160.448 -165.255 -TYR 4 3.800 71.051 -2.567 2.484 133.479 -166.001 -ILE 5 3.800 127.226 64.723 1.776 158.182 -97.450 -GLN 6 3.800 158.370 124.987 2.240 157.862 143.995 -TRP 7 3.800 68.408 10.604 2.605 151.446 13.012 -LEU 8 3.800 89.785 138.233 1.939 142.437 -117.556 -LYS 9 3.800 144.096 -143.521 2.541 171.549 -88.658 -ASP 10 3.800 110.127 -72.241 1.709 109.553 -95.438 -GLY 11 3.800 121.354 -170.803 0.000 0.000 0.000 -GLY 12 3.800 165.072 -152.818 0.000 0.000 0.000 -PRO 13 3.800 134.646 125.190 1.345 97.534 -111.014 -SER 14 3.800 85.597 135.262 1.150 137.139 -66.715 -SER 15 3.800 118.877 113.584 1.150 96.084 -50.166 -GLY 16 3.800 144.219 125.161 0.000 0.000 0.000 -ARG 17 3.800 86.500 144.496 3.020 133.951 -102.834 -PRO 18 3.800 124.660 98.918 1.345 124.006 -143.751 -PRO 19 3.800 130.014 25.690 1.345 121.639 -135.781 -PRO 20 3.800 130.278 -111.754 1.345 114.788 -113.937 -SER 21 3.800 116.155 53.285 1.150 105.603 -68.873 -D 22 3.800 85.466 -66.344 0.000 0.000 0.000 - -Geometry of the virtual chain. - Res d Theta Gamma Dsc Alpha Beta -D 1 0.000 0.000 0.000 0.000 0.000 0.000 -ASN 2 3.800 0.000 0.000 1.684 129.645 -124.164 -LEU 3 3.800 134.721 0.000 1.939 154.068 -161.722 -TYR 4 3.800 106.303 29.223 2.484 136.246 -12.855 -ILE 5 3.800 95.400 -70.907 1.776 170.715 -159.193 -GLN 6 3.800 144.434 133.475 2.240 162.999 -161.104 -TRP 7 3.800 93.967 34.948 2.605 151.184 160.957 -LEU 8 3.800 113.191 102.587 1.939 146.294 -37.511 -LYS 9 3.800 101.670 -5.900 2.541 118.637 -34.899 -ASP 10 3.800 87.841 -96.986 1.709 101.348 -97.884 -GLY 11 3.800 164.962 -8.107 0.000 0.000 0.000 -GLY 12 3.800 122.593 97.055 0.000 0.000 0.000 -PRO 13 3.800 115.025 145.334 1.345 126.801 -137.731 -SER 14 3.800 124.361 134.466 1.150 92.491 -67.023 -SER 15 3.800 113.807 -0.370 1.150 139.877 -43.594 -GLY 16 3.800 97.746 16.002 0.000 0.000 0.000 -ARG 17 3.800 116.488 -177.808 3.020 97.648 17.129 -PRO 18 3.800 160.402 -99.051 1.345 148.294 48.923 -PRO 19 3.800 171.000 -111.828 1.345 122.498 -143.404 -PRO 20 3.800 126.269 -87.636 1.345 122.872 -134.307 -SER 21 3.800 120.568 68.477 1.150 154.271 -119.539 -D 22 3.800 138.159 84.806 0.000 0.000 0.000 - -Geometry of the virtual chain. - Res d Theta Gamma Dsc Alpha Beta -D 1 0.000 0.000 0.000 0.000 0.000 0.000 -ASN 2 3.800 0.000 0.000 1.684 146.659 -82.898 -LEU 3 3.800 104.691 0.000 1.939 130.912 -92.145 -TYR 4 3.800 99.698 -21.851 2.484 136.218 -129.070 -ILE 5 3.800 139.184 133.888 1.776 167.826 -103.798 -GLN 6 3.800 127.877 123.055 2.240 156.426 -157.222 -TRP 7 3.800 103.757 -37.086 2.605 131.238 -91.394 -LEU 8 3.800 141.219 167.247 1.939 155.659 -68.349 -LYS 9 3.800 134.637 -28.544 2.541 170.713 -66.709 -ASP 10 3.800 88.097 150.644 1.709 125.982 -101.656 -GLY 11 3.800 97.164 174.807 0.000 0.000 0.000 -GLY 12 3.800 133.826 -105.613 0.000 0.000 0.000 -PRO 13 3.800 105.144 3.645 1.345 164.104 36.853 -SER 14 3.800 171.000 -48.712 1.150 132.568 -100.580 -SER 15 3.800 132.625 36.687 1.150 131.156 -94.465 -GLY 16 3.800 81.109 73.579 0.000 0.000 0.000 -ARG 17 3.800 141.453 115.280 3.020 112.933 -104.320 -PRO 18 3.800 141.213 95.663 1.345 130.835 -148.676 -PRO 19 3.800 129.935 29.022 1.345 127.178 -147.549 -PRO 20 3.800 137.921 -40.752 1.345 121.794 -133.736 -SER 21 3.800 131.497 13.880 1.150 87.056 -74.465 -D 22 3.800 141.660 -110.642 0.000 0.000 0.000 - -Geometry of the virtual chain. - Res d Theta Gamma Dsc Alpha Beta -D 1 0.000 0.000 0.000 0.000 0.000 0.000 -ASN 2 3.800 0.000 0.000 1.684 159.340 158.315 -LEU 3 3.800 73.040 0.000 1.939 151.016 -123.877 -TYR 4 3.800 100.261 -85.003 2.484 135.699 -4.604 -ILE 5 3.800 121.421 53.355 1.776 174.208 -77.272 -GLN 6 3.800 141.683 31.593 2.240 135.681 -82.470 -TRP 7 3.800 89.994 -117.953 2.605 125.755 -96.635 -LEU 8 3.800 131.202 -56.633 1.939 163.279 -108.919 -LYS 9 3.800 85.242 -53.470 2.541 162.187 -107.761 -ASP 10 3.800 112.217 -75.209 1.709 141.022 -30.365 -GLY 11 3.800 110.804 -110.880 0.000 0.000 0.000 -GLY 12 3.800 139.196 78.568 0.000 0.000 0.000 -PRO 13 3.800 89.240 -104.315 1.345 116.373 -125.401 -SER 14 3.800 121.833 -77.437 1.150 100.121 -57.031 -SER 15 3.800 92.257 68.827 1.150 88.522 -66.670 -GLY 16 3.800 121.466 84.004 0.000 0.000 0.000 -ARG 17 3.800 124.932 -171.084 3.020 118.173 29.593 -PRO 18 3.800 142.008 0.484 1.345 131.627 176.971 -PRO 19 3.800 155.656 148.822 1.345 104.342 -105.740 -PRO 20 3.800 71.027 -135.771 1.345 132.130 174.090 -SER 21 3.800 156.437 -83.193 1.150 93.299 -60.797 -D 22 3.800 100.206 -4.171 0.000 0.000 0.000 -CG Processor: 0: bad sampling box. -CG Processor: 0: bad sampling box. -CG Processor: 0: bad sampling box. -CG Processor: 0: bad sampling box. -CG Processor: 0: bad sampling box. -CG Processor: 0: bad sampling box. -CG Processor: 0: bad sampling box. -CG Processor: 0: bad sampling box. -CG Processor: 0: bad sampling box. -CG Processor: 0: bad sampling box. -CG Processor: 0: bad sampling box. -CG Processor: 0: bad sampling box. -CG Processor: 0: bad sampling box. -CG Processor: 0: bad sampling box. -CG Processor: 0: bad sampling box. -CG Processor: 0: bad sampling box. -CG Processor: 0: bad sampling box. -CG Processor: 0: bad sampling box. -CG Processor: 0: bad sampling box. -CG Processor: 0: bad sampling box. -CG Processor: 0: bad sampling box. -CG Processor: 0: bad sampling box. -CG Processor: 0: bad sampling box. -CG Processor: 0: bad sampling box. -CG Processor: 0: bad sampling box. -CG Processor: 0: bad sampling box. -CG Processor: 0: bad sampling box. -CG Processor: 0: bad sampling box. -CG Processor: 0: bad sampling box. -CG Processor: 0: bad sampling box. -CG Processor: 0: bad sampling box. -CG Processor: 0: bad sampling box. -CG Processor: 0: bad sampling box. -CG Processor: 0: bad sampling box. -CG Processor: 0: bad sampling box. -CG Processor: 0: bad sampling box. -CG Processor: 0: bad sampling box. -CG Processor: 0: bad sampling box. -CG Processor: 0: bad sampling box. -CG Processor: 0: bad sampling box. -CG Processor: 0: bad sampling box. -CG Processor: 0: bad sampling box. -CG Processor: 0: bad sampling box. -CG Processor: 0: bad sampling box. -CG Processor: 0: bad sampling box. -CG Processor: 0: bad sampling box. -CG Processor: 0: bad sampling box. -CG Processor: 0: bad sampling box. -CG Processor: 0: bad sampling box. -CG Processor: 0: bad sampling box. -CG Processor: 0: bad sampling box. -CG Processor: 0: bad sampling box. -CG Processor: 0: bad sampling box. -CG Processor: 0: bad sampling box. -CG Processor: 0: bad sampling box. -CG Processor: 0: bad sampling box. -CG Processor: 0: bad sampling box. -CG Processor: 0: bad sampling box. -CG Processor: 0: bad sampling box. -CG Processor: 0: bad sampling box. -CG Processor: 0: bad sampling box. -CG Processor: 0: bad sampling box. -CG Processor: 0: bad sampling box. -CG Processor: 0: bad sampling box. -CG Processor: 0: bad sampling box. -CG Processor: 0: bad sampling box. -CG Processor: 0: bad sampling box. -CG Processor: 0: bad sampling box. -CG Processor: 0: bad sampling box. -CG Processor: 0: bad sampling box. -CG Processor: 0: bad sampling box. -CG Processor: 0: bad sampling box. -CG Processor: 0: bad sampling box. -CG Processor: 0: bad sampling box. -CG Processor: 0: bad sampling box. -CG Processor: 0: bad sampling box. -CG Processor: 0: bad sampling box. -CG Processor: 0: bad sampling box. -CG Processor: 0: bad sampling box. -CG Processor: 0: bad sampling box. -CG Processor: 0: bad sampling box. -CG Processor: 0: bad sampling box. -CG Processor: 0: bad sampling box. -CG Processor: 0: bad sampling box. -CG Processor: 0: bad sampling box. -CG Processor: 0: bad sampling box. -CG Processor: 0: bad sampling box. -CG Processor: 0: bad sampling box. -CG Processor: 0: bad sampling box. -CG Processor: 0: bad sampling box. -CG Processor: 0: bad sampling box. -CG Processor: 0: bad sampling box. -CG Processor: 0: bad sampling box. -CG Processor: 0: bad sampling box. -CG Processor: 0: bad sampling box. -CG Processor: 0: bad sampling box. -CG Processor: 0: bad sampling box. -CG Processor: 0: bad sampling box. -CG Processor: 0: bad sampling box. -CG Processor: 0: bad sampling box. -CG Processor: 0: bad sampling box. - Failed to generate conformation # 147 itrial= 148 - -Geometry of the virtual chain. - Res d Theta Gamma Dsc Alpha Beta -D 1 0.000 0.000 0.000 0.000 0.000 0.000 -ASN 2 3.800 0.000 0.000 1.684 163.799 -8.002 -LEU 3 3.800 115.074 0.000 1.939 135.541 -96.496 -TYR 4 3.800 119.472 -70.876 2.484 140.412 -157.296 -ILE 5 3.800 111.850 16.059 1.776 134.259 -87.836 -GLN 6 3.800 108.121 -18.006 2.240 167.251 155.581 -TRP 7 3.800 125.692 -84.027 2.605 102.627 -17.525 -LEU 8 3.800 103.516 -16.716 1.939 154.891 -150.072 -LYS 9 3.800 130.904 98.486 2.541 139.933 -154.799 -ASP 10 3.800 92.907 61.520 1.709 157.238 -14.253 -GLY 11 3.800 134.655 12.365 0.000 0.000 0.000 -GLY 12 3.800 130.453 -105.547 0.000 0.000 0.000 -PRO 13 3.800 107.580 154.833 1.345 101.373 -111.683 -SER 14 3.800 71.961 70.781 1.150 110.939 -74.711 -SER 15 3.800 88.469 100.645 1.150 98.704 -64.910 -GLY 16 3.800 88.716 166.806 0.000 0.000 0.000 -ARG 17 3.800 117.935 147.380 3.020 113.583 25.433 -PRO 18 3.800 129.115 -48.971 1.345 119.423 -113.734 -PRO 19 3.800 106.236 87.819 1.345 120.323 -133.384 -PRO 20 3.800 127.280 50.725 1.345 101.505 -89.386 -SER 21 3.800 77.989 125.870 1.150 100.403 -75.208 -D 22 3.800 95.325 -49.441 0.000 0.000 0.000 - -Geometry of the virtual chain. - Res d Theta Gamma Dsc Alpha Beta -D 1 0.000 0.000 0.000 0.000 0.000 0.000 -ASN 2 3.800 0.000 0.000 1.684 145.764 -10.979 -LEU 3 3.800 99.942 0.000 1.939 139.881 -155.905 -TYR 4 3.800 113.569 65.684 2.484 139.822 -29.016 -ILE 5 3.800 120.466 -173.561 1.776 172.041 -88.290 -GLN 6 3.800 129.026 9.002 2.240 156.171 -22.548 -TRP 7 3.800 120.971 -140.127 2.605 112.531 -118.954 -LEU 8 3.800 132.765 95.383 1.939 159.389 -42.608 -LYS 9 3.800 103.121 71.134 2.541 151.426 -100.834 -ASP 10 3.800 97.665 80.250 1.709 150.729 7.146 -GLY 11 3.800 112.306 141.749 0.000 0.000 0.000 -GLY 12 3.800 136.130 -157.811 0.000 0.000 0.000 -PRO 13 3.800 127.309 -133.164 1.345 125.416 -131.996 -SER 14 3.800 130.188 179.426 1.150 94.223 -22.707 -SER 15 3.800 146.939 -64.909 1.150 137.820 -46.499 -GLY 16 3.800 112.525 45.699 0.000 0.000 0.000 -ARG 17 3.800 138.566 116.080 3.020 147.168 -178.833 -PRO 18 3.800 86.943 130.781 1.345 121.460 -130.257 -PRO 19 3.800 122.249 -107.702 1.345 128.229 -130.679 -PRO 20 3.800 111.777 -149.181 1.345 125.840 -135.551 -SER 21 3.800 123.433 94.350 1.150 138.657 -92.148 -D 22 3.800 126.208 -0.592 0.000 0.000 0.000 - -Geometry of the virtual chain. - Res d Theta Gamma Dsc Alpha Beta -D 1 0.000 0.000 0.000 0.000 0.000 0.000 -ASN 2 3.800 0.000 0.000 1.684 111.105 -94.405 -LEU 3 3.800 132.735 0.000 1.939 150.362 -92.212 -TYR 4 3.800 112.768 -4.618 2.484 109.045 -88.235 -ILE 5 3.800 141.320 -2.117 1.776 139.924 -71.888 -GLN 6 3.800 86.011 153.566 2.240 156.816 -114.952 -TRP 7 3.800 92.261 -143.997 2.605 139.256 158.690 -LEU 8 3.800 109.283 -13.799 1.939 159.361 -131.153 -LYS 9 3.800 76.099 -53.421 2.541 178.583 -34.686 -ASP 10 3.800 90.126 158.655 1.709 154.566 -21.896 -GLY 11 3.800 128.856 -121.262 0.000 0.000 0.000 -GLY 12 3.800 127.835 31.316 0.000 0.000 0.000 -PRO 13 3.800 111.160 88.790 1.345 129.169 -137.141 -SER 14 3.800 118.888 122.459 1.150 102.617 -67.011 -SER 15 3.800 126.495 -127.066 1.150 128.965 -65.539 -GLY 16 3.800 135.341 136.492 0.000 0.000 0.000 -ARG 17 3.800 103.245 -163.801 3.020 152.075 -76.027 -PRO 18 3.800 140.196 49.230 1.345 115.135 -127.887 -PRO 19 3.800 126.973 133.716 1.345 106.902 -105.050 -PRO 20 3.800 92.127 -36.193 1.345 126.245 -146.042 -SER 21 3.800 129.154 169.489 1.150 96.176 -61.920 -D 22 3.800 92.251 -110.461 0.000 0.000 0.000 - -Geometry of the virtual chain. - Res d Theta Gamma Dsc Alpha Beta -D 1 0.000 0.000 0.000 0.000 0.000 0.000 -ASN 2 3.800 0.000 0.000 1.684 118.845 -83.759 -LEU 3 3.800 126.106 0.000 1.939 154.379 -40.110 -TYR 4 3.800 101.102 114.505 2.484 147.777 7.169 -ILE 5 3.800 123.077 -123.882 1.776 140.180 -81.725 -GLN 6 3.800 91.866 78.056 2.240 138.807 -147.803 -TRP 7 3.800 93.183 93.024 2.605 147.368 -12.583 -LEU 8 3.800 100.132 -111.036 1.939 157.870 -110.710 -LYS 9 3.800 114.214 -25.429 2.541 163.101 -149.274 -ASP 10 3.800 134.879 -78.809 1.709 148.859 -111.229 -GLY 11 3.800 87.316 -111.343 0.000 0.000 0.000 -GLY 12 3.800 125.627 106.908 0.000 0.000 0.000 -PRO 13 3.800 141.351 -138.787 1.345 102.952 -100.105 -SER 14 3.800 74.328 -61.237 1.150 144.028 -40.237 -SER 15 3.800 93.707 -54.024 1.150 102.495 -82.569 -GLY 16 3.800 104.429 -4.639 0.000 0.000 0.000 -ARG 17 3.800 140.903 -110.831 3.020 140.851 -85.657 -PRO 18 3.800 87.833 -174.965 1.345 103.442 -133.159 -PRO 19 3.800 107.804 -53.942 1.345 118.309 -108.822 -PRO 20 3.800 94.172 -161.779 1.345 103.419 -118.819 -SER 21 3.800 96.659 16.199 1.150 132.622 -124.179 -D 22 3.800 143.421 111.843 0.000 0.000 0.000 - -Geometry of the virtual chain. - Res d Theta Gamma Dsc Alpha Beta -D 1 0.000 0.000 0.000 0.000 0.000 0.000 -ASN 2 3.800 0.000 0.000 1.684 104.621 -79.669 -LEU 3 3.800 116.690 0.000 1.939 146.343 -97.928 -TYR 4 3.800 101.387 130.125 2.484 102.567 -79.521 -ILE 5 3.800 158.015 -88.260 1.776 137.105 -91.857 -GLN 6 3.800 152.358 0.493 2.240 178.758 -120.180 -TRP 7 3.800 142.708 -150.097 2.605 141.339 29.782 -LEU 8 3.800 118.405 140.080 1.939 138.510 -114.198 -LYS 9 3.800 121.671 -36.769 2.541 141.124 -94.856 -ASP 10 3.800 92.750 10.802 1.709 162.348 -27.748 -GLY 11 3.800 91.141 100.017 0.000 0.000 0.000 -GLY 12 3.800 152.769 61.655 0.000 0.000 0.000 -PRO 13 3.800 127.913 -66.470 1.345 102.721 -134.506 -SER 14 3.800 101.507 3.464 1.150 141.056 -48.095 -SER 15 3.800 106.938 -77.508 1.150 150.231 -158.636 -GLY 16 3.800 114.972 -25.138 0.000 0.000 0.000 -ARG 17 3.800 120.541 125.277 3.020 103.511 57.610 -PRO 18 3.800 154.457 -35.098 1.345 115.655 -109.113 -PRO 19 3.800 113.516 49.332 1.345 101.505 -117.850 -PRO 20 3.800 88.906 -26.011 1.345 107.150 -128.917 -SER 21 3.800 101.444 86.970 1.150 103.781 -64.622 -D 22 3.800 116.396 17.986 0.000 0.000 0.000 - -Geometry of the virtual chain. - Res d Theta Gamma Dsc Alpha Beta -D 1 0.000 0.000 0.000 0.000 0.000 0.000 -ASN 2 3.800 0.000 0.000 1.684 146.126 -134.293 -LEU 3 3.800 110.874 0.000 1.939 137.314 -155.111 -TYR 4 3.800 104.219 -1.541 2.484 156.229 -159.817 -ILE 5 3.800 111.028 -164.794 1.776 155.693 -65.297 -GLN 6 3.800 88.879 89.081 2.240 134.682 -138.183 -TRP 7 3.800 129.530 -175.985 2.605 97.819 -90.013 -LEU 8 3.800 132.194 170.530 1.939 138.996 -145.120 -LYS 9 3.800 122.270 -126.409 2.541 163.494 141.338 -ASP 10 3.800 104.046 -50.428 1.709 126.394 -66.387 -GLY 11 3.800 101.809 -35.876 0.000 0.000 0.000 -GLY 12 3.800 96.677 -28.575 0.000 0.000 0.000 -PRO 13 3.800 128.502 -73.236 1.345 126.785 -125.927 -SER 14 3.800 112.072 -104.011 1.150 129.235 -76.247 -SER 15 3.800 108.506 111.357 1.150 136.068 -104.714 -GLY 16 3.800 135.616 153.059 0.000 0.000 0.000 -ARG 17 3.800 111.992 -55.431 3.020 165.737 71.927 -PRO 18 3.800 110.859 -151.805 1.345 116.985 -125.718 -PRO 19 3.800 121.255 -26.587 1.345 90.234 -114.141 -PRO 20 3.800 85.933 -65.902 1.345 119.366 -138.251 -SER 21 3.800 128.793 4.781 1.150 137.091 -101.366 -D 22 3.800 110.393 127.145 0.000 0.000 0.000 - -Geometry of the virtual chain. - Res d Theta Gamma Dsc Alpha Beta -D 1 0.000 0.000 0.000 0.000 0.000 0.000 -ASN 2 3.800 0.000 0.000 1.684 141.417 -159.317 -LEU 3 3.800 86.062 0.000 1.939 158.328 -131.302 -TYR 4 3.800 88.402 -101.619 2.484 151.831 -169.278 -ILE 5 3.800 109.807 -114.467 1.776 152.694 -88.303 -GLN 6 3.800 145.144 137.312 2.240 134.804 -73.620 -TRP 7 3.800 139.287 35.220 2.605 151.668 -140.611 -LEU 8 3.800 117.662 -162.034 1.939 147.711 -134.654 -LYS 9 3.800 111.240 -90.189 2.541 155.621 -144.449 -ASP 10 3.800 145.425 87.512 1.709 152.750 -8.668 -GLY 11 3.800 129.965 175.065 0.000 0.000 0.000 -GLY 12 3.800 118.685 158.077 0.000 0.000 0.000 -PRO 13 3.800 110.891 118.796 1.345 112.001 -134.098 -SER 14 3.800 106.583 144.102 1.150 96.574 -79.932 -SER 15 3.800 95.981 -123.758 1.150 141.140 -72.041 -GLY 16 3.800 132.576 66.193 0.000 0.000 0.000 -ARG 17 3.800 159.819 88.028 3.020 132.105 -94.458 -PRO 18 3.800 143.290 -88.802 1.345 144.613 117.554 -PRO 19 3.800 165.361 48.564 1.345 133.847 175.411 -PRO 20 3.800 153.721 7.966 1.345 102.298 -122.398 -SER 21 3.800 97.724 -29.085 1.150 152.074 -121.578 -D 22 3.800 103.651 146.562 0.000 0.000 0.000 - -Geometry of the virtual chain. - Res d Theta Gamma Dsc Alpha Beta -D 1 0.000 0.000 0.000 0.000 0.000 0.000 -ASN 2 3.800 0.000 0.000 1.684 157.036 -1.766 -LEU 3 3.800 128.455 0.000 1.939 154.277 -130.848 -TYR 4 3.800 119.264 -30.912 2.484 118.465 -25.699 -ILE 5 3.800 128.032 30.573 1.776 135.207 -63.194 -GLN 6 3.800 144.747 -137.000 2.240 129.838 -65.255 -TRP 7 3.800 91.802 109.658 2.605 144.488 174.242 -LEU 8 3.800 124.100 91.627 1.939 159.153 -31.622 -LYS 9 3.800 104.795 163.202 2.541 139.139 -98.954 -ASP 10 3.800 119.994 134.524 1.709 119.682 -75.895 -GLY 11 3.800 135.165 130.088 0.000 0.000 0.000 -GLY 12 3.800 140.416 -112.973 0.000 0.000 0.000 -PRO 13 3.800 137.082 24.380 1.345 131.789 -137.822 -SER 14 3.800 116.824 -71.217 1.150 137.299 -76.179 -SER 15 3.800 100.270 -29.719 1.150 138.434 -30.389 -GLY 16 3.800 94.468 -88.185 0.000 0.000 0.000 -ARG 17 3.800 122.974 33.804 3.020 137.987 -2.370 -PRO 18 3.800 115.028 163.275 1.345 130.535 -155.811 -PRO 19 3.800 131.975 6.846 1.345 118.679 -136.898 -PRO 20 3.800 124.875 47.209 1.345 119.090 -116.832 -SER 21 3.800 101.589 85.256 1.150 97.678 -62.438 -D 22 3.800 123.324 18.120 0.000 0.000 0.000 - -Geometry of the virtual chain. - Res d Theta Gamma Dsc Alpha Beta -D 1 0.000 0.000 0.000 0.000 0.000 0.000 -ASN 2 3.800 0.000 0.000 1.684 153.220 5.867 -LEU 3 3.800 115.387 0.000 1.939 126.084 -33.705 -TYR 4 3.800 117.806 46.842 2.484 94.507 -64.329 -ILE 5 3.800 152.371 -95.564 1.776 166.870 -105.001 -GLN 6 3.800 97.540 15.197 2.240 148.482 -66.973 -TRP 7 3.800 118.078 179.312 2.605 39.983 -29.536 -LEU 8 3.800 171.000 145.197 1.939 144.390 -167.289 -LYS 9 3.800 110.653 -88.462 2.541 146.299 -10.276 -ASP 10 3.800 111.749 158.546 1.709 97.770 -85.894 -GLY 11 3.800 88.025 65.599 0.000 0.000 0.000 -GLY 12 3.800 119.960 -12.771 0.000 0.000 0.000 -PRO 13 3.800 108.775 -117.990 1.345 102.195 -103.637 -SER 14 3.800 102.560 59.071 1.150 153.602 -107.033 -SER 15 3.800 98.729 -7.320 1.150 95.604 -61.016 -GLY 16 3.800 132.840 179.527 0.000 0.000 0.000 -ARG 17 3.800 129.527 -43.700 3.020 147.518 -128.748 -PRO 18 3.800 112.022 -35.899 1.345 124.770 -143.194 -PRO 19 3.800 126.069 -141.121 1.345 112.999 -110.601 -PRO 20 3.800 121.854 -104.174 1.345 121.622 -132.681 -SER 21 3.800 117.213 -62.807 1.150 146.246 6.104 -D 22 3.800 136.392 -105.351 0.000 0.000 0.000 - -Geometry of the virtual chain. - Res d Theta Gamma Dsc Alpha Beta -D 1 0.000 0.000 0.000 0.000 0.000 0.000 -ASN 2 3.800 0.000 0.000 1.684 118.255 -87.971 -LEU 3 3.800 102.065 0.000 1.939 145.802 -102.866 -TYR 4 3.800 83.886 51.673 2.484 122.451 -119.972 -ILE 5 3.800 126.179 -91.008 1.776 142.035 -81.279 -GLN 6 3.800 97.600 106.888 2.240 142.368 -76.634 -TRP 7 3.800 140.506 90.942 2.605 154.454 -8.547 -LEU 8 3.800 95.367 132.042 1.939 136.390 -66.714 -LYS 9 3.800 148.244 44.897 2.541 155.946 -130.773 -ASP 10 3.800 106.127 -169.122 1.709 132.607 -94.229 -GLY 11 3.800 109.102 -28.630 0.000 0.000 0.000 -GLY 12 3.800 130.890 -22.524 0.000 0.000 0.000 -PRO 13 3.800 97.739 -11.500 1.345 128.026 -155.360 -SER 14 3.800 140.654 171.542 1.150 100.759 -72.212 -SER 15 3.800 87.997 -138.383 1.150 100.872 -61.397 -GLY 16 3.800 135.803 -133.409 0.000 0.000 0.000 -ARG 17 3.800 117.995 13.822 3.020 139.841 141.910 -PRO 18 3.800 120.302 113.539 1.345 101.426 -103.814 -PRO 19 3.800 89.807 -26.231 1.345 114.874 -88.959 -PRO 20 3.800 55.369 -26.424 1.345 88.221 -111.182 -SER 21 3.800 89.083 -165.363 1.150 128.156 -168.431 -D 22 3.800 133.644 -31.529 0.000 0.000 0.000 - -Geometry of the virtual chain. - Res d Theta Gamma Dsc Alpha Beta -D 1 0.000 0.000 0.000 0.000 0.000 0.000 -ASN 2 3.800 0.000 0.000 1.684 152.331 -16.045 -LEU 3 3.800 96.693 0.000 1.939 48.879 83.065 -TYR 4 3.800 171.000 -153.778 2.484 144.478 -160.084 -ILE 5 3.800 118.756 38.174 1.776 156.741 -140.664 -GLN 6 3.800 122.078 34.069 2.240 127.492 -179.699 -TRP 7 3.800 119.658 142.394 2.605 144.752 9.578 -LEU 8 3.800 85.986 -47.717 1.939 134.491 -96.482 -LYS 9 3.800 113.822 -111.202 2.541 151.153 -72.206 -ASP 10 3.800 105.561 -83.904 1.709 154.623 -15.390 -GLY 11 3.800 93.782 -72.847 0.000 0.000 0.000 -GLY 12 3.800 121.961 -149.392 0.000 0.000 0.000 -PRO 13 3.800 114.526 -122.301 1.345 125.258 -136.106 -SER 14 3.800 124.287 49.488 1.150 156.552 -71.638 -SER 15 3.800 125.285 93.775 1.150 134.797 -114.885 -GLY 16 3.800 93.776 -88.405 0.000 0.000 0.000 -ARG 17 3.800 97.020 -99.792 3.020 158.312 -9.112 -PRO 18 3.800 118.901 -95.623 1.345 93.398 -86.332 -PRO 19 3.800 83.605 -105.067 1.345 143.091 -167.083 -PRO 20 3.800 135.849 161.153 1.345 99.535 -121.167 -SER 21 3.800 98.104 130.627 1.150 141.907 -120.979 -D 22 3.800 125.717 -50.048 0.000 0.000 0.000 - -Geometry of the virtual chain. - Res d Theta Gamma Dsc Alpha Beta -D 1 0.000 0.000 0.000 0.000 0.000 0.000 -ASN 2 3.800 0.000 0.000 1.684 149.472 -49.324 -LEU 3 3.800 107.515 0.000 1.939 130.353 -112.203 -TYR 4 3.800 137.467 -85.678 2.484 122.830 -92.337 -ILE 5 3.800 104.867 141.149 1.776 143.683 -95.589 -GLN 6 3.800 156.536 7.909 2.240 147.526 -114.988 -TRP 7 3.800 137.580 61.420 2.605 159.068 173.012 -LEU 8 3.800 106.383 69.214 1.939 155.186 -24.858 -LYS 9 3.800 114.023 -87.632 2.541 137.299 -159.454 -ASP 10 3.800 126.213 156.064 1.709 119.309 -87.210 -GLY 11 3.800 127.568 -12.357 0.000 0.000 0.000 -GLY 12 3.800 108.196 16.138 0.000 0.000 0.000 -PRO 13 3.800 129.250 -58.900 1.345 123.466 -124.149 -SER 14 3.800 108.596 -23.268 1.150 133.675 -37.797 -SER 15 3.800 109.709 70.435 1.150 137.244 -54.472 -GLY 16 3.800 126.613 -148.049 0.000 0.000 0.000 -ARG 17 3.800 98.002 -17.681 3.020 132.558 -20.355 -PRO 18 3.800 112.666 173.413 1.345 113.676 -108.010 -PRO 19 3.800 112.945 -168.608 1.345 96.478 -109.422 -PRO 20 3.800 90.368 27.185 1.345 128.569 -158.447 -SER 21 3.800 143.103 -43.757 1.150 134.402 -65.093 -D 22 3.800 107.488 -50.810 0.000 0.000 0.000 - -Geometry of the virtual chain. - Res d Theta Gamma Dsc Alpha Beta -D 1 0.000 0.000 0.000 0.000 0.000 0.000 -ASN 2 3.800 0.000 0.000 1.684 152.702 -148.505 -LEU 3 3.800 100.487 0.000 1.939 127.865 -58.314 -TYR 4 3.800 155.930 -171.221 2.484 127.278 -140.097 -ILE 5 3.800 118.723 107.588 1.776 150.140 -84.759 -GLN 6 3.800 88.884 43.044 2.240 151.622 -173.810 -TRP 7 3.800 84.021 -123.221 2.605 103.750 -67.157 -LEU 8 3.800 127.661 -52.414 1.939 138.716 -60.294 -LYS 9 3.800 127.461 -2.880 2.541 135.200 -44.819 -ASP 10 3.800 91.873 -1.094 1.709 130.753 -76.196 -GLY 11 3.800 98.783 118.765 0.000 0.000 0.000 -GLY 12 3.800 128.546 -14.070 0.000 0.000 0.000 -PRO 13 3.800 136.492 168.263 1.345 126.863 -134.053 -SER 14 3.800 130.090 -43.722 1.150 130.950 -98.138 -SER 15 3.800 102.832 141.566 1.150 84.708 -69.355 -GLY 16 3.800 130.927 -22.679 0.000 0.000 0.000 -ARG 17 3.800 121.433 -80.855 3.020 128.948 -79.916 -PRO 18 3.800 143.914 -141.954 1.345 114.259 -110.733 -PRO 19 3.800 116.259 -144.539 1.345 131.012 -158.615 -PRO 20 3.800 132.401 -73.817 1.345 123.650 -137.603 -SER 21 3.800 138.422 9.264 1.150 87.896 -51.398 -D 22 3.800 154.428 -99.088 0.000 0.000 0.000 - -Geometry of the virtual chain. - Res d Theta Gamma Dsc Alpha Beta -D 1 0.000 0.000 0.000 0.000 0.000 0.000 -ASN 2 3.800 0.000 0.000 1.684 143.857 -128.976 -LEU 3 3.800 106.475 0.000 1.939 144.799 -48.917 -TYR 4 3.800 114.903 -1.737 2.484 144.971 -155.258 -ILE 5 3.800 104.230 -45.066 1.776 131.344 -82.045 -GLN 6 3.800 155.368 -127.460 2.240 153.360 177.949 -TRP 7 3.800 88.028 9.818 2.605 129.080 -29.129 -LEU 8 3.800 103.577 -44.555 1.939 131.931 -64.722 -LYS 9 3.800 145.641 -143.977 2.541 167.461 -78.729 -ASP 10 3.800 136.163 89.031 1.709 126.664 -97.723 -GLY 11 3.800 112.038 93.109 0.000 0.000 0.000 -GLY 12 3.800 110.201 137.354 0.000 0.000 0.000 -PRO 13 3.800 114.258 35.606 1.345 116.385 -120.986 -SER 14 3.800 115.169 125.984 1.150 106.682 -71.868 -SER 15 3.800 117.952 101.570 1.150 104.904 -67.438 -GLY 16 3.800 111.601 103.626 0.000 0.000 0.000 -ARG 17 3.800 169.429 -51.450 3.020 130.995 178.261 -PRO 18 3.800 94.867 -130.468 1.345 105.612 -113.776 -PRO 19 3.800 126.312 -3.568 1.345 142.458 124.901 -PRO 20 3.800 164.012 11.324 1.345 118.361 -119.046 -SER 21 3.800 109.780 34.507 1.150 104.684 -69.700 -D 22 3.800 109.126 78.174 0.000 0.000 0.000 - -Geometry of the virtual chain. - Res d Theta Gamma Dsc Alpha Beta -D 1 0.000 0.000 0.000 0.000 0.000 0.000 -ASN 2 3.800 0.000 0.000 1.684 131.655 -113.253 -LEU 3 3.800 112.065 0.000 1.939 125.023 -94.239 -TYR 4 3.800 127.924 -19.417 2.484 118.081 -30.009 -ILE 5 3.800 102.559 103.344 1.776 150.273 -21.072 -GLN 6 3.800 117.742 47.323 2.240 162.042 -24.031 -TRP 7 3.800 131.971 -55.817 2.605 105.783 -110.744 -LEU 8 3.800 121.415 -41.910 1.939 147.764 -24.031 -LYS 9 3.800 107.177 -72.596 2.541 147.771 -87.932 -ASP 10 3.800 113.064 -149.609 1.709 137.579 -113.380 -GLY 11 3.800 98.223 22.846 0.000 0.000 0.000 -GLY 12 3.800 120.530 -161.964 0.000 0.000 0.000 -PRO 13 3.800 116.193 -81.993 1.345 137.153 150.087 -SER 14 3.800 160.491 -141.937 1.150 75.544 -60.353 -SER 15 3.800 154.383 -128.905 1.150 136.416 -124.693 -GLY 16 3.800 106.560 169.828 0.000 0.000 0.000 -ARG 17 3.800 105.936 174.719 3.020 148.569 -54.212 -PRO 18 3.800 114.997 -138.873 1.345 122.053 -125.207 -PRO 19 3.800 114.851 85.307 1.345 148.005 121.356 -PRO 20 3.800 164.618 143.521 1.345 126.058 -136.942 -SER 21 3.800 126.603 7.567 1.150 139.179 -30.049 -D 22 3.800 116.388 5.665 0.000 0.000 0.000 - -Geometry of the virtual chain. - Res d Theta Gamma Dsc Alpha Beta -D 1 0.000 0.000 0.000 0.000 0.000 0.000 -ASN 2 3.800 0.000 0.000 1.684 99.461 -86.363 -LEU 3 3.800 144.012 0.000 1.939 170.990 -128.202 -TYR 4 3.800 94.541 106.299 2.484 120.307 -145.334 -ILE 5 3.800 131.866 -113.417 1.776 125.743 -76.971 -GLN 6 3.800 83.527 73.818 2.240 121.214 -56.861 -TRP 7 3.800 94.045 -159.045 2.605 99.424 -79.493 -LEU 8 3.800 151.425 15.376 1.939 151.695 -13.549 -LYS 9 3.800 95.258 75.584 2.541 104.912 -106.089 -ASP 10 3.800 143.641 -126.588 1.709 154.647 16.085 -GLY 11 3.800 119.707 -42.250 0.000 0.000 0.000 -GLY 12 3.800 104.052 78.656 0.000 0.000 0.000 -PRO 13 3.800 112.265 85.879 1.345 98.738 -94.873 -SER 14 3.800 71.499 -153.468 1.150 94.223 -69.032 -SER 15 3.800 91.587 109.707 1.150 98.755 -80.180 -GLY 16 3.800 87.297 160.230 0.000 0.000 0.000 -ARG 17 3.800 112.070 -6.803 3.020 142.013 -84.104 -PRO 18 3.800 101.302 98.559 1.345 120.977 -140.483 -PRO 19 3.800 134.278 -153.346 1.345 120.250 -130.626 -PRO 20 3.800 131.931 -149.733 1.345 112.829 -131.887 -SER 21 3.800 131.259 -12.007 1.150 101.425 -70.211 -D 22 3.800 90.685 -139.817 0.000 0.000 0.000 - -Geometry of the virtual chain. - Res d Theta Gamma Dsc Alpha Beta -D 1 0.000 0.000 0.000 0.000 0.000 0.000 -ASN 2 3.800 0.000 0.000 1.684 132.867 -128.323 -LEU 3 3.800 99.196 0.000 1.939 169.326 -174.186 -TYR 4 3.800 95.804 -24.272 2.484 109.441 -112.087 -ILE 5 3.800 110.684 -38.263 1.776 166.935 -150.043 -GLN 6 3.800 124.578 -175.823 2.240 156.451 -27.863 -TRP 7 3.800 120.621 -1.999 2.605 98.371 -111.380 -LEU 8 3.800 133.000 159.701 1.939 157.948 -167.934 -LYS 9 3.800 96.686 -137.279 2.541 156.696 31.335 -ASP 10 3.800 119.441 123.852 1.709 112.738 -84.713 -GLY 11 3.800 144.841 40.807 0.000 0.000 0.000 -GLY 12 3.800 104.456 157.745 0.000 0.000 0.000 -PRO 13 3.800 111.299 108.171 1.345 101.083 -130.371 -SER 14 3.800 103.067 -91.883 1.150 136.435 -0.292 -SER 15 3.800 126.550 -112.068 1.150 140.287 -26.389 -GLY 16 3.800 96.292 48.846 0.000 0.000 0.000 -ARG 17 3.800 119.518 -45.902 3.020 133.795 -79.110 -PRO 18 3.800 124.910 -35.499 1.345 120.320 -116.406 -PRO 19 3.800 106.691 -64.226 1.345 120.819 -114.162 -PRO 20 3.800 109.947 29.649 1.345 100.284 -114.909 -SER 21 3.800 105.393 162.492 1.150 102.634 -79.241 -D 22 3.800 106.698 30.150 0.000 0.000 0.000 - -Geometry of the virtual chain. - Res d Theta Gamma Dsc Alpha Beta -D 1 0.000 0.000 0.000 0.000 0.000 0.000 -ASN 2 3.800 0.000 0.000 1.684 150.988 -149.939 -LEU 3 3.800 88.561 0.000 1.939 132.230 -80.650 -TYR 4 3.800 119.400 172.025 2.484 134.660 -14.513 -ILE 5 3.800 129.031 -88.636 1.776 166.034 176.691 -GLN 6 3.800 119.964 -92.966 2.240 172.859 -178.530 -TRP 7 3.800 125.169 96.666 2.605 105.664 -28.213 -LEU 8 3.800 114.691 173.692 1.939 151.457 -146.778 -LYS 9 3.800 125.288 -14.501 2.541 137.675 126.288 -ASP 10 3.800 116.044 -51.827 1.709 118.712 -90.326 -GLY 11 3.800 73.574 6.363 0.000 0.000 0.000 -GLY 12 3.800 116.964 145.503 0.000 0.000 0.000 -PRO 13 3.800 133.191 57.556 1.345 134.524 -170.119 -SER 14 3.800 143.482 23.766 1.150 123.340 -87.359 -SER 15 3.800 124.826 -93.079 1.150 103.284 -65.770 -GLY 16 3.800 97.091 -89.301 0.000 0.000 0.000 -ARG 17 3.800 122.147 77.044 3.020 134.840 -61.582 -PRO 18 3.800 117.976 -31.161 1.345 97.059 -93.616 -PRO 19 3.800 88.883 156.833 1.345 115.976 -124.564 -PRO 20 3.800 107.063 -120.132 1.345 94.002 -121.488 -SER 21 3.800 76.262 35.403 1.150 149.206 -28.826 -D 22 3.800 106.630 117.995 0.000 0.000 0.000 - -Geometry of the virtual chain. - Res d Theta Gamma Dsc Alpha Beta -D 1 0.000 0.000 0.000 0.000 0.000 0.000 -ASN 2 3.800 0.000 0.000 1.684 137.206 -113.281 -LEU 3 3.800 102.106 0.000 1.939 163.388 -94.707 -TYR 4 3.800 98.394 148.794 2.484 104.773 -65.673 -ILE 5 3.800 138.865 155.830 1.776 138.617 -83.087 -GLN 6 3.800 140.005 85.927 2.240 113.926 -73.252 -TRP 7 3.800 92.502 41.115 2.605 162.386 -96.122 -LEU 8 3.800 114.643 -37.350 1.939 148.958 -120.668 -LYS 9 3.800 129.019 -169.263 2.541 146.567 -161.787 -ASP 10 3.800 118.432 39.915 1.709 124.715 -72.187 -GLY 11 3.800 134.986 -6.086 0.000 0.000 0.000 -GLY 12 3.800 152.383 108.452 0.000 0.000 0.000 -PRO 13 3.800 109.000 -1.992 1.345 104.598 -115.336 -SER 14 3.800 76.142 -34.769 1.150 125.286 -31.766 -SER 15 3.800 125.949 -97.825 1.150 101.315 -67.464 -GLY 16 3.800 138.018 105.178 0.000 0.000 0.000 -ARG 17 3.800 94.399 -109.616 3.020 140.195 -140.992 -PRO 18 3.800 134.936 8.680 1.345 123.189 -149.684 -PRO 19 3.800 139.092 8.881 1.345 121.493 -128.876 -PRO 20 3.800 115.230 -74.941 1.345 125.786 -139.250 -SER 21 3.800 120.787 43.471 1.150 139.943 -98.859 -D 22 3.800 92.963 -4.821 0.000 0.000 0.000 - -Geometry of the virtual chain. - Res d Theta Gamma Dsc Alpha Beta -D 1 0.000 0.000 0.000 0.000 0.000 0.000 -ASN 2 3.800 0.000 0.000 1.684 151.080 -115.632 -LEU 3 3.800 109.872 0.000 1.939 143.890 -141.531 -TYR 4 3.800 131.484 -165.007 2.484 148.043 176.073 -ILE 5 3.800 104.444 111.632 1.776 138.134 -69.913 -GLN 6 3.800 156.740 170.931 2.240 178.013 -66.209 -TRP 7 3.800 155.194 -91.743 2.605 147.684 -177.074 -LEU 8 3.800 121.383 9.538 1.939 147.811 -87.890 -LYS 9 3.800 125.319 -56.889 2.541 145.963 175.187 -ASP 10 3.800 106.184 152.053 1.709 110.513 -94.072 -GLY 11 3.800 122.657 -59.596 0.000 0.000 0.000 -GLY 12 3.800 128.426 -123.194 0.000 0.000 0.000 -PRO 13 3.800 125.376 -157.294 1.345 113.735 -119.847 -SER 14 3.800 113.246 -55.710 1.150 136.201 -36.504 -SER 15 3.800 104.337 -137.661 1.150 142.155 -72.441 -GLY 16 3.800 94.193 96.587 0.000 0.000 0.000 -ARG 17 3.800 113.991 -127.493 3.020 145.020 131.918 -PRO 18 3.800 81.062 5.951 1.345 114.381 -113.666 -PRO 19 3.800 99.844 148.152 1.345 137.073 -162.304 -PRO 20 3.800 128.828 -103.142 1.345 123.110 -130.577 -SER 21 3.800 115.756 -169.137 1.150 86.185 -59.895 -D 22 3.800 150.023 70.846 0.000 0.000 0.000 - -Geometry of the virtual chain. - Res d Theta Gamma Dsc Alpha Beta -D 1 0.000 0.000 0.000 0.000 0.000 0.000 -ASN 2 3.800 0.000 0.000 1.684 166.137 -30.704 -LEU 3 3.800 110.894 0.000 1.939 154.269 -122.305 -TYR 4 3.800 95.565 -25.130 2.484 138.855 -115.104 -ILE 5 3.800 127.753 -35.813 1.776 142.122 -96.482 -GLN 6 3.800 114.560 38.347 2.240 142.942 -107.931 -TRP 7 3.800 94.377 64.809 2.605 159.545 119.557 -LEU 8 3.800 101.687 -178.221 1.939 149.262 -8.765 -LYS 9 3.800 115.539 167.406 2.541 167.467 -32.621 -ASP 10 3.800 106.009 -23.900 1.709 123.981 -122.252 -GLY 11 3.800 110.066 127.661 0.000 0.000 0.000 -GLY 12 3.800 123.231 15.859 0.000 0.000 0.000 -PRO 13 3.800 132.911 111.327 1.345 116.814 -122.753 -SER 14 3.800 122.664 158.188 1.150 116.673 -70.263 -SER 15 3.800 106.215 -95.533 1.150 136.999 -153.728 -GLY 16 3.800 95.994 -15.504 0.000 0.000 0.000 -ARG 17 3.800 132.629 95.665 3.020 161.861 104.470 -PRO 18 3.800 125.571 -72.438 1.345 123.431 -135.316 -PRO 19 3.800 122.043 117.050 1.345 119.553 -125.210 -PRO 20 3.800 110.849 137.990 1.345 118.152 -122.523 -SER 21 3.800 116.115 -85.903 1.150 113.376 -61.279 -D 22 3.800 145.988 -96.520 0.000 0.000 0.000 - -Geometry of the virtual chain. - Res d Theta Gamma Dsc Alpha Beta -D 1 0.000 0.000 0.000 0.000 0.000 0.000 -ASN 2 3.800 0.000 0.000 1.684 144.803 -140.622 -LEU 3 3.800 94.087 0.000 1.939 136.751 -133.862 -TYR 4 3.800 114.012 58.330 2.484 128.823 -12.014 -ILE 5 3.800 144.924 118.999 1.776 166.261 -127.407 -GLN 6 3.800 137.186 124.263 2.240 164.841 -121.697 -TRP 7 3.800 131.208 -12.785 2.605 147.327 147.025 -LEU 8 3.800 100.569 -123.389 1.939 136.565 -47.521 -LYS 9 3.800 129.206 14.941 2.541 124.437 -107.985 -ASP 10 3.800 132.765 -114.091 1.709 139.486 -101.774 -GLY 11 3.800 91.240 -28.027 0.000 0.000 0.000 -GLY 12 3.800 132.192 -61.032 0.000 0.000 0.000 -PRO 13 3.800 149.079 -30.423 1.345 109.910 -126.129 -SER 14 3.800 104.948 -65.595 1.150 140.808 -77.600 -SER 15 3.800 118.887 174.649 1.150 103.043 -72.015 -GLY 16 3.800 99.244 -107.879 0.000 0.000 0.000 -ARG 17 3.800 116.304 -65.700 3.020 144.022 -139.864 -PRO 18 3.800 115.542 -84.032 1.345 131.436 172.587 -PRO 19 3.800 156.086 92.659 1.345 95.111 -104.080 -PRO 20 3.800 81.243 -111.591 1.345 117.557 -135.331 -SER 21 3.800 127.256 -147.734 1.150 125.834 -37.333 -D 22 3.800 101.131 -173.732 0.000 0.000 0.000 - -Geometry of the virtual chain. - Res d Theta Gamma Dsc Alpha Beta -D 1 0.000 0.000 0.000 0.000 0.000 0.000 -ASN 2 3.800 0.000 0.000 1.684 118.797 -89.836 -LEU 3 3.800 130.921 0.000 1.939 132.687 -135.902 -TYR 4 3.800 140.465 24.402 2.484 143.676 -5.898 -ILE 5 3.800 103.697 169.352 1.776 145.522 -70.699 -GLN 6 3.800 84.094 174.349 2.240 178.025 106.450 -TRP 7 3.800 171.000 -39.483 2.605 151.268 -160.099 -LEU 8 3.800 95.493 -52.636 1.939 148.806 -18.640 -LYS 9 3.800 123.761 -92.878 2.541 161.439 164.333 -ASP 10 3.800 107.555 22.458 1.709 161.255 12.391 -GLY 11 3.800 101.164 -157.841 0.000 0.000 0.000 -GLY 12 3.800 99.546 97.986 0.000 0.000 0.000 -PRO 13 3.800 125.837 -72.156 1.345 119.671 -130.911 -SER 14 3.800 137.649 -42.794 1.150 119.306 -110.051 -SER 15 3.800 142.143 53.632 1.150 89.458 -56.203 -GLY 16 3.800 145.758 17.316 0.000 0.000 0.000 -ARG 17 3.800 107.071 94.506 3.020 143.248 -74.063 -PRO 18 3.800 130.011 88.072 1.345 99.641 -126.852 -PRO 19 3.800 86.216 -72.554 1.345 124.681 -155.195 -PRO 20 3.800 142.874 -19.618 1.345 117.893 -116.180 -SER 21 3.800 105.849 -145.736 1.150 144.943 -73.478 -D 22 3.800 138.726 166.395 0.000 0.000 0.000 - -Geometry of the virtual chain. - Res d Theta Gamma Dsc Alpha Beta -D 1 0.000 0.000 0.000 0.000 0.000 0.000 -ASN 2 3.800 0.000 0.000 1.684 159.513 -7.325 -LEU 3 3.800 125.198 0.000 1.939 142.084 -128.339 -TYR 4 3.800 134.136 111.231 2.484 146.975 -148.655 -ILE 5 3.800 116.706 -106.588 1.776 138.287 -80.642 -GLN 6 3.800 89.219 -5.925 2.240 162.052 145.793 -TRP 7 3.800 109.957 156.659 2.605 138.896 -113.988 -LEU 8 3.800 136.400 4.588 1.939 150.251 -106.789 -LYS 9 3.800 134.180 -73.127 2.541 159.781 8.592 -ASP 10 3.800 141.342 -47.435 1.709 154.314 8.480 -GLY 11 3.800 125.151 31.425 0.000 0.000 0.000 -GLY 12 3.800 94.314 152.254 0.000 0.000 0.000 -PRO 13 3.800 120.102 -37.081 1.345 144.525 150.034 -SER 14 3.800 158.191 -67.084 1.150 147.887 -126.583 -SER 15 3.800 108.123 -32.291 1.150 144.779 -39.381 -GLY 16 3.800 133.355 -91.286 0.000 0.000 0.000 -ARG 17 3.800 95.972 160.962 3.020 120.359 -78.344 -PRO 18 3.800 150.185 139.318 1.345 123.512 -131.389 -PRO 19 3.800 112.834 -163.946 1.345 102.699 -111.081 -PRO 20 3.800 81.832 172.071 1.345 101.001 -95.403 -SER 21 3.800 99.994 119.305 1.150 109.406 -62.711 -D 22 3.800 91.125 -4.416 0.000 0.000 0.000 - -Geometry of the virtual chain. - Res d Theta Gamma Dsc Alpha Beta -D 1 0.000 0.000 0.000 0.000 0.000 0.000 -ASN 2 3.800 0.000 0.000 1.684 135.029 -98.674 -LEU 3 3.800 100.415 0.000 1.939 155.424 -42.844 -TYR 4 3.800 127.448 -34.253 2.484 148.844 169.215 -ILE 5 3.800 128.332 105.706 1.776 135.659 -76.306 -GLN 6 3.800 101.856 97.786 2.240 154.157 -12.795 -TRP 7 3.800 148.852 -133.681 2.605 128.252 178.721 -LEU 8 3.800 118.058 -142.527 1.939 130.692 -88.826 -LYS 9 3.800 126.508 -34.536 2.541 120.995 -70.578 -ASP 10 3.800 145.584 18.520 1.709 153.803 0.945 -GLY 11 3.800 127.077 122.486 0.000 0.000 0.000 -GLY 12 3.800 87.425 -42.589 0.000 0.000 0.000 -PRO 13 3.800 144.401 110.674 1.345 115.969 -123.065 -SER 14 3.800 118.052 -8.529 1.150 113.026 -66.781 -SER 15 3.800 79.580 -29.934 1.150 153.386 -74.296 -GLY 16 3.800 106.462 -108.120 0.000 0.000 0.000 -ARG 17 3.800 128.909 10.810 3.020 144.067 35.801 -PRO 18 3.800 91.682 -91.636 1.345 92.790 -107.549 -PRO 19 3.800 81.561 -12.575 1.345 130.879 -136.414 -PRO 20 3.800 111.974 -53.383 1.345 143.519 123.792 -SER 21 3.800 165.307 -165.378 1.150 147.738 -58.443 -D 22 3.800 114.081 171.870 0.000 0.000 0.000 - -Geometry of the virtual chain. - Res d Theta Gamma Dsc Alpha Beta -D 1 0.000 0.000 0.000 0.000 0.000 0.000 -ASN 2 3.800 0.000 0.000 1.684 154.741 -164.038 -LEU 3 3.800 92.169 0.000 1.939 156.309 -112.260 -TYR 4 3.800 79.039 155.002 2.484 120.334 -85.736 -ILE 5 3.800 131.867 -154.550 1.776 156.705 -74.242 -GLN 6 3.800 125.142 28.858 2.240 136.162 -155.509 -TRP 7 3.800 92.762 84.417 2.605 133.067 -93.649 -LEU 8 3.800 140.666 168.375 1.939 147.488 -94.230 -LYS 9 3.800 126.811 -10.177 2.541 128.019 -135.543 -ASP 10 3.800 119.551 -52.915 1.709 143.546 -131.393 -GLY 11 3.800 92.503 3.576 0.000 0.000 0.000 -GLY 12 3.800 122.155 171.350 0.000 0.000 0.000 -PRO 13 3.800 101.391 92.158 1.345 118.215 -119.068 -SER 14 3.800 110.043 177.206 1.150 156.878 -93.260 -SER 15 3.800 96.743 9.399 1.150 106.613 -74.166 -GLY 16 3.800 105.118 60.055 0.000 0.000 0.000 -ARG 17 3.800 128.928 63.242 3.020 139.936 122.897 -PRO 18 3.800 74.341 -89.651 1.345 101.120 -84.365 -PRO 19 3.800 74.663 100.800 1.345 125.442 -158.737 -PRO 20 3.800 145.412 159.978 1.345 113.536 -104.274 -SER 21 3.800 102.228 -72.587 1.150 135.944 -117.250 -D 22 3.800 99.060 111.028 0.000 0.000 0.000 - -Geometry of the virtual chain. - Res d Theta Gamma Dsc Alpha Beta -D 1 0.000 0.000 0.000 0.000 0.000 0.000 -ASN 2 3.800 0.000 0.000 1.684 106.940 -78.050 -LEU 3 3.800 149.402 0.000 1.939 145.704 -119.068 -TYR 4 3.800 109.759 -86.686 2.484 136.009 -132.837 -ILE 5 3.800 141.638 83.443 1.776 165.397 -99.980 -GLN 6 3.800 116.900 111.677 2.240 124.070 -71.806 -TRP 7 3.800 104.940 -5.630 2.605 90.682 -67.038 -LEU 8 3.800 124.069 125.010 1.939 124.649 -9.931 -LYS 9 3.800 150.736 -153.865 2.541 136.085 -69.716 -ASP 10 3.800 97.820 117.009 1.709 102.378 -78.499 -GLY 11 3.800 166.163 -40.040 0.000 0.000 0.000 -GLY 12 3.800 95.979 -7.068 0.000 0.000 0.000 -PRO 13 3.800 106.455 42.375 1.345 115.909 -124.656 -SER 14 3.800 123.195 135.414 1.150 107.949 -71.312 -SER 15 3.800 109.217 -148.512 1.150 108.241 -77.229 -GLY 16 3.800 94.245 157.970 0.000 0.000 0.000 -ARG 17 3.800 159.063 79.788 3.020 177.322 -102.014 -PRO 18 3.800 114.258 -163.344 1.345 96.570 -108.187 -PRO 19 3.800 91.081 -57.735 1.345 108.025 -104.533 -PRO 20 3.800 112.128 95.033 1.345 121.267 -130.353 -SER 21 3.800 117.501 -59.384 1.150 95.601 -66.983 -D 22 3.800 146.431 29.297 0.000 0.000 0.000 - -Geometry of the virtual chain. - Res d Theta Gamma Dsc Alpha Beta -D 1 0.000 0.000 0.000 0.000 0.000 0.000 -ASN 2 3.800 0.000 0.000 1.684 179.021 -21.635 -LEU 3 3.800 97.563 0.000 1.939 140.386 -49.887 -TYR 4 3.800 132.657 46.841 2.484 147.496 172.627 -ILE 5 3.800 119.241 154.645 1.776 145.157 -56.591 -GLN 6 3.800 166.224 -123.320 2.240 158.265 7.227 -TRP 7 3.800 109.185 -124.486 2.605 157.732 -160.346 -LEU 8 3.800 124.437 63.828 1.939 111.553 -66.965 -LYS 9 3.800 147.966 -115.623 2.541 160.150 -110.047 -ASP 10 3.800 132.554 -53.424 1.709 160.967 -22.750 -GLY 11 3.800 121.722 -18.200 0.000 0.000 0.000 -GLY 12 3.800 106.376 95.395 0.000 0.000 0.000 -PRO 13 3.800 100.782 -152.057 1.345 132.100 -144.194 -SER 14 3.800 123.577 101.914 1.150 83.885 -62.487 -SER 15 3.800 120.319 49.559 1.150 108.525 -62.852 -GLY 16 3.800 122.421 -159.814 0.000 0.000 0.000 -ARG 17 3.800 148.850 33.641 3.020 127.044 -0.895 -PRO 18 3.800 108.542 -176.760 1.345 90.164 -115.687 -PRO 19 3.800 65.117 -17.053 1.345 117.302 -117.668 -PRO 20 3.800 118.242 -138.614 1.345 122.249 -131.285 -SER 21 3.800 128.935 44.719 1.150 88.302 -59.962 -D 22 3.800 121.885 3.054 0.000 0.000 0.000 - -Geometry of the virtual chain. - Res d Theta Gamma Dsc Alpha Beta -D 1 0.000 0.000 0.000 0.000 0.000 0.000 -ASN 2 3.800 0.000 0.000 1.684 155.676 -46.505 -LEU 3 3.800 83.887 0.000 1.939 168.291 -109.899 -TYR 4 3.800 90.231 -70.130 2.484 117.444 -83.796 -ILE 5 3.800 146.591 64.201 1.776 139.294 -77.091 -GLN 6 3.800 149.456 64.218 2.240 153.666 66.717 -TRP 7 3.800 137.044 -92.938 2.605 133.834 -10.528 -LEU 8 3.800 134.547 -49.255 1.939 137.596 -100.033 -LYS 9 3.800 151.047 -136.397 2.541 153.532 -136.179 -ASP 10 3.800 93.621 163.069 1.709 162.752 7.777 -GLY 11 3.800 98.440 177.372 0.000 0.000 0.000 -GLY 12 3.800 126.987 -37.686 0.000 0.000 0.000 -PRO 13 3.800 142.887 -3.452 1.345 129.425 -138.750 -SER 14 3.800 118.858 -123.929 1.150 150.060 9.101 -SER 15 3.800 92.427 -95.679 1.150 130.041 -11.176 -GLY 16 3.800 92.204 137.531 0.000 0.000 0.000 -ARG 17 3.800 101.465 -110.450 3.020 137.805 -67.892 -PRO 18 3.800 100.948 -12.263 1.345 105.626 -107.351 -PRO 19 3.800 98.459 -155.080 1.345 127.056 -139.915 -PRO 20 3.800 116.521 -9.756 1.345 111.771 -139.127 -SER 21 3.800 88.737 -77.639 1.150 90.582 -64.060 -D 22 3.800 135.942 -155.892 0.000 0.000 0.000 - -Geometry of the virtual chain. - Res d Theta Gamma Dsc Alpha Beta -D 1 0.000 0.000 0.000 0.000 0.000 0.000 -ASN 2 3.800 0.000 0.000 1.684 122.567 -93.584 -LEU 3 3.800 132.051 0.000 1.939 154.752 -32.062 -TYR 4 3.800 94.456 145.463 2.484 121.825 5.482 -ILE 5 3.800 111.986 18.571 1.776 164.188 -147.674 -GLN 6 3.800 135.118 50.841 2.240 159.556 -158.784 -TRP 7 3.800 111.997 -87.944 2.605 131.356 -8.693 -LEU 8 3.800 111.898 -144.844 1.939 151.685 -151.298 -LYS 9 3.800 103.957 -114.042 2.541 137.695 -74.165 -ASP 10 3.800 117.377 -174.746 1.709 149.174 -29.177 -GLY 11 3.800 126.415 102.667 0.000 0.000 0.000 -GLY 12 3.800 108.120 93.528 0.000 0.000 0.000 -PRO 13 3.800 143.720 -133.531 1.345 119.270 -134.080 -SER 14 3.800 133.695 -34.606 1.150 98.456 -52.382 -SER 15 3.800 96.790 -30.509 1.150 107.822 -67.488 -GLY 16 3.800 119.150 -80.914 0.000 0.000 0.000 -ARG 17 3.800 128.417 -106.497 3.020 121.465 -90.178 -PRO 18 3.800 117.014 140.651 1.345 117.335 -123.881 -PRO 19 3.800 121.367 -21.613 1.345 122.037 -138.900 -PRO 20 3.800 129.234 -109.380 1.345 114.527 -117.795 -SER 21 3.800 125.829 -91.869 1.150 158.812 -86.236 -D 22 3.800 93.415 7.199 0.000 0.000 0.000 - -Geometry of the virtual chain. - Res d Theta Gamma Dsc Alpha Beta -D 1 0.000 0.000 0.000 0.000 0.000 0.000 -ASN 2 3.800 0.000 0.000 1.684 137.940 -137.989 -LEU 3 3.800 121.529 0.000 1.939 150.157 -128.367 -TYR 4 3.800 114.925 49.008 2.484 133.380 -99.314 -ILE 5 3.800 114.507 -4.724 1.776 140.451 -71.867 -GLN 6 3.800 166.134 19.168 2.240 139.437 -135.669 -TRP 7 3.800 112.738 -1.089 2.605 148.018 172.971 -LEU 8 3.800 121.880 -146.167 1.939 141.952 -25.812 -LYS 9 3.800 127.486 -1.077 2.541 144.882 -94.814 -ASP 10 3.800 123.249 -129.481 1.709 141.924 -146.246 -GLY 11 3.800 96.285 -134.182 0.000 0.000 0.000 -GLY 12 3.800 132.663 165.017 0.000 0.000 0.000 -PRO 13 3.800 128.692 -48.676 1.345 92.501 -113.049 -SER 14 3.800 71.297 -111.795 1.150 111.540 -71.949 -SER 15 3.800 100.653 54.501 1.150 145.519 -44.897 -GLY 16 3.800 93.577 59.023 0.000 0.000 0.000 -ARG 17 3.800 115.603 40.094 3.020 136.535 -73.774 -PRO 18 3.800 151.115 76.856 1.345 121.651 -127.561 -PRO 19 3.800 121.977 11.407 1.345 125.042 -155.046 -PRO 20 3.800 142.604 -126.084 1.345 90.799 -121.739 -SER 21 3.800 81.562 6.802 1.150 155.032 -57.946 -D 22 3.800 108.388 -123.076 0.000 0.000 0.000 - -Geometry of the virtual chain. - Res d Theta Gamma Dsc Alpha Beta -D 1 0.000 0.000 0.000 0.000 0.000 0.000 -ASN 2 3.800 0.000 0.000 1.684 163.760 -150.731 -LEU 3 3.800 75.033 0.000 1.939 160.886 -32.453 -TYR 4 3.800 111.919 -14.483 2.484 110.817 -87.097 -ILE 5 3.800 127.675 137.276 1.776 132.805 -80.021 -GLN 6 3.800 80.514 98.111 2.240 177.368 138.790 -TRP 7 3.800 149.514 -102.277 2.605 154.490 146.702 -LEU 8 3.800 95.561 89.131 1.939 137.537 -104.437 -LYS 9 3.800 121.895 126.591 2.541 138.941 -56.675 -ASP 10 3.800 115.848 101.442 1.709 152.283 -46.837 -GLY 11 3.800 98.840 -114.570 0.000 0.000 0.000 -GLY 12 3.800 142.995 -5.123 0.000 0.000 0.000 -PRO 13 3.800 140.926 -100.003 1.345 102.629 -107.403 -SER 14 3.800 100.198 104.527 1.150 142.958 -127.464 -SER 15 3.800 105.630 96.237 1.150 132.698 34.647 -GLY 16 3.800 111.119 141.080 0.000 0.000 0.000 -ARG 17 3.800 103.940 166.717 3.020 137.299 -71.444 -PRO 18 3.800 139.107 -0.768 1.345 133.607 -171.483 -PRO 19 3.800 151.599 -131.990 1.345 112.445 -125.882 -PRO 20 3.800 135.312 -0.622 1.345 138.202 -158.579 -SER 21 3.800 134.006 -79.549 1.150 112.546 -66.829 -D 22 3.800 87.110 -22.095 0.000 0.000 0.000 - -Geometry of the virtual chain. - Res d Theta Gamma Dsc Alpha Beta -D 1 0.000 0.000 0.000 0.000 0.000 0.000 -ASN 2 3.800 0.000 0.000 1.684 141.880 -131.883 -LEU 3 3.800 101.959 0.000 1.939 152.073 -141.201 -TYR 4 3.800 77.875 161.314 2.484 142.865 -136.742 -ILE 5 3.800 145.203 68.751 1.776 151.909 -86.224 -GLN 6 3.800 85.997 -174.300 2.240 166.365 -161.057 -TRP 7 3.800 123.800 120.293 2.605 172.720 122.027 -LEU 8 3.800 90.930 1.004 1.939 142.016 -103.829 -LYS 9 3.800 135.469 -44.634 2.541 168.646 -98.671 -ASP 10 3.800 83.133 -73.691 1.709 137.999 -102.112 -GLY 11 3.800 103.233 99.528 0.000 0.000 0.000 -GLY 12 3.800 129.329 170.520 0.000 0.000 0.000 -PRO 13 3.800 112.602 -43.105 1.345 126.011 -141.352 -SER 14 3.800 127.181 -68.012 1.150 175.778 -48.092 -SER 15 3.800 115.175 -87.284 1.150 104.408 -64.714 -GLY 16 3.800 109.306 25.816 0.000 0.000 0.000 -ARG 17 3.800 143.902 126.110 3.020 97.399 71.858 -PRO 18 3.800 146.253 -158.574 1.345 125.709 -141.303 -PRO 19 3.800 126.138 -61.763 1.345 131.402 -160.113 -PRO 20 3.800 138.454 73.118 1.345 115.453 -114.524 -SER 21 3.800 117.688 35.194 1.150 109.325 -70.056 -D 22 3.800 94.861 169.762 0.000 0.000 0.000 - -Geometry of the virtual chain. - Res d Theta Gamma Dsc Alpha Beta -D 1 0.000 0.000 0.000 0.000 0.000 0.000 -ASN 2 3.800 0.000 0.000 1.684 148.350 -145.349 -LEU 3 3.800 93.317 0.000 1.939 144.767 -65.894 -TYR 4 3.800 129.947 -37.564 2.484 106.145 -96.107 -ILE 5 3.800 116.665 55.647 1.776 168.706 -114.513 -GLN 6 3.800 137.380 -60.609 2.240 150.442 -84.968 -TRP 7 3.800 132.071 -34.810 2.605 162.484 148.275 -LEU 8 3.800 99.859 -63.261 1.939 147.503 -139.415 -LYS 9 3.800 135.664 44.838 2.541 146.838 -106.655 -ASP 10 3.800 85.683 -67.328 1.709 154.186 -112.294 -GLY 11 3.800 97.307 -146.070 0.000 0.000 0.000 -GLY 12 3.800 124.849 -3.840 0.000 0.000 0.000 -PRO 13 3.800 97.792 -95.363 1.345 124.496 -147.631 -SER 14 3.800 133.994 56.755 1.150 156.614 -78.488 -SER 15 3.800 100.573 -142.865 1.150 145.411 -92.194 -GLY 16 3.800 123.819 -165.520 0.000 0.000 0.000 -ARG 17 3.800 146.349 -36.016 3.020 146.325 -111.274 -PRO 18 3.800 131.176 -102.427 1.345 133.769 -157.464 -PRO 19 3.800 134.192 -9.771 1.345 101.762 -100.256 -PRO 20 3.800 97.573 -22.598 1.345 139.267 173.041 -SER 21 3.800 150.218 -43.645 1.150 130.096 -64.889 -D 22 3.800 108.709 155.867 0.000 0.000 0.000 - -Geometry of the virtual chain. - Res d Theta Gamma Dsc Alpha Beta -D 1 0.000 0.000 0.000 0.000 0.000 0.000 -ASN 2 3.800 0.000 0.000 1.684 160.190 167.564 -LEU 3 3.800 96.867 0.000 1.939 159.824 -122.966 -TYR 4 3.800 94.959 -165.682 2.484 148.110 170.936 -ILE 5 3.800 112.113 21.544 1.776 170.992 -120.949 -GLN 6 3.800 128.597 -139.308 2.240 139.491 -101.550 -TRP 7 3.800 90.025 -110.761 2.605 130.187 -135.529 -LEU 8 3.800 138.193 23.598 1.939 153.506 -28.808 -LYS 9 3.800 98.502 23.947 2.541 144.152 -145.875 -ASP 10 3.800 98.819 -179.034 1.709 147.815 -50.285 -GLY 11 3.800 132.571 -119.418 0.000 0.000 0.000 -GLY 12 3.800 125.145 -155.443 0.000 0.000 0.000 -PRO 13 3.800 111.393 -52.516 1.345 123.244 -136.453 -SER 14 3.800 135.768 -31.309 1.150 111.181 -63.039 -SER 15 3.800 93.752 158.746 1.150 108.253 -76.557 -GLY 16 3.800 91.074 114.932 0.000 0.000 0.000 -ARG 17 3.800 127.995 -57.461 3.020 127.237 165.165 -PRO 18 3.800 94.686 -51.883 1.345 124.652 -150.275 -PRO 19 3.800 144.445 -111.724 1.345 120.912 -126.883 -PRO 20 3.800 123.594 167.706 1.345 122.092 -124.279 -SER 21 3.800 111.620 -72.026 1.150 127.254 -75.684 -D 22 3.800 132.950 -122.283 0.000 0.000 0.000 - -Geometry of the virtual chain. - Res d Theta Gamma Dsc Alpha Beta -D 1 0.000 0.000 0.000 0.000 0.000 0.000 -ASN 2 3.800 0.000 0.000 1.684 142.198 -100.838 -LEU 3 3.800 92.621 0.000 1.939 153.396 -119.381 -TYR 4 3.800 88.139 -173.966 2.484 140.349 -7.952 -ILE 5 3.800 85.279 94.355 1.776 162.052 -127.821 -GLN 6 3.800 130.383 -50.839 2.240 156.510 -22.543 -TRP 7 3.800 105.613 105.415 2.605 143.316 -122.763 -LEU 8 3.800 104.037 54.080 1.939 155.280 -130.798 -LYS 9 3.800 103.321 33.166 2.541 161.609 -122.266 -ASP 10 3.800 118.472 -21.510 1.709 145.911 -127.807 -GLY 11 3.800 84.927 -160.713 0.000 0.000 0.000 -GLY 12 3.800 95.113 -76.264 0.000 0.000 0.000 -PRO 13 3.800 101.948 -56.444 1.345 101.940 -86.812 -SER 14 3.800 76.105 -42.067 1.150 131.173 -52.181 -SER 15 3.800 124.496 155.637 1.150 114.742 -58.222 -GLY 16 3.800 133.714 -107.716 0.000 0.000 0.000 -ARG 17 3.800 125.975 60.486 3.020 158.407 -157.060 -PRO 18 3.800 93.213 -7.315 1.345 120.256 -124.330 -PRO 19 3.800 114.137 53.417 1.345 138.293 166.182 -PRO 20 3.800 157.492 163.622 1.345 98.883 -135.233 -SER 21 3.800 102.299 156.163 1.150 110.001 -64.951 -D 22 3.800 84.778 -109.783 0.000 0.000 0.000 - -Geometry of the virtual chain. - Res d Theta Gamma Dsc Alpha Beta -D 1 0.000 0.000 0.000 0.000 0.000 0.000 -ASN 2 3.800 0.000 0.000 1.684 141.061 -111.055 -LEU 3 3.800 97.207 0.000 1.939 139.910 -133.590 -TYR 4 3.800 135.612 -92.068 2.484 132.064 -139.325 -ILE 5 3.800 122.045 15.968 1.776 130.982 -95.383 -GLN 6 3.800 85.716 73.628 2.240 151.201 -25.210 -TRP 7 3.800 130.361 84.668 2.605 99.569 -101.612 -LEU 8 3.800 127.508 23.599 1.939 167.759 163.067 -LYS 9 3.800 127.794 -138.041 2.541 145.254 -142.091 -ASP 10 3.800 84.024 2.472 1.709 99.255 -85.828 -GLY 11 3.800 124.339 -73.151 0.000 0.000 0.000 -GLY 12 3.800 110.127 -110.069 0.000 0.000 0.000 -PRO 13 3.800 124.912 68.868 1.345 131.126 -172.076 -SER 14 3.800 152.043 -65.728 1.150 142.110 -12.867 -SER 15 3.800 98.328 -22.594 1.150 124.414 -66.078 -GLY 16 3.800 130.647 56.683 0.000 0.000 0.000 -ARG 17 3.800 156.900 -176.422 3.020 149.918 -57.742 -PRO 18 3.800 105.471 60.744 1.345 133.392 -175.268 -PRO 19 3.800 152.392 -43.850 1.345 103.660 -107.993 -PRO 20 3.800 95.082 172.101 1.345 129.290 -145.537 -SER 21 3.800 131.656 -171.385 1.150 140.230 -56.813 -D 22 3.800 108.779 123.033 0.000 0.000 0.000 - -Geometry of the virtual chain. - Res d Theta Gamma Dsc Alpha Beta -D 1 0.000 0.000 0.000 0.000 0.000 0.000 -ASN 2 3.800 0.000 0.000 1.684 156.852 3.916 -LEU 3 3.800 89.634 0.000 1.939 153.158 -136.634 -TYR 4 3.800 130.988 -178.073 2.484 79.828 -90.247 -ILE 5 3.800 121.508 115.688 1.776 127.999 -78.682 -GLN 6 3.800 153.980 70.022 2.240 174.262 -32.080 -TRP 7 3.800 137.085 2.663 2.605 148.387 152.144 -LEU 8 3.800 120.772 -64.402 1.939 150.838 -69.973 -LYS 9 3.800 98.035 -8.723 2.541 140.915 -148.066 -ASP 10 3.800 115.197 57.266 1.709 153.254 -34.791 -GLY 11 3.800 88.200 178.588 0.000 0.000 0.000 -GLY 12 3.800 114.258 131.889 0.000 0.000 0.000 -PRO 13 3.800 124.574 50.932 1.345 108.066 -104.810 -SER 14 3.800 109.211 145.863 1.150 155.745 33.265 -SER 15 3.800 93.887 167.229 1.150 91.894 -56.946 -GLY 16 3.800 145.838 -166.153 0.000 0.000 0.000 -ARG 17 3.800 133.136 -169.113 3.020 159.310 -132.576 -PRO 18 3.800 110.867 -105.410 1.345 117.494 -117.220 -PRO 19 3.800 107.694 158.851 1.345 105.363 -122.131 -PRO 20 3.800 98.307 172.575 1.345 103.338 -115.813 -SER 21 3.800 100.729 -33.435 1.150 144.958 -80.510 -D 22 3.800 104.955 35.747 0.000 0.000 0.000 - -Geometry of the virtual chain. - Res d Theta Gamma Dsc Alpha Beta -D 1 0.000 0.000 0.000 0.000 0.000 0.000 -ASN 2 3.800 0.000 0.000 1.684 139.997 -95.929 -LEU 3 3.800 124.334 0.000 1.939 160.542 -140.011 -TYR 4 3.800 88.706 108.269 2.484 130.494 -7.934 -ILE 5 3.800 124.174 61.212 1.776 170.890 -146.883 -GLN 6 3.800 127.826 44.575 2.240 160.303 -139.772 -TRP 7 3.800 86.775 -145.688 2.605 93.844 -64.261 -LEU 8 3.800 147.347 152.666 1.939 159.654 -33.812 -LYS 9 3.800 123.117 92.517 2.541 130.701 17.549 -ASP 10 3.800 127.057 22.987 1.709 122.667 -81.669 -GLY 11 3.800 120.904 -154.401 0.000 0.000 0.000 -GLY 12 3.800 88.673 178.026 0.000 0.000 0.000 -PRO 13 3.800 123.292 73.842 1.345 121.341 -97.660 -SER 14 3.800 58.102 115.948 1.150 165.456 -135.667 -SER 15 3.800 95.441 171.113 1.150 99.581 -58.670 -GLY 16 3.800 118.600 79.187 0.000 0.000 0.000 -ARG 17 3.800 105.181 127.476 3.020 119.058 10.976 -PRO 18 3.800 130.457 -107.978 1.345 99.968 -112.533 -PRO 19 3.800 93.287 87.583 1.345 116.264 -126.961 -PRO 20 3.800 131.130 -90.521 1.345 138.942 164.477 -SER 21 3.800 156.093 -140.280 1.150 115.801 -152.146 -D 22 3.800 149.149 -18.080 0.000 0.000 0.000 -CG Processor: 0: bad sampling box. -CG Processor: 0: bad sampling box. -CG Processor: 0: bad sampling box. -CG Processor: 0: bad sampling box. -CG Processor: 0: bad sampling box. -CG Processor: 0: bad sampling box. -CG Processor: 0: bad sampling box. -CG Processor: 0: bad sampling box. -CG Processor: 0: bad sampling box. -CG Processor: 0: bad sampling box. -CG Processor: 0: bad sampling box. -CG Processor: 0: bad sampling box. -CG Processor: 0: bad sampling box. -CG Processor: 0: bad sampling box. -CG Processor: 0: bad sampling box. -CG Processor: 0: bad sampling box. -CG Processor: 0: bad sampling box. -CG Processor: 0: bad sampling box. -CG Processor: 0: bad sampling box. -CG Processor: 0: bad sampling box. -CG Processor: 0: bad sampling box. -CG Processor: 0: bad sampling box. -CG Processor: 0: bad sampling box. -CG Processor: 0: bad sampling box. -CG Processor: 0: bad sampling box. -CG Processor: 0: bad sampling box. -CG Processor: 0: bad sampling box. -CG Processor: 0: bad sampling box. -CG Processor: 0: bad sampling box. -CG Processor: 0: bad sampling box. -CG Processor: 0: bad sampling box. -CG Processor: 0: bad sampling box. -CG Processor: 0: bad sampling box. -CG Processor: 0: bad sampling box. -CG Processor: 0: bad sampling box. -CG Processor: 0: bad sampling box. -CG Processor: 0: bad sampling box. -CG Processor: 0: bad sampling box. -CG Processor: 0: bad sampling box. -CG Processor: 0: bad sampling box. -CG Processor: 0: bad sampling box. -CG Processor: 0: bad sampling box. -CG Processor: 0: bad sampling box. -CG Processor: 0: bad sampling box. -CG Processor: 0: bad sampling box. -CG Processor: 0: bad sampling box. -CG Processor: 0: bad sampling box. -CG Processor: 0: bad sampling box. -CG Processor: 0: bad sampling box. -CG Processor: 0: bad sampling box. -CG Processor: 0: bad sampling box. -CG Processor: 0: bad sampling box. -CG Processor: 0: bad sampling box. -CG Processor: 0: bad sampling box. -CG Processor: 0: bad sampling box. -CG Processor: 0: bad sampling box. -CG Processor: 0: bad sampling box. -CG Processor: 0: bad sampling box. -CG Processor: 0: bad sampling box. -CG Processor: 0: bad sampling box. -CG Processor: 0: bad sampling box. -CG Processor: 0: bad sampling box. -CG Processor: 0: bad sampling box. -CG Processor: 0: bad sampling box. -CG Processor: 0: bad sampling box. -CG Processor: 0: bad sampling box. -CG Processor: 0: bad sampling box. -CG Processor: 0: bad sampling box. -CG Processor: 0: bad sampling box. -CG Processor: 0: bad sampling box. -CG Processor: 0: bad sampling box. -CG Processor: 0: bad sampling box. -CG Processor: 0: bad sampling box. -CG Processor: 0: bad sampling box. -CG Processor: 0: bad sampling box. -CG Processor: 0: bad sampling box. -CG Processor: 0: bad sampling box. -CG Processor: 0: bad sampling box. -CG Processor: 0: bad sampling box. -CG Processor: 0: bad sampling box. -CG Processor: 0: bad sampling box. -CG Processor: 0: bad sampling box. -CG Processor: 0: bad sampling box. -CG Processor: 0: bad sampling box. -CG Processor: 0: bad sampling box. -CG Processor: 0: bad sampling box. -CG Processor: 0: bad sampling box. -CG Processor: 0: bad sampling box. -CG Processor: 0: bad sampling box. -CG Processor: 0: bad sampling box. -CG Processor: 0: bad sampling box. -CG Processor: 0: bad sampling box. -CG Processor: 0: bad sampling box. -CG Processor: 0: bad sampling box. -CG Processor: 0: bad sampling box. -CG Processor: 0: bad sampling box. -CG Processor: 0: bad sampling box. -CG Processor: 0: bad sampling box. -CG Processor: 0: bad sampling box. -CG Processor: 0: bad sampling box. -CG Processor: 0: bad sampling box. - Failed to generate conformation # 186 itrial= 188 - -Geometry of the virtual chain. - Res d Theta Gamma Dsc Alpha Beta -D 1 0.000 0.000 0.000 0.000 0.000 0.000 -ASN 2 3.800 0.000 0.000 1.684 119.793 -78.975 -LEU 3 3.800 99.935 0.000 1.939 147.523 -144.388 -TYR 4 3.800 95.873 6.255 2.484 133.545 -141.267 -ILE 5 3.800 97.014 46.797 1.776 172.658 -116.992 -GLN 6 3.800 114.914 -107.327 2.240 139.741 167.524 -TRP 7 3.800 135.078 17.433 2.605 124.027 -11.318 -LEU 8 3.800 126.517 74.413 1.939 130.763 -56.442 -LYS 9 3.800 143.539 171.406 2.541 119.967 -33.887 -ASP 10 3.800 163.221 -15.354 1.709 156.893 -45.815 -GLY 11 3.800 113.177 107.028 0.000 0.000 0.000 -GLY 12 3.800 105.937 -67.379 0.000 0.000 0.000 -PRO 13 3.800 140.242 169.869 1.345 125.716 -139.412 -SER 14 3.800 120.792 22.854 1.150 104.155 -59.904 -SER 15 3.800 83.627 -6.026 1.150 147.691 -51.449 -GLY 16 3.800 91.729 -122.793 0.000 0.000 0.000 -ARG 17 3.800 112.587 109.786 3.020 134.384 -30.422 -PRO 18 3.800 116.022 23.937 1.345 131.851 -159.547 -PRO 19 3.800 134.316 168.599 1.345 118.392 -126.887 -PRO 20 3.800 110.658 -46.704 1.345 121.136 -125.001 -SER 21 3.800 114.657 -176.499 1.150 97.219 -61.115 -D 22 3.800 95.961 136.920 0.000 0.000 0.000 - -Geometry of the virtual chain. - Res d Theta Gamma Dsc Alpha Beta -D 1 0.000 0.000 0.000 0.000 0.000 0.000 -ASN 2 3.800 0.000 0.000 1.684 143.560 -151.008 -LEU 3 3.800 127.168 0.000 1.939 168.721 -167.565 -TYR 4 3.800 69.768 46.798 2.484 118.865 -16.757 -ILE 5 3.800 122.905 63.852 1.776 146.665 -87.858 -GLN 6 3.800 67.746 -8.318 2.240 125.178 -143.901 -TRP 7 3.800 102.545 -161.778 2.605 95.289 -101.680 -LEU 8 3.800 139.307 36.856 1.939 133.699 -73.769 -LYS 9 3.800 133.244 -121.810 2.541 127.226 -122.610 -ASP 10 3.800 135.576 70.726 1.709 102.986 -79.301 -GLY 11 3.800 119.779 44.363 0.000 0.000 0.000 -GLY 12 3.800 117.361 -40.340 0.000 0.000 0.000 -PRO 13 3.800 101.279 100.592 1.345 102.593 -121.818 -SER 14 3.800 95.800 -88.542 1.150 85.147 -59.795 -SER 15 3.800 147.535 -121.309 1.150 152.005 -60.076 -GLY 16 3.800 117.470 -149.689 0.000 0.000 0.000 -ARG 17 3.800 113.301 -92.859 3.020 149.178 -71.077 -PRO 18 3.800 101.928 -46.544 1.345 100.608 -141.979 -PRO 19 3.800 103.684 -169.277 1.345 121.720 -125.597 -PRO 20 3.800 117.674 -51.639 1.345 122.034 -144.651 -SER 21 3.800 129.184 -160.702 1.150 139.906 -8.295 -D 22 3.800 91.128 95.763 0.000 0.000 0.000 - -Geometry of the virtual chain. - Res d Theta Gamma Dsc Alpha Beta -D 1 0.000 0.000 0.000 0.000 0.000 0.000 -ASN 2 3.800 0.000 0.000 1.684 111.801 -130.277 -LEU 3 3.800 110.539 0.000 1.939 153.015 -100.518 -TYR 4 3.800 100.181 15.090 2.484 136.437 -115.595 -ILE 5 3.800 123.282 5.279 1.776 141.446 -88.753 -GLN 6 3.800 94.103 -57.162 2.240 132.769 -97.453 -TRP 7 3.800 91.859 148.629 2.605 139.708 145.621 -LEU 8 3.800 138.994 31.592 1.939 147.699 -38.818 -LYS 9 3.800 125.216 55.024 2.541 148.800 -147.910 -ASP 10 3.800 97.992 -121.929 1.709 152.602 -2.749 -GLY 11 3.800 124.258 176.269 0.000 0.000 0.000 -GLY 12 3.800 132.642 -92.704 0.000 0.000 0.000 -PRO 13 3.800 109.417 -125.397 1.345 112.496 -114.213 -SER 14 3.800 114.011 -47.006 1.150 148.496 -101.882 -SER 15 3.800 105.541 99.825 1.150 152.838 -51.051 -GLY 16 3.800 88.102 89.592 0.000 0.000 0.000 -ARG 17 3.800 111.069 124.162 3.020 136.122 -78.991 -PRO 18 3.800 120.349 176.486 1.345 122.226 -131.487 -PRO 19 3.800 121.572 -148.817 1.345 104.237 -114.223 -PRO 20 3.800 81.248 -154.642 1.345 121.332 -158.629 -SER 21 3.800 150.493 -48.321 1.150 154.803 -105.513 -D 22 3.800 99.249 -25.344 0.000 0.000 0.000 - -Geometry of the virtual chain. - Res d Theta Gamma Dsc Alpha Beta -D 1 0.000 0.000 0.000 0.000 0.000 0.000 -ASN 2 3.800 0.000 0.000 1.684 139.832 -137.696 -LEU 3 3.800 93.011 0.000 1.939 145.003 -110.149 -TYR 4 3.800 76.572 -127.589 2.484 165.849 176.749 -ILE 5 3.800 87.441 -72.286 1.776 147.249 -66.985 -GLN 6 3.800 98.112 128.386 2.240 164.317 19.107 -TRP 7 3.800 143.613 138.190 2.605 101.682 -68.781 -LEU 8 3.800 150.901 -152.295 1.939 149.178 -144.827 -LYS 9 3.800 90.447 111.264 2.541 147.696 -135.407 -ASP 10 3.800 128.350 -152.465 1.709 142.578 -110.175 -GLY 11 3.800 80.532 46.799 0.000 0.000 0.000 -GLY 12 3.800 124.287 -46.762 0.000 0.000 0.000 -PRO 13 3.800 157.649 65.547 1.345 120.273 -141.404 -SER 14 3.800 133.234 -73.987 1.150 143.963 -40.648 -SER 15 3.800 118.040 -121.037 1.150 152.337 -30.465 -GLY 16 3.800 127.685 -95.220 0.000 0.000 0.000 -ARG 17 3.800 99.563 139.071 3.020 150.308 -5.268 -PRO 18 3.800 82.100 96.128 1.345 121.247 -135.548 -PRO 19 3.800 129.358 138.481 1.345 90.128 -123.010 -PRO 20 3.800 96.586 179.447 1.345 122.645 -141.584 -SER 21 3.800 136.827 41.229 1.150 151.256 -157.211 -D 22 3.800 95.868 -7.679 0.000 0.000 0.000 - -Geometry of the virtual chain. - Res d Theta Gamma Dsc Alpha Beta -D 1 0.000 0.000 0.000 0.000 0.000 0.000 -ASN 2 3.800 0.000 0.000 1.684 153.022 3.884 -LEU 3 3.800 126.672 0.000 1.939 125.359 -64.261 -TYR 4 3.800 149.066 177.469 2.484 124.980 -103.367 -ILE 5 3.800 134.074 -106.372 1.776 155.670 -77.795 -GLN 6 3.800 148.329 77.002 2.240 170.309 -94.753 -TRP 7 3.800 124.849 -11.921 2.605 152.195 -160.540 -LEU 8 3.800 107.903 94.889 1.939 127.555 -66.070 -LYS 9 3.800 141.961 -101.318 2.541 154.427 -123.828 -ASP 10 3.800 132.511 114.251 1.709 157.367 -34.711 -GLY 11 3.800 120.887 -48.417 0.000 0.000 0.000 -GLY 12 3.800 100.202 30.868 0.000 0.000 0.000 -PRO 13 3.800 138.995 128.556 1.345 133.423 -161.549 -SER 14 3.800 144.309 30.238 1.150 107.583 -67.440 -SER 15 3.800 107.272 79.878 1.150 104.877 -66.623 -GLY 16 3.800 90.980 106.124 0.000 0.000 0.000 -ARG 17 3.800 117.831 -96.512 3.020 135.737 -86.319 -PRO 18 3.800 109.981 81.493 1.345 139.992 -170.622 -PRO 19 3.800 137.988 117.676 1.345 121.771 -123.666 -PRO 20 3.800 119.480 -39.183 1.345 120.007 -129.358 -SER 21 3.800 117.567 114.641 1.150 147.459 -22.766 -D 22 3.800 95.451 -155.494 0.000 0.000 0.000 - -Geometry of the virtual chain. - Res d Theta Gamma Dsc Alpha Beta -D 1 0.000 0.000 0.000 0.000 0.000 0.000 -ASN 2 3.800 0.000 0.000 1.684 155.616 164.734 -LEU 3 3.800 72.264 0.000 1.939 158.950 -135.262 -TYR 4 3.800 104.529 56.193 2.484 136.579 -139.968 -ILE 5 3.800 105.963 88.465 1.776 141.211 -80.008 -GLN 6 3.800 104.111 48.484 2.240 125.834 -76.237 -TRP 7 3.800 88.819 132.925 2.605 156.385 -153.249 -LEU 8 3.800 126.288 47.087 1.939 141.554 -138.581 -LYS 9 3.800 87.327 -131.175 2.541 148.382 -28.067 -ASP 10 3.800 77.021 -90.691 1.709 121.859 -117.505 -GLY 11 3.800 119.493 -162.256 0.000 0.000 0.000 -GLY 12 3.800 123.562 -2.943 0.000 0.000 0.000 -PRO 13 3.800 167.479 -0.027 1.345 124.399 -134.578 -SER 14 3.800 126.046 -128.027 1.150 94.644 -71.376 -SER 15 3.800 114.226 -155.112 1.150 78.293 -46.616 -GLY 16 3.800 164.158 109.106 0.000 0.000 0.000 -ARG 17 3.800 125.409 27.101 3.020 155.034 106.148 -PRO 18 3.800 103.909 -41.290 1.345 98.833 -98.062 -PRO 19 3.800 86.922 32.877 1.345 128.764 -155.232 -PRO 20 3.800 139.075 41.118 1.345 122.901 -147.017 -SER 21 3.800 141.124 -176.110 1.150 99.576 -60.284 -D 22 3.800 155.244 41.139 0.000 0.000 0.000 - -Geometry of the virtual chain. - Res d Theta Gamma Dsc Alpha Beta -D 1 0.000 0.000 0.000 0.000 0.000 0.000 -ASN 2 3.800 0.000 0.000 1.684 171.938 -29.891 -LEU 3 3.800 78.359 0.000 1.939 161.372 -34.392 -TYR 4 3.800 84.763 65.233 2.484 106.675 -86.672 -ILE 5 3.800 125.247 46.615 1.776 160.413 -82.353 -GLN 6 3.800 122.344 -115.592 2.240 153.094 124.711 -TRP 7 3.800 133.886 -167.619 2.605 151.828 -148.617 -LEU 8 3.800 106.661 43.506 1.939 170.937 -136.142 -LYS 9 3.800 129.896 -67.834 2.541 148.218 -61.049 -ASP 10 3.800 125.990 -144.700 1.709 115.372 -80.107 -GLY 11 3.800 98.668 95.809 0.000 0.000 0.000 -GLY 12 3.800 167.932 -49.942 0.000 0.000 0.000 -PRO 13 3.800 92.978 9.261 1.345 119.142 -142.837 -SER 14 3.800 142.560 149.445 1.150 128.627 -76.578 -SER 15 3.800 115.478 34.020 1.150 86.450 -57.582 -GLY 16 3.800 155.564 53.053 0.000 0.000 0.000 -ARG 17 3.800 119.753 93.599 3.020 150.816 3.444 -PRO 18 3.800 102.990 -91.048 1.345 133.041 -157.642 -PRO 19 3.800 130.841 168.556 1.345 123.492 -135.431 -PRO 20 3.800 119.451 37.185 1.345 107.842 -103.522 -SER 21 3.800 108.164 91.270 1.150 101.160 -73.267 -D 22 3.800 107.621 -9.794 0.000 0.000 0.000 - -Geometry of the virtual chain. - Res d Theta Gamma Dsc Alpha Beta -D 1 0.000 0.000 0.000 0.000 0.000 0.000 -ASN 2 3.800 0.000 0.000 1.684 112.941 -82.704 -LEU 3 3.800 108.052 0.000 1.939 169.005 11.677 -TYR 4 3.800 80.452 63.278 2.484 157.103 10.534 -ILE 5 3.800 84.394 67.098 1.776 136.047 -105.501 -GLN 6 3.800 105.873 -92.758 2.240 155.056 165.426 -TRP 7 3.800 132.112 -3.042 2.605 87.029 -69.684 -LEU 8 3.800 146.980 -28.933 1.939 164.295 -125.529 -LYS 9 3.800 105.910 70.242 2.541 97.800 -156.268 -ASP 10 3.800 147.985 -52.301 1.709 137.890 -96.379 -GLY 11 3.800 107.123 108.165 0.000 0.000 0.000 -GLY 12 3.800 143.471 -126.999 0.000 0.000 0.000 -PRO 13 3.800 123.807 -99.217 1.345 124.555 -128.940 -SER 14 3.800 126.335 -65.247 1.150 131.149 -58.369 -SER 15 3.800 140.037 71.320 1.150 101.733 -63.511 -GLY 16 3.800 124.696 2.440 0.000 0.000 0.000 -ARG 17 3.800 123.815 -28.258 3.020 154.107 110.514 -PRO 18 3.800 89.279 108.097 1.345 124.556 -129.083 -PRO 19 3.800 120.332 3.031 1.345 123.981 -138.970 -PRO 20 3.800 138.286 139.193 1.345 117.678 -130.087 -SER 21 3.800 120.653 115.989 1.150 165.326 -71.535 -D 22 3.800 102.410 129.489 0.000 0.000 0.000 - -Geometry of the virtual chain. - Res d Theta Gamma Dsc Alpha Beta -D 1 0.000 0.000 0.000 0.000 0.000 0.000 -ASN 2 3.800 0.000 0.000 1.684 111.664 -83.692 -LEU 3 3.800 89.655 0.000 1.939 155.441 -140.781 -TYR 4 3.800 100.652 -1.093 2.484 126.508 -4.970 -ILE 5 3.800 122.476 170.897 1.776 162.204 -75.459 -GLN 6 3.800 130.197 -152.723 2.240 145.970 -136.094 -TRP 7 3.800 128.050 -177.770 2.605 143.899 -149.128 -LEU 8 3.800 141.475 126.775 1.939 157.583 -101.837 -LYS 9 3.800 101.576 56.579 2.541 153.117 -72.887 -ASP 10 3.800 121.283 -142.829 1.709 137.787 -127.137 -GLY 11 3.800 79.192 18.110 0.000 0.000 0.000 -GLY 12 3.800 129.673 -60.682 0.000 0.000 0.000 -PRO 13 3.800 137.936 -143.299 1.345 126.181 -155.087 -SER 14 3.800 144.840 27.696 1.150 88.895 -66.999 -SER 15 3.800 118.113 -176.375 1.150 134.835 -88.654 -GLY 16 3.800 138.077 -8.642 0.000 0.000 0.000 -ARG 17 3.800 120.507 -50.016 3.020 118.500 3.358 -PRO 18 3.800 116.328 20.652 1.345 123.068 -149.195 -PRO 19 3.800 148.077 68.334 1.345 131.388 -147.977 -PRO 20 3.800 127.151 172.453 1.345 125.898 -129.031 -SER 21 3.800 115.785 126.499 1.150 91.981 -58.263 -D 22 3.800 143.032 -45.580 0.000 0.000 0.000 - -Geometry of the virtual chain. - Res d Theta Gamma Dsc Alpha Beta -D 1 0.000 0.000 0.000 0.000 0.000 0.000 -ASN 2 3.800 0.000 0.000 1.684 162.951 -17.452 -LEU 3 3.800 91.834 0.000 1.939 154.658 -104.854 -TYR 4 3.800 136.782 -20.511 2.484 145.979 -146.534 -ILE 5 3.800 121.396 -43.847 1.776 145.991 -66.761 -GLN 6 3.800 105.096 -112.855 2.240 135.541 -33.310 -TRP 7 3.800 91.262 -40.754 2.605 150.241 152.075 -LEU 8 3.800 107.409 -49.784 1.939 100.930 -25.835 -LYS 9 3.800 162.243 121.176 2.541 148.037 -160.244 -ASP 10 3.800 120.685 137.839 1.709 159.013 -156.152 -GLY 11 3.800 61.962 49.124 0.000 0.000 0.000 -GLY 12 3.800 140.385 73.017 0.000 0.000 0.000 -PRO 13 3.800 153.747 -82.621 1.345 101.728 -99.217 -SER 14 3.800 78.092 -130.739 1.150 166.493 -19.236 -SER 15 3.800 90.457 156.175 1.150 85.787 -38.793 -GLY 16 3.800 159.698 119.136 0.000 0.000 0.000 -ARG 17 3.800 122.617 99.279 3.020 149.296 -103.091 -PRO 18 3.800 105.049 98.683 1.345 113.623 -122.620 -PRO 19 3.800 122.545 -46.847 1.345 124.231 -130.977 -PRO 20 3.800 115.223 -101.860 1.345 147.738 147.407 -SER 21 3.800 160.179 -54.770 1.150 156.455 -119.269 -D 22 3.800 136.943 143.772 0.000 0.000 0.000 - -Geometry of the virtual chain. - Res d Theta Gamma Dsc Alpha Beta -D 1 0.000 0.000 0.000 0.000 0.000 0.000 -ASN 2 3.800 0.000 0.000 1.684 139.674 -108.799 -LEU 3 3.800 95.007 0.000 1.939 132.500 -54.997 -TYR 4 3.800 125.085 122.518 2.484 139.003 -130.593 -ILE 5 3.800 121.251 -115.955 1.776 163.728 -100.447 -GLN 6 3.800 130.582 24.208 2.240 145.047 -80.382 -TRP 7 3.800 104.809 -122.515 2.605 133.107 -24.286 -LEU 8 3.800 132.403 126.657 1.939 150.942 -19.068 -LYS 9 3.800 88.669 -66.319 2.541 149.236 -99.092 -ASP 10 3.800 112.922 46.026 1.709 123.623 -87.833 -GLY 11 3.800 103.584 -173.201 0.000 0.000 0.000 -GLY 12 3.800 100.823 -94.221 0.000 0.000 0.000 -PRO 13 3.800 113.527 59.561 1.345 152.013 110.085 -SER 14 3.800 165.650 -108.969 1.150 101.891 -66.567 -SER 15 3.800 103.713 162.897 1.150 102.683 -73.406 -GLY 16 3.800 122.262 -69.758 0.000 0.000 0.000 -ARG 17 3.800 120.513 -143.526 3.020 130.240 -124.620 -PRO 18 3.800 112.900 168.657 1.345 106.692 -104.876 -PRO 19 3.800 82.470 2.173 1.345 97.061 -116.318 -PRO 20 3.800 91.275 120.284 1.345 95.895 -119.148 -SER 21 3.800 83.778 -6.253 1.150 149.280 -71.880 -D 22 3.800 90.040 49.293 0.000 0.000 0.000 - -Geometry of the virtual chain. - Res d Theta Gamma Dsc Alpha Beta -D 1 0.000 0.000 0.000 0.000 0.000 0.000 -ASN 2 3.800 0.000 0.000 1.684 109.155 -92.302 -LEU 3 3.800 116.028 0.000 1.939 143.863 -105.189 -TYR 4 3.800 90.098 129.704 2.484 112.705 -97.799 -ILE 5 3.800 113.709 99.034 1.776 136.441 -92.998 -GLN 6 3.800 84.886 77.086 2.240 153.201 -112.620 -TRP 7 3.800 91.798 -122.018 2.605 130.972 -179.627 -LEU 8 3.800 121.701 138.417 1.939 158.216 -114.685 -LYS 9 3.800 104.909 -74.197 2.541 142.567 -45.562 -ASP 10 3.800 147.888 0.176 1.709 124.472 -126.466 -GLY 11 3.800 88.935 -29.628 0.000 0.000 0.000 -GLY 12 3.800 123.520 -158.865 0.000 0.000 0.000 -PRO 13 3.800 115.777 105.838 1.345 121.374 -123.989 -SER 14 3.800 119.271 -64.689 1.150 138.387 -88.322 -SER 15 3.800 98.077 -107.733 1.150 95.873 -71.973 -GLY 16 3.800 137.646 45.407 0.000 0.000 0.000 -ARG 17 3.800 122.787 54.664 3.020 118.989 -56.541 -PRO 18 3.800 105.866 -47.539 1.345 101.670 -117.179 -PRO 19 3.800 94.183 112.550 1.345 118.929 -136.844 -PRO 20 3.800 142.276 44.099 1.345 100.401 -100.840 -SER 21 3.800 75.631 136.480 1.150 92.815 -61.131 -D 22 3.800 149.599 37.192 0.000 0.000 0.000 - -Geometry of the virtual chain. - Res d Theta Gamma Dsc Alpha Beta -D 1 0.000 0.000 0.000 0.000 0.000 0.000 -ASN 2 3.800 0.000 0.000 1.684 145.618 -125.733 -LEU 3 3.800 113.631 0.000 1.939 155.409 -24.771 -TYR 4 3.800 85.782 24.483 2.484 112.745 -81.837 -ILE 5 3.800 151.831 -113.629 1.776 165.715 -115.018 -GLN 6 3.800 117.409 -87.361 2.240 152.078 -63.687 -TRP 7 3.800 114.452 93.827 2.605 118.360 -22.480 -LEU 8 3.800 126.300 -134.031 1.939 145.585 -15.359 -LYS 9 3.800 125.750 13.654 2.541 153.150 -173.447 -ASP 10 3.800 108.680 -66.360 1.709 119.152 -92.625 -GLY 11 3.800 145.380 -123.927 0.000 0.000 0.000 -GLY 12 3.800 120.415 26.475 0.000 0.000 0.000 -PRO 13 3.800 109.696 -44.027 1.345 106.531 -104.107 -SER 14 3.800 121.466 133.096 1.150 158.643 -144.217 -SER 15 3.800 100.739 109.804 1.150 100.294 -65.507 -GLY 16 3.800 97.093 84.223 0.000 0.000 0.000 -ARG 17 3.800 120.367 -44.547 3.020 134.382 -63.795 -PRO 18 3.800 136.573 98.655 1.345 103.541 -84.772 -PRO 19 3.800 98.653 83.455 1.345 120.243 -130.590 -PRO 20 3.800 131.766 -177.887 1.345 120.336 -130.865 -SER 21 3.800 121.240 131.720 1.150 87.006 -53.481 -D 22 3.800 155.406 132.523 0.000 0.000 0.000 - -Geometry of the virtual chain. - Res d Theta Gamma Dsc Alpha Beta -D 1 0.000 0.000 0.000 0.000 0.000 0.000 -ASN 2 3.800 0.000 0.000 1.684 132.567 -133.855 -LEU 3 3.800 93.615 0.000 1.939 142.290 -20.776 -TYR 4 3.800 115.221 87.984 2.484 144.895 -7.216 -ILE 5 3.800 86.342 12.593 1.776 161.899 -134.767 -GLN 6 3.800 125.085 48.089 2.240 139.336 -102.195 -TRP 7 3.800 98.748 -131.429 2.605 152.483 -171.011 -LEU 8 3.800 115.863 137.648 1.939 167.438 -72.779 -LYS 9 3.800 119.620 149.547 2.541 153.063 -101.207 -ASP 10 3.800 91.739 -65.203 1.709 103.603 -78.872 -GLY 11 3.800 148.233 -87.999 0.000 0.000 0.000 -GLY 12 3.800 81.968 107.323 0.000 0.000 0.000 -PRO 13 3.800 124.247 -7.345 1.345 122.538 -129.356 -SER 14 3.800 118.935 -108.788 1.150 153.839 -35.421 -SER 15 3.800 99.800 6.756 1.150 177.465 -73.812 -GLY 16 3.800 107.486 -21.294 0.000 0.000 0.000 -ARG 17 3.800 129.467 -99.125 3.020 154.579 -179.409 -PRO 18 3.800 135.092 10.234 1.345 115.574 -116.245 -PRO 19 3.800 118.581 -115.679 1.345 124.738 -137.273 -PRO 20 3.800 122.305 101.982 1.345 114.774 -124.632 -SER 21 3.800 99.219 -5.341 1.150 108.326 -72.610 -D 22 3.800 95.075 115.443 0.000 0.000 0.000 - -Geometry of the virtual chain. - Res d Theta Gamma Dsc Alpha Beta -D 1 0.000 0.000 0.000 0.000 0.000 0.000 -ASN 2 3.800 0.000 0.000 1.684 120.928 -103.677 -LEU 3 3.800 127.372 0.000 1.939 156.480 -79.659 -TYR 4 3.800 124.955 -16.754 2.484 122.139 -18.204 -ILE 5 3.800 121.796 100.032 1.776 165.901 -133.672 -GLN 6 3.800 130.149 106.167 2.240 147.114 -83.214 -TRP 7 3.800 68.207 -112.207 2.605 143.830 -8.870 -LEU 8 3.800 115.929 -67.981 1.939 144.812 177.788 -LYS 9 3.800 124.192 144.067 2.541 138.014 -153.974 -ASP 10 3.800 104.391 135.548 1.709 150.888 -115.542 -GLY 11 3.800 95.404 -165.048 0.000 0.000 0.000 -GLY 12 3.800 106.569 9.388 0.000 0.000 0.000 -PRO 13 3.800 121.544 161.669 1.345 92.906 -122.962 -SER 14 3.800 93.253 25.925 1.150 150.901 -54.353 -SER 15 3.800 109.349 11.785 1.150 96.657 -61.077 -GLY 16 3.800 127.838 -114.209 0.000 0.000 0.000 -ARG 17 3.800 124.794 18.198 3.020 125.467 -25.754 -PRO 18 3.800 161.375 -62.139 1.345 118.181 -132.235 -PRO 19 3.800 124.074 74.531 1.345 87.040 -82.947 -PRO 20 3.800 66.084 -43.699 1.345 122.521 -139.880 -SER 21 3.800 127.446 148.253 1.150 142.701 -103.864 -D 22 3.800 123.921 47.767 0.000 0.000 0.000 - 200 conformations have been generated randomly. - Exitted from make_ranvar nconfr= 200 - Initial conformation 1 - 103.3369 104.3102 128.9945 101.3525 108.6383 104.0061 110.7378 112.9625 - 92.6822 103.1821 126.7175 115.6151 130.3635 101.5872 133.9914 109.4891 - 118.5172 109.5992 124.0601 126.1044 - 100.7179 -150.6321 48.7404 26.1968 -177.7047 1.9818 -7.9384 -61.0437 - 43.1620 -144.4047 118.9633 92.4803 -126.4988 102.1400 -111.6563 156.4407 - 18.7561 58.4587 -132.9460 0.0000 - 117.4334 149.0621 89.7900 162.5870 155.6873 147.3397 156.2056 157.8735 - 136.2628 0.0000 0.0000 129.6425 144.2926 139.4376 0.0000 142.8191 - 125.8851 115.7826 126.9167 99.3598 - -123.2817 -30.3261 -93.9726 -113.2104 -104.2558 -0.1925 -174.8496 -47.6621 - -116.5683 0.0000 0.0000 -137.7712 -124.3193 -83.9561 0.0000 140.0104 - -134.1127 -111.2731 -138.2864 -65.7622 - Initial conformation 2 - 108.0714 115.4306 88.5162 110.6982 87.3427 84.6233 89.8263 107.6341 - 122.1843 121.0297 111.6040 138.2016 91.1089 108.2165 126.3926 113.7308 - 75.8618 150.1791 171.0000 104.6285 - -46.5163 175.3795 -169.6050 11.2235 -164.0466 -40.2841 -14.6243 -70.9206 - 162.2602 168.5955 37.8488 -110.4306 -144.9512 -89.5046 56.9925 146.2566 - 148.4001 -98.5608 -102.7977 0.0000 - 137.5097 152.7622 144.9886 160.6438 144.1487 116.9917 144.6853 163.1910 - 146.9314 0.0000 0.0000 117.5962 154.4900 105.6945 0.0000 111.6374 - 91.2261 135.8177 160.3606 102.3532 - -123.6467 -96.1230 164.8071 -29.2672 -149.0104 -17.3421 -91.9975 6.2403 - -31.6219 0.0000 0.0000 -148.2749 -99.5686 -59.3019 0.0000 -66.4489 - -109.5373 -179.5533 29.8907 -66.6515 - Initial conformation 3 - 95.8053 98.6782 99.0412 86.0772 108.5788 140.1623 111.7712 124.9782 - 103.4387 133.4606 107.9513 106.5797 92.4444 121.3287 88.7903 119.3331 - 112.0649 124.1892 144.1888 125.1141 - 130.7139 83.6026 66.2933 168.6760 69.7274 -64.1046 55.4431 -17.3523 - 153.1552 -146.6800 158.3188 -8.1832 89.1380 73.0692 147.3801 38.5810 - -92.3458 72.7168 -161.2954 0.0000 - 139.6036 137.8415 138.1334 144.8317 135.9511 140.4142 148.3825 150.0112 - 133.5867 0.0000 0.0000 101.3402 158.6709 101.4281 0.0000 133.6873 - 119.9900 136.1681 134.2243 144.9878 - -145.5972 -94.3005 -147.9624 -84.0568 -34.2557 -123.1694 -49.3087 -120.1606 - -77.7219 0.0000 0.0000 -119.5615 -68.6616 -69.9745 0.0000 -29.6693 - -122.7464 -144.8265 -172.4889 -3.3900 - Initial conformation 4 - 113.2191 119.8628 115.2832 120.1091 122.2163 136.2768 114.0839 103.3859 - 116.7608 99.1863 117.2582 154.9830 101.8359 110.4134 133.4842 135.7042 - 157.6074 96.9337 61.3896 164.1000 - -102.5931 -150.2958 -115.0698 103.8131 61.9717 116.0131 24.6264 -157.2675 - 176.4240 172.8361 -85.9005 -108.7247 55.0279 107.3909 -27.9780 -124.1249 - 94.2413 153.4414 175.5568 0.0000 - 144.5472 145.7081 150.6618 159.7954 151.0221 143.1116 136.5877 126.9044 - 147.4456 0.0000 0.0000 124.4940 146.6698 159.3479 0.0000 117.5895 - 136.6756 100.0097 115.6981 85.8726 - -29.4783 -124.9161 -9.9135 -53.5831 135.6851 6.0437 -117.4656 11.2755 - 4.5695 0.0000 0.0000 -179.0208 -64.9043 -122.1787 0.0000 -83.7035 - 162.5338 -111.1376 -88.6868 -41.1470 - Initial conformation 5 - 120.0824 114.5962 117.2955 100.2541 93.2540 116.4988 92.5875 121.4114 - 93.7021 107.4535 119.9979 93.3809 127.4418 103.4725 146.0904 96.8170 - 122.6062 74.1075 128.7454 84.4360 - 154.5451 132.5161 162.7110 -79.2654 119.9001 93.7880 -24.6826 -110.4446 - 177.7823 -138.2594 141.7308 101.7821 94.5456 -78.5105 157.9891 -84.6793 - -48.9188 83.6616 -177.2002 0.0000 - 142.6187 147.0307 108.9924 149.5634 143.3030 145.0744 155.4331 131.8366 - 142.2363 0.0000 0.0000 90.1697 96.7857 127.4773 0.0000 160.1699 - 124.5687 91.7356 124.6224 118.8541 - -52.8548 -114.6795 -99.5934 -68.5673 -130.6647 -17.9796 -0.9880 -150.4456 - -90.9612 0.0000 0.0000 -107.5419 -61.3271 -33.6679 0.0000 102.3659 - -131.2303 -102.5557 -135.0250 -83.4995 - Initial conformation 6 - 139.2208 120.0552 135.4163 123.3917 93.4889 158.2824 162.5915 118.4256 - 97.8772 127.4442 162.6685 134.9276 147.0889 109.1832 112.1542 123.1868 - 111.7367 82.9191 88.0479 124.9818 - 71.8391 -41.5209 30.6655 -111.7862 28.3774 89.7910 -129.5167 -114.3788 - -143.2830 -1.4180 140.1917 107.5965 -64.3793 -84.9921 -69.1958 -107.3816 - -151.4554 -163.6345 -175.7244 0.0000 - 158.9058 140.0891 113.4240 158.8614 125.2942 87.4426 108.2132 165.9416 - 151.5629 0.0000 0.0000 122.7013 114.1308 93.1914 0.0000 136.6812 - 117.7270 100.1210 100.3407 142.3693 - -33.1378 -127.9799 -95.1287 -84.0808 -115.3607 -63.8701 -56.7826 -121.9354 - -29.1270 0.0000 0.0000 -135.7773 -84.3178 -57.9033 0.0000 -167.9057 - -117.1368 -107.3913 -107.3230 -94.1762 - Initial conformation 7 - 100.2780 118.2298 120.0058 165.6527 108.3815 115.4157 109.9538 119.8323 - 90.3864 109.3858 152.6577 110.7810 96.2893 145.7828 130.4496 114.0434 - 113.6738 109.6883 147.6598 106.2017 - 139.4617 41.8065 -21.6653 -81.3111 -93.0682 -169.8420 -24.4492 46.1460 - 118.5426 -63.9562 72.9262 141.3796 -70.4444 -170.6739 55.6106 -64.9190 - -81.0029 -84.5035 -15.1618 0.0000 - 141.7552 155.8971 126.9893 151.1263 149.0701 133.6313 154.8294 165.5472 - 151.9387 0.0000 0.0000 120.1234 144.2276 83.2409 0.0000 145.3634 - 113.9368 118.2215 132.5466 134.1320 - -132.6505 -151.8955 -134.3219 -81.4538 -170.1002 -146.6622 -112.8332 -161.2603 - -153.4784 0.0000 0.0000 -120.9281 -29.2731 -57.1564 0.0000 -66.8829 - -116.5167 -117.0241 -170.2792 -97.7146 - Initial conformation 8 - 103.1104 90.4376 154.4309 83.6688 91.5571 134.9611 134.8125 97.9588 - 77.6588 130.8614 118.3248 95.9793 122.3761 100.9121 169.1187 95.9938 - 113.8237 135.4264 58.6555 146.4559 - -128.5800 -131.5534 128.0464 -76.9992 -46.2840 -133.3862 64.8407 134.7492 - 167.3492 46.6629 175.9311 74.7303 139.0210 160.8683 -25.7436 -164.5127 - 30.9025 -111.1361 -24.8175 0.0000 - 148.1395 173.8926 102.9295 146.6231 148.7886 168.9588 137.8172 173.0120 - 160.2506 0.0000 0.0000 103.3443 153.5501 138.9776 0.0000 141.6533 - 111.4510 124.7767 89.8266 88.6248 - -174.5953 -127.5743 -85.7583 -84.0590 -100.1536 161.9928 -166.5942 128.1884 - -93.6084 0.0000 0.0000 -117.0082 -140.4091 -45.0285 0.0000 -136.6648 - -113.7896 -142.6319 -89.8454 -65.4725 - Initial conformation 9 - 101.7244 97.6252 117.1513 114.0330 146.3421 160.1412 92.2444 103.8763 - 88.4200 128.9071 128.4202 87.7497 102.2639 129.8606 138.4010 134.4904 - 96.1934 89.1229 55.2138 137.8949 - -67.2629 172.6806 74.9482 -156.2920 -115.3938 -93.8193 -76.0466 159.6316 - 179.3625 -66.2836 147.3035 -136.1167 0.2543 110.3719 -98.5463 144.1218 - 34.3628 120.6101 -158.3090 0.0000 - 135.1665 144.7825 138.9575 162.8953 159.7432 91.4658 156.4160 156.2602 - 159.4313 0.0000 0.0000 108.1648 136.6738 124.5068 0.0000 129.7603 - 98.8894 110.1881 115.8816 98.6958 - -117.4280 -28.5722 163.7277 -71.1163 -108.9640 -101.2268 -101.1039 -134.1985 - 29.7100 0.0000 0.0000 -119.0179 -74.1813 0.3489 0.0000 -133.2530 - -98.3078 -106.1108 -89.7552 -67.1760 - Initial conformation 10 - 97.1674 93.9524 111.9451 126.2819 104.7922 127.1525 155.5865 106.8809 - 103.8354 120.6656 106.3816 127.7952 96.5062 103.2827 119.1395 121.5183 - 143.7953 123.3422 91.4889 90.4214 - 48.1991 -156.1380 26.0988 -104.1927 -93.8720 24.8315 113.7210 -72.3412 - -3.4130 172.6957 -79.5620 7.8900 37.8694 55.6907 -59.7217 95.9253 - -148.2391 -50.3416 156.2519 0.0000 - 139.0854 162.2818 145.8806 167.1399 127.2921 148.9307 107.5049 128.6042 - 146.0275 0.0000 0.0000 111.8924 127.3374 154.5967 0.0000 171.1512 - 118.4374 120.9978 103.0632 111.3741 - -145.8782 -25.8308 -161.3325 163.9331 -128.6334 -66.5390 -44.6000 -78.8130 - 5.1087 0.0000 0.0000 -121.3293 -113.5706 -58.5017 0.0000 137.1916 - -133.5139 -134.4202 -135.8168 -60.6594 - Initial conformation 11 - 119.4610 90.5901 145.3979 151.3280 94.4598 114.8895 97.6598 109.7687 - 133.0724 139.8830 107.5551 106.4687 128.2009 123.9507 123.7578 95.9145 - 69.6631 124.5784 138.2533 102.0673 - -114.2846 -91.0631 54.8402 167.0353 106.8805 155.0926 43.9087 84.8294 - -31.9613 15.9944 162.5179 108.0391 -70.5983 120.1765 15.2568 169.1174 - -41.1580 -113.2488 78.5356 0.0000 - 146.3344 154.5894 99.9881 130.7627 127.5954 162.8822 147.4467 166.7413 - 115.3147 0.0000 0.0000 123.1775 82.1541 130.2268 0.0000 131.0901 - 104.1379 118.3747 121.4848 104.4438 - -155.8257 -12.6323 -75.4596 -74.1069 -87.4935 175.7056 -168.7784 -121.2424 - -78.7313 0.0000 0.0000 -123.1390 -61.2881 -121.1538 0.0000 -68.4246 - -112.4342 -129.7549 -143.1843 -67.5090 - Initial conformation 12 - 127.1502 91.8426 116.0155 78.7911 110.4144 132.0944 109.4717 129.9362 - 114.8607 104.9549 143.5595 139.4397 123.7608 92.0628 102.4979 97.9073 - 132.0734 89.1286 165.9468 125.5103 - -114.9184 -119.8321 -134.6598 -72.5942 -17.3263 -89.6985 136.9049 -116.4902 - 145.7781 71.7868 131.4784 94.9358 151.0334 113.7602 -88.8814 104.4204 - -173.2807 -48.9176 -118.5231 0.0000 - 144.2972 161.3222 164.9724 148.6871 150.5949 152.0698 154.3962 153.4768 - 118.5690 0.0000 0.0000 130.4921 145.9370 159.2971 0.0000 140.9322 - 125.1800 112.5033 146.2947 95.5188 - -18.5096 -14.0528 -172.7953 -75.3355 -58.7554 -102.6498 -126.2567 -12.8627 - -76.2284 0.0000 0.0000 -151.9580 -100.5063 -67.2849 0.0000 20.8094 - -142.9673 -98.3055 115.6777 -54.8536 - Initial conformation 13 - 112.7387 86.8762 125.6282 100.1079 87.4978 112.0870 153.5160 139.7283 - 155.1869 110.4506 79.7438 141.9077 92.9472 133.8454 101.6496 98.5802 - 79.5207 104.9216 133.3182 130.7018 - 5.4644 -135.5766 149.4788 147.9230 135.7894 144.5478 48.9577 -2.4283 - -113.3479 179.6130 -52.5179 -5.3928 71.5914 13.1709 -4.0846 127.5071 - -141.8516 122.3654 -84.7620 0.0000 - 126.6896 156.9466 146.4169 134.1447 145.3577 116.2491 96.6586 143.9741 - 110.7067 0.0000 0.0000 131.9351 102.3810 128.9551 0.0000 133.7121 - 102.2353 96.0499 123.0505 102.9492 - -115.8502 -166.1336 170.9089 -88.7538 -79.9773 -14.4442 -40.1761 -84.9344 - -95.1537 0.0000 0.0000 -161.4838 -82.1113 -80.0860 0.0000 -140.2430 - -128.2821 -109.0449 -132.9897 -70.8675 - Initial conformation 14 - 90.7271 136.5823 143.2493 103.3732 137.9606 111.8673 125.2608 121.8533 - 104.9275 133.1682 117.1804 123.3011 103.9916 82.7705 141.3343 138.0521 - 110.7282 130.6504 45.9546 133.3904 - 2.8916 -121.4409 168.8862 73.8319 23.4711 77.8752 -37.7228 -156.4450 - 6.1293 130.7261 160.2813 131.8734 165.0061 -51.6459 106.9637 18.6024 - 158.5240 23.5334 97.0204 0.0000 - 151.3736 127.7602 110.8054 171.0180 144.7027 102.9017 147.0642 148.7579 - 151.4783 0.0000 0.0000 121.3587 154.0179 164.6471 0.0000 152.8251 - 123.7902 120.6802 110.5518 109.2647 - -158.7943 -49.3807 -104.8159 171.2002 -108.5479 -88.3005 -30.8754 -95.9846 - -5.7109 0.0000 0.0000 -136.0601 -15.3390 -41.1833 0.0000 155.2540 - -130.2894 -137.1628 -74.7234 -72.6808 - Initial conformation 15 - 126.5652 93.5991 121.9494 113.5827 95.2408 104.6017 93.5262 107.2424 - 109.7607 127.8985 96.8635 100.6226 129.5047 117.2068 97.0828 123.8857 - 107.3984 123.2785 130.7371 96.3412 - -50.5097 -169.9080 62.2260 -160.4449 133.7845 -98.2458 113.9182 48.0982 - -151.5585 -14.3102 -71.8346 -137.2797 127.4634 172.6709 160.3249 -152.0281 - -79.8321 10.0459 -40.5384 0.0000 - 159.8022 156.0155 99.5735 172.4463 134.6871 158.1193 159.6154 153.3444 - 148.8086 0.0000 0.0000 101.9710 132.2770 147.6531 0.0000 154.1075 - 108.1329 117.7522 115.7392 160.9257 - -36.3647 -152.7044 -101.4006 -161.2529 -109.2404 -170.1299 -96.3080 165.5724 - -8.6921 0.0000 0.0000 -114.4272 -57.6290 -24.5385 0.0000 -141.7728 - -102.7081 -124.2824 -135.3656 -110.1991 - Initial conformation 16 - 102.1358 112.2091 141.9787 104.5427 113.9251 112.5200 139.6570 106.6201 - 92.2947 135.3344 108.6731 113.1058 90.5839 135.0532 125.4739 109.7400 - 109.6720 86.4941 132.6842 103.5730 - 119.2457 122.0039 -163.1346 -17.0944 108.5528 80.2242 -33.6577 -92.9468 - 141.8832 -165.3215 -167.5192 -121.7485 127.4480 -2.2543 -11.2333 70.5751 - 158.2861 -116.5820 -154.3497 0.0000 - 164.3898 160.1649 147.4367 126.6460 136.0650 147.8055 129.3233 130.1925 - 140.1014 0.0000 0.0000 121.9999 156.9526 103.0984 0.0000 153.4001 - 117.3006 90.8517 123.5991 94.3445 - 28.0720 -121.0814 -149.0611 -65.4086 -103.2255 -8.2945 -66.0823 -82.8874 - -133.7546 0.0000 0.0000 -123.1590 -78.6390 -54.0957 0.0000 -68.1919 - -120.3213 -112.9938 -132.2311 -72.1332 - Initial conformation 17 - 94.0503 88.5207 116.8158 145.3733 127.3232 127.2520 101.6632 106.3062 - 102.5018 118.2356 116.0503 131.3889 111.4310 127.2201 151.8412 104.9912 - 152.3052 129.2526 74.6391 171.0000 - 130.8096 -170.9706 -17.3857 32.8806 22.7483 35.4271 -44.3482 148.1928 - -26.5867 121.1319 -85.4881 -148.7116 -162.0404 51.5989 -116.3054 92.7116 - -142.2646 78.9531 -58.7311 0.0000 - 147.2933 150.2764 145.7608 134.4800 179.9950 138.6130 155.0254 150.2226 - 135.0479 0.0000 0.0000 125.9506 103.1430 152.3661 0.0000 116.5403 - 131.4764 126.1175 96.6174 45.9511 - -104.1683 -128.4197 -146.1193 -73.0686 -78.4522 3.7198 -7.0681 -85.9830 - -83.1192 0.0000 0.0000 -147.0181 -70.2837 -93.1004 0.0000 -134.1559 - -172.1091 -137.0651 -107.2004 -38.8833 - Initial conformation 18 - 113.3206 143.7222 164.1710 159.6964 95.0731 119.6665 156.0285 117.3956 - 110.5664 123.6608 80.2727 138.5764 101.2488 105.8768 124.8204 93.6286 - 111.2338 131.4332 107.2383 94.3380 - 133.1075 -14.8214 -160.8272 -55.0714 -55.9542 -125.0409 -57.0884 -49.6512 - 68.4962 61.6301 32.4220 166.3526 -73.2902 -41.5627 -66.9812 175.2108 - -40.3778 -121.6261 78.4348 0.0000 - 140.9570 128.0812 99.4143 141.1868 125.1032 101.5732 119.1459 154.9239 - 110.0452 0.0000 0.0000 117.4066 157.9196 108.6187 0.0000 143.0726 - 115.1647 112.8489 110.7723 105.3369 - -141.2975 -62.6782 -77.9485 -88.3162 -146.3401 -96.2034 -60.1937 -111.7941 - -97.1529 0.0000 0.0000 -135.2434 -70.0666 -70.9576 0.0000 -20.5250 - -112.3119 -128.9807 -108.6169 -70.8452 - Initial conformation 19 - 85.8919 102.7406 121.0008 127.7245 118.6194 160.9010 138.4728 132.6550 - 98.2873 106.7084 133.6570 147.1003 123.7374 97.5573 115.1708 104.9019 - 124.7298 109.5952 90.1114 116.3483 - 134.6850 -131.7822 122.9195 -68.4456 -95.8044 19.5726 -109.7173 85.7238 - 71.7664 173.5792 19.7201 -76.5192 -91.6125 -157.0764 -156.0399 -1.1827 - -37.4907 50.7561 122.4128 0.0000 - 148.3836 143.8626 128.4915 169.4409 161.7855 87.4427 139.1149 130.5349 - 132.9475 0.0000 0.0000 129.7247 152.7666 140.1038 0.0000 141.3884 - 111.4380 129.7713 101.1358 134.9702 - -128.2699 -116.8158 -37.7152 -89.9841 -91.3409 -61.3614 -64.4492 -10.8541 - -123.7681 0.0000 0.0000 -162.2908 -105.3212 -100.3195 0.0000 -80.5696 - -116.5289 -136.2800 -125.6925 -91.5071 - Initial conformation 20 - 85.2820 126.3804 100.2199 124.3921 116.7740 129.1753 107.6638 132.9497 - 154.4399 112.4403 132.3481 113.4648 96.2124 160.3070 122.2120 146.6314 - 112.6586 136.9850 112.0617 113.3032 - 115.3172 9.3111 -157.7711 164.5232 148.5016 -73.7342 -148.5841 -163.3691 - 170.0104 -2.1915 -28.2010 134.9868 -103.2229 95.1107 -134.6294 168.4515 - -41.0885 -133.9159 -170.5220 0.0000 - 167.7372 134.0294 138.3791 163.4987 134.2481 165.9127 137.5917 164.0857 - 102.8737 0.0000 0.0000 126.7347 166.7885 90.2487 0.0000 138.2591 - 116.2059 118.3544 116.0054 106.5351 - -15.3548 -103.5502 -166.2250 -116.6549 -44.6345 151.0688 -88.5810 -79.5184 - -74.7808 0.0000 0.0000 -130.4658 -48.1593 -58.7677 0.0000 -132.6937 - -120.9734 -141.3823 -118.1119 -62.7238 - Initial conformation 21 - 126.6945 98.3601 129.6784 100.6322 121.6136 164.8130 128.9129 122.3551 - 71.0060 130.2878 158.4533 127.0282 132.0445 93.1276 168.4956 143.5561 - 154.8408 141.7678 117.2729 86.4435 - -143.7549 10.0588 143.9825 -53.8032 -170.9886 156.1355 -134.2958 -42.0109 - -136.8995 14.5246 88.4525 -18.1288 49.3560 48.3090 -156.5198 -112.4545 - -101.7516 -6.4096 -112.9089 0.0000 - 150.2120 154.1866 128.2360 140.5922 163.7296 75.3138 139.4667 145.1152 - 154.3800 0.0000 0.0000 136.5893 130.3365 167.0891 0.0000 136.2606 - 127.7159 135.2054 116.9508 163.8299 - -46.9535 -87.0363 -129.6583 -80.9430 -89.4730 -54.9602 -56.0576 -20.2112 - -81.3407 0.0000 0.0000 -148.1090 -113.1854 -135.1333 0.0000 -31.0852 - -171.4668 -167.6580 -123.2207 20.7596 - Initial conformation 22 - 95.0051 113.6248 131.6699 100.5483 111.1720 130.8879 94.5818 115.9012 - 81.1074 119.0258 105.4547 121.5229 126.6861 104.1738 131.2634 155.3208 - 157.6453 128.9826 84.8219 131.4836 - 53.9153 -68.9615 -142.3225 93.1652 -71.6458 -97.2292 -25.0249 -125.7587 - -79.7198 -173.5073 4.1320 3.8698 -87.4148 -6.7051 -18.5964 -151.7599 - -62.7063 74.9098 -62.1879 0.0000 - 157.2982 140.3421 126.8619 151.9286 146.1020 120.5426 150.0578 138.8834 - 138.4253 0.0000 0.0000 117.4979 91.0708 133.7818 0.0000 118.0384 - 132.7756 123.1707 97.9587 130.8064 - -21.0071 -68.7065 -135.1130 -97.6298 -68.7752 -31.0194 -159.7696 133.3283 - -127.3502 0.0000 0.0000 -114.5783 -71.6509 -89.1070 0.0000 -153.8652 - 164.6461 -135.5360 -96.9732 -108.9864 - Initial conformation 23 - 91.5991 90.2494 109.1229 131.6362 100.6779 115.4096 122.7934 85.8097 - 142.8915 129.4045 125.3624 134.2545 140.0415 133.4546 146.3073 91.5178 - 124.1264 108.4311 120.2303 107.8314 - -19.2663 -163.1537 -88.6615 71.1200 178.1601 -98.2819 103.7972 154.9585 - 5.6826 -15.2846 -6.1167 131.4600 154.1996 -176.4766 80.2919 -71.6173 - -0.3208 171.2904 -1.7757 0.0000 - 129.9853 157.5367 143.5102 160.3257 150.8708 119.3455 131.2147 144.0280 - 122.5400 0.0000 0.0000 122.2281 93.5297 108.3713 0.0000 136.2926 - 113.2018 122.3505 124.3749 126.2426 - -144.5057 -158.6293 -1.0650 -141.0890 -96.5309 -13.5614 -74.6829 157.5073 - -82.6472 0.0000 0.0000 -131.9280 -63.6147 -68.3072 0.0000 -34.4083 - -120.4735 -119.8565 -131.7239 -66.5826 - Initial conformation 24 - 104.2261 131.5545 119.1904 166.1988 123.4337 101.7882 112.4221 87.6836 - 91.4375 121.1265 109.1326 93.2528 89.2985 113.4618 125.9560 117.1501 - 136.3664 116.2705 112.6216 93.1435 - 34.2164 -81.9838 -22.6446 -95.8420 19.6882 -82.7684 -30.5776 -129.9746 - 37.9438 -119.9554 -155.0531 127.6288 -138.7393 -164.6584 -179.3778 -116.7379 - -109.4993 -148.3333 39.8123 0.0000 - 107.5269 143.5898 100.6512 147.5266 132.7585 141.8755 151.8984 163.8785 - 156.3818 0.0000 0.0000 100.3424 159.6721 96.8721 0.0000 148.8930 - 130.7912 114.0899 116.1798 115.5927 - -83.4901 -71.5167 -90.1619 -55.7004 4.0608 -26.0256 -103.5402 97.5108 - -31.3945 0.0000 0.0000 -122.3089 -70.7592 -65.9027 0.0000 126.5135 - -149.8210 -116.4950 -121.8293 -65.9651 - Initial conformation 25 - 95.1617 76.7646 117.0403 125.8306 145.4538 114.8873 94.0090 74.5549 - 96.1480 155.3086 113.8563 102.8881 87.9553 111.1120 118.5051 162.4361 - 110.6207 167.6918 117.8499 95.7562 - -27.0034 61.9237 -97.4718 -87.4373 -19.2924 -91.2755 -119.0903 163.2897 - 168.2109 5.1993 -163.3115 143.5997 -87.5241 -152.8287 -175.8631 83.0155 - 167.8129 -133.5409 -156.8520 0.0000 - 141.6418 165.4671 142.8341 134.4308 153.0234 132.2540 166.4413 141.2420 - 141.4884 0.0000 0.0000 98.5329 168.7023 115.5055 0.0000 119.8462 - 118.4928 149.9524 127.4439 110.1343 - -18.1532 -125.6452 -172.5890 -80.2253 -153.5813 -171.1974 -5.9570 175.3581 - -147.5135 0.0000 0.0000 -111.9484 -107.4151 -45.3729 0.0000 -55.4303 - -119.4551 91.0358 -134.5859 -79.2294 - Initial conformation 26 - 121.4090 93.0381 116.0224 116.2530 128.5762 140.8461 76.9340 108.0552 - 121.2447 136.4683 116.2018 147.5201 146.1078 113.1561 138.6721 103.7006 - 153.0973 85.0368 136.0872 96.7330 - -128.4371 95.1871 25.0893 97.9353 -178.9704 42.9670 93.1875 88.8298 - 51.3544 7.0417 -51.2010 11.0220 -146.4780 63.2198 -126.8355 -136.3397 - 11.7640 127.3548 67.6240 0.0000 - 152.6427 146.4244 145.3422 166.7078 131.7368 156.3674 151.3455 156.1946 - 129.1335 0.0000 0.0000 126.7842 94.7517 139.8393 0.0000 139.1334 - 139.9122 87.6452 125.1817 144.6383 - -20.3793 -123.7985 177.7100 -51.1977 -127.3126 12.2699 -9.0859 -56.8746 - -88.4106 0.0000 0.0000 -162.5705 -52.9605 -105.5300 0.0000 -177.7850 - 174.1290 -93.9230 -147.4895 -88.6969 - Initial conformation 27 - 90.5247 135.4157 129.7846 105.5950 133.7473 168.6953 87.3862 134.4026 - 104.9747 117.6587 143.0757 107.7643 96.4578 100.1351 96.9606 124.5955 - 83.0494 117.1452 144.5546 136.1249 - 116.4237 19.6968 -16.2720 -45.7542 122.5004 128.3086 -51.9054 -167.9643 - 154.0576 62.5805 -148.2775 -84.7635 141.7295 12.5511 126.2993 124.8525 - -167.1854 -148.2091 89.7855 0.0000 - 133.1317 142.3406 112.5472 156.6847 160.2471 60.9709 155.1549 129.4784 - 149.3857 0.0000 0.0000 118.8770 128.6115 158.4547 0.0000 135.4232 - 97.7471 126.1772 133.8622 137.7368 - -136.9390 -128.8614 -91.1902 -120.7522 -103.1255 -37.4870 -154.0752 -168.0503 - -95.5092 0.0000 0.0000 -114.3934 -76.9495 -52.3945 0.0000 -33.9340 - -85.8016 -133.0715 -178.6251 -123.7851 - Initial conformation 28 - 98.1492 92.9220 143.5116 114.3589 129.6614 112.4126 105.6505 136.2360 - 81.3786 135.6653 134.4490 95.7344 121.0544 136.6847 129.7410 127.6769 - 148.2207 127.9416 141.9463 116.4097 - 160.4949 162.0047 -135.5905 -6.6483 118.7639 54.4958 28.1945 122.7699 - -75.2213 -169.6148 -99.2895 55.2210 35.1849 -111.8693 -113.5581 99.3824 - 4.1428 55.6109 15.8227 0.0000 - 140.1581 157.7308 114.4940 162.0365 157.3531 159.0393 141.7263 177.8221 - 147.5433 0.0000 0.0000 102.1342 92.5398 93.5721 0.0000 140.9403 - 126.5150 129.8273 129.3422 98.8432 - -170.3598 -112.7532 -87.5568 -22.1949 -176.4699 179.1210 -126.2171 -85.4963 - -104.9842 0.0000 0.0000 -93.0416 -67.6798 -71.0196 0.0000 -87.9587 - -158.8738 -139.1620 -158.4107 -68.0918 - Initial conformation 29 - 87.1840 120.5752 88.6554 114.0415 113.9392 145.4490 132.5806 131.4814 - 94.7246 147.3286 120.0712 93.6211 104.6151 136.9133 110.2529 121.1282 - 90.9952 102.5894 104.5257 127.8976 - -54.5547 30.4863 93.5172 -125.1948 168.1311 26.1775 -133.0698 -75.2001 - 85.5954 -111.0858 35.4672 -116.2468 69.2033 -147.1274 80.7116 137.9883 - 178.5243 -168.0958 114.2374 0.0000 - 163.0919 134.2864 121.4308 161.0674 124.5717 90.0112 132.8351 146.3656 - 138.9243 0.0000 0.0000 133.2798 151.0894 93.4650 0.0000 127.1824 - 87.6414 127.2835 87.6130 95.0969 - -10.7450 -101.3060 -165.6647 -103.9588 -52.7730 -66.2908 -30.6298 -59.3501 - -2.7910 0.0000 0.0000 -125.7464 -33.2237 -68.6229 0.0000 111.2410 - -95.4344 -128.8589 -120.8952 -60.1720 - Initial conformation 30 - 135.7865 128.9929 128.3320 98.1114 73.6093 119.0856 89.3464 77.4908 - 123.1405 138.8317 131.6356 144.1871 98.4777 123.8761 104.3622 132.7443 - 89.2808 64.3951 119.2855 135.5850 - 22.7417 1.0934 147.6217 121.1836 17.0496 -84.1494 -49.1788 -155.9095 - 45.0731 167.3723 163.6652 -43.7899 -96.6799 -36.9004 -40.5607 -15.5847 - 67.3866 -85.5457 -97.3615 0.0000 - 142.8168 156.6349 141.5828 161.6915 159.0072 142.2416 158.0405 164.1613 - 140.1923 0.0000 0.0000 127.2152 113.8318 100.8501 0.0000 111.7788 - 99.2499 90.3530 112.8443 92.0086 - -106.6142 -119.1659 -156.2878 -114.8088 -161.2170 -177.6760 -92.9918 -55.1043 - -23.2490 0.0000 0.0000 -163.0570 -69.1298 -66.6771 0.0000 -4.6951 - -94.4522 -95.2861 -116.5708 -64.3069 - Initial conformation 31 - 109.7693 102.0792 118.8513 113.4423 109.4554 96.5829 85.2359 97.4806 - 88.7036 132.4864 119.2015 71.9569 104.2955 97.7032 157.2499 156.2658 - 100.3311 120.1986 128.0363 152.0409 - -143.2739 -137.2167 -81.7276 68.2845 90.5064 52.0701 -60.0951 139.6423 - -50.3371 115.1514 141.8014 109.7783 21.6026 41.3087 92.4444 -51.3052 - -55.7229 134.7944 85.0909 0.0000 - 151.3382 146.9572 151.6596 168.6510 151.7598 144.1956 154.0424 141.2539 - 134.7081 0.0000 0.0000 93.7849 145.5363 161.9920 0.0000 127.5639 - 111.7987 118.2289 124.1063 90.6698 - -146.4188 -43.4345 -133.1271 -146.1569 -133.3754 -136.9283 -123.7490 -119.7358 - -139.8076 0.0000 0.0000 -76.4652 -78.4082 -62.7143 0.0000 -142.6346 - -108.7178 -127.6292 -139.9149 -51.3861 - Initial conformation 32 - 91.8694 89.4386 167.8296 150.9645 108.8539 130.3306 127.9160 110.2524 - 89.1954 129.9904 119.3880 149.9251 113.0776 124.3107 146.2747 84.8035 - 113.9240 124.1446 132.8813 107.8842 - 96.1489 102.5295 61.4252 -130.0537 106.4755 44.5353 -28.6988 153.4996 - 1.9887 -176.1352 71.7643 66.3841 4.3228 -14.8323 -48.0910 128.2907 - 136.6494 98.2052 -31.7743 0.0000 - 144.6785 131.4963 92.7884 152.5343 150.3124 91.8994 130.9894 138.5707 - 135.2398 0.0000 0.0000 127.1782 133.9104 136.6436 0.0000 135.9730 - 125.4200 111.0351 127.9214 106.0176 - -121.6448 -87.2793 -60.6825 -100.0069 -56.1474 -57.2734 -43.9392 -97.6020 - -153.7415 0.0000 0.0000 -163.8098 -82.0587 -33.1652 0.0000 143.6595 - -127.3196 -117.4406 -139.5260 -59.5478 - Initial conformation 33 - 113.0349 111.3758 113.9428 136.8321 127.6720 124.9379 112.8454 80.0630 - 171.0000 91.0286 119.1954 156.8120 96.8618 125.6518 111.5026 103.8539 - 133.9757 134.7328 89.4620 95.0563 - -71.4876 137.7011 -24.0282 52.0099 -37.3092 -126.1114 -69.9811 28.5109 - 72.7664 164.5604 -174.5600 -59.4296 -176.7582 4.8155 -173.8564 -126.9152 - 84.1757 -151.1939 -98.9550 0.0000 - 130.1277 151.0884 139.2777 137.7150 129.7115 122.9276 145.9981 154.0782 - 72.7352 0.0000 0.0000 145.1724 112.6394 145.6416 0.0000 141.7973 - 127.0753 126.5203 96.6550 107.8940 - -113.8479 -37.6987 -152.5702 -92.1214 169.0341 -27.8231 -32.2444 -35.3065 - -75.8252 0.0000 0.0000 157.1856 -64.2641 -140.1764 0.0000 -149.7394 - -145.5527 -144.4525 -100.2965 -65.9786 - Initial conformation 34 - 126.0030 106.9805 101.0514 106.6490 112.8844 125.4499 94.4197 127.0381 - 94.0496 137.9579 122.8022 92.3805 96.0971 140.4204 121.2786 149.2804 - 101.0107 130.9460 136.9540 118.6236 - -117.5826 155.1313 20.3048 -70.0134 135.3397 21.7341 -51.4588 142.7201 - -90.4502 111.5969 -80.0415 -147.7969 -20.4099 -27.1263 -95.1658 -83.9876 - 84.2504 90.0114 -168.8951 0.0000 - 143.8084 145.4599 160.1956 171.4119 158.0577 154.8029 153.1492 138.1149 - 179.5037 0.0000 0.0000 106.1044 157.2220 132.3221 0.0000 125.0720 - 101.0990 107.5947 132.5967 136.3890 - -128.4050 -13.3410 166.2942 -136.7282 -172.1972 -171.9311 -141.3335 133.0118 - 10.6275 0.0000 0.0000 -107.5487 -46.6264 -75.9567 0.0000 -169.1973 - -113.9639 -117.8429 -155.5677 -23.0358 - Initial conformation 35 - 92.8024 126.8246 134.1227 102.5316 92.8700 121.9241 124.1771 125.4029 - 93.1472 142.3609 135.1730 84.7463 107.7334 112.9642 97.4154 137.9324 - 108.1378 97.9908 126.8210 93.0795 - -26.6417 129.9481 63.5717 12.1354 -138.5187 5.8284 -5.8631 -70.6727 - 13.6990 -1.7693 95.2635 4.7682 94.0665 35.4190 22.1302 159.8355 - -135.6857 16.5316 -139.2856 0.0000 - 155.4361 139.9204 143.1362 158.5762 165.9460 142.5698 146.9286 157.5327 - 125.6254 0.0000 0.0000 102.2231 149.9841 150.5015 0.0000 115.8662 - 122.8911 112.8379 119.0608 106.5384 - -150.2404 -75.1416 -143.5271 -39.4513 -115.4386 -144.8418 -39.3705 -138.8752 - -79.6754 0.0000 0.0000 -88.8340 -74.7001 -0.6656 0.0000 -48.6855 - -125.9718 -127.5006 -127.6357 -67.2722 - Initial conformation 36 - 89.0888 117.2556 127.3061 99.7104 128.7230 164.4993 93.4271 143.2572 - 105.4366 126.5255 139.3763 148.1611 114.0184 92.2950 120.5577 96.3449 - 113.2502 156.6650 129.0790 67.1705 - -72.9031 56.6832 101.3877 -172.4649 -109.4811 -159.8953 49.1427 177.8378 - 124.9770 -107.1336 -25.0023 -134.5365 101.9997 20.1751 51.6319 146.9218 - -20.2865 -44.6970 -123.6549 0.0000 - 136.2830 150.1716 141.8660 134.8594 147.8762 66.1471 154.4672 169.9049 - 147.8404 0.0000 0.0000 122.0039 133.6892 129.6086 0.0000 160.7498 - 115.3233 127.5386 128.4411 108.2543 - -151.1945 -19.7371 -153.4814 -93.8740 121.1461 -41.8209 -20.7604 -140.9975 - -25.6712 0.0000 0.0000 -146.9894 -66.7446 -39.9886 0.0000 89.0143 - -119.5446 173.2825 -136.9781 -62.0544 - Initial conformation 37 - 103.8747 113.0883 139.7466 110.0656 110.4893 120.1841 140.2839 89.4863 - 107.1357 116.8182 147.0592 123.6635 92.8708 105.3420 157.4199 123.2782 - 137.6105 117.7089 98.8729 98.4472 - 52.5308 38.4396 -178.5893 -113.1735 23.1964 -138.0771 39.3480 119.4949 - -81.5800 168.2143 -76.4016 115.7114 91.7402 -168.4760 173.7416 1.4207 - 69.3143 26.0092 70.0472 0.0000 - 141.2574 154.5385 139.4689 172.0446 154.6931 137.3045 141.2528 134.6868 - 124.9457 0.0000 0.0000 113.1459 167.0737 161.2146 0.0000 142.9970 - 137.6691 130.1218 108.1449 147.2015 - -14.9519 -110.7964 -129.1443 -111.5668 -122.0799 -10.5006 -91.6756 -132.3741 - -100.2869 0.0000 0.0000 -128.2513 -115.3316 -102.2688 0.0000 -83.3856 - -160.9627 -132.1587 -125.4448 -143.2338 - Initial conformation 38 - 133.6074 89.0738 105.6641 93.3398 105.3134 125.9635 120.6560 116.0573 - 95.7425 103.6405 97.0163 119.2468 138.0670 137.2152 152.8818 112.4185 - 111.8405 126.6734 129.4485 120.5365 - -163.0425 -88.2701 84.8817 80.0565 113.3873 -152.1828 -51.1741 -144.4204 - 107.7228 -106.1933 -18.2541 131.4515 101.1740 86.5755 15.8448 -126.2693 - 63.2642 -116.1862 -177.6662 0.0000 - 149.4497 161.6689 135.7217 152.6403 148.3377 156.7040 161.2040 147.1624 - 143.0770 0.0000 0.0000 117.6110 156.8345 146.3664 0.0000 155.0168 - 129.7761 115.2520 123.2605 120.0789 - -7.1467 -174.9167 -148.5539 -95.3987 172.6807 23.8648 -48.4122 -82.2435 - -125.9531 0.0000 0.0000 -123.6256 -79.9158 -131.4074 0.0000 -5.4068 - -135.6048 -124.9339 -139.1238 -151.1675 - Initial conformation 39 - 88.6446 89.6614 95.1668 129.2053 102.9070 121.6286 124.5118 91.4247 - 85.1272 150.7272 125.4957 101.9527 126.8115 93.7014 132.4331 155.8467 - 126.7863 135.2366 118.0676 95.1879 - -89.9820 -79.6722 157.3806 22.5438 -113.7266 62.9300 -132.3332 41.8870 - 31.8255 -146.2827 131.8900 -143.2036 5.5167 -142.8171 107.2410 48.9160 - -137.6805 77.8411 -94.1606 0.0000 - 149.9092 155.9360 135.0410 172.4066 148.0083 139.8843 134.1569 149.9045 - 146.2309 0.0000 0.0000 97.5726 98.6376 135.4154 0.0000 136.2643 - 120.9590 126.4176 114.8383 153.6802 - -161.3014 -114.1095 3.0034 -115.9834 -157.1041 -120.7841 -97.3261 -144.0071 - -153.2872 0.0000 0.0000 -132.3659 -74.6329 -8.3607 0.0000 -88.1368 - -126.0805 -144.2622 -122.8183 -92.2369 - Initial conformation 40 - 89.4801 107.2501 100.6517 135.9823 154.1083 127.1225 151.9853 131.1573 - 92.6889 130.0122 113.8328 128.7598 120.7017 120.7975 123.1195 149.8056 - 88.5601 152.9967 119.7417 98.5630 - 153.9794 -148.7027 -21.1009 6.6584 138.5683 56.0334 2.7090 41.0955 - 131.1390 -116.9877 167.8427 83.3845 135.8079 61.2107 -134.5873 75.8011 - 89.2600 65.8171 -157.9782 0.0000 - 161.0892 152.3669 146.3295 168.2583 157.0181 92.4262 104.6337 140.4247 - 135.3743 0.0000 0.0000 120.7351 101.4810 134.2371 0.0000 137.4428 - 100.1130 133.6015 116.1182 138.2812 - 10.6986 -127.3433 -175.0695 -158.7081 33.7337 -93.8031 -34.4106 -111.5047 - -155.0354 0.0000 0.0000 -131.8557 -64.6584 -81.4303 0.0000 -144.5999 - -124.0033 175.5435 -120.3855 10.8283 - Initial conformation 41 - 97.1356 97.5110 92.8204 130.7899 144.5211 82.9278 131.7765 92.4485 - 121.8272 108.7973 148.7205 171.0000 117.4594 107.5924 113.2193 149.2271 - 117.7852 111.6288 52.6840 140.4640 - 102.3670 37.9546 -66.6036 3.5620 -61.4070 -92.0159 56.1864 115.5677 - 147.2922 -41.0619 -119.5123 172.3317 178.0876 78.0634 32.5133 -53.6643 - -24.0182 -99.4638 -132.7265 0.0000 - 159.8441 149.1741 117.0236 174.6759 152.8442 157.2031 135.2560 137.9828 - 152.2401 0.0000 0.0000 161.6794 130.9169 150.8486 0.0000 115.9097 - 129.9204 127.4754 105.2235 97.1846 - -36.0474 -132.3359 -42.0786 -127.9425 -109.3409 170.9386 -80.1384 -76.4192 - -36.8227 0.0000 0.0000 32.8993 -49.1416 -92.8145 0.0000 35.2337 - -141.7394 -134.6561 -73.1836 -64.3121 - Initial conformation 42 - 142.7144 162.9152 131.3855 130.5075 94.6088 106.1663 88.4931 109.7455 - 116.3196 97.1096 114.0377 95.9697 122.4431 91.6196 140.8905 144.2319 - 120.2040 101.0619 146.8482 93.2153 - 29.5685 -54.7093 -47.7163 51.7547 139.2579 -50.5527 158.0570 -51.3897 - -44.9371 137.0961 119.1586 -141.1493 50.6306 146.6988 -177.7419 149.5933 - -52.1960 132.1789 14.7812 0.0000 - 143.8507 119.8370 109.8326 173.3394 146.2520 144.0444 169.7629 151.4753 - 118.1414 0.0000 0.0000 88.8600 123.9069 152.7100 0.0000 149.1504 - 119.2917 107.5775 115.7580 117.2164 - -82.3776 -47.4074 -103.7971 171.8734 -29.1334 110.2851 -13.1385 -43.0149 - -89.3805 0.0000 0.0000 -91.8939 -72.9785 -55.2830 0.0000 -139.6482 - -119.6306 -139.2415 -142.1260 -69.3862 - Initial conformation 43 - 122.8463 90.6509 92.6569 167.0074 110.2426 108.0061 68.5602 131.7786 - 130.2811 142.9706 122.6586 119.2176 93.4942 127.7745 101.8051 66.3887 - 121.2355 111.1746 164.0771 93.3872 - -20.8135 -31.1511 -121.4381 -7.2340 53.4751 52.4430 12.1243 -23.4907 - -119.9782 -79.1483 139.7605 116.9137 26.8968 132.6877 55.5864 -106.8934 - -27.9989 -70.1180 -39.0513 0.0000 - 112.9910 152.3246 153.8070 145.2318 170.8469 136.4741 158.3444 119.2952 - 117.3227 0.0000 0.0000 116.8273 100.3544 125.0913 0.0000 166.9703 - 118.3503 129.0301 139.4365 157.1290 - -75.7325 -122.6332 -168.6824 -79.0844 -53.2949 -164.4304 -151.1705 -144.9354 - -92.2495 0.0000 0.0000 -123.6199 -70.9139 -3.2966 0.0000 138.1473 - -128.9147 -133.7880 134.4781 -20.3663 - Initial conformation 44 - 96.1413 87.4049 147.2155 96.5223 144.0014 113.0130 145.0545 90.5245 - 107.3182 151.5431 136.7353 116.3164 142.2233 127.5215 110.8857 122.1845 - 87.4389 97.8988 152.8908 101.8811 - 77.0910 -175.3216 -170.0998 80.9921 75.2255 -20.8827 -146.2248 158.9518 - 43.9976 -1.4032 142.1817 -56.8465 -110.9300 -43.0680 -135.1886 -33.3092 - -159.3231 -29.4779 145.1262 0.0000 - 114.0004 140.8939 93.2395 153.3612 160.4856 143.3089 139.8722 132.0982 - 154.6769 0.0000 0.0000 112.7860 103.1453 129.2029 0.0000 112.9951 - 101.2076 101.3939 128.3962 157.9083 - -88.6420 -113.2081 -86.9582 -79.4038 -127.4108 152.3039 -89.2469 -124.6197 - -22.6978 0.0000 0.0000 -114.3610 -68.7801 -62.6850 0.0000 -65.2990 - -129.0785 -119.1843 -178.2109 -116.3460 - Initial conformation 45 - 90.4823 136.6806 113.1459 146.7723 135.1148 135.2846 89.2696 55.9564 - 92.1003 138.2962 114.1466 130.9410 98.7121 114.0501 115.7237 82.4137 - 90.3429 121.9169 116.6711 118.6727 - -39.1184 -167.8295 155.8021 -160.4808 -141.3397 -55.1313 -60.6192 169.1027 - -2.4228 -138.2489 -127.7697 88.7071 126.6235 127.1954 104.8734 1.0713 - 76.5241 -13.8440 -156.9745 0.0000 - 152.4506 140.8463 151.0796 141.4358 168.1259 128.9568 147.9000 166.6722 - 134.0458 0.0000 0.0000 115.9426 134.1295 107.8424 0.0000 164.9695 - 107.6912 120.5673 118.4207 105.7164 - 1.1605 -69.1766 -9.8131 -79.5268 7.3760 -172.5343 -143.9945 -108.3370 - -112.9521 0.0000 0.0000 -127.5034 -79.3882 -55.4677 0.0000 -92.4795 - -119.0950 -129.9975 -124.2278 -72.1861 - Initial conformation 46 - 93.1517 91.5318 122.4327 131.2265 120.8285 139.9190 118.2861 154.0622 - 112.6183 143.3151 144.4951 100.1767 86.8445 89.6965 118.2212 100.3354 - 133.1967 152.3510 112.2276 124.8419 - -178.0594 -48.4399 -58.6049 -31.1879 -84.6835 -32.8024 -111.9881 52.3811 - -120.9062 30.3695 -39.0226 173.7813 110.8276 -20.3521 64.5158 110.0969 - 42.0904 -166.6743 169.7392 0.0000 - 123.6882 162.2999 129.2802 167.8170 159.0427 132.6533 148.3762 132.3367 - 140.8174 0.0000 0.0000 97.6554 156.5131 169.5906 0.0000 139.0972 - 123.9337 131.3780 105.4870 100.7769 - -87.7598 169.1263 -5.5329 162.4396 -84.0608 -157.4247 -109.5642 -43.4029 - -29.6719 0.0000 0.0000 -122.4353 -23.7459 -89.0027 0.0000 -140.1797 - -148.2633 -173.7114 -102.1634 -62.5317 - Initial conformation 47 - 137.4283 92.4585 142.4533 94.7410 103.6808 101.6351 127.2849 93.1176 - 85.9312 107.4072 140.2422 114.0622 94.4785 87.1330 131.0440 90.9056 - 142.7993 147.1847 120.0691 95.3813 - -155.9040 -103.1524 -51.4759 78.1063 167.0535 -100.2998 113.8310 -20.4096 - -101.7859 17.0919 -162.0659 -73.5931 117.4907 -90.0265 -145.9680 32.5239 - -6.1086 25.2366 155.0187 0.0000 - 99.4388 150.3475 148.7292 141.3331 135.1932 125.9247 132.8807 144.4825 - 137.0001 0.0000 0.0000 122.4877 168.3734 153.3504 0.0000 164.1375 - 136.8862 129.7617 112.3656 112.5772 - -82.1754 -28.4411 3.6628 -92.9244 -87.6918 -0.0109 -34.3094 -91.9903 - -135.7773 0.0000 0.0000 -121.2515 -38.4353 -107.2658 0.0000 89.9016 - -163.8106 -155.2816 -108.1865 -75.1945 - Initial conformation 48 - 107.2423 127.3207 125.0330 86.9837 148.1456 109.0041 98.4938 150.0796 - 106.8691 130.9361 111.4157 103.8099 124.3457 119.9318 116.4074 74.6556 - 104.7958 126.9534 96.7922 89.7247 - -126.9788 53.7532 108.0135 -19.4810 -31.4009 -104.1535 105.1061 -98.5182 - -86.3705 -136.1865 26.1879 -171.9529 45.0250 178.9806 -119.5765 -25.4882 - 101.8274 129.7520 100.6103 0.0000 - 147.7397 142.0525 107.9948 143.2735 170.1626 151.6219 141.2381 158.8382 - 156.9839 0.0000 0.0000 91.4719 99.8543 85.0392 0.0000 173.4311 - 95.4973 110.2379 104.8588 137.6910 - -112.8835 -51.9942 -94.6915 -86.9097 -80.2501 25.2435 -146.8460 24.6643 - -29.2682 0.0000 0.0000 -99.6703 -70.0073 -66.7168 0.0000 -69.6735 - -103.6866 -113.7614 -126.1923 -36.4914 - Initial conformation 49 - 92.0627 83.0804 153.3601 87.9137 113.6561 82.4655 106.6497 98.5438 - 139.7871 108.0807 131.6393 131.8970 107.7022 116.6423 145.5827 126.0202 - 135.5489 113.7788 151.9640 97.9403 - -100.4287 123.6900 -77.5775 -173.0969 -65.9613 -92.3301 -74.8805 32.9159 - -135.7907 33.4165 3.5550 62.6260 143.6162 -66.4642 -144.7518 94.8078 - -154.5043 33.9471 29.8400 0.0000 - 149.2912 153.0722 103.9927 148.9636 155.1282 151.5538 147.4378 179.0459 - 99.6372 0.0000 0.0000 121.7656 136.2922 104.4381 0.0000 146.9493 - 116.8460 121.0672 127.7036 155.2302 - -162.3203 -49.3382 -85.2757 -78.9719 -73.3096 100.1567 -54.3203 -135.3564 - -56.3785 0.0000 0.0000 -133.1266 -19.0336 -65.3434 0.0000 -160.3120 - -131.3709 -125.8945 -170.8770 -48.3507 - Initial conformation 50 - 112.9504 69.6218 116.8008 90.1932 118.9072 133.9909 75.4447 104.5945 - 100.4303 116.0857 115.8878 104.5782 110.6279 102.7638 102.8007 105.1651 - 148.5957 123.9674 108.7121 152.2896 - 131.4969 -52.6422 -179.5561 165.2093 7.3469 -91.7243 -107.6954 -150.8228 - 84.7865 145.3599 -71.0266 73.0905 179.8138 161.8996 -116.2477 121.1555 - 141.0797 31.1918 -23.8383 0.0000 - 163.0816 148.5213 150.1635 136.3046 154.5150 142.9718 147.2600 145.5596 - 136.8281 0.0000 0.0000 102.1376 148.6012 147.7252 0.0000 130.0801 - 127.4077 117.0344 119.8257 77.1575 - -4.0746 -113.8773 -178.2085 -68.8787 -22.4826 -156.3356 -77.0857 -111.9249 - -90.1194 0.0000 0.0000 -121.4006 -91.3220 -139.6015 0.0000 131.3711 - -159.1979 -125.6837 -119.6664 -58.0842 - Initial conformation 51 - 131.6041 159.9287 89.7942 129.7884 117.3398 126.5960 106.9078 75.9949 - 125.3172 115.3696 113.7637 111.5701 151.1357 154.2181 119.4752 143.4455 - 95.8188 122.2159 105.7829 118.5221 - 174.9304 -84.1329 -97.7268 102.2385 44.6646 -166.1061 164.7182 -29.6318 - -173.7337 -158.4477 -133.0625 -32.6707 146.9088 -156.7360 -165.9927 124.4458 - 111.7505 159.1117 12.3771 0.0000 - 137.8564 107.2903 136.4244 165.8838 122.8790 144.2088 143.8668 149.4087 - 112.5704 0.0000 0.0000 120.1729 82.8883 92.4506 0.0000 138.3278 - 104.8161 129.1576 105.5806 158.4643 - -41.0336 -37.2286 179.5411 163.1384 -149.0292 167.2430 -116.5550 -165.5464 - -100.1622 0.0000 0.0000 -124.8140 -55.8691 -60.6224 0.0000 -130.7419 - -119.7201 -136.6871 -135.0654 -66.5470 - Initial conformation 52 - 130.4140 123.9046 133.0807 102.7143 108.6518 135.5533 91.5206 129.2813 - 100.3924 144.5476 108.7725 114.4019 90.8390 92.7941 118.5970 143.6406 - 111.8302 57.4134 126.4399 111.1283 - 179.7446 -70.6347 -113.0210 163.5055 -140.0515 -177.1519 -49.8496 -125.2352 - 151.9779 167.2896 120.4341 167.4525 125.3441 -76.7209 -126.2446 -179.5486 - 90.8302 -178.8301 131.3616 0.0000 - 111.1810 143.7776 139.5686 145.9457 167.1563 108.3242 173.5486 153.0418 - 134.2049 0.0000 0.0000 106.8892 110.4046 163.9346 0.0000 154.1562 - 120.4621 104.4623 126.4391 136.6492 - -95.4013 -37.5569 -7.6795 -102.0187 131.9026 -86.3727 -166.5425 -46.4127 - -95.7945 0.0000 0.0000 -105.5331 -71.9247 -96.5348 0.0000 -149.4447 - -121.2691 -74.0443 -144.7071 -103.5839 - Initial conformation 53 - 106.6036 94.4149 128.3476 142.8506 124.8495 141.0367 104.1655 107.7080 - 119.9928 123.7460 119.2490 156.5060 117.8203 99.3263 146.2347 114.4708 - 119.1783 64.4414 120.5039 92.0793 - -35.9908 49.3809 -57.5999 146.6210 -25.5107 -128.0874 -26.7604 92.7040 - -22.5807 -92.3366 -148.9338 -154.8861 -107.6957 -130.3500 -7.2662 -97.4046 - -74.5662 105.6010 -133.0782 0.0000 - 142.0553 148.8171 147.8058 162.1663 147.5447 163.2578 144.9775 172.1531 - 130.2766 0.0000 0.0000 143.9086 146.6934 138.7695 0.0000 153.9073 - 128.7433 92.8837 126.0604 147.9985 - -100.9292 -129.3423 152.2940 -134.9386 -133.3037 51.6531 -31.4431 -94.0745 - -90.0723 0.0000 0.0000 162.6186 -140.5702 -80.4054 0.0000 -104.5579 - -139.7110 -119.8757 -131.8103 27.1337 - Initial conformation 54 - 101.1860 94.8640 106.6261 145.2655 94.6197 79.4007 84.2589 141.7288 - 124.0624 113.1803 129.1786 114.2364 96.7834 90.0229 136.7183 113.5134 - 124.8911 133.3705 96.5629 138.8613 - -3.8344 -94.3787 -155.8641 -32.0773 -131.9061 106.6358 57.3966 -154.7922 - 26.1213 6.9004 -144.3117 43.9693 -39.1460 -75.3806 116.8183 10.1471 - -156.2749 -17.1502 -44.6682 0.0000 - 141.8613 166.7016 116.1853 137.6986 148.4791 146.0733 154.8647 162.0111 - 126.3500 0.0000 0.0000 131.4421 149.6794 154.6096 0.0000 142.2775 - 127.1412 129.3067 101.5486 86.2129 - -168.7318 -4.0315 -97.5526 -85.7831 -152.7346 164.4398 -139.1739 -96.8745 - -76.9392 0.0000 0.0000 -134.8661 -77.1165 -146.8126 0.0000 -140.3722 - -140.6810 -148.4039 -125.4285 -64.0250 - Initial conformation 55 - 111.7182 121.0738 122.7536 85.3903 103.0214 101.5284 100.4701 78.8637 - 100.6400 140.5491 136.0977 115.0772 117.5652 125.1149 131.2517 107.3336 - 137.0311 105.4804 105.2678 100.0118 - -106.4832 66.0996 -86.2451 -142.5890 -172.6641 -132.2671 17.7511 -141.7245 - -172.0500 153.2413 -170.8940 85.4152 -114.2321 173.7790 -176.3205 -89.6979 - 177.8130 123.1988 163.6536 0.0000 - 144.3994 151.6674 144.1657 141.6895 113.2746 155.2875 157.5003 130.8533 - 128.1130 0.0000 0.0000 126.0529 102.3333 102.7565 0.0000 162.2290 - 120.4437 103.9623 119.7608 107.3765 - -37.2666 -111.2811 -160.0694 -95.4099 -23.6017 164.8200 -22.2053 -65.0542 - -94.8841 0.0000 0.0000 -128.3720 -72.8351 -67.6603 0.0000 -79.5094 - -139.4803 -131.5124 -119.8755 -77.8380 - Initial conformation 56 - 137.5352 130.6652 117.1210 65.5797 111.3961 138.7266 110.3669 121.2534 - 91.7097 134.9817 110.8387 97.0202 130.5007 171.0000 136.3108 105.6622 - 133.8045 134.7457 126.8373 95.8239 - 148.2302 18.2103 130.5132 -85.1752 -108.0045 60.3761 -84.3832 -65.5461 - -137.2071 26.9540 100.9121 -113.5417 -173.5255 129.3252 21.1765 -136.4573 - 125.1666 172.6346 -52.6268 0.0000 - 116.3187 118.2883 157.8283 148.2821 153.8655 103.8487 165.4502 179.5978 - 154.0718 0.0000 0.0000 101.3539 142.9834 46.7796 0.0000 136.5790 - 119.2092 123.2340 115.8198 150.5949 - -91.5969 -79.3375 177.1900 -81.4455 -71.5915 -84.8344 -117.6646 124.1333 - -15.4968 0.0000 0.0000 -125.6133 -100.2399 -34.5213 0.0000 -117.7509 - -131.3604 -147.9917 -122.5910 -24.8767 - Initial conformation 57 - 120.6556 97.4168 146.0131 117.0189 99.2192 140.2934 101.0354 114.2769 - 94.2610 120.2027 121.3453 93.9459 64.1764 124.6085 104.8591 110.5079 - 104.1717 154.4702 91.4462 114.4396 - 84.8531 69.4372 104.5162 82.5678 -88.1227 -119.6312 -87.1473 17.2130 - 118.1674 44.8630 8.1190 74.3489 -26.3206 -157.8459 115.4920 -101.1137 - 81.4801 117.7881 -95.5251 0.0000 - 128.0129 145.3822 113.4062 155.2214 146.4106 101.3078 140.1484 144.6445 - 162.3038 0.0000 0.0000 107.7824 152.5324 100.6508 0.0000 135.8342 - 119.4320 124.8762 92.1041 128.5599 - -134.8245 -150.1460 -89.9492 -69.2737 -164.0217 -90.2077 -90.6462 -3.2194 - -20.1226 0.0000 0.0000 -120.9846 -18.8014 -69.0819 0.0000 -129.8791 - -121.4718 -172.1585 -114.0109 -103.7364 - Initial conformation 58 - 96.0590 98.4340 87.1245 82.0896 120.1001 137.6209 130.2795 117.0876 - 119.2547 98.4745 133.6872 124.2119 116.2861 86.9656 85.5600 115.3530 - 130.7079 106.8160 127.6484 82.1505 - 125.9685 101.5753 162.4978 106.8548 156.2326 -110.0958 62.2604 -120.4408 - 102.6281 1.4855 45.9723 -142.3716 -73.6078 -100.4469 -30.6448 -129.4544 - 27.1741 38.1152 -50.4934 0.0000 - 147.4265 151.8267 137.7416 143.3332 159.5835 146.1850 136.2165 152.7667 - 122.6514 0.0000 0.0000 116.6760 131.5323 100.0266 0.0000 125.9543 - 124.3695 117.7716 128.9189 145.6838 - -129.4301 -17.8334 3.8849 -87.5328 165.5802 172.2518 -97.5136 -155.9931 - -88.2726 0.0000 0.0000 -130.0085 -148.3036 -78.5308 0.0000 -73.9042 - -135.8841 -119.5397 -141.4202 -30.0680 - Initial conformation 59 - 142.3241 127.7673 112.2511 95.9157 132.9650 128.3432 92.4970 82.2458 - 94.1446 137.0287 122.3555 133.4480 110.5262 98.1551 150.0712 127.1622 - 143.7255 114.2542 118.0455 124.3939 - 91.9319 97.5764 -143.0146 86.3628 -132.7169 -24.7099 106.9524 -50.5330 - 95.1033 130.2821 -18.2087 -179.9382 -116.1721 -64.0458 -13.2698 -82.3760 - -149.4651 159.8762 -38.4545 0.0000 - 108.4610 152.4704 144.6476 147.8579 156.3829 163.2755 162.4873 142.4154 - 148.5164 0.0000 0.0000 138.8416 93.0995 100.4323 0.0000 141.7883 - 126.1502 127.7784 124.3994 140.4228 - -76.5487 -127.8817 -1.0654 -78.8915 -114.5231 -158.7356 -1.9255 16.4725 - -118.8809 0.0000 0.0000 -161.5351 -65.6112 -75.6214 0.0000 157.5401 - -146.7978 -131.2477 -132.5805 -92.6116 - Initial conformation 60 - 94.7341 106.8018 135.0593 115.0237 113.1218 141.1184 134.6851 156.9830 - 93.2582 133.9292 104.6870 116.1932 92.6436 97.2976 135.3390 122.0798 - 164.9425 93.5691 156.4645 131.3804 - -154.6115 85.7308 111.0605 42.0598 -26.3288 31.0612 35.6265 60.0603 - -178.6666 113.1136 44.5458 -57.7830 -43.8416 44.9409 -49.0235 176.1593 - -102.4000 41.0223 100.6325 0.0000 - 150.6309 146.1037 131.5110 165.3793 142.2024 112.2349 139.2028 146.7886 - 165.9051 0.0000 0.0000 113.2949 115.4494 104.4939 0.0000 143.9375 - 148.0840 96.5180 131.8804 112.7521 - -139.2178 -107.4440 -147.8879 -128.1207 -62.8352 -94.7274 -143.7912 -98.2455 - 27.5986 0.0000 0.0000 -115.8574 -61.2769 -66.0014 0.0000 -50.1518 - 122.0586 -100.0301 172.0637 -79.9243 - Initial conformation 61 - 95.9686 112.4134 104.6822 119.6689 94.6776 131.3965 89.0349 115.9994 - 91.3409 102.0898 150.7295 127.7888 99.0599 86.3208 124.5659 116.6565 - 126.6041 51.1344 99.9679 145.3329 - 170.3575 46.7189 -168.0387 177.3387 105.5441 -148.8100 36.6238 -134.7233 - -104.0868 90.7061 -149.1429 79.9545 -107.8200 -76.9375 -70.1111 21.0775 - 54.8353 52.1464 48.5957 0.0000 - 155.7564 156.1624 141.7841 158.9758 135.6307 150.1543 158.2348 167.8324 - 134.7328 0.0000 0.0000 127.0805 102.2523 107.6970 0.0000 149.0033 - 118.7409 113.2968 102.5033 85.2450 - -25.5451 -45.4832 173.8229 -156.8166 -108.8508 -175.5749 -148.9029 -94.6544 - -91.6135 0.0000 0.0000 -136.2989 -68.6983 -71.0829 0.0000 69.3082 - -135.5927 -87.3516 -104.8648 -64.3989 - Initial conformation 62 - 99.2749 131.9297 111.6776 113.8816 106.6298 139.3190 96.0515 92.2903 - 94.1726 140.9536 128.1325 121.9781 106.6241 127.3369 146.0465 135.4156 - 134.2495 123.9042 87.8282 98.1079 - 65.1158 -62.1638 -85.0853 99.5455 64.4009 134.8596 179.6436 -85.3237 - 12.9078 179.0010 138.8277 -25.2025 89.5907 -13.5839 160.4485 39.5507 - -54.2585 -118.4305 109.0574 0.0000 - 135.3127 142.6048 144.9362 137.8704 151.7858 110.7415 166.2883 140.3012 - 145.4446 0.0000 0.0000 112.9439 110.3943 85.4543 0.0000 144.8403 - 112.8864 129.9785 92.3359 145.7557 - -138.7439 -72.1636 -160.1514 -57.1161 -172.1562 -83.7967 -159.2725 -173.3261 - -141.4341 0.0000 0.0000 -116.9189 -52.4613 -72.8575 0.0000 -158.1254 - -128.4105 -146.2634 -98.0294 17.2740 - Initial conformation 63 - 128.5785 133.3552 118.0446 101.2692 152.6789 141.8838 118.7121 94.2191 - 93.2704 132.4688 107.8573 103.7247 111.4110 98.0689 113.4080 123.7895 - 100.1008 92.4639 84.6156 94.2806 - -20.7091 152.1094 102.2485 -23.5214 -141.0462 -29.0264 -60.1237 -66.9183 - -2.7480 151.6727 -9.6052 -5.6358 60.1756 -16.0034 48.2988 123.6657 - 127.5280 6.4974 -156.9768 0.0000 - 131.8763 137.6001 144.2612 147.0116 134.5491 95.5813 149.9245 111.7125 - 134.0984 0.0000 0.0000 100.5041 154.4737 109.2085 0.0000 113.4657 - 128.7455 101.3920 91.5834 142.5625 - -107.0218 -52.5956 -1.6717 -79.3118 152.6831 -67.9006 -127.2488 -24.7177 - -99.8911 0.0000 0.0000 -126.2408 -110.6100 -65.7792 0.0000 -42.0572 - -131.1512 -114.5879 -98.9826 -49.5197 - Initial conformation 64 - 136.8720 120.8938 146.7057 92.8966 152.7220 87.0376 139.2254 149.5191 - 70.2576 97.1584 95.3432 93.3480 89.1369 147.8342 100.2260 137.3626 - 151.5990 104.2848 101.8325 102.7603 - -154.0594 -116.3514 -162.5634 -122.3495 2.8841 109.2789 -160.3671 60.2253 - 161.4516 141.0796 -141.3879 15.0209 113.0180 -1.8123 102.9387 -86.2364 - -166.7298 79.0808 41.7853 0.0000 - 111.1437 153.1755 93.5291 133.2744 162.8616 142.7259 143.8861 140.8431 - 148.3994 0.0000 0.0000 103.5044 154.0270 72.2216 0.0000 151.3794 - 125.4175 120.5233 106.6181 104.7076 - -84.1944 -77.5227 -92.8951 -71.6104 14.8660 27.5587 -113.2784 -31.2426 - -106.9492 0.0000 0.0000 -93.3617 -131.7262 -60.3803 0.0000 -65.6399 - -160.2150 -118.0532 -128.1076 -53.5808 - Initial conformation 65 - 119.9662 127.7470 110.0143 102.9900 110.7174 120.9392 125.9014 92.4398 - 122.1232 120.9302 117.1204 113.6370 108.3845 97.3466 96.9036 95.5494 - 53.0412 123.6168 110.8869 134.6422 - 148.2467 -48.2649 -129.2129 -73.0120 -30.7095 170.2119 56.9449 -134.6670 - 29.8471 160.9544 76.4154 -60.8481 19.8359 -94.3008 168.0333 98.7236 - -74.9276 -105.9747 -178.3615 0.0000 - 130.4268 153.9543 143.9793 165.7166 153.6113 151.8747 143.4602 141.9692 - 110.1833 0.0000 0.0000 109.7417 110.1568 154.8729 0.0000 166.1279 - 111.5324 127.9142 130.0621 153.1202 - -113.2795 -26.4233 -7.5071 -116.8746 -40.7080 165.2555 -104.8805 -54.1273 - -71.3136 0.0000 0.0000 -108.0188 -68.2510 -103.2729 0.0000 174.0532 - -81.2002 -134.8529 -126.3858 -99.1869 - Initial conformation 66 - 138.5879 101.7728 147.9384 132.0923 134.1804 108.3444 96.6927 147.4722 - 120.9725 127.4670 134.5814 113.2109 84.3641 119.8484 123.3814 142.8216 - 76.3012 108.3272 110.1489 89.7016 - -64.0317 91.5513 -155.2781 87.8262 123.0245 -1.1778 27.6084 28.5935 - -26.8954 -125.1272 -176.5508 164.6552 149.8326 114.7574 163.0620 25.6965 - -2.6872 168.5374 143.8704 0.0000 - 145.9396 150.8099 116.4302 175.5135 153.7810 141.3700 172.0006 156.2548 - 157.9841 0.0000 0.0000 113.5219 155.6934 136.4820 0.0000 136.3858 - 96.8313 113.2895 119.2903 107.2866 - -127.0775 -36.1903 -109.0458 -133.2669 -53.7154 -25.9360 -115.9071 -163.1061 - 2.5845 0.0000 0.0000 -112.2735 -90.9279 -20.5442 0.0000 167.9316 - -104.6991 -112.4673 -125.4406 -71.6787 - Initial conformation 67 - 87.9953 107.3314 99.3802 163.0220 93.3123 159.0228 148.7510 110.6148 - 106.0233 99.3126 91.4623 140.6231 106.6726 134.6242 122.7157 116.3387 - 123.0457 119.3552 163.5039 93.4144 - -34.4997 154.6982 -161.8215 -9.2068 84.9845 140.8294 113.7124 -115.7008 - 12.0111 -93.0104 78.8648 -145.2921 -11.9403 102.4935 148.7947 -70.7990 - 84.7485 37.9239 167.5898 0.0000 - 151.2783 132.6445 137.6303 128.8920 136.4422 96.2362 119.8821 170.5843 - 160.0587 0.0000 0.0000 131.8740 104.6604 133.8145 0.0000 113.5317 - 116.5554 123.4175 139.6322 158.4026 - 6.5816 -132.9014 -8.3264 -68.6852 -115.2112 -72.3226 -78.5500 -75.9879 - 8.3748 0.0000 0.0000 -159.5821 -79.0236 -6.1021 0.0000 -19.4537 - -127.9133 -135.1328 143.2850 -57.2635 - Initial conformation 68 - 136.5670 94.5097 134.3272 132.0592 112.3145 86.9765 106.9802 104.6873 - 92.0209 120.0858 109.3826 120.4980 121.4532 95.4399 135.1645 92.5689 - 115.5168 117.5191 77.3800 115.2643 - 43.1177 54.3397 118.4533 -13.4047 -117.1983 173.6813 108.8284 -73.1785 - -108.3458 98.9167 102.8015 88.2684 176.0248 54.8872 -30.4423 78.4020 - -146.7126 -109.8143 60.1357 0.0000 - 107.3061 171.2168 107.0434 163.5639 172.5808 161.1491 151.0300 129.3462 - 165.8552 0.0000 0.0000 113.1879 148.3704 155.3121 0.0000 106.1086 - 121.4081 113.4395 97.8184 125.3975 - -85.5305 -151.7837 -94.7300 -91.0437 -83.4539 73.4755 -115.3543 -37.0428 - -26.7682 0.0000 0.0000 -121.2517 -115.3029 -48.4619 0.0000 -73.7727 - -129.2095 -115.0420 -108.9054 -49.9045 - Initial conformation 69 - 96.3379 102.6102 133.9740 93.7759 139.9640 126.4388 147.2301 144.9079 - 130.4327 114.5611 93.9589 105.2434 92.7184 110.0162 123.5736 155.5166 - 132.3507 138.3607 91.5241 97.8057 - 175.8621 -127.8109 -114.4131 130.6761 20.7281 21.5548 -154.1360 -74.8302 - 99.1932 173.6233 -85.5329 -105.2414 -117.9078 32.0153 149.3619 114.8102 - 137.4831 39.2460 -102.1065 0.0000 - 142.0661 152.7970 87.7972 135.0578 152.8929 103.3811 139.4485 133.0990 - 155.2603 0.0000 0.0000 111.5160 150.8330 107.9222 0.0000 134.9694 - 128.4171 126.9669 91.0472 132.5576 - -33.2468 -33.6545 -90.4594 -86.9371 24.3570 -77.2611 -99.5780 -136.5321 - -3.3333 0.0000 0.0000 -113.8487 -91.7279 -69.2704 0.0000 79.2162 - -140.3533 -147.6813 -99.8540 -154.3114 - Initial conformation 70 - 79.6768 80.7124 112.0998 90.6090 106.7308 135.4564 171.0000 103.3825 - 156.6263 142.2462 106.4833 92.0453 144.0525 89.2061 140.5922 107.2662 - 112.8826 139.6230 111.9132 124.8895 - 92.5146 -165.1397 0.5878 63.1639 -21.3194 -100.2145 45.3458 -170.0629 - 62.2347 111.6925 -72.1592 -67.9715 -176.2982 166.7647 120.1186 -121.3450 - -158.0915 -176.0422 -44.6976 0.0000 - 148.7524 160.4765 141.5685 149.5350 131.7389 135.4092 42.7026 126.8155 - 111.6448 0.0000 0.0000 110.4392 82.9275 164.0682 0.0000 167.5157 - 113.8622 126.4139 120.4730 129.0089 - -136.0706 156.8229 -166.7156 -81.4066 -148.9835 -166.3142 81.1903 -131.2658 - -90.0361 0.0000 0.0000 -111.0464 -52.8053 -64.1480 0.0000 4.5003 - -107.8625 -153.6837 -122.2821 -134.1066 - Initial conformation 71 - 102.6539 124.1448 121.7346 118.3781 91.8516 114.9814 108.1537 114.6974 - 103.3413 126.1448 123.4741 110.2661 81.3463 109.7229 120.7081 147.0156 - 129.9627 103.2052 134.0422 118.1510 - 104.1204 139.8678 -125.8620 -177.0160 -110.6017 61.7470 -21.8382 -47.2728 - 174.2129 87.1632 14.8543 -70.6663 -4.1792 -20.4830 -22.4802 17.9179 - 61.4987 -127.4790 -71.4255 0.0000 - 144.3460 152.2469 125.1939 163.5166 146.9635 143.0411 151.2266 157.6691 - 98.0407 0.0000 0.0000 110.0274 110.6188 106.0227 0.0000 162.7331 - 131.3619 117.8140 125.1895 139.3994 - -130.5912 -116.1297 -18.2885 -161.3658 -176.7746 151.1733 -55.6445 46.8466 - -78.9855 0.0000 0.0000 -122.7436 -79.9976 -69.7302 0.0000 169.9431 - -140.7833 -116.5482 -143.0540 -39.7404 - Initial conformation 72 - 85.1181 108.7557 127.5427 138.2324 122.3456 111.8102 140.8786 159.6853 - 84.7238 122.1617 136.9575 86.3433 121.3314 130.7335 139.7770 69.4787 - 124.0823 116.5587 171.0000 161.8783 - 87.0603 -123.5148 1.7359 20.0298 -1.3700 165.5505 68.8381 106.1575 - 90.7615 -104.6878 -127.2541 102.8872 -58.4579 -116.4871 -22.8920 -158.7324 - 178.9502 -174.5085 -27.9595 0.0000 - 153.3115 151.9804 159.0783 170.3889 174.7553 152.6370 132.9476 115.3380 - 135.7697 0.0000 0.0000 95.7533 140.7263 94.4680 0.0000 126.1837 - 111.4591 117.5533 163.3332 81.3187 - -57.7098 -111.3644 177.2996 137.8052 146.0685 31.0401 -71.5433 -130.6791 - -133.7784 0.0000 0.0000 -114.9082 -73.6364 -75.4815 0.0000 -60.4357 - -111.8197 -111.4028 28.4351 -54.5633 - Initial conformation 73 - 140.4146 85.8220 148.7391 103.7296 143.3072 93.2877 121.1199 72.0852 - 99.1409 130.0765 91.5205 149.2975 97.8124 145.1892 98.6234 93.3049 - 123.5103 108.8945 85.7228 91.7897 - -118.3418 -72.5074 -86.9613 8.5161 -118.2299 77.2159 31.7651 111.7322 - 130.0384 25.8448 -87.7145 -29.2454 166.1211 -164.5554 155.2669 88.7648 - 152.4915 -112.1650 128.6402 0.0000 - 138.6454 149.4764 135.2567 140.8557 155.9952 147.7611 137.0898 164.7289 - 121.6836 0.0000 0.0000 119.1028 104.5953 82.4934 0.0000 120.8549 - 117.4782 108.9409 100.7016 150.5782 - -37.7429 -22.1399 -142.1912 -84.6450 -80.3345 155.2536 -80.1612 -122.8988 - -127.2958 0.0000 0.0000 -154.5445 -66.9704 -54.3962 0.0000 -135.5850 - -131.3262 -107.5458 -92.4749 -96.8947 - Initial conformation 74 - 122.7103 153.4860 99.1942 131.6097 93.7931 119.1470 87.6453 119.5871 - 96.7988 103.1252 112.6805 113.0709 87.3196 132.4392 148.7903 118.0887 - 112.0946 159.9814 87.8553 113.3698 - 3.8990 -37.7758 -121.1007 115.6031 -83.9690 157.2939 -92.3272 -156.5892 - 118.9739 -36.3072 65.0260 7.9434 2.7592 -74.9869 89.1837 131.9730 - -150.3049 -26.2986 -91.1979 0.0000 - 147.9638 120.3087 136.0409 155.4370 116.8032 137.2295 156.6273 157.1527 - 123.0946 0.0000 0.0000 123.3009 147.2048 110.5906 0.0000 114.6788 - 116.2412 145.2990 94.5060 152.4823 - -97.0712 -58.9590 -24.0782 -90.1313 -68.4168 -21.7578 -6.5833 -16.7333 - -126.5046 0.0000 0.0000 -122.5865 -61.2758 -28.0634 0.0000 -148.7414 - -109.8738 144.8350 -132.3118 -115.8417 - Initial conformation 75 - 117.7352 112.5898 94.4987 115.5584 115.2594 120.7752 125.3302 122.8694 - 105.7320 99.8587 86.2408 143.2726 121.5754 82.9363 104.5896 147.9902 - 89.1294 108.0327 140.8041 90.3631 - 152.2894 176.4440 104.6259 50.1253 126.3766 66.3017 102.8325 -94.7734 - -151.1451 51.2740 106.6472 -79.3735 48.5452 -118.2107 -71.4599 -24.7692 - 2.4151 -46.6725 -11.0328 0.0000 - 155.8886 165.7197 148.3029 173.6373 153.1826 149.7015 158.1768 142.0172 - 148.2693 0.0000 0.0000 130.2184 139.4775 152.8099 0.0000 115.8064 - 94.4499 121.2793 124.9385 114.1720 - -38.6870 -136.3287 -2.7107 -157.5021 -48.8051 -166.8395 -135.4384 -16.6836 - 18.0752 0.0000 0.0000 -157.5236 -104.2557 -17.6354 0.0000 -85.5272 - -108.7673 -118.0147 -151.3910 -68.6623 - Initial conformation 76 - 91.6432 91.2220 97.1638 102.1597 97.8943 136.4226 91.8032 102.4661 - 80.3239 142.9063 88.2642 93.3609 96.9474 122.4080 110.1282 119.9868 - 92.1148 105.7863 122.6814 131.4168 - 146.5746 -112.8621 -166.7112 -130.4424 152.9004 -65.9545 -103.9445 -119.6469 - 39.4205 80.4816 -152.1011 -22.1476 79.6782 110.5734 90.8150 -125.5580 - 144.1366 149.8965 110.0299 0.0000 - 145.6745 150.7917 148.4674 133.4767 145.1524 96.8993 145.4525 163.3508 - 136.5445 0.0000 0.0000 94.3318 152.1630 114.0153 0.0000 171.1674 - 93.4471 116.2372 118.6272 93.7835 - -153.9360 -86.3596 -12.7367 -105.3867 -116.6540 -83.4951 -129.3139 -41.3680 - -130.8235 0.0000 0.0000 -119.1621 -90.5700 -39.3822 0.0000 -54.1199 - -88.8802 -118.4752 -128.5711 -65.2045 - Initial conformation 77 - 152.5172 104.0678 117.1435 91.5482 106.4775 142.7339 95.4757 133.9611 - 94.3359 143.0777 117.8505 125.6662 93.6021 114.1431 129.5131 96.2680 - 159.8048 118.4432 149.2987 158.1661 - -99.6728 -126.4171 11.7874 -175.2275 -15.1322 173.2201 78.5445 -55.2991 - -76.0274 -70.0777 -173.4703 -53.6963 -107.4697 -68.5206 174.3993 124.7268 - -77.6359 -53.1068 20.7540 0.0000 - 104.5883 140.5386 143.8095 151.1797 146.7006 109.7301 158.3758 146.1943 - 141.7617 0.0000 0.0000 127.3805 138.4187 95.8493 0.0000 150.7325 - 135.6435 121.7547 129.6456 77.2492 - -81.9050 152.3393 -170.1132 -107.5303 -128.6167 -94.9826 -29.0167 -119.1657 - -167.8820 0.0000 0.0000 -136.9662 -11.5724 -64.4212 0.0000 -90.3489 - 156.0018 -137.7846 -164.5366 -66.9544 - Initial conformation 78 - 94.3011 101.4850 120.5518 110.2183 142.5805 141.3355 129.8940 90.7367 - 118.1282 140.5158 100.2055 148.3379 123.8696 102.0558 162.9266 113.0554 - 112.0167 123.3547 94.8216 108.3869 - -137.5504 -37.4409 -33.6523 13.9529 16.4224 78.0339 72.2531 -53.0628 - 74.4012 114.6777 97.2435 8.1280 -96.5262 -118.5567 -173.7095 -121.0231 - 55.0974 -166.6599 -61.6551 0.0000 - 114.8873 156.1308 148.4028 147.7836 160.1531 138.3074 128.3217 154.8240 - 113.7322 0.0000 0.0000 122.4720 146.9808 131.4300 0.0000 158.6605 - 127.3183 121.5973 84.8127 109.7324 - -84.1086 -18.0460 165.6593 -85.7183 -105.2040 -25.6547 -77.9293 -57.1839 - -76.0400 0.0000 0.0000 -152.1500 -89.3206 -110.6046 0.0000 162.6088 - -126.0802 -135.0084 -114.3225 -64.6429 - Initial conformation 79 - 138.5241 136.5923 104.5706 136.2867 133.9529 104.8983 89.9526 95.0804 - 105.2667 119.2187 138.9002 129.5938 95.5524 100.2205 134.0433 91.7858 - 111.4678 113.5157 156.8497 150.1924 - 76.9042 -100.0561 141.1874 -163.7081 -157.8541 28.6877 -7.7833 136.9581 - 95.0884 118.7510 -39.2557 -141.1896 109.9787 -93.3318 -165.8500 140.4404 - 125.3573 -178.7452 -173.9403 0.0000 - 109.0279 159.9462 131.6591 175.5920 140.9115 152.8416 156.7449 153.5966 - 136.6793 0.0000 0.0000 120.2546 92.7134 154.9401 0.0000 166.9852 - 125.6261 112.6131 123.4594 87.1245 - -81.3050 -134.3608 -2.0997 -127.1865 -133.2296 134.6871 -135.7909 -158.0356 - -98.6931 0.0000 0.0000 -126.0770 -54.4079 -80.5409 0.0000 -92.2688 - -124.4567 -108.2429 -179.8088 -55.5739 - Initial conformation 80 - 100.5119 92.8788 115.6496 118.1956 139.3077 124.9803 98.2662 146.1621 - 91.2477 110.2914 145.2435 109.0143 138.1290 141.6549 103.2438 79.1237 - 88.2091 102.6237 145.8662 148.4137 - -58.7867 32.0825 -143.4152 -19.9749 -42.5177 -112.4377 -164.0111 134.2120 - 7.3224 -161.1507 1.9337 -23.2642 -29.7732 -95.8987 82.8759 172.4831 - -56.6362 -179.6532 -118.7927 0.0000 - 125.3698 161.8131 145.5901 172.9403 147.4528 140.5491 152.0430 157.1341 - 148.0788 0.0000 0.0000 125.7032 145.2227 131.6949 0.0000 143.2037 - 101.1627 109.2743 119.9647 86.5909 - -87.3654 169.0855 -168.5251 -176.8494 159.5778 -137.6635 -38.1692 -96.9950 - -159.4576 0.0000 0.0000 -123.5984 -82.9106 -103.0125 0.0000 -75.1759 - -116.6016 -108.0296 -156.9123 -61.2655 - Initial conformation 81 - 101.6329 102.7070 119.6352 96.8695 127.1129 145.0970 122.0246 113.3850 - 92.8901 130.0457 120.1532 87.2143 94.1976 145.3869 143.4456 91.6349 - 119.2299 81.8959 165.0143 86.5585 - 84.3268 -62.1885 -91.8444 -27.6508 -111.4814 -3.4049 53.1368 -127.4899 - 82.2552 125.3639 -119.4578 106.3208 173.4107 60.4273 -32.1413 -162.7723 - -53.3946 -21.8454 29.5000 0.0000 - 137.8039 145.2002 144.0712 164.1747 141.2586 106.1358 137.8133 149.2542 - 155.6126 0.0000 0.0000 106.0828 155.2378 132.0683 0.0000 115.7533 - 121.7349 104.3794 143.0078 150.5075 - -16.4466 -79.3055 170.8403 -107.5096 15.5190 -66.2199 -48.0988 -78.8611 - -30.1912 0.0000 0.0000 -96.5012 -95.6061 -122.3345 0.0000 -86.7273 - -131.4457 -111.6185 124.6150 -131.9395 - Initial conformation 82 - 135.5995 92.4630 132.9287 150.1513 86.4042 118.8473 106.5040 83.2435 - 113.9158 134.2195 92.5890 116.8319 94.2200 100.2907 126.8499 76.2033 - 106.4861 107.9618 119.8370 87.0445 - -42.4367 -82.3787 -159.3761 165.8916 24.5274 -147.5127 -91.2667 81.6325 - 13.3151 152.0061 30.0884 -100.5078 -47.1785 -167.2996 -169.1305 8.2517 - -63.1505 -144.8386 -82.2138 0.0000 - 157.0286 140.7451 146.8461 138.7013 136.4930 146.2138 149.6227 168.0343 - 125.5064 0.0000 0.0000 115.6103 156.5825 90.8316 0.0000 143.6215 - 121.3823 120.9974 120.0554 99.7839 - 5.4002 -43.0194 176.9667 -96.1974 -88.4074 -146.4272 -129.6180 -95.0891 - -72.0235 0.0000 0.0000 -118.8170 7.2812 -58.9670 0.0000 -78.7035 - -113.3295 -121.6827 -122.9061 -63.9233 - Initial conformation 83 - 124.2470 98.0277 148.5063 157.4837 133.9812 158.5125 134.1370 102.6575 - 102.6360 113.6158 137.1347 114.7554 102.2040 131.8422 130.0031 92.6192 - 135.2150 123.1337 157.4858 162.4789 - -18.8500 -93.2626 -144.7744 -150.2900 -125.0501 -100.3278 128.5165 -30.7408 - 112.4158 -21.7108 83.4941 -178.7986 37.9209 -138.1875 -74.9254 93.7449 - -8.4254 84.0811 157.9575 0.0000 - 131.7652 154.4116 110.4448 135.3733 148.6052 95.6413 145.1631 164.1179 - 122.6949 0.0000 0.0000 132.9181 155.2021 128.7876 0.0000 163.4610 - 119.5498 116.1484 139.3730 68.3829 - -139.6496 -105.5298 -77.4839 -91.8920 130.4611 -92.1280 -117.9019 -144.7600 - -106.3615 0.0000 0.0000 -142.3890 -26.9675 -65.1461 0.0000 -134.6801 - -140.9820 -120.3304 166.3265 -52.7543 - Initial conformation 84 - 108.5971 83.2175 115.3389 153.0546 92.9989 145.2179 150.5028 132.3090 - 117.4262 144.3441 124.8755 142.5921 102.0013 92.0534 140.8823 139.0667 - 101.6803 94.7334 90.6158 126.3621 - -49.2601 -86.1369 -73.0149 -21.3080 99.2360 26.0270 -5.9034 169.9127 - -2.6399 -73.0695 -176.8846 -51.5524 -135.5141 66.5346 155.2068 28.7636 - -133.7384 167.5967 -76.6623 0.0000 - 163.4582 145.8865 131.0969 139.3639 120.2133 88.3489 122.4724 147.5888 - 155.7623 0.0000 0.0000 126.7399 161.7160 103.9234 0.0000 136.7364 - 119.5984 96.0487 89.9900 104.7237 - -39.3670 -124.1835 -9.2797 -84.1393 -69.1105 -83.9167 -111.5601 -131.1530 - -3.6596 0.0000 0.0000 -157.3529 -99.8569 -70.1052 0.0000 -80.8249 - -119.2195 -105.7364 -110.4315 -60.5865 - Initial conformation 85 - 98.7985 117.7934 131.6064 105.1216 90.2673 122.0594 117.6763 95.6419 - 115.4349 121.5133 119.1929 82.2599 146.4628 147.6375 126.0339 109.6454 - 136.5347 145.7133 105.5257 120.7774 - 168.9718 65.3827 -122.5641 153.8745 -25.2772 130.0470 64.7054 -42.2070 - -66.7292 -10.2876 164.0192 -91.3608 -125.9640 118.1430 -154.5336 44.7022 - -9.7911 67.1839 136.6238 0.0000 - 161.4859 156.3175 126.4550 141.2577 131.1233 110.3969 143.8890 151.7876 - 125.8730 0.0000 0.0000 103.7654 90.0962 131.1334 0.0000 155.4489 - 125.6717 124.5480 120.7355 122.8219 - -32.1749 -116.8394 -153.5934 -97.2805 -92.9060 -135.3751 -52.6583 -120.7864 - -106.4850 0.0000 0.0000 -116.6323 -55.7447 -150.6236 0.0000 -18.2121 - -146.5260 -147.2886 -120.1649 -64.0304 - Initial conformation 86 - 89.2274 82.1643 107.3370 118.8527 101.6573 117.3033 95.6767 109.9501 - 97.1042 82.1454 116.1974 72.8160 130.8096 119.3448 135.0317 99.1907 - 101.9262 122.3230 91.9048 94.7791 - 20.7006 144.8973 -101.4902 -73.2294 83.7868 159.4238 65.1052 156.5024 - -78.2903 -145.9560 75.0614 22.8784 -123.0965 -37.3877 -18.6606 -61.4159 - -15.9909 -94.2073 -134.2729 0.0000 - 153.1875 149.6812 147.3703 160.3372 116.0034 150.2855 137.0384 159.0506 - 153.5904 0.0000 0.0000 91.6045 114.1953 153.4390 0.0000 148.7454 - 101.0427 116.6170 104.2602 87.9132 - -161.2511 -168.6192 -3.2463 -25.7120 -96.3412 -141.9995 -109.6850 -108.4402 - -15.9686 0.0000 0.0000 -82.4342 -58.3368 -86.9423 0.0000 -122.0751 - -124.2638 -130.2570 -110.8563 -57.6906 - Initial conformation 87 - 107.0381 101.5914 126.8153 110.0730 86.0289 103.9838 123.7070 125.8392 - 93.6302 98.1253 119.3272 93.3919 124.6992 110.8988 122.0413 141.5458 - 141.8197 99.4078 109.6239 122.5116 - -134.9534 126.6430 135.4338 -66.7969 126.5659 57.4189 -55.0904 -109.6268 - -174.0741 56.9211 141.1600 -32.7350 -142.3216 -175.3447 122.4280 -17.9382 - -99.6194 -155.4953 -9.6929 0.0000 - 129.9812 151.5972 156.0256 168.2602 108.5770 163.9105 162.2212 170.9175 - 136.0692 0.0000 0.0000 108.5611 144.5582 125.7196 0.0000 126.6505 - 122.2761 102.9592 130.2577 111.6640 - -134.8974 -28.6872 -177.7718 -53.4195 -115.1900 7.3797 -159.3095 -144.2346 - -122.4084 0.0000 0.0000 -103.5523 -62.6777 -135.2057 0.0000 -43.1356 - -147.9072 -113.6423 -133.3885 -96.5089 - Initial conformation 88 - 105.2575 95.4029 118.8873 146.0307 99.7877 125.4070 132.5733 143.9502 - 88.5408 129.4404 107.7064 98.4127 100.4684 146.0463 145.3055 134.8706 - 117.7435 136.0407 70.0941 89.2099 - -151.3553 10.6189 -12.7164 80.8638 82.6506 169.9337 76.1291 -103.1020 - -121.8372 -173.1747 9.4274 -157.0127 -151.4991 152.3403 143.8518 103.7857 - -59.7481 -168.8872 -167.6700 0.0000 - 143.9010 141.9964 148.3094 135.5272 128.3783 163.0063 139.5037 167.8116 - 128.4040 0.0000 0.0000 98.6237 144.8176 119.5454 0.0000 117.8940 - 119.6238 121.3523 100.3692 89.8699 - -120.3837 -105.1823 -172.4668 -74.0534 -123.9256 -149.7383 -75.8906 -53.9640 - -134.7644 0.0000 0.0000 -134.8573 -168.1018 -35.8103 0.0000 -93.5993 - -130.6090 -139.1222 -106.4402 -72.1044 - Initial conformation 89 - 98.9607 94.0140 111.5778 105.4073 116.0212 110.7035 96.1960 87.8883 - 147.4458 95.5367 140.3112 106.0679 105.7816 148.3214 88.4276 139.8376 - 74.6580 131.7182 120.9821 119.1431 - -91.0807 -127.3573 -20.4953 -161.9969 35.8705 55.1750 -178.6014 -11.6880 - 113.0917 -97.4760 -15.1254 117.2959 -171.2751 -20.6040 83.0702 125.3745 - 21.8886 -155.0199 108.5246 0.0000 - 138.9769 174.1612 134.3350 164.0470 155.1376 170.2059 160.3841 147.3936 - 125.2232 0.0000 0.0000 99.7568 127.9833 93.8628 0.0000 124.5252 - 100.3337 116.1587 117.2993 146.7512 - -160.1727 -172.1246 -14.2248 -125.0683 -167.7702 117.5136 -139.2225 -149.4345 - -79.5456 0.0000 0.0000 -120.9868 -56.8499 -52.6462 0.0000 -29.4296 - -77.4925 -124.3565 -121.7624 -136.0860 - Initial conformation 90 - 114.3875 97.0331 82.6155 132.5394 137.3781 102.2902 142.5964 142.0330 - 97.6985 86.3889 125.3159 124.8112 101.1652 89.9716 120.3973 127.7494 - 153.8105 112.2565 112.6978 143.8694 - -18.6747 -110.1585 -161.9878 -63.3995 32.6409 -64.9235 19.4536 29.0750 - 103.2716 173.6424 90.4173 39.8393 134.4395 -17.4066 31.9507 -172.4238 - -85.7842 23.6490 129.0659 0.0000 - 139.0840 168.3496 132.8304 177.3047 155.8901 145.1850 139.1309 138.7949 - 135.4261 0.0000 0.0000 108.0043 129.1373 98.7458 0.0000 143.6878 - 132.4514 122.2744 118.2815 114.9105 - -105.9121 -2.0351 -5.2809 -176.8241 -148.6580 170.9541 -109.3535 -18.4355 - -128.9919 0.0000 0.0000 -113.9219 -36.0438 -70.6837 0.0000 -98.0761 - -178.2639 -122.2633 -121.3843 -59.4332 - Initial conformation 91 - 110.7216 101.9501 120.5914 83.5009 135.5202 112.3713 87.6670 110.3128 - 126.2242 138.7543 104.0514 164.2755 93.3245 133.8464 132.2001 104.8498 - 117.0213 111.0815 90.4994 92.8310 - 120.3876 41.8504 -2.7431 -158.5144 46.8104 -50.9727 121.3301 -112.6016 - 18.4686 -74.5903 149.4130 2.5085 -42.6106 -153.8047 -107.3647 75.9506 - 156.3558 -26.5743 -114.1198 0.0000 - 118.0931 153.9431 159.9337 141.1314 145.2000 150.4737 145.6463 158.7524 - 139.3797 0.0000 0.0000 151.6512 138.8480 138.2300 0.0000 152.1466 - 123.0090 128.5137 102.6253 154.5230 - -75.7997 -135.8033 165.4791 -74.9349 159.0940 29.7105 -153.2001 -136.1649 - -42.4353 0.0000 0.0000 120.0110 -93.4559 -78.2844 0.0000 -124.3605 - -130.8312 -123.1304 -94.3632 -152.6215 - Initial conformation 92 - 111.9709 86.4706 101.7493 103.6855 125.1220 159.7908 139.2574 144.1014 - 130.4238 106.5602 96.2692 125.1105 134.2349 150.3106 109.2337 124.4071 - 124.8280 112.9850 79.6215 145.2855 - 97.9026 92.4507 -64.3422 103.3745 -162.1666 130.4704 -0.7283 21.2376 - -176.3137 -34.1668 -113.7684 93.1069 -74.4094 -25.5041 55.3261 109.4393 - 11.4569 77.4225 -32.5085 0.0000 - 125.5200 144.1034 142.4116 133.5145 168.4100 81.1945 136.0480 112.4480 - 148.7378 0.0000 0.0000 121.2010 114.7807 80.9935 0.0000 140.7290 - 121.7257 118.2821 98.9705 94.4239 - -162.6192 -55.3587 168.6762 -63.3666 -122.0288 -48.6155 -118.1682 -22.6210 - -37.2781 0.0000 0.0000 -125.3580 -112.5865 -65.9080 0.0000 -113.5762 - -134.1465 -121.3811 -101.3543 -61.8276 - Initial conformation 93 - 99.2539 102.7448 119.7557 118.9924 144.0271 112.8710 121.8275 111.2569 - 160.7178 117.5301 141.6159 129.3172 96.4593 93.1007 132.6084 95.7994 - 71.4480 90.7357 110.5797 104.3150 - -176.1960 -104.6270 -31.1684 -28.8663 -79.0394 80.7449 176.0662 -169.0094 - -60.9793 124.9333 12.6595 117.0610 157.9306 54.2639 -129.7086 133.9214 - 114.9341 -73.5478 -168.7190 0.0000 - 159.9647 124.4519 112.3198 159.5838 129.6145 167.9081 156.5301 159.2016 - 86.5236 0.0000 0.0000 115.9694 161.6875 105.1696 0.0000 128.4389 - 96.5189 105.0339 109.7912 162.5139 - -101.5920 -85.8377 -87.2237 -134.6828 11.9199 175.9704 -25.2687 -72.6030 - -90.2166 0.0000 0.0000 -128.5897 -22.3363 -71.2479 0.0000 -95.2011 - -79.7728 -94.4058 -97.8005 -97.9654 - Initial conformation 94 - 110.3963 143.7410 128.0023 81.0759 124.3265 116.7817 95.1881 155.9710 - 97.9618 122.0300 124.3753 145.4244 105.8616 114.7697 110.1387 88.4394 - 146.4843 127.3899 90.4195 135.4494 - -141.1592 -158.7044 -60.1336 41.9268 -44.6013 -134.0231 -15.4514 147.0455 - 87.1829 -88.4092 169.4458 -138.2440 -4.8319 -116.8706 -104.4691 -103.1158 - 146.3085 153.4939 -59.9922 0.0000 - 136.3243 127.4090 146.8676 139.5218 155.0806 145.3596 154.8032 128.7403 - 139.3839 0.0000 0.0000 116.0857 142.8450 148.2843 0.0000 132.1390 - 124.3301 122.9389 98.5235 106.5293 - -119.3387 -29.5661 -9.6772 -89.4159 -156.3499 7.9727 -32.3369 -76.9653 - -96.4900 0.0000 0.0000 -147.0811 -68.2853 -47.0319 0.0000 122.6159 - -155.2412 -148.4758 -92.4556 -58.1727 - Initial conformation 95 - 117.1320 89.6861 116.0862 131.4338 84.8752 124.7465 116.5591 107.9095 - 148.5980 138.1630 165.8682 101.1367 93.1236 153.4212 96.1204 101.0884 - 109.6598 129.3115 138.6893 90.8411 - -158.3390 101.1716 161.0369 121.1798 -130.8264 73.6754 -114.4996 -106.9357 - -3.5925 7.7982 -13.0790 -102.4051 132.0508 36.6562 173.9130 -5.6902 - 155.0276 65.0219 19.2615 0.0000 - 123.8589 171.1564 135.2502 153.5899 140.0523 156.6557 142.7848 177.5150 - 108.2500 0.0000 0.0000 108.3321 158.2900 84.5814 0.0000 150.2267 - 114.8533 129.7278 120.5351 107.2063 - -92.4641 -167.0184 -9.1694 -90.2292 -131.7871 -137.1396 -53.5370 155.7227 - -70.7947 0.0000 0.0000 -141.3010 -58.1988 -58.1334 0.0000 93.7530 - -115.4028 -140.6730 -144.6270 -72.7873 - Initial conformation 96 - 110.6788 140.6795 143.5160 113.5727 130.4437 111.0910 90.4357 123.2185 - 91.6130 118.6764 126.1258 118.7714 119.4072 128.6999 119.8524 145.7674 - 150.1827 124.9157 105.9904 88.5437 - -77.3501 19.4142 150.3458 -4.0949 38.6067 113.2761 -146.0496 -17.7679 - -100.5949 -124.4273 25.2955 -159.4298 26.1219 92.1951 120.1601 81.4598 - -179.4533 26.1780 31.1090 0.0000 - 175.7408 120.3104 110.4754 167.6578 155.0254 129.3537 169.7884 149.0285 - 129.3848 0.0000 0.0000 122.1302 162.1458 137.0954 0.0000 120.2490 - 133.1292 121.9980 118.7339 148.3575 - -21.2849 -91.3646 -85.4270 173.8058 -91.7850 -33.5996 -134.8707 -61.5881 - -103.7002 0.0000 0.0000 -130.2823 -98.6384 -92.3268 0.0000 -40.9943 - -173.9764 -132.3566 -113.8799 -24.0847 - Initial conformation 97 - 108.9814 92.9533 105.2619 128.0633 89.9592 107.2168 107.7465 100.2263 - 144.0850 130.9592 145.0472 95.2995 111.6906 118.0798 134.3731 113.4234 - 167.4472 124.4694 107.0159 138.3674 - -80.5610 -90.7355 -166.1678 162.6034 -60.7045 -90.8963 -88.2584 -8.1304 - -121.0432 177.0472 125.2799 63.3302 -54.2436 142.6471 112.7185 36.9704 - 172.0392 70.0876 168.2430 0.0000 - 148.2753 146.1789 139.0459 160.4924 150.0906 137.8304 154.4500 145.4515 - 105.7442 0.0000 0.0000 105.0179 152.3517 153.8860 0.0000 172.6316 - 146.3665 113.4131 109.8965 143.8866 - -157.5287 -155.8241 161.0036 -40.4392 -59.3265 172.7197 -136.7052 -118.3623 - -98.0023 0.0000 0.0000 -124.7610 -113.8850 -77.8376 0.0000 153.8705 - 93.0717 -120.2117 -99.0446 -82.2264 - Initial conformation 98 - 92.3532 93.8685 134.8192 69.4463 89.3329 113.8044 140.0356 130.3871 - 107.5649 128.2063 92.7435 101.0718 97.8166 112.7222 105.4157 119.9559 - 112.8930 101.2185 128.5396 98.1402 - 144.4248 -121.1742 42.1383 -125.4046 91.6043 -156.5347 37.6701 -26.7687 - 102.8321 55.4362 -151.1404 -84.8520 65.6010 -31.2060 -124.9522 161.2117 - 153.9161 -19.7954 87.4510 0.0000 - 170.0369 157.6993 134.6804 142.3319 143.0571 133.6971 132.8418 141.5939 - 134.5219 0.0000 0.0000 96.1978 115.4567 156.2444 0.0000 110.7458 - 127.4432 108.8885 129.0262 106.9418 - 17.4511 -7.5792 -160.6041 -84.1572 -75.5769 8.8807 -88.8989 -105.9180 - -112.0262 0.0000 0.0000 -133.3899 -58.9512 -78.6141 0.0000 -70.9264 - -132.8328 -132.5448 -149.3081 -69.1491 - Initial conformation 99 - 96.4092 88.2111 120.5528 148.9428 123.7020 136.5799 94.3183 126.7382 - 89.9111 122.9935 115.3237 93.7462 103.7845 87.9548 113.5893 90.7655 - 93.1044 61.2019 109.6394 109.4699 - -27.7333 45.3726 -141.0820 -128.3948 44.3645 67.0917 50.0082 -52.5330 - 142.0450 -47.6617 -159.8580 -40.2884 120.8662 119.9235 157.8554 -5.2128 - 142.9256 -67.6396 8.9795 0.0000 - 145.7160 114.5832 127.9662 150.2595 146.4384 105.9845 164.9643 130.3904 - 143.4507 0.0000 0.0000 93.8057 132.6132 104.9849 0.0000 158.7241 - 101.1829 110.7478 122.4142 159.0575 - -50.8447 -43.8340 -11.1939 -78.6851 166.7714 -76.0356 -167.7627 171.1938 - -136.7107 0.0000 0.0000 -123.8758 -80.4695 -56.0179 0.0000 172.6950 - -118.5231 -86.8815 -124.3613 -100.5434 - Initial conformation 100 - 91.8366 95.5662 83.1251 84.7950 160.5178 90.1172 153.4698 138.3453 - 117.2054 147.1187 107.0221 142.7252 117.4444 117.3481 112.1981 102.6672 - 171.0000 110.1256 144.8502 142.3382 - -94.9233 -59.9556 146.0223 86.8849 -82.7945 -48.4073 150.6429 45.4903 - 177.3190 -53.0747 118.5058 -178.1925 -5.3986 154.0985 -117.5315 40.1312 - -28.7493 24.4267 61.2819 0.0000 - 155.8392 149.8175 147.5977 147.0619 166.6009 171.5814 126.9670 159.3999 - 109.4575 0.0000 0.0000 124.2167 104.1895 104.1663 0.0000 138.7731 - 155.7833 127.4930 125.6392 119.4000 - -157.2286 -131.2691 -1.5031 -78.0311 26.5430 139.1312 -15.5855 -21.5647 - -77.3349 0.0000 0.0000 -153.9663 -74.0374 -60.5372 0.0000 -174.9921 - 45.5753 -129.5771 -151.1467 -86.0684 - Initial conformation 101 - 139.9830 123.6356 158.8180 83.2278 112.0529 129.9948 101.6840 126.1771 - 147.8173 99.3985 115.2720 106.5248 152.1663 126.7958 142.1854 117.4353 - 117.3054 96.4824 87.9186 128.7048 - 131.3517 -134.6891 6.7939 87.5383 -26.0847 -39.7455 -134.3444 97.5811 - 173.0505 -132.8866 68.8480 -62.4080 152.4683 94.5405 84.2393 -8.5960 - 118.1985 -158.0230 -111.1289 0.0000 - 109.7130 149.4840 95.4679 140.3024 139.8081 105.8584 150.7260 153.3793 - 153.4054 0.0000 0.0000 123.6906 90.3830 117.6757 0.0000 141.5718 - 125.6256 88.8683 105.0608 126.2682 - -80.4555 -34.9088 -73.1736 -58.9982 -127.2694 -24.2784 -145.6550 -153.8064 - -35.1849 0.0000 0.0000 -121.0918 -59.0248 -72.1654 0.0000 170.1333 - -127.0152 -115.1764 -114.2120 -128.4532 - Initial conformation 102 - 90.1694 117.1833 119.7870 131.3152 94.1228 88.1753 126.3631 145.6478 - 105.9386 127.4390 130.7470 120.0905 95.5795 125.8411 121.3001 139.7602 - 126.8998 123.2924 171.0000 118.3237 - -10.5797 15.0037 14.0055 -176.0420 -118.8252 132.0061 57.4841 99.7688 - 34.0267 -163.0385 -0.0646 135.3658 -133.1582 131.5125 -126.2607 -98.2692 - -48.7158 134.6662 -114.6570 0.0000 - 139.0674 158.5247 148.9457 141.6340 134.1229 133.5297 125.8700 153.8543 - 152.1681 0.0000 0.0000 116.3683 110.8286 128.1954 0.0000 141.1343 - 123.5172 133.7689 160.6808 127.0801 - -157.0445 -148.3629 -164.6306 -75.8881 96.3414 -32.9046 -68.8119 -85.6106 - -22.8632 0.0000 0.0000 -129.8579 -58.2100 -44.2069 0.0000 -82.2318 - -130.6392 -146.4443 33.8692 151.4971 - Initial conformation 103 - 123.7792 91.4259 121.6664 128.0046 85.0219 112.2642 130.4896 117.0979 - 95.9005 123.1589 123.7850 115.8600 138.4470 129.8753 123.0557 105.4294 - 96.1497 158.7035 114.5259 162.4045 - 129.5111 -49.1467 173.0884 90.2061 122.5344 -28.5435 -37.0267 10.3605 - -162.8042 -33.7127 -18.8834 -45.4876 -15.6362 96.7946 129.9006 -134.9765 - -33.8290 -167.7802 100.8697 0.0000 - 163.2511 148.1086 142.8002 171.4121 151.2755 157.1681 136.1208 176.0084 - 135.1371 0.0000 0.0000 113.0199 96.7884 133.3364 0.0000 151.1718 - 108.2866 142.3293 114.5963 62.4932 - -16.4459 -120.5165 -139.6196 -142.4252 -169.2351 37.7714 -56.4184 -150.7413 - -76.0054 0.0000 0.0000 -118.9119 -63.1398 -51.9375 0.0000 -107.8542 - -108.9442 151.9247 -117.6312 -51.1738 - Initial conformation 104 - 115.1762 85.8925 116.9637 120.3362 133.4289 120.8580 100.5692 122.7365 - 94.6168 93.1459 126.2493 118.9881 91.7140 113.7779 145.3130 103.6633 - 106.3466 130.8966 101.3146 122.9733 - -3.7553 15.1438 128.0975 -111.5760 67.0894 -8.8059 110.7473 -9.1854 - 176.3548 160.8076 -12.4348 120.1854 10.6932 78.5953 96.0839 -22.7091 - 53.1527 -140.2755 -136.3671 0.0000 - 126.8175 150.0203 112.1777 159.2937 151.0524 146.2335 162.1690 138.9619 - 122.6913 0.0000 0.0000 120.2405 107.1807 106.1405 0.0000 138.3109 - 120.3056 130.1281 95.7761 132.9050 - -149.5591 -98.0891 -102.5191 -44.1631 -93.6802 -29.0249 -27.3006 -100.3979 - -73.1518 0.0000 0.0000 -134.0551 -71.1355 -70.9336 0.0000 -173.7538 - -116.5128 -142.6980 -125.5253 -139.2959 - Initial conformation 105 - 142.1826 58.6973 111.3721 147.2249 116.0175 97.3367 120.9578 85.3073 - 91.6803 129.7479 141.0651 105.3176 119.6102 106.9409 119.3010 126.4684 - 123.5013 129.6610 149.1173 135.9037 - 167.1199 -49.5041 80.5093 -51.2811 126.2232 111.5731 156.1142 81.6707 - 38.5706 121.2891 125.9812 172.0015 147.5137 147.1584 -68.4793 95.0756 - -82.9904 -59.3628 10.0037 0.0000 - 149.8237 174.8413 150.6408 152.6557 146.9060 146.2785 152.6476 159.3396 - 154.1592 0.0000 0.0000 92.9714 98.2219 99.9616 0.0000 137.6237 - 125.9641 125.8714 131.0922 96.0679 - -26.6993 -172.7155 -147.3965 -72.1863 -168.6637 124.6183 -47.2035 -61.3963 - 1.7188 0.0000 0.0000 -123.0055 -67.0569 -77.1063 0.0000 -161.0086 - -135.7040 -144.8868 -168.1188 -69.7142 - Initial conformation 106 - 129.5654 107.3892 91.3514 62.4509 115.2452 113.8092 123.7617 130.7614 - 132.2350 114.9510 99.0947 132.8467 121.9883 94.1500 117.0440 95.0111 - 117.1450 82.0646 119.1813 87.5293 - 84.3509 1.9800 -68.2906 -174.3170 -23.6221 -44.5725 -95.8393 -81.4950 - -174.1394 28.7367 122.4730 13.9187 51.6551 -9.1698 120.5515 83.2606 - 9.3981 -81.3132 99.8841 0.0000 - 120.8964 150.3915 148.0099 136.6559 134.0114 134.1637 144.0825 164.8363 - 111.8660 0.0000 0.0000 124.1950 92.5833 89.7536 0.0000 132.3774 - 121.8408 107.2689 123.5694 152.5118 - -73.9821 -25.0879 9.6049 -63.0519 -136.9734 7.7977 -87.3831 -68.0803 - -73.6807 0.0000 0.0000 -140.3259 -66.5595 -74.7826 0.0000 -39.7571 - -129.7802 -112.9742 -134.4762 7.7391 - Initial conformation 107 - 120.5367 92.1306 127.2318 84.6996 102.5899 101.9061 107.7639 122.4703 - 171.0000 127.8896 116.2272 128.2215 95.2017 104.3693 161.0857 110.6541 - 88.9562 139.2553 133.3432 135.6850 - -78.3498 144.6521 -17.0220 137.5326 -162.8403 -58.7732 19.2173 -41.4877 - 154.0605 -131.0015 -105.0310 -102.1626 -161.3942 -119.7617 -94.8115 80.8887 - -4.7472 -63.5604 -128.2990 0.0000 - 149.6786 145.7996 136.0376 132.0265 139.0925 140.1080 154.2727 139.1977 - 78.3603 0.0000 0.0000 128.9730 130.9017 154.3968 0.0000 134.6622 - 111.1595 124.4377 125.7969 98.7415 - -136.4068 -85.2236 -149.9194 -56.9392 -69.1320 -26.8453 -24.9215 -136.7506 - -87.1508 0.0000 0.0000 -139.4730 -58.2846 -71.2262 0.0000 -127.5824 - -104.1793 -145.6564 -142.8588 -73.6942 - Initial conformation 108 - 134.5539 99.6209 104.4651 107.4490 98.3683 138.2953 125.4449 116.4964 - 119.8486 126.9865 132.6669 145.5479 110.7880 139.4919 97.2376 110.7830 - 87.0054 117.5150 113.6066 155.7697 - -38.5708 117.8956 -157.0466 142.2738 80.1110 -28.9948 161.4285 111.1826 - 91.2543 164.0002 153.3939 -14.1756 -61.7442 153.1421 87.9576 172.0741 - -59.2203 136.2248 156.3844 0.0000 - 121.2272 148.7384 146.4964 143.1179 126.6868 133.1585 139.7704 144.6893 - 149.5793 0.0000 0.0000 136.2035 155.0480 104.3293 0.0000 120.3356 - 96.1045 127.5257 126.7486 83.4931 - -120.7410 -76.8988 -150.4360 -79.8349 -167.0829 -133.9893 -36.5547 92.3884 - -10.3811 0.0000 0.0000 -165.9723 -94.6890 -121.7204 0.0000 -68.2558 - -108.7933 -142.5014 -130.9629 -53.4750 - Initial conformation 109 - 98.0477 97.7344 135.0934 114.4905 126.0950 98.5434 74.8033 144.7006 - 137.6839 103.4103 111.0851 109.5016 105.8962 122.8648 123.3764 138.6436 - 146.1736 136.3485 125.0689 120.2374 - -16.9873 -91.7962 -42.6569 -94.4850 -33.5741 -112.4844 -148.8068 -136.8219 - 164.1089 -131.6834 -16.3702 -168.5263 162.3180 98.6783 -145.7959 -16.9214 - -170.2638 60.6300 -73.1016 0.0000 - 137.1504 155.3287 143.4445 166.1482 160.2327 152.8768 163.6271 124.7609 - 136.0998 0.0000 0.0000 114.7620 163.7752 137.4651 0.0000 123.3087 - 122.1641 118.6019 122.9429 132.9824 - -137.2174 -19.3033 8.8230 156.5684 -48.5154 -152.5221 -11.4305 -79.3796 - -17.2521 0.0000 0.0000 -108.2482 -18.8693 -91.1289 0.0000 24.4063 - -154.2443 -137.1783 -134.4166 -106.9869 - Initial conformation 110 - 104.6428 108.8508 133.4568 143.8575 106.1916 123.8912 91.0284 115.1005 - 136.0007 106.6659 154.4189 104.2532 131.4984 89.2372 130.2147 120.5951 - 124.7519 85.1468 115.3511 126.7058 - 114.8995 -10.0832 -74.7331 171.0883 -61.7295 29.7958 127.5616 -113.8253 - 87.6611 -71.1467 -139.1679 -142.8991 153.2591 9.3452 -69.8106 -0.1867 - 41.6500 79.3668 117.7215 0.0000 - 166.4183 155.9864 145.0565 150.2625 140.5682 121.0038 162.8641 143.1118 - 121.6681 0.0000 0.0000 108.5720 103.6856 162.0920 0.0000 139.5896 - 134.7705 92.6527 117.4464 144.0507 - -11.7406 -40.7700 -176.3616 -69.3221 -162.0712 -112.8632 -5.4485 127.2277 - -87.5231 0.0000 0.0000 -107.5084 -75.3106 -29.4322 0.0000 172.7428 - -134.7751 -96.0400 -124.4586 -92.9133 - Initial conformation 111 - 96.1935 82.7240 111.0061 87.0481 89.8540 149.7933 116.0493 129.0767 - 120.7960 130.7802 127.3114 93.2291 121.3854 113.3018 124.6323 171.0000 - 143.9224 114.2681 101.4160 136.6870 - -33.1371 -68.8230 -117.7846 133.3752 175.7624 162.5059 -88.0142 178.4669 - -148.9004 -121.4646 -26.6333 -47.4374 74.7901 -126.7788 41.1452 113.9657 - -143.4840 -72.2445 95.1481 0.0000 - 160.8215 150.0693 133.2476 143.8030 163.9448 91.8795 150.4348 141.6097 - 149.0595 0.0000 0.0000 98.4756 107.2097 110.0032 0.0000 48.1430 - 130.6355 118.7603 96.1255 102.9009 - -58.0645 -139.7071 179.2572 -88.0669 -38.7765 -65.2606 -94.9571 -121.6678 - -8.2359 0.0000 0.0000 -115.2953 -51.1354 -58.2002 0.0000 96.3075 - -163.1484 -124.4517 -123.7741 -60.9534 - Initial conformation 112 - 130.7666 91.0337 143.3577 100.1638 94.9153 100.1955 153.9548 109.9059 - 91.2133 125.6643 158.8323 117.5022 128.8516 114.2927 113.9970 86.6138 - 142.8986 123.6067 147.3245 132.7233 - -134.8839 -19.6819 19.6545 -40.6205 -165.2535 117.8826 71.1319 43.3477 - 58.4503 -38.9767 -139.0104 -92.3480 -140.2800 107.1142 -104.0991 25.2565 - 170.3909 -177.8773 -116.9420 0.0000 - 118.2152 149.9667 119.3375 161.0056 128.3889 131.2022 134.8698 146.1102 - 148.4289 0.0000 0.0000 119.7122 158.2132 150.2155 0.0000 155.1914 - 123.9994 128.2723 132.4004 100.8661 - -92.4789 -155.9136 -158.7838 -163.4963 -138.6037 -9.4133 -46.4723 -70.7585 - -28.0812 0.0000 0.0000 -121.4922 -28.4683 -91.7028 0.0000 172.0238 - -147.4776 -141.2705 -163.1569 -64.5816 - Initial conformation 113 - 130.7571 92.9839 102.1197 111.5779 93.5114 122.9645 99.8304 104.7478 - 128.3906 144.5525 117.6745 113.1776 90.3462 134.9594 148.3776 116.6425 - 130.1662 144.3497 97.8012 86.3041 - -148.0863 -93.8812 25.1810 66.9965 6.6898 -118.5991 -9.9887 -37.6265 - 4.7219 -177.9360 -74.1324 49.1527 -150.1719 -86.6194 -170.5902 -37.0059 - -170.6614 -176.8935 -14.8775 0.0000 - 139.1514 143.3528 154.2139 137.0128 135.4776 114.2090 160.1924 141.8710 - 158.7418 0.0000 0.0000 115.1348 159.0053 92.6892 0.0000 150.1460 - 130.2816 134.9404 99.0912 117.3905 - -30.1843 -32.1438 167.2218 -53.1428 -59.0943 -22.5652 -15.1105 -128.8881 - -8.2498 0.0000 0.0000 -121.0263 -117.3181 -66.2437 0.0000 -11.3624 - -138.8017 -162.3054 -125.9493 -85.8144 - Initial conformation 114 - 129.0744 89.6169 113.3915 123.7902 104.1143 128.1655 131.7824 101.9469 - 130.4498 135.1338 124.4194 105.9966 96.7184 113.2086 165.4055 115.6393 - 88.1777 125.6492 141.8889 102.9515 - 78.2937 57.9584 49.2354 0.2608 -112.0136 -84.8968 45.5799 51.4822 - 16.3253 -133.3354 132.3814 -32.7203 169.8217 128.8015 -123.1223 -56.5207 - -165.9293 17.2376 5.4732 0.0000 - 124.1927 162.7069 138.7167 167.0333 124.5162 124.7900 137.3092 133.7153 - 116.7853 0.0000 0.0000 118.6139 109.8383 136.5248 0.0000 132.7733 - 95.5514 121.6185 130.4258 110.2676 - -80.5366 -179.9150 -155.7152 -147.2175 -38.4047 -20.0359 -81.0362 -54.7181 - -95.5228 0.0000 0.0000 -102.4160 -79.2021 -36.4602 0.0000 -72.1380 - -94.0637 -128.9131 -152.2449 -68.5127 - Initial conformation 115 - 102.2908 121.5715 130.0534 133.8286 69.8042 141.9775 97.7715 94.5896 - 125.5218 94.4961 122.1260 151.4509 115.6796 118.1447 147.2399 125.0253 - 157.2641 139.2951 121.2841 105.9314 - -93.6229 -124.7880 27.4944 3.5999 25.8233 173.9995 152.6865 123.6218 - -5.6600 -144.8981 74.4870 -27.1988 146.8050 -150.6112 25.2528 37.1722 - 82.1208 -92.3074 -54.8810 0.0000 - 149.6128 150.2481 134.2902 169.3454 130.7294 106.3818 150.7694 138.4124 - 146.2091 0.0000 0.0000 132.5658 137.3415 149.4502 0.0000 138.4012 - 133.2567 115.7242 123.4618 129.2009 - -125.9055 -146.1940 -25.5586 -120.8787 -170.5689 -91.9612 -137.8519 -46.3308 - -26.2845 0.0000 0.0000 -172.0589 -70.3251 -82.0516 0.0000 -134.9376 - 172.4077 -141.3892 -130.2232 -80.7483 - Initial conformation 116 - 99.6274 92.6327 120.1878 129.7512 124.4464 111.4838 99.9014 127.1251 - 131.7033 115.7854 86.5906 110.2369 123.0631 106.2186 122.7582 133.6257 - 127.1799 102.4497 131.2067 146.3427 - 29.5012 17.9108 -149.6258 -81.8642 -89.1220 1.3284 82.1261 81.8432 - -109.5546 -71.3497 -50.8384 -159.1123 44.4330 -67.4767 -161.2290 90.3892 - 104.1012 -0.4140 110.0405 0.0000 - 157.7853 149.7955 159.4898 152.9804 160.4386 131.0766 150.0135 171.0476 - 165.7541 0.0000 0.0000 108.5353 89.3198 141.3979 0.0000 129.3405 - 120.8521 99.7902 126.4900 97.1319 - -122.8208 -115.3777 -161.4398 -93.7191 104.5638 -32.4242 -164.1271 -146.6407 - -11.6051 0.0000 0.0000 -103.7730 -74.9935 -90.0299 0.0000 2.1473 - -140.0953 -96.8556 -145.0433 -64.7226 - Initial conformation 117 - 87.2281 104.5544 130.3269 148.2128 143.7907 125.8756 98.3002 124.0895 - 136.9769 151.3904 149.8384 84.8715 103.7381 94.2206 132.2032 104.6706 - 96.6240 142.2669 110.6822 133.2738 - 120.8685 44.2965 -1.8236 36.6333 -155.9379 -96.5253 34.6561 11.1264 - 155.7291 -71.8534 92.3035 -91.2886 120.2237 30.1466 86.2257 -17.3790 - 18.3873 3.8860 -139.5693 0.0000 - 153.0429 140.3573 138.2154 132.4703 144.8115 150.6143 152.5555 148.7232 - 155.0193 0.0000 0.0000 87.9732 142.1752 150.7349 0.0000 133.1914 - 93.0608 127.3964 128.1922 107.0611 - -155.5776 -170.6178 173.5631 -66.8539 -92.9704 4.3416 -19.9892 164.0371 - -11.1743 0.0000 0.0000 -95.0363 -123.3291 -80.9380 0.0000 93.4108 - -108.1774 -150.7760 -132.8419 -68.8896 - Initial conformation 118 - 101.1951 93.0297 104.8776 147.5239 115.5761 135.4551 152.8769 162.2409 - 144.8029 117.1392 156.1640 97.3230 109.8242 126.3680 105.0101 142.3322 - 140.4640 89.2504 57.8827 145.0149 - 57.5217 100.4998 164.2255 -108.5420 -21.1615 148.3655 -25.5604 -1.5864 - -155.0715 114.2267 -38.8120 -80.7081 75.4624 -108.8480 -94.5293 95.7298 - -52.5537 28.6608 -145.1474 0.0000 - 163.4308 146.7688 122.4268 133.3529 171.0769 93.5707 128.4213 126.4486 - 89.6664 0.0000 0.0000 95.7804 148.3359 96.6619 0.0000 126.0082 - 123.8025 103.0188 115.3452 99.7843 - 12.8365 -121.2035 -102.2687 -71.0749 163.6045 -87.0788 -47.2242 124.5583 - -83.0307 0.0000 0.0000 -101.4701 -140.4637 -77.0658 0.0000 -85.1263 - -152.0624 -98.3267 -91.7045 -58.9382 - Initial conformation 119 - 111.5115 95.2564 119.4499 92.1612 119.5858 110.3959 128.7876 124.8512 - 117.3382 128.9644 131.4152 105.7860 119.1144 126.1176 113.5647 123.0077 - 94.4614 115.3431 126.9533 149.1670 - 102.1228 10.1893 78.3962 -140.0926 18.4036 78.8650 56.8428 -54.4628 - -105.0921 44.5967 -95.9165 -124.8913 -67.0771 -160.0201 -135.0766 34.9694 - 31.9765 130.7974 82.9725 0.0000 - 118.8273 161.8776 146.4223 145.1442 140.8602 98.8394 145.6556 154.3519 - 122.4633 0.0000 0.0000 119.7164 156.4229 98.5364 0.0000 150.5189 - 101.1683 119.5397 111.1062 97.0999 - -91.1580 -172.4608 -155.6094 -75.7175 97.4236 -61.7628 -137.0210 -160.4473 - -150.7946 0.0000 0.0000 -120.1808 -38.0331 -57.9714 0.0000 5.3050 - -119.7162 -121.6589 -122.0309 -61.0803 - Initial conformation 120 - 103.0096 142.5056 125.8717 132.7056 109.1430 96.9605 118.5762 105.0426 - 143.8235 146.6554 137.6306 133.3476 120.8373 122.0605 93.7175 101.8206 - 111.2650 95.7359 147.1717 125.1412 - -112.3034 129.2305 -50.1983 -12.9027 158.9085 -43.2209 10.8050 82.0807 - 118.2361 -54.2012 67.6866 142.7873 22.1083 -110.8763 -97.5119 177.8222 - -29.2605 82.0380 -158.5516 0.0000 - 140.8086 141.4353 153.4809 172.4327 113.9410 144.6928 153.7721 162.6032 - 116.5861 0.0000 0.0000 127.8010 133.3467 83.6197 0.0000 158.1109 - 118.9647 87.4367 131.7628 119.3602 - -161.7576 -78.2966 -159.1899 -139.0501 -95.9446 163.9767 -136.9162 -162.6798 - -95.4442 0.0000 0.0000 -147.2989 -76.5393 -68.1130 0.0000 52.5912 - -122.6717 -118.3429 -158.4084 -76.8004 - Initial conformation 121 - 103.1547 92.3834 109.5218 121.2950 114.2580 121.3834 120.6631 135.1187 - 95.4327 105.5099 130.2471 101.8875 87.2087 130.6826 90.6193 151.6687 - 152.7773 150.6694 130.4422 116.8089 - -159.0207 -87.2566 -4.0614 -103.6492 -126.8832 -100.2344 50.8330 -163.9678 - -69.8936 124.4871 -124.2030 98.4441 95.1802 104.5691 -19.7762 176.3547 - -15.2222 -162.4222 178.9564 0.0000 - 158.0146 154.5617 159.9022 171.8042 146.2943 149.6397 155.8251 128.7020 - 158.0184 0.0000 0.0000 102.8832 152.0833 139.0849 0.0000 147.8902 - 129.9280 142.5212 127.4740 140.1668 - 11.4684 -13.2942 -161.4611 -163.2641 -97.6645 -173.3572 -138.3332 -74.5910 - -101.8891 0.0000 0.0000 -129.5378 -146.0342 -62.7495 0.0000 -37.0874 - -169.0007 167.4625 -141.0405 -57.8537 - Initial conformation 122 - 95.0596 104.1940 101.9410 146.7918 125.1427 123.1517 138.5590 96.1098 - 94.3000 122.5294 131.0884 137.4896 130.6255 130.9460 113.7438 113.4240 - 123.0180 86.0388 121.0939 93.0824 - -129.2359 26.7456 -0.7509 87.7223 -65.1690 -67.9107 163.4523 -141.5327 - -42.5161 124.6915 104.1129 87.2771 177.4708 -44.7144 117.2463 5.8177 - -13.9266 104.6657 11.8357 0.0000 - 134.5140 151.0946 148.0843 138.6588 144.6106 138.4232 149.0889 141.9692 - 131.0363 0.0000 0.0000 122.3505 96.1519 136.9731 0.0000 124.2990 - 118.5182 98.4543 113.2942 138.1952 - -161.2278 -133.8839 173.2737 -91.6206 -82.8594 -106.1039 -165.2560 -64.9157 - -147.5111 0.0000 0.0000 -144.6659 -71.2414 -78.0519 0.0000 -158.6492 - -129.4433 -105.8686 -120.0485 -105.5007 - Initial conformation 123 - 97.8302 141.9542 108.5695 89.8660 82.6596 151.2609 92.7091 109.5976 - 148.6845 122.6307 98.9801 124.5619 120.2361 127.3463 130.7133 155.7220 - 106.7340 110.8018 130.9554 124.2553 - 130.6201 -10.2732 37.8564 129.8068 -18.9776 -66.1941 -42.9850 34.3001 - -15.1024 168.5412 31.3874 -35.3992 92.5746 -173.2277 117.6819 68.4825 - -23.8629 102.6213 -171.4752 0.0000 - 151.2873 133.0710 136.3234 141.2828 134.7320 105.3686 150.4332 172.1699 - 106.9281 0.0000 0.0000 123.5863 128.6590 125.3275 0.0000 133.6176 - 106.7233 120.5835 124.3856 91.6710 - -98.5105 -52.3447 -169.7091 -65.3076 -124.8952 -73.9544 -119.2978 -86.1424 - -86.3647 0.0000 0.0000 -130.0422 -43.3259 -149.5063 0.0000 -15.5822 - -108.3950 -117.2733 -138.8041 -61.1728 - Initial conformation 124 - 88.9721 92.3123 131.7171 98.8175 134.3433 131.2948 110.9490 102.3594 - 91.6685 133.6724 133.4944 95.8247 121.7334 116.7761 121.5222 142.0984 - 121.4014 88.2813 89.6928 99.8025 - 118.2112 121.0135 -133.9728 18.0407 -138.7061 80.3599 -129.9683 126.0295 - -84.6549 2.2325 114.5151 -14.4097 -78.3869 -149.3645 101.3595 137.6987 - -103.1138 -119.6398 135.8518 0.0000 - 153.7453 171.2531 121.4753 136.4651 146.8496 101.3922 143.3429 172.5531 - 150.5174 0.0000 0.0000 101.7339 135.0926 133.3265 0.0000 145.6220 - 111.4217 94.1264 106.0127 141.4365 - 1.3568 -141.4348 -26.1620 -66.0497 -36.3198 -77.1057 -38.9664 166.0911 - -12.5148 0.0000 0.0000 -126.0757 -61.2124 -97.5513 0.0000 -30.5190 - -109.8894 -106.3883 -126.2281 -110.3840 - Initial conformation 125 - 102.0479 91.4022 124.9276 120.1160 86.2913 137.4010 98.2280 64.9029 - 131.5355 142.7346 133.4398 103.3554 139.8030 157.9657 126.7558 121.6251 - 86.7759 63.5293 110.9610 99.5984 - -171.0812 38.4139 -18.6830 132.1276 -90.2042 -125.6428 43.6594 179.3493 - 176.1243 -170.6708 29.3538 54.1039 46.3698 -92.3121 -80.5353 11.5815 - 60.8508 175.5017 32.6517 0.0000 - 158.1258 138.0402 138.8341 172.7434 155.5492 145.6152 160.9756 129.0629 - 113.5316 0.0000 0.0000 110.9614 115.7203 84.1206 0.0000 133.0442 - 99.1740 107.0646 117.2499 117.8538 - -22.6409 160.3061 -159.6598 -131.8298 122.2745 -26.9909 -20.2841 -169.6244 - -84.8469 0.0000 0.0000 -107.1283 -94.9202 -59.5999 0.0000 -169.8118 - -96.1404 -81.9710 -119.7689 -65.1926 - Initial conformation 126 - 94.5782 156.5987 98.9368 167.6899 118.7082 139.9123 122.9075 89.1842 - 96.4548 105.4743 130.8612 171.0000 117.7645 157.0586 131.1321 129.4436 - 132.2192 68.7258 84.4008 117.4455 - 103.6595 66.7863 -161.2201 46.4093 -98.5274 117.9077 138.4922 -176.4457 - -102.3092 -74.6845 155.9969 28.3803 3.7065 -179.2805 37.2308 32.3950 - 0.0073 143.1528 133.4801 0.0000 - 143.8106 116.3538 114.6371 138.5271 157.7235 105.9508 133.4743 134.6105 - 133.7576 0.0000 0.0000 174.3781 147.5443 79.5480 0.0000 146.3983 - 129.6637 89.4008 102.3078 116.7938 - -140.2513 -22.9021 -97.0073 -59.5392 78.0405 -91.1229 -35.2105 -30.2132 - -117.3689 0.0000 0.0000 17.5842 -80.3536 -56.1602 0.0000 -135.5437 - -144.6180 -91.8581 -100.1713 -49.7400 - Initial conformation 127 - 86.5664 144.7504 106.7021 110.6863 135.6544 119.5383 109.0995 146.7945 - 140.5095 131.0983 136.9575 77.9902 142.5729 94.6112 153.9798 118.8729 - 118.5796 108.7126 171.0000 129.6571 - 147.1216 89.9920 -96.7928 -167.0762 17.2474 100.3926 51.4690 -162.1554 - 98.7283 -72.1328 7.3176 143.8252 -29.6524 87.6284 126.9456 58.8424 - 139.9257 -1.6479 -159.2099 0.0000 - 114.0293 136.6827 131.3606 133.3773 165.7079 156.4377 153.6265 137.1233 - 112.4594 0.0000 0.0000 96.0260 88.3722 123.3176 0.0000 118.6536 - 121.8291 108.8161 154.5768 100.9060 - -81.3041 -75.7410 -26.3217 -81.8393 -137.2393 177.0380 -33.7642 -120.8353 - -91.2657 0.0000 0.0000 -87.1573 -74.0243 -9.1882 0.0000 -101.5667 - -122.4491 -107.0337 50.5198 -56.0321 - Initial conformation 128 - 120.4483 153.2457 125.7666 73.8666 120.6011 144.1490 126.4326 126.5993 - 105.8284 96.7902 135.6128 108.9903 133.6470 130.5101 131.5214 117.2707 - 147.2300 140.5968 102.2620 120.6245 - 109.8680 6.9548 111.3457 138.4532 51.4963 -77.1096 -37.9856 -152.0435 - -123.0720 178.6816 -21.3161 -171.6932 101.4378 -163.5334 -146.9452 -166.5718 - 139.8154 151.7752 16.2730 0.0000 - 134.1875 134.9610 139.0540 158.1285 132.5380 107.1820 142.2248 151.8413 - 134.2478 0.0000 0.0000 99.6975 115.7757 149.7936 0.0000 148.0463 - 119.2048 132.6588 92.2062 128.4801 - -102.1085 -89.0994 -161.9428 -94.9180 -64.1127 -73.7468 -54.4644 -85.8455 - -51.2772 0.0000 0.0000 -120.6378 -56.6196 -133.1085 0.0000 -169.4179 - -158.5418 -159.2231 -105.5245 -114.3215 - Initial conformation 129 - 93.1187 95.4257 156.4386 107.2022 90.5753 126.1395 149.7951 159.2731 - 117.3025 103.5196 171.0000 116.8942 131.4872 126.3502 113.4113 114.4560 - 145.3906 130.6938 124.6956 135.2580 - 108.6798 -57.5725 51.8541 81.3693 4.6806 5.0021 -81.8895 -90.2128 - 117.0673 -51.9473 102.9236 -104.8694 53.8703 147.4462 -0.5916 -171.9006 - -157.5919 -171.2917 114.6304 0.0000 - 139.8368 138.2888 96.1921 127.2320 130.7477 147.3077 126.1883 101.3772 - 107.5349 0.0000 0.0000 122.0842 143.8659 100.7089 0.0000 122.2097 - 120.8945 123.8644 123.4271 98.9473 - -130.7103 -120.0601 -80.1493 -95.3824 7.3890 -17.8245 -97.3444 -75.6742 - -83.9670 0.0000 0.0000 -126.8511 -72.6304 -51.3056 0.0000 -46.8398 - -152.3338 -138.0622 -134.1705 -63.1451 - Initial conformation 130 - 110.6071 98.5118 87.4366 94.0736 109.4966 112.8949 88.5403 143.6459 - 97.8544 111.3036 158.9047 99.6464 132.7108 112.9806 156.9130 122.1187 - 140.8853 90.2244 112.2157 98.2116 - 120.3100 148.3715 110.1894 -166.3275 2.4483 -45.6726 120.2999 -171.4868 - -169.6572 22.1939 65.6988 111.8295 131.3574 -136.8812 87.3838 7.4401 - 22.3290 14.7320 100.3630 0.0000 - 112.1470 147.7201 129.9813 146.1900 149.5768 138.1373 160.9468 158.3640 - 144.2956 0.0000 0.0000 111.2464 143.2341 137.0793 0.0000 139.0162 - 125.6737 105.1633 130.2871 138.4363 - -82.4635 -113.1386 -20.3731 -63.7924 -169.5643 0.6825 -130.3426 -73.8444 - -104.4333 0.0000 0.0000 -106.5752 -72.0451 -105.5369 0.0000 -143.3967 - -145.5578 -132.8501 -135.3398 -80.8110 - Initial conformation 131 - 142.6906 91.8604 98.7927 150.8898 101.0872 81.9333 88.7018 143.3115 - 91.3037 132.2762 132.5000 136.9332 98.2199 98.3576 132.1877 103.9591 - 145.7226 128.8829 107.5321 98.6597 - -145.2673 130.3574 8.5878 -145.4038 140.2626 54.3474 -93.3898 -101.0652 - 128.1523 178.4139 -73.6715 163.9859 107.8034 129.8719 85.2325 -35.0419 - -134.5286 124.0953 -88.7679 0.0000 - 122.0730 178.2946 155.6432 142.5640 121.3709 155.7713 161.7124 144.5287 - 147.0777 0.0000 0.0000 104.2485 139.7487 97.7405 0.0000 140.0787 - 122.8274 110.1873 121.7321 96.5216 - -89.5244 -129.8050 149.2863 -77.4983 -37.7200 110.4812 -158.6975 -108.5830 - -126.7847 0.0000 0.0000 -123.8460 -143.4697 -65.5197 0.0000 -167.3758 - -152.4533 -123.2574 -131.3486 -59.7142 - Initial conformation 132 - 118.5606 105.3587 100.1654 67.2758 136.9172 111.3622 113.8768 121.7519 - 108.1297 102.8773 151.9047 108.4785 112.2579 147.8707 110.8370 147.9642 - 154.1650 97.5825 98.6443 94.2137 - -145.4247 50.0988 75.7023 144.8678 31.2785 13.2709 -119.6524 16.5255 - -175.9125 -163.1988 -66.7857 -113.3115 23.1058 157.7871 59.7780 75.4341 - -7.4040 11.8878 -144.7805 0.0000 - 116.8549 155.9394 145.0823 142.7155 141.0595 146.4770 148.3936 169.3149 - 122.6348 0.0000 0.0000 128.5157 103.7741 92.3278 0.0000 131.8387 - 126.0840 105.8392 103.0514 114.4503 - -104.2423 -57.5862 -13.9107 -77.7144 32.8780 25.4319 -63.6980 151.4612 - -84.3583 0.0000 0.0000 -131.3496 -65.5658 -64.0862 0.0000 155.3945 - -169.4831 -142.0434 -123.1914 -65.6498 - Initial conformation 133 - 120.2816 123.0183 127.7864 88.6638 131.3930 115.5245 96.9581 104.4665 - 104.5780 73.8757 140.5340 120.8763 84.8107 105.8578 109.9612 145.3172 - 94.3189 126.6117 78.6822 113.4950 - 48.0692 -15.9864 136.1268 121.9452 133.9320 72.3915 29.9082 -165.8694 - 98.4007 126.0328 9.5377 113.8328 43.3428 -118.0189 -170.6548 77.9223 - 46.4519 -78.0629 -120.1387 0.0000 - 150.6837 143.9994 144.5908 155.1614 151.7046 147.1624 158.8111 169.7665 - 151.1345 0.0000 0.0000 118.8396 104.3997 106.1954 0.0000 141.3579 - 103.7891 124.4908 96.7133 151.9738 - -9.4490 -109.9209 -31.4331 -51.3157 -140.8058 -147.8203 -22.4150 142.2336 - -28.5358 0.0000 0.0000 -129.0779 -75.1986 -79.7136 0.0000 -126.0665 - -112.5593 -131.7149 -100.7492 -175.2043 - Initial conformation 134 - 100.0534 89.6210 132.7849 162.5182 98.6189 141.0864 91.1985 115.3422 - 96.4900 151.0997 129.2399 144.7009 88.0106 107.4846 144.2604 89.5630 - 139.6027 96.5946 142.0797 119.3866 - 58.3456 71.2860 -24.0446 128.9676 -164.2359 -10.6859 -178.2559 54.3907 - -1.9278 -160.5166 -130.4040 167.8414 -146.4896 -45.6781 110.8630 141.0352 - -179.3381 149.0945 -66.6233 0.0000 - 140.6337 149.0229 109.1184 134.3757 109.3363 130.0586 159.9135 134.9173 - 126.4548 0.0000 0.0000 135.3344 157.5322 129.7825 0.0000 140.7617 - 122.1022 99.2736 123.1864 132.7694 - -150.9101 -131.0781 -92.9591 -97.4562 -87.9399 -107.0104 -97.4923 -0.7465 - -83.9249 0.0000 0.0000 -165.1626 -125.6804 -91.5368 0.0000 162.9852 - -138.3894 -115.5870 -139.9351 -105.3572 - Initial conformation 135 - 94.7902 149.2341 131.5457 157.4970 102.3085 123.1697 87.0169 132.4360 - 144.9576 140.1926 105.8577 103.3228 119.1691 97.8285 147.2149 141.9007 - 80.9957 132.1359 75.8183 151.6000 - -22.1613 -81.1858 -88.8046 -73.8853 73.6039 173.0104 -29.1730 -77.4502 - -129.4233 161.9180 13.1945 153.0487 -114.1629 56.4754 -114.6644 -6.9469 - -134.3643 -149.4137 19.7723 0.0000 - 115.0634 120.5307 102.0069 143.7862 136.4070 152.0769 148.1415 127.1803 - 135.1256 0.0000 0.0000 100.3400 86.8782 154.5797 0.0000 110.9607 - 93.6997 118.8223 94.3173 105.5860 - -67.3988 -102.3503 -104.0729 -81.5519 -137.2604 2.3996 -141.7553 -61.8655 - -32.8706 0.0000 0.0000 -116.5660 -62.1547 -62.4969 0.0000 -152.4205 - -85.6030 -139.0989 -94.9912 -59.6971 - Initial conformation 136 - 97.3295 132.5451 125.1670 67.5954 90.3980 130.9787 161.4552 88.2285 - 90.8172 144.0326 97.2759 107.1703 168.3997 131.0595 93.9861 124.3219 - 125.5931 105.7762 118.6650 110.7110 - -150.6640 -118.7245 97.8481 -163.3773 -32.7670 -158.8428 65.2224 -141.7045 - 144.2341 114.9865 110.3735 145.8184 58.0468 -91.4767 -157.3139 120.5712 - 46.6743 -141.9365 -178.8878 0.0000 - 143.3502 133.8081 124.9004 143.5636 155.0801 124.3464 111.9098 126.0413 - 150.9184 0.0000 0.0000 121.0313 69.5013 122.7920 0.0000 135.1551 - 122.3599 120.8736 123.0810 135.4430 - -111.1800 -35.5330 -23.6120 -95.7463 -145.4677 2.7833 -12.6769 -163.2863 - -2.0138 0.0000 0.0000 -119.1758 -39.2479 -80.3397 0.0000 -42.0032 - -128.2016 -124.9660 -142.0206 -93.7380 - Initial conformation 137 - 105.7737 132.3623 116.6768 133.2391 121.6588 110.7940 134.1410 99.6215 - 120.9953 122.0796 124.2845 107.7820 110.1243 135.9137 111.6445 97.2482 - 139.6031 78.1197 134.9441 102.4120 - 128.5074 -142.2274 -44.8580 -175.4305 -68.5605 -130.1360 -110.4436 68.7716 - 142.1975 -158.4194 -50.8339 -150.8806 -162.1892 106.7570 3.7053 -175.0715 - 137.0221 38.9941 -33.2572 0.0000 - 132.7928 145.6364 141.3960 167.3881 161.2084 98.4216 128.6641 121.8853 - 127.4997 0.0000 0.0000 114.2972 109.5394 90.8295 0.0000 161.8429 - 124.6082 97.5284 124.1907 159.4749 - -123.8246 -56.5537 -31.2729 -45.6532 -132.9158 -82.4464 -80.5093 -157.0187 - -87.7870 0.0000 0.0000 -112.1636 -72.5586 -56.7515 0.0000 0.2990 - -145.9380 -105.2913 -138.3923 -42.0721 - Initial conformation 138 - 129.3389 123.2910 117.5799 131.6278 142.2880 145.2605 125.0906 112.7123 - 98.3636 113.0467 112.9403 128.8960 147.0953 96.9846 103.6252 101.3812 - 108.2773 115.2019 103.6824 117.3488 - 29.3851 -63.4329 -72.5431 -151.1575 165.4374 -130.3942 149.0046 177.7772 - -137.1103 23.8087 104.9532 20.6974 92.3836 -56.1188 89.7978 -93.0037 - -131.5160 -161.0322 175.2245 0.0000 - 147.2516 138.8858 137.0137 143.6762 147.6031 138.1022 166.2362 165.2330 - 124.7234 0.0000 0.0000 116.4575 86.5038 145.6206 0.0000 140.0607 - 102.6352 119.5621 90.3885 138.8195 - -61.7344 -68.6966 -164.0240 -78.0340 -59.6229 -153.5373 -109.0742 -78.8613 - -99.6587 0.0000 0.0000 -124.9841 -66.4727 -33.9494 0.0000 -73.4896 - -108.2748 -128.2270 -117.7765 -93.3259 - Initial conformation 139 - 132.9246 117.9117 98.6322 125.3361 94.6811 146.9226 119.0455 104.0849 - 79.3435 118.7697 152.2392 112.3289 96.5573 137.5380 93.9218 117.2145 - 85.3176 103.0793 111.3487 146.1913 - 155.1076 -94.7672 81.5209 -116.5196 45.2300 -164.7192 -179.2776 65.2949 - -78.0536 -16.8790 -44.5702 97.9928 -134.2440 144.1637 -29.2634 157.6428 - 144.5023 59.1802 -47.4216 0.0000 - 125.9069 112.7425 148.8336 163.6504 161.5548 90.8101 164.8263 152.1608 - 152.7719 0.0000 0.0000 120.8008 98.3374 148.7761 0.0000 152.2432 - 110.8913 125.7200 125.7947 118.7792 - -90.2510 -34.6503 -152.6871 -103.8359 -66.9120 -50.7739 -111.6733 8.3606 - -99.8785 0.0000 0.0000 -127.4038 -70.7320 -138.3763 0.0000 -78.9325 - -137.0318 -124.0536 -121.4874 -121.0978 - Initial conformation 140 - 141.5515 97.2043 131.4590 128.2014 116.6090 98.3746 93.7537 138.6029 - 85.6823 116.1055 140.9067 89.1493 139.1763 118.0341 129.2742 117.8301 - 90.9307 86.6204 81.8915 90.1410 - -55.2665 22.9458 -137.2802 9.2814 -133.1582 114.9585 11.3935 60.1083 - 116.0654 -87.2713 74.8778 -92.5743 -50.2795 -44.1654 -70.6496 -167.5915 - 32.6426 -143.0448 -8.9480 0.0000 - 120.8663 162.3540 144.4111 164.7004 148.6539 134.9329 156.1991 152.4760 - 130.7804 0.0000 0.0000 94.4612 98.1986 140.2221 0.0000 138.7396 - 103.1231 109.6432 109.3632 148.1282 - -71.7711 158.5615 165.0043 -106.5916 -169.4822 -150.7265 -18.0043 -60.6380 - -84.9913 0.0000 0.0000 -68.2113 -73.5996 177.2332 0.0000 -135.5552 - -129.2893 -117.0731 -116.1659 -120.1490 - Initial conformation 141 - 98.2078 136.9932 104.2272 136.2919 137.3048 89.0487 97.5085 101.9580 - 90.7159 125.8590 77.5112 141.9181 128.3105 117.6348 120.4080 139.6079 - 158.1732 98.1481 97.2655 94.4783 - 57.2273 -91.7161 -92.0462 16.1426 -88.9924 100.3287 -107.7087 177.4392 - -178.5989 171.7400 56.9686 125.9690 58.0818 -71.3337 127.3677 -64.3955 - -179.9900 45.6065 -146.9383 0.0000 - 154.1160 120.1580 135.3764 162.9781 148.5449 143.9191 167.9388 147.4706 - 135.9307 0.0000 0.0000 123.4436 141.2636 117.4628 0.0000 156.0922 - 137.6280 91.8278 98.6594 117.9977 - 1.1336 -79.4915 -138.6512 -87.2701 112.0296 -30.6174 -13.4666 -95.5997 - -141.3809 0.0000 0.0000 -146.6946 -61.3848 -73.4933 0.0000 -18.8642 - 169.5139 -121.4343 -93.4341 -67.5917 - Initial conformation 142 - 99.2777 132.8586 117.8456 122.8230 123.9593 127.5271 100.3576 117.7717 - 100.6216 122.5175 95.2254 162.5465 95.7236 87.3947 138.4521 122.9856 - 148.3897 150.1832 68.0103 159.4926 - -96.3779 69.1396 55.2606 -83.0222 -179.4373 49.5719 -157.2322 -31.0837 - -95.4726 66.0441 -35.5405 173.6875 -52.2926 -130.8976 -148.2833 -139.7086 - 102.7407 154.6038 -111.2045 0.0000 - 145.0968 146.3670 136.5740 169.7506 148.8440 148.6601 153.9733 166.1942 - 130.1465 0.0000 0.0000 135.1703 153.5549 101.3110 0.0000 174.6558 - 138.6702 121.0824 83.8073 90.2691 - -142.2462 -83.8887 -171.9177 -51.7702 140.5811 -23.1905 -16.2177 -95.5216 - -120.7971 0.0000 0.0000 147.1499 -61.6168 -61.2550 0.0000 112.1994 - -176.4660 -157.2254 -103.6818 -47.1861 - Initial conformation 143 - 103.0203 71.0511 127.2261 158.3701 68.4079 89.7846 144.0963 110.1275 - 121.3544 165.0724 134.6463 85.5968 118.8771 144.2192 86.5002 124.6596 - 130.0145 130.2779 116.1548 85.4655 - -2.5672 64.7226 124.9868 10.6043 138.2328 -143.5214 -72.2407 -170.8026 - -152.8182 125.1895 135.2624 113.5838 125.1612 144.4957 98.9180 25.6903 - -111.7543 53.2855 -66.3437 0.0000 - 108.4758 160.4475 133.4787 158.1818 157.8616 151.4456 142.4374 171.5489 - 109.5531 0.0000 0.0000 97.5340 137.1392 96.0842 0.0000 133.9507 - 124.0063 121.6388 114.7875 105.6027 - -81.7301 -165.2550 -166.0010 -97.4503 143.9946 13.0120 -117.5558 -88.6582 - -95.4378 0.0000 0.0000 -111.0142 -66.7149 -50.1662 0.0000 -102.8342 - -143.7509 -135.7808 -113.9367 -68.8731 - Initial conformation 144 - 134.7209 106.3032 95.4004 144.4339 93.9667 113.1914 101.6697 87.8409 - 164.9617 122.5930 115.0245 124.3607 113.8072 97.7461 116.4880 160.4018 - 171.0000 126.2687 120.5678 138.1590 - 29.2232 -70.9075 133.4754 34.9484 102.5866 -5.9002 -96.9863 -8.1071 - 97.0547 145.3343 134.4665 -0.3705 16.0021 -177.8080 -99.0507 -111.8278 - -87.6364 68.4768 84.8061 0.0000 - 129.6453 154.0685 136.2459 170.7148 162.9989 151.1835 146.2940 118.6367 - 101.3482 0.0000 0.0000 126.8010 92.4907 139.8771 0.0000 97.6479 - 148.2944 122.4978 122.8723 154.2708 - -124.1643 -161.7217 -12.8551 -159.1930 -161.1042 160.9567 -37.5112 -34.8993 - -97.8842 0.0000 0.0000 -137.7306 -67.0233 -43.5942 0.0000 17.1285 - 48.9232 -143.4041 -134.3068 -119.5388 - Initial conformation 145 - 104.6913 99.6976 139.1838 127.8769 103.7572 141.2195 134.6370 88.0971 - 97.1642 133.8259 105.1440 171.0000 132.6251 81.1092 141.4535 141.2126 - 129.9347 137.9208 131.4968 141.6597 - -21.8509 133.8881 123.0547 -37.0863 167.2467 -28.5444 150.6441 174.8072 - -105.6132 3.6449 -48.7116 36.6875 73.5791 115.2805 95.6627 29.0223 - -40.7521 13.8803 -110.6416 0.0000 - 146.6592 130.9122 136.2183 167.8261 156.4264 131.2384 155.6586 170.7130 - 125.9819 0.0000 0.0000 164.1042 132.5678 131.1560 0.0000 112.9328 - 130.8354 127.1777 121.7941 87.0559 - -82.8979 -92.1447 -129.0697 -103.7984 -157.2222 -91.3936 -68.3487 -66.7090 - -101.6558 0.0000 0.0000 36.8529 -100.5804 -94.4650 0.0000 -104.3199 - -148.6763 -147.5490 -133.7364 -74.4654 - Initial conformation 146 - 73.0401 100.2606 121.4205 141.6834 89.9941 131.2021 85.2416 112.2175 - 110.8036 139.1964 89.2397 121.8330 92.2571 121.4663 124.9318 142.0076 - 155.6561 71.0270 156.4369 100.2057 - -85.0032 53.3548 31.5926 -117.9532 -56.6325 -53.4702 -75.2089 -110.8795 - 78.5680 -104.3153 -77.4374 68.8271 84.0037 -171.0835 0.4844 148.8216 - -135.7712 -83.1927 -4.1714 0.0000 - 159.3395 151.0163 135.6991 174.2083 135.6810 125.7552 163.2787 162.1867 - 141.0221 0.0000 0.0000 116.3729 100.1206 88.5216 0.0000 118.1732 - 131.6272 104.3423 132.1303 93.2985 - 158.3152 -123.8772 -4.6039 -77.2724 -82.4699 -96.6347 -108.9192 -107.7608 - -30.3652 0.0000 0.0000 -125.4007 -57.0305 -66.6698 0.0000 29.5926 - 176.9708 -105.7403 174.0898 -60.7969 - Initial conformation 147 - 115.0739 119.4723 111.8502 108.1207 125.6923 103.5156 130.9036 92.9071 - 134.6549 130.4525 107.5796 71.9615 88.4685 88.7163 117.9345 129.1154 - 106.2362 127.2799 77.9887 95.3248 - -70.8758 16.0589 -18.0058 -84.0267 -16.7161 98.4859 61.5197 12.3646 - -105.5468 154.8334 70.7806 100.6446 166.8060 147.3803 -48.9713 87.8187 - 50.7253 125.8704 -49.4407 0.0000 - 163.7985 135.5411 140.4116 134.2589 167.2507 102.6265 154.8915 139.9330 - 157.2377 0.0000 0.0000 101.3727 110.9387 98.7036 0.0000 113.5828 - 119.4225 120.3230 101.5045 100.4030 - -8.0016 -96.4961 -157.2958 -87.8364 155.5807 -17.5247 -150.0721 -154.7991 - -14.2533 0.0000 0.0000 -111.6827 -74.7110 -64.9098 0.0000 25.4332 - -113.7339 -133.3841 -89.3857 -75.2076 - Initial conformation 148 - 99.9417 113.5693 120.4660 129.0256 120.9713 132.7651 103.1209 97.6648 - 112.3059 136.1297 127.3089 130.1877 146.9389 112.5248 138.5658 86.9431 - 122.2487 111.7767 123.4329 126.2077 - 65.6838 -173.5610 9.0021 -140.1267 95.3825 71.1340 80.2499 141.7488 - -157.8106 -133.1639 179.4264 -64.9089 45.6994 116.0800 130.7814 -107.7018 - -149.1810 94.3498 -0.5915 0.0000 - 145.7640 139.8814 139.8221 172.0409 156.1710 112.5313 159.3894 151.4257 - 150.7292 0.0000 0.0000 125.4157 94.2231 137.8203 0.0000 147.1681 - 121.4597 128.2292 125.8403 138.6575 - -10.9794 -155.9051 -29.0164 -88.2897 -22.5477 -118.9538 -42.6075 -100.8340 - 7.1461 0.0000 0.0000 -131.9963 -22.7067 -46.4986 0.0000 -178.8333 - -130.2569 -130.6788 -135.5508 -92.1476 - Initial conformation 149 - 132.7354 112.7677 141.3197 86.0110 92.2613 109.2826 76.0988 90.1263 - 128.8557 127.8354 111.1604 118.8876 126.4948 135.3405 103.2446 140.1962 - 126.9734 92.1271 129.1538 92.2509 - -4.6182 -2.1171 153.5664 -143.9965 -13.7988 -53.4211 158.6554 -121.2621 - 31.3163 88.7901 122.4590 -127.0664 136.4924 -163.8010 49.2296 133.7159 - -36.1926 169.4892 -110.4614 0.0000 - 111.1054 150.3620 109.0450 139.9238 156.8164 139.2557 159.3615 178.5827 - 154.5662 0.0000 0.0000 129.1685 102.6175 128.9647 0.0000 152.0753 - 115.1349 106.9019 126.2448 96.1763 - -94.4053 -92.2115 -88.2352 -71.8880 -114.9520 158.6899 -131.1535 -34.6857 - -21.8960 0.0000 0.0000 -137.1413 -67.0106 -65.5386 0.0000 -76.0268 - -127.8874 -105.0504 -146.0425 -61.9205 - Initial conformation 150 - 126.1062 101.1017 123.0774 91.8656 93.1828 100.1319 114.2139 134.8785 - 87.3164 125.6271 141.3512 74.3281 93.7072 104.4286 140.9033 87.8327 - 107.8037 94.1723 96.6595 143.4206 - 114.5053 -123.8824 78.0562 93.0242 -111.0363 -25.4288 -78.8089 -111.3430 - 106.9080 -138.7871 -61.2370 -54.0238 -4.6385 -110.8310 -174.9646 -53.9417 - -161.7787 16.1991 111.8429 0.0000 - 118.8454 154.3791 147.7768 140.1802 138.8071 147.3680 157.8704 163.1010 - 148.8590 0.0000 0.0000 102.9525 144.0277 102.4949 0.0000 140.8506 - 103.4425 118.3092 103.4189 132.6216 - -83.7592 -40.1095 7.1690 -81.7247 -147.8030 -12.5825 -110.7102 -149.2745 - -111.2288 0.0000 0.0000 -100.1050 -40.2374 -82.5690 0.0000 -85.6571 - -133.1594 -108.8219 -118.8188 -124.1786 - Initial conformation 151 - 116.6896 101.3874 158.0149 152.3577 142.7077 118.4046 121.6708 92.7501 - 91.1411 152.7691 127.9133 101.5071 106.9385 114.9716 120.5410 154.4571 - 113.5162 88.9060 101.4444 116.3964 - 130.1246 -88.2604 0.4933 -150.0973 140.0804 -36.7694 10.8019 100.0166 - 61.6547 -66.4702 3.4639 -77.5084 -25.1376 125.2770 -35.0985 49.3319 - -26.0111 86.9705 17.9861 0.0000 - 104.6209 146.3434 102.5666 137.1051 178.7580 141.3394 138.5105 141.1239 - 162.3477 0.0000 0.0000 102.7214 141.0557 150.2314 0.0000 103.5111 - 115.6555 101.5047 107.1502 103.7810 - -79.6693 -97.9277 -79.5209 -91.8573 -120.1799 29.7823 -114.1979 -94.8565 - -27.7476 0.0000 0.0000 -134.5059 -48.0951 -158.6360 0.0000 57.6103 - -109.1133 -117.8503 -128.9173 -64.6218 - Initial conformation 152 - 110.8738 104.2194 111.0284 88.8793 129.5300 132.1939 122.2696 104.0456 - 101.8086 96.6775 128.5021 112.0723 108.5063 135.6158 111.9917 110.8587 - 121.2550 85.9327 128.7930 110.3934 - -1.5411 -164.7941 89.0810 -175.9852 170.5303 -126.4090 -50.4281 -35.8757 - -28.5749 -73.2357 -104.0108 111.3575 153.0586 -55.4308 -151.8046 -26.5873 - -65.9024 4.7813 127.1449 0.0000 - 146.1263 137.3138 156.2288 155.6931 134.6822 97.8189 138.9964 163.4943 - 126.3940 0.0000 0.0000 126.7852 129.2350 136.0679 0.0000 165.7371 - 116.9854 90.2337 119.3660 137.0911 - -134.2926 -155.1106 -159.8166 -65.2972 -138.1830 -90.0135 -145.1199 141.3383 - -66.3866 0.0000 0.0000 -125.9270 -76.2473 -104.7139 0.0000 71.9274 - -125.7182 -114.1405 -138.2508 -101.3659 - Initial conformation 153 - 86.0624 88.4017 109.8068 145.1443 139.2867 117.6618 111.2402 145.4254 - 129.9648 118.6846 110.8914 106.5827 95.9808 132.5756 159.8195 143.2903 - 165.3613 153.7211 97.7241 103.6512 - -101.6188 -114.4671 137.3118 35.2196 -162.0338 -90.1889 87.5125 175.0651 - 158.0771 118.7961 144.1025 -123.7575 66.1931 88.0284 -88.8024 48.5638 - 7.9658 -29.0852 146.5617 0.0000 - 141.4170 158.3276 151.8310 152.6941 134.8041 151.6682 147.7105 155.6215 - 152.7501 0.0000 0.0000 112.0009 96.5739 141.1403 0.0000 132.1046 - 144.6128 133.8467 102.2983 152.0741 - -159.3172 -131.3023 -169.2783 -88.3031 -73.6203 -140.6112 -134.6537 -144.4489 - -8.6679 0.0000 0.0000 -134.0982 -79.9325 -72.0405 0.0000 -94.4584 - 117.5537 175.4113 -122.3980 -121.5781 - Initial conformation 154 - 128.4546 119.2644 128.0319 144.7467 91.8018 124.0999 104.7949 119.9938 - 135.1650 140.4162 137.0821 116.8240 100.2697 94.4681 122.9737 115.0284 - 131.9750 124.8750 101.5886 123.3239 - -30.9120 30.5726 -136.9997 109.6581 91.6272 163.2020 134.5237 130.0882 - -112.9729 24.3801 -71.2167 -29.7188 -88.1845 33.8038 163.2752 6.8462 - 47.2093 85.2564 18.1201 0.0000 - 157.0357 154.2774 118.4654 135.2068 129.8379 144.4878 159.1527 139.1390 - 119.6821 0.0000 0.0000 131.7887 137.2994 138.4343 0.0000 137.9866 - 130.5353 118.6793 119.0905 97.6779 - -1.7662 -130.8478 -25.6985 -63.1943 -65.2551 174.2421 -31.6220 -98.9539 - -75.8951 0.0000 0.0000 -137.8224 -76.1794 -30.3887 0.0000 -2.3704 - -155.8108 -136.8978 -116.8325 -62.4375 - Initial conformation 155 - 115.3873 117.8056 152.3708 97.5400 118.0783 171.0000 110.6528 111.7490 - 88.0249 119.9604 108.7747 102.5598 98.7294 132.8400 129.5265 112.0221 - 126.0687 121.8544 117.2126 136.3924 - 46.8419 -95.5639 15.1975 179.3121 145.1974 -88.4616 158.5464 65.5994 - -12.7713 -117.9903 59.0708 -7.3204 179.5273 -43.6998 -35.8992 -141.1207 - -104.1740 -62.8072 -105.3510 0.0000 - 153.2203 126.0839 94.5073 166.8705 148.4822 39.9831 144.3899 146.2986 - 97.7704 0.0000 0.0000 102.1950 153.6021 95.6041 0.0000 147.5178 - 124.7697 112.9986 121.6217 146.2460 - 5.8674 -33.7053 -64.3288 -105.0005 -66.9730 -29.5358 -167.2890 -10.2756 - -85.8940 0.0000 0.0000 -103.6365 -107.0331 -61.0157 0.0000 -128.7479 - -143.1940 -110.6014 -132.6814 6.1035 - Initial conformation 156 - 102.0655 83.8859 126.1794 97.6005 140.5063 95.3673 148.2440 106.1265 - 109.1025 130.8896 97.7394 140.6538 87.9967 135.8035 117.9949 120.3024 - 89.8066 55.3688 89.0830 133.6442 - 51.6732 -91.0080 106.8882 90.9418 132.0421 44.8973 -169.1225 -28.6296 - -22.5242 -11.5005 171.5421 -138.3831 -133.4087 13.8216 113.5389 -26.2306 - -26.4237 -165.3626 -31.5287 0.0000 - 118.2555 145.8018 122.4508 142.0355 142.3677 154.4545 136.3899 155.9457 - 132.6069 0.0000 0.0000 128.0262 100.7588 100.8717 0.0000 139.8410 - 101.4258 114.8738 88.2214 128.1565 - -87.9712 -102.8656 -119.9716 -81.2792 -76.6345 -8.5469 -66.7140 -130.7728 - -94.2285 0.0000 0.0000 -155.3599 -72.2118 -61.3968 0.0000 141.9101 - -103.8135 -88.9586 -111.1823 -168.4310 - Initial conformation 157 - 96.6929 171.0000 118.7560 122.0782 119.6577 85.9865 113.8223 105.5608 - 93.7824 121.9615 114.5264 124.2870 125.2845 93.7764 97.0199 118.9010 - 83.6050 135.8486 98.1043 125.7175 - -153.7779 38.1738 34.0688 142.3941 -47.7167 -111.2021 -83.9041 -72.8468 - -149.3915 -122.3009 49.4875 93.7754 -88.4054 -99.7922 -95.6234 -105.0668 - 161.1527 130.6272 -50.0481 0.0000 - 152.3313 48.8793 144.4779 156.7407 127.4924 144.7519 134.4907 151.1529 - 154.6233 0.0000 0.0000 125.2584 156.5518 134.7967 0.0000 158.3119 - 93.3977 143.0910 99.5350 141.9071 - -16.0455 83.0651 -160.0838 -140.6638 -179.6994 9.5777 -96.4820 -72.2064 - -15.3899 0.0000 0.0000 -136.1060 -71.6378 -114.8846 0.0000 -9.1125 - -86.3317 -167.0831 -121.1673 -120.9788 - Initial conformation 158 - 107.5153 137.4669 104.8671 156.5361 137.5800 106.3826 114.0235 126.2131 - 127.5679 108.1960 129.2499 108.5959 109.7092 126.6127 98.0022 112.6657 - 112.9450 90.3680 143.1034 107.4876 - -85.6781 141.1489 7.9092 61.4200 69.2145 -87.6316 156.0641 -12.3566 - 16.1384 -58.9002 -23.2684 70.4355 -148.0489 -17.6809 173.4134 -168.6078 - 27.1853 -43.7571 -50.8099 0.0000 - 149.4720 130.3526 122.8299 143.6826 147.5258 159.0683 155.1861 137.2989 - 119.3085 0.0000 0.0000 123.4656 133.6755 137.2437 0.0000 132.5577 - 113.6763 96.4781 128.5691 134.4017 - -49.3235 -112.2035 -92.3374 -95.5888 -114.9883 173.0119 -24.8576 -159.4538 - -87.2097 0.0000 0.0000 -124.1492 -37.7971 -54.4717 0.0000 -20.3552 - -108.0100 -109.4222 -158.4467 -65.0926 - Initial conformation 159 - 100.4867 155.9299 118.7228 88.8838 84.0210 127.6614 127.4610 91.8729 - 98.7833 128.5458 136.4918 130.0895 102.8319 130.9273 121.4333 143.9136 - 116.2590 132.4014 138.4215 154.4278 - -171.2215 107.5878 43.0438 -123.2212 -52.4143 -2.8801 -1.0939 118.7649 - -14.0702 168.2629 -43.7218 141.5660 -22.6792 -80.8551 -141.9543 -144.5387 - -73.8171 9.2643 -99.0884 0.0000 - 152.7022 127.8647 127.2777 150.1401 151.6217 103.7499 138.7161 135.2001 - 130.7533 0.0000 0.0000 126.8631 130.9502 84.7079 0.0000 128.9477 - 114.2588 131.0122 123.6501 87.8958 - -148.5048 -58.3138 -140.0970 -84.7589 -173.8097 -67.1573 -60.2942 -44.8186 - -76.1955 0.0000 0.0000 -134.0530 -98.1380 -69.3551 0.0000 -79.9163 - -110.7328 -158.6151 -137.6032 -51.3979 - Initial conformation 160 - 106.4755 114.9034 104.2305 155.3682 88.0280 103.5774 145.6411 136.1631 - 112.0377 110.2006 114.2585 115.1686 117.9522 111.6008 169.4289 94.8672 - 126.3123 164.0118 109.7804 109.1263 - -1.7369 -45.0659 -127.4598 9.8185 -44.5553 -143.9769 89.0306 93.1090 - 137.3540 35.6060 125.9837 101.5702 103.6260 -51.4505 -130.4679 -3.5684 - 11.3243 34.5069 78.1745 0.0000 - 143.8568 144.7985 144.9708 131.3444 153.3598 129.0797 131.9309 167.4606 - 126.6638 0.0000 0.0000 116.3851 106.6816 104.9037 0.0000 130.9948 - 105.6117 142.4580 118.3615 104.6841 - -128.9759 -48.9166 -155.2580 -82.0445 177.9495 -29.1292 -64.7217 -78.7287 - -97.7232 0.0000 0.0000 -120.9865 -71.8676 -67.4380 0.0000 178.2611 - -113.7761 124.9006 -119.0455 -69.7004 - Initial conformation 161 - 112.0650 127.9241 102.5595 117.7417 131.9714 121.4153 107.1769 113.0640 - 98.2230 120.5302 116.1930 160.4909 154.3825 106.5596 105.9360 114.9968 - 114.8505 164.6179 126.6026 116.3884 - -19.4166 103.3441 47.3233 -55.8167 -41.9098 -72.5955 -149.6094 22.8455 - -161.9637 -81.9934 -141.9373 -128.9047 169.8277 174.7192 -138.8734 85.3068 - 143.5213 7.5665 5.6651 0.0000 - 131.6549 125.0233 118.0811 150.2731 162.0424 105.7831 147.7644 147.7706 - 137.5786 0.0000 0.0000 137.1527 75.5442 136.4159 0.0000 148.5693 - 122.0527 148.0052 126.0579 139.1788 - -113.2528 -94.2387 -30.0089 -21.0721 -24.0310 -110.7439 -24.0309 -87.9319 - -113.3804 0.0000 0.0000 150.0866 -60.3529 -124.6926 0.0000 -54.2122 - -125.2067 121.3564 -136.9419 -30.0491 - Initial conformation 162 - 144.0119 94.5411 131.8663 83.5273 94.0449 151.4253 95.2584 143.6413 - 119.7072 104.0521 112.2647 71.4993 91.5872 87.2969 112.0701 101.3019 - 134.2776 131.9315 131.2590 90.6850 - 106.2989 -113.4171 73.8184 -159.0445 15.3765 75.5836 -126.5882 -42.2497 - 78.6560 85.8792 -153.4683 109.7071 160.2302 -6.8027 98.5587 -153.3460 - -149.7334 -12.0067 -139.8174 0.0000 - 99.4606 170.9898 120.3067 125.7435 121.2139 99.4239 151.6947 104.9117 - 154.6467 0.0000 0.0000 98.7383 94.2225 98.7554 0.0000 142.0128 - 120.9765 120.2503 112.8293 101.4250 - -86.3631 -128.2021 -145.3343 -76.9715 -56.8608 -79.4935 -13.5486 -106.0885 - 16.0850 0.0000 0.0000 -94.8731 -69.0316 -80.1799 0.0000 -84.1037 - -140.4835 -130.6257 -131.8872 -70.2109 - Initial conformation 163 - 99.1960 95.8040 110.6839 124.5779 120.6205 132.9997 96.6857 119.4414 - 144.8414 104.4556 111.2994 103.0670 126.5505 96.2921 119.5180 124.9103 - 106.6914 109.9469 105.3932 106.6982 - -24.2718 -38.2635 -175.8225 -1.9995 159.7014 -137.2788 123.8522 40.8066 - 157.7455 108.1714 -91.8828 -112.0685 48.8461 -45.9017 -35.4988 -64.2260 - 29.6486 162.4921 30.1499 0.0000 - 132.8673 169.3258 109.4415 166.9352 156.4513 98.3713 157.9484 156.6964 - 112.7376 0.0000 0.0000 101.0827 136.4349 140.2869 0.0000 133.7953 - 120.3197 120.8191 100.2837 102.6335 - -128.3228 -174.1864 -112.0867 -150.0433 -27.8626 -111.3801 -167.9343 31.3349 - -84.7135 0.0000 0.0000 -130.3707 -0.2916 -26.3895 0.0000 -79.1100 - -116.4063 -114.1622 -114.9095 -79.2413 - Initial conformation 164 - 88.5611 119.4003 129.0312 119.9641 125.1690 114.6911 125.2883 116.0437 - 73.5744 116.9642 133.1909 143.4823 124.8262 97.0907 122.1469 117.9763 - 88.8831 107.0630 76.2620 106.6304 - 172.0248 -88.6356 -92.9660 96.6657 173.6917 -14.5007 -51.8269 6.3633 - 145.5030 57.5557 23.7662 -93.0793 -89.3008 77.0436 -31.1609 156.8328 - -120.1317 35.4033 117.9947 0.0000 - 150.9883 132.2297 134.6602 166.0338 172.8589 105.6643 151.4567 137.6746 - 118.7118 0.0000 0.0000 134.5237 123.3401 103.2840 0.0000 134.8405 - 97.0591 115.9764 94.0016 149.2058 - -149.9388 -80.6495 -14.5134 176.6909 -178.5297 -28.2135 -146.7776 126.2885 - -90.3263 0.0000 0.0000 -170.1189 -87.3593 -65.7701 0.0000 -61.5817 - -93.6158 -124.5639 -121.4879 -28.8260 - Initial conformation 165 - 102.1061 98.3936 138.8652 140.0047 92.5018 114.6435 129.0190 118.4321 - 134.9865 152.3831 109.0004 76.1419 125.9495 138.0181 94.3993 134.9364 - 139.0918 115.2305 120.7865 92.9628 - 148.7944 155.8304 85.9270 41.1148 -37.3503 -169.2632 39.9145 -6.0858 - 108.4520 -1.9925 -34.7690 -97.8245 105.1780 -109.6163 8.6801 8.8813 - -74.9409 43.4712 -4.8211 0.0000 - 137.2063 163.3875 104.7733 138.6169 113.9256 162.3856 148.9582 146.5668 - 124.7147 0.0000 0.0000 104.5981 125.2864 101.3146 0.0000 140.1951 - 123.1886 121.4926 125.7865 139.9434 - -113.2811 -94.7074 -65.6729 -83.0870 -73.2519 -96.1217 -120.6684 -161.7867 - -72.1873 0.0000 0.0000 -115.3356 -31.7661 -67.4639 0.0000 -140.9919 - -149.6836 -128.8761 -139.2504 -98.8586 - Initial conformation 166 - 109.8719 131.4838 104.4437 156.7400 155.1942 121.3833 125.3188 106.1842 - 122.6573 128.4264 125.3763 113.2461 104.3366 94.1929 113.9909 81.0625 - 99.8436 128.8283 115.7558 150.0232 - -165.0067 111.6319 170.9311 -91.7426 9.5376 -56.8894 152.0534 -59.5961 - -123.1939 -157.2936 -55.7100 -137.6605 96.5867 -127.4934 5.9513 148.1520 - -103.1418 -169.1366 70.8464 0.0000 - 151.0797 143.8898 148.0425 138.1339 178.0131 147.6844 147.8112 145.9634 - 110.5135 0.0000 0.0000 113.7349 136.2011 142.1545 0.0000 145.0200 - 114.3812 137.0732 123.1097 86.1854 - -115.6315 -141.5311 176.0730 -69.9132 -66.2087 -177.0741 -87.8898 175.1871 - -94.0723 0.0000 0.0000 -119.8470 -36.5042 -72.4407 0.0000 131.9178 - -113.6663 -162.3037 -130.5773 -59.8950 - Initial conformation 167 - 110.8942 95.5648 127.7530 114.5597 94.3774 101.6873 115.5387 106.0088 - 110.0664 123.2310 132.9112 122.6642 106.2155 95.9936 132.6292 125.5713 - 122.0432 110.8493 116.1150 145.9882 - -25.1302 -35.8126 38.3470 64.8093 -178.2211 167.4057 -23.8997 127.6612 - 15.8590 111.3268 158.1884 -95.5329 -15.5038 95.6651 -72.4383 117.0499 - 137.9904 -85.9027 -96.5205 0.0000 - 166.1374 154.2689 138.8547 142.1224 142.9422 159.5449 149.2621 167.4667 - 123.9815 0.0000 0.0000 116.8136 116.6731 136.9990 0.0000 161.8607 - 123.4312 119.5529 118.1518 113.3764 - -30.7038 -122.3046 -115.1040 -96.4820 -107.9307 119.5572 -8.7652 -32.6206 - -122.2525 0.0000 0.0000 -122.7533 -70.2626 -153.7276 0.0000 104.4696 - -135.3160 -125.2098 -122.5230 -61.2790 - Initial conformation 168 - 94.0872 114.0124 144.9243 137.1857 131.2075 100.5685 129.2059 132.7649 - 91.2395 132.1921 149.0793 104.9479 118.8870 99.2442 116.3035 115.5422 - 156.0857 81.2425 127.2564 101.1314 - 58.3295 118.9990 124.2634 -12.7850 -123.3889 14.9413 -114.0910 -28.0273 - -61.0316 -30.4230 -65.5945 174.6488 -107.8786 -65.6997 -84.0323 92.6588 - -111.5912 -147.7341 -173.7320 0.0000 - 144.8032 136.7513 128.8229 166.2606 164.8406 147.3266 136.5655 124.4367 - 139.4862 0.0000 0.0000 109.9105 140.8081 103.0434 0.0000 144.0218 - 131.4364 95.1110 117.5573 125.8340 - -140.6218 -133.8620 -12.0137 -127.4074 -121.6972 147.0247 -47.5208 -107.9855 - -101.7741 0.0000 0.0000 -126.1291 -77.6005 -72.0155 0.0000 -139.8641 - 172.5865 -104.0796 -135.3310 -37.3326 - Initial conformation 169 - 130.9207 140.4653 103.6972 84.0944 171.0000 95.4932 123.7608 107.5549 - 101.1639 99.5457 125.8374 137.6488 142.1434 145.7583 107.0715 130.0113 - 86.2162 142.8737 105.8494 138.7259 - 24.4021 169.3525 174.3487 -39.4834 -52.6363 -92.8783 22.4576 -157.8407 - 97.9856 -72.1555 -42.7942 53.6324 17.3162 94.5059 88.0723 -72.5536 - -19.6182 -145.7362 166.3945 0.0000 - 118.7972 132.6866 143.6757 145.5224 178.0254 151.2679 148.8063 161.4389 - 161.2553 0.0000 0.0000 119.6714 119.3062 89.4575 0.0000 143.2475 - 99.6413 124.6812 117.8930 144.9425 - -89.8358 -135.9022 -5.8983 -70.6988 106.4500 -160.0986 -18.6403 164.3334 - 12.3908 0.0000 0.0000 -130.9112 -110.0515 -56.2035 0.0000 -74.0633 - -126.8524 -155.1952 -116.1802 -73.4776 - Initial conformation 170 - 125.1979 134.1359 116.7056 89.2188 109.9570 136.4003 134.1801 141.3416 - 125.1510 94.3139 120.1024 158.1908 108.1228 133.3553 95.9723 150.1853 - 112.8342 81.8318 99.9944 91.1253 - 111.2307 -106.5883 -5.9253 156.6592 4.5878 -73.1271 -47.4349 31.4250 - 152.2539 -37.0808 -67.0839 -32.2907 -91.2859 160.9620 139.3178 -163.9458 - 172.0711 119.3053 -4.4162 0.0000 - 159.5128 142.0836 146.9748 138.2874 162.0522 138.8959 150.2509 159.7812 - 154.3144 0.0000 0.0000 144.5249 147.8872 144.7793 0.0000 120.3589 - 123.5119 102.6990 101.0006 109.4062 - -7.3249 -128.3388 -148.6547 -80.6416 145.7927 -113.9880 -106.7894 8.5922 - 8.4797 0.0000 0.0000 150.0341 -126.5831 -39.3808 0.0000 -78.3444 - -131.3885 -111.0808 -95.4031 -62.7115 - Initial conformation 171 - 100.4146 127.4477 128.3318 101.8557 148.8524 118.0577 126.5079 145.5844 - 127.0772 87.4245 144.4010 118.0521 79.5796 106.4616 128.9086 91.6822 - 81.5614 111.9739 165.3072 114.0806 - -34.2531 105.7059 97.7859 -133.6814 -142.5265 -34.5361 18.5202 122.4862 - -42.5891 110.6740 -8.5294 -29.9338 -108.1199 10.8103 -91.6363 -12.5747 - -53.3825 -165.3781 171.8700 0.0000 - 135.0293 155.4245 148.8443 135.6590 154.1574 128.2520 130.6922 120.9949 - 153.8030 0.0000 0.0000 115.9689 113.0257 153.3859 0.0000 144.0674 - 92.7903 130.8794 143.5187 147.7377 - -98.6742 -42.8440 169.2146 -76.3059 -12.7951 178.7206 -88.8257 -70.5782 - 0.9446 0.0000 0.0000 -123.0652 -66.7811 -74.2963 0.0000 35.8012 - -107.5493 -136.4137 123.7921 -58.4427 - Initial conformation 172 - 92.1687 79.0387 131.8670 125.1417 92.7618 140.6656 126.8108 119.5508 - 92.5028 122.1553 101.3907 110.0431 96.7434 105.1180 128.9285 74.3409 - 74.6631 145.4117 102.2279 99.0601 - 155.0024 -154.5504 28.8583 84.4167 168.3753 -10.1772 -52.9148 3.5760 - 171.3503 92.1580 177.2064 9.3987 60.0552 63.2421 -89.6510 100.8003 - 159.9783 -72.5867 111.0279 0.0000 - 154.7406 156.3093 120.3336 156.7051 136.1622 133.0668 147.4878 128.0191 - 143.5465 0.0000 0.0000 118.2155 156.8775 106.6133 0.0000 139.9362 - 101.1196 125.4421 113.5355 135.9441 - -164.0383 -112.2598 -85.7360 -74.2419 -155.5090 -93.6489 -94.2298 -135.5431 - -131.3925 0.0000 0.0000 -119.0681 -93.2597 -74.1657 0.0000 122.8973 - -84.3653 -158.7373 -104.2738 -117.2497 - Initial conformation 173 - 149.4020 109.7587 141.6376 116.8998 104.9399 124.0695 150.7361 97.8195 - 166.1632 95.9787 106.4547 123.1945 109.2175 94.2454 159.0626 114.2576 - 91.0805 112.1279 117.5012 146.4308 - -86.6861 83.4432 111.6767 -5.6296 125.0095 -153.8645 117.0088 -40.0398 - -7.0681 42.3748 135.4136 -148.5120 157.9701 79.7885 -163.3441 -57.7355 - 95.0329 -59.3836 29.2971 0.0000 - 106.9396 145.7043 136.0086 165.3969 124.0703 90.6820 124.6492 136.0851 - 102.3776 0.0000 0.0000 115.9095 107.9494 108.2407 0.0000 177.3221 - 96.5696 108.0247 121.2666 95.6005 - -78.0497 -119.0683 -132.8369 -99.9804 -71.8063 -67.0383 -9.9305 -69.7163 - -78.4991 0.0000 0.0000 -124.6563 -71.3119 -77.2288 0.0000 -102.0144 - -108.1872 -104.5328 -130.3535 -66.9834 - Initial conformation 174 - 97.5633 132.6571 119.2410 166.2245 109.1850 124.4370 147.9658 132.5543 - 121.7222 106.3759 100.7815 123.5770 120.3187 122.4214 148.8498 108.5419 - 65.1166 118.2423 128.9351 121.8848 - 46.8407 154.6452 -123.3197 -124.4858 63.8275 -115.6232 -53.4243 -18.1999 - 95.3952 -152.0573 101.9136 49.5594 -159.8141 33.6409 -176.7598 -17.0531 - -138.6144 44.7195 3.0537 0.0000 - 179.0206 140.3859 147.4957 145.1569 158.2652 157.7318 111.5532 160.1504 - 160.9668 0.0000 0.0000 132.0999 83.8848 108.5254 0.0000 127.0443 - 90.1644 117.3024 122.2489 88.3024 - -21.6354 -49.8872 172.6271 -56.5907 7.2268 -160.3455 -66.9654 -110.0468 - -22.7503 0.0000 0.0000 -144.1940 -62.4871 -62.8515 0.0000 -0.8951 - -115.6869 -117.6682 -131.2846 -59.9625 - Initial conformation 175 - 83.8874 90.2314 146.5914 149.4565 137.0437 134.5469 151.0469 93.6208 - 98.4400 126.9870 142.8870 118.8577 92.4272 92.2044 101.4652 100.9477 - 98.4589 116.5213 88.7367 135.9422 - -70.1297 64.2006 64.2179 -92.9384 -49.2547 -136.3972 163.0688 177.3716 - -37.6855 -3.4524 -123.9289 -95.6789 137.5310 -110.4504 -12.2627 -155.0804 - -9.7557 -77.6393 -155.8918 0.0000 - 155.6756 168.2911 117.4444 139.2940 153.6662 133.8345 137.5965 153.5323 - 162.7520 0.0000 0.0000 129.4249 150.0602 130.0406 0.0000 137.8050 - 105.6261 127.0564 111.7709 90.5824 - -46.5049 -109.8994 -83.7961 -77.0907 66.7168 -10.5277 -100.0326 -136.1788 - 7.7773 0.0000 0.0000 -138.7501 9.1014 -11.1757 0.0000 -67.8921 - -107.3514 -139.9149 -139.1269 -64.0599 - Initial conformation 176 - 132.0506 94.4563 111.9855 135.1181 111.9972 111.8985 103.9572 117.3770 - 126.4151 108.1202 143.7197 133.6946 96.7895 119.1505 128.4172 117.0136 - 121.3672 129.2341 125.8289 93.4154 - 145.4634 18.5707 50.8409 -87.9442 -144.8442 -114.0416 -174.7457 102.6673 - 93.5282 -133.5305 -34.6063 -30.5093 -80.9142 -106.4967 140.6510 -21.6132 - -109.3802 -91.8691 7.1988 0.0000 - 122.5667 154.7516 121.8255 164.1880 159.5556 131.3555 151.6847 137.6953 - 149.1736 0.0000 0.0000 119.2703 98.4563 107.8222 0.0000 121.4652 - 117.3351 122.0369 114.5269 158.8123 - -93.5836 -32.0622 5.4816 -147.6744 -158.7838 -8.6930 -151.2979 -74.1655 - -29.1767 0.0000 0.0000 -134.0798 -52.3820 -67.4885 0.0000 -90.1782 - -123.8810 -138.9001 -117.7950 -86.2360 - Initial conformation 177 - 121.5291 114.9245 114.5075 166.1341 112.7382 121.8805 127.4865 123.2486 - 96.2847 132.6627 128.6921 71.2967 100.6525 93.5766 115.6029 151.1148 - 121.9772 142.6038 81.5624 108.3880 - 49.0080 -4.7240 19.1680 -1.0887 -146.1672 -1.0768 -129.4807 -134.1822 - 165.0171 -48.6763 -111.7955 54.5012 59.0232 40.0940 76.8557 11.4066 - -126.0836 6.8021 -123.0757 0.0000 - 137.9397 150.1570 133.3797 140.4511 139.4374 148.0178 141.9522 144.8824 - 141.9243 0.0000 0.0000 92.5014 111.5398 145.5193 0.0000 136.5348 - 121.6515 125.0416 90.7985 155.0324 - -137.9885 -128.3665 -99.3137 -71.8666 -135.6693 172.9708 -25.8121 -94.8138 - -146.2455 0.0000 0.0000 -113.0489 -71.9494 -44.8966 0.0000 -73.7745 - -127.5605 -155.0456 -121.7389 -57.9457 - Initial conformation 178 - 75.0325 111.9194 127.6753 80.5144 149.5138 95.5611 121.8947 115.8477 - 98.8395 142.9951 140.9257 100.1977 105.6296 111.1191 103.9404 139.1065 - 151.5989 135.3118 134.0064 87.1105 - -14.4831 137.2762 98.1107 -102.2774 89.1312 126.5910 101.4423 -114.5702 - -5.1226 -100.0034 104.5274 96.2375 141.0796 166.7165 -0.7675 -131.9901 - -0.6223 -79.5495 -22.0955 0.0000 - 163.7598 160.8862 110.8172 132.8048 177.3680 154.4898 137.5369 138.9408 - 152.2827 0.0000 0.0000 102.6287 142.9576 132.6980 0.0000 137.2994 - 133.6070 112.4452 138.2018 112.5456 - -150.7314 -32.4534 -87.0974 -80.0206 138.7902 146.7017 -104.4369 -56.6749 - -46.8369 0.0000 0.0000 -107.4029 -127.4640 34.6468 0.0000 -71.4442 - -171.4827 -125.8820 -158.5785 -66.8292 - Initial conformation 179 - 101.9586 77.8752 145.2027 85.9970 123.8005 90.9301 135.4693 83.1330 - 103.2330 129.3289 112.6016 127.1813 115.1753 109.3062 143.9021 146.2530 - 126.1377 138.4542 117.6882 94.8608 - 161.3135 68.7509 -174.2999 120.2926 1.0038 -44.6339 -73.6914 99.5277 - 170.5199 -43.1050 -68.0123 -87.2835 25.8164 126.1095 -158.5736 -61.7631 - 73.1179 35.1937 169.7621 0.0000 - 141.8803 152.0727 142.8655 151.9090 166.3652 172.7196 142.0157 168.6464 - 137.9987 0.0000 0.0000 126.0108 175.7777 104.4077 0.0000 97.3988 - 125.7092 131.4017 115.4531 109.3253 - -131.8831 -141.2006 -136.7415 -86.2239 -161.0566 122.0275 -103.8285 -98.6714 - -102.1117 0.0000 0.0000 -141.3524 -48.0923 -64.7139 0.0000 71.8576 - -141.3034 -160.1135 -114.5242 -70.0556 - Initial conformation 180 - 93.3167 129.9474 116.6647 137.3799 132.0715 99.8589 135.6636 85.6826 - 97.3070 124.8492 97.7917 133.9941 100.5731 123.8190 146.3493 131.1756 - 134.1918 97.5735 150.2175 108.7086 - -37.5645 55.6475 -60.6094 -34.8101 -63.2612 44.8377 -67.3276 -146.0699 - -3.8399 -95.3632 56.7548 -142.8655 -165.5201 -36.0163 -102.4274 -9.7707 - -22.5975 -43.6452 155.8670 0.0000 - 148.3502 144.7668 106.1451 168.7059 150.4420 162.4839 147.5028 146.8382 - 154.1858 0.0000 0.0000 124.4956 156.6142 145.4113 0.0000 146.3253 - 133.7691 101.7618 139.2666 130.0959 - -145.3487 -65.8937 -96.1073 -114.5133 -84.9684 148.2749 -139.4145 -106.6551 - -112.2943 0.0000 0.0000 -147.6314 -78.4880 -92.1938 0.0000 -111.2738 - -157.4643 -100.2558 173.0413 -64.8893 - Initial conformation 181 - 96.8666 94.9594 112.1128 128.5965 90.0252 138.1930 98.5016 98.8188 - 132.5709 125.1447 111.3927 135.7679 93.7518 91.0744 127.9947 94.6857 - 144.4448 123.5937 111.6198 132.9502 - -165.6825 21.5438 -139.3085 -110.7609 23.5984 23.9470 -179.0336 -119.4179 - -155.4431 -52.5164 -31.3092 158.7463 114.9319 -57.4611 -51.8825 -111.7235 - 167.7055 -72.0257 -122.2831 0.0000 - 160.1897 159.8243 148.1100 170.9919 139.4907 130.1865 153.5057 144.1516 - 147.8150 0.0000 0.0000 123.2440 111.1807 108.2525 0.0000 127.2370 - 124.6520 120.9120 122.0917 127.2538 - 167.5642 -122.9658 170.9357 -120.9492 -101.5500 -135.5288 -28.8081 -145.8754 - -50.2851 0.0000 0.0000 -136.4525 -63.0392 -76.5573 0.0000 165.1654 - -150.2746 -126.8833 -124.2792 -75.6835 - Initial conformation 182 - 92.6212 88.1386 85.2790 130.3828 105.6131 104.0368 103.3210 118.4724 - 84.9274 95.1130 101.9476 76.1052 124.4962 133.7143 125.9747 93.2132 - 114.1369 157.4923 102.2990 84.7782 - -173.9658 94.3552 -50.8386 105.4149 54.0796 33.1662 -21.5103 -160.7132 - -76.2639 -56.4436 -42.0672 155.6370 -107.7160 60.4864 -7.3154 53.4168 - 163.6218 156.1629 -109.7830 0.0000 - 142.1982 153.3961 140.3486 162.0522 156.5104 143.3161 155.2798 161.6094 - 145.9113 0.0000 0.0000 101.9396 131.1725 114.7420 0.0000 158.4075 - 120.2559 138.2930 98.8835 110.0015 - -100.8383 -119.3810 -7.9516 -127.8209 -22.5427 -122.7632 -130.7985 -122.2665 - -127.8068 0.0000 0.0000 -86.8117 -52.1811 -58.2224 0.0000 -157.0596 - -124.3299 166.1817 -135.2327 -64.9508 - Initial conformation 183 - 97.2071 135.6117 122.0448 85.7160 130.3613 127.5079 127.7941 84.0241 - 124.3395 110.1270 124.9120 152.0430 98.3284 130.6474 156.9004 105.4710 - 152.3921 95.0815 131.6561 108.7795 - -92.0675 15.9682 73.6284 84.6678 23.5988 -138.0414 2.4717 -73.1509 - -110.0686 68.8677 -65.7280 -22.5939 56.6832 -176.4215 60.7437 -43.8498 - 172.1006 -171.3852 123.0326 0.0000 - 141.0610 139.9102 132.0641 130.9817 151.2010 99.5689 167.7586 145.2544 - 99.2554 0.0000 0.0000 131.1260 142.1096 124.4144 0.0000 149.9184 - 133.3922 103.6602 129.2902 140.2296 - -111.0555 -133.5898 -139.3247 -95.3828 -25.2105 -101.6119 163.0672 -142.0906 - -85.8284 0.0000 0.0000 -172.0763 -12.8674 -66.0781 0.0000 -57.7415 - -175.2681 -107.9930 -145.5367 -56.8125 - Initial conformation 184 - 89.6340 130.9882 121.5082 153.9795 137.0851 120.7720 98.0349 115.1973 - 88.2003 114.2580 124.5740 109.2107 93.8871 145.8383 133.1358 110.8666 - 107.6942 98.3070 100.7292 104.9553 - -178.0730 115.6878 70.0220 2.6627 -64.4022 -8.7235 57.2659 178.5880 - 131.8891 50.9320 145.8626 167.2291 -166.1532 -169.1135 -105.4105 158.8515 - 172.5749 -33.4348 35.7470 0.0000 - 156.8523 153.1576 79.8282 127.9995 174.2619 148.3865 150.8382 140.9153 - 153.2540 0.0000 0.0000 108.0658 155.7446 91.8940 0.0000 159.3097 - 117.4943 105.3627 103.3384 144.9584 - 3.9160 -136.6341 -90.2468 -78.6819 -32.0803 152.1441 -69.9728 -148.0663 - -34.7910 0.0000 0.0000 -104.8100 33.2651 -56.9461 0.0000 -132.5761 - -117.2197 -122.1306 -115.8134 -80.5103 - Initial conformation 185 - 124.3336 88.7064 124.1741 127.8260 86.7745 147.3466 123.1169 127.0566 - 120.9038 88.6730 123.2921 58.1020 95.4415 118.6004 105.1814 130.4571 - 93.2873 131.1297 156.0927 149.1486 - 108.2692 61.2116 44.5746 -145.6884 152.6656 92.5171 22.9868 -154.4011 - 178.0263 73.8415 115.9478 171.1133 79.1875 127.4758 -107.9775 87.5830 - -90.5208 -140.2799 -18.0804 0.0000 - 139.9974 160.5424 130.4936 170.8902 160.3030 93.8442 159.6537 130.7005 - 122.6668 0.0000 0.0000 121.3406 165.4558 99.5809 0.0000 119.0576 - 99.9676 116.2642 138.9422 115.8008 - -95.9289 -140.0113 -7.9342 -146.8826 -139.7724 -64.2609 -33.8118 17.5490 - -81.6694 0.0000 0.0000 -97.6598 -135.6672 -58.6702 0.0000 10.9760 - -112.5331 -126.9605 164.4771 -152.1455 - Initial conformation 186 - 99.9351 95.8731 97.0142 114.9139 135.0785 126.5168 143.5386 163.2214 - 113.1769 105.9372 140.2421 120.7924 83.6265 91.7290 112.5869 116.0216 - 134.3164 110.6585 114.6571 95.9609 - 6.2549 46.7968 -107.3269 17.4333 74.4127 171.4065 -15.3542 107.0280 - -67.3788 169.8690 22.8536 -6.0259 -122.7935 109.7864 23.9368 168.5994 - -46.7039 -176.4994 136.9200 0.0000 - 119.7931 147.5234 133.5454 172.6580 139.7407 124.0268 130.7626 119.9674 - 156.8926 0.0000 0.0000 125.7158 104.1549 147.6908 0.0000 134.3836 - 131.8509 118.3920 121.1361 97.2189 - -78.9746 -144.3883 -141.2665 -116.9924 167.5242 -11.3180 -56.4424 -33.8866 - -45.8153 0.0000 0.0000 -139.4121 -59.9036 -51.4493 0.0000 -30.4216 - -159.5468 -126.8868 -125.0008 -61.1148 - Initial conformation 187 - 127.1675 69.7684 122.9052 67.7458 102.5453 139.3071 133.2443 135.5758 - 119.7788 117.3609 101.2792 95.7995 147.5347 117.4703 113.3006 101.9278 - 103.6842 117.6738 129.1838 91.1283 - 46.7982 63.8523 -8.3181 -161.7783 36.8555 -121.8103 70.7257 44.3626 - -40.3395 100.5922 -88.5419 -121.3091 -149.6888 -92.8586 -46.5441 -169.2771 - -51.6393 -160.7017 95.7629 0.0000 - 143.5602 168.7207 118.8648 146.6655 125.1780 95.2889 133.6994 127.2258 - 102.9863 0.0000 0.0000 102.5932 85.1468 152.0046 0.0000 149.1785 - 100.6082 121.7202 122.0344 139.9056 - -151.0077 -167.5647 -16.7568 -87.8578 -143.9012 -101.6798 -73.7688 -122.6103 - -79.3009 0.0000 0.0000 -121.8178 -59.7949 -60.0758 0.0000 -71.0772 - -141.9794 -125.5968 -144.6510 -8.2951 - Initial conformation 188 - 110.5392 100.1808 123.2824 94.1031 91.8593 138.9935 125.2155 97.9923 - 124.2582 132.6418 109.4174 114.0108 105.5409 88.1017 111.0692 120.3493 - 121.5721 81.2484 150.4933 99.2487 - 15.0901 5.2790 -57.1617 148.6285 31.5919 55.0236 -121.9289 176.2688 - -92.7043 -125.3967 -47.0061 99.8246 89.5924 124.1618 176.4861 -148.8166 - -154.6420 -48.3206 -25.3436 0.0000 - 111.8008 153.0154 136.4367 141.4460 132.7694 139.7078 147.6995 148.7999 - 152.6024 0.0000 0.0000 112.4955 148.4955 152.8385 0.0000 136.1219 - 122.2263 104.2372 121.3322 154.8034 - -130.2772 -100.5177 -115.5951 -88.7528 -97.4526 145.6208 -38.8182 -147.9102 - -2.7494 0.0000 0.0000 -114.2126 -101.8819 -51.0506 0.0000 -78.9911 - -131.4870 -114.2231 -158.6289 -105.5130 - Initial conformation 189 - 93.0106 76.5722 87.4414 98.1118 143.6134 150.9006 90.4473 128.3505 - 80.5321 124.2870 157.6491 133.2342 118.0401 127.6846 99.5629 82.0999 - 129.3582 96.5859 136.8266 95.8679 - -127.5895 -72.2863 128.3857 138.1900 -152.2948 111.2636 -152.4647 46.7993 - -46.7621 65.5474 -73.9872 -121.0369 -95.2203 139.0715 96.1280 138.4812 - 179.4466 41.2290 -7.6788 0.0000 - 139.8318 145.0029 165.8488 147.2493 164.3167 101.6823 149.1775 147.6957 - 142.5778 0.0000 0.0000 120.2733 143.9631 152.3374 0.0000 150.3075 - 121.2472 90.1281 122.6448 151.2561 - -137.6961 -110.1489 176.7489 -66.9853 19.1073 -68.7806 -144.8271 -135.4072 - -110.1746 0.0000 0.0000 -141.4037 -40.6475 -30.4650 0.0000 -5.2684 - -135.5478 -123.0101 -141.5841 -157.2111 - Initial conformation 190 - 126.6723 149.0657 134.0736 148.3292 124.8491 107.9027 141.9611 132.5111 - 120.8872 100.2016 138.9947 144.3089 107.2716 90.9802 117.8309 109.9806 - 137.9877 119.4797 117.5672 95.4512 - 177.4692 -106.3719 77.0024 -11.9209 94.8886 -101.3181 114.2511 -48.4172 - 30.8679 128.5564 30.2376 79.8783 106.1243 -96.5123 81.4928 117.6765 - -39.1829 114.6408 -155.4937 0.0000 - 153.0221 125.3593 124.9804 155.6696 170.3089 152.1951 127.5552 154.4271 - 157.3668 0.0000 0.0000 133.4227 107.5827 104.8769 0.0000 135.7373 - 139.9918 121.7710 120.0071 147.4589 - 3.8844 -64.2611 -103.3668 -77.7953 -94.7531 -160.5401 -66.0696 -123.8283 - -34.7115 0.0000 0.0000 -161.5493 -67.4405 -66.6230 0.0000 -86.3194 - -170.6223 -123.6664 -129.3579 -22.7656 - Initial conformation 191 - 72.2642 104.5287 105.9634 104.1109 88.8188 126.2877 87.3268 77.0206 - 119.4927 123.5623 167.4789 126.0464 114.2263 164.1576 125.4089 103.9088 - 86.9218 139.0754 141.1239 155.2440 - 56.1932 88.4650 48.4839 132.9247 47.0872 -131.1749 -90.6915 -162.2559 - -2.9426 -0.0266 -128.0274 -155.1117 109.1057 27.1010 -41.2896 32.8772 - 41.1183 -176.1097 41.1394 0.0000 - 155.6165 158.9502 136.5786 141.2110 125.8344 156.3847 141.5540 148.3819 - 121.8587 0.0000 0.0000 124.3995 94.6443 78.2928 0.0000 155.0335 - 98.8334 128.7639 122.9008 99.5763 - 164.7337 -135.2624 -139.9676 -80.0083 -76.2368 -153.2487 -138.5810 -28.0665 - -117.5047 0.0000 0.0000 -134.5776 -71.3755 -46.6164 0.0000 106.1479 - -98.0619 -155.2321 -147.0168 -60.2836 - Initial conformation 192 - 78.3593 84.7634 125.2470 122.3436 133.8864 106.6613 129.8964 125.9898 - 98.6679 167.9320 92.9781 142.5603 115.4777 155.5644 119.7530 102.9901 - 130.8410 119.4511 108.1638 107.6214 - 65.2331 46.6146 -115.5920 -167.6190 43.5063 -67.8341 -144.6999 95.8085 - -49.9421 9.2608 149.4449 34.0199 53.0526 93.5986 -91.0479 168.5557 - 37.1851 91.2698 -9.7940 0.0000 - 171.9382 161.3718 106.6750 160.4132 153.0939 151.8282 170.9374 148.2181 - 115.3718 0.0000 0.0000 119.1421 128.6274 86.4496 0.0000 150.8158 - 133.0413 123.4920 107.8416 101.1599 - -29.8910 -34.3916 -86.6722 -82.3532 124.7105 -148.6173 -136.1421 -61.0492 - -80.1071 0.0000 0.0000 -142.8374 -76.5775 -57.5823 0.0000 3.4436 - -157.6418 -135.4309 -103.5221 -73.2673 - Initial conformation 193 - 108.0520 80.4522 84.3938 105.8732 132.1121 146.9796 105.9096 147.9847 - 107.1226 143.4706 123.8069 126.3347 140.0372 124.6964 123.8153 89.2788 - 120.3321 138.2858 120.6529 102.4097 - 63.2782 67.0982 -92.7581 -3.0419 -28.9333 70.2419 -52.3007 108.1652 - -126.9985 -99.2169 -65.2467 71.3197 2.4395 -28.2576 108.0970 3.0306 - 139.1930 115.9890 129.4893 0.0000 - 112.9408 169.0054 157.1029 136.0466 155.0564 87.0294 164.2954 97.8003 - 137.8904 0.0000 0.0000 124.5547 131.1492 101.7333 0.0000 154.1068 - 124.5564 123.9813 117.6775 165.3256 - -82.7042 11.6770 10.5338 -105.5011 165.4265 -69.6838 -125.5295 -156.2682 - -96.3786 0.0000 0.0000 -128.9403 -58.3690 -63.5111 0.0000 110.5137 - -129.0828 -138.9697 -130.0865 -71.5346 - Initial conformation 194 - 89.6550 100.6515 122.4764 130.1974 128.0497 141.4751 101.5762 121.2834 - 79.1922 129.6726 137.9360 144.8398 118.1130 138.0774 120.5071 116.3279 - 148.0773 127.1508 115.7855 143.0324 - -1.0927 170.8973 -152.7233 -177.7697 126.7751 56.5785 -142.8290 18.1105 - -60.6820 -143.2988 27.6964 -176.3746 -8.6420 -50.0163 20.6523 68.3338 - 172.4526 126.4994 -45.5797 0.0000 - 111.6637 155.4414 126.5079 162.2044 145.9698 143.8989 157.5825 153.1174 - 137.7867 0.0000 0.0000 126.1812 88.8951 134.8345 0.0000 118.5005 - 123.0682 131.3882 125.8978 91.9807 - -83.6918 -140.7808 -4.9702 -75.4585 -136.0938 -149.1282 -101.8365 -72.8868 - -127.1369 0.0000 0.0000 -155.0872 -66.9986 -88.6540 0.0000 3.3576 - -149.1949 -147.9770 -129.0306 -58.2633 - Initial conformation 195 - 91.8339 136.7825 121.3961 105.0959 91.2619 107.4086 162.2432 120.6853 - 61.9620 140.3851 153.7473 78.0921 90.4573 159.6984 122.6169 105.0492 - 122.5454 115.2231 160.1792 136.9430 - -20.5114 -43.8472 -112.8545 -40.7539 -49.7841 121.1758 137.8390 49.1244 - 73.0168 -82.6206 -130.7390 156.1750 119.1365 99.2790 98.6833 -46.8472 - -101.8605 -54.7695 143.7719 0.0000 - 162.9511 154.6576 145.9791 145.9906 135.5406 150.2409 100.9299 148.0366 - 159.0128 0.0000 0.0000 101.7280 166.4928 85.7872 0.0000 149.2956 - 113.6230 124.2307 147.7379 156.4550 - -17.4519 -104.8542 -146.5338 -66.7606 -33.3102 152.0750 -25.8348 -160.2441 - -156.1525 0.0000 0.0000 -99.2165 -19.2360 -38.7935 0.0000 -103.0914 - -122.6196 -130.9767 147.4068 -119.2693 - Initial conformation 196 - 95.0068 125.0847 121.2511 130.5821 104.8093 132.4027 88.6686 112.9217 - 103.5835 100.8226 113.5271 165.6501 103.7130 122.2618 120.5129 112.9002 - 82.4700 91.2747 83.7779 90.0401 - 122.5176 -115.9545 24.2085 -122.5147 126.6567 -66.3192 46.0262 -173.2011 - -94.2211 59.5610 -108.9693 162.8967 -69.7584 -143.5261 168.6572 2.1735 - 120.2840 -6.2534 49.2926 0.0000 - 139.6736 132.5000 139.0027 163.7282 145.0471 133.1065 150.9421 149.2365 - 123.6230 0.0000 0.0000 152.0127 101.8909 102.6828 0.0000 130.2398 - 106.6916 97.0605 95.8954 149.2798 - -108.7988 -54.9971 -130.5929 -100.4474 -80.3817 -24.2861 -19.0681 -99.0916 - -87.8328 0.0000 0.0000 110.0849 -66.5672 -73.4065 0.0000 -124.6200 - -104.8760 -116.3175 -119.1481 -71.8803 - Initial conformation 197 - 116.0277 90.0977 113.7086 84.8856 91.7983 121.7008 104.9093 147.8882 - 88.9345 123.5200 115.7771 119.2711 98.0767 137.6463 122.7871 105.8660 - 94.1829 142.2762 75.6309 149.5986 - 129.7036 99.0345 77.0861 -122.0185 138.4165 -74.1965 0.1756 -29.6281 - -158.8645 105.8379 -64.6892 -107.7327 45.4068 54.6642 -47.5392 112.5500 - 44.0991 136.4800 37.1920 0.0000 - 109.1552 143.8628 112.7051 136.4412 153.2006 130.9720 158.2160 142.5665 - 124.4719 0.0000 0.0000 121.3741 138.3866 95.8728 0.0000 118.9889 - 101.6699 118.9293 100.4014 92.8154 - -92.3018 -105.1894 -97.7993 -92.9981 -112.6200 -179.6266 -114.6846 -45.5625 - -126.4660 0.0000 0.0000 -123.9894 -88.3216 -71.9731 0.0000 -56.5414 - -117.1786 -136.8438 -100.8395 -61.1314 - Initial conformation 198 - 113.6312 85.7821 151.8314 117.4087 114.4519 126.3000 125.7500 108.6802 - 145.3801 120.4152 109.6961 121.4659 100.7392 97.0933 120.3675 136.5732 - 98.6528 131.7655 121.2395 155.4058 - 24.4833 -113.6291 -87.3610 93.8271 -134.0309 13.6545 -66.3596 -123.9272 - 26.4748 -44.0268 133.0960 109.8035 84.2232 -44.5468 98.6547 83.4551 - -177.8867 131.7200 132.5228 0.0000 - 145.6176 155.4086 112.7455 165.7147 152.0776 118.3599 145.5846 153.1500 - 119.1523 0.0000 0.0000 106.5310 158.6430 100.2942 0.0000 134.3824 - 103.5411 120.2430 120.3359 87.0061 - -125.7328 -24.7709 -81.8372 -115.0176 -63.6873 -22.4797 -15.3592 -173.4474 - -92.6251 0.0000 0.0000 -104.1065 -144.2173 -65.5075 0.0000 -63.7948 - -84.7717 -130.5903 -130.8653 -53.4814 - Initial conformation 199 - 93.6150 115.2210 86.3419 125.0849 98.7478 115.8631 119.6202 91.7395 - 148.2329 81.9679 124.2469 118.9353 99.8002 107.4860 129.4667 135.0919 - 118.5813 122.3049 99.2187 95.0749 - 87.9838 12.5931 48.0892 -131.4294 137.6476 149.5468 -65.2031 -87.9987 - 107.3226 -7.3455 -108.7879 6.7556 -21.2939 -99.1247 10.2343 -115.6788 - 101.9822 -5.3408 115.4427 0.0000 - 132.5671 142.2905 144.8955 161.8989 139.3357 152.4826 167.4377 153.0630 - 103.6032 0.0000 0.0000 122.5379 153.8389 177.4650 0.0000 154.5789 - 115.5739 124.7383 114.7736 108.3259 - -133.8548 -20.7763 -7.2162 -134.7673 -102.1954 -171.0108 -72.7787 -101.2068 - -78.8720 0.0000 0.0000 -129.3560 -35.4213 -73.8125 0.0000 -179.4091 - -116.2450 -137.2732 -124.6321 -72.6097 - Initial conformation 200 - 127.3721 124.9552 121.7959 130.1486 68.2069 115.9289 124.1924 104.3906 - 95.4035 106.5695 121.5441 93.2532 109.3493 127.8381 124.7940 161.3753 - 124.0742 66.0838 127.4461 123.9211 - -16.7537 100.0319 106.1668 -112.2073 -67.9805 144.0672 135.5483 -165.0480 - 9.3884 161.6690 25.9246 11.7848 -114.2089 18.1977 -62.1392 74.5312 - -43.6995 148.2530 47.7666 0.0000 - 120.9284 156.4802 122.1388 165.9009 147.1140 143.8298 144.8116 138.0143 - 150.8884 0.0000 0.0000 92.9063 150.9012 96.6571 0.0000 125.4670 - 118.1814 87.0398 122.5214 142.7005 - -103.6769 -79.6592 -18.2036 -133.6724 -83.2139 -8.8696 177.7876 -153.9740 - -115.5418 0.0000 0.0000 -122.9622 -54.3532 -61.0765 0.0000 -25.7541 - -132.2350 -82.9466 -139.8802 -103.8640 - Calling FEEDIN NCONF 200 - Time for first bank min. 1.61718750000000 - AVEDIF 1768.73465411444 - make_var : nseed= 20 ntry= 420 - Time for make trial 1 0.08 -Nonsetup time 2.07 sec, Eval/s = 66119.00 -Time for iter 1 2.07 sec, Eval/s = 66119.00 - UPDATING 389 - -1 e 1 22 etot 1.3528E+20 mv 6 0 8 68 0 - 4 e 173 20 etot -5.9614E+01 mv 6 0 1 41 0 - 4 e 168 30 etot -4.5018E+01 mv 6 0 8 98 0 c 128 785.0 3.3 - -1 e 1 34 etot 1.3528E+20 mv 6 0 9 47 0 - 4 e 173 32 etot -4.6858E+01 mv 6 0 9 174 0 f 200 877.2 78.9 - 4 e 246 5 etot -4.9070E+01 mv 6 0 49 70 0 c 70 210.8 0.2 - 4 e 234 29 etot -2.9851E+01 mv 6 0 8 197 0 f 199 1038.1 17.4 - 4 e 232 17 etot -5.9909E+01 mv 6 0 1 171 0 - 4 e 231 18 etot -5.8359E+01 mv 6 0 1 71 0 - 4 e 245 9 etot -4.0416E+01 mv 6 0 49 155 0 c 155 740.8 2.0 - 4 e 245 11 etot -6.9251E+01 mv 6 0 1 53 0 c 1 6.8 0.0 - 4 e 354 1 etot -4.8177E+01 mv 6 0 49 132 0 - 4 e 304 3 etot -4.4682E+01 mv 6 0 49 78 0 f 198 875.4 27.0 - 4 e 418 4 etot -5.2953E+01 mv 6 0 49 2 0 c 49 546.2 1.8 - 4 e 52 40 etot -5.0038E+01 mv 6 0 9 62 0 c 62 0.7 0.0 - 4 e 133 36 etot -5.0925E+01 mv 6 0 9 28 0 f 197 1050.4 30.3 - 4 e 172 24 etot -4.5633E+01 mv 6 0 8 137 0 c 137 283.0 4.7 - 4 e 321 28 etot -6.0737E+01 mv 6 0 8 107 0 c 8 177.4 0.7 - 4 e 157 35 etot -4.6109E+01 mv 6 0 9 130 0 c 130 484.1 4.5 - 4 e 384 16 etot -6.9412E+01 mv 6 0 1 188 0 c 1 105.5 0.2 - 4 e 516 6 etot -6.5076E+01 mv 6 0 49 5 0 f 196 937.9 44.4 - 4 e 405 8 etot -5.1605E+01 mv 6 0 49 61 0 - 4 e 237 41 etot -5.6451E+01 mv 6 0 7 100 0 c 100 791.1 11.7 - 4 e 406 10 etot -4.5590E+01 mv 6 0 49 63 0 f 195 899.8 24.2 - 4 e 492 12 etot -5.6539E+01 mv 6 0 1 115 0 c 60 751.1 6.4 - 4 e 164 39 etot -4.7128E+01 mv 6 0 9 187 0 - 4 e 369 19 etot -5.6537E+01 mv 6 0 1 96 0 - 4 e 434 21 etot -4.9506E+01 mv 6 0 8 113 0 - 4 e 190 25 etot -5.1373E+01 mv 6 0 8 52 0 - 4 e 204 44 etot -4.7842E+01 mv 6 0 7 155 0 c 155 676.6 7.4 - 4 e 370 38 etot -4.9850E+01 mv 6 0 9 157 0 - 4 e 644 2 etot -4.1372E+01 mv 6 0 49 126 0 - 4 e 304 45 etot -5.3895E+01 mv 6 0 7 76 0 c 76 662.2 5.6 - 4 e 467 33 etot -5.6266E+01 mv 6 0 9 171 0 - 4 e 158 56 etot -5.3274E+01 mv 6 0 5 43 0 c 43 125.2 1.3 - 4 e 659 13 etot -6.8409E+01 mv 6 0 1 118 0 f 194 881.0 44.5 - 4 e 264 50 etot -5.3372E+01 mv 6 0 7 62 0 f 193 892.4 28.6 - 4 e 719 14 etot -6.1561E+01 mv 6 0 1 144 0 f 192 928.3 36.1 - 4 e 654 37 etot -5.9686E+01 mv 6 0 9 144 0 f 191 879.8 33.8 - 4 e 389 47 etot -6.6697E+01 mv 6 0 7 190 0 f 190 895.2 40.3 - 4 e 448 43 etot -5.0502E+01 mv 6 0 7 96 0 - 4 e 335 46 etot -6.6656E+01 mv 6 0 7 4 0 f 189 962.6 39.8 - 4 e 88 70 etot -4.5359E+01 mv 6 0 10 103 0 c 103 89.0 0.8 - 4 e 567 42 etot -4.4115E+01 mv 6 0 7 57 0 f 188 1083.1 15.1 - 4 e 311 52 etot -5.8428E+01 mv 6 0 5 112 0 f 187 858.9 28.9 - 4 e 326 61 etot -5.9390E+01 mv 6 0 10 4 0 c 10 67.5 0.3 - 4 e 202 64 etot -4.6380E+01 mv 6 0 10 120 0 f 199 925.2 16.5 - 4 e 394 49 etot -4.8316E+01 mv 6 0 7 66 0 - -1 e 1 79 etot 1.3528E+20 mv 6 0 15 50 0 - 4 e 437 51 etot -3.8657E+01 mv 6 0 5 179 0 f 186 946.7 8.7 - 4 e 227 69 etot -4.9974E+01 mv 6 0 10 159 0 c 159 691.8 12.2 - 4 e 378 63 etot -4.8236E+01 mv 6 0 10 133 0 - 4 e 79 80 etot -4.1123E+01 mv 6 0 15 132 0 c 132 3.4 0.0 - 4 e 384 65 etot -6.2101E+01 mv 6 0 10 11 0 c 11 800.4 3.1 - 4 e 414 26 etot -5.5210E+01 mv 6 0 8 57 0 - -1 e 1 85 etot 1.3528E+20 mv 6 0 3 65 0 - 4 e 177 78 etot -4.7603E+01 mv 6 0 15 137 0 c 137 135.4 2.0 - 4 e 128 81 etot -4.8524E+01 mv 6 0 3 119 0 c 119 209.9 5.7 - 4 e 522 55 etot -4.7913E+01 mv 6 0 5 40 0 - 4 e 287 71 etot -5.0957E+01 mv 6 0 15 92 0 - 4 e 579 59 etot -5.1779E+01 mv 6 0 5 22 0 - 4 e 235 77 etot -4.5511E+01 mv 6 0 15 192 0 f 185 935.9 14.9 - 4 e 418 57 etot -6.1324E+01 mv 6 0 5 89 0 - 4 e 545 58 etot -4.9395E+01 mv 6 0 5 112 0 - 4 e 601 53 etot -5.2062E+01 mv 6 0 5 135 0 c 135 623.3 11.1 - 4 e 343 74 etot -5.8116E+01 mv 6 0 15 63 0 c 15 43.1 0.2 - 4 e 150 87 etot -5.8988E+01 mv 6 0 3 11 0 - 4 e 663 54 etot -6.4609E+01 mv 6 0 5 21 0 c 5 450.3 3.3 - 4 e 243 83 etot -4.2237E+01 mv 6 0 3 157 0 c 157 517.6 4.2 - 4 e 547 67 etot -5.7480E+01 mv 6 0 10 30 0 - 4 e 151 95 etot -4.9250E+01 mv 6 0 11 10 0 f 184 935.2 18.4 - 4 e 531 27 etot -5.8130E+01 mv 6 0 8 45 0 - 4 e 259 92 etot -4.5858E+01 mv 6 0 11 145 0 c 145 434.7 6.1 - 4 e 500 76 etot -5.3792E+01 mv 6 0 15 87 0 - 4 e 568 72 etot -5.7711E+01 mv 6 0 15 187 0 - 4 e 232 96 etot -5.9234E+01 mv 6 0 11 42 0 c 184 318.7 10.0 - 4 e 528 75 etot -4.9411E+01 mv 6 0 15 165 0 - 4 e 201 98 etot -5.9274E+01 mv 6 0 11 128 0 c 184 168.5 0.0 - 4 e 391 73 etot -5.5107E+01 mv 6 0 15 121 0 - 4 e 347 88 etot -5.7094E+01 mv 6 0 3 42 0 - 4 e 442 82 etot -6.2428E+01 mv 6 0 3 95 0 f 183 880.5 31.5 - 4 e 305 60 etot -6.5575E+01 mv 6 0 5 190 0 c 5 310.0 1.0 - 4 e 598 62 etot -5.6332E+01 mv 6 0 10 181 0 - 4 e 104 108 etot -5.0618E+01 mv 6 0 6 55 0 c 55 3.9 0.0 - 4 e 851 66 etot -6.6111E+01 mv 6 0 10 167 0 c 167 745.0 30.8 - 4 e 444 91 etot -5.4625E+01 mv 6 0 11 175 0 - 4 e 531 89 etot -5.5972E+01 mv 6 0 3 92 0 c 51 845.4 5.2 - 4 e 396 84 etot -5.8647E+01 mv 6 0 3 142 0 - 4 e 507 90 etot -4.0816E+01 mv 6 0 3 192 0 - 4 e 332 102 etot -5.0478E+01 mv 6 0 6 140 0 c 140 783.2 10.1 - 4 e 284 104 etot -4.7002E+01 mv 6 0 6 109 0 c 150 765.2 7.6 - -1 e 1 122 etot 1.3528E+20 mv 6 0 20 38 0 - 4 e 405 94 etot -5.9874E+01 mv 6 0 11 182 0 c 184 340.5 0.6 - 4 e 129 117 etot -4.4098E+01 mv 6 0 17 133 0 - 4 e 555 93 etot -5.4064E+01 mv 6 0 11 84 0 f 182 992.9 22.9 - 4 e 685 68 etot -6.4025E+01 mv 6 0 10 138 0 c 10 617.8 4.6 - 4 e 466 100 etot -4.1641E+01 mv 6 0 11 178 0 f 181 1029.0 10.2 - 4 e 515 97 etot -5.2026E+01 mv 6 0 11 1 0 - 4 e 144 118 etot -4.7195E+01 mv 6 0 17 90 0 - 4 e 489 101 etot -5.3418E+01 mv 6 0 6 133 0 f 180 863.6 21.6 - 4 e 299 115 etot -5.7487E+01 mv 6 0 17 46 0 - 4 e 290 116 etot -2.2711E+01 mv 6 0 17 197 0 - 4 e 414 106 etot -4.9604E+01 mv 6 0 6 31 0 f 179 1041.2 17.5 - 4 e 230 120 etot -3.4974E+01 mv 6 0 17 164 0 f 178 938.0 2.8 - 4 e 148 113 etot -5.5829E+01 mv 6 0 17 106 0 - 4 e 196 126 etot -5.2217E+01 mv 6 0 20 140 0 - 4 e 525 111 etot -5.6047E+01 mv 6 0 17 51 0 c 54 669.7 5.4 - 4 e 201 130 etot -5.6237E+01 mv 6 0 20 181 0 - 4 e 568 107 etot -5.1486E+01 mv 6 0 6 133 0 f 177 969.2 18.4 - 4 e 746 99 etot -6.3489E+01 mv 6 0 11 161 0 c 184 838.7 3.6 - 4 e 562 48 etot -5.6361E+01 mv 6 0 7 75 0 - 4 e 189 132 etot -4.6140E+01 mv 6 0 21 170 0 - 4 e 336 123 etot -5.1708E+01 mv 6 0 20 186 0 - 4 e 263 128 etot -5.5984E+01 mv 6 0 20 48 0 - 4 e 539 110 etot -6.6242E+01 mv 6 0 6 12 0 c 6 418.9 5.2 - 4 e 241 131 etot -4.3381E+01 mv 6 0 21 179 0 f 176 999.0 10.1 - 4 e 360 121 etot -4.2982E+01 mv 6 0 20 33 0 - 4 e 338 124 etot -6.0102E+01 mv 6 0 20 81 0 c 20 398.8 3.2 - 4 e 637 105 etot -6.1467E+01 mv 6 0 6 200 0 c 24 617.9 5.1 - 4 e 320 129 etot -5.5755E+01 mv 6 0 20 10 0 - 4 e 77 141 etot -4.3452E+01 mv 6 0 24 121 0 c 121 91.6 1.0 - 4 e 184 137 etot -5.6767E+01 mv 6 0 21 66 0 c 21 5.2 0.0 - -1 e 1 153 etot 1.3528E+20 mv 6 0 29 55 0 - 4 e 398 125 etot -5.2363E+01 mv 6 0 20 155 0 - 4 e 684 109 etot -6.2938E+01 mv 6 0 6 68 0 f 175 1024.7 29.2 - 4 e 255 135 etot -5.1179E+01 mv 6 0 21 66 0 - 4 e 569 112 etot -6.3483E+01 mv 6 0 17 23 0 c 23 485.4 7.1 - 4 e 189 140 etot -5.8984E+01 mv 6 0 21 10 0 - 4 e 153 149 etot -5.6582E+01 mv 6 0 24 56 0 - 4 e 162 147 etot -4.9149E+01 mv 6 0 24 125 0 - 4 e 194 146 etot -4.5683E+01 mv 6 0 24 48 0 f 174 907.5 11.8 - 4 e 243 139 etot -4.7115E+01 mv 6 0 21 170 0 - 4 e 406 133 etot -4.2385E+01 mv 6 0 21 185 0 f 173 956.3 8.1 - 4 e 242 144 etot -5.0304E+01 mv 6 0 24 138 0 f 172 932.8 15.7 - 4 e 356 127 etot -4.0211E+01 mv 6 0 20 94 0 f 178 1226.1 5.2 - 4 e 446 134 etot -5.9427E+01 mv 6 0 21 97 0 f 171 961.8 24.4 - 4 e 229 150 etot -5.6115E+01 mv 6 0 24 110 0 c 101 779.1 11.5 - 4 e 103 162 etot -4.4369E+01 mv 6 0 39 108 0 c 108 3.2 0.0 - 4 e 229 154 etot -4.6577E+01 mv 6 0 29 137 0 - 4 e 587 114 etot -5.5464E+01 mv 6 0 17 76 0 f 170 867.5 20.3 - 4 e 267 156 etot -4.6781E+01 mv 6 0 29 116 0 - 4 e 292 152 etot -5.4255E+01 mv 6 0 29 174 0 f 169 1128.2 19.0 - 4 e 214 159 etot -4.1391E+01 mv 6 0 29 90 0 - 4 e 477 138 etot -6.3650E+01 mv 6 0 21 59 0 c 171 827.8 4.2 - 4 e 159 142 etot -4.8821E+01 mv 6 0 24 136 0 - 4 e 188 136 etot -6.0689E+01 mv 6 0 21 137 0 c 21 369.9 3.9 - 4 e 416 151 etot -6.1226E+01 mv 6 0 29 76 0 c 29 501.8 6.4 - 4 e 277 164 etot -4.4360E+01 mv 6 0 39 109 0 c 109 40.5 0.0 - 4 e 511 145 etot -6.0227E+01 mv 6 0 24 62 0 - 4 e 517 148 etot -5.7329E+01 mv 6 0 24 107 0 - 4 e 488 86 etot -5.7708E+01 mv 6 0 3 184 0 - 4 e 289 165 etot -6.1567E+01 mv 6 0 39 68 0 f 168 906.9 26.4 - 4 e 572 143 etot -5.5307E+01 mv 6 0 24 23 0 c 160 630.5 17.8 - 4 e 331 158 etot -5.0676E+01 mv 6 0 29 76 0 - 4 e 637 119 etot -5.9260E+01 mv 6 0 17 104 0 f 166 886.1 23.3 - 4 e 337 161 etot -5.3635E+01 mv 6 0 39 83 0 c 39 255.8 0.3 - 4 e 444 103 etot -6.1032E+01 mv 6 0 6 193 0 - 4 e 377 169 etot -4.9813E+01 mv 6 0 39 3 0 - 4 e 295 174 etot -2.8405E+01 mv 6 0 30 163 0 - 4 e 414 167 etot -5.8691E+01 mv 6 0 39 107 0 f 165 925.5 22.6 - 4 e 151 184 etot -5.4926E+01 mv 6 0 35 90 0 c 35 350.1 1.1 - 4 e 154 185 etot -6.0015E+01 mv 6 0 35 114 0 c 35 542.0 5.1 - 4 e 204 179 etot -4.8473E+01 mv 6 0 30 58 0 - 4 e 425 170 etot -5.3377E+01 mv 6 0 39 98 0 - 4 e 233 181 etot -3.7470E+01 mv 6 0 35 196 0 - 4 e 79 190 etot -3.5282E+01 mv 6 0 35 196 0 - 4 e 140 187 etot -4.4264E+01 mv 6 0 35 94 0 - 4 e 549 163 etot -5.6712E+01 mv 6 0 39 76 0 c 39 544.2 3.1 - 4 e 639 155 etot -5.9676E+01 mv 6 0 29 34 0 - 4 e 107 189 etot -4.3945E+01 mv 6 0 35 177 0 f 164 1014.9 7.2 - 4 e 303 171 etot -4.2438E+01 mv 6 0 30 40 0 - 4 e 164 186 etot -4.7098E+01 mv 6 0 35 19 0 - 4 e 683 157 etot -5.6179E+01 mv 6 0 29 165 0 - 4 e 337 178 etot -3.6745E+01 mv 6 0 30 69 0 - 4 e 451 173 etot -5.8194E+01 mv 6 0 30 40 0 c 30 194.8 3.4 - 4 e 659 160 etot -5.9434E+01 mv 6 0 29 67 0 f 163 855.1 22.6 - 4 e 132 177 etot -5.9349E+01 mv 6 0 30 35 0 - 4 e 357 183 etot -4.7296E+01 mv 6 0 35 138 0 - 4 e 591 168 etot -6.1497E+01 mv 6 0 39 8 0 c 8 352.6 0.8 - 4 e 437 172 etot -6.0238E+01 mv 6 0 30 191 0 f 162 987.8 23.4 - 4 e 231 194 etot -5.2493E+01 mv 6 0 41 119 0 - -1 e 1 212 etot 1.3528E+20 mv 2 0 -8 -177 0 - 4 e 210 198 etot -4.9724E+01 mv 6 0 41 60 0 f 161 971.2 12.5 - 4 e 241 195 etot -5.0672E+01 mv 6 0 41 58 0 c 58 228.5 0.4 - 4 e 277 193 etot -5.5362E+01 mv 6 0 41 40 0 c 41 715.3 2.9 - 4 e 144 203 etot -4.1177E+01 mv 2 0 -150 -151 0 - 4 e 197 205 etot -3.6698E+01 mv 2 0 -154 -169 0 - 4 e 127 208 etot -4.0499E+01 mv 2 0 -142 -103 0 c 142 284.9 0.2 - 4 e 141 209 etot -4.1871E+01 mv 2 0 -144 -125 0 c 144 274.2 2.0 - 4 e 613 175 etot -5.9410E+01 mv 6 0 30 142 0 c 30 348.6 1.2 - 4 e 209 188 etot -5.5657E+01 mv 6 0 35 93 0 - 4 e 247 207 etot -4.2264E+01 mv 2 0 -81 -49 0 - -1 e 1 223 etot 1.3528E+20 mv 2 0 -3 -66 0 - 4 e 583 166 etot -5.7066E+01 mv 6 0 39 3 0 c 39 714.2 0.4 - 4 e 234 210 etot -4.2035E+01 mv 2 0 -137 -146 0 - 4 e 266 182 etot -4.3069E+01 mv 6 0 35 167 0 f 158 1114.5 5.2 - 4 e 439 192 etot -6.2004E+01 mv 6 0 41 180 0 c 41 693.7 6.6 - 4 e 156 216 etot -3.0461E+01 mv 2 0 -153 -147 0 - 4 e 361 204 etot -5.2419E+01 mv 2 0 -63 -181 0 c 63 641.3 2.5 - 4 e 226 214 etot -3.8819E+01 mv 2 0 -157 -188 0 - 4 e 448 197 etot -5.2168E+01 mv 6 0 41 118 0 - 4 e 467 200 etot -4.5765E+01 mv 6 0 41 139 0 f 156 1035.0 7.6 - 4 e 718 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167 388 etot -3.8721E+01 mv 1 0 -85 -108 0 - 4 e 350 375 etot -5.0408E+01 mv 1 0 -78 -69 0 - -1 e 1 398 etot 1.3528E+20 mv 1 0 -64 -38 0 - 4 e 550 364 etot -5.0796E+01 mv 1 0 -56 -171 0 c 56 70.7 0.3 - 4 e 264 386 etot -3.6049E+01 mv 1 0 -170 -33 0 - 4 e 369 376 etot -4.9292E+01 mv 1 0 -139 -38 0 - 4 e 500 365 etot -5.2824E+01 mv 1 0 -79 -158 0 c 79 180.4 4.7 - 4 e 366 368 etot -5.8574E+01 mv 1 0 -3 -153 0 - 4 e 211 390 etot -5.2194E+01 mv 1 0 -44 -23 0 c 44 242.9 0.3 - 4 e 505 353 etot -4.6119E+01 mv 1 0 -182 -142 0 c 134 726.6 2.2 - 4 e 362 378 etot -6.3501E+01 mv 1 0 -5 -43 0 - 4 e 280 389 etot -3.7200E+01 mv 1 0 -165 -4 0 - 4 e 454 362 etot -3.6280E+01 mv 1 0 -167 -171 0 - 4 e 122 403 etot -6.0069E+01 mv 0 0 8 0 0 - 4 e 132 401 etot -5.1183E+01 mv 0 0 49 0 0 c 195 436.0 0.0 - 4 e 461 379 etot -4.3655E+01 mv 1 0 -166 -53 0 f 126 864.7 1.7 - 4 e 145 402 etot -6.9252E+01 mv 0 0 1 0 0 - 4 e 637 367 etot -7.1742E+01 mv 1 0 -21 -177 0 f 125 1010.3 29.8 - 4 e 162 411 etot -6.1033E+01 mv 0 0 6 0 0 - 4 e 217 397 etot -5.0565E+01 mv 1 0 -56 -145 0 - 4 e 636 377 etot -5.7896E+01 mv 1 0 -75 -137 0 f 186 869.8 15.8 - 4 e 312 395 etot -4.3679E+01 mv 1 0 -107 -148 0 - 4 e 233 405 etot -6.0398E+01 mv 0 0 7 0 0 c 7 19.0 0.0 - 4 e 399 396 etot -2.3933E+01 mv 1 0 -194 -14 0 -## N0 total= 5 close= 2 far= 0 %acc 40.0 -## N1 total= 88 close= 19 far= 9 %acc 31.8 -## N2 total= 100 close= 29 far= 19 %acc 48.0 -## N3 total= 0 close= 0 far= 0 %acc 0.0 -## N4 total= 0 close= 0 far= 0 %acc 0.0 -## N5 total= 0 close= 0 far= 0 %acc 0.0 -## N6 total= 196 close= 64 far= 43 %acc 54.6 -## N7 total= 0 close= 0 far= 0 %acc 0.0 -## N8 total= 0 close= 0 far= 0 %acc 0.0 -## N9 total= 0 close= 0 far= 0 %acc 0.0 -##N10 total= 0 close= 0 far= 0 %acc 0.0 -##N11 total= 0 close= 0 far= 0 %acc 0.0 -##N12 total= 0 close= 0 far= 0 %acc 0.0 -##N13 total= 0 close= 0 far= 0 %acc 0.0 -##N14 total= 0 close= 0 far= 0 %acc 0.0 -##N15 total= 0 close= 0 far= 0 %acc 0.0 -##N16 total= 0 close= 0 far= 0 %acc 0.0 -##N17 total= 0 close= 0 far= 0 %acc 0.0 -##N18 total= 0 close= 0 far= 0 %acc 0.0 - Time for refresh 1 0.54 - make_var : nseed= 20 ntry= 420 - Time for make trial 2 0.04 -Nonsetup time 4.42 sec, Eval/s = 64504.30 -Time for iter 2 2.35 sec, Eval/s = 63080.36 - UPDATING 420 - 4 e 100 415 etot -5.6366E+01 mv 0 0 24 0 0 - 4 e 117 416 etot -5.4831E+01 mv 0 0 29 0 0 - 4 e 122 417 etot -5.3318E+01 mv 0 0 39 0 0 - 4 e 640 400 etot -5.4178E+01 mv 1 0 -129 -44 0 f 133 983.8 12.0 - 4 e 131 418 etot -5.4756E+01 mv 0 0 30 0 0 - 4 e 58 419 etot -5.3794E+01 mv 0 0 35 0 0 - 4 e 279 7 etot -4.6245E+01 mv 6 0 49 7 0 - 4 e 149 420 etot -5.2512E+01 mv 0 0 41 0 0 - 4 e 106 414 etot -5.6767E+01 mv 0 0 21 0 0 - 4 e 115 412 etot -5.7692E+01 mv 0 0 17 0 0 - 4 e 150 410 etot -5.8988E+01 mv 0 0 11 0 0 - 4 e 513 392 etot -5.0810E+01 mv 1 0 -12 -148 0 - -1 e 1 7 etot 1.3528E+20 mv 6 1 120 93 0 - 4 e 444 399 etot -3.7486E+01 mv 1 0 -191 -171 0 - 4 e 678 373 etot -5.3523E+01 mv 1 0 -174 -164 0 f 157 1044.6 11.3 - 4 e 382 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-5.9130E+01 mv 2 1 6 -196 0 - 4 e 550 280 etot -5.7824E+01 mv 2 1 24 -41 0 - 4 e 351 296 etot -5.6223E+01 mv 2 1 20 -89 0 - 4 e 372 294 etot -5.6545E+01 mv 2 1 162 -55 0 - 4 e 755 261 etot -6.6498E+01 mv 2 1 41 -160 0 c 41 309.7 1.6 - 4 e 307 290 etot -4.2906E+01 mv 2 1 29 -152 0 - 4 e 308 291 etot -4.8421E+01 mv 2 1 162 -44 0 - 4 e 673 268 etot -6.7712E+01 mv 2 1 179 -105 0 c 179 650.5 0.8 - 4 e 317 305 etot -4.5008E+01 mv 1 1 120 -173 0 - 4 e 396 302 etot -5.0081E+01 mv 1 1 120 -169 0 c 91 682.5 0.8 - 4 e 551 288 etot -6.2611E+01 mv 2 1 29 -102 0 c 29 443.3 0.2 - 4 e 270 308 etot -7.1745E+01 mv 1 1 125 -25 0 - 4 e 717 273 etot -7.0750E+01 mv 2 1 192 -35 0 c 192 615.8 1.1 - 4 e 708 282 etot -7.1034E+01 mv 2 1 6 -122 0 c 6 625.8 3.9 - 4 e 257 306 etot -7.1745E+01 mv 1 1 125 -101 0 - 4 e 193 320 etot -6.8410E+01 mv 1 1 194 -106 0 c 150 544.2 9.1 - 4 e 562 295 etot -6.6039E+01 mv 2 1 162 -100 0 - 4 e 474 286 etot -6.1805E+01 mv 2 1 29 -22 0 - 4 e 335 304 etot -4.5009E+01 mv 1 1 120 -1 0 - 4 e 271 315 etot -6.6115E+01 mv 1 1 167 -173 0 - -1 e 1 336 etot 1.3528E+20 mv 1 1 30 -20 0 - 4 e 544 301 etot -5.2489E+01 mv 1 1 120 -167 0 - 4 e 267 317 etot -6.8322E+01 mv 1 1 194 -62 0 - 4 e 389 309 etot -7.0519E+01 mv 1 1 125 -7 0 - 4 e 216 326 etot -6.6281E+01 mv 1 1 190 -102 0 - 4 e 383 313 etot -5.0231E+01 mv 1 1 167 -43 0 - 4 e 429 303 etot -4.5900E+01 mv 1 1 120 -19 0 - 4 e 522 307 etot -6.8169E+01 mv 1 1 125 -197 0 - 4 e 348 318 etot -6.7227E+01 mv 1 1 194 -115 0 - 4 e 500 292 etot -6.6255E+01 mv 2 1 162 -103 0 - 4 e 378 316 etot -6.6571E+01 mv 1 1 194 -59 0 - 4 e 329 327 etot -5.4996E+01 mv 1 1 190 -3 0 - 4 e 138 335 etot -5.1429E+01 mv 1 1 105 -82 0 f 173 844.3 4.0 - 4 e 301 328 etot -6.0609E+01 mv 1 1 190 -158 0 - 4 e 512 310 etot -7.2840E+01 mv 1 1 125 -191 0 c 124 288.7 0.6 - 4 e 415 322 etot -6.5593E+01 mv 1 1 2 -17 0 - 4 e 481 319 etot -6.8525E+01 mv 1 1 194 -134 0 c 150 129.5 0.1 - 4 e 335 331 etot -6.7439E+01 mv 1 1 105 -62 0 c 173 641.4 16.0 - 4 e 520 321 etot -6.0981E+01 mv 1 1 2 -10 0 - 4 e 401 329 etot -6.5424E+01 mv 1 1 190 -30 0 - 4 e 629 312 etot -5.2362E+01 mv 1 1 167 -129 0 - 4 e 330 339 etot -4.4988E+01 mv 1 1 30 -11 0 - 4 e 345 324 etot -5.9010E+01 mv 1 1 2 -62 0 - 4 e 142 351 etot -6.6657E+01 mv 1 1 189 -137 0 - 4 e 361 334 etot -6.5970E+01 mv 1 1 105 -124 0 - 4 e 432 330 etot -6.7955E+01 mv 1 1 190 -11 0 c 190 147.6 1.3 - 4 e 237 345 etot -6.3491E+01 mv 1 1 184 -185 0 - 4 e 650 314 etot -5.8924E+01 mv 1 1 167 -125 0 - 4 e 322 332 etot -6.1568E+01 mv 1 1 105 -11 0 - 4 e 359 346 etot -5.7585E+01 mv 1 1 142 -130 0 - 4 e 169 357 etot -4.8292E+01 mv 1 1 10 -29 0 f 116 856.8 0.8 - 4 e 178 355 etot -6.6657E+01 mv 1 1 189 -56 0 - 4 e 387 348 etot -5.7926E+01 mv 1 1 142 -17 0 - 4 e 216 359 etot -5.6048E+01 mv 1 1 10 -182 0 - 4 e 480 342 etot -6.5199E+01 mv 1 1 184 -16 0 - 4 e 364 352 etot -6.1007E+01 mv 1 1 189 -56 0 - -1 e 1 373 etot 1.3528E+20 mv 1 1 192 -184 0 - 4 e 627 311 etot -6.5927E+01 mv 1 1 167 -199 0 - 4 e 235 365 etot -6.2005E+01 mv 1 1 41 -70 0 - 4 e 333 356 etot -5.6557E+01 mv 1 1 10 -116 0 c 115 542.8 1.0 - 4 e 291 362 etot -5.5181E+01 mv 1 1 41 -145 0 f 90 842.3 7.5 - 4 e 128 366 etot -6.1101E+01 mv 1 1 179 -111 0 - 4 e 662 333 etot -6.6667E+01 mv 1 1 105 -92 0 - 4 e 649 340 etot -6.4471E+01 mv 1 1 30 -107 0 - 4 e 329 361 etot -6.2005E+01 mv 1 1 41 -87 0 - 4 e 568 343 etot -6.7111E+01 mv 1 1 184 -183 0 - 4 e 339 350 etot -6.2842E+01 mv 1 1 142 -53 0 - 4 e 235 360 etot -5.6286E+01 mv 1 1 10 -195 0 - 4 e 720 337 etot -6.1721E+01 mv 1 1 30 -31 0 c 68 552.6 4.8 - 4 e 609 323 etot -7.2672E+01 mv 1 1 2 -139 0 c 87 532.6 9.0 - 4 e 878 325 etot -7.6549E+01 mv 1 1 2 -90 0 c 87 628.8 3.9 - 4 e 377 364 etot -5.5838E+01 mv 1 1 41 -194 0 c 90 309.8 0.7 - 4 e 582 349 etot -6.1306E+01 mv 1 1 142 -85 0 - 4 e 530 353 etot -6.2339E+01 mv 1 1 189 -99 0 - 4 e 739 341 etot -6.5910E+01 mv 1 1 184 -121 0 - 4 e 255 371 etot -5.5213E+01 mv 1 1 192 -126 0 - 4 e 483 358 etot -5.7894E+01 mv 1 1 10 -103 0 - 4 e 441 363 etot -6.5653E+01 mv 1 1 41 -171 0 - 4 e 311 369 etot -6.1815E+01 mv 1 1 179 -43 0 - 4 e 168 375 etot -6.1845E+01 mv 1 1 192 -184 0 - 4 e 538 344 etot -5.7557E+01 mv 1 1 184 -75 0 - 4 e 604 338 etot -5.4758E+01 mv 1 1 30 -8 0 - 4 e 230 381 etot -5.8762E+01 mv 1 1 6 -96 0 - 4 e 424 368 etot -5.8427E+01 mv 1 1 179 -102 0 - 4 e 241 382 etot -5.4810E+01 mv 1 1 6 -133 0 - 4 e 339 376 etot -6.1237E+01 mv 1 1 24 -9 0 - 4 e 206 388 etot -6.2164E+01 mv 1 1 29 -151 0 f 82 1016.7 14.4 - 4 e 365 372 etot -6.1990E+01 mv 1 1 192 -116 0 - 4 e 570 347 etot -6.1604E+01 mv 1 1 142 -83 0 - 4 e 725 354 etot -6.8015E+01 mv 1 1 189 -57 0 - 4 e 446 370 etot -6.2117E+01 mv 1 1 179 -117 0 - 4 e 347 383 etot -5.2682E+01 mv 1 1 6 -174 0 - 4 e 274 390 etot -6.1226E+01 mv 1 1 29 -34 0 - 4 e 425 377 etot -5.7799E+01 mv 1 1 24 -97 0 - 4 e 122 402 etot -7.1745E+01 mv 0 1 125 0 0 - 4 e 349 386 etot -5.9923E+01 mv 1 1 29 -177 0 - 4 e 143 404 etot -6.8411E+01 mv 0 1 194 0 0 - 4 e 158 403 etot -6.6116E+01 mv 0 1 167 0 0 c 167 1.7 0.0 - 4 e 618 367 etot -7.0496E+01 mv 1 1 179 -154 0 f 155 856.3 22.7 - 4 e 119 407 etot -6.6424E+01 mv 0 1 105 0 0 - 4 e 469 380 etot -6.2187E+01 mv 1 1 24 -7 0 - 4 e 335 393 etot -5.3439E+01 mv 1 1 162 -89 0 - 4 e 368 389 etot -6.1725E+01 mv 1 1 29 -102 0 -## N0 total= 19 close= 3 far= 0 %acc 15.8 -## N1 total= 97 close= 14 far= 10 %acc 24.7 -## N2 total= 100 close= 18 far= 6 %acc 24.0 -## N3 total= 0 close= 0 far= 0 %acc 0.0 -## N4 total= 0 close= 0 far= 0 %acc 0.0 -## N5 total= 0 close= 0 far= 0 %acc 0.0 -## N6 total= 204 close= 55 far= 35 %acc 44.1 -## N7 total= 0 close= 0 far= 0 %acc 0.0 -## N8 total= 0 close= 0 far= 0 %acc 0.0 -## N9 total= 0 close= 0 far= 0 %acc 0.0 -##N10 total= 0 close= 0 far= 0 %acc 0.0 -##N11 total= 0 close= 0 far= 0 %acc 0.0 -##N12 total= 0 close= 0 far= 0 %acc 0.0 -##N13 total= 0 close= 0 far= 0 %acc 0.0 -##N14 total= 0 close= 0 far= 0 %acc 0.0 -##N15 total= 0 close= 0 far= 0 %acc 0.0 -##N16 total= 0 close= 0 far= 0 %acc 0.0 -##N17 total= 0 close= 0 far= 0 %acc 0.0 -##N18 total= 0 close= 0 far= 0 %acc 0.0 - Time for refresh 2 0.45 - make_var : nseed= 20 ntry= 420 - Time for make trial 3 0.08 -Nonsetup time 6.52 sec, Eval/s = 64325.68 -Time for iter 3 2.10 sec, Eval/s = 63949.47 - UPDATING 420 - 4 e 124 420 etot -6.0103E+01 mv 0 1 20 0 0 - 4 e 128 413 etot -6.2006E+01 mv 0 1 41 0 0 c 90 309.6 6.2 - 4 e 179 417 etot -6.6244E+01 mv 0 1 6 0 0 - 4 e 104 412 etot -6.4025E+01 mv 0 1 10 0 0 - 4 e 396 396 etot -5.7661E+01 mv 1 1 20 -88 0 - 4 e 587 395 etot -5.9927E+01 mv 1 1 162 -89 0 - 4 e 379 400 etot -6.0617E+01 mv 1 1 20 -182 0 - 4 e 137 415 etot -6.1563E+01 mv 0 1 192 0 0 - 4 e 95 418 etot -6.1227E+01 mv 0 1 29 0 0 - 4 e 131 409 etot -6.3491E+01 mv 0 1 184 0 0 - 4 e 114 411 etot -6.6657E+01 mv 0 1 189 0 0 - 4 e 407 416 etot -6.2637E+01 mv 0 1 24 0 0 - -1 e 1 6 etot 1.3528E+20 mv 6 2 11 144 0 - 4 e 643 378 etot -6.0863E+01 mv 1 1 24 -165 0 - 4 e 411 401 etot -4.5008E+01 mv 0 1 120 0 0 - 4 e 328 408 etot -6.4813E+01 mv 0 1 30 0 0 - 4 e 619 374 etot -6.7353E+01 mv 1 1 192 -25 0 - 4 e 126 410 etot -6.3096E+01 mv 0 1 142 0 0 - 4 e 149 414 etot -6.1801E+01 mv 0 1 179 0 0 - 4 e 151 419 etot -6.0240E+01 mv 0 1 162 0 0 - 4 e 375 392 etot -6.5679E+01 mv 1 1 162 -106 0 - 4 e 445 391 etot -5.3040E+01 mv 1 1 162 -106 0 - 4 e 502 394 etot -6.2135E+01 mv 1 1 162 -34 0 - 4 e 182 405 etot -6.7275E+01 mv 0 1 2 0 0 - -1 e 1 17 etot 1.3528E+20 mv 6 2 174 158 0 - 4 e 332 385 etot -5.1915E+01 mv 1 1 6 -178 0 f 178 886.2 4.1 - 4 e 315 397 etot -5.9275E+01 mv 1 1 20 -13 0 - 4 e 569 379 etot -6.2414E+01 mv 1 1 24 -98 0 - 4 e 286 399 etot -5.1627E+01 mv 1 1 20 -93 0 - 4 e 457 387 etot -4.6274E+01 mv 1 1 29 -154 0 - 4 e 130 406 etot -6.6699E+01 mv 0 1 190 0 0 - 4 e 351 398 etot -6.0615E+01 mv 1 1 20 -164 0 - 4 e 534 384 etot -5.7467E+01 mv 1 1 6 -107 0 c 178 627.2 5.6 - -1 e 1 11 etot 1.3528E+20 mv 6 2 174 130 0 - 8 e 14 25 etot -6.3994E+01 mv 6 2 105 90 0 - 4 e 135 15 etot -5.3076E+01 mv 6 2 174 31 0 f 149 976.7 5.2 - 4 e 155 4 etot -4.7919E+01 mv 6 2 11 141 0 f 118 835.4 0.1 - 4 e 148 7 etot -5.6682E+01 mv 6 2 11 193 0 c 193 187.2 1.9 - 4 e 131 24 etot -4.5977E+01 mv 6 2 105 72 0 - 4 e 175 9 etot -4.6237E+01 mv 6 2 11 53 0 - 4 e 148 35 etot -5.8429E+01 mv 6 2 150 187 0 c 187 2.3 0.0 - 4 e 178 12 etot -7.8592E+01 mv 6 2 174 184 0 - 4 e 190 16 etot -7.8592E+01 mv 6 2 174 95 0 - 4 e 207 32 etot -6.7285E+01 mv 6 2 150 90 0 - 4 e 208 2 etot -5.8065E+01 mv 6 2 11 53 0 c 53 422.8 3.5 - 4 e 216 19 etot -5.7517E+01 mv 6 2 174 95 0 c 95 40.6 0.5 - 4 e 230 10 etot -6.2171E+01 mv 6 2 11 55 0 c 11 35.6 0.1 - 4 e 246 30 etot -6.5872E+01 mv 6 2 105 83 0 - 4 e 238 14 etot -5.7683E+01 mv 6 2 174 64 0 c 64 559.5 7.8 - 4 e 82 44 etot -4.9724E+01 mv 6 2 155 161 0 c 161 1.4 0.0 - 4 e 301 18 etot -5.2741E+01 mv 6 2 174 30 0 - 4 e 165 36 etot -6.9671E+01 mv 6 2 150 105 0 c 150 24.9 1.1 - -1 e 1 52 etot 1.3528E+20 mv 6 2 2 130 0 - 4 e 324 3 etot -6.0534E+01 mv 6 2 11 183 0 - 4 e 230 38 etot -6.6330E+01 mv 6 2 150 195 0 - 4 e 335 8 etot -6.1952E+01 mv 6 2 11 5 0 - 4 e 352 22 etot -6.4092E+01 mv 6 2 105 148 0 c 26 702.7 9.0 - 4 e 448 5 etot -6.0267E+01 mv 6 2 11 2 0 - 4 e 201 42 etot -5.7299E+01 mv 6 2 155 108 0 - 4 e 387 20 etot -6.7227E+01 mv 6 2 174 78 0 - 4 e 388 21 etot -6.7871E+01 mv 6 2 105 14 0 - 4 e 422 33 etot -4.8695E+01 mv 6 2 150 77 0 c 77 246.6 0.5 - 4 e 518 13 etot -7.3272E+01 mv 6 2 174 141 0 - 4 e 163 53 etot -5.1269E+01 mv 6 2 2 51 0 - 4 e 289 40 etot -6.0555E+01 mv 6 2 150 8 0 - 4 e 264 47 etot -6.4704E+01 mv 6 2 155 12 0 - 4 e 306 41 etot -6.0043E+01 mv 6 2 155 133 0 - 4 e 514 37 etot -5.4685E+01 mv 6 2 150 133 0 f 118 967.2 6.8 - -1 e 1 68 etot 1.3528E+20 mv 6 2 191 84 0 - 4 e 259 55 etot -6.8343E+01 mv 6 2 2 72 0 - 4 e 282 45 etot -6.5404E+01 mv 6 2 155 199 0 - 4 e 320 49 etot -7.3131E+01 mv 6 2 155 78 0 f 80 796.6 25.0 - 4 e 529 34 etot -7.4572E+01 mv 6 2 150 97 0 c 150 418.7 4.9 - 4 e 219 56 etot -5.8204E+01 mv 6 2 2 42 0 - 4 e 199 54 etot -7.4609E+01 mv 6 2 2 122 0 c 2 363.4 4.2 - 4 e 352 28 etot -6.8744E+01 mv 6 2 105 93 0 - 4 e 139 65 etot -4.4528E+01 mv 6 2 191 28 0 - 4 e 571 31 etot -6.2639E+01 mv 6 2 150 74 0 f 81 844.9 14.5 - 4 e 494 39 etot -6.6734E+01 mv 6 2 150 109 0 f 153 823.3 18.5 - 4 e 212 64 etot -6.8247E+01 mv 6 2 191 180 0 - 4 e 676 23 etot -6.7617E+01 mv 6 2 105 194 0 c 156 719.9 8.6 - 4 e 211 60 etot -6.5035E+01 mv 6 2 2 150 0 - 4 e 375 46 etot -6.2505E+01 mv 6 2 155 169 0 - 4 e 350 58 etot -7.2947E+01 mv 6 2 2 192 0 c 192 557.3 2.2 - 4 e 314 51 etot -6.5312E+01 mv 6 2 2 141 0 - 4 e 377 48 etot -6.4449E+01 mv 6 2 155 148 0 c 26 640.1 0.4 - 4 e 390 57 etot -7.0856E+01 mv 6 2 2 192 0 - 4 e 170 72 etot -6.8047E+01 mv 6 2 162 132 0 - 4 e 358 29 etot -5.1273E+01 mv 6 2 105 137 0 c 137 282.8 2.0 - 4 e 359 26 etot -6.7600E+01 mv 6 2 105 172 0 - 4 e 405 59 etot -6.7324E+01 mv 6 2 2 31 0 - 4 e 225 70 etot -5.5141E+01 mv 6 2 191 135 0 c 135 401.0 3.1 - 4 e 203 73 etot -6.6959E+01 mv 6 2 162 195 0 - 4 e 231 69 etot -6.8280E+01 mv 6 2 191 77 0 - 4 e 395 61 etot -6.2500E+01 mv 6 2 191 4 0 - 4 e 195 77 etot -6.7894E+01 mv 6 2 162 121 0 - 4 e 152 84 etot -5.2047E+01 mv 6 2 190 125 0 f 116 910.2 3.8 - 4 e 179 83 etot -5.9253E+01 mv 6 2 190 154 0 c 154 236.1 1.4 - 4 e 217 79 etot -6.6199E+01 mv 6 2 162 29 0 - 4 e 437 27 etot -6.6764E+01 mv 6 2 105 162 0 c 19 695.7 9.6 - 4 e 435 50 etot -5.9726E+01 mv 6 2 155 57 0 f 99 1084.8 11.3 - -1 e 1 100 etot 1.3528E+20 mv 6 2 198 136 0 - 4 e 168 78 etot -6.7429E+01 mv 6 2 162 191 0 - 4 e 740 1 etot -6.9282E+01 mv 6 2 11 61 0 f 73 928.6 20.7 - 4 e 458 63 etot -5.4603E+01 mv 6 2 191 50 0 c 50 176.8 3.8 - -1 e 1 104 etot 1.3528E+20 mv 6 2 192 179 0 - 4 e 208 85 etot -6.9364E+01 mv 6 2 190 3 0 c 190 40.4 1.4 - 4 e 326 74 etot -5.9348E+01 mv 6 2 162 128 0 - 4 e 352 62 etot -7.8746E+01 mv 6 2 191 192 0 c 191 520.4 10.3 - 4 e 319 71 etot -5.0679E+01 mv 6 2 162 48 0 f 77 813.1 2.0 - 4 e 429 75 etot -5.8467E+01 mv 6 2 162 9 0 - 4 e 203 94 etot -5.7902E+01 mv 6 2 198 25 0 c 115 477.6 1.3 - 4 e 348 92 etot -6.0961E+01 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-187 0 - 4 e 374 374 etot -6.8588E+01 mv 1 2 189 -55 0 - 4 e 406 352 etot -6.2902E+01 mv 1 2 192 -169 0 - 4 e 213 385 etot -7.3161E+01 mv 1 2 125 -190 0 - 4 e 470 369 etot -6.0566E+01 mv 1 2 142 -165 0 - 4 e 86 402 etot -7.8675E+01 mv 0 2 174 0 0 - 4 e 295 376 etot -6.6200E+01 mv 1 2 41 -23 0 c 90 416.4 2.4 - 4 e 194 393 etot -4.4218E+01 mv 1 2 38 -31 0 - 4 e 150 401 etot -6.2102E+01 mv 0 2 11 0 0 - 4 e 249 392 etot -4.8728E+01 mv 1 2 38 -8 0 - 4 e 562 363 etot -6.8275E+01 mv 1 2 5 -62 0 c 5 266.0 0.3 - 4 e 264 388 etot -6.2958E+01 mv 1 2 23 -138 0 - 4 e 121 403 etot -6.9265E+01 mv 0 2 105 0 0 c 105 1.0 0.0 - 4 e 121 404 etot -6.8526E+01 mv 0 2 150 0 0 - 4 e 93 406 etot -7.0420E+01 mv 0 2 2 0 0 - 4 e 210 394 etot -6.4518E+01 mv 1 2 38 -114 0 c 38 101.3 1.4 - 4 e 94 407 etot -6.8466E+01 mv 0 2 191 0 0 - 4 e 95 405 etot -7.0498E+01 mv 0 2 155 0 0 c 155 2.2 0.0 -## N0 total= 23 close= 3 far= 0 %acc 13.0 -## N1 total= 97 close= 10 far= 3 %acc 13.4 -## N2 total= 100 close= 16 far= 6 %acc 22.0 -## N3 total= 0 close= 0 far= 0 %acc 0.0 -## N4 total= 0 close= 0 far= 0 %acc 0.0 -## N5 total= 0 close= 0 far= 0 %acc 0.0 -## N6 total= 200 close= 56 far= 29 %acc 42.5 -## N7 total= 0 close= 0 far= 0 %acc 0.0 -## N8 total= 0 close= 0 far= 0 %acc 0.0 -## N9 total= 0 close= 0 far= 0 %acc 0.0 -##N10 total= 0 close= 0 far= 0 %acc 0.0 -##N11 total= 0 close= 0 far= 0 %acc 0.0 -##N12 total= 0 close= 0 far= 0 %acc 0.0 -##N13 total= 0 close= 0 far= 0 %acc 0.0 -##N14 total= 0 close= 0 far= 0 %acc 0.0 -##N15 total= 0 close= 0 far= 0 %acc 0.0 -##N16 total= 0 close= 0 far= 0 %acc 0.0 -##N17 total= 0 close= 0 far= 0 %acc 0.0 -##N18 total= 0 close= 0 far= 0 %acc 0.0 - Time for refresh 3 0.52 - make_var : nseed= 20 ntry= 420 - Time for make trial 4 0.37 -Nonsetup time 9.10 sec, Eval/s = 60710.47 -Time for iter 4 2.58 sec, Eval/s = 51587.68 - UPDATING 420 - 4 e 602 387 etot -7.0241E+01 mv 1 2 23 -191 0 c 77 347.8 6.4 - 4 e 542 390 etot -6.1429E+01 mv 1 2 23 -84 0 - 4 e 486 379 etot -6.0663E+01 mv 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6 3 153 20 0 - 4 e 186 144 etot -4.8176E+01 mv 6 3 85 110 0 - 4 e 472 120 etot -4.7271E+01 mv 6 3 5 200 0 - 4 e 433 126 etot -5.8948E+01 mv 6 3 198 12 0 - -1 e 1 164 etot 1.3528E+20 mv 6 3 173 89 0 - 4 e 498 47 etot -7.0021E+01 mv 6 3 148 130 0 - 4 e 569 116 etot -6.8393E+01 mv 6 3 5 2 0 c 158 598.9 4.7 - 4 e 234 141 etot -5.7322E+01 mv 6 3 85 22 0 f 45 866.6 3.7 - 4 e 149 153 etot -5.3572E+01 mv 6 3 90 37 0 - -1 e 1 168 etot 1.3528E+20 mv 6 3 173 187 0 - 4 e 149 157 etot -5.7835E+01 mv 6 3 90 13 0 f 75 912.8 4.2 - -1 e 1 170 etot 1.3528E+20 mv 6 3 173 120 0 - 4 e 388 133 etot -5.8789E+01 mv 6 3 153 60 0 - 4 e 270 142 etot -5.4163E+01 mv 6 3 85 166 0 f 36 804.7 0.5 - 4 e 541 101 etot -5.7628E+01 mv 6 3 162 160 0 f 52 924.7 3.9 - 4 e 388 82 etot -5.4997E+01 mv 6 3 190 111 0 - 4 e 325 143 etot -6.7727E+01 mv 6 3 85 157 0 f 182 887.6 13.7 - 4 e 334 94 etot -6.5975E+01 mv 6 3 184 167 0 - 4 e 243 159 etot -5.0862E+01 mv 6 3 90 11 0 - 4 e 284 155 etot -5.7998E+01 mv 6 3 90 144 0 f 61 848.0 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etot -6.3982E+01 mv 1 3 189 -160 0 - 4 e 218 311 etot -7.2064E+01 mv 1 3 172 -25 0 - 4 e 279 314 etot -7.1856E+01 mv 1 3 172 -43 0 - 4 e 533 287 etot -5.0088E+01 mv 2 3 196 -115 0 - 4 e 424 308 etot -7.0397E+01 mv 1 3 191 -143 0 - 4 e 510 305 etot -5.6351E+01 mv 1 3 92 -165 0 - 4 e 366 315 etot -7.0372E+01 mv 1 3 172 -73 0 - 4 e 472 299 etot -6.1356E+01 mv 2 3 24 -153 0 - 4 e 179 333 etot -6.0523E+01 mv 1 3 6 -18 0 - 4 e 576 298 etot -7.0267E+01 mv 2 3 24 -6 0 c 169 655.1 5.6 - 4 e 194 324 etot -5.8696E+01 mv 1 3 148 -161 0 - 4 e 613 304 etot -5.5558E+01 mv 1 3 92 -84 0 - 4 e 187 330 etot -7.8813E+01 mv 1 3 174 -120 0 - 4 e 188 331 etot -7.1035E+01 mv 1 3 6 -1 0 - 4 e 448 317 etot -7.2683E+01 mv 1 3 189 -37 0 - 4 e 208 339 etot -5.9337E+01 mv 1 3 142 -55 0 - 4 e 387 319 etot -7.0056E+01 mv 1 3 189 -196 0 - 4 e 358 329 etot -7.8556E+01 mv 1 3 174 -146 0 - 4 e 292 338 etot -5.4208E+01 mv 1 3 142 -70 0 - 4 e 166 340 etot -5.2473E+01 mv 1 3 142 -64 0 - 4 e 406 326 etot -7.2767E+01 mv 1 3 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-6.0119E+01 mv 1 3 162 -144 0 - 4 e 255 354 etot -6.8498E+01 mv 1 3 162 -70 0 c 162 218.2 0.2 - 4 e 693 318 etot -7.0585E+01 mv 1 3 189 -93 0 - 4 e 425 332 etot -7.0566E+01 mv 1 3 6 -184 0 - 4 e 627 337 etot -6.6605E+01 mv 1 3 142 -75 0 - 8 e 499 343 etot -4.8899E+01 mv 1 3 190 -107 0 - 4 e 224 367 etot -6.6750E+01 mv 1 3 153 -49 0 - 4 e 312 359 etot -5.8966E+01 mv 1 3 5 -148 0 - 4 e 298 349 etot -6.6169E+01 mv 1 3 184 -196 0 - 4 e 304 364 etot -6.8188E+01 mv 1 3 198 -94 0 c 198 2.8 0.0 - 4 e 225 369 etot -6.5278E+01 mv 1 3 153 -101 0 - -1 e 1 387 etot 1.3528E+20 mv 1 3 196 -138 0 - 4 e 267 368 etot -6.6736E+01 mv 1 3 153 -147 0 - 4 e 369 361 etot -6.2337E+01 mv 1 3 198 -47 0 - 4 e 260 370 etot -6.3661E+01 mv 1 3 153 -109 0 - 4 e 339 350 etot -7.1648E+01 mv 1 3 184 -169 0 - 4 e 404 357 etot -6.7287E+01 mv 1 3 5 -26 0 - 4 e 355 366 etot -6.8184E+01 mv 1 3 153 -37 0 - 4 e 469 353 etot -6.3419E+01 mv 1 3 162 -193 0 - 4 e 285 360 etot -6.7200E+01 mv 1 3 5 -33 0 - 4 e 301 373 etot -5.6326E+01 mv 1 3 85 -43 0 - 4 e 315 356 etot -6.8276E+01 mv 1 3 5 -99 0 - 4 e 271 376 etot -6.1224E+01 mv 1 3 90 -68 0 - -1 e 1 399 etot 1.3528E+20 mv 1 3 24 -190 0 - 4 e 313 365 etot -6.8188E+01 mv 1 3 198 -128 0 c 198 1.8 0.0 - 4 e 330 375 etot -6.6324E+01 mv 1 3 85 -93 0 - 4 e 195 386 etot -5.3473E+01 mv 1 3 196 -61 0 - 4 e 473 347 etot -6.0907E+01 mv 1 3 184 -192 0 c 149 643.7 0.3 - 4 e 168 391 etot -5.9037E+01 mv 1 3 1 -58 0 - 4 e 248 381 etot -6.6423E+01 mv 1 3 173 -30 0 - 4 e 685 348 etot -6.4449E+01 mv 1 3 184 -129 0 - 4 e 534 358 etot -6.8341E+01 mv 1 3 5 -189 0 - 4 e 229 388 etot -6.4970E+01 mv 1 3 196 -122 0 - 4 e 199 390 etot -6.5077E+01 mv 1 3 196 -181 0 - 4 e 373 378 etot -6.1224E+01 mv 1 3 90 -156 0 - 4 e 107 402 etot -7.9622E+01 mv 0 3 191 0 0 - 4 e 398 379 etot -6.2410E+01 mv 1 3 90 -151 0 - 4 e 75 406 etot -7.8813E+01 mv 0 3 174 0 0 - 4 e 91 407 etot -7.1035E+01 mv 0 3 6 0 0 - 4 e 328 383 etot -6.3878E+01 mv 1 3 173 -92 0 - 4 e 111 403 etot -7.2064E+01 mv 0 3 172 0 0 - 4 e 101 405 etot -7.5510E+01 mv 0 3 148 0 0 - 4 e 99 408 etot -6.9383E+01 mv 0 3 142 0 0 - 4 e 84 409 etot -6.9364E+01 mv 0 3 190 0 0 c 37 0.9 0.0 -## N0 total= 20 close= 3 far= 0 %acc 15.0 -## N1 total= 100 close= 7 far= 1 %acc 8.0 -## N2 total= 100 close= 14 far= 2 %acc 16.0 -## N3 total= 0 close= 0 far= 0 %acc 0.0 -## N4 total= 0 close= 0 far= 0 %acc 0.0 -## N5 total= 0 close= 0 far= 0 %acc 0.0 -## N6 total= 200 close= 40 far= 34 %acc 37.0 -## N7 total= 0 close= 0 far= 0 %acc 0.0 -## N8 total= 0 close= 0 far= 0 %acc 0.0 -## N9 total= 0 close= 0 far= 0 %acc 0.0 -##N10 total= 0 close= 0 far= 0 %acc 0.0 -##N11 total= 0 close= 0 far= 0 %acc 0.0 -##N12 total= 0 close= 0 far= 0 %acc 0.0 -##N13 total= 0 close= 0 far= 0 %acc 0.0 -##N14 total= 0 close= 0 far= 0 %acc 0.0 -##N15 total= 0 close= 0 far= 0 %acc 0.0 -##N16 total= 0 close= 0 far= 0 %acc 0.0 -##N17 total= 0 close= 0 far= 0 %acc 0.0 -##N18 total= 0 close= 0 far= 0 %acc 0.0 - Time for refresh 4 0.84 - make_var : nseed= 20 ntry= 420 - Time for make trial 5 0.22 -Nonsetup time 11.77 sec, Eval/s = 58588.91 -Time for iter 5 2.67 sec, Eval/s = 51365.05 - UPDATING 420 - 4 e 127 420 etot -6.4706E+01 mv 0 3 24 0 0 - 4 e 205 415 etot -6.6325E+01 mv 0 3 85 0 0 - 4 e 152 410 etot -7.1649E+01 mv 0 3 184 0 0 - 4 e 509 377 etot -6.1117E+01 mv 1 3 90 -198 0 - 4 e 281 389 etot -6.5077E+01 mv 1 3 196 -80 0 - 4 e 119 414 etot -6.6736E+01 mv 0 3 153 0 0 - 4 e 114 419 etot -6.9413E+01 mv 0 3 1 0 0 - 4 e 556 372 etot -6.8037E+01 mv 1 3 85 -189 0 - 4 e 459 382 etot -6.1520E+01 mv 1 3 173 -83 0 - 4 e 116 418 etot -6.5077E+01 mv 0 3 196 0 0 - 4 e 154 416 etot -6.6201E+01 mv 0 3 90 0 0 - 4 e 705 397 etot -6.7260E+01 mv 1 3 24 -187 0 - 4 e 304 400 etot -6.4705E+01 mv 1 3 24 -191 0 - 4 e 656 371 etot -5.6957E+01 mv 1 3 85 -50 0 - 4 e 137 411 etot -6.8280E+01 mv 0 3 162 0 0 - 4 e 543 395 etot -6.3286E+01 mv 1 3 1 -90 0 - 4 e 579 374 etot -6.1551E+01 mv 1 3 85 -190 0 f 31 765.2 6.9 - 4 e 557 384 etot -6.2780E+01 mv 1 3 173 -102 0 - -1 e 1 11 etot 1.3528E+20 mv 6 4 148 139 0 - 4 e 123 413 etot -6.8188E+01 mv 0 3 198 0 0 c 198 1.5 0.0 - 4 e 281 394 etot -6.9412E+01 mv 1 3 1 -155 0 - 4 e 114 412 etot -6.8277E+01 mv 0 3 5 0 0 - 4 e 143 417 etot -6.7440E+01 mv 0 3 173 0 0 - 4 e 524 393 etot -6.5879E+01 mv 1 3 1 -19 0 - 4 e 660 363 etot -6.7770E+01 mv 1 3 198 -165 0 - 4 e 295 396 etot -6.4705E+01 mv 1 3 24 -161 0 - 4 e 491 380 etot -7.1083E+01 mv 1 3 90 -38 0 c 90 448.2 4.6 - 4 e 313 385 etot -6.6645E+01 mv 1 3 173 -86 0 - -1 e 1 22 etot 1.3528E+20 mv 6 4 142 155 0 - 4 e 116 404 etot -7.3754E+01 mv 0 3 189 0 0 c 189 1.1 0.0 - 4 e 325 392 etot -5.6194E+01 mv 1 3 1 -141 0 f 86 747.3 1.5 - 8 e 170 398 etot -6.3988E+01 mv 1 3 24 -87 0 - 4 e 120 401 etot -5.3284E+01 mv 0 3 92 0 0 - -1 e 1 28 etot 1.3528E+20 mv 6 4 142 180 0 - 4 e 119 7 etot -5.4855E+01 mv 6 4 195 109 0 c 109 2.8 0.0 - 4 e 150 3 etot -6.2608E+01 mv 6 4 195 19 0 c 195 137.8 0.1 - 4 e 154 1 etot -5.7995E+01 mv 6 4 195 93 0 - 4 e 175 12 etot -5.9602E+01 mv 6 4 148 35 0 - 4 e 202 5 etot -6.2550E+01 mv 6 4 195 135 0 - 4 e 207 15 etot -4.8824E+01 mv 6 4 148 138 0 - 4 e 215 8 etot -6.2550E+01 mv 6 4 195 31 0 - 4 e 227 13 etot -7.4612E+01 mv 6 4 148 133 0 - 4 e 250 18 etot -7.5778E+01 mv 6 4 148 180 0 - 4 e 263 32 etot -7.6789E+01 mv 6 4 6 110 0 c 6 282.2 1.5 - -1 e 1 44 etot 1.3528E+20 mv 6 4 192 5 0 - 4 e 323 4 etot -5.3599E+01 mv 6 4 195 140 0 - 4 e 284 33 etot -5.6368E+01 mv 6 4 6 56 0 f 118 847.5 1.7 - 4 e 275 21 etot -7.4069E+01 mv 6 4 142 74 0 - 4 e 306 10 etot -5.9205E+01 mv 6 4 195 184 0 f 123 795.9 4.5 - 4 e 338 20 etot -5.9901E+01 mv 6 4 148 38 0 f 76 736.6 5.1 - 4 e 323 31 etot -6.9982E+01 mv 6 4 6 189 0 c 118 521.2 13.6 - 4 e 323 29 etot -6.6517E+01 mv 6 4 142 45 0 - 4 e 166 27 etot -7.5201E+01 mv 6 4 142 30 0 c 142 2.8 0.0 - 4 e 174 25 etot -6.1692E+01 mv 6 4 142 20 0 c 20 366.3 0.6 - 4 e 350 16 etot -6.4854E+01 mv 6 4 148 183 0 c 44 702.3 6.5 - 4 e 322 35 etot -7.5362E+01 mv 6 4 6 187 0 - 4 e 363 2 etot -5.8589E+01 mv 6 4 195 191 0 - 4 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313 etot -6.7222E+01 mv 1 4 142 -116 0 f 134 928.8 9.9 - 4 e 423 338 etot -6.0834E+01 mv 1 4 1 -95 0 - 4 e 256 350 etot -7.1585E+01 mv 1 4 41 -86 0 - 4 e 377 328 etot -6.1483E+01 mv 1 4 85 -169 0 - 4 e 222 356 etot -7.0122E+01 mv 1 4 169 -32 0 - 4 e 312 339 etot -7.2288E+01 mv 1 4 1 -177 0 c 1 2.5 0.1 - 4 e 409 344 etot -7.0438E+01 mv 1 4 172 -151 0 - 4 e 183 365 etot -6.9695E+01 mv 1 4 19 -74 0 - 4 e 394 347 etot -6.9851E+01 mv 1 4 41 -166 0 - 4 e 255 363 etot -5.7420E+01 mv 1 4 19 -154 0 - 4 e 368 351 etot -7.0065E+01 mv 1 4 23 -39 0 - 4 e 535 343 etot -7.1243E+01 mv 1 4 172 -94 0 - 4 e 242 367 etot -5.6532E+01 mv 1 4 131 -132 0 - 4 e 247 366 etot -7.1938E+01 mv 1 4 131 -85 0 - -1 e 1 383 etot 1.3528E+20 mv 1 4 199 -61 0 - 4 e 228 361 etot -6.9958E+01 mv 1 4 19 -57 0 c 19 162.4 0.2 - 4 e 622 342 etot -6.5907E+01 mv 1 4 172 -165 0 - 4 e 197 372 etot -6.2830E+01 mv 1 4 108 -191 0 - 4 e 395 360 etot -7.0068E+01 mv 1 4 169 -144 0 - 4 e 705 332 etot -6.5035E+01 mv 1 4 184 -6 0 f 111 838.2 7.7 - 4 e 489 352 etot -7.5050E+01 mv 1 4 23 -86 0 c 23 448.1 0.6 - 4 e 453 359 etot -6.8686E+01 mv 1 4 169 -120 0 - 4 e 290 371 etot -6.9449E+01 mv 1 4 108 -139 0 - 4 e 340 368 etot -6.6456E+01 mv 1 4 131 -118 0 - 4 e 339 354 etot -6.9582E+01 mv 1 4 23 -53 0 - 4 e 485 357 etot -7.0058E+01 mv 1 4 169 -24 0 - 4 e 214 380 etot -6.9364E+01 mv 1 4 37 -111 0 - 4 e 561 353 etot -6.7366E+01 mv 1 4 23 -62 0 - 4 e 424 348 etot -7.2549E+01 mv 1 4 41 -189 0 c 41 195.7 0.7 - -1 e 1 398 etot 1.3528E+20 mv 1 4 120 -40 0 - 4 e 226 379 etot -6.9252E+01 mv 1 4 37 -156 0 - 4 e 557 355 etot -7.5528E+01 mv 1 4 23 -158 0 c 23 274.3 0.5 - 4 e 608 358 etot -6.5802E+01 mv 1 4 169 -2 0 - 4 e 210 387 etot -5.9629E+01 mv 1 4 153 -89 0 - 4 e 591 362 etot -6.6139E+01 mv 1 4 19 -77 0 - 4 e 182 390 etot -6.8332E+01 mv 1 4 153 -156 0 - 4 e 469 370 etot -7.2126E+01 mv 1 4 131 -52 0 - 4 e 90 401 etot -6.2550E+01 mv 0 4 195 0 0 - 4 e 401 364 etot -6.9256E+01 mv 1 4 19 -26 0 - 4 e 471 374 etot -6.9620E+01 mv 1 4 108 -60 0 - 4 e 264 388 etot -6.7888E+01 mv 1 4 153 -172 0 - 4 e 332 382 etot -6.4069E+01 mv 1 4 199 -3 0 - 4 e 105 403 etot -7.5201E+01 mv 0 4 142 0 0 c 134 626.4 8.0 - 4 e 261 391 etot -6.8484E+01 mv 1 4 5 -161 0 - 4 e 485 376 etot -6.9363E+01 mv 1 4 37 -50 0 - 4 e 106 406 etot -6.9984E+01 mv 0 4 85 0 0 - 4 e 109 405 etot -7.3110E+01 mv 0 4 192 0 0 - 4 e 430 381 etot -6.9640E+01 mv 1 4 199 -48 0 - 4 e 18 416 etot -6.9364E+01 mv 0 4 37 0 0 c 37 0.0 0.0 - 4 e 133 404 etot -7.5309E+01 mv 0 4 6 0 0 - 4 e 435 369 etot -7.0689E+01 mv 1 4 131 -146 0 -## N0 total= 19 close= 4 far= 0 %acc 21.1 -## N1 total= 101 close= 11 far= 4 %acc 14.9 -## N2 total= 100 close= 9 far= 5 %acc 14.0 -## N3 total= 0 close= 0 far= 0 %acc 0.0 -## N4 total= 0 close= 0 far= 0 %acc 0.0 -## N5 total= 0 close= 0 far= 0 %acc 0.0 -## N6 total= 200 close= 47 far= 31 %acc 39.0 -## N7 total= 0 close= 0 far= 0 %acc 0.0 -## N8 total= 0 close= 0 far= 0 %acc 0.0 -## N9 total= 0 close= 0 far= 0 %acc 0.0 -##N10 total= 0 close= 0 far= 0 %acc 0.0 -##N11 total= 0 close= 0 far= 0 %acc 0.0 -##N12 total= 0 close= 0 far= 0 %acc 0.0 -##N13 total= 0 close= 0 far= 0 %acc 0.0 -##N14 total= 0 close= 0 far= 0 %acc 0.0 -##N15 total= 0 close= 0 far= 0 %acc 0.0 -##N16 total= 0 close= 0 far= 0 %acc 0.0 -##N17 total= 0 close= 0 far= 0 %acc 0.0 -##N18 total= 0 close= 0 far= 0 %acc 0.0 - Time for refresh 5 0.26 - make_var : nseed= 20 ntry= 420 - Time for make trial 6 0.07 -Nonsetup time 13.59 sec, Eval/s = 60399.00 -Time for iter 6 1.82 sec, Eval/s = 72102.45 - UPDATING 420 - 4 e 191 411 etot -7.0283E+01 mv 0 4 23 0 0 - 4 e 565 395 etot -6.6225E+01 mv 1 4 5 -168 0 f 34 730.9 8.8 - 4 e 182 402 etot -7.6051E+01 mv 0 4 148 0 0 c 148 1.2 0.0 - 4 e 128 409 etot -7.3354E+01 mv 0 4 172 0 0 - 4 e 70 413 etot -6.9695E+01 mv 0 4 19 0 0 - 4 e 146 412 etot -7.0270E+01 mv 0 4 169 0 0 c 169 2.2 0.0 - 4 e 88 414 etot -7.1939E+01 mv 0 4 131 0 0 - 4 e 350 417 etot -6.9214E+01 mv 0 4 199 0 0 - 4 e 636 377 etot -6.4220E+01 mv 1 4 37 -35 0 - 4 e 101 419 etot -6.8485E+01 mv 0 4 5 0 0 c 34 390.3 2.3 - -1 e 1 2 etot 1.3528E+20 mv 6 5 75 107 0 - 4 e 552 386 etot -6.8226E+01 mv 1 4 153 -154 0 - 4 e 153 418 etot -6.8789E+01 mv 0 4 153 0 0 c 153 1.9 0.0 - 4 e 104 410 etot -7.1724E+01 mv 0 4 41 0 0 - 4 e 173 407 etot -7.2788E+01 mv 0 4 184 0 0 c 184 2.2 0.0 - 4 e 528 393 etot -6.8285E+01 mv 1 4 5 -23 0 - 4 e 491 400 etot -7.0913E+01 mv 1 4 120 -140 0 - 4 e 335 392 etot -5.9853E+01 mv 1 4 5 -172 0 - 4 e 513 384 etot -5.8618E+01 mv 1 4 199 -19 0 - -1 e 1 10 etot 1.3528E+20 mv 6 5 75 18 0 - 4 e 383 397 etot -5.0344E+01 mv 1 4 120 -50 0 - 4 e 429 389 etot -6.3741E+01 mv 1 4 153 -24 0 - 4 e 307 396 etot -7.1699E+01 mv 1 4 120 -65 0 c 120 1.3 0.0 - 4 e 493 378 etot -6.9361E+01 mv 1 4 37 -91 0 - 4 e 269 415 etot -6.9450E+01 mv 0 4 108 0 0 - 4 e 352 385 etot -6.9214E+01 mv 1 4 199 -74 0 - -1 e 1 20 etot 1.3528E+20 mv 6 5 142 68 0 - 4 e 651 373 etot -6.0693E+01 mv 1 4 108 -195 0 f 114 741.4 3.2 - 4 e 555 375 etot -6.9449E+01 mv 1 4 108 -158 0 - 4 e 709 340 etot -7.4049E+01 mv 1 4 1 -167 0 c 1 363.3 1.8 - 4 e 110 408 etot -7.2233E+01 mv 0 4 1 0 0 - 4 e 602 420 etot -7.3300E+01 mv 0 4 120 0 0 c 120 210.3 1.6 - 4 e 362 394 etot -6.5955E+01 mv 1 4 5 -65 0 - 4 e 515 399 etot -7.1704E+01 mv 1 4 120 -62 0 c 197 603.5 6.7 - -1 e 1 28 etot 1.3528E+20 mv 6 5 6 167 0 - -1 e 1 33 etot 1.3528E+20 mv 6 5 90 24 0 - -1 e 1 36 etot 1.3528E+20 mv 6 5 90 91 0 - 4 e 126 6 etot -5.9211E+01 mv 6 5 75 165 0 - 4 e 165 37 etot -7.1339E+01 mv 6 5 90 150 0 c 90 2.9 0.3 - 4 e 178 35 etot -6.2276E+01 mv 6 5 90 116 0 - 4 e 173 17 etot -7.7489E+01 mv 6 5 142 84 0 - 4 e 211 5 etot -6.0775E+01 mv 6 5 75 164 0 f 178 820.0 3.3 - 4 e 216 31 etot -6.2369E+01 mv 6 5 90 108 0 - 4 e 234 25 etot -6.9643E+01 mv 6 5 6 49 0 - -1 e 1 44 etot 1.3528E+20 mv 6 5 192 191 0 - 4 e 234 1 etot -6.7922E+01 mv 6 5 75 177 0 c 75 374.2 10.1 - 4 e 213 15 etot -6.9941E+01 mv 6 5 142 155 0 - 4 e 251 34 etot -6.0622E+01 mv 6 5 90 100 0 f 95 832.1 3.1 - 4 e 260 7 etot -6.0209E+01 mv 6 5 75 118 0 - 4 e 268 26 etot -6.4812E+01 mv 6 5 6 10 0 - 4 e 275 32 etot -5.5586E+01 mv 6 5 90 146 0 - 4 e 313 19 etot -7.8086E+01 mv 6 5 142 91 0 c 142 5.5 0.0 - 4 e 288 11 etot -7.5864E+01 mv 6 5 142 62 0 - -1 e 1 53 etot 1.3528E+20 mv 6 5 143 139 0 - 4 e 333 30 etot -7.6488E+01 mv 6 5 6 184 0 - 4 e 340 22 etot -7.5830E+01 mv 6 5 6 30 0 - 4 e 368 23 etot -6.7701E+01 mv 6 5 6 166 0 f 164 740.1 10.1 - 4 e 356 18 etot -6.6323E+01 mv 6 5 142 69 0 - 4 e 228 39 etot -7.4147E+01 mv 6 5 90 87 0 - 4 e 405 12 etot -7.8085E+01 mv 6 5 142 10 0 - -1 e 1 60 etot 1.3528E+20 mv 6 5 143 93 0 - 4 e 216 49 etot -7.7367E+01 mv 6 5 192 84 0 c 192 261.2 3.8 - 4 e 383 16 etot -7.3018E+01 mv 6 5 142 153 0 - 4 e 445 8 etot -6.8352E+01 mv 6 5 75 28 0 c 28 637.2 8.5 - 4 e 222 45 etot -7.8130E+01 mv 6 5 192 6 0 - 4 e 472 13 etot -7.8579E+01 mv 6 5 142 86 0 c 142 134.0 0.5 - 4 e 483 14 etot -7.5738E+01 mv 6 5 142 176 0 - 4 e 465 27 etot -6.5826E+01 mv 6 5 6 171 0 - 4 e 494 24 etot -6.3467E+01 mv 6 5 6 137 0 - 4 e 421 42 etot -6.9836E+01 mv 6 5 192 200 0 f 133 776.5 12.3 - 4 e 591 3 etot -7.2963E+01 mv 6 5 75 188 0 c 188 505.7 7.0 - 4 e 220 56 etot -6.7867E+01 mv 6 5 143 169 0 - 4 e 515 21 etot -6.6328E+01 mv 6 5 6 133 0 - 4 e 190 62 etot -6.6705E+01 mv 6 5 2 175 0 - 4 e 377 46 etot -6.3052E+01 mv 6 5 192 158 0 - 4 e 242 57 etot -7.1808E+01 mv 6 5 143 183 0 - 4 e 556 29 etot -7.6652E+01 mv 6 5 6 182 0 - 4 e 386 40 etot -6.5260E+01 mv 6 5 90 149 0 - 4 e 713 4 etot -7.7742E+01 mv 6 5 75 92 0 c 92 421.2 6.3 - 4 e 205 63 etot -7.6073E+01 mv 6 5 2 185 0 c 2 40.4 0.1 - 4 e 637 38 etot -6.5394E+01 mv 6 5 90 171 0 c 171 257.9 1.7 - -1 e 1 81 etot 1.3528E+20 mv 6 5 36 192 0 - 4 e 210 58 etot -5.9899E+01 mv 6 5 143 100 0 - -1 e 1 83 etot 1.3528E+20 mv 6 5 36 193 0 - 4 e 423 47 etot -7.6508E+01 mv 6 5 192 179 0 - 4 e 177 69 etot -5.8081E+01 mv 6 5 2 58 0 c 58 196.2 0.3 - 4 e 627 9 etot -7.5837E+01 mv 6 5 75 78 0 c 134 628.2 0.6 - 4 e 208 67 etot -6.8687E+01 mv 6 5 2 173 0 c 158 596.3 0.3 - 4 e 278 55 etot -6.1926E+01 mv 6 5 143 153 0 - 4 e 279 61 etot -7.5554E+01 mv 6 5 2 180 0 - 8 e 258 59 etot -6.3985E+01 mv 6 5 143 96 0 - -1 e 1 90 etot 1.3528E+20 mv 6 5 36 89 0 - 4 e 326 52 etot -7.7231E+01 mv 6 5 143 10 0 c 143 552.6 4.2 - 4 e 351 50 etot -6.4347E+01 mv 6 5 192 92 0 - 4 e 491 41 etot -5.1856E+01 mv 6 5 192 149 0 - 4 e 419 51 etot -6.8025E+01 mv 6 5 143 102 0 - 4 e 314 66 etot -6.7991E+01 mv 6 5 2 18 0 - 4 e 168 80 etot -5.7831E+01 mv 6 5 194 181 0 - 4 e 149 73 etot -7.1459E+01 mv 6 5 194 50 0 c 50 2.7 0.0 - 4 e 462 48 etot -5.6029E+01 mv 6 5 192 163 0 - 4 e 139 87 etot -6.1552E+01 mv 6 5 36 31 0 c 31 3.9 0.0 - 4 e 378 64 etot -5.5989E+01 mv 6 5 2 200 0 - 4 e 251 82 etot -7.0262E+01 mv 6 5 36 175 0 - 4 e 243 85 etot -4.7310E+01 mv 6 5 36 9 0 - -1 e 1 103 etot 1.3528E+20 mv 6 5 125 183 0 - 4 e 231 84 etot -6.5904E+01 mv 6 5 36 96 0 c 96 327.4 0.9 - 4 e 355 71 etot -7.1145E+01 mv 6 5 194 95 0 - 4 e 610 43 etot -5.1173E+01 mv 6 5 192 89 0 - 4 e 334 75 etot -7.5737E+01 mv 6 5 194 92 0 c 194 26.9 0.4 - -1 e 1 109 etot 1.3528E+20 mv 6 5 125 151 0 - 4 e 672 54 etot -6.1281E+01 mv 6 5 143 109 0 f 138 944.2 3.7 - 4 e 236 78 etot -6.9935E+01 mv 6 5 194 77 0 - 4 e 399 76 etot -6.1845E+01 mv 6 5 194 140 0 f 135 819.2 4.2 - 4 e 282 93 etot -6.6197E+01 mv 6 5 190 47 0 f 64 806.7 8.5 - 4 e 359 86 etot -7.2458E+01 mv 6 5 36 137 0 - 4 e 224 101 etot -7.0667E+01 mv 6 5 125 76 0 - 4 e 207 91 etot -6.1544E+01 mv 6 5 190 130 0 - 4 e 470 72 etot -7.2411E+01 mv 6 5 194 28 0 - 4 e 548 70 etot -6.2394E+01 mv 6 5 2 198 0 - 4 e 605 65 etot -7.7795E+01 mv 6 5 2 130 0 c 2 518.5 1.7 - 4 e 309 97 etot -6.8524E+01 mv 6 5 190 11 0 - 4 e 498 74 etot -6.2560E+01 mv 6 5 194 28 0 f 16 866.5 4.8 - 4 e 564 68 etot -7.8388E+01 mv 6 5 2 172 0 c 161 588.9 4.8 - -1 e 1 123 etot 1.3528E+20 mv 6 5 35 170 0 - 4 e 358 92 etot -7.2369E+01 mv 6 5 190 114 0 c 190 553.6 0.2 - 4 e 243 102 etot -6.1584E+01 mv 6 5 125 200 0 c 200 234.9 0.7 - 4 e 237 89 etot -6.0155E+01 mv 6 5 36 64 0 f 53 874.0 2.1 - 4 e 303 77 etot -6.6630E+01 mv 6 5 194 112 0 - 4 e 493 79 etot -7.1227E+01 mv 6 5 194 187 0 - -1 e 1 129 etot 1.3528E+20 mv 6 5 35 177 0 - 4 e 227 110 etot -6.7748E+01 mv 6 5 125 62 0 - 4 e 247 107 etot -7.4491E+01 mv 6 5 125 19 0 - -1 e 1 132 etot 1.3528E+20 mv 6 5 77 162 0 - 4 e 425 95 etot -6.8945E+01 mv 6 5 190 19 0 - 4 e 153 114 etot -7.1699E+01 mv 6 5 120 17 0 - 4 e 195 113 etot -7.1699E+01 mv 6 5 120 80 0 - 4 e 195 108 etot -7.0019E+01 mv 6 5 125 17 0 - 4 e 260 111 etot -6.0705E+01 mv 6 5 120 24 0 f 58 778.3 2.6 - 4 e 436 98 etot -6.9070E+01 mv 6 5 190 131 0 - 4 e 347 105 etot -7.1765E+01 mv 6 5 125 62 0 - 4 e 346 96 etot -5.7853E+01 mv 6 5 190 28 0 - -1 e 1 140 etot 1.5790E+25 mv 6 5 77 70 0 - 4 e 352 106 etot -7.1684E+01 mv 6 5 125 45 0 - 4 e 615 88 etot -7.1835E+01 mv 6 5 36 193 0 - 4 e 228 124 etot -6.8844E+01 mv 6 5 35 175 0 - 4 e 222 125 etot -6.6033E+01 mv 6 5 35 94 0 - 4 e 312 115 etot -5.6097E+01 mv 6 5 120 20 0 - -1 e 1 147 etot 1.3528E+20 mv 6 5 5 153 0 - 4 e 391 94 etot -5.8495E+01 mv 6 5 190 186 0 c 186 27.0 0.2 - 4 e 313 121 etot -5.2394E+01 mv 6 5 35 143 0 - 4 e 623 99 etot -6.4568E+01 mv 6 5 190 52 0 - 4 e 372 119 etot -5.8677E+01 mv 6 5 120 57 0 - 4 e 538 104 etot -7.2034E+01 mv 6 5 125 10 0 - 4 e 358 120 etot -7.2024E+01 mv 6 5 120 157 0 f 98 745.2 13.9 - 4 e 388 118 etot -6.4795E+01 mv 6 5 120 111 0 - 4 e 238 127 etot -6.8957E+01 mv 6 5 35 159 0 - 4 e 453 116 etot -6.6333E+01 mv 6 5 120 118 0 - 4 e 419 126 etot -7.0310E+01 mv 6 5 35 2 0 - 4 e 223 144 etot -4.8987E+01 mv 6 5 5 46 0 - 4 e 492 100 etot -6.5880E+01 mv 6 5 190 153 0 - 4 e 292 138 etot -7.3248E+01 mv 6 5 77 6 0 c 118 579.4 3.3 - 4 e 321 112 etot -6.3133E+01 mv 6 5 120 128 0 f 48 718.1 4.8 - 4 e 402 130 etot -6.8770E+01 mv 6 5 35 144 0 - -1 e 1 161 etot 1.3528E+20 mv 6 5 131 176 0 - 4 e 326 117 etot -7.2598E+01 mv 6 5 120 165 0 c 197 415.8 0.9 - 4 e 373 135 etot -6.0562E+01 mv 6 5 77 9 0 - 4 e 373 133 etot -6.2700E+01 mv 6 5 77 44 0 - 4 e 376 131 etot -7.6508E+01 mv 6 5 77 131 0 f 70 843.3 18.1 - 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e 263 365 etot -7.0419E+01 mv 1 5 35 -40 0 - 4 e 364 362 etot -6.2691E+01 mv 1 5 35 -63 0 - 4 e 320 368 etot -5.1802E+01 mv 1 5 77 -15 0 - 4 e 500 356 etot -6.4294E+01 mv 1 5 120 -74 0 - 4 e 491 358 etot -6.8874E+01 mv 1 5 120 -19 0 - -1 e 1 393 etot 1.3528E+20 mv 1 5 162 -128 0 - 4 e 215 378 etot -6.9679E+01 mv 1 5 22 -131 0 - 4 e 561 329 etot -6.7462E+01 mv 1 5 143 -12 0 - 4 e 313 375 etot -6.7855E+01 mv 1 5 5 -26 0 - 4 e 311 374 etot -6.1098E+01 mv 1 5 5 -9 0 - 4 e 427 353 etot -6.9985E+01 mv 1 5 125 -26 0 - 4 e 811 331 etot -8.2358E+01 mv 1 5 2 -95 0 c 2 502.0 4.6 - 4 e 182 380 etot -6.7797E+01 mv 1 5 22 -175 0 - 4 e 631 357 etot -6.8975E+01 mv 1 5 120 -160 0 - 4 e 744 346 etot -7.1434E+01 mv 1 5 190 -107 0 c 141 703.9 5.2 - 4 e 374 377 etot -7.1347E+01 mv 1 5 22 -103 0 c 187 624.8 1.6 - 4 e 180 391 etot -6.8498E+01 mv 1 5 162 -70 0 c 162 1.8 0.0 - 4 e 516 349 etot -6.5781E+01 mv 1 5 190 -152 0 - 4 e 485 372 etot -6.8847E+01 mv 1 5 5 -137 0 - 4 e 229 383 etot -4.8149E+01 mv 1 5 131 -186 0 - 4 e 495 373 etot -6.6874E+01 mv 1 5 5 -22 0 - 8 e 153 397 etot -6.3999E+01 mv 1 5 63 -59 0 - 4 e 335 385 etot -7.3481E+01 mv 1 5 131 -10 0 - 4 e 82 403 etot -7.8240E+01 mv 0 5 6 0 0 c 6 1.7 0.0 - 4 e 355 386 etot -5.7183E+01 mv 1 5 73 -22 0 - 4 e 524 371 etot -7.0714E+01 mv 1 5 5 -108 0 - 4 e 91 404 etot -7.1085E+01 mv 0 5 90 0 0 - 4 e 635 367 etot -6.6855E+01 mv 1 5 77 -200 0 - 4 e 233 395 etot -6.8072E+01 mv 1 5 162 -95 0 - 4 e 574 352 etot -5.9243E+01 mv 1 5 125 -97 0 - 4 e 649 339 etot -6.4536E+01 mv 1 5 194 -105 0 - 4 e 140 402 etot -7.8087E+01 mv 0 5 142 0 0 -## N0 total= 17 close= 7 far= 0 %acc 41.2 -## N1 total= 103 close= 12 far= 4 %acc 15.5 -## N2 total= 100 close= 6 far= 5 %acc 11.0 -## N3 total= 0 close= 0 far= 0 %acc 0.0 -## N4 total= 0 close= 0 far= 0 %acc 0.0 -## N5 total= 0 close= 0 far= 0 %acc 0.0 -## N6 total= 200 close= 43 far= 17 %acc 30.0 -## N7 total= 0 close= 0 far= 0 %acc 0.0 -## N8 total= 0 close= 0 far= 0 %acc 0.0 -## N9 total= 0 close= 0 far= 0 %acc 0.0 -##N10 total= 0 close= 0 far= 0 %acc 0.0 -##N11 total= 0 close= 0 far= 0 %acc 0.0 -##N12 total= 0 close= 0 far= 0 %acc 0.0 -##N13 total= 0 close= 0 far= 0 %acc 0.0 -##N14 total= 0 close= 0 far= 0 %acc 0.0 -##N15 total= 0 close= 0 far= 0 %acc 0.0 -##N16 total= 0 close= 0 far= 0 %acc 0.0 -##N17 total= 0 close= 0 far= 0 %acc 0.0 -##N18 total= 0 close= 0 far= 0 %acc 0.0 - Time for refresh 6 0.45 - make_var : nseed= 20 ntry= 420 - Time for make trial 7 0.09 -Nonsetup time 15.69 sec, Eval/s = 60775.88 -Time for iter 7 2.10 sec, Eval/s = 63212.97 - UPDATING 420 - 4 e 627 390 etot -6.0809E+01 mv 1 5 73 -121 0 - 4 e 525 379 etot -7.3249E+01 mv 1 5 22 -129 0 f 93 837.4 14.1 - 4 e 153 414 etot -7.0242E+01 mv 0 5 77 0 0 - 4 e 521 415 etot -7.0781E+01 mv 0 5 5 0 0 - 4 e 743 388 etot -6.3922E+01 mv 1 5 73 -7 0 - 4 e 178 420 etot -6.8353E+01 mv 0 5 63 0 0 - 4 e 105 417 etot -7.3482E+01 mv 0 5 131 0 0 - 4 e 120 409 etot -7.2845E+01 mv 0 5 36 0 0 - 4 e 198 410 etot -7.2246E+01 mv 0 5 190 0 0 c 141 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mv 2 6 66 -175 0 - 4 e 523 272 etot -5.9226E+01 mv 2 6 107 -186 0 - 8 e 157 309 etot -6.3985E+01 mv 1 6 170 -162 0 f 149 812.3 3.1 - 4 e 230 295 etot -7.0079E+01 mv 2 6 108 -172 0 - 4 e 172 311 etot -7.7120E+01 mv 1 6 192 -196 0 - 4 e 608 271 etot -6.8925E+01 mv 2 6 107 -127 0 - 4 e 551 280 etot -7.1025E+01 mv 2 6 188 -62 0 c 178 413.8 7.2 - 4 e 453 293 etot -4.9992E+01 mv 2 6 108 -173 0 - 4 e 610 284 etot -6.5212E+01 mv 2 6 199 -90 0 - 4 e 374 306 etot -7.4908E+01 mv 1 6 170 -79 0 - 4 e 484 297 etot -6.3899E+01 mv 2 6 85 -84 0 f 115 871.4 2.9 - 4 e 253 316 etot -7.6099E+01 mv 1 6 22 -3 0 - 4 e 149 331 etot -5.8728E+01 mv 1 6 190 -21 0 - 4 e 207 326 etot -7.3302E+01 mv 1 6 120 -64 0 - 4 e 309 308 etot -7.9216E+01 mv 1 6 170 -140 0 - 4 e 316 319 etot -7.4575E+01 mv 1 6 22 -171 0 - 4 e 530 304 etot -7.3272E+01 mv 1 6 80 -84 0 - 4 e 363 320 etot -7.7061E+01 mv 1 6 22 -1 0 - 4 e 353 323 etot -7.6680E+01 mv 1 6 70 -89 0 c 70 68.0 0.2 - 4 e 429 299 etot -7.1659E+01 mv 2 6 85 -185 0 c 85 557.5 0.7 - 4 e 343 310 etot -7.9215E+01 mv 1 6 170 -200 0 - 4 e 222 336 etot -7.3715E+01 mv 1 6 104 -52 0 - 4 e 460 315 etot -7.5902E+01 mv 1 6 192 -42 0 - 4 e 336 313 etot -7.5284E+01 mv 1 6 192 -20 0 - 4 e 577 312 etot -7.0640E+01 mv 1 6 192 -118 0 - 4 e 429 305 etot -6.0698E+01 mv 1 6 80 -103 0 - 4 e 466 317 etot -7.0684E+01 mv 1 6 22 -2 0 - 4 e 243 339 etot -6.3777E+01 mv 1 6 104 -118 0 - 4 e 686 303 etot -7.1308E+01 mv 1 6 80 -31 0 - 4 e 315 324 etot -7.7536E+01 mv 1 6 70 -36 0 c 70 81.7 0.9 - 8 e 161 342 etot -6.3989E+01 mv 1 6 150 -88 0 - 4 e 201 341 etot -5.6936E+01 mv 1 6 150 -11 0 - 4 e 311 335 etot -7.2369E+01 mv 1 6 190 -74 0 c 190 3.8 0.0 - 4 e 317 329 etot -6.3736E+01 mv 1 6 120 -51 0 f 46 832.8 2.7 - -1 e 1 359 etot 1.3528E+20 mv 1 6 50 -128 0 - 4 e 412 333 etot -5.5002E+01 mv 1 6 190 -112 0 - 4 e 454 332 etot -6.8445E+01 mv 1 6 190 -33 0 - 4 e 646 314 etot -7.0513E+01 mv 1 6 192 -179 0 - 4 e 498 307 etot -6.3940E+01 mv 1 6 170 -74 0 - -1 e 1 364 etot 1.3528E+20 mv 1 6 90 -52 0 - 4 e 511 330 etot -7.2795E+01 mv 1 6 120 -163 0 - 4 e 223 340 etot -7.3715E+01 mv 1 6 104 -141 0 - 4 e 486 334 etot -6.3724E+01 mv 1 6 190 -147 0 - 4 e 600 325 etot -7.7472E+01 mv 1 6 70 -57 0 - 4 e 626 328 etot -7.1779E+01 mv 1 6 120 -88 0 - -1 e 1 370 etot 1.3528E+20 mv 1 6 63 -163 0 - 4 e 663 322 etot -7.2683E+01 mv 1 6 70 -143 0 - 4 e 508 337 etot -6.9811E+01 mv 1 6 104 -8 0 - 4 e 495 338 etot -6.1243E+01 mv 1 6 104 -122 0 - 4 e 336 347 etot -6.7021E+01 mv 1 6 35 -96 0 - 4 e 754 321 etot -7.6030E+01 mv 1 6 70 -93 0 - 4 e 149 360 etot -7.1458E+01 mv 1 6 50 -14 0 - 4 e 389 350 etot -7.1821E+01 mv 1 6 35 -12 0 c 35 44.8 0.1 - 4 e 185 365 etot -7.1157E+01 mv 1 6 90 -162 0 - 4 e 312 362 etot -5.2975E+01 mv 1 6 90 -14 0 - 4 e 241 355 etot -7.8390E+01 mv 1 6 161 -174 0 - 4 e 811 327 etot -7.3702E+01 mv 1 6 120 -132 0 - 4 e 511 343 etot -7.0599E+01 mv 1 6 150 -96 0 - 4 e 168 373 etot -5.9019E+01 mv 1 6 107 -28 0 - 4 e 373 357 etot -6.2159E+01 mv 1 6 50 -89 0 - 4 e 394 354 etot -7.2668E+01 mv 1 6 161 -70 0 - -1 e 1 386 etot 1.3528E+20 mv 1 6 66 -129 0 - 4 e 323 363 etot -6.9352E+01 mv 1 6 90 -55 0 c 137 461.0 7.2 - 4 e 371 346 etot -6.8345E+01 mv 1 6 35 -105 0 - 4 e 170 376 etot -7.2965E+01 mv 1 6 188 -66 0 c 178 374.3 1.9 - 4 e 393 361 etot -6.3358E+01 mv 1 6 90 -170 0 - 4 e 419 358 etot -6.8692E+01 mv 1 6 50 -152 0 - 4 e 445 356 etot -6.6115E+01 mv 1 6 50 -141 0 - -1 e 1 393 etot 1.5943E+22 mv 1 6 108 -49 0 - 4 e 611 344 etot -6.4893E+01 mv 1 6 150 -96 0 - 4 e 388 349 etot -5.7619E+01 mv 1 6 35 -111 0 - 4 e 313 372 etot -7.1664E+01 mv 1 6 107 -97 0 - 4 e 153 383 etot -5.4384E+01 mv 1 6 199 -161 0 - 4 e 386 369 etot -6.4609E+01 mv 1 6 63 -188 0 - 4 e 438 345 etot -7.5635E+01 mv 1 6 150 -127 0 - 4 e 537 353 etot -7.8484E+01 mv 1 6 161 -98 0 - 4 e 487 366 etot -6.9070E+01 mv 1 6 63 -162 0 - 4 e 189 385 etot -7.1285E+01 mv 1 6 199 -9 0 c 199 4.4 0.0 - 8 e 66 399 etot -6.3995E+01 mv 1 6 85 -173 0 f 21 685.3 3.0 - 4 e 434 351 etot -8.0083E+01 mv 1 6 161 -43 0 - 4 e 171 392 etot -5.7670E+01 mv 1 6 108 -200 0 - 4 e 727 348 etot -7.1762E+01 mv 1 6 35 -195 0 - 4 e 90 401 etot -7.3133E+01 mv 0 6 80 0 0 - 4 e 193 381 etot -7.1285E+01 mv 1 6 199 -144 0 c 199 1.6 0.0 - 4 e 378 367 etot -5.5502E+01 mv 1 6 63 -143 0 - 4 e 105 402 etot -7.9217E+01 mv 0 6 170 0 0 - 4 e 527 368 etot -7.0952E+01 mv 1 6 63 -184 0 - 4 e 99 403 etot -7.7367E+01 mv 0 6 192 0 0 - 4 e 339 378 etot -6.5558E+01 mv 1 6 188 -90 0 - 4 e 520 371 etot -7.3579E+01 mv 1 6 107 -129 0 c 107 193.4 0.5 - 4 e 111 404 etot -7.6100E+01 mv 0 6 22 0 0 - 4 e 197 398 etot -6.2315E+01 mv 1 6 85 -52 0 f 122 737.5 1.3 - 4 e 97 406 etot -7.3302E+01 mv 0 6 120 0 0 - 4 e 488 374 etot -7.1875E+01 mv 1 6 107 -20 0 - 4 e 64 412 etot -7.1459E+01 mv 0 6 50 0 0 -## N0 total= 23 close= 4 far= 0 %acc 17.4 -## N1 total= 97 close= 11 far= 6 %acc 17.5 -## N2 total= 100 close= 8 far= 6 %acc 14.0 -## N3 total= 0 close= 0 far= 0 %acc 0.0 -## N4 total= 0 close= 0 far= 0 %acc 0.0 -## N5 total= 0 close= 0 far= 0 %acc 0.0 -## N6 total= 200 close= 40 far= 23 %acc 31.5 -## N7 total= 0 close= 0 far= 0 %acc 0.0 -## N8 total= 0 close= 0 far= 0 %acc 0.0 -## N9 total= 0 close= 0 far= 0 %acc 0.0 -##N10 total= 0 close= 0 far= 0 %acc 0.0 -##N11 total= 0 close= 0 far= 0 %acc 0.0 -##N12 total= 0 close= 0 far= 0 %acc 0.0 -##N13 total= 0 close= 0 far= 0 %acc 0.0 -##N14 total= 0 close= 0 far= 0 %acc 0.0 -##N15 total= 0 close= 0 far= 0 %acc 0.0 -##N16 total= 0 close= 0 far= 0 %acc 0.0 -##N17 total= 0 close= 0 far= 0 %acc 0.0 -##N18 total= 0 close= 0 far= 0 %acc 0.0 - Time for refresh 7 0.29 - make_var : nseed= 20 ntry= 420 - Time for make trial 8 0.05 -Nonsetup time 17.55 sec, Eval/s = 61781.16 -Time for iter 8 1.86 sec, Eval/s = 70247.04 - UPDATING 420 - 4 e 112 414 etot -7.0953E+01 mv 0 6 63 0 0 - 4 e 127 416 etot -7.2965E+01 mv 0 6 188 0 0 - 4 e 146 415 etot -7.2114E+01 mv 0 6 107 0 0 - 4 e 656 391 etot -7.0414E+01 mv 1 6 108 -60 0 - 4 e 587 384 etot -6.9872E+01 mv 1 6 199 -80 0 - 4 e 574 388 etot -6.7080E+01 mv 1 6 66 -184 0 - 4 e 88 418 etot -7.0664E+01 mv 0 6 66 0 0 c 66 1.7 0.0 - 4 e 512 375 etot -7.1942E+01 mv 1 6 107 -75 0 - 4 e 471 390 etot -7.0662E+01 mv 1 6 66 -164 0 - 4 e 332 394 etot -6.8856E+01 mv 1 6 108 -103 0 - 4 e 334 395 etot -6.1626E+01 mv 1 6 108 -34 0 - 4 e 418 380 etot -7.4265E+01 mv 1 6 188 -5 0 c 178 173.1 1.3 - 4 e 167 411 etot -7.8390E+01 mv 0 6 161 0 0 - 4 e 145 407 etot -7.2370E+01 mv 0 6 190 0 0 c 190 2.7 0.0 - 4 e 122 419 etot -7.0079E+01 mv 0 6 108 0 0 - 4 e 496 382 etot -6.4837E+01 mv 1 6 199 -171 0 - 4 e 146 408 etot -7.3715E+01 mv 0 6 104 0 0 - 4 e 783 352 etot -6.8657E+01 mv 1 6 161 -126 0 f 14 772.6 7.6 - 4 e 592 387 etot -6.6166E+01 mv 1 6 66 -91 0 - 4 e 395 397 etot -6.5772E+01 mv 1 6 85 -107 0 c 21 341.4 1.8 - 4 e 67 420 etot -7.0036E+01 mv 0 6 85 0 0 c 21 261.8 4.3 - 4 e 149 417 etot -7.1285E+01 mv 0 6 199 0 0 c 199 0.8 0.0 - 4 e 59 413 etot -7.1339E+01 mv 0 6 90 0 0 c 137 238.2 2.0 - 4 e 441 377 etot -6.9559E+01 mv 1 6 188 -107 0 - 4 e 268 400 etot -6.6530E+01 mv 1 6 85 -145 0 - 4 e 123 410 etot -7.1747E+01 mv 0 6 35 0 0 - 4 e 464 396 etot -6.4780E+01 mv 1 6 85 -121 0 - 4 e 564 409 etot -7.7065E+01 mv 0 6 150 0 0 c 150 2.4 0.0 - 4 e 112 405 etot -7.6509E+01 mv 0 6 70 0 0 - 4 e 531 379 etot -7.0385E+01 mv 1 6 188 -170 0 - 4 e 241 389 etot -6.4830E+01 mv 1 6 66 -191 0 - 4 e 94 20 etot -6.8789E+01 mv 6 7 70 153 0 c 153 0.3 0.0 - -1 e 1 32 etot 1.3528E+20 mv 6 7 191 82 0 - 4 e 136 26 etot -6.6208E+01 mv 6 7 142 6 0 f 62 732.4 5.1 - 4 e 148 3 etot -5.8339E+01 mv 6 7 200 186 0 - 4 e 160 12 etot -7.0682E+01 mv 6 7 70 154 0 c 123 640.3 0.8 - 4 e 192 31 etot -8.0252E+01 mv 6 7 191 119 0 - 4 e 189 21 etot -7.8721E+01 mv 6 7 142 181 0 - 4 e 196 30 etot -7.8325E+01 mv 6 7 142 140 0 - 4 e 236 17 etot -7.7484E+01 mv 6 7 70 142 0 - 4 e 210 22 etot -7.0033E+01 mv 6 7 142 52 0 - 4 e 245 27 etot -7.9835E+01 mv 6 7 142 172 0 c 142 2.0 0.0 - 4 e 248 25 etot -7.8902E+01 mv 6 7 142 70 0 - 4 e 223 15 etot -7.7236E+01 mv 6 7 70 196 0 - 4 e 252 1 etot -5.7559E+01 mv 6 7 200 22 0 - 4 e 241 19 etot -7.7537E+01 mv 6 7 70 127 0 c 70 1.7 0.0 - 4 e 173 33 etot -6.8237E+01 mv 6 7 191 57 0 - 4 e 283 14 etot -6.8456E+01 mv 6 7 70 53 0 c 160 410.6 3.9 - 4 e 169 34 etot -8.0552E+01 mv 6 7 191 160 0 c 191 36.1 0.3 - 4 e 315 8 etot -7.1650E+01 mv 6 7 200 17 0 c 200 437.2 10.1 - 4 e 329 4 etot -6.9823E+01 mv 6 7 200 128 0 f 138 685.7 8.5 - -1 e 1 50 etot 1.3528E+20 mv 6 7 161 2 0 - 4 e 352 5 etot -6.2716E+01 mv 6 7 200 19 0 - 4 e 318 16 etot -7.0107E+01 mv 6 7 70 128 0 - 4 e 396 6 etot -5.1325E+01 mv 6 7 200 173 0 - 4 e 390 24 etot -7.7436E+01 mv 6 7 142 99 0 - 4 e 479 7 etot -6.7663E+01 mv 6 7 200 121 0 c 121 520.5 3.7 - 4 e 406 23 etot -7.4340E+01 mv 6 7 142 18 0 - 4 e 425 10 etot -7.2139E+01 mv 6 7 200 94 0 c 94 244.6 1.4 - 4 e 440 2 etot -5.8982E+01 mv 6 7 200 117 0 - 4 e 254 39 etot -7.0368E+01 mv 6 7 191 140 0 c 140 4.4 0.0 - -1 e 1 61 etot 1.3528E+20 mv 6 7 23 149 0 - 4 e 187 44 etot -6.5205E+01 mv 6 7 161 83 0 c 83 94.4 0.1 - 4 e 201 42 etot -6.8843E+01 mv 6 7 161 116 0 - 4 e 193 47 etot -6.1658E+01 mv 6 7 161 16 0 f 40 716.1 0.3 - 4 e 316 36 etot -8.2135E+01 mv 6 7 191 140 0 c 191 314.6 1.6 - 4 e 494 9 etot -7.2138E+01 mv 6 7 200 194 0 c 200 306.9 0.5 - 4 e 242 41 etot -6.8777E+01 mv 6 7 161 16 0 c 40 304.9 7.1 - 4 e 261 51 etot -7.6679E+01 mv 6 7 150 104 0 - 4 e 501 29 etot -7.4039E+01 mv 6 7 142 74 0 - 4 e 276 46 etot -8.2656E+01 mv 6 7 161 115 0 - 4 e 239 45 etot -6.6167E+01 mv 6 7 161 21 0 - 4 e 282 53 etot -7.6143E+01 mv 6 7 150 86 0 - 4 e 539 28 etot -7.9579E+01 mv 6 7 142 115 0 - 4 e 271 55 etot -6.9927E+01 mv 6 7 150 120 0 f 15 727.7 8.4 - 4 e 323 43 etot -8.4552E+01 mv 6 7 161 104 0 c 161 89.6 0.4 - 4 e 637 11 etot -7.0188E+01 mv 6 7 70 147 0 f 31 674.7 8.6 - 4 e 657 13 etot -7.3165E+01 mv 6 7 70 183 0 - 4 e 469 40 etot -7.5081E+01 mv 6 7 191 92 0 c 197 567.0 2.5 - 4 e 694 18 etot -7.9132E+01 mv 6 7 70 67 0 c 182 648.8 11.4 - 4 e 256 71 etot -5.6420E+01 mv 6 7 93 141 0 - 4 e 484 38 etot -8.2539E+01 mv 6 7 191 157 0 c 191 328.6 0.4 - 4 e 169 68 etot -6.1533E+01 mv 6 7 23 42 0 - 4 e 329 49 etot -8.3462E+01 mv 6 7 161 33 0 - -1 e 1 78 etot 1.3528E+20 mv 6 7 93 41 0 - 4 e 233 64 etot -5.8626E+01 mv 6 7 23 165 0 - 4 e 439 37 etot -7.0016E+01 mv 6 7 191 193 0 - -1 e 1 86 etot 1.3528E+20 mv 6 7 41 156 0 - 4 e 512 54 etot -6.7105E+01 mv 6 7 150 34 0 - 4 e 203 70 etot -7.5530E+01 mv 6 7 23 127 0 c 23 3.0 0.0 - 4 e 461 48 etot -7.8457E+01 mv 6 7 161 45 0 - 4 e 438 57 etot -6.8594E+01 mv 6 7 150 129 0 - 4 e 321 69 etot -6.3259E+01 mv 6 7 23 188 0 - -1 e 1 92 etot 1.3528E+20 mv 6 7 143 23 0 - 4 e 641 35 etot -7.0999E+01 mv 6 7 191 165 0 f 128 698.6 9.4 - 4 e 335 63 etot -6.1080E+01 mv 6 7 23 136 0 - 4 e 290 59 etot -8.2795E+01 mv 6 7 150 161 0 - 4 e 264 75 etot -6.9233E+01 mv 6 7 93 102 0 - 4 e 445 52 etot -6.4536E+01 mv 6 7 150 44 0 - 4 e 214 74 etot -5.9350E+01 mv 6 7 93 87 0 - 4 e 396 60 etot -7.0787E+01 mv 6 7 150 114 0 - 4 e 424 73 etot -6.8314E+01 mv 6 7 93 61 0 - 4 e 362 67 etot -7.1631E+01 mv 6 7 23 81 0 - -1 e 1 103 etot 1.3528E+20 mv 6 7 19 22 0 - -1 e 1 104 etot 1.3528E+20 mv 6 7 19 143 0 - 4 e 177 91 etot -6.3387E+01 mv 6 7 143 15 0 - 8 e 182 89 etot -6.3993E+01 mv 6 7 41 139 0 - -1 e 1 107 etot 1.3528E+20 mv 6 7 19 150 0 - 4 e 506 58 etot -6.5590E+01 mv 6 7 150 135 0 - 4 e 476 72 etot -6.9455E+01 mv 6 7 93 181 0 - 4 e 226 85 etot -7.3740E+01 mv 6 7 41 93 0 c 41 45.1 1.2 - 4 e 509 65 etot -7.6510E+01 mv 6 7 23 155 0 c 118 516.8 3.3 - 4 e 552 66 etot -7.0421E+01 mv 6 7 23 194 0 - 4 e 280 76 etot -7.0172E+01 mv 6 7 93 128 0 - -1 e 1 113 etot 1.3528E+20 mv 6 7 56 104 0 - 4 e 247 99 etot -6.4144E+01 mv 6 7 143 180 0 - 4 e 283 82 etot -7.0726E+01 mv 6 7 41 110 0 - 4 e 306 95 etot -7.6089E+01 mv 6 7 143 43 0 - 4 e 485 62 etot -7.7528E+01 mv 6 7 23 164 0 c 23 499.0 2.0 - 4 e 351 80 etot -6.5959E+01 mv 6 7 93 109 0 - -1 e 1 120 etot 1.3214E+20 mv 6 7 56 189 0 - -1 e 1 121 etot 1.3528E+20 mv 6 7 141 36 0 - -1 e 1 122 etot 1.3528E+20 mv 6 7 141 65 0 - 4 e 195 105 etot 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etot -6.0253E+01 mv 1 7 150 -199 0 - 4 e 659 313 etot -7.3926E+01 mv 1 7 142 -98 0 - 4 e 253 347 etot -7.6759E+01 mv 1 7 143 -108 0 c 180 370.4 2.6 - 4 e 292 343 etot -6.9703E+01 mv 1 7 41 -34 0 - 4 e 379 322 etot -6.5405E+01 mv 1 7 161 -150 0 - 4 e 165 350 etot -7.6911E+01 mv 1 7 143 -118 0 c 180 91.0 0.2 - 8 e 99 357 etot -6.3996E+01 mv 1 7 56 -175 0 f 55 677.7 1.5 - 4 e 480 331 etot -6.6570E+01 mv 1 7 23 -110 0 - 4 e 183 352 etot -5.8399E+01 mv 1 7 19 -171 0 - -1 e 1 367 etot 1.3528E+20 mv 1 7 50 -142 0 - 4 e 320 342 etot -7.2550E+01 mv 1 7 41 -35 0 - 4 e 263 336 etot -6.1788E+01 mv 1 7 93 -151 0 - 4 e 170 355 etot -6.2326E+01 mv 1 7 19 -82 0 - -1 e 1 372 etot 1.3528E+20 mv 1 7 88 -139 0 - 4 e 602 306 etot -7.8035E+01 mv 1 7 70 -98 0 - 4 e 489 333 etot -7.1661E+01 mv 1 7 23 -5 0 - 4 e 287 353 etot -6.2414E+01 mv 1 7 19 -61 0 - 4 e 288 351 etot -7.2493E+01 mv 1 7 19 -39 0 - 4 e 452 338 etot -7.3425E+01 mv 1 7 93 -124 0 c 93 1.9 0.0 - -1 e 1 378 etot 1.3528E+20 mv 1 7 5 -139 0 - -1 e 1 379 etot 1.3528E+20 mv 1 7 5 -58 0 - 4 e 284 354 etot -7.2493E+01 mv 1 7 19 -50 0 - 4 e 315 341 etot -7.2551E+01 mv 1 7 41 -166 0 - -1 e 1 382 etot 1.5403E+21 mv 1 7 63 -25 0 - 4 e 148 369 etot -6.0510E+01 mv 1 7 50 -112 0 - 4 e 621 332 etot -5.3409E+01 mv 1 7 23 -44 0 - -1 e 1 385 etot 1.3528E+20 mv 1 7 63 -41 0 - 4 e 493 340 etot -7.2862E+01 mv 1 7 93 -81 0 - 4 e 340 344 etot -6.5635E+01 mv 1 7 41 -27 0 - 4 e 320 358 etot -6.1760E+01 mv 1 7 56 -155 0 - 4 e 403 349 etot -7.7617E+01 mv 1 7 143 -151 0 c 180 193.1 0.7 - 4 e 304 360 etot -7.1125E+01 mv 1 7 56 -78 0 - 4 e 212 366 etot -6.9479E+01 mv 1 7 50 -192 0 - 4 e 435 348 etot -6.7034E+01 mv 1 7 143 -77 0 - 4 e 534 346 etot -7.8262E+01 mv 1 7 143 -191 0 c 119 475.5 10.2 - 4 e 268 356 etot -5.3684E+01 mv 1 7 56 -164 0 - 4 e 246 370 etot -7.1113E+01 mv 1 7 50 -95 0 - 4 e 618 337 etot -6.9840E+01 mv 1 7 93 -26 0 - 4 e 553 326 etot -7.8032E+01 mv 1 7 150 -59 0 - 4 e 311 361 etot -7.2245E+01 mv 1 7 141 -83 0 - 4 e 204 364 etot -5.3430E+01 mv 1 7 141 -106 0 - 4 e 219 375 etot -6.2582E+01 mv 1 7 88 -73 0 - 4 e 192 380 etot -7.1584E+01 mv 1 7 5 -71 0 c 5 1.5 0.0 - 4 e 334 363 etot -6.1793E+01 mv 1 7 141 -150 0 - 4 e 165 389 etot -7.5019E+01 mv 1 7 124 -22 0 - 4 e 472 359 etot -5.8240E+01 mv 1 7 56 -55 0 - 4 e 67 401 etot -6.1584E+01 mv 0 7 200 0 0 - 4 e 246 381 etot -7.1372E+01 mv 1 7 63 -127 0 c 63 3.0 0.0 - 4 e 96 402 etot -7.7537E+01 mv 0 7 70 0 0 - 4 e 302 376 etot -7.1584E+01 mv 1 7 5 -42 0 - 4 e 506 339 etot -7.3248E+01 mv 1 7 93 -114 0 - 4 e 104 403 etot -7.9835E+01 mv 0 7 142 0 0 - 4 e 221 390 etot -7.6476E+01 mv 1 7 124 -81 0 - 4 e 298 384 etot -6.9973E+01 mv 1 7 63 -160 0 - 4 e 295 386 etot -7.6475E+01 mv 1 7 124 -49 0 - 4 e 457 365 etot -6.9766E+01 mv 1 7 141 -77 0 c 181 211.6 1.1 - 4 e 102 406 etot -7.7066E+01 mv 0 7 150 0 0 - 4 e 298 387 etot -6.5755E+01 mv 1 7 124 -126 0 - 4 e 248 393 etot -7.9700E+01 mv 1 7 104 -101 0 c 135 307.3 10.1 - 4 e 113 404 etot -8.0257E+01 mv 0 7 191 0 0 - 4 e 79 411 etot -7.2494E+01 mv 0 7 19 0 0 -## N0 total= 20 close= 6 far= 0 %acc 30.0 -## N1 total= 100 close= 14 far= 2 %acc 16.0 -## N2 total= 100 close= 17 far= 5 %acc 22.0 -## N3 total= 0 close= 0 far= 0 %acc 0.0 -## N4 total= 0 close= 0 far= 0 %acc 0.0 -## N5 total= 0 close= 0 far= 0 %acc 0.0 -## N6 total= 200 close= 40 far= 19 %acc 29.5 -## N7 total= 0 close= 0 far= 0 %acc 0.0 -## N8 total= 0 close= 0 far= 0 %acc 0.0 -## N9 total= 0 close= 0 far= 0 %acc 0.0 -##N10 total= 0 close= 0 far= 0 %acc 0.0 -##N11 total= 0 close= 0 far= 0 %acc 0.0 -##N12 total= 0 close= 0 far= 0 %acc 0.0 -##N13 total= 0 close= 0 far= 0 %acc 0.0 -##N14 total= 0 close= 0 far= 0 %acc 0.0 -##N15 total= 0 close= 0 far= 0 %acc 0.0 -##N16 total= 0 close= 0 far= 0 %acc 0.0 -##N17 total= 0 close= 0 far= 0 %acc 0.0 -##N18 total= 0 close= 0 far= 0 %acc 0.0 - Time for refresh 8 0.34 - make_var : nseed= 20 ntry= 420 - Time for make trial 9 0.09 -Nonsetup time 19.53 sec, Eval/s = 62288.04 -Time for iter 9 1.97 sec, Eval/s = 66798.76 - UPDATING 420 - 4 e 110 416 etot -7.1585E+01 mv 0 7 5 0 0 c 5 0.7 0.0 - 4 e 578 362 etot -6.5914E+01 mv 1 7 141 -65 0 f 103 795.9 3.4 - 4 e 228 405 etot -8.4197E+01 mv 0 7 161 0 0 - 4 e 480 397 etot -7.1394E+01 mv 1 7 178 -23 0 - 4 e 157 415 etot -7.1677E+01 mv 0 7 88 0 0 - 4 e 585 377 etot -6.6462E+01 mv 1 7 5 -26 0 - 4 e 295 392 etot -7.9915E+01 mv 1 7 104 -141 0 c 135 113.7 0.2 - 4 e 34 420 etot -7.2965E+01 mv 0 7 178 0 0 - 4 e 399 396 etot -7.3934E+01 mv 1 7 178 -18 0 - 4 e 133 408 etot -7.3251E+01 mv 0 7 93 0 0 - 4 e 104 414 etot -7.1964E+01 mv 0 7 50 0 0 - 4 e 89 418 etot -7.6476E+01 mv 0 7 124 0 0 c 124 0.5 0.0 - 4 e 116 409 etot -7.2551E+01 mv 0 7 41 0 0 - 4 e 322 399 etot -6.7677E+01 mv 1 7 178 -83 0 - 4 e 288 394 etot -7.9700E+01 mv 1 7 104 -47 0 - 4 e 126 407 etot -7.5530E+01 mv 0 7 23 0 0 c 77 32.9 0.3 - 4 e 624 373 etot -6.5451E+01 mv 1 7 88 -146 0 - 4 e 110 417 etot -7.1372E+01 mv 0 7 63 0 0 c 63 1.3 0.0 - 4 e 99 412 etot -7.3350E+01 mv 0 7 56 0 0 - 4 e 507 391 etot -7.6521E+01 mv 1 7 104 -47 0 - 4 e 121 419 etot -7.9701E+01 mv 0 7 104 0 0 - 4 e 588 368 etot -7.0608E+01 mv 1 7 50 -109 0 f 113 803.6 8.1 - 4 e 103 413 etot -7.2246E+01 mv 0 7 141 0 0 c 141 0.8 0.0 - 4 e 241 395 etot -7.9700E+01 mv 1 7 104 -30 0 - 4 e 359 398 etot -5.8045E+01 mv 1 7 178 -167 0 - 4 e 450 400 etot -7.0124E+01 mv 1 7 178 -79 0 - 4 e 533 374 etot -6.9005E+01 mv 1 7 88 -135 0 - -1 e 1 21 etot 1.3528E+20 mv 6 8 191 158 0 - 4 e 114 410 etot -7.7233E+01 mv 0 7 143 0 0 - 4 e 350 388 etot -7.1658E+01 mv 1 7 124 -167 0 - 4 e 526 383 etot -5.9097E+01 mv 1 7 63 -34 0 - 4 e 446 371 etot -5.6075E+01 mv 1 7 88 -168 0 - -1 e 1 31 etot 1.3528E+20 mv 6 8 107 166 0 - 8 e 52 4 etot -6.3988E+01 mv 6 8 80 183 0 c 183 228.5 1.0 - 8 e 63 5 etot -6.3998E+01 mv 6 8 80 85 0 - 4 e 111 11 etot -6.6197E+01 mv 6 8 161 64 0 c 64 0.7 0.0 - 4 e 186 25 etot -8.2243E+01 mv 6 8 191 152 0 - 4 e 203 8 etot -7.4846E+01 mv 6 8 80 137 0 c 80 2.4 0.0 - 4 e 236 6 etot -6.3181E+01 mv 6 8 80 160 0 - 4 e 233 9 etot -6.0937E+01 mv 6 8 80 81 0 - 4 e 241 30 etot -8.3762E+01 mv 6 8 191 116 0 c 191 225.9 1.2 - 4 e 256 27 etot -8.2598E+01 mv 6 8 191 147 0 - -1 e 1 42 etot 1.3528E+20 mv 6 8 23 97 0 - 4 e 235 26 etot -6.0673E+01 mv 6 8 191 195 0 - 4 e 289 12 etot -8.4552E+01 mv 6 8 161 102 0 c 161 1.7 0.0 - 4 e 298 3 etot -7.1009E+01 mv 6 8 80 172 0 - 4 e 262 18 etot -7.4740E+01 mv 6 8 161 148 0 - 4 e 321 29 etot -7.1457E+01 mv 6 8 191 195 0 - 4 e 324 32 etot -7.2202E+01 mv 6 8 107 2 0 - 4 e 319 35 etot -7.4023E+01 mv 6 8 107 70 0 - 4 e 315 16 etot -6.6828E+01 mv 6 8 161 115 0 c 115 552.5 2.9 - 4 e 346 2 etot -6.5212E+01 mv 6 8 80 121 0 - 4 e 381 15 etot -6.8302E+01 mv 6 8 161 111 0 f 16 704.4 5.7 - 4 e 385 17 etot -8.0109E+01 mv 6 8 161 186 0 - 4 e 407 10 etot -6.1887E+01 mv 6 8 80 189 0 - 4 e 182 37 etot -7.2162E+01 mv 6 8 107 110 0 - 4 e 326 36 etot -5.9199E+01 mv 6 8 107 177 0 - 4 e 591 7 etot -7.6995E+01 mv 6 8 80 2 0 f 127 649.3 14.4 - 4 e 451 19 etot -7.5003E+01 mv 6 8 161 172 0 c 172 351.3 1.4 - 4 e 385 39 etot -7.2240E+01 mv 6 8 107 141 0 - 4 e 479 1 etot -6.2057E+01 mv 6 8 80 57 0 - 4 e 268 50 etot -6.2868E+01 mv 6 8 23 8 0 - 4 e 630 34 etot -6.1904E+01 mv 6 8 107 34 0 - 4 e 529 24 etot -7.7239E+01 mv 6 8 191 12 0 - 4 e 172 57 etot -6.4339E+01 mv 6 8 150 170 0 - 4 e 519 23 etot -7.5698E+01 mv 6 8 191 195 0 c 128 457.1 4.7 - 4 e 401 40 etot -7.2228E+01 mv 6 8 107 195 0 - 4 e 259 51 etot -7.8675E+01 mv 6 8 150 113 0 - 4 e 561 28 etot -6.7738E+01 mv 6 8 191 109 0 - 4 e 325 43 etot -7.1329E+01 mv 6 8 23 161 0 - 4 e 568 22 etot -7.9929E+01 mv 6 8 191 23 0 c 23 566.3 2.4 - 4 e 582 33 etot -6.8876E+01 mv 6 8 107 127 0 - 4 e 292 44 etot -7.6137E+01 mv 6 8 23 102 0 - 4 e 583 13 etot -8.0563E+01 mv 6 8 161 37 0 c 136 623.2 11.3 - 4 e 363 41 etot -6.3540E+01 mv 6 8 23 144 0 - 4 e 353 47 etot -6.9837E+01 mv 6 8 23 108 0 - 8 e 531 38 etot -6.3997E+01 mv 6 8 107 147 0 f 29 654.4 1.4 - 8 e 235 58 etot -6.3995E+01 mv 6 8 150 79 0 - 4 e 359 55 etot -7.6844E+01 mv 6 8 150 182 0 - 4 e 292 59 etot -7.1281E+01 mv 6 8 150 119 0 - 4 e 252 56 etot -6.2606E+01 mv 6 8 150 23 0 - 8 e 224 65 etot -6.3992E+01 mv 6 8 178 84 0 f 157 711.5 1.4 - -1 e 1 82 etot 1.3528E+20 mv 6 8 19 131 0 - 4 e 309 53 etot -6.2605E+01 mv 6 8 150 85 0 - 4 e 411 54 etot -6.8472E+01 mv 6 8 150 174 0 - 4 e 93 79 etot -6.9834E+01 mv 6 8 93 196 0 c 196 0.6 0.0 - 4 e 704 20 etot -7.3529E+01 mv 6 8 161 74 0 - 4 e 714 14 etot -7.6443E+01 mv 6 8 161 61 0 - 4 e 410 48 etot -7.3700E+01 mv 6 8 23 173 0 c 48 568.3 10.1 - 4 e 472 46 etot -6.8583E+01 mv 6 8 23 27 0 f 145 643.4 5.9 - 4 e 469 45 etot -6.9340E+01 mv 6 8 23 150 0 - 8 e 130 80 etot -6.3991E+01 mv 6 8 93 200 0 - 8 e 89 84 etot -6.3992E+01 mv 6 8 19 102 0 f 81 723.0 1.4 - 4 e 311 61 etot -7.8530E+01 mv 6 8 178 144 0 c 178 306.2 1.9 - 4 e 469 52 etot -7.0722E+01 mv 6 8 150 133 0 - 4 e 155 85 etot -5.6966E+01 mv 6 8 19 129 0 - 4 e 568 60 etot -5.8053E+01 mv 6 8 150 168 0 - 4 e 309 78 etot -7.1379E+01 mv 6 8 93 146 0 - 4 e 375 76 etot -7.3425E+01 mv 6 8 93 171 0 - 4 e 364 69 etot -6.9565E+01 mv 6 8 178 76 0 f 72 749.9 6.9 - 4 e 555 49 etot -8.0079E+01 mv 6 8 23 143 0 c 77 389.7 4.5 - 4 e 467 68 etot -7.5100E+01 mv 6 8 178 132 0 - 4 e 170 89 etot -6.0388E+01 mv 6 8 19 171 0 - 4 e 290 75 etot -6.3215E+01 mv 6 8 93 146 0 - 4 e 560 63 etot -6.3272E+01 mv 6 8 178 144 0 f 144 678.5 0.2 - 4 e 394 77 etot -7.3249E+01 mv 6 8 93 89 0 - 4 e 253 91 etot -6.8957E+01 mv 6 8 142 43 0 - 4 e 366 83 etot -7.4747E+01 mv 6 8 19 124 0 c 19 56.2 1.5 - 4 e 307 90 etot -7.3238E+01 mv 6 8 19 13 0 - 4 e 270 93 etot -6.7482E+01 mv 6 8 142 67 0 f 82 660.0 4.3 - 4 e 240 81 etot -6.2830E+01 mv 6 8 19 87 0 - 4 e 461 74 etot -6.8115E+01 mv 6 8 93 185 0 f 97 638.6 5.0 - 4 e 646 62 etot -7.5581E+01 mv 6 8 178 80 0 f 144 652.5 12.3 - 4 e 383 72 etot -7.3787E+01 mv 6 8 93 131 0 - 4 e 291 95 etot -5.8369E+01 mv 6 8 142 194 0 - 4 e 625 67 etot -7.2005E+01 mv 6 8 178 105 0 c 140 596.6 1.6 - 4 e 547 71 etot -6.7158E+01 mv 6 8 93 85 0 f 129 731.8 3.9 - 4 e 346 94 etot -7.5368E+01 mv 6 8 142 88 0 - 4 e 457 86 etot -6.6562E+01 mv 6 8 19 11 0 - 4 e 375 92 etot -7.9834E+01 mv 6 8 142 124 0 - 4 e 496 64 etot -6.2766E+01 mv 6 8 178 155 0 - 4 e 202 106 etot -6.3161E+01 mv 6 8 88 50 0 - 4 e 498 87 etot -6.9058E+01 mv 6 8 19 32 0 - 4 e 164 110 etot -6.1524E+01 mv 6 8 88 113 0 - 4 e 367 96 etot -7.9882E+01 mv 6 8 142 181 0 c 142 37.2 0.0 - 4 e 134 115 etot -6.3904E+01 mv 6 8 41 74 0 - -1 e 1 126 etot 1.3528E+20 mv 6 8 135 114 0 - 4 e 269 102 etot -7.5707E+01 mv 6 8 88 125 0 c 125 90.7 0.1 - 4 e 305 98 etot -7.8769E+01 mv 6 8 142 113 0 - 4 e 703 66 etot -7.1751E+01 mv 6 8 178 136 0 f 9 723.6 8.4 - 4 e 253 109 etot -7.3642E+01 mv 6 8 88 186 0 c 88 39.8 0.4 - 4 e 503 73 etot -7.0233E+01 mv 6 8 93 8 0 f 110 755.9 6.9 - 4 e 377 100 etot -6.8556E+01 mv 6 8 142 33 0 c 33 501.5 1.7 - 4 e 371 99 etot -7.9881E+01 mv 6 8 142 143 0 - 4 e 230 116 etot -7.2004E+01 mv 6 8 41 137 0 c 137 83.5 0.7 - 4 e 643 88 etot -7.0535E+01 mv 6 8 19 99 0 - 4 e 321 107 etot -7.9022E+01 mv 6 8 88 134 0 - -1 e 1 137 etot 1.3528E+20 mv 6 8 22 37 0 - 4 e 455 97 etot -7.5149E+01 mv 6 8 142 194 0 - 4 e 135 121 etot -6.1691E+01 mv 6 8 135 15 0 - 4 e 222 120 etot -7.2551E+01 mv 6 8 41 32 0 - 4 e 329 112 etot -7.3819E+01 mv 6 8 41 50 0 c 41 6.0 0.1 - 4 e 223 123 etot -7.9927E+01 mv 6 8 135 25 0 c 135 116.8 0.0 - 4 e 192 129 etot -5.5490E+01 mv 6 8 135 99 0 - 4 e 620 70 etot -6.9761E+01 mv 6 8 178 150 0 - 4 e 265 118 etot -7.2551E+01 mv 6 8 41 114 0 - 4 e 444 105 etot -6.7863E+01 mv 6 8 88 16 0 - 4 e 231 114 etot -6.9521E+01 mv 6 8 41 148 0 - -1 e 1 148 etot 1.3528E+20 mv 6 8 50 5 0 - -1 e 1 149 etot 1.3528E+20 mv 6 8 50 42 0 - 4 e 369 113 etot -7.4250E+01 mv 6 8 41 151 0 c 41 52.4 0.4 - 4 e 228 127 etot -5.7586E+01 mv 6 8 135 193 0 - 4 e 260 111 etot -7.8820E+01 mv 6 8 41 197 0 c 197 208.7 1.3 - 4 e 148 136 etot -5.1673E+01 mv 6 8 22 116 0 - 4 e 380 117 etot -6.4514E+01 mv 6 8 41 199 0 f 49 741.7 1.1 - 4 e 341 125 etot -7.4770E+01 mv 6 8 135 182 0 - 4 e 436 119 etot -7.1433E+01 mv 6 8 41 91 0 - 4 e 265 135 etot -7.1186E+01 mv 6 8 22 126 0 - 4 e 160 151 etot -6.2516E+01 mv 6 8 94 83 0 - 4 e 290 134 etot -6.6867E+01 mv 6 8 22 28 0 - 4 e 590 108 etot -7.2941E+01 mv 6 8 88 101 0 - 4 e 420 124 etot -6.4099E+01 mv 6 8 135 145 0 f 89 937.5 0.6 - -1 e 1 162 etot 1.3528E+20 mv 6 8 37 144 0 - 4 e 466 103 etot -6.8906E+01 mv 6 8 88 133 0 - -1 e 1 164 etot 1.3528E+20 mv 6 8 37 191 0 - 4 e 263 142 etot -7.2357E+01 mv 6 8 50 39 0 - 4 e 194 154 etot -6.8961E+01 mv 6 8 94 125 0 - 4 e 310 141 etot -6.3739E+01 mv 6 8 50 75 0 f 175 730.5 0.2 - 4 e 238 152 etot -7.2652E+01 mv 6 8 94 46 0 c 94 33.9 0.5 - 4 e 406 131 etot -7.8265E+01 mv 6 8 22 180 0 - 4 e 511 101 etot -8.5420E+01 mv 6 8 88 117 0 c 117 118.3 1.6 - 4 e 303 146 etot -8.3660E+01 mv 6 8 50 161 0 - -1 e 1 170 etot 1.3528E+20 mv 6 8 37 87 0 - 4 e 403 147 etot -7.1903E+01 mv 6 8 50 112 0 - 4 e 577 122 etot -7.0354E+01 mv 6 8 135 189 0 f 139 651.8 6.8 - 4 e 166 157 etot -6.2525E+01 mv 6 8 94 71 0 - 4 e 640 128 etot -7.6823E+01 mv 6 8 135 68 0 - 4 e 166 156 etot -5.9348E+01 mv 6 8 94 67 0 - 4 e 410 133 etot -8.0150E+01 mv 6 8 22 143 0 c 22 4.9 0.0 - 4 e 325 155 etot -6.5313E+01 mv 6 8 94 35 0 f 46 671.6 1.6 - 4 e 537 130 etot -7.3579E+01 mv 6 8 135 107 0 c 107 2.6 0.0 - 4 e 244 140 etot -7.2429E+01 mv 6 8 22 159 0 - 4 e 244 145 etot -7.0676E+01 mv 6 8 50 123 0 - 4 e 308 160 etot -5.8142E+01 mv 6 8 94 173 0 - 4 e 421 132 etot -8.0150E+01 mv 6 8 22 37 0 - 4 e 644 104 etot -6.7492E+01 mv 6 8 88 89 0 f 116 797.4 3.8 - 4 e 324 159 etot -6.7027E+01 mv 6 8 94 77 0 - 4 e 300 163 etot -7.1665E+01 mv 6 8 37 57 0 - 4 e 337 161 etot -7.6573E+01 mv 6 8 37 123 0 c 123 240.8 0.8 - 4 e 351 150 etot -7.3661E+01 mv 6 8 50 12 0 c 50 479.4 0.9 - 4 e 607 138 etot -8.1728E+01 mv 6 8 22 89 0 c 22 261.2 1.6 - 4 e 561 143 etot -7.2204E+01 mv 6 8 50 85 0 c 155 610.8 1.7 - 4 e 382 158 etot -6.9284E+01 mv 6 8 94 200 0 - 4 e 283 167 etot -6.8350E+01 mv 6 8 37 197 0 - 4 e 291 168 etot -6.9858E+01 mv 6 8 37 123 0 - 4 e 638 139 etot -6.5263E+01 mv 6 8 22 132 0 f 175 814.6 1.5 - 4 e 163 178 etot -6.1676E+01 mv 6 8 170 177 0 - 4 e 619 144 etot -7.0251E+01 mv 6 8 50 135 0 - 4 e 89 185 etot -6.3736E+01 mv 6 8 85 46 0 - 4 e 196 172 etot -5.9983E+01 mv 6 8 170 78 0 - 4 e 219 181 etot -7.1661E+01 mv 6 8 85 123 0 c 85 4.6 0.0 - 4 e 414 169 etot -7.2880E+01 mv 6 8 37 176 0 f 76 728.7 9.1 - 4 e 226 173 etot -7.2114E+01 mv 6 8 170 3 0 f 8 638.0 8.2 - 4 e 458 166 etot -6.6927E+01 mv 6 8 37 163 0 - 4 e 183 192 etot -6.1324E+01 mv 6 8 169 176 0 - 4 e 274 174 etot -6.9333E+01 mv 6 8 170 35 0 - -1 e 1 206 etot 1.3528E+20 mv 2 8 161 -85 0 - 4 e 198 193 etot -6.0373E+01 mv 6 8 169 42 0 - 4 e 165 186 etot -7.1759E+01 mv 6 8 85 199 0 c 85 67.6 0.1 - 4 e 247 189 etot -6.3699E+01 mv 6 8 85 157 0 - 4 e 333 171 etot -7.6961E+01 mv 6 8 170 192 0 - 4 e 532 153 etot -6.5227E+01 mv 6 8 94 81 0 f 78 919.2 1.3 - 4 e 370 180 etot -8.1648E+01 mv 6 8 170 62 0 c 170 205.4 1.4 - 4 e 261 183 etot -6.8805E+01 mv 6 8 85 200 0 - 4 e 334 191 etot -6.9572E+01 mv 6 8 169 88 0 - 4 e 308 195 etot -6.2890E+01 mv 6 8 169 87 0 - -1 e 1 216 etot 1.3528E+20 mv 2 8 107 -57 0 - -1 e 1 217 etot 1.3528E+20 mv 2 8 107 -32 0 - 4 e 439 165 etot -5.8101E+01 mv 6 8 37 149 0 - 4 e 230 200 etot -6.8088E+01 mv 6 8 169 79 0 c 79 212.5 1.7 - 4 e 384 194 etot -5.9956E+01 mv 6 8 169 91 0 - 4 e 461 179 etot -8.0721E+01 mv 6 8 170 120 0 - 4 e 396 188 etot -6.4475E+01 mv 6 8 85 165 0 - 4 e 285 190 etot -6.1247E+01 mv 6 8 85 108 0 - 4 e 479 176 etot -7.9997E+01 mv 6 8 170 155 0 - 4 e 249 201 etot -7.4845E+01 mv 2 8 80 -51 0 - 4 e 489 175 etot -6.7042E+01 mv 6 8 170 30 0 - 8 e 230 207 etot -6.3988E+01 mv 2 8 161 -87 0 - 4 e 414 196 etot -6.0641E+01 mv 6 8 169 3 0 - 4 e 287 205 etot -6.3516E+01 mv 2 8 80 -73 0 - 4 e 282 199 etot -6.5509E+01 mv 6 8 169 159 0 f 68 659.6 1.6 - 4 e 336 204 etot -5.9570E+01 mv 2 8 80 -48 0 - 4 e 339 203 etot -7.4845E+01 mv 2 8 80 -92 0 - 4 e 424 198 etot -6.7557E+01 mv 6 8 169 111 0 - 4 e 265 210 etot -8.4552E+01 mv 2 8 161 -99 0 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etot 1.6627E+30 mv 2 8 88 -127 0 - 4 e 200 240 etot -6.5817E+01 mv 2 8 93 -128 0 - -1 e 1 257 etot 1.3528E+20 mv 2 8 41 -5 0 - 4 e 267 219 etot -5.5043E+01 mv 2 8 107 -21 0 - -1 e 1 259 etot 1.3528E+20 mv 2 8 41 -107 0 - 4 e 314 212 etot -6.8621E+01 mv 2 8 191 -119 0 f 149 799.4 4.6 - 4 e 531 208 etot -7.1962E+01 mv 2 8 161 -120 0 - 4 e 314 228 etot -5.8001E+01 mv 2 8 150 -189 0 - -1 e 1 263 etot 1.3528E+20 mv 2 8 135 -51 0 - 4 e 255 239 etot -7.3426E+01 mv 2 8 93 -33 0 c 93 2.9 0.0 - -1 e 1 265 etot 1.3528E+20 mv 2 8 135 -70 0 - 4 e 262 234 etot -7.6634E+01 mv 2 8 178 -111 0 - 4 e 494 213 etot -7.2574E+01 mv 2 8 191 -36 0 f 183 686.6 8.6 - 4 e 396 223 etot -7.6961E+01 mv 2 8 23 -136 0 - -1 e 1 269 etot 1.3528E+20 mv 2 8 22 -129 0 - -1 e 1 270 etot 1.3528E+20 mv 2 8 22 -132 0 - 4 e 410 209 etot -7.5168E+01 mv 2 8 161 -3 0 - 4 e 371 230 etot -7.1184E+01 mv 2 8 150 -174 0 - 4 e 429 226 etot -8.0288E+01 mv 2 8 150 -92 0 c 150 84.5 0.9 - 4 e 447 221 etot -6.8683E+01 mv 2 8 23 -56 0 - 4 e 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327 etot -6.2649E+01 mv 1 8 150 -193 0 - 4 e 129 343 etot -5.7307E+01 mv 1 8 19 -20 0 - 4 e 491 320 etot -7.2983E+01 mv 1 8 107 -78 0 - 4 e 554 316 etot -6.7692E+01 mv 1 8 107 -30 0 - 4 e 417 329 etot -7.0108E+01 mv 1 8 150 -169 0 - 4 e 632 308 etot -7.6634E+01 mv 1 8 161 -155 0 - 4 e 395 318 etot -6.6036E+01 mv 1 8 107 -191 0 - 4 e 472 328 etot -6.6160E+01 mv 1 8 150 -165 0 - 4 e 253 341 etot -6.9529E+01 mv 1 8 19 -93 0 - 4 e 563 322 etot -6.6271E+01 mv 1 8 23 -148 0 - 4 e 509 302 etot -6.6058E+01 mv 1 8 80 -200 0 - 4 e 426 334 etot -7.5465E+01 mv 1 8 178 -108 0 c 72 228.9 2.4 - 4 e 235 344 etot -7.3307E+01 mv 1 8 19 -175 0 - -1 e 1 367 etot 1.3528E+20 mv 1 8 22 -172 0 - 4 e 492 312 etot -8.2057E+01 mv 1 8 191 -142 0 - 4 e 242 347 etot -7.6798E+01 mv 1 8 142 -157 0 - 4 e 670 317 etot -7.1285E+01 mv 1 8 107 -23 0 - 4 e 644 295 etot -7.5681E+01 mv 2 8 85 -45 0 c 85 329.1 3.9 - 4 e 171 356 etot -7.3741E+01 mv 1 8 41 -36 0 - 4 e 441 338 etot -6.9008E+01 mv 1 8 93 -86 0 f 13 666.7 4.9 - -1 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e 335 360 etot -7.3983E+01 mv 1 8 41 -149 0 - 4 e 333 349 etot -7.8056E+01 mv 1 8 142 -39 0 - 4 e 270 370 etot -7.9685E+01 mv 1 8 22 -71 0 - 4 e 530 352 etot -6.0247E+01 mv 1 8 88 -175 0 - 4 e 230 380 etot -7.2141E+01 mv 1 8 94 -135 0 - 4 e 390 364 etot -5.5964E+01 mv 1 8 135 -188 0 - 4 e 371 368 etot -7.9415E+01 mv 1 8 22 -162 0 - 4 e 301 376 etot -7.2036E+01 mv 1 8 94 -128 0 - 4 e 281 379 etot -6.8177E+01 mv 1 8 94 -21 0 - 4 e 156 392 etot -5.2266E+01 mv 1 8 85 -126 0 - 4 e 681 345 etot -6.9093E+01 mv 1 8 19 -27 0 - 4 e 498 339 etot -6.0091E+01 mv 1 8 93 -186 0 - 4 e 328 365 etot -7.7944E+01 mv 1 8 135 -24 0 - 4 e 271 372 etot -7.1075E+01 mv 1 8 50 -20 0 - 4 e 251 388 etot -8.0591E+01 mv 1 8 170 -10 0 - 4 e 95 401 etot -7.4846E+01 mv 0 8 80 0 0 c 80 1.5 0.0 - 4 e 359 382 etot -6.5244E+01 mv 1 8 37 -98 0 - 4 e 269 386 etot -8.0200E+01 mv 1 8 170 -93 0 - 4 e 303 385 etot -7.1822E+01 mv 1 8 37 -10 0 c 37 3.9 0.0 - 4 e 121 403 etot -8.2541E+01 mv 0 8 191 0 0 - 4 e 131 402 etot -8.4553E+01 mv 0 8 161 0 0 c 161 1.1 0.0 - 4 e 379 384 etot -6.9076E+01 mv 1 8 37 -160 0 - 4 e 427 381 etot -6.7535E+01 mv 1 8 37 -38 0 - 4 e 121 405 etot -7.7530E+01 mv 0 8 23 0 0 - 4 e 529 346 etot -7.8339E+01 mv 1 8 142 -100 0 - 4 e 213 400 etot -5.9389E+01 mv 1 8 169 -39 0 -## N0 total= 18 close= 7 far= 0 %acc 38.9 -## N1 total= 102 close= 9 far= 3 %acc 11.8 -## N2 total= 100 close= 12 far= 8 %acc 20.0 -## N3 total= 0 close= 0 far= 0 %acc 0.0 -## N4 total= 0 close= 0 far= 0 %acc 0.0 -## N5 total= 0 close= 0 far= 0 %acc 0.0 -## N6 total= 200 close= 38 far= 25 %acc 31.5 -## N7 total= 0 close= 0 far= 0 %acc 0.0 -## N8 total= 0 close= 0 far= 0 %acc 0.0 -## N9 total= 0 close= 0 far= 0 %acc 0.0 -##N10 total= 0 close= 0 far= 0 %acc 0.0 -##N11 total= 0 close= 0 far= 0 %acc 0.0 -##N12 total= 0 close= 0 far= 0 %acc 0.0 -##N13 total= 0 close= 0 far= 0 %acc 0.0 -##N14 total= 0 close= 0 far= 0 %acc 0.0 -##N15 total= 0 close= 0 far= 0 %acc 0.0 -##N16 total= 0 close= 0 far= 0 %acc 0.0 -##N17 total= 0 close= 0 far= 0 %acc 0.0 -##N18 total= 0 close= 0 far= 0 %acc 0.0 - Time for refresh 9 0.46 - make_var : nseed= 20 ntry= 420 - Time for make trial 10 0.04 -Nonsetup time 21.59 sec, Eval/s = 62526.49 -Time for iter 10 2.06 sec, Eval/s = 64788.40 - UPDATING 420 - 4 e 471 397 etot -6.8986E+01 mv 1 8 169 -48 0 - 4 e 511 398 etot -6.5801E+01 mv 1 8 169 -87 0 f 165 789.4 1.7 - 4 e 178 404 etot -7.3580E+01 mv 0 8 107 0 0 c 107 1.6 0.0 - 4 e 288 399 etot -5.7503E+01 mv 1 8 169 -43 0 - 4 e 171 420 etot -7.1404E+01 mv 0 8 169 0 0 c 169 1.7 0.0 - 4 e 526 395 etot -6.5731E+01 mv 1 8 85 -108 0 f 186 724.4 1.6 - 4 e 523 371 etot -7.2764E+01 mv 1 8 50 -51 0 - 4 e 231 410 etot -7.9883E+01 mv 0 8 142 0 0 c 142 1.0 0.0 - 4 e 518 373 etot -7.3184E+01 mv 1 8 50 -174 0 c 55 294.0 0.4 - 4 e 487 383 etot -6.8008E+01 mv 1 8 37 -156 0 - 4 e 515 377 etot -6.9499E+01 mv 1 8 94 -141 0 - 4 e 86 412 etot -7.3741E+01 mv 0 8 41 0 0 - 4 e 168 415 etot -7.2765E+01 mv 0 8 50 0 0 - 4 e 151 418 etot -8.0200E+01 mv 0 8 170 0 0 - 4 e 141 417 etot -7.1822E+01 mv 0 8 37 0 0 c 37 1.2 0.0 - 4 e 208 411 etot -7.3203E+01 mv 0 8 88 0 0 - 4 e 125 416 etot -7.2142E+01 mv 0 8 94 0 0 - 4 e 785 357 etot -7.3003E+01 mv 1 8 41 -165 0 - 4 e 501 387 etot -6.4491E+01 mv 1 8 170 -101 0 - 4 e 138 413 etot -7.9701E+01 mv 0 8 135 0 0 - 4 e 179 414 etot -8.0151E+01 mv 0 8 22 0 0 - 4 e 470 390 etot -8.0590E+01 mv 1 8 170 -42 0 - 4 e 124 409 etot -7.3282E+01 mv 0 8 19 0 0 - 4 e 236 396 etot -7.1879E+01 mv 1 8 169 -87 0 c 169 53.6 0.5 - 4 e 473 391 etot -6.7374E+01 mv 1 8 85 -121 0 - 4 e 177 419 etot -7.1661E+01 mv 0 8 85 0 0 - -1 e 1 19 etot 1.3528E+20 mv 6 9 77 133 0 - 4 e 121 408 etot -7.3426E+01 mv 0 8 93 0 0 c 93 0.8 0.0 - -1 e 1 21 etot 1.3528E+20 mv 6 9 22 178 0 - 4 e 130 407 etot -7.6636E+01 mv 0 8 178 0 0 c 72 257.2 1.2 - 4 e 125 406 etot -7.9396E+01 mv 0 8 150 0 0 - 4 e 358 394 etot -6.8465E+01 mv 1 8 85 -93 0 - 4 e 616 361 etot -7.9699E+01 mv 1 8 135 -103 0 - 8 e 2 11 etot -6.3996E+01 mv 6 9 77 85 0 - 4 e 86 1 etot -7.9930E+01 mv 6 9 119 23 0 c 23 1.2 0.0 - -1 e 1 35 etot 1.3528E+20 mv 6 9 197 65 0 - 4 e 153 26 etot -6.4754E+01 mv 6 9 22 130 0 c 130 1.7 0.0 - 4 e 180 30 etot -6.4832E+01 mv 6 9 22 198 0 f 89 887.6 0.7 - 4 e 169 28 etot -7.1918E+01 mv 6 9 22 32 0 - 4 e 213 32 etot -7.1678E+01 mv 6 9 197 27 0 - 4 e 215 15 etot -7.0060E+01 mv 6 9 77 42 0 - 4 e 227 9 etot -6.8608E+01 mv 6 9 119 150 0 - 4 e 226 5 etot -6.8362E+01 mv 6 9 119 55 0 - 4 e 240 31 etot -7.7491E+01 mv 6 9 197 111 0 - 4 e 244 13 etot -6.9296E+01 mv 6 9 77 7 0 - 4 e 263 27 etot -7.0043E+01 mv 6 9 22 107 0 - 4 e 177 36 etot -7.2874E+01 mv 6 9 197 101 0 c 68 569.6 7.4 - 4 e 282 33 etot -8.0935E+01 mv 6 9 197 47 0 - 4 e 286 20 etot -6.4869E+01 mv 6 9 77 27 0 f 11 816.2 0.8 - 4 e 286 22 etot -5.8456E+01 mv 6 9 22 164 0 - 4 e 314 4 etot -6.4244E+01 mv 6 9 119 171 0 - 4 e 151 38 etot -6.7043E+01 mv 6 9 197 30 0 - 4 e 390 6 etot -6.5092E+01 mv 6 9 119 162 0 f 185 765.1 0.7 - -1 e 1 53 etot 1.3528E+20 mv 6 9 194 200 0 - 4 e 370 23 etot -7.5306E+01 mv 6 9 22 75 0 c 75 599.7 7.4 - 4 e 369 18 etot -5.6683E+01 mv 6 9 77 177 0 - 4 e 458 7 etot -6.9503E+01 mv 6 9 119 5 0 - 4 e 420 8 etot -5.9202E+01 mv 6 9 119 190 0 - 4 e 118 39 etot -6.8161E+01 mv 6 9 197 59 0 c 59 3.4 0.0 - 4 e 191 51 etot -7.5357E+01 mv 6 9 194 39 0 - 4 e 466 17 etot -7.1339E+01 mv 6 9 77 85 0 f 100 729.8 7.0 - 4 e 482 16 etot -7.4759E+01 mv 6 9 77 97 0 - 4 e 306 43 etot -6.2368E+01 mv 6 9 56 111 0 - 4 e 480 29 etot -7.2956E+01 mv 6 9 22 49 0 - 4 e 273 42 etot -6.8688E+01 mv 6 9 56 96 0 - 4 e 466 34 etot -7.0820E+01 mv 6 9 197 147 0 f 146 755.8 6.5 - 4 e 317 46 etot -7.5303E+01 mv 6 9 56 136 0 - 4 e 531 14 etot -6.8034E+01 mv 6 9 77 189 0 - 4 e 105 62 etot -6.4355E+01 mv 6 9 142 146 0 - 4 e 128 61 etot -6.6353E+01 mv 6 9 142 93 0 - 4 e 280 47 etot -6.7034E+01 mv 6 9 56 31 0 - 4 e 558 2 etot -7.8923E+01 mv 6 9 119 32 0 c 119 71.5 0.7 - 4 e 76 59 etot -6.9783E+01 mv 6 9 194 81 0 c 81 1.9 0.0 - 4 e 593 3 etot -6.9270E+01 mv 6 9 119 183 0 f 60 628.8 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-7.5954E+01 mv 1 9 178 -47 0 - 4 e 524 327 etot -6.7142E+01 mv 1 9 194 -109 0 - 4 e 512 351 etot -7.2516E+01 mv 1 9 41 -146 0 - 4 e 463 332 etot -6.8163E+01 mv 1 9 142 -136 0 - 4 e 340 364 etot -6.6627E+01 mv 1 9 1 -73 0 f 185 688.8 1.5 - 4 e 507 353 etot -7.0940E+01 mv 1 9 41 -190 0 - 4 e 482 357 etot -7.5290E+01 mv 1 9 125 -83 0 - 4 e 422 363 etot -7.9651E+01 mv 1 9 1 -110 0 c 1 513.2 4.4 - 4 e 426 362 etot -7.1725E+01 mv 1 9 1 -26 0 - 4 e 253 377 etot -5.9045E+01 mv 1 9 36 -122 0 - 4 e 369 367 etot -6.2040E+01 mv 1 9 50 -126 0 - 4 e 351 371 etot -7.3895E+01 mv 1 9 88 -160 0 c 11 191.2 0.2 - 4 e 354 369 etot -5.8588E+01 mv 1 9 50 -113 0 - 4 e 272 376 etot -7.3287E+01 mv 1 9 36 -114 0 - 4 e 214 375 etot -7.3203E+01 mv 1 9 88 -29 0 - 4 e 374 373 etot -7.2158E+01 mv 1 9 88 -72 0 - 4 e 59 407 etot -7.9883E+01 mv 0 9 142 0 0 c 142 0.8 0.0 - 4 e 116 401 etot -7.8264E+01 mv 0 9 119 0 0 - 4 e 107 405 etot -7.8658E+01 mv 0 9 56 0 0 c 56 2.3 0.0 - 4 e 354 379 etot -6.5622E+01 mv 1 9 36 -189 0 - 4 e 73 410 etot -7.8530E+01 mv 0 9 178 0 0 - 4 e 368 378 etot -6.3830E+01 mv 1 9 36 -93 0 - 4 e 147 403 etot -8.1730E+01 mv 0 9 22 0 0 - 4 e 132 406 etot -7.5738E+01 mv 0 9 194 0 0 - 4 e 143 404 etot -7.8821E+01 mv 0 9 197 0 0 - 4 e 151 402 etot -8.0082E+01 mv 0 9 77 0 0 -## N0 total= 24 close= 8 far= 0 %acc 33.3 -## N1 total= 96 close= 14 far= 3 %acc 17.7 -## N2 total= 100 close= 9 far= 3 %acc 12.0 -## N3 total= 0 close= 0 far= 0 %acc 0.0 -## N4 total= 0 close= 0 far= 0 %acc 0.0 -## N5 total= 0 close= 0 far= 0 %acc 0.0 -## N6 total= 200 close= 34 far= 18 %acc 26.0 -## N7 total= 0 close= 0 far= 0 %acc 0.0 -## N8 total= 0 close= 0 far= 0 %acc 0.0 -## N9 total= 0 close= 0 far= 0 %acc 0.0 -##N10 total= 0 close= 0 far= 0 %acc 0.0 -##N11 total= 0 close= 0 far= 0 %acc 0.0 -##N12 total= 0 close= 0 far= 0 %acc 0.0 -##N13 total= 0 close= 0 far= 0 %acc 0.0 -##N14 total= 0 close= 0 far= 0 %acc 0.0 -##N15 total= 0 close= 0 far= 0 %acc 0.0 -##N16 total= 0 close= 0 far= 0 %acc 0.0 -##N17 total= 0 close= 0 far= 0 %acc 0.0 -##N18 total= 0 close= 0 far= 0 %acc 0.0 - Time for refresh 10 1.32 - make_var : nseed= 20 ntry= 420 - Time for make trial 11 0.14 -Nonsetup time 24.59 sec, Eval/s = 60239.95 -Time for iter 11 3.00 sec, Eval/s = 43808.96 - UPDATING 420 - 4 e 372 399 etot -7.5320E+01 mv 1 9 51 -19 0 - 4 e 246 417 etot -7.5848E+01 mv 0 9 108 0 0 c 108 1.5 0.0 - 4 e 137 420 etot -7.5434E+01 mv 0 9 51 0 0 c 51 1.1 0.0 - 4 e 458 380 etot -7.0411E+01 mv 1 9 36 -85 0 - 4 e 249 400 etot -7.4807E+01 mv 1 9 51 -72 0 - 4 e 124 412 etot -7.5708E+01 mv 0 9 125 0 0 c 125 0.5 0.0 - 4 e 394 389 etot -6.6816E+01 mv 1 9 170 -60 0 - 4 e 120 414 etot -7.3662E+01 mv 0 9 50 0 0 - 4 e 509 387 etot -8.1233E+01 mv 1 9 170 -105 0 - 4 e 157 408 etot -7.5682E+01 mv 0 9 85 0 0 c 85 4.0 0.0 - -1 e 1 2 etot 1.3528E+20 mv 6 10 86 33 0 - 4 e 97 418 etot -8.1650E+01 mv 0 9 170 0 0 - 4 e 418 397 etot -5.0198E+01 mv 1 9 51 -117 0 - 4 e 542 393 etot -7.5457E+01 mv 1 9 135 -96 0 - 4 e 646 382 etot -7.7217E+01 mv 1 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79 etot -6.1836E+01 mv 6 10 19 162 0 - 4 e 332 65 etot -7.8521E+01 mv 6 10 136 149 0 - 4 e 360 26 etot -8.0991E+01 mv 6 10 170 131 0 - 4 e 95 90 etot -7.2825E+01 mv 6 10 88 9 0 - 4 e 331 70 etot -8.1299E+01 mv 6 10 136 64 0 c 136 45.3 0.7 - 4 e 410 62 etot -7.3119E+01 mv 6 10 136 187 0 c 187 518.6 1.8 - 4 e 389 73 etot -6.3786E+01 mv 6 10 19 41 0 - 4 e 274 85 etot -6.9831E+01 mv 6 10 88 187 0 f 25 661.0 4.5 - 4 e 410 28 etot -7.0220E+01 mv 6 10 170 7 0 f 46 700.9 4.9 - 4 e 206 88 etot -7.8275E+01 mv 6 10 88 44 0 c 88 239.6 1.1 - 4 e 472 67 etot -8.0934E+01 mv 6 10 136 25 0 c 108 295.1 2.1 - 4 e 469 54 etot -8.0076E+01 mv 6 10 197 170 0 - 4 e 204 94 etot -7.6551E+01 mv 6 10 87 64 0 c 87 8.1 0.0 - 4 e 336 86 etot -7.2727E+01 mv 6 10 88 135 0 f 151 619.9 7.3 - 4 e 408 74 etot -7.1763E+01 mv 6 10 19 80 0 - 4 e 569 59 etot -7.8018E+01 mv 6 10 197 133 0 - 4 e 397 84 etot -7.7025E+01 mv 6 10 88 17 0 - 4 e 250 98 etot -6.9506E+01 mv 6 10 87 130 0 c 130 20.8 0.2 - 4 e 571 69 etot -6.5345E+01 mv 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356 101 etot -7.3457E+01 mv 6 10 128 62 0 f 165 610.4 7.7 - 4 e 319 104 etot -6.4040E+01 mv 6 10 128 47 0 - 4 e 240 109 etot -7.4645E+01 mv 6 10 128 63 0 - 4 e 192 115 etot -7.4755E+01 mv 6 10 36 147 0 c 36 88.7 0.2 - 4 e 158 123 etot -5.9671E+01 mv 6 10 50 62 0 - 4 e 494 96 etot -7.8564E+01 mv 6 10 87 27 0 - 4 e 173 124 etot -6.0488E+01 mv 6 10 50 145 0 - 4 e 602 91 etot -6.9508E+01 mv 6 10 87 151 0 f 10 740.9 3.7 - 4 e 190 114 etot -5.9030E+01 mv 6 10 36 103 0 - 4 e 582 93 etot -7.5327E+01 mv 6 10 87 60 0 - 4 e 63 138 etot -7.2850E+01 mv 6 10 48 89 0 c 89 0.8 0.0 - -1 e 1 144 etot 1.3528E+20 mv 6 10 76 164 0 - -1 e 1 145 etot 1.3528E+20 mv 6 10 76 48 0 - 4 e 255 121 etot -7.1107E+01 mv 6 10 50 43 0 - 4 e 92 139 etot -6.7081E+01 mv 6 10 48 45 0 c 45 2.9 0.0 - 4 e 210 126 etot -7.4308E+01 mv 6 10 50 80 0 - 4 e 208 130 etot -7.3682E+01 mv 6 10 50 47 0 - 4 e 232 125 etot -7.1784E+01 mv 6 10 50 70 0 - 4 e 296 106 etot -7.2232E+01 mv 6 10 128 85 0 - 4 e 452 107 etot -7.1032E+01 mv 6 10 128 200 0 f 96 638.3 5.1 - 4 e 361 118 etot -6.7166E+01 mv 6 10 36 68 0 - 4 e 237 135 etot -7.2967E+01 mv 6 10 48 155 0 c 155 226.8 0.8 - 4 e 475 111 etot -6.7900E+01 mv 6 10 36 195 0 c 195 138.0 1.8 - 4 e 394 119 etot -7.0158E+01 mv 6 10 36 42 0 f 103 681.9 4.2 - 4 e 383 122 etot -6.8274E+01 mv 6 10 50 29 0 - 4 e 442 117 etot -7.4018E+01 mv 6 10 36 11 0 - 4 e 309 134 etot -7.3105E+01 mv 6 10 48 8 0 - 4 e 519 110 etot -6.9339E+01 mv 6 10 128 88 0 f 58 631.3 3.2 - -1 e 1 161 etot 1.3528E+20 mv 6 10 135 15 0 - 4 e 641 102 etot -7.4155E+01 mv 6 10 128 137 0 c 137 284.4 2.2 - 4 e 493 116 etot -6.8520E+01 mv 6 10 36 137 0 - 4 e 548 112 etot -7.5760E+01 mv 6 10 36 170 0 c 36 295.2 1.0 - 4 e 157 154 etot -7.2850E+01 mv 6 10 89 68 0 - 4 e 350 137 etot -7.3757E+01 mv 6 10 48 16 0 c 48 79.8 0.1 - 4 e 125 155 etot -7.6513E+01 mv 6 10 89 118 0 c 118 3.9 0.0 - 4 e 119 157 etot -6.8161E+01 mv 6 10 89 74 0 - 4 e 142 156 etot -7.4659E+01 mv 6 10 89 130 0 c 89 207.8 1.8 - 4 e 285 133 etot -7.5651E+01 mv 6 10 48 181 0 f 167 597.1 9.5 - 4 e 305 143 etot -7.1411E+01 mv 6 10 76 7 0 - 4 e 237 142 etot -5.8346E+01 mv 6 10 76 192 0 - 4 e 266 150 etot -6.9588E+01 mv 6 10 76 66 0 - 4 e 383 141 etot -6.6641E+01 mv 6 10 76 180 0 f 175 798.7 0.5 - 4 e 345 148 etot -6.9525E+01 mv 6 10 76 193 0 c 18 547.5 0.5 - 4 e 431 140 etot -7.3134E+01 mv 6 10 48 81 0 - 4 e 213 158 etot -7.5405E+01 mv 6 10 89 128 0 - 4 e 343 151 etot -7.5009E+01 mv 6 10 89 100 0 - 4 e 209 163 etot -8.1197E+01 mv 6 10 135 166 0 c 135 115.6 0.4 - 4 e 225 160 etot -7.1857E+01 mv 6 10 89 123 0 - 4 e 535 136 etot -7.3121E+01 mv 6 10 48 183 0 - 4 e 259 159 etot -7.0082E+01 mv 6 10 89 65 0 f 84 726.8 3.9 - 4 e 271 162 etot -6.8316E+01 mv 6 10 135 142 0 - 4 e 427 127 etot -7.1692E+01 mv 6 10 50 79 0 - 4 e 338 97 etot -7.2442E+01 mv 6 10 87 50 0 - 4 e 253 167 etot -5.9380E+01 mv 6 10 135 7 0 - 4 e 275 168 etot -6.3903E+01 mv 6 10 135 152 0 - 4 e 511 147 etot -7.1888E+01 mv 6 10 76 29 0 c 18 457.3 2.4 - 4 e 229 174 etot -6.7072E+01 mv 6 10 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229 386 etot -6.4183E+01 mv 1 10 182 -184 0 - 4 e 263 389 etot -7.9185E+01 mv 1 10 182 -133 0 - 4 e 512 366 etot -7.2746E+01 mv 1 10 48 -53 0 - 4 e 117 402 etot -8.1842E+01 mv 0 10 22 0 0 c 22 0.6 0.0 - 4 e 146 401 etot -7.0176E+01 mv 0 10 86 0 0 - 4 e 303 385 etot -8.1861E+01 mv 1 10 135 -51 0 c 135 239.6 0.7 - 4 e 375 382 etot -5.6743E+01 mv 1 10 135 -151 0 - 4 e 437 356 etot -7.6796E+01 mv 1 10 36 -84 0 c 36 345.9 1.0 - 4 e 275 379 etot -6.8639E+01 mv 1 10 89 -158 0 - 4 e 323 388 etot -7.7860E+01 mv 1 10 182 -124 0 - 4 e 265 391 etot -6.9219E+01 mv 1 10 9 -6 0 - 4 e 191 400 etot -7.5176E+01 mv 1 10 27 -73 0 - 4 e 151 405 etot -7.9276E+01 mv 0 10 12 0 0 c 12 2.1 0.0 -## N0 total= 15 close= 6 far= 0 %acc 40.0 -## N1 total= 105 close= 10 far= 0 %acc 9.5 -## N2 total= 100 close= 8 far= 6 %acc 14.0 -## N3 total= 0 close= 0 far= 0 %acc 0.0 -## N4 total= 0 close= 0 far= 0 %acc 0.0 -## N5 total= 0 close= 0 far= 0 %acc 0.0 -## N6 total= 200 close= 40 far= 24 %acc 32.0 -## N7 total= 0 close= 0 far= 0 %acc 0.0 -## N8 total= 0 close= 0 far= 0 %acc 0.0 -## N9 total= 0 close= 0 far= 0 %acc 0.0 -##N10 total= 0 close= 0 far= 0 %acc 0.0 -##N11 total= 0 close= 0 far= 0 %acc 0.0 -##N12 total= 0 close= 0 far= 0 %acc 0.0 -##N13 total= 0 close= 0 far= 0 %acc 0.0 -##N14 total= 0 close= 0 far= 0 %acc 0.0 -##N15 total= 0 close= 0 far= 0 %acc 0.0 -##N16 total= 0 close= 0 far= 0 %acc 0.0 -##N17 total= 0 close= 0 far= 0 %acc 0.0 -##N18 total= 0 close= 0 far= 0 %acc 0.0 - Time for refresh 11 0.27 - make_var : nseed= 20 ntry= 420 - Time for make trial 12 0.05 -Nonsetup time 26.39 sec, Eval/s = 60923.76 -Time for iter 12 1.80 sec, Eval/s = 70281.46 - UPDATING 420 - 4 e 129 420 etot -7.5176E+01 mv 0 10 27 0 0 - 4 e 458 390 etot -7.9133E+01 mv 1 10 182 -188 0 - 4 e 253 394 etot -7.1844E+01 mv 1 10 9 -102 0 - 4 e 176 410 etot -7.6552E+01 mv 0 10 87 0 0 - 4 e 90 417 etot -8.0835E+01 mv 0 10 135 0 0 - 4 e 420 392 etot -6.7110E+01 mv 1 10 9 -1 0 f 44 615.2 0.0 - 4 e 97 412 etot -7.4559E+01 mv 0 10 36 0 0 - 4 e 173 406 etot -8.2584E+01 mv 0 10 197 0 0 c 197 0.7 0.0 - 4 e 134 408 etot -7.8086E+01 mv 0 10 19 0 0 c 49 188.1 0.6 - 4 e 494 398 etot -6.0287E+01 mv 1 10 27 -112 0 - 4 e 106 409 etot -7.7218E+01 mv 0 10 88 0 0 - 4 e 636 378 etot -6.4669E+01 mv 1 10 89 -40 0 - 4 e 135 411 etot -7.5702E+01 mv 0 10 128 0 0 c 128 0.8 0.0 - 4 e 144 414 etot -7.3702E+01 mv 0 10 48 0 0 - 4 e 315 397 etot -6.2916E+01 mv 1 10 27 -2 0 - 4 e 563 373 etot -7.2112E+01 mv 1 10 76 -92 0 - 4 e 105 418 etot -7.9134E+01 mv 0 10 182 0 0 - 4 e 426 393 etot -6.9935E+01 mv 1 10 9 -11 0 f 45 576.1 2.9 - 4 e 95 419 etot -7.2825E+01 mv 0 10 9 0 0 - 4 e 663 383 etot -6.3487E+01 mv 1 10 135 -184 0 - 4 e 88 413 etot -7.3708E+01 mv 0 10 50 0 0 c 50 0.6 0.0 - 4 e 506 375 etot -7.0618E+01 mv 1 10 76 -159 0 c 78 496.0 0.4 - 4 e 537 384 etot -7.6194E+01 mv 1 10 135 -56 0 - -1 e 1 16 etot 1.3528E+20 mv 6 11 191 186 0 - 4 e 137 415 etot -7.2881E+01 mv 0 10 76 0 0 - -1 e 1 17 etot 1.3528E+20 mv 6 11 191 21 0 - 4 e 178 407 etot -8.0566E+01 mv 0 10 136 0 0 - 4 e 150 404 etot -8.0290E+01 mv 0 10 150 0 0 c 150 1.8 0.0 - 4 e 289 395 etot -7.3188E+01 mv 1 10 9 -119 0 - 4 e 355 399 etot -7.5174E+01 mv 1 10 27 -23 0 - 4 e 121 403 etot -8.1668E+01 mv 0 10 170 0 0 c 170 2.5 0.0 - 4 e 63 416 etot -7.2850E+01 mv 0 10 89 0 0 - 4 e 434 396 etot -6.4755E+01 mv 1 10 27 -104 0 - -1 e 1 31 etot 4.4122E+23 mv 6 11 174 105 0 - -1 e 1 32 etot 1.3528E+20 mv 6 11 174 25 0 - -1 e 1 33 etot 1.3528E+20 mv 6 11 174 94 0 - -1 e 1 34 etot 1.3528E+20 mv 6 11 174 158 0 - 4 e 146 6 etot -6.7254E+01 mv 6 11 45 67 0 c 67 1.6 0.0 - 4 e 152 5 etot -6.6989E+01 mv 6 11 45 18 0 - 4 e 168 13 etot -7.4165E+01 mv 6 11 191 32 0 - 4 e 201 8 etot -6.8417E+01 mv 6 11 45 9 0 - 4 e 233 27 etot -7.9913E+01 mv 6 11 2 23 0 - 4 e 242 29 etot -6.6357E+01 mv 6 11 2 42 0 - 4 e 235 37 etot -8.0364E+01 mv 6 11 174 18 0 c 174 72.9 0.8 - 4 e 245 10 etot -7.1846E+01 mv 6 11 45 127 0 c 21 504.6 1.8 - 4 e 247 7 etot -6.9888E+01 mv 6 11 45 91 0 - 4 e 247 24 etot 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381 etot -6.3991E+01 mv 1 11 41 -33 0 - 4 e 335 366 etot -6.7477E+01 mv 1 11 36 -77 0 - 4 e 285 372 etot -7.1470E+01 mv 1 11 27 -83 0 - 4 e 382 349 etot -7.5793E+01 mv 1 11 119 -139 0 - 4 e 351 364 etot -6.8169E+01 mv 1 11 143 -35 0 - 4 e 201 384 etot -5.6487E+01 mv 1 11 41 -77 0 - 4 e 542 350 etot -7.8676E+01 mv 1 11 119 -66 0 - 4 e 52 402 etot -8.3762E+01 mv 0 11 191 0 0 - 4 e 69 401 etot -6.7081E+01 mv 0 11 45 0 0 - 4 e 54 404 etot -7.9603E+01 mv 0 11 174 0 0 - 4 e 479 361 etot -7.8906E+01 mv 1 11 143 -175 0 - 4 e 393 373 etot -7.6478E+01 mv 1 11 27 -171 0 - 4 e 438 368 etot -7.2070E+01 mv 1 11 36 -111 0 - 4 e 113 405 etot -7.9653E+01 mv 0 11 1 0 0 - 4 e 199 396 etot -7.3895E+01 mv 1 11 11 -172 0 - 4 e 215 395 etot -8.2537E+01 mv 1 11 8 -58 0 - 4 e 104 403 etot -8.2359E+01 mv 0 11 2 0 0 c 2 1.6 0.0 - 4 e 114 408 etot -8.1895E+01 mv 0 11 77 0 0 c 77 0.8 0.0 - 4 e 147 406 etot -7.8815E+01 mv 0 11 19 0 0 c 49 1.3 0.0 - 4 e 80 411 etot -7.6058E+01 mv 0 11 194 0 0 - 4 e 140 409 etot -8.1213E+01 mv 0 11 178 0 0 c 178 0.8 0.0 -## N0 total= 26 close= 10 far= 0 %acc 38.5 -## N1 total= 94 close= 9 far= 3 %acc 12.8 -## N2 total= 100 close= 5 far= 5 %acc 10.0 -## N3 total= 0 close= 0 far= 0 %acc 0.0 -## N4 total= 0 close= 0 far= 0 %acc 0.0 -## N5 total= 0 close= 0 far= 0 %acc 0.0 -## N6 total= 200 close= 39 far= 21 %acc 30.0 -## N7 total= 0 close= 0 far= 0 %acc 0.0 -## N8 total= 0 close= 0 far= 0 %acc 0.0 -## N9 total= 0 close= 0 far= 0 %acc 0.0 -##N10 total= 0 close= 0 far= 0 %acc 0.0 -##N11 total= 0 close= 0 far= 0 %acc 0.0 -##N12 total= 0 close= 0 far= 0 %acc 0.0 -##N13 total= 0 close= 0 far= 0 %acc 0.0 -##N14 total= 0 close= 0 far= 0 %acc 0.0 -##N15 total= 0 close= 0 far= 0 %acc 0.0 -##N16 total= 0 close= 0 far= 0 %acc 0.0 -##N17 total= 0 close= 0 far= 0 %acc 0.0 -##N18 total= 0 close= 0 far= 0 %acc 0.0 - Time for refresh 12 0.41 - make_var : nseed= 20 ntry= 420 - Time for make trial 13 0.10 -Nonsetup time 28.40 sec, Eval/s = 61187.52 -Time for iter 13 2.02 sec, Eval/s = 64640.50 - UPDATING 420 - 4 e 541 399 etot -7.5861E+01 mv 1 11 11 -86 0 c 29 537.7 5.9 - 4 e 214 410 etot -8.0701E+01 mv 0 11 119 0 0 - 4 e 125 414 etot -7.6797E+01 mv 0 11 36 0 0 c 36 0.5 0.0 - 4 e 129 413 etot -8.0103E+01 mv 0 11 143 0 0 c 143 1.2 0.0 - 4 e 670 388 etot -7.5724E+01 mv 1 11 76 -138 0 - 4 e 575 393 etot -7.9380E+01 mv 1 11 8 -38 0 f 4 720.2 11.0 - 4 e 146 420 etot -7.3895E+01 mv 0 11 11 0 0 - 4 e 120 419 etot -8.2538E+01 mv 0 11 8 0 0 - 4 e 112 418 etot -7.4292E+01 mv 0 11 76 0 0 c 16 0.6 0.0 - -1 e 1 1 etot 1.3528E+20 mv 6 12 152 48 0 - 4 e 529 380 etot -6.8194E+01 mv 1 11 126 -24 0 - 4 e 469 382 etot -7.0169E+01 mv 1 11 41 -8 0 - 4 e 683 391 etot -7.9991E+01 mv 1 11 8 -32 0 - 4 e 508 374 etot -6.9018E+01 mv 1 11 27 -148 0 - 4 e 533 378 etot -7.4776E+01 mv 1 11 126 -72 0 c 126 126.6 0.1 - 4 e 329 397 etot -5.7819E+01 mv 1 11 11 -193 0 - 4 e 203 407 etot -8.1300E+01 mv 0 11 136 0 0 - 4 e 82 415 etot -7.6316E+01 mv 0 11 27 0 0 c 159 369.3 3.3 - 4 e 348 398 etot -6.9508E+01 mv 1 11 11 -147 0 - 4 e 429 389 etot -6.7859E+01 mv 1 11 76 -77 0 - 4 e 329 390 etot -7.7371E+01 mv 1 11 76 -94 0 c 76 273.3 1.3 - 4 e 85 412 etot -7.5649E+01 mv 0 11 112 0 0 c 112 1.0 0.0 - 4 e 443 386 etot -7.5292E+01 mv 1 11 76 -77 0 c 16 276.0 1.0 - 4 e 76 417 etot -7.4332E+01 mv 0 11 41 0 0 c 41 0.2 0.0 - 4 e 411 375 etot -7.7891E+01 mv 1 11 27 -53 0 c 159 349.6 1.6 - 4 e 446 392 etot -5.9336E+01 mv 1 11 8 -95 0 - 4 e 608 369 etot -7.4790E+01 mv 1 11 36 -134 0 - 4 e 316 385 etot -7.4331E+01 mv 1 11 41 -199 0 - 4 e 252 400 etot -7.3895E+01 mv 1 11 11 -193 0 - 4 e 515 394 etot -7.8714E+01 mv 1 11 8 -75 0 - 4 e 262 387 etot -6.5076E+01 mv 1 11 76 -188 0 - 4 e 108 416 etot -7.4633E+01 mv 0 11 126 0 0 - -1 e 1 30 etot 1.3528E+20 mv 6 12 70 41 0 - -1 e 1 33 etot 1.3528E+20 mv 6 12 117 179 0 - 4 e 122 6 etot -7.5583E+01 mv 6 12 152 144 0 c 144 3.1 0.0 - 4 e 168 17 etot -7.1333E+01 mv 6 12 191 142 0 f 160 652.6 2.9 - 4 e 174 14 etot -8.3828E+01 mv 6 12 191 165 0 - 4 e 189 26 etot -8.0285E+01 mv 6 12 70 199 0 - 4 e 215 21 etot -6.8368E+01 mv 6 12 70 181 0 - 4 e 213 23 etot -6.9971E+01 mv 6 12 70 166 0 - 4 e 215 18 etot -8.3206E+01 mv 6 12 191 141 0 - 4 e 249 29 etot -8.0083E+01 mv 6 12 70 123 0 - 4 e 305 5 etot -7.2336E+01 mv 6 12 152 78 0 - 4 e 248 16 etot -8.3828E+01 mv 6 12 191 199 0 - 4 e 252 2 etot -7.4394E+01 mv 6 12 152 144 0 - 4 e 277 31 etot -6.5091E+01 mv 6 12 117 171 0 - 4 e 263 11 etot -8.4723E+01 mv 6 12 191 127 0 - 8 e 131 28 etot -6.3997E+01 mv 6 12 70 58 0 - -1 e 1 48 etot 1.3528E+20 mv 6 12 19 197 0 - 4 e 304 22 etot -8.1304E+01 mv 6 12 70 18 0 c 70 246.6 0.7 - 4 e 320 10 etot -6.6346E+01 mv 6 12 152 148 0 - 4 e 317 20 etot -7.2252E+01 mv 6 12 191 59 0 c 59 287.4 2.1 - 4 e 316 32 etot -8.5421E+01 mv 6 12 117 66 0 c 117 9.8 0.0 - 4 e 317 24 etot -7.8823E+01 mv 6 12 70 108 0 - 4 e 343 8 etot -6.1149E+01 mv 6 12 152 162 0 - 4 e 323 15 etot -8.0766E+01 mv 6 12 191 198 0 - 4 e 512 7 etot -7.5693E+01 mv 6 12 152 144 0 - 4 e 370 35 etot -8.1601E+01 mv 6 12 117 106 0 - 4 e 226 36 etot -6.2014E+01 mv 6 12 117 185 0 - 4 e 394 34 etot -8.4015E+01 mv 6 12 117 185 0 - 4 e 408 19 etot -8.9490E+01 mv 6 12 191 104 0 c 104 395.9 4.3 - 4 e 177 51 etot -6.6407E+01 mv 6 12 174 28 0 - 4 e 209 45 etot -7.4113E+01 mv 6 12 19 50 0 - 4 e 401 3 etot -7.1842E+01 mv 6 12 152 56 0 f 162 636.9 3.3 - 4 e 599 4 etot -7.5342E+01 mv 6 12 152 65 0 c 152 430.9 3.8 - 4 e 323 43 etot -7.9257E+01 mv 6 12 19 49 0 c 49 27.9 0.4 - 4 e 170 57 etot -5.6122E+01 mv 6 12 174 181 0 - 4 e 424 13 etot -8.1186E+01 mv 6 12 191 127 0 c 192 383.9 1.8 - 4 e 352 37 etot -7.7976E+01 mv 6 12 117 40 0 - 4 e 239 41 etot -7.8080E+01 mv 6 12 19 63 0 - 4 e 249 39 etot -8.5342E+01 mv 6 12 117 3 0 - 4 e 219 25 etot -6.7618E+01 mv 6 12 70 84 0 - 4 e 290 38 etot -8.5408E+01 mv 6 12 117 196 0 - 4 e 387 27 etot -7.2939E+01 mv 6 12 70 139 0 f 33 593.5 4.4 - 4 e 299 42 etot -7.0653E+01 mv 6 12 19 111 0 - 4 e 184 46 etot -7.6345E+01 mv 6 12 19 154 0 c 160 460.7 5.0 - -1 e 1 74 etot 1.3528E+20 mv 6 12 87 29 0 - -1 e 1 72 etot 1.3528E+20 mv 6 12 87 77 0 - 4 e 265 50 etot -7.0091E+01 mv 6 12 19 156 0 f 97 664.7 1.5 - 4 e 143 61 etot -6.6267E+01 mv 6 12 198 145 0 - 4 e 506 12 etot -7.2440E+01 mv 6 12 191 20 0 c 20 117.0 0.3 - 4 e 296 56 etot -6.3422E+01 mv 6 12 174 136 0 - 4 e 565 9 etot -8.3443E+01 mv 6 12 152 182 0 c 182 120.8 1.3 - 4 e 261 53 etot -6.7698E+01 mv 6 12 174 117 0 - 4 e 268 55 etot -8.6223E+01 mv 6 12 174 5 0 c 174 36.0 0.2 - 4 e 191 59 etot -7.3381E+01 mv 6 12 174 167 0 - 4 e 319 58 etot -7.8762E+01 mv 6 12 174 34 0 - 4 e 426 44 etot -7.8081E+01 mv 6 12 19 69 0 - 4 e 466 40 etot -8.6547E+01 mv 6 12 117 86 0 c 117 353.3 1.1 - 4 e 94 83 etot -7.7471E+01 mv 6 12 86 160 0 c 86 2.1 0.2 - 4 e 428 47 etot -7.3389E+01 mv 6 12 19 41 0 - 4 e 174 82 etot -7.8450E+01 mv 6 12 86 142 0 c 86 217.5 1.0 - 4 e 176 70 etot -7.9952E+01 mv 6 12 198 71 0 c 198 2.0 0.0 - 4 e 474 54 etot -7.1056E+01 mv 6 12 174 16 0 - 4 e 289 63 etot -7.9537E+01 mv 6 12 198 186 0 - 4 e 290 65 etot -8.0308E+01 mv 6 12 198 13 0 c 198 170.3 0.4 - 4 e 266 64 etot -7.9519E+01 mv 6 12 198 175 0 - 4 e 177 77 etot -7.8162E+01 mv 6 12 87 84 0 - -1 e 1 97 etot 1.3528E+20 mv 6 12 72 104 0 - 4 e 318 71 etot -6.9237E+01 mv 6 12 87 132 0 - 4 e 457 52 etot -7.9806E+01 mv 6 12 174 169 0 - 4 e 239 80 etot -6.8369E+01 mv 6 12 87 122 0 - 4 e 45 99 etot -7.2874E+01 mv 6 12 72 68 0 c 68 0.3 0.0 - 4 e 260 85 etot -7.7205E+01 mv 6 12 86 28 0 - 4 e 392 60 etot -7.6082E+01 mv 6 12 174 14 0 f 145 578.3 7.5 - 4 e 232 86 etot -7.8424E+01 mv 6 12 86 150 0 - 4 e 259 76 etot -7.0045E+01 mv 6 12 87 37 0 - 4 e 385 66 etot -7.9584E+01 mv 6 12 198 53 0 - 4 e 248 89 etot -7.1508E+01 mv 6 12 86 45 0 c 45 426.2 1.6 - -1 e 1 109 etot 4.4118E+27 mv 6 12 194 67 0 - 4 e 237 91 etot -5.7592E+01 mv 6 12 72 190 0 - 4 e 177 94 etot -6.8765E+01 mv 6 12 72 105 0 - 4 e 378 81 etot -7.5614E+01 mv 6 12 86 36 0 - 4 e 287 49 etot -7.6739E+01 mv 6 12 19 168 0 - 4 e 456 62 etot -6.9839E+01 mv 6 12 198 147 0 f 147 623.0 1.2 - 4 e 347 88 etot -7.4179E+01 mv 6 12 86 196 0 c 121 198.6 1.4 - 4 e 481 67 etot -8.0079E+01 mv 6 12 198 186 0 - 4 e 429 69 etot -6.9097E+01 mv 6 12 198 85 0 - 4 e 364 87 etot -7.0565E+01 mv 6 12 86 9 0 - 4 e 298 73 etot -7.3587E+01 mv 6 12 87 151 0 - 4 e 209 101 etot -6.9476E+01 mv 6 12 194 74 0 c 74 3.3 0.0 - 4 e 210 100 etot -7.6635E+01 mv 6 12 72 28 0 - 4 e 242 96 etot -7.9678E+01 mv 6 12 72 42 0 c 72 91.1 3.0 - 4 e 406 90 etot -7.1301E+01 mv 6 12 86 139 0 - 4 e 305 93 etot -7.5659E+01 mv 6 12 72 129 0 - 4 e 570 79 etot -7.4712E+01 mv 6 12 87 2 0 - 4 e 217 106 etot -7.6355E+01 mv 6 12 194 87 0 c 194 2.2 0.0 - 4 e 159 113 etot -7.7467E+01 mv 6 12 76 50 0 c 76 66.3 0.1 - 4 e 195 103 etot -7.4445E+01 mv 6 12 194 103 0 - 4 e 249 110 etot -6.0225E+01 mv 6 12 194 28 0 - 4 e 172 115 etot -6.7897E+01 mv 6 12 76 81 0 - 4 e 411 92 etot -7.6047E+01 mv 6 12 72 77 0 - 4 e 200 118 etot -6.5640E+01 mv 6 12 76 22 0 - 4 e 218 78 etot -6.7781E+01 mv 6 12 87 61 0 - 4 e 138 125 etot -6.0698E+01 mv 6 12 11 169 0 - -1 e 1 134 etot 1.3528E+20 mv 6 12 118 95 0 - 4 e 257 111 etot -7.4540E+01 mv 6 12 76 144 0 - 4 e 691 68 etot -7.3754E+01 mv 6 12 198 85 0 - 4 e 213 107 etot -7.4659E+01 mv 6 12 194 164 0 c 164 2.3 0.0 - 4 e 211 121 etot -7.3895E+01 mv 6 12 11 26 0 - 4 e 364 104 etot -7.4685E+01 mv 6 12 194 79 0 - 4 e 459 84 etot -7.2432E+01 mv 6 12 86 150 0 f 149 588.3 3.8 - 4 e 203 122 etot -6.7028E+01 mv 6 12 11 119 0 - 4 e 505 75 etot -6.9767E+01 mv 6 12 87 33 0 f 132 612.6 1.1 - 4 e 487 95 etot -7.7600E+01 mv 6 12 72 44 0 - 4 e 298 98 etot -6.9230E+01 mv 6 12 72 57 0 - 4 e 317 119 etot -6.6276E+01 mv 6 12 76 36 0 - 4 e 373 112 etot -6.3454E+01 mv 6 12 76 93 0 - 4 e 257 124 etot -6.5480E+01 mv 6 12 11 200 0 - 4 e 172 132 etot -7.6746E+01 mv 6 12 118 124 0 c 124 517.2 0.3 - 4 e 375 116 etot -6.8395E+01 mv 6 12 76 124 0 - 4 e 453 108 etot -7.0784E+01 mv 6 12 194 83 0 - 4 e 281 126 etot -7.3671E+01 mv 6 12 11 76 0 - 4 e 115 143 etot -6.9507E+01 mv 6 12 54 130 0 c 130 0.8 0.0 - 4 e 144 140 etot -6.5837E+01 mv 6 12 118 134 0 - 4 e 559 102 etot -7.3073E+01 mv 6 12 194 83 0 f 14 556.9 4.4 - 4 e 347 123 etot -6.3405E+01 mv 6 12 11 161 0 - 4 e 440 117 etot -7.3206E+01 mv 6 12 76 50 0 - 4 e 129 145 etot -7.5196E+01 mv 6 12 54 84 0 - 4 e 253 133 etot -7.6216E+01 mv 6 12 118 30 0 - 4 e 298 131 etot -5.6921E+01 mv 6 12 118 120 0 - 4 e 315 129 etot -6.2951E+01 mv 6 12 11 21 0 - -1 e 1 162 etot 1.3528E+20 mv 6 12 71 154 0 - 4 e 269 137 etot -7.6512E+01 mv 6 12 118 71 0 - 4 e 280 138 etot -7.6512E+01 mv 6 12 118 70 0 - 4 e 302 135 etot -7.6512E+01 mv 6 12 118 27 0 - 4 e 159 154 etot -7.4195E+01 mv 6 12 167 160 0 - 4 e 293 141 etot -7.7578E+01 mv 6 12 54 68 0 - 4 e 472 105 etot -7.5822E+01 mv 6 12 194 180 0 c 107 278.1 2.2 - 4 e 242 153 etot -7.5703E+01 mv 6 12 167 4 0 c 167 78.0 0.1 - 4 e 410 120 etot -7.7503E+01 mv 6 12 76 119 0 c 76 122.0 0.0 - 4 e 230 156 etot -7.5570E+01 mv 6 12 167 15 0 - -1 e 1 172 etot 1.3528E+20 mv 6 12 164 67 0 - 4 e 505 130 etot -7.6609E+01 mv 6 12 11 190 0 c 37 389.8 4.8 - 4 e 311 139 etot -7.6415E+01 mv 6 12 118 124 0 - 4 e 352 148 etot -6.9602E+01 mv 6 12 54 122 0 c 122 200.1 0.4 - 4 e 228 160 etot -7.5650E+01 mv 6 12 167 62 0 - 4 e 157 168 etot -7.3582E+01 mv 6 12 71 54 0 f 153 613.9 4.8 - -1 e 1 178 etot 1.3528E+20 mv 6 12 164 193 0 - 4 e 410 114 etot -7.2027E+01 mv 6 12 76 24 0 - 4 e 220 165 etot -7.5263E+01 mv 6 12 71 125 0 f 111 602.8 6.5 - 4 e 323 157 etot -7.0969E+01 mv 6 12 167 66 0 f 158 635.5 2.0 - 4 e 399 150 etot -6.7724E+01 mv 6 12 54 43 0 - 4 e 282 164 etot -6.0260E+01 mv 6 12 71 51 0 - 4 e 662 127 etot -7.8216E+01 mv 6 12 11 154 0 c 160 368.7 1.9 - -1 e 1 185 etot 1.3528E+20 mv 6 12 62 141 0 - 4 e 360 142 etot -7.3034E+01 mv 6 12 54 87 0 - 4 e 450 151 etot -7.5743E+01 mv 6 12 167 49 0 c 48 365.8 1.1 - -1 e 1 188 etot 1.3528E+20 mv 6 12 62 148 0 - 4 e 135 174 etot -6.8483E+01 mv 6 12 164 97 0 - 4 e 712 128 etot -7.1515E+01 mv 6 12 11 37 0 - 4 e 505 149 etot -6.9753E+01 mv 6 12 54 68 0 f 166 683.3 0.8 - 4 e 508 147 etot -6.7501E+01 mv 6 12 54 132 0 - -1 e 1 192 etot 1.3528E+20 mv 6 12 75 69 0 - 4 e 417 163 etot -6.7974E+01 mv 6 12 71 43 0 - 4 e 469 159 etot -7.1162E+01 mv 6 12 167 138 0 - 4 e 471 158 etot -7.8714E+01 mv 6 12 167 115 0 c 115 218.4 8.6 - 4 e 453 136 etot -7.6127E+01 mv 6 12 118 52 0 - 4 e 270 173 etot -7.2284E+01 mv 6 12 164 36 0 - -1 e 1 199 etot 1.3528E+20 mv 6 12 75 39 0 - 4 e 464 144 etot -7.3132E+01 mv 6 12 54 149 0 - 4 e 585 155 etot -7.2093E+01 mv 6 12 167 124 0 - 4 e 290 176 etot -7.4225E+01 mv 6 12 164 132 0 - 4 e 259 181 etot -7.3960E+01 mv 6 12 62 147 0 - 4 e 316 177 etot -7.1436E+01 mv 6 12 164 121 0 f 13 571.5 2.4 - 4 e 263 184 etot -6.6883E+01 mv 6 12 62 79 0 - 4 e 273 183 etot -6.8208E+01 mv 6 12 62 46 0 - 4 e 501 146 etot -7.0685E+01 mv 6 12 54 200 0 - -1 e 1 207 etot 1.3528E+20 mv 2 12 191 -192 0 - 4 e 424 170 etot -7.6731E+01 mv 6 12 71 152 0 c 71 239.1 2.1 - 4 e 591 161 etot -7.0807E+01 mv 6 12 71 95 0 f 38 699.1 1.6 - 4 e 238 180 etot -7.3846E+01 mv 6 12 164 195 0 - 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etot -6.5613E+01 mv 2 12 75 -197 0 - 4 e 370 362 etot -6.9115E+01 mv 1 12 11 -81 0 - 4 e 266 370 etot -7.6678E+01 mv 1 12 118 -67 0 c 118 19.3 0.2 - 4 e 250 364 etot -7.4826E+01 mv 1 12 11 -141 0 c 11 1.9 0.0 - 4 e 268 361 etot -7.4826E+01 mv 1 12 11 -179 0 - 4 e 381 363 etot -6.2847E+01 mv 1 12 11 -34 0 - 4 e 449 355 etot -5.3736E+01 mv 1 12 194 -104 0 - 4 e 345 369 etot -7.7307E+01 mv 1 12 118 -34 0 c 118 218.7 0.6 - 4 e 190 379 etot -6.9315E+01 mv 1 12 167 -72 0 - 4 e 318 371 etot -6.8579E+01 mv 1 12 54 -32 0 - 4 e 209 380 etot -7.5651E+01 mv 1 12 167 -123 0 - 4 e 583 348 etot -6.8581E+01 mv 1 12 72 -35 0 - 4 e 414 352 etot -6.6309E+01 mv 1 12 194 -14 0 - 4 e 561 358 etot -5.8780E+01 mv 1 12 76 -102 0 - 4 e 214 385 etot -7.4670E+01 mv 1 12 71 -143 0 - 8 e 438 349 etot -6.3995E+01 mv 1 12 72 -44 0 - 4 e 589 359 etot -7.2482E+01 mv 1 12 76 -168 0 - 4 e 239 386 etot -7.4095E+01 mv 1 12 164 -131 0 - 4 e 359 378 etot -7.1338E+01 mv 1 12 167 -19 0 - 4 e 290 373 etot -7.8957E+01 mv 1 12 54 -32 0 - 4 e 600 365 etot -6.2649E+01 mv 1 12 11 -72 0 - 4 e 90 401 etot -7.1575E+01 mv 0 12 152 0 0 - 4 e 257 389 etot -7.3179E+01 mv 1 12 164 -181 0 - 4 e 235 390 etot -7.4659E+01 mv 1 12 164 -196 0 - 4 e 675 356 etot -6.7711E+01 mv 1 12 76 -144 0 - 4 e 592 367 etot -7.9006E+01 mv 1 12 118 -141 0 f 122 585.2 9.4 - 4 e 326 375 etot -6.8257E+01 mv 1 12 54 -133 0 - 4 e 196 399 etot -6.9855E+01 mv 1 12 75 -197 0 - 4 e 129 402 etot -8.4725E+01 mv 0 12 191 0 0 c 191 1.8 0.0 - 4 e 67 409 etot -7.7268E+01 mv 0 12 86 0 0 - 4 e 524 372 etot -7.2579E+01 mv 1 12 54 -65 0 f 73 551.9 3.0 - 4 e 261 396 etot -7.6541E+01 mv 1 12 75 -136 0 - 4 e 291 393 etot -7.3225E+01 mv 1 12 62 -72 0 -## N0 total= 14 close= 7 far= 0 %acc 50.0 -## N1 total= 106 close= 14 far= 10 %acc 22.6 -## N2 total= 100 close= 9 far= 4 %acc 13.0 -## N3 total= 0 close= 0 far= 0 %acc 0.0 -## N4 total= 0 close= 0 far= 0 %acc 0.0 -## N5 total= 0 close= 0 far= 0 %acc 0.0 -## N6 total= 200 close= 39 far= 18 %acc 28.5 -## N7 total= 0 close= 0 far= 0 %acc 0.0 -## N8 total= 0 close= 0 far= 0 %acc 0.0 -## N9 total= 0 close= 0 far= 0 %acc 0.0 -##N10 total= 0 close= 0 far= 0 %acc 0.0 -##N11 total= 0 close= 0 far= 0 %acc 0.0 -##N12 total= 0 close= 0 far= 0 %acc 0.0 -##N13 total= 0 close= 0 far= 0 %acc 0.0 -##N14 total= 0 close= 0 far= 0 %acc 0.0 -##N15 total= 0 close= 0 far= 0 %acc 0.0 -##N16 total= 0 close= 0 far= 0 %acc 0.0 -##N17 total= 0 close= 0 far= 0 %acc 0.0 -##N18 total= 0 close= 0 far= 0 %acc 0.0 - Time for refresh 13 0.43 - make_var : nseed= 20 ntry= 420 - Time for make trial 14 0.09 -Nonsetup time 30.46 sec, Eval/s = 61207.80 -Time for iter 14 2.06 sec, Eval/s = 61487.03 - UPDATING 420 - 4 e 61 420 etot -7.6542E+01 mv 0 12 75 0 0 - 4 e 155 419 etot -7.4482E+01 mv 0 12 62 0 0 - 4 e 132 417 etot -7.4670E+01 mv 0 12 71 0 0 - 4 e 502 394 etot -6.5727E+01 mv 1 12 62 -109 0 - 4 e 299 381 etot -7.4670E+01 mv 1 12 71 -111 0 - 4 e 118 412 etot -7.6098E+01 mv 0 12 76 0 0 - 4 e 359 397 etot -5.9511E+01 mv 1 12 75 -105 0 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518.5 0.6 - 4 e 453 392 etot -6.8245E+01 mv 1 12 62 -21 0 - 4 e 137 407 etot -7.9952E+01 mv 0 12 198 0 0 - 4 e 478 388 etot -7.2348E+01 mv 1 12 164 -97 0 - 4 e 52 414 etot -7.6513E+01 mv 0 12 118 0 0 - 4 e 149 403 etot -8.0586E+01 mv 0 12 70 0 0 - 4 e 246 400 etot -7.6541E+01 mv 1 12 75 -69 0 - -1 e 1 27 etot 1.3528E+20 mv 6 13 70 105 0 - 4 e 388 383 etot -7.2273E+01 mv 1 12 71 -111 0 - 4 e 31 7 etot -8.4725E+01 mv 6 13 104 191 0 c 191 0.1 0.0 - 4 e 161 6 etot -7.8168E+01 mv 6 13 104 63 0 - 4 e 188 29 etot -6.7742E+01 mv 6 13 70 113 0 - 4 e 163 20 etot -6.3416E+01 mv 6 13 108 54 0 - 4 e 226 34 etot -7.9850E+01 mv 6 13 192 13 0 - 4 e 265 8 etot -8.9686E+01 mv 6 13 104 59 0 c 104 4.7 0.2 - 4 e 356 1 etot -8.0972E+01 mv 6 13 104 8 0 - 4 e 379 4 etot -9.0637E+01 mv 6 13 104 18 0 c 104 295.8 1.0 - 4 e 249 42 etot -7.0085E+01 mv 6 13 24 58 0 - 4 e 423 11 etot -6.1757E+01 mv 6 13 108 133 0 - 4 e 660 3 etot -7.4334E+01 mv 6 13 104 168 0 - 4 e 340 5 etot -7.8088E+01 mv 6 13 104 164 0 c 101 397.6 0.5 - 4 e 621 36 etot -7.9718E+01 mv 6 13 192 123 0 - 4 e 170 41 etot -7.6083E+01 mv 6 13 24 145 0 c 145 2.2 0.0 - 4 e 600 9 etot -8.5592E+01 mv 6 13 104 89 0 - 4 e 488 10 etot -7.9493E+01 mv 6 13 104 65 0 - 4 e 258 12 etot -6.3629E+01 mv 6 13 108 71 0 - 4 e 539 21 etot -7.1493E+01 mv 6 13 70 55 0 - 4 e 633 23 etot -8.4865E+01 mv 6 13 70 94 0 c 22 478.7 3.0 - 4 e 335 15 etot -6.9643E+01 mv 6 13 108 147 0 - 4 e 516 16 etot -7.6935E+01 mv 6 13 108 29 0 - -1 e 1 47 etot 1.3528E+20 mv 6 13 24 86 0 - 4 e 503 17 etot -7.8441E+01 mv 6 13 108 185 0 - 4 e 379 18 etot -6.9878E+01 mv 6 13 108 55 0 - 4 e 548 19 etot -7.4889E+01 mv 6 13 108 178 0 f 186 610.3 5.2 - 4 e 241 39 etot -7.9179E+01 mv 6 13 192 117 0 - 4 e 448 22 etot -7.6622E+01 mv 6 13 70 53 0 - 4 e 333 24 etot -8.0773E+01 mv 6 13 70 40 0 - 4 e 646 25 etot -8.1574E+01 mv 6 13 70 57 0 c 57 287.1 2.2 - 4 e 525 26 etot -8.5147E+01 mv 6 13 70 200 0 c 70 193.2 3.8 - 4 e 428 28 etot -7.9088E+01 mv 6 13 70 25 0 - 4 e 285 30 etot 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-8.1455E+01 mv 1 13 135 -125 0 - 4 e 625 343 etot -7.1974E+01 mv 1 13 174 -181 0 f 195 586.3 1.8 - 4 e 422 359 etot -7.9259E+01 mv 1 13 87 -88 0 f 110 573.2 9.0 - 4 e 227 383 etot -6.7836E+01 mv 1 13 128 -166 0 - 4 e 415 363 etot -7.7932E+01 mv 1 13 88 -163 0 - 4 e 485 357 etot -7.6570E+01 mv 1 13 87 -173 0 - 4 e 60 403 etot -8.1304E+01 mv 0 13 70 0 0 - 4 e 172 392 etot -7.1755E+01 mv 1 13 160 -21 0 f 138 664.3 1.2 - 4 e 418 368 etot -6.3483E+01 mv 1 13 135 -170 0 - 4 e 209 389 etot -7.7504E+01 mv 1 13 76 -28 0 - 4 e 472 361 etot -7.4318E+01 mv 1 13 88 -146 0 - 4 e 105 402 etot -8.0936E+01 mv 0 13 108 0 0 c 108 1.8 0.0 - 4 e 476 364 etot -7.9497E+01 mv 1 13 88 -18 0 c 88 59.3 1.1 - 4 e 732 308 etot -7.9576E+01 mv 1 13 108 -129 0 - 4 e 93 405 etot -8.1663E+01 mv 0 13 24 0 0 - 4 e 395 380 etot -7.4164E+01 mv 1 13 188 -151 0 - 4 e 65 409 etot -8.6223E+01 mv 0 13 174 0 0 c 174 0.6 0.0 - 4 e 115 406 etot -8.2050E+01 mv 0 13 1 0 0 - 4 e 94 408 etot -7.9258E+01 mv 0 13 49 0 0 c 49 1.3 0.0 - 4 e 73 412 etot -7.8940E+01 mv 0 13 87 0 0 c 87 0.5 0.0 -## N0 total= 24 close= 8 far= 0 %acc 33.3 -## N1 total= 96 close= 4 far= 5 %acc 9.4 -## N2 total= 100 close= 9 far= 3 %acc 12.0 -## N3 total= 0 close= 0 far= 0 %acc 0.0 -## N4 total= 0 close= 0 far= 0 %acc 0.0 -## N5 total= 0 close= 0 far= 0 %acc 0.0 -## N6 total= 200 close= 43 far= 15 %acc 29.0 -## N7 total= 0 close= 0 far= 0 %acc 0.0 -## N8 total= 0 close= 0 far= 0 %acc 0.0 -## N9 total= 0 close= 0 far= 0 %acc 0.0 -##N10 total= 0 close= 0 far= 0 %acc 0.0 -##N11 total= 0 close= 0 far= 0 %acc 0.0 -##N12 total= 0 close= 0 far= 0 %acc 0.0 -##N13 total= 0 close= 0 far= 0 %acc 0.0 -##N14 total= 0 close= 0 far= 0 %acc 0.0 -##N15 total= 0 close= 0 far= 0 %acc 0.0 -##N16 total= 0 close= 0 far= 0 %acc 0.0 -##N17 total= 0 close= 0 far= 0 %acc 0.0 -##N18 total= 0 close= 0 far= 0 %acc 0.0 - Time for refresh 14 0.29 - make_var : nseed= 20 ntry= 420 - Time for make trial 15 0.04 -Nonsetup time 32.32 sec, Eval/s = 61790.06 -Time for iter 15 1.86 sec, Eval/s = 71350.16 - UPDATING 420 - 4 e 417 387 etot -7.0230E+01 mv 1 13 76 -109 0 - 4 e 122 420 etot -7.9370E+01 mv 0 13 57 0 0 - 4 e 205 404 etot -8.1191E+01 mv 0 13 192 0 0 - 4 e 106 411 etot -7.9007E+01 mv 0 13 122 0 0 c 122 0.9 0.0 - 4 e 518 379 etot -7.6413E+01 mv 1 13 188 -135 0 - 4 e 101 416 etot -7.8434E+01 mv 0 13 188 0 0 - 4 e 318 393 etot -8.0534E+01 mv 1 13 160 -178 0 c 160 220.5 0.1 - 4 e 653 373 etot -6.9698E+01 mv 1 13 115 -18 0 - -1 e 1 1 etot 1.3528E+20 mv 6 14 61 135 0 - 4 e 94 413 etot -7.8276E+01 mv 0 13 88 0 0 - 4 e 130 407 etot -7.9678E+01 mv 0 13 72 0 0 - 4 e 326 388 etot -6.5426E+01 mv 1 13 76 -164 0 - 4 e 134 418 etot -7.7504E+01 mv 0 13 76 0 0 - 4 e 548 394 etot -7.7645E+01 mv 1 13 160 -131 0 - 4 e 147 415 etot -7.8716E+01 mv 0 13 115 0 0 - 4 e 255 400 etot -6.5066E+01 mv 1 13 57 -25 0 - 4 e 562 395 etot -7.8724E+01 mv 1 13 160 -42 0 - 4 e 93 417 etot -7.8171E+01 mv 0 13 128 0 0 - 4 e 106 419 etot -7.8217E+01 mv 0 13 160 0 0 - 4 e 278 396 etot -6.7386E+01 mv 1 13 57 -150 0 - 4 e 623 399 etot -7.9907E+01 mv 1 13 57 -60 0 - -1 e 1 13 etot 1.3528E+20 mv 6 14 136 55 0 - 4 e 363 386 etot -6.8335E+01 mv 1 13 76 -148 0 - 4 e 95 410 etot -7.9382E+01 mv 0 13 4 0 0 - 4 e 777 360 etot -8.0268E+01 mv 1 13 87 -151 0 - 4 e 353 398 etot -7.9565E+01 mv 1 13 57 -136 0 - 4 e 123 414 etot -8.1862E+01 mv 0 13 135 0 0 c 135 1.3 0.0 - 4 e 591 390 etot -7.3644E+01 mv 1 13 76 -124 0 - 4 e 324 384 etot -6.8653E+01 mv 1 13 128 -198 0 - 4 e 154 401 etot -8.9491E+01 mv 0 13 104 0 0 - 4 e 238 391 etot -7.8217E+01 mv 1 13 160 -154 0 - 4 e 502 365 etot -7.7194E+01 mv 1 13 88 -19 0 - 4 e 334 397 etot -7.7564E+01 mv 1 13 57 -1 0 f 34 518.6 7.0 - 4 e 47 10 etot -7.2441E+01 mv 6 14 61 20 0 c 20 0.2 0.0 - 4 e 175 3 etot -7.6146E+01 mv 6 14 61 26 0 c 26 130.0 0.8 - 4 e 139 34 etot -7.2051E+01 mv 6 14 70 136 0 - 4 e 188 27 etot -7.0154E+01 mv 6 14 8 46 0 - 4 e 193 2 etot -7.8339E+01 mv 6 14 61 21 0 c 61 16.3 0.0 - 4 e 210 4 etot -7.2897E+01 mv 6 14 61 190 0 - 4 e 232 8 etot -7.8738E+01 mv 6 14 61 196 0 c 61 325.1 0.4 - 4 e 267 6 etot -8.3828E+01 mv 6 14 61 191 0 - 4 e 235 21 etot -6.9937E+01 mv 6 14 8 121 0 - 4 e 244 24 etot -7.9240E+01 mv 6 14 8 167 0 - 4 e 255 25 etot -6.8505E+01 mv 6 14 8 28 0 - -1 e 1 44 etot 1.3528E+20 mv 6 14 145 181 0 - 4 e 275 22 etot -7.7471E+01 mv 6 14 8 89 0 - 4 e 293 31 etot -8.5149E+01 mv 6 14 70 166 0 c 70 3.4 0.0 - 4 e 366 7 etot -7.9196E+01 mv 6 14 61 55 0 c 61 376.7 0.5 - 4 e 322 9 etot -7.8463E+01 mv 6 14 61 96 0 - 4 e 303 23 etot -7.0770E+01 mv 6 14 8 172 0 - 4 e 312 26 etot -7.2940E+01 mv 6 14 8 47 0 - 4 e 320 29 etot -8.2258E+01 mv 6 14 8 81 0 - 4 e 385 19 etot -8.3315E+01 mv 6 14 136 1 0 - 4 e 510 5 etot -6.8303E+01 mv 6 14 61 90 0 - 4 e 283 39 etot -6.7124E+01 mv 6 14 70 144 0 - 4 e 402 18 etot -6.2142E+01 mv 6 14 136 155 0 - 4 e 369 14 etot -6.4666E+01 mv 6 14 136 39 0 - 4 e 407 16 etot -8.2685E+01 mv 6 14 136 174 0 - 4 e 298 37 etot -6.2898E+01 mv 6 14 70 25 0 - 4 e 487 28 etot -7.1833E+01 mv 6 14 8 49 0 - 4 e 486 30 etot -7.9602E+01 mv 6 14 8 155 0 - 4 e 499 33 etot -7.5453E+01 mv 6 14 70 18 0 f 7 549.1 4.9 - 4 e 125 52 etot -7.6732E+01 mv 6 14 198 71 0 c 71 1.5 0.0 - 4 e 248 42 etot -8.0926E+01 mv 6 14 145 67 0 c 145 79.0 0.1 - -1 e 1 64 etot 1.3528E+20 mv 6 14 115 189 0 - 4 e 525 32 etot -7.4856E+01 mv 6 14 70 165 0 - 4 e 587 12 etot -7.9047E+01 mv 6 14 136 6 0 - 4 e 629 11 etot -8.1082E+01 mv 6 14 136 43 0 - 4 e 478 36 etot -7.1781E+01 mv 6 14 70 199 0 c 199 43.6 0.5 - 4 e 554 15 etot -8.5188E+01 mv 6 14 136 13 0 - 4 e 366 38 etot -8.4374E+01 mv 6 14 70 42 0 - 4 e 490 41 etot -8.1077E+01 mv 6 14 145 174 0 c 145 189.4 0.2 - 4 e 210 51 etot -7.4086E+01 mv 6 14 198 81 0 - 4 e 449 40 etot -8.1904E+01 mv 6 14 70 141 0 - 4 e 242 50 etot -6.2236E+01 mv 6 14 145 187 0 - 4 e 270 53 etot -7.9952E+01 mv 6 14 198 127 0 - 4 e 644 17 etot -7.1054E+01 mv 6 14 136 141 0 f 113 610.3 0.4 - -1 e 1 77 etot 1.0974E+21 mv 6 14 119 195 0 - 4 e 695 20 etot -6.7829E+01 mv 6 14 136 165 0 - 4 e 327 54 etot -6.9549E+01 mv 6 14 198 21 0 - 4 e 472 48 etot -7.9457E+01 mv 6 14 145 57 0 - 4 e 366 43 etot -7.0188E+01 mv 6 14 145 47 0 - 4 e 236 57 etot -6.9678E+01 mv 6 14 198 3 0 - 4 e 464 35 etot -7.1698E+01 mv 6 14 70 94 0 f 66 583.9 1.0 - 4 e 361 47 etot -8.3497E+01 mv 6 14 145 104 0 - 4 e 340 56 etot -7.9931E+01 mv 6 14 198 111 0 - 4 e 382 46 etot -8.2078E+01 mv 6 14 145 80 0 c 145 163.8 1.0 - 4 e 390 45 etot -6.8872E+01 mv 6 14 145 149 0 - 4 e 249 58 etot -7.7745E+01 mv 6 14 198 92 0 c 92 3.6 0.0 - 4 e 245 59 etot -7.9334E+01 mv 6 14 198 74 0 - 4 e 476 55 etot -7.6748E+01 mv 6 14 198 21 0 - 4 e 248 62 etot -8.2294E+01 mv 6 14 115 61 0 c 115 32.7 0.5 - 4 e 437 49 etot -8.0310E+01 mv 6 14 145 30 0 - 4 e 252 72 etot -7.8698E+01 mv 6 14 119 8 0 - 4 e 235 63 etot -7.9929E+01 mv 6 14 115 10 0 - 4 e 261 74 etot -7.5353E+01 mv 6 14 119 197 0 - 4 e 282 76 etot -6.2715E+01 mv 6 14 119 78 0 - 4 e 240 81 etot -7.0736E+01 mv 6 14 160 157 0 - 4 e 337 69 etot -8.1240E+01 mv 6 14 115 100 0 - 4 e 363 67 etot -6.5826E+01 mv 6 14 115 92 0 - -1 e 1 99 etot 1.3528E+20 mv 6 14 72 169 0 - 4 e 258 80 etot -7.0672E+01 mv 6 14 119 139 0 - -1 e 1 100 etot 1.5505E+20 mv 6 14 72 4 0 - 4 e 323 71 etot -7.0665E+01 mv 6 14 119 29 0 - 4 e 239 82 etot -7.8278E+01 mv 6 14 160 122 0 - 4 e 335 70 etot -8.1154E+01 mv 6 14 115 8 0 - 4 e 360 61 etot -7.9330E+01 mv 6 14 115 148 0 - 4 e 398 65 etot -7.7681E+01 mv 6 14 115 79 0 f 83 533.0 7.0 - -1 e 1 108 etot 1.3528E+20 mv 6 14 117 32 0 - 4 e 164 94 etot -6.3717E+01 mv 6 14 72 131 0 - 4 e 357 79 etot -7.7163E+01 mv 6 14 119 128 0 - 4 e 346 66 etot -7.9081E+01 mv 6 14 115 22 0 - 4 e 274 88 etot -7.8040E+01 mv 6 14 160 92 0 - 4 e 185 96 etot -7.3885E+01 mv 6 14 72 70 0 - 4 e 147 103 etot -7.4818E+01 mv 6 14 117 116 0 c 116 495.1 3.1 - 4 e 534 68 etot -7.2758E+01 mv 6 14 115 50 0 - 4 e 238 97 etot -7.8707E+01 mv 6 14 72 17 0 - 4 e 225 102 etot -7.1405E+01 mv 6 14 117 181 0 - 4 e 409 87 etot -8.1163E+01 mv 6 14 160 169 0 c 160 273.1 0.6 - 4 e 313 85 etot -7.0917E+01 mv 6 14 160 113 0 - 4 e 343 73 etot -7.3897E+01 mv 6 14 119 146 0 f 102 590.0 3.1 - 4 e 441 83 etot -7.7927E+01 mv 6 14 160 6 0 - 4 e 251 98 etot -7.4763E+01 mv 6 14 72 111 0 f 38 535.8 4.0 - 4 e 415 89 etot -7.4990E+01 mv 6 14 160 168 0 - -1 e 1 124 etot 1.3528E+20 mv 6 14 86 81 0 - 4 e 541 78 etot -7.6063E+01 mv 6 14 119 111 0 c 15 355.2 0.5 - 4 e 518 60 etot -7.9332E+01 mv 6 14 198 199 0 - 4 e 519 86 etot -7.8194E+01 mv 6 14 160 6 0 - 4 e 432 91 etot -8.1048E+01 mv 6 14 72 106 0 - 4 e 551 84 etot -8.2923E+01 mv 6 14 160 119 0 - 4 e 599 75 etot -7.9474E+01 mv 6 14 119 125 0 - 4 e 208 114 etot -7.8021E+01 mv 6 14 88 130 0 - 4 e 160 123 etot -7.6995E+01 mv 6 14 86 59 0 - 4 e 324 111 etot -6.6302E+01 mv 6 14 88 90 0 - 4 e 359 106 etot -7.6747E+01 mv 6 14 117 17 0 f 146 588.2 5.9 - 4 e 202 117 etot -7.8667E+01 mv 6 14 88 15 0 - 4 e 204 118 etot -7.5740E+01 mv 6 14 88 152 0 - 4 e 310 115 etot -6.6066E+01 mv 6 14 88 49 0 - 4 e 367 92 etot -8.1528E+01 mv 6 14 72 166 0 c 178 40.6 0.3 - 4 e 416 105 etot -7.5708E+01 mv 6 14 117 105 0 - 4 e 568 93 etot -7.2476E+01 mv 6 14 72 176 0 - 4 e 160 130 etot -7.3451E+01 mv 6 14 86 165 0 - -1 e 1 142 etot 1.3528E+20 mv 6 14 23 115 0 - 4 e 462 104 etot -7.6745E+01 mv 6 14 117 51 0 - 4 e 297 107 etot -7.9459E+01 mv 6 14 117 6 0 - -1 e 1 145 etot 1.3528E+20 mv 6 14 23 115 0 - 4 e 441 109 etot -7.4605E+01 mv 6 14 117 77 0 - 4 e 433 110 etot -6.6388E+01 mv 6 14 117 11 0 - 4 e 557 101 etot -7.4292E+01 mv 6 14 117 97 0 c 97 230.4 0.1 - 4 e 302 119 etot -7.9167E+01 mv 6 14 88 108 0 - 4 e 191 121 etot -7.8431E+01 mv 6 14 86 195 0 - 4 e 383 116 etot -7.6260E+01 mv 6 14 88 156 0 - 4 e 474 90 etot -8.0392E+01 mv 6 14 160 6 0 - 4 e 184 133 etot -7.3457E+01 mv 6 14 128 165 0 c 165 0.9 0.0 - 4 e 343 125 etot -7.8403E+01 mv 6 14 86 99 0 - 4 e 282 128 etot -6.8255E+01 mv 6 14 86 16 0 - 4 e 367 122 etot -7.4903E+01 mv 6 14 86 127 0 - 4 e 163 138 etot -7.7925E+01 mv 6 14 128 101 0 - 4 e 413 95 etot -8.0900E+01 mv 6 14 72 137 0 - 4 e 291 131 etot -7.4902E+01 mv 6 14 128 34 0 - 4 e 132 143 etot -8.4327E+01 mv 6 14 23 123 0 c 123 1.8 0.0 - -1 e 1 161 etot 1.3528E+20 mv 6 14 134 32 0 - 4 e 515 113 etot -7.1890E+01 mv 6 14 88 85 0 f 28 746.8 1.1 - 4 e 395 126 etot -7.2420E+01 mv 6 14 86 14 0 - 4 e 206 137 etot -7.8009E+01 mv 6 14 128 78 0 - -1 e 1 165 etot 1.3528E+20 mv 6 14 134 25 0 - 4 e 326 129 etot -7.7130E+01 mv 6 14 86 123 0 - 4 e 167 139 etot -5.8448E+01 mv 6 14 128 199 0 - 4 e 289 134 etot -8.3745E+01 mv 6 14 128 101 0 c 128 486.6 5.5 - 4 e 375 132 etot -7.6359E+01 mv 6 14 128 141 0 f 17 578.4 5.5 - 4 e 232 147 etot -8.4823E+01 mv 6 14 23 47 0 - 4 e 302 140 etot -7.4356E+01 mv 6 14 128 92 0 - 4 e 339 136 etot -7.6782E+01 mv 6 14 128 79 0 c 79 320.5 3.5 - 4 e 312 141 etot -8.5695E+01 mv 6 14 23 57 0 c 23 1.9 0.0 - 4 e 124 159 etot -8.2584E+01 mv 6 14 76 197 0 c 197 0.5 0.0 - 4 e 252 149 etot -8.1156E+01 mv 6 14 23 127 0 c 127 4.0 0.0 - 4 e 220 154 etot -6.0125E+01 mv 6 14 76 185 0 - 4 e 312 144 etot -7.3125E+01 mv 6 14 23 66 0 f 158 605.7 2.2 - 4 e 396 135 etot -6.9777E+01 mv 6 14 128 199 0 - 4 e 227 156 etot -6.4909E+01 mv 6 14 76 169 0 - -1 e 1 180 etot 4.1619E+32 mv 6 14 110 159 0 - 4 e 196 164 etot -5.6989E+01 mv 6 14 134 98 0 - 4 e 519 112 etot -8.0866E+01 mv 6 14 88 130 0 c 110 392.1 1.6 - 4 e 410 127 etot -8.0299E+01 mv 6 14 86 2 0 - 4 e 351 150 etot -8.6619E+01 mv 6 14 23 9 0 c 23 233.7 0.9 - 4 e 332 152 etot -7.7900E+01 mv 6 14 76 142 0 c 78 142.8 0.8 - 8 e 114 174 etot -6.3988E+01 mv 6 14 110 138 0 - 4 e 422 148 etot -8.6618E+01 mv 6 14 23 14 0 - 4 e 178 172 etot -7.9167E+01 mv 6 14 110 36 0 f 64 526.6 8.2 - 4 e 148 177 etot -7.4386E+01 mv 6 14 110 99 0 c 99 2.2 0.0 - 4 e 286 151 etot -7.7159E+01 mv 6 14 76 55 0 - 4 e 373 158 etot -7.3699E+01 mv 6 14 76 27 0 - 4 e 383 155 etot -6.6172E+01 mv 6 14 76 183 0 - 4 e 367 163 etot -8.1412E+01 mv 6 14 134 178 0 - 4 e 300 153 etot -7.7371E+01 mv 6 14 76 50 0 c 37 288.5 0.8 - 4 e 536 120 etot -6.9678E+01 mv 6 14 88 55 0 - 4 e 85 189 etot -7.0970E+01 mv 6 14 109 158 0 - 4 e 400 167 etot -7.5931E+01 mv 6 14 134 138 0 - 4 e 273 176 etot -7.8286E+01 mv 6 14 110 52 0 - 4 e 326 171 etot -7.7863E+01 mv 6 14 110 123 0 - 4 e 382 169 etot -7.9128E+01 mv 6 14 134 152 0 - 4 e 266 179 etot -7.7878E+01 mv 6 14 110 126 0 - 4 e 220 186 etot -7.9801E+01 mv 6 14 109 127 0 c 109 34.1 0.3 - 4 e 507 160 etot -7.1732E+01 mv 6 14 76 190 0 - 4 e 502 166 etot -6.0752E+01 mv 6 14 134 41 0 - 4 e 535 157 etot -6.8528E+01 mv 6 14 76 55 0 - 4 e 457 170 etot -7.8168E+01 mv 6 14 134 75 0 - 4 e 269 188 etot -6.6009E+01 mv 6 14 109 144 0 - 4 e 262 190 etot -7.2448E+01 mv 6 14 109 127 0 - 4 e 420 181 etot -6.6104E+01 mv 6 14 109 76 0 - 4 e 195 199 etot -6.4116E+01 mv 6 14 188 117 0 - 4 e 267 184 etot -7.7822E+01 mv 6 14 109 159 0 - 4 e 213 198 etot -7.6582E+01 mv 6 14 188 119 0 - 4 e 259 197 etot -7.0787E+01 mv 6 14 188 150 0 - -1 e 1 214 etot 4.6730E+22 mv 2 14 8 -30 0 - 4 e 377 187 etot -7.9506E+01 mv 6 14 109 10 0 - 4 e 307 193 etot -7.4572E+01 mv 6 14 188 9 0 - -1 e 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etot -6.5825E+01 mv 2 14 198 -127 0 - 4 e 325 231 etot -8.1764E+01 mv 2 14 115 -90 0 - -1 e 1 279 etot 1.3528E+20 mv 2 14 76 -182 0 - 4 e 563 228 etot -7.7356E+01 mv 2 14 198 -147 0 c 103 371.1 0.5 - 4 e 217 260 etot -7.9499E+01 mv 2 14 88 -69 0 c 88 2.2 0.0 - 4 e 339 250 etot -7.6835E+01 mv 2 14 72 -131 0 - 4 e 251 258 etot -6.3795E+01 mv 2 14 88 -128 0 - 4 e 467 238 etot -7.7594E+01 mv 2 14 119 -128 0 - 4 e 172 270 etot -7.7767E+01 mv 2 14 128 -172 0 f 46 593.3 6.7 - 4 e 338 251 etot -7.0326E+01 mv 2 14 117 -103 0 - 4 e 257 262 etot -6.7840E+01 mv 2 14 86 -148 0 - 4 e 362 234 etot -8.1726E+01 mv 2 14 115 -200 0 - 4 e 218 266 etot -7.8224E+01 mv 2 14 128 -58 0 c 46 179.5 0.5 - 4 e 315 261 etot -6.3365E+01 mv 2 14 86 -27 0 - 4 e 225 271 etot -8.4683E+01 mv 2 14 23 -40 0 - -1 e 1 292 etot 1.3528E+20 mv 2 14 109 -150 0 - 4 e 153 276 etot -7.6628E+01 mv 2 14 76 -179 0 - 4 e 130 284 etot -6.4842E+01 mv 2 14 134 -48 0 - -1 e 1 295 etot 1.3528E+20 mv 2 14 109 -43 0 - 4 e 384 256 etot 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-11 0 - 4 e 469 282 etot -6.7541E+01 mv 2 14 134 -51 0 - 4 e 251 304 etot -6.1940E+01 mv 1 14 61 -171 0 - 4 e 285 303 etot -7.8210E+01 mv 1 14 61 -120 0 - 4 e 328 301 etot -7.8299E+01 mv 1 14 61 -138 0 - 4 e 562 281 etot -7.0210E+01 mv 2 14 134 -54 0 - 4 e 361 300 etot -7.0362E+01 mv 2 14 188 -176 0 - -1 e 1 321 etot 1.3528E+20 mv 1 14 145 -113 0 - -1 e 1 322 etot 1.3528E+20 mv 1 14 145 -13 0 - -1 e 1 323 etot 1.3528E+20 mv 1 14 145 -173 0 - 4 e 312 305 etot -7.0041E+01 mv 1 14 61 -67 0 - 4 e 438 294 etot -6.8721E+01 mv 2 14 109 -172 0 - 4 e 553 288 etot -5.6019E+01 mv 2 14 110 -55 0 - -1 e 1 328 etot 1.3528E+20 mv 1 14 198 -43 0 - 4 e 459 298 etot -7.8656E+01 mv 2 14 188 -192 0 - 4 e 471 297 etot -7.6292E+01 mv 2 14 188 -189 0 - 4 e 316 309 etot -6.5312E+01 mv 1 14 136 -119 0 - -1 e 1 332 etot 1.3528E+20 mv 1 14 115 -23 0 - 4 e 457 299 etot -6.8091E+01 mv 2 14 188 -161 0 - 4 e 638 283 etot -6.5188E+01 mv 2 14 134 -184 0 - -1 e 1 335 etot 1.3528E+20 mv 1 14 115 -52 0 - 4 e 609 287 etot -6.9798E+01 mv 2 14 110 -5 0 - 4 e 533 296 etot -7.4561E+01 mv 2 14 188 -99 0 - 4 e 397 306 etot -8.3763E+01 mv 1 14 136 -144 0 - 4 e 510 274 etot -6.9542E+01 mv 2 14 23 -185 0 - 4 e 402 307 etot -7.0306E+01 mv 1 14 136 -23 0 - 4 e 619 290 etot -8.2808E+01 mv 2 14 110 -188 0 c 64 336.7 3.5 - 4 e 323 315 etot -8.2830E+01 mv 1 14 8 -18 0 - 4 e 370 313 etot -8.3221E+01 mv 1 14 8 -23 0 c 8 11.0 0.4 - 4 e 554 280 etot -7.3206E+01 mv 2 14 76 -185 0 - 4 e 500 310 etot -6.3583E+01 mv 1 14 136 -175 0 - 4 e 644 273 etot -8.5786E+01 mv 2 14 23 -115 0 f 132 528.5 14.6 - 4 e 511 308 etot -8.3533E+01 mv 1 14 136 -174 0 - 4 e 205 331 etot -8.1129E+01 mv 1 14 115 -38 0 - 4 e 268 325 etot -6.4142E+01 mv 1 14 145 -113 0 - 4 e 297 320 etot -8.5149E+01 mv 1 14 70 -176 0 c 70 1.7 0.0 - 4 e 373 318 etot -7.0690E+01 mv 1 14 70 -176 0 - 4 e 234 330 etot -8.0309E+01 mv 1 14 198 -19 0 c 198 2.4 0.0 - 4 e 331 319 etot -8.5149E+01 mv 1 14 70 -9 0 c 70 1.9 0.0 - 4 e 192 339 etot -8.1272E+01 mv 1 14 119 -39 0 - 4 e 235 334 etot -7.2047E+01 mv 1 14 115 -153 0 - -1 e 1 356 etot 1.3528E+20 mv 1 14 88 -156 0 - -1 e 1 357 etot 1.3528E+20 mv 1 14 88 -84 0 - 4 e 311 327 etot -8.0409E+01 mv 1 14 198 -64 0 c 198 42.0 0.1 - 4 e 370 311 etot -8.3262E+01 mv 1 14 8 -12 0 c 8 215.3 0.0 - 4 e 603 289 etot -6.3325E+01 mv 2 14 110 -168 0 - 4 e 278 337 etot -6.0920E+01 mv 1 14 119 -167 0 - 4 e 284 336 etot -8.1272E+01 mv 1 14 119 -1 0 - 4 e 379 324 etot -7.3043E+01 mv 1 14 145 -85 0 f 100 602.2 1.7 - 4 e 392 326 etot -7.0242E+01 mv 1 14 198 -190 0 - 4 e 131 347 etot -5.4482E+01 mv 1 14 72 -19 0 - 4 e 481 312 etot -6.4186E+01 mv 1 14 8 -182 0 - 4 e 595 317 etot -7.2982E+01 mv 1 14 70 -82 0 - 4 e 292 344 etot -8.0393E+01 mv 1 14 160 -128 0 - 4 e 265 346 etot -7.5189E+01 mv 1 14 72 -83 0 - -1 e 1 370 etot 1.3528E+20 mv 1 14 128 -15 0 - 4 e 197 359 etot -7.9499E+01 mv 1 14 88 -52 0 - 4 e 397 342 etot -6.9480E+01 mv 1 14 160 -72 0 - -1 e 1 373 etot 1.3528E+20 mv 1 14 23 -30 0 - 4 e 239 355 etot -8.6548E+01 mv 1 14 117 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-5.9431E+01 mv 1 14 128 -70 0 - 4 e 415 364 etot -7.6120E+01 mv 1 14 86 -146 0 - 4 e 424 362 etot -7.2657E+01 mv 1 14 86 -19 0 - -1 e 1 396 etot 1.3528E+20 mv 1 14 188 -122 0 - 4 e 261 377 etot -6.4989E+01 mv 1 14 76 -90 0 - 4 e 272 379 etot -6.9379E+01 mv 1 14 76 -175 0 - 4 e 234 385 etot -8.4970E+01 mv 1 14 134 -161 0 - 4 e 275 366 etot -7.8287E+01 mv 1 14 128 -93 0 c 46 59.4 0.1 - 4 e 155 390 etot -7.9261E+01 mv 1 14 110 -152 0 - 4 e 620 354 etot -8.0893E+01 mv 1 14 117 -187 0 - 4 e 649 350 etot -8.0039E+01 mv 1 14 72 -180 0 c 72 267.5 0.1 - 4 e 557 363 etot -6.7597E+01 mv 1 14 86 -33 0 - 4 e 319 384 etot -8.6411E+01 mv 1 14 134 -178 0 c 134 2.0 0.0 - 4 e 77 403 etot -8.2831E+01 mv 0 14 8 0 0 - 4 e 423 372 etot -7.7480E+01 mv 1 14 23 -182 0 - 4 e 244 391 etot -7.9590E+01 mv 1 14 109 -10 0 - 4 e 278 387 etot -5.5467E+01 mv 1 14 110 -127 0 - 4 e 142 401 etot -7.8300E+01 mv 0 14 61 0 0 - 4 e 469 368 etot -7.8223E+01 mv 1 14 128 -88 0 - 4 e 107 402 etot -8.3764E+01 mv 0 14 136 0 0 c 136 1.1 0.0 - 4 e 288 388 etot -7.9961E+01 mv 1 14 110 -86 0 - 4 e 513 369 etot -7.0896E+01 mv 1 14 128 -144 0 - 4 e 240 393 etot -8.1708E+01 mv 1 14 109 -20 0 - 4 e 282 382 etot -7.2565E+01 mv 1 14 134 -43 0 f 63 528.5 1.2 - 4 e 485 374 etot -7.9575E+01 mv 1 14 23 -37 0 f 13 577.8 8.1 - 4 e 232 397 etot -7.9441E+01 mv 1 14 188 -69 0 -## N0 total= 16 close= 3 far= 0 %acc 18.8 -## N1 total= 104 close= 13 far= 4 %acc 16.3 -## N2 total= 100 close= 8 far= 3 %acc 11.0 -## N3 total= 0 close= 0 far= 0 %acc 0.0 -## N4 total= 0 close= 0 far= 0 %acc 0.0 -## N5 total= 0 close= 0 far= 0 %acc 0.0 -## N6 total= 200 close= 33 far= 12 %acc 22.5 -## N7 total= 0 close= 0 far= 0 %acc 0.0 -## N8 total= 0 close= 0 far= 0 %acc 0.0 -## N9 total= 0 close= 0 far= 0 %acc 0.0 -##N10 total= 0 close= 0 far= 0 %acc 0.0 -##N11 total= 0 close= 0 far= 0 %acc 0.0 -##N12 total= 0 close= 0 far= 0 %acc 0.0 -##N13 total= 0 close= 0 far= 0 %acc 0.0 -##N14 total= 0 close= 0 far= 0 %acc 0.0 -##N15 total= 0 close= 0 far= 0 %acc 0.0 -##N16 total= 0 close= 0 far= 0 %acc 0.0 -##N17 total= 0 close= 0 far= 0 %acc 0.0 -##N18 total= 0 close= 0 far= 0 %acc 0.0 - Time for refresh 15 0.70 - make_var : nseed= 20 ntry= 420 - Time for make trial 16 0.07 -Nonsetup time 34.57 sec, Eval/s = 61381.91 -Time for iter 16 2.25 sec, Eval/s = 55508.81 - UPDATING 420 - 4 e 155 409 etot -8.0393E+01 mv 0 14 160 0 0 - 4 e 120 407 etot -8.1765E+01 mv 0 14 115 0 0 - 4 e 60 413 etot -7.8450E+01 mv 0 14 86 0 0 c 86 0.6 0.0 - 4 e 123 411 etot -8.6549E+01 mv 0 14 117 0 0 c 117 0.4 0.0 - 4 e 133 415 etot -8.5695E+01 mv 0 14 23 0 0 - 4 e 128 412 etot -7.9499E+01 mv 0 14 88 0 0 c 88 0.8 0.0 - 4 e 511 399 etot -7.1624E+01 mv 1 14 188 -50 0 - 4 e 590 375 etot -8.1450E+01 mv 1 14 23 -96 0 - -1 e 1 1 etot 1.3528E+20 mv 6 15 68 62 0 - 4 e 109 406 etot -8.0309E+01 mv 0 14 198 0 0 - -1 e 1 2 etot 1.3528E+20 mv 6 15 68 166 0 - 4 e 80 416 etot -7.8064E+01 mv 0 14 76 0 0 c 76 1.0 0.0 - 4 e 115 405 etot -8.0781E+01 mv 0 14 145 0 0 c 74 270.0 1.4 - 4 e 198 419 etot -7.9507E+01 mv 0 14 109 0 0 - 4 e 669 365 etot -6.6273E+01 mv 1 14 86 -190 0 - 4 e 568 383 etot -7.7579E+01 mv 1 14 134 -121 0 - 4 e 104 408 etot -8.1273E+01 mv 0 14 119 0 0 - 4 e 542 378 etot -7.1528E+01 mv 1 14 76 -30 0 f 45 496.8 0.0 - 4 e 98 420 etot -7.9793E+01 mv 0 14 188 0 0 c 188 1.9 0.0 - 4 e 125 417 etot -8.6412E+01 mv 0 14 134 0 0 c 134 1.5 0.0 - 4 e 430 392 etot -6.6817E+01 mv 1 14 109 -141 0 - 4 e 175 404 etot -8.5149E+01 mv 0 14 70 0 0 c 70 1.6 0.0 - 4 e 434 400 etot -8.0473E+01 mv 1 14 188 -139 0 c 188 25.4 0.7 - -1 e 1 15 etot 1.3528E+20 mv 6 15 132 84 0 - -1 e 1 16 etot 1.3528E+20 mv 6 15 132 22 0 - 4 e 367 398 etot -7.8924E+01 mv 1 14 188 -164 0 - 4 e 145 410 etot -7.9914E+01 mv 0 14 72 0 0 - 4 e 320 394 etot -7.9197E+01 mv 1 14 109 -146 0 - 4 e 248 395 etot -6.7088E+01 mv 1 14 109 -76 0 - 4 e 50 414 etot -7.8224E+01 mv 0 14 128 0 0 - 4 e 320 389 etot -8.0177E+01 mv 1 14 110 -106 0 - 4 e 552 386 etot -8.0438E+01 mv 1 14 110 -71 0 - 4 e 366 380 etot -7.3429E+01 mv 1 14 76 -118 0 - 4 e 156 418 etot -7.9261E+01 mv 0 14 110 0 0 - 4 e 302 381 etot -8.2398E+01 mv 1 14 134 -112 0 - -1 e 1 7 etot 1.3528E+20 mv 6 15 68 50 0 - 4 e 125 8 etot -6.6178E+01 mv 6 15 68 145 0 - 4 e 145 6 etot -6.8651E+01 mv 6 15 68 125 0 - 4 e 167 32 etot -8.0613E+01 mv 6 15 119 183 0 - 4 e 181 18 etot -8.5247E+01 mv 6 15 132 35 0 - 4 e 178 24 etot -8.5213E+01 mv 6 15 24 66 0 c 24 3.1 0.0 - 4 e 187 22 etot -7.7948E+01 mv 6 15 24 124 0 c 124 115.2 1.2 - 4 e 213 11 etot -8.5496E+01 mv 6 15 132 89 0 - 4 e 219 19 etot -6.5281E+01 mv 6 15 132 122 0 - 4 e 217 25 etot -8.5213E+01 mv 6 15 24 76 0 - 4 e 219 17 etot -8.1941E+01 mv 6 15 132 48 0 c 48 423.2 6.2 - 4 e 238 9 etot -7.2507E+01 mv 6 15 68 26 0 f 45 564.6 1.0 - 4 e 238 26 etot -8.6033E+01 mv 6 15 24 54 0 c 24 250.2 0.8 - 4 e 63 47 etot -7.5263E+01 mv 6 15 178 111 0 c 111 1.2 0.0 - 4 e 326 10 etot -7.3134E+01 mv 6 15 68 107 0 c 68 136.8 0.3 - 4 e 137 41 etot -7.6664E+01 mv 6 15 178 111 0 - 4 e 243 38 etot 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-10 0 - 4 e 21 401 etot -7.2874E+01 mv 0 15 68 0 0 - 4 e 332 371 etot -7.6491E+01 mv 1 15 78 -198 0 - 4 e 400 373 etot -5.7574E+01 mv 1 15 78 -149 0 - 4 e 486 350 etot -7.2734E+01 mv 1 15 123 -153 0 - 4 e 497 369 etot -6.8129E+01 mv 1 15 46 -156 0 - 4 e 89 402 etot -8.5788E+01 mv 0 15 132 0 0 - 4 e 326 382 etot -7.4246E+01 mv 1 15 92 -58 0 - 4 e 425 372 etot -6.6214E+01 mv 1 15 78 -42 0 - 4 e 103 404 etot -8.1851E+01 mv 0 15 119 0 0 - 4 e 398 377 etot -7.5395E+01 mv 1 15 192 -65 0 - 4 e 104 405 etot -8.1530E+01 mv 0 15 178 0 0 c 178 1.0 0.0 - 4 e 210 395 etot -8.1578E+01 mv 1 15 160 -114 0 c 160 2.8 0.0 - 4 e 282 390 etot -7.7692E+01 mv 1 15 105 -152 0 - 4 e 68 410 etot -8.4327E+01 mv 0 15 123 0 0 - 4 e 109 403 etot -8.5213E+01 mv 0 15 24 0 0 - 4 e 642 361 etot -7.6543E+01 mv 1 15 118 -96 0 - 4 e 115 406 etot -8.0578E+01 mv 0 15 19 0 0 c 19 1.1 0.0 -## N0 total= 24 close= 10 far= 0 %acc 41.7 -## N1 total= 96 close= 9 far= 3 %acc 12.5 -## N2 total= 100 close= 9 far= 5 %acc 14.0 -## N3 total= 0 close= 0 far= 0 %acc 0.0 -## N4 total= 0 close= 0 far= 0 %acc 0.0 -## N5 total= 0 close= 0 far= 0 %acc 0.0 -## N6 total= 200 close= 47 far= 13 %acc 30.0 -## N7 total= 0 close= 0 far= 0 %acc 0.0 -## N8 total= 0 close= 0 far= 0 %acc 0.0 -## N9 total= 0 close= 0 far= 0 %acc 0.0 -##N10 total= 0 close= 0 far= 0 %acc 0.0 -##N11 total= 0 close= 0 far= 0 %acc 0.0 -##N12 total= 0 close= 0 far= 0 %acc 0.0 -##N13 total= 0 close= 0 far= 0 %acc 0.0 -##N14 total= 0 close= 0 far= 0 %acc 0.0 -##N15 total= 0 close= 0 far= 0 %acc 0.0 -##N16 total= 0 close= 0 far= 0 %acc 0.0 -##N17 total= 0 close= 0 far= 0 %acc 0.0 -##N18 total= 0 close= 0 far= 0 %acc 0.0 - Time for refresh 16 0.29 - make_var : nseed= 20 ntry= 420 - Time for make trial 17 0.08 -Nonsetup time 36.45 sec, Eval/s = 61806.85 -Time for iter 17 1.89 sec, Eval/s = 69592.25 - UPDATING 420 - 4 e 454 398 etot -7.0607E+01 mv 1 15 34 -188 0 - 4 e 495 391 etot -8.1576E+01 mv 1 15 160 -104 0 - 4 e 308 394 etot -8.1578E+01 mv 1 15 160 -39 0 - 4 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6 etot -7.7909E+01 mv 6 16 144 134 0 c 144 304.1 2.3 - 4 e 269 17 etot -7.6070E+01 mv 6 16 23 57 0 f 157 489.7 4.1 - 4 e 291 33 etot -8.1250E+01 mv 6 16 119 168 0 - 4 e 319 7 etot -6.9421E+01 mv 6 16 144 75 0 - 4 e 323 4 etot -7.6898E+01 mv 6 16 144 141 0 f 195 480.5 4.9 - 4 e 298 22 etot -8.3647E+01 mv 6 16 124 61 0 - 4 e 333 5 etot -6.9885E+01 mv 6 16 144 2 0 - 4 e 349 31 etot -8.1567E+01 mv 6 16 119 160 0 c 30 304.9 3.7 - 4 e 341 15 etot -7.7459E+01 mv 6 16 23 116 0 - -1 e 1 52 etot 1.3528E+20 mv 6 16 74 173 0 - 4 e 358 11 etot -8.6583E+01 mv 6 16 23 110 0 - 4 e 366 28 etot -7.8496E+01 mv 6 16 124 110 0 - 4 e 361 18 etot -7.5504E+01 mv 6 16 23 49 0 - 4 e 329 25 etot -8.5093E+01 mv 6 16 124 199 0 c 124 220.8 0.9 - 4 e 384 30 etot -7.2570E+01 mv 6 16 124 65 0 - 4 e 385 21 etot -7.2245E+01 mv 6 16 124 102 0 - 4 e 444 23 etot -8.0569E+01 mv 6 16 124 49 0 c 49 277.7 0.5 - 4 e 440 32 etot -7.0195E+01 mv 6 16 119 120 0 - 4 e 271 44 etot -7.8346E+01 mv 6 16 64 168 0 - 4 e 465 3 etot 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16 23 -134 0 - 4 e 500 219 etot -7.9247E+01 mv 2 16 119 -159 0 c 99 386.3 4.0 - 4 e 209 231 etot -8.0505E+01 mv 2 16 29 -111 0 c 29 2.9 0.0 - 4 e 297 233 etot -6.8325E+01 mv 2 16 29 -100 0 - 4 e 353 229 etot -7.3044E+01 mv 2 16 74 -51 0 c 100 4.3 0.0 - 4 e 260 239 etot -4.8081E+01 mv 2 16 49 -178 0 - 4 e 574 216 etot -8.1911E+01 mv 2 16 119 -7 0 - 4 e 574 217 etot -7.7089E+01 mv 2 16 119 -169 0 - 4 e 590 218 etot -8.0714E+01 mv 2 16 119 -178 0 - 4 e 129 250 etot -8.3746E+01 mv 2 16 128 -106 0 - 4 e 400 224 etot -6.8659E+01 mv 2 16 64 -168 0 - 4 e 378 241 etot -7.4461E+01 mv 2 16 152 -62 0 - 4 e 328 248 etot -8.0032E+01 mv 2 16 128 -91 0 f 20 542.5 7.6 - 4 e 242 253 etot -7.5646E+01 mv 2 16 24 -59 0 - 4 e 457 236 etot -7.6817E+01 mv 2 16 49 -80 0 - 4 e 234 258 etot -5.6157E+01 mv 2 16 123 -81 0 - 4 e 167 267 etot -7.1082E+01 mv 2 16 57 -62 0 - 4 e 312 251 etot -8.6033E+01 mv 2 16 24 -27 0 - 4 e 299 252 etot -5.7603E+01 mv 2 16 24 -145 0 - 4 e 501 237 etot -7.4754E+01 mv 2 16 49 -125 0 - 4 e 558 234 etot -7.4926E+01 mv 2 16 29 -192 0 - 8 e 98 272 etot -6.3996E+01 mv 2 16 143 -142 0 - 4 e 338 243 etot -6.3313E+01 mv 2 16 152 -30 0 - 4 e 525 238 etot -6.9686E+01 mv 2 16 49 -26 0 - -1 e 1 284 etot 1.3528E+20 mv 2 16 43 -113 0 - -1 e 1 283 etot 1.3528E+20 mv 2 16 43 -135 0 - -1 e 1 286 etot 1.3528E+20 mv 2 16 34 -23 0 - 4 e 454 249 etot -7.0924E+01 mv 2 16 128 -48 0 - -1 e 1 288 etot 1.3528E+20 mv 2 16 34 -76 0 - 4 e 469 247 etot -7.2010E+01 mv 2 16 128 -1 0 - 4 e 329 260 etot -8.4340E+01 mv 2 16 123 -190 0 - 4 e 456 232 etot -7.3723E+01 mv 2 16 29 -28 0 - 4 e 522 244 etot -7.9339E+01 mv 2 16 152 -134 0 c 44 291.4 1.9 - 4 e 318 266 etot -8.1575E+01 mv 2 16 57 -163 0 c 57 5.2 0.0 - 4 e 360 264 etot -7.4382E+01 mv 2 16 1 -144 0 f 35 523.3 1.9 - 4 e 188 273 etot -7.8802E+01 mv 2 16 143 -43 0 - 4 e 188 270 etot -8.1576E+01 mv 2 16 57 -77 0 c 57 2.2 0.0 - 4 e 438 254 etot -8.3712E+01 mv 2 16 24 -1 0 - 4 e 366 268 etot -7.4832E+01 mv 2 16 57 -49 0 f 193 496.2 2.3 - 4 e 311 263 etot -8.2465E+01 mv 2 16 1 -119 0 - 4 e 320 261 etot -8.1837E+01 mv 2 16 1 -28 0 - 4 e 380 269 etot -5.3070E+01 mv 2 16 57 -85 0 - 4 e 123 296 etot -7.8205E+01 mv 2 16 166 -99 0 c 166 3.7 0.0 - 4 e 297 277 etot -6.8423E+01 mv 2 16 72 -89 0 - 4 e 515 259 etot -7.6809E+01 mv 2 16 123 -95 0 - 4 e 234 285 etot -6.0454E+01 mv 2 16 43 -139 0 - 4 e 240 290 etot -7.8805E+01 mv 2 16 34 -157 0 - 4 e 504 245 etot -8.0359E+01 mv 2 16 152 -76 0 c 44 72.4 1.0 - -1 e 1 308 etot 1.3528E+20 mv 1 16 23 -51 0 - 4 e 247 291 etot -6.8868E+01 mv 2 16 78 -184 0 - 8 e 124 297 etot -6.3988E+01 mv 2 16 166 -149 0 - 4 e 419 274 etot -7.3102E+01 mv 2 16 143 -45 0 - 4 e 590 265 etot -8.0111E+01 mv 2 16 1 -130 0 c 35 273.9 5.7 - 4 e 418 275 etot -7.6857E+01 mv 2 16 143 -76 0 - -1 e 1 314 etot 1.3528E+20 mv 1 16 124 -98 0 - 4 e 406 279 etot -7.3789E+01 mv 2 16 72 -164 0 f 183 540.3 1.2 - 4 e 193 299 etot -7.8205E+01 mv 2 16 166 -35 0 - 4 e 300 293 etot -7.7624E+01 mv 2 16 78 -31 0 - 4 e 399 281 etot -6.9390E+01 mv 2 16 43 -178 0 - -1 e 1 319 etot 1.3528E+20 mv 1 16 119 -195 0 - 4 e 368 271 etot -7.8868E+01 mv 2 16 143 -54 0 - 4 e 404 282 etot -6.8530E+01 mv 2 16 43 -27 0 - 4 e 508 256 etot -7.8534E+01 mv 2 16 123 -197 0 - 4 e 457 280 etot -7.4060E+01 mv 2 16 72 -46 0 - 4 e 411 289 etot -6.9473E+01 mv 2 16 34 -135 0 - 4 e 224 305 etot -6.0124E+01 mv 1 16 144 -59 0 - 4 e 531 276 etot -7.7488E+01 mv 2 16 72 -188 0 f 185 546.0 4.9 - 4 e 193 300 etot -7.7535E+01 mv 2 16 166 -19 0 - 4 e 784 262 etot -6.6116E+01 mv 2 16 1 -129 0 - 4 e 205 301 etot -7.5583E+01 mv 1 16 144 -21 0 - 4 e 181 315 etot -8.4156E+01 mv 1 16 124 -127 0 - 4 e 631 278 etot -6.5167E+01 mv 2 16 72 -109 0 - -1 e 1 332 etot 1.3528E+20 mv 1 16 29 -36 0 - 4 e 434 298 etot -7.9074E+01 mv 2 16 166 -36 0 - 4 e 488 294 etot -7.9036E+01 mv 2 16 78 -191 0 - 4 e 487 295 etot -7.8942E+01 mv 2 16 78 -57 0 - 4 e 185 320 etot -8.1943E+01 mv 1 16 119 -97 0 c 119 1.5 0.0 - 4 e 353 304 etot -6.9471E+01 mv 1 16 144 -169 0 - 4 e 273 313 etot -7.2176E+01 mv 1 16 124 -25 0 - 4 e 407 287 etot -8.1041E+01 mv 2 16 34 -143 0 c 34 261.2 1.9 - 4 e 389 306 etot -8.6618E+01 mv 1 16 23 -125 0 - 4 e 450 302 etot -6.3885E+01 mv 1 16 144 -93 0 - 4 e 369 312 etot -7.5754E+01 mv 1 16 124 -181 0 - 4 e 432 307 etot -7.4791E+01 mv 1 16 23 -200 0 - 4 e 361 317 etot -6.2768E+01 mv 1 16 119 -199 0 - 4 e 298 325 etot -7.0579E+01 mv 1 16 64 -78 0 - 4 e 209 331 etot -8.0505E+01 mv 1 16 29 -15 0 - 4 e 460 310 etot -8.6618E+01 mv 1 16 23 -10 0 - -1 e 1 348 etot 1.3528E+20 mv 1 16 128 -108 0 - 4 e 185 330 etot -8.0781E+01 mv 1 16 74 -100 0 - 4 e 409 316 etot -7.8035E+01 mv 1 16 119 -159 0 - 4 e 424 318 etot -7.5378E+01 mv 1 16 119 -16 0 - 4 e 577 303 etot -6.2742E+01 mv 1 16 144 -30 0 - 4 e 356 326 etot -8.0780E+01 mv 1 16 74 -107 0 - -1 e 1 354 etot 1.3528E+20 mv 1 16 24 -138 0 - -1 e 1 355 etot 1.3528E+20 mv 1 16 24 -152 0 - 4 e 514 292 etot -6.4968E+01 mv 2 16 78 -30 0 - 4 e 234 338 etot -7.3293E+01 mv 1 16 49 -30 0 - 4 e 174 341 etot -8.3734E+01 mv 1 16 152 -12 0 - 4 e 287 336 etot -6.8942E+01 mv 1 16 49 -166 0 - 4 e 311 334 etot -7.9279E+01 mv 1 16 29 -180 0 - 4 e 427 327 etot -7.5524E+01 mv 1 16 74 -105 0 - 4 e 151 346 etot -8.2579E+01 mv 1 16 128 -193 0 - 4 e 450 329 etot -7.7568E+01 mv 1 16 74 -4 0 - -1 e 1 364 etot 1.3528E+20 mv 1 16 1 -36 0 - 4 e 369 339 etot -6.7717E+01 mv 1 16 49 -54 0 - 4 e 370 323 etot -8.2810E+01 mv 1 16 64 -137 0 - 4 e 211 349 etot -7.9241E+01 mv 1 16 128 -107 0 - 4 e 525 324 etot -8.2810E+01 mv 1 16 64 -156 0 - 4 e 426 335 etot -8.1795E+01 mv 1 16 29 -138 0 c 29 93.8 1.3 - 4 e 243 351 etot -8.6262E+01 mv 1 16 24 -189 0 c 24 133.1 0.2 - 4 e 370 342 etot -8.2269E+01 mv 1 16 152 -102 0 - 4 e 292 345 etot -8.3392E+01 mv 1 16 152 -40 0 - 4 e 322 343 etot -7.9718E+01 mv 1 16 152 -74 0 - -1 e 1 373 etot 1.3528E+20 mv 1 16 143 -36 0 - -1 e 1 375 etot 1.3528E+20 mv 1 16 143 -159 0 - 4 e 440 321 etot -7.7563E+01 mv 1 16 64 -141 0 - 4 e 520 333 etot -6.4154E+01 mv 1 16 29 -133 0 - 4 e 216 350 etot -8.3746E+01 mv 1 16 128 -173 0 - 4 e 285 356 etot -8.2121E+01 mv 1 16 123 -80 0 - 4 e 384 344 etot -8.3733E+01 mv 1 16 152 -138 0 - 4 e 335 352 etot -7.8302E+01 mv 1 16 24 -168 0 - 4 e 352 340 etot -8.0060E+01 mv 1 16 49 -18 0 - 4 e 588 309 etot -7.8969E+01 mv 1 16 23 -188 0 - 4 e 588 337 etot -8.1455E+01 mv 1 16 49 -92 0 c 49 388.8 0.9 - 4 e 346 359 etot -6.9761E+01 mv 1 16 123 -129 0 - 4 e 210 366 etot -8.1576E+01 mv 1 16 57 -165 0 - 4 e 328 361 etot -6.8042E+01 mv 1 16 1 -181 0 - 4 e 228 369 etot -8.1576E+01 mv 1 16 57 -64 0 - 4 e 410 353 etot -8.5662E+01 mv 1 16 24 -144 0 - 4 e 467 347 etot -7.6341E+01 mv 1 16 128 -107 0 - 4 e 191 371 etot -7.8874E+01 mv 1 16 143 -53 0 - 4 e 646 311 etot -8.4154E+01 mv 1 16 124 -195 0 - -1 e 1 393 etot 1.3528E+20 mv 1 16 78 -6 0 - 4 e 386 363 etot -8.3120E+01 mv 1 16 1 -4 0 c 35 260.0 3.0 - 4 e 876 322 etot -8.1460E+01 mv 1 16 64 -25 0 - -1 e 1 396 etot 1.3528E+20 mv 1 16 166 -103 0 - 4 e 567 328 etot -6.8394E+01 mv 1 16 74 -29 0 - 4 e 391 365 etot -8.3359E+01 mv 1 16 1 -192 0 c 35 94.3 0.2 - 4 e 515 358 etot -7.4430E+01 mv 1 16 123 -191 0 f 200 624.7 1.8 - 4 e 380 357 etot -7.0409E+01 mv 1 16 123 -57 0 - 4 e 323 374 etot -6.7397E+01 mv 1 16 143 -147 0 - 4 e 517 360 etot -8.4340E+01 mv 1 16 123 -108 0 - 4 e 418 368 etot -6.9444E+01 mv 1 16 57 -78 0 - 4 e 522 362 etot -6.0768E+01 mv 1 16 1 -199 0 - 4 e 68 402 etot -8.6619E+01 mv 0 16 23 0 0 c 23 0.7 0.0 - 4 e 261 385 etot -7.6673E+01 mv 1 16 43 -30 0 - 4 e 74 401 etot -7.5583E+01 mv 0 16 144 0 0 - 4 e 243 389 etot -6.0990E+01 mv 1 16 34 -176 0 - 4 e 294 387 etot -6.4277E+01 mv 1 16 34 -118 0 - 4 e 256 379 etot -7.9785E+01 mv 1 16 72 -129 0 - 4 e 59 406 etot -8.0781E+01 mv 0 16 74 0 0 - 4 e 428 376 etot -8.0038E+01 mv 1 16 72 -100 0 - 4 e 366 381 etot -5.9483E+01 mv 1 16 43 -167 0 - 4 e 99 404 etot -8.1943E+01 mv 0 16 119 0 0 c 119 0.6 0.0 - 4 e 504 370 etot -8.2950E+01 mv 1 16 57 -55 0 c 57 210.7 1.4 - 4 e 304 390 etot -6.1815E+01 mv 1 16 34 -101 0 - 4 e 61 409 etot -8.3734E+01 mv 0 16 152 0 0 - 4 e 146 403 etot -8.4156E+01 mv 0 16 124 0 0 - 4 e 455 380 etot -8.0039E+01 mv 1 16 72 -197 0 -## N0 total= 19 close= 7 far= 0 %acc 36.8 -## N1 total= 101 close= 8 far= 1 %acc 8.9 -## N2 total= 100 close= 10 far= 5 %acc 15.0 -## N3 total= 0 close= 0 far= 0 %acc 0.0 -## N4 total= 0 close= 0 far= 0 %acc 0.0 -## N5 total= 0 close= 0 far= 0 %acc 0.0 -## N6 total= 200 close= 32 far= 15 %acc 23.5 -## N7 total= 0 close= 0 far= 0 %acc 0.0 -## N8 total= 0 close= 0 far= 0 %acc 0.0 -## N9 total= 0 close= 0 far= 0 %acc 0.0 -##N10 total= 0 close= 0 far= 0 %acc 0.0 -##N11 total= 0 close= 0 far= 0 %acc 0.0 -##N12 total= 0 close= 0 far= 0 %acc 0.0 -##N13 total= 0 close= 0 far= 0 %acc 0.0 -##N14 total= 0 close= 0 far= 0 %acc 0.0 -##N15 total= 0 close= 0 far= 0 %acc 0.0 -##N16 total= 0 close= 0 far= 0 %acc 0.0 -##N17 total= 0 close= 0 far= 0 %acc 0.0 -##N18 total= 0 close= 0 far= 0 %acc 0.0 - Time for refresh 17 0.40 - make_var : nseed= 20 ntry= 420 - Time for make trial 18 0.04 -Nonsetup time 38.41 sec, Eval/s = 62064.11 -Time for iter 18 1.96 sec, Eval/s = 66855.86 - UPDATING 420 - 4 e 511 386 etot -7.9630E+01 mv 1 16 34 -22 0 - 4 e 435 397 etot -6.8757E+01 mv 1 16 166 -146 0 - 4 e 187 405 etot -8.2810E+01 mv 0 16 64 0 0 - 4 e 114 414 etot -8.1576E+01 mv 0 16 57 0 0 - 4 e 523 378 etot -7.4822E+01 mv 1 16 72 -23 0 - 4 e 423 391 etot -7.9037E+01 mv 1 16 78 -61 0 - 4 e 124 412 etot -8.4341E+01 mv 0 16 123 0 0 - 4 e 114 420 etot -7.8205E+01 mv 0 16 166 0 0 - 4 e 427 388 etot -7.9105E+01 mv 1 16 34 -126 0 - 4 e 218 419 etot -7.9037E+01 mv 0 16 78 0 0 c 78 1.3 0.0 - 4 e 382 399 etot -7.9856E+01 mv 1 16 166 -56 0 c 166 213.1 1.7 - 4 e 108 416 etot -8.0040E+01 mv 0 16 72 0 0 c 72 1.9 0.0 - 4 e 149 407 etot -8.0505E+01 mv 0 16 29 0 0 - 4 e 95 410 etot -8.3746E+01 mv 0 16 128 0 0 - 4 e 585 372 etot -6.9509E+01 mv 1 16 143 -5 0 - 4 e 303 400 etot -7.8204E+01 mv 1 16 166 -5 0 - 4 e 316 395 etot -7.9037E+01 mv 1 16 78 -113 0 - 4 e 132 415 etot -8.0125E+01 mv 0 16 143 0 0 - 4 e 130 417 etot -7.9571E+01 mv 0 16 43 0 0 - 4 e 150 413 etot -8.3360E+01 mv 0 16 1 0 0 c 35 2.0 0.0 - 4 e 530 382 etot -6.6325E+01 mv 1 16 43 -197 0 - 4 e 337 392 etot -6.1486E+01 mv 1 16 78 -199 0 - 4 e 187 418 etot -7.9106E+01 mv 0 16 34 0 0 - 4 e 764 377 etot -8.1972E+01 mv 1 16 72 -58 0 - 4 e 487 398 etot -8.1783E+01 mv 1 16 166 -67 0 c 166 327.7 1.9 - 4 e 325 383 etot -7.5596E+01 mv 1 16 43 -52 0 - 4 e 87 411 etot -8.6033E+01 mv 0 16 24 0 0 - 4 e 492 367 etot -7.9475E+01 mv 1 16 57 -151 0 - 4 e 158 408 etot -8.0061E+01 mv 0 16 49 0 0 - 4 e 245 394 etot -6.2809E+01 mv 1 16 78 -84 0 - 4 e 331 384 etot -7.9571E+01 mv 1 16 43 -148 0 - -1 e 1 26 etot 1.3528E+20 mv 6 17 115 181 0 - -1 e 1 23 etot 1.3528E+20 mv 6 17 115 164 0 - -1 e 1 33 etot 1.3528E+20 mv 6 17 128 18 0 - 4 e 103 9 etot -8.0820E+01 mv 6 17 61 74 0 c 74 0.3 0.0 - 4 e 171 30 etot -8.0809E+01 mv 6 17 115 82 0 - 4 e 207 7 etot -7.2561E+01 mv 6 17 61 79 0 - 4 e 197 2 etot -7.9197E+01 mv 6 17 61 179 0 c 61 2.0 0.0 - 4 e 207 31 etot -8.4564E+01 mv 6 17 128 176 0 - 4 e 205 16 etot -8.3079E+01 mv 6 17 8 21 0 - 4 e 205 20 etot -8.3264E+01 mv 6 17 8 10 0 c 8 4.4 0.0 - 4 e 223 10 etot -7.5812E+01 mv 6 17 61 66 0 - -1 e 1 42 etot 1.3528E+20 mv 6 17 22 45 0 - 4 e 224 14 etot -8.2965E+01 mv 6 17 8 160 0 - 4 e 222 12 etot -8.3263E+01 mv 6 17 8 171 0 - 4 e 233 17 etot -6.6641E+01 mv 6 17 8 62 0 - 4 e 236 15 etot -8.0716E+01 mv 6 17 8 94 0 f 94 469.2 8.1 - 4 e 223 3 etot -7.9197E+01 mv 6 17 61 95 0 - 4 e 285 29 etot -8.1409E+01 mv 6 17 115 99 0 - 4 e 300 18 etot -7.9092E+01 mv 6 17 8 53 0 - 4 e 312 28 etot -8.3350E+01 mv 6 17 115 50 0 c 27 149.7 3.1 - 4 e 410 5 etot -8.0597E+01 mv 6 17 61 157 0 - 4 e 313 11 etot -8.3147E+01 mv 6 17 8 188 0 - 4 e 420 4 etot -7.3767E+01 mv 6 17 61 160 0 - 4 e 114 44 etot -8.3360E+01 mv 6 17 22 35 0 c 35 0.8 0.0 - 4 e 326 24 etot -7.0716E+01 mv 6 17 115 41 0 - 4 e 341 21 etot -7.6159E+01 mv 6 17 115 125 0 c 125 34.4 0.5 - 4 e 256 37 etot -7.4669E+01 mv 6 17 128 71 0 - 4 e 154 39 etot -8.3746E+01 mv 6 17 128 171 0 - 4 e 538 6 etot -8.3695E+01 mv 6 17 61 95 0 - 4 e 409 13 etot -8.6242E+01 mv 6 17 8 162 0 c 8 339.6 3.0 - 4 e 202 45 etot -7.6490E+01 mv 6 17 22 79 0 - -1 e 1 62 etot 1.3528E+20 mv 6 17 145 159 0 - 4 e 338 35 etot -7.2089E+01 mv 6 17 128 107 0 - -1 e 1 63 etot 1.3528E+20 mv 6 17 145 107 0 - 4 e 443 8 etot -8.0168E+01 mv 6 17 61 38 0 f 5 495.9 7.5 - 4 e 155 51 etot -7.5889E+01 mv 6 17 57 121 0 - -1 e 1 67 etot 1.3528E+20 mv 6 17 145 158 0 - 4 e 481 1 etot -8.7958E+01 mv 6 17 61 70 0 f 139 475.3 15.2 - 4 e 302 36 etot -7.9473E+01 mv 6 17 128 197 0 - 4 e 445 27 etot -8.2400E+01 mv 6 17 115 71 0 f 60 584.6 9.7 - 4 e 472 32 etot -7.8585E+01 mv 6 17 128 17 0 - 4 e 283 46 etot -8.4866E+01 mv 6 17 22 175 0 c 22 4.0 0.0 - -1 e 1 73 etot 1.3528E+20 mv 6 17 43 132 0 - 4 e 289 54 etot -8.1319E+01 mv 6 17 57 75 0 - 4 e 513 34 etot -8.5088E+01 mv 6 17 128 33 0 - 4 e 323 47 etot -7.3389E+01 mv 6 17 22 39 0 f 59 477.0 0.6 - 4 e 377 38 etot -7.6650E+01 mv 6 17 128 65 0 - 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1.0 0.0 - 4 e 221 394 etot -7.7212E+01 mv 1 17 46 -10 0 - 4 e 57 404 etot -8.6119E+01 mv 0 17 128 0 0 c 128 0.7 0.0 - 4 e 299 385 etot -7.1712E+01 mv 1 17 58 -101 0 - 4 e 690 333 etot -7.4309E+01 mv 1 17 145 -44 0 - 4 e 399 380 etot -8.0030E+01 mv 1 17 188 -153 0 - 4 e 422 363 etot -8.1783E+01 mv 1 17 3 -121 0 - 8 e 367 382 etot -6.3985E+01 mv 1 17 58 -167 0 - 4 e 276 381 etot -8.0421E+01 mv 1 17 58 -130 0 - 4 e 241 395 etot -7.8025E+01 mv 1 17 46 -14 0 -## N0 total= 17 close= 5 far= 0 %acc 29.4 -## N1 total= 103 close= 9 far= 0 %acc 8.7 -## N2 total= 100 close= 8 far= 5 %acc 13.0 -## N3 total= 0 close= 0 far= 0 %acc 0.0 -## N4 total= 0 close= 0 far= 0 %acc 0.0 -## N5 total= 0 close= 0 far= 0 %acc 0.0 -## N6 total= 200 close= 45 far= 19 %acc 32.0 -## N7 total= 0 close= 0 far= 0 %acc 0.0 -## N8 total= 0 close= 0 far= 0 %acc 0.0 -## N9 total= 0 close= 0 far= 0 %acc 0.0 -##N10 total= 0 close= 0 far= 0 %acc 0.0 -##N11 total= 0 close= 0 far= 0 %acc 0.0 -##N12 total= 0 close= 0 far= 0 %acc 0.0 -##N13 total= 0 close= 0 far= 0 %acc 0.0 -##N14 total= 0 close= 0 far= 0 %acc 0.0 -##N15 total= 0 close= 0 far= 0 %acc 0.0 -##N16 total= 0 close= 0 far= 0 %acc 0.0 -##N17 total= 0 close= 0 far= 0 %acc 0.0 -##N18 total= 0 close= 0 far= 0 %acc 0.0 - Time for refresh 18 0.27 - make_var : nseed= 20 ntry= 420 - Time for make trial 19 0.06 -Nonsetup time 40.15 sec, Eval/s = 62419.54 -Time for iter 19 1.74 sec, Eval/s = 70255.93 - UPDATING 420 - 4 e 123 420 etot -8.3445E+01 mv 0 17 182 0 0 c 182 1.6 0.0 - 4 e 462 384 etot -7.8695E+01 mv 1 17 58 -146 0 - 4 e 134 416 etot -8.0475E+01 mv 0 17 188 0 0 - 4 e 106 410 etot -8.2075E+01 mv 0 17 101 0 0 c 83 344.0 3.4 - 4 e 655 374 etot -7.7703E+01 mv 1 17 133 -161 0 - 4 e 604 392 etot -7.0638E+01 mv 1 17 46 -152 0 - 4 e 310 397 etot -7.1742E+01 mv 1 17 182 -188 0 - 4 e 560 376 etot -7.9638E+01 mv 1 17 188 -131 0 - 4 e 294 390 etot -7.8400E+01 mv 1 17 54 -196 0 - 4 e 130 412 etot -8.1797E+01 mv 0 17 29 0 0 - -1 e 1 2 etot 1.3528E+20 mv 6 18 107 85 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135 402 etot -8.3264E+01 mv 0 17 8 0 0 c 55 3.9 0.0 - 4 e 152 415 etot -8.0648E+01 mv 0 17 133 0 0 c 133 1.1 0.0 - 4 e 154 413 etot -8.1533E+01 mv 0 17 3 0 0 - 4 e 132 408 etot -8.1914E+01 mv 0 17 43 0 0 - 4 e 95 24 etot -8.0040E+01 mv 6 18 8 72 0 c 72 0.6 0.0 - 8 e 138 17 etot -6.3985E+01 mv 6 18 139 51 0 - 4 e 166 28 etot -8.6244E+01 mv 6 18 8 57 0 c 8 2.8 0.0 - -1 e 1 38 etot 1.3528E+20 mv 6 18 178 154 0 - 4 e 215 22 etot -7.5803E+01 mv 6 18 8 82 0 - 4 e 211 16 etot -8.7739E+01 mv 6 18 139 13 0 - -1 e 1 41 etot 1.3528E+20 mv 6 18 27 165 0 - 4 e 233 30 etot -7.7912E+01 mv 6 18 8 61 0 - 4 e 241 7 etot -7.4392E+01 mv 6 18 107 114 0 - 4 e 155 36 etot -6.3205E+01 mv 6 18 178 63 0 - -1 e 1 45 etot 1.3528E+20 mv 6 18 27 16 0 - 4 e 229 18 etot -7.9245E+01 mv 6 18 139 61 0 c 61 7.4 0.0 - 4 e 267 8 etot -7.3754E+01 mv 6 18 107 135 0 - 4 e 277 11 etot -7.6328E+01 mv 6 18 139 25 0 f 165 515.3 2.9 - 4 e 302 32 etot -8.2410E+01 mv 6 18 178 38 0 - 4 e 381 5 etot -8.1439E+01 mv 6 18 107 117 0 c 180 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etot -6.8674E+01 mv 6 18 96 43 0 - 4 e 340 142 etot -7.8367E+01 mv 6 18 96 52 0 c 52 41.8 0.1 - 4 e 499 126 etot -6.8735E+01 mv 6 18 30 87 0 - 4 e 466 109 etot -8.2074E+01 mv 6 18 141 41 0 - 4 e 386 140 etot -6.8720E+01 mv 6 18 34 129 0 - 4 e 408 117 etot -7.5639E+01 mv 6 18 162 113 0 f 73 557.2 1.5 - 4 e 501 128 etot -7.6430E+01 mv 6 18 30 189 0 - 4 e 410 118 etot -8.2861E+01 mv 6 18 162 113 0 - 4 e 442 115 etot -7.0843E+01 mv 6 18 162 142 0 - 4 e 661 111 etot -7.9061E+01 mv 6 18 162 153 0 c 154 329.9 1.0 - 4 e 108 164 etot -7.5740E+01 mv 6 18 66 167 0 c 167 2.1 0.0 - 4 e 345 144 etot -7.9272E+01 mv 6 18 96 130 0 - 4 e 257 154 etot -8.0990E+01 mv 6 18 124 123 0 - 4 e 383 143 etot -8.0938E+01 mv 6 18 96 83 0 - 4 e 542 133 etot -7.8629E+01 mv 6 18 34 88 0 f 137 481.5 4.5 - 4 e 268 159 etot -7.9074E+01 mv 6 18 124 87 0 c 87 142.5 0.1 - 4 e 209 161 etot -7.3746E+01 mv 6 18 66 31 0 - 4 e 259 160 etot -8.7809E+01 mv 6 18 124 192 0 c 124 230.3 2.7 - 4 e 235 163 etot -7.3819E+01 mv 6 18 66 1 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-121 0 c 96 69.6 0.6 - 4 e 376 373 etot -7.7663E+01 mv 1 18 96 -46 0 - 4 e 288 371 etot -6.9774E+01 mv 1 18 96 -182 0 - 4 e 121 395 etot -8.0033E+01 mv 1 18 20 -136 0 c 20 3.8 0.0 - 4 e 69 401 etot -7.5822E+01 mv 0 18 107 0 0 - 4 e 456 369 etot -8.0962E+01 mv 1 18 34 -177 0 - 4 e 352 380 etot -8.7808E+01 mv 1 18 124 -197 0 - 4 e 527 367 etot -7.4033E+01 mv 1 18 34 -119 0 - 4 e 124 391 etot -8.0032E+01 mv 1 18 20 -189 0 - 4 e 327 384 etot -6.8549E+01 mv 1 18 66 -169 0 - 4 e 580 364 etot -7.4259E+01 mv 1 18 30 -83 0 - 4 e 124 402 etot -8.7960E+01 mv 0 18 139 0 0 - 4 e 222 390 etot -7.9959E+01 mv 1 18 143 -78 0 - 4 e 104 403 etot -8.6244E+01 mv 0 18 8 0 0 - 4 e 77 405 etot -8.3350E+01 mv 0 18 27 0 0 - 4 e 118 404 etot -8.4291E+01 mv 0 18 178 0 0 c 178 1.3 0.0 -## N0 total= 22 close= 9 far= 0 %acc 40.9 -## N1 total= 98 close= 8 far= 0 %acc 8.2 -## N2 total= 100 close= 5 far= 1 %acc 6.0 -## N3 total= 0 close= 0 far= 0 %acc 0.0 -## N4 total= 0 close= 0 far= 0 %acc 0.0 -## N5 total= 0 close= 0 far= 0 %acc 0.0 -## N6 total= 200 close= 40 far= 20 %acc 30.0 -## N7 total= 0 close= 0 far= 0 %acc 0.0 -## N8 total= 0 close= 0 far= 0 %acc 0.0 -## N9 total= 0 close= 0 far= 0 %acc 0.0 -##N10 total= 0 close= 0 far= 0 %acc 0.0 -##N11 total= 0 close= 0 far= 0 %acc 0.0 -##N12 total= 0 close= 0 far= 0 %acc 0.0 -##N13 total= 0 close= 0 far= 0 %acc 0.0 -##N14 total= 0 close= 0 far= 0 %acc 0.0 -##N15 total= 0 close= 0 far= 0 %acc 0.0 -##N16 total= 0 close= 0 far= 0 %acc 0.0 -##N17 total= 0 close= 0 far= 0 %acc 0.0 -##N18 total= 0 close= 0 far= 0 %acc 0.0 - Time for refresh 19 0.73 - make_var : nseed= 20 ntry= 420 - Time for make trial 20 0.32 -Nonsetup time 43.11 sec, Eval/s = 61075.82 -Time for iter 20 2.96 sec, Eval/s = 42853.99 - UPDATING 420 - 4 e 597 372 etot -7.2950E+01 mv 1 18 96 -76 0 - 4 e 377 399 etot -6.7427E+01 mv 1 18 54 -120 0 - 4 e 102 420 etot -7.9804E+01 mv 0 18 54 0 0 c 54 1.1 0.0 - 4 e 396 389 etot -7.8238E+01 mv 1 18 143 -152 0 - 4 e 531 387 etot -7.9234E+01 mv 1 18 143 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-8.4682E+01 mv 0 19 152 0 0 - 4 e 723 353 etot -6.7777E+01 mv 1 19 166 -93 0 - 4 e 380 397 etot -5.4547E+01 mv 1 19 120 -58 0 -## N0 total= 19 close= 8 far= 0 %acc 42.1 -## N1 total= 101 close= 10 far= 2 %acc 11.9 -## N2 total= 100 close= 7 far= 4 %acc 11.0 -## N3 total= 0 close= 0 far= 0 %acc 0.0 -## N4 total= 0 close= 0 far= 0 %acc 0.0 -## N5 total= 0 close= 0 far= 0 %acc 0.0 -## N6 total= 200 close= 40 far= 18 %acc 29.0 -## N7 total= 0 close= 0 far= 0 %acc 0.0 -## N8 total= 0 close= 0 far= 0 %acc 0.0 -## N9 total= 0 close= 0 far= 0 %acc 0.0 -##N10 total= 0 close= 0 far= 0 %acc 0.0 -##N11 total= 0 close= 0 far= 0 %acc 0.0 -##N12 total= 0 close= 0 far= 0 %acc 0.0 -##N13 total= 0 close= 0 far= 0 %acc 0.0 -##N14 total= 0 close= 0 far= 0 %acc 0.0 -##N15 total= 0 close= 0 far= 0 %acc 0.0 -##N16 total= 0 close= 0 far= 0 %acc 0.0 -##N17 total= 0 close= 0 far= 0 %acc 0.0 -##N18 total= 0 close= 0 far= 0 %acc 0.0 - Time for refresh 20 0.51 - make_var : nseed= 20 ntry= 420 - Time for make trial 21 0.04 -Nonsetup time 45.14 sec, Eval/s = 61094.97 -Time for iter 21 2.03 sec, Eval/s = 61502.15 - UPDATING 420 - 4 e 94 410 etot -8.1967E+01 mv 0 19 141 0 0 - 4 e 308 411 etot -8.1834E+01 mv 0 19 166 0 0 - 4 e 96 412 etot -8.4070E+01 mv 0 19 188 0 0 - 4 e 126 413 etot -8.2403E+01 mv 0 19 60 0 0 - 4 e 151 414 etot -8.1345E+01 mv 0 19 63 0 0 c 63 0.9 0.0 - 4 e 120 415 etot -8.1369E+01 mv 0 19 36 0 0 - 4 e 89 416 etot -8.1157E+01 mv 0 19 127 0 0 c 169 1.8 0.0 - 4 e 59 417 etot -8.0716E+01 mv 0 19 94 0 0 c 94 0.6 0.0 - 4 e 124 418 etot -8.1440E+01 mv 0 19 180 0 0 - 4 e 173 419 etot -7.9697E+01 mv 0 19 6 0 0 - 4 e 116 420 etot -7.9685E+01 mv 0 19 120 0 0 - 4 e 459 389 etot -6.8926E+01 mv 1 19 180 -31 0 - 4 e 444 383 etot -6.6570E+01 mv 1 19 94 -29 0 - 4 e 467 386 etot -7.5982E+01 mv 1 19 180 -77 0 - -1 e 1 7 etot 1.3528E+20 mv 6 20 73 108 0 - 4 e 107 407 etot -8.2310E+01 mv 0 19 43 0 0 c 43 1.0 0.0 - 4 e 149 403 etot -8.5289E+01 mv 0 19 70 0 0 - 4 e 340 387 etot -7.9211E+01 mv 1 19 180 -90 0 - 4 e 238 399 etot -7.4701E+01 mv 1 19 120 -171 0 - 4 e 617 394 etot -7.7889E+01 mv 1 19 6 -150 0 f 80 437.0 2.8 - 4 e 25 408 etot -8.3264E+01 mv 0 19 55 0 0 - 4 e 494 382 etot -7.9949E+01 mv 1 19 94 -14 0 - 4 e 411 395 etot -7.9523E+01 mv 1 19 6 -116 0 - 4 e 334 398 etot -7.3427E+01 mv 1 19 120 -40 0 - 4 e 305 379 etot -6.3241E+01 mv 1 19 127 -171 0 - 4 e 295 385 etot -8.0716E+01 mv 1 19 94 -178 0 - 4 e 421 390 etot -7.7401E+01 mv 1 19 180 -130 0 - 4 e 489 366 etot -7.6009E+01 mv 1 19 63 -120 0 - -1 e 1 21 etot 1.3528E+20 mv 6 20 97 148 0 - 4 e 142 405 etot -8.3691E+01 mv 0 19 84 0 0 - 4 e 136 404 etot -8.5406E+01 mv 0 19 1 0 0 - 4 e 516 355 etot -7.7441E+01 mv 1 19 166 -148 0 - 4 e 403 400 etot -7.3425E+01 mv 1 19 120 -57 0 - -1 e 1 28 etot 1.3528E+20 mv 6 20 97 72 0 - -1 e 1 11 etot 1.3528E+20 mv 6 20 139 2 0 - 4 e 174 4 etot -7.0357E+01 mv 6 20 73 96 0 - 4 e 212 6 etot -7.1875E+01 mv 6 20 73 93 0 - -1 e 1 37 etot 1.3528E+20 mv 6 20 161 56 0 - 4 e 212 30 etot -8.2589E+01 mv 6 20 97 127 0 c 127 114.5 0.3 - 4 e 233 5 etot -7.3306E+01 mv 6 20 73 46 0 - 8 e 48 38 etot -6.3989E+01 mv 6 20 161 177 0 - -1 e 1 41 etot 1.3528E+20 mv 6 20 36 134 0 - 4 e 251 13 etot -8.7960E+01 mv 6 20 139 16 0 - 4 e 249 16 etot -8.6917E+01 mv 6 20 139 86 0 - 4 e 268 24 etot -7.1259E+01 mv 6 20 97 162 0 - 4 e 334 15 etot -7.5180E+01 mv 6 20 139 54 0 - 4 e 318 33 etot -8.5553E+01 mv 6 20 161 26 0 - -1 e 1 47 etot 1.3528E+20 mv 6 20 36 115 0 - 4 e 320 18 etot -7.7595E+01 mv 6 20 139 68 0 - 4 e 359 31 etot -7.7767E+01 mv 6 20 161 166 0 - 4 e 369 32 etot -8.0718E+01 mv 6 20 161 156 0 - 4 e 157 42 etot -8.1589E+01 mv 6 20 36 191 0 - 4 e 277 36 etot -6.7494E+01 mv 6 20 161 155 0 - 4 e 369 9 etot -7.2676E+01 mv 6 20 73 151 0 - 4 e 287 1 etot -7.1936E+01 mv 6 20 73 153 0 - 4 e 395 12 etot -8.0152E+01 mv 6 20 139 18 0 - 4 e 409 14 etot -7.8923E+01 mv 6 20 139 145 0 - 4 e 404 20 etot -6.7719E+01 mv 6 20 139 88 0 - 4 e 412 29 etot -7.5946E+01 mv 6 20 97 51 0 c 51 175.2 0.5 - 4 e 184 43 etot -8.4110E+01 mv 6 20 36 1 0 c 36 5.1 0.0 - 4 e 450 10 etot -7.4477E+01 mv 6 20 73 89 0 - 4 e 448 22 etot -7.7594E+01 mv 6 20 97 21 0 f 111 469.3 2.3 - 4 e 498 2 etot -7.7159E+01 mv 6 20 73 113 0 c 73 346.0 1.5 - 4 e 287 39 etot -8.7081E+01 mv 6 20 161 186 0 c 161 2.6 0.0 - -1 e 1 64 etot 1.3528E+20 mv 6 20 66 146 0 - -1 e 1 65 etot 1.3528E+20 mv 6 20 66 67 0 - 4 e 122 55 etot -8.3383E+01 mv 6 20 141 162 0 c 141 275.4 0.3 - 4 e 498 8 etot -7.6107E+01 mv 6 20 73 20 0 - 4 e 255 27 etot -7.6585E+01 mv 6 20 97 11 0 - 4 e 473 3 etot -8.0020E+01 mv 6 20 73 118 0 f 16 438.4 4.7 - 4 e 135 57 etot -7.6423E+01 mv 6 20 141 42 0 c 42 3.1 0.0 - 4 e 489 40 etot -7.8166E+01 mv 6 20 161 49 0 - 4 e 293 44 etot -8.0288E+01 mv 6 20 36 150 0 - 4 e 196 51 etot -8.3111E+01 mv 6 20 141 132 0 - 4 e 281 25 etot -7.7346E+01 mv 6 20 97 68 0 - 4 e 570 19 etot -8.4301E+01 mv 6 20 139 101 0 - -1 e 1 76 etot 1.3528E+20 mv 6 20 84 107 0 - 4 e 417 46 etot -7.8464E+01 mv 6 20 36 189 0 - 4 e 577 23 etot -7.7450E+01 mv 6 20 97 55 0 - 4 e 305 45 etot -8.4128E+01 mv 6 20 36 16 0 c 36 61.7 0.0 - 4 e 297 34 etot -7.6954E+01 mv 6 20 161 75 0 - -1 e 1 81 etot 1.3528E+20 mv 6 20 60 41 0 - -1 e 1 82 etot 1.3528E+20 mv 6 20 60 57 0 - 4 e 327 26 etot -7.0896E+01 mv 6 20 97 144 0 - 4 e 378 52 etot -8.2865E+01 mv 6 20 141 36 0 - 4 e 608 17 etot -8.2031E+01 mv 6 20 139 71 0 c 5 367.2 1.9 - 4 e 629 35 etot -8.2433E+01 mv 6 20 161 56 0 c 25 367.3 2.1 - 4 e 226 58 etot -7.4182E+01 mv 6 20 141 82 0 - 4 e 218 63 etot -8.4291E+01 mv 6 20 66 178 0 - 4 e 210 67 etot -7.6183E+01 mv 6 20 66 33 0 - 4 e 343 48 etot -7.6734E+01 mv 6 20 36 153 0 - 4 e 158 71 etot -8.5283E+01 mv 6 20 84 123 0 - 4 e 190 70 etot -6.8932E+01 mv 6 20 66 161 0 - 4 e 131 78 etot -6.8328E+01 mv 6 20 84 118 0 - 4 e 452 53 etot -7.0994E+01 mv 6 20 141 194 0 - 4 e 272 62 etot -8.2433E+01 mv 6 20 66 101 0 - 4 e 207 72 etot -8.5583E+01 mv 6 20 84 87 0 c 84 0.9 0.0 - 4 e 377 56 etot -8.4667E+01 mv 6 20 141 44 0 - -1 e 1 98 etot 1.3528E+20 mv 6 20 166 7 0 - 4 e 241 73 etot -8.3888E+01 mv 6 20 84 31 0 - 4 e 416 54 etot -8.4518E+01 mv 6 20 141 29 0 c 141 67.4 1.1 - 4 e 418 60 etot -8.2866E+01 mv 6 20 141 78 0 - 4 e 220 85 etot -6.4356E+01 mv 6 20 60 95 0 - 4 e 191 87 etot -8.2745E+01 mv 6 20 60 72 0 c 60 1.8 0.0 - 4 e 61 101 etot -8.2075E+01 mv 6 20 8 83 0 c 83 0.3 0.0 - 4 e 235 77 etot -7.8111E+01 mv 6 20 84 120 0 - 4 e 314 79 etot -8.2020E+01 mv 6 20 84 172 0 - -1 e 1 107 etot 1.3528E+20 mv 6 20 8 66 0 - 4 e 225 92 etot -7.3232E+01 mv 6 20 166 42 0 - 4 e 265 90 etot -7.1267E+01 mv 6 20 60 165 0 - 4 e 85 106 etot -8.1862E+01 mv 6 20 8 135 0 c 135 0.6 0.0 - 4 e 438 68 etot -7.4374E+01 mv 6 20 66 185 0 - 4 e 245 97 etot -6.8136E+01 mv 6 20 166 34 0 - 4 e 289 93 etot -7.8606E+01 mv 6 20 166 190 0 - -1 e 1 114 etot 1.3528E+20 mv 6 20 145 186 0 - 4 e 585 49 etot -7.9429E+01 mv 6 20 36 51 0 - 4 e 289 95 etot -7.1818E+01 mv 6 20 166 138 0 - 4 e 292 94 etot -8.2610E+01 mv 6 20 166 24 0 c 166 57.2 0.1 - 4 e 180 69 etot -8.3214E+01 mv 6 20 66 84 0 f 113 413.1 7.9 - 4 e 323 89 etot -7.5218E+01 mv 6 20 60 84 0 - 4 e 321 74 etot -6.8897E+01 mv 6 20 84 187 0 - 4 e 275 99 etot -8.2553E+01 mv 6 20 166 117 0 - 4 e 541 50 etot -7.8552E+01 mv 6 20 36 17 0 c 17 196.4 2.2 - 4 e 658 59 etot -7.4698E+01 mv 6 20 141 116 0 - 4 e 204 108 etot -8.7631E+01 mv 6 20 8 41 0 - 4 e 409 86 etot -7.4579E+01 mv 6 20 60 99 0 - 4 e 167 113 etot -6.9963E+01 mv 6 20 145 47 0 - 4 e 571 80 etot -7.1868E+01 mv 6 20 84 122 0 - 4 e 673 61 etot -7.6969E+01 mv 6 20 66 117 0 - 4 e 300 104 etot -6.8425E+01 mv 6 20 8 11 0 - 4 e 470 88 etot -7.4835E+01 mv 6 20 60 198 0 - 4 e 207 117 etot -6.9173E+01 mv 6 20 145 144 0 - 4 e 165 122 etot -7.1235E+01 mv 6 20 95 131 0 - 4 e 204 83 etot -8.0895E+01 mv 6 20 60 106 0 - 4 e 371 91 etot -7.0325E+01 mv 6 20 166 95 0 - 4 e 298 109 etot -7.6766E+01 mv 6 20 8 115 0 - 4 e 518 66 etot -8.6121E+01 mv 6 20 66 24 0 c 4 313.4 2.5 - 4 e 243 115 etot -7.4950E+01 mv 6 20 145 86 0 - 4 e 250 120 etot -8.2461E+01 mv 6 20 145 82 0 - 4 e 288 111 etot -6.9743E+01 mv 6 20 145 63 0 - 4 e 290 112 etot -8.2401E+01 mv 6 20 145 72 0 - 4 e 431 102 etot -8.0370E+01 mv 6 20 8 88 0 f 151 431.7 5.0 - 4 e 186 121 etot -6.6639E+01 mv 6 20 95 99 0 - 4 e 225 84 etot -7.2707E+01 mv 6 20 60 126 0 - 4 e 428 105 etot -7.9084E+01 mv 6 20 8 146 0 - 4 e 545 100 etot -8.2105E+01 mv 6 20 166 174 0 c 32 408.3 5.7 - 4 e 201 123 etot -8.3474E+01 mv 6 20 95 17 0 c 95 135.3 1.7 - 4 e 500 103 etot -8.9199E+01 mv 6 20 8 167 0 - 4 e 387 116 etot -8.1932E+01 mv 6 20 145 92 0 - 4 e 390 118 etot -8.0599E+01 mv 6 20 145 113 0 - -1 e 1 150 etot 1.3528E+20 mv 6 20 198 69 0 - 4 e 692 96 etot -7.0613E+01 mv 6 20 166 61 0 - 4 e 301 126 etot -8.1762E+01 mv 6 20 95 16 0 - 4 e 352 125 etot -8.0110E+01 mv 6 20 95 157 0 - -1 e 1 154 etot 1.3528E+20 mv 6 20 169 69 0 - 4 e 198 140 etot -8.0458E+01 mv 6 20 168 16 0 - 4 e 404 124 etot -7.0847E+01 mv 6 20 95 168 0 - 4 e 282 132 etot -7.2871E+01 mv 6 20 168 195 0 - 4 e 331 130 etot -8.0237E+01 mv 6 20 95 142 0 - 4 e 344 129 etot -7.7750E+01 mv 6 20 95 160 0 - 4 e 218 119 etot -7.4621E+01 mv 6 20 145 48 0 - 4 e 309 136 etot -7.6259E+01 mv 6 20 168 58 0 - 4 e 294 138 etot -8.1340E+01 mv 6 20 168 185 0 - 4 e 247 145 etot -8.0046E+01 mv 6 20 198 171 0 - 4 e 601 110 etot -7.0030E+01 mv 6 20 8 80 0 - 4 e 301 141 etot -7.0621E+01 mv 6 20 198 92 0 - 4 e 235 146 etot -7.7069E+01 mv 6 20 198 181 0 - 4 e 419 128 etot -7.9438E+01 mv 6 20 95 173 0 - 4 e 155 153 etot -8.2332E+01 mv 6 20 169 127 0 - 4 e 149 156 etot -8.1816E+01 mv 6 20 169 26 0 c 147 243.4 0.8 - 4 e 219 151 etot -8.2331E+01 mv 6 20 169 65 0 - -1 e 1 171 etot 1.3528E+20 mv 6 20 6 105 0 - 4 e 415 133 etot -7.8107E+01 mv 6 20 168 25 0 - 4 e 161 155 etot -8.1156E+01 mv 6 20 169 57 0 - 4 e 213 152 etot -8.1156E+01 mv 6 20 169 39 0 - 4 e 395 139 etot -7.3541E+01 mv 6 20 168 10 0 - 4 e 302 137 etot -7.6555E+01 mv 6 20 168 89 0 - 4 e 318 148 etot -7.5938E+01 mv 6 20 198 141 0 - 4 e 522 127 etot -7.7767E+01 mv 6 20 95 85 0 - 4 e 502 131 etot -7.9185E+01 mv 6 20 168 18 0 - 4 e 320 135 etot -8.3562E+01 mv 6 20 168 177 0 c 168 361.1 2.1 - 4 e 199 163 etot -7.4785E+01 mv 6 20 53 102 0 - 4 e 521 75 etot -8.6995E+01 mv 6 20 84 134 0 c 84 159.7 1.4 - 4 e 146 161 etot -8.0480E+01 mv 6 20 53 44 0 - 4 e 465 142 etot -7.5810E+01 mv 6 20 198 115 0 f 39 527.8 0.5 - 4 e 271 159 etot -8.1156E+01 mv 6 20 169 192 0 - 4 e 201 167 etot -7.6738E+01 mv 6 20 53 109 0 f 140 448.4 1.3 - 4 e 297 147 etot -7.9213E+01 mv 6 20 198 94 0 - 4 e 324 157 etot -8.0203E+01 mv 6 20 169 192 0 - 4 e 216 168 etot -7.2085E+01 mv 6 20 53 165 0 - 4 e 296 160 etot -7.7141E+01 mv 6 20 169 85 0 - -1 e 1 191 etot 1.3528E+20 mv 6 20 54 179 0 - 4 e 182 170 etot -8.1690E+01 mv 6 20 53 46 0 c 53 147.5 1.0 - 4 e 444 149 etot -8.5062E+01 mv 6 20 198 150 0 - 4 e 274 165 etot -8.1129E+01 mv 6 20 53 46 0 - -1 e 1 194 etot 1.3528E+20 mv 6 20 54 172 0 - -1 e 1 195 etot 1.3526E+21 mv 6 20 54 145 0 - 4 e 176 179 etot -7.7238E+01 mv 6 20 6 42 0 c 42 104.5 0.8 - 4 e 145 177 etot -7.8930E+01 mv 6 20 6 147 0 - 4 e 331 166 etot -7.4039E+01 mv 6 20 53 114 0 - 4 e 139 187 etot -6.3305E+01 mv 6 20 44 160 0 - 8 e 113 192 etot -6.3992E+01 mv 6 20 54 189 0 - 4 e 262 176 etot -7.1966E+01 mv 6 20 6 151 0 - 4 e 307 172 etot -7.0355E+01 mv 6 20 6 183 0 - -1 e 1 204 etot 1.3528E+20 mv 2 20 73 -192 0 - 4 e 331 169 etot -6.8390E+01 mv 6 20 53 192 0 - 4 e 437 158 etot -7.2723E+01 mv 6 20 169 42 0 - 4 e 435 164 etot -7.3390E+01 mv 6 20 53 186 0 - 4 e 346 174 etot -8.3803E+01 mv 6 20 6 115 0 c 115 223.2 1.2 - -1 e 1 209 etot 1.3528E+20 mv 2 20 139 -15 0 - 4 e 459 162 etot -7.6079E+01 mv 6 20 53 77 0 - 4 e 494 134 etot -7.7202E+01 mv 6 20 168 114 0 - 4 e 547 143 etot -8.2564E+01 mv 6 20 198 143 0 c 198 99.7 1.2 - 4 e 141 203 etot -7.0566E+01 mv 2 20 73 -20 0 - 4 e 482 144 etot -8.3253E+01 mv 6 20 198 179 0 - -1 e 1 215 etot 1.3528E+20 mv 2 20 97 -30 0 - 4 e 223 198 etot -6.6882E+01 mv 6 20 54 21 0 - 4 e 295 190 etot -7.3434E+01 mv 6 20 44 100 0 - -1 e 1 217 etot 1.3528E+20 mv 2 20 161 -93 0 - 4 e 452 175 etot -7.4635E+01 mv 6 20 6 107 0 - 4 e 154 206 etot -8.6904E+01 mv 2 20 139 -63 0 - 4 e 421 180 etot -7.9957E+01 mv 6 20 6 95 0 - 4 e 141 208 etot -6.6120E+01 mv 2 20 139 -72 0 - 4 e 203 200 etot -8.3704E+01 mv 6 20 54 134 0 c 54 138.2 3.5 - 4 e 310 196 etot -6.6460E+01 mv 6 20 54 48 0 - 4 e 288 183 etot -8.0361E+01 mv 6 20 44 39 0 c 44 3.2 0.0 - 4 e 549 173 etot -8.0386E+01 mv 6 20 6 183 0 - 4 e 435 182 etot -7.1629E+01 mv 6 20 44 74 0 - 4 e 425 186 etot -7.9137E+01 mv 6 20 44 115 0 - 4 e 384 189 etot -8.3308E+01 mv 6 20 44 55 0 - -1 e 1 230 etot 1.3528E+20 mv 2 20 141 -136 0 - 4 e 253 205 etot -6.7598E+01 mv 2 20 73 -90 0 - -1 e 1 231 etot 1.3528E+20 mv 2 20 66 -39 0 - 4 e 162 214 etot -6.2407E+01 mv 2 20 97 -30 0 - 4 e 275 211 etot -6.8743E+01 mv 2 20 97 -92 0 - 4 e 593 178 etot -7.2204E+01 mv 6 20 6 41 0 - 4 e 472 197 etot -8.1151E+01 mv 6 20 54 12 0 f 7 477.2 5.7 - -1 e 1 237 etot 1.3528E+20 mv 2 20 84 -188 0 - 4 e 235 220 etot -7.1048E+01 mv 2 20 161 -168 0 - 4 e 586 185 etot -8.0163E+01 mv 6 20 44 84 0 - 4 e 434 207 etot -6.8629E+01 mv 2 20 139 -20 0 - 4 e 426 210 etot -8.8358E+01 mv 2 20 139 -187 0 - 4 e 312 219 etot -8.5505E+01 mv 2 20 161 -85 0 - 4 e 496 181 etot -7.6003E+01 mv 6 20 44 134 0 - 4 e 493 202 etot -7.7869E+01 mv 2 20 73 -98 0 f 155 415.6 2.3 - 4 e 644 193 etot -6.7631E+01 mv 6 20 54 195 0 - 4 e 151 240 etot -7.1864E+01 mv 2 20 84 -135 0 - 4 e 296 233 etot -7.1294E+01 mv 2 20 66 -2 0 - -1 e 1 248 etot 1.3528E+20 mv 2 20 166 -19 0 - 4 e 327 227 etot -5.7699E+01 mv 2 20 141 -41 0 - 4 e 427 199 etot -8.0263E+01 mv 6 20 54 72 0 c 72 57.5 0.2 - 4 e 610 201 etot -7.1653E+01 mv 2 20 73 -81 0 - 4 e 251 235 etot -7.5544E+01 mv 2 20 66 -82 0 - 4 e 346 229 etot -7.0837E+01 mv 2 20 141 -177 0 - -1 e 1 254 etot 1.3528E+20 mv 2 20 8 -192 0 - 4 e 306 216 etot -7.2442E+01 mv 2 20 161 -192 0 - 4 e 393 225 etot -7.7552E+01 mv 2 20 36 -54 0 - 4 e 540 188 etot -6.8385E+01 mv 6 20 44 78 0 - 4 e 555 184 etot -7.6002E+01 mv 6 20 44 23 0 - -1 e 1 259 etot 1.3528E+20 mv 2 20 145 -36 0 - 4 e 230 239 etot -7.2813E+01 mv 2 20 84 -178 0 - -1 e 1 261 etot 1.3528E+20 mv 2 20 95 -141 0 - 4 e 383 228 etot -6.3342E+01 mv 2 20 141 -79 0 - 4 e 272 226 etot -8.2862E+01 mv 2 20 141 -2 0 - 4 e 299 236 etot -8.5165E+01 mv 2 20 84 -170 0 - 4 e 387 232 etot -7.4072E+01 mv 2 20 66 -8 0 - 4 e 195 242 etot -6.4108E+01 mv 2 20 60 -95 0 - 4 e 510 218 etot -8.4104E+01 mv 2 20 161 -139 0 c 25 333.7 1.7 - 4 e 431 234 etot -7.0613E+01 mv 2 20 66 -175 0 - 4 e 479 212 etot -6.7856E+01 mv 2 20 97 -32 0 - 4 e 592 223 etot -7.7128E+01 mv 2 20 36 -88 0 f 67 493.4 1.5 - 4 e 139 266 etot -8.1420E+01 mv 2 20 168 -19 0 - 4 e 594 224 etot -7.0962E+01 mv 2 20 36 -173 0 - 4 e 646 221 etot -7.8494E+01 mv 2 20 36 -109 0 - -1 e 1 274 etot 1.3528E+20 mv 2 20 198 -104 0 - 4 e 209 262 etot -6.3398E+01 mv 2 20 95 -48 0 - 4 e 254 250 etot -8.2668E+01 mv 2 20 166 -24 0 c 166 89.8 0.1 - 4 e 667 222 etot -7.7765E+01 mv 2 20 36 -136 0 f 85 430.8 2.1 - -1 e 1 277 etot 1.3528E+20 mv 2 20 169 -139 0 - 4 e 243 255 etot -8.9200E+01 mv 2 20 8 -62 0 c 8 1.5 0.0 - -1 e 1 279 etot 1.3528E+20 mv 2 20 169 -18 0 - 4 e 190 265 etot -8.1762E+01 mv 2 20 95 -97 0 - 4 e 162 258 etot -6.1446E+01 mv 2 20 145 -6 0 - 4 e 272 252 etot -7.5745E+01 mv 2 20 8 -141 0 f 11 418.7 0.0 - 4 e 306 249 etot -6.9338E+01 mv 2 20 166 -94 0 - 4 e 296 263 etot -6.3512E+01 mv 2 20 95 -140 0 - 4 e 218 256 etot -6.5170E+01 mv 2 20 145 -133 0 - -1 e 1 287 etot 1.3528E+20 mv 2 20 6 -43 0 - -1 e 1 288 etot 1.3534E+20 mv 2 20 6 -170 0 - 4 e 308 257 etot -7.7763E+01 mv 2 20 145 -99 0 - 4 e 344 253 etot -7.2852E+01 mv 2 20 8 -49 0 - 4 e 544 213 etot -5.8225E+01 mv 2 20 97 -153 0 - 4 e 473 245 etot -7.0363E+01 mv 2 20 60 -186 0 - -1 e 1 293 etot 1.3528E+20 mv 2 20 44 -192 0 - 4 e 301 267 etot -5.0544E+01 mv 2 20 168 -85 0 - 4 e 341 244 etot -6.7584E+01 mv 2 20 60 -193 0 - 4 e 429 247 etot -6.1302E+01 mv 2 20 166 -178 0 - 4 e 166 270 etot -8.0458E+01 mv 2 20 168 -89 0 f 167 429.4 4.7 - 4 e 482 246 etot -7.8591E+01 mv 2 20 166 -131 0 - -1 e 1 299 etot 1.3528E+20 mv 2 20 54 -83 0 - 4 e 571 241 etot -6.9727E+01 mv 2 20 60 -45 0 - 4 e 192 276 etot -8.1156E+01 mv 2 20 169 -134 0 - 4 e 638 238 etot -7.6393E+01 mv 2 20 84 -89 0 f 11 481.3 0.6 - 4 e 360 268 etot -7.6276E+01 mv 2 20 168 -194 0 - 4 e 308 269 etot -7.5729E+01 mv 2 20 168 -115 0 - 4 e 150 290 etot -8.0386E+01 mv 2 20 6 -76 0 c 6 3.2 0.0 - 4 e 303 272 etot -5.0905E+01 mv 2 20 198 -113 0 - 4 e 219 291 etot -6.7434E+01 mv 2 20 44 -120 0 - 4 e 181 295 etot -6.3796E+01 mv 2 20 44 -26 0 - -1 e 1 309 etot 1.3528E+20 mv 1 20 139 -1 0 - 4 e 359 264 etot -7.6423E+01 mv 2 20 95 -25 0 - 4 e 686 243 etot -7.0355E+01 mv 2 20 60 -89 0 - 4 e 391 273 etot -7.2313E+01 mv 2 20 198 -32 0 - -1 e 1 313 etot 1.3528E+20 mv 1 20 97 -178 0 - 4 e 408 260 etot -8.1115E+01 mv 2 20 145 -39 0 - 4 e 294 286 etot -7.3517E+01 mv 2 20 6 -82 0 - 4 e 386 275 etot -8.1359E+01 mv 2 20 198 -86 0 - -1 e 1 317 etot 1.3528E+20 mv 1 20 161 -63 0 - 4 e 194 301 etot -7.5640E+01 mv 1 20 73 -72 0 - 4 e 371 282 etot -8.0631E+01 mv 2 20 53 -145 0 - 4 e 257 294 etot -8.0361E+01 mv 2 20 44 -179 0 c 44 2.1 0.0 - -1 e 1 321 etot 1.3528E+20 mv 1 20 36 -92 0 - 4 e 246 300 etot -7.9024E+01 mv 2 20 54 -149 0 - 4 e 198 306 etot -8.5655E+01 mv 1 20 139 -30 0 - 4 e 243 289 etot -7.9750E+01 mv 2 20 6 -140 0 - 4 e 450 278 etot -7.3145E+01 mv 2 20 169 -108 0 - 4 e 494 251 etot -8.5575E+01 mv 2 20 8 -52 0 - 4 e 468 284 etot -7.1168E+01 mv 2 20 53 -187 0 - 4 e 291 302 etot -6.2368E+01 mv 1 20 73 -122 0 - 4 e 480 281 etot -7.9432E+01 mv 2 20 53 -16 0 - 8 e 298 303 etot -6.3985E+01 mv 1 20 73 -17 0 - 4 e 357 283 etot -7.2039E+01 mv 2 20 53 -172 0 - 4 e 625 271 etot -7.9689E+01 mv 2 20 198 -158 0 - -1 e 1 333 etot 1.3528E+20 mv 1 20 66 -161 0 - 4 e 273 296 etot -8.0184E+01 mv 2 20 54 -15 0 - 4 e 314 307 etot -8.5060E+01 mv 1 20 139 -7 0 - 4 e 210 316 etot -8.7081E+01 mv 1 20 161 -69 0 - 4 e 350 292 etot -6.7103E+01 mv 2 20 44 -96 0 - 4 e 598 280 etot -8.2785E+01 mv 2 20 169 -129 0 c 147 271.0 1.0 - 4 e 396 305 etot -6.2467E+01 mv 1 20 73 -133 0 - 4 e 250 318 etot -5.7024E+01 mv 1 20 161 -143 0 - 4 e 607 285 etot -8.1678E+01 mv 2 20 53 -97 0 - 4 e 276 320 etot -8.7081E+01 mv 1 20 161 -189 0 - 4 e 272 322 etot -7.6486E+01 mv 1 20 36 -99 0 - 4 e 517 297 etot -5.8322E+01 mv 2 20 54 -13 0 - 4 e 256 311 etot -7.6858E+01 mv 1 20 97 -48 0 - 4 e 409 308 etot -8.8288E+01 mv 1 20 139 -4 0 - 4 e 400 310 etot -7.4574E+01 mv 1 20 139 -82 0 - 4 e 325 319 etot -8.6491E+01 mv 1 20 161 -33 0 - 4 e 186 336 etot -8.5583E+01 mv 1 20 84 -9 0 - 4 e 254 331 etot -8.2718E+01 mv 1 20 66 -36 0 c 66 2.9 0.0 - 4 e 217 325 etot -8.4110E+01 mv 1 20 36 -194 0 - 4 e 615 304 etot -7.6678E+01 mv 1 20 73 -150 0 f 175 449.4 0.9 - 4 e 203 340 etot -8.5096E+01 mv 1 20 84 -6 0 - -1 e 1 354 etot 1.3528E+20 mv 1 20 8 -43 0 - 4 e 383 324 etot -8.4200E+01 mv 1 20 36 -3 0 c 36 91.0 0.1 - 4 e 155 348 etot -5.6025E+01 mv 1 20 166 -156 0 - 4 e 558 312 etot -8.5338E+01 mv 1 20 97 -32 0 c 97 9.6 0.0 - 4 e 403 329 etot -8.0869E+01 mv 1 20 141 -30 0 f 39 509.2 5.1 - 4 e 351 315 etot -8.3866E+01 mv 1 20 97 -172 0 - 4 e 512 298 etot -6.1143E+01 mv 2 20 54 -56 0 - 4 e 486 323 etot -7.9251E+01 mv 1 20 36 -23 0 - 4 e 358 334 etot -7.5988E+01 mv 1 20 66 -178 0 - 4 e 243 344 etot -8.0315E+01 mv 1 20 60 -146 0 - 4 e 311 339 etot -8.5581E+01 mv 1 20 84 -176 0 - 4 e 236 335 etot -8.2718E+01 mv 1 20 66 -135 0 - 4 e 291 341 etot -7.5461E+01 mv 1 20 60 -46 0 - 4 e 358 337 etot -7.1272E+01 mv 1 20 84 -36 0 - 4 e 581 314 etot -7.2976E+01 mv 1 20 97 -72 0 - 4 e 493 328 etot -8.0980E+01 mv 1 20 141 -22 0 - 4 e 209 353 etot -8.9200E+01 mv 1 20 8 -23 0 - 4 e 196 355 etot -7.9239E+01 mv 1 20 8 -109 0 - 4 e 255 350 etot -8.2554E+01 mv 1 20 166 -79 0 - 4 e 578 330 etot -7.4928E+01 mv 1 20 141 -55 0 - 4 e 644 326 etot -8.1175E+01 mv 1 20 141 -162 0 - 4 e 348 338 etot -8.4498E+01 mv 1 20 84 -167 0 - 4 e 402 349 etot -7.4289E+01 mv 1 20 166 -46 0 - 4 e 466 345 etot -8.2249E+01 mv 1 20 60 -19 0 - 4 e 383 351 etot -8.9199E+01 mv 1 20 8 -183 0 - 4 e 504 342 etot -6.9466E+01 mv 1 20 60 -153 0 - 4 e 463 347 etot -7.6367E+01 mv 1 20 166 -25 0 - -1 e 1 381 etot 1.3528E+20 mv 1 20 53 -77 0 - 4 e 268 368 etot -7.5018E+01 mv 1 20 168 -124 0 - 4 e 221 370 etot -8.0690E+01 mv 1 20 168 -133 0 c 167 135.7 0.2 - 4 e 361 346 etot -7.8534E+01 mv 1 20 166 -182 0 - 4 e 339 358 etot -7.8374E+01 mv 1 20 145 -30 0 - 4 e 206 372 etot -7.7561E+01 mv 1 20 198 -176 0 f 131 490.2 1.7 - -1 e 1 387 etot 1.3528E+20 mv 1 20 6 -17 0 - 4 e 411 356 etot -8.1968E+01 mv 1 20 145 -119 0 - 4 e 491 332 etot -7.1614E+01 mv 1 20 66 -77 0 - 4 e 595 343 etot -7.3690E+01 mv 1 20 60 -165 0 - 4 e 357 365 etot -7.0077E+01 mv 1 20 95 -39 0 - 4 e 358 352 etot -7.3557E+01 mv 1 20 8 -147 0 - 4 e 355 369 etot -7.8070E+01 mv 1 20 168 -115 0 - 4 e 117 383 etot -6.0778E+01 mv 1 20 53 -85 0 - 4 e 436 359 etot -8.1125E+01 mv 1 20 145 -188 0 - 4 e 591 327 etot -7.8670E+01 mv 1 20 141 -103 0 - 4 e 164 382 etot -5.5988E+01 mv 1 20 53 -136 0 - -1 e 1 398 etot 7.1063E+22 mv 1 20 54 -80 0 - 4 e 247 377 etot -7.1009E+01 mv 1 20 169 -61 0 - 4 e 288 375 etot -7.9747E+01 mv 1 20 198 -128 0 - 4 e 157 388 etot -6.9926E+01 mv 1 20 6 -147 0 - 4 e 174 384 etot -8.0656E+01 mv 1 20 53 -142 0 - 4 e 256 379 etot -6.9998E+01 mv 1 20 169 -62 0 - 4 e 381 374 etot -8.1360E+01 mv 1 20 198 -4 0 - 4 e 255 380 etot -8.1150E+01 mv 1 20 169 -11 0 - 4 e 286 378 etot -6.6265E+01 mv 1 20 169 -171 0 - 4 e 531 364 etot -7.5642E+01 mv 1 20 95 -26 0 - 4 e 423 371 etot -8.0832E+01 mv 1 20 198 -173 0 - 4 e 363 361 etot -8.1761E+01 mv 1 20 95 -1 0 - 4 e 379 360 etot -8.2540E+01 mv 1 20 145 -106 0 c 145 24.3 0.0 - 4 e 68 402 etot -8.8359E+01 mv 0 20 139 0 0 c 139 0.6 0.0 - 4 e 597 357 etot -6.0981E+01 mv 1 20 145 -175 0 - 4 e 378 366 etot -7.9132E+01 mv 1 20 168 -171 0 - 4 e 557 367 etot -6.7110E+01 mv 1 20 168 -171 0 - 4 e 124 401 etot -7.5640E+01 mv 0 20 73 0 0 - 4 e 589 363 etot -7.8283E+01 mv 1 20 95 -80 0 - 4 e 189 385 etot -8.0656E+01 mv 1 20 53 -110 0 - 4 e 84 408 etot -8.5583E+01 mv 0 20 84 0 0 - 4 e 290 389 etot -7.5880E+01 mv 1 20 6 -190 0 -## N0 total= 19 close= 5 far= 0 %acc 26.3 -## N1 total= 101 close= 5 far= 4 %acc 8.9 -## N2 total= 100 close= 6 far= 6 %acc 12.0 -## N3 total= 0 close= 0 far= 0 %acc 0.0 -## N4 total= 0 close= 0 far= 0 %acc 0.0 -## N5 total= 0 close= 0 far= 0 %acc 0.0 -## N6 total= 200 close= 30 far= 7 %acc 18.5 -## N7 total= 0 close= 0 far= 0 %acc 0.0 -## N8 total= 0 close= 0 far= 0 %acc 0.0 -## N9 total= 0 close= 0 far= 0 %acc 0.0 -##N10 total= 0 close= 0 far= 0 %acc 0.0 -##N11 total= 0 close= 0 far= 0 %acc 0.0 -##N12 total= 0 close= 0 far= 0 %acc 0.0 -##N13 total= 0 close= 0 far= 0 %acc 0.0 -##N14 total= 0 close= 0 far= 0 %acc 0.0 -##N15 total= 0 close= 0 far= 0 %acc 0.0 -##N16 total= 0 close= 0 far= 0 %acc 0.0 -##N17 total= 0 close= 0 far= 0 %acc 0.0 -##N18 total= 0 close= 0 far= 0 %acc 0.0 - Time for refresh 21 0.27 - make_var : nseed= 20 ntry= 420 - Time for make trial 22 0.05 -Nonsetup time 46.91 sec, Eval/s = 61416.85 -Time for iter 22 1.77 sec, Eval/s = 69628.04 - UPDATING 420 - 4 e 124 404 etot -8.7082E+01 mv 0 20 161 0 0 c 161 1.6 0.0 - 4 e 294 412 etot -8.2541E+01 mv 0 20 145 0 0 c 145 2.8 0.0 - 4 e 331 395 etot -8.0361E+01 mv 1 20 44 -141 0 - 4 e 612 400 etot -7.2579E+01 mv 1 20 54 -125 0 - 4 e 518 386 etot -7.9142E+01 mv 1 20 6 -68 0 - 4 e 539 391 etot -8.0756E+01 mv 1 20 44 -172 0 c 44 129.3 0.4 - 4 e 678 373 etot -6.5193E+01 mv 1 20 198 -42 0 - 4 e 332 394 etot -7.9530E+01 mv 1 20 44 -68 0 c 50 309.6 1.4 - 4 e 113 417 etot -8.0656E+01 mv 0 20 53 0 0 - 4 e 148 419 etot -8.0361E+01 mv 0 20 44 0 0 - 4 e 361 392 etot -7.3197E+01 mv 1 20 44 -74 0 - 4 e 123 405 etot -8.4110E+01 mv 0 20 36 0 0 - 4 e 102 407 etot -8.2719E+01 mv 0 20 66 0 0 c 66 1.4 0.0 - 4 e 457 399 etot -7.5330E+01 mv 1 20 54 -53 0 - 4 e 148 403 etot -8.5320E+01 mv 0 20 97 0 0 - 4 e 130 415 etot -8.1361E+01 mv 0 20 198 0 0 - 4 e 135 420 etot -8.0184E+01 mv 0 20 54 0 0 - 4 e 635 362 etot -8.0484E+01 mv 1 20 95 -16 0 - 4 e 117 416 etot -8.1157E+01 mv 0 20 169 0 0 c 169 0.7 0.0 - 4 e 164 406 etot -8.3111E+01 mv 0 20 141 0 0 - 4 e 436 396 etot -6.5828E+01 mv 1 20 54 -96 0 - -1 e 1 11 etot 5.3680E+25 mv 6 21 4 127 0 - -1 e 1 12 etot 1.0470E+22 mv 6 21 4 184 0 - 4 e 90 413 etot -8.1762E+01 mv 0 20 95 0 0 - -1 e 1 14 etot 2.2932E+25 mv 6 21 4 157 0 - 4 e 123 409 etot -8.2746E+01 mv 0 20 60 0 0 c 60 1.3 0.0 - 4 e 132 418 etot -8.0386E+01 mv 0 20 6 0 0 c 6 1.4 0.0 - 4 e 397 393 etot -6.7423E+01 mv 1 20 44 -178 0 - -1 e 1 19 etot 1.0446E+20 mv 6 21 4 185 0 - 4 e 121 411 etot -8.9201E+01 mv 0 20 8 0 0 c 8 0.7 0.0 - 4 e 97 410 etot -8.2554E+01 mv 0 20 166 0 0 - 4 e 505 397 etot -7.0816E+01 mv 1 20 54 -9 0 - 4 e 196 390 etot -8.0595E+01 mv 1 20 6 -175 0 c 6 5.8 0.2 - 4 e 330 376 etot -8.0885E+01 mv 1 20 169 -157 0 - 4 e 90 414 etot -8.1420E+01 mv 0 20 168 0 0 c 167 45.4 0.7 - -1 e 1 27 etot 1.3528E+20 mv 6 21 1 173 0 - -1 e 1 18 etot 1.3528E+20 mv 6 21 4 175 0 - 4 e 175 5 etot -7.7769E+01 mv 6 21 172 85 0 c 85 4.8 0.0 - 4 e 168 21 etot -8.3855E+01 mv 6 21 1 160 0 c 160 197.3 2.3 - 4 e 257 7 etot -8.0830E+01 mv 6 21 172 48 0 - -1 e 1 40 etot 1.3528E+20 mv 6 21 84 62 0 - 4 e 214 10 etot -7.6535E+01 mv 6 21 172 31 0 c 172 2.1 0.0 - 4 e 253 30 etot -7.1667E+01 mv 6 21 1 54 0 - 4 e 129 38 etot -8.1157E+01 mv 6 21 84 169 0 - -1 e 1 44 etot 1.3528E+20 mv 6 21 22 163 0 - 4 e 260 35 etot -8.5012E+01 mv 6 21 84 61 0 - 4 e 288 3 etot -7.7643E+01 mv 6 21 172 1 0 c 172 302.5 1.1 - 4 e 65 41 etot -8.1941E+01 mv 6 21 22 48 0 c 48 0.2 0.0 - 4 e 335 4 etot -7.7566E+01 mv 6 21 172 199 0 f 173 487.8 1.7 - 4 e 279 20 etot -7.4325E+01 mv 6 21 4 177 0 - 4 e 267 17 etot -7.8209E+01 mv 6 21 4 10 0 - 4 e 286 31 etot -7.9518E+01 mv 6 21 84 141 0 - 4 e 281 24 etot -7.5563E+01 mv 6 21 1 43 0 - 4 e 363 6 etot -8.1846E+01 mv 6 21 172 188 0 f 102 421.9 6.0 - -1 e 1 54 etot 1.3528E+20 mv 6 21 115 47 0 - 4 e 316 23 etot -8.5882E+01 mv 6 21 1 69 0 c 1 2.5 0.0 - 4 e 298 13 etot -7.0977E+01 mv 6 21 4 54 0 - -1 e 1 57 etot 1.3528E+20 mv 6 21 115 189 0 - 4 e 317 16 etot -8.0764E+01 mv 6 21 4 120 0 c 120 19.0 0.0 - 4 e 365 1 etot -8.2498E+01 mv 6 21 172 182 0 f 200 579.5 6.6 - 4 e 97 46 etot -8.4554E+01 mv 6 21 22 101 0 c 101 1.7 0.0 - 4 e 341 37 etot -8.9366E+01 mv 6 21 84 196 0 c 84 270.3 2.4 - 4 e 369 25 etot -8.5800E+01 mv 6 21 1 70 0 - 4 e 365 8 etot -7.3690E+01 mv 6 21 172 62 0 - 4 e 366 26 etot -8.0828E+01 mv 6 21 1 48 0 - 4 e 416 15 etot -7.6851E+01 mv 6 21 4 98 0 - 4 e 176 55 etot -6.2058E+01 mv 6 21 115 148 0 - 4 e 140 51 etot -6.5344E+01 mv 6 21 115 128 0 - -1 e 1 68 etot 1.3528E+20 mv 6 21 54 83 0 - 4 e 417 33 etot -7.8461E+01 mv 6 21 84 142 0 f 112 549.5 2.6 - 4 e 439 28 etot -7.5171E+01 mv 6 21 1 173 0 - 4 e 228 42 etot -6.4023E+01 mv 6 21 22 33 0 - 4 e 463 34 etot -7.5465E+01 mv 6 21 84 175 0 - 4 e 354 45 etot -8.5140E+01 mv 6 21 22 7 0 c 22 3.3 0.0 - 4 e 487 22 etot -7.1079E+01 mv 6 21 1 72 0 - 4 e 485 32 etot -8.1484E+01 mv 6 21 84 79 0 c 79 326.6 4.7 - 4 e 502 29 etot -8.5999E+01 mv 6 21 1 37 0 c 1 32.9 0.1 - 4 e 246 47 etot -8.4867E+01 mv 6 21 22 19 0 - 4 e 322 39 etot -8.2014E+01 mv 6 21 84 115 0 c 79 313.4 0.5 - 4 e 277 59 etot -8.0636E+01 mv 6 21 115 179 0 c 179 178.7 1.8 - 4 e 235 56 etot -7.6829E+01 mv 6 21 115 102 0 f 121 411.4 0.9 - 4 e 590 2 etot -7.7732E+01 mv 6 21 172 136 0 f 51 397.7 1.8 - 4 e 544 36 etot -7.9975E+01 mv 6 21 84 57 0 - 4 e 307 62 etot -8.2874E+01 mv 6 21 54 177 0 - 4 e 228 63 etot -7.7026E+01 mv 6 21 54 18 0 c 18 29.5 0.7 - 4 e 485 48 etot -7.4360E+01 mv 6 21 22 118 0 - 4 e 120 75 etot -8.2371E+01 mv 6 21 95 116 0 c 116 1.1 0.0 - 4 e 351 53 etot -8.1269E+01 mv 6 21 115 136 0 - 4 e 525 49 etot -7.9574E+01 mv 6 21 22 40 0 - 4 e 335 67 etot -7.3398E+01 mv 6 21 54 2 0 - -1 e 1 90 etot 1.3528E+20 mv 6 21 141 167 0 - 4 e 413 50 etot -7.1807E+01 mv 6 21 22 137 0 - 4 e 282 66 etot -8.3474E+01 mv 6 21 54 53 0 - -1 e 1 93 etot 1.3528E+20 mv 6 21 181 153 0 - 4 e 220 73 etot -8.3474E+01 mv 6 21 95 192 0 - 4 e 432 43 etot -8.2101E+01 mv 6 21 22 27 0 f 14 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370 etot -8.2223E+01 mv 1 21 127 -48 0 - 4 e 126 403 etot -8.5883E+01 mv 0 21 1 0 0 - 4 e 149 401 etot -7.6536E+01 mv 0 21 172 0 0 - 4 e 309 378 etot -7.2227E+01 mv 1 21 55 -18 0 - 4 e 294 389 etot -8.2046E+01 mv 1 21 154 -52 0 - 4 e 80 407 etot -8.3705E+01 mv 0 21 54 0 0 - 4 e 107 406 etot -8.3804E+01 mv 0 21 115 0 0 - 4 e 201 390 etot -8.1954E+01 mv 1 21 154 -52 0 - 4 e 373 384 etot -8.2505E+01 mv 1 21 157 -76 0 -## N0 total= 23 close= 10 far= 0 %acc 43.5 -## N1 total= 97 close= 10 far= 1 %acc 11.3 -## N2 total= 100 close= 8 far= 3 %acc 11.0 -## N3 total= 0 close= 0 far= 0 %acc 0.0 -## N4 total= 0 close= 0 far= 0 %acc 0.0 -## N5 total= 0 close= 0 far= 0 %acc 0.0 -## N6 total= 200 close= 38 far= 18 %acc 28.0 -## N7 total= 0 close= 0 far= 0 %acc 0.0 -## N8 total= 0 close= 0 far= 0 %acc 0.0 -## N9 total= 0 close= 0 far= 0 %acc 0.0 -##N10 total= 0 close= 0 far= 0 %acc 0.0 -##N11 total= 0 close= 0 far= 0 %acc 0.0 -##N12 total= 0 close= 0 far= 0 %acc 0.0 -##N13 total= 0 close= 0 far= 0 %acc 0.0 -##N14 total= 0 close= 0 far= 0 %acc 0.0 -##N15 total= 0 close= 0 far= 0 %acc 0.0 -##N16 total= 0 close= 0 far= 0 %acc 0.0 -##N17 total= 0 close= 0 far= 0 %acc 0.0 -##N18 total= 0 close= 0 far= 0 %acc 0.0 - Time for refresh 22 0.29 - make_var : nseed= 20 ntry= 420 - Time for make trial 23 0.06 -Nonsetup time 48.80 sec, Eval/s = 61766.55 -Time for iter 23 1.89 sec, Eval/s = 70443.37 - UPDATING 420 - 4 e 599 368 etot -7.2559E+01 mv 1 21 127 -79 0 - 4 e 294 391 etot -6.9309E+01 mv 1 21 20 -161 0 - 4 e 91 417 etot -8.2137E+01 mv 0 21 157 0 0 - 4 e 151 420 etot -8.1112E+01 mv 0 21 109 0 0 c 109 2.0 0.0 - 4 e 429 383 etot -7.0596E+01 mv 1 21 157 -21 0 - 4 e 102 418 etot -8.1955E+01 mv 0 21 154 0 0 - 4 e 168 411 etot -8.2669E+01 mv 0 21 166 0 0 c 166 1.0 0.0 - 4 e 631 362 etot -8.0422E+01 mv 1 21 77 -126 0 - 4 e 238 400 etot -8.1112E+01 mv 1 21 109 -11 0 - 4 e 619 382 etot -7.3269E+01 mv 1 21 157 -148 0 - 4 e 655 375 etot -7.6775E+01 mv 1 21 145 -180 0 - 4 e 191 413 etot -8.2755E+01 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mv 1 22 160 -154 0 - 4 e 253 368 etot -5.6761E+01 mv 1 22 172 -149 0 - 4 e 446 351 etot -8.2093E+01 mv 1 22 36 -136 0 - 4 e 373 360 etot -7.8023E+01 mv 1 22 188 -165 0 - 4 e 563 347 etot -8.1978E+01 mv 1 22 54 -127 0 - 4 e 461 354 etot -8.4888E+01 mv 1 22 36 -159 0 c 36 256.3 0.7 - 4 e 162 386 etot -8.2347E+01 mv 1 22 180 -42 0 - -1 e 1 394 etot 1.3528E+20 mv 1 22 32 -170 0 - 4 e 254 376 etot -8.2704E+01 mv 1 22 145 -22 0 - 4 e 290 373 etot -8.2634E+01 mv 1 22 157 -54 0 - 4 e 696 313 etot -8.7182E+01 mv 1 22 1 -80 0 c 1 320.0 1.2 - 4 e 182 389 etot -8.2145E+01 mv 1 22 180 -69 0 - 4 e 553 358 etot -7.5820E+01 mv 1 22 188 -181 0 - 4 e 265 371 etot -8.2910E+01 mv 1 22 157 -88 0 c 157 2.6 0.0 - 4 e 330 380 etot -5.9816E+01 mv 1 22 145 -33 0 - 4 e 334 384 etot -8.3100E+01 mv 1 22 200 -16 0 c 200 284.5 0.3 - 4 e 312 372 etot -6.6822E+01 mv 1 22 157 -146 0 - 4 e 246 393 etot -6.6868E+01 mv 1 22 32 -1 0 - 4 e 245 385 etot -8.2499E+01 mv 1 22 200 -13 0 - 4 e 267 391 etot -6.8309E+01 mv 1 22 32 -1 0 - 4 e 603 362 etot -8.0316E+01 mv 1 22 160 -128 0 - 4 e 683 359 etot -6.7875E+01 mv 1 22 188 -121 0 - 4 e 286 392 etot -6.6924E+01 mv 1 22 32 -119 0 - 4 e 323 388 etot -8.1815E+01 mv 1 22 180 -156 0 - 4 e 643 340 etot -7.2360E+01 mv 1 22 181 -38 0 - 4 e 443 377 etot -5.6221E+01 mv 1 22 145 -29 0 - 4 e 324 390 etot -7.3727E+01 mv 1 22 180 -150 0 - 4 e 382 387 etot -6.0692E+01 mv 1 22 180 -35 0 - 4 e 100 401 etot -7.8625E+01 mv 0 22 59 0 0 - 4 e 522 375 etot -8.2909E+01 mv 1 22 157 -68 0 - 4 e 77 408 etot -8.5060E+01 mv 0 22 181 0 0 c 181 1.0 0.0 - 4 e 653 367 etot -7.9526E+01 mv 1 22 172 -126 0 f 75 496.6 2.6 - 4 e 73 404 etot -8.4777E+01 mv 0 22 123 0 0 c 123 0.2 0.0 -## N0 total= 17 close= 10 far= 0 %acc 58.8 -## N1 total= 103 close= 11 far= 2 %acc 12.6 -## N2 total= 100 close= 4 far= 1 %acc 5.0 -## N3 total= 0 close= 0 far= 0 %acc 0.0 -## N4 total= 0 close= 0 far= 0 %acc 0.0 -## N5 total= 0 close= 0 far= 0 %acc 0.0 -## N6 total= 200 close= 35 far= 11 %acc 23.0 -## N7 total= 0 close= 0 far= 0 %acc 0.0 -## N8 total= 0 close= 0 far= 0 %acc 0.0 -## N9 total= 0 close= 0 far= 0 %acc 0.0 -##N10 total= 0 close= 0 far= 0 %acc 0.0 -##N11 total= 0 close= 0 far= 0 %acc 0.0 -##N12 total= 0 close= 0 far= 0 %acc 0.0 -##N13 total= 0 close= 0 far= 0 %acc 0.0 -##N14 total= 0 close= 0 far= 0 %acc 0.0 -##N15 total= 0 close= 0 far= 0 %acc 0.0 -##N16 total= 0 close= 0 far= 0 %acc 0.0 -##N17 total= 0 close= 0 far= 0 %acc 0.0 -##N18 total= 0 close= 0 far= 0 %acc 0.0 - Time for refresh 23 0.27 - make_var : nseed= 20 ntry= 420 - Time for make trial 24 0.07 -Nonsetup time 50.55 sec, Eval/s = 62014.56 -Time for iter 24 1.75 sec, Eval/s = 68945.90 - UPDATING 420 - 4 e 126 409 etot -8.4737E+01 mv 0 22 141 0 0 c 141 0.5 0.0 - 4 e 262 396 etot -8.2102E+01 mv 1 22 14 -66 0 - 4 e 145 414 etot -8.3385E+01 mv 0 22 172 0 0 - 4 e 665 370 etot -7.9710E+01 mv 1 22 172 -29 0 f 31 396.8 2.7 - 4 e 117 415 etot -8.2911E+01 mv 0 22 157 0 0 c 157 1.3 0.0 - 4 e 503 382 etot -6.1571E+01 mv 1 22 200 -162 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etot 1.3528E+20 mv 1 23 96 -177 0 - 4 e 246 365 etot -8.7203E+01 mv 1 23 124 -160 0 - 4 e 319 360 etot -8.1918E+01 mv 1 23 102 -59 0 - 4 e 467 344 etot -8.3313E+01 mv 1 23 16 -200 0 - 4 e 213 370 etot -8.0978E+01 mv 1 23 180 -8 0 - 4 e 515 343 etot -7.3416E+01 mv 1 23 16 -163 0 - 4 e 181 369 etot -7.9497E+01 mv 1 23 180 -181 0 - 4 e 544 342 etot -7.6831E+01 mv 1 23 16 -55 0 - -1 e 1 394 etot 1.3528E+20 mv 1 23 59 -114 0 - 4 e 493 328 etot -6.7155E+01 mv 1 23 54 -62 0 - 4 e 535 325 etot -8.2555E+01 mv 1 23 98 -83 0 - 4 e 631 337 etot -7.5009E+01 mv 1 23 25 -34 0 - 4 e 434 359 etot -8.1918E+01 mv 1 23 102 -41 0 - 4 e 543 346 etot -8.2522E+01 mv 1 23 170 -28 0 - 4 e 256 375 etot -8.5320E+01 mv 1 23 140 -25 0 - 4 e 348 367 etot -8.2594E+01 mv 1 23 180 -164 0 - 4 e 522 354 etot -7.0382E+01 mv 1 23 48 -94 0 - 4 e 352 356 etot -7.2702E+01 mv 1 23 102 -51 0 - 4 e 271 377 etot -6.2018E+01 mv 1 23 198 -13 0 - 4 e 337 358 etot -5.9028E+01 mv 1 23 102 -165 0 - 4 e 304 374 etot -8.5647E+01 mv 1 23 140 -58 0 c 140 33.4 0.3 - 4 e 271 381 etot -8.2031E+01 mv 1 23 5 -32 0 - 4 e 74 401 etot -8.3214E+01 mv 0 23 113 0 0 c 113 0.4 0.0 - 4 e 73 405 etot -8.4712E+01 mv 0 23 98 0 0 - 4 e 336 379 etot -8.1092E+01 mv 1 23 198 -192 0 - 4 e 85 403 etot -8.7232E+01 mv 0 23 174 0 0 c 174 0.7 0.0 - 4 e 194 390 etot -8.1564E+01 mv 1 23 96 -198 0 - 4 e 270 385 etot -7.4674E+01 mv 1 23 5 -35 0 - 4 e 36 411 etot -8.1941E+01 mv 0 23 48 0 0 c 48 0.0 0.0 - 4 e 462 347 etot -8.2059E+01 mv 1 23 170 -61 0 - 4 e 128 402 etot -8.5215E+01 mv 0 23 152 0 0 - 4 e 272 389 etot -7.2838E+01 mv 1 23 96 -14 0 - 4 e 115 407 etot -8.6378E+01 mv 0 23 82 0 0 c 82 0.4 0.0 - 4 e 101 404 etot -8.4391E+01 mv 0 23 35 0 0 c 194 190.8 4.8 -## N0 total= 24 close= 14 far= 0 %acc 58.3 -## N1 total= 96 close= 3 far= 2 %acc 5.2 -## N2 total= 100 close= 5 far= 2 %acc 7.0 -## N3 total= 0 close= 0 far= 0 %acc 0.0 -## N4 total= 0 close= 0 far= 0 %acc 0.0 -## N5 total= 0 close= 0 far= 0 %acc 0.0 -## N6 total= 200 close= 27 far= 10 %acc 18.5 -## N7 total= 0 close= 0 far= 0 %acc 0.0 -## N8 total= 0 close= 0 far= 0 %acc 0.0 -## N9 total= 0 close= 0 far= 0 %acc 0.0 -##N10 total= 0 close= 0 far= 0 %acc 0.0 -##N11 total= 0 close= 0 far= 0 %acc 0.0 -##N12 total= 0 close= 0 far= 0 %acc 0.0 -##N13 total= 0 close= 0 far= 0 %acc 0.0 -##N14 total= 0 close= 0 far= 0 %acc 0.0 -##N15 total= 0 close= 0 far= 0 %acc 0.0 -##N16 total= 0 close= 0 far= 0 %acc 0.0 -##N17 total= 0 close= 0 far= 0 %acc 0.0 -##N18 total= 0 close= 0 far= 0 %acc 0.0 - Time for refresh 24 0.28 - make_var : nseed= 20 ntry= 420 - Time for make trial 25 0.07 -Nonsetup time 52.43 sec, Eval/s = 62291.01 -Time for iter 25 1.88 sec, Eval/s = 69712.73 - UPDATING 420 - 4 e 430 392 etot -8.0375E+01 mv 1 23 59 -15 0 f 89 461.5 2.9 - 4 e 544 368 etot -8.4633E+01 mv 1 23 180 -112 0 - 4 e 388 383 etot -7.4273E+01 mv 1 23 5 -172 0 - 4 e 387 388 etot -7.9636E+01 mv 1 23 96 -136 0 - 4 e 361 391 etot -8.1522E+01 mv 1 23 59 -174 0 c 59 2.0 0.0 - 4 e 549 371 etot -8.5887E+01 mv 1 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etot -7.9396E+01 mv 6 24 110 73 0 - 4 e 447 141 etot -7.8617E+01 mv 6 24 167 73 0 - 4 e 214 161 etot -8.0951E+01 mv 6 24 116 184 0 c 184 168.9 0.5 - 4 e 263 146 etot -7.6183E+01 mv 6 24 167 40 0 - 4 e 606 107 etot -8.0541E+01 mv 6 24 5 198 0 - 4 e 669 127 etot -8.3456E+01 mv 6 24 73 93 0 - 4 e 256 164 etot -8.2371E+01 mv 6 24 116 128 0 - 4 e 195 171 etot -6.2427E+01 mv 6 24 11 73 0 - 4 e 179 181 etot -8.7507E+01 mv 6 24 154 101 0 - 4 e 177 170 etot -7.0952E+01 mv 6 24 116 193 0 - 4 e 495 150 etot -7.9451E+01 mv 6 24 167 197 0 - 4 e 481 154 etot -6.6899E+01 mv 6 24 110 36 0 - 4 e 238 179 etot -8.1202E+01 mv 6 24 11 35 0 - 4 e 197 185 etot -7.9954E+01 mv 6 24 154 193 0 - 4 e 660 140 etot -8.1770E+01 mv 6 24 102 135 0 - 4 e 262 180 etot -8.1300E+01 mv 6 24 11 88 0 - 4 e 479 159 etot -7.1118E+01 mv 6 24 110 8 0 - 4 e 386 166 etot -8.2512E+01 mv 6 24 116 192 0 c 116 240.3 0.1 - 4 e 248 184 etot -7.7766E+01 mv 6 24 154 111 0 - 4 e 401 169 etot -6.8501E+01 mv 6 24 116 66 0 - 4 e 286 186 etot 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etot -6.5264E+01 mv 2 24 152 -177 0 - 4 e 250 232 etot -6.7280E+01 mv 2 24 143 -80 0 - -1 e 1 263 etot 1.3528E+20 mv 2 24 73 -27 0 - 4 e 230 247 etot -5.5261E+01 mv 2 24 152 -125 0 - 4 e 461 228 etot -7.1542E+01 mv 2 24 147 -31 0 - 4 e 450 217 etot -8.4020E+01 mv 2 24 140 -171 0 - 4 e 257 250 etot -8.3759E+01 mv 2 24 152 -79 0 - 4 e 123 256 etot -8.2130E+01 mv 2 24 39 -3 0 c 39 0.6 0.0 - 4 e 363 243 etot -7.0794E+01 mv 2 24 115 -67 0 - 4 e 266 251 etot -8.2453E+01 mv 2 24 5 -61 0 - 4 e 468 234 etot -8.1184E+01 mv 2 24 143 -112 0 - 4 e 184 261 etot -6.4164E+01 mv 2 24 73 -145 0 - 4 e 278 252 etot -6.5681E+01 mv 2 24 5 -148 0 - 4 e 627 224 etot -7.9780E+01 mv 2 24 170 -49 0 - 4 e 398 245 etot -8.4901E+01 mv 2 24 115 -26 0 - 4 e 735 222 etot -7.0847E+01 mv 2 24 170 -187 0 - 4 e 333 241 etot -8.3201E+01 mv 2 24 115 -147 0 - 4 e 509 240 etot -8.6131E+01 mv 2 24 98 -107 0 - 4 e 264 262 etot -6.5634E+01 mv 2 24 73 -194 0 - 4 e 511 242 etot -6.4545E+01 mv 2 24 115 -83 0 - -1 e 1 281 etot 1.3528E+20 mv 2 24 116 -60 0 - -1 e 1 282 etot 1.3528E+20 mv 2 24 116 -63 0 - 4 e 404 233 etot -8.5210E+01 mv 2 24 143 -188 0 c 143 54.6 0.2 - -1 e 1 284 etot 1.3528E+20 mv 2 24 116 -193 0 - -1 e 1 285 etot 1.3528E+20 mv 2 24 116 -50 0 - 4 e 411 238 etot -6.9920E+01 mv 2 24 98 -44 0 - 8 e 351 257 etot -6.3994E+01 mv 2 24 39 -155 0 - 4 e 387 254 etot -7.9142E+01 mv 2 24 5 -2 0 - 4 e 177 270 etot -7.9881E+01 mv 2 24 102 -6 0 - 4 e 383 255 etot -7.9478E+01 mv 2 24 5 -32 0 - 4 e 443 253 etot -6.9082E+01 mv 2 24 5 -180 0 - 4 e 206 272 etot -6.7406E+01 mv 2 24 167 -76 0 - 4 e 428 260 etot -7.4084E+01 mv 2 24 39 -183 0 - 4 e 243 273 etot -8.1472E+01 mv 2 24 167 -37 0 - 4 e 481 237 etot -7.4398E+01 mv 2 24 98 -105 0 - 4 e 705 239 etot -7.8995E+01 mv 2 24 98 -130 0 c 85 276.5 0.4 - 4 e 469 258 etot -7.8572E+01 mv 2 24 39 -74 0 - -1 e 1 298 etot 1.3528E+20 mv 2 24 158 -13 0 - 4 e 349 266 etot -7.0309E+01 mv 2 24 102 -191 0 - 4 e 209 279 etot -6.9202E+01 mv 2 24 110 -125 0 - 4 e 254 276 etot -8.2040E+01 mv 2 24 110 -58 0 c 110 2.3 0.0 - 4 e 702 246 etot -7.8337E+01 mv 2 24 152 -81 0 - 4 e 326 275 etot -7.4340E+01 mv 2 24 167 -175 0 - 4 e 259 280 etot -8.2039E+01 mv 2 24 110 -169 0 - 4 e 195 286 etot -7.1376E+01 mv 2 24 11 -76 0 - 4 e 438 268 etot -7.5544E+01 mv 2 24 102 -162 0 - 4 e 293 269 etot -7.7735E+01 mv 2 24 102 -137 0 - 4 e 321 267 etot -6.8186E+01 mv 2 24 102 -94 0 - 4 e 263 289 etot -8.0065E+01 mv 2 24 11 -186 0 - 4 e 610 259 etot -7.6091E+01 mv 2 24 39 -69 0 - 4 e 450 271 etot -6.3978E+01 mv 2 24 167 -168 0 - 4 e 185 299 etot -8.1369E+01 mv 2 24 158 -172 0 - 4 e 279 292 etot -7.1433E+01 mv 2 24 154 -98 0 - -1 e 1 314 etot 1.3528E+20 mv 1 24 101 -67 0 - 4 e 277 293 etot -6.6362E+01 mv 2 24 154 -144 0 - 4 e 555 249 etot -7.8301E+01 mv 2 24 152 -5 0 - 4 e 200 301 etot -7.9507E+01 mv 1 24 12 -116 0 - 4 e 334 291 etot -8.3668E+01 mv 2 24 154 -132 0 c 154 211.0 1.3 - 4 e 409 283 etot -7.6483E+01 mv 2 24 116 -41 0 - 4 e 377 288 etot -6.9989E+01 mv 2 24 11 -14 0 - 4 e 696 265 etot -7.9740E+01 mv 2 24 73 -197 0 f 144 388.3 1.5 - 4 e 486 277 etot -6.7799E+01 mv 2 24 110 -124 0 - -1 e 1 323 etot 1.3528E+20 mv 1 24 170 -184 0 - 4 e 301 297 etot -5.2799E+01 mv 2 24 158 -196 0 - 4 e 539 274 etot -8.1471E+01 mv 2 24 167 -18 0 - 4 e 390 290 etot -7.9908E+01 mv 2 24 11 -169 0 - 4 e 240 305 etot -7.9506E+01 mv 1 24 12 -24 0 - -1 e 1 328 etot 1.3528E+20 mv 1 24 147 -19 0 - 4 e 325 300 etot -7.0738E+01 mv 2 24 158 -37 0 - 4 e 331 287 etot -6.7286E+01 mv 2 24 11 -34 0 - 4 e 277 304 etot -7.9507E+01 mv 1 24 12 -181 0 - 4 e 339 303 etot -6.7338E+01 mv 1 24 12 -177 0 - 4 e 186 316 etot -8.5648E+01 mv 1 24 140 -36 0 - 4 e 195 308 etot -6.9589E+01 mv 1 24 1 -159 0 - 4 e 286 311 etot -8.7522E+01 mv 1 24 101 -104 0 - 4 e 207 318 etot -6.6633E+01 mv 1 24 140 -113 0 - -1 e 1 337 etot 1.3528E+20 mv 1 24 98 -129 0 - 4 e 451 295 etot -8.4356E+01 mv 2 24 154 -156 0 c 162 310.2 0.2 - 4 e 309 307 etot -7.8112E+01 mv 1 24 1 -145 0 - 4 e 194 321 etot -8.2562E+01 mv 1 24 170 -74 0 c 170 2.1 0.0 - 4 e 277 312 etot -8.5069E+01 mv 1 24 101 -46 0 - -1 e 1 342 etot 1.3528E+20 mv 1 24 115 -141 0 - 4 e 216 319 etot -8.5320E+01 mv 1 24 140 -139 0 - 4 e 223 320 etot -8.5648E+01 mv 1 24 140 -40 0 - 4 e 143 330 etot -7.0245E+01 mv 1 24 147 -45 0 - 4 e 321 313 etot -8.6459E+01 mv 1 24 101 -73 0 - 4 e 655 264 etot -7.9485E+01 mv 2 24 73 -118 0 f 45 389.1 1.2 - 4 e 359 315 etot -8.8086E+01 mv 1 24 101 -165 0 c 101 57.7 0.6 - 4 e 587 294 etot -7.3389E+01 mv 2 24 154 -198 0 - 4 e 472 310 etot -8.7718E+01 mv 1 24 1 -113 0 - 4 e 338 324 etot -7.0930E+01 mv 1 24 170 -16 0 - 4 e 220 334 etot -8.5050E+01 mv 1 24 143 -101 0 - 4 e 615 302 etot -6.6607E+01 mv 1 24 12 -56 0 - 4 e 204 336 etot -8.6133E+01 mv 1 24 98 -161 0 c 98 2.2 0.0 - 4 e 317 329 etot -6.5212E+01 mv 1 24 147 -77 0 - 4 e 209 341 etot -8.4901E+01 mv 1 24 115 -130 0 c 115 1.2 0.0 - 4 e 226 331 etot -7.1465E+01 mv 1 24 143 -101 0 - -1 e 1 358 etot 1.3528E+20 mv 1 24 39 -16 0 - 4 e 201 347 etot -6.9396E+01 mv 1 24 152 -25 0 - 4 e 453 322 etot -6.6347E+01 mv 1 24 170 -132 0 - 4 e 246 346 etot -8.3767E+01 mv 1 24 152 -89 0 - 4 e 447 327 etot -7.1814E+01 mv 1 24 147 -5 0 - 4 e 275 344 etot -8.4916E+01 mv 1 24 115 -45 0 c 115 32.6 0.0 - 4 e 517 296 etot -8.1290E+01 mv 2 24 158 -122 0 - -1 e 1 364 etot 1.3528E+20 mv 1 24 73 -120 0 - 4 e 222 335 etot -8.4946E+01 mv 1 24 143 -66 0 - 4 e 366 333 etot -8.4107E+01 mv 1 24 143 -195 0 - 4 e 302 343 etot -7.9090E+01 mv 1 24 115 -106 0 - 4 e 500 325 etot -8.2107E+01 mv 1 24 170 -128 0 - 4 e 687 278 etot -8.2294E+01 mv 2 24 110 -132 0 f 171 398.9 4.0 - 4 e 463 309 etot -8.7719E+01 mv 1 24 1 -159 0 c 1 1.5 0.0 - 4 e 357 345 etot -8.4901E+01 mv 1 24 115 -58 0 - 4 e 242 351 etot -8.1001E+01 mv 1 24 5 -131 0 - 4 e 589 326 etot -7.5333E+01 mv 1 24 147 -126 0 - 4 e 467 338 etot -6.9951E+01 mv 1 24 98 -191 0 - 4 e 370 349 etot -8.4797E+01 mv 1 24 152 -171 0 - 4 e 501 339 etot -8.3631E+01 mv 1 24 98 -141 0 - 4 e 209 363 etot -5.4748E+01 mv 1 24 73 -151 0 - 4 e 589 332 etot -7.4596E+01 mv 1 24 143 -30 0 - 4 e 336 352 etot -8.1016E+01 mv 1 24 5 -150 0 - 4 e 579 306 etot -8.7718E+01 mv 1 24 1 -5 0 - 4 e 412 350 etot -8.2321E+01 mv 1 24 152 -105 0 - 4 e 345 356 etot -8.2129E+01 mv 1 24 39 -23 0 - 4 e 160 374 etot -8.1472E+01 mv 1 24 167 -30 0 c 167 2.0 0.0 - 4 e 541 317 etot -7.6450E+01 mv 1 24 140 -19 0 - 4 e 291 360 etot -8.1938E+01 mv 1 24 39 -172 0 - -1 e 1 387 etot 1.3528E+20 mv 1 24 11 -30 0 - 4 e 142 371 etot -8.1472E+01 mv 1 24 167 -170 0 - 4 e 338 348 etot -8.4898E+01 mv 1 24 152 -9 0 - 4 e 268 368 etot -6.6479E+01 mv 1 24 102 -22 0 - 4 e 327 361 etot -8.2052E+01 mv 1 24 73 -132 0 - 4 e 441 353 etot -6.9758E+01 mv 1 24 5 -170 0 - 4 e 271 370 etot -8.1537E+01 mv 1 24 102 -82 0 - 4 e 211 375 etot -7.9880E+01 mv 1 24 167 -163 0 - 4 e 318 369 etot -7.2813E+01 mv 1 24 102 -40 0 - 4 e 263 373 etot -8.0803E+01 mv 1 24 167 -17 0 - 4 e 336 366 etot -8.0467E+01 mv 1 24 102 -176 0 - -1 e 1 397 etot 1.3528E+20 mv 1 24 158 -36 0 - 4 e 670 340 etot -7.5432E+01 mv 1 24 98 -88 0 - -1 e 1 399 etot 1.3528E+20 mv 1 24 158 -182 0 - 4 e 156 381 etot -8.2371E+01 mv 1 24 116 -105 0 - 4 e 493 354 etot -8.2475E+01 mv 1 24 5 -179 0 c 5 14.5 0.0 - 4 e 427 362 etot -6.4827E+01 mv 1 24 73 -157 0 - 4 e 254 376 etot -8.0608E+01 mv 1 24 110 -155 0 - 4 e 227 380 etot -8.2039E+01 mv 1 24 110 -30 0 - 4 e 534 355 etot -8.2450E+01 mv 1 24 5 -185 0 - 4 e 106 401 etot -7.9507E+01 mv 0 24 12 0 0 - 4 e 231 383 etot -8.2371E+01 mv 1 24 116 -121 0 - 4 e 306 379 etot -8.0608E+01 mv 1 24 110 -131 0 - 4 e 131 403 etot -8.7522E+01 mv 0 24 101 0 0 - 4 e 86 407 etot -8.5051E+01 mv 0 24 143 0 0 - 4 e 104 405 etot -8.2563E+01 mv 0 24 170 0 0 c 170 1.4 0.0 - 4 e 333 378 etot -8.0317E+01 mv 1 24 110 -49 0 - 4 e 102 406 etot -8.2787E+01 mv 0 24 147 0 0 c 147 0.6 0.0 - 4 e 628 357 etot -7.9841E+01 mv 1 24 39 -119 0 - 4 e 146 404 etot -8.5648E+01 mv 0 24 140 0 0 - 4 e 366 377 etot -7.4916E+01 mv 1 24 110 -96 0 - 4 e 116 408 etot -8.6134E+01 mv 0 24 98 0 0 c 98 0.4 0.0 - 4 e 292 391 etot -8.2022E+01 mv 1 24 154 -103 0 -## N0 total= 20 close= 11 far= 0 %acc 55.0 -## N1 total= 100 close= 10 far= 2 %acc 12.0 -## N2 total= 100 close= 11 far= 4 %acc 15.0 -## N3 total= 0 close= 0 far= 0 %acc 0.0 -## N4 total= 0 close= 0 far= 0 %acc 0.0 -## N5 total= 0 close= 0 far= 0 %acc 0.0 -## N6 total= 200 close= 29 far= 13 %acc 21.0 -## N7 total= 0 close= 0 far= 0 %acc 0.0 -## N8 total= 0 close= 0 far= 0 %acc 0.0 -## N9 total= 0 close= 0 far= 0 %acc 0.0 -##N10 total= 0 close= 0 far= 0 %acc 0.0 -##N11 total= 0 close= 0 far= 0 %acc 0.0 -##N12 total= 0 close= 0 far= 0 %acc 0.0 -##N13 total= 0 close= 0 far= 0 %acc 0.0 -##N14 total= 0 close= 0 far= 0 %acc 0.0 -##N15 total= 0 close= 0 far= 0 %acc 0.0 -##N16 total= 0 close= 0 far= 0 %acc 0.0 -##N17 total= 0 close= 0 far= 0 %acc 0.0 -##N18 total= 0 close= 0 far= 0 %acc 0.0 - Time for refresh 25 0.26 - make_var : nseed= 20 ntry= 420 - Time for make trial 26 0.05 -Nonsetup time 54.27 sec, Eval/s = 62608.18 -Time for iter 26 1.84 sec, Eval/s = 71665.84 - UPDATING 420 - 4 e 453 398 etot -7.7333E+01 mv 1 24 158 -187 0 - 4 e 426 402 etot -8.7719E+01 mv 0 24 1 0 0 c 1 1.3 0.0 - 4 e 103 416 etot -8.2040E+01 mv 0 24 110 0 0 c 110 1.6 0.0 - 4 e 422 396 etot -8.4108E+01 mv 1 24 158 -175 0 c 158 72.0 1.0 - 4 e 119 418 etot -8.1458E+01 mv 0 24 11 0 0 c 11 1.7 0.0 - 4 e 265 400 etot -8.1174E+01 mv 1 24 158 -5 0 - 4 e 117 413 etot -8.2032E+01 mv 0 24 73 0 0 - 4 e 502 393 etot -7.0055E+01 mv 1 24 154 -88 0 - 4 e 58 417 etot -8.2371E+01 mv 0 24 116 0 0 - 4 e 52 420 etot -8.1370E+01 mv 0 24 158 0 0 - 4 e 506 388 etot -6.6791E+01 mv 1 24 11 -57 0 - 4 e 333 385 etot -7.9265E+01 mv 1 24 116 -35 0 - 4 e 87 415 etot -8.1473E+01 mv 0 24 167 0 0 c 167 1.4 0.0 - 4 e 315 392 etot -8.2102E+01 mv 1 24 154 -65 0 - 4 e 77 412 etot -8.2130E+01 mv 0 24 39 0 0 c 39 0.4 0.0 - 4 e 276 394 etot -7.5984E+01 mv 1 24 154 -75 0 - 4 e 106 410 etot -8.5265E+01 mv 0 24 152 0 0 - 4 e 86 419 etot -8.2383E+01 mv 0 24 154 0 0 - 4 e 393 384 etot -7.8810E+01 mv 1 24 116 -32 0 f 146 454.6 0.5 - -1 e 1 10 etot 1.3528E+20 mv 6 25 6 171 0 - -1 e 1 11 etot 1.3528E+20 mv 6 25 1 63 0 - 4 e 95 414 etot -8.2017E+01 mv 0 24 102 0 0 c 102 1.0 0.0 - 4 e 114 409 etot -8.4901E+01 mv 0 24 115 0 0 - 4 e 139 411 etot -8.2453E+01 mv 0 24 5 0 0 - 4 e 299 395 etot -7.6770E+01 mv 1 24 154 -178 0 - -1 e 1 19 etot 1.3528E+20 mv 6 25 1 29 0 - 4 e 543 367 etot -5.9235E+01 mv 1 24 102 -145 0 - 4 e 223 386 etot -8.1602E+01 mv 1 24 11 -145 0 c 11 2.6 0.1 - 4 e 250 389 etot -6.3657E+01 mv 1 24 11 -13 0 - 4 e 369 382 etot -7.3741E+01 mv 1 24 116 -175 0 - 4 e 670 372 etot -7.8587E+01 mv 1 24 167 -170 0 - 4 e 561 359 etot -7.5211E+01 mv 1 24 39 -195 0 - 4 e 329 390 etot -8.1457E+01 mv 1 24 11 -89 0 - 4 e 438 365 etot -8.1526E+01 mv 1 24 73 -194 0 - -1 e 1 27 etot 1.3528E+20 mv 6 25 152 26 0 - -1 e 1 32 etot 1.3528E+20 mv 6 25 140 59 0 - -1 e 1 33 etot 1.3528E+20 mv 6 25 140 22 0 - 4 e 150 29 etot -6.4138E+01 mv 6 25 152 112 0 - 4 e 144 16 etot -8.6271E+01 mv 6 25 1 71 0 - 4 e 148 24 etot -8.2669E+01 mv 6 25 152 166 0 - 4 e 190 6 etot -8.0595E+01 mv 6 25 6 124 0 c 6 1.1 0.0 - 4 e 227 26 etot -7.2125E+01 mv 6 25 152 117 0 - 4 e 247 9 etot -7.9663E+01 mv 6 25 6 13 0 - 4 e 230 37 etot -8.4327E+01 mv 6 25 140 40 0 c 14 323.7 2.0 - -1 e 1 44 etot 1.3102E+22 mv 6 25 143 27 0 - 4 e 244 3 etot -7.8346E+01 mv 6 25 6 73 0 - 4 e 253 25 etot -7.3571E+01 mv 6 25 152 143 0 - 4 e 247 7 etot -8.6175E+01 mv 6 25 6 174 0 - 4 e 281 8 etot -7.3113E+01 mv 6 25 6 68 0 - 4 e 261 31 etot -7.6847E+01 mv 6 25 140 13 0 - 4 e 285 36 etot -8.4144E+01 mv 6 25 140 109 0 c 109 88.5 1.0 - 4 e 282 2 etot -7.7648E+01 mv 6 25 6 94 0 - 4 e 327 14 etot -8.6976E+01 mv 6 25 1 76 0 - 4 e 318 23 etot -8.5321E+01 mv 6 25 152 169 0 - 4 e 335 30 etot -8.8306E+01 mv 6 25 152 128 0 - 4 e 344 22 etot -7.1653E+01 mv 6 25 152 110 0 - 4 e 333 21 etot -7.6272E+01 mv 6 25 152 15 0 - 4 e 337 17 etot -8.2497E+01 mv 6 25 1 81 0 f 33 400.1 4.2 - 4 e 380 18 etot -7.6115E+01 mv 6 25 1 14 0 - 4 e 391 13 etot -7.4362E+01 mv 6 25 1 126 0 - 4 e 244 40 etot -8.4247E+01 mv 6 25 140 57 0 - 4 e 173 45 etot -8.5211E+01 mv 6 25 143 62 0 c 143 1.2 0.0 - -1 e 1 62 etot 1.3528E+20 mv 6 25 115 158 0 - 4 e 99 56 etot -8.2755E+01 mv 6 25 131 77 0 c 77 0.5 0.0 - 4 e 287 38 etot -8.5354E+01 mv 6 25 140 91 0 - 4 e 305 41 etot -8.3315E+01 mv 6 25 143 16 0 - 4 e 471 12 etot -7.7429E+01 mv 6 25 1 118 0 - 4 e 517 5 etot -8.1527E+01 mv 6 25 6 36 0 c 6 333.2 0.9 - -1 e 1 68 etot 1.3528E+20 mv 6 25 115 17 0 - 4 e 466 15 etot -7.4487E+01 mv 6 25 1 35 0 - 4 e 296 39 etot -8.5865E+01 mv 6 25 140 170 0 - 4 e 463 34 etot -7.9797E+01 mv 6 25 140 92 0 - 4 e 537 4 etot -7.4004E+01 mv 6 25 6 173 0 - 4 e 205 50 etot -7.5724E+01 mv 6 25 143 168 0 - 4 e 481 28 etot -8.9836E+01 mv 6 25 152 39 0 - 4 e 208 51 etot -7.1143E+01 mv 6 25 131 99 0 - 4 e 495 35 etot -7.7146E+01 mv 6 25 140 35 0 - 4 e 563 1 etot -8.0482E+01 mv 6 25 6 200 0 f 175 402.8 2.2 - 4 e 245 54 etot -8.5576E+01 mv 6 25 131 18 0 c 131 3.9 0.0 - 4 e 247 53 etot -8.2130E+01 mv 6 25 131 83 0 - 4 e 401 46 etot -8.2753E+01 mv 6 25 143 32 0 - 4 e 578 20 etot -8.2220E+01 mv 6 25 1 102 0 - 4 e 349 49 etot -8.5209E+01 mv 6 25 143 120 0 - 4 e 383 43 etot -8.5210E+01 mv 6 25 143 91 0 - 4 e 57 83 etot -8.4291E+01 mv 6 25 2 178 0 c 178 0.3 0.0 - 4 e 238 70 etot -8.4724E+01 mv 6 25 115 191 0 - 4 e 478 52 etot -7.6845E+01 mv 6 25 131 186 0 - 4 e 159 75 etot -7.3573E+01 mv 6 25 162 172 0 - 4 e 315 58 etot -8.0113E+01 mv 6 25 131 195 0 c 195 49.2 0.1 - -1 e 1 88 etot 1.3528E+20 mv 6 25 2 83 0 - 4 e 206 65 etot -8.3454E+01 mv 6 25 115 144 0 - 4 e 539 48 etot -7.9989E+01 mv 6 25 143 159 0 - 4 e 195 79 etot -8.4358E+01 mv 6 25 162 85 0 c 162 2.3 0.0 - 4 e 335 55 etot -8.1634E+01 mv 6 25 131 74 0 - 4 e 381 61 etot -8.3558E+01 mv 6 25 115 196 0 - 4 e 486 42 etot -7.9689E+01 mv 6 25 143 80 0 - 4 e 377 67 etot -8.3008E+01 mv 6 25 115 70 0 - -1 e 1 97 etot 1.2044E+43 mv 6 25 172 2 0 - 4 e 459 60 etot -8.2365E+01 mv 6 25 131 133 0 - 4 e 381 59 etot -8.3604E+01 mv 6 25 131 89 0 - 4 e 312 78 etot -7.8234E+01 mv 6 25 162 182 0 - 4 e 315 71 etot -7.0088E+01 mv 6 25 162 59 0 - 4 e 584 47 etot -8.3425E+01 mv 6 25 143 28 0 - 4 e 434 64 etot -7.8094E+01 mv 6 25 115 36 0 - -1 e 1 104 etot 1.5637E+23 mv 6 25 200 61 0 - 4 e 416 73 etot -7.4574E+01 mv 6 25 162 189 0 - 4 e 293 82 etot -8.4423E+01 mv 6 25 2 130 0 c 2 40.6 0.1 - 4 e 558 57 etot -8.2297E+01 mv 6 25 131 78 0 - 4 e 457 69 etot -8.0934E+01 mv 6 25 115 168 0 - -1 e 1 109 etot 1.3528E+20 mv 6 25 200 158 0 - 4 e 324 72 etot -8.4382E+01 mv 6 25 162 1 0 c 162 20.8 0.0 - 4 e 202 92 etot -8.3679E+01 mv 6 25 172 141 0 c 172 3.7 0.0 - 4 e 310 84 etot -8.4317E+01 mv 6 25 2 86 0 - 4 e 439 80 etot -8.2477E+01 mv 6 25 162 5 0 c 5 5.6 0.0 - 4 e 259 89 etot -7.8151E+01 mv 6 25 2 119 0 - 4 e 277 93 etot -8.2909E+01 mv 6 25 172 190 0 c 31 203.7 3.2 - 4 e 215 99 etot -8.3635E+01 mv 6 25 172 97 0 - 4 e 639 66 etot -8.2930E+01 mv 6 25 115 123 0 - 4 e 258 102 etot -7.4991E+01 mv 6 25 200 63 0 - -1 e 1 119 etot 1.3528E+20 mv 6 25 73 71 0 - 4 e 240 103 etot -8.0280E+01 mv 6 25 200 100 0 c 100 146.6 0.9 - -1 e 1 121 etot 1.3528E+20 mv 6 25 158 167 0 - 4 e 422 74 etot -8.4357E+01 mv 6 25 162 7 0 - 4 e 218 107 etot -7.6678E+01 mv 6 25 200 179 0 - 4 e 162 112 etot -6.9709E+01 mv 6 25 73 44 0 - 4 e 427 85 etot -7.0804E+01 mv 6 25 2 138 0 - 4 e 417 86 etot -8.3689E+01 mv 6 25 2 166 0 - 4 e 267 105 etot -8.4396E+01 mv 6 25 200 7 0 c 200 126.4 1.3 - 4 e 295 90 etot -8.4031E+01 mv 6 25 2 119 0 - 4 e 293 91 etot -7.9463E+01 mv 6 25 172 193 0 c 183 352.6 0.8 - 4 e 320 101 etot -7.6057E+01 mv 6 25 200 21 0 - 4 e 203 113 etot -8.4892E+01 mv 6 25 73 46 0 c 198 135.4 1.4 - 4 e 412 96 etot -7.6676E+01 mv 6 25 172 186 0 - 4 e 617 81 etot -8.5212E+01 mv 6 25 2 152 0 - 4 e 341 106 etot -6.9821E+01 mv 6 25 200 84 0 - 4 e 494 87 etot -8.3856E+01 mv 6 25 2 196 0 - 4 e 386 100 etot -8.2898E+01 mv 6 25 172 150 0 - 4 e 251 114 etot -8.2617E+01 mv 6 25 73 105 0 - -1 e 1 138 etot 1.3528E+20 mv 6 25 116 128 0 - 4 e 516 76 etot -8.1723E+01 mv 6 25 162 9 0 c 186 324.8 2.1 - 4 e 488 95 etot -7.8111E+01 mv 6 25 172 101 0 - 4 e 369 94 etot -6.8088E+01 mv 6 25 172 106 0 - 4 e 39 141 etot -8.2130E+01 mv 6 25 5 39 0 c 39 0.2 0.0 - 4 e 254 122 etot -7.9222E+01 mv 6 25 158 81 0 c 81 154.3 0.1 - 4 e 448 108 etot -7.9488E+01 mv 6 25 200 28 0 - 4 e 243 126 etot -6.4840E+01 mv 6 25 158 196 0 - 4 e 263 125 etot -7.4614E+01 mv 6 25 158 188 0 - 4 e 161 136 etot -7.7230E+01 mv 6 25 116 189 0 - -1 e 1 147 etot 1.3528E+20 mv 6 25 5 124 0 - 8 e 24 146 etot -6.3986E+01 mv 6 25 5 105 0 - 4 e 228 131 etot -8.2185E+01 mv 6 25 116 185 0 - 4 e 312 120 etot -6.3545E+01 mv 6 25 73 74 0 - 4 e 321 111 etot -7.7984E+01 mv 6 25 73 159 0 - 4 e 165 129 etot -8.3082E+01 mv 6 25 158 133 0 - 4 e 366 117 etot -8.4773E+01 mv 6 25 73 102 0 - 4 e 388 116 etot -8.3104E+01 mv 6 25 73 27 0 c 73 24.1 0.2 - 4 e 696 63 etot -9.2230E+01 mv 6 25 115 104 0 - 4 e 206 135 etot -8.1579E+01 mv 6 25 116 14 0 - -1 e 1 158 etot 1.3528E+20 mv 6 25 3 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200 -39 0 - 4 e 345 253 etot -6.2133E+01 mv 2 25 200 -110 0 - -1 e 1 279 etot 1.3528E+20 mv 2 25 3 -92 0 - 4 e 410 245 etot -8.3087E+01 mv 2 25 2 -199 0 - 4 e 299 246 etot -6.6697E+01 mv 2 25 172 -123 0 - 4 e 437 247 etot -6.6752E+01 mv 2 25 172 -198 0 - -1 e 1 283 etot 1.3528E+20 mv 2 25 149 -43 0 - 4 e 500 239 etot -8.2664E+01 mv 2 25 162 -26 0 - 4 e 231 259 etot -6.8627E+01 mv 2 25 73 -126 0 - 4 e 460 249 etot -6.9956E+01 mv 2 25 172 -9 0 - 4 e 621 234 etot -7.6093E+01 mv 2 25 115 -114 0 - 4 e 299 264 etot -7.7861E+01 mv 2 25 158 -144 0 - 4 e 265 261 etot -8.3101E+01 mv 2 25 158 -118 0 - 4 e 315 255 etot -7.7045E+01 mv 2 25 200 -24 0 - 4 e 667 231 etot -8.1786E+01 mv 2 25 115 -196 0 - -1 e 1 292 etot 1.3528E+20 mv 2 25 157 -37 0 - 4 e 496 254 etot -6.9949E+01 mv 2 25 200 -173 0 - 4 e 236 273 etot -7.6764E+01 mv 2 25 5 -1 0 - 4 e 179 270 etot -7.9179E+01 mv 2 25 116 -126 0 - 4 e 615 243 etot -7.4959E+01 mv 2 25 2 -142 0 - 4 e 566 250 etot -8.3344E+01 mv 2 25 172 -92 0 - 4 e 415 263 etot -7.1251E+01 mv 2 25 158 -74 0 - 4 e 372 256 etot -8.0028E+01 mv 2 25 73 -75 0 - 4 e 347 268 etot -8.5473E+01 mv 2 25 116 -73 0 - 4 e 556 257 etot -6.9500E+01 mv 2 25 73 -163 0 - 4 e 330 271 etot -7.8687E+01 mv 2 25 5 -53 0 - 4 e 415 267 etot -7.3839E+01 mv 2 25 116 -136 0 - -1 e 1 304 etot 1.3528E+20 mv 1 25 6 -8 0 - 4 e 342 276 etot -7.5367E+01 mv 2 25 3 -117 0 - 4 e 370 275 etot -7.2936E+01 mv 2 25 5 -54 0 - 4 e 365 277 etot -7.3137E+01 mv 2 25 3 -43 0 - 4 e 207 286 etot -8.2357E+01 mv 2 25 14 -3 0 - 4 e 353 284 etot -6.5315E+01 mv 2 25 149 -57 0 - 4 e 403 281 etot -7.6048E+01 mv 2 25 149 -131 0 - 4 e 177 301 etot -8.0595E+01 mv 1 25 6 -31 0 - 4 e 362 285 etot -8.0500E+01 mv 2 25 149 -75 0 - 4 e 263 293 etot -5.8518E+01 mv 2 25 157 -7 0 - 4 e 583 269 etot -7.0677E+01 mv 2 25 116 -115 0 - -1 e 1 315 etot 1.3528E+20 mv 1 25 152 -55 0 - 4 e 596 266 etot -7.6892E+01 mv 2 25 116 -73 0 - -1 e 1 317 etot 1.3528E+20 mv 1 25 140 -118 0 - -1 e 1 318 etot 1.3528E+20 mv 1 25 140 -71 0 - 4 e 281 299 etot -7.9300E+01 mv 2 25 171 -51 0 - 4 e 431 287 etot -6.3463E+01 mv 2 25 14 -124 0 - 4 e 264 290 etot -8.2357E+01 mv 2 25 14 -16 0 - 4 e 231 306 etot -8.7719E+01 mv 1 25 1 -19 0 c 1 1.5 0.0 - -1 e 1 323 etot 1.3528E+20 mv 1 25 143 -23 0 - 4 e 266 296 etot -8.0838E+01 mv 2 25 171 -26 0 - 4 e 322 302 etot -8.0534E+01 mv 1 25 6 -36 0 - 4 e 432 295 etot -7.4189E+01 mv 2 25 157 -160 0 - 4 e 445 278 etot -6.8063E+01 mv 2 25 3 -65 0 - 4 e 670 274 etot -6.5946E+01 mv 2 25 5 -140 0 - -1 e 1 328 etot 1.3528E+20 mv 1 25 131 -69 0 - 4 e 439 282 etot -7.0496E+01 mv 2 25 149 -198 0 - 4 e 331 291 etot -8.2964E+01 mv 2 25 157 -189 0 c 157 4.7 0.0 - 4 e 275 310 etot -8.6271E+01 mv 1 25 1 -93 0 - 4 e 480 294 etot -7.2233E+01 mv 2 25 157 -28 0 - 4 e 365 305 etot -7.4304E+01 mv 1 25 6 -125 0 - 4 e 538 288 etot -7.7287E+01 mv 2 25 14 -37 0 - 4 e 654 280 etot -7.6934E+01 mv 2 25 3 -53 0 - 4 e 462 298 etot -8.1979E+01 mv 2 25 171 -130 0 - 4 e 459 303 etot -7.4549E+01 mv 1 25 6 -101 0 - 4 e 599 265 etot -7.9005E+01 mv 2 25 158 -77 0 - 4 e 248 319 etot -8.4973E+01 mv 1 25 140 -27 0 - 4 e 345 300 etot -8.2295E+01 mv 2 25 171 -73 0 - 4 e 536 297 etot -6.2511E+01 mv 2 25 171 -196 0 - 4 e 423 307 etot -6.6119E+01 mv 1 25 1 -128 0 - 4 e 254 321 etot -8.5211E+01 mv 1 25 143 -79 0 - 4 e 198 333 etot -8.4917E+01 mv 1 25 115 -125 0 c 115 1.4 0.0 - 4 e 349 320 etot -7.8238E+01 mv 1 25 140 -15 0 - 4 e 760 289 etot -8.0563E+01 mv 2 25 14 -197 0 - 4 e 180 339 etot -4.8530E+01 mv 1 25 162 -199 0 - 4 e 504 311 etot -8.6315E+01 mv 1 25 152 -103 0 c 152 192.1 0.5 - 4 e 391 309 etot -7.7993E+01 mv 1 25 1 -102 0 - 4 e 212 331 etot -7.1087E+01 mv 1 25 115 -121 0 - 4 e 529 313 etot -7.2878E+01 mv 1 25 152 -64 0 - -1 e 1 353 etot 1.3528E+20 mv 1 25 200 -89 0 - 4 e 485 316 etot -7.2338E+01 mv 1 25 140 -162 0 - 4 e 622 308 etot -8.2772E+01 mv 1 25 1 -164 0 c 195 226.1 2.7 - 4 e 362 329 etot -8.5574E+01 mv 1 25 131 -4 0 - 4 e 318 337 etot -8.2890E+01 mv 1 25 162 -123 0 - 4 e 395 327 etot -7.8097E+01 mv 1 25 131 -4 0 - 4 e 571 314 etot -8.6110E+01 mv 1 25 152 -73 0 - -1 e 1 360 etot 1.3528E+20 mv 1 25 73 -26 0 - 4 e 609 312 etot -8.1320E+01 mv 1 25 152 -137 0 - -1 e 1 362 etot 1.3528E+20 mv 1 25 158 -109 0 - 4 e 248 345 etot -8.4318E+01 mv 1 25 2 -136 0 - 4 e 355 338 etot -7.5024E+01 mv 1 25 162 -32 0 - 4 e 418 334 etot -8.3618E+01 mv 1 25 115 -23 0 - 4 e 236 340 etot -8.4382E+01 mv 1 25 162 -153 0 - 4 e 460 336 etot -8.4356E+01 mv 1 25 162 -30 0 - 4 e 463 335 etot -8.4915E+01 mv 1 25 115 -116 0 - 4 e 286 346 etot -7.9960E+01 mv 1 25 172 -84 0 - 4 e 387 341 etot -8.4316E+01 mv 1 25 2 -56 0 - 4 e 181 356 etot -8.2914E+01 mv 1 25 73 -177 0 - 4 e 408 325 etot -7.8854E+01 mv 1 25 143 -113 0 - 4 e 356 347 etot -6.8248E+01 mv 1 25 172 -49 0 - 4 e 381 332 etot -7.8506E+01 mv 1 25 115 -91 0 - -1 e 1 375 etot 1.3528E+20 mv 1 25 5 -42 0 - 4 e 684 326 etot -8.3902E+01 mv 1 25 131 -157 0 c 62 273.2 0.0 - 4 e 714 324 etot -7.8429E+01 mv 1 25 143 -170 0 - 4 e 508 322 etot -7.9769E+01 mv 1 25 143 -182 0 - 4 e 382 348 etot -7.5379E+01 mv 1 25 172 -10 0 - 4 e 350 350 etot -8.2909E+01 mv 1 25 172 -68 0 - 4 e 355 349 etot -6.8214E+01 mv 1 25 172 -69 0 - 4 e 241 351 etot -8.2764E+01 mv 1 25 200 -184 0 - -1 e 1 383 etot 1.3528E+20 mv 1 25 149 -140 0 - 4 e 478 330 etot -7.3539E+01 mv 1 25 131 -60 0 - 4 e 323 357 etot -8.1525E+01 mv 1 25 73 -183 0 - 4 e 323 359 etot -6.8808E+01 mv 1 25 73 -192 0 - 4 e 392 354 etot -7.7573E+01 mv 1 25 200 -178 0 - 4 e 208 369 etot -8.2518E+01 mv 1 25 116 -152 0 - 4 e 310 363 etot -6.1542E+01 mv 1 25 158 -94 0 - 4 e 341 361 etot -8.3101E+01 mv 1 25 158 -180 0 - 4 e 126 377 etot -6.1628E+01 mv 1 25 3 -79 0 - 4 e 289 366 etot -8.2515E+01 mv 1 25 116 -39 0 - 4 e 332 364 etot -7.8014E+01 mv 1 25 158 -140 0 - 4 e 460 342 etot -7.4746E+01 mv 1 25 2 -38 0 - 4 e 654 343 etot -7.7095E+01 mv 1 25 2 -126 0 - 4 e 294 368 etot -8.1167E+01 mv 1 25 116 -55 0 - 4 e 496 355 etot -7.1580E+01 mv 1 25 200 -140 0 - 4 e 264 374 etot -8.2502E+01 mv 1 25 5 -172 0 c 5 37.5 0.0 - 4 e 706 344 etot -7.7771E+01 mv 1 25 2 -99 0 - 4 e 518 358 etot -7.4732E+01 mv 1 25 73 -57 0 - 4 e 71 401 etot -8.0595E+01 mv 0 25 6 0 0 - 4 e 317 381 etot -8.2343E+01 mv 1 25 149 -35 0 - 4 e 201 385 etot -8.2363E+01 mv 1 25 149 -148 0 c 149 1.7 0.0 - 4 e 339 380 etot -8.3154E+01 mv 1 25 3 -54 0 - 4 e 285 376 etot -8.2616E+01 mv 1 25 3 -145 0 - 4 e 327 373 etot -7.0126E+01 mv 1 25 5 -4 0 - 4 e 272 390 etot -7.6202E+01 mv 1 25 14 -190 0 - 4 e 354 382 etot -6.0833E+01 mv 1 25 149 -113 0 - 4 e 304 386 etot -7.6924E+01 mv 1 25 14 -98 0 - 4 e 554 365 etot -6.7081E+01 mv 1 25 158 -47 0 - 4 e 482 352 etot -7.9891E+01 mv 1 25 200 -1 0 - 4 e 300 388 etot -7.8820E+01 mv 1 25 14 -175 0 f 47 429.1 0.3 - 4 e 540 371 etot -7.2934E+01 mv 1 25 5 -27 0 - 4 e 440 378 etot -7.9317E+01 mv 1 25 3 -63 0 - 4 e 94 405 etot -8.5211E+01 mv 0 25 143 0 0 c 143 0.7 0.0 - 4 e 388 387 etot -6.7052E+01 mv 1 25 14 -58 0 - 4 e 301 396 etot -8.0237E+01 mv 1 25 171 -9 0 - 4 e 367 391 etot -8.2963E+01 mv 1 25 157 -186 0 - 4 e 150 402 etot -8.7720E+01 mv 0 25 1 0 0 c 1 0.4 0.0 -## N0 total= 16 close= 8 far= 0 %acc 50.0 -## N1 total= 104 close= 9 far= 2 %acc 10.6 -## N2 total= 100 close= 2 far= 0 %acc 2.0 -## N3 total= 0 close= 0 far= 0 %acc 0.0 -## N4 total= 0 close= 0 far= 0 %acc 0.0 -## N5 total= 0 close= 0 far= 0 %acc 0.0 -## N6 total= 200 close= 36 far= 7 %acc 21.5 -## N7 total= 0 close= 0 far= 0 %acc 0.0 -## N8 total= 0 close= 0 far= 0 %acc 0.0 -## N9 total= 0 close= 0 far= 0 %acc 0.0 -##N10 total= 0 close= 0 far= 0 %acc 0.0 -##N11 total= 0 close= 0 far= 0 %acc 0.0 -##N12 total= 0 close= 0 far= 0 %acc 0.0 -##N13 total= 0 close= 0 far= 0 %acc 0.0 -##N14 total= 0 close= 0 far= 0 %acc 0.0 -##N15 total= 0 close= 0 far= 0 %acc 0.0 -##N16 total= 0 close= 0 far= 0 %acc 0.0 -##N17 total= 0 close= 0 far= 0 %acc 0.0 -##N18 total= 0 close= 0 far= 0 %acc 0.0 - Time for refresh 26 0.27 - make_var : nseed= 20 ntry= 420 - Time for make trial 27 0.09 -Nonsetup time 56.14 sec, Eval/s = 62811.14 -Time for iter 27 1.88 sec, Eval/s = 68672.93 - UPDATING 420 - 4 e 181 411 etot -8.3102E+01 mv 0 25 200 0 0 - 4 e 98 410 etot -8.3679E+01 mv 0 25 172 0 0 c 172 2.8 0.0 - 4 e 410 392 etot -7.4045E+01 mv 1 25 157 -74 0 - 4 e 261 414 etot -8.2518E+01 mv 0 25 116 0 0 - 4 e 158 413 etot -8.3082E+01 mv 0 25 158 0 0 - 4 e 462 393 etot -7.3892E+01 mv 1 25 157 -48 0 - 4 e 147 409 etot -8.4318E+01 mv 0 25 2 0 0 - 4 e 524 389 etot -7.9069E+01 mv 1 25 14 -105 0 f 17 364.4 0.5 - 4 e 145 403 etot -8.5861E+01 mv 0 25 152 0 0 - 4 e 125 417 etot -8.2363E+01 mv 0 25 149 0 0 c 149 1.1 0.0 - 4 e 307 400 etot -6.8037E+01 mv 1 25 171 -120 0 - 4 e 614 397 etot -7.7550E+01 mv 1 25 171 -40 0 - 4 e 97 418 etot -8.2357E+01 mv 0 25 14 0 0 c 47 211.2 3.5 - 4 e 450 398 etot -8.0747E+01 mv 1 25 171 -56 0 - 4 e 595 372 etot -8.1341E+01 mv 1 25 5 -157 0 - 4 e 125 416 etot -8.2433E+01 mv 0 25 3 0 0 - 4 e 197 419 etot -8.2964E+01 mv 0 25 157 0 0 c 157 2.4 0.0 - 4 e 420 399 etot -7.6180E+01 mv 1 25 171 -170 0 - 4 e 643 370 etot -7.9864E+01 mv 1 25 116 -151 0 - 4 e 201 415 etot -8.2478E+01 mv 0 25 5 0 0 - 4 e 124 420 etot -8.2296E+01 mv 0 25 171 0 0 c 171 1.1 0.0 - 4 e 128 408 etot -8.4358E+01 mv 0 25 162 0 0 - 4 e 554 394 etot -8.3382E+01 mv 1 25 157 -84 0 c 157 81.3 0.4 - 4 e 285 395 etot -7.1130E+01 mv 1 25 157 -73 0 - 4 e 110 412 etot -8.2914E+01 mv 0 25 73 0 0 - 4 e 316 379 etot -8.2407E+01 mv 1 25 3 -96 0 - 4 e 573 367 etot -8.0634E+01 mv 1 25 116 -96 0 - 4 e 530 384 etot -7.6990E+01 mv 1 25 149 -78 0 - 4 e 93 407 etot -8.4917E+01 mv 0 25 115 0 0 c 115 0.6 0.0 - 4 e 141 406 etot -8.5576E+01 mv 0 25 131 0 0 c 131 2.9 0.0 - 4 e 125 404 etot -8.5890E+01 mv 0 25 140 0 0 c 140 1.3 0.0 - -1 e 1 24 etot 1.3528E+20 mv 6 26 2 100 0 - 4 e 148 6 etot -7.4781E+01 mv 6 26 44 2 0 - 4 e 155 30 etot -8.2911E+01 mv 6 26 2 169 0 c 169 1.5 0.0 - 4 e 171 26 etot -6.3206E+01 mv 6 26 2 103 0 - 4 e 191 18 etot -6.3937E+01 mv 6 26 35 165 0 - 4 e 196 8 etot -7.4273E+01 mv 6 26 44 127 0 - 4 e 207 10 etot -6.1324E+01 mv 6 26 44 54 0 - -1 e 1 38 etot 1.3528E+20 mv 6 26 200 94 0 - 4 e 229 17 etot -7.2231E+01 mv 6 26 35 140 0 - 4 e 225 23 etot -8.4918E+01 mv 6 26 2 5 0 c 2 151.1 0.5 - 8 e 32 37 etot -6.3986E+01 mv 6 26 200 108 0 - 4 e 301 7 etot -8.5718E+01 mv 6 26 44 112 0 c 112 3.2 0.0 - 4 e 260 3 etot -7.9770E+01 mv 6 26 44 79 0 c 50 149.0 0.2 - 4 e 301 27 etot -8.4317E+01 mv 6 26 2 6 0 - 4 e 315 9 etot -8.5478E+01 mv 6 26 44 70 0 c 70 53.4 0.2 - 4 e 322 32 etot -6.9981E+01 mv 6 26 200 173 0 - -1 e 1 47 etot 1.3528E+20 mv 6 26 158 148 0 - 4 e 309 16 etot -8.6000E+01 mv 6 26 35 126 0 - 4 e 319 14 etot -8.1085E+01 mv 6 26 35 15 0 c 76 251.7 0.1 - 4 e 345 19 etot -8.2932E+01 mv 6 26 35 67 0 - 4 e 347 13 etot -8.3552E+01 mv 6 26 35 130 0 - 4 e 376 28 etot -8.3117E+01 mv 6 26 2 33 0 - 4 e 397 2 etot -8.3086E+01 mv 6 26 44 2 0 - 4 e 366 33 etot -7.3163E+01 mv 6 26 200 34 0 - 4 e 419 20 etot -8.4418E+01 mv 6 26 35 99 0 - 4 e 420 22 etot -7.5615E+01 mv 6 26 2 178 0 - 4 e 394 11 etot -7.8004E+01 mv 6 26 35 122 0 - 4 e 431 1 etot -8.0795E+01 mv 6 26 44 137 0 - 4 e 181 46 etot -7.5541E+01 mv 6 26 158 24 0 - 4 e 639 5 etot -7.9608E+01 mv 6 26 44 32 0 - 4 e 637 4 etot -8.5684E+01 mv 6 26 44 11 0 - 4 e 552 31 etot -7.8448E+01 mv 6 26 200 37 0 - 4 e 540 12 etot -8.3697E+01 mv 6 26 35 52 0 - 4 e 277 49 etot -8.2888E+01 mv 6 26 158 103 0 - -1 e 1 65 etot 1.3528E+20 mv 6 26 112 158 0 - 4 e 398 34 etot -7.9471E+01 mv 6 26 200 81 0 - -1 e 1 67 etot 1.3528E+20 mv 6 26 112 191 0 - 4 e 277 44 etot -7.4184E+01 mv 6 26 158 3 0 - 4 e 560 29 etot -8.2355E+01 mv 6 26 2 107 0 - 4 e 445 43 etot -8.0992E+01 mv 6 26 158 20 0 - 4 e 252 48 etot -8.4889E+01 mv 6 26 158 82 0 - 4 e 490 40 etot -8.3850E+01 mv 6 26 200 188 0 f 105 379.1 5.3 - 4 e 442 35 etot -8.2760E+01 mv 6 26 200 90 0 - 4 e 626 21 etot -7.7493E+01 mv 6 26 2 132 0 - 4 e 614 25 etot -7.9625E+01 mv 6 26 2 122 0 f 68 470.8 1.1 - 4 e 396 51 etot -8.3161E+01 mv 6 26 117 126 0 - 4 e 578 36 etot -8.5547E+01 mv 6 26 200 34 0 c 200 150.6 1.2 - 4 e 656 15 etot -8.3695E+01 mv 6 26 35 62 0 - 4 e 277 54 etot -7.5534E+01 mv 6 26 117 69 0 - -1 e 1 80 etot 1.3528E+20 mv 6 26 31 54 0 - -1 e 1 81 etot 1.3528E+20 mv 6 26 169 132 0 - 4 e 239 61 etot -6.6040E+01 mv 6 26 112 145 0 - 4 e 286 53 etot -8.8304E+01 mv 6 26 117 173 0 c 117 56.0 0.8 - 4 e 365 45 etot -7.2992E+01 mv 6 26 158 111 0 - 4 e 370 50 etot -7.8809E+01 mv 6 26 158 157 0 f 69 479.8 0.2 - 4 e 39 83 etot -7.9358E+01 mv 6 26 169 46 0 c 46 0.1 0.0 - -1 e 1 87 etot 1.3528E+20 mv 6 26 169 55 0 - 4 e 440 42 etot -9.1866E+01 mv 6 26 158 104 0 - 4 e 277 57 etot -8.1610E+01 mv 6 26 117 180 0 - 4 e 288 62 etot -7.7155E+01 mv 6 26 112 9 0 - 4 e 437 55 etot -8.0815E+01 mv 6 26 117 194 0 - 4 e 398 52 etot -7.9274E+01 mv 6 26 117 10 0 f 137 355.4 0.6 - -1 e 1 93 etot 6.3726E+21 mv 6 26 94 136 0 - 4 e 523 39 etot -7.8910E+01 mv 6 26 200 59 0 - 4 e 508 41 etot -8.1074E+01 mv 6 26 158 10 0 - 4 e 354 56 etot -8.5130E+01 mv 6 26 117 9 0 - 4 e 176 79 etot -8.1317E+01 mv 6 26 31 64 0 - 4 e 339 60 etot -8.8257E+01 mv 6 26 117 172 0 - 4 e 450 59 etot -8.1120E+01 mv 6 26 117 144 0 - 4 e 348 71 etot -7.6066E+01 mv 6 26 31 4 0 - -1 e 1 101 etot 1.3528E+20 mv 6 26 195 54 0 - 4 e 394 64 etot -8.5717E+01 mv 6 26 112 65 0 - 4 e 197 88 etot -8.5322E+01 mv 6 26 169 168 0 - 4 e 224 72 etot -7.9386E+01 mv 6 26 31 120 0 - 4 e 223 86 etot -8.2911E+01 mv 6 26 169 48 0 - 4 e 407 69 etot -8.2946E+01 mv 6 26 112 116 0 - 4 e 163 85 etot -7.2479E+01 mv 6 26 169 120 0 - 4 e 359 73 etot -7.9988E+01 mv 6 26 31 5 0 - 4 e 321 78 etot -7.8820E+01 mv 6 26 31 100 0 - 4 e 246 92 etot -8.1345E+01 mv 6 26 94 63 0 - 4 e 339 77 etot -7.7863E+01 mv 6 26 31 100 0 - 4 e 197 96 etot -8.0425E+01 mv 6 26 94 20 0 - 4 e 226 76 etot -8.5289E+01 mv 6 26 31 70 0 - 4 e 509 58 etot -8.8393E+01 mv 6 26 117 199 0 c 117 160.1 0.1 - 4 e 275 91 etot -8.2959E+01 mv 6 26 94 61 0 c 94 2.6 0.0 - 4 e 296 89 etot -8.3153E+01 mv 6 26 169 71 0 - 4 e 358 70 etot -8.5718E+01 mv 6 26 112 177 0 - 4 e 347 90 etot -7.6402E+01 mv 6 26 169 80 0 - 4 e 410 63 etot -7.4888E+01 mv 6 26 112 183 0 - 4 e 318 95 etot -7.5637E+01 mv 6 26 94 47 0 - -1 e 1 121 etot 7.2084E+22 mv 6 26 130 170 0 - 4 e 231 102 etot -7.0725E+01 mv 6 26 195 126 0 - 4 e 437 68 etot -7.4787E+01 mv 6 26 112 52 0 - 4 e 400 94 etot -8.1294E+01 mv 6 26 94 2 0 - 4 e 291 100 etot -7.7194E+01 mv 6 26 94 74 0 - 4 e 203 113 etot -7.6175E+01 mv 6 26 126 128 0 - 4 e 345 98 etot -8.2477E+01 mv 6 26 94 5 0 - 4 e 545 75 etot -7.9770E+01 mv 6 26 31 158 0 - 4 e 177 116 etot -6.7848E+01 mv 6 26 126 9 0 - 4 e 270 106 etot -8.1080E+01 mv 6 26 195 173 0 - 4 e 531 82 etot -8.0718E+01 mv 6 26 169 65 0 f 125 541.0 2.1 - 4 e 221 115 etot -8.1208E+01 mv 6 26 126 141 0 - 4 e 259 110 etot -6.5324E+01 mv 6 26 195 122 0 - 4 e 746 66 etot -7.9068E+01 mv 6 26 112 86 0 f 38 401.0 0.3 - 4 e 445 97 etot -7.2967E+01 mv 6 26 94 6 0 - 4 e 390 99 etot -8.2958E+01 mv 6 26 94 54 0 - 4 e 386 84 etot -8.2909E+01 mv 6 26 169 146 0 - 4 e 312 109 etot -8.2425E+01 mv 6 26 195 6 0 - 4 e 333 111 etot -7.3874E+01 mv 6 26 126 174 0 - 4 e 402 103 etot -7.4600E+01 mv 6 26 195 49 0 - 4 e 257 119 etot -7.1639E+01 mv 6 26 126 59 0 - 4 e 162 120 etot -7.9288E+01 mv 6 26 126 20 0 - 4 e 392 107 etot -8.1367E+01 mv 6 26 195 110 0 - 4 e 231 122 etot -7.5101E+01 mv 6 26 130 147 0 - 4 e 238 108 etot -7.4128E+01 mv 6 26 195 16 0 - 4 e 415 104 etot -8.2767E+01 mv 6 26 195 148 0 - 4 e 162 130 etot -8.2019E+01 mv 6 26 130 132 0 c 130 4.2 0.0 - 4 e 176 128 etot -8.2203E+01 mv 6 26 130 91 0 c 130 69.2 0.2 - 4 e 145 135 etot -8.0832E+01 mv 6 26 40 9 0 - 4 e 213 126 etot -8.2019E+01 mv 6 26 130 53 0 - 4 e 178 137 etot -8.0402E+01 mv 6 26 40 128 0 - 4 e 534 74 etot -6.4816E+01 mv 6 26 31 103 0 - 4 e 449 117 etot -7.3914E+01 mv 6 26 126 83 0 - 4 e 299 127 etot -8.1302E+01 mv 6 26 130 108 0 - 4 e 320 118 etot -7.7772E+01 mv 6 26 126 37 0 - 4 e 171 144 etot -8.4327E+01 mv 6 26 14 128 0 c 14 0.9 0.0 - 4 e 308 129 etot -7.8881E+01 mv 6 26 130 90 0 - 4 e 552 112 etot -7.6277E+01 mv 6 26 126 139 0 - 4 e 339 125 etot -8.3148E+01 mv 6 26 130 65 0 c 130 251.0 0.9 - 4 e 304 132 etot -7.4167E+01 mv 6 26 40 46 0 - 4 e 269 124 etot -8.2019E+01 mv 6 26 130 137 0 - 4 e 294 139 etot -8.2033E+01 mv 6 26 40 140 0 - 4 e 259 142 etot -6.3393E+01 mv 6 26 14 31 0 - 4 e 380 133 etot -8.1704E+01 mv 6 26 40 177 0 c 40 3.0 0.0 - 4 e 262 145 etot -7.9512E+01 mv 6 26 14 180 0 - 4 e 381 134 etot -8.0036E+01 mv 6 26 40 44 0 - 4 e 352 141 etot -7.9179E+01 mv 6 26 14 99 0 - 4 e 469 131 etot -7.8669E+01 mv 6 26 40 195 0 - 4 e 365 140 etot -7.8494E+01 mv 6 26 40 80 0 - 4 e 237 143 etot -7.9977E+01 mv 6 26 14 106 0 f 189 360.7 1.2 - 4 e 157 159 etot -8.2705E+01 mv 6 26 11 145 0 - 4 e 432 114 etot -7.5676E+01 mv 6 26 126 112 0 - -1 e 1 173 etot 1.3528E+20 mv 6 26 156 75 0 - 4 e 221 154 etot -8.0577E+01 mv 6 26 11 75 0 - 4 e 569 123 etot -8.3066E+01 mv 6 26 130 32 0 f 69 436.4 4.3 - 4 e 318 150 etot -8.0373E+01 mv 6 26 14 71 0 - -1 e 1 176 etot 8.6021E+22 mv 6 26 156 57 0 - 4 e 364 147 etot -8.8085E+01 mv 6 26 14 101 0 - -1 e 1 179 etot 1.3528E+20 mv 6 26 156 58 0 - 4 e 282 152 etot -8.1442E+01 mv 6 26 11 44 0 - 4 e 348 148 etot -8.4326E+01 mv 6 26 14 10 0 - 4 e 353 149 etot -8.1298E+01 mv 6 26 14 43 0 - -1 e 1 183 etot 1.3528E+20 mv 6 26 6 92 0 - 4 e 141 162 etot -6.4250E+01 mv 6 26 3 70 0 - 4 e 182 163 etot -8.4618E+01 mv 6 26 3 7 0 - 4 e 221 161 etot -8.4913E+01 mv 6 26 3 84 0 c 3 1.1 0.0 - -1 e 1 186 etot 1.3528E+20 mv 6 26 6 104 0 - -1 e 1 187 etot 1.3528E+20 mv 6 26 6 136 0 - 4 e 509 136 etot -8.1231E+01 mv 6 26 40 32 0 f 146 453.2 2.4 - 4 e 166 167 etot -7.9859E+01 mv 6 26 3 71 0 - 4 e 269 158 etot -7.9089E+01 mv 6 26 11 148 0 - 4 e 525 105 etot -8.1530E+01 mv 6 26 195 171 0 f 92 354.7 2.6 - 4 e 205 165 etot -8.4106E+01 mv 6 26 3 188 0 - 4 e 318 157 etot -8.0576E+01 mv 6 26 11 141 0 - 4 e 376 138 etot -6.9733E+01 mv 6 26 40 124 0 - 4 e 423 151 etot -7.4629E+01 mv 6 26 11 57 0 - 4 e 140 177 etot -8.1536E+01 mv 6 26 156 173 0 c 173 1.6 0.0 - 4 e 354 155 etot -7.7754E+01 mv 6 26 11 73 0 - 4 e 295 164 etot -7.5817E+01 mv 6 26 3 142 0 - 4 e 274 166 etot -7.8915E+01 mv 6 26 3 24 0 - 4 e 219 168 etot -8.4914E+01 mv 6 26 3 153 0 c 3 1.2 0.0 - 4 e 159 171 etot -8.1557E+01 mv 6 26 156 130 0 - 4 e 213 180 etot -7.5066E+01 mv 6 26 156 182 0 - 4 e 217 178 etot -7.9962E+01 mv 6 26 156 58 0 - 4 e 404 160 etot -7.4318E+01 mv 6 26 11 44 0 - 4 e 124 197 etot -7.4707E+01 mv 6 26 199 187 0 - 4 e 186 190 etot -7.1451E+01 mv 6 26 6 112 0 - 4 e 157 174 etot -8.1364E+01 mv 6 26 156 89 0 - -1 e 1 209 etot 1.3528E+20 mv 2 26 35 -5 0 - 4 e 193 194 etot -7.9569E+01 mv 6 26 199 195 0 - 4 e 279 184 etot -8.1528E+01 mv 6 26 6 188 0 c 6 2.7 0.0 - 4 e 180 199 etot -9.2233E+01 mv 6 26 199 104 0 c 104 3.8 0.0 - 4 e 203 205 etot -6.6867E+01 mv 2 26 44 -75 0 - 4 e 465 175 etot -7.9905E+01 mv 6 26 156 184 0 - 4 e 328 181 etot -8.3849E+01 mv 6 26 6 125 0 c 80 179.5 3.2 - 4 e 168 201 etot -6.9296E+01 mv 2 26 44 -14 0 - 4 e 457 169 etot -8.3829E+01 mv 6 26 3 102 0 c 147 194.6 1.0 - 4 e 257 198 etot -8.0267E+01 mv 6 26 199 110 0 - 4 e 364 188 etot -7.8644E+01 mv 6 26 6 50 0 - 4 e 304 191 etot -7.7615E+01 mv 6 26 199 173 0 - -1 e 1 214 etot 1.3528E+20 mv 2 26 2 -183 0 - 4 e 381 172 etot -7.6069E+01 mv 6 26 156 107 0 - 4 e 369 192 etot -7.8587E+01 mv 6 26 199 81 0 - 4 e 388 153 etot -7.3035E+01 mv 6 26 11 50 0 - -1 e 1 216 etot 1.3528E+20 mv 2 26 200 -52 0 - 4 e 426 146 etot -8.0943E+01 mv 6 26 14 107 0 f 52 423.2 2.1 - -1 e 1 219 etot 1.3528E+20 mv 2 26 200 -19 0 - -1 e 1 227 etot 1.3528E+20 mv 2 26 117 -144 0 - 4 e 510 170 etot -8.3300E+01 mv 6 26 3 41 0 - 4 e 253 196 etot -8.1342E+01 mv 6 26 199 49 0 - 4 e 486 182 etot -8.0856E+01 mv 6 26 6 164 0 - -1 e 1 226 etot 1.3528E+20 mv 2 26 117 -8 0 - 4 e 461 189 etot -7.8275E+01 mv 6 26 6 119 0 - 8 e 37 225 etot -6.3996E+01 mv 2 26 158 -152 0 - -1 e 1 235 etot 1.3528E+20 mv 2 26 112 -192 0 - 4 e 348 208 etot -7.6830E+01 mv 2 26 35 -85 0 - 4 e 445 200 etot -7.7267E+01 mv 6 26 199 57 0 - 4 e 557 156 etot -7.6818E+01 mv 6 26 11 28 0 - 4 e 246 210 etot -8.4089E+01 mv 2 26 35 -168 0 - 4 e 451 206 etot -8.4903E+01 mv 2 26 35 -138 0 c 198 140.4 0.0 - 4 e 204 215 etot -6.7122E+01 mv 2 26 2 -10 0 - 4 e 231 220 etot -8.1058E+01 mv 2 26 200 -128 0 - 4 e 584 195 etot -7.6697E+01 mv 6 26 199 67 0 - 4 e 382 212 etot -6.7914E+01 mv 2 26 2 -14 0 - 4 e 495 204 etot -5.9483E+01 mv 2 26 44 -135 0 - 4 e 224 230 etot -8.7488E+01 mv 2 26 117 -60 0 - 4 e 275 217 etot -5.2176E+01 mv 2 26 200 -32 0 - 4 e 243 232 etot -4.1821E+01 mv 2 26 112 -178 0 - 4 e 285 223 etot -7.2919E+01 mv 2 26 158 -20 0 - -1 e 1 250 etot 1.3528E+20 mv 2 26 94 -177 0 - 4 e 265 233 etot -7.0398E+01 mv 2 26 112 -118 0 - 4 e 203 231 etot -8.5719E+01 mv 2 26 112 -8 0 c 112 2.7 0.0 - 4 e 334 224 etot -7.3184E+01 mv 2 26 158 -196 0 - 4 e 519 211 etot -8.4422E+01 mv 2 26 2 -120 0 - 4 e 352 221 etot -8.0947E+01 mv 2 26 158 -200 0 f 121 436.0 2.1 - 4 e 606 207 etot -7.5087E+01 mv 2 26 35 -78 0 - 4 e 672 202 etot -6.8074E+01 mv 2 26 44 -94 0 - 4 e 435 203 etot -7.6665E+01 mv 2 26 44 -28 0 - 4 e 437 218 etot -6.1401E+01 mv 2 26 200 -22 0 - 4 e 178 240 etot -8.2910E+01 mv 2 26 31 -113 0 c 31 2.4 0.0 - 4 e 222 241 etot -7.0793E+01 mv 2 26 169 -157 0 - -1 e 1 261 etot 1.3528E+20 mv 2 26 130 -199 0 - 4 e 154 251 etot -6.0722E+01 mv 2 26 195 -9 0 - 4 e 209 245 etot -8.2840E+01 mv 2 26 169 -90 0 - 4 e 402 234 etot -7.2743E+01 mv 2 26 112 -120 0 - 4 e 551 193 etot -8.6185E+01 mv 6 26 199 169 0 f 176 373.7 7.2 - 4 e 614 213 etot -8.0922E+01 mv 2 26 2 -154 0 f 85 384.3 1.9 - 4 e 318 229 etot -8.7487E+01 mv 2 26 117 -83 0 - 4 e 351 238 etot -6.5422E+01 mv 2 26 31 -170 0 - 4 e 440 228 etot -8.0559E+01 mv 2 26 117 -78 0 f 111 423.5 1.6 - 4 e 262 239 etot -7.1734E+01 mv 2 26 31 -90 0 - 4 e 331 247 etot -6.8922E+01 mv 2 26 94 -51 0 - -1 e 1 273 etot 1.3528E+20 mv 2 26 14 -198 0 - 4 e 349 236 etot -8.1581E+01 mv 2 26 31 -158 0 - 4 e 251 254 etot -7.0681E+01 mv 2 26 195 -174 0 - 4 e 381 243 etot -7.4293E+01 mv 2 26 169 -42 0 - 4 e 717 185 etot -8.1912E+01 mv 6 26 6 129 0 f 78 413.0 2.9 - 4 e 379 248 etot -7.2094E+01 mv 2 26 94 -28 0 - -1 e 1 279 etot 1.3528E+20 mv 2 26 11 -189 0 - 4 e 364 249 etot -8.3060E+01 mv 2 26 94 -43 0 c 94 59.2 0.1 - 4 e 430 244 etot -7.3652E+01 mv 2 26 169 -13 0 - -1 e 1 282 etot 1.3528E+20 mv 2 26 3 -149 0 - 4 e 313 256 etot -8.2460E+01 mv 2 26 126 -18 0 c 126 5.3 0.0 - 4 e 384 252 etot -6.0419E+01 mv 2 26 195 -80 0 - 4 e 265 260 etot -8.1044E+01 mv 2 26 126 -53 0 - 4 e 258 265 etot -8.2293E+01 mv 2 26 130 -153 0 - 4 e 384 255 etot -7.9064E+01 mv 2 26 195 -151 0 - 4 e 614 237 etot -7.2433E+01 mv 2 26 31 -140 0 - 4 e 353 266 etot -7.1583E+01 mv 2 26 40 -117 0 - 4 e 246 274 etot -6.8588E+01 mv 2 26 14 -90 0 - 4 e 831 222 etot -8.0230E+01 mv 2 26 158 -17 0 f 122 449.6 1.2 - 4 e 380 264 etot -7.9096E+01 mv 2 26 130 -131 0 - 4 e 357 270 etot -7.4930E+01 mv 2 26 40 -19 0 - -1 e 1 294 etot 1.3528E+20 mv 2 26 6 -55 0 - 4 e 259 276 etot -7.0663E+01 mv 2 26 11 -197 0 - 4 e 274 267 etot -6.5038E+01 mv 2 26 40 -36 0 - 4 e 678 242 etot -6.8938E+01 mv 2 26 169 -116 0 - -1 e 1 298 etot 1.3528E+20 mv 2 26 199 -163 0 - 4 e 228 283 etot -6.2405E+01 mv 2 26 3 -141 0 - 4 e 436 268 etot -7.8397E+01 mv 2 26 40 -155 0 - 4 e 173 289 etot -8.0212E+01 mv 2 26 156 -105 0 - 4 e 496 262 etot -7.8155E+01 mv 2 26 130 -172 0 - -1 e 1 303 etot 1.3528E+20 mv 1 26 44 -128 0 - 4 e 443 253 etot -7.1137E+01 mv 2 26 195 -189 0 - 4 e 259 286 etot -8.1598E+01 mv 2 26 156 -113 0 c 156 43.5 0.0 - 4 e 335 280 etot -7.9865E+01 mv 2 26 11 -45 0 - 4 e 715 246 etot -8.0193E+01 mv 2 26 94 -190 0 - 4 e 257 278 etot -6.9227E+01 mv 2 26 11 -5 0 - 4 e 374 277 etot -7.1991E+01 mv 2 26 11 -30 0 - 4 e 343 281 etot -7.3514E+01 mv 2 26 3 -50 0 - 4 e 629 257 etot -7.5030E+01 mv 2 26 126 -67 0 - -1 e 1 312 etot 1.3528E+20 mv 1 26 2 -78 0 - -1 e 1 313 etot 1.3528E+20 mv 1 26 2 -51 0 - 4 e 403 263 etot -7.2792E+01 mv 2 26 130 -11 0 - 4 e 139 299 etot -7.2313E+01 mv 2 26 199 -55 0 - 4 e 285 288 etot -6.0508E+01 mv 2 26 156 -48 0 - -1 e 1 317 etot 1.3528E+20 mv 1 26 200 -26 0 - 4 e 523 271 etot -7.9990E+01 mv 2 26 14 -199 0 - 4 e 675 258 etot -8.3170E+01 mv 2 26 126 -26 0 f 38 399.6 4.1 - 4 e 251 290 etot -7.4437E+01 mv 2 26 156 -177 0 - 4 e 395 285 etot -7.9462E+01 mv 2 26 3 -59 0 - 4 e 265 295 etot -7.2949E+01 mv 2 26 6 -193 0 - 4 e 277 292 etot -7.9612E+01 mv 2 26 6 -91 0 - 4 e 312 291 etot -8.1528E+01 mv 2 26 6 -50 0 c 6 1.3 0.0 - 4 e 423 287 etot -6.6135E+01 mv 2 26 156 -173 0 - 8 e 44 323 etot -6.3999E+01 mv 1 26 158 -96 0 - -1 e 1 327 etot 1.3528E+20 mv 1 26 117 -182 0 - 4 e 539 259 etot -7.7220E+01 mv 2 26 126 -124 0 - 4 e 205 308 etot -6.7194E+01 mv 1 26 35 -177 0 - 4 e 174 318 etot -5.8285E+01 mv 1 26 200 -18 0 - 4 e 256 304 etot -7.9342E+01 mv 1 26 44 -176 0 - 4 e 270 307 etot -7.2469E+01 mv 1 26 35 -106 0 - 4 e 323 302 etot -7.1098E+01 mv 1 26 44 -71 0 - 4 e 161 315 etot -5.8864E+01 mv 1 26 2 -57 0 - 4 e 247 311 etot -8.4018E+01 mv 1 26 2 -127 0 - 4 e 526 269 etot -7.0957E+01 mv 2 26 40 -181 0 - 4 e 231 320 etot -8.2909E+01 mv 1 26 200 -72 0 - 4 e 456 293 etot -7.8427E+01 mv 2 26 6 -87 0 - -1 e 1 339 etot 1.3528E+20 mv 1 26 31 -36 0 - 4 e 283 316 etot -6.3002E+01 mv 1 26 200 -43 0 - 4 e 648 284 etot -7.2667E+01 mv 2 26 3 -178 0 - -1 e 1 342 etot 1.3528E+20 mv 1 26 169 -56 0 - 4 e 224 324 etot -8.2658E+01 mv 1 26 158 -106 0 - 4 e 283 321 etot -8.3446E+01 mv 1 26 158 -154 0 - 4 e 512 296 etot -7.8706E+01 mv 2 26 199 -109 0 - 4 e 546 275 etot -7.2159E+01 mv 2 26 14 -22 0 - 4 e 212 330 etot -8.7487E+01 mv 1 26 117 -79 0 - 4 e 618 272 etot -7.0882E+01 mv 2 26 14 -3 0 - 4 e 215 332 etot -6.8464E+01 mv 1 26 112 -70 0 - 4 e 372 319 etot -8.3857E+01 mv 1 26 200 -17 0 - 4 e 440 310 etot -8.2442E+01 mv 1 26 35 -71 0 - 4 e 463 306 etot -7.7982E+01 mv 1 26 35 -172 0 - 4 e 541 300 etot -7.7878E+01 mv 2 26 199 -160 0 - 4 e 232 333 etot -6.6699E+01 mv 1 26 112 -139 0 - 4 e 444 297 etot -7.9357E+01 mv 2 26 199 -13 0 f 17 422.6 0.3 - 4 e 278 336 etot -7.0753E+01 mv 1 26 31 -20 0 - 4 e 383 309 etot -7.5744E+01 mv 1 26 35 -45 0 - 4 e 406 305 etot -8.0755E+01 mv 1 26 44 -126 0 - 4 e 433 326 etot -7.4072E+01 mv 1 26 117 -105 0 - 4 e 295 340 etot -7.0347E+01 mv 1 26 31 -185 0 - 4 e 281 341 etot -8.0294E+01 mv 1 26 169 -131 0 - 8 e 151 354 etot -6.3996E+01 mv 1 26 195 -87 0 - 4 e 607 314 etot -7.7743E+01 mv 1 26 2 -11 0 - 4 e 256 337 etot -8.2910E+01 mv 1 26 31 -97 0 - 4 e 758 301 etot -7.6887E+01 mv 1 26 44 -175 0 - 4 e 562 322 etot -7.6770E+01 mv 1 26 158 -24 0 - 4 e 231 353 etot -6.6510E+01 mv 1 26 195 -127 0 - 4 e 488 331 etot -8.5717E+01 mv 1 26 112 -22 0 - -1 e 1 369 etot 1.3528E+20 mv 1 26 40 -158 0 - 4 e 511 328 etot -7.7579E+01 mv 1 26 117 -93 0 - 4 e 546 325 etot -5.6315E+01 mv 1 26 158 -64 0 - 4 e 344 345 etot -7.2003E+01 mv 1 26 169 -133 0 - 4 e 436 338 etot -7.3543E+01 mv 1 26 31 -2 0 - 4 e 311 348 etot -8.0715E+01 mv 1 26 94 -169 0 - 4 e 303 350 etot -8.2191E+01 mv 1 26 94 -108 0 - 4 e 392 343 etot -7.5956E+01 mv 1 26 169 -99 0 - 4 e 372 346 etot -8.3229E+01 mv 1 26 94 -27 0 c 94 123.6 0.2 - 4 e 174 360 etot -8.2461E+01 mv 1 26 126 -56 0 c 126 1.2 0.0 - 4 e 360 335 etot -8.3521E+01 mv 1 26 112 -163 0 - 4 e 347 355 etot -6.9003E+01 mv 1 26 195 -187 0 - 4 e 567 334 etot -7.8108E+01 mv 1 26 112 -200 0 - 4 e 204 358 etot -7.3341E+01 mv 1 26 126 -181 0 - 4 e 187 366 etot -6.5324E+01 mv 1 26 40 -151 0 - 4 e 300 349 etot -6.4283E+01 mv 1 26 94 -197 0 - 4 e 491 344 etot -8.1355E+01 mv 1 26 169 -11 0 - 4 e 420 352 etot -8.3528E+01 mv 1 26 195 -180 0 c 92 169.9 2.0 - 4 e 147 365 etot -8.2019E+01 mv 1 26 130 -6 0 - 4 e 266 361 etot -8.1642E+01 mv 1 26 130 -159 0 - 4 e 261 363 etot -8.2248E+01 mv 1 26 130 -65 0 - 4 e 177 375 etot -8.4327E+01 mv 1 26 14 -120 0 c 14 0.5 0.0 - 4 e 493 351 etot -8.3256E+01 mv 1 26 195 -118 0 - 4 e 259 370 etot -6.7770E+01 mv 1 26 40 -17 0 - 4 e 314 362 etot -7.9573E+01 mv 1 26 130 -19 0 - 4 e 431 357 etot -8.2199E+01 mv 1 26 126 -169 0 - 4 e 338 364 etot -8.0287E+01 mv 1 26 130 -79 0 f 87 395.2 1.2 - 4 e 124 386 etot -8.1572E+01 mv 1 26 156 -122 0 - 4 e 256 376 etot -6.5044E+01 mv 1 26 11 -68 0 - 4 e 291 371 etot -8.1029E+01 mv 1 26 14 -31 0 c 137 224.9 1.8 - 4 e 249 377 etot -6.9227E+01 mv 1 26 11 -173 0 - 4 e 316 374 etot -8.3133E+01 mv 1 26 14 -9 0 - 4 e 390 368 etot -7.7325E+01 mv 1 26 40 -119 0 - 4 e 228 380 etot -8.0210E+01 mv 1 26 11 -176 0 - 4 e 393 373 etot -8.3012E+01 mv 1 26 14 -141 0 - 4 e 69 402 etot -8.6000E+01 mv 0 26 35 0 0 c 35 0.1 0.0 - 4 e 230 389 etot -6.6406E+01 mv 1 26 156 -138 0 - 4 e 448 372 etot -7.4028E+01 mv 1 26 14 -27 0 - 4 e 380 379 etot -8.0225E+01 mv 1 26 11 -200 0 - 4 e 135 401 etot -8.0757E+01 mv 0 26 44 0 0 c 44 1.1 0.0 - 4 e 518 347 etot -6.3712E+01 mv 1 26 94 -171 0 - 4 e 366 381 etot -7.7751E+01 mv 1 26 3 -101 0 - 4 e 207 398 etot -6.1458E+01 mv 1 26 199 -171 0 - 4 e 213 388 etot -8.0539E+01 mv 1 26 156 -55 0 - 4 e 450 359 etot -8.1610E+01 mv 1 26 126 -182 0 - 4 e 703 329 etot -8.8204E+01 mv 1 26 117 -56 0 - 4 e 99 405 etot -8.4110E+01 mv 0 26 158 0 0 c 158 0.6 0.0 - 4 e 232 399 etot -8.1342E+01 mv 1 26 199 -116 0 - 4 e 363 387 etot -8.2814E+01 mv 1 26 156 -52 0 c 156 102.6 1.2 - 4 e 261 385 etot -8.4976E+01 mv 1 26 3 -112 0 - 4 e 132 404 etot -8.4396E+01 mv 0 26 200 0 0 -## N0 total= 21 close= 11 far= 0 %acc 52.4 -## N1 total= 99 close= 7 far= 2 %acc 9.1 -## N2 total= 100 close= 7 far= 6 %acc 13.0 -## N3 total= 0 close= 0 far= 0 %acc 0.0 -## N4 total= 0 close= 0 far= 0 %acc 0.0 -## N5 total= 0 close= 0 far= 0 %acc 0.0 -## N6 total= 200 close= 23 far= 13 %acc 18.0 -## N7 total= 0 close= 0 far= 0 %acc 0.0 -## N8 total= 0 close= 0 far= 0 %acc 0.0 -## N9 total= 0 close= 0 far= 0 %acc 0.0 -##N10 total= 0 close= 0 far= 0 %acc 0.0 -##N11 total= 0 close= 0 far= 0 %acc 0.0 -##N12 total= 0 close= 0 far= 0 %acc 0.0 -##N13 total= 0 close= 0 far= 0 %acc 0.0 -##N14 total= 0 close= 0 far= 0 %acc 0.0 -##N15 total= 0 close= 0 far= 0 %acc 0.0 -##N16 total= 0 close= 0 far= 0 %acc 0.0 -##N17 total= 0 close= 0 far= 0 %acc 0.0 -##N18 total= 0 close= 0 far= 0 %acc 0.0 - Time for refresh 27 0.45 - make_var : nseed= 20 ntry= 420 - Time for make trial 28 0.08 -Nonsetup time 58.20 sec, Eval/s = 62824.73 -Time for iter 28 2.05 sec, Eval/s = 63196.89 - UPDATING 420 - 4 e 514 396 etot -8.7956E+01 mv 1 26 199 -133 0 - 4 e 72 420 etot -8.1342E+01 mv 0 26 199 0 0 c 199 0.6 0.0 - 4 e 466 390 etot -6.9646E+01 mv 1 26 156 -195 0 - 4 e 436 395 etot -8.1556E+01 mv 1 26 6 -43 0 c 6 73.0 0.0 - 4 e 379 391 etot -8.0491E+01 mv 1 26 6 -118 0 - 4 e 126 407 etot -8.5719E+01 mv 0 26 112 0 0 c 112 1.0 0.0 - 4 e 447 397 etot -7.1908E+01 mv 1 26 199 -63 0 - 4 e 319 394 etot -7.9611E+01 mv 1 26 6 -128 0 - 4 e 649 367 etot -7.4806E+01 mv 1 26 40 -152 0 - 4 e 539 411 etot -8.3427E+01 mv 0 26 195 0 0 c 195 48.4 0.7 - 4 e 696 393 etot -8.3284E+01 mv 1 26 6 -42 0 c 6 243.2 1.7 - 4 e 155 409 etot -8.2911E+01 mv 0 26 169 0 0 - 4 e 135 412 etot -8.2461E+01 mv 0 26 126 0 0 c 126 1.0 0.0 - 4 e 106 416 etot -8.1602E+01 mv 0 26 11 0 0 c 11 0.3 0.0 - 4 e 103 408 etot -8.2910E+01 mv 0 26 31 0 0 c 31 1.0 0.0 - -1 e 1 6 etot 1.3528E+20 mv 6 27 89 32 0 - 4 e 518 392 etot -7.2061E+01 mv 1 26 6 -119 0 - 4 e 72 418 etot -8.1572E+01 mv 0 26 156 0 0 - 4 e 331 400 etot -7.5156E+01 mv 1 26 199 -152 0 - 4 e 150 406 etot -8.7488E+01 mv 0 26 117 0 0 - 4 e 580 382 etot -8.0721E+01 mv 1 26 3 -60 0 f 159 434.5 1.6 - 4 e 703 378 etot -7.6504E+01 mv 1 26 11 -56 0 - 4 e 122 417 etot -8.4914E+01 mv 0 26 3 0 0 c 3 0.8 0.0 - 4 e 485 384 etot -6.2219E+01 mv 1 26 3 -57 0 - 4 e 595 356 etot -8.3367E+01 mv 1 26 126 -135 0 c 126 113.0 0.9 - 4 e 134 403 etot -8.4424E+01 mv 0 26 2 0 0 - 4 e 94 410 etot -8.2960E+01 mv 0 26 94 0 0 - 4 e 122 413 etot -8.2019E+01 mv 0 26 130 0 0 - 4 e 127 414 etot -8.1704E+01 mv 0 26 40 0 0 c 40 1.3 0.0 - 4 e 90 419 etot -8.1529E+01 mv 0 26 6 0 0 - 4 e 452 383 etot -7.8400E+01 mv 1 26 3 -74 0 - 4 e 85 415 etot -8.4327E+01 mv 0 26 14 0 0 c 14 0.6 0.0 - 4 e 186 5 etot -7.8378E+01 mv 6 27 89 193 0 - 4 e 201 18 etot -8.3412E+01 mv 6 27 198 143 0 - 4 e 184 25 etot -7.5922E+01 mv 6 27 152 26 0 - 4 e 203 12 etot -6.6408E+01 mv 6 27 198 167 0 - -1 e 1 35 etot 1.3528E+20 mv 6 27 192 161 0 - 4 e 215 30 etot -6.9938E+01 mv 6 27 152 189 0 - 4 e 213 19 etot -8.4906E+01 mv 6 27 198 98 0 c 198 3.4 0.0 - 4 e 221 4 etot -8.1622E+01 mv 6 27 89 167 0 c 167 29.9 0.1 - 4 e 241 7 etot -7.6991E+01 mv 6 27 89 93 0 - 4 e 246 28 etot -7.6238E+01 mv 6 27 152 48 0 - 4 e 275 3 etot -7.3275E+01 mv 6 27 89 58 0 - 4 e 269 15 etot -7.2259E+01 mv 6 27 198 115 0 - 4 e 342 31 etot -7.7963E+01 mv 6 27 192 140 0 - 4 e 334 10 etot -6.9730E+01 mv 6 27 89 22 0 - 4 e 405 16 etot -8.4905E+01 mv 6 27 198 115 0 - 4 e 363 21 etot -8.0919E+01 mv 6 27 152 110 0 - 4 e 330 24 etot -7.6298E+01 mv 6 27 152 170 0 - 4 e 386 8 etot -6.8969E+01 mv 6 27 89 4 0 - 4 e 375 1 etot -8.1433E+01 mv 6 27 89 131 0 - 4 e 253 33 etot -8.3691E+01 mv 6 27 192 144 0 - 4 e 81 45 etot -7.9329E+01 mv 6 27 70 118 0 c 118 0.5 0.0 - 4 e 207 38 etot -6.8783E+01 mv 6 27 192 65 0 - 4 e 414 13 etot -8.5998E+01 mv 6 27 198 76 0 - 4 e 427 32 etot -7.7026E+01 mv 6 27 192 147 0 - 4 e 240 41 etot -7.9805E+01 mv 6 27 70 68 0 c 68 36.5 0.2 - 4 e 426 2 etot -7.7553E+01 mv 6 27 89 13 0 - 4 e 216 27 etot -8.6319E+01 mv 6 27 152 80 0 c 152 3.8 0.0 - 4 e 454 29 etot -8.5852E+01 mv 6 27 152 35 0 - 4 e 240 39 etot -8.1147E+01 mv 6 27 192 46 0 - 4 e 460 9 etot -8.1432E+01 mv 6 27 89 5 0 - 4 e 458 11 etot -8.1528E+01 mv 6 27 198 141 0 - 4 e 202 42 etot -6.9095E+01 mv 6 27 70 174 0 - -1 e 1 64 etot 1.3528E+20 mv 6 27 117 131 0 - 4 e 284 36 etot -8.6652E+01 mv 6 27 192 13 0 c 192 5.8 0.0 - 4 e 174 52 etot -8.4022E+01 mv 6 27 200 132 0 - 4 e 420 40 etot -7.7043E+01 mv 6 27 192 96 0 - 4 e 510 14 etot -8.3584E+01 mv 6 27 198 38 0 - 4 e 307 37 etot -7.6952E+01 mv 6 27 192 123 0 - 4 e 168 50 etot -7.4234E+01 mv 6 27 70 129 0 - 4 e 246 44 etot -7.5905E+01 mv 6 27 70 186 0 - 4 e 323 47 etot -7.5682E+01 mv 6 27 70 189 0 - 4 e 589 22 etot -7.5430E+01 mv 6 27 152 20 0 - 4 e 654 23 etot -8.6107E+01 mv 6 27 152 57 0 - -1 e 1 75 etot 8.0507E+26 mv 6 27 147 26 0 - 4 e 297 46 etot -8.5478E+01 mv 6 27 70 160 0 - 4 e 434 34 etot -8.2111E+01 mv 6 27 192 139 0 - 4 e 230 56 etot -7.2615E+01 mv 6 27 200 27 0 - 4 e 341 57 etot -7.8738E+01 mv 6 27 200 10 0 - 4 e 215 63 etot -8.8393E+01 mv 6 27 117 48 0 c 117 1.4 0.0 - 4 e 325 55 etot -8.2469E+01 mv 6 27 200 178 0 - 4 e 202 68 etot -8.8096E+01 mv 6 27 117 162 0 - -1 e 1 83 etot 1.3528E+20 mv 6 27 157 44 0 - 4 e 360 49 etot -7.3157E+01 mv 6 27 70 105 0 - 4 e 483 43 etot -8.1241E+01 mv 6 27 70 37 0 - 4 e 257 66 etot -8.8221E+01 mv 6 27 117 168 0 - 4 e 383 48 etot -8.3880E+01 mv 6 27 70 175 0 - 4 e 294 54 etot -7.2771E+01 mv 6 27 200 90 0 - 4 e 370 58 etot -7.8422E+01 mv 6 27 200 62 0 - 4 e 698 17 etot -8.3506E+01 mv 6 27 198 186 0 - 4 e 207 73 etot -8.1233E+01 mv 6 27 147 146 0 c 146 3.4 0.0 - 4 e 240 72 etot -8.3540E+01 mv 6 27 147 200 0 - 4 e 695 20 etot -7.9292E+01 mv 6 27 198 137 0 f 51 465.2 0.2 - 4 e 128 80 etot -6.7009E+01 mv 6 27 147 158 0 - 4 e 303 61 etot -8.8393E+01 mv 6 27 117 186 0 - 4 e 248 65 etot -8.8096E+01 mv 6 27 117 52 0 - 4 e 336 69 etot -8.2980E+01 mv 6 27 117 47 0 - 4 e 290 71 etot -8.4425E+01 mv 6 27 147 155 0 c 147 119.2 0.6 - 4 e 383 67 etot -8.5447E+01 mv 6 27 117 149 0 c 149 264.1 3.1 - -1 e 1 100 etot 1.3528E+20 mv 6 27 38 142 0 - 4 e 381 53 etot -8.8085E+01 mv 6 27 200 101 0 - 4 e 317 74 etot -8.2913E+01 mv 6 27 147 120 0 - 4 e 214 78 etot -8.4110E+01 mv 6 27 147 158 0 - 8 e 67 98 etot -6.3989E+01 mv 6 27 38 112 0 - 4 e 177 90 etot -6.7428E+01 mv 6 27 157 38 0 - 4 e 227 84 etot -8.5434E+01 mv 6 27 157 134 0 - 4 e 462 62 etot -8.0346E+01 mv 6 27 117 199 0 - 4 e 233 87 etot -8.1033E+01 mv 6 27 157 119 0 - 4 e 336 76 etot -7.6408E+01 mv 6 27 147 88 0 - 4 e 244 93 etot -8.1716E+01 mv 6 27 38 151 0 - 4 e 458 60 etot -8.5548E+01 mv 6 27 200 179 0 c 200 5.7 0.0 - 4 e 349 81 etot -7.9771E+01 mv 6 27 157 184 0 - 4 e 264 94 etot -8.2668E+01 mv 6 27 38 166 0 - 4 e 248 59 etot -7.9697E+01 mv 6 27 200 126 0 - -1 e 1 115 etot 1.3528E+20 mv 6 27 156 139 0 - -1 e 1 116 etot 1.3528E+20 mv 6 27 156 163 0 - 4 e 297 92 etot -7.6858E+01 mv 6 27 38 25 0 - -1 e 1 118 etot 1.3528E+20 mv 6 27 156 88 0 - 4 e 434 77 etot -8.5257E+01 mv 6 27 147 101 0 c 2 266.2 0.3 - 4 e 268 96 etot -7.9437E+01 mv 6 27 38 103 0 - 4 e 385 86 etot -8.1048E+01 mv 6 27 157 193 0 - 4 e 795 51 etot -8.1626E+01 mv 6 27 200 124 0 - 4 e 281 99 etot -8.3265E+01 mv 6 27 38 200 0 c 15 225.3 3.7 - 4 e 275 89 etot -8.1862E+01 mv 6 27 157 128 0 f 190 376.9 2.7 - -1 e 1 125 etot 3.3983E+22 mv 6 27 155 159 0 - 4 e 240 106 etot -8.3067E+01 mv 6 27 69 164 0 c 69 5.3 0.0 - 4 e 464 85 etot -8.3383E+01 mv 6 27 157 107 0 c 157 2.5 0.0 - 4 e 235 109 etot -8.4570E+01 mv 6 27 69 189 0 - 4 e 510 26 etot -8.1419E+01 mv 6 27 152 80 0 - 4 e 263 107 etot -7.9485E+01 mv 6 27 69 51 0 f 81 416.6 0.3 - 4 e 164 114 etot -6.5565E+01 mv 6 27 156 104 0 - 4 e 283 108 etot -6.5548E+01 mv 6 27 69 16 0 - 4 e 338 104 etot -7.7977E+01 mv 6 27 69 73 0 - 4 e 531 88 etot -8.5154E+01 mv 6 27 157 123 0 - 4 e 402 79 etot -7.2910E+01 mv 6 27 147 81 0 - 4 e 478 95 etot -8.3261E+01 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0 - 4 e 585 322 etot -7.6268E+01 mv 1 27 70 -126 0 - 4 e 509 352 etot -7.3471E+01 mv 1 27 69 -142 0 - 4 e 522 353 etot -7.8325E+01 mv 1 27 69 -31 0 - 4 e 579 348 etot -8.3293E+01 mv 1 27 38 -41 0 - 4 e 741 333 etot -8.3484E+01 mv 1 27 117 -154 0 - 4 e 361 369 etot -7.2550E+01 mv 1 27 130 -23 0 - 4 e 125 390 etot -8.2009E+01 mv 1 27 196 -70 0 - 4 e 132 393 etot -7.3021E+01 mv 1 27 10 -117 0 - 4 e 467 361 etot -8.1813E+01 mv 1 27 155 -22 0 - 4 e 317 364 etot -6.9717E+01 mv 1 27 155 -153 0 - 4 e 319 380 etot -7.0910E+01 mv 1 27 47 -125 0 - 4 e 376 376 etot -7.7734E+01 mv 1 27 47 -85 0 - 4 e 257 386 etot -8.0631E+01 mv 1 27 196 -90 0 - 4 e 406 374 etot -6.8829E+01 mv 1 27 5 -122 0 - 4 e 172 397 etot -7.9827E+01 mv 1 27 146 -26 0 - 4 e 390 362 etot -7.5297E+01 mv 1 27 155 -197 0 - 4 e 447 373 etot -7.4506E+01 mv 1 27 5 -3 0 - 4 e 137 401 etot -8.0377E+01 mv 0 27 89 0 0 - 4 e 307 388 etot -6.5974E+01 mv 1 27 196 -162 0 - 4 e 242 394 etot -7.9653E+01 mv 1 27 10 -197 0 - 4 e 510 372 etot -7.6302E+01 mv 1 27 5 -148 0 - 4 e 90 407 etot -8.8394E+01 mv 0 27 117 0 0 c 117 1.1 0.0 - 4 e 382 382 etot -8.2797E+01 mv 1 27 78 -97 0 c 78 201.0 0.9 - 4 e 133 404 etot -8.6653E+01 mv 0 27 192 0 0 c 192 2.2 0.0 - 4 e 176 402 etot -8.4907E+01 mv 0 27 198 0 0 -## N0 total= 20 close= 11 far= 0 %acc 55.0 -## N1 total= 100 close= 13 far= 2 %acc 15.0 -## N2 total= 100 close= 5 far= 0 %acc 5.0 -## N3 total= 0 close= 0 far= 0 %acc 0.0 -## N4 total= 0 close= 0 far= 0 %acc 0.0 -## N5 total= 0 close= 0 far= 0 %acc 0.0 -## N6 total= 200 close= 32 far= 7 %acc 19.5 -## N7 total= 0 close= 0 far= 0 %acc 0.0 -## N8 total= 0 close= 0 far= 0 %acc 0.0 -## N9 total= 0 close= 0 far= 0 %acc 0.0 -##N10 total= 0 close= 0 far= 0 %acc 0.0 -##N11 total= 0 close= 0 far= 0 %acc 0.0 -##N12 total= 0 close= 0 far= 0 %acc 0.0 -##N13 total= 0 close= 0 far= 0 %acc 0.0 -##N14 total= 0 close= 0 far= 0 %acc 0.0 -##N15 total= 0 close= 0 far= 0 %acc 0.0 -##N16 total= 0 close= 0 far= 0 %acc 0.0 -##N17 total= 0 close= 0 far= 0 %acc 0.0 -##N18 total= 0 close= 0 far= 0 %acc 0.0 - Time for refresh 28 0.26 - make_var : nseed= 20 ntry= 420 - Time for make trial 29 0.09 -Nonsetup time 59.96 sec, Eval/s = 62979.72 -Time for iter 29 1.76 sec, Eval/s = 68099.41 - UPDATING 420 - 4 e 580 371 etot -8.5427E+01 mv 1 27 5 -25 0 c 5 231.0 2.9 - 4 e 19 416 etot -8.2357E+01 mv 0 27 47 0 0 c 47 0.0 0.0 - 4 e 109 413 etot -8.2813E+01 mv 0 27 155 0 0 c 155 1.5 0.0 - 4 e 527 398 etot -7.0957E+01 mv 1 27 146 -9 0 - 4 e 84 420 etot -8.1233E+01 mv 0 27 146 0 0 c 146 1.0 0.0 - 4 e 111 419 etot -8.1256E+01 mv 0 27 10 0 0 - 4 e 81 412 etot -8.2815E+01 mv 0 27 156 0 0 c 156 1.0 0.0 - 4 e 104 414 etot -8.3149E+01 mv 0 27 130 0 0 - 4 e 130 415 etot -8.2503E+01 mv 0 27 5 0 0 - 4 e 105 418 etot -8.2396E+01 mv 0 27 196 0 0 - 4 e 151 403 etot -8.6319E+01 mv 0 27 152 0 0 c 152 1.5 0.0 - 4 e 162 417 etot -8.1914E+01 mv 0 27 78 0 0 - 4 e 143 408 etot -8.3831E+01 mv 0 27 147 0 0 - 4 e 615 384 etot -7.9731E+01 mv 1 27 78 -103 0 - 4 e 276 399 etot -7.5209E+01 mv 1 27 146 -47 0 - 4 e 281 392 etot -7.6681E+01 mv 1 27 10 -15 0 - 4 e 134 406 etot -8.5550E+01 mv 0 27 200 0 0 c 200 1.2 0.0 - 4 e 345 387 etot -7.4879E+01 mv 1 27 196 -185 0 - 4 e 437 389 etot -8.2394E+01 mv 1 27 196 -88 0 - -1 e 1 11 etot 1.3528E+20 mv 6 28 22 117 0 - -1 e 1 12 etot 5.7938E+28 mv 6 28 22 132 0 - 4 e 206 400 etot -6.6782E+01 mv 1 27 146 -126 0 - 4 e 183 409 etot -8.3384E+01 mv 0 27 157 0 0 c 157 2.8 0.0 - 4 e 501 381 etot -8.1912E+01 mv 1 27 78 -29 0 - 4 e 95 410 etot -8.3171E+01 mv 0 27 38 0 0 - 4 e 118 405 etot -8.5478E+01 mv 0 27 70 0 0 c 70 0.7 0.0 - 4 e 596 385 etot -6.8927E+01 mv 1 27 78 -81 0 - 4 e 263 391 etot -8.1255E+01 mv 1 27 10 -17 0 - 4 e 467 379 etot -8.2355E+01 mv 1 27 47 -12 0 - 4 e 340 396 etot -7.4323E+01 mv 1 27 146 -53 0 - 4 e 138 411 etot -8.3068E+01 mv 0 27 69 0 0 - 4 e 372 395 etot -7.0193E+01 mv 1 27 10 -33 0 - 4 e 427 375 etot -7.4121E+01 mv 1 27 5 -124 0 - -1 e 1 26 etot 1.3528E+20 mv 6 28 176 44 0 - -1 e 1 30 etot 1.3528E+20 mv 6 28 176 34 0 - -1 e 1 35 etot 1.3528E+20 mv 6 28 92 13 0 - 4 e 132 9 etot -8.3849E+01 mv 6 28 137 80 0 c 80 1.2 0.0 - 4 e 177 17 etot -7.1423E+01 mv 6 28 22 49 0 - -1 e 1 38 etot 1.3528E+20 mv 6 28 92 117 0 - 4 e 205 2 etot -8.1031E+01 mv 6 28 137 75 0 c 137 2.5 0.0 - 4 e 211 1 etot -7.7002E+01 mv 6 28 137 109 0 - 4 e 214 7 etot -8.4334E+01 mv 6 28 137 53 0 c 53 2.5 0.0 - 4 e 211 22 etot -8.6186E+01 mv 6 28 176 47 0 c 176 2.5 0.0 - 4 e 242 34 etot -6.9790E+01 mv 6 28 92 15 0 - 4 e 255 32 etot -8.0827E+01 mv 6 28 92 26 0 c 26 212.3 1.0 - 4 e 268 13 etot -6.9702E+01 mv 6 28 22 101 0 - 4 e 267 14 etot -7.8137E+01 mv 6 28 22 2 0 - 4 e 279 16 etot -7.0439E+01 mv 6 28 22 44 0 - 4 e 278 8 etot -8.1030E+01 mv 6 28 137 2 0 - 4 e 329 15 etot -7.2571E+01 mv 6 28 22 18 0 - -1 e 1 50 etot 1.3528E+20 mv 6 28 38 55 0 - 4 e 317 10 etot -8.4159E+01 mv 6 28 137 11 0 c 137 268.7 3.1 - 4 e 353 31 etot -7.3943E+01 mv 6 28 92 36 0 - 4 e 327 24 etot -8.3984E+01 mv 6 28 176 59 0 - 4 e 339 25 etot -8.7109E+01 mv 6 28 176 92 0 c 92 41.8 1.4 - 4 e 400 4 etot -7.9949E+01 mv 6 28 137 7 0 f 17 399.1 0.6 - 4 e 366 33 etot -7.0834E+01 mv 6 28 92 166 0 - 4 e 420 5 etot -7.9273E+01 mv 6 28 137 157 0 - -1 e 1 58 etot 1.3528E+20 mv 6 28 193 124 0 - 4 e 192 39 etot -8.4056E+01 mv 6 28 92 198 0 - 4 e 381 29 etot -8.2323E+01 mv 6 28 176 61 0 c 61 4.9 0.0 - 4 e 391 27 etot -8.6185E+01 mv 6 28 176 183 0 - -1 e 1 62 etot 1.3528E+20 mv 6 28 147 87 0 - 4 e 390 21 etot -7.3828E+01 mv 6 28 176 35 0 - 4 e 63 54 etot -8.0936E+01 mv 6 28 193 108 0 c 108 0.1 0.0 - 4 e 185 41 etot -6.6173E+01 mv 6 28 38 8 0 - 4 e 377 3 etot -8.0295E+01 mv 6 28 137 176 0 - 4 e 434 20 etot -8.1434E+01 mv 6 28 22 94 0 - 4 e 437 28 etot -7.4044E+01 mv 6 28 176 139 0 - -1 e 1 68 etot 1.3528E+20 mv 6 28 147 134 0 - 4 e 226 43 etot -7.9468E+01 mv 6 28 38 42 0 - 4 e 544 6 etot -8.2508E+01 mv 6 28 137 147 0 - 4 e 94 63 etot -8.1536E+01 mv 6 28 147 173 0 c 173 0.3 0.0 - 4 e 469 18 etot -8.2424E+01 mv 6 28 22 178 0 - 4 e 193 56 etot -8.1380E+01 mv 6 28 193 92 0 - 4 e 469 19 etot -8.3272E+01 mv 6 28 22 63 0 - 4 e 519 23 etot -8.9058E+01 mv 6 28 176 53 0 - 4 e 284 40 etot -8.5748E+01 mv 6 28 92 41 0 - 4 e 160 57 etot -8.4729E+01 mv 6 28 193 199 0 - 4 e 209 52 etot -7.2921E+01 mv 6 28 193 1 0 - 4 e 102 67 etot -8.5794E+01 mv 6 28 147 132 0 c 132 1.0 0.0 - 4 e 528 36 etot -7.9074E+01 mv 6 28 92 165 0 - 4 e 494 42 etot -8.7045E+01 mv 6 28 38 119 0 c 38 16.4 0.3 - 4 e 298 59 etot -8.4756E+01 mv 6 28 193 90 0 c 193 3.4 0.0 - 4 e 167 70 etot -8.6791E+01 mv 6 28 147 38 0 - 4 e 186 60 etot -6.5750E+01 mv 6 28 193 29 0 - 4 e 321 49 etot -7.8853E+01 mv 6 28 38 156 0 - 4 e 482 37 etot -8.6296E+01 mv 6 28 92 18 0 - 4 e 320 45 etot -8.5862E+01 mv 6 28 38 141 0 - 4 e 405 47 etot -8.0983E+01 mv 6 28 38 171 0 - 4 e 317 48 etot -6.3246E+01 mv 6 28 38 78 0 - 4 e 419 46 etot -8.2208E+01 mv 6 28 38 177 0 - 4 e 177 75 etot -8.4712E+01 mv 6 28 194 118 0 - 4 e 197 66 etot -8.4426E+01 mv 6 28 147 98 0 c 147 2.2 0.0 - 4 e 256 72 etot -8.6443E+01 mv 6 28 194 36 0 f 46 381.2 7.1 - 4 e 325 65 etot -8.0635E+01 mv 6 28 147 186 0 - -1 e 1 95 etot 1.3528E+20 mv 6 28 69 125 0 - 4 e 284 71 etot -8.4390E+01 mv 6 28 194 40 0 - 4 e 199 74 etot -8.6155E+01 mv 6 28 194 98 0 c 35 42.1 0.2 - 4 e 385 64 etot -8.4913E+01 mv 6 28 147 49 0 - 4 e 186 73 etot -7.2251E+01 mv 6 28 194 164 0 - 4 e 236 80 etot -7.5942E+01 mv 6 28 194 58 0 - 4 e 262 76 etot -8.6155E+01 mv 6 28 194 74 0 - 4 e 212 83 etot -8.8555E+01 mv 6 28 86 175 0 c 86 2.6 0.0 - 4 e 366 53 etot -7.6692E+01 mv 6 28 193 51 0 - -1 e 1 104 etot 1.3528E+20 mv 6 28 162 82 0 - -1 e 1 105 etot 1.3528E+20 mv 6 28 162 130 0 - 4 e 316 77 etot -7.9110E+01 mv 6 28 194 186 0 - 4 e 204 87 etot -8.8555E+01 mv 6 28 86 84 0 - 4 e 182 81 etot -8.1726E+01 mv 6 28 86 186 0 c 186 2.8 0.0 - 4 e 124 99 etot -8.6000E+01 mv 6 28 69 35 0 - 4 e 258 84 etot -7.6475E+01 mv 6 28 86 113 0 - 4 e 574 51 etot -8.5704E+01 mv 6 28 193 199 0 c 193 212.5 0.9 - 4 e 568 55 etot -7.5449E+01 mv 6 28 193 31 0 - 4 e 226 90 etot -7.4338E+01 mv 6 28 86 39 0 - -1 e 1 114 etot 1.3528E+20 mv 6 28 6 100 0 - 4 e 240 79 etot -7.0625E+01 mv 6 28 194 193 0 - 4 e 503 44 etot -7.9614E+01 mv 6 28 38 154 0 f 56 369.5 0.2 - 4 e 318 88 etot -8.0606E+01 mv 6 28 86 13 0 - 4 e 314 86 etot -7.8587E+01 mv 6 28 86 95 0 - 4 e 135 103 etot -7.2251E+01 mv 6 28 162 194 0 - 4 e 313 78 etot -8.6000E+01 mv 6 28 194 94 0 - 4 e 283 91 etot -8.2330E+01 mv 6 28 69 156 0 - 4 e 387 61 etot -7.2648E+01 mv 6 28 147 75 0 - 4 e 408 85 etot -7.2914E+01 mv 6 28 86 154 0 - 4 e 267 94 etot -8.1840E+01 mv 6 28 69 6 0 - 4 e 238 102 etot -8.6806E+01 mv 6 28 162 180 0 c 162 51.6 1.4 - -1 e 1 126 etot 1.3528E+20 mv 6 28 62 96 0 - 4 e 201 108 etot -8.3972E+01 mv 6 28 162 193 0 - 4 e 441 69 etot -8.1368E+01 mv 6 28 147 4 0 - 4 e 246 109 etot -8.6806E+01 mv 6 28 162 127 0 - 4 e 314 100 etot -8.3001E+01 mv 6 28 69 180 0 - 4 e 253 110 etot -6.8882E+01 mv 6 28 162 63 0 - 4 e 237 111 etot -8.3742E+01 mv 6 28 6 53 0 - 4 e 437 93 etot -7.7898E+01 mv 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28 62 154 0 c 180 259.2 0.2 - 4 e 299 132 etot -8.0885E+01 mv 6 28 28 153 0 - 4 e 137 146 etot -7.9578E+01 mv 6 28 37 153 0 - 4 e 239 139 etot -8.2024E+01 mv 6 28 28 77 0 c 28 5.5 0.0 - 4 e 301 134 etot -7.6522E+01 mv 6 28 28 128 0 - 4 e 288 141 etot -8.2798E+01 mv 6 28 37 132 0 f 183 401.0 3.3 - 4 e 255 142 etot -7.2547E+01 mv 6 28 37 186 0 - 4 e 277 130 etot -8.3904E+01 mv 6 28 62 51 0 c 62 6.1 0.0 - 4 e 214 140 etot -8.2006E+01 mv 6 28 28 1 0 - 4 e 552 119 etot -6.8949E+01 mv 6 28 6 159 0 - 4 e 498 101 etot -8.2855E+01 mv 6 28 162 179 0 - 4 e 282 143 etot -8.1895E+01 mv 6 28 37 53 0 c 37 2.0 0.0 - 4 e 392 137 etot -7.1960E+01 mv 6 28 28 66 0 - 4 e 357 124 etot -8.0849E+01 mv 6 28 62 101 0 - 4 e 438 117 etot -8.1735E+01 mv 6 28 6 112 0 - 4 e 254 148 etot -8.1410E+01 mv 6 28 37 74 0 - 4 e 222 149 etot -7.9940E+01 mv 6 28 37 81 0 c 81 216.1 0.5 - 4 e 186 157 etot -7.5449E+01 mv 6 28 105 181 0 - 4 e 472 133 etot -7.3591E+01 mv 6 28 28 179 0 - 4 e 556 128 etot -8.4116E+01 mv 6 28 62 66 0 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6 28 41 6 0 c 6 4.2 0.0 - 4 e 386 136 etot -7.7919E+01 mv 6 28 28 95 0 - 4 e 292 164 etot -8.3746E+01 mv 6 28 41 52 0 c 41 29.2 0.9 - 4 e 333 166 etot -8.2965E+01 mv 6 28 41 11 0 - 4 e 463 158 etot -7.9317E+01 mv 6 28 105 16 0 - 4 e 261 178 etot -7.9929E+01 mv 6 28 190 60 0 - 4 e 549 154 etot -8.0868E+01 mv 6 28 105 61 0 f 187 365.8 1.4 - 4 e 165 194 etot -8.1252E+01 mv 6 28 177 81 0 c 177 2.6 0.0 - 4 e 354 172 etot -7.5361E+01 mv 6 28 190 120 0 - 4 e 276 184 etot -8.3966E+01 mv 6 28 173 76 0 - 4 e 433 167 etot -8.6404E+01 mv 6 28 41 20 0 c 41 131.2 2.7 - 4 e 219 192 etot -7.9727E+01 mv 6 28 177 75 0 - 4 e 371 174 etot -8.1917E+01 mv 6 28 190 10 0 - -1 e 1 205 etot 1.3528E+20 mv 2 28 137 -2 0 - 4 e 368 176 etot -8.2974E+01 mv 6 28 190 58 0 c 190 293.4 1.1 - -1 e 1 209 etot 1.3528E+20 mv 2 28 22 -88 0 - 4 e 449 170 etot -7.7416E+01 mv 6 28 41 38 0 - -1 e 1 211 etot 1.3528E+20 mv 2 28 176 -155 0 - 4 e 338 182 etot -8.1036E+01 mv 6 28 173 69 0 - 4 e 409 175 etot -8.2474E+01 mv 6 28 190 35 0 - 4 e 557 161 etot -7.6462E+01 mv 6 28 41 45 0 - 4 e 351 169 etot -7.5044E+01 mv 6 28 41 107 0 - 4 e 363 185 etot -7.7305E+01 mv 6 28 173 11 0 - 4 e 325 189 etot -8.1080E+01 mv 6 28 173 150 0 - -1 e 1 218 etot 1.3528E+20 mv 2 28 92 -21 0 - 4 e 506 171 etot -8.0822E+01 mv 6 28 190 87 0 f 45 400.5 1.3 - 4 e 339 168 etot -7.5411E+01 mv 6 28 41 122 0 - 4 e 231 198 etot -8.1245E+01 mv 6 28 177 76 0 - 4 e 161 201 etot -8.1031E+01 mv 2 28 137 -129 0 - 4 e 307 181 etot -7.2829E+01 mv 6 28 173 119 0 - 4 e 319 197 etot -7.8684E+01 mv 6 28 177 152 0 - 8 e 125 207 etot -6.3997E+01 mv 2 28 22 -52 0 - 4 e 245 199 etot -7.0042E+01 mv 6 28 177 183 0 - 4 e 504 177 etot -8.3712E+01 mv 6 28 190 33 0 - 4 e 547 173 etot -8.2681E+01 mv 6 28 190 129 0 f 88 387.7 3.2 - 4 e 294 188 etot -7.1367E+01 mv 6 28 173 100 0 - 4 e 377 179 etot -7.8557E+01 mv 6 28 190 13 0 - 4 e 481 186 etot -7.8068E+01 mv 6 28 173 34 0 - 4 e 229 210 etot -8.6248E+01 mv 2 28 22 -108 0 c 22 1.6 0.0 - 4 e 262 208 etot -6.6899E+01 mv 2 28 22 -172 0 - 4 e 580 180 etot -8.2748E+01 mv 6 28 190 13 0 c 88 237.6 0.1 - 4 e 308 196 etot -6.4745E+01 mv 6 28 177 200 0 - -1 e 1 235 etot 1.3528E+20 mv 2 28 147 -160 0 - 4 e 342 202 etot -6.3222E+01 mv 2 28 137 -187 0 - 4 e 300 206 etot -8.4287E+01 mv 2 28 22 -167 0 c 184 108.1 3.3 - 4 e 307 204 etot -8.1266E+01 mv 2 28 137 -21 0 c 179 287.8 0.6 - 4 e 272 215 etot -6.8505E+01 mv 2 28 176 -19 0 - 4 e 267 214 etot -7.1058E+01 mv 2 28 176 -32 0 - 4 e 420 200 etot -6.9119E+01 mv 6 28 177 87 0 - -1 e 1 243 etot 1.3528E+20 mv 2 28 86 -113 0 - 4 e 208 226 etot -8.4756E+01 mv 2 28 193 -29 0 - 4 e 321 212 etot -7.7690E+01 mv 2 28 176 -24 0 - 4 e 270 223 etot -6.8929E+01 mv 2 28 38 -194 0 - 4 e 303 220 etot -8.5672E+01 mv 2 28 92 -126 0 - 4 e 629 163 etot -8.6372E+01 mv 6 28 41 143 0 - 4 e 429 195 etot -8.0489E+01 mv 6 28 177 83 0 - 4 e 272 229 etot -8.3288E+01 mv 2 28 193 -93 0 - 4 e 141 231 etot -8.4426E+01 mv 2 28 147 -134 0 c 147 1.2 0.0 - 4 e 228 221 etot -8.5376E+01 mv 2 28 38 -52 0 - -1 e 1 252 etot 1.3528E+20 mv 2 28 162 -114 0 - 4 e 351 222 etot -6.0219E+01 mv 2 28 38 -47 0 - 4 e 167 239 etot -7.2187E+01 mv 2 28 194 -41 0 - 4 e 450 213 etot -8.3565E+01 mv 2 28 176 -9 0 - -1 e 1 257 etot 1.3528E+20 mv 2 28 6 -71 0 - 4 e 411 219 etot -7.1908E+01 mv 2 28 92 -114 0 - -1 e 1 259 etot 1.3528E+20 mv 2 28 6 -12 0 - 4 e 311 216 etot -8.0949E+01 mv 2 28 92 -119 0 - 4 e 273 237 etot -6.0148E+01 mv 2 28 194 -87 0 - -1 e 1 262 etot 1.3528E+20 mv 2 28 62 -94 0 - 4 e 216 241 etot -7.5434E+01 mv 2 28 86 -159 0 - 4 e 432 225 etot -8.2863E+01 mv 2 28 38 -99 0 - 4 e 362 232 etot -7.0148E+01 mv 2 28 147 -157 0 - 4 e 224 245 etot -8.1104E+01 mv 2 28 86 -159 0 - 4 e 319 234 etot -8.1853E+01 mv 2 28 147 -143 0 - 4 e 151 255 etot -8.5380E+01 mv 2 28 162 -170 0 - 4 e 632 203 etot -8.6622E+01 mv 2 28 137 -143 0 f 75 355.1 7.1 - 4 e 293 244 etot -7.5676E+01 mv 2 28 86 -11 0 - 4 e 552 217 etot -8.2119E+01 mv 2 28 92 -144 0 - -1 e 1 272 etot 1.3528E+20 mv 2 28 37 -156 0 - 4 e 497 227 etot -7.5216E+01 mv 2 28 193 -66 0 - 4 e 475 228 etot -5.8280E+01 mv 2 28 193 -120 0 - 4 e 453 233 etot -7.5722E+01 mv 2 28 147 -11 0 - 4 e 363 246 etot -7.2266E+01 mv 2 28 69 -100 0 - 4 e 405 240 etot -7.3903E+01 mv 2 28 194 -193 0 - 4 e 358 247 etot -6.7656E+01 mv 2 28 69 -185 0 - 4 e 368 230 etot -8.0961E+01 mv 2 28 193 -24 0 - 4 e 282 258 etot -6.2083E+01 mv 2 28 6 -5 0 - 4 e 393 248 etot -6.7189E+01 mv 2 28 69 -49 0 - 4 e 166 271 etot -8.1895E+01 mv 2 28 37 -68 0 c 37 2.0 0.0 - 4 e 386 251 etot -7.6660E+01 mv 2 28 162 -176 0 - -1 e 1 284 etot 1.3528E+20 mv 2 28 41 -78 0 - 4 e 484 224 etot -7.0248E+01 mv 2 28 38 -125 0 - 4 e 393 236 etot -8.2635E+01 mv 2 28 194 -122 0 - 4 e 249 269 etot -7.0737E+01 mv 2 28 28 -200 0 - 4 e 392 256 etot -6.5961E+01 mv 2 28 6 -93 0 - 4 e 244 274 etot -6.9933E+01 mv 2 28 37 -187 0 - 4 e 333 249 etot -6.9804E+01 mv 2 28 69 -40 0 - 4 e 286 270 etot -6.9596E+01 mv 2 28 28 -184 0 - 4 e 570 242 etot -7.3949E+01 mv 2 28 86 -162 0 - 4 e 393 260 etot -7.1239E+01 mv 2 28 6 -10 0 - 4 e 238 279 etot -8.2341E+01 mv 2 28 105 -74 0 - 4 e 690 238 etot -7.2357E+01 mv 2 28 194 -108 0 - 4 e 338 275 etot -7.7097E+01 mv 2 28 37 -177 0 - 4 e 295 278 etot -7.3897E+01 mv 2 28 105 -82 0 - 4 e 242 282 etot -7.0618E+01 mv 2 28 41 -24 0 - 4 e 353 261 etot -7.9121E+01 mv 2 28 62 -16 0 - 4 e 213 288 etot -6.5574E+01 mv 2 28 190 -171 0 - 4 e 146 286 etot -8.1863E+01 mv 2 28 190 -46 0 c 45 261.0 1.0 - 4 e 467 267 etot -7.1297E+01 mv 2 28 28 -179 0 - 4 e 485 266 etot -7.1172E+01 mv 2 28 28 -134 0 - 4 e 444 254 etot -6.7000E+01 mv 2 28 162 -161 0 - 4 e 406 277 etot -6.7470E+01 mv 2 28 105 -21 0 - 4 e 149 295 etot -8.1536E+01 mv 2 28 173 -60 0 - 4 e 246 290 etot -7.3578E+01 mv 2 28 190 -11 0 - 4 e 474 253 etot -7.7805E+01 mv 2 28 162 -14 0 - 4 e 564 268 etot -6.5547E+01 mv 2 28 28 -173 0 - 4 e 277 289 etot -6.9150E+01 mv 2 28 190 -92 0 - -1 e 1 310 etot 1.3528E+20 mv 1 28 22 -158 0 - 4 e 285 280 etot -7.7909E+01 mv 2 28 105 -65 0 - 4 e 222 287 etot -6.3692E+01 mv 2 28 190 -80 0 - 4 e 522 250 etot -7.8408E+01 mv 2 28 69 -88 0 - 4 e 201 291 etot -6.6779E+01 mv 2 28 173 -69 0 - -1 e 1 315 etot 1.3528E+20 mv 1 28 176 -179 0 - 4 e 217 296 etot -7.2818E+01 mv 2 28 177 -26 0 - 4 e 632 265 etot -8.1810E+01 mv 2 28 62 -91 0 - 4 e 321 294 etot -6.7991E+01 mv 2 28 173 -17 0 - 4 e 524 276 etot -6.8707E+01 mv 2 28 105 -17 0 - 4 e 234 299 etot -6.5697E+01 mv 2 28 177 -194 0 - 4 e 647 273 etot -6.9256E+01 mv 2 28 37 -149 0 - 4 e 735 264 etot -7.9105E+01 mv 2 28 62 -128 0 - -1 e 1 323 etot 1.3528E+20 mv 1 28 38 -55 0 - -1 e 1 324 etot 1.3528E+20 mv 1 28 38 -44 0 - 4 e 369 293 etot -7.2380E+01 mv 2 28 173 -75 0 - -1 e 1 327 etot 1.3528E+20 mv 1 28 193 -131 0 - 4 e 282 298 etot -7.0380E+01 mv 2 28 177 -185 0 - -1 e 1 329 etot 1.3528E+20 mv 1 28 193 -104 0 - 4 e 215 304 etot -8.0605E+01 mv 1 28 137 -113 0 - -1 e 1 331 etot 1.3528E+20 mv 1 28 147 -51 0 - 4 e 776 263 etot -7.2696E+01 mv 2 28 62 -161 0 - 4 e 514 281 etot -7.6895E+01 mv 2 28 41 -144 0 - 4 e 206 306 etot -8.5941E+01 mv 1 28 22 -109 0 - 4 e 264 303 etot -7.0602E+01 mv 1 28 137 -13 0 - 4 e 531 285 etot -7.6443E+01 mv 2 28 41 -143 0 - -1 e 1 337 etot 1.3528E+20 mv 1 28 194 -128 0 - 4 e 230 311 etot -8.6186E+01 mv 1 28 176 -103 0 - -1 e 1 339 etot 1.3528E+20 mv 1 28 194 -15 0 - 4 e 338 301 etot -8.1029E+01 mv 1 28 137 -111 0 - 4 e 121 334 etot -8.4426E+01 mv 1 28 147 -100 0 c 147 0.9 0.0 - 4 e 230 318 etot -5.6213E+01 mv 1 28 92 -77 0 - 4 e 184 314 etot -6.6176E+01 mv 1 28 176 -190 0 - 4 e 235 305 etot -8.0399E+01 mv 1 28 137 -114 0 - 4 e 473 297 etot -6.8102E+01 mv 2 28 177 -170 0 - 4 e 200 332 etot -6.8822E+01 mv 1 28 147 -9 0 - 4 e 270 321 etot -8.6791E+01 mv 1 28 38 -180 0 - 4 e 186 335 etot -8.4426E+01 mv 1 28 147 -88 0 - 4 e 251 326 etot -8.4756E+01 mv 1 28 193 -180 0 - -1 e 1 350 etot 1.3528E+20 mv 1 28 69 -7 0 - 4 e 284 333 etot -8.2837E+01 mv 1 28 147 -14 0 - -1 e 1 352 etot 1.3528E+20 mv 1 28 162 -177 0 - 4 e 782 283 etot -6.1734E+01 mv 2 28 41 -115 0 - -1 e 1 354 etot 1.3528E+20 mv 1 28 162 -193 0 - 4 e 692 292 etot -7.8758E+01 mv 2 28 173 -99 0 - 4 e 365 320 etot -8.5670E+01 mv 1 28 92 -159 0 - -1 e 1 357 etot 1.3528E+20 mv 1 28 6 -181 0 - -1 e 1 358 etot 1.3528E+20 mv 1 28 6 -175 0 - -1 e 1 359 etot 1.3528E+20 mv 1 28 6 -177 0 - 4 e 475 308 etot -7.1125E+01 mv 1 28 22 -170 0 - 4 e 498 307 etot -4.3511E+01 mv 1 28 22 -64 0 - 4 e 352 328 etot -8.4755E+01 mv 1 28 193 -116 0 - 4 e 365 330 etot -7.3246E+01 mv 1 28 193 -172 0 - -1 e 1 364 etot 1.3528E+20 mv 1 28 62 -53 0 - 4 e 234 343 etot -8.8555E+01 mv 1 28 86 -196 0 c 86 1.5 0.0 - 4 e 440 300 etot -8.0604E+01 mv 2 28 177 -123 0 f 114 371.4 1.1 - -1 e 1 367 etot 1.3528E+20 mv 1 28 28 -109 0 - -1 e 1 368 etot 1.3528E+20 mv 1 28 28 -117 0 - 4 e 262 342 etot -7.3401E+01 mv 1 28 86 -22 0 - 4 e 292 341 etot -8.1167E+01 mv 1 28 86 -67 0 - 4 e 172 351 etot -8.5379E+01 mv 1 28 162 -80 0 - 4 e 143 353 etot -6.7818E+01 mv 1 28 162 -197 0 - 4 e 394 313 etot -8.3881E+01 mv 1 28 176 -33 0 - 4 e 448 322 etot -7.5801E+01 mv 1 28 38 -157 0 - 4 e 416 309 etot -8.5598E+01 mv 1 28 22 -96 0 - 4 e 531 319 etot -7.8912E+01 mv 1 28 92 -199 0 - -1 e 1 376 etot 1.3528E+20 mv 1 28 105 -54 0 - 4 e 423 336 etot -8.2635E+01 mv 1 28 194 -101 0 - 4 e 483 302 etot -8.2789E+01 mv 1 28 137 -117 0 c 179 173.2 1.5 - 4 e 289 347 etot -6.8754E+01 mv 1 28 69 -180 0 - 4 e 277 348 etot -8.3187E+01 mv 1 28 69 -34 0 - 4 e 278 349 etot -8.2935E+01 mv 1 28 69 -71 0 - 4 e 447 340 etot -8.0107E+01 mv 1 28 194 -126 0 - 4 e 560 325 etot -8.6802E+01 mv 1 28 38 -194 0 - -1 e 1 385 etot 1.3528E+20 mv 1 28 41 -170 0 - 4 e 143 371 etot -8.1895E+01 mv 1 28 37 -92 0 - -1 e 1 387 etot 1.3528E+20 mv 1 28 190 -104 0 - 4 e 728 312 etot -8.3857E+01 mv 1 28 176 -17 0 - -1 e 1 389 etot 1.3528E+20 mv 1 28 190 -166 0 - 4 e 520 338 etot -7.5292E+01 mv 1 28 194 -17 0 - 4 e 278 345 etot -8.3854E+01 mv 1 28 86 -107 0 - 4 e 232 366 etot -8.2023E+01 mv 1 28 28 -32 0 - 4 e 349 360 etot -8.3285E+01 mv 1 28 6 -114 0 - -1 e 1 394 etot 1.3528E+20 mv 1 28 173 -186 0 - 4 e 139 388 etot -7.5553E+01 mv 1 28 190 -11 0 - 4 e 498 346 etot -8.3775E+01 mv 1 28 69 -50 0 - 4 e 562 316 etot -7.7780E+01 mv 1 28 92 -175 0 - 4 e 182 374 etot -7.8737E+01 mv 1 28 37 -40 0 - 4 e 270 375 etot -8.0226E+01 mv 1 28 37 -57 0 - -1 e 1 399 etot 1.3528E+20 mv 1 28 177 -27 0 - 4 e 361 365 etot -8.3903E+01 mv 1 28 62 -77 0 - 4 e 184 386 etot -8.1194E+01 mv 1 28 190 -164 0 - 4 e 318 373 etot -6.0749E+01 mv 1 28 37 -83 0 - 4 e 338 377 etot -6.6421E+01 mv 1 28 105 -135 0 - 4 e 396 370 etot -7.8876E+01 mv 1 28 28 -142 0 - 4 e 512 356 etot -7.3757E+01 mv 1 28 6 -10 0 - 4 e 287 384 etot -7.8098E+01 mv 1 28 41 -54 0 - 4 e 117 402 etot -8.6248E+01 mv 0 28 22 0 0 c 22 0.9 0.0 - 4 e 17 408 etot -8.4391E+01 mv 0 28 194 0 0 c 194 0.0 0.0 - 4 e 515 363 etot -6.8347E+01 mv 1 28 62 -55 0 - 4 e 538 355 etot -8.3017E+01 mv 1 28 162 -6 0 - 4 e 135 403 etot -8.6187E+01 mv 0 28 176 0 0 c 176 1.5 0.0 - 4 e 389 379 etot -6.7291E+01 mv 1 28 105 -117 0 - 4 e 480 344 etot -8.7276E+01 mv 1 28 86 -25 0 - 4 e 119 401 etot -8.1031E+01 mv 0 28 137 0 0 - 4 e 215 395 etot -8.1080E+01 mv 1 28 173 -37 0 - 4 e 361 383 etot -7.6561E+01 mv 1 28 41 -142 0 - 4 e 101 406 etot -8.4756E+01 mv 0 28 193 0 0 - 4 e 100 407 etot -8.4426E+01 mv 0 28 147 0 0 -## N0 total= 22 close= 11 far= 0 %acc 50.0 -## N1 total= 98 close= 4 far= 0 %acc 4.1 -## N2 total= 100 close= 6 far= 2 %acc 8.0 -## N3 total= 0 close= 0 far= 0 %acc 0.0 -## N4 total= 0 close= 0 far= 0 %acc 0.0 -## N5 total= 0 close= 0 far= 0 %acc 0.0 -## N6 total= 200 close= 35 far= 7 %acc 21.0 -## N7 total= 0 close= 0 far= 0 %acc 0.0 -## N8 total= 0 close= 0 far= 0 %acc 0.0 -## N9 total= 0 close= 0 far= 0 %acc 0.0 -##N10 total= 0 close= 0 far= 0 %acc 0.0 -##N11 total= 0 close= 0 far= 0 %acc 0.0 -##N12 total= 0 close= 0 far= 0 %acc 0.0 -##N13 total= 0 close= 0 far= 0 %acc 0.0 -##N14 total= 0 close= 0 far= 0 %acc 0.0 -##N15 total= 0 close= 0 far= 0 %acc 0.0 -##N16 total= 0 close= 0 far= 0 %acc 0.0 -##N17 total= 0 close= 0 far= 0 %acc 0.0 -##N18 total= 0 close= 0 far= 0 %acc 0.0 - Time for refresh 29 0.30 - make_var : nseed= 20 ntry= 420 - Time for make trial 30 0.07 -Nonsetup time 61.77 sec, Eval/s = 63120.20 -Time for iter 30 1.81 sec, Eval/s = 67767.17 - UPDATING 420 - 4 e 118 414 etot -8.2024E+01 mv 0 28 28 0 0 c 28 1.5 0.0 - 4 e 107 417 etot -8.2883E+01 mv 0 28 41 0 0 - 4 e 319 391 etot -8.1011E+01 mv 1 28 173 -196 0 - 4 e 532 397 etot -7.8999E+01 mv 1 28 177 -184 0 - 4 e 329 400 etot -7.7396E+01 mv 1 28 177 -151 0 - 4 e 77 418 etot -8.1863E+01 mv 0 28 190 0 0 c 45 1.3 0.0 - 4 e 467 382 etot -8.3873E+01 mv 1 28 41 -112 0 - 4 e 160 404 etot -8.5673E+01 mv 0 28 92 0 0 - 4 e 167 405 etot -8.6791E+01 mv 0 28 38 0 0 - -1 e 1 1 etot 1.3528E+20 mv 6 29 104 58 0 - 4 e 175 413 etot -8.3904E+01 mv 0 28 62 0 0 - 4 e 486 362 etot -7.4495E+01 mv 1 28 62 -81 0 - 4 e 94 419 etot -8.1536E+01 mv 0 28 173 0 0 - -1 e 1 4 etot 1.3528E+20 mv 6 29 104 78 0 - 4 e 104 409 etot -8.8555E+01 mv 0 28 86 0 0 c 86 0.9 0.0 - 4 e 523 390 etot -8.5691E+01 mv 1 28 190 -2 0 c 45 181.5 3.8 - 4 e 673 361 etot -8.1287E+01 mv 1 28 62 -143 0 - 4 e 136 411 etot -8.5380E+01 mv 0 28 162 0 0 - 4 e 125 410 etot -8.3777E+01 mv 0 28 69 0 0 c 69 2.7 0.0 - 4 e 542 381 etot -8.2882E+01 mv 1 28 41 -136 0 - 4 e 629 393 etot -5.2695E+01 mv 1 28 173 -62 0 - -1 e 1 14 etot 1.3528E+20 mv 6 29 92 84 0 - -1 e 1 16 etot 1.3528E+20 mv 6 29 92 66 0 - 4 e 535 372 etot -7.7083E+01 mv 1 28 37 -22 0 - 4 e 243 396 etot -6.8375E+01 mv 1 28 177 -149 0 - 4 e 198 412 etot -8.3286E+01 mv 0 28 6 0 0 - 4 e 122 420 etot -8.1252E+01 mv 0 28 177 0 0 c 177 1.2 0.0 - 4 e 83 415 etot -8.1895E+01 mv 0 28 37 0 0 c 37 0.9 0.0 - -1 e 1 17 etot 1.3528E+20 mv 6 29 92 117 0 - 4 e 148 416 etot -8.3852E+01 mv 0 28 105 0 0 c 105 4.1 0.0 - 4 e 734 317 etot -7.9431E+01 mv 1 28 92 -66 0 - 4 e 523 378 etot -7.6326E+01 mv 1 28 105 -123 0 - 4 e 413 392 etot -7.5501E+01 mv 1 28 173 -24 0 - 4 e 445 398 etot -6.9049E+01 mv 1 28 177 -182 0 - 4 e 301 380 etot -8.3852E+01 mv 1 28 105 -37 0 - 4 e 530 369 etot -8.3308E+01 mv 1 28 28 -176 0 c 186 308.7 1.6 - 8 e 23 23 etot -6.3998E+01 mv 6 29 75 109 0 - 4 e 145 18 etot -6.8715E+01 mv 6 29 92 130 0 - 4 e 197 8 etot -9.2233E+01 mv 6 29 104 95 0 - 4 e 168 29 etot -7.6170E+01 mv 6 29 75 115 0 - -1 e 1 40 etot 1.3528E+20 mv 6 29 38 197 0 - 4 e 193 13 etot -7.1492E+01 mv 6 29 92 97 0 - 4 e 226 7 etot -8.0161E+01 mv 6 29 104 174 0 f 90 385.9 0.6 - 4 e 213 15 etot -7.2150E+01 mv 6 29 92 107 0 - 4 e 246 36 etot -8.7046E+01 mv 6 29 38 101 0 c 38 3.4 0.0 - 4 e 248 30 etot -8.5742E+01 mv 6 29 75 183 0 - 4 e 256 12 etot -8.7142E+01 mv 6 29 92 144 0 c 92 5.9 0.0 - 4 e 264 33 etot -8.3879E+01 mv 6 29 38 80 0 - 4 e 261 11 etot -7.6919E+01 mv 6 29 92 153 0 - 4 e 326 6 etot -8.0485E+01 mv 6 29 104 76 0 f 148 354.8 0.9 - 4 e 318 5 etot -8.3854E+01 mv 6 29 104 160 0 - -1 e 1 51 etot 1.3528E+20 mv 6 29 5 94 0 - 4 e 268 25 etot -8.7631E+01 mv 6 29 75 8 0 - 4 e 314 35 etot -7.7556E+01 mv 6 29 38 170 0 - 4 e 287 10 etot -9.2233E+01 mv 6 29 104 41 0 - 4 e 313 19 etot -8.1767E+01 mv 6 29 92 103 0 c 103 223.0 2.1 - -1 e 1 56 etot 1.3528E+20 mv 6 29 5 181 0 - 4 e 251 37 etot -8.5763E+01 mv 6 29 38 58 0 - 4 e 317 32 etot -8.0353E+01 mv 6 29 38 118 0 - 4 e 320 20 etot -8.6123E+01 mv 6 29 92 17 0 c 195 137.9 2.7 - -1 e 1 60 etot 1.3528E+20 mv 6 29 5 90 0 - -1 e 1 61 etot 1.3528E+20 mv 6 29 184 117 0 - 4 e 327 21 etot -7.9237E+01 mv 6 29 75 94 0 - -1 e 1 58 etot 1.3528E+20 mv 6 29 5 187 0 - 4 e 334 24 etot -7.8461E+01 mv 6 29 75 106 0 - -1 e 1 65 etot 1.3528E+20 mv 6 29 184 150 0 - 4 e 346 34 etot -8.7100E+01 mv 6 29 38 149 0 c 38 32.4 0.1 - 4 e 230 38 etot -7.4178E+01 mv 6 29 38 91 0 - 4 e 154 50 etot -8.7147E+01 mv 6 29 46 36 0 c 36 198.2 2.3 - -1 e 1 69 etot 1.3528E+20 mv 6 29 184 97 0 - 4 e 257 43 etot -7.9937E+01 mv 6 29 46 8 0 f 129 481.9 0.3 - -1 e 1 71 etot 1.3528E+20 mv 6 29 80 82 0 - 4 e 401 3 etot -8.3209E+01 mv 6 29 104 127 0 c 179 270.8 0.4 - 4 e 421 2 etot -9.1865E+01 mv 6 29 104 15 0 - 4 e 398 26 etot -8.6623E+01 mv 6 29 75 105 0 c 75 2.8 0.0 - 4 e 223 42 etot -7.2352E+01 mv 6 29 46 157 0 - 4 e 536 22 etot -8.6622E+01 mv 6 29 75 32 0 - 4 e 425 27 etot -7.5156E+01 mv 6 29 75 93 0 - 4 e 269 52 etot -8.3286E+01 mv 6 29 5 6 0 - -1 e 1 79 etot 7.9604E+20 mv 6 29 80 132 0 - 4 e 183 46 etot -8.0752E+01 mv 6 29 46 123 0 f 56 447.8 1.1 - -1 e 1 81 etot 1.3528E+20 mv 6 29 149 150 0 - 4 e 188 48 etot -8.7421E+01 mv 6 29 46 54 0 c 36 41.1 0.3 - 4 e 301 41 etot -7.6639E+01 mv 6 29 46 13 0 - 4 e 209 44 etot -8.7421E+01 mv 6 29 46 70 0 - 8 e 236 45 etot -6.3999E+01 mv 6 29 46 106 0 - 4 e 479 31 etot -7.6439E+01 mv 6 29 38 136 0 - 4 e 172 67 etot -6.7892E+01 mv 6 29 184 173 0 - 4 e 286 55 etot -8.5428E+01 mv 6 29 5 3 0 c 5 2.5 0.0 - 4 e 216 66 etot -6.7954E+01 mv 6 29 184 95 0 - 4 e 189 72 etot -8.3887E+01 mv 6 29 80 161 0 c 80 7.6 0.0 - 4 e 211 70 etot -8.1894E+01 mv 6 29 184 37 0 - 4 e 273 47 etot -8.2378E+01 mv 6 29 46 170 0 - 4 e 369 39 etot -7.7352E+01 mv 6 29 38 68 0 - 4 e 117 80 etot -8.9605E+01 mv 6 29 80 84 0 c 84 2.0 0.0 - 4 e 225 62 etot -7.0961E+01 mv 6 29 184 140 0 - 4 e 512 28 etot -8.4924E+01 mv 6 29 75 84 0 - 4 e 341 53 etot -8.5429E+01 mv 6 29 5 198 0 c 5 30.6 0.0 - 4 e 164 78 etot -8.1795E+01 mv 6 29 80 3 0 - 4 e 604 9 etot -9.2228E+01 mv 6 29 104 160 0 - 4 e 240 57 etot -8.5428E+01 mv 6 29 5 139 0 - 4 e 226 63 etot -8.4186E+01 mv 6 29 184 137 0 - 4 e 315 49 etot -7.9493E+01 mv 6 29 46 93 0 - 4 e 298 54 etot -8.3491E+01 mv 6 29 5 103 0 - 4 e 263 59 etot -7.4494E+01 mv 6 29 5 127 0 - 4 e 306 76 etot -7.7800E+01 mv 6 29 80 91 0 - 4 e 251 84 etot -8.2962E+01 mv 6 29 149 184 0 - 4 e 346 74 etot -7.6182E+01 mv 6 29 80 1 0 - -1 e 1 108 etot 1.3528E+20 mv 6 29 183 156 0 - 4 e 208 83 etot -7.9615E+01 mv 6 29 149 56 0 - 4 e 352 77 etot -8.6858E+01 mv 6 29 80 124 0 - 4 e 293 85 etot -8.4858E+01 mv 6 29 149 144 0 - 4 e 165 102 etot -7.1596E+01 mv 6 29 183 186 0 - 4 e 387 75 etot -8.1069E+01 mv 6 29 80 115 0 - 4 e 213 98 etot -7.7204E+01 mv 6 29 154 153 0 - 4 e 523 64 etot -7.9382E+01 mv 6 29 184 186 0 - 4 e 225 99 etot -8.0852E+01 mv 6 29 154 89 0 c 89 37.7 0.2 - 4 e 243 86 etot -7.6002E+01 mv 6 29 149 48 0 - 4 e 148 107 etot -8.1568E+01 mv 6 29 183 30 0 - 4 e 295 95 etot -8.0079E+01 mv 6 29 154 160 0 - 4 e 156 104 etot -8.2798E+01 mv 6 29 183 142 0 c 183 1.3 0.0 - 4 e 348 92 etot -7.5653E+01 mv 6 29 154 105 0 - 4 e 353 91 etot -7.8131E+01 mv 6 29 154 61 0 - 4 e 283 101 etot -8.3082E+01 mv 6 29 183 137 0 - 4 e 322 100 etot -8.3431E+01 mv 6 29 154 195 0 - 4 e 281 82 etot -8.0028E+01 mv 6 29 149 80 0 - -1 e 1 126 etot 1.3528E+20 mv 6 29 78 185 0 - 4 e 589 73 etot -7.6613E+01 mv 6 29 80 93 0 - 4 e 261 106 etot -8.7463E+01 mv 6 29 183 88 0 c 183 183.3 4.7 - 4 e 539 68 etot -7.9016E+01 mv 6 29 184 146 0 - 4 e 364 96 etot -8.4382E+01 mv 6 29 154 95 0 - 4 e 99 118 etot -8.3384E+01 mv 6 29 62 157 0 c 157 0.2 0.0 - -1 e 1 132 etot 1.3528E+20 mv 6 29 51 10 0 - 4 e 402 103 etot -7.8100E+01 mv 6 29 183 196 0 - 4 e 234 113 etot -8.4154E+01 mv 6 29 62 145 0 c 62 47.5 0.0 - 4 e 261 116 etot -7.2870E+01 mv 6 29 62 167 0 - 4 e 284 114 etot -7.4079E+01 mv 6 29 62 63 0 - 4 e 334 112 etot -7.5006E+01 mv 6 29 62 175 0 - 4 e 551 90 etot -8.3381E+01 mv 6 29 149 192 0 c 94 127.8 0.2 - 4 e 369 87 etot -8.1562E+01 mv 6 29 149 193 0 - 4 e 404 88 etot -7.5081E+01 mv 6 29 149 189 0 - 4 e 582 89 etot -7.8562E+01 mv 6 29 149 187 0 - 4 e 340 115 etot -8.4536E+01 mv 6 29 62 161 0 c 62 128.2 0.4 - 4 e 193 128 etot -7.2428E+01 mv 6 29 78 152 0 - 4 e 607 93 etot -8.0899E+01 mv 6 29 154 42 0 - 4 e 208 129 etot -8.1887E+01 mv 6 29 78 110 0 - 4 e 297 110 etot -7.7810E+01 mv 6 29 183 66 0 - 4 e 368 97 etot -8.4381E+01 mv 6 29 154 186 0 - 4 e 314 119 etot -8.1771E+01 mv 6 29 62 169 0 - 4 e 468 109 etot -8.2796E+01 mv 6 29 183 26 0 - 4 e 289 124 etot -8.2797E+01 mv 6 29 78 11 0 c 78 4.1 0.0 - -1 e 1 150 etot 1.3528E+20 mv 6 29 73 193 0 - 4 e 374 123 etot -6.6182E+01 mv 6 29 78 150 0 - 4 e 389 122 etot -7.8327E+01 mv 6 29 78 100 0 - -1 e 1 154 etot 1.3528E+20 mv 6 29 193 128 0 - 4 e 269 135 etot -7.5980E+01 mv 6 29 51 82 0 - 4 e 750 94 etot -7.9637E+01 mv 6 29 154 2 0 - 4 e 508 117 etot -7.7944E+01 mv 6 29 62 178 0 - 4 e 347 131 etot -8.2641E+01 mv 6 29 51 192 0 c 51 4.4 0.0 - 4 e 578 111 etot -8.2570E+01 mv 6 29 62 45 0 - 4 e 350 130 etot -8.3265E+01 mv 6 29 78 185 0 c 78 166.0 0.5 - 4 e 305 121 etot -8.2573E+01 mv 6 29 78 146 0 c 146 259.8 1.3 - -1 e 1 162 etot 1.3528E+20 mv 6 29 190 109 0 - 4 e 211 143 etot -7.3604E+01 mv 6 29 73 15 0 - 4 e 304 136 etot -8.4275E+01 mv 6 29 51 115 0 - -1 e 1 165 etot 1.3528E+20 mv 6 29 190 112 0 - 4 e 296 137 etot -8.4241E+01 mv 6 29 51 109 0 - 4 e 293 138 etot -7.8558E+01 mv 6 29 51 73 0 - 4 e 151 147 etot -8.0233E+01 mv 6 29 73 122 0 c 122 6.3 0.0 - 4 e 269 144 etot -8.5060E+01 mv 6 29 73 121 0 c 198 88.4 0.0 - 8 e 18 167 etot -6.3988E+01 mv 6 29 190 133 0 - 4 e 314 127 etot -8.2331E+01 mv 6 29 78 85 0 - 4 e 549 120 etot -8.1227E+01 mv 6 29 62 200 0 f 118 455.7 1.6 - 4 e 275 146 etot -7.1508E+01 mv 6 29 73 137 0 - 4 e 199 140 etot -7.6436E+01 mv 6 29 51 137 0 - 4 e 350 139 etot -8.4282E+01 mv 6 29 51 21 0 c 51 70.6 1.6 - 4 e 339 142 etot -7.4885E+01 mv 6 29 73 143 0 - 4 e 147 159 etot -8.4890E+01 mv 6 29 193 36 0 - 4 e 339 133 etot -8.4202E+01 mv 6 29 51 145 0 - 4 e 466 134 etot -8.2449E+01 mv 6 29 51 129 0 c 10 254.6 0.5 - 4 e 143 164 etot -8.3230E+01 mv 6 29 190 94 0 - 4 e 297 151 etot -8.3709E+01 mv 6 29 193 30 0 - 4 e 278 141 etot -7.0313E+01 mv 6 29 73 59 0 - 4 e 191 158 etot -8.4534E+01 mv 6 29 193 149 0 - 4 e 393 152 etot -8.5705E+01 mv 6 29 193 17 0 c 193 3.7 0.0 - 4 e 319 153 etot -8.0543E+01 mv 6 29 193 28 0 - 4 e 222 166 etot -8.2979E+01 mv 6 29 190 128 0 c 190 3.7 0.0 - 4 e 291 157 etot -8.5704E+01 mv 6 29 193 101 0 - 4 e 691 125 etot -8.2471E+01 mv 6 29 78 10 0 - 4 e 406 149 etot -8.0561E+01 mv 6 29 73 87 0 c 87 289.6 0.3 - 4 e 323 156 etot -7.3696E+01 mv 6 29 193 124 0 - 4 e 467 145 etot -7.6569E+01 mv 6 29 73 31 0 - 4 e 184 174 etot -6.7944E+01 mv 6 29 88 148 0 - 4 e 214 173 etot -6.9406E+01 mv 6 29 88 102 0 - 4 e 606 105 etot -7.3653E+01 mv 6 29 183 198 0 - 4 e 369 155 etot -8.5704E+01 mv 6 29 193 89 0 - 8 e 2 195 etot -6.4000E+01 mv 6 29 61 58 0 - -1 e 1 197 etot 1.3528E+20 mv 6 29 61 47 0 - 4 e 367 160 etot -7.6571E+01 mv 6 29 193 133 0 - 4 e 291 171 etot -6.9374E+01 mv 6 29 88 68 0 - -1 e 1 199 etot 2.0315E+20 mv 6 29 61 82 0 - 4 e 322 177 etot -6.9494E+01 mv 6 29 88 121 0 - -1 e 1 202 etot 1.3528E+20 mv 2 29 104 -136 0 - 4 e 176 189 etot -7.8354E+01 mv 6 29 33 65 0 - 4 e 283 182 etot -8.1442E+01 mv 6 29 33 11 0 - 4 e 303 180 etot -7.7763E+01 mv 6 29 88 37 0 - 4 e 342 176 etot -7.7385E+01 mv 6 29 88 173 0 - -1 e 1 207 etot 3.3295E+27 mv 2 29 92 -52 0 - 4 e 347 178 etot -8.2749E+01 mv 6 29 88 82 0 c 88 5.0 0.0 - 4 e 224 183 etot -7.4625E+01 mv 6 29 33 110 0 - 4 e 213 192 etot -7.3442E+01 mv 6 29 61 106 0 - 4 e 243 175 etot -8.7232E+01 mv 6 29 88 174 0 - -1 e 1 212 etot 3.4764E+23 mv 2 29 75 -28 0 - -1 e 1 213 etot 1.3528E+20 mv 2 29 75 -104 0 - 4 e 250 185 etot -8.2496E+01 mv 6 29 33 67 0 - 4 e 456 170 etot -8.3314E+01 mv 6 29 190 19 0 c 190 150.9 0.3 - 4 e 254 188 etot -7.2411E+01 mv 6 29 33 171 0 - 4 e 179 200 etot -6.5684E+01 mv 6 29 61 173 0 - 4 e 366 184 etot -7.6877E+01 mv 6 29 33 53 0 - 4 e 407 181 etot -8.0914E+01 mv 6 29 33 18 0 c 18 31.2 0.3 - 4 e 588 161 etot -8.3999E+01 mv 6 29 190 170 0 - 4 e 303 191 etot -8.5084E+01 mv 6 29 61 180 0 - -1 e 1 222 etot 1.3528E+20 mv 2 29 46 -65 0 - 4 e 312 193 etot -7.8879E+01 mv 6 29 61 86 0 - 4 e 259 201 etot -9.0776E+01 mv 2 29 104 -161 0 - -1 e 1 225 etot 1.3528E+20 mv 2 29 46 -44 0 - 4 e 367 187 etot -8.0800E+01 mv 6 29 33 85 0 - 4 e 598 168 etot -8.2088E+01 mv 6 29 190 113 0 - -1 e 1 228 etot 1.3528E+20 mv 2 29 5 -10 0 - 4 e 356 194 etot -7.3157E+01 mv 6 29 61 89 0 - 4 e 174 211 etot -8.6624E+01 mv 2 29 75 -94 0 c 75 1.6 0.0 - -1 e 1 231 etot 1.3528E+20 mv 2 29 184 -177 0 - 4 e 483 163 etot -8.1684E+01 mv 6 29 190 70 0 - 4 e 449 169 etot -7.4404E+01 mv 6 29 190 178 0 - -1 e 1 233 etot 1.3528E+20 mv 2 29 184 -129 0 - 4 e 246 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-6.3995E+01 mv 2 29 51 -33 0 - 4 e 385 248 etot -6.7003E+01 mv 2 29 154 -120 0 - 4 e 246 259 etot -7.0248E+01 mv 2 29 62 -172 0 - 4 e 377 234 etot -6.5267E+01 mv 2 29 184 -55 0 - 4 e 513 210 etot -6.5978E+01 mv 2 29 92 -199 0 - 4 e 652 223 etot -7.3004E+01 mv 2 29 46 -115 0 - 4 e 635 226 etot -8.3898E+01 mv 2 29 5 -193 0 c 65 258.0 2.9 - -1 e 1 282 etot 1.3528E+20 mv 2 29 190 -21 0 - -1 e 1 283 etot 1.3528E+20 mv 2 29 190 -175 0 - 4 e 518 241 etot -8.4807E+01 mv 2 29 149 -200 0 - 4 e 489 243 etot -7.6602E+01 mv 2 29 149 -199 0 - 4 e 640 198 etot -8.0022E+01 mv 6 29 61 135 0 - 4 e 328 256 etot -7.7535E+01 mv 2 29 62 -67 0 - 4 e 207 268 etot -7.2535E+01 mv 2 29 51 -155 0 - 4 e 271 261 etot -8.1271E+01 mv 2 29 78 -169 0 - 4 e 391 254 etot -6.8659E+01 mv 2 29 183 -50 0 - 4 e 749 224 etot -7.7427E+01 mv 2 29 46 -111 0 - 4 e 370 247 etot -5.9903E+01 mv 2 29 154 -167 0 - 4 e 469 250 etot -7.5700E+01 mv 2 29 154 -90 0 - 4 e 317 266 etot -7.4698E+01 mv 2 29 51 -13 0 - 4 e 197 276 etot -8.5705E+01 mv 2 29 193 -11 0 c 193 2.0 0.0 - 4 e 368 265 etot -7.8283E+01 mv 2 29 78 -105 0 - 4 e 184 281 etot -8.2979E+01 mv 2 29 190 -58 0 - 4 e 150 289 etot -6.6763E+01 mv 2 29 88 -57 0 - 4 e 501 253 etot -7.7682E+01 mv 2 29 183 -121 0 - 4 e 242 277 etot -5.7160E+01 mv 2 29 193 -85 0 - 4 e 221 284 etot -6.9392E+01 mv 2 29 190 -84 0 - 4 e 379 269 etot -8.3580E+01 mv 2 29 51 -9 0 - 4 e 188 290 etot -7.0629E+01 mv 2 29 88 -77 0 - -1 e 1 303 etot 1.3528E+20 mv 1 29 104 -147 0 - 4 e 291 278 etot -7.1577E+01 mv 2 29 193 -12 0 - 4 e 197 292 etot -7.2574E+01 mv 2 29 33 -151 0 - -1 e 1 307 etot 1.3528E+20 mv 1 29 92 -103 0 - 4 e 550 260 etot -8.3995E+01 mv 2 29 62 -92 0 - 4 e 461 270 etot -8.0448E+01 mv 2 29 51 -11 0 - 4 e 452 272 etot -6.2561E+01 mv 2 29 73 -193 0 - 4 e 253 279 etot -6.9549E+01 mv 2 29 193 -175 0 - 4 e 528 263 etot -6.4981E+01 mv 2 29 78 -188 0 - 4 e 227 299 etot -7.9870E+01 mv 2 29 61 -82 0 f 185 449.0 0.1 - 4 e 346 274 etot -8.1539E+01 mv 2 29 73 -126 0 - 4 e 217 301 etot -9.1439E+01 mv 1 29 104 -90 0 - 4 e 532 273 etot -6.7356E+01 mv 2 29 73 -103 0 - 4 e 404 286 etot -8.4022E+01 mv 2 29 88 -151 0 - 4 e 432 264 etot -7.5311E+01 mv 2 29 78 -196 0 - 4 e 226 293 etot -8.0592E+01 mv 2 29 33 -126 0 - 4 e 296 287 etot -6.7788E+01 mv 2 29 88 -57 0 - 4 e 288 296 etot -7.3768E+01 mv 2 29 61 -129 0 - 4 e 190 306 etot -8.7256E+01 mv 1 29 92 -113 0 c 92 16.0 0.1 - 4 e 276 300 etot -7.0128E+01 mv 2 29 61 -138 0 - 4 e 435 288 etot -8.3350E+01 mv 2 29 88 -47 0 - 4 e 222 305 etot -9.2233E+01 mv 1 29 104 -118 0 - 4 e 559 275 etot -7.4987E+01 mv 2 29 73 -71 0 - 4 e 371 294 etot -8.1325E+01 mv 2 29 33 -131 0 - 4 e 417 295 etot -7.6074E+01 mv 2 29 33 -170 0 - 4 e 568 285 etot -7.6444E+01 mv 2 29 190 -129 0 - 4 e 169 314 etot -8.3293E+01 mv 1 29 75 -65 0 - 4 e 292 309 etot -8.5672E+01 mv 1 29 92 -148 0 - 4 e 429 298 etot -7.1400E+01 mv 2 29 61 -139 0 - 4 e 280 313 etot -8.6294E+01 mv 1 29 75 -102 0 - 4 e 667 251 etot -7.9919E+01 mv 2 29 183 -69 0 - 4 e 200 318 etot 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0 - 4 e 672 271 etot -7.6294E+01 mv 2 29 73 -44 0 - 4 e 397 325 etot -7.8783E+01 mv 1 29 46 -182 0 - 4 e 619 280 etot -6.9391E+01 mv 2 29 193 -63 0 - 4 e 314 331 etot -8.2412E+01 mv 1 29 184 -80 0 - 4 e 590 311 etot -7.9289E+01 mv 1 29 75 -173 0 - 4 e 679 304 etot -8.1860E+01 mv 1 29 104 -59 0 - 4 e 221 350 etot -8.4092E+01 mv 1 29 154 -77 0 c 154 24.7 0.4 - 4 e 386 333 etot -6.6172E+01 mv 1 29 184 -91 0 - 4 e 311 341 etot -8.5448E+01 mv 1 29 149 -48 0 - 4 e 396 334 etot -7.4533E+01 mv 1 29 184 -48 0 - 4 e 218 340 etot -8.3348E+01 mv 1 29 80 -1 0 - 4 e 345 339 etot -7.5193E+01 mv 1 29 80 -109 0 - 4 e 264 349 etot -8.3668E+01 mv 1 29 154 -37 0 - -1 e 1 368 etot 1.3528E+20 mv 1 29 51 -76 0 - 4 e 268 348 etot -8.1360E+01 mv 1 29 154 -83 0 - -1 e 1 371 etot 1.3528E+20 mv 1 29 73 -200 0 - 4 e 472 312 etot -8.1945E+01 mv 1 29 75 -74 0 - -1 e 1 372 etot 1.3528E+20 mv 1 29 73 -146 0 - 4 e 319 342 etot -7.5629E+01 mv 1 29 149 -54 0 - 4 e 325 343 etot -8.5448E+01 mv 1 29 149 -96 0 - 4 e 322 335 etot -8.0715E+01 mv 1 29 184 -146 0 - 4 e 300 353 etot -8.7463E+01 mv 1 29 183 -72 0 c 183 2.3 0.0 - 4 e 519 330 etot -8.5427E+01 mv 1 29 5 -136 0 - 4 e 211 361 etot -6.3144E+01 mv 1 29 78 -8 0 - -1 e 1 380 etot 1.3528E+20 mv 1 29 193 -64 0 - 4 e 349 352 etot -7.7328E+01 mv 1 29 183 -176 0 - 4 e 479 338 etot -7.3414E+01 mv 1 29 80 -112 0 - 4 e 279 344 etot -8.5447E+01 mv 1 29 149 -116 0 - 4 e 499 319 etot -7.4472E+01 mv 1 29 38 -105 0 - 4 e 166 364 etot -6.1572E+01 mv 1 29 78 -185 0 - 4 e 545 332 etot -5.4041E+01 mv 1 29 184 -45 0 - -1 e 1 387 etot 1.3528E+20 mv 1 29 88 -123 0 - 4 e 379 355 etot -7.4566E+01 mv 1 29 183 -144 0 - 4 e 286 360 etot -8.4116E+01 mv 1 29 62 -5 0 - 4 e 218 366 etot -8.2642E+01 mv 1 29 51 -104 0 - 4 e 538 320 etot -8.7045E+01 mv 1 29 38 -36 0 - 4 e 188 375 etot -6.8286E+01 mv 1 29 73 -164 0 - -1 e 1 393 etot 1.3528E+20 mv 1 29 33 -193 0 - 4 e 467 351 etot -8.2796E+01 mv 1 29 183 -148 0 - 4 e 465 354 etot -7.3260E+01 mv 1 29 183 -30 0 - 4 e 409 356 etot -8.2156E+01 mv 1 29 62 -2 0 - 4 e 515 347 etot -6.6441E+01 mv 1 29 154 -153 0 - 4 e 278 370 etot -8.1713E+01 mv 1 29 51 -89 0 - 4 e 349 359 etot -8.4351E+01 mv 1 29 62 -31 0 - 4 e 267 381 etot -8.2979E+01 mv 1 29 190 -154 0 - 4 e 226 390 etot -7.2321E+01 mv 1 29 88 -179 0 - 4 e 175 396 etot -8.2414E+01 mv 1 29 61 -63 0 c 61 5.4 0.1 - 4 e 200 391 etot -8.1049E+01 mv 1 29 33 -192 0 - 4 e 393 357 etot -8.5653E+01 mv 1 29 62 -100 0 - 4 e 200 394 etot -7.1484E+01 mv 1 29 33 -171 0 - 4 e 406 369 etot -7.8276E+01 mv 1 29 51 -48 0 - 4 e 358 378 etot -7.0190E+01 mv 1 29 193 -124 0 - 4 e 361 379 etot -8.2366E+01 mv 1 29 193 -53 0 - 4 e 547 362 etot -7.7665E+01 mv 1 29 78 -12 0 - 4 e 601 358 etot -7.5050E+01 mv 1 29 62 -164 0 - 4 e 472 365 etot -7.2433E+01 mv 1 29 78 -167 0 - 4 e 24 408 etot -8.3849E+01 mv 0 29 80 0 0 - 4 e 230 395 etot -8.2497E+01 mv 1 29 33 -163 0 c 33 2.3 0.0 - 4 e 101 401 etot -9.2233E+01 mv 0 29 104 0 0 c 104 0.4 0.0 - 4 e 538 374 etot -8.2877E+01 mv 1 29 73 -30 0 - 4 e 111 406 etot -8.5429E+01 mv 0 29 5 0 0 - 4 e 620 363 etot -8.2796E+01 mv 1 29 78 -6 0 - 4 e 86 402 etot -8.7110E+01 mv 0 29 92 0 0 - 4 e 140 412 etot -8.4117E+01 mv 0 29 62 0 0 -## N0 total= 19 close= 8 far= 0 %acc 42.1 -## N1 total= 101 close= 8 far= 0 %acc 7.9 -## N2 total= 100 close= 5 far= 2 %acc 7.0 -## N3 total= 0 close= 0 far= 0 %acc 0.0 -## N4 total= 0 close= 0 far= 0 %acc 0.0 -## N5 total= 0 close= 0 far= 0 %acc 0.0 -## N6 total= 200 close= 34 far= 5 %acc 19.5 -## N7 total= 0 close= 0 far= 0 %acc 0.0 -## N8 total= 0 close= 0 far= 0 %acc 0.0 -## N9 total= 0 close= 0 far= 0 %acc 0.0 -##N10 total= 0 close= 0 far= 0 %acc 0.0 -##N11 total= 0 close= 0 far= 0 %acc 0.0 -##N12 total= 0 close= 0 far= 0 %acc 0.0 -##N13 total= 0 close= 0 far= 0 %acc 0.0 -##N14 total= 0 close= 0 far= 0 %acc 0.0 -##N15 total= 0 close= 0 far= 0 %acc 0.0 -##N16 total= 0 close= 0 far= 0 %acc 0.0 -##N17 total= 0 close= 0 far= 0 %acc 0.0 -##N18 total= 0 close= 0 far= 0 %acc 0.0 - Time for refresh 30 0.29 - make_var : nseed= 20 ntry= 420 - Time for make trial 31 0.07 -Nonsetup time 63.62 sec, Eval/s = 63266.44 -Time for iter 31 1.85 sec, Eval/s = 68155.53 - UPDATING 420 - 4 e 560 382 etot -7.7093E+01 mv 1 29 190 -138 0 - 4 e 162 413 etot -8.2798E+01 mv 0 29 78 0 0 - 4 e 98 416 etot -8.5705E+01 mv 0 29 193 0 0 c 193 1.0 0.0 - 4 e 260 417 etot -8.2980E+01 mv 0 29 190 0 0 - 4 e 108 418 etot -8.2749E+01 mv 0 29 88 0 0 c 88 2.7 0.0 - 4 e 93 419 etot -8.2497E+01 mv 0 29 33 0 0 c 33 1.3 0.0 - 4 e 494 397 etot -7.5150E+01 mv 1 29 61 -34 0 - 4 e 157 420 etot -8.2324E+01 mv 0 29 61 0 0 - 4 e 104 415 etot -8.3748E+01 mv 0 29 73 0 0 c 73 1.1 0.0 - 4 e 405 383 etot -8.3399E+01 mv 1 29 190 -23 0 c 190 229.0 0.1 - 4 e 347 388 etot -7.7807E+01 mv 1 29 88 -128 0 - 4 e 474 389 etot -8.1935E+01 mv 1 29 88 -188 0 - 4 e 110 411 etot -8.2798E+01 mv 0 29 183 0 0 - 4 e 110 410 etot -8.3669E+01 mv 0 29 154 0 0 - 4 e 76 407 etot -8.4287E+01 mv 0 29 184 0 0 c 184 0.4 0.0 - -1 e 1 5 etot 1.3528E+20 mv 6 30 10 113 0 - 4 e 400 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-8.2334E+01 mv 1 30 45 -170 0 - 4 e 553 292 etot -7.9288E+01 mv 2 30 187 -137 0 - 4 e 531 296 etot -7.6819E+01 mv 2 30 26 -190 0 - 4 e 322 338 etot -6.8962E+01 mv 1 30 80 -130 0 - -1 e 1 363 etot 1.3528E+20 mv 1 30 78 -56 0 - 4 e 525 323 etot -8.1791E+01 mv 1 30 45 -122 0 - 4 e 318 339 etot -7.6463E+01 mv 1 30 80 -133 0 - 4 e 512 326 etot -8.5890E+01 mv 1 30 2 -133 0 c 2 118.2 0.6 - 4 e 442 332 etot -7.5942E+01 mv 1 30 65 -100 0 - 4 e 365 336 etot -8.3920E+01 mv 1 30 80 -96 0 - 4 e 313 341 etot -8.5596E+01 mv 1 30 38 -92 0 - 4 e 305 349 etot -6.4849E+01 mv 1 30 197 -63 0 - 4 e 341 337 etot -6.8574E+01 mv 1 30 80 -108 0 - 4 e 148 356 etot -8.2909E+01 mv 1 30 186 -140 0 - 4 e 447 340 etot -8.3886E+01 mv 1 30 80 -153 0 - 4 e 406 347 etot -7.9082E+01 mv 1 30 197 -143 0 - 4 e 511 335 etot -8.4142E+01 mv 1 30 65 -39 0 c 65 165.5 0.2 - 4 e 125 369 etot -6.0192E+01 mv 1 30 91 -149 0 - 4 e 209 357 etot -8.2285E+01 mv 1 30 186 -82 0 - 4 e 282 352 etot -7.3386E+01 mv 1 30 94 -53 0 - 4 e 446 333 etot -8.2020E+01 mv 1 30 65 -73 0 f 142 406.7 2.1 - 4 e 166 355 etot -8.3382E+01 mv 1 30 94 -25 0 - 4 e 641 328 etot -6.6493E+01 mv 1 30 2 -150 0 - 4 e 423 348 etot -8.4646E+01 mv 1 30 197 -146 0 - 4 e 655 329 etot -8.6365E+01 mv 1 30 2 -76 0 c 2 330.0 0.5 - 4 e 161 371 etot -6.6890E+01 mv 1 30 167 -134 0 - 4 e 237 366 etot -7.2183E+01 mv 1 30 91 -104 0 - 4 e 448 350 etot -7.2936E+01 mv 1 30 197 -68 0 - 4 e 204 370 etot -8.1938E+01 mv 1 30 91 -7 0 c 91 3.3 0.0 - 4 e 398 343 etot -8.4148E+01 mv 1 30 38 -19 0 - 4 e 233 373 etot -7.3225E+01 mv 1 30 167 -38 0 - 4 e 414 353 etot -7.4906E+01 mv 1 30 94 -133 0 - 4 e 255 372 etot -6.1433E+01 mv 1 30 167 -150 0 - -1 e 1 392 etot 1.3528E+20 mv 1 30 187 -53 0 - -1 e 1 393 etot 1.6162E+23 mv 1 30 187 -92 0 - 4 e 314 367 etot -8.2533E+01 mv 1 30 91 -132 0 c 91 18.7 0.6 - 4 e 200 375 etot -8.1622E+01 mv 1 30 167 -183 0 - 4 e 266 360 etot -8.3016E+01 mv 1 30 186 -68 0 - 4 e 203 376 etot -7.9617E+01 mv 1 30 7 -72 0 - -1 e 1 398 etot 1.3528E+20 mv 1 30 26 -135 0 - -1 e 1 399 etot 1.3528E+20 mv 1 30 26 -104 0 - 4 e 336 368 etot -7.6029E+01 mv 1 30 91 -89 0 - 4 e 642 342 etot -7.8478E+01 mv 1 30 38 -54 0 - 8 e 367 365 etot -6.3985E+01 mv 1 30 78 -179 0 - 4 e 235 374 etot -8.1620E+01 mv 1 30 167 -130 0 - 4 e 415 364 etot -8.0207E+01 mv 1 30 78 -137 0 - 4 e 470 359 etot -7.5825E+01 mv 1 30 186 -115 0 - 4 e 261 379 etot -8.0998E+01 mv 1 30 7 -151 0 - 4 e 358 354 etot -8.3380E+01 mv 1 30 94 -144 0 - 4 e 76 402 etot -8.7256E+01 mv 0 30 92 0 0 - 4 e 417 351 etot -8.3381E+01 mv 1 30 94 -71 0 - 4 e 107 401 etot -8.2451E+01 mv 0 30 10 0 0 c 10 1.0 0.0 - 4 e 83 405 etot -8.5692E+01 mv 0 30 45 0 0 c 45 1.6 0.0 - 4 e 114 404 etot -8.7421E+01 mv 0 30 36 0 0 c 36 0.8 0.0 - 4 e 119 403 etot -8.8087E+01 mv 0 30 101 0 0 c 101 1.7 0.0 - 4 e 613 334 etot -8.4329E+01 mv 1 30 65 -150 0 c 65 69.9 0.2 - 4 e 108 406 etot -8.5259E+01 mv 0 30 2 0 0 - 4 e 298 386 etot -8.0778E+01 mv 1 30 85 -89 0 - 4 e 71 408 etot -8.3887E+01 mv 0 30 80 0 0 - 4 e 126 407 etot -8.3900E+01 mv 0 30 65 0 0 - 4 e 416 361 etot -8.1216E+01 mv 1 30 78 -160 0 -## N0 total= 23 close= 12 far= 0 %acc 52.2 -## N1 total= 97 close= 14 far= 2 %acc 16.5 -## N2 total= 100 close= 6 far= 0 %acc 6.0 -## N3 total= 0 close= 0 far= 0 %acc 0.0 -## N4 total= 0 close= 0 far= 0 %acc 0.0 -## N5 total= 0 close= 0 far= 0 %acc 0.0 -## N6 total= 200 close= 29 far= 3 %acc 16.0 -## N7 total= 0 close= 0 far= 0 %acc 0.0 -## N8 total= 0 close= 0 far= 0 %acc 0.0 -## N9 total= 0 close= 0 far= 0 %acc 0.0 -##N10 total= 0 close= 0 far= 0 %acc 0.0 -##N11 total= 0 close= 0 far= 0 %acc 0.0 -##N12 total= 0 close= 0 far= 0 %acc 0.0 -##N13 total= 0 close= 0 far= 0 %acc 0.0 -##N14 total= 0 close= 0 far= 0 %acc 0.0 -##N15 total= 0 close= 0 far= 0 %acc 0.0 -##N16 total= 0 close= 0 far= 0 %acc 0.0 -##N17 total= 0 close= 0 far= 0 %acc 0.0 -##N18 total= 0 close= 0 far= 0 %acc 0.0 - Time for refresh 31 0.43 - make_var : nseed= 20 ntry= 420 - Time for make trial 32 0.11 -Nonsetup time 65.68 sec, Eval/s = 63298.49 -Time for iter 32 2.06 sec, Eval/s = 64289.03 - UPDATING 420 - 4 e 183 416 etot -8.1154E+01 mv 0 30 7 0 0 c 7 1.1 0.0 - 4 e 111 419 etot -8.0870E+01 mv 0 30 187 0 0 - 4 e 101 412 etot -8.3310E+01 mv 0 30 186 0 0 c 186 1.1 0.0 - 4 e 431 394 etot -7.9992E+01 mv 1 30 187 -96 0 - 4 e 426 383 etot -6.8177E+01 mv 1 30 12 -19 0 - 4 e 326 390 etot -8.1349E+01 mv 1 30 85 -102 0 - 4 e 328 409 etot -8.7215E+01 mv 0 30 38 0 0 - 4 e 150 417 etot -8.0910E+01 mv 0 30 12 0 0 c 12 1.6 0.0 - 4 e 545 378 etot -8.0357E+01 mv 1 30 7 -192 0 - 4 e 397 391 etot -7.7855E+01 mv 1 30 187 -194 0 - 4 e 648 384 etot -8.1117E+01 mv 1 30 12 -64 0 c 12 6.7 0.2 - 4 e 92 411 etot -8.3382E+01 mv 0 30 94 0 0 - 4 e 465 382 etot -7.8014E+01 mv 1 30 12 -164 0 - 4 e 288 396 etot -6.9705E+01 mv 1 30 26 -119 0 - 4 e 338 400 etot -6.6783E+01 mv 1 30 26 -45 0 - 4 e 136 414 etot -8.1938E+01 mv 0 30 91 0 0 - 4 e 399 388 etot -8.0925E+01 mv 1 30 85 -165 0 - 4 e 537 380 etot -8.0186E+01 mv 1 30 7 -184 0 - -1 e 1 11 etot 1.7260E+28 mv 6 31 84 67 0 - 4 e 318 395 etot -8.0869E+01 mv 1 30 187 -167 0 - 4 e 501 385 etot -8.0647E+01 mv 1 30 12 -172 0 - 4 e 466 377 etot -6.5492E+01 mv 1 30 7 -196 0 - 4 e 131 413 etot -8.3266E+01 mv 0 30 78 0 0 c 78 1.2 0.0 - -1 e 1 16 etot 1.3528E+20 mv 6 31 84 158 0 - 4 e 414 387 etot -8.1348E+01 mv 1 30 85 -31 0 - 4 e 619 381 etot -7.9347E+01 mv 1 30 12 -168 0 - 4 e 289 389 etot -7.0290E+01 mv 1 30 85 -174 0 - 4 e 72 415 etot -8.1623E+01 mv 0 30 167 0 0 - 4 e 96 420 etot -8.0827E+01 mv 0 30 26 0 0 - 4 e 506 362 etot -8.0614E+01 mv 1 30 78 -45 0 - 4 e 344 397 etot -8.0039E+01 mv 1 30 26 -197 0 - 4 e 156 418 etot -8.0926E+01 mv 0 30 85 0 0 - 4 e 121 410 etot -8.5961E+01 mv 0 30 197 0 0 c 197 0.9 0.0 - 4 e 84 14 etot -8.0246E+01 mv 6 31 84 21 0 c 21 0.8 0.0 - 4 e 165 9 etot -7.5514E+01 mv 6 31 125 91 0 - -1 e 1 35 etot 1.3528E+20 mv 6 31 51 66 0 - 4 e 182 21 etot -7.4730E+01 mv 6 31 1 38 0 - 4 e 191 17 etot -8.1278E+01 mv 6 31 84 15 0 - 4 e 114 34 etot -7.2123E+01 mv 6 31 51 52 0 - 4 e 206 5 etot -8.3970E+01 mv 6 31 125 186 0 c 186 52.6 0.7 - 4 e 233 19 etot -8.9605E+01 mv 6 31 84 116 0 - 4 e 237 20 etot -8.3008E+01 mv 6 31 84 186 0 - 4 e 263 30 etot -7.6153E+01 mv 6 31 1 196 0 - 4 e 250 2 etot -8.0745E+01 mv 6 31 125 75 0 - 4 e 265 13 etot -7.6057E+01 mv 6 31 84 42 0 - 4 e 308 7 etot -7.6934E+01 mv 6 31 125 153 0 - 4 e 292 27 etot -8.7939E+01 mv 6 31 1 21 0 c 1 4.1 0.0 - 4 e 286 10 etot -8.0269E+01 mv 6 31 125 195 0 - 4 e 326 33 etot -8.3263E+01 mv 6 31 51 123 0 c 10 119.4 0.8 - 4 e 400 6 etot -7.3125E+01 mv 6 31 125 143 0 - 4 e 329 28 etot -8.1514E+01 mv 6 31 1 64 0 - 4 e 334 32 etot -8.1367E+01 mv 6 31 51 72 0 f 129 361.8 1.4 - 4 e 345 26 etot -8.7406E+01 mv 6 31 1 92 0 c 92 3.0 0.0 - 4 e 362 12 etot -8.9605E+01 mv 6 31 84 32 0 - 4 e 369 1 etot -7.9354E+01 mv 6 31 125 106 0 - 4 e 262 40 etot -8.2338E+01 mv 6 31 51 194 0 - 4 e 422 25 etot -7.4780E+01 mv 6 31 1 63 0 - 4 e 150 44 etot -7.1074E+01 mv 6 31 38 5 0 - 4 e 81 54 etot -8.2310E+01 mv 6 31 65 43 0 c 43 0.3 0.0 - 4 e 550 4 etot -8.0913E+01 mv 6 31 125 95 0 f 81 418.0 1.0 - 4 e 173 50 etot -7.8018E+01 mv 6 31 38 94 0 - 4 e 504 23 etot -8.7938E+01 mv 6 31 1 46 0 - 4 e 238 41 etot -7.0499E+01 mv 6 31 38 183 0 - 4 e 330 39 etot -7.4176E+01 mv 6 31 51 105 0 - 4 e 536 22 etot -8.8113E+01 mv 6 31 1 188 0 c 1 60.3 0.2 - 4 e 357 37 etot -7.5759E+01 mv 6 31 51 100 0 - -1 e 1 66 etot 1.3528E+20 mv 6 31 62 54 0 - 4 e 326 36 etot -8.4282E+01 mv 6 31 51 31 0 - 4 e 331 46 etot -8.7216E+01 mv 6 31 38 188 0 c 38 1.9 0.0 - 4 e 463 3 etot -7.9886E+01 mv 6 31 125 3 0 - 4 e 248 48 etot -8.4628E+01 mv 6 31 38 30 0 - 4 e 212 49 etot -8.0816E+01 mv 6 31 38 23 0 - -1 e 1 72 etot 1.3528E+20 mv 6 31 183 136 0 - 4 e 637 15 etot -8.1369E+01 mv 6 31 84 108 0 - -1 e 1 74 etot 1.3528E+20 mv 6 31 183 133 0 - 4 e 586 18 etot -8.3199E+01 mv 6 31 84 85 0 - -1 e 1 76 etot 1.3528E+20 mv 6 31 183 129 0 - 4 e 246 59 etot -8.3627E+01 mv 6 31 65 28 0 - 4 e 663 8 etot -8.0506E+01 mv 6 31 125 46 0 - 4 e 358 43 etot -7.1703E+01 mv 6 31 38 103 0 - 4 e 280 51 etot -8.4136E+01 mv 6 31 65 29 0 - 4 e 635 31 etot -7.6328E+01 mv 6 31 51 22 0 - -1 e 1 81 etot 1.3528E+20 mv 6 31 25 36 0 - -1 e 1 82 etot 1.3528E+20 mv 6 31 25 145 0 - 4 e 430 42 etot -7.8967E+01 mv 6 31 38 72 0 - 4 e 637 29 etot -8.3607E+01 mv 6 31 1 190 0 - 4 e 311 60 etot -8.4145E+01 mv 6 31 65 48 0 - 4 e 701 24 etot -8.7937E+01 mv 6 31 1 87 0 - 4 e 337 61 etot -7.9725E+01 mv 6 31 62 142 0 - 4 e 520 38 etot -8.5993E+01 mv 6 31 51 70 0 c 51 147.0 1.7 - 4 e 401 57 etot -8.1272E+01 mv 6 31 65 76 0 - 4 e 250 69 etot -8.2543E+01 mv 6 31 62 145 0 - 4 e 344 62 etot -8.1364E+01 mv 6 31 62 153 0 f 17 389.3 1.4 - 4 e 602 45 etot -8.1838E+01 mv 6 31 38 9 0 - -1 e 1 94 etot 1.3528E+20 mv 6 31 2 142 0 - 4 e 313 58 etot -7.5208E+01 mv 6 31 65 171 0 - 4 e 217 78 etot -8.5771E+01 mv 6 31 183 135 0 - 4 e 124 87 etot -6.9314E+01 mv 6 31 25 123 0 - 4 e 361 67 etot -8.2794E+01 mv 6 31 62 158 0 - -1 e 1 99 etot 1.3528E+20 mv 6 31 2 173 0 - 4 e 122 84 etot -8.4159E+01 mv 6 31 25 137 0 c 137 0.8 0.0 - 4 e 393 64 etot -8.5011E+01 mv 6 31 62 187 0 c 180 247.1 1.2 - 4 e 533 56 etot -7.4365E+01 mv 6 31 65 28 0 - 4 e 115 93 etot -8.0265E+01 mv 6 31 2 72 0 c 72 1.4 0.0 - 4 e 237 73 etot -8.7463E+01 mv 6 31 183 54 0 c 183 1.7 0.0 - 4 e 482 47 etot -7.9060E+01 mv 6 31 38 172 0 - 4 e 191 80 etot -7.2094E+01 mv 6 31 183 188 0 - 4 e 248 85 etot -8.0860E+01 mv 6 31 25 181 0 - 4 e 489 63 etot -8.6593E+01 mv 6 31 62 1 0 - 4 e 318 79 etot -8.5793E+01 mv 6 31 183 138 0 - 4 e 441 71 etot -8.7601E+01 mv 6 31 183 17 0 c 183 15.4 0.1 - 4 e 517 65 etot -8.1288E+01 mv 6 31 62 120 0 - 4 e 134 103 etot -6.7529E+01 mv 6 31 190 32 0 - 4 e 182 86 etot -8.3388E+01 mv 6 31 25 26 0 - 4 e 480 53 etot -8.6795E+01 mv 6 31 65 45 0 c 157 187.6 3.4 - 4 e 323 89 etot -8.6308E+01 mv 6 31 25 54 0 c 25 104.0 1.1 - 4 e 336 91 etot -8.6368E+01 mv 6 31 2 92 0 c 2 4.6 0.0 - 4 e 623 68 etot -8.7938E+01 mv 6 31 62 1 0 - 4 e 258 100 etot -8.7065E+01 mv 6 31 2 192 0 c 192 46.1 0.4 - 4 e 500 77 etot -8.7601E+01 mv 6 31 183 56 0 - 4 e 353 92 etot -8.4302E+01 mv 6 31 2 158 0 c 158 29.9 0.2 - 4 e 550 75 etot -8.4120E+01 mv 6 31 183 194 0 - 4 e 630 55 etot -7.9060E+01 mv 6 31 65 34 0 - 4 e 345 95 etot -7.9524E+01 mv 6 31 2 154 0 - 4 e 391 90 etot -9.1232E+01 mv 6 31 25 33 0 - 4 e 322 97 etot -8.6368E+01 mv 6 31 2 109 0 - 4 e 638 52 etot -8.4142E+01 mv 6 31 65 121 0 - 4 e 224 109 etot -7.7722E+01 mv 6 31 190 172 0 - 4 e 336 96 etot -8.6492E+01 mv 6 31 2 193 0 - 4 e 284 104 etot -8.2853E+01 mv 6 31 190 55 0 - 4 e 334 98 etot -8.3921E+01 mv 6 31 2 138 0 - 4 e 222 110 etot -8.3940E+01 mv 6 31 190 175 0 c 190 3.1 0.0 - 4 e 610 70 etot -8.0336E+01 mv 6 31 62 107 0 - 4 e 240 101 etot -8.3940E+01 mv 6 31 190 41 0 - 4 e 262 111 etot -8.4426E+01 mv 6 31 105 147 0 - 4 e 357 83 etot -8.6308E+01 mv 6 31 25 44 0 - -1 e 1 136 etot 1.3528E+20 mv 6 31 130 128 0 - 4 e 340 108 etot -7.5724E+01 mv 6 31 190 107 0 - 4 e 551 88 etot -8.5213E+01 mv 6 31 25 96 0 - 4 e 221 106 etot -8.3940E+01 mv 6 31 190 91 0 c 190 0.9 0.0 - 4 e 240 120 etot -8.4166E+01 mv 6 31 105 7 0 c 105 38.6 0.3 - 4 e 277 117 etot -8.0378E+01 mv 6 31 105 192 0 - 4 e 188 131 etot -8.1542E+01 mv 6 31 130 125 0 c 87 154.1 1.0 - 4 e 192 132 etot -8.3185E+01 mv 6 31 130 1 0 - 4 e 158 127 etot -8.5478E+01 mv 6 31 18 70 0 - 4 e 274 122 etot -7.6752E+01 mv 6 31 18 187 0 - 4 e 237 129 etot -8.1951E+01 mv 6 31 18 71 0 - 4 e 143 134 etot -6.9180E+01 mv 6 31 130 55 0 - 4 e 316 118 etot -8.0516E+01 mv 6 31 105 98 0 - 4 e 201 133 etot -8.3185E+01 mv 6 31 130 14 0 c 130 3.1 0.0 - 4 e 562 102 etot -8.2057E+01 mv 6 31 190 79 0 - 4 e 246 130 etot -7.8099E+01 mv 6 31 18 71 0 - 4 e 336 107 etot -8.0642E+01 mv 6 31 190 165 0 f 189 389.9 0.7 - -1 e 1 153 etot 1.3528E+20 mv 6 31 169 136 0 - 4 e 265 126 etot -8.3369E+01 mv 6 31 18 42 0 c 18 3.6 0.0 - 4 e 387 116 etot -8.3980E+01 mv 6 31 105 142 0 - 4 e 325 124 etot -7.6584E+01 mv 6 31 18 135 0 - 4 e 322 128 etot -8.0713E+01 mv 6 31 18 67 0 - 4 e 524 112 etot -8.0385E+01 mv 6 31 105 155 0 - -1 e 1 159 etot 1.3528E+20 mv 6 31 169 135 0 - 4 e 393 121 etot -8.3595E+01 mv 6 31 18 25 0 - 4 e 414 119 etot -8.5623E+01 mv 6 31 105 16 0 c 105 18.9 1.5 - 4 e 399 123 etot -7.4215E+01 mv 6 31 18 168 0 - 4 e 329 115 etot -8.1626E+01 mv 6 31 105 188 0 - 4 e 245 139 etot -8.5060E+01 mv 6 31 130 181 0 - 4 e 566 113 etot -7.9677E+01 mv 6 31 105 108 0 - 4 e 359 114 etot -7.9894E+01 mv 6 31 105 85 0 - 4 e 222 143 etot -7.6166E+01 mv 6 31 154 50 0 - 4 e 207 146 etot -8.1529E+01 mv 6 31 154 71 0 - 4 e 455 125 etot -8.2883E+01 mv 6 31 18 189 0 - 4 e 256 142 etot -8.3543E+01 mv 6 31 154 30 0 - 4 e 302 141 etot -7.3070E+01 mv 6 31 154 88 0 - -1 e 1 172 etot 1.3528E+20 mv 6 31 142 16 0 - 4 e 409 138 etot -8.2984E+01 mv 6 31 130 100 0 - 4 e 267 149 etot -8.3334E+01 mv 6 31 154 163 0 - 4 e 309 144 etot -7.9487E+01 mv 6 31 154 40 0 - 4 e 293 151 etot -6.2873E+01 mv 6 31 169 102 0 - 4 e 276 150 etot -8.2163E+01 mv 6 31 154 67 0 - 4 e 226 157 etot -8.3091E+01 mv 6 31 169 20 0 c 169 3.5 0.0 - 4 e 218 162 etot -8.3053E+01 mv 6 31 167 50 0 - 4 e 193 166 etot -7.7029E+01 mv 6 31 167 149 0 - 4 e 227 154 etot -7.0838E+01 mv 6 31 169 1 0 - 4 e 264 158 etot -8.2276E+01 mv 6 31 169 102 0 - 4 e 285 156 etot -7.8938E+01 mv 6 31 169 97 0 - 4 e 244 145 etot -8.0901E+01 mv 6 31 154 152 0 f 153 356.7 0.7 - 4 e 305 140 etot -8.3948E+01 mv 6 31 130 136 0 c 136 66.9 0.2 - 4 e 364 155 etot -8.3099E+01 mv 6 31 169 154 0 c 169 148.7 0.0 - -1 e 1 187 etot 4.1926E+34 mv 6 31 175 95 0 - 4 e 397 147 etot -7.5147E+01 mv 6 31 154 51 0 - 4 e 331 160 etot -7.1807E+01 mv 6 31 169 122 0 - 4 e 188 170 etot -8.2032E+01 mv 6 31 167 196 0 - 4 e 398 152 etot -8.1875E+01 mv 6 31 169 133 0 - 4 e 171 164 etot -8.2204E+01 mv 6 31 167 110 0 c 167 44.5 0.2 - 4 e 606 135 etot -8.5447E+01 mv 6 31 130 59 0 - 4 e 225 168 etot -8.0392E+01 mv 6 31 167 137 0 - 4 e 331 163 etot -8.4565E+01 mv 6 31 167 79 0 c 167 298.3 2.4 - 4 e 147 176 etot -6.8423E+01 mv 6 31 142 177 0 - -1 e 1 197 etot 1.3528E+20 mv 6 31 108 154 0 - 4 e 331 148 etot -7.6986E+01 mv 6 31 154 133 0 - -1 e 1 199 etot 1.3528E+20 mv 6 31 108 41 0 - 4 e 681 105 etot -8.4208E+01 mv 6 31 190 65 0 - 4 e 389 161 etot -8.4922E+01 mv 6 31 167 50 0 c 50 38.8 0.7 - 4 e 210 178 etot -7.2750E+01 mv 6 31 142 35 0 - 4 e 307 171 etot -7.4599E+01 mv 6 31 142 107 0 - 4 e 194 181 etot -8.1910E+01 mv 6 31 175 194 0 - 4 e 398 165 etot -7.6542E+01 mv 6 31 167 176 0 - 4 e 168 188 etot -8.1910E+01 mv 6 31 175 104 0 - 4 e 443 137 etot -7.9312E+01 mv 6 31 130 200 0 - 4 e 236 183 etot -6.8119E+01 mv 6 31 175 170 0 - 4 e 281 179 etot -8.5077E+01 mv 6 31 142 169 0 - 4 e 199 190 etot -8.1575E+01 mv 6 31 175 84 0 - 4 e 205 189 etot -8.5692E+01 mv 6 31 175 45 0 - 4 e 187 182 etot -8.1523E+01 mv 6 31 175 59 0 - 4 e 279 184 etot -7.6159E+01 mv 6 31 175 198 0 - 4 e 410 169 etot -7.8443E+01 mv 6 31 167 134 0 - 4 e 281 167 etot -7.9416E+01 mv 6 31 167 125 0 - 4 e 195 185 etot -7.8323E+01 mv 6 31 175 42 0 - 4 e 197 196 etot -5.9847E+01 mv 6 31 108 198 0 - 4 e 328 180 etot -7.7143E+01 mv 6 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2 31 62 -169 0 - 4 e 471 226 etot -7.2246E+01 mv 2 31 65 -186 0 - 4 e 264 245 etot -8.5216E+01 mv 2 31 25 -91 0 - 4 e 490 225 etot -8.7214E+01 mv 2 31 38 -86 0 - -1 e 1 263 etot 1.3528E+20 mv 2 31 18 -22 0 - 4 e 469 228 etot -6.5199E+01 mv 2 31 65 -153 0 - -1 e 1 265 etot 1.3528E+20 mv 2 31 18 -142 0 - 4 e 244 253 etot -7.5454E+01 mv 2 31 190 -92 0 - 4 e 525 233 etot -7.7194E+01 mv 2 31 62 -144 0 - 4 e 644 222 etot -8.0841E+01 mv 2 31 38 -99 0 f 90 504.6 0.7 - 4 e 453 239 etot -8.6012E+01 mv 2 31 183 -10 0 - 4 e 265 246 etot -8.0222E+01 mv 2 31 2 -99 0 - -1 e 1 271 etot 1.3528E+20 mv 2 31 154 -96 0 - 4 e 319 252 etot -7.0227E+01 mv 2 31 190 -8 0 - 4 e 363 249 etot -8.3711E+01 mv 2 31 2 -102 0 - 4 e 465 240 etot -8.4645E+01 mv 2 31 183 -24 0 - 4 e 543 237 etot -5.8877E+01 mv 2 31 183 -165 0 - 4 e 357 250 etot -8.6368E+01 mv 2 31 2 -147 0 c 2 2.0 0.0 - 4 e 308 241 etot -8.5216E+01 mv 2 31 25 -134 0 - 4 e 429 230 etot -8.5535E+01 mv 2 31 65 -71 0 c 198 75.3 0.5 - -1 e 1 279 etot 1.3528E+20 mv 2 31 169 -41 0 - 4 e 600 235 etot -8.2457E+01 mv 2 31 62 -61 0 - 4 e 441 247 etot -8.1856E+01 mv 2 31 2 -137 0 - -1 e 1 282 etot 1.3528E+20 mv 2 31 167 -135 0 - -1 e 1 283 etot 1.3528E+20 mv 2 31 167 -18 0 - 4 e 340 255 etot -8.3979E+01 mv 2 31 190 -30 0 c 190 156.3 0.0 - 4 e 500 232 etot -7.0617E+01 mv 2 31 62 -30 0 - 4 e 381 254 etot -7.7415E+01 mv 2 31 190 -143 0 - 4 e 313 260 etot -7.2369E+01 mv 2 31 105 -110 0 - 4 e 586 244 etot -8.5214E+01 mv 2 31 25 -143 0 - 4 e 166 276 etot -8.3091E+01 mv 2 31 169 -137 0 - 4 e 351 261 etot -7.0358E+01 mv 2 31 18 -159 0 - 4 e 421 258 etot -7.3658E+01 mv 2 31 105 -157 0 - 4 e 151 281 etot -8.0591E+01 mv 2 31 167 -37 0 - 4 e 642 242 etot -7.5038E+01 mv 2 31 25 -156 0 - 4 e 562 231 etot -8.4571E+01 mv 2 31 62 -146 0 c 62 126.6 0.0 - 4 e 335 266 etot -8.2379E+01 mv 2 31 130 -131 0 - 4 e 421 259 etot -8.2998E+01 mv 2 31 105 -82 0 - 4 e 387 264 etot -7.8480E+01 mv 2 31 18 -43 0 - 4 e 272 269 etot -8.1354E+01 mv 2 31 130 -49 0 - 4 e 402 262 etot -7.4835E+01 mv 2 31 18 -143 0 - 4 e 290 270 etot -8.0468E+01 mv 2 31 130 -144 0 - 4 e 174 285 etot -8.2032E+01 mv 2 31 167 -21 0 - 4 e 332 268 etot -6.7205E+01 mv 2 31 130 -19 0 - 4 e 130 286 etot -6.7089E+01 mv 2 31 142 -190 0 - 4 e 468 248 etot -6.8606E+01 mv 2 31 2 -71 0 - 4 e 374 267 etot -7.2898E+01 mv 2 31 130 -124 0 - 4 e 290 275 etot -7.1406E+01 mv 2 31 154 -76 0 - 4 e 560 238 etot -8.0837E+01 mv 2 31 183 -14 0 c 44 282.1 0.1 - 4 e 207 287 etot -6.1608E+01 mv 2 31 142 -20 0 - 4 e 564 256 etot -8.2995E+01 mv 2 31 105 -114 0 - 4 e 157 292 etot -6.6677E+01 mv 2 31 175 -31 0 - 4 e 337 277 etot -7.6870E+01 mv 2 31 169 -185 0 - -1 e 1 312 etot 1.3528E+20 mv 1 31 1 -53 0 - -1 e 1 313 etot 1.3528E+20 mv 1 31 1 -84 0 - 4 e 311 284 etot -8.2031E+01 mv 2 31 167 -189 0 - 4 e 193 293 etot -6.7501E+01 mv 2 31 175 -101 0 - 4 e 215 294 etot -6.7384E+01 mv 2 31 175 -163 0 - 4 e 204 297 etot -4.8755E+01 mv 2 31 108 -12 0 - 4 e 149 295 etot -7.0606E+01 mv 2 31 175 -142 0 - 4 e 450 274 etot -7.0165E+01 mv 2 31 154 -155 0 - 4 e 255 300 etot -7.8842E+01 mv 2 31 108 -8 0 - -1 e 1 321 etot 1.3528E+20 mv 1 31 38 -63 0 - 4 e 507 273 etot -7.6785E+01 mv 2 31 154 -196 0 - 4 e 393 288 etot -7.9690E+01 mv 2 31 142 -158 0 - 4 e 357 291 etot -6.9911E+01 mv 2 31 175 -14 0 - 4 e 182 310 etot -8.9605E+01 mv 1 31 84 -133 0 - -1 e 1 326 etot 5.4176E+26 mv 1 31 65 -161 0 - 4 e 307 298 etot -5.8130E+01 mv 2 31 108 -191 0 - 4 e 367 278 etot -5.8334E+01 mv 2 31 169 -93 0 - 4 e 137 317 etot -5.6331E+01 mv 1 31 51 -192 0 - 4 e 288 302 etot -6.8288E+01 mv 1 31 125 -198 0 - 4 e 608 251 etot -7.9099E+01 mv 2 31 190 -167 0 - 4 e 253 306 etot -8.9605E+01 mv 1 31 84 -74 0 - 4 e 392 272 etot -7.3240E+01 mv 2 31 154 -180 0 - 4 e 381 280 etot -7.7814E+01 mv 2 31 169 -194 0 - 4 e 262 309 etot -8.8479E+01 mv 1 31 84 -142 0 - 4 e 350 301 etot -6.9355E+01 mv 1 31 125 -69 0 - 4 e 502 289 etot -6.9658E+01 mv 2 31 142 -199 0 - 4 e 250 316 etot -8.4282E+01 mv 1 31 51 -176 0 - -1 e 1 339 etot 1.3528E+20 mv 1 31 183 -41 0 - 4 e 351 307 etot -6.5673E+01 mv 1 31 84 -136 0 - 4 e 366 303 etot -7.8782E+01 mv 1 31 125 -199 0 - 4 e 254 308 etot -8.6121E+01 mv 1 31 84 -43 0 - 4 e 171 325 etot -8.7217E+01 mv 1 31 38 -130 0 c 38 1.4 0.0 - 4 e 356 314 etot -8.4230E+01 mv 1 31 1 -9 0 - 4 e 512 296 etot -5.5495E+01 mv 2 31 108 -104 0 - 4 e 575 290 etot -8.2706E+01 mv 2 31 142 -69 0 - 4 e 392 320 etot -7.4458E+01 mv 1 31 51 -83 0 - -1 e 1 348 etot 1.3528E+20 mv 1 31 2 -175 0 - 4 e 493 315 etot -7.7089E+01 mv 1 31 1 -10 0 - 4 e 309 330 etot -7.6526E+01 mv 1 31 65 -99 0 - 4 e 390 323 etot -8.5596E+01 mv 1 31 38 -154 0 - 4 e 672 299 etot -8.0197E+01 mv 2 31 108 -105 0 - 4 e 464 322 etot -8.1575E+01 mv 1 31 38 -62 0 - 4 e 434 328 etot -7.2748E+01 mv 1 31 65 -75 0 - -1 e 1 354 etot 1.3528E+20 mv 1 31 190 -156 0 - 4 e 325 338 etot -8.6784E+01 mv 1 31 183 -131 0 - 4 e 464 305 etot -7.0391E+01 mv 1 31 125 -48 0 - 4 e 274 335 etot -8.4537E+01 mv 1 31 62 -157 0 - 4 e 423 331 etot -8.4535E+01 mv 1 31 62 -28 0 - 4 e 457 327 etot -8.3625E+01 mv 1 31 65 -131 0 - 4 e 569 318 etot -8.4089E+01 mv 1 31 51 -87 0 - 4 e 501 324 etot -8.7213E+01 mv 1 31 38 -142 0 - 4 e 398 337 etot -8.2686E+01 mv 1 31 183 -16 0 c 99 130.1 1.3 - 4 e 284 346 etot -8.6368E+01 mv 1 31 2 -154 0 - 4 e 508 304 etot -7.8223E+01 mv 1 31 125 -97 0 - 4 e 346 332 etot -7.4221E+01 mv 1 31 62 -73 0 - 4 e 347 344 etot -7.5951E+01 mv 1 31 25 -199 0 - 4 e 717 311 etot -8.2263E+01 mv 1 31 1 -196 0 - 4 e 518 333 etot -7.9732E+01 mv 1 31 62 -75 0 - 4 e 429 340 etot -8.7462E+01 mv 1 31 183 -63 0 - 4 e 453 341 etot -8.5215E+01 mv 1 31 25 -26 0 - -1 e 1 372 etot 1.3528E+20 mv 1 31 154 -44 0 - 4 e 510 336 etot -8.5905E+01 mv 1 31 183 -50 0 - 4 e 469 319 etot -7.2783E+01 mv 1 31 51 -192 0 - 4 e 296 351 etot -8.2246E+01 mv 1 31 190 -101 0 - 4 e 415 334 etot -7.8594E+01 mv 1 31 62 -26 0 - -1 e 1 377 etot 1.3528E+20 mv 1 31 169 -57 0 - 4 e 282 352 etot -8.3940E+01 mv 1 31 190 -155 0 - -1 e 1 379 etot 1.3528E+20 mv 1 31 169 -18 0 - 4 e 188 361 etot -7.0215E+01 mv 1 31 18 -24 0 - 4 e 336 350 etot -7.7597E+01 mv 1 31 2 -122 0 - 4 e 252 356 etot -8.3840E+01 mv 1 31 105 -170 0 - -1 e 1 383 etot 1.3528E+20 mv 1 31 167 -59 0 - 4 e 312 353 etot -7.1019E+01 mv 1 31 190 -16 0 - 4 e 606 342 etot -8.5435E+01 mv 1 31 25 -121 0 - 4 e 247 365 etot -6.8781E+01 mv 1 31 18 -151 0 - 4 e 571 345 etot -8.6113E+01 mv 1 31 25 -178 0 - 4 e 292 360 etot -8.4166E+01 mv 1 31 105 -30 0 - 4 e 270 364 etot -8.4192E+01 mv 1 31 18 -31 0 c 18 28.6 0.8 - 4 e 207 370 etot -8.2248E+01 mv 1 31 130 -151 0 - 4 e 180 366 etot -8.3185E+01 mv 1 31 130 -85 0 c 130 2.1 0.0 - 4 e 255 369 etot -7.2838E+01 mv 1 31 130 -117 0 - 4 e 342 355 etot -7.8300E+01 mv 1 31 190 -99 0 - 4 e 293 362 etot -7.6129E+01 mv 1 31 18 -73 0 - 4 e 173 385 etot -8.2032E+01 mv 1 31 167 -7 0 - 4 e 442 357 etot -7.4410E+01 mv 1 31 105 -64 0 - 4 e 302 359 etot -7.9729E+01 mv 1 31 105 -57 0 - 4 e 620 329 etot -7.7969E+01 mv 1 31 65 -44 0 - 4 e 316 358 etot -8.0146E+01 mv 1 31 105 -134 0 - -1 e 1 400 etot 1.3528E+20 mv 1 31 108 -82 0 - 4 e 670 347 etot -7.9186E+01 mv 1 31 2 -68 0 - 4 e 252 380 etot -8.3091E+01 mv 1 31 169 -11 0 - 4 e 341 371 etot -8.4091E+01 mv 1 31 154 -121 0 - 4 e 397 368 etot -7.8741E+01 mv 1 31 130 -133 0 - 4 e 367 374 etot -8.4092E+01 mv 1 31 154 -4 0 - 4 e 174 394 etot -8.1910E+01 mv 1 31 175 -102 0 c 175 0.9 0.0 - 4 e 282 384 etot -7.2952E+01 mv 1 31 167 -142 0 - 4 e 56 402 etot -8.9606E+01 mv 0 31 84 0 0 c 84 0.1 0.0 - 4 e 203 391 etot -8.2099E+01 mv 1 31 175 -104 0 c 175 24.9 0.2 - 4 e 73 405 etot -8.7217E+01 mv 0 31 38 0 0 c 38 0.7 0.0 - 4 e 662 349 etot -7.6393E+01 mv 1 31 2 -21 0 - 4 e 258 386 etot -8.2021E+01 mv 1 31 142 -157 0 c 142 3.4 0.0 - 4 e 236 393 etot -5.8422E+01 mv 1 31 175 -109 0 - 4 e 80 401 etot -8.0721E+01 mv 0 31 125 0 0 c 125 2.4 0.0 - 4 e 127 404 etot -8.4283E+01 mv 0 31 51 0 0 - 4 e 609 343 etot -7.9526E+01 mv 1 31 25 -64 0 - 4 e 82 408 etot -8.7464E+01 mv 0 31 183 0 0 - 4 e 396 381 etot -8.2031E+01 mv 1 31 167 -128 0 - 4 e 422 376 etot -7.7862E+01 mv 1 31 169 -83 0 -## N0 total= 17 close= 8 far= 0 %acc 47.1 -## N1 total= 103 close= 8 far= 0 %acc 7.8 -## N2 total= 100 close= 5 far= 1 %acc 6.0 -## N3 total= 0 close= 0 far= 0 %acc 0.0 -## N4 total= 0 close= 0 far= 0 %acc 0.0 -## N5 total= 0 close= 0 far= 0 %acc 0.0 -## N6 total= 200 close= 33 far= 5 %acc 19.0 -## N7 total= 0 close= 0 far= 0 %acc 0.0 -## N8 total= 0 close= 0 far= 0 %acc 0.0 -## N9 total= 0 close= 0 far= 0 %acc 0.0 -##N10 total= 0 close= 0 far= 0 %acc 0.0 -##N11 total= 0 close= 0 far= 0 %acc 0.0 -##N12 total= 0 close= 0 far= 0 %acc 0.0 -##N13 total= 0 close= 0 far= 0 %acc 0.0 -##N14 total= 0 close= 0 far= 0 %acc 0.0 -##N15 total= 0 close= 0 far= 0 %acc 0.0 -##N16 total= 0 close= 0 far= 0 %acc 0.0 -##N17 total= 0 close= 0 far= 0 %acc 0.0 -##N18 total= 0 close= 0 far= 0 %acc 0.0 - Time for refresh 32 0.31 - make_var : nseed= 20 ntry= 420 - Time for make trial 33 0.04 -Nonsetup time 67.53 sec, Eval/s = 63477.41 -Time for iter 33 1.86 sec, Eval/s = 69810.39 - UPDATING 420 - 4 e 519 389 etot -8.2706E+01 mv 1 31 142 -38 0 c 142 100.0 0.7 - 4 e 160 403 etot -8.7940E+01 mv 0 31 1 0 0 - 4 e 70 419 etot -8.1910E+01 mv 0 31 175 0 0 - 4 e 149 406 etot -8.4331E+01 mv 0 31 65 0 0 c 65 2.8 0.0 - 4 e 367 396 etot -8.1686E+01 mv 1 31 108 -123 0 - 4 e 357 390 etot -8.2020E+01 mv 1 31 142 -171 0 - 4 e 313 412 etot -8.4166E+01 mv 0 31 105 0 0 - 4 e 100 414 etot -8.3185E+01 mv 0 31 130 0 0 c 130 1.4 0.0 - 4 e 616 397 etot -7.9425E+01 mv 1 31 108 -120 0 - 4 e 721 373 etot -5.7364E+01 mv 1 31 154 -48 0 - 4 e 121 418 etot -8.2021E+01 mv 0 31 142 0 0 - 4 e 315 388 etot -7.6148E+01 mv 1 31 142 -190 0 - 4 e 147 416 etot -8.3091E+01 mv 0 31 169 0 0 - -1 e 1 4 etot 1.3528E+20 mv 6 32 10 83 0 - 4 e 166 410 etot -8.6369E+01 mv 0 31 2 0 0 c 2 1.1 0.0 - 4 e 435 395 etot -8.1909E+01 mv 1 31 175 -72 0 - 4 e 127 413 etot -8.3370E+01 mv 0 31 18 0 0 - 4 e 439 387 etot -7.0617E+01 mv 1 31 142 -14 0 - 4 e 156 409 etot -8.5216E+01 mv 0 31 25 0 0 - -1 e 1 10 etot 1.3528E+20 mv 6 32 10 79 0 - -1 e 1 12 etot 1.3528E+20 mv 6 32 1 185 0 - 4 e 157 411 etot -8.3940E+01 mv 0 31 190 0 0 - 4 e 99 420 etot -8.1687E+01 mv 0 31 108 0 0 - 4 e 613 363 etot -8.0045E+01 mv 1 31 18 -54 0 - -1 e 1 18 etot 1.3528E+20 mv 6 32 1 41 0 - 4 e 142 407 etot -8.4537E+01 mv 0 31 62 0 0 - -1 e 1 19 etot 1.3528E+20 mv 6 32 1 69 0 - 4 e 416 382 etot -7.7970E+01 mv 1 31 167 -126 0 - 4 e 439 375 etot -8.4151E+01 mv 1 31 154 -72 0 c 154 19.1 0.1 - 4 e 238 398 etot -5.1985E+01 mv 1 31 108 -12 0 - -1 e 1 23 etot 1.3528E+20 mv 6 32 162 154 0 - 4 e 490 399 etot -6.6004E+01 mv 1 31 108 -3 0 - 4 e 420 378 etot -7.3936E+01 mv 1 31 169 -142 0 - 4 e 84 415 etot -8.4092E+01 mv 0 31 154 0 0 - 4 e 106 417 etot -8.2032E+01 mv 0 31 167 0 0 - 4 e 442 367 etot -8.1991E+01 mv 1 31 130 -82 0 - 4 e 685 392 etot -8.1908E+01 mv 1 31 175 -199 0 - 4 e 130 25 etot -8.6807E+01 mv 6 32 162 50 0 c 162 1.3 0.0 - 4 e 150 8 etot -6.7655E+01 mv 6 32 10 31 0 - -1 e 1 39 etot 1.3528E+20 mv 6 32 157 70 0 - 4 e 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e 514 362 etot -6.6369E+01 mv 1 32 180 -133 0 - 4 e 387 371 etot -8.4273E+01 mv 1 32 126 -14 0 - 4 e 468 370 etot -8.3948E+01 mv 1 32 136 -99 0 - 4 e 228 388 etot -8.2311E+01 mv 1 32 186 -51 0 - 4 e 77 403 etot -8.6807E+01 mv 0 32 162 0 0 - 4 e 541 366 etot -8.3946E+01 mv 1 32 136 -139 0 - 4 e 207 391 etot -8.2588E+01 mv 1 32 185 -187 0 c 185 0.5 0.0 - 4 e 111 401 etot -8.3263E+01 mv 0 32 10 0 0 c 10 0.7 0.0 - 4 e 388 365 etot -7.9538E+01 mv 1 32 180 -22 0 - 4 e 247 383 etot -8.3937E+01 mv 1 32 53 -118 0 - 4 e 436 378 etot -8.2747E+01 mv 1 32 165 -31 0 - 4 e 117 402 etot -8.8115E+01 mv 0 32 1 0 0 c 1 1.8 0.0 - 4 e 491 372 etot -8.4273E+01 mv 1 32 126 -23 0 - 4 e 378 384 etot -8.4333E+01 mv 1 32 53 -4 0 - 4 e 197 389 etot -8.3723E+01 mv 1 32 186 -13 0 - 4 e 104 405 etot -8.6309E+01 mv 0 32 25 0 0 - 4 e 427 381 etot -8.4332E+01 mv 1 32 53 -175 0 - 4 e 504 373 etot -7.5854E+01 mv 1 32 126 -137 0 -## N0 total= 19 close= 5 far= 0 %acc 26.3 -## N1 total= 101 close= 7 far= 0 %acc 6.9 -## N2 total= 100 close= 5 far= 3 %acc 8.0 -## N3 total= 0 close= 0 far= 0 %acc 0.0 -## N4 total= 0 close= 0 far= 0 %acc 0.0 -## N5 total= 0 close= 0 far= 0 %acc 0.0 -## N6 total= 200 close= 30 far= 2 %acc 16.0 -## N7 total= 0 close= 0 far= 0 %acc 0.0 -## N8 total= 0 close= 0 far= 0 %acc 0.0 -## N9 total= 0 close= 0 far= 0 %acc 0.0 -##N10 total= 0 close= 0 far= 0 %acc 0.0 -##N11 total= 0 close= 0 far= 0 %acc 0.0 -##N12 total= 0 close= 0 far= 0 %acc 0.0 -##N13 total= 0 close= 0 far= 0 %acc 0.0 -##N14 total= 0 close= 0 far= 0 %acc 0.0 -##N15 total= 0 close= 0 far= 0 %acc 0.0 -##N16 total= 0 close= 0 far= 0 %acc 0.0 -##N17 total= 0 close= 0 far= 0 %acc 0.0 -##N18 total= 0 close= 0 far= 0 %acc 0.0 - Time for refresh 33 0.27 - make_var : nseed= 20 ntry= 420 - Time for make trial 34 0.07 -Nonsetup time 69.41 sec, Eval/s = 63650.73 -Time for iter 34 1.88 sec, Eval/s = 69867.29 - UPDATING 420 - 4 e 177 404 etot -8.6798E+01 mv 0 32 157 0 0 c 157 0.9 0.0 - 4 e 91 413 etot -8.5012E+01 mv 0 32 180 0 0 - 4 e 268 415 etot -8.3709E+01 mv 0 32 126 0 0 - 4 e 595 377 etot -6.4427E+01 mv 1 32 165 -137 0 - 4 e 116 420 etot -8.3559E+01 mv 0 32 71 0 0 - 4 e 619 367 etot -8.1123E+01 mv 1 32 136 -50 0 - 4 e 98 414 etot -8.3949E+01 mv 0 32 136 0 0 - 4 e 127 416 etot -8.3059E+01 mv 0 32 165 0 0 - 4 e 292 394 etot -7.5778E+01 mv 1 32 185 -47 0 - 4 e 145 419 etot -8.2589E+01 mv 0 32 185 0 0 c 185 0.6 0.0 - 4 e 105 410 etot -8.4923E+01 mv 0 32 50 0 0 c 50 1.0 0.0 - 4 e 270 393 etot -7.2475E+01 mv 1 32 185 -54 0 - 4 e 140 406 etot -8.5625E+01 mv 0 32 105 0 0 c 105 1.2 0.0 - 4 e 154 407 etot -8.4574E+01 mv 0 32 62 0 0 c 62 3.6 0.0 - 4 e 446 392 etot -7.8331E+01 mv 1 32 185 -187 0 - 4 e 260 398 etot -6.0431E+01 mv 1 32 71 -10 0 - 4 e 309 390 etot -8.3809E+01 mv 1 32 186 -14 0 - 4 e 481 386 etot -7.4996E+01 mv 1 32 186 -131 0 - 4 e 102 408 etot -8.4566E+01 mv 0 32 167 0 0 - 4 e 76 409 etot -8.4302E+01 mv 0 32 158 0 0 c 158 1.2 0.0 - 4 e 128 418 etot -8.3970E+01 mv 0 32 186 0 0 c 186 1.0 0.0 - -1 e 1 13 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etot -7.4402E+01 mv 1 33 88 -46 0 - 4 e 618 333 etot -8.4519E+01 mv 1 33 18 -62 0 - 4 e 287 381 etot -8.3002E+01 mv 1 33 190 -121 0 - 4 e 382 358 etot -8.2744E+01 mv 1 33 25 -109 0 - 4 e 437 371 etot -8.4090E+01 mv 1 33 154 -87 0 - 4 e 215 391 etot -8.3208E+01 mv 1 33 15 -150 0 - 4 e 105 401 etot -8.1539E+01 mv 0 33 164 0 0 - 4 e 265 388 etot -6.6063E+01 mv 1 33 165 -131 0 - 4 e 68 404 etot -8.5226E+01 mv 0 33 167 0 0 - 4 e 130 402 etot -8.7603E+01 mv 0 33 183 0 0 c 183 1.3 0.0 - 4 e 476 372 etot -7.4262E+01 mv 1 33 154 -61 0 - 4 e 340 386 etot -8.3064E+01 mv 1 33 165 -132 0 - 4 e 354 385 etot -8.4069E+01 mv 1 33 190 -36 0 - 4 e 419 377 etot -7.3329E+01 mv 1 33 136 -145 0 - 4 e 99 406 etot -8.5210E+01 mv 0 33 57 0 0 c 57 1.4 0.0 - 4 e 290 375 etot -7.0879E+01 mv 1 33 154 -9 0 - 4 e 147 403 etot -8.6135E+01 mv 0 33 195 0 0 c 195 1.9 0.0 -## N0 total= 21 close= 11 far= 0 %acc 52.4 -## N1 total= 99 close= 10 far= 1 %acc 11.1 -## N2 total= 100 close= 6 far= 3 %acc 9.0 -## N3 total= 0 close= 0 far= 0 %acc 0.0 -## N4 total= 0 close= 0 far= 0 %acc 0.0 -## N5 total= 0 close= 0 far= 0 %acc 0.0 -## N6 total= 200 close= 18 far= 4 %acc 11.0 -## N7 total= 0 close= 0 far= 0 %acc 0.0 -## N8 total= 0 close= 0 far= 0 %acc 0.0 -## N9 total= 0 close= 0 far= 0 %acc 0.0 -##N10 total= 0 close= 0 far= 0 %acc 0.0 -##N11 total= 0 close= 0 far= 0 %acc 0.0 -##N12 total= 0 close= 0 far= 0 %acc 0.0 -##N13 total= 0 close= 0 far= 0 %acc 0.0 -##N14 total= 0 close= 0 far= 0 %acc 0.0 -##N15 total= 0 close= 0 far= 0 %acc 0.0 -##N16 total= 0 close= 0 far= 0 %acc 0.0 -##N17 total= 0 close= 0 far= 0 %acc 0.0 -##N18 total= 0 close= 0 far= 0 %acc 0.0 - Time for refresh 34 0.27 - make_var : nseed= 20 ntry= 420 - Time for make trial 35 0.10 -Nonsetup time 71.32 sec, Eval/s = 63784.36 -Time for iter 35 1.90 sec, Eval/s = 68660.04 - UPDATING 420 - 4 e 437 379 etot -8.4430E+01 mv 1 33 136 -181 0 c 136 45.9 0.4 - 4 e 102 409 etot -8.4144E+01 mv 0 33 109 0 0 - 4 e 597 383 etot -7.7505E+01 mv 1 33 190 -147 0 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etot -7.2446E+01 mv 1 34 71 -161 0 - 4 e 132 388 etot -6.7212E+01 mv 1 34 146 -86 0 - 4 e 404 368 etot -8.0479E+01 mv 1 34 91 -141 0 - 4 e 251 383 etot -6.6600E+01 mv 1 34 61 -122 0 - 4 e 104 401 etot -8.0901E+01 mv 0 34 153 0 0 - 4 e 389 374 etot -8.2685E+01 mv 1 34 138 -71 0 - 4 e 246 385 etot -7.3693E+01 mv 1 34 61 -151 0 - 4 e 100 405 etot -8.6407E+01 mv 0 34 41 0 0 - 4 e 78 406 etot -8.4463E+01 mv 0 34 53 0 0 c 53 1.2 0.0 - 4 e 108 404 etot -8.3888E+01 mv 0 34 106 0 0 c 106 1.2 0.0 - 4 e 84 403 etot -8.6595E+01 mv 0 34 51 0 0 c 51 1.2 0.0 - 4 e 287 387 etot -7.2697E+01 mv 1 34 146 -6 0 - 4 e 358 369 etot -7.4667E+01 mv 1 34 91 -21 0 - 4 e 70 408 etot -8.3514E+01 mv 0 34 15 0 0 c 15 0.8 0.0 - 4 e 515 370 etot -8.1257E+01 mv 1 34 91 -121 0 f 114 413.9 0.7 - 4 e 259 381 etot -8.2414E+01 mv 1 34 61 -60 0 - 4 e 71 409 etot -8.3502E+01 mv 0 34 83 0 0 c 83 0.3 0.0 -## N0 total= 22 close= 14 far= 0 %acc 63.6 -## N1 total= 98 close= 10 far= 3 %acc 13.3 -## N2 total= 100 close= 6 far= 0 %acc 6.0 -## N3 total= 0 close= 0 far= 0 %acc 0.0 -## N4 total= 0 close= 0 far= 0 %acc 0.0 -## N5 total= 0 close= 0 far= 0 %acc 0.0 -## N6 total= 200 close= 29 far= 4 %acc 16.5 -## N7 total= 0 close= 0 far= 0 %acc 0.0 -## N8 total= 0 close= 0 far= 0 %acc 0.0 -## N9 total= 0 close= 0 far= 0 %acc 0.0 -##N10 total= 0 close= 0 far= 0 %acc 0.0 -##N11 total= 0 close= 0 far= 0 %acc 0.0 -##N12 total= 0 close= 0 far= 0 %acc 0.0 -##N13 total= 0 close= 0 far= 0 %acc 0.0 -##N14 total= 0 close= 0 far= 0 %acc 0.0 -##N15 total= 0 close= 0 far= 0 %acc 0.0 -##N16 total= 0 close= 0 far= 0 %acc 0.0 -##N17 total= 0 close= 0 far= 0 %acc 0.0 -##N18 total= 0 close= 0 far= 0 %acc 0.0 - Time for refresh 35 0.30 - make_var : nseed= 20 ntry= 420 - Time for make trial 36 0.07 -Nonsetup time 73.18 sec, Eval/s = 63930.74 -Time for iter 36 1.86 sec, Eval/s = 69545.41 - UPDATING 420 - 4 e 300 399 etot -8.0542E+01 mv 1 34 150 -54 0 - 4 e 234 396 etot -8.1933E+01 mv 1 34 150 -47 0 c 150 3.4 0.0 - 4 e 77 412 etot 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mv 0 34 65 0 0 c 65 2.2 0.0 - 4 e 649 379 etot -7.6700E+01 mv 1 34 108 -147 0 - -1 e 1 16 etot 1.3528E+20 mv 6 35 117 162 0 - 4 e 615 392 etot -7.4435E+01 mv 1 34 100 -23 0 - 4 e 730 377 etot -7.4095E+01 mv 1 34 108 -186 0 - 4 e 139 419 etot -8.2310E+01 mv 0 34 100 0 0 - 4 e 301 400 etot -7.8780E+01 mv 1 34 150 -112 0 - 4 e 361 384 etot -7.1231E+01 mv 1 34 61 -152 0 - -1 e 1 22 etot 1.3528E+20 mv 6 35 198 132 0 - -1 e 1 25 etot 1.3528E+20 mv 6 35 198 191 0 - 4 e 375 393 etot -8.2312E+01 mv 1 34 100 -78 0 - 4 e 166 402 etot -8.7407E+01 mv 0 34 92 0 0 c 92 1.6 0.0 - 4 e 583 349 etot -8.0532E+01 mv 1 34 71 -6 0 - 4 e 549 416 etot -8.2583E+01 mv 0 34 108 0 0 - 4 e 96 414 etot -8.2535E+01 mv 0 34 91 0 0 c 91 1.6 0.0 - -1 e 1 32 etot 1.3528E+20 mv 6 35 137 78 0 - 4 e 81 36 etot -8.2284E+01 mv 6 35 137 72 0 c 72 0.2 0.0 - 4 e 132 21 etot -6.8621E+01 mv 6 35 198 186 0 - -1 e 1 39 etot 1.3528E+20 mv 6 35 137 115 0 - 4 e 201 35 etot -8.5293E+01 mv 6 35 137 155 0 c 137 2.7 0.0 - 4 e 199 10 etot 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-155 0 - 4 e 185 394 etot -8.3125E+01 mv 1 35 90 -33 0 c 90 0.8 0.0 - 4 e 520 361 etot -8.2486E+01 mv 1 35 189 -106 0 c 189 43.6 0.3 - 4 e 272 383 etot -7.3804E+01 mv 1 35 88 -30 0 - 4 e 510 364 etot -8.2161E+01 mv 1 35 189 -157 0 - 4 e 276 380 etot -7.5022E+01 mv 1 35 180 -147 0 - 4 e 467 368 etot -7.5126E+01 mv 1 35 28 -37 0 - 4 e 193 395 etot -8.0668E+01 mv 1 35 90 -179 0 - 4 e 530 366 etot -8.3743E+01 mv 1 35 28 -24 0 f 159 411.1 3.0 - 4 e 432 374 etot -6.4989E+01 mv 1 35 61 -162 0 - 4 e 437 373 etot -6.2812E+01 mv 1 35 61 -181 0 - 4 e 214 388 etot -7.4644E+01 mv 1 35 50 -30 0 - 4 e 96 402 etot -8.9422E+01 mv 0 35 117 0 0 c 117 0.9 0.0 - 4 e 309 376 etot -8.6396E+01 mv 1 35 180 -5 0 - 4 e 104 404 etot -8.5293E+01 mv 0 35 137 0 0 - 4 e 315 393 etot -7.1005E+01 mv 1 35 90 -84 0 - 4 e 388 384 etot -8.7180E+01 mv 1 35 88 -52 0 - 4 e 121 403 etot -8.5536E+01 mv 0 35 198 0 0 c 198 1.9 0.0 - 4 e 386 381 etot -8.2539E+01 mv 1 35 88 -163 0 - 4 e 102 407 etot -8.4113E+01 mv 0 35 138 0 0 -## N0 total= 17 close= 10 far= 0 %acc 58.8 -## N1 total= 103 close= 8 far= 2 %acc 9.7 -## N2 total= 100 close= 3 far= 1 %acc 4.0 -## N3 total= 0 close= 0 far= 0 %acc 0.0 -## N4 total= 0 close= 0 far= 0 %acc 0.0 -## N5 total= 0 close= 0 far= 0 %acc 0.0 -## N6 total= 200 close= 35 far= 5 %acc 20.0 -## N7 total= 0 close= 0 far= 0 %acc 0.0 -## N8 total= 0 close= 0 far= 0 %acc 0.0 -## N9 total= 0 close= 0 far= 0 %acc 0.0 -##N10 total= 0 close= 0 far= 0 %acc 0.0 -##N11 total= 0 close= 0 far= 0 %acc 0.0 -##N12 total= 0 close= 0 far= 0 %acc 0.0 -##N13 total= 0 close= 0 far= 0 %acc 0.0 -##N14 total= 0 close= 0 far= 0 %acc 0.0 -##N15 total= 0 close= 0 far= 0 %acc 0.0 -##N16 total= 0 close= 0 far= 0 %acc 0.0 -##N17 total= 0 close= 0 far= 0 %acc 0.0 -##N18 total= 0 close= 0 far= 0 %acc 0.0 - Time for refresh 36 0.26 - make_var : nseed= 20 ntry= 420 - Time for make trial 37 0.10 -Nonsetup time 74.95 sec, Eval/s = 64052.80 -Time for iter 37 1.77 sec, Eval/s = 69088.99 - UPDATING 420 - 4 e 472 391 etot 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-166 0 - 4 e 219 391 etot -7.4605E+01 mv 1 36 175 -123 0 - 4 e 337 378 etot -6.0743E+01 mv 1 36 108 -32 0 - 4 e 364 373 etot -8.1773E+01 mv 1 36 93 -1 0 - 4 e 245 392 etot -5.8954E+01 mv 1 36 175 -85 0 - 4 e 96 402 etot -8.7326E+01 mv 0 36 174 0 0 - 4 e 508 355 etot -7.4281E+01 mv 1 36 196 -181 0 - 4 e 663 358 etot -6.7011E+01 mv 1 36 116 -186 0 - 4 e 82 401 etot -8.0765E+01 mv 0 36 120 0 0 - 4 e 528 369 etot -8.3452E+01 mv 1 36 44 -176 0 - 4 e 328 388 etot -6.8781E+01 mv 1 36 26 -162 0 - 4 e 267 381 etot -8.2488E+01 mv 1 36 189 -106 0 - 4 e 116 404 etot -8.6121E+01 mv 0 36 107 0 0 c 107 0.7 0.0 - 4 e 130 400 etot -6.5035E+01 mv 1 36 133 -48 0 - 4 e 107 405 etot -8.6067E+01 mv 0 36 167 0 0 c 167 0.3 0.0 - 4 e 139 403 etot -8.6171E+01 mv 0 36 35 0 0 - 4 e 85 408 etot -8.7381E+01 mv 0 36 41 0 0 c 41 1.0 0.0 - 4 e 457 374 etot -8.2181E+01 mv 1 36 93 -165 0 -## N0 total= 22 close= 9 far= 0 %acc 40.9 -## N1 total= 98 close= 5 far= 0 %acc 5.1 -## N2 total= 100 close= 5 far= 2 %acc 7.0 -## N3 total= 0 close= 0 far= 0 %acc 0.0 -## N4 total= 0 close= 0 far= 0 %acc 0.0 -## N5 total= 0 close= 0 far= 0 %acc 0.0 -## N6 total= 200 close= 25 far= 4 %acc 14.5 -## N7 total= 0 close= 0 far= 0 %acc 0.0 -## N8 total= 0 close= 0 far= 0 %acc 0.0 -## N9 total= 0 close= 0 far= 0 %acc 0.0 -##N10 total= 0 close= 0 far= 0 %acc 0.0 -##N11 total= 0 close= 0 far= 0 %acc 0.0 -##N12 total= 0 close= 0 far= 0 %acc 0.0 -##N13 total= 0 close= 0 far= 0 %acc 0.0 -##N14 total= 0 close= 0 far= 0 %acc 0.0 -##N15 total= 0 close= 0 far= 0 %acc 0.0 -##N16 total= 0 close= 0 far= 0 %acc 0.0 -##N17 total= 0 close= 0 far= 0 %acc 0.0 -##N18 total= 0 close= 0 far= 0 %acc 0.0 - Time for refresh 37 0.25 - make_var : nseed= 20 ntry= 420 - Time for make trial 38 0.05 -Nonsetup time 76.79 sec, Eval/s = 64252.34 -Time for iter 38 1.84 sec, Eval/s = 72363.93 - UPDATING 420 - 4 e 566 375 etot -8.4078E+01 mv 1 36 93 -22 0 c 93 132.3 1.1 - 4 e 579 372 etot -7.7407E+01 mv 1 36 93 -96 0 - 4 e 138 407 etot -8.5188E+01 mv 0 36 28 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etot -8.6658E+01 mv 1 37 23 -198 0 - 4 e 302 347 etot -8.0401E+01 mv 1 37 99 -169 0 - -1 e 1 367 etot 1.3528E+20 mv 1 37 125 -152 0 - 4 e 339 343 etot -6.5844E+01 mv 1 37 196 -21 0 - 4 e 422 313 etot -7.8959E+01 mv 1 37 174 -77 0 - 4 e 533 329 etot -8.6658E+01 mv 1 37 23 -186 0 - 4 e 360 334 etot -8.0044E+01 mv 1 37 180 -121 0 - 4 e 203 356 etot -5.6523E+01 mv 1 37 103 -129 0 - -1 e 1 373 etot 1.3528E+20 mv 1 37 56 -24 0 - 4 e 538 332 etot -8.7148E+01 mv 1 37 180 -65 0 - 4 e 660 297 etot -6.8750E+01 mv 2 37 153 -123 0 - 4 e 502 337 etot -7.1512E+01 mv 1 37 78 -126 0 - 4 e 461 338 etot -6.6895E+01 mv 1 37 78 -152 0 - 4 e 571 333 etot -7.3083E+01 mv 1 37 180 -115 0 - 4 e 255 355 etot -8.2874E+01 mv 1 37 148 -137 0 - 4 e 447 323 etot -8.4254E+01 mv 1 37 28 -173 0 - 4 e 308 351 etot -8.2873E+01 mv 1 37 148 -189 0 - 4 e 336 341 etot -8.4641E+01 mv 1 37 196 -102 0 - -1 e 1 383 etot 1.3528E+20 mv 1 37 159 -114 0 - 4 e 357 350 etot -8.3794E+01 mv 1 37 99 -125 0 - 4 e 699 322 etot -8.3287E+01 mv 1 37 28 -66 0 f 52 375.5 2.3 - 4 e 500 344 etot -8.4803E+01 mv 1 37 196 -13 0 - 4 e 366 354 etot -8.2772E+01 mv 1 37 148 -39 0 f 13 386.4 1.8 - 4 e 324 358 etot -7.8129E+01 mv 1 37 103 -20 0 - 4 e 492 348 etot -7.9721E+01 mv 1 37 99 -122 0 - 4 e 160 365 etot -8.4531E+01 mv 1 37 83 -120 0 c 83 3.0 0.0 - 4 e 258 359 etot -8.1688E+01 mv 1 37 103 -62 0 - 4 e 508 349 etot -8.3076E+01 mv 1 37 99 -100 0 - 4 e 268 368 etot -7.0286E+01 mv 1 37 125 -51 0 - 4 e 386 361 etot -8.0273E+01 mv 1 37 83 -159 0 - 4 e 276 371 etot -8.2282E+01 mv 1 37 56 -84 0 - 4 e 266 375 etot -8.1654E+01 mv 1 37 56 -199 0 - 4 e 374 362 etot -8.0942E+01 mv 1 37 83 -45 0 - -1 e 1 398 etot 1.3528E+20 mv 1 37 153 -45 0 - 4 e 373 369 etot -7.4877E+01 mv 1 37 125 -21 0 - 4 e 157 390 etot -8.1990E+01 mv 1 37 42 -99 0 c 42 1.8 0.0 - 4 e 265 370 etot -8.2323E+01 mv 1 37 125 -45 0 - 4 e 588 352 etot -8.2016E+01 mv 1 37 148 -33 0 - 4 e 528 360 etot -8.1321E+01 mv 1 37 103 -149 0 - 4 e 358 377 etot -7.3135E+01 mv 1 37 122 -44 0 - 4 e 449 366 etot -8.0691E+01 mv 1 37 125 -124 0 - 4 e 178 396 etot -8.0418E+01 mv 1 37 153 -16 0 - 4 e 284 388 etot -7.9919E+01 mv 1 37 42 -150 0 - 4 e 680 353 etot -7.3381E+01 mv 1 37 148 -55 0 - 4 e 398 378 etot -8.0427E+01 mv 1 37 122 -60 0 - 4 e 351 386 etot -7.1914E+01 mv 1 37 42 -179 0 - 4 e 112 403 etot -8.7383E+01 mv 0 37 174 0 0 c 174 0.9 0.0 - 4 e 757 321 etot -8.4838E+01 mv 1 37 28 -34 0 - 4 e 407 380 etot -8.1437E+01 mv 1 37 122 -186 0 - 4 e 105 404 etot -8.6014E+01 mv 0 37 61 0 0 c 61 0.6 0.0 - 4 e 459 374 etot -8.2280E+01 mv 1 37 56 -146 0 - 4 e 130 401 etot -8.5080E+01 mv 0 37 109 0 0 c 109 1.2 0.0 - 4 e 33 414 etot -8.2323E+01 mv 0 37 125 0 0 - 4 e 446 382 etot -7.1832E+01 mv 1 37 159 -162 0 - 4 e 289 384 etot -8.5038E+01 mv 1 37 159 -120 0 c 159 59.2 0.3 -## N0 total= 18 close= 11 far= 0 %acc 61.1 -## N1 total= 102 close= 8 far= 2 %acc 9.8 -## N2 total= 100 close= 6 far= 1 %acc 7.0 -## N3 total= 0 close= 0 far= 0 %acc 0.0 -## N4 total= 0 close= 0 far= 0 %acc 0.0 -## N5 total= 0 close= 0 far= 0 %acc 0.0 -## N6 total= 200 close= 28 far= 2 %acc 15.0 -## N7 total= 0 close= 0 far= 0 %acc 0.0 -## N8 total= 0 close= 0 far= 0 %acc 0.0 -## N9 total= 0 close= 0 far= 0 %acc 0.0 -##N10 total= 0 close= 0 far= 0 %acc 0.0 -##N11 total= 0 close= 0 far= 0 %acc 0.0 -##N12 total= 0 close= 0 far= 0 %acc 0.0 -##N13 total= 0 close= 0 far= 0 %acc 0.0 -##N14 total= 0 close= 0 far= 0 %acc 0.0 -##N15 total= 0 close= 0 far= 0 %acc 0.0 -##N16 total= 0 close= 0 far= 0 %acc 0.0 -##N17 total= 0 close= 0 far= 0 %acc 0.0 -##N18 total= 0 close= 0 far= 0 %acc 0.0 - Time for refresh 38 0.29 - make_var : nseed= 20 ntry= 420 - Time for make trial 39 0.09 -Nonsetup time 78.70 sec, Eval/s = 64363.96 -Time for iter 39 1.90 sec, Eval/s = 68869.78 - UPDATING 420 - 4 e 295 393 etot -7.7434E+01 mv 1 37 74 -130 0 - 4 e 119 419 etot -8.1971E+01 mv 0 37 74 0 0 c 74 1.5 0.0 - 4 e 440 385 etot -7.4154E+01 mv 1 37 159 -57 0 - 4 e 148 412 etot -8.2541E+01 mv 0 37 103 0 0 c 103 0.8 0.0 - 4 e 570 387 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391 etot -7.4940E+01 mv 1 37 74 -87 0 - 4 e 604 372 etot -7.8870E+01 mv 1 37 56 -121 0 - 4 e 523 392 etot -5.9306E+01 mv 1 37 74 -167 0 - 4 e 150 402 etot -8.6236E+01 mv 0 37 35 0 0 c 35 1.3 0.0 - 4 e 97 413 etot -8.4531E+01 mv 0 37 83 0 0 c 83 0.8 0.0 - 4 e 373 381 etot -8.3136E+01 mv 1 37 159 -7 0 - 4 e 407 376 etot -8.1436E+01 mv 1 37 122 -185 0 - 4 e 80 420 etot -8.1894E+01 mv 0 37 153 0 0 - -1 e 1 31 etot 1.3528E+20 mv 6 38 159 66 0 - 4 e 138 5 etot -8.6200E+01 mv 6 38 67 141 0 - 4 e 153 24 etot -8.2522E+01 mv 6 38 72 73 0 - -1 e 1 34 etot 1.0891E+23 mv 6 38 159 65 0 - 4 e 152 13 etot -7.1773E+01 mv 6 38 78 26 0 - 4 e 159 15 etot -7.2166E+01 mv 6 38 78 138 0 - 4 e 188 11 etot -7.3444E+01 mv 6 38 78 28 0 - 4 e 197 32 etot -8.2986E+01 mv 6 38 159 21 0 - 4 e 192 14 etot -8.8359E+01 mv 6 38 78 139 0 - 4 e 193 7 etot -7.8797E+01 mv 6 38 67 80 0 - 4 e 203 4 etot -8.5078E+01 mv 6 38 67 55 0 - 4 e 206 10 etot -7.9670E+01 mv 6 38 67 180 0 - 4 e 213 20 etot -6.9561E+01 mv 6 38 78 1 0 - 4 e 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- 4 e 427 332 etot -6.2939E+01 mv 1 38 39 -136 0 - 4 e 595 302 etot -8.1271E+01 mv 1 38 67 -151 0 - 4 e 248 351 etot -6.4097E+01 mv 1 38 120 -33 0 - 4 e 337 330 etot -8.3844E+01 mv 1 38 58 -12 0 c 58 2.4 0.0 - 4 e 468 319 etot -7.2656E+01 mv 1 38 159 -122 0 - 4 e 299 350 etot -8.1827E+01 mv 1 38 144 -150 0 - 4 e 354 347 etot -7.7652E+01 mv 1 38 144 -164 0 - -1 e 1 374 etot 1.3528E+20 mv 1 38 11 -118 0 - -1 e 1 376 etot 1.3528E+20 mv 1 38 21 -113 0 - 4 e 345 348 etot -7.8119E+01 mv 1 38 144 -16 0 - -1 e 1 378 etot 1.3528E+20 mv 1 38 21 -48 0 - -1 e 1 379 etot 1.3528E+20 mv 1 38 21 -39 0 - 4 e 497 334 etot -7.9355E+01 mv 1 38 39 -93 0 - 4 e 168 366 etot -8.0649E+01 mv 1 38 153 -119 0 - 4 e 364 349 etot -8.4822E+01 mv 1 38 144 -71 0 c 144 124.6 0.9 - 4 e 189 357 etot -6.0836E+01 mv 1 38 148 -55 0 - -1 e 1 384 etot 1.3528E+20 mv 1 38 197 -117 0 - 4 e 508 338 etot -7.3626E+01 mv 1 38 125 -139 0 - 4 e 201 364 etot -8.2525E+01 mv 1 38 111 -126 0 c 111 32.6 0.4 - 4 e 305 355 etot -8.1940E+01 mv 1 38 120 -149 0 - 4 e 239 353 etot -6.9432E+01 mv 1 38 120 -24 0 - 4 e 263 363 etot -8.0693E+01 mv 1 38 111 -14 0 - 4 e 501 346 etot -8.4847E+01 mv 1 38 144 -157 0 c 99 219.9 0.5 - 4 e 574 339 etot -7.2199E+01 mv 1 38 125 -184 0 - 4 e 230 369 etot -8.2065E+01 mv 1 38 153 -31 0 - 4 e 595 343 etot -8.0471E+01 mv 1 38 52 -32 0 - 4 e 233 371 etot -8.1778E+01 mv 1 38 11 -16 0 - 4 e 193 380 etot -8.1311E+01 mv 1 38 21 -61 0 - 4 e 470 333 etot -7.9541E+01 mv 1 38 39 -126 0 - 4 e 342 367 etot -8.1490E+01 mv 1 38 153 -78 0 - 4 e 282 360 etot -8.3424E+01 mv 1 38 148 -51 0 - 4 e 184 386 etot -8.4237E+01 mv 1 38 90 -185 0 - 4 e 356 354 etot -7.5104E+01 mv 1 38 120 -186 0 - 4 e 474 359 etot -7.0498E+01 mv 1 38 148 -72 0 - 4 e 222 370 etot -6.6150E+01 mv 1 38 153 -101 0 - 4 e 255 381 etot -8.6326E+01 mv 1 38 197 -9 0 - 4 e 579 352 etot -7.0058E+01 mv 1 38 120 -35 0 - 4 e 507 362 etot -5.8786E+01 mv 1 38 111 -160 0 - 4 e 577 356 etot -7.8383E+01 mv 1 38 148 -43 0 - 4 e 494 365 etot -7.4285E+01 mv 1 38 111 -24 0 - 4 e 109 402 etot -8.4702E+01 mv 0 38 78 0 0 c 78 0.4 0.0 - 4 e 70 407 etot -8.3716E+01 mv 0 38 39 0 0 c 39 0.5 0.0 - 4 e 111 405 etot -8.4080E+01 mv 0 38 93 0 0 c 93 1.2 0.0 - 4 e 364 387 etot -7.8916E+01 mv 1 38 90 -121 0 - 4 e 260 385 etot -8.4150E+01 mv 1 38 197 -156 0 - 4 e 147 404 etot -8.5039E+01 mv 0 38 159 0 0 c 159 1.1 0.0 - 4 e 649 358 etot -8.3725E+01 mv 1 38 148 -122 0 - 4 e 115 401 etot -8.8656E+01 mv 0 38 67 0 0 - 4 e 307 392 etot -6.9196E+01 mv 1 38 166 -80 0 - 4 e 339 391 etot -7.3727E+01 mv 1 38 166 -104 0 - 4 e 215 400 etot -8.1542E+01 mv 1 38 87 -22 0 - 4 e 112 408 etot -8.3367E+01 mv 0 38 125 0 0 c 125 0.7 0.0 -## N0 total= 22 close= 17 far= 0 %acc 77.3 -## N1 total= 98 close= 7 far= 0 %acc 7.1 -## N2 total= 100 close= 7 far= 2 %acc 9.0 -## N3 total= 0 close= 0 far= 0 %acc 0.0 -## N4 total= 0 close= 0 far= 0 %acc 0.0 -## N5 total= 0 close= 0 far= 0 %acc 0.0 -## N6 total= 200 close= 23 far= 1 %acc 12.0 -## N7 total= 0 close= 0 far= 0 %acc 0.0 -## N8 total= 0 close= 0 far= 0 %acc 0.0 -## N9 total= 0 close= 0 far= 0 %acc 0.0 -##N10 total= 0 close= 0 far= 0 %acc 0.0 -##N11 total= 0 close= 0 far= 0 %acc 0.0 -##N12 total= 0 close= 0 far= 0 %acc 0.0 -##N13 total= 0 close= 0 far= 0 %acc 0.0 -##N14 total= 0 close= 0 far= 0 %acc 0.0 -##N15 total= 0 close= 0 far= 0 %acc 0.0 -##N16 total= 0 close= 0 far= 0 %acc 0.0 -##N17 total= 0 close= 0 far= 0 %acc 0.0 -##N18 total= 0 close= 0 far= 0 %acc 0.0 - Time for refresh 39 0.28 - make_var : nseed= 20 ntry= 420 - Time for make trial 40 0.05 -Nonsetup time 80.54 sec, Eval/s = 64490.43 -Time for iter 40 1.84 sec, Eval/s = 69888.54 - UPDATING 420 - 4 e 370 394 etot -8.2131E+01 mv 1 38 166 -39 0 - 4 e 381 390 etot -7.6128E+01 mv 1 38 90 -169 0 - 4 e 492 375 etot -7.9233E+01 mv 1 38 11 -72 0 - 4 e 611 388 etot -7.9599E+01 mv 1 38 90 -59 0 - 4 e 78 410 etot -8.3908E+01 mv 0 38 144 0 0 - 4 e 286 396 etot -8.0231E+01 mv 1 38 87 -62 0 - 4 e 127 415 etot -8.1778E+01 mv 0 38 11 0 0 c 11 1.2 0.0 - 4 e 495 398 etot -6.9606E+01 mv 1 38 87 -54 0 - 4 e 84 409 etot -8.3289E+01 mv 0 38 52 0 0 - 4 e 81 420 etot -8.1542E+01 mv 0 38 87 0 0 c 87 0.6 0.0 - 4 e 129 417 etot -8.6327E+01 mv 0 38 197 0 0 c 197 1.1 0.0 - 4 e 541 383 etot -7.7199E+01 mv 1 38 197 -15 0 - 4 e 527 377 etot -7.8918E+01 mv 1 38 21 -125 0 - 4 e 127 411 etot -8.3254E+01 mv 0 38 120 0 0 c 120 1.2 0.0 - 4 e 232 406 etot -8.3845E+01 mv 0 38 58 0 0 c 58 0.6 0.0 - -1 e 1 8 etot 1.3528E+20 mv 6 39 44 109 0 - 4 e 640 368 etot -7.7619E+01 mv 1 38 153 -32 0 - 4 e 77 414 etot -8.2065E+01 mv 0 38 153 0 0 c 153 0.4 0.0 - 4 e 100 412 etot -8.3811E+01 mv 0 38 148 0 0 - 4 e 337 393 etot -8.1914E+01 mv 1 38 166 -66 0 - 4 e 155 418 etot -8.4237E+01 mv 0 38 90 0 0 - 4 e 140 419 etot -8.2772E+01 mv 0 38 166 0 0 c 166 2.3 0.0 - 4 e 434 382 etot -8.4690E+01 mv 1 38 197 -169 0 - 4 e 496 395 etot -7.7192E+01 mv 1 38 166 -142 0 - 4 e 128 403 etot -8.4087E+01 mv 0 38 72 0 0 c 72 1.8 0.0 - 4 e 380 372 etot -8.2600E+01 mv 1 38 11 -51 0 - 4 e 411 399 etot 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-7.6842E+01 mv 1 39 12 -77 0 - 4 e 188 395 etot -8.1461E+01 mv 1 39 68 -61 0 c 68 1.3 0.0 - 4 e 87 401 etot -8.4478E+01 mv 0 39 44 0 0 - 4 e 96 403 etot -8.5026E+01 mv 0 39 90 0 0 - 4 e 451 374 etot -8.7063E+01 mv 1 39 192 -129 0 - 4 e 65 408 etot -8.3921E+01 mv 0 39 80 0 0 - 4 e 530 367 etot -7.5720E+01 mv 1 39 21 -22 0 - 4 e 412 380 etot -8.1648E+01 mv 1 39 12 -34 0 - 4 e 559 362 etot -7.0873E+01 mv 1 39 81 -143 0 - 4 e 136 405 etot -8.4617E+01 mv 0 39 129 0 0 c 129 1.3 0.0 - 4 e 128 407 etot -8.2978E+01 mv 0 39 89 0 0 c 89 4.0 0.0 -## N0 total= 20 close= 11 far= 0 %acc 55.0 -## N1 total= 100 close= 9 far= 0 %acc 9.0 -## N2 total= 100 close= 4 far= 3 %acc 7.0 -## N3 total= 0 close= 0 far= 0 %acc 0.0 -## N4 total= 0 close= 0 far= 0 %acc 0.0 -## N5 total= 0 close= 0 far= 0 %acc 0.0 -## N6 total= 200 close= 26 far= 5 %acc 15.5 -## N7 total= 0 close= 0 far= 0 %acc 0.0 -## N8 total= 0 close= 0 far= 0 %acc 0.0 -## N9 total= 0 close= 0 far= 0 %acc 0.0 -##N10 total= 0 close= 0 far= 0 %acc 0.0 -##N11 total= 0 close= 0 far= 0 %acc 0.0 -##N12 total= 0 close= 0 far= 0 %acc 0.0 -##N13 total= 0 close= 0 far= 0 %acc 0.0 -##N14 total= 0 close= 0 far= 0 %acc 0.0 -##N15 total= 0 close= 0 far= 0 %acc 0.0 -##N16 total= 0 close= 0 far= 0 %acc 0.0 -##N17 total= 0 close= 0 far= 0 %acc 0.0 -##N18 total= 0 close= 0 far= 0 %acc 0.0 - Time for refresh 40 0.28 - make_var : nseed= 20 ntry= 420 - Time for make trial 41 0.08 -Nonsetup time 82.38 sec, Eval/s = 64615.71 -Time for iter 41 1.84 sec, Eval/s = 70111.32 - UPDATING 420 - 4 e 414 387 etot -7.3425E+01 mv 1 39 151 -25 0 - 4 e 532 378 etot -8.1255E+01 mv 1 39 12 -120 0 - 4 e 100 414 etot -8.2242E+01 mv 0 39 21 0 0 - 4 e 523 383 etot -8.1907E+01 mv 1 39 34 -143 0 c 34 18.8 0.3 - 4 e 129 419 etot -8.1461E+01 mv 0 39 68 0 0 c 68 1.1 0.0 - 4 e 526 386 etot -8.1754E+01 mv 1 39 151 -143 0 c 151 38.8 0.2 - 4 e 526 391 etot -8.2640E+01 mv 1 39 68 -121 0 c 68 136.6 1.2 - 4 e 582 388 etot -6.8462E+01 mv 1 39 151 -54 0 - 4 e 134 417 etot 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- 4 e 191 375 etot -8.1962E+01 mv 1 40 163 -91 0 - 4 e 124 381 etot -6.4602E+01 mv 1 40 9 -114 0 - -1 e 1 396 etot 4.6571E+26 mv 1 40 118 -125 0 - -1 e 1 397 etot 1.3528E+20 mv 1 40 118 -178 0 - 4 e 209 380 etot -7.2832E+01 mv 1 40 44 -151 0 - 4 e 664 344 etot -7.9243E+01 mv 1 40 121 -126 0 - 4 e 273 371 etot -8.2161E+01 mv 1 40 163 -18 0 c 163 2.2 0.0 - 4 e 683 343 etot -6.9533E+01 mv 1 40 121 -58 0 - 4 e 253 377 etot -7.2813E+01 mv 1 40 44 -181 0 - 4 e 485 357 etot -6.6334E+01 mv 1 40 166 -151 0 - 4 e 345 372 etot -7.4622E+01 mv 1 40 163 -124 0 - 4 e 290 378 etot -8.3355E+01 mv 1 40 44 -118 0 - 4 e 64 402 etot -8.5824E+01 mv 0 40 90 0 0 - 4 e 311 376 etot -8.4489E+01 mv 1 40 44 -177 0 - 4 e 275 368 etot -7.6885E+01 mv 1 40 130 -157 0 - 4 e 216 387 etot -7.8021E+01 mv 1 40 17 -185 0 - 4 e 213 386 etot -8.1365E+01 mv 1 40 17 -74 0 c 17 2.0 0.0 - 4 e 49 404 etot -8.4983E+01 mv 0 40 53 0 0 c 53 0.5 0.0 - 4 e 239 388 etot -5.8134E+01 mv 1 40 17 -71 0 - 4 e 391 358 etot -7.7132E+01 mv 1 40 166 -182 0 - 4 e 176 391 etot -6.6024E+01 mv 1 40 21 -131 0 - 4 e 366 379 etot -8.4477E+01 mv 1 40 44 -52 0 - 4 e 122 403 etot -8.4849E+01 mv 0 40 99 0 0 c 99 0.9 0.0 - 4 e 407 374 etot -8.1268E+01 mv 1 40 163 -144 0 - 4 e 80 408 etot -8.3542E+01 mv 0 40 179 0 0 - 4 e 99 406 etot -8.3879E+01 mv 0 40 77 0 0 c 77 1.0 0.0 -## N0 total= 19 close= 11 far= 0 %acc 57.9 -## N1 total= 101 close= 9 far= 0 %acc 8.9 -## N2 total= 100 close= 4 far= 0 %acc 4.0 -## N3 total= 0 close= 0 far= 0 %acc 0.0 -## N4 total= 0 close= 0 far= 0 %acc 0.0 -## N5 total= 0 close= 0 far= 0 %acc 0.0 -## N6 total= 200 close= 21 far= 2 %acc 11.5 -## N7 total= 0 close= 0 far= 0 %acc 0.0 -## N8 total= 0 close= 0 far= 0 %acc 0.0 -## N9 total= 0 close= 0 far= 0 %acc 0.0 -##N10 total= 0 close= 0 far= 0 %acc 0.0 -##N11 total= 0 close= 0 far= 0 %acc 0.0 -##N12 total= 0 close= 0 far= 0 %acc 0.0 -##N13 total= 0 close= 0 far= 0 %acc 0.0 -##N14 total= 0 close= 0 far= 0 %acc 0.0 -##N15 total= 0 close= 0 far= 0 %acc 0.0 -##N16 total= 0 close= 0 far= 0 %acc 0.0 -##N17 total= 0 close= 0 far= 0 %acc 0.0 -##N18 total= 0 close= 0 far= 0 %acc 0.0 - Time for refresh 41 0.36 - make_var : nseed= 20 ntry= 420 - Time for make trial 42 0.04 -Nonsetup time 84.27 sec, Eval/s = 64663.72 -Time for iter 42 1.89 sec, Eval/s = 66755.70 - UPDATING 420 - 4 e 222 395 etot -8.3899E+01 mv 1 40 21 -52 0 c 21 1.8 0.0 - 4 e 125 412 etot -8.2888E+01 mv 0 40 166 0 0 - 4 e 643 367 etot -7.0395E+01 mv 1 40 130 -69 0 - 4 e 74 413 etot -8.2825E+01 mv 0 40 81 0 0 c 81 0.8 0.0 - 4 e 215 401 etot -8.4073E+01 mv 0 40 148 0 0 - 4 e 107 411 etot -8.3296E+01 mv 0 40 142 0 0 c 142 1.1 0.0 - 4 e 142 405 etot -8.4603E+01 mv 0 40 65 0 0 c 65 3.6 0.0 - 4 e 446 385 etot -8.0443E+01 mv 1 40 9 -54 0 - 4 e 885 373 etot -8.3777E+01 mv 1 40 163 -108 0 - -1 e 1 2 etot 1.3528E+20 mv 6 41 162 41 0 - 4 e 384 393 etot -7.6265E+01 mv 1 40 21 -59 0 - 4 e 111 418 etot -8.1365E+01 mv 0 40 17 0 0 c 17 1.2 0.0 - 4 e 316 399 etot -7.8426E+01 mv 1 40 118 -68 0 - 4 e 490 390 etot -8.0549E+01 mv 1 40 17 -53 0 - 4 e 272 394 etot -8.0533E+01 mv 1 40 21 -52 0 - 4 e 130 407 etot -8.6160E+01 mv 0 40 26 0 0 c 26 1.5 0.0 - -1 e 1 8 etot 1.3528E+20 mv 6 41 162 75 0 - 4 e 148 410 etot -8.3043E+01 mv 0 40 114 0 0 - 4 e 135 417 etot -8.1941E+01 mv 0 40 9 0 0 - 4 e 108 419 etot -8.3899E+01 mv 0 40 21 0 0 c 21 1.0 0.0 - 4 e 480 384 etot -8.1946E+01 mv 1 40 9 -16 0 - 4 e 428 389 etot -8.1364E+01 mv 1 40 17 -87 0 - 4 e 78 416 etot -8.4500E+01 mv 0 40 44 0 0 c 44 0.7 0.0 - 4 e 138 420 etot -8.2591E+01 mv 0 40 118 0 0 c 118 1.6 0.0 - 4 e 179 400 etot -8.2591E+01 mv 1 40 118 -183 0 - 4 e 107 415 etot -8.2161E+01 mv 0 40 163 0 0 c 163 1.0 0.0 - -1 e 1 18 etot 1.3528E+20 mv 6 41 114 170 0 - 4 e 114 409 etot -8.3236E+01 mv 0 40 121 0 0 c 121 2.1 0.0 - 4 e 403 382 etot -7.8630E+01 mv 1 40 9 -180 0 - 4 e 622 352 etot -7.3501E+01 mv 1 40 142 -149 0 - 4 e 460 365 etot -8.0569E+01 mv 1 40 81 -67 0 - 4 e 322 398 etot -8.2194E+01 mv 1 40 118 -58 0 - 4 e 93 414 etot -8.3323E+01 mv 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0 - 4 e 250 300 etot -7.2219E+01 mv 2 41 179 -36 0 - 4 e 276 297 etot -6.9616E+01 mv 2 41 179 -53 0 - 4 e 324 281 etot -8.2391E+01 mv 2 41 187 -107 0 - 4 e 374 291 etot -8.1044E+01 mv 2 41 86 -152 0 - 4 e 328 294 etot -8.3031E+01 mv 2 41 86 -56 0 - 4 e 625 277 etot -6.5890E+01 mv 2 41 7 -84 0 - 4 e 407 279 etot -6.2848E+01 mv 2 41 7 -102 0 - 4 e 274 306 etot -8.3980E+01 mv 1 41 114 -166 0 - 4 e 345 301 etot -7.0401E+01 mv 1 41 162 -114 0 - 4 e 527 268 etot -8.0423E+01 mv 2 41 34 -27 0 - 4 e 241 303 etot -7.8845E+01 mv 1 41 162 -151 0 - 4 e 576 285 etot -7.6141E+01 mv 2 41 187 -93 0 - 4 e 537 287 etot -7.1300E+01 mv 2 41 85 -181 0 - 4 e 325 305 etot -7.1916E+01 mv 1 41 162 -141 0 - 4 e 349 304 etot -8.5230E+01 mv 1 41 162 -186 0 - 4 e 212 316 etot -8.3672E+01 mv 1 41 68 -137 0 - 4 e 314 307 etot -7.3214E+01 mv 1 41 114 -62 0 - 4 e 383 302 etot -8.4822E+01 mv 1 41 162 -111 0 - 4 e 281 312 etot -6.7467E+01 mv 1 41 161 -102 0 - 4 e 537 293 etot -6.6584E+01 mv 2 41 86 -37 0 - 4 e 226 320 etot -8.3672E+01 mv 1 41 68 -49 0 - 4 e 533 296 etot -8.4364E+01 mv 2 41 179 -200 0 - 4 e 237 323 etot -8.0035E+01 mv 1 41 130 -19 0 - 4 e 371 310 etot -8.4093E+01 mv 1 41 114 -91 0 c 114 138.5 0.1 - 4 e 407 295 etot -8.8832E+01 mv 2 41 86 -6 0 - 4 e 421 309 etot -8.1266E+01 mv 1 41 114 -184 0 - 4 e 206 328 etot -8.2084E+01 mv 1 41 166 -67 0 - 4 e 229 332 etot -7.7307E+01 mv 1 41 127 -142 0 - 4 e 236 331 etot -8.3038E+01 mv 1 41 127 -101 0 - 4 e 530 308 etot -7.5050E+01 mv 1 41 114 -88 0 - 4 e 312 315 etot -8.7937E+01 mv 1 41 161 -187 0 - 4 e 178 340 etot -8.6248E+01 mv 1 41 90 -26 0 - 4 e 505 313 etot -6.7189E+01 mv 1 41 161 -36 0 - 4 e 212 330 etot -8.2973E+01 mv 1 41 166 -128 0 - 4 e 412 324 etot -7.7884E+01 mv 1 41 130 -4 0 - -1 e 1 354 etot 1.3528E+20 mv 1 41 63 -160 0 - 4 e 204 341 etot -8.2915E+01 mv 1 41 155 -63 0 - 4 e 291 336 etot -8.6031E+01 mv 1 41 90 -30 0 - 4 e 295 322 etot -8.1180E+01 mv 1 41 130 -174 0 - 4 e 245 329 etot -8.2973E+01 mv 1 41 166 -148 0 - -1 e 1 359 etot 1.3528E+20 mv 1 41 144 -129 0 - 4 e 551 292 etot -7.6510E+01 mv 2 41 86 -10 0 - 4 e 402 327 etot -7.8149E+01 mv 1 41 166 -127 0 - 4 e 351 333 etot -8.0998E+01 mv 1 41 127 -83 0 - 4 e 372 318 etot -6.7678E+01 mv 1 41 68 -143 0 - 4 e 338 337 etot -6.7094E+01 mv 1 41 90 -4 0 - 4 e 197 345 etot -8.2916E+01 mv 1 41 155 -131 0 c 155 1.1 0.0 - 4 e 296 326 etot -8.2973E+01 mv 1 41 166 -137 0 - 4 e 595 317 etot -7.2224E+01 mv 1 41 68 -43 0 - 4 e 374 338 etot -6.8381E+01 mv 1 41 90 -85 0 - 4 e 473 325 etot -8.3490E+01 mv 1 41 130 -43 0 - 4 e 601 319 etot -7.7092E+01 mv 1 41 68 -85 0 - 4 e 564 321 etot -8.3489E+01 mv 1 41 130 -34 0 - -1 e 1 372 etot 2.1991E+24 mv 1 41 151 -179 0 - 4 e 266 346 etot -8.2645E+01 mv 1 41 177 -189 0 - -1 e 1 374 etot 1.3533E+20 mv 1 41 151 -94 0 - 4 e 452 334 etot -8.1606E+01 mv 1 41 127 -152 0 - 4 e 207 355 etot -8.2244E+01 mv 1 41 63 -89 0 c 63 1.3 0.0 - 4 e 249 344 etot -8.1708E+01 mv 1 41 155 -120 0 - 4 e 469 339 etot -7.8119E+01 mv 1 41 90 -45 0 - 4 e 130 360 etot -8.4823E+01 mv 1 41 144 -113 0 c 144 1.1 0.0 - 4 e 162 358 etot -7.0330E+01 mv 1 41 144 -164 0 - 4 e 325 348 etot -6.5435E+01 mv 1 41 177 -148 0 - 4 e 275 351 etot -7.7700E+01 mv 1 41 63 -64 0 - 4 e 556 335 etot -8.2222E+01 mv 1 41 127 -198 0 f 17 417.4 0.9 - 4 e 271 357 etot -8.4822E+01 mv 1 41 144 -64 0 - 4 e 356 347 etot -7.9588E+01 mv 1 41 177 -13 0 - 4 e 495 342 etot -7.5668E+01 mv 1 41 155 -193 0 - 4 e 331 356 etot -8.2649E+01 mv 1 41 144 -14 0 - 4 e 278 365 etot -7.8661E+01 mv 1 41 9 -38 0 - 4 e 299 366 etot -8.1908E+01 mv 1 41 34 -57 0 c 34 8.3 0.0 - 4 e 255 353 etot -7.6462E+01 mv 1 41 63 -51 0 - 4 e 397 352 etot -7.2984E+01 mv 1 41 63 -39 0 - -1 e 1 392 etot 1.3528E+20 mv 1 41 86 -177 0 - 4 e 354 362 etot -8.0947E+01 mv 1 41 9 -56 0 - 4 e 454 349 etot -8.3010E+01 mv 1 41 177 -155 0 - 4 e 235 376 etot -8.1724E+01 mv 1 41 7 -109 0 c 7 5.0 0.0 - 4 e 200 379 etot -6.8723E+01 mv 1 41 7 -120 0 - 4 e 288 361 etot -8.2132E+01 mv 1 41 9 -37 0 c 9 2.1 0.0 - 4 e 325 370 etot -8.1512E+01 mv 1 41 34 -93 0 - 8 e 126 388 etot -6.3997E+01 mv 1 41 85 -60 0 - 4 e 337 371 etot -7.2792E+01 mv 1 41 151 -99 0 - 4 e 159 381 etot -8.2391E+01 mv 1 41 187 -5 0 - 4 e 662 343 etot -7.8190E+01 mv 1 41 155 -23 0 - 4 e 377 375 etot -7.4728E+01 mv 1 41 151 -149 0 - 4 e 396 373 etot -7.7344E+01 mv 1 41 151 -10 0 - 4 e 422 369 etot -7.5966E+01 mv 1 41 34 -95 0 - 4 e 466 368 etot -5.3283E+01 mv 1 41 34 -22 0 - 4 e 106 401 etot -8.6976E+01 mv 0 41 162 0 0 c 162 0.8 0.0 - 4 e 62 405 etot -8.3492E+01 mv 0 41 130 0 0 c 130 0.8 0.0 - 4 e 351 382 etot -6.2453E+01 mv 1 41 187 -170 0 - 4 e 183 396 etot -8.4367E+01 mv 1 41 179 -67 0 c 179 3.7 0.0 - 4 e 109 403 etot -8.8223E+01 mv 0 41 161 0 0 - 4 e 79 406 etot -8.2974E+01 mv 0 41 166 0 0 c 166 0.5 0.0 - 4 e 270 380 etot -8.1426E+01 mv 1 41 7 -14 0 - 4 e 62 408 etot -8.6248E+01 mv 0 41 90 0 0 - 4 e 258 395 etot -8.7051E+01 mv 1 41 86 -193 0 - 4 e 286 393 etot -8.7713E+01 mv 1 41 86 -20 0 - 4 e 131 402 etot -8.3980E+01 mv 0 41 114 0 0 - 4 e 136 404 etot -8.3673E+01 mv 0 41 68 0 0 c 68 1.2 0.0 - 4 e 77 409 etot -8.2916E+01 mv 0 41 155 0 0 c 155 0.6 0.0 -## N0 total= 23 close= 15 far= 0 %acc 65.2 -## N1 total= 97 close= 9 far= 1 %acc 10.3 -## N2 total= 100 close= 8 far= 0 %acc 8.0 -## N3 total= 0 close= 0 far= 0 %acc 0.0 -## N4 total= 0 close= 0 far= 0 %acc 0.0 -## N5 total= 0 close= 0 far= 0 %acc 0.0 -## N6 total= 200 close= 15 far= 1 %acc 8.0 -## N7 total= 0 close= 0 far= 0 %acc 0.0 -## N8 total= 0 close= 0 far= 0 %acc 0.0 -## N9 total= 0 close= 0 far= 0 %acc 0.0 -##N10 total= 0 close= 0 far= 0 %acc 0.0 -##N11 total= 0 close= 0 far= 0 %acc 0.0 -##N12 total= 0 close= 0 far= 0 %acc 0.0 -##N13 total= 0 close= 0 far= 0 %acc 0.0 -##N14 total= 0 close= 0 far= 0 %acc 0.0 -##N15 total= 0 close= 0 far= 0 %acc 0.0 -##N16 total= 0 close= 0 far= 0 %acc 0.0 -##N17 total= 0 close= 0 far= 0 %acc 0.0 -##N18 total= 0 close= 0 far= 0 %acc 0.0 - Time for refresh 42 0.25 - make_var : nseed= 20 ntry= 420 - Time for make trial 43 0.04 -Nonsetup time 86.00 sec, Eval/s = 64792.65 -Time for iter 43 1.73 sec, Eval/s = 71070.92 - UPDATING 420 - 4 e 361 390 etot -8.0518E+01 mv 1 41 85 -183 0 - 4 e 115 410 etot -8.2646E+01 mv 0 41 177 0 0 c 177 0.9 0.0 - 4 e 89 419 etot -8.8832E+01 mv 0 41 86 0 0 c 86 0.6 0.0 - 4 e 451 399 etot -8.3919E+01 mv 1 41 179 -107 0 - 4 e 419 386 etot -7.2470E+01 mv 1 41 85 -9 0 - 4 e 120 415 etot -8.1756E+01 mv 0 41 151 0 0 c 151 0.8 0.0 - 4 e 86 412 etot -8.4823E+01 mv 0 41 144 0 0 c 144 0.7 0.0 - 4 e 119 411 etot -8.2244E+01 mv 0 41 63 0 0 c 63 0.9 0.0 - 4 e 533 383 etot -7.5857E+01 mv 1 41 187 -60 0 - 4 e 132 420 etot -8.4367E+01 mv 0 41 179 0 0 c 179 1.8 0.0 - 4 e 449 384 etot -6.2193E+01 mv 1 41 187 -165 0 - 4 e 188 407 etot -8.3039E+01 mv 0 41 127 0 0 c 127 1.1 0.0 - 4 e 134 413 etot -8.2132E+01 mv 0 41 9 0 0 c 9 1.5 0.0 - 4 e 38 417 etot -8.2391E+01 mv 0 41 187 0 0 c 187 0.1 0.0 - 4 e 720 363 etot -7.1773E+01 mv 1 41 9 -71 0 - 4 e 525 397 etot -7.7200E+01 mv 1 41 179 -40 0 - 4 e 480 377 etot -6.5927E+01 mv 1 41 7 -62 0 - -1 e 1 9 etot 2.8218E+20 mv 6 42 17 29 0 - 4 e 602 385 etot -8.0242E+01 mv 1 41 187 -105 0 - 4 e 252 400 etot -8.3173E+01 mv 1 41 179 -96 0 - 4 e 167 416 etot -8.1724E+01 mv 0 41 7 0 0 c 7 2.5 0.0 - 4 e 361 394 etot -8.8832E+01 mv 1 41 86 -187 0 - 4 e 576 389 etot -8.1825E+01 mv 1 41 85 -165 0 f 19 447.3 0.4 - 4 e 525 387 etot -7.1703E+01 mv 1 41 85 -198 0 - 4 e 564 350 etot -8.2643E+01 mv 1 41 177 -84 0 - 4 e 554 364 etot -7.8102E+01 mv 1 41 9 -7 0 - 4 e 443 398 etot -7.4211E+01 mv 1 41 179 -128 0 - 4 e 107 418 etot -8.1349E+01 mv 0 41 85 0 0 - 4 e 425 391 etot -8.3090E+01 mv 1 41 86 -188 0 - 4 e 400 378 etot -7.2058E+01 mv 1 41 7 -104 0 - 4 e 566 367 etot -7.9178E+01 mv 1 41 34 -144 0 - 4 e 169 414 etot -8.1909E+01 mv 0 41 34 0 0 c 34 4.6 0.0 - -1 e 1 27 etot 1.3528E+20 mv 6 42 83 141 0 - 4 e 67 17 etot -8.1568E+01 mv 6 42 76 30 0 c 30 0.6 0.0 - 4 e 93 33 etot -8.6266E+01 mv 6 42 85 193 0 c 193 0.6 0.0 - 4 e 134 22 etot -8.2713E+01 mv 6 42 83 189 0 - -1 e 1 36 etot 2.2143E+21 mv 6 42 85 9 0 - -1 e 1 37 etot 1.3528E+20 mv 6 42 85 188 0 - 4 e 215 19 etot -8.5875E+01 mv 6 42 76 148 0 c 76 2.6 0.0 - -1 e 1 39 etot 5.8089E+24 mv 6 42 85 137 0 - 4 e 224 11 etot -6.9981E+01 mv 6 42 76 125 0 - 4 e 225 10 etot -8.0416E+01 mv 6 42 17 44 0 - -1 e 1 42 etot 1.3528E+20 mv 6 42 90 80 0 - 4 e 253 7 etot -8.0415E+01 mv 6 42 17 129 0 - 4 e 206 2 etot -8.2225E+01 mv 6 42 17 138 0 c 17 5.9 0.0 - 4 e 269 5 etot -8.6186E+01 mv 6 42 17 176 0 - 4 e 255 1 etot -7.0504E+01 mv 6 42 17 111 0 - -1 e 1 47 etot 1.3528E+20 mv 6 42 90 140 0 - 4 e 285 20 etot -8.2032E+01 mv 6 42 76 188 0 - 4 e 283 26 etot -6.9539E+01 mv 6 42 83 49 0 - -1 e 1 50 etot 1.3528E+20 mv 6 42 90 66 0 - 4 e 318 4 etot -8.5013E+01 mv 6 42 17 180 0 - 4 e 273 12 etot -7.2294E+01 mv 6 42 76 65 0 - 4 e 272 24 etot -8.3995E+01 mv 6 42 83 100 0 - 4 e 316 23 etot -7.7906E+01 mv 6 42 83 161 0 - 4 e 323 13 etot -7.8968E+01 mv 6 42 76 195 0 - 4 e 301 28 etot -8.5938E+01 mv 6 42 83 122 0 c 122 121.2 0.6 - 4 e 362 29 etot -8.5722E+01 mv 6 42 83 192 0 - 4 e 399 16 etot -8.1647E+01 mv 6 42 76 74 0 - 4 e 276 35 etot -8.6139E+01 mv 6 42 85 130 0 c 4 235.4 0.0 - 4 e 348 34 etot -8.4213E+01 mv 6 42 85 114 0 - 4 e 384 32 etot -8.1134E+01 mv 6 42 85 105 0 - 4 e 142 45 etot -7.7201E+01 mv 6 42 90 146 0 - 4 e 387 30 etot -8.4852E+01 mv 6 42 83 57 0 - 4 e 438 14 etot -8.4957E+01 mv 6 42 76 9 0 - 4 e 426 21 etot -8.7216E+01 mv 6 42 83 15 0 - -1 e 1 66 etot 2.0339E+24 mv 6 42 114 173 0 - 4 e 533 6 etot -8.0178E+01 mv 6 42 17 143 0 - -1 e 1 68 etot 1.3528E+20 mv 6 42 114 180 0 - 4 e 416 3 etot -7.8230E+01 mv 6 42 17 33 0 - 4 e 200 53 etot -8.3603E+01 mv 6 42 99 163 0 - 4 e 262 52 etot -8.4797E+01 mv 6 42 99 181 0 - 4 e 318 44 etot -8.7007E+01 mv 6 42 90 99 0 - 4 e 328 46 etot -8.5982E+01 mv 6 42 90 123 0 - 4 e 506 15 etot -8.1387E+01 mv 6 42 76 56 0 - 4 e 269 43 etot -8.5631E+01 mv 6 42 90 35 0 - 4 e 417 38 etot -7.9560E+01 mv 6 42 85 56 0 - 4 e 532 18 etot -8.2240E+01 mv 6 42 76 63 0 - 4 e 242 55 etot -8.6348E+01 mv 6 42 99 154 0 - 4 e 334 40 etot -8.4717E+01 mv 6 42 85 101 0 c 94 322.2 1.3 - 4 e 262 49 etot -7.8931E+01 mv 6 42 90 176 0 - 4 e 198 65 etot -8.2718E+01 mv 6 42 114 21 0 - 4 e 355 54 etot -8.3084E+01 mv 6 42 99 134 0 - 4 e 504 25 etot -8.4956E+01 mv 6 42 83 76 0 - 4 e 584 31 etot -7.8976E+01 mv 6 42 85 41 0 - 4 e 301 48 etot -8.7007E+01 mv 6 42 90 37 0 - 4 e 436 41 etot -6.8418E+01 mv 6 42 90 12 0 - 4 e 638 8 etot -7.6288E+01 mv 6 42 17 174 0 - -1 e 1 88 etot 1.3528E+20 mv 6 42 147 28 0 - 4 e 247 57 etot -8.2135E+01 mv 6 42 99 64 0 - 4 e 264 60 etot -8.5061E+01 mv 6 42 99 134 0 - 4 e 263 62 etot -8.3754E+01 mv 6 42 114 190 0 - 4 e 213 77 etot -8.3366E+01 mv 6 42 122 125 0 - 4 e 251 63 etot -8.2062E+01 mv 6 42 114 127 0 - 4 e 329 59 etot -7.3806E+01 mv 6 42 99 66 0 - 4 e 395 51 etot -7.6380E+01 mv 6 42 99 185 0 - 4 e 374 69 etot -7.9036E+01 mv 6 42 114 42 0 - 4 e 197 82 etot -6.6872E+01 mv 6 42 147 11 0 - -1 e 1 98 etot 1.3528E+20 mv 6 42 148 56 0 - 4 e 508 56 etot -8.6299E+01 mv 6 42 99 180 0 - -1 e 1 100 etot 1.3528E+20 mv 6 42 148 125 0 - 4 e 384 71 etot -8.5336E+01 mv 6 42 122 37 0 - 4 e 373 75 etot -8.2098E+01 mv 6 42 122 175 0 - 4 e 370 58 etot -8.3382E+01 mv 6 42 99 125 0 c 125 169.0 0.0 - -1 e 1 104 etot 1.3528E+20 mv 6 42 161 20 0 - 4 e 340 64 etot -7.8724E+01 mv 6 42 114 43 0 - 4 e 311 81 etot -7.9001E+01 mv 6 42 147 139 0 - -1 e 1 107 etot 1.3528E+20 mv 6 42 161 119 0 - 4 e 21 108 etot -9.2233E+01 mv 6 42 161 104 0 c 104 0.0 0.0 - 4 e 331 94 etot -9.0694E+01 mv 6 42 148 29 0 - 4 e 493 70 etot -7.4912E+01 mv 6 42 114 159 0 - 4 e 503 72 etot -9.0898E+01 mv 6 42 122 48 0 - 4 e 510 74 etot -8.2856E+01 mv 6 42 122 133 0 c 153 343.9 0.8 - 4 e 321 97 etot -7.5453E+01 mv 6 42 148 189 0 - 4 e 492 73 etot -8.0245E+01 mv 6 42 122 154 0 - 4 e 434 89 etot -7.7587E+01 mv 6 42 147 57 0 - 4 e 443 78 etot -7.5808E+01 mv 6 42 122 54 0 - -1 e 1 110 etot 5.3746E+25 mv 6 42 161 108 0 - 4 e 429 76 etot -8.5560E+01 mv 6 42 122 117 0 - 4 e 330 87 etot -7.3643E+01 mv 6 42 147 22 0 - 4 e 347 99 etot -7.7604E+01 mv 6 42 148 49 0 - -1 e 1 113 etot 1.3528E+20 mv 6 42 93 6 0 - 4 e 224 103 etot -8.3133E+01 mv 6 42 161 156 0 c 156 21.6 0.3 - 4 e 713 61 etot -8.3955E+01 mv 6 42 114 118 0 - 4 e 350 80 etot -7.6935E+01 mv 6 42 122 36 0 - -1 e 1 109 etot 1.3528E+20 mv 6 42 161 112 0 - 4 e 634 67 etot -8.1834E+01 mv 6 42 114 142 0 - 4 e 328 93 etot -8.5662E+01 mv 6 42 148 15 0 c 148 10.6 0.0 - 4 e 475 83 etot -8.0238E+01 mv 6 42 147 100 0 - -1 e 1 122 etot 1.3528E+20 mv 6 42 8 44 0 - -1 e 1 121 etot 1.3528E+20 mv 6 42 8 75 0 - 4 e 322 84 etot -7.7003E+01 mv 6 42 147 83 0 - 4 e 259 91 etot -8.5672E+01 mv 6 42 148 52 0 c 148 93.6 0.0 - 4 e 214 90 etot -8.8222E+01 mv 6 42 147 86 0 - 4 e 270 85 etot -8.5499E+01 mv 6 42 147 18 0 c 3 125.0 0.6 - 4 e 284 92 etot -8.9421E+01 mv 6 42 148 117 0 - 4 e 359 101 etot -8.8242E+01 mv 6 42 161 144 0 - 4 e 459 86 etot -7.8724E+01 mv 6 42 147 52 0 - 4 e 453 95 etot -7.7544E+01 mv 6 42 148 173 0 - 4 e 698 79 etot -8.5736E+01 mv 6 42 122 34 0 f 59 401.7 4.2 - 4 e 524 102 etot -8.1776E+01 mv 6 42 161 52 0 - 4 e 163 125 etot -6.9228E+01 mv 6 42 8 115 0 - 4 e 144 136 etot -6.4465E+01 mv 6 42 1 50 0 - 4 e 373 105 etot -7.9785E+01 mv 6 42 161 138 0 - 4 e 225 123 etot -8.9200E+01 mv 6 42 8 5 0 - 4 e 236 131 etot -7.1349E+01 mv 6 42 1 123 0 - 4 e 225 124 etot -9.0746E+01 mv 6 42 8 170 0 - 4 e 228 115 etot -7.3025E+01 mv 6 42 93 173 0 - 4 e 235 137 etot -8.2540E+01 mv 6 42 1 103 0 - 4 e 240 128 etot -8.3817E+01 mv 6 42 8 164 0 - 4 e 278 116 etot -7.7314E+01 mv 6 42 93 128 0 - 4 e 480 96 etot -8.4153E+01 mv 6 42 148 188 0 c 95 98.7 0.7 - 4 e 291 119 etot -7.6554E+01 mv 6 42 93 132 0 - -1 e 1 152 etot 1.3528E+20 mv 6 42 174 121 0 - 4 e 302 111 etot -8.3419E+01 mv 6 42 93 42 0 - 4 e 229 126 etot -8.7631E+01 mv 6 42 8 53 0 - 4 e 282 120 etot -7.8061E+01 mv 6 42 93 164 0 - 4 e 319 118 etot -8.4079E+01 mv 6 42 93 123 0 - 4 e 312 138 etot -8.5981E+01 mv 6 42 1 61 0 - 4 e 332 117 etot -8.3695E+01 mv 6 42 93 44 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381 etot -8.8359E+01 mv 1 42 139 188 0 - 4 e 184 387 etot -8.6996E+01 mv 1 42 79 76 0 - 4 e 280 377 etot -8.7383E+01 mv 1 42 174 -187 0 - 4 e 232 380 etot -8.7383E+01 mv 1 42 174 -161 0 - 4 e 169 390 etot -8.6996E+01 mv 1 42 79 21 0 - 4 e 241 383 etot -7.0176E+01 mv 1 42 139 20 0 - 4 e 405 367 etot -8.2790E+01 mv 1 42 1 74 0 - 4 e 345 374 etot -8.7117E+01 mv 1 42 124 -96 0 - 4 e 231 389 etot -8.3765E+01 mv 1 42 79 -100 0 f 40 365.1 2.1 - 4 e 78 403 etot -8.5091E+01 mv 0 42 83 0 0 c 83 1.3 0.0 - 4 e 83 404 etot -8.5025E+01 mv 0 42 85 0 0 c 85 1.6 0.0 - 4 e 81 405 etot -8.7008E+01 mv 0 42 90 0 0 c 90 1.0 0.0 - 4 e 82 406 etot -8.5062E+01 mv 0 42 99 0 0 c 99 1.3 0.0 - 4 e 67 409 etot -8.5453E+01 mv 0 42 147 0 0 - 4 e 118 402 etot -8.5875E+01 mv 0 42 76 0 0 c 76 1.5 0.0 - 4 e 16 416 etot -8.7383E+01 mv 0 42 174 0 0 - 4 e 91 407 etot -8.4094E+01 mv 0 42 114 0 0 c 114 2.0 0.0 -## N0 total= 20 close= 17 far= 0 %acc 85.0 -## N1 total= 100 close= 8 far= 2 %acc 10.0 -## N2 total= 100 close= 4 far= 3 %acc 7.0 -## N3 total= 0 close= 0 far= 0 %acc 0.0 -## N4 total= 0 close= 0 far= 0 %acc 0.0 -## N5 total= 0 close= 0 far= 0 %acc 0.0 -## N6 total= 200 close= 18 far= 2 %acc 10.0 -## N7 total= 0 close= 0 far= 0 %acc 0.0 -## N8 total= 0 close= 0 far= 0 %acc 0.0 -## N9 total= 0 close= 0 far= 0 %acc 0.0 -##N10 total= 0 close= 0 far= 0 %acc 0.0 -##N11 total= 0 close= 0 far= 0 %acc 0.0 -##N12 total= 0 close= 0 far= 0 %acc 0.0 -##N13 total= 0 close= 0 far= 0 %acc 0.0 -##N14 total= 0 close= 0 far= 0 %acc 0.0 -##N15 total= 0 close= 0 far= 0 %acc 0.0 -##N16 total= 0 close= 0 far= 0 %acc 0.0 -##N17 total= 0 close= 0 far= 0 %acc 0.0 -##N18 total= 0 close= 0 far= 0 %acc 0.0 - Time for refresh 43 0.27 - make_var : nseed= 20 ntry= 420 - Time for make trial 44 0.07 -Nonsetup time 87.87 sec, Eval/s = 64923.76 -Time for iter 44 1.87 sec, Eval/s = 70949.41 - UPDATING 420 - 4 e 249 391 etot -8.6797E+01 mv 1 42 157 168 0 - 4 e 67 413 etot -8.9201E+01 mv 0 42 8 0 0 c 8 0.2 0.0 - 4 e 44 417 etot 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etot -8.5937E+01 mv 1 43 122 -188 0 - 4 e 389 376 etot -8.2917E+01 mv 1 43 125 -11 0 - 4 e 195 393 etot -8.1716E+01 mv 1 43 156 -18 0 - 4 e 85 401 etot -8.5500E+01 mv 0 43 3 0 0 c 3 0.5 0.0 - 4 e 87 402 etot -8.6139E+01 mv 0 43 4 0 0 - 4 e 381 367 etot -8.0231E+01 mv 1 43 122 -72 0 - 4 e 386 379 etot -8.3223E+01 mv 1 43 125 -171 0 - 4 e 425 378 etot -7.8879E+01 mv 1 43 125 -193 0 - 4 e 89 404 etot -8.3340E+01 mv 0 43 30 0 0 - 4 e 487 372 etot -8.3682E+01 mv 1 43 124 -31 0 - 4 e 378 389 etot -8.4383E+01 mv 1 43 153 -173 0 - 4 e 291 385 etot -8.6137E+01 mv 1 43 148 -164 0 c 148 149.0 0.3 - 4 e 155 403 etot -8.1827E+01 mv 0 43 19 0 0 - 4 e 353 390 etot -8.4383E+01 mv 1 43 153 -22 0 - 4 e 329 391 etot -7.9786E+01 mv 1 43 156 -76 0 -## N0 total= 16 close= 8 far= 0 %acc 50.0 -## N1 total= 104 close= 4 far= 0 %acc 3.8 -## N2 total= 100 close= 7 far= 0 %acc 7.0 -## N3 total= 0 close= 0 far= 0 %acc 0.0 -## N4 total= 0 close= 0 far= 0 %acc 0.0 -## N5 total= 0 close= 0 far= 0 %acc 0.0 -## N6 total= 200 close= 34 far= 2 %acc 18.0 -## N7 total= 0 close= 0 far= 0 %acc 0.0 -## N8 total= 0 close= 0 far= 0 %acc 0.0 -## N9 total= 0 close= 0 far= 0 %acc 0.0 -##N10 total= 0 close= 0 far= 0 %acc 0.0 -##N11 total= 0 close= 0 far= 0 %acc 0.0 -##N12 total= 0 close= 0 far= 0 %acc 0.0 -##N13 total= 0 close= 0 far= 0 %acc 0.0 -##N14 total= 0 close= 0 far= 0 %acc 0.0 -##N15 total= 0 close= 0 far= 0 %acc 0.0 -##N16 total= 0 close= 0 far= 0 %acc 0.0 -##N17 total= 0 close= 0 far= 0 %acc 0.0 -##N18 total= 0 close= 0 far= 0 %acc 0.0 - Time for refresh 44 0.38 - make_var : nseed= 20 ntry= 420 - Time for make trial 45 0.21 -Nonsetup time 89.96 sec, Eval/s = 64805.28 -Time for iter 45 2.09 sec, Eval/s = 59824.09 - UPDATING 420 - 4 e 335 392 etot -8.1319E+01 mv 1 43 156 -129 0 - 4 e 555 373 etot -8.8024E+01 mv 1 43 124 -149 0 - 4 e 130 420 etot -8.3375E+01 mv 0 43 173 0 0 c 173 3.2 0.0 - 4 e 147 409 etot -8.4718E+01 mv 0 43 94 0 0 c 94 1.5 0.0 - 4 e 107 408 etot -8.2264E+01 mv 0 43 87 0 0 - 4 e 442 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-8.4212E+01 mv 1 44 169 -27 0 - 4 e 96 401 etot -8.6449E+01 mv 0 44 4 0 0 c 4 1.3 0.0 - 4 e 105 404 etot -8.2198E+01 mv 0 44 19 0 0 c 19 0.5 0.0 - 4 e 402 384 etot -7.8691E+01 mv 1 44 167 -178 0 - 4 e 398 385 etot -8.7721E+01 mv 1 44 167 -181 0 - 4 e 106 402 etot -8.1926E+01 mv 0 44 7 0 0 - 4 e 248 396 etot -8.9200E+01 mv 1 44 8 115 0 - 4 e 101 403 etot -8.3033E+01 mv 0 44 12 0 0 - 4 e 95 410 etot -8.2399E+01 mv 0 44 96 0 0 -## N0 total= 22 close= 10 far= 0 %acc 45.5 -## N1 total= 98 close= 5 far= 0 %acc 5.1 -## N2 total= 100 close= 4 far= 1 %acc 5.0 -## N3 total= 0 close= 0 far= 0 %acc 0.0 -## N4 total= 0 close= 0 far= 0 %acc 0.0 -## N5 total= 0 close= 0 far= 0 %acc 0.0 -## N6 total= 200 close= 27 far= 2 %acc 14.5 -## N7 total= 0 close= 0 far= 0 %acc 0.0 -## N8 total= 0 close= 0 far= 0 %acc 0.0 -## N9 total= 0 close= 0 far= 0 %acc 0.0 -##N10 total= 0 close= 0 far= 0 %acc 0.0 -##N11 total= 0 close= 0 far= 0 %acc 0.0 -##N12 total= 0 close= 0 far= 0 %acc 0.0 -##N13 total= 0 close= 0 far= 0 %acc 0.0 -##N14 total= 0 close= 0 far= 0 %acc 0.0 -##N15 total= 0 close= 0 far= 0 %acc 0.0 -##N16 total= 0 close= 0 far= 0 %acc 0.0 -##N17 total= 0 close= 0 far= 0 %acc 0.0 -##N18 total= 0 close= 0 far= 0 %acc 0.0 - Time for refresh 45 0.43 - make_var : nseed= 20 ntry= 420 - Time for make trial 46 0.07 -Nonsetup time 91.97 sec, Eval/s = 64792.13 -Time for iter 46 2.01 sec, Eval/s = 64203.81 - UPDATING 420 - 4 e 437 400 etot -8.1164E+01 mv 1 44 8 -130 0 - 4 e 375 394 etot -7.7209E+01 mv 1 44 51 -133 0 - 4 e 95 415 etot -8.8950E+01 mv 0 44 152 0 0 c 152 1.4 0.0 - 4 e 147 407 etot -8.2573E+01 mv 0 44 56 0 0 - 4 e 300 398 etot -6.7829E+01 mv 1 44 8 -39 0 - 4 e 13 420 etot -8.9201E+01 mv 0 44 8 0 0 c 8 0.0 0.0 - 4 e 454 387 etot -8.0266E+01 mv 1 44 169 -103 0 - 4 e 140 406 etot -8.3925E+01 mv 0 44 40 0 0 - 4 e 119 416 etot -8.4548E+01 mv 0 44 153 0 0 - 4 e 105 408 etot -8.2814E+01 mv 0 44 91 0 0 - 4 e 577 370 etot -7.2990E+01 mv 1 44 148 -88 0 - 4 e 515 374 etot -8.8947E+01 mv 1 44 152 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1 45 148 -139 0 - 4 e 574 349 etot -6.0291E+01 mv 1 45 96 -200 0 - 4 e 358 353 etot -8.6127E+01 mv 1 45 107 -124 0 - -1 e 1 400 etot 1.3528E+20 mv 1 45 139 -126 0 - 4 e 632 347 etot -6.7712E+01 mv 1 45 96 -199 0 - 4 e 189 388 etot -8.6263E+01 mv 1 45 107 86 0 c 107 1.6 0.0 - 4 e 242 381 etot -8.4785E+01 mv 1 45 198 -185 0 - 4 e 311 376 etot -8.3250E+01 mv 1 45 153 -14 0 - 4 e 61 401 etot -8.8983E+01 mv 0 45 3 0 0 - 4 e 272 373 etot -8.2545E+01 mv 1 45 151 -30 0 - 4 e 364 377 etot -7.3337E+01 mv 1 45 153 -157 0 - 4 e 189 393 etot -9.0747E+01 mv 1 45 24 -94 0 - 4 e 99 403 etot -8.3538E+01 mv 0 45 11 0 0 - 4 e 99 404 etot -8.4951E+01 mv 0 45 12 0 0 c 12 0.5 0.0 - 4 e 550 368 etot -7.1432E+01 mv 1 45 149 -73 0 - 4 e 141 402 etot -8.2934E+01 mv 0 45 7 0 0 c 7 0.7 0.0 - 4 e 391 383 etot -6.2677E+01 mv 1 45 198 -72 0 - 4 e 300 390 etot -8.5178E+01 mv 1 45 107 -115 0 - 4 e 435 363 etot -8.6260E+01 mv 1 45 148 -166 0 - 4 e 209 395 etot -9.0746E+01 mv 1 45 24 -194 0 - 4 e 260 392 etot -9.0746E+01 mv 1 45 24 -121 0 - 4 e 82 406 etot -8.6608E+01 mv 0 45 40 0 0 - 4 e 394 384 etot -7.9609E+01 mv 1 45 198 -92 0 -## N0 total= 19 close= 10 far= 0 %acc 52.6 -## N1 total= 101 close= 6 far= 0 %acc 5.9 -## N2 total= 100 close= 4 far= 0 %acc 4.0 -## N3 total= 0 close= 0 far= 0 %acc 0.0 -## N4 total= 0 close= 0 far= 0 %acc 0.0 -## N5 total= 0 close= 0 far= 0 %acc 0.0 -## N6 total= 200 close= 26 far= 0 %acc 13.0 -## N7 total= 0 close= 0 far= 0 %acc 0.0 -## N8 total= 0 close= 0 far= 0 %acc 0.0 -## N9 total= 0 close= 0 far= 0 %acc 0.0 -##N10 total= 0 close= 0 far= 0 %acc 0.0 -##N11 total= 0 close= 0 far= 0 %acc 0.0 -##N12 total= 0 close= 0 far= 0 %acc 0.0 -##N13 total= 0 close= 0 far= 0 %acc 0.0 -##N14 total= 0 close= 0 far= 0 %acc 0.0 -##N15 total= 0 close= 0 far= 0 %acc 0.0 -##N16 total= 0 close= 0 far= 0 %acc 0.0 -##N17 total= 0 close= 0 far= 0 %acc 0.0 -##N18 total= 0 close= 0 far= 0 %acc 0.0 - Time for refresh 46 0.49 - make_var : nseed= 20 ntry= 420 - Time for make trial 47 0.09 -Nonsetup time 94.08 sec, Eval/s = 64716.14 -Time for iter 47 2.11 sec, Eval/s = 61409.24 - UPDATING 420 - 4 e 73 420 etot -8.8359E+01 mv 0 45 139 0 0 c 139 0.1 0.0 - 4 e 310 391 etot -7.8390E+01 mv 1 45 24 139 0 - 4 e 161 408 etot -8.5070E+01 mv 0 45 85 0 0 c 85 2.5 0.0 - 4 e 408 385 etot -7.6868E+01 mv 1 45 198 -83 0 - 4 e 80 417 etot -8.5580E+01 mv 0 45 198 0 0 c 198 0.5 0.0 - 4 e 101 409 etot -8.2945E+01 mv 0 45 91 0 0 c 91 1.7 0.0 - 4 e 421 389 etot -8.5859E+01 mv 1 45 107 -178 0 - 4 e 95 414 etot -8.5487E+01 mv 0 45 149 0 0 c 149 0.9 0.0 - 4 e 381 386 etot -8.6133E+01 mv 1 45 107 93 0 c 30 281.4 1.8 - 4 e 316 397 etot -8.8358E+01 mv 1 45 139 59 0 - 4 e 145 405 etot -8.2773E+01 mv 0 45 20 0 0 - 4 e 531 374 etot -7.3244E+01 mv 1 45 151 -128 0 - 4 e 300 398 etot -8.5664E+01 mv 1 45 139 -78 0 - 4 e 358 396 etot -8.2902E+01 mv 1 45 139 -35 0 c 189 234.7 0.2 - 4 e 104 415 etot -8.3184E+01 mv 0 45 151 0 0 c 151 1.0 0.0 - 4 e 691 369 etot -7.3306E+01 mv 1 45 149 -90 0 - 4 e 101 411 etot -8.6264E+01 mv 0 45 107 0 0 c 107 1.0 0.0 - 4 e 114 410 etot -8.2557E+01 mv 0 45 96 0 0 - 4 e 107 413 etot -8.6285E+01 mv 0 45 148 0 0 - 4 e 101 418 etot -8.6264E+01 mv 0 45 107 0 0 - 4 e 306 399 etot -8.2126E+01 mv 1 45 139 24 0 - 4 e 432 394 etot -7.6917E+01 mv 1 45 24 176 0 - 4 e 135 412 etot -8.3779E+01 mv 0 45 125 0 0 c 125 1.3 0.0 - 4 e 435 378 etot -7.7774E+01 mv 1 45 153 -148 0 - -1 e 1 16 etot 1.3528E+20 mv 6 46 11 54 0 - 4 e 145 407 etot -8.3160E+01 mv 0 45 56 0 0 - -1 e 1 21 etot 1.3528E+20 mv 6 46 20 53 0 - 4 e 405 379 etot -7.3172E+01 mv 1 45 153 -165 0 - 4 e 68 419 etot -9.0747E+01 mv 0 45 24 0 0 c 24 0.3 0.0 - 4 e 681 352 etot -8.6260E+01 mv 1 45 107 -14 0 - 4 e 85 416 etot -8.5021E+01 mv 0 45 153 0 0 - 4 e 287 382 etot -6.0246E+01 mv 1 45 198 -80 0 - 4 e 402 387 etot -7.7937E+01 mv 1 45 107 147 0 - 4 e 180 6 etot -9.0005E+01 mv 6 46 3 72 0 - 4 e 188 33 etot -7.8869E+01 mv 6 46 28 175 0 - 4 e 223 31 etot -8.4894E+01 mv 6 46 28 18 0 - 4 e 231 18 etot -8.3706E+01 mv 6 46 11 76 0 c 11 4.1 0.0 - 4 e 241 30 etot -7.5246E+01 mv 6 46 20 187 0 - 4 e 243 19 etot -8.7463E+01 mv 6 46 11 54 0 - 4 e 254 8 etot -7.7083E+01 mv 6 46 3 140 0 - 4 e 248 17 etot -8.2264E+01 mv 6 46 11 87 0 - 4 e 249 9 etot -9.1814E+01 mv 6 46 3 131 0 - 4 e 249 1 etot -7.1797E+01 mv 6 46 3 46 0 - 4 e 267 20 etot -8.3706E+01 mv 6 46 11 40 0 c 11 4.2 0.0 - 4 e 353 7 etot -7.8084E+01 mv 6 46 3 139 0 - 4 e 357 4 etot -7.9518E+01 mv 6 46 3 72 0 - 4 e 304 25 etot -8.4990E+01 mv 6 46 20 176 0 - 4 e 314 32 etot -8.5213E+01 mv 6 46 28 24 0 c 85 268.7 0.1 - -1 e 1 48 etot 1.3528E+20 mv 6 46 40 21 0 - 4 e 404 5 etot -9.0704E+01 mv 6 46 3 44 0 - 4 e 331 11 etot -8.3661E+01 mv 6 46 11 136 0 - 4 e 314 29 etot -8.2437E+01 mv 6 46 20 60 0 f 29 372.4 0.6 - 4 e 362 10 etot -9.0081E+01 mv 6 46 3 58 0 - 4 e 366 12 etot -8.0066E+01 mv 6 46 11 65 0 - 4 e 375 27 etot -8.0991E+01 mv 6 46 20 152 0 - 4 e 204 46 etot -7.1825E+01 mv 6 46 40 135 0 - 4 e 396 34 etot -6.8787E+01 mv 6 46 28 74 0 - 4 e 425 2 etot -8.4575E+01 mv 6 46 3 166 0 - 4 e 450 13 etot -6.8026E+01 mv 6 46 11 12 0 - 4 e 487 23 etot -8.4722E+01 mv 6 46 20 191 0 - 4 e 239 37 etot -8.6149E+01 mv 6 46 28 182 0 c 28 3.9 0.0 - 4 e 446 24 etot -8.4528E+01 mv 6 46 20 163 0 c 29 134.4 2.1 - 4 e 48 58 etot -8.4094E+01 mv 6 46 52 114 0 c 114 0.2 0.0 - 4 e 317 45 etot -7.6477E+01 mv 6 46 40 18 0 - 4 e 297 44 etot -8.6608E+01 mv 6 46 40 96 0 - 4 e 289 40 etot -8.1922E+01 mv 6 46 28 108 0 - -1 e 1 66 etot 1.3528E+20 mv 6 46 56 173 0 - 4 e 584 15 etot -8.3317E+01 mv 6 46 11 103 0 - 4 e 605 14 etot -7.2856E+01 mv 6 46 11 108 0 - 4 e 596 22 etot -7.2786E+01 mv 6 46 20 29 0 - 4 e 270 41 etot -8.6905E+01 mv 6 46 40 20 0 c 96 219.9 2.8 - 4 e 105 60 etot -8.6378E+01 mv 6 46 52 82 0 c 82 0.3 0.0 - 4 e 355 35 etot -8.6148E+01 mv 6 46 28 169 0 - 4 e 279 43 etot -8.8154E+01 mv 6 46 40 123 0 c 40 3.9 0.0 - 4 e 334 50 etot -8.3346E+01 mv 6 46 40 95 0 - 4 e 260 47 etot -7.4099E+01 mv 6 46 40 94 0 - -1 e 1 76 etot 1.3528E+20 mv 6 46 59 169 0 - -1 e 1 77 etot 1.3528E+20 mv 6 46 59 35 0 - 4 e 264 53 etot -8.5189E+01 mv 6 46 52 54 0 c 52 12.3 0.0 - 4 e 318 54 etot -8.5188E+01 mv 6 46 52 72 0 - 4 e 243 56 etot -8.6085E+01 mv 6 46 52 163 0 c 52 26.1 0.9 - 4 e 304 28 etot -8.2459E+01 mv 6 46 20 195 0 - 4 e 174 61 etot -7.6651E+01 mv 6 46 56 36 0 - 4 e 455 42 etot -7.8946E+01 mv 6 46 40 56 0 - 4 e 361 51 etot -7.5178E+01 mv 6 46 52 180 0 - 4 e 61 81 etot -8.1943E+01 mv 6 46 96 119 0 c 119 0.2 0.0 - 4 e 216 64 etot -7.6580E+01 mv 6 46 56 93 0 - 4 e 380 49 etot -7.8936E+01 mv 6 46 40 92 0 - 4 e 468 38 etot -8.3969E+01 mv 6 46 28 50 0 - -1 e 1 89 etot 1.3528E+20 mv 6 46 96 8 0 - 4 e 184 80 etot -7.4198E+01 mv 6 46 59 37 0 - 4 e 501 55 etot -7.7545E+01 mv 6 46 52 31 0 - 4 e 296 67 etot -6.9405E+01 mv 6 46 56 136 0 - 4 e 698 3 etot -9.1815E+01 mv 6 46 3 75 0 - 4 e 563 39 etot -8.0058E+01 mv 6 46 28 132 0 - 4 e 347 52 etot -8.2835E+01 mv 6 46 52 63 0 - 4 e 361 65 etot -8.3158E+01 mv 6 46 56 170 0 - 4 e 381 68 etot -7.3417E+01 mv 6 46 56 2 0 - 4 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- 4 e 503 75 etot -8.5926E+01 mv 6 46 59 17 0 - 4 e 292 93 etot -8.7325E+01 mv 6 46 116 42 0 c 116 165.4 1.7 - 4 e 183 102 etot -8.1971E+01 mv 6 46 117 74 0 - 4 e 331 92 etot -8.4905E+01 mv 6 46 116 107 0 - 4 e 312 94 etot -8.4241E+01 mv 6 46 116 5 0 - 4 e 254 90 etot -8.2263E+01 mv 6 46 96 181 0 - 4 e 282 99 etot -8.5478E+01 mv 6 46 116 70 0 - -1 e 1 126 etot 1.3528E+20 mv 6 46 153 174 0 - 4 e 314 88 etot -8.0597E+01 mv 6 46 96 104 0 - 4 e 326 101 etot -8.3089E+01 mv 6 46 117 71 0 - 4 e 228 111 etot -8.5239E+01 mv 6 46 148 196 0 c 196 41.0 0.1 - 4 e 352 98 etot -7.8356E+01 mv 6 46 116 6 0 - 4 e 219 113 etot -8.7185E+01 mv 6 46 148 40 0 c 148 38.0 0.0 - 4 e 424 100 etot -8.3232E+01 mv 6 46 116 31 0 - 4 e 161 127 etot -6.8430E+01 mv 6 46 153 158 0 - 4 e 394 103 etot -8.8642E+01 mv 6 46 117 64 0 c 116 200.7 1.3 - 4 e 257 118 etot -8.7184E+01 mv 6 46 148 185 0 - 4 e 379 106 etot -8.0548E+01 mv 6 46 117 155 0 - -1 e 1 137 etot 1.3528E+20 mv 6 46 161 191 0 - 4 e 233 122 etot -8.0490E+01 mv 6 46 153 182 0 - 4 e 409 104 etot -9.0899E+01 mv 6 46 117 54 0 - 4 e 509 97 etot -8.3200E+01 mv 6 46 116 48 0 - 4 e 372 112 etot -7.7659E+01 mv 6 46 148 113 0 - 4 e 293 109 etot -8.7016E+01 mv 6 46 117 130 0 - 4 e 347 96 etot -8.5883E+01 mv 6 46 116 131 0 - 4 e 275 123 etot -8.1648E+01 mv 6 46 153 148 0 - 4 e 444 110 etot -8.0520E+01 mv 6 46 117 147 0 - 4 e 629 91 etot -7.5684E+01 mv 6 46 116 111 0 - 4 e 317 124 etot -8.4453E+01 mv 6 46 153 183 0 - 4 e 399 117 etot -8.5445E+01 mv 6 46 148 196 0 c 196 186.6 0.2 - 4 e 389 119 etot -8.7511E+01 mv 6 46 148 87 0 - 4 e 510 108 etot -8.0309E+01 mv 6 46 117 106 0 - 4 e 585 62 etot -8.6120E+01 mv 6 46 56 179 0 - -1 e 1 152 etot 1.6521E+26 mv 6 46 8 78 0 - 4 e 250 125 etot -7.8406E+01 mv 6 46 153 15 0 - 4 e 200 133 etot -8.8445E+01 mv 6 46 161 142 0 c 161 1.7 0.0 - 4 e 293 129 etot -8.0049E+01 mv 6 46 153 164 0 - 4 e 452 120 etot -8.7183E+01 mv 6 46 148 6 0 - 4 e 278 132 etot -7.6812E+01 mv 6 46 161 122 0 - -1 e 1 158 etot 1.3528E+20 mv 6 46 8 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-7.5047E+01 mv 6 46 161 82 0 - 4 e 352 146 etot -8.0444E+01 mv 6 46 65 68 0 - 4 e 413 141 etot -7.4306E+01 mv 6 46 65 110 0 - 4 e 315 151 etot -8.3339E+01 mv 6 46 8 158 0 f 133 362.8 1.5 - 4 e 393 147 etot -8.6268E+01 mv 6 46 65 195 0 c 195 47.0 0.1 - 4 e 200 154 etot -7.9625E+01 mv 6 46 8 5 0 - -1 e 1 185 etot 1.3528E+20 mv 6 46 124 153 0 - -1 e 1 186 etot 1.3528E+20 mv 6 46 124 10 0 - 4 e 300 156 etot -8.3809E+01 mv 6 46 8 156 0 - 4 e 239 164 etot -7.1312E+01 mv 6 46 139 18 0 - 4 e 30 189 etot -8.6160E+01 mv 6 46 124 26 0 c 26 0.1 0.0 - 4 e 238 160 etot -6.7217E+01 mv 6 46 8 26 0 - 4 e 286 167 etot -8.7275E+01 mv 6 46 139 164 0 - -1 e 1 192 etot 1.3528E+20 mv 6 46 36 123 0 - 4 e 307 166 etot -8.8358E+01 mv 6 46 139 129 0 - 4 e 397 159 etot -8.9199E+01 mv 6 46 8 3 0 - 4 e 372 163 etot -8.6932E+01 mv 6 46 139 153 0 - 4 e 276 153 etot -8.1827E+01 mv 6 46 8 153 0 - 4 e 299 170 etot -8.8359E+01 mv 6 46 139 62 0 - -1 e 1 198 etot 1.3528E+20 mv 6 46 36 30 0 - 4 e 272 177 etot -8.3893E+01 mv 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mv 1 46 40 -15 0 - 4 e 309 300 etot -8.7421E+01 mv 2 46 36 -63 0 - 4 e 284 304 etot -7.1673E+01 mv 1 46 3 -144 0 - 4 e 330 286 etot -7.3283E+01 mv 2 46 1 -56 0 - 4 e 620 269 etot -8.8440E+01 mv 2 46 161 -11 0 - 4 e 209 312 etot -7.7934E+01 mv 1 46 20 -128 0 - 4 e 312 306 etot -7.1769E+01 mv 1 46 11 -96 0 - 4 e 349 302 etot -7.4538E+01 mv 1 46 3 -137 0 - 4 e 489 293 etot -7.0361E+01 mv 2 46 124 94 0 - 4 e 427 297 etot -7.3622E+01 mv 2 46 36 -99 0 - 4 e 472 273 etot -7.1313E+01 mv 2 46 65 -118 0 - 4 e 562 265 etot -8.5162E+01 mv 2 46 153 -125 0 - 4 e 343 308 etot -8.2254E+01 mv 1 46 11 -102 0 - 4 e 271 316 etot -8.6148E+01 mv 1 46 28 -32 0 - 4 e 215 321 etot -8.5176E+01 mv 1 46 40 -71 0 - 4 e 184 325 etot -6.5067E+01 mv 1 46 40 -34 0 - 4 e 408 310 etot -8.2647E+01 mv 1 46 11 -105 0 - 4 e 642 289 etot -8.7939E+01 mv 2 46 1 -77 0 - 4 e 327 320 etot -8.6087E+01 mv 1 46 28 -98 0 - 4 e 163 331 etot -8.3749E+01 mv 1 46 56 -4 0 c 56 1.4 0.0 - 4 e 302 311 etot -6.6247E+01 mv 1 46 20 -99 0 - 4 e 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-8.8359E+01 mv 1 46 139 57 0 - 4 e 470 368 etot -7.6148E+01 mv 1 46 161 -173 0 - 4 e 258 386 etot -8.8115E+01 mv 1 46 1 85 0 - 4 e 426 373 etot -8.4602E+01 mv 1 46 65 89 0 - 4 e 206 388 etot -8.8115E+01 mv 1 46 1 12 0 - 4 e 204 383 etot -8.8359E+01 mv 1 46 139 -59 0 - 4 e 699 353 etot -8.7674E+01 mv 1 46 117 -187 0 - 4 e 148 398 etot -8.7179E+01 mv 1 46 36 124 0 - 4 e 244 381 etot -8.8359E+01 mv 1 46 139 33 0 - 4 e 642 361 etot -8.5610E+01 mv 1 46 153 -179 0 - 4 e 476 372 etot -8.0146E+01 mv 1 46 65 134 0 - 4 e 183 397 etot -8.7772E+01 mv 1 46 36 -140 0 c 36 26.3 0.4 - 4 e 246 391 etot -8.7756E+01 mv 1 46 124 9 0 - 4 e 106 403 etot -8.4657E+01 mv 0 46 20 0 0 - 4 e 120 402 etot -8.3706E+01 mv 0 46 11 0 0 c 11 1.6 0.0 - 4 e 12 416 etot -8.9201E+01 mv 0 46 8 0 0 c 8 0.0 0.0 - 4 e 201 396 etot -8.7421E+01 mv 1 46 36 3 0 -## N0 total= 18 close= 11 far= 0 %acc 61.1 -## N1 total= 102 close= 8 far= 0 %acc 7.8 -## N2 total= 100 close= 7 far= 0 %acc 7.0 -## N3 total= 0 close= 0 far= 0 %acc 0.0 -## N4 total= 0 close= 0 far= 0 %acc 0.0 -## N5 total= 0 close= 0 far= 0 %acc 0.0 -## N6 total= 200 close= 23 far= 2 %acc 12.5 -## N7 total= 0 close= 0 far= 0 %acc 0.0 -## N8 total= 0 close= 0 far= 0 %acc 0.0 -## N9 total= 0 close= 0 far= 0 %acc 0.0 -##N10 total= 0 close= 0 far= 0 %acc 0.0 -##N11 total= 0 close= 0 far= 0 %acc 0.0 -##N12 total= 0 close= 0 far= 0 %acc 0.0 -##N13 total= 0 close= 0 far= 0 %acc 0.0 -##N14 total= 0 close= 0 far= 0 %acc 0.0 -##N15 total= 0 close= 0 far= 0 %acc 0.0 -##N16 total= 0 close= 0 far= 0 %acc 0.0 -##N17 total= 0 close= 0 far= 0 %acc 0.0 -##N18 total= 0 close= 0 far= 0 %acc 0.0 - Time for refresh 47 0.30 - make_var : nseed= 20 ntry= 420 - Time for make trial 48 0.04 -Nonsetup time 95.83 sec, Eval/s = 64752.92 -Time for iter 48 1.75 sec, Eval/s = 66734.68 - UPDATING 420 - 4 e 358 394 etot -8.0028E+01 mv 1 46 124 126 0 - 4 e 154 404 etot -8.6149E+01 mv 0 46 28 0 0 c 28 1.8 0.0 - 4 e 589 370 etot -8.2792E+01 mv 1 46 161 -10 0 - 4 e 489 376 etot 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etot 1.3528E+20 mv 6 47 65 163 0 - 4 e 230 36 etot -7.5925E+01 mv 6 47 30 164 0 - 4 e 193 45 etot -8.7381E+01 mv 6 47 36 41 0 - 4 e 462 34 etot -8.0942E+01 mv 6 47 30 153 0 - 4 e 231 40 etot -8.5615E+01 mv 6 47 30 113 0 - 4 e 486 20 etot -7.8486E+01 mv 6 47 20 17 0 - 4 e 311 37 etot -8.7722E+01 mv 6 47 30 167 0 - 4 e 276 46 etot -7.2281E+01 mv 6 47 36 107 0 - 4 e 328 38 etot -8.0086E+01 mv 6 47 30 40 0 - -1 e 1 72 etot 1.3528E+20 mv 6 47 85 3 0 - 4 e 192 54 etot -6.2904E+01 mv 6 47 52 198 0 - -1 e 1 75 etot 1.3528E+20 mv 6 47 85 128 0 - 4 e 208 50 etot -8.4104E+01 mv 6 47 36 21 0 - 4 e 243 49 etot -8.7771E+01 mv 6 47 36 35 0 - 4 e 558 29 etot -8.0711E+01 mv 6 47 29 19 0 - 4 e 229 53 etot -8.4642E+01 mv 6 47 52 196 0 - 4 e 657 17 etot -7.9996E+01 mv 6 47 20 124 0 - 4 e 584 2 etot -7.4800E+01 mv 6 47 3 54 0 - 4 e 309 42 etot -7.3535E+01 mv 6 47 36 191 0 - 4 e 580 9 etot -8.1695E+01 mv 6 47 3 166 0 - 4 e 230 56 etot -8.6085E+01 mv 6 47 52 149 0 c 52 3.0 0.0 - 4 e 327 59 etot -8.4507E+01 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-8.6358E+01 mv 1 47 195 -165 0 - 4 e 193 394 etot -8.7383E+01 mv 1 47 174 13 0 - 4 e 88 405 etot -8.7772E+01 mv 0 47 36 0 0 c 36 0.9 0.0 - 4 e 185 395 etot -8.6853E+01 mv 1 47 174 -62 0 - 4 e 167 402 etot -8.6355E+01 mv 0 47 20 0 0 c 20 0.5 0.0 - 4 e 189 398 etot -8.7306E+01 mv 1 47 88 180 0 - 4 e 9 417 etot -8.3214E+01 mv 0 47 113 0 0 - 4 e 536 367 etot -6.3738E+01 mv 1 47 189 -161 0 - 4 e 110 406 etot -8.6086E+01 mv 0 47 52 0 0 c 52 1.7 0.0 -## N0 total= 23 close= 14 far= 0 %acc 60.9 -## N1 total= 97 close= 6 far= 0 %acc 6.2 -## N2 total= 100 close= 3 far= 1 %acc 4.0 -## N3 total= 0 close= 0 far= 0 %acc 0.0 -## N4 total= 0 close= 0 far= 0 %acc 0.0 -## N5 total= 0 close= 0 far= 0 %acc 0.0 -## N6 total= 200 close= 17 far= 0 %acc 8.5 -## N7 total= 0 close= 0 far= 0 %acc 0.0 -## N8 total= 0 close= 0 far= 0 %acc 0.0 -## N9 total= 0 close= 0 far= 0 %acc 0.0 -##N10 total= 0 close= 0 far= 0 %acc 0.0 -##N11 total= 0 close= 0 far= 0 %acc 0.0 -##N12 total= 0 close= 0 far= 0 %acc 0.0 -##N13 total= 0 close= 0 far= 0 %acc 0.0 -##N14 total= 0 close= 0 far= 0 %acc 0.0 -##N15 total= 0 close= 0 far= 0 %acc 0.0 -##N16 total= 0 close= 0 far= 0 %acc 0.0 -##N17 total= 0 close= 0 far= 0 %acc 0.0 -##N18 total= 0 close= 0 far= 0 %acc 0.0 - Time for refresh 48 0.27 - make_var : nseed= 20 ntry= 420 - Time for make trial 49 0.10 -Nonsetup time 97.66 sec, Eval/s = 64783.70 -Time for iter 49 1.83 sec, Eval/s = 66393.52 - UPDATING 420 - 4 e 621 377 etot -8.2542E+01 mv 1 47 196 -154 0 - 4 e 259 397 etot -7.5244E+01 mv 1 47 88 31 0 - 4 e 53 411 etot -8.3340E+01 mv 0 47 133 0 0 - 4 e 352 391 etot -6.7054E+01 mv 1 47 174 141 0 - 4 e 531 389 etot -8.4789E+01 mv 1 47 183 -71 0 - 4 e 388 388 etot -7.5973E+01 mv 1 47 183 -82 0 - 4 e 128 414 etot -8.2903E+01 mv 0 47 189 0 0 c 189 1.0 0.0 - 4 e 35 419 etot -8.7383E+01 mv 0 47 174 0 0 c 174 0.2 0.0 - 4 e 627 387 etot -5.6627E+01 mv 1 47 183 -71 0 - 4 e 379 390 etot -8.4608E+01 mv 1 47 183 -146 0 - 4 e 694 358 etot -8.5017E+01 mv 1 47 147 -11 0 - 4 e 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etot -7.3367E+01 mv 2 48 135 -157 0 - 4 e 270 234 etot -7.8090E+01 mv 2 48 133 -26 0 - -1 e 1 260 etot 1.3528E+20 mv 2 48 21 4 0 - -1 e 1 261 etot 1.3528E+20 mv 2 48 116 -169 0 - 4 e 256 241 etot -8.5450E+01 mv 2 48 148 -125 0 - 4 e 395 227 etot -7.1031E+01 mv 2 48 129 -186 0 - 4 e 393 229 etot -7.9498E+01 mv 2 48 129 -135 0 - 4 e 145 251 etot -8.5855E+01 mv 2 48 196 -7 0 - 4 e 358 231 etot -7.7813E+01 mv 2 48 133 -128 0 - 4 e 294 239 etot -6.6163E+01 mv 2 48 135 -76 0 - 4 e 388 230 etot -8.2965E+01 mv 2 48 129 -144 0 - 4 e 356 236 etot -7.5917E+01 mv 2 48 135 -57 0 - 4 e 292 243 etot -6.0837E+01 mv 2 48 148 -68 0 - 4 e 217 242 etot -6.0598E+01 mv 2 48 148 -158 0 - 4 e 211 255 etot -8.5855E+01 mv 2 48 196 -73 0 - 4 e 311 244 etot -8.0101E+01 mv 2 48 148 -131 0 - -1 e 1 274 etot 1.3528E+20 mv 2 48 40 -77 0 - 4 e 762 202 etot -5.9264E+01 mv 2 48 55 -136 0 - 4 e 222 245 etot -8.7241E+01 mv 2 48 148 -163 0 - 4 e 619 218 etot -6.6691E+01 mv 2 48 106 -127 0 - 8 e 537 203 etot -6.3991E+01 mv 2 48 55 -199 0 - 4 e 231 250 etot -8.6379E+01 mv 2 48 195 -134 0 c 195 2.2 0.0 - 4 e 485 217 etot -6.3187E+01 mv 2 48 106 -110 0 - 4 e 311 254 etot -6.7214E+01 mv 2 48 196 -182 0 - 4 e 521 213 etot -8.2897E+01 mv 2 48 85 -171 0 - -1 e 1 283 etot 1.3528E+20 mv 2 48 183 105 0 - 4 e 193 256 etot -8.3899E+01 mv 2 48 21 -57 0 - 4 e 186 269 etot -7.6503E+01 mv 2 48 139 -93 0 - -1 e 1 285 etot 1.3528E+20 mv 2 48 183 27 0 - 4 e 252 258 etot -8.3898E+01 mv 2 48 21 46 0 - 4 e 206 268 etot -8.6904E+01 mv 2 48 139 -38 0 - 4 e 518 247 etot -6.2520E+01 mv 2 48 195 -71 0 - 4 e 107 281 etot -8.7603E+01 mv 2 48 183 110 0 - 4 e 247 275 etot -6.9941E+01 mv 2 48 40 -34 0 - 4 e 472 253 etot -6.8613E+01 mv 2 48 196 -107 0 - 4 e 225 278 etot -8.7383E+01 mv 2 48 174 -6 0 - 4 e 405 265 etot -8.7881E+01 mv 2 48 116 146 0 - 4 e 689 238 etot -7.7709E+01 mv 2 48 135 -80 0 - 4 e 229 272 etot -8.6386E+01 mv 2 48 40 102 0 - 4 e 302 273 etot -9.0900E+01 mv 2 48 40 195 0 - 4 e 423 263 etot -8.4161E+01 mv 2 48 116 -60 0 - 4 e 445 262 etot -8.4529E+01 mv 2 48 116 25 0 - 4 e 373 270 etot -8.8358E+01 mv 2 48 139 97 0 - 4 e 636 249 etot -8.2268E+01 mv 2 48 195 -97 0 - 4 e 452 248 etot -6.1941E+01 mv 2 48 195 -165 0 - 4 e 500 259 etot -7.7479E+01 mv 2 48 21 -120 0 - 4 e 340 276 etot -7.9617E+01 mv 2 48 174 32 0 - 4 e 416 271 etot -7.6272E+01 mv 2 48 40 -85 0 - 4 e 293 286 etot -8.0176E+01 mv 2 48 8 137 0 - 4 e 152 294 etot -8.7772E+01 mv 2 48 36 -16 0 - 4 e 605 257 etot -8.3552E+01 mv 2 48 21 -60 0 - 4 e 338 288 etot -8.8076E+01 mv 2 48 8 -95 0 - 4 e 552 266 etot -7.6894E+01 mv 2 48 139 9 0 - 4 e 693 252 etot -7.1334E+01 mv 2 48 196 -34 0 - -1 e 1 312 etot 1.3528E+20 mv 1 48 85 -19 0 - 4 e 235 287 etot -8.8603E+01 mv 2 48 8 192 0 - 4 e 351 289 etot -8.0038E+01 mv 2 48 8 32 0 - 4 e 578 267 etot -7.0770E+01 mv 2 48 139 -183 0 - 4 e 597 264 etot -7.9906E+01 mv 2 48 116 15 0 - 4 e 329 277 etot -7.3867E+01 mv 2 48 174 -84 0 - 4 e 253 292 etot -7.9596E+01 mv 2 48 36 42 0 - -1 e 1 319 etot 1.3528E+20 mv 1 48 106 -149 0 - -1 e 1 320 etot 1.3528E+20 mv 1 48 106 -17 0 - 4 e 234 295 etot -8.3314E+01 mv 2 48 36 39 0 - 4 e 280 293 etot -8.7583E+01 mv 2 48 36 -28 0 - 4 e 182 305 etot -8.5146E+01 mv 1 48 55 -64 0 c 55 1.4 0.0 - 4 e 223 291 etot -7.2709E+01 mv 2 48 36 -197 0 - 4 e 247 301 etot -8.3537E+01 mv 1 48 55 -42 0 - 4 e 377 279 etot -7.5755E+01 mv 2 48 174 197 0 - 4 e 232 306 etot -8.4759E+01 mv 1 48 65 -21 0 c 65 2.3 0.0 - 4 e 405 290 etot -7.7304E+01 mv 2 48 8 -183 0 - -1 e 1 329 etot 1.3528E+20 mv 1 48 129 -191 0 - 4 e 213 303 etot -8.5145E+01 mv 1 48 55 -187 0 - 4 e 350 298 etot -7.3932E+01 mv 2 48 124 -187 0 - 4 e 195 315 etot -8.5923E+01 mv 1 48 85 -159 0 - 4 e 243 310 etot -8.4707E+01 mv 1 48 65 -120 0 - 4 e 422 280 etot -8.4630E+01 mv 2 48 174 63 0 - 4 e 408 299 etot -8.6957E+01 mv 2 48 124 160 0 - -1 e 1 336 etot 1.3528E+20 mv 1 48 135 -82 0 - 4 e 662 282 etot -7.9610E+01 mv 2 48 183 55 0 - 4 e 410 304 etot -7.3819E+01 mv 1 48 55 -195 0 - 4 e 450 300 etot -7.9254E+01 mv 2 48 124 -135 0 - 4 e 504 296 etot -8.7547E+01 mv 2 48 124 -6 0 - 4 e 516 284 etot -8.5927E+01 mv 2 48 183 -95 0 - 4 e 278 326 etot -8.4858E+01 mv 1 48 129 -59 0 c 129 66.1 0.1 - 4 e 258 328 etot -7.2456E+01 mv 1 48 129 -16 0 - -1 e 1 344 etot 1.3528E+20 mv 1 48 148 -162 0 - 4 e 253 330 etot -8.4755E+01 mv 1 48 129 -193 0 - 4 e 366 321 etot -8.1702E+01 mv 1 48 113 -189 0 - -1 e 1 347 etot 1.3528E+20 mv 1 48 195 -44 0 - -1 e 1 348 etot 1.3528E+20 mv 1 48 195 -193 0 - 8 e 175 338 etot -6.3986E+01 mv 1 48 135 -124 0 - 4 e 237 333 etot -8.3039E+01 mv 1 48 133 -25 0 - -1 e 1 351 etot 1.3528E+20 mv 1 48 196 -152 0 - 4 e 406 322 etot -5.5767E+01 mv 1 48 113 -145 0 - 4 e 389 324 etot -7.8398E+01 mv 1 48 113 -199 0 - 4 e 282 332 etot -6.9977E+01 mv 1 48 133 -181 0 - 4 e 524 309 etot -8.4731E+01 mv 1 48 65 -20 0 - 4 e 272 334 etot -7.9762E+01 mv 1 48 133 -196 0 - 4 e 620 302 etot -6.6106E+01 mv 1 48 55 -30 0 - 4 e 352 314 etot -8.5306E+01 mv 1 48 85 -57 0 c 55 182.3 0.2 - 4 e 461 297 etot -8.7560E+01 mv 2 48 124 30 0 - 4 e 298 337 etot -8.3066E+01 mv 1 48 135 -160 0 - 4 e 358 318 etot -7.3977E+01 mv 1 48 106 -5 0 - -1 e 1 361 etot 1.3528E+20 mv 1 48 116 -42 0 - 4 e 662 307 etot -8.0444E+01 mv 1 48 65 -165 0 - 4 e 292 340 etot -8.3555E+01 mv 1 48 135 -95 0 - 4 e 268 335 etot -8.3039E+01 mv 1 48 133 -92 0 - 4 e 305 331 etot -8.4308E+01 mv 1 48 133 -48 0 - 4 e 655 317 etot -8.2801E+01 mv 1 48 106 -89 0 - 4 e 270 345 etot -8.5230E+01 mv 1 48 148 -80 0 - 4 e 744 308 etot -7.1500E+01 mv 1 48 65 -35 0 - 4 e 274 343 etot -7.5504E+01 mv 1 48 148 -57 0 - 4 e 246 350 etot -8.6379E+01 mv 1 48 195 -115 0 - 4 e 725 313 etot -6.0440E+01 mv 1 48 85 -190 0 - 4 e 235 355 etot -8.5855E+01 mv 1 48 196 -46 0 - 4 e 413 327 etot -8.4979E+01 mv 1 48 129 -160 0 c 129 86.6 0.1 - 4 e 326 349 etot -8.6377E+01 mv 1 48 195 -111 0 - 4 e 247 358 etot -8.3899E+01 mv 1 48 21 -113 0 - 4 e 423 341 etot -7.6077E+01 mv 1 48 148 -41 0 - 4 e 295 354 etot -8.3801E+01 mv 1 48 196 -164 0 - -1 e 1 379 etot 1.3528E+20 mv 1 48 174 135 0 - 4 e 289 357 etot -8.3899E+01 mv 1 48 21 179 0 - 4 e 197 360 etot -8.3899E+01 mv 1 48 21 180 0 - 4 e 222 365 etot -8.8643E+01 mv 1 48 116 150 0 - 4 e 256 363 etot -8.8642E+01 mv 1 48 116 143 0 - 4 e 510 325 etot -6.7690E+01 mv 1 48 113 -199 0 - 4 e 201 368 etot -8.0121E+01 mv 1 48 139 102 0 - 4 e 595 339 etot -8.6895E+01 mv 1 48 135 -165 0 c 135 212.0 3.3 - 4 e 274 359 etot -8.2443E+01 mv 1 48 21 -33 0 - 4 e 312 323 etot -7.0571E+01 mv 1 48 113 -157 0 - 4 e 448 352 etot -8.0471E+01 mv 1 48 196 -40 0 - 4 e 134 380 etot -8.7383E+01 mv 1 48 174 184 0 - 4 e 150 378 etot -8.7383E+01 mv 1 48 174 183 0 - 4 e 194 367 etot -7.4578E+01 mv 1 48 139 174 0 - 4 e 264 370 etot -8.8359E+01 mv 1 48 139 159 0 - -1 e 1 394 etot 1.3528E+20 mv 1 48 36 44 0 - 4 e 256 371 etot -9.0900E+01 mv 1 48 40 180 0 - 4 e 369 316 etot -7.3141E+01 mv 1 48 106 -43 0 - 4 e 203 376 etot -8.7383E+01 mv 1 48 174 182 0 - 4 e 402 342 etot -8.1019E+01 mv 1 48 148 -122 0 - 4 e 268 372 etot -8.6638E+01 mv 1 48 40 -128 0 - 4 e 172 375 etot -8.8154E+01 mv 1 48 40 138 0 - 4 e 273 377 etot -8.7383E+01 mv 1 48 174 -62 0 - 4 e 624 346 etot -6.6192E+01 mv 1 48 195 -136 0 - 4 e 449 311 etot -8.5922E+01 mv 1 48 85 -72 0 - 4 e 240 383 etot -8.7603E+01 mv 1 48 183 -91 0 - 4 e 582 356 etot -7.6467E+01 mv 1 48 21 -51 0 - 4 e 188 386 etot -8.9201E+01 mv 1 48 8 42 0 - 4 e 206 387 etot -8.9200E+01 mv 1 48 8 25 0 - 4 e 182 391 etot -8.7772E+01 mv 1 48 36 115 0 - 4 e 639 353 etot -8.2275E+01 mv 1 48 196 -187 0 - 4 e 377 362 etot -6.1195E+01 mv 1 48 116 -34 0 - 4 e 52 407 etot -8.4309E+01 mv 0 48 133 0 0 c 133 0.3 0.0 - 4 e 95 403 etot -8.5924E+01 mv 0 48 85 0 0 c 85 1.3 0.0 - 4 e 102 402 etot -8.4760E+01 mv 0 48 65 0 0 c 65 1.2 0.0 - 4 e 184 395 etot -8.7772E+01 mv 1 48 36 176 0 - 4 e 25 412 etot -8.3899E+01 mv 0 48 21 0 0 c 21 0.0 0.0 - 4 e 97 401 etot -8.5146E+01 mv 0 48 55 0 0 - 4 e 11 414 etot -8.8359E+01 mv 0 48 139 0 0 c 139 0.0 0.0 - 4 e 112 404 etot -8.3966E+01 mv 0 48 106 0 0 c 106 0.9 0.0 - 4 e 10 418 etot -8.9201E+01 mv 0 48 8 0 0 c 8 0.0 0.0 -## N0 total= 22 close= 15 far= 0 %acc 68.2 -## N1 total= 98 close= 6 far= 0 %acc 6.1 -## N2 total= 100 close= 4 far= 0 %acc 4.0 -## N3 total= 0 close= 0 far= 0 %acc 0.0 -## N4 total= 0 close= 0 far= 0 %acc 0.0 -## N5 total= 0 close= 0 far= 0 %acc 0.0 -## N6 total= 200 close= 10 far= 0 %acc 5.0 -## N7 total= 0 close= 0 far= 0 %acc 0.0 -## N8 total= 0 close= 0 far= 0 %acc 0.0 -## N9 total= 0 close= 0 far= 0 %acc 0.0 -##N10 total= 0 close= 0 far= 0 %acc 0.0 -##N11 total= 0 close= 0 far= 0 %acc 0.0 -##N12 total= 0 close= 0 far= 0 %acc 0.0 -##N13 total= 0 close= 0 far= 0 %acc 0.0 -##N14 total= 0 close= 0 far= 0 %acc 0.0 -##N15 total= 0 close= 0 far= 0 %acc 0.0 -##N16 total= 0 close= 0 far= 0 %acc 0.0 -##N17 total= 0 close= 0 far= 0 %acc 0.0 -##N18 total= 0 close= 0 far= 0 %acc 0.0 - Time for refresh 49 0.29 - make_var : nseed= 20 ntry= 420 - Time for make trial 50 0.08 -Nonsetup time 99.55 sec, Eval/s = 64842.54 -Time for iter 50 1.89 sec, Eval/s = 67875.89 - UPDATING 420 - 4 e 507 397 etot -8.2626E+01 mv 1 48 124 46 0 - 4 e 17 419 etot -8.7772E+01 mv 0 48 36 0 0 c 36 0.0 0.0 - 4 e 333 389 etot -8.9200E+01 mv 1 48 8 -25 0 - 4 e 587 364 etot -8.8578E+01 mv 1 48 116 113 0 - 4 e 35 416 etot -8.7383E+01 mv 0 48 174 0 0 - 4 e 165 410 etot -8.6379E+01 mv 0 48 195 0 0 c 195 1.2 0.0 - 4 e 129 413 etot -8.8643E+01 mv 0 48 116 0 0 - 4 e 214 396 etot -7.5335E+01 mv 1 48 124 -42 0 - 4 e 63 415 etot -8.8154E+01 mv 0 48 40 0 0 c 40 0.2 0.0 - -1 e 1 1 etot 1.3528E+20 mv 6 49 55 132 0 - 4 e 154 409 etot -8.7241E+01 mv 0 48 148 0 0 - 4 e 424 381 etot -7.5127E+01 mv 1 48 183 -149 0 - 4 e 486 373 etot -8.3877E+01 mv 1 48 40 -42 0 - 4 e 45 420 etot -8.8026E+01 mv 0 48 124 0 0 c 124 0.0 0.0 - 4 e 66 408 etot -8.3555E+01 mv 0 48 135 0 0 - 4 e 273 390 etot -7.5252E+01 mv 1 48 8 158 0 - 4 e 365 392 etot -8.5023E+01 mv 1 48 36 138 0 - 4 e 349 384 etot -7.6985E+01 mv 1 48 183 137 0 - 4 e 132 406 etot -8.4755E+01 mv 0 48 129 0 0 - 4 e 508 369 etot -7.4407E+01 mv 1 48 139 -157 0 - 4 e 222 398 etot -8.8025E+01 mv 1 48 124 125 0 - 4 e 294 400 etot -8.8025E+01 mv 1 48 124 97 0 - -1 e 1 14 etot 1.3528E+20 mv 6 49 117 90 0 - 4 e 533 374 etot -8.1863E+01 mv 1 48 40 199 0 - 4 e 100 405 etot -8.4385E+01 mv 0 48 113 0 0 c 113 0.8 0.0 - 4 e 45 417 etot -8.7603E+01 mv 0 48 183 0 0 - 4 e 235 385 etot -8.7603E+01 mv 1 48 183 132 0 - 4 e 77 411 etot -8.5855E+01 mv 0 48 196 0 0 - 4 e 343 399 etot -7.6973E+01 mv 1 48 124 194 0 - 4 e 248 388 etot -8.9200E+01 mv 1 48 8 -18 0 - 4 e 566 382 etot -8.7423E+01 mv 1 48 183 199 0 - 4 e 377 366 etot -8.7948E+01 mv 1 48 139 182 0 - 4 e 150 393 etot -8.7772E+01 mv 1 48 36 -165 0 - -1 e 1 31 etot 1.3528E+20 mv 6 49 135 14 0 - -1 e 1 32 etot 1.3528E+20 mv 6 49 135 9 0 - 4 e 163 4 etot -7.1131E+01 mv 6 49 55 189 0 - 4 e 171 27 etot -7.1111E+01 mv 6 49 129 111 0 - 4 e 193 34 etot -8.6896E+01 mv 6 49 135 170 0 c 135 2.7 0.0 - 4 e 197 2 etot -8.5902E+01 mv 6 49 55 26 0 - 4 e 208 30 etot -7.7308E+01 mv 6 49 129 173 0 - 4 e 202 26 etot -8.4981E+01 mv 6 49 129 41 0 c 129 3.1 0.0 - 4 e 238 23 etot -8.4028E+01 mv 6 49 129 30 0 - 4 e 251 22 etot -7.4229E+01 mv 6 49 129 184 0 - 4 e 250 24 etot -8.3310E+01 mv 6 49 129 12 0 - -1 e 1 44 etot 1.3528E+20 mv 6 49 165 108 0 - 4 e 268 33 etot -8.7571E+01 mv 6 49 135 182 0 - 4 e 302 5 etot -8.7659E+01 mv 6 49 55 8 0 - 4 e 284 9 etot -8.4106E+01 mv 6 49 55 188 0 - 4 e 175 36 etot -8.6118E+01 mv 6 49 135 128 0 - 4 e 311 18 etot -8.4467E+01 mv 6 49 117 95 0 - 4 e 333 16 etot -7.4123E+01 mv 6 49 117 123 0 - 4 e 346 7 etot -8.4059E+01 mv 6 49 55 113 0 - 4 e 333 10 etot -7.9891E+01 mv 6 49 55 132 0 - 4 e 345 35 etot -8.0873E+01 mv 6 49 135 161 0 - 4 e 345 3 etot -8.6268E+01 mv 6 49 55 63 0 - 4 e 382 20 etot -7.5734E+01 mv 6 49 117 195 0 - 4 e 403 6 etot -7.6303E+01 mv 6 49 55 35 0 - 4 e 371 13 etot -7.8269E+01 mv 6 49 117 199 0 - 4 e 180 37 etot -8.7039E+01 mv 6 49 135 101 0 c 135 20.6 0.1 - -1 e 1 59 etot 1.3528E+20 mv 6 49 44 175 0 - 4 e 365 29 etot -8.6164E+01 mv 6 49 129 162 0 - 4 e 199 39 etot -8.5111E+01 mv 6 49 135 50 0 - -1 e 1 62 etot 1.3528E+20 mv 6 49 139 140 0 - 4 e 445 17 etot -9.0777E+01 mv 6 49 117 21 0 - 4 e 447 21 etot -8.3073E+01 mv 6 49 129 75 0 - 4 e 454 15 etot -8.4839E+01 mv 6 49 117 161 0 - 4 e 454 12 etot -9.1992E+01 mv 6 49 117 49 0 - 4 e 451 25 etot -8.0859E+01 mv 6 49 129 152 0 - 4 e 464 8 etot -7.4438E+01 mv 6 49 55 104 0 - 4 e 13 67 etot -8.7306E+01 mv 6 49 139 88 0 c 88 0.0 0.0 - -1 e 1 70 etot 1.3528E+20 mv 6 49 139 86 0 - 4 e 441 28 etot -8.4477E+01 mv 6 49 129 44 0 - 4 e 310 38 etot -8.7755E+01 mv 6 49 135 105 0 - 4 e 529 19 etot -8.1809E+01 mv 6 49 117 60 0 - 4 e 301 40 etot -7.9248E+01 mv 6 49 135 193 0 - 4 e 167 54 etot -8.1949E+01 mv 6 49 44 76 0 - 4 e 267 41 etot -8.1814E+01 mv 6 49 165 46 0 - 4 e 272 42 etot -8.1801E+01 mv 6 49 165 17 0 - 4 e 525 11 etot -8.3974E+01 mv 6 49 117 89 0 - 4 e 316 46 etot -7.8463E+01 mv 6 49 165 69 0 - 4 e 223 58 etot -8.2509E+01 mv 6 49 44 34 0 - 4 e 433 47 etot -8.0882E+01 mv 6 49 165 126 0 - 4 e 259 63 etot -8.8359E+01 mv 6 49 139 77 0 - 4 e 319 53 etot -7.9255E+01 mv 6 49 44 50 0 - 4 e 331 55 etot -7.9943E+01 mv 6 49 44 150 0 - 4 e 452 50 etot -7.9792E+01 mv 6 49 165 167 0 - 4 e 488 49 etot -7.8268E+01 mv 6 49 165 94 0 - 4 e 424 57 etot -8.3443E+01 mv 6 49 44 24 0 - 4 e 237 66 etot -7.2871E+01 mv 6 49 139 76 0 - 4 e 291 74 etot -8.3296E+01 mv 6 49 1 142 0 - 4 e 251 75 etot -7.3592E+01 mv 6 49 1 161 0 - 4 e 565 45 etot -8.1023E+01 mv 6 49 165 187 0 - 4 e 365 65 etot -8.4005E+01 mv 6 49 139 147 0 - 4 e 512 51 etot -8.2844E+01 mv 6 49 44 120 0 - 4 e 256 82 etot -7.4762E+01 mv 6 49 174 43 0 - 4 e 592 56 etot -8.2143E+01 mv 6 49 44 106 0 - 4 e 239 77 etot -7.8718E+01 mv 6 49 1 180 0 - 4 e 286 72 etot -8.8028E+01 mv 6 49 1 177 0 - 4 e 233 84 etot -7.2646E+01 mv 6 49 174 107 0 - -1 e 1 99 etot 1.3528E+20 mv 6 49 8 43 0 - 4 e 710 52 etot -7.6268E+01 mv 6 49 44 177 0 - -1 e 1 101 etot 1.3528E+20 mv 6 49 36 113 0 - 4 e 369 60 etot -8.4068E+01 mv 6 49 44 188 0 - 4 e 192 89 etot -7.3932E+01 mv 6 49 174 77 0 - 4 e 229 86 etot -8.6597E+01 mv 6 49 174 178 0 - 4 e 258 85 etot -8.0437E+01 mv 6 49 174 101 0 - 4 e 337 76 etot -8.8114E+01 mv 6 49 1 17 0 - -1 e 1 107 etot 1.3026E+21 mv 6 49 36 88 0 - 4 e 689 43 etot -8.3698E+01 mv 6 49 165 143 0 c 165 14.1 0.0 - 4 e 478 78 etot -7.8137E+01 mv 6 49 1 119 0 - 4 e 381 73 etot -8.6122E+01 mv 6 49 1 107 0 - 4 e 673 64 etot -8.0379E+01 mv 6 49 139 150 0 - 4 e 505 69 etot -6.8618E+01 mv 6 49 139 171 0 - 4 e 513 71 etot -8.3012E+01 mv 6 49 1 70 0 - 4 e 342 80 etot -8.0780E+01 mv 6 49 1 49 0 - 4 e 468 61 etot -8.5687E+01 mv 6 49 139 124 0 - 4 e 462 81 etot -6.9704E+01 mv 6 49 174 28 0 - 4 e 716 48 etot -8.4592E+01 mv 6 49 165 90 0 - 4 e 433 83 etot -8.0320E+01 mv 6 49 174 184 0 - 4 e 342 90 etot -7.4822E+01 mv 6 49 174 160 0 - 4 e 207 105 etot -8.3393E+01 mv 6 49 36 37 0 - -1 e 1 121 etot 1.3528E+20 mv 6 49 124 151 0 - 4 e 269 93 etot -9.0746E+01 mv 6 49 8 113 0 - 4 e 158 109 etot -8.7459E+01 mv 6 49 36 162 0 - -1 e 1 124 etot 1.3528E+20 mv 6 49 124 144 0 - 4 e 472 87 etot -8.2504E+01 mv 6 49 174 145 0 - 4 e 649 68 etot -8.3453E+01 mv 6 49 139 77 0 - 4 e 317 92 etot -7.7380E+01 mv 6 49 8 32 0 - 4 e 98 117 etot -8.5376E+01 mv 6 49 200 97 0 c 97 1.5 0.0 - 4 e 472 88 etot -8.6302E+01 mv 6 49 174 196 0 - 4 e 598 79 etot -8.2632E+01 mv 6 49 1 127 0 - 4 e 285 100 etot -8.3550E+01 mv 6 49 8 65 0 - -1 e 1 132 etot 1.3528E+20 mv 6 49 183 99 0 - 4 e 301 102 etot -8.7772E+01 mv 6 49 36 105 0 - 4 e 368 104 etot -7.7022E+01 mv 6 49 36 57 0 - 4 e 257 112 etot -7.3920E+01 mv 6 49 200 195 0 - 4 e 240 98 etot -9.0900E+01 mv 6 49 8 40 0 - -1 e 1 137 etot 1.3528E+20 mv 6 49 183 139 0 - 4 e 234 108 etot -8.7772E+01 mv 6 49 36 71 0 - 4 e 395 106 etot -7.9785E+01 mv 6 49 36 16 0 - 4 e 201 123 etot -8.6613E+01 mv 6 49 124 3 0 - 4 e 480 95 etot -8.2545E+01 mv 6 49 8 31 0 - 4 e 279 120 etot -8.2745E+01 mv 6 49 200 60 0 - 4 e 333 114 etot -7.5986E+01 mv 6 49 200 172 0 - 4 e 208 131 etot -7.1691E+01 mv 6 49 183 105 0 - -1 e 1 145 etot 1.3528E+20 mv 6 49 167 195 0 - 4 e 206 133 etot -6.9743E+01 mv 6 49 183 174 0 - 4 e 261 111 etot -8.0566E+01 mv 6 49 200 90 0 - -1 e 1 148 etot 1.3528E+20 mv 6 49 167 197 0 - 4 e 266 127 etot -8.8025E+01 mv 6 49 124 59 0 - 4 e 253 130 etot -8.2854E+01 mv 6 49 124 99 0 - 4 e 298 128 etot -7.3458E+01 mv 6 49 124 176 0 - -1 e 1 152 etot 1.3528E+20 mv 6 49 38 24 0 - 4 e 421 113 etot -8.3309E+01 mv 6 49 200 112 0 - 4 e 612 94 etot -7.9108E+01 mv 6 49 8 32 0 - 4 e 338 122 etot -8.4824E+01 mv 6 49 124 71 0 - 4 e 394 119 etot -7.7834E+01 mv 6 49 200 199 0 - 4 e 360 125 etot -8.2801E+01 mv 6 49 124 94 0 - 4 e 243 135 etot -8.6248E+01 mv 6 49 183 22 0 - 4 e 375 126 etot -7.5021E+01 mv 6 49 124 95 0 - 4 e 659 96 etot -8.1330E+01 mv 6 49 8 163 0 - 4 e 501 91 etot -8.5011E+01 mv 6 49 8 46 0 - 4 e 351 134 etot -8.6605E+01 mv 6 49 183 173 0 - -1 e 1 163 etot 1.3528E+20 mv 6 49 180 4 0 - 4 e 201 138 etot -8.2918E+01 mv 6 49 183 200 0 - 4 e 546 118 etot -8.4859E+01 mv 6 49 200 193 0 - 4 e 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mv 2 49 8 65 0 - 4 e 327 237 etot -8.3134E+01 mv 2 49 1 -194 0 - 4 e 261 246 etot -8.8603E+01 mv 2 49 8 158 0 - 4 e 543 224 etot -7.2506E+01 mv 2 49 165 -159 0 - 4 e 344 238 etot -8.8114E+01 mv 2 49 1 -8 0 - 4 e 288 247 etot -7.5624E+01 mv 2 49 8 -87 0 - 4 e 138 254 etot -7.0780E+01 mv 2 49 36 143 0 - 4 e 448 222 etot -6.4617E+01 mv 2 49 165 -5 0 - 4 e 526 228 etot -9.0757E+01 mv 2 49 44 195 0 - 4 e 313 245 etot -7.8411E+01 mv 2 49 174 -155 0 - 4 e 323 244 etot -7.9617E+01 mv 2 49 174 -71 0 - 4 e 550 226 etot -8.2931E+01 mv 2 49 44 -62 0 - 4 e 190 258 etot -8.7223E+01 mv 2 49 200 179 0 - 4 e 458 241 etot -8.2492E+01 mv 2 49 174 -5 0 - 4 e 344 255 etot -7.6413E+01 mv 2 49 36 8 0 - 4 e 392 250 etot -7.5302E+01 mv 2 49 8 -5 0 - 4 e 203 270 etot -8.7603E+01 mv 2 49 183 44 0 - 4 e 148 268 etot -8.7603E+01 mv 2 49 183 26 0 - 4 e 358 253 etot -8.6565E+01 mv 2 49 36 190 0 - 4 e 223 269 etot -8.6138E+01 mv 2 49 183 -58 0 - 4 e 360 256 etot -7.8121E+01 mv 2 49 200 -32 0 - 4 e 492 227 etot 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0 - -1 e 1 310 etot 1.3528E+20 mv 1 49 117 -107 0 - 4 e 143 286 etot -8.7121E+01 mv 2 49 59 78 0 c 59 0.8 0.0 - 4 e 321 263 etot -7.9164E+01 mv 2 49 124 13 0 - 4 e 416 273 etot -8.4280E+01 mv 2 49 167 74 0 - 4 e 432 272 etot -8.5905E+01 mv 2 49 167 117 0 - 4 e 305 276 etot -8.7216E+01 mv 2 49 38 104 0 - 4 e 266 295 etot -7.9308E+01 mv 2 49 157 -166 0 - 4 e 309 288 etot -8.7455E+01 mv 2 49 59 2 0 - 4 e 584 262 etot -7.7477E+01 mv 2 49 124 -71 0 - 4 e 255 299 etot -6.7985E+01 mv 2 49 51 -63 0 - 4 e 341 289 etot -8.3012E+01 mv 2 49 59 16 0 - 4 e 247 303 etot -7.5877E+01 mv 1 49 55 -2 0 - 4 e 207 300 etot -8.5337E+01 mv 2 49 51 -106 0 - 4 e 403 287 etot -7.6238E+01 mv 2 49 59 -150 0 - 4 e 438 284 etot -8.5108E+01 mv 2 49 180 26 0 - 4 e 245 308 etot -9.1994E+01 mv 1 49 117 -35 0 - 4 e 617 278 etot -8.1838E+01 mv 2 49 38 102 0 - 4 e 414 294 etot -8.2468E+01 mv 2 49 157 134 0 c 17 342.1 0.2 - 4 e 221 314 etot -8.4981E+01 mv 1 49 129 -172 0 - 4 e 403 296 etot -8.6399E+01 mv 2 49 51 -83 0 - 4 e 652 277 etot -8.4338E+01 mv 2 49 38 71 0 c 146 118.5 1.8 - 4 e 270 311 etot -8.4570E+01 mv 1 49 129 -185 0 - 4 e 226 315 etot -8.4981E+01 mv 1 49 129 -79 0 - 4 e 341 309 etot -9.0065E+01 mv 1 49 117 -147 0 - 4 e 236 318 etot -7.6401E+01 mv 1 49 135 -16 0 - 4 e 394 304 etot -8.5282E+01 mv 1 49 55 -58 0 - 4 e 537 292 etot -8.0944E+01 mv 2 49 157 -37 0 - 4 e 293 306 etot -9.1042E+01 mv 1 49 117 -3 0 c 117 100.1 0.1 - 4 e 299 320 etot -7.7720E+01 mv 1 49 135 -27 0 - 4 e 512 302 etot -4.5869E+01 mv 1 49 55 -30 0 - 4 e 201 325 etot -8.3659E+01 mv 1 49 165 -93 0 - 4 e 179 333 etot -6.9256E+01 mv 1 49 139 -160 0 - 4 e 348 317 etot -7.9237E+01 mv 1 49 135 -22 0 - 4 e 354 319 etot -6.7222E+01 mv 1 49 135 -110 0 - 4 e 267 316 etot -8.6053E+01 mv 1 49 135 -47 0 - 4 e 293 322 etot -6.0899E+01 mv 1 49 165 -176 0 - 4 e 200 330 etot -8.4382E+01 mv 1 49 44 -177 0 - 4 e 673 293 etot -8.6795E+01 mv 2 49 157 -32 0 - 4 e 435 298 etot -7.7567E+01 mv 2 49 51 -36 0 - 4 e 267 328 etot -8.3922E+01 mv 1 49 44 -39 0 - 4 e 654 297 etot -8.5469E+01 mv 2 49 51 151 0 - 4 e 389 305 etot -7.3817E+01 mv 1 49 55 -80 0 - 4 e 293 326 etot -8.4108E+01 mv 1 49 44 90 0 - 4 e 213 335 etot -8.5655E+01 mv 1 49 139 -194 0 - 4 e 419 321 etot -8.3658E+01 mv 1 49 165 -59 0 - 4 e 398 312 etot -7.7270E+01 mv 1 49 129 -164 0 - 4 e 687 301 etot -7.6834E+01 mv 1 49 55 -24 0 - 4 e 552 291 etot -8.0758E+01 mv 2 49 157 116 0 - 4 e 178 340 etot -8.7938E+01 mv 1 49 1 189 0 - 4 e 154 346 etot -8.9201E+01 mv 1 49 8 164 0 - 4 e 365 331 etot -8.3548E+01 mv 1 49 139 -80 0 - 4 e 132 348 etot -8.9201E+01 mv 1 49 8 22 0 - 4 e 190 341 etot -8.7383E+01 mv 1 49 174 92 0 - 4 e 399 327 etot -8.2583E+01 mv 1 49 44 89 0 - 4 e 190 343 etot -8.7383E+01 mv 1 49 174 92 0 - -1 e 1 365 etot 1.3528E+20 mv 1 49 124 -76 0 - 4 e 289 337 etot -8.7907E+01 mv 1 49 1 -141 0 - 4 e 312 336 etot -8.6265E+01 mv 1 49 1 -191 0 - 4 e 435 329 etot -7.6760E+01 mv 1 49 44 -146 0 - 4 e 417 332 etot -8.3549E+01 mv 1 49 139 195 0 - 4 e 282 339 etot -8.8115E+01 mv 1 49 1 60 0 - 4 e 172 351 etot -8.6335E+01 mv 1 49 36 135 0 - 4 e 165 353 etot -8.7772E+01 mv 1 49 36 171 0 - 4 e 326 344 etot -7.4762E+01 mv 1 49 174 -141 0 - 4 e 591 324 etot -7.0326E+01 mv 1 49 165 -136 0 - 4 e 186 352 etot -8.7772E+01 mv 1 49 36 -108 0 - 4 e 249 355 etot -8.7772E+01 mv 1 49 36 -130 0 - 4 e 390 342 etot -8.5634E+01 mv 1 49 174 46 0 - 4 e 309 350 etot -8.7630E+01 mv 1 49 8 -61 0 - 4 e 221 362 etot -8.8025E+01 mv 1 49 124 24 0 - 4 e 239 364 etot -8.7756E+01 mv 1 49 124 122 0 - 4 e 251 361 etot -8.7809E+01 mv 1 49 124 156 0 - 4 e 568 334 etot -7.9780E+01 mv 1 49 139 -134 0 - 4 e 460 347 etot -6.7829E+01 mv 1 49 8 -172 0 - 4 e 328 359 etot -8.7223E+01 mv 1 49 200 101 0 - 4 e 268 370 etot -8.6971E+01 mv 1 49 183 -194 0 - 4 e 253 372 etot -8.7722E+01 mv 1 49 167 25 0 - 4 e 672 313 etot -7.8780E+01 mv 1 49 129 -39 0 - 4 e 401 354 etot -8.7771E+01 mv 1 49 36 140 0 - 4 e 141 378 etot -8.5954E+01 mv 1 49 38 -119 0 - 4 e 363 363 etot -7.9502E+01 mv 1 49 124 -91 0 - 4 e 111 383 etot -8.7150E+01 mv 1 49 180 -6 0 - 4 e 353 367 etot -7.6646E+01 mv 1 49 183 -89 0 - 4 e 186 377 etot -6.6837E+01 mv 1 49 38 24 0 - 4 e 344 349 etot -7.9550E+01 mv 1 49 8 6 0 - 4 e 378 368 etot -8.6730E+01 mv 1 49 183 -26 0 - 4 e 334 371 etot -8.7721E+01 mv 1 49 167 140 0 - -1 e 1 397 etot 1.3528E+20 mv 1 49 51 -78 0 - 4 e 370 369 etot -7.8938E+01 mv 1 49 183 -78 0 - 4 e 606 323 etot -6.2977E+01 mv 1 49 165 -175 0 - 4 e 445 360 etot -7.9946E+01 mv 1 49 200 -75 0 - 4 e 304 374 etot -8.7722E+01 mv 1 49 167 89 0 - 4 e 238 379 etot -8.7216E+01 mv 1 49 38 172 0 - 4 e 151 385 etot -8.7150E+01 mv 1 49 180 13 0 - 4 e 210 381 etot -8.7150E+01 mv 1 49 180 166 0 - 4 e 393 373 etot -7.2064E+01 mv 1 49 167 -137 0 - 4 e 19 406 etot -8.4500E+01 mv 0 49 44 0 0 c 44 0.0 0.0 - 4 e 10 407 etot -8.8359E+01 mv 0 49 139 0 0 c 139 0.0 0.0 - 4 e 12 408 etot -8.8115E+01 mv 0 49 1 0 0 c 1 0.0 0.0 - 4 e 18 409 etot -8.7383E+01 mv 0 49 174 0 0 c 174 0.0 0.0 - 4 e 2 410 etot -8.9201E+01 mv 0 49 8 0 0 - 4 e 89 401 etot -8.5308E+01 mv 0 49 55 0 0 c 55 1.1 0.0 - 4 e 17 411 etot -8.7772E+01 mv 0 49 36 0 0 - 4 e 331 380 etot -7.8333E+01 mv 1 49 38 -68 0 - 4 e 246 376 etot -8.7120E+01 mv 1 49 38 -75 0 - 4 e 96 404 etot -8.6896E+01 mv 0 49 135 0 0 - 4 e 97 405 etot -8.3659E+01 mv 0 49 165 0 0 - 4 e 102 403 etot -8.4981E+01 mv 0 49 129 0 0 - 4 e 13 414 etot -8.7603E+01 mv 0 49 183 0 0 c 183 0.0 0.0 - 4 e 635 357 etot -8.3278E+01 mv 1 49 200 -91 0 -## N0 total= 23 close= 11 far= 0 %acc 47.8 -## N1 total= 97 close= 1 far= 0 %acc 1.0 -## N2 total= 100 close= 4 far= 0 %acc 4.0 -## N3 total= 0 close= 0 far= 0 %acc 0.0 -## N4 total= 0 close= 0 far= 0 %acc 0.0 -## N5 total= 0 close= 0 far= 0 %acc 0.0 -## N6 total= 200 close= 9 far= 1 %acc 5.0 -## N7 total= 0 close= 0 far= 0 %acc 0.0 -## N8 total= 0 close= 0 far= 0 %acc 0.0 -## N9 total= 0 close= 0 far= 0 %acc 0.0 -##N10 total= 0 close= 0 far= 0 %acc 0.0 -##N11 total= 0 close= 0 far= 0 %acc 0.0 -##N12 total= 0 close= 0 far= 0 %acc 0.0 -##N13 total= 0 close= 0 far= 0 %acc 0.0 -##N14 total= 0 close= 0 far= 0 %acc 0.0 -##N15 total= 0 close= 0 far= 0 %acc 0.0 -##N16 total= 0 close= 0 far= 0 %acc 0.0 -##N17 total= 0 close= 0 far= 0 %acc 0.0 -##N18 total= 0 close= 0 far= 0 %acc 0.0 - Time for refresh 50 0.27 - make_var : nseed= 20 ntry= 420 - Time for make trial 51 0.14 -Nonsetup time 101.29 sec, Eval/s = 64856.42 -Time for iter 51 1.73 sec, Eval/s = 65653.05 - UPDATING 420 - 4 e 231 391 etot -8.6797E+01 mv 1 49 157 142 0 - 4 e 293 384 etot -8.7150E+01 mv 1 49 180 -130 0 - 4 e 45 416 etot -8.7217E+01 mv 0 49 38 0 0 c 38 0.2 0.0 - 4 e 385 399 etot -8.6876E+01 mv 1 49 51 191 0 c 51 31.2 0.3 - 4 e 276 390 etot -8.7121E+01 mv 1 49 59 164 0 - 4 e 116 412 etot -8.7223E+01 mv 0 49 200 0 0 c 200 0.8 0.0 - 4 e 45 413 etot -8.8026E+01 mv 0 49 124 0 0 - 4 e 76 418 etot -8.7121E+01 mv 0 49 59 0 0 c 59 0.7 0.0 - 4 e 364 392 etot -7.1450E+01 mv 1 49 157 -40 0 - 4 e 449 387 etot -8.1773E+01 mv 1 49 59 70 0 - 4 e 790 375 etot -8.7514E+01 mv 1 49 167 68 0 c 96 203.2 0.6 - 4 e 394 382 etot -8.7149E+01 mv 1 49 180 -54 0 - 4 e 21 419 etot -8.6798E+01 mv 0 49 157 0 0 c 157 0.0 0.0 - 4 e 517 398 etot -8.4131E+01 mv 1 49 51 157 0 - 4 e 275 386 etot -7.4323E+01 mv 1 49 59 22 0 - 4 e 316 393 etot -8.6797E+01 mv 1 49 157 194 0 - 4 e 304 394 etot -8.1029E+01 mv 1 49 157 -155 0 - 4 e 34 420 etot -8.6595E+01 mv 0 49 51 0 0 - 4 e 638 366 etot -5.7315E+01 mv 1 49 183 -129 0 - 4 e 139 402 etot -9.0931E+01 mv 0 49 117 0 0 - 4 e 204 396 etot -8.6595E+01 mv 1 49 51 -7 0 - 4 e 390 389 etot -8.7119E+01 mv 1 49 59 67 0 - 4 e 44 417 etot -8.7150E+01 mv 0 49 180 0 0 - 4 e 46 415 etot -8.7723E+01 mv 0 49 167 0 0 c 167 0.1 0.0 - 4 e 528 388 etot -8.9686E+01 mv 1 49 59 8 0 - 4 e 492 395 etot -8.1928E+01 mv 1 49 157 117 0 - 4 e 658 358 etot -8.4355E+01 mv 1 49 200 -126 0 - 4 e 535 338 etot -8.4747E+01 mv 1 49 1 96 0 - 4 e 299 400 etot -8.6595E+01 mv 1 49 51 -123 0 - 4 e 342 356 etot -8.7222E+01 mv 1 49 200 126 0 - 4 e 487 345 etot -8.7382E+01 mv 1 49 174 -141 0 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etot -8.5234E+01 mv 6 50 122 100 0 f 34 373.2 3.3 - 4 e 401 41 etot -8.3371E+01 mv 6 50 135 102 0 - 4 e 325 49 etot -8.3477E+01 mv 6 50 135 87 0 c 87 72.6 1.2 - -1 e 1 95 etot 1.3528E+20 mv 6 50 77 155 0 - 4 e 462 37 etot -8.2669E+01 mv 6 50 122 87 0 - 4 e 303 65 etot -7.1122E+01 mv 6 50 165 123 0 - 4 e 64 89 etot -8.2244E+01 mv 6 50 180 63 0 c 63 0.2 0.0 - 4 e 16 99 etot -8.4391E+01 mv 6 50 77 194 0 c 194 0.0 0.0 - 4 e 322 64 etot -7.7279E+01 mv 6 50 165 78 0 - 4 e 327 67 etot -7.1102E+01 mv 6 50 165 19 0 - 4 e 269 69 etot -8.1327E+01 mv 6 50 165 97 0 - 4 e 236 78 etot -8.4467E+01 mv 6 50 179 131 0 c 179 1.7 0.0 - 4 e 335 66 etot -7.5544E+01 mv 6 50 165 85 0 - 4 e 380 63 etot -8.1455E+01 mv 6 50 165 61 0 - 4 e 293 61 etot -7.0113E+01 mv 6 50 165 197 0 - 4 e 299 77 etot -8.4468E+01 mv 6 50 179 100 0 c 179 2.9 0.0 - 4 e 529 56 etot -6.8115E+01 mv 6 50 146 176 0 - -1 e 1 109 etot 1.3528E+20 mv 6 50 24 34 0 - -1 e 1 108 etot 1.3528E+20 mv 6 50 24 75 0 - 4 e 337 74 etot -8.6360E+01 mv 6 50 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etot -8.9363E+01 mv 6 50 24 46 0 - 4 e 258 104 etot -8.9544E+01 mv 6 50 24 119 0 - 4 e 229 111 etot -7.5282E+01 mv 6 50 139 29 0 - 4 e 352 98 etot -8.3103E+01 mv 6 50 77 50 0 - 4 e 343 100 etot -7.5979E+01 mv 6 50 77 34 0 - 4 e 341 101 etot -8.9324E+01 mv 6 50 24 33 0 - 4 e 196 120 etot -8.8359E+01 mv 6 50 139 158 0 - 4 e 182 121 etot -8.8445E+01 mv 6 50 161 177 0 - 4 e 276 110 etot -7.3426E+01 mv 6 50 24 80 0 - 4 e 263 114 etot -8.7276E+01 mv 6 50 139 161 0 - 4 e 273 117 etot -8.2126E+01 mv 6 50 139 177 0 - 4 e 230 107 etot -7.3150E+01 mv 6 50 24 189 0 - 4 e 268 97 etot -7.5181E+01 mv 6 50 77 12 0 - 4 e 227 122 etot -8.8199E+01 mv 6 50 161 40 0 - 4 e 303 92 etot -7.9257E+01 mv 6 50 77 200 0 - 4 e 277 118 etot -8.4093E+01 mv 6 50 139 64 0 - -1 e 1 148 etot 1.3528E+20 mv 6 50 124 180 0 - 4 e 181 125 etot -7.2714E+01 mv 6 50 161 137 0 - -1 e 1 150 etot 3.6572E+22 mv 6 50 124 55 0 - 4 e 433 105 etot -7.6305E+01 mv 6 50 24 70 0 - 4 e 391 113 etot -7.8771E+01 mv 6 50 139 57 0 - 4 e 237 130 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0 - 4 e 247 174 etot -8.7380E+01 mv 6 50 41 70 0 - 4 e 158 194 etot -8.6806E+01 mv 6 50 162 15 0 - 4 e 249 184 etot -8.7877E+01 mv 6 50 59 6 0 - 4 e 262 183 etot -8.3899E+01 mv 6 50 59 99 0 - 4 e 199 191 etot -8.6806E+01 mv 6 50 162 156 0 - 4 e 225 190 etot -8.6823E+01 mv 6 50 59 93 0 - 4 e 311 181 etot -7.8788E+01 mv 6 50 59 129 0 - 4 e 184 195 etot -8.6806E+01 mv 6 50 162 189 0 - 4 e 313 166 etot -8.2263E+01 mv 6 50 174 87 0 - 4 e 167 202 etot -5.4542E+01 mv 2 50 17 -111 0 - 4 e 240 178 etot -8.7380E+01 mv 6 50 41 6 0 - 4 e 480 168 etot -7.8882E+01 mv 6 50 174 28 0 - 4 e 213 201 etot -8.2470E+01 mv 2 50 17 -79 0 - 4 e 226 200 etot -8.6405E+01 mv 6 50 162 28 0 - 4 e 300 193 etot -7.8438E+01 mv 6 50 162 30 0 - 4 e 299 196 etot -7.8417E+01 mv 6 50 162 108 0 - 4 e 510 164 etot -7.9789E+01 mv 6 50 174 68 0 - 4 e 160 221 etot -8.7039E+01 mv 2 50 135 -44 0 c 135 1.1 0.0 - -1 e 1 234 etot 1.3528E+20 mv 2 50 165 -30 0 - 4 e 272 212 etot -6.2180E+01 mv 2 50 117 -72 0 - 4 e 271 199 etot 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mv 2 50 139 -13 0 - 4 e 252 230 etot -7.2268E+01 mv 2 50 146 -90 0 - 4 e 240 227 etot -6.0672E+01 mv 2 50 146 -17 0 - 4 e 432 222 etot -6.4379E+01 mv 2 50 135 -140 0 - 4 e 498 209 etot -8.2511E+01 mv 2 50 37 -78 0 - 4 e 199 240 etot -8.4468E+01 mv 2 50 179 -159 0 - 4 e 172 243 etot -7.8039E+01 mv 2 50 180 -82 0 - 4 e 408 229 etot -6.4856E+01 mv 2 50 146 -79 0 - 4 e 321 215 etot -8.7519E+01 mv 2 50 117 -200 0 c 96 4.5 0.0 - 4 e 525 213 etot -7.9004E+01 mv 2 50 117 -72 0 - 4 e 351 233 etot -7.8090E+01 mv 2 50 165 -85 0 - 4 e 207 245 etot -8.5842E+01 mv 2 50 180 -164 0 - 4 e 374 228 etot -7.7592E+01 mv 2 50 146 -46 0 - 4 e 386 216 etot -8.4269E+01 mv 2 50 122 -73 0 - 4 e 187 250 etot -8.3879E+01 mv 2 50 77 81 0 - 4 e 329 236 etot -7.6762E+01 mv 2 50 179 -71 0 - 4 e 380 225 etot -7.7826E+01 mv 2 50 135 -85 0 - 4 e 258 248 etot -8.2238E+01 mv 2 50 77 -43 0 - -1 e 1 274 etot 1.3528E+20 mv 2 50 124 -123 0 - 4 e 328 241 etot -8.5908E+01 mv 2 50 180 -167 0 - -1 e 1 276 etot 1.3528E+20 mv 2 50 36 -108 0 - 4 e 148 260 etot -8.8359E+01 mv 2 50 139 140 0 - 4 e 446 217 etot -5.3095E+01 mv 2 50 122 -35 0 - 4 e 312 244 etot -7.6278E+01 mv 2 50 180 -55 0 - 4 e 284 249 etot -8.3183E+01 mv 2 50 77 14 0 - 4 e 237 255 etot -9.0746E+01 mv 2 50 24 90 0 - 4 e 291 254 etot -7.6565E+01 mv 2 50 24 -188 0 - -1 e 1 283 etot 1.3528E+20 mv 2 50 174 -125 0 - 4 e 499 205 etot -7.9305E+01 mv 2 50 17 -36 0 - 4 e 326 252 etot -8.3731E+01 mv 2 50 24 68 0 - 4 e 334 251 etot -9.0746E+01 mv 2 50 24 36 0 - 4 e 189 269 etot -7.7022E+01 mv 2 50 1 199 0 - 4 e 391 246 etot -6.8865E+01 mv 2 50 77 137 0 - 4 e 622 231 etot -7.8632E+01 mv 2 50 165 -29 0 - 4 e 151 277 etot -8.7772E+01 mv 2 50 36 -100 0 - 4 e 257 266 etot -7.2829E+01 mv 2 50 1 32 0 - 4 e 247 268 etot -7.6199E+01 mv 2 50 1 -114 0 - 4 e 310 242 etot -8.6715E+01 mv 2 50 180 -154 0 - 4 e 340 262 etot -6.0010E+01 mv 2 50 161 -198 0 - 4 e 158 282 etot -7.4085E+01 mv 2 50 174 134 0 - 4 e 265 278 etot -7.2709E+01 mv 2 50 36 -61 0 - 4 e 311 272 etot 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131 298 etot -8.6976E+01 mv 2 50 162 186 0 - 4 e 375 284 etot -7.5613E+01 mv 2 50 174 67 0 - 4 e 604 263 etot -7.8308E+01 mv 2 50 161 182 0 - -1 e 1 321 etot 1.3528E+20 mv 1 50 135 -197 0 - 4 e 262 285 etot -8.7184E+01 mv 2 50 174 -131 0 - 4 e 342 290 etot -8.6328E+01 mv 2 50 41 -166 0 - 4 e 199 310 etot -6.9406E+01 mv 1 50 37 -65 0 - 4 e 627 267 etot -8.2262E+01 mv 2 50 1 76 0 - 4 e 371 293 etot -8.2077E+01 mv 2 50 59 -177 0 - 4 e 446 286 etot -8.4611E+01 mv 2 50 41 13 0 - 4 e 257 299 etot -8.6976E+01 mv 2 50 162 -112 0 - 4 e 438 287 etot -8.2011E+01 mv 2 50 41 31 0 - 4 e 262 301 etot -8.2469E+01 mv 1 50 17 -86 0 - 4 e 182 316 etot -8.8051E+01 mv 1 50 122 -50 0 c 122 3.6 0.0 - 4 e 551 281 etot -7.8375E+01 mv 2 50 174 80 0 - 4 e 278 294 etot -8.6791E+01 mv 2 50 59 67 0 - -1 e 1 334 etot 1.3528E+20 mv 1 50 165 -107 0 - 4 e 290 308 etot -7.2041E+01 mv 1 50 37 -179 0 - 4 e 462 270 etot -8.2454E+01 mv 2 50 1 -52 0 - 4 e 228 305 etot -8.2470E+01 mv 1 50 17 -139 0 - -1 e 1 338 etot 1.3528E+20 mv 1 50 179 -16 0 - 4 e 575 259 etot -6.9855E+01 mv 2 50 139 -130 0 - 4 e 156 325 etot -7.4790E+01 mv 1 50 135 -193 0 - 4 e 252 309 etot -7.1469E+01 mv 1 50 37 -133 0 - 4 e 518 291 etot -8.7119E+01 mv 2 50 59 189 0 - 4 e 270 319 etot -6.9707E+01 mv 1 50 122 -154 0 - 4 e 367 312 etot -7.1480E+01 mv 1 50 117 -86 0 - 4 e 262 320 etot -8.7644E+01 mv 1 50 122 -171 0 - 4 e 362 314 etot -8.4393E+01 mv 1 50 117 -143 0 - 4 e 443 304 etot -7.0815E+01 mv 1 50 17 -10 0 - 4 e 220 329 etot -7.3129E+01 mv 1 50 146 -119 0 - 4 e 266 324 etot -8.4290E+01 mv 1 50 135 -99 0 - 8 e 313 322 etot -6.3993E+01 mv 1 50 135 -133 0 - 4 e 654 292 etot -8.2567E+01 mv 2 50 59 160 0 - 4 e 305 332 etot -5.5863E+01 mv 1 50 165 -93 0 - -1 e 1 353 etot 1.3528E+20 mv 1 50 24 -109 0 - 4 e 160 345 etot -8.6855E+01 mv 1 50 180 -26 0 - 4 e 328 328 etot -7.5293E+01 mv 1 50 146 -62 0 - 4 e 384 307 etot -7.4594E+01 mv 1 50 37 -5 0 - -1 e 1 356 etot 1.3528E+20 mv 1 50 139 -150 0 - 4 e 531 313 etot -8.7403E+01 mv 1 50 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etot 1.3528E+20 mv 1 50 36 12 0 - 4 e 236 355 etot -9.0747E+01 mv 1 50 24 62 0 - 4 e 358 349 etot -8.3184E+01 mv 1 50 77 148 0 - -1 e 1 382 etot 1.3528E+20 mv 1 50 174 185 0 - 4 e 390 347 etot -8.2460E+01 mv 1 50 77 -85 0 - 4 e 743 318 etot -8.2816E+01 mv 1 50 122 -157 0 - 4 e 448 323 etot -7.8197E+01 mv 1 50 135 -171 0 - 4 e 368 339 etot -7.2648E+01 mv 1 50 179 -163 0 - 4 e 285 358 etot -8.8358E+01 mv 1 50 139 81 0 - 4 e 269 360 etot -8.7276E+01 mv 1 50 139 195 0 - 4 e 218 366 etot -8.8115E+01 mv 1 50 1 156 0 - 4 e 276 363 etot -7.6553E+01 mv 1 50 161 186 0 - -1 e 1 391 etot 1.3528E+20 mv 1 50 59 126 0 - 4 e 199 369 etot -8.8115E+01 mv 1 50 1 -65 0 - 4 e 278 364 etot -8.7713E+01 mv 1 50 161 -55 0 - 4 e 322 359 etot -8.5038E+01 mv 1 50 139 -45 0 - 4 e 210 370 etot -8.8115E+01 mv 1 50 1 89 0 - 4 e 146 380 etot -8.7772E+01 mv 1 50 36 -109 0 - -1 e 1 397 etot 1.3528E+20 mv 1 50 162 184 0 - 4 e 452 335 etot -7.6711E+01 mv 1 50 165 -62 0 - 4 e 490 351 etot -9.0744E+01 mv 1 50 24 -66 0 - 4 e 438 354 etot -7.7832E+01 mv 1 50 24 43 0 - 4 e 251 365 etot -8.8445E+01 mv 1 50 161 -36 0 - 4 e 202 381 etot -8.7183E+01 mv 1 50 174 -81 0 - 4 e 310 373 etot -8.6218E+01 mv 1 50 124 -35 0 - 4 e 464 362 etot -7.5363E+01 mv 1 50 161 -35 0 - 4 e 323 374 etot -8.8025E+01 mv 1 50 124 30 0 - 4 e 235 385 etot -8.4096E+01 mv 1 50 174 -116 0 - 4 e 200 376 etot -8.7772E+01 mv 1 50 36 15 0 - 4 e 229 388 etot -8.7380E+01 mv 1 50 41 -78 0 - 4 e 307 375 etot -8.8025E+01 mv 1 50 124 41 0 - 4 e 111 401 etot -8.2470E+01 mv 0 50 17 0 0 - 4 e 264 383 etot -8.6945E+01 mv 1 50 174 -156 0 - 4 e 178 396 etot -8.6976E+01 mv 1 50 162 96 0 - 4 e 2 412 etot -8.8359E+01 mv 0 50 139 0 0 - 4 e 10 414 etot -8.8115E+01 mv 0 50 1 0 0 c 1 0.0 0.0 - 4 e 13 411 etot -9.0747E+01 mv 0 50 24 0 0 c 24 0.0 0.0 - 4 e 10 415 etot -8.8026E+01 mv 0 50 124 0 0 c 124 0.0 0.0 - 4 e 11 416 etot -8.7772E+01 mv 0 50 36 0 0 c 36 0.0 0.0 - 4 e 25 413 etot -8.8445E+01 mv 0 50 161 0 0 c 161 0.0 0.0 - 4 e 14 417 etot -8.7383E+01 mv 0 50 174 0 0 c 174 0.0 0.0 -## N0 total= 17 close= 11 far= 0 %acc 64.7 -## N1 total= 103 close= 3 far= 0 %acc 2.9 -## N2 total= 100 close= 3 far= 0 %acc 3.0 -## N3 total= 0 close= 0 far= 0 %acc 0.0 -## N4 total= 0 close= 0 far= 0 %acc 0.0 -## N5 total= 0 close= 0 far= 0 %acc 0.0 -## N6 total= 200 close= 19 far= 1 %acc 10.0 -## N7 total= 0 close= 0 far= 0 %acc 0.0 -## N8 total= 0 close= 0 far= 0 %acc 0.0 -## N9 total= 0 close= 0 far= 0 %acc 0.0 -##N10 total= 0 close= 0 far= 0 %acc 0.0 -##N11 total= 0 close= 0 far= 0 %acc 0.0 -##N12 total= 0 close= 0 far= 0 %acc 0.0 -##N13 total= 0 close= 0 far= 0 %acc 0.0 -##N14 total= 0 close= 0 far= 0 %acc 0.0 -##N15 total= 0 close= 0 far= 0 %acc 0.0 -##N16 total= 0 close= 0 far= 0 %acc 0.0 -##N17 total= 0 close= 0 far= 0 %acc 0.0 -##N18 total= 0 close= 0 far= 0 %acc 0.0 - Time for refresh 51 0.26 - make_var : nseed= 20 ntry= 420 - Time for make trial 52 0.05 -Nonsetup time 103.07 sec, Eval/s = 64944.43 -Time for iter 52 1.78 sec, Eval/s = 69960.02 - UPDATING 420 - 4 e 52 410 etot -8.3879E+01 mv 0 50 77 0 0 c 77 0.2 0.0 - 4 e 371 377 etot -8.3406E+01 mv 1 50 36 76 0 - 4 e 136 407 etot -8.3702E+01 mv 0 50 165 0 0 c 165 1.4 0.0 - 4 e 536 384 etot -7.3615E+01 mv 1 50 174 -86 0 - 4 e 45 420 etot -8.6976E+01 mv 0 50 162 0 0 c 162 0.2 0.0 - 4 e 385 398 etot -8.0686E+01 mv 1 50 162 -107 0 - 4 e 565 394 etot -7.8434E+01 mv 1 50 59 21 0 - 4 e 494 378 etot -7.6990E+01 mv 1 50 36 -3 0 - 4 e 266 400 etot -7.4506E+01 mv 1 50 162 56 0 - 4 e 42 419 etot -8.7121E+01 mv 0 50 59 0 0 c 59 0.6 0.0 - 4 e 109 403 etot -9.1042E+01 mv 0 50 117 0 0 c 117 0.9 0.0 - 4 e 490 392 etot -8.2396E+01 mv 1 50 59 -33 0 - 4 e 146 406 etot -8.4340E+01 mv 0 50 146 0 0 - -1 e 1 6 etot 1.3528E+20 mv 6 51 17 197 0 - 4 e 400 393 etot -8.4559E+01 mv 1 50 59 -139 0 - 4 e 81 405 etot -8.7040E+01 mv 0 50 135 0 0 c 135 0.7 0.0 - 4 e 588 372 etot -8.8096E+01 mv 1 50 124 -111 0 c 124 19.6 0.1 - 4 e 394 395 etot -7.6167E+01 mv 1 50 59 4 0 - 4 e 57 418 etot -8.7381E+01 mv 0 50 41 0 0 c 41 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-8.4205E+01 mv 6 51 34 33 0 - 4 e 419 30 etot -8.3196E+01 mv 6 51 37 150 0 c 37 2.8 0.0 - 4 e 440 9 etot -7.2347E+01 mv 6 51 17 191 0 - 4 e 435 26 etot -8.1187E+01 mv 6 51 37 169 0 - 4 e 131 48 etot -8.2017E+01 mv 6 51 87 102 0 - 4 e 14 61 etot -8.3899E+01 mv 6 51 179 21 0 c 21 0.0 0.0 - 4 e 194 39 etot -8.5639E+01 mv 6 51 51 151 0 - 4 e 476 23 etot -8.2115E+01 mv 6 51 37 133 0 - 4 e 476 28 etot -7.8190E+01 mv 6 51 37 97 0 - 4 e 268 34 etot -7.9728E+01 mv 6 51 51 173 0 - 4 e 491 2 etot -7.7990E+01 mv 6 51 17 49 0 - -1 e 1 71 etot 1.3528E+20 mv 6 51 196 179 0 - 4 e 128 63 etot -8.4502E+01 mv 6 51 179 49 0 c 179 1.4 0.0 - 4 e 206 47 etot -7.8152E+01 mv 6 51 87 127 0 - 4 e 228 45 etot -8.3479E+01 mv 6 51 87 174 0 c 87 3.0 0.0 - 4 e 554 18 etot -8.9525E+01 mv 6 51 34 85 0 c 116 159.7 0.9 - 4 e 257 43 etot -7.2562E+01 mv 6 51 87 49 0 - 4 e 215 54 etot -8.5859E+01 mv 6 51 96 196 0 - 4 e 294 40 etot -7.6494E+01 mv 6 51 51 88 0 - 4 e 348 42 etot -8.2880E+01 mv 6 51 87 178 0 - 4 e 394 50 etot -7.5033E+01 mv 6 51 87 33 0 - 4 e 319 58 etot -8.7518E+01 mv 6 51 96 56 0 - 4 e 305 65 etot -7.0123E+01 mv 6 51 179 31 0 - 4 e 174 70 etot -7.2105E+01 mv 6 51 179 170 0 - 4 e 209 73 etot -8.5859E+01 mv 6 51 196 88 0 - -1 e 1 85 etot 1.3528E+20 mv 6 51 24 159 0 - -1 e 1 86 etot 3.1113E+23 mv 6 51 24 40 0 - 4 e 442 49 etot -8.6094E+01 mv 6 51 87 39 0 - 4 e 396 56 etot -8.4992E+01 mv 6 51 96 146 0 - -1 e 1 89 etot 1.3528E+20 mv 6 51 24 123 0 - 4 e 310 53 etot -8.4735E+01 mv 6 51 96 26 0 - -1 e 1 91 etot 1.3528E+20 mv 6 51 139 199 0 - -1 e 1 92 etot 1.3528E+20 mv 6 51 139 182 0 - 4 e 501 51 etot -7.4986E+01 mv 6 51 96 70 0 - 4 e 454 35 etot -7.9703E+01 mv 6 51 51 160 0 - -1 e 1 94 etot 1.3528E+20 mv 6 51 139 55 0 - 4 e 240 68 etot -7.0782E+01 mv 6 51 179 118 0 - 4 e 500 52 etot -8.1779E+01 mv 6 51 96 26 0 - -1 e 1 98 etot 8.4542E+20 mv 6 51 139 198 0 - 4 e 497 36 etot -7.9161E+01 mv 6 51 51 24 0 - 4 e 433 44 etot -8.2271E+01 mv 6 51 87 144 0 - 4 e 322 66 etot -8.4501E+01 mv 6 51 179 178 0 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etot -8.8154E+01 mv 6 51 40 113 0 - 4 e 208 123 etot -8.5736E+01 mv 6 51 40 42 0 - 4 e 229 121 etot -8.8154E+01 mv 6 51 40 167 0 - 4 e 211 126 etot -8.7933E+01 mv 6 51 40 145 0 - 4 e 349 95 etot -8.7275E+01 mv 6 51 139 83 0 - 4 e 266 124 etot -8.8154E+01 mv 6 51 40 157 0 - 4 e 379 113 etot -7.8211E+01 mv 6 51 1 142 0 - 4 e 244 127 etot -8.4795E+01 mv 6 51 40 132 0 - 4 e 348 106 etot -8.3098E+01 mv 6 51 3 169 0 f 150 410.7 1.2 - 4 e 397 111 etot -8.2181E+01 mv 6 51 1 50 0 - 4 e 259 114 etot -7.3999E+01 mv 6 51 1 133 0 - 4 e 167 143 etot -7.7216E+01 mv 6 51 36 66 0 - 4 e 437 118 etot -7.5802E+01 mv 6 51 1 9 0 - 4 e 399 105 etot -8.7772E+01 mv 6 51 3 181 0 - -1 e 1 158 etot 1.3528E+20 mv 6 51 124 88 0 - -1 e 1 159 etot 1.3528E+20 mv 6 51 124 44 0 - 4 e 345 130 etot -8.0317E+01 mv 6 51 40 16 0 - 4 e 320 135 etot -8.3014E+01 mv 6 51 101 174 0 - 4 e 287 140 etot -7.5952E+01 mv 6 51 101 174 0 - 4 e 188 142 etot -8.7459E+01 mv 6 51 36 61 0 - 4 e 426 125 etot -8.2784E+01 mv 6 51 40 197 0 - 4 e 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4 -198 0 - 4 e 446 267 etot -8.5195E+01 mv 2 51 101 16 0 - 4 e 436 270 etot -7.6037E+01 mv 2 51 101 57 0 - 4 e 307 268 etot -7.7221E+01 mv 2 51 101 -88 0 - -1 e 1 314 etot 1.3528E+20 mv 1 51 37 -50 0 - 4 e 317 282 etot -8.4250E+01 mv 2 51 41 -12 0 - 4 e 291 285 etot -8.4196E+01 mv 2 51 41 -101 0 - 4 e 203 287 etot -6.6197E+01 mv 2 51 38 20 0 - 4 e 216 298 etot -8.6368E+01 mv 2 51 2 121 0 - 4 e 205 300 etot -8.6368E+01 mv 2 51 2 -122 0 - 4 e 349 284 etot -8.7380E+01 mv 2 51 41 30 0 - 4 e 493 272 etot -7.8221E+01 mv 2 51 36 5 0 - 4 e 523 248 etot -7.9667E+01 mv 2 51 139 -145 0 - 4 e 273 296 etot -8.6368E+01 mv 2 51 2 22 0 - 4 e 223 291 etot -8.6449E+01 mv 2 51 4 142 0 - 4 e 324 292 etot -8.4913E+01 mv 2 51 4 59 0 - 4 e 339 294 etot -7.6596E+01 mv 2 51 4 173 0 - 4 e 231 293 etot -8.0604E+01 mv 2 51 4 -152 0 - 4 e 510 273 etot -7.4586E+01 mv 2 51 36 -130 0 - -1 e 1 329 etot 1.6258E+24 mv 1 51 96 -108 0 - 4 e 256 297 etot -5.7447E+01 mv 2 51 2 -79 0 - 4 e 279 289 etot -7.4072E+01 mv 2 51 38 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etot -8.3196E+01 mv 1 51 37 -84 0 - 4 e 475 334 etot -7.9663E+01 mv 1 51 179 -49 0 - 4 e 249 348 etot -8.7960E+01 mv 1 51 139 125 0 - 4 e 344 333 etot -8.3372E+01 mv 1 51 179 -153 0 - 4 e 258 360 etot -8.8115E+01 mv 1 51 1 -74 0 - 4 e 225 361 etot -8.8154E+01 mv 1 51 40 2 0 - 4 e 182 366 etot -8.8087E+01 mv 1 51 101 20 0 - 4 e 201 353 etot -9.0745E+01 mv 1 51 3 2 0 - 4 e 312 350 etot -8.8358E+01 mv 1 51 139 152 0 - 4 e 239 349 etot -8.7959E+01 mv 1 51 139 49 0 - 4 e 302 354 etot -8.2654E+01 mv 1 51 3 144 0 - 4 e 444 344 etot -8.4981E+01 mv 1 51 24 -124 0 - 4 e 456 343 etot -9.0745E+01 mv 1 51 24 -86 0 - 4 e 156 373 etot -8.7772E+01 mv 1 51 36 180 0 - 4 e 278 362 etot -8.8004E+01 mv 1 51 40 58 0 - 4 e 178 372 etot -8.7772E+01 mv 1 51 36 71 0 - 4 e 232 369 etot -6.6140E+01 mv 1 51 101 -155 0 - 4 e 299 347 etot -8.8359E+01 mv 1 51 139 199 0 - 4 e 187 367 etot -8.8087E+01 mv 1 51 101 127 0 - 4 e 252 370 etot -8.8086E+01 mv 1 51 101 180 0 - 4 e 370 355 etot -8.3496E+01 mv 1 51 3 -52 0 - 4 e 404 351 etot -8.9966E+01 mv 1 51 3 -77 0 - 4 e 297 368 etot -8.8086E+01 mv 1 51 101 -44 0 - 4 e 559 342 etot -9.0745E+01 mv 1 51 24 180 0 - 4 e 363 345 etot -7.5577E+01 mv 1 51 24 -86 0 - 4 e 461 352 etot -9.0744E+01 mv 1 51 3 -20 0 - 4 e 353 365 etot -8.8153E+01 mv 1 51 40 -136 0 - 4 e 276 374 etot -8.7771E+01 mv 1 51 36 160 0 - 4 e 172 376 etot -8.8025E+01 mv 1 51 124 60 0 - -1 e 1 399 etot 1.3528E+20 mv 1 51 2 99 0 - 4 e 577 328 etot -7.7473E+01 mv 1 51 96 -66 0 - 4 e 485 358 etot -8.8112E+01 mv 1 51 1 -16 0 - 4 e 206 385 etot -8.7381E+01 mv 1 51 41 65 0 - 4 e 262 378 etot -8.8025E+01 mv 1 51 124 24 0 - 4 e 277 379 etot -7.3464E+01 mv 1 51 124 -126 0 - 4 e 173 382 etot -8.7381E+01 mv 1 51 41 51 0 - 4 e 222 389 etot -6.2141E+01 mv 1 51 38 -151 0 - 4 e 12 409 etot -9.0747E+01 mv 0 51 24 0 0 c 24 0.0 0.0 - 4 e 2 410 etot -8.8359E+01 mv 0 51 139 0 0 - 4 e 383 375 etot -8.7771E+01 mv 1 51 36 142 0 - 4 e 97 404 etot -8.6876E+01 mv 0 51 51 0 0 c 51 1.1 0.0 - 4 e 197 393 etot -8.6449E+01 mv 1 51 4 20 0 - 4 e 210 380 etot -8.8025E+01 mv 1 51 124 190 0 - 4 e 11 414 etot -8.8087E+01 mv 0 51 101 0 0 c 101 0.0 0.0 - 4 e 171 391 etot -6.2663E+01 mv 1 51 4 -177 0 - 4 e 2 416 etot -8.8026E+01 mv 0 51 124 0 0 - 4 e 28 413 etot -8.8154E+01 mv 0 51 40 0 0 c 40 0.0 0.0 - 4 e 14 418 etot -8.7217E+01 mv 0 51 38 0 0 c 38 0.0 0.0 -## N0 total= 19 close= 14 far= 0 %acc 73.7 -## N1 total= 101 close= 5 far= 0 %acc 5.0 -## N2 total= 100 close= 2 far= 2 %acc 4.0 -## N3 total= 0 close= 0 far= 0 %acc 0.0 -## N4 total= 0 close= 0 far= 0 %acc 0.0 -## N5 total= 0 close= 0 far= 0 %acc 0.0 -## N6 total= 200 close= 9 far= 2 %acc 5.5 -## N7 total= 0 close= 0 far= 0 %acc 0.0 -## N8 total= 0 close= 0 far= 0 %acc 0.0 -## N9 total= 0 close= 0 far= 0 %acc 0.0 -##N10 total= 0 close= 0 far= 0 %acc 0.0 -##N11 total= 0 close= 0 far= 0 %acc 0.0 -##N12 total= 0 close= 0 far= 0 %acc 0.0 -##N13 total= 0 close= 0 far= 0 %acc 0.0 -##N14 total= 0 close= 0 far= 0 %acc 0.0 -##N15 total= 0 close= 0 far= 0 %acc 0.0 -##N16 total= 0 close= 0 far= 0 %acc 0.0 -##N17 total= 0 close= 0 far= 0 %acc 0.0 -##N18 total= 0 close= 0 far= 0 %acc 0.0 - Time for refresh 52 0.29 - make_var : nseed= 20 ntry= 420 - Time for make trial 53 0.08 -Nonsetup time 104.88 sec, Eval/s = 65009.80 -Time for iter 53 1.82 sec, Eval/s = 68719.21 - UPDATING 420 - 4 e 511 386 etot -8.7216E+01 mv 1 51 38 105 0 - 4 e 538 371 etot -7.9049E+01 mv 1 51 36 -186 0 - 4 e 71 411 etot -9.0746E+01 mv 0 51 3 0 0 c 3 0.4 0.0 - 4 e 633 363 etot -8.5955E+01 mv 1 51 40 -30 0 - 4 e 58 412 etot -8.8115E+01 mv 0 51 1 0 0 c 1 0.1 0.0 - 4 e 456 392 etot -8.4988E+01 mv 1 51 4 -107 0 - 4 e 13 420 etot -8.6369E+01 mv 0 51 2 0 0 c 2 0.0 0.0 - 4 e 441 394 etot -7.4060E+01 mv 1 51 4 -44 0 - 4 e 302 387 etot -8.6602E+01 mv 1 51 38 -79 0 - 4 e 312 400 etot -8.6678E+01 mv 1 51 2 188 0 c 2 50.3 0.3 - 4 e 319 383 etot -8.6120E+01 mv 1 51 41 74 0 - 4 e 262 395 etot -8.6448E+01 mv 1 51 4 151 0 - 4 e 361 377 etot -7.6981E+01 mv 1 51 124 49 0 - 4 e 389 388 etot -8.7215E+01 mv 1 51 38 23 0 - 4 e 75 406 etot -8.7519E+01 mv 0 51 96 0 0 c 96 0.5 0.0 - 4 e 78 419 etot -8.6449E+01 mv 0 51 4 0 0 c 4 0.6 0.0 - 4 e 422 381 etot -8.4561E+01 mv 1 51 41 82 0 - 4 e 99 407 etot -8.4502E+01 mv 0 51 179 0 0 c 179 0.6 0.0 - 4 e 332 398 etot -8.6367E+01 mv 1 51 2 -27 0 - 4 e 109 405 etot -8.3479E+01 mv 0 51 87 0 0 c 87 0.4 0.0 - 4 e 363 384 etot -7.8638E+01 mv 1 51 41 27 0 - 4 e 193 402 etot -8.5237E+01 mv 0 51 34 0 0 - 4 e 245 396 etot -8.5961E+01 mv 1 51 2 127 0 - 4 e 26 415 etot -8.7772E+01 mv 0 51 36 0 0 c 36 0.1 0.0 - 4 e 651 332 etot -8.0874E+01 mv 1 51 179 -187 0 - 4 e 354 397 etot -8.6368E+01 mv 1 51 2 7 0 - 4 e 57 417 etot -8.7381E+01 mv 0 51 41 0 0 - 4 e 46 408 etot -8.5860E+01 mv 0 51 196 0 0 c 196 0.1 0.0 - 4 e 125 401 etot -8.4651E+01 mv 0 51 17 0 0 c 17 1.2 0.0 - 4 e 134 403 etot -8.3198E+01 mv 0 51 37 0 0 c 37 1.2 0.0 - 4 e 619 390 etot -8.1838E+01 mv 1 51 38 104 0 - 4 e 14 17 etot -8.7121E+01 mv 6 52 48 59 0 c 59 0.0 0.0 - -1 e 1 3 etot 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565 326 etot -7.4881E+01 mv 1 52 124 -171 0 - 4 e 358 369 etot -8.8114E+01 mv 1 52 1 -140 0 - 4 e 328 371 etot -8.7772E+01 mv 1 52 36 -78 0 - 4 e 164 384 etot -8.6419E+01 mv 1 52 180 -13 0 - 4 e 685 343 etot -8.0085E+01 mv 1 52 168 -131 0 - 4 e 246 379 etot -8.7383E+01 mv 1 52 174 16 0 - 4 e 415 350 etot -7.7047E+01 mv 1 52 108 132 0 - 4 e 491 359 etot -8.1682E+01 mv 1 52 161 60 0 - 4 e 501 358 etot -8.8443E+01 mv 1 52 161 -24 0 - 4 e 212 385 etot -7.6155E+01 mv 1 52 180 -24 0 - 4 e 228 383 etot -8.7279E+01 mv 1 52 180 28 0 - 4 e 2 411 etot -8.9201E+01 mv 0 52 8 0 0 - 4 e 10 412 etot -8.8445E+01 mv 0 52 161 0 0 c 161 0.0 0.0 - 4 e 2 413 etot -8.8359E+01 mv 0 52 139 0 0 - 4 e 308 380 etot -7.5791E+01 mv 1 52 174 -133 0 - 4 e 95 402 etot -8.2144E+01 mv 0 52 48 0 0 - 4 e 465 367 etot -8.3297E+01 mv 1 52 1 -84 0 - 4 e 624 354 etot -8.4921E+01 mv 1 52 8 -10 0 f 102 354.7 2.9 - 4 e 11 416 etot -8.7383E+01 mv 0 52 174 0 0 - 4 e 107 403 etot -8.2376E+01 mv 0 52 74 0 0 c 74 1.3 0.0 -## N0 total= 19 close= 13 far= 0 %acc 68.4 -## N1 total= 101 close= 6 far= 1 %acc 6.9 -## N2 total= 100 close= 6 far= 0 %acc 6.0 -## N3 total= 0 close= 0 far= 0 %acc 0.0 -## N4 total= 0 close= 0 far= 0 %acc 0.0 -## N5 total= 0 close= 0 far= 0 %acc 0.0 -## N6 total= 200 close= 17 far= 1 %acc 9.0 -## N7 total= 0 close= 0 far= 0 %acc 0.0 -## N8 total= 0 close= 0 far= 0 %acc 0.0 -## N9 total= 0 close= 0 far= 0 %acc 0.0 -##N10 total= 0 close= 0 far= 0 %acc 0.0 -##N11 total= 0 close= 0 far= 0 %acc 0.0 -##N12 total= 0 close= 0 far= 0 %acc 0.0 -##N13 total= 0 close= 0 far= 0 %acc 0.0 -##N14 total= 0 close= 0 far= 0 %acc 0.0 -##N15 total= 0 close= 0 far= 0 %acc 0.0 -##N16 total= 0 close= 0 far= 0 %acc 0.0 -##N17 total= 0 close= 0 far= 0 %acc 0.0 -##N18 total= 0 close= 0 far= 0 %acc 0.0 - Time for refresh 53 0.28 - make_var : nseed= 20 ntry= 420 - Time for make trial 54 0.04 -Nonsetup time 106.62 sec, Eval/s = 65088.71 -Time for iter 54 1.73 sec, Eval/s = 69860.32 - UPDATING 420 - 4 e 333 389 etot 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etot -6.6461E+01 mv 1 53 150 -191 0 - -1 e 1 387 etot 1.3528E+20 mv 1 53 38 -187 0 - 4 e 164 377 etot -8.7772E+01 mv 1 53 36 14 0 - 4 e 294 354 etot -8.2923E+01 mv 1 53 187 -118 0 - 4 e 150 378 etot -8.7772E+01 mv 1 53 36 81 0 - 4 e 453 347 etot -8.4968E+01 mv 1 53 150 -139 0 c 150 150.6 0.5 - 4 e 239 368 etot -8.8115E+01 mv 1 53 1 -188 0 - 4 e 301 362 etot -8.8359E+01 mv 1 53 139 -50 0 - 4 e 421 359 etot -7.7791E+01 mv 1 53 133 -49 0 - 4 e 462 353 etot -7.7543E+01 mv 1 53 187 -93 0 - 4 e 173 380 etot -8.7772E+01 mv 1 53 36 -4 0 - 4 e 267 371 etot -8.5453E+01 mv 1 53 124 100 0 - 4 e 232 376 etot -8.0676E+01 mv 1 53 36 77 0 - 4 e 431 341 etot -8.0596E+01 mv 1 53 127 -58 0 - -1 e 1 399 etot 1.3528E+20 mv 1 53 183 73 0 - 4 e 107 388 etot -8.7217E+01 mv 1 53 38 -80 0 - 4 e 300 367 etot -7.3015E+01 mv 1 53 1 -124 0 - 4 e 136 386 etot -6.5120E+01 mv 1 53 38 100 0 - 4 e 255 361 etot -8.8359E+01 mv 1 53 139 73 0 - 4 e 297 375 etot -8.7839E+01 mv 1 53 124 45 0 - 4 e 329 369 etot -8.7907E+01 mv 1 53 1 134 0 - 4 e 216 381 etot -8.7383E+01 mv 1 53 174 19 0 - 4 e 69 402 etot -8.3868E+01 mv 0 53 42 0 0 - 4 e 334 373 etot -8.8097E+01 mv 1 53 124 35 0 - 4 e 160 384 etot -8.6705E+01 mv 1 53 174 -117 0 - 4 e 285 364 etot -8.8358E+01 mv 1 53 139 176 0 - 4 e 612 349 etot -7.2050E+01 mv 1 53 150 -146 0 - 4 e 2 413 etot -8.8359E+01 mv 0 53 139 0 0 - 4 e 180 383 etot -8.6704E+01 mv 1 53 174 144 0 - 4 e 360 372 etot -8.8096E+01 mv 1 53 124 55 0 - 4 e 12 414 etot -8.8115E+01 mv 0 53 1 0 0 c 1 0.0 0.0 - 4 e 734 308 etot -7.4804E+01 mv 1 53 42 -133 0 - 4 e 22 412 etot -8.4309E+01 mv 0 53 133 0 0 - 4 e 10 416 etot -8.7772E+01 mv 0 53 36 0 0 c 36 0.0 0.0 -## N0 total= 19 close= 11 far= 0 %acc 57.9 -## N1 total= 101 close= 4 far= 0 %acc 4.0 -## N2 total= 100 close= 2 far= 0 %acc 2.0 -## N3 total= 0 close= 0 far= 0 %acc 0.0 -## N4 total= 0 close= 0 far= 0 %acc 0.0 -## N5 total= 0 close= 0 far= 0 %acc 0.0 -## N6 total= 200 close= 23 far= 2 %acc 12.5 -## N7 total= 0 close= 0 far= 0 %acc 0.0 -## N8 total= 0 close= 0 far= 0 %acc 0.0 -## N9 total= 0 close= 0 far= 0 %acc 0.0 -##N10 total= 0 close= 0 far= 0 %acc 0.0 -##N11 total= 0 close= 0 far= 0 %acc 0.0 -##N12 total= 0 close= 0 far= 0 %acc 0.0 -##N13 total= 0 close= 0 far= 0 %acc 0.0 -##N14 total= 0 close= 0 far= 0 %acc 0.0 -##N15 total= 0 close= 0 far= 0 %acc 0.0 -##N16 total= 0 close= 0 far= 0 %acc 0.0 -##N17 total= 0 close= 0 far= 0 %acc 0.0 -##N18 total= 0 close= 0 far= 0 %acc 0.0 - Time for refresh 54 0.25 - make_var : nseed= 20 ntry= 420 - Time for make trial 55 0.10 -Nonsetup time 108.42 sec, Eval/s = 65134.20 -Time for iter 55 1.80 sec, Eval/s = 67827.78 - UPDATING 420 - 4 e 11 420 etot -8.7603E+01 mv 0 53 183 0 0 - 4 e 628 382 etot -6.5396E+01 mv 1 53 174 -102 0 - 4 e 83 406 etot -8.4922E+01 mv 0 53 102 0 0 c 102 0.9 0.0 - 4 e 124 404 etot -8.8680E+01 mv 0 53 67 0 0 - 4 e 243 393 etot -8.6797E+01 mv 1 53 157 36 0 - 4 e 124 408 etot -8.4333E+01 mv 0 53 119 0 0 - 4 e 284 385 etot -8.1452E+01 mv 1 53 174 94 0 - 4 e 292 395 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-8.3729E+01 mv 0 54 32 0 0 - 4 e 93 408 etot -8.5910E+01 mv 0 54 119 0 0 c 119 1.2 0.0 - 4 e 11 417 etot -8.7772E+01 mv 0 54 36 0 0 c 36 0.0 0.0 - 4 e 529 368 etot -7.7487E+01 mv 1 54 200 -169 0 - 4 e 11 416 etot -8.8115E+01 mv 0 54 1 0 0 c 1 0.0 0.0 -## N0 total= 22 close= 10 far= 0 %acc 45.5 -## N1 total= 98 close= 4 far= 0 %acc 4.1 -## N2 total= 100 close= 6 far= 1 %acc 7.0 -## N3 total= 0 close= 0 far= 0 %acc 0.0 -## N4 total= 0 close= 0 far= 0 %acc 0.0 -## N5 total= 0 close= 0 far= 0 %acc 0.0 -## N6 total= 200 close= 18 far= 1 %acc 9.5 -## N7 total= 0 close= 0 far= 0 %acc 0.0 -## N8 total= 0 close= 0 far= 0 %acc 0.0 -## N9 total= 0 close= 0 far= 0 %acc 0.0 -##N10 total= 0 close= 0 far= 0 %acc 0.0 -##N11 total= 0 close= 0 far= 0 %acc 0.0 -##N12 total= 0 close= 0 far= 0 %acc 0.0 -##N13 total= 0 close= 0 far= 0 %acc 0.0 -##N14 total= 0 close= 0 far= 0 %acc 0.0 -##N15 total= 0 close= 0 far= 0 %acc 0.0 -##N16 total= 0 close= 0 far= 0 %acc 0.0 -##N17 total= 0 close= 0 far= 0 %acc 0.0 -##N18 total= 0 close= 0 far= 0 %acc 0.0 - Time for refresh 55 0.28 - make_var : nseed= 20 ntry= 420 - Time for make trial 56 0.09 -Nonsetup time 110.22 sec, Eval/s = 65183.21 -Time for iter 56 1.80 sec, Eval/s = 68127.03 - UPDATING 420 - 4 e 588 400 etot -7.8703E+01 mv 1 54 51 -95 0 - 4 e 239 399 etot -7.7776E+01 mv 1 54 51 149 0 - 4 e 123 413 etot -8.7305E+01 mv 0 54 196 0 0 - 4 e 337 398 etot -8.6876E+01 mv 1 54 51 -108 0 - 4 e 382 375 etot -7.2130E+01 mv 1 54 49 193 0 - 4 e 406 373 etot -8.0947E+01 mv 1 54 49 -89 0 - 4 e 148 410 etot -8.4970E+01 mv 0 54 150 0 0 c 150 0.6 0.0 - 4 e 500 372 etot -7.4760E+01 mv 1 54 49 162 0 - 4 e 173 404 etot -8.3995E+01 mv 0 54 42 0 0 - 4 e 303 396 etot -8.6653E+01 mv 1 54 51 121 0 - 4 e 157 407 etot -8.5972E+01 mv 0 54 105 0 0 c 105 2.1 0.0 - -1 e 1 3 etot 1.3528E+20 mv 6 55 9 150 0 - 4 e 121 411 etot -8.7341E+01 mv 0 54 168 0 0 - 4 e 10 419 etot -8.7383E+01 mv 0 54 174 0 0 - 4 e 493 377 etot -8.2261E+01 mv 1 54 1 3 0 - 4 e 438 382 etot -8.2179E+01 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mv 1 55 132 -139 0 - 4 e 467 365 etot -8.0264E+01 mv 1 55 196 -140 0 - 4 e 240 376 etot -8.8359E+01 mv 1 55 139 120 0 - 4 e 256 384 etot -8.2017E+01 mv 1 55 1 -51 0 - 4 e 109 401 etot -8.3314E+01 mv 0 55 9 0 0 - 4 e 99 402 etot -8.4472E+01 mv 0 55 15 0 0 c 15 1.7 0.0 - 4 e 173 393 etot -8.6516E+01 mv 1 55 174 107 0 - 4 e 453 367 etot -8.5793E+01 mv 1 55 132 -156 0 - 4 e 348 382 etot -8.7850E+01 mv 1 55 1 146 0 - 4 e 183 398 etot -8.7074E+01 mv 1 55 79 -165 0 - 4 e 516 344 etot -8.0662E+01 mv 1 55 96 -56 0 - 4 e 85 403 etot -8.2979E+01 mv 0 55 19 0 0 c 19 1.2 0.0 - 4 e 2 415 etot -9.0747E+01 mv 0 55 24 0 0 - 4 e 2 416 etot -8.8359E+01 mv 0 55 139 0 0 - 4 e 98 404 etot -8.6211E+01 mv 0 55 32 0 0 c 32 1.2 0.0 - 4 e 10 417 etot -8.8115E+01 mv 0 55 1 0 0 - 4 e 2 419 etot -8.7383E+01 mv 0 55 174 0 0 -## N0 total= 21 close= 10 far= 0 %acc 47.6 -## N1 total= 99 close= 4 far= 0 %acc 4.0 -## N2 total= 100 close= 8 far= 0 %acc 8.0 -## N3 total= 0 close= 0 far= 0 %acc 0.0 -## N4 total= 0 close= 0 far= 0 %acc 0.0 -## N5 total= 0 close= 0 far= 0 %acc 0.0 -## N6 total= 200 close= 17 far= 3 %acc 10.0 -## N7 total= 0 close= 0 far= 0 %acc 0.0 -## N8 total= 0 close= 0 far= 0 %acc 0.0 -## N9 total= 0 close= 0 far= 0 %acc 0.0 -##N10 total= 0 close= 0 far= 0 %acc 0.0 -##N11 total= 0 close= 0 far= 0 %acc 0.0 -##N12 total= 0 close= 0 far= 0 %acc 0.0 -##N13 total= 0 close= 0 far= 0 %acc 0.0 -##N14 total= 0 close= 0 far= 0 %acc 0.0 -##N15 total= 0 close= 0 far= 0 %acc 0.0 -##N16 total= 0 close= 0 far= 0 %acc 0.0 -##N17 total= 0 close= 0 far= 0 %acc 0.0 -##N18 total= 0 close= 0 far= 0 %acc 0.0 - Time for refresh 56 0.29 - make_var : nseed= 20 ntry= 420 - Time for make trial 57 0.09 -Nonsetup time 112.05 sec, Eval/s = 65233.83 -Time for iter 57 1.83 sec, Eval/s = 68279.40 - UPDATING 420 - 4 e 127 409 etot -8.8647E+01 mv 0 55 96 0 0 c 96 1.2 0.0 - 4 e 80 418 etot -8.7592E+01 mv 0 55 200 0 0 c 200 0.8 0.0 - 4 e 516 373 etot -7.8901E+01 mv 1 55 24 18 0 - 4 e 96 408 etot -8.3770E+01 mv 0 55 49 0 0 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-8.7772E+01 mv 1 56 36 182 0 - 4 e 244 373 etot -7.3276E+01 mv 1 56 1 -188 0 - 4 e 453 354 etot -8.1854E+01 mv 1 56 174 9 0 - 4 e 427 358 etot -9.0745E+01 mv 1 56 24 -42 0 - 4 e 387 361 etot -7.8530E+01 mv 1 56 161 183 0 - 4 e 260 380 etot -8.8097E+01 mv 1 56 124 -17 0 - 4 e 336 369 etot -7.9698E+01 mv 1 56 139 -191 0 - 4 e 215 384 etot -7.4494E+01 mv 1 56 101 92 0 - 4 e 210 385 etot -8.8087E+01 mv 1 56 101 104 0 - 4 e 553 332 etot -7.1069E+01 mv 1 56 152 -13 0 - 4 e 681 312 etot -7.3389E+01 mv 1 56 72 -78 0 - 4 e 312 376 etot -8.7458E+01 mv 1 56 124 -62 0 - 4 e 552 331 etot -8.0927E+01 mv 1 56 152 -5 0 - 4 e 273 381 etot -8.8086E+01 mv 1 56 101 -182 0 - 4 e 295 382 etot -8.7319E+01 mv 1 56 101 199 0 - 4 e 220 388 etot -8.7772E+01 mv 1 56 36 51 0 - 4 e 74 401 etot -8.6493E+01 mv 0 56 48 0 0 c 48 0.4 0.0 - 4 e 52 407 etot -8.9052E+01 mv 0 56 152 0 0 c 152 0.6 0.0 - 4 e 256 378 etot -8.8097E+01 mv 1 56 124 2 0 - 4 e 365 377 etot -8.7838E+01 mv 1 56 124 -134 0 - 4 e 2 411 etot -8.7383E+01 mv 0 56 174 0 0 - 4 e 2 412 etot -9.0747E+01 mv 0 56 24 0 0 - 4 e 2 414 etot -8.8359E+01 mv 0 56 139 0 0 - 4 e 2 415 etot -8.8115E+01 mv 0 56 1 0 0 - 4 e 10 413 etot -8.8445E+01 mv 0 56 161 0 0 c 161 0.0 0.0 - 4 e 402 357 etot -8.0159E+01 mv 1 56 24 23 0 - 4 e 10 418 etot -8.7772E+01 mv 0 56 36 0 0 c 36 0.0 0.0 -## N0 total= 20 close= 12 far= 0 %acc 60.0 -## N1 total= 100 close= 4 far= 0 %acc 4.0 -## N2 total= 100 close= 4 far= 0 %acc 4.0 -## N3 total= 0 close= 0 far= 0 %acc 0.0 -## N4 total= 0 close= 0 far= 0 %acc 0.0 -## N5 total= 0 close= 0 far= 0 %acc 0.0 -## N6 total= 200 close= 10 far= 1 %acc 5.5 -## N7 total= 0 close= 0 far= 0 %acc 0.0 -## N8 total= 0 close= 0 far= 0 %acc 0.0 -## N9 total= 0 close= 0 far= 0 %acc 0.0 -##N10 total= 0 close= 0 far= 0 %acc 0.0 -##N11 total= 0 close= 0 far= 0 %acc 0.0 -##N12 total= 0 close= 0 far= 0 %acc 0.0 -##N13 total= 0 close= 0 far= 0 %acc 0.0 -##N14 total= 0 close= 0 far= 0 %acc 0.0 -##N15 total= 0 close= 0 far= 0 %acc 0.0 -##N16 total= 0 close= 0 far= 0 %acc 0.0 -##N17 total= 0 close= 0 far= 0 %acc 0.0 -##N18 total= 0 close= 0 far= 0 %acc 0.0 - Time for refresh 57 0.29 - make_var : nseed= 20 ntry= 420 - Time for make trial 58 0.09 -Nonsetup time 113.88 sec, Eval/s = 65265.47 -Time for iter 58 1.83 sec, Eval/s = 67204.92 - UPDATING 420 - 4 e 335 391 etot -8.1432E+01 mv 1 56 41 62 0 - 4 e 119 408 etot -8.2959E+01 mv 0 56 163 0 0 c 163 0.9 0.0 - 4 e 149 410 etot -8.3406E+01 mv 0 56 175 0 0 c 175 1.2 0.0 - 4 e 17 416 etot -8.8097E+01 mv 0 56 124 0 0 c 124 0.0 0.0 - 4 e 300 399 etot -8.7373E+01 mv 1 56 196 -190 0 - 4 e 269 389 etot -8.0103E+01 mv 1 56 36 -152 0 - 4 e 502 366 etot -8.0905E+01 mv 1 56 139 171 0 - 4 e 88 405 etot -8.6178E+01 mv 0 56 97 0 0 c 97 0.6 0.0 - 4 e 254 394 etot -8.6687E+01 mv 1 56 41 -58 0 - 4 e 70 420 etot -8.8680E+01 mv 0 56 196 0 0 c 196 0.5 0.0 - 4 e 371 390 etot -7.7819E+01 mv 1 56 36 -184 0 - 4 e 241 400 etot -8.7942E+01 mv 1 56 196 -34 0 - 4 e 197 398 etot -7.1205E+01 mv 1 56 196 182 0 - 4 e 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236 254 etot -7.0085E+01 mv 2 57 24 124 0 - 4 e 241 242 etot -6.4745E+01 mv 2 57 171 -148 0 - 4 e 320 244 etot -8.4588E+01 mv 2 57 171 -111 0 - 4 e 216 263 etot -8.2126E+01 mv 2 57 139 76 0 - 4 e 226 262 etot -8.6582E+01 mv 2 57 139 79 0 - 4 e 298 251 etot -9.0746E+01 mv 2 57 24 153 0 - 4 e 249 258 etot -8.5516E+01 mv 2 57 161 -87 0 - 4 e 237 264 etot -8.4199E+01 mv 2 57 139 -19 0 - 4 e 301 246 etot -8.0839E+01 mv 2 57 170 -68 0 - -1 e 1 287 etot 1.3528E+20 mv 2 57 174 73 0 - 4 e 152 271 etot -8.8115E+01 mv 2 57 1 7 0 - 4 e 178 269 etot -8.8680E+01 mv 2 57 196 11 0 - 4 e 357 255 etot -9.0746E+01 mv 2 57 24 52 0 - 4 e 273 267 etot -7.4429E+01 mv 2 57 196 110 0 - -1 e 1 292 etot 1.3528E+20 mv 2 57 122 -26 0 - 4 e 292 252 etot -7.5855E+01 mv 2 57 24 -42 0 - 4 e 376 261 etot -7.8293E+01 mv 2 57 139 -63 0 - 4 e 658 236 etot -8.6737E+01 mv 2 57 168 -68 0 c 193 65.8 0.5 - 4 e 205 278 etot -8.8086E+01 mv 2 57 101 120 0 - 4 e 280 259 etot -6.7187E+01 mv 2 57 161 -96 0 - 4 e 472 248 etot 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etot -7.3016E+01 mv 2 57 183 -5 0 - 4 e 791 243 etot -8.3150E+01 mv 2 57 171 -187 0 - 4 e 589 266 etot -8.0262E+01 mv 2 57 196 -86 0 - 4 e 307 293 etot -7.6800E+01 mv 2 57 122 -161 0 - 4 e 418 285 etot -8.0376E+01 mv 2 57 183 -176 0 - 4 e 493 279 etot -7.8444E+01 mv 2 57 101 -137 0 - 4 e 207 298 etot -8.7381E+01 mv 2 57 41 25 0 - 4 e 434 268 etot -8.1432E+01 mv 2 57 196 59 0 - 4 e 254 310 etot -8.5614E+01 mv 1 57 42 -31 0 - 4 e 367 300 etot -8.7380E+01 mv 2 57 41 100 0 - 4 e 287 311 etot -8.3628E+01 mv 1 57 47 -58 0 - 4 e 338 306 etot -8.5376E+01 mv 1 57 42 -84 0 - 4 e 524 289 etot -7.7565E+01 mv 2 57 174 -54 0 - 4 e 255 316 etot -8.4961E+01 mv 1 57 72 -170 0 - 4 e 338 294 etot -7.6424E+01 mv 2 57 122 28 0 - 4 e 470 277 etot -7.8400E+01 mv 2 57 101 -24 0 - 4 e 360 308 etot -8.3002E+01 mv 1 57 42 -180 0 - 4 e 199 321 etot -6.3948E+01 mv 1 57 79 -88 0 - 4 e 316 313 etot -8.1056E+01 mv 1 57 47 -16 0 - 4 e 338 301 etot -6.1718E+01 mv 1 57 21 -129 0 - 4 e 205 324 etot -8.7107E+01 mv 1 57 79 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mv 1 57 47 -197 0 - 4 e 492 323 etot -6.9685E+01 mv 1 57 79 -189 0 - 4 e 261 336 etot -8.9188E+01 mv 1 57 168 -46 0 - 4 e 303 337 etot -6.3543E+01 mv 1 57 168 -7 0 - 4 e 198 346 etot -8.2562E+01 mv 1 57 170 11 0 - 4 e 288 342 etot -6.7815E+01 mv 1 57 171 -66 0 - 4 e 315 339 etot -8.9400E+01 mv 1 57 168 -4 0 c 168 37.5 0.2 - 4 e 130 359 etot -6.9940E+01 mv 1 57 161 46 0 - 4 e 476 327 etot -7.9451E+01 mv 1 57 121 -130 0 - 4 e 686 318 etot -7.7442E+01 mv 1 57 72 -44 0 - 4 e 209 353 etot -9.0747E+01 mv 1 57 24 152 0 - 4 e 346 341 etot -7.8316E+01 mv 1 57 171 -9 0 - 4 e 379 326 etot -8.5607E+01 mv 1 57 121 -166 0 - 4 e 190 355 etot -9.0746E+01 mv 1 57 24 34 0 - 4 e 496 329 etot -8.0456E+01 mv 1 57 121 -38 0 - 4 e 265 352 etot -9.0746E+01 mv 1 57 24 148 0 - 4 e 206 360 etot -8.8445E+01 mv 1 57 161 -11 0 - 4 e 369 344 etot -8.5428E+01 mv 1 57 171 -131 0 - 4 e 312 338 etot -8.8870E+01 mv 1 57 168 -176 0 - 4 e 359 349 etot -8.1971E+01 mv 1 57 170 -67 0 - 4 e 352 351 etot -7.4031E+01 mv 1 57 24 5 0 - 4 e 379 333 etot -8.2752E+01 mv 1 57 130 -60 0 - 4 e 315 356 etot -7.2437E+01 mv 1 57 161 -25 0 - 4 e 391 334 etot -7.6466E+01 mv 1 57 130 -23 0 - 4 e 294 361 etot -7.2485E+01 mv 1 57 139 -108 0 - 4 e 172 366 etot -8.8680E+01 mv 1 57 196 124 0 - 4 e 200 358 etot -8.8445E+01 mv 1 57 161 192 0 - 4 e 370 354 etot -8.2039E+01 mv 1 57 24 87 0 - 4 e 293 350 etot -5.9712E+01 mv 1 57 170 60 0 - 4 e 222 365 etot -8.8358E+01 mv 1 57 139 99 0 - 4 e 173 370 etot -8.8680E+01 mv 1 57 196 123 0 - 4 e 613 332 etot -4.5872E+01 mv 1 57 130 -51 0 - 4 e 193 368 etot -8.8680E+01 mv 1 57 196 -37 0 - 4 e 345 345 etot -7.3899E+01 mv 1 57 171 -84 0 - 4 e 289 363 etot -8.8358E+01 mv 1 57 139 -194 0 - 4 e 677 312 etot -8.4492E+01 mv 1 57 47 -88 0 c 47 328.7 0.2 - 4 e 306 364 etot -8.8358E+01 mv 1 57 139 189 0 - 4 e 210 375 etot -8.8115E+01 mv 1 57 1 11 0 - -1 e 1 396 etot 1.3528E+20 mv 1 57 41 -55 0 - -1 e 1 397 etot 1.3528E+20 mv 1 57 41 30 0 - 4 e 267 373 etot -8.8114E+01 mv 1 57 1 87 0 - 4 e 649 343 etot -7.5104E+01 mv 1 57 171 -81 0 - 4 e 122 390 etot -8.7383E+01 mv 1 57 174 -96 0 c 174 1.1 0.0 - 4 e 598 347 etot -7.2760E+01 mv 1 57 170 -58 0 - 4 e 303 372 etot -7.5922E+01 mv 1 57 1 31 0 - 4 e 196 379 etot -8.6656E+01 mv 1 57 101 -126 0 - 4 e 495 357 etot -8.2792E+01 mv 1 57 161 179 0 - 4 e 258 376 etot -8.4087E+01 mv 1 57 101 -162 0 c 118 256.3 1.5 - 4 e 186 386 etot -7.8690E+01 mv 1 57 174 -198 0 - 4 e 217 383 etot -8.6615E+01 mv 1 57 183 -95 0 - 4 e 81 402 etot -8.5377E+01 mv 0 57 42 0 0 - 4 e 393 374 etot -8.2263E+01 mv 1 57 1 163 0 - 4 e 121 401 etot -8.5354E+01 mv 0 57 21 0 0 c 21 0.6 0.0 - 4 e 428 369 etot -8.8678E+01 mv 1 57 196 -71 0 - 4 e 2 411 etot -9.0747E+01 mv 0 57 24 0 0 - 4 e 2 413 etot -8.8359E+01 mv 0 57 139 0 0 - 4 e 2 412 etot -8.8445E+01 mv 0 57 161 0 0 - 4 e 2 415 etot -8.8115E+01 mv 0 57 1 0 0 - 4 e 553 362 etot -8.8357E+01 mv 1 57 139 134 0 - 4 e 217 380 etot -8.7681E+01 mv 1 57 101 -189 0 - 4 e 128 404 etot -8.5518E+01 mv 0 57 72 0 0 c 72 1.7 0.0 - 4 e 111 406 etot -8.4101E+01 mv 0 57 121 0 0 c 121 1.9 0.0 -## N0 total= 20 close= 13 far= 0 %acc 65.0 -## N1 total= 100 close= 7 far= 0 %acc 7.0 -## N2 total= 100 close= 9 far= 1 %acc 10.0 -## N3 total= 0 close= 0 far= 0 %acc 0.0 -## N4 total= 0 close= 0 far= 0 %acc 0.0 -## N5 total= 0 close= 0 far= 0 %acc 0.0 -## N6 total= 200 close= 16 far= 1 %acc 8.5 -## N7 total= 0 close= 0 far= 0 %acc 0.0 -## N8 total= 0 close= 0 far= 0 %acc 0.0 -## N9 total= 0 close= 0 far= 0 %acc 0.0 -##N10 total= 0 close= 0 far= 0 %acc 0.0 -##N11 total= 0 close= 0 far= 0 %acc 0.0 -##N12 total= 0 close= 0 far= 0 %acc 0.0 -##N13 total= 0 close= 0 far= 0 %acc 0.0 -##N14 total= 0 close= 0 far= 0 %acc 0.0 -##N15 total= 0 close= 0 far= 0 %acc 0.0 -##N16 total= 0 close= 0 far= 0 %acc 0.0 -##N17 total= 0 close= 0 far= 0 %acc 0.0 -##N18 total= 0 close= 0 far= 0 %acc 0.0 - Time for refresh 58 0.27 - make_var : nseed= 20 ntry= 420 - Time for make trial 59 0.09 -Nonsetup time 115.61 sec, Eval/s = 65313.43 -Time for iter 59 1.73 sec, Eval/s = 68477.10 - UPDATING 420 - 4 e 520 367 etot -7.5196E+01 mv 1 57 196 -29 0 - 4 e 139 409 etot -8.5429E+01 mv 0 57 171 0 0 c 171 0.4 0.0 - 4 e 67 410 etot -8.2563E+01 mv 0 57 170 0 0 - 4 e 378 378 etot -8.8086E+01 mv 1 57 101 -113 0 - 4 e 356 389 etot -8.4630E+01 mv 1 57 174 -80 0 - 4 e 434 388 etot -8.0745E+01 mv 1 57 174 -23 0 - 4 e 574 399 etot -8.2182E+01 mv 1 57 41 -128 0 - 4 e 287 393 etot -8.8050E+01 mv 1 57 122 -4 0 - 4 e 226 395 etot -8.8050E+01 mv 1 57 122 115 0 - 4 e 10 417 etot -8.7603E+01 mv 0 57 183 0 0 c 183 0.0 0.0 - 4 e 118 407 etot -8.4843E+01 mv 0 57 130 0 0 - 4 e 662 398 etot -8.7379E+01 mv 1 57 41 49 0 - 4 e 333 381 etot -7.5189E+01 mv 1 57 183 -30 0 - 4 e 124 405 etot -8.7107E+01 mv 0 57 79 0 0 c 79 1.5 0.0 - 4 e 79 419 etot -8.8051E+01 mv 0 57 122 0 0 c 122 0.4 0.0 - 4 e 107 408 etot -8.9188E+01 mv 0 57 168 0 0 - 4 e 439 391 etot -8.9526E+01 mv 1 57 122 133 0 - 4 e 579 384 etot -7.3509E+01 mv 1 57 183 -76 0 - 4 e 88 414 etot -8.8680E+01 mv 0 57 196 0 0 c 196 0.2 0.0 - 4 e 214 400 etot -8.7380E+01 mv 1 57 41 196 0 - 4 e 13 420 etot -8.7381E+01 mv 0 57 41 0 0 - 4 e 166 403 etot -8.4326E+01 mv 0 57 47 0 0 - 4 e 10 416 etot -8.8087E+01 mv 0 57 101 0 0 - 4 e 254 377 etot -8.6656E+01 mv 1 57 101 -126 0 - 4 e 509 385 etot -8.2659E+01 mv 1 57 183 50 0 - 4 e 406 392 etot -8.8048E+01 mv 1 57 122 111 0 - 4 e 373 394 etot -7.3377E+01 mv 1 57 122 -12 0 - 4 e 2 418 etot -8.7383E+01 mv 0 57 174 0 0 - 4 e 342 371 etot -8.8113E+01 mv 1 57 1 33 0 - 4 e 527 387 etot -8.6593E+01 mv 1 57 174 189 0 - 4 e 555 382 etot -7.3371E+01 mv 1 57 183 -57 0 - -1 e 1 30 etot 1.3528E+20 mv 6 58 43 96 0 - 4 e 165 29 etot -6.8789E+01 mv 6 58 43 199 0 - 4 e 155 19 etot -7.1456E+01 mv 6 58 42 10 0 - 4 e 174 22 etot -6.8556E+01 mv 6 58 43 110 0 - 4 e 176 12 etot -8.5643E+01 mv 6 58 42 48 0 c 42 3.0 0.0 - 4 e 181 26 etot -7.8331E+01 mv 6 58 43 190 0 - 4 e 217 5 etot -8.3855E+01 mv 6 58 26 160 0 - 4 e 211 20 etot -8.5643E+01 mv 6 58 42 174 0 - 4 e 212 17 etot -8.5643E+01 mv 6 58 42 12 0 - 4 e 236 7 etot -8.6177E+01 mv 6 58 26 27 0 c 26 3.0 0.0 - 4 e 220 13 etot -8.7139E+01 mv 6 58 42 174 0 c 97 3.2 0.0 - 4 e 237 6 etot -8.8445E+01 mv 6 58 26 147 0 - 4 e 247 11 etot -7.1190E+01 mv 6 58 42 199 0 - 4 e 251 8 etot -7.9550E+01 mv 6 58 26 98 0 - 4 e 280 4 etot -7.9128E+01 mv 6 58 26 73 0 - 4 e 293 14 etot -8.5777E+01 mv 6 58 42 130 0 - 4 e 279 2 etot -6.9220E+01 mv 6 58 26 73 0 - -1 e 1 48 etot 1.3528E+20 mv 6 58 74 118 0 - 4 e 276 21 etot -8.3927E+01 mv 6 58 43 143 0 c 43 6.1 0.0 - 4 e 291 1 etot -8.0550E+01 mv 6 58 26 3 0 - 4 e 311 10 etot -8.4574E+01 mv 6 58 26 29 0 c 29 33.1 0.0 - 4 e 326 23 etot -8.4576E+01 mv 6 58 43 38 0 c 43 252.6 0.6 - 4 e 305 27 etot -8.7939E+01 mv 6 58 43 1 0 - 4 e 359 9 etot -7.6036E+01 mv 6 58 26 32 0 - -1 e 1 55 etot 5.6540E+36 mv 6 58 95 76 0 - 4 e 348 3 etot -8.6797E+01 mv 6 58 26 157 0 - 4 e 407 32 etot -8.5918E+01 mv 6 58 47 133 0 c 47 71.9 1.4 - 4 e 358 25 etot -8.8202E+01 mv 6 58 43 85 0 - 4 e 416 31 etot -7.6698E+01 mv 6 58 47 106 0 - 4 e 291 43 etot -7.9226E+01 mv 6 58 74 123 0 - 4 e 162 49 etot -6.8993E+01 mv 6 58 74 169 0 - 4 e 441 16 etot -8.4752E+01 mv 6 58 42 71 0 - 4 e 305 34 etot -8.3945E+01 mv 6 58 47 69 0 - 4 e 226 42 etot -8.5080E+01 mv 6 58 74 109 0 - 4 e 298 40 etot -8.4435E+01 mv 6 58 47 143 0 - -1 e 1 66 etot 1.3528E+20 mv 6 58 97 29 0 - -1 e 1 67 etot 1.7630E+20 mv 6 58 97 173 0 - 4 e 300 36 etot -7.9886E+01 mv 6 58 47 172 0 - 4 e 260 45 etot -7.2785E+01 mv 6 58 74 191 0 - 4 e 529 28 etot -8.1805E+01 mv 6 58 43 130 0 - -1 e 1 71 etot 1.3528E+20 mv 6 58 101 143 0 - 4 e 282 44 etot -8.3705E+01 mv 6 58 74 100 0 c 74 220.5 1.1 - 4 e 453 38 etot -8.1465E+01 mv 6 58 47 96 0 - 4 e 478 24 etot -7.9720E+01 mv 6 58 43 132 0 - 4 e 598 18 etot -7.9930E+01 mv 6 58 42 182 0 - 4 e 557 15 etot -8.2866E+01 mv 6 58 42 88 0 - 4 e 250 51 etot -7.8790E+01 mv 6 58 95 180 0 - 4 e 12 78 etot -8.6976E+01 mv 6 58 101 162 0 c 162 0.0 0.0 - 4 e 328 37 etot -8.1818E+01 mv 6 58 47 109 0 - -1 e 1 80 etot 4.6226E+22 mv 6 58 101 16 0 - 4 e 384 35 etot -7.8668E+01 mv 6 58 47 166 0 - 4 e 249 57 etot -8.4185E+01 mv 6 58 95 86 0 - 4 e 61 79 etot -8.6327E+01 mv 6 58 101 197 0 c 197 0.3 0.0 - 4 e 488 46 etot -8.1240E+01 mv 6 58 74 42 0 - 4 e 366 39 etot -7.7945E+01 mv 6 58 47 175 0 - 4 e 217 58 etot -8.4327E+01 mv 6 58 95 14 0 - 4 e 286 56 etot -8.4152E+01 mv 6 58 95 150 0 - 4 e 437 47 etot -7.9241E+01 mv 6 58 74 16 0 - 4 e 310 54 etot -8.3160E+01 mv 6 58 95 122 0 - 4 e 318 62 etot -8.8202E+01 mv 6 58 97 44 0 - 4 e 307 68 etot -7.4058E+01 mv 6 58 97 69 0 - 4 e 691 41 etot -7.6894E+01 mv 6 58 74 164 0 - 4 e 184 73 etot -8.8207E+01 mv 6 58 101 30 0 c 101 2.2 0.0 - 4 e 414 64 etot -7.2829E+01 mv 6 58 97 174 0 - 4 e 496 50 etot -8.3524E+01 mv 6 58 74 82 0 f 33 412.2 1.0 - 4 e 460 61 etot -7.9063E+01 mv 6 58 97 92 0 - -1 e 1 97 etot 1.3528E+20 mv 6 58 130 184 0 - 4 e 423 52 etot -8.5651E+01 mv 6 58 95 100 0 - 4 e 606 33 etot -8.3085E+01 mv 6 58 47 175 0 - 4 e 366 65 etot -7.2926E+01 mv 6 58 97 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4 e 297 89 etot -8.4656E+01 mv 6 58 118 153 0 c 118 119.3 0.6 - 4 e 515 69 etot -7.8179E+01 mv 6 58 97 60 0 - 4 e 35 119 etot -9.1042E+01 mv 6 58 168 117 0 c 117 0.1 0.0 - 4 e 450 59 etot -7.4348E+01 mv 6 58 95 200 0 - -1 e 1 124 etot 1.3528E+20 mv 6 58 170 169 0 - 4 e 205 102 etot -8.6309E+01 mv 6 58 140 80 0 - 4 e 511 60 etot -8.1760E+01 mv 6 58 95 26 0 - 4 e 509 77 etot -8.7536E+01 mv 6 58 101 35 0 - 4 e 377 88 etot -8.4086E+01 mv 6 58 118 81 0 - 4 e 400 72 etot -8.2150E+01 mv 6 58 101 38 0 - -1 e 1 130 etot 1.3528E+20 mv 6 58 170 60 0 - 4 e 256 90 etot -7.7092E+01 mv 6 58 118 18 0 - 4 e 399 93 etot -8.1772E+01 mv 6 58 130 108 0 - -1 e 1 134 etot 1.3528E+20 mv 6 58 193 176 0 - -1 e 1 135 etot 1.3528E+20 mv 6 58 193 137 0 - 4 e 398 91 etot -7.9027E+01 mv 6 58 130 88 0 - 4 e 373 81 etot -8.3197E+01 mv 6 58 118 37 0 - -1 e 1 138 etot 1.3528E+20 mv 6 58 193 145 0 - 4 e 403 94 etot -8.3812E+01 mv 6 58 130 66 0 - 4 e 345 101 etot -8.6309E+01 mv 6 58 140 78 0 - 4 e 266 113 etot -8.9400E+01 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- 4 e 296 371 etot -8.2302E+01 mv 1 58 185 25 0 - 4 e 269 375 etot -8.2588E+01 mv 1 58 185 -4 0 - 4 e 277 379 etot -9.0745E+01 mv 1 58 3 104 0 - 4 e 303 377 etot -8.2607E+01 mv 1 58 3 34 0 - 4 e 200 390 etot -8.8115E+01 mv 1 58 1 131 0 - 4 e 609 347 etot -7.4125E+01 mv 1 58 130 -181 0 - 4 e 113 402 etot -8.5643E+01 mv 0 58 42 0 0 c 42 0.8 0.0 - 4 e 347 374 etot -7.7118E+01 mv 1 58 185 -109 0 - 4 e 336 358 etot -8.9400E+01 mv 1 58 168 -101 0 - 4 e 218 391 etot -8.7293E+01 mv 1 58 124 -82 0 - 4 e 314 383 etot -8.5169E+01 mv 1 58 139 -86 0 - 4 e 109 407 etot -8.7140E+01 mv 0 58 97 0 0 c 97 1.0 0.0 - 4 e 2 417 etot -8.8359E+01 mv 0 58 139 0 0 - 4 e 16 415 etot -8.2589E+01 mv 0 58 185 0 0 c 185 0.0 0.0 -## N0 total= 16 close= 8 far= 0 %acc 50.0 -## N1 total= 104 close= 4 far= 0 %acc 3.8 -## N2 total= 100 close= 5 far= 0 %acc 5.0 -## N3 total= 0 close= 0 far= 0 %acc 0.0 -## N4 total= 0 close= 0 far= 0 %acc 0.0 -## N5 total= 0 close= 0 far= 0 %acc 0.0 -## N6 total= 200 close= 24 far= 2 %acc 13.0 -## N7 total= 0 close= 0 far= 0 %acc 0.0 -## N8 total= 0 close= 0 far= 0 %acc 0.0 -## N9 total= 0 close= 0 far= 0 %acc 0.0 -##N10 total= 0 close= 0 far= 0 %acc 0.0 -##N11 total= 0 close= 0 far= 0 %acc 0.0 -##N12 total= 0 close= 0 far= 0 %acc 0.0 -##N13 total= 0 close= 0 far= 0 %acc 0.0 -##N14 total= 0 close= 0 far= 0 %acc 0.0 -##N15 total= 0 close= 0 far= 0 %acc 0.0 -##N16 total= 0 close= 0 far= 0 %acc 0.0 -##N17 total= 0 close= 0 far= 0 %acc 0.0 -##N18 total= 0 close= 0 far= 0 %acc 0.0 - Time for refresh 59 0.28 - make_var : nseed= 20 ntry= 420 - Time for make trial 60 0.09 -Nonsetup time 117.46 sec, Eval/s = 65370.53 -Time for iter 60 1.85 sec, Eval/s = 68943.02 - UPDATING 420 - 4 e 163 405 etot -8.2621E+01 mv 0 58 74 0 0 - 4 e 98 410 etot -8.5563E+01 mv 0 58 130 0 0 c 130 1.2 0.0 - 4 e 311 397 etot -8.0387E+01 mv 1 58 183 85 0 - 4 e 106 408 etot -8.8207E+01 mv 0 58 101 0 0 c 101 0.7 0.0 - 4 e 453 384 etot -8.2272E+01 mv 1 58 139 -156 0 - 4 e 319 386 etot -8.7735E+01 mv 1 58 1 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mv 1 59 74 -32 0 - 4 e 345 332 etot -8.3604E+01 mv 1 59 74 -136 0 - 4 e 479 321 etot -8.6177E+01 mv 1 59 47 -112 0 - 4 e 523 319 etot -8.2957E+01 mv 1 59 43 -126 0 - 4 e 407 313 etot -8.3526E+01 mv 1 59 33 -46 0 - 4 e 585 317 etot -8.2882E+01 mv 1 59 43 -64 0 - 4 e 479 323 etot -7.0354E+01 mv 1 59 47 -117 0 - 4 e 213 346 etot -8.4657E+01 mv 1 59 118 -104 0 - 4 e 240 336 etot -8.8026E+01 mv 1 59 88 -67 0 c 88 2.4 0.0 - 4 e 416 333 etot -6.4742E+01 mv 1 59 74 -97 0 - 4 e 481 327 etot -7.4629E+01 mv 1 59 55 -64 0 - 4 e 527 326 etot -7.8079E+01 mv 1 59 55 -108 0 - 4 e 247 340 etot -8.8025E+01 mv 1 59 88 -52 0 - 4 e 373 341 etot -8.2430E+01 mv 1 59 111 -117 0 - 4 e 572 324 etot -8.0237E+01 mv 1 59 47 -60 0 - 4 e 174 349 etot -8.4658E+01 mv 1 59 118 -182 0 - 4 e 564 302 etot -8.0335E+01 mv 1 59 7 -137 0 - 4 e 174 356 etot -8.3298E+01 mv 1 59 170 -93 0 c 170 2.4 0.0 - 4 e 382 329 etot -7.4775E+01 mv 1 59 55 -132 0 - 4 e 355 343 etot -8.3424E+01 mv 1 59 111 -83 0 - 4 e 196 355 etot -8.6009E+01 mv 1 59 140 -127 0 - 4 e 553 334 etot -8.3492E+01 mv 1 59 74 -67 0 - 4 e 320 337 etot -7.5121E+01 mv 1 59 88 -6 0 - 4 e 446 339 etot -7.2420E+01 mv 1 59 88 -19 0 - 4 e 246 350 etot -7.3042E+01 mv 1 59 118 -134 0 - 4 e 247 357 etot -6.5164E+01 mv 1 59 170 -61 0 - 4 e 399 344 etot -8.2528E+01 mv 1 59 111 -65 0 - 4 e 127 368 etot -8.7008E+01 mv 1 59 90 126 0 - 4 e 302 352 etot -8.4242E+01 mv 1 59 140 -111 0 - 4 e 154 370 etot -8.7008E+01 mv 1 59 90 15 0 - 4 e 264 360 etot -8.3298E+01 mv 1 59 170 -185 0 - 4 e 706 297 etot -8.2023E+01 mv 2 59 124 -30 0 - 4 e 218 366 etot -8.7008E+01 mv 1 59 90 183 0 - 4 e 165 367 etot -8.2674E+01 mv 1 59 90 57 0 - 4 e 275 365 etot -8.6265E+01 mv 1 59 193 -119 0 - 4 e 309 362 etot -6.4924E+01 mv 1 59 193 -5 0 - 4 e 501 347 etot -6.5453E+01 mv 1 59 118 -111 0 - 4 e 487 348 etot -8.0324E+01 mv 1 59 118 -126 0 - 4 e 252 369 etot -7.5628E+01 mv 1 59 90 -188 0 - 4 e 350 361 etot -7.4624E+01 mv 1 59 193 -122 0 - 4 e 207 375 etot -9.0747E+01 mv 1 59 24 62 0 - 4 e 150 377 etot -7.6598E+01 mv 1 59 3 82 0 - 4 e 597 345 etot -7.5568E+01 mv 1 59 111 -25 0 - 4 e 650 342 etot -7.9194E+01 mv 1 59 111 -184 0 - 4 e 257 376 etot -9.0745E+01 mv 1 59 3 50 0 - 4 e 402 364 etot -7.4622E+01 mv 1 59 193 -191 0 - 4 e 305 372 etot -9.0761E+01 mv 1 59 24 -176 0 c 24 90.2 0.0 - 4 e 112 390 etot -8.9606E+01 mv 1 59 84 -8 0 - 4 e 285 363 etot -7.4624E+01 mv 1 59 193 -179 0 - 4 e 262 380 etot -9.0745E+01 mv 1 59 3 -32 0 - 4 e 325 374 etot -6.9019E+01 mv 1 59 24 165 0 - 4 e 324 379 etot -9.0744E+01 mv 1 59 3 90 0 - 4 e 545 358 etot -8.3296E+01 mv 1 59 170 -147 0 - 4 e 300 382 etot -8.8687E+01 mv 1 59 161 133 0 c 161 34.5 0.2 - 4 e 335 381 etot -7.4088E+01 mv 1 59 161 -176 0 - 4 e 157 388 etot -8.9605E+01 mv 1 59 84 -68 0 - 4 e 296 373 etot -9.0746E+01 mv 1 59 24 -107 0 - 4 e 119 402 etot -8.4576E+01 mv 0 59 29 0 0 c 29 1.0 0.0 - 4 e 182 386 etot -8.9605E+01 mv 1 59 84 186 0 - 4 e 401 378 etot -8.5326E+01 mv 1 59 3 -46 0 - 4 e 116 405 etot -8.5919E+01 mv 0 59 47 0 0 - 4 e 250 392 etot -7.6625E+01 mv 1 59 1 177 0 - 4 e 2 415 etot -9.0747E+01 mv 0 59 24 0 0 - 4 e 330 371 etot -7.8901E+01 mv 1 59 24 15 0 - 4 e 10 414 etot -8.7008E+01 mv 0 59 90 0 0 c 90 0.0 0.0 - 4 e 2 417 etot -8.8445E+01 mv 0 59 161 0 0 -## N0 total= 21 close= 9 far= 0 %acc 42.9 -## N1 total= 99 close= 8 far= 0 %acc 8.1 -## N2 total= 100 close= 4 far= 0 %acc 4.0 -## N3 total= 0 close= 0 far= 0 %acc 0.0 -## N4 total= 0 close= 0 far= 0 %acc 0.0 -## N5 total= 0 close= 0 far= 0 %acc 0.0 -## N6 total= 200 close= 19 far= 0 %acc 9.5 -## N7 total= 0 close= 0 far= 0 %acc 0.0 -## N8 total= 0 close= 0 far= 0 %acc 0.0 -## N9 total= 0 close= 0 far= 0 %acc 0.0 -##N10 total= 0 close= 0 far= 0 %acc 0.0 -##N11 total= 0 close= 0 far= 0 %acc 0.0 -##N12 total= 0 close= 0 far= 0 %acc 0.0 -##N13 total= 0 close= 0 far= 0 %acc 0.0 -##N14 total= 0 close= 0 far= 0 %acc 0.0 -##N15 total= 0 close= 0 far= 0 %acc 0.0 -##N16 total= 0 close= 0 far= 0 %acc 0.0 -##N17 total= 0 close= 0 far= 0 %acc 0.0 -##N18 total= 0 close= 0 far= 0 %acc 0.0 - Time for refresh 60 0.34 - make_var : nseed= 20 ntry= 420 - Time for make trial 61 0.07 -Nonsetup time 119.33 sec, Eval/s = 65386.45 -Time for iter 61 1.87 sec, Eval/s = 66386.30 - UPDATING 420 - 4 e 164 401 etot -8.3598E+01 mv 0 59 7 0 0 - 4 e 262 398 etot -8.8097E+01 mv 1 59 124 119 0 - 4 e 662 383 etot -8.8443E+01 mv 1 59 161 -99 0 - 4 e 417 391 etot -8.8113E+01 mv 1 59 1 -79 0 - 4 e 10 420 etot -8.8097E+01 mv 0 59 124 0 0 - 4 e 141 412 etot -8.3298E+01 mv 0 59 170 0 0 - 4 e 401 384 etot -7.9757E+01 mv 1 59 161 23 0 - 4 e 296 399 etot -8.8096E+01 mv 1 59 124 32 0 - 4 e 17 416 etot -9.0746E+01 mv 0 59 3 0 0 - 4 e 295 395 etot -8.6947E+01 mv 1 59 1 -30 0 - -1 e 1 2 etot 1.3528E+20 mv 6 60 7 187 0 - 4 e 270 397 etot -8.8097E+01 mv 1 59 124 -7 0 - 4 e 122 408 etot -8.8026E+01 mv 0 59 88 0 0 c 88 2.1 0.0 - 4 e 2 419 etot -8.8115E+01 mv 0 59 1 0 0 - 4 e 148 404 etot -8.4578E+01 mv 0 59 43 0 0 - 4 e 548 387 etot -8.2341E+01 mv 1 59 84 195 0 - 4 e 159 406 etot -8.5343E+01 mv 0 59 55 0 0 c 55 1.4 0.0 - 4 e 239 400 etot -8.8097E+01 mv 1 59 124 54 0 - 4 e 126 407 etot -8.3706E+01 mv 0 59 74 0 0 - 4 e 450 385 etot -8.5823E+01 mv 1 59 161 39 0 - 4 e 471 389 etot -8.1593E+01 mv 1 59 84 -9 0 - 4 e 220 409 etot -8.2636E+01 mv 0 59 111 0 0 - 4 e 386 394 etot -8.0411E+01 mv 1 59 1 -190 0 - 4 e 602 393 etot -8.8113E+01 mv 1 59 1 9 0 - 4 e 138 413 etot -8.6780E+01 mv 0 59 193 0 0 - 4 e 528 354 etot -7.2392E+01 mv 1 59 140 -121 0 - 4 e 447 396 etot -7.9501E+01 mv 1 59 124 -140 0 - 4 e 74 411 etot -8.6692E+01 mv 0 59 140 0 0 c 140 0.4 0.0 - -1 e 1 22 etot 1.3528E+20 mv 6 60 24 121 0 - 4 e 549 359 etot -8.3297E+01 mv 1 59 170 -199 0 - 4 e 126 410 etot -8.4658E+01 mv 0 59 118 0 0 - 4 e 135 403 etot -8.3527E+01 mv 0 59 33 0 0 c 33 1.2 0.0 - -1 e 1 25 etot 1.3528E+20 mv 6 60 24 111 0 - 4 e 26 418 etot -8.9606E+01 mv 0 59 84 0 0 c 84 0.0 0.0 - -1 e 1 31 etot 1.3528E+20 mv 6 60 25 109 0 - -1 e 1 33 etot 8.1272E+20 mv 6 60 25 189 0 - 4 e 97 13 etot -8.5972E+01 mv 6 60 14 105 0 c 105 0.2 0.0 - -1 e 1 37 etot 1.3528E+20 mv 6 60 25 104 0 - 4 e 135 26 etot -7.8293E+01 mv 6 60 24 199 0 - 4 e 178 30 etot -9.0761E+01 mv 6 60 24 50 0 c 24 1.8 0.0 - 4 e 223 27 etot -9.0761E+01 mv 6 60 24 71 0 - 4 e 240 10 etot -7.2882E+01 mv 6 60 7 157 0 - 4 e 226 24 etot -9.0436E+01 mv 6 60 24 145 0 - 4 e 294 4 etot -8.3597E+01 mv 6 60 7 199 0 - 4 e 311 5 etot -8.3227E+01 mv 6 60 7 52 0 - 4 e 251 1 etot -8.3597E+01 mv 6 60 7 35 0 - 4 e 259 9 etot -7.8347E+01 mv 6 60 7 164 0 - 4 e 260 20 etot -8.4709E+01 mv 6 60 14 35 0 c 14 1.9 0.0 - 4 e 344 7 etot -8.6975E+01 mv 6 60 7 162 0 - 4 e 309 8 etot -7.9727E+01 mv 6 60 7 164 0 - 4 e 312 36 etot -8.4810E+01 mv 6 60 25 83 0 - 4 e 329 34 etot -8.6779E+01 mv 6 60 25 156 0 - 4 e 351 14 etot -7.6252E+01 mv 6 60 14 43 0 - 4 e 296 23 etot -9.0760E+01 mv 6 60 24 164 0 - 4 e 188 40 etot -7.2997E+01 mv 6 60 25 177 0 - 4 e 275 38 etot -8.7279E+01 mv 6 60 25 91 0 c 25 4.6 0.0 - 4 e 152 41 etot -7.1926E+01 mv 6 60 37 124 0 - 4 e 383 28 etot -7.1263E+01 mv 6 60 24 126 0 - 4 e 382 35 etot -8.4357E+01 mv 6 60 25 116 0 - 4 e 398 15 etot -8.3734E+01 mv 6 60 14 80 0 - 4 e 378 12 etot -8.3524E+01 mv 6 60 14 109 0 - 4 e 401 17 etot -8.5223E+01 mv 6 60 14 75 0 c 14 196.5 0.5 - 4 e 282 39 etot -8.6208E+01 mv 6 60 25 83 0 - 4 e 406 21 etot -8.1204E+01 mv 6 60 24 112 0 - -1 e 1 64 etot 1.3528E+20 mv 6 60 47 85 0 - -1 e 1 65 etot 1.3528E+20 mv 6 60 47 189 0 - 4 e 430 32 etot -7.6225E+01 mv 6 60 25 189 0 - 4 e 248 44 etot -8.5724E+01 mv 6 60 37 28 0 c 37 32.1 0.2 - 4 e 602 6 etot -8.2319E+01 mv 6 60 7 113 0 - 4 e 459 11 etot -8.2798E+01 mv 6 60 14 6 0 - 4 e 467 18 etot -8.2412E+01 mv 6 60 14 21 0 - 4 e 456 3 etot -8.5636E+01 mv 6 60 7 157 0 - 4 e 489 19 etot -8.4365E+01 mv 6 60 14 187 0 - 4 e 506 16 etot -8.0928E+01 mv 6 60 14 145 0 - 4 e 298 43 etot -7.5758E+01 mv 6 60 37 24 0 - 4 e 443 45 etot -7.9683E+01 mv 6 60 37 120 0 - 4 e 408 49 etot -8.3801E+01 mv 6 60 37 101 0 - 4 e 180 61 etot -8.1647E+01 mv 6 60 47 91 0 - 4 e 591 29 etot -8.1488E+01 mv 6 60 24 140 0 - 4 e 290 50 etot -8.5570E+01 mv 6 60 37 115 0 - 4 e 280 54 etot -8.4859E+01 mv 6 60 43 2 0 c 43 3.0 0.0 - 4 e 347 47 etot -7.4542E+01 mv 6 60 37 168 0 - 4 e 201 62 etot -8.0588E+01 mv 6 60 47 137 0 - 4 e 308 53 etot -8.2982E+01 mv 6 60 43 194 0 - 4 e 232 66 etot -6.5731E+01 mv 6 60 47 157 0 - 4 e 315 51 etot -8.3934E+01 mv 6 60 43 184 0 - 4 e 321 56 etot -7.4555E+01 mv 6 60 43 7 0 - -1 e 1 87 etot 1.3528E+20 mv 6 60 110 148 0 - 4 e 324 52 etot -7.5773E+01 mv 6 60 43 169 0 - -1 e 1 88 etot 1.3528E+20 mv 6 60 110 184 0 - -1 e 1 90 etot 1.3528E+20 mv 6 60 110 129 0 - 4 e 280 59 etot -7.6034E+01 mv 6 60 43 148 0 - 4 e 393 48 etot -7.9932E+01 mv 6 60 37 112 0 - 4 e 53 83 etot -8.6014E+01 mv 6 60 110 61 0 c 61 0.2 0.0 - -1 e 1 93 etot 1.3528E+20 mv 6 60 111 191 0 - 4 e 317 70 etot -8.6520E+01 mv 6 60 47 89 0 - 4 e 470 42 etot -8.3930E+01 mv 6 60 37 25 0 - 4 e 390 60 etot -7.2115E+01 mv 6 60 43 130 0 - 4 e 437 68 etot -8.1219E+01 mv 6 60 47 82 0 - 4 e 319 74 etot -8.5533E+01 mv 6 60 74 187 0 - 4 e 196 85 etot -7.1413E+01 mv 6 60 110 115 0 - 4 e 459 69 etot -7.4929E+01 mv 6 60 47 138 0 - 4 e 224 81 etot -8.1827E+01 mv 6 60 110 33 0 - 4 e 314 76 etot -7.9586E+01 mv 6 60 74 88 0 - 4 e 258 78 etot -8.3723E+01 mv 6 60 74 97 0 c 74 1.6 0.0 - -1 e 1 105 etot 1.3528E+20 mv 6 60 113 121 0 - -1 e 1 106 etot 1.3528E+20 mv 6 60 113 110 0 - 4 e 194 91 etot -8.4508E+01 mv 6 60 111 109 0 c 111 39.5 1.0 - 4 e 314 77 etot -8.3262E+01 mv 6 60 74 81 0 - 4 e 656 46 etot -7.7018E+01 mv 6 60 37 31 0 - 4 e 402 57 etot -8.3933E+01 mv 6 60 43 64 0 - 4 e 348 73 etot -8.1749E+01 mv 6 60 74 55 0 - 4 e 312 80 etot -8.2502E+01 mv 6 60 74 61 0 - 4 e 325 84 etot -7.2448E+01 mv 6 60 110 126 0 - 4 e 429 75 etot -8.1225E+01 mv 6 60 74 198 0 - 4 e 120 104 etot -7.3513E+01 mv 6 60 113 17 0 - 4 e 426 63 etot -7.7672E+01 mv 6 60 47 37 0 - 4 e 549 72 etot -9.1281E+01 mv 6 60 74 185 0 c 117 69.3 0.2 - 4 e 153 102 etot -8.3243E+01 mv 6 60 113 3 0 - 4 e 416 79 etot -8.4608E+01 mv 6 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6 60 161 129 0 - 4 e 215 125 etot -8.8687E+01 mv 6 60 161 51 0 - 4 e 240 137 etot -8.3770E+01 mv 6 60 193 49 0 - 4 e 562 103 etot -8.0557E+01 mv 6 60 113 69 0 - -1 e 1 162 etot 1.0733E+22 mv 6 60 84 98 0 - 4 e 219 131 etot -8.4950E+01 mv 6 60 193 102 0 f 103 369.8 2.4 - 4 e 265 138 etot -8.5547E+01 mv 6 60 193 73 0 - 4 e 356 133 etot -8.7279E+01 mv 6 60 193 6 0 - 4 e 488 118 etot -7.9456E+01 mv 6 60 118 174 0 - 4 e 315 117 etot -8.4657E+01 mv 6 60 118 153 0 - 4 e 601 112 etot -7.6033E+01 mv 6 60 118 177 0 - 4 e 235 145 etot -7.9589E+01 mv 6 60 34 155 0 - 4 e 280 152 etot -8.4502E+01 mv 6 60 3 179 0 - 4 e 278 156 etot -8.2301E+01 mv 6 60 3 155 0 - 4 e 381 143 etot -8.0365E+01 mv 6 60 34 4 0 - 4 e 197 164 etot -8.7211E+01 mv 6 60 84 3 0 c 79 212.9 0.1 - 4 e 315 153 etot -8.2885E+01 mv 6 60 3 22 0 - -1 e 1 176 etot 1.3528E+20 mv 6 60 1 161 0 - 4 e 306 155 etot -8.8514E+01 mv 6 60 3 26 0 - 4 e 198 167 etot -7.5496E+01 mv 6 60 84 77 0 - 4 e 423 144 etot -8.8491E+01 mv 6 60 34 193 0 - -1 e 1 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etot -6.6159E+01 mv 1 60 14 -18 0 - 4 e 258 294 etot -8.8097E+01 mv 2 60 124 -144 0 - -1 e 1 326 etot 1.3528E+20 mv 1 60 43 -98 0 - 4 e 260 297 etot -6.8840E+01 mv 2 60 36 -154 0 - 4 e 190 306 etot -8.4756E+01 mv 1 60 14 -106 0 - 4 e 263 298 etot -8.7772E+01 mv 2 60 36 -144 0 - 4 e 392 290 etot -8.5454E+01 mv 2 60 1 108 0 - 4 e 222 304 etot -8.2145E+01 mv 1 60 7 -9 0 - 4 e 367 273 etot -7.4286E+01 mv 2 60 34 189 0 - 4 e 374 291 etot -7.3933E+01 mv 2 60 124 -133 0 - 4 e 573 275 etot -8.7621E+01 mv 2 60 34 27 0 - 4 e 207 305 etot -8.3616E+01 mv 1 60 7 -136 0 - 4 e 233 314 etot -9.0760E+01 mv 1 60 24 -182 0 - 4 e 299 292 etot -8.8096E+01 mv 2 60 124 -19 0 - 4 e 670 271 etot -8.5946E+01 mv 2 60 34 18 0 - -1 e 1 338 etot 1.3528E+20 mv 1 60 74 -179 0 - 4 e 277 315 etot -9.0704E+01 mv 1 60 24 -92 0 - 4 e 453 299 etot -7.7708E+01 mv 2 60 36 198 0 - 4 e 505 293 etot -7.2342E+01 mv 2 60 124 1 0 - 4 e 436 300 etot -8.4405E+01 mv 2 60 36 -115 0 - 4 e 311 317 etot -7.6590E+01 mv 1 60 25 -39 0 - 4 e 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-8.8115E+01 mv 1 60 1 158 0 - 4 e 476 364 etot -8.3603E+01 mv 1 60 161 -17 0 - 4 e 151 395 etot -8.8097E+01 mv 1 60 124 121 0 - 4 e 535 362 etot -7.7700E+01 mv 1 60 161 -194 0 - 4 e 204 379 etot -9.0745E+01 mv 1 60 3 1 0 - 4 e 224 391 etot -8.8025E+01 mv 1 60 124 -35 0 - 4 e 347 377 etot -8.2185E+01 mv 1 60 3 -160 0 - 4 e 367 376 etot -9.0743E+01 mv 1 60 3 101 0 - 4 e 115 398 etot -8.7772E+01 mv 1 60 36 150 0 - 4 e 129 401 etot -8.3616E+01 mv 0 60 7 0 0 - 4 e 104 403 etot -9.0761E+01 mv 0 60 24 0 0 c 24 1.1 0.0 - 4 e 129 402 etot -8.4709E+01 mv 0 60 14 0 0 - 4 e 262 392 etot -8.5300E+01 mv 1 60 124 -16 0 - 4 e 98 405 etot -8.5571E+01 mv 0 60 37 0 0 - 4 e 454 357 etot -7.2737E+01 mv 1 60 118 -16 0 - 4 e 2 418 etot -8.8115E+01 mv 0 60 1 0 0 -## N0 total= 20 close= 6 far= 0 %acc 30.0 -## N1 total= 100 close= 5 far= 2 %acc 7.0 -## N2 total= 100 close= 4 far= 0 %acc 4.0 -## N3 total= 0 close= 0 far= 0 %acc 0.0 -## N4 total= 0 close= 0 far= 0 %acc 0.0 -## N5 total= 0 close= 0 far= 0 %acc 0.0 -## N6 total= 200 close= 20 far= 2 %acc 11.0 -## N7 total= 0 close= 0 far= 0 %acc 0.0 -## N8 total= 0 close= 0 far= 0 %acc 0.0 -## N9 total= 0 close= 0 far= 0 %acc 0.0 -##N10 total= 0 close= 0 far= 0 %acc 0.0 -##N11 total= 0 close= 0 far= 0 %acc 0.0 -##N12 total= 0 close= 0 far= 0 %acc 0.0 -##N13 total= 0 close= 0 far= 0 %acc 0.0 -##N14 total= 0 close= 0 far= 0 %acc 0.0 -##N15 total= 0 close= 0 far= 0 %acc 0.0 -##N16 total= 0 close= 0 far= 0 %acc 0.0 -##N17 total= 0 close= 0 far= 0 %acc 0.0 -##N18 total= 0 close= 0 far= 0 %acc 0.0 - Time for refresh 61 0.57 - make_var : nseed= 20 ntry= 420 - Time for make trial 62 0.20 -Nonsetup time 121.57 sec, Eval/s = 65203.32 -Time for iter 62 2.24 sec, Eval/s = 55457.00 - UPDATING 420 - 4 e 136 406 etot -8.4859E+01 mv 0 60 43 0 0 c 43 1.2 0.0 - 4 e 277 393 etot -8.7292E+01 mv 1 60 124 -195 0 - 4 e 112 404 etot -8.7280E+01 mv 0 60 25 0 0 c 25 2.6 0.0 - 4 e 89 411 etot -8.5092E+01 mv 0 60 113 0 0 c 113 1.0 0.0 - 4 e 642 371 etot -8.0362E+01 mv 1 60 34 -102 0 - 4 e 385 410 etot -8.4507E+01 mv 0 60 111 0 0 - 4 e 109 412 etot -8.5288E+01 mv 0 60 118 0 0 c 118 1.2 0.0 - 4 e 395 390 etot -7.7232E+01 mv 1 60 1 -111 0 - 4 e 149 407 etot -8.6521E+01 mv 0 60 47 0 0 - 4 e 446 400 etot -7.7944E+01 mv 1 60 36 -183 0 - 4 e 577 375 etot -8.7622E+01 mv 1 60 34 180 0 - 4 e 612 368 etot -7.9986E+01 mv 1 60 193 -29 0 - 4 e 10 416 etot -9.0746E+01 mv 0 60 3 0 0 c 3 0.0 0.0 - 4 e 563 374 etot -8.2809E+01 mv 1 60 34 -57 0 - 4 e 26 417 etot -8.9606E+01 mv 0 60 84 0 0 - 4 e 348 380 etot -8.7036E+01 mv 1 60 3 4 0 - 4 e 723 397 etot -8.0665E+01 mv 1 60 36 -88 0 - 4 e 561 415 etot -8.7624E+01 mv 0 60 34 0 0 - 4 e 438 389 etot -7.7231E+01 mv 1 60 1 65 0 - 4 e 2 420 etot -8.7772E+01 mv 0 60 36 0 0 - -1 e 1 15 etot 1.3528E+20 mv 6 61 14 80 0 - 4 e 145 408 etot -8.3723E+01 mv 0 60 74 0 0 c 74 1.4 0.0 - 4 e 148 414 etot -8.7018E+01 mv 0 60 193 0 0 c 193 0.7 0.0 - 4 e 351 387 etot -7.5765E+01 mv 1 60 1 -77 0 - 4 e 428 373 etot -8.7758E+01 mv 1 60 34 -47 0 - 4 e 472 384 etot -8.0132E+01 mv 1 60 84 63 0 - 4 e 90 409 etot -8.4431E+01 mv 0 60 110 0 0 - 4 e 11 419 etot -8.8097E+01 mv 0 60 124 0 0 c 124 0.0 0.0 - 4 e 203 394 etot -7.3845E+01 mv 1 60 124 -136 0 - 4 e 198 396 etot -8.7102E+01 mv 1 60 36 105 0 - -1 e 1 22 etot 1.3528E+20 mv 6 61 37 82 0 - 4 e 218 386 etot -8.8115E+01 mv 1 60 1 110 0 - 4 e 141 413 etot -8.8687E+01 mv 0 60 161 0 0 c 161 0.2 0.0 - -1 e 1 29 etot 1.3528E+20 mv 6 61 37 94 0 - -1 e 1 32 etot 1.3528E+20 mv 6 61 47 28 0 - 4 e 165 12 etot -8.5225E+01 mv 6 61 14 18 0 c 14 1.8 0.0 - 4 e 183 9 etot -6.6840E+01 mv 6 61 7 194 0 - 4 e 194 35 etot -8.6948E+01 mv 6 61 47 178 0 c 47 2.3 0.0 - 4 e 200 33 etot -7.7394E+01 mv 6 61 47 180 0 - 4 e 204 17 etot -7.8176E+01 mv 6 61 14 45 0 - 4 e 212 14 etot -8.3080E+01 mv 6 61 14 149 0 - 4 e 256 21 etot -8.5475E+01 mv 6 61 37 141 0 - 4 e 244 3 etot -7.1539E+01 mv 6 61 7 185 0 - 4 e 307 6 etot -8.4530E+01 mv 6 61 7 199 0 c 7 180.2 0.2 - -1 e 1 44 etot 1.3528E+20 mv 6 61 65 99 0 - 4 e 331 5 etot 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0 - 4 e 284 383 etot -8.8687E+01 mv 1 61 161 65 0 - 4 e 573 357 etot -9.0504E+01 mv 1 61 117 -43 0 - 4 e 2 416 etot -8.9201E+01 mv 0 61 8 0 0 - 4 e 83 406 etot -8.2742E+01 mv 0 61 66 0 0 c 66 0.7 0.0 - 4 e 12 418 etot -8.8680E+01 mv 0 61 196 0 0 c 196 0.0 0.0 - 4 e 2 419 etot -8.8115E+01 mv 0 61 1 0 0 -## N0 total= 19 close= 11 far= 0 %acc 57.9 -## N1 total= 101 close= 4 far= 0 %acc 4.0 -## N2 total= 100 close= 3 far= 0 %acc 3.0 -## N3 total= 0 close= 0 far= 0 %acc 0.0 -## N4 total= 0 close= 0 far= 0 %acc 0.0 -## N5 total= 0 close= 0 far= 0 %acc 0.0 -## N6 total= 200 close= 19 far= 1 %acc 10.0 -## N7 total= 0 close= 0 far= 0 %acc 0.0 -## N8 total= 0 close= 0 far= 0 %acc 0.0 -## N9 total= 0 close= 0 far= 0 %acc 0.0 -##N10 total= 0 close= 0 far= 0 %acc 0.0 -##N11 total= 0 close= 0 far= 0 %acc 0.0 -##N12 total= 0 close= 0 far= 0 %acc 0.0 -##N13 total= 0 close= 0 far= 0 %acc 0.0 -##N14 total= 0 close= 0 far= 0 %acc 0.0 -##N15 total= 0 close= 0 far= 0 %acc 0.0 -##N16 total= 0 close= 0 far= 0 %acc 0.0 -##N17 total= 0 close= 0 far= 0 %acc 0.0 -##N18 total= 0 close= 0 far= 0 %acc 0.0 - Time for refresh 62 0.30 - make_var : nseed= 20 ntry= 420 - Time for make trial 63 0.09 -Nonsetup time 123.39 sec, Eval/s = 65223.04 -Time for iter 63 1.82 sec, Eval/s = 66542.93 - UPDATING 420 - 4 e 56 415 etot -8.2903E+01 mv 0 61 189 0 0 c 189 0.6 0.0 - 4 e 70 420 etot -8.8026E+01 mv 0 61 88 0 0 - 4 e 642 369 etot -8.3400E+01 mv 1 61 185 -96 0 - 4 e 149 409 etot -8.2716E+01 mv 0 61 108 0 0 c 108 0.7 0.0 - 4 e 123 411 etot -8.5552E+01 mv 0 61 111 0 0 c 111 1.4 0.0 - 4 e 560 391 etot -8.2434E+01 mv 1 61 1 -58 0 - 4 e 145 413 etot -8.2787E+01 mv 0 61 177 0 0 c 177 3.4 0.0 - 4 e 392 397 etot -8.8025E+01 mv 1 61 88 -66 0 - 4 e 217 414 etot -8.4814E+01 mv 0 61 185 0 0 c 185 4.3 0.0 - 4 e 170 405 etot -8.4807E+01 mv 0 61 65 0 0 - 4 e 105 407 etot -8.7212E+01 mv 0 61 79 0 0 c 79 0.7 0.0 - 4 e 146 402 etot -8.5225E+01 mv 0 61 14 0 0 c 14 0.6 0.0 - 4 e 483 387 etot -7.8876E+01 mv 1 61 196 -153 0 - 4 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-7.0251E+01 mv 2 62 145 -155 0 - 4 e 262 260 etot -8.0612E+01 mv 2 62 165 -108 0 - 4 e 325 255 etot -7.2782E+01 mv 2 62 153 -14 0 - 4 e 139 278 etot -7.1446E+01 mv 2 62 36 -109 0 - -1 e 1 286 etot 1.3528E+20 mv 2 62 174 162 0 - -1 e 1 287 etot 3.5996E+30 mv 2 62 174 -188 0 - 4 e 206 268 etot -8.9200E+01 mv 2 62 8 -138 0 - 4 e 260 267 etot -7.8075E+01 mv 2 62 8 78 0 - 4 e 514 249 etot -7.3499E+01 mv 2 62 147 -108 0 - 4 e 194 281 etot -8.8680E+01 mv 2 62 196 161 0 - 4 e 295 259 etot -8.0273E+01 mv 2 62 165 -74 0 - 4 e 823 227 etot -5.9531E+01 mv 2 62 103 -188 0 - 4 e 358 266 etot -7.4459E+01 mv 2 62 8 88 0 - 4 e 518 236 etot -8.5751E+01 mv 2 62 144 -71 0 c 144 7.8 0.0 - 4 e 416 247 etot -8.5973E+01 mv 2 62 147 -138 0 - 4 e 542 232 etot -6.0698E+01 mv 2 62 117 -193 0 - 4 e 162 282 etot -6.4065E+01 mv 2 62 196 20 0 - -1 e 1 299 etot 1.3528E+20 mv 2 62 183 156 0 - 4 e 415 251 etot -8.6082E+01 mv 2 62 153 -169 0 - 4 e 298 274 etot -7.4888E+01 mv 2 62 1 192 0 - 4 e 492 256 etot -8.3797E+01 mv 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490 354 etot -7.8580E+01 mv 1 62 153 -194 0 - 4 e 169 377 etot -8.7421E+01 mv 1 62 36 31 0 - 4 e 287 374 etot -8.7850E+01 mv 1 62 1 -163 0 - 4 e 396 366 etot -8.9200E+01 mv 1 62 8 -68 0 - 4 e 495 358 etot -7.5881E+01 mv 1 62 165 -46 0 - 4 e 202 378 etot -8.6386E+01 mv 1 62 36 151 0 - 4 e 110 402 etot -8.4910E+01 mv 0 62 29 0 0 - 4 e 222 389 etot -7.3463E+01 mv 1 62 174 -158 0 - 4 e 112 401 etot -8.4532E+01 mv 0 62 7 0 0 - 4 e 15 413 etot -8.4777E+01 mv 0 62 123 0 0 c 123 0.0 0.0 - 4 e 2 414 etot -8.9201E+01 mv 0 62 8 0 0 - 4 e 2 415 etot -8.8115E+01 mv 0 62 1 0 0 - 4 e 121 403 etot -8.6181E+01 mv 0 62 37 0 0 - 4 e 2 416 etot -8.7772E+01 mv 0 62 36 0 0 - 4 e 10 417 etot -8.8680E+01 mv 0 62 196 0 0 c 196 0.0 0.0 - 4 e 119 404 etot -8.4942E+01 mv 0 62 65 0 0 c 65 0.9 0.0 -## N0 total= 25 close= 13 far= 0 %acc 52.0 -## N1 total= 95 close= 5 far= 0 %acc 5.3 -## N2 total= 100 close= 1 far= 0 %acc 1.0 -## N3 total= 0 close= 0 far= 0 %acc 0.0 -## N4 total= 0 close= 0 far= 0 %acc 0.0 -## N5 total= 0 close= 0 far= 0 %acc 0.0 -## N6 total= 200 close= 15 far= 0 %acc 7.5 -## N7 total= 0 close= 0 far= 0 %acc 0.0 -## N8 total= 0 close= 0 far= 0 %acc 0.0 -## N9 total= 0 close= 0 far= 0 %acc 0.0 -##N10 total= 0 close= 0 far= 0 %acc 0.0 -##N11 total= 0 close= 0 far= 0 %acc 0.0 -##N12 total= 0 close= 0 far= 0 %acc 0.0 -##N13 total= 0 close= 0 far= 0 %acc 0.0 -##N14 total= 0 close= 0 far= 0 %acc 0.0 -##N15 total= 0 close= 0 far= 0 %acc 0.0 -##N16 total= 0 close= 0 far= 0 %acc 0.0 -##N17 total= 0 close= 0 far= 0 %acc 0.0 -##N18 total= 0 close= 0 far= 0 %acc 0.0 - Time for refresh 63 0.89 - make_var : nseed= 20 ntry= 420 - Time for make trial 64 0.04 -Nonsetup time 125.71 sec, Eval/s = 64960.08 -Time for iter 64 2.33 sec, Eval/s = 51023.46 - UPDATING 420 - 4 e 142 409 etot -8.5336E+01 mv 0 62 145 0 0 c 145 2.4 0.0 - 4 e 287 396 etot -8.5549E+01 mv 1 62 183 -11 0 - 4 e 317 399 etot -7.6715E+01 mv 1 62 183 174 0 - 4 e 50 419 etot -8.7723E+01 mv 0 62 167 0 0 c 167 0.1 0.0 - 4 e 467 398 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183 0 0 - 4 e 38 408 etot -9.0746E+01 mv 0 63 3 0 0 c 3 0.1 0.0 - 4 e 80 406 etot -8.6407E+01 mv 0 63 103 0 0 c 103 0.9 0.0 - 4 e 90 404 etot -8.3385E+01 mv 0 63 31 0 0 c 31 1.2 0.0 -## N0 total= 21 close= 15 far= 0 %acc 71.4 -## N1 total= 99 close= 2 far= 0 %acc 2.0 -## N2 total= 100 close= 2 far= 0 %acc 2.0 -## N3 total= 0 close= 0 far= 0 %acc 0.0 -## N4 total= 0 close= 0 far= 0 %acc 0.0 -## N5 total= 0 close= 0 far= 0 %acc 0.0 -## N6 total= 200 close= 12 far= 2 %acc 7.0 -## N7 total= 0 close= 0 far= 0 %acc 0.0 -## N8 total= 0 close= 0 far= 0 %acc 0.0 -## N9 total= 0 close= 0 far= 0 %acc 0.0 -##N10 total= 0 close= 0 far= 0 %acc 0.0 -##N11 total= 0 close= 0 far= 0 %acc 0.0 -##N12 total= 0 close= 0 far= 0 %acc 0.0 -##N13 total= 0 close= 0 far= 0 %acc 0.0 -##N14 total= 0 close= 0 far= 0 %acc 0.0 -##N15 total= 0 close= 0 far= 0 %acc 0.0 -##N16 total= 0 close= 0 far= 0 %acc 0.0 -##N17 total= 0 close= 0 far= 0 %acc 0.0 -##N18 total= 0 close= 0 far= 0 %acc 0.0 - Time for refresh 64 0.26 - make_var : nseed= 20 ntry= 420 - Time for make trial 65 0.09 -Nonsetup time 127.46 sec, Eval/s = 65010.29 -Time for iter 65 1.75 sec, Eval/s = 68625.18 - UPDATING 420 - 4 e 175 390 etot -8.7383E+01 mv 1 63 174 -43 0 - 4 e 255 399 etot -8.8050E+01 mv 1 63 122 -171 0 - 4 e 17 417 etot -8.9606E+01 mv 0 63 84 0 0 c 84 0.0 0.0 - 4 e 184 393 etot -7.5040E+01 mv 1 63 180 -109 0 - 4 e 260 384 etot -8.9605E+01 mv 1 63 84 7 0 - 4 e 128 403 etot -8.5262E+01 mv 0 63 29 0 0 c 29 0.3 0.0 - 4 e 499 376 etot -7.5363E+01 mv 1 63 183 -139 0 - 4 e 219 395 etot -8.7279E+01 mv 1 63 180 -82 0 - 4 e 29 418 etot -8.7384E+01 mv 0 63 174 0 0 - 4 e 403 379 etot -8.7602E+01 mv 1 63 183 190 0 - -1 e 1 3 etot 1.3528E+20 mv 6 64 9 17 0 - 4 e 213 394 etot -8.7279E+01 mv 1 63 180 -116 0 - 4 e 63 410 etot -8.9400E+01 mv 0 63 168 0 0 c 168 0.3 0.0 - 4 e 88 405 etot -8.6698E+01 mv 0 63 37 0 0 - 4 e 612 396 etot -8.4206E+01 mv 1 63 122 89 0 - 4 e 61 413 etot -8.8050E+01 mv 0 63 88 0 0 c 88 2.3 0.0 - 4 e 329 391 etot -8.7278E+01 mv 1 63 180 -154 0 - 4 e 577 371 etot -8.1934E+01 mv 1 63 196 26 0 - 4 e 10 419 etot -8.7279E+01 mv 0 63 180 0 0 - 4 e 17 420 etot -8.8051E+01 mv 0 63 122 0 0 c 122 0.0 0.0 - 4 e 212 389 etot -7.3463E+01 mv 1 63 174 -47 0 - 4 e 583 387 etot -8.7382E+01 mv 1 63 174 -140 0 - 4 e 499 372 etot -8.2814E+01 mv 1 63 196 141 0 - -1 e 1 16 etot 1.3528E+20 mv 6 64 30 149 0 - 4 e 622 364 etot -7.9403E+01 mv 1 63 88 -114 0 - 4 e 235 386 etot -8.6360E+01 mv 1 63 174 -118 0 - 4 e 342 397 etot -6.6544E+01 mv 1 63 122 49 0 - -1 e 1 19 etot 1.3528E+20 mv 6 64 30 47 0 - 4 e 137 402 etot -8.6442E+01 mv 0 63 22 0 0 c 22 3.0 0.0 - 4 e 196 383 etot -9.0085E+01 mv 1 63 84 37 0 c 84 41.0 0.5 - 4 e 257 373 etot -8.8310E+01 mv 1 63 196 182 0 - 4 e 427 392 etot -8.6463E+01 mv 1 63 180 -84 0 - -1 e 1 27 etot 1.3528E+20 mv 6 64 36 166 0 - 4 e 339 367 etot -8.1096E+01 mv 1 63 36 185 0 - 4 e 80 407 etot -8.6407E+01 mv 0 63 103 0 0 - 4 e 35 18 etot -8.6119E+01 mv 6 64 30 128 0 c 128 0.1 0.0 - 4 e 196 14 etot -8.6231E+01 mv 6 64 30 168 0 c 30 2.1 0.0 - 4 e 198 23 etot -7.5202E+01 mv 6 64 36 108 0 - 4 e 179 11 etot -8.4644E+01 mv 6 64 30 57 0 - 4 e 206 25 etot -8.7772E+01 mv 6 64 36 80 0 - 4 e 260 13 etot -8.5353E+01 mv 6 64 30 21 0 - 4 e 209 5 etot -8.3729E+01 mv 6 64 9 81 0 c 9 2.7 0.0 - 4 e 210 21 etot -8.4502E+01 mv 6 64 36 110 0 - 4 e 231 4 etot -6.2095E+01 mv 6 64 9 27 0 - 4 e 225 24 etot -7.8685E+01 mv 6 64 36 179 0 - -1 e 1 45 etot 1.3528E+20 mv 6 64 77 26 0 - 4 e 232 2 etot -8.4328E+01 mv 6 64 9 2 0 - -1 e 1 47 etot 1.3528E+20 mv 6 64 77 115 0 - 4 e 255 28 etot -7.8005E+01 mv 6 64 36 25 0 - 4 e 281 7 etot -8.4065E+01 mv 6 64 9 126 0 - 4 e 286 8 etot -7.5754E+01 mv 6 64 9 60 0 - 4 e 270 15 etot -8.4645E+01 mv 6 64 30 194 0 - 4 e 280 31 etot -8.8289E+01 mv 6 64 66 173 0 - 4 e 249 30 etot -8.5493E+01 mv 6 64 36 168 0 - 4 e 152 38 etot -6.9450E+01 mv 6 64 66 92 0 - 4 e 312 9 etot -8.3728E+01 mv 6 64 9 83 0 - 4 e 320 12 etot -7.9121E+01 mv 6 64 30 94 0 - 4 e 319 1 etot -7.9941E+01 mv 6 64 9 185 0 - 4 e 285 36 etot -8.4467E+01 mv 6 64 66 120 0 c 66 7.8 0.0 - 4 e 310 22 etot -8.3137E+01 mv 6 64 36 137 0 - 4 e 361 32 etot -8.8113E+01 mv 6 64 66 1 0 - 4 e 366 20 etot -7.2711E+01 mv 6 64 30 73 0 - 4 e 201 37 etot -8.4467E+01 mv 6 64 66 190 0 c 66 1.3 0.0 - 4 e 375 29 etot -8.0889E+01 mv 6 64 36 95 0 - 4 e 423 6 etot -8.3729E+01 mv 6 64 9 139 0 - -1 e 1 64 etot 1.3528E+20 mv 6 64 145 56 0 - 4 e 378 17 etot -7.5166E+01 mv 6 64 30 131 0 - 4 e 169 49 etot -6.4648E+01 mv 6 64 77 22 0 - 4 e 411 35 etot -7.6646E+01 mv 6 64 66 49 0 - 4 e 421 34 etot -8.3370E+01 mv 6 64 66 159 0 - 4 e 415 10 etot -8.1464E+01 mv 6 64 9 176 0 - 4 e 151 62 etot -6.5473E+01 mv 6 64 145 111 0 - 4 e 262 43 etot -7.9140E+01 mv 6 64 77 39 0 - 4 e 247 46 etot -8.3973E+01 mv 6 64 77 48 0 c 77 2.2 0.0 - 4 e 267 44 etot -8.3973E+01 mv 6 64 77 26 0 - 4 e 231 53 etot -8.2834E+01 mv 6 64 108 96 0 c 108 2.1 0.0 - 4 e 369 50 etot -8.2684E+01 mv 6 64 77 74 0 - 4 e 206 57 etot -7.2869E+01 mv 6 64 108 55 0 - 4 e 466 26 etot -8.3868E+01 mv 6 64 36 192 0 - 4 e 444 42 etot -6.3798E+01 mv 6 64 77 174 0 - 4 e 388 40 etot -7.5963E+01 mv 6 64 66 168 0 - 4 e 298 67 etot -7.8655E+01 mv 6 64 145 31 0 - 4 e 305 52 etot -8.1651E+01 mv 6 64 108 132 0 - 4 e 176 69 etot -7.1233E+01 mv 6 64 145 62 0 - 4 e 237 60 etot -7.5744E+01 mv 6 64 108 112 0 - 4 e 393 41 etot -8.3973E+01 mv 6 64 77 5 0 - 4 e 497 51 etot -7.9768E+01 mv 6 64 108 179 0 - 4 e 157 80 etot -8.7308E+01 mv 6 64 180 147 0 c 180 1.4 0.0 - 4 e 263 72 etot -8.7308E+01 mv 6 64 180 176 0 - 4 e 455 48 etot -8.3427E+01 mv 6 64 77 118 0 - 4 e 318 63 etot -8.4798E+01 mv 6 64 145 69 0 - 4 e 235 70 etot -8.8050E+01 mv 6 64 145 196 0 - 4 e 382 55 etot -7.5632E+01 mv 6 64 108 113 0 - 4 e 334 54 etot -8.2539E+01 mv 6 64 108 12 0 - 4 e 317 61 etot -8.4431E+01 mv 6 64 145 136 0 - 4 e 340 58 etot -8.2078E+01 mv 6 64 108 109 0 - 4 e 564 39 etot -7.6191E+01 mv 6 64 66 5 0 - 4 e 702 33 etot -8.5932E+01 mv 6 64 66 119 0 - 4 e 526 59 etot -8.1724E+01 mv 6 64 108 127 0 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215 96 etot -7.6323E+01 mv 6 64 3 30 0 - -1 e 1 121 etot 1.3528E+20 mv 6 64 1 147 0 - 4 e 151 108 etot -6.8563E+01 mv 6 64 168 75 0 - 4 e 268 91 etot -9.0744E+01 mv 6 64 3 46 0 - 4 e 378 87 etot -8.2561E+01 mv 6 64 16 108 0 - 4 e 326 93 etot -8.0416E+01 mv 6 64 3 178 0 - 4 e 354 90 etot -8.3542E+01 mv 6 64 16 86 0 c 16 196.3 0.2 - 4 e 376 89 etot -8.2485E+01 mv 6 64 16 7 0 - -1 e 1 128 etot 1.3528E+20 mv 6 64 1 101 0 - 4 e 466 85 etot -7.8019E+01 mv 6 64 16 13 0 - 4 e 479 82 etot -8.2673E+01 mv 6 64 16 12 0 - -1 e 1 131 etot 1.3528E+20 mv 6 64 196 183 0 - 4 e 312 106 etot -8.9293E+01 mv 6 64 168 118 0 - -1 e 1 133 etot 1.3528E+20 mv 6 64 196 109 0 - 4 e 432 76 etot -8.1972E+01 mv 6 64 180 156 0 - 4 e 313 110 etot -8.3037E+01 mv 6 64 168 170 0 - 4 e 498 86 etot -8.0767E+01 mv 6 64 16 154 0 - 4 e 279 113 etot -7.5113E+01 mv 6 64 161 178 0 - 4 e 242 117 etot -8.8687E+01 mv 6 64 161 84 0 - 4 e 309 115 etot -8.8687E+01 mv 6 64 161 36 0 - 4 e 259 122 etot -8.0236E+01 mv 6 64 1 4 0 - 4 e 465 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57 0 - 4 e 333 151 etot -8.7954E+01 mv 6 64 139 166 0 - 4 e 277 156 etot -8.8025E+01 mv 6 64 139 84 0 - 4 e 567 132 etot -8.4452E+01 mv 6 64 196 193 0 - 4 e 247 161 etot -7.7920E+01 mv 6 64 84 92 0 - 4 e 366 135 etot -8.4143E+01 mv 6 64 196 109 0 - 4 e 244 150 etot -8.0596E+01 mv 6 64 24 162 0 - 4 e 252 148 etot -9.0761E+01 mv 6 64 24 11 0 - 4 e 239 155 etot -8.7522E+01 mv 6 64 139 101 0 - 4 e 298 163 etot -8.9605E+01 mv 6 64 84 34 0 - 4 e 548 119 etot -8.5357E+01 mv 6 64 161 136 0 - 4 e 420 152 etot -8.8358E+01 mv 6 64 139 184 0 - 4 e 206 171 etot -8.7390E+01 mv 6 64 183 95 0 - 4 e 293 169 etot -7.9204E+01 mv 6 64 84 32 0 - 4 e 218 173 etot -8.5839E+01 mv 6 64 183 132 0 - 4 e 218 176 etot -8.3706E+01 mv 6 64 183 11 0 - 4 e 90 189 etot -8.3375E+01 mv 6 64 200 173 0 c 173 0.7 0.0 - 4 e 538 145 etot -8.3005E+01 mv 6 64 24 117 0 - 4 e 228 178 etot -7.2441E+01 mv 6 64 183 147 0 - -1 e 1 201 etot 1.3528E+20 mv 2 64 9 -168 0 - 4 e 395 165 etot -8.0057E+01 mv 6 64 84 30 0 - 4 e 482 157 etot 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211 etot -7.4475E+01 mv 2 64 36 -14 0 - 4 e 670 170 etot -8.2050E+01 mv 6 64 84 105 0 - 4 e 584 172 etot -8.2933E+01 mv 6 64 183 28 0 - 4 e 192 205 etot -8.3430E+01 mv 2 64 9 -196 0 - 4 e 317 202 etot -5.1163E+01 mv 2 64 9 -120 0 - -1 e 1 228 etot 1.3528E+20 mv 2 64 108 -113 0 - 4 e 295 204 etot -8.1891E+01 mv 2 64 9 -169 0 - 4 e 435 194 etot -7.4180E+01 mv 6 64 122 83 0 - 4 e 194 213 etot -8.3725E+01 mv 2 64 36 -128 0 - -1 e 1 232 etot 1.3528E+20 mv 2 64 145 -173 0 - 4 e 401 198 etot -8.8048E+01 mv 6 64 122 167 0 c 167 205.4 0.3 - 4 e 503 192 etot -8.9160E+01 mv 6 64 122 76 0 - 4 e 645 179 etot -8.0057E+01 mv 6 64 183 178 0 - 4 e 340 193 etot -8.5374E+01 mv 6 64 122 103 0 - 4 e 318 210 etot -8.6231E+01 mv 2 64 30 -86 0 - 8 e 135 219 etot -6.3997E+01 mv 2 64 66 -186 0 - 4 e 285 214 etot -8.6580E+01 mv 2 64 36 -102 0 - 4 e 251 218 etot -6.7141E+01 mv 2 64 66 -21 0 - 4 e 460 208 etot -7.1208E+01 mv 2 64 30 -107 0 - -1 e 1 242 etot 1.3528E+20 mv 2 64 16 76 0 - 4 e 268 224 etot -6.7265E+01 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etot -7.5410E+01 mv 2 64 183 -131 0 - 4 e 172 301 etot -8.3729E+01 mv 1 64 9 -23 0 c 9 0.8 0.0 - 4 e 542 270 etot -8.3054E+01 mv 2 64 196 -146 0 - -1 e 1 328 etot 2.5346E+22 mv 1 64 108 -175 0 - 4 e 170 315 etot -8.8215E+01 mv 1 64 36 -65 0 c 36 1.3 0.0 - 4 e 258 305 etot -7.8838E+01 mv 1 64 9 -195 0 - 4 e 218 310 etot -8.6231E+01 mv 1 64 30 -81 0 - -1 e 1 332 etot 1.3528E+20 mv 1 64 145 -153 0 - 4 e 197 304 etot -8.3729E+01 mv 1 64 9 -89 0 - -1 e 1 334 etot 1.3528E+20 mv 1 64 145 -153 0 - 4 e 244 308 etot -7.1768E+01 mv 1 64 30 -51 0 - 4 e 228 311 etot -8.8215E+01 mv 1 64 36 -25 0 - 4 e 288 306 etot -8.6231E+01 mv 1 64 30 -61 0 - 4 e 565 252 etot -8.4589E+01 mv 2 64 168 -118 0 - 4 e 271 309 etot -7.7043E+01 mv 1 64 30 -195 0 - 4 e 571 253 etot -8.4582E+01 mv 2 64 168 130 0 - 4 e 257 314 etot -8.8215E+01 mv 1 64 36 -108 0 - 4 e 279 312 etot -7.4241E+01 mv 1 64 36 -124 0 - 4 e 158 326 etot -6.6952E+01 mv 1 64 108 -127 0 - -1 e 1 342 etot 1.3528E+20 mv 1 64 16 37 0 - 4 e 139 329 etot 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etot -8.8258E+01 mv 1 64 161 -3 0 - 4 e 203 366 etot -6.1880E+01 mv 1 64 196 -37 0 - 4 e 189 367 etot -8.7949E+01 mv 1 64 196 192 0 - 4 e 285 363 etot -7.2829E+01 mv 1 64 1 53 0 - 4 e 154 376 etot -8.8359E+01 mv 1 64 139 -132 0 - 4 e 607 330 etot -8.2629E+01 mv 1 64 108 -85 0 - 4 e 193 365 etot -8.8115E+01 mv 1 64 1 -11 0 - 4 e 483 349 etot -8.5958E+01 mv 1 64 3 -145 0 - 4 e 236 369 etot -6.9209E+01 mv 1 64 196 123 0 - 4 e 403 339 etot -8.7307E+01 mv 1 64 180 -198 0 - 4 e 506 327 etot -7.1485E+01 mv 1 64 108 -16 0 - 4 e 432 357 etot -7.2066E+01 mv 1 64 161 133 0 - 4 e 373 362 etot -7.7006E+01 mv 1 64 1 177 0 - 4 e 202 368 etot -8.8680E+01 mv 1 64 196 14 0 - 4 e 394 364 etot -8.8114E+01 mv 1 64 1 146 0 - 4 e 300 371 etot -9.0760E+01 mv 1 64 24 -195 0 - 4 e 140 388 etot -8.7603E+01 mv 1 64 183 -171 0 - 4 e 339 370 etot -8.8679E+01 mv 1 64 196 -96 0 - 4 e 485 359 etot -8.2860E+01 mv 1 64 161 131 0 - 4 e 462 347 etot -8.9966E+01 mv 1 64 3 -2 0 - 4 e 58 403 etot -8.8216E+01 mv 0 64 36 0 0 c 36 0.5 0.0 - 4 e 185 383 etot -8.9588E+01 mv 1 64 84 183 0 - 4 e 215 387 etot -8.7603E+01 mv 1 64 183 -31 0 - 4 e 276 384 etot -8.9604E+01 mv 1 64 84 73 0 - 4 e 10 410 etot -9.0746E+01 mv 0 64 3 0 0 c 3 0.0 0.0 - 4 e 387 377 etot -8.5034E+01 mv 1 64 139 -67 0 - 4 e 259 386 etot -7.6673E+01 mv 1 64 183 -132 0 - 4 e 10 412 etot -8.8687E+01 mv 0 64 161 0 0 c 161 0.0 0.0 - 4 e 2 413 etot -8.8115E+01 mv 0 64 1 0 0 - 4 e 131 401 etot -8.3729E+01 mv 0 64 9 0 0 c 9 0.8 0.0 - 4 e 112 402 etot -8.6232E+01 mv 0 64 30 0 0 c 30 0.9 0.0 - 4 e 2 414 etot -8.8680E+01 mv 0 64 196 0 0 - 4 e 2 416 etot -8.8359E+01 mv 0 64 139 0 0 - 4 e 2 418 etot -8.7603E+01 mv 0 64 183 0 0 -## N0 total= 19 close= 11 far= 0 %acc 57.9 -## N1 total= 101 close= 4 far= 0 %acc 4.0 -## N2 total= 100 close= 3 far= 0 %acc 3.0 -## N3 total= 0 close= 0 far= 0 %acc 0.0 -## N4 total= 0 close= 0 far= 0 %acc 0.0 -## N5 total= 0 close= 0 far= 0 %acc 0.0 -## N6 total= 200 close= 18 far= 0 %acc 9.0 -## N7 total= 0 close= 0 far= 0 %acc 0.0 -## N8 total= 0 close= 0 far= 0 %acc 0.0 -## N9 total= 0 close= 0 far= 0 %acc 0.0 -##N10 total= 0 close= 0 far= 0 %acc 0.0 -##N11 total= 0 close= 0 far= 0 %acc 0.0 -##N12 total= 0 close= 0 far= 0 %acc 0.0 -##N13 total= 0 close= 0 far= 0 %acc 0.0 -##N14 total= 0 close= 0 far= 0 %acc 0.0 -##N15 total= 0 close= 0 far= 0 %acc 0.0 -##N16 total= 0 close= 0 far= 0 %acc 0.0 -##N17 total= 0 close= 0 far= 0 %acc 0.0 -##N18 total= 0 close= 0 far= 0 %acc 0.0 - Time for refresh 65 0.29 - make_var : nseed= 20 ntry= 420 - Time for make trial 66 0.14 -Nonsetup time 129.25 sec, Eval/s = 65002.35 -Time for iter 66 1.79 sec, Eval/s = 64437.10 - UPDATING 420 - 4 e 131 405 etot -8.3974E+01 mv 0 64 77 0 0 c 77 1.5 0.0 - 4 e 59 407 etot -8.5361E+01 mv 0 64 145 0 0 c 145 0.4 0.0 - 4 e 17 420 etot -8.8051E+01 mv 0 64 122 0 0 c 167 1.0 0.0 - 4 e 334 395 etot -8.7591E+01 mv 1 64 200 -11 0 - 4 e 454 375 etot -7.8405E+01 mv 1 64 24 35 0 - 4 e 550 391 etot -8.3645E+01 mv 1 64 200 87 0 - 4 e 394 379 etot 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6 65 200 162 0 - 4 e 285 145 etot -9.0083E+01 mv 6 65 38 84 0 - 4 e 219 154 etot -8.4472E+01 mv 6 65 161 15 0 - 4 e 358 128 etot -8.0637E+01 mv 6 65 200 86 0 - -1 e 1 174 etot 1.3528E+20 mv 6 65 124 19 0 - -1 e 1 176 etot 1.3528E+20 mv 6 65 124 167 0 - 4 e 192 158 etot -8.6156E+01 mv 6 65 161 23 0 - 4 e 371 141 etot -8.0393E+01 mv 6 65 38 112 0 - 4 e 232 157 etot -8.5674E+01 mv 6 65 161 33 0 - 4 e 262 155 etot -7.5785E+01 mv 6 65 161 49 0 - 4 e 232 160 etot -8.7232E+01 mv 6 65 161 96 0 - 4 e 243 159 etot -8.3690E+01 mv 6 65 161 93 0 - 4 e 320 150 etot -7.8834E+01 mv 6 65 38 85 0 - 4 e 378 147 etot -8.3057E+01 mv 6 65 38 72 0 - 4 e 420 146 etot -8.2841E+01 mv 6 65 38 129 0 - 4 e 354 151 etot -8.7939E+01 mv 6 65 161 96 0 - 4 e 286 161 etot -7.6501E+01 mv 6 65 196 80 0 - 4 e 509 143 etot -7.8162E+01 mv 6 65 38 95 0 - 4 e 253 168 etot -7.3557E+01 mv 6 65 196 14 0 - 4 e 253 149 etot -8.7216E+01 mv 6 65 38 195 0 - 4 e 318 164 etot -7.2696E+01 mv 6 65 196 144 0 - 4 e 320 163 etot -7.6683E+01 mv 6 65 196 163 0 - -1 e 1 193 etot 1.3528E+20 mv 6 65 193 130 0 - 4 e 182 172 etot -8.4302E+01 mv 6 65 124 158 0 - 4 e 316 153 etot -8.5566E+01 mv 6 65 161 47 0 - 4 e 660 136 etot -7.9130E+01 mv 6 65 174 40 0 - 4 e 318 169 etot -8.8679E+01 mv 6 65 196 94 0 - -1 e 1 198 etot 1.3528E+20 mv 6 65 193 131 0 - 4 e 214 180 etot -7.7915E+01 mv 6 65 124 45 0 - 4 e 267 177 etot -7.9209E+01 mv 6 65 124 126 0 - 4 e 163 185 etot -8.6437E+01 mv 6 65 135 139 0 - 4 e 329 148 etot -8.7216E+01 mv 6 65 38 82 0 - 4 e 349 170 etot -8.5632E+01 mv 6 65 196 12 0 - 4 e 420 166 etot -8.1003E+01 mv 6 65 196 192 0 - 4 e 379 152 etot -8.0890E+01 mv 6 65 161 199 0 - 4 e 259 183 etot -7.7618E+01 mv 6 65 135 198 0 - -1 e 1 207 etot 1.3528E+20 mv 2 65 48 -90 0 - 4 e 190 190 etot -8.8087E+01 mv 6 65 135 41 0 - 4 e 514 162 etot -8.1874E+01 mv 6 65 196 148 0 - 4 e 351 179 etot -8.7884E+01 mv 6 65 124 157 0 - 4 e 412 173 etot -7.5170E+01 mv 6 65 124 178 0 - 4 e 152 191 etot -8.5580E+01 mv 6 65 193 198 0 - 4 e 342 184 etot -8.8085E+01 mv 6 65 135 68 0 - 4 e 313 187 etot -8.1113E+01 mv 6 65 135 38 0 - 4 e 377 181 etot -8.0927E+01 mv 6 65 135 164 0 - 4 e 254 194 etot -8.7018E+01 mv 6 65 193 131 0 - 4 e 341 186 etot -8.3044E+01 mv 6 65 135 181 0 - 4 e 193 201 etot -8.3543E+01 mv 2 65 16 -8 0 - 4 e 350 189 etot -8.3789E+01 mv 6 65 135 26 0 - 4 e 354 175 etot -8.8096E+01 mv 6 65 124 116 0 - 4 e 314 192 etot -8.1037E+01 mv 6 65 193 80 0 - -1 e 1 221 etot 1.3528E+20 mv 2 65 122 -7 0 - 4 e 462 182 etot -8.6646E+01 mv 6 65 135 80 0 - 4 e 279 199 etot -8.5692E+01 mv 6 65 193 45 0 - -1 e 1 225 etot 1.3528E+20 mv 2 65 122 -36 0 - 4 e 178 212 etot -6.3345E+01 mv 2 65 84 -131 0 - 4 e 676 167 etot -8.1176E+01 mv 6 65 196 126 0 - -1 e 1 228 etot 1.3528E+20 mv 2 65 167 -6 0 - 4 e 337 200 etot -7.0874E+01 mv 6 65 193 91 0 - 4 e 599 178 etot -8.0435E+01 mv 6 65 124 45 0 - 4 e 364 197 etot -7.3234E+01 mv 6 65 193 125 0 - 4 e 330 204 etot -7.7334E+01 mv 2 65 16 -54 0 - 4 e 257 211 etot -9.0900E+01 mv 2 65 84 -128 0 - 4 e 536 188 etot -8.2018E+01 mv 6 65 135 169 0 - 8 e 91 227 etot -6.3996E+01 mv 2 65 167 -79 0 - 4 e 503 171 etot -7.6788E+01 mv 6 65 124 182 0 - 4 e 324 210 etot -8.7151E+01 mv 2 65 48 -35 0 c 48 4.6 0.0 - 4 e 402 205 etot -7.8485E+01 mv 2 65 16 -108 0 - 4 e 328 195 etot -8.5508E+01 mv 6 65 193 2 0 - 4 e 271 206 etot -8.7151E+01 mv 2 65 48 -76 0 - 4 e 185 226 etot -8.8051E+01 mv 2 65 167 -166 0 - 4 e 587 165 etot -8.1899E+01 mv 6 65 196 98 0 - 4 e 336 214 etot -6.8319E+01 mv 2 65 84 -182 0 - 4 e 279 220 etot -8.4935E+01 mv 2 65 99 -12 0 - 4 e 516 202 etot -7.8314E+01 mv 2 65 16 -163 0 - 4 e 184 232 etot -7.9902E+01 mv 2 65 179 -82 0 - 4 e 209 231 etot -8.4694E+01 mv 2 65 179 -73 0 c 179 1.7 0.0 - 4 e 388 215 etot -9.0896E+01 mv 2 65 84 -47 0 - 4 e 179 236 etot -8.3346E+01 mv 2 65 199 20 0 - 4 e 261 229 etot -8.6266E+01 mv 2 65 167 -136 0 - 4 e 494 209 etot -8.5424E+01 mv 2 65 48 -134 0 - 4 e 546 208 etot -7.4702E+01 mv 2 65 48 -53 0 - 4 e 295 230 etot -7.6967E+01 mv 2 65 167 -54 0 - 4 e 431 219 etot -8.0035E+01 mv 2 65 99 -53 0 - 4 e 459 196 etot -7.7544E+01 mv 6 65 193 5 0 - 4 e 457 218 etot -8.0952E+01 mv 2 65 99 -5 0 - 4 e 130 246 etot -8.8215E+01 mv 2 65 36 107 0 - 4 e 322 233 etot -6.5449E+01 mv 2 65 179 -156 0 - 4 e 493 216 etot -8.5983E+01 mv 2 65 99 -136 0 - 4 e 117 248 etot -8.8216E+01 mv 2 65 36 -41 0 - 4 e 140 247 etot -6.6356E+01 mv 2 65 36 -170 0 - 4 e 160 251 etot -7.5649E+01 mv 2 65 139 96 0 - 4 e 177 243 etot -9.0761E+01 mv 2 65 24 196 0 - -1 e 1 264 etot 1.3528E+20 mv 2 65 200 -155 0 - 4 e 562 217 etot -7.3078E+01 mv 2 65 99 -49 0 - 4 e 356 235 etot -7.7593E+01 mv 2 65 179 -11 0 - 4 e 504 224 etot -8.6417E+01 mv 2 65 122 -107 0 - -1 e 1 268 etot 1.3528E+20 mv 2 65 174 -29 0 - 4 e 234 245 etot -9.0761E+01 mv 2 65 24 89 0 - 4 e 275 244 etot -7.0250E+01 mv 2 65 24 1 0 - 4 e 337 239 etot -8.1836E+01 mv 2 65 199 -108 0 - 4 e 374 238 etot -7.7272E+01 mv 2 65 199 195 0 - 4 e 569 222 etot -7.1727E+01 mv 2 65 122 -193 0 - 4 e 403 223 etot -7.7475E+01 mv 2 65 122 -40 0 - -1 e 1 275 etot 1.3528E+20 mv 2 65 38 -31 0 - 4 e 315 250 etot -7.5726E+01 mv 2 65 36 -14 0 - 4 e 243 257 etot -7.3276E+01 mv 2 65 1 30 0 - 4 e 253 255 etot -7.8294E+01 mv 2 65 139 -22 0 - 4 e 295 240 etot -8.4878E+01 mv 2 65 199 162 0 - 4 e 218 260 etot -8.8115E+01 mv 2 65 1 11 0 - 4 e 558 234 etot -7.8327E+01 mv 2 65 179 -148 0 - 4 e 177 266 etot -8.7383E+01 mv 2 65 174 136 0 - 4 e 471 242 etot -7.8768E+01 mv 2 65 24 165 0 - 4 e 353 253 etot -7.9954E+01 mv 2 65 139 -124 0 - 4 e 154 274 etot -8.7217E+01 mv 2 65 38 102 0 - 4 e 383 252 etot -7.5057E+01 mv 2 65 139 52 0 - 4 e 388 237 etot -8.2653E+01 mv 2 65 199 187 0 - 4 e 227 269 etot -8.7383E+01 mv 2 65 174 -141 0 - 4 e 220 270 etot -8.7383E+01 mv 2 65 174 -89 0 - -1 e 1 290 etot 4.9060E+20 mv 2 65 124 161 0 - 4 e 281 267 etot -7.5286E+01 mv 2 65 174 -194 0 - -1 e 1 292 etot 1.3528E+20 mv 2 65 135 -116 0 - 4 e 371 259 etot -8.1123E+01 mv 2 65 1 -69 0 - 4 e 412 254 etot -8.2798E+01 mv 2 65 139 102 0 - 4 e 256 273 etot -8.7217E+01 mv 2 65 38 127 0 - 4 e 512 249 etot -7.7601E+01 mv 2 65 36 -57 0 - 4 e 425 258 etot -8.8112E+01 mv 2 65 1 -186 0 - 4 e 209 278 etot -8.8687E+01 mv 2 65 161 -6 0 - 4 e 328 271 etot -8.7216E+01 mv 2 65 38 -56 0 - 4 e 321 272 etot -8.4088E+01 mv 2 65 38 -36 0 - 4 e 125 291 etot -8.7039E+01 mv 2 65 135 41 0 - 4 e 396 263 etot -7.8948E+01 mv 2 65 200 -35 0 - 4 e 262 281 etot -8.8680E+01 mv 2 65 196 34 0 - 4 e 489 261 etot -7.9806E+01 mv 2 65 200 -37 0 - 4 e 745 203 etot -6.1385E+01 mv 2 65 16 -106 0 - 4 e 697 213 etot -8.0191E+01 mv 2 65 84 -25 0 - -1 e 1 307 etot 1.3528E+20 mv 1 65 48 -50 0 - 4 e 522 241 etot -6.6765E+01 mv 2 65 24 -116 0 - -1 e 1 309 etot 1.3528E+20 mv 1 65 48 -74 0 - 4 e 210 293 etot -8.7039E+01 mv 2 65 135 111 0 - 4 e 367 277 etot -7.9106E+01 mv 2 65 161 20 0 - 4 e 156 300 etot -6.4784E+01 mv 2 65 193 -123 0 - 4 e 368 279 etot -7.1817E+01 mv 2 65 161 -173 0 - 4 e 251 280 etot -8.5965E+01 mv 2 65 161 -144 0 - 4 e 278 287 etot -8.5300E+01 mv 2 65 124 171 0 - 4 e 369 283 etot -8.8679E+01 mv 2 65 196 -27 0 - 4 e 395 265 etot -8.0481E+01 mv 2 65 200 48 0 - 4 e 636 262 etot -8.3624E+01 mv 2 65 200 115 0 c 175 97.7 0.2 - 4 e 207 301 etot -7.1260E+01 mv 1 65 16 -15 0 - -1 e 1 320 etot 6.8594E+30 mv 1 65 99 -170 0 - 4 e 342 286 etot -7.3479E+01 mv 2 65 124 196 0 - 4 e 407 282 etot -8.8629E+01 mv 2 65 196 30 0 - 4 e 389 285 etot -8.8629E+01 mv 2 65 196 36 0 - 4 e 392 276 etot -7.5382E+01 mv 2 65 161 -47 0 - 4 e 356 294 etot -7.8478E+01 mv 2 65 135 -99 0 - 4 e 234 305 etot -7.6941E+01 mv 1 65 16 -64 0 - -1 e 1 327 etot 1.3528E+20 mv 1 65 167 -133 0 - 4 e 522 256 etot -8.7937E+01 mv 2 65 1 -60 0 - 4 e 436 289 etot -8.8095E+01 mv 2 65 124 -96 0 - -1 e 1 330 etot 1.3528E+20 mv 1 65 167 -103 0 - -1 e 1 331 etot 1.3528E+20 mv 1 65 179 -77 0 - 4 e 174 316 etot -8.6081E+01 mv 1 65 99 -182 0 c 99 3.1 0.0 - 4 e 314 303 etot -8.1788E+01 mv 1 65 16 -177 0 - -1 e 1 334 etot 1.3528E+20 mv 1 65 179 -3 0 - 4 e 190 306 etot -8.7356E+01 mv 1 65 48 -152 0 c 48 3.6 0.2 - 4 e 210 312 etot -6.7074E+01 mv 1 65 84 -101 0 - 4 e 305 304 etot -8.3542E+01 mv 1 65 16 -122 0 - 4 e 213 311 etot -9.0798E+01 mv 1 65 84 -161 0 - 4 e 426 296 etot -8.4458E+01 mv 2 65 193 96 0 - 4 e 391 298 etot -7.5873E+01 mv 2 65 193 18 0 - 4 e 437 297 etot -8.7007E+01 mv 2 65 193 96 0 - -1 e 1 342 etot 1.3528E+20 mv 1 65 24 -63 0 - 4 e 411 302 etot -7.5045E+01 mv 1 65 16 -100 0 - 4 e 269 313 etot -7.0460E+01 mv 1 65 84 -65 0 - -1 e 1 345 etot 1.3528E+20 mv 1 65 24 21 0 - 4 e 606 284 etot -8.1885E+01 mv 2 65 196 -24 0 - 4 e 215 321 etot -8.8104E+01 mv 1 65 122 -60 0 c 122 4.9 0.0 - 4 e 382 288 etot -8.2004E+01 mv 2 65 124 75 0 - 4 e 254 308 etot -8.2355E+01 mv 1 65 48 -88 0 - 4 e 281 322 etot -6.8906E+01 mv 1 65 122 -184 0 - 4 e 230 315 etot -8.7272E+01 mv 1 65 84 -169 0 - 4 e 195 335 etot -8.2016E+01 mv 1 65 179 -106 0 - 4 e 594 295 etot -6.1788E+01 mv 2 65 135 -146 0 - 4 e 297 324 etot -8.8104E+01 mv 1 65 122 -104 0 - 4 e 311 310 etot -8.6769E+01 mv 1 65 48 -111 0 - 4 e 270 328 etot -8.6267E+01 mv 1 65 167 -158 0 - 4 e 209 340 etot -8.3346E+01 mv 1 65 199 -148 0 - 4 e 204 341 etot -9.0761E+01 mv 1 65 24 -183 0 - 4 e 111 351 etot -7.0636E+01 mv 1 65 139 -106 0 - 4 e 204 343 etot -9.0761E+01 mv 1 65 24 75 0 - 4 e 262 338 etot -8.3346E+01 mv 1 65 199 193 0 - 4 e 471 314 etot -8.9752E+01 mv 1 65 84 -74 0 - 4 e 452 317 etot -7.5845E+01 mv 1 65 99 -112 0 - 4 e 199 348 etot -8.8215E+01 mv 1 65 36 17 0 - 4 e 660 299 etot -8.4121E+01 mv 2 65 193 -151 0 - 4 e 304 337 etot -7.6368E+01 mv 1 65 199 -183 0 - 4 e 208 336 etot -8.3346E+01 mv 1 65 199 191 0 - 4 e 308 339 etot -8.2252E+01 mv 1 65 199 115 0 - -1 e 1 369 etot 1.3528E+20 mv 1 65 174 -181 0 - 4 e 270 329 etot -7.4558E+01 mv 1 65 167 -34 0 - 4 e 366 333 etot -8.2015E+01 mv 1 65 179 -80 0 - 4 e 184 349 etot -8.6523E+01 mv 1 65 36 -79 0 - 4 e 151 359 etot -7.2543E+01 mv 1 65 1 139 0 - 4 e 541 319 etot -7.8949E+01 mv 1 65 99 -51 0 - 4 e 186 358 etot -8.8115E+01 mv 1 65 1 99 0 - 4 e 482 326 etot -8.8050E+01 mv 1 65 167 -67 0 - 4 e 470 332 etot -7.7143E+01 mv 1 65 179 -128 0 - 4 e 145 370 etot -8.7383E+01 mv 1 65 174 70 0 - 4 e 288 354 etot -8.8358E+01 mv 1 65 139 -50 0 - 4 e 256 357 etot -8.6675E+01 mv 1 65 1 -129 0 - 8 e 3 379 etot -3.1994E+01 mv 1 65 161 -21 0 - 4 e 180 366 etot -8.7383E+01 mv 1 65 174 -12 0 - 4 e 450 318 etot -8.1435E+01 mv 1 65 99 -59 0 - 4 e 311 353 etot -8.2125E+01 mv 1 65 139 106 0 - 4 e 422 347 etot -7.7878E+01 mv 1 65 36 -54 0 - 4 e 255 363 etot -8.7346E+01 mv 1 65 200 -2 0 - 4 e 241 365 etot -8.7592E+01 mv 1 65 200 -96 0 - 4 e 643 323 etot -7.7634E+01 mv 1 65 122 -184 0 - 4 e 420 325 etot -8.3020E+01 mv 1 65 122 -137 0 - 4 e 341 355 etot -8.8359E+01 mv 1 65 139 200 0 - 4 e 168 375 etot -7.1163E+01 mv 1 65 38 137 0 - 4 e 260 367 etot -8.6945E+01 mv 1 65 174 -131 0 - 4 e 184 368 etot -8.7383E+01 mv 1 65 174 39 0 - 4 e 271 356 etot -7.5890E+01 mv 1 65 1 90 0 - 4 e 333 362 etot -7.5890E+01 mv 1 65 200 -44 0 - 4 e 510 346 etot -8.2522E+01 mv 1 65 36 188 0 - -1 e 1 397 etot 1.3528E+20 mv 1 65 193 49 0 - 4 e 548 344 etot -7.8768E+01 mv 1 65 24 -147 0 - 4 e 351 361 etot -8.7345E+01 mv 1 65 200 100 0 - 4 e 168 373 etot -8.7217E+01 mv 1 65 38 -200 0 - 4 e 141 380 etot -7.5326E+01 mv 1 65 161 185 0 - 4 e 262 372 etot -7.4153E+01 mv 1 65 38 139 0 - 4 e 256 374 etot -8.1740E+01 mv 1 65 38 148 0 - 4 e 205 371 etot -8.7216E+01 mv 1 65 38 -189 0 - 4 e 139 387 etot -6.8279E+01 mv 1 65 124 49 0 - 4 e 186 388 etot -8.8097E+01 mv 1 65 124 138 0 - 4 e 235 381 etot -8.8680E+01 mv 1 65 196 -154 0 - 4 e 386 352 etot -8.2541E+01 mv 1 65 139 45 0 - 4 e 75 406 etot -8.8051E+01 mv 0 65 167 0 0 - 4 e 239 385 etot -8.8316E+01 mv 1 65 196 53 0 - 4 e 311 377 etot -8.8687E+01 mv 1 65 161 12 0 - 4 e 2 411 etot -8.8359E+01 mv 0 65 139 0 0 - 4 e 190 391 etot -8.6896E+01 mv 1 65 135 -79 0 - 4 e 2 412 etot -8.8115E+01 mv 0 65 1 0 0 - 4 e 27 408 etot -8.3346E+01 mv 0 65 199 0 0 c 199 0.0 0.0 - 4 e 2 415 etot -8.7217E+01 mv 0 65 38 0 0 - 4 e 13 410 etot -8.8216E+01 mv 0 65 36 0 0 c 36 0.0 0.0 - 4 e 2 417 etot -8.8680E+01 mv 0 65 196 0 0 - 4 e 2 418 etot -8.8097E+01 mv 0 65 124 0 0 -## N0 total= 19 close= 10 far= 0 %acc 52.6 -## N1 total= 101 close= 3 far= 0 %acc 3.0 -## N2 total= 100 close= 3 far= 0 %acc 3.0 -## N3 total= 0 close= 0 far= 0 %acc 0.0 -## N4 total= 0 close= 0 far= 0 %acc 0.0 -## N5 total= 0 close= 0 far= 0 %acc 0.0 -## N6 total= 200 close= 14 far= 0 %acc 7.0 -## N7 total= 0 close= 0 far= 0 %acc 0.0 -## N8 total= 0 close= 0 far= 0 %acc 0.0 -## N9 total= 0 close= 0 far= 0 %acc 0.0 -##N10 total= 0 close= 0 far= 0 %acc 0.0 -##N11 total= 0 close= 0 far= 0 %acc 0.0 -##N12 total= 0 close= 0 far= 0 %acc 0.0 -##N13 total= 0 close= 0 far= 0 %acc 0.0 -##N14 total= 0 close= 0 far= 0 %acc 0.0 -##N15 total= 0 close= 0 far= 0 %acc 0.0 -##N16 total= 0 close= 0 far= 0 %acc 0.0 -##N17 total= 0 close= 0 far= 0 %acc 0.0 -##N18 total= 0 close= 0 far= 0 %acc 0.0 - Time for refresh 66 0.29 - make_var : nseed= 20 ntry= 420 - Time for make trial 67 0.09 -Nonsetup time 130.98 sec, Eval/s = 65013.44 -Time for iter 67 1.73 sec, Eval/s = 65843.55 - UPDATING 420 - 4 e 294 398 etot -8.5508E+01 mv 1 65 193 184 0 - 4 e 322 389 etot -8.8096E+01 mv 1 65 124 -27 0 - 4 e 429 382 etot -8.8678E+01 mv 1 65 196 -190 0 - 4 e 297 392 etot -7.7572E+01 mv 1 65 135 74 0 - 4 e 265 399 etot -8.7018E+01 mv 1 65 193 175 0 - 4 e 175 404 etot -8.6081E+01 mv 0 65 99 0 0 - 4 e 40 419 etot -8.7040E+01 mv 0 65 135 0 0 c 135 0.1 0.0 - 4 e 67 413 etot -8.7592E+01 mv 0 65 200 0 0 - 4 e 562 360 etot -8.8112E+01 mv 1 65 1 58 0 - 4 e 313 386 etot -8.2799E+01 mv 1 65 124 189 0 - -1 e 1 2 etot 1.3528E+20 mv 6 66 16 57 0 - 4 e 444 376 etot -8.0794E+01 mv 1 65 161 -49 0 - 4 e 153 402 etot -8.7152E+01 mv 0 65 48 0 0 - 4 e 296 393 etot -8.7039E+01 mv 1 65 135 161 0 - 4 e 286 400 etot -8.7018E+01 mv 1 65 193 76 0 - 4 e 146 403 etot -9.0901E+01 mv 0 65 84 0 0 c 84 1.5 0.0 - 4 e 19 414 etot -8.7384E+01 mv 0 65 174 0 0 c 174 0.0 0.0 - 4 e 111 407 etot -8.4694E+01 mv 0 65 179 0 0 c 179 0.8 0.0 - -1 e 1 9 etot 6.4360E+22 mv 6 66 16 14 0 - 4 e 269 396 etot -8.7018E+01 mv 1 65 193 99 0 - -1 e 1 10 etot 1.3528E+20 mv 6 66 16 53 0 - -1 e 1 12 etot 1.3528E+20 mv 6 66 44 47 0 - 4 e 75 420 etot -8.7019E+01 mv 0 65 193 0 0 c 193 0.3 0.0 - 4 e 345 378 etot -8.9072E+01 mv 1 65 161 -196 0 c 161 47.9 0.4 - 4 e 438 383 etot -8.8678E+01 mv 1 65 196 82 0 - 4 e 53 416 etot -8.8687E+01 mv 0 65 161 0 0 - 4 e 552 364 etot -8.1796E+01 mv 1 65 200 -56 0 - -1 e 1 22 etot 1.3528E+20 mv 6 66 48 148 0 - 4 e 208 394 etot -8.7039E+01 mv 1 65 135 110 0 - 4 e 107 405 etot -8.8104E+01 mv 0 65 122 0 0 c 122 2.2 0.0 - 4 e 50 409 etot -9.0761E+01 mv 0 65 24 0 0 - 4 e 569 350 etot -8.8214E+01 mv 1 65 36 170 0 - 4 e 610 384 etot -8.7417E+01 mv 1 65 196 -130 0 c 25 278.5 0.1 - -1 e 1 26 etot 1.3528E+20 mv 6 66 48 162 0 - 4 e 111 401 etot -8.3543E+01 mv 0 65 16 0 0 - 4 e 222 390 etot -8.8097E+01 mv 1 65 124 -49 0 - 4 e 337 395 etot -8.7039E+01 mv 1 65 135 -199 0 - 4 e 18 14 etot -8.2974E+01 mv 6 66 44 166 0 c 166 0.0 0.0 - 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340 etot -8.9200E+01 mv 1 66 8 -9 0 - 4 e 343 332 etot -8.5843E+01 mv 1 66 85 -6 0 - 4 e 279 337 etot -8.9262E+01 mv 1 66 8 42 0 c 8 49.0 0.1 - 4 e 152 355 etot -8.8062E+01 mv 1 66 36 -33 0 - 4 e 185 351 etot -8.7420E+01 mv 1 66 36 133 0 - 4 e 180 353 etot -8.8215E+01 mv 1 66 36 -131 0 - 4 e 184 360 etot -8.8097E+01 mv 1 66 124 133 0 - 4 e 295 345 etot -8.8687E+01 mv 1 66 161 -172 0 - 4 e 174 361 etot -8.5822E+01 mv 1 66 174 -100 0 - 4 e 331 344 etot -8.0434E+01 mv 1 66 161 -7 0 - 4 e 186 365 etot -8.7383E+01 mv 1 66 174 -102 0 - 4 e 259 359 etot -8.8097E+01 mv 1 66 124 -22 0 - 4 e 198 367 etot -8.3423E+01 mv 1 66 41 151 0 - 4 e 200 368 etot -8.4196E+01 mv 1 66 41 -74 0 - 4 e 195 371 etot -8.7308E+01 mv 1 66 180 -134 0 - 4 e 262 348 etot -8.8359E+01 mv 1 66 139 38 0 - 4 e 494 336 etot -8.0453E+01 mv 1 66 8 -196 0 - 4 e 390 346 etot -8.8358E+01 mv 1 66 139 -104 0 - -1 e 1 387 etot 1.3528E+20 mv 1 66 96 -55 0 - 4 e 275 362 etot -7.7852E+01 mv 1 66 174 103 0 - 4 e 370 356 etot -7.9650E+01 mv 1 66 124 134 0 - 4 e 340 358 etot -8.7459E+01 mv 1 66 124 127 0 - -1 e 1 391 etot 1.3528E+20 mv 1 66 40 51 0 - 4 e 319 343 etot -8.8687E+01 mv 1 66 161 52 0 - 4 e 391 352 etot -8.4362E+01 mv 1 66 36 149 0 - 4 e 291 370 etot -8.4612E+01 mv 1 66 41 146 0 - 4 e 199 376 etot -8.5735E+01 mv 1 66 183 -153 0 - 4 e 301 372 etot -7.6441E+01 mv 1 66 180 -104 0 - 4 e 427 334 etot -7.6831E+01 mv 1 66 85 -118 0 - 4 e 219 378 etot -8.5414E+01 mv 1 66 183 -125 0 - 4 e 379 366 etot -8.7380E+01 mv 1 66 41 -137 0 - 4 e 515 347 etot -8.0833E+01 mv 1 66 139 -17 0 - 4 e 327 373 etot -8.1065E+01 mv 1 66 180 86 0 - 4 e 194 380 etot -8.7603E+01 mv 1 66 183 -116 0 - 4 e 242 379 etot -8.7603E+01 mv 1 66 183 -17 0 - 4 e 324 374 etot -8.7307E+01 mv 1 66 180 -32 0 - 4 e 217 381 etot -8.8827E+01 mv 1 66 196 180 0 c 196 49.4 0.1 - 4 e 389 375 etot -6.7009E+01 mv 1 66 180 39 0 - 4 e 93 403 etot -8.7356E+01 mv 0 66 48 0 0 - 4 e 2 408 etot -8.9201E+01 mv 0 66 8 0 0 - 4 e 16 407 etot -8.5924E+01 mv 0 66 85 0 0 c 85 0.0 0.0 - 4 e 157 395 etot -8.8154E+01 mv 1 66 40 -80 0 - 4 e 2 410 etot -8.8359E+01 mv 0 66 139 0 0 - 4 e 2 412 etot -8.8097E+01 mv 0 66 124 0 0 - 4 e 516 335 etot -7.1495E+01 mv 1 66 85 -179 0 - 4 e 119 401 etot -8.4523E+01 mv 0 66 16 0 0 c 16 0.5 0.0 - 4 e 576 331 etot -7.4717E+01 mv 1 66 85 141 0 - 4 e 14 411 etot -8.8216E+01 mv 0 66 36 0 0 c 36 0.0 0.0 - 4 e 2 417 etot -8.8680E+01 mv 0 66 196 0 0 - 4 e 2 416 etot -8.7603E+01 mv 0 66 183 0 0 - 4 e 10 414 etot -8.7381E+01 mv 0 66 41 0 0 c 41 0.0 0.0 -## N0 total= 22 close= 10 far= 0 %acc 45.5 -## N1 total= 98 close= 6 far= 0 %acc 6.1 -## N2 total= 100 close= 3 far= 0 %acc 3.0 -## N3 total= 0 close= 0 far= 0 %acc 0.0 -## N4 total= 0 close= 0 far= 0 %acc 0.0 -## N5 total= 0 close= 0 far= 0 %acc 0.0 -## N6 total= 200 close= 11 far= 1 %acc 6.0 -## N7 total= 0 close= 0 far= 0 %acc 0.0 -## N8 total= 0 close= 0 far= 0 %acc 0.0 -## N9 total= 0 close= 0 far= 0 %acc 0.0 -##N10 total= 0 close= 0 far= 0 %acc 0.0 -##N11 total= 0 close= 0 far= 0 %acc 0.0 -##N12 total= 0 close= 0 far= 0 %acc 0.0 -##N13 total= 0 close= 0 far= 0 %acc 0.0 -##N14 total= 0 close= 0 far= 0 %acc 0.0 -##N15 total= 0 close= 0 far= 0 %acc 0.0 -##N16 total= 0 close= 0 far= 0 %acc 0.0 -##N17 total= 0 close= 0 far= 0 %acc 0.0 -##N18 total= 0 close= 0 far= 0 %acc 0.0 - Time for refresh 67 0.28 - make_var : nseed= 20 ntry= 420 - Time for make trial 68 0.07 -Nonsetup time 133.38 sec, Eval/s = 64734.99 -Time for iter 68 2.41 sec, Eval/s = 49578.39 - UPDATING 420 - 4 e 133 404 etot -8.7444E+01 mv 0 66 92 0 0 c 92 0.9 0.0 - 4 e 344 382 etot -7.8405E+01 mv 1 66 196 -135 0 - 4 e 19 413 etot -8.7384E+01 mv 0 66 174 0 0 - 4 e 376 388 etot -8.7630E+01 mv 1 66 96 181 0 - 4 e 53 409 etot -8.8687E+01 mv 0 66 161 0 0 - 4 e 315 392 etot -6.6057E+01 mv 1 66 40 -121 0 - 4 e 273 386 etot -8.3653E+01 mv 1 66 96 143 0 - 4 e 470 389 etot -8.1771E+01 mv 1 66 96 12 0 - 4 e 620 354 etot -8.4205E+01 mv 1 66 36 -52 0 - 4 e 457 383 etot -8.4583E+01 mv 1 66 196 -112 0 - 4 e 79 418 etot 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etot -6.9783E+01 mv 1 67 196 -26 0 - 4 e 253 361 etot -7.5922E+01 mv 1 67 1 -59 0 - 4 e 277 341 etot -8.9074E+01 mv 1 67 161 -82 0 - 4 e 545 307 etot -8.7167E+01 mv 1 67 25 -172 0 - 4 e 414 342 etot -7.4838E+01 mv 1 67 161 -80 0 - 4 e 212 366 etot -7.5387E+01 mv 1 67 124 47 0 - 4 e 358 354 etot -8.2546E+01 mv 1 67 98 64 0 - 4 e 256 356 etot -8.1538E+01 mv 1 67 36 -159 0 - 4 e 566 337 etot -7.7645E+01 mv 1 67 150 -84 0 - 4 e 204 368 etot -8.8097E+01 mv 1 67 124 103 0 - 4 e 236 367 etot -8.8097E+01 mv 1 67 124 85 0 - 4 e 410 355 etot -8.6133E+01 mv 1 67 98 -138 0 - 4 e 502 343 etot -7.2138E+01 mv 1 67 161 -86 0 - 4 e 305 362 etot -7.2981E+01 mv 1 67 1 -113 0 - -1 e 1 394 etot 1.3528E+20 mv 1 67 180 -77 0 - 4 e 454 353 etot -8.6132E+01 mv 1 67 98 40 0 - 4 e 277 357 etot -8.8215E+01 mv 1 67 36 -20 0 - 4 e 326 363 etot -8.8115E+01 mv 1 67 1 -29 0 - 4 e 409 358 etot -8.2523E+01 mv 1 67 36 109 0 - 4 e 162 379 etot -6.9427E+01 mv 1 67 200 2 0 - 4 e 247 369 etot -8.7346E+01 mv 1 67 124 -69 0 - 4 e 194 378 etot -8.7592E+01 mv 1 67 200 67 0 - 4 e 131 386 etot -8.7383E+01 mv 1 67 174 165 0 - 4 e 253 376 etot -8.7346E+01 mv 1 67 200 -145 0 - 4 e 281 365 etot -8.8114E+01 mv 1 67 1 195 0 - 4 e 236 381 etot -8.8050E+01 mv 1 67 88 200 0 - 4 e 224 385 etot -8.7356E+01 mv 1 67 88 157 0 - 4 e 120 388 etot -8.7383E+01 mv 1 67 174 81 0 - 4 e 131 401 etot -8.9262E+01 mv 0 67 8 0 0 c 8 0.6 0.0 - 4 e 175 383 etot -8.8050E+01 mv 1 67 88 -116 0 - 4 e 165 392 etot -8.7308E+01 mv 1 67 180 96 0 - 4 e 305 377 etot -8.7591E+01 mv 1 67 200 96 0 - 4 e 114 403 etot -8.5115E+01 mv 0 67 43 0 0 c 43 1.4 0.0 - 4 e 121 402 etot -8.7420E+01 mv 0 67 25 0 0 c 25 1.5 0.0 - 4 e 2 413 etot -8.8115E+01 mv 0 67 1 0 0 - 4 e 175 395 etot -8.7308E+01 mv 1 67 180 -29 0 - 4 e 2 414 etot -8.8097E+01 mv 0 67 124 0 0 - 4 e 14 416 etot -8.7592E+01 mv 0 67 200 0 0 c 200 0.0 0.0 - 4 e 47 412 etot -8.8216E+01 mv 0 67 36 0 0 c 36 0.2 0.0 - 4 e 26 417 etot -8.8050E+01 mv 0 67 88 0 0 c 88 0.0 0.0 -## N0 total= 18 close= 12 far= 0 %acc 66.7 -## N1 total= 102 close= 5 far= 0 %acc 4.9 -## N2 total= 100 close= 5 far= 0 %acc 5.0 -## N3 total= 0 close= 0 far= 0 %acc 0.0 -## N4 total= 0 close= 0 far= 0 %acc 0.0 -## N5 total= 0 close= 0 far= 0 %acc 0.0 -## N6 total= 200 close= 15 far= 0 %acc 7.5 -## N7 total= 0 close= 0 far= 0 %acc 0.0 -## N8 total= 0 close= 0 far= 0 %acc 0.0 -## N9 total= 0 close= 0 far= 0 %acc 0.0 -##N10 total= 0 close= 0 far= 0 %acc 0.0 -##N11 total= 0 close= 0 far= 0 %acc 0.0 -##N12 total= 0 close= 0 far= 0 %acc 0.0 -##N13 total= 0 close= 0 far= 0 %acc 0.0 -##N14 total= 0 close= 0 far= 0 %acc 0.0 -##N15 total= 0 close= 0 far= 0 %acc 0.0 -##N16 total= 0 close= 0 far= 0 %acc 0.0 -##N17 total= 0 close= 0 far= 0 %acc 0.0 -##N18 total= 0 close= 0 far= 0 %acc 0.0 - Time for refresh 68 0.41 - make_var : nseed= 20 ntry= 420 - Time for make trial 69 0.05 -Nonsetup time 135.35 sec, Eval/s = 64709.94 -Time for iter 69 1.97 sec, Eval/s = 63012.57 - UPDATING 420 - 4 e 499 391 etot -8.6567E+01 mv 1 67 180 189 0 - 4 e 472 372 etot -8.8102E+01 mv 1 67 122 -184 0 - 4 e 56 411 etot -8.6134E+01 mv 0 67 98 0 0 - 4 e 259 393 etot -8.5823E+01 mv 1 67 180 -187 0 - 4 e 345 389 etot -8.5021E+01 mv 1 67 174 -67 0 - 4 e 143 406 etot -8.7893E+01 mv 0 67 59 0 0 c 59 1.7 0.0 - 4 e 392 382 etot -8.7048E+01 mv 1 67 88 -184 0 - 4 e 455 399 etot -8.8645E+01 mv 1 67 96 29 0 - 4 e 31 419 etot -8.7309E+01 mv 0 67 180 0 0 - 4 e 200 398 etot -8.8647E+01 mv 1 67 96 -111 0 - 4 e 505 400 etot -7.4619E+01 mv 1 67 96 -113 0 - 4 e 435 390 etot -7.9381E+01 mv 1 67 174 -91 0 - 4 e 336 396 etot -8.7548E+01 mv 1 67 96 -113 0 - 4 e 723 375 etot -8.6841E+01 mv 1 67 122 10 0 - -1 e 1 4 etot 1.3528E+20 mv 6 68 104 29 0 - 4 e 79 420 etot -8.8647E+01 mv 0 67 96 0 0 - 4 e 464 387 etot -7.7834E+01 mv 1 67 174 115 0 - 4 e 41 415 etot -8.8104E+01 mv 0 67 122 0 0 c 122 0.1 0.0 - 4 e 138 409 etot -8.9075E+01 mv 0 67 161 0 0 c 161 2.2 0.0 - 4 e 25 418 etot -8.7384E+01 mv 0 67 174 0 0 c 174 0.0 0.0 - 4 e 91 407 etot -8.2913E+01 mv 0 67 60 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-7.9065E+01 mv 1 68 124 25 0 - 4 e 629 334 etot -8.2119E+01 mv 1 68 101 -200 0 - 4 e 133 378 etot -8.7383E+01 mv 1 68 174 45 0 - 4 e 296 353 etot -8.5958E+01 mv 1 68 1 -141 0 - 4 e 262 373 etot -8.7592E+01 mv 1 68 200 114 0 - 4 e 166 379 etot -8.5459E+01 mv 1 68 174 -160 0 - 4 e 356 364 etot -8.6624E+01 mv 1 68 48 90 0 - 4 e 261 376 etot -7.3847E+01 mv 1 68 174 -97 0 - 4 e 321 356 etot -8.8097E+01 mv 1 68 124 -47 0 - 4 e 533 351 etot -8.8112E+01 mv 1 68 1 -2 0 - 4 e 327 374 etot -7.9411E+01 mv 1 68 200 92 0 - 4 e 380 366 etot -8.7602E+01 mv 1 68 183 84 0 - 4 e 488 355 etot -8.2435E+01 mv 1 68 1 -16 0 - 4 e 476 357 etot -7.2440E+01 mv 1 68 124 143 0 - 4 e 385 369 etot -8.7603E+01 mv 1 68 183 109 0 - 4 e 486 336 etot -8.9261E+01 mv 1 68 8 -110 0 - 4 e 202 384 etot -7.4077E+01 mv 1 68 41 -162 0 - 4 e 275 375 etot -6.6528E+01 mv 1 68 200 -186 0 - 4 e 205 385 etot -8.6680E+01 mv 1 68 41 144 0 - 4 e 2 409 etot -8.8359E+01 mv 0 68 139 0 0 - 4 e 9 410 etot -8.8216E+01 mv 0 68 36 0 0 c 36 0.0 0.0 - 4 e 2 411 etot -8.8115E+01 mv 0 68 1 0 0 - 4 e 18 408 etot -8.9262E+01 mv 0 68 8 0 0 c 8 0.0 0.0 - 4 e 2 412 etot -8.8097E+01 mv 0 68 124 0 0 - 4 e 2 414 etot -8.7603E+01 mv 0 68 183 0 0 - 4 e 297 380 etot -7.6169E+01 mv 1 68 174 -57 0 - 4 e 189 392 etot -8.7217E+01 mv 1 68 38 141 0 - 4 e 10 415 etot -8.7592E+01 mv 0 68 200 0 0 c 200 0.0 0.0 - 4 e 2 417 etot -8.7381E+01 mv 0 68 41 0 0 - 4 e 216 388 etot -8.6237E+01 mv 1 68 122 3 0 -## N0 total= 20 close= 11 far= 0 %acc 55.0 -## N1 total= 100 close= 2 far= 0 %acc 2.0 -## N2 total= 100 close= 4 far= 0 %acc 4.0 -## N3 total= 0 close= 0 far= 0 %acc 0.0 -## N4 total= 0 close= 0 far= 0 %acc 0.0 -## N5 total= 0 close= 0 far= 0 %acc 0.0 -## N6 total= 200 close= 10 far= 1 %acc 5.5 -## N7 total= 0 close= 0 far= 0 %acc 0.0 -## N8 total= 0 close= 0 far= 0 %acc 0.0 -## N9 total= 0 close= 0 far= 0 %acc 0.0 -##N10 total= 0 close= 0 far= 0 %acc 0.0 -##N11 total= 0 close= 0 far= 0 %acc 0.0 -##N12 total= 0 close= 0 far= 0 %acc 0.0 -##N13 total= 0 close= 0 far= 0 %acc 0.0 -##N14 total= 0 close= 0 far= 0 %acc 0.0 -##N15 total= 0 close= 0 far= 0 %acc 0.0 -##N16 total= 0 close= 0 far= 0 %acc 0.0 -##N17 total= 0 close= 0 far= 0 %acc 0.0 -##N18 total= 0 close= 0 far= 0 %acc 0.0 - Time for refresh 69 0.29 - make_var : nseed= 20 ntry= 420 - Time for make trial 70 0.10 -Nonsetup time 137.18 sec, Eval/s = 64701.89 -Time for iter 70 1.82 sec, Eval/s = 64104.70 - UPDATING 420 - 4 e 116 404 etot -8.9790E+01 mv 0 68 152 0 0 c 152 1.4 0.0 - 4 e 262 391 etot -8.4694E+01 mv 1 68 38 42 0 - 4 e 229 389 etot -8.6629E+01 mv 1 68 122 165 0 - 4 e 45 420 etot -8.7212E+01 mv 0 68 79 0 0 c 79 0.5 0.0 - 4 e 219 401 etot -9.2302E+01 mv 0 68 104 0 0 c 104 1.1 0.0 - -1 e 1 3 etot 1.3528E+20 mv 6 69 13 33 0 - -1 e 1 4 etot 1.3528E+20 mv 6 69 13 171 0 - -1 e 1 5 etot 4.4374E+24 mv 6 69 13 196 0 - 4 e 357 398 etot -8.7211E+01 mv 1 68 79 -74 0 - 4 e 135 405 etot -8.4228E+01 mv 0 68 172 0 0 - 4 e 214 390 etot -8.8104E+01 mv 1 68 122 180 0 - 4 e 41 418 etot -8.8104E+01 mv 0 68 122 0 0 - 4 e 241 393 etot -8.7216E+01 mv 1 68 38 -142 0 - 4 e 185 396 etot -8.7211E+01 mv 1 68 79 -15 0 - 4 e 71 407 etot -8.8207E+01 mv 0 68 101 0 0 c 101 0.4 0.0 - 4 e 526 362 etot -7.8290E+01 mv 1 68 48 -188 0 - 4 e 113 403 etot -8.5677E+01 mv 0 68 149 0 0 c 149 1.4 0.0 - 4 e 25 416 etot -8.7384E+01 mv 0 68 174 0 0 - 4 e 2 419 etot -8.7217E+01 mv 0 68 38 0 0 - 4 e 414 397 etot -7.7105E+01 mv 1 68 79 178 0 - 4 e 327 383 etot -8.5287E+01 mv 1 68 41 -172 0 - 4 e 239 395 etot -8.7086E+01 mv 1 68 38 93 0 - 4 e 418 377 etot -7.1158E+01 mv 1 68 174 -18 0 - 4 e 381 387 etot -6.6932E+01 mv 1 68 122 -8 0 - 4 e 180 400 etot -8.7211E+01 mv 1 68 79 167 0 - 4 e 140 402 etot -8.6567E+01 mv 0 68 147 0 0 - 4 e 247 381 etot -8.4104E+01 mv 1 68 41 -150 0 - 4 e 666 340 etot -8.4453E+01 mv 1 68 8 -81 0 - -1 e 1 20 etot 1.3528E+20 mv 6 69 33 198 0 - 4 e 153 406 etot -8.8871E+01 mv 0 68 196 0 0 c 196 1.2 0.0 - 4 e 82 413 etot -8.7656E+01 mv 0 68 48 0 0 c 48 0.5 0.0 - 4 e 438 352 etot 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mv 2 69 174 -47 0 - 4 e 285 248 etot -7.1185E+01 mv 2 69 1 190 0 - 4 e 427 243 etot -8.9260E+01 mv 2 69 8 -68 0 - 4 e 182 269 etot -6.8117E+01 mv 2 69 183 -39 0 - 4 e 461 250 etot -8.4513E+01 mv 2 69 1 -43 0 - 4 e 273 263 etot -7.9911E+01 mv 2 69 36 -102 0 - 4 e 188 264 etot -7.5140E+01 mv 2 69 36 178 0 - -1 e 1 287 etot 1.3528E+20 mv 2 69 139 -195 0 - 4 e 190 275 etot -8.8097E+01 mv 2 69 124 34 0 - 4 e 433 253 etot -8.0480E+01 mv 2 69 200 -73 0 - 4 e 150 278 etot -7.9068E+01 mv 2 69 174 -124 0 - 4 e 513 247 etot -7.4588E+01 mv 2 69 1 13 0 - 4 e 530 218 etot -8.7305E+01 mv 2 69 104 -127 0 - -1 e 1 293 etot 1.3528E+20 mv 2 69 79 125 0 - 4 e 538 246 etot -6.8858E+01 mv 2 69 1 -51 0 - 4 e 259 272 etot -7.1420E+01 mv 2 69 124 -119 0 - 4 e 230 276 etot -7.5792E+01 mv 2 69 174 -152 0 - 4 e 322 265 etot -8.0335E+01 mv 2 69 36 105 0 - 4 e 488 255 etot -8.6445E+01 mv 2 69 200 -5 0 - 4 e 355 266 etot -8.7602E+01 mv 2 69 183 95 0 - 4 e 302 273 etot -8.7459E+01 mv 2 69 124 192 0 - 4 e 152 282 etot 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297 etot -6.8660E+01 mv 2 69 97 -57 0 - -1 e 1 323 etot 1.3528E+20 mv 1 69 147 -165 0 - 4 e 331 285 etot -7.4071E+01 mv 2 69 38 133 0 - 4 e 224 288 etot -7.4084E+01 mv 2 69 139 130 0 - 4 e 506 274 etot -7.5115E+01 mv 2 69 124 -99 0 - 4 e 502 277 etot -6.8866E+01 mv 2 69 174 -118 0 - -1 e 1 328 etot 1.3528E+20 mv 1 69 150 -86 0 - 8 e 29 327 etot -6.3985E+01 mv 1 69 150 -52 0 - 4 e 389 291 etot -8.2170E+01 mv 2 69 79 -149 0 - 4 e 288 301 etot -6.8120E+01 mv 1 69 13 -75 0 - 4 e 241 304 etot -8.5959E+01 mv 1 69 13 -5 0 - 4 e 543 281 etot -8.1836E+01 mv 2 69 38 21 0 - 4 e 318 300 etot -8.4022E+01 mv 2 69 97 105 0 - 4 e 679 270 etot -8.3997E+01 mv 2 69 183 -110 0 - 4 e 425 292 etot -7.7558E+01 mv 2 69 79 21 0 - 4 e 222 313 etot -6.6963E+01 mv 1 69 40 -12 0 - 4 e 429 298 etot -7.4804E+01 mv 2 69 97 -188 0 - 4 e 489 290 etot -8.1942E+01 mv 2 69 139 -178 0 - 4 e 258 314 etot -9.0052E+01 mv 1 69 40 -2 0 c 40 52.4 0.5 - 8 e 55 337 etot -6.3990E+01 mv 1 69 145 -164 0 - 4 e 198 310 etot -8.3549E+01 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-117 0 - 4 e 243 362 etot -8.8215E+01 mv 1 69 36 51 0 - 4 e 158 365 etot -8.8215E+01 mv 1 69 36 42 0 - 4 e 178 368 etot -8.7603E+01 mv 1 69 183 -46 0 - 4 e 365 352 etot -8.7591E+01 mv 1 69 200 161 0 - -1 e 1 387 etot 1.3528E+20 mv 1 69 139 -84 0 - 4 e 307 358 etot -8.8871E+01 mv 1 69 196 -70 0 - 4 e 440 347 etot -8.0961E+01 mv 1 69 1 -49 0 - 4 e 344 343 etot -8.9257E+01 mv 1 69 8 77 0 - 4 e 443 351 etot -8.7591E+01 mv 1 69 200 -119 0 - 4 e 109 380 etot -8.7383E+01 mv 1 69 174 54 0 - 4 e 124 381 etot -8.7217E+01 mv 1 69 38 192 0 - 4 e 573 344 etot -8.6431E+01 mv 1 69 8 13 0 - 4 e 168 376 etot -8.6516E+01 mv 1 69 174 -1 0 - 4 e 123 386 etot -8.8359E+01 mv 1 69 139 49 0 - 4 e 469 354 etot -8.7591E+01 mv 1 69 200 -140 0 - 4 e 318 357 etot -7.4065E+01 mv 1 69 196 107 0 - 4 e 249 372 etot -8.8097E+01 mv 1 69 124 90 0 - 4 e 211 375 etot -8.7839E+01 mv 1 69 124 172 0 - 4 e 181 378 etot -8.7383E+01 mv 1 69 174 94 0 - 4 e 218 379 etot -8.7383E+01 mv 1 69 174 176 0 - 4 e 439 364 etot -8.8214E+01 mv 1 69 36 -150 0 - 4 e 724 303 etot -8.6195E+01 mv 1 69 13 -161 0 - 4 e 347 371 etot -8.4632E+01 mv 1 69 124 40 0 - 4 e 286 367 etot -8.2185E+01 mv 1 69 183 112 0 - 4 e 70 402 etot -8.4998E+01 mv 0 69 33 0 0 - 4 e 183 383 etot -6.7995E+01 mv 1 69 38 134 0 - 4 e 145 393 etot -8.7211E+01 mv 1 69 79 128 0 - 4 e 2 410 etot -8.8115E+01 mv 0 69 1 0 0 - 4 e 12 411 etot -8.7592E+01 mv 0 69 200 0 0 c 200 0.0 0.0 - 4 e 562 359 etot -7.7768E+01 mv 1 69 196 178 0 - 4 e 150 391 etot -7.6786E+01 mv 1 69 79 -176 0 - 4 e 100 401 etot -8.6196E+01 mv 0 69 13 0 0 c 13 0.7 0.0 - 4 e 16 409 etot -8.9262E+01 mv 0 69 8 0 0 c 8 0.0 0.0 - 4 e 2 413 etot -8.8216E+01 mv 0 69 36 0 0 - 4 e 335 373 etot -8.2799E+01 mv 1 69 124 -159 0 - 4 e 2 415 etot -8.8097E+01 mv 0 69 124 0 0 - 4 e 2 414 etot -8.7603E+01 mv 0 69 183 0 0 -## N0 total= 20 close= 10 far= 0 %acc 50.0 -## N1 total= 100 close= 4 far= 0 %acc 4.0 -## N2 total= 100 close= 3 far= 0 %acc 3.0 -## N3 total= 0 close= 0 far= 0 %acc 0.0 -## N4 total= 0 close= 0 far= 0 %acc 0.0 -## N5 total= 0 close= 0 far= 0 %acc 0.0 -## N6 total= 200 close= 9 far= 0 %acc 4.5 -## N7 total= 0 close= 0 far= 0 %acc 0.0 -## N8 total= 0 close= 0 far= 0 %acc 0.0 -## N9 total= 0 close= 0 far= 0 %acc 0.0 -##N10 total= 0 close= 0 far= 0 %acc 0.0 -##N11 total= 0 close= 0 far= 0 %acc 0.0 -##N12 total= 0 close= 0 far= 0 %acc 0.0 -##N13 total= 0 close= 0 far= 0 %acc 0.0 -##N14 total= 0 close= 0 far= 0 %acc 0.0 -##N15 total= 0 close= 0 far= 0 %acc 0.0 -##N16 total= 0 close= 0 far= 0 %acc 0.0 -##N17 total= 0 close= 0 far= 0 %acc 0.0 -##N18 total= 0 close= 0 far= 0 %acc 0.0 - Time for refresh 70 0.79 - make_var : nseed= 20 ntry= 420 - Time for make trial 71 0.04 -Nonsetup time 139.56 sec, Eval/s = 64490.90 -Time for iter 71 2.39 sec, Eval/s = 52364.36 - UPDATING 420 - 4 e 67 408 etot -8.5361E+01 mv 0 69 145 0 0 c 145 0.2 0.0 - 4 e 2 418 etot -8.8359E+01 mv 0 69 139 0 0 - 4 e 609 361 etot -7.3924E+01 mv 1 69 36 57 0 - 4 e 209 394 etot -8.4139E+01 mv 1 69 79 -70 0 - 4 e 95 404 etot -9.2303E+01 mv 0 69 104 0 0 c 104 0.5 0.0 - -1 e 1 1 etot 1.3528E+20 mv 6 70 33 149 0 - -1 e 1 2 etot 1.3528E+20 mv 6 70 33 7 0 - 4 e 136 400 etot -8.7140E+01 mv 1 69 97 157 0 - 4 e 48 419 etot -8.7212E+01 mv 0 69 79 0 0 c 79 0.3 0.0 - 4 e 74 412 etot -8.8871E+01 mv 0 69 196 0 0 c 196 0.7 0.0 - 4 e 480 366 etot -8.7424E+01 mv 1 69 183 -13 0 - 4 e 102 406 etot -8.6031E+01 mv 0 69 150 0 0 c 150 0.9 0.0 - 4 e 434 397 etot -8.6700E+01 mv 1 69 97 -82 0 - 4 e 307 395 etot -8.6135E+01 mv 1 69 79 122 0 - -1 e 1 7 etot 1.3528E+20 mv 6 70 33 164 0 - 4 e 247 398 etot -8.7139E+01 mv 1 69 97 195 0 - 4 e 416 384 etot -6.9684E+01 mv 1 69 38 -90 0 - 4 e 266 392 etot -6.7800E+01 mv 1 69 79 66 0 - 4 e 2 417 etot -8.7217E+01 mv 0 69 38 0 0 - 4 e 572 369 etot -8.5278E+01 mv 1 69 183 -149 0 - 4 e 342 396 etot -8.0872E+01 mv 1 69 97 -154 0 - -1 e 1 13 etot 1.3528E+20 mv 6 70 40 123 0 - 4 e 434 389 etot -7.6115E+01 mv 1 69 139 134 0 - 4 e 577 377 etot -8.5633E+01 mv 1 69 174 -9 0 - 4 e 351 388 etot -7.4574E+01 mv 1 69 139 -46 0 - 4 e 247 390 etot -8.8359E+01 mv 1 69 139 72 0 - 4 e 160 403 etot -8.9559E+01 mv 0 69 40 0 0 - 4 e 119 405 etot -8.6713E+01 mv 0 69 147 0 0 c 147 1.4 0.0 - 4 e 329 370 etot -8.7603E+01 mv 1 69 183 144 0 - 4 e 71 407 etot -8.4814E+01 mv 0 69 172 0 0 c 172 0.6 0.0 - 4 e 296 385 etot -8.7216E+01 mv 1 69 38 47 0 - 4 e 399 374 etot -8.8096E+01 mv 1 69 124 167 0 - 4 e 74 420 etot -8.7140E+01 mv 0 69 97 0 0 c 97 0.5 0.0 - 4 e 166 399 etot -8.7140E+01 mv 1 69 97 126 0 - 4 e 10 416 etot -8.7384E+01 mv 0 69 174 0 0 c 174 0.0 0.0 - -1 e 1 34 etot 1.3528E+20 mv 6 70 153 167 0 - 4 e 108 25 etot -6.0771E+01 mv 6 70 95 1 0 - 4 e 151 27 etot -5.9723E+01 mv 6 70 95 146 0 - 4 e 272 5 etot -8.6229E+01 mv 6 70 33 136 0 c 33 3.2 0.0 - 4 e 146 15 etot -7.7178E+01 mv 6 70 40 184 0 - 4 e 251 3 etot -8.8206E+01 mv 6 70 33 101 0 - 4 e 169 32 etot -7.3454E+01 mv 6 70 153 109 0 - 4 e 223 8 etot -7.5956E+01 mv 6 70 33 172 0 - 4 e 166 35 etot -8.4981E+01 mv 6 70 153 129 0 - 4 e 337 4 etot -8.2773E+01 mv 6 70 33 67 0 - 4 e 216 36 etot -8.8055E+01 mv 6 70 153 139 0 c 153 4.1 0.0 - 4 e 233 17 etot -9.0025E+01 mv 6 70 40 105 0 - -1 e 1 47 etot 1.3528E+20 mv 6 70 184 102 0 - 4 e 143 39 etot -7.3976E+01 mv 6 70 153 6 0 - 4 e 240 14 etot -7.8843E+01 mv 6 70 40 131 0 - 4 e 260 19 etot -7.6242E+01 mv 6 70 40 20 0 - 4 e 365 9 etot -8.4185E+01 mv 6 70 33 149 0 - 4 e 290 26 etot -8.0855E+01 mv 6 70 95 59 0 - 4 e 310 33 etot -8.2527E+01 mv 6 70 153 69 0 - 4 e 350 23 etot -8.5228E+01 mv 6 70 95 192 0 c 95 73.6 0.4 - 4 e 198 40 etot -8.8055E+01 mv 6 70 153 127 0 c 153 1.3 0.0 - 4 e 352 20 etot -8.0587E+01 mv 6 70 40 134 0 - 4 e 275 43 etot -7.9674E+01 mv 6 70 184 165 0 - 4 e 144 52 etot -6.7013E+01 mv 6 70 193 174 0 - -1 e 1 59 etot 1.3528E+20 mv 6 70 193 190 0 - 4 e 366 6 etot -7.9586E+01 mv 6 70 33 85 0 - 4 e 382 12 etot -8.7699E+01 mv 6 70 40 48 0 c 48 64.5 0.0 - 4 e 344 18 etot -8.0347E+01 mv 6 70 40 102 0 - 4 e 188 31 etot -8.8055E+01 mv 6 70 153 96 0 c 153 0.8 0.0 - 4 e 383 22 etot -7.6260E+01 mv 6 70 95 47 0 - -1 e 1 65 etot 1.3528E+20 mv 6 70 64 27 0 - -1 e 1 66 etot 1.3528E+20 mv 6 70 64 85 0 - 4 e 250 42 etot -8.4042E+01 mv 6 70 184 31 0 - 4 e 402 45 etot -7.6505E+01 mv 6 70 184 164 0 - 4 e 283 41 etot -8.4299E+01 mv 6 70 184 43 0 c 184 1.3 0.0 - 4 e 308 38 etot -8.9058E+01 mv 6 70 153 161 0 - 4 e 266 46 etot -8.4343E+01 mv 6 70 184 65 0 - 4 e 242 48 etot -8.4358E+01 mv 6 70 184 140 0 - 4 e 378 49 etot -6.9626E+01 mv 6 70 184 19 0 - -1 e 1 74 etot 1.3528E+20 mv 6 70 8 147 0 - 4 e 225 53 etot -8.5741E+01 mv 6 70 193 150 0 - 4 e 340 51 etot -8.7357E+01 mv 6 70 193 113 0 c 193 90.2 0.2 - 4 e 293 60 etot -8.4287E+01 mv 6 70 193 110 0 - 4 e 313 50 etot -8.0493E+01 mv 6 70 184 61 0 - 4 e 323 55 etot -8.4666E+01 mv 6 70 193 105 0 - -1 e 1 80 etot 1.3528E+20 mv 6 70 8 54 0 - 4 e 565 11 etot -8.8348E+01 mv 6 70 40 133 0 - 4 e 293 29 etot -7.7594E+01 mv 6 70 95 155 0 - 4 e 698 21 etot -8.0780E+01 mv 6 70 95 74 0 - 4 e 604 24 etot -6.8253E+01 mv 6 70 95 42 0 - 4 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etot -8.2811E+01 mv 0 70 64 0 0 c 64 0.1 0.0 - 4 e 497 364 etot -8.7654E+01 mv 1 70 48 -107 0 - 4 e 346 377 etot -8.8144E+01 mv 1 70 167 40 0 -## N0 total= 21 close= 13 far= 0 %acc 61.9 -## N1 total= 99 close= 1 far= 0 %acc 1.0 -## N2 total= 100 close= 1 far= 0 %acc 1.0 -## N3 total= 0 close= 0 far= 0 %acc 0.0 -## N4 total= 0 close= 0 far= 0 %acc 0.0 -## N5 total= 0 close= 0 far= 0 %acc 0.0 -## N6 total= 200 close= 10 far= 1 %acc 5.5 -## N7 total= 0 close= 0 far= 0 %acc 0.0 -## N8 total= 0 close= 0 far= 0 %acc 0.0 -## N9 total= 0 close= 0 far= 0 %acc 0.0 -##N10 total= 0 close= 0 far= 0 %acc 0.0 -##N11 total= 0 close= 0 far= 0 %acc 0.0 -##N12 total= 0 close= 0 far= 0 %acc 0.0 -##N13 total= 0 close= 0 far= 0 %acc 0.0 -##N14 total= 0 close= 0 far= 0 %acc 0.0 -##N15 total= 0 close= 0 far= 0 %acc 0.0 -##N16 total= 0 close= 0 far= 0 %acc 0.0 -##N17 total= 0 close= 0 far= 0 %acc 0.0 -##N18 total= 0 close= 0 far= 0 %acc 0.0 - Time for refresh 71 0.26 - make_var : nseed= 20 ntry= 420 - Time for make trial 72 0.06 -Nonsetup time 141.32 sec, Eval/s = 64552.13 -Time for iter 72 1.76 sec, Eval/s = 69413.55 - UPDATING 420 - 4 e 509 391 etot -8.7215E+01 mv 1 70 38 -90 0 - 4 e 684 387 etot -7.8085E+01 mv 1 70 180 -120 0 - 4 e 53 412 etot -8.8050E+01 mv 0 70 88 0 0 c 88 0.1 0.0 - 4 e 133 403 etot -8.4876E+01 mv 0 70 95 0 0 - 4 e 10 417 etot -8.7384E+01 mv 0 70 174 0 0 - 4 e 245 392 etot -8.0593E+01 mv 1 70 38 -21 0 - 4 e 12 418 etot -8.7309E+01 mv 0 70 180 0 0 c 180 0.0 0.0 - 4 e 423 397 etot -8.6611E+01 mv 1 70 79 147 0 - 4 e 33 420 etot -8.7212E+01 mv 0 70 79 0 0 - 4 e 281 393 etot -8.7114E+01 mv 1 70 38 121 0 - 4 e 90 404 etot -8.8055E+01 mv 0 70 153 0 0 c 153 0.9 0.0 - 4 e 102 405 etot -8.4299E+01 mv 0 70 184 0 0 c 184 0.5 0.0 - 4 e 240 390 etot -8.7308E+01 mv 1 70 180 149 0 - 4 e 502 371 etot -8.7590E+01 mv 1 70 200 39 0 - 4 e 60 413 etot -8.7656E+01 mv 0 70 48 0 0 - 4 e 104 406 etot -8.7207E+01 mv 0 70 193 0 0 - 4 e 470 384 etot -7.3846E+01 mv 1 70 174 169 0 - 4 e 151 400 etot -8.7211E+01 mv 1 70 79 3 0 - 4 e 530 372 etot -8.0491E+01 mv 1 70 200 189 0 - 4 e 2 419 etot -8.7217E+01 mv 0 70 38 0 0 - 4 e 286 386 etot -8.7279E+01 mv 1 70 180 -9 0 - 4 e 403 379 etot -8.3059E+01 mv 1 70 167 79 0 - 4 e 245 398 etot -8.7211E+01 mv 1 70 79 78 0 - 4 e 335 388 etot -7.8616E+01 mv 1 70 180 -156 0 - 4 e 25 416 etot -8.8147E+01 mv 0 70 167 0 0 c 167 0.1 0.0 - 4 e 393 361 etot -7.8223E+01 mv 1 70 48 -52 0 - 4 e 472 399 etot -8.0868E+01 mv 1 70 79 -133 0 - 4 e 229 383 etot -8.6924E+01 mv 1 70 174 -32 0 - -1 e 1 19 etot 1.3528E+20 mv 6 71 40 97 0 - 4 e 267 395 etot -6.9097E+01 mv 1 70 38 -56 0 - -1 e 1 21 etot 1.3528E+20 mv 6 71 48 127 0 - -1 e 1 23 etot 1.3528E+20 mv 6 71 48 90 0 - 4 e 234 396 etot -7.9166E+01 mv 1 70 79 -68 0 - -1 e 1 24 etot 1.3528E+20 mv 6 71 48 13 0 - 4 e 223 394 etot -8.7121E+01 mv 1 70 38 124 0 - -1 e 1 27 etot 1.3528E+20 mv 6 71 48 36 0 - -1 e 1 8 etot 1.3528E+20 mv 6 71 5 181 0 - -1 e 1 15 etot 1.3528E+20 mv 6 71 40 143 0 - 4 e 112 2 etot -8.3626E+01 mv 6 71 5 175 0 c 175 0.9 0.0 - 4 e 177 36 etot -7.1026E+01 mv 6 71 95 7 0 - 4 e 190 31 etot -6.7030E+01 mv 6 71 95 21 0 - 4 e 213 9 etot -8.5901E+01 mv 6 71 5 186 0 c 5 2.3 0.0 - 4 e 239 35 etot -8.5229E+01 mv 6 71 95 47 0 c 95 3.8 0.0 - 4 e 240 6 etot -8.4410E+01 mv 6 71 5 40 0 - 4 e 255 12 etot -7.4376E+01 mv 6 71 40 17 0 - 4 e 263 16 etot -8.0134E+01 mv 6 71 40 87 0 - 4 e 259 10 etot -8.5901E+01 mv 6 71 5 88 0 - 4 e 271 14 etot -9.2302E+01 mv 6 71 40 170 0 - 4 e 311 7 etot -8.6875E+01 mv 6 71 5 51 0 - 4 e 333 4 etot -7.4275E+01 mv 6 71 5 88 0 - 4 e 335 1 etot -8.5883E+01 mv 6 71 5 194 0 - 4 e 324 18 etot -8.5045E+01 mv 6 71 40 28 0 - 4 e 349 13 etot -7.5320E+01 mv 6 71 40 22 0 - 4 e 385 5 etot -8.5900E+01 mv 6 71 5 192 0 - 4 e 342 20 etot -9.0051E+01 mv 6 71 40 80 0 - 4 e 359 34 etot -8.3898E+01 mv 6 71 95 101 0 - 4 e 349 25 etot -8.0110E+01 mv 6 71 48 95 0 - 4 e 160 42 etot -7.4032E+01 mv 6 71 177 103 0 - 4 e 414 17 etot -6.6435E+01 mv 6 71 40 99 0 - 4 e 389 3 etot -8.9908E+01 mv 6 71 5 116 0 - 4 e 412 37 etot -8.1237E+01 mv 6 71 95 119 0 - 4 e 399 38 etot -8.1346E+01 mv 6 71 95 11 0 - 4 e 445 11 etot -8.1489E+01 mv 6 71 40 70 0 - 4 e 174 46 etot -8.2130E+01 mv 6 71 177 39 0 - 4 e 473 28 etot -8.2295E+01 mv 6 71 48 13 0 - -1 e 1 65 etot 1.3528E+20 mv 6 71 48 37 0 - 4 e 477 33 etot -7.7734E+01 mv 6 71 95 183 0 - 4 e 247 49 etot -8.9262E+01 mv 6 71 177 134 0 - 4 e 244 43 etot -8.1103E+01 mv 6 71 177 180 0 - -1 e 1 69 etot 1.3528E+20 mv 6 71 48 183 0 - 4 e 11 70 etot -8.4094E+01 mv 6 71 48 114 0 c 114 0.0 0.0 - 4 e 146 56 etot -6.5327E+01 mv 6 71 193 41 0 - -1 e 1 71 etot 1.3528E+20 mv 6 71 24 115 0 - 4 e 414 39 etot -8.6305E+01 mv 6 71 95 190 0 - 4 e 289 50 etot -8.5740E+01 mv 6 71 177 176 0 - 4 e 517 30 etot -8.7696E+01 mv 6 71 48 37 0 - 4 e 249 48 etot -8.5739E+01 mv 6 71 177 94 0 - 4 e 504 26 etot -7.8879E+01 mv 6 71 48 184 0 - 4 e 325 41 etot -8.5102E+01 mv 6 71 177 108 0 - 4 e 522 32 etot -7.9608E+01 mv 6 71 95 9 0 - 4 e 510 22 etot -8.0324E+01 mv 6 71 48 60 0 - 4 e 318 47 etot -7.4660E+01 mv 6 71 177 109 0 - 4 e 363 45 etot -7.7204E+01 mv 6 71 177 183 0 - 4 e 355 54 etot -8.2260E+01 mv 6 71 193 68 0 - 4 e 500 44 etot -8.4470E+01 mv 6 71 177 74 0 - 4 e 144 75 etot -9.0745E+01 mv 6 71 24 3 0 - 4 e 614 29 etot -8.4425E+01 mv 6 71 48 16 0 - 4 e 350 55 etot -8.7517E+01 mv 6 71 193 48 0 - -1 e 1 88 etot 1.3528E+20 mv 6 71 139 4 0 - 4 e 210 77 etot -9.0761E+01 mv 6 71 24 183 0 - 4 e 295 68 etot -8.9341E+01 mv 6 71 48 185 0 - 4 e 308 62 etot -7.5091E+01 mv 6 71 48 11 0 - 4 e 552 40 etot -8.1171E+01 mv 6 71 95 159 0 - -1 e 1 93 etot 4.4761E+22 mv 6 71 36 25 0 - 4 e 276 64 etot -7.0499E+01 mv 6 71 48 186 0 - 4 e 471 53 etot -8.2604E+01 mv 6 71 193 186 0 - -1 e 1 96 etot 1.3528E+20 mv 6 71 36 104 0 - 4 e 195 82 etot -6.8944E+01 mv 6 71 139 41 0 - 4 e 314 59 etot -8.7920E+01 mv 6 71 193 152 0 c 193 14.2 0.6 - 4 e 273 66 etot -8.9341E+01 mv 6 71 48 152 0 - 4 e 296 80 etot -8.8917E+01 mv 6 71 24 199 0 - 4 e 214 83 etot -8.8359E+01 mv 6 71 139 70 0 - 4 e 223 85 etot -8.7275E+01 mv 6 71 139 74 0 - 4 e 336 79 etot -7.5839E+01 mv 6 71 24 12 0 - 4 e 131 92 etot -7.1756E+01 mv 6 71 36 4 0 - 4 e 133 91 etot -6.7118E+01 mv 6 71 36 18 0 - -1 e 1 106 etot 1.3528E+20 mv 6 71 101 171 0 - 4 e 407 63 etot -8.2552E+01 mv 6 71 48 61 0 - -1 e 1 108 etot 1.3528E+20 mv 6 71 101 109 0 - 4 e 464 52 etot -8.3196E+01 mv 6 71 193 164 0 - 4 e 263 86 etot -7.7126E+01 mv 6 71 139 150 0 - 4 e 401 57 etot -8.7920E+01 mv 6 71 193 86 0 - 4 e 311 84 etot -7.1111E+01 mv 6 71 139 100 0 - 4 e 651 51 etot -6.2880E+01 mv 6 71 193 111 0 - 4 e 252 87 etot -8.8289E+01 mv 6 71 139 160 0 - 4 e 236 90 etot -8.7960E+01 mv 6 71 139 4 0 - 4 e 164 95 etot -8.8215E+01 mv 6 71 36 31 0 - 4 e 493 74 etot -7.6434E+01 mv 6 71 24 111 0 - 4 e 353 72 etot -8.2708E+01 mv 6 71 24 15 0 - 4 e 371 67 etot -7.8777E+01 mv 6 71 48 37 0 - 4 e 301 78 etot -7.8901E+01 mv 6 71 24 109 0 - 4 e 650 60 etot -8.0779E+01 mv 6 71 193 89 0 - 4 e 562 61 etot -7.5354E+01 mv 6 71 48 12 0 - -1 e 1 123 etot 1.3528E+20 mv 6 71 167 51 0 - 4 e 616 58 etot -7.7969E+01 mv 6 71 193 4 0 - 4 e 195 102 etot -7.9158E+01 mv 6 71 101 182 0 - 4 e 413 73 etot -7.6322E+01 mv 6 71 24 166 0 - 4 e 267 97 etot -8.1438E+01 mv 6 71 36 4 0 - 4 e 212 104 etot -7.5203E+01 mv 6 71 101 11 0 - 4 e 198 94 etot -8.8215E+01 mv 6 71 36 51 0 - 4 e 278 99 etot -8.2549E+01 mv 6 71 36 33 0 - 4 e 539 81 etot -8.1516E+01 mv 6 71 139 190 0 - 4 e 316 98 etot -8.3923E+01 mv 6 71 36 110 0 - 4 e 311 101 etot -8.5727E+01 mv 6 71 101 61 0 - 4 e 265 105 etot -8.1620E+01 mv 6 71 101 140 0 - 4 e 271 109 etot -8.8080E+01 mv 6 71 101 70 0 - -1 e 1 136 etot 1.3528E+20 mv 6 71 200 123 0 - 4 e 476 89 etot -7.7192E+01 mv 6 71 139 69 0 - 4 e 196 117 etot -8.7603E+01 mv 6 71 183 74 0 - 4 e 287 111 etot -8.7390E+01 mv 6 71 183 168 0 - 4 e 259 100 etot -7.9519E+01 mv 6 71 36 95 0 - -1 e 1 141 etot 1.3528E+20 mv 6 71 1 69 0 - 4 e 286 114 etot -7.1781E+01 mv 6 71 183 19 0 - 4 e 225 125 etot -8.7887E+01 mv 6 71 167 120 0 - 4 e 190 120 etot 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mv 6 71 174 9 0 - 4 e 519 118 etot -8.5775E+01 mv 6 71 183 174 0 - 4 e 233 146 etot -7.4165E+01 mv 6 71 1 102 0 - 4 e 219 142 etot -8.5820E+01 mv 6 71 1 59 0 - 4 e 257 144 etot -7.1575E+01 mv 6 71 1 112 0 - 4 e 442 129 etot -7.7087E+01 mv 6 71 167 182 0 - 4 e 173 145 etot -8.3966E+01 mv 6 71 1 106 0 - 4 e 248 147 etot -7.8584E+01 mv 6 71 1 119 0 - 4 e 195 151 etot -8.7383E+01 mv 6 71 174 114 0 - 4 e 514 124 etot -8.4204E+01 mv 6 71 167 159 0 - 4 e 322 130 etot -8.3963E+01 mv 6 71 167 95 0 - 4 e 164 158 etot -8.6115E+01 mv 6 71 174 48 0 - 4 e 428 138 etot -8.3608E+01 mv 6 71 200 190 0 - 4 e 170 159 etot -8.7383E+01 mv 6 71 174 130 0 - 4 e 435 139 etot -8.0575E+01 mv 6 71 200 154 0 - 4 e 302 150 etot -8.8114E+01 mv 6 71 1 38 0 - 4 e 482 137 etot -7.7134E+01 mv 6 71 200 22 0 - 4 e 376 149 etot -7.7430E+01 mv 6 71 1 115 0 - 4 e 550 133 etot -8.3025E+01 mv 6 71 200 84 0 c 187 199.7 0.1 - -1 e 1 183 etot 1.3528E+20 mv 6 71 124 170 0 - 4 e 79 179 etot -8.4825E+01 mv 6 71 79 71 0 c 71 0.4 0.0 - 4 e 168 160 etot -8.7383E+01 mv 6 71 174 114 0 - 4 e 251 162 etot -8.7216E+01 mv 6 71 38 61 0 - 4 e 368 153 etot -8.8831E+01 mv 6 71 174 86 0 - 4 e 204 172 etot -8.6915E+01 mv 6 71 79 181 0 - -1 e 1 189 etot 1.3528E+20 mv 6 71 124 111 0 - 4 e 231 169 etot -8.5659E+01 mv 6 71 38 161 0 - -1 e 1 190 etot 1.3528E+20 mv 6 71 124 33 0 - 4 e 216 174 etot -8.4510E+01 mv 6 71 79 104 0 - 4 e 383 157 etot -9.2230E+01 mv 6 71 174 34 0 - 4 e 388 156 etot -7.6765E+01 mv 6 71 174 166 0 - 4 e 540 143 etot -8.8113E+01 mv 6 71 1 134 0 - 4 e 709 132 etot -8.0056E+01 mv 6 71 200 162 0 - 4 e 306 152 etot -8.9261E+01 mv 6 71 174 177 0 - 4 e 256 165 etot -7.3190E+01 mv 6 71 38 119 0 - 4 e 313 166 etot -8.1038E+01 mv 6 71 38 121 0 - 4 e 336 163 etot -8.3058E+01 mv 6 71 38 147 0 - 4 e 314 167 etot -8.7216E+01 mv 6 71 38 109 0 - 4 e 232 171 etot -8.4470E+01 mv 6 71 79 164 0 - 4 e 266 178 etot -8.4117E+01 mv 6 71 79 16 0 - 4 e 351 170 etot -8.3526E+01 mv 6 71 38 85 0 - 4 e 248 164 etot -7.1171E+01 mv 6 71 38 49 0 - 4 e 300 180 etot -8.4372E+01 mv 6 71 79 64 0 - -1 e 1 207 etot 1.3528E+20 mv 2 71 40 -67 0 - -1 e 1 208 etot 1.3528E+20 mv 2 71 40 -192 0 - 4 e 340 177 etot -7.7496E+01 mv 6 71 79 46 0 - 4 e 149 201 etot -8.5901E+01 mv 2 71 5 -94 0 c 5 0.7 0.0 - 4 e 391 176 etot -8.0931E+01 mv 6 71 79 165 0 - 4 e 292 175 etot -8.8134E+01 mv 6 71 79 153 0 c 79 213.9 0.9 - 4 e 449 173 etot -8.3689E+01 mv 6 71 79 172 0 - 4 e 371 161 etot -7.8288E+01 mv 6 71 38 159 0 - 4 e 191 199 etot -8.9075E+01 mv 6 71 161 150 0 - 4 e 661 127 etot -8.9562E+01 mv 6 71 167 50 0 - 4 e 323 185 etot -8.5380E+01 mv 6 71 124 83 0 - 4 e 343 182 etot -7.9051E+01 mv 6 71 124 185 0 - 4 e 320 187 etot -7.8099E+01 mv 6 71 124 152 0 - 4 e 369 184 etot -8.3263E+01 mv 6 71 124 31 0 - 4 e 348 188 etot -8.2895E+01 mv 6 71 124 99 0 - 4 e 250 200 etot -8.4840E+01 mv 6 71 161 134 0 - 4 e 301 195 etot -8.4695E+01 mv 6 71 161 94 0 - 4 e 388 168 etot -8.6464E+01 mv 6 71 38 47 0 - 4 e 344 192 etot -7.7516E+01 mv 6 71 161 182 0 - 4 e 516 181 etot -8.0157E+01 mv 6 71 124 96 0 - 4 e 374 196 etot -8.8274E+01 mv 6 71 161 168 0 - 4 e 201 206 etot -9.0078E+01 mv 2 71 40 -70 0 c 40 2.2 0.0 - 4 e 408 194 etot -7.7988E+01 mv 6 71 161 1 0 - -1 e 1 230 etot 1.3528E+20 mv 2 71 193 -70 0 - 4 e 317 205 etot -8.5900E+01 mv 2 71 5 -164 0 - 4 e 448 193 etot -7.3757E+01 mv 6 71 161 90 0 - 4 e 421 197 etot -8.0533E+01 mv 6 71 161 119 0 - 4 e 168 221 etot -8.1103E+01 mv 2 71 177 -27 0 - 8 e 51 228 etot -6.3988E+01 mv 2 71 193 -46 0 - 4 e 275 211 etot -8.7699E+01 mv 2 71 48 -85 0 c 48 3.4 0.0 - 4 e 502 191 etot -8.6054E+01 mv 6 71 161 169 0 - 4 e 454 202 etot -6.0233E+01 mv 2 71 5 -199 0 - -1 e 1 232 etot 1.3528E+20 mv 2 71 48 -10 0 - 4 e 409 204 etot -6.5276E+01 mv 2 71 5 -37 0 - 4 e 354 209 etot -8.1741E+01 mv 2 71 40 -143 0 - 4 e 306 216 etot -8.2307E+01 mv 2 71 95 -147 0 - 4 e 293 219 etot -8.5229E+01 mv 2 71 95 -97 0 - 4 e 345 214 etot -7.8205E+01 mv 2 71 48 -77 0 - 4 e 393 210 etot -8.4967E+01 mv 2 71 40 -101 0 - 4 e 170 231 etot -8.7700E+01 mv 2 71 48 -94 0 c 48 1.1 0.0 - 4 e 263 213 etot -6.5086E+01 mv 2 71 48 -54 0 - 4 e 336 220 etot -8.1238E+01 mv 2 71 95 -33 0 - -1 e 1 249 etot 1.3528E+20 mv 2 71 36 -153 0 - -1 e 1 250 etot 1.3528E+20 mv 2 71 36 104 0 - 4 e 134 241 etot -8.8359E+01 mv 2 71 139 130 0 - 4 e 192 235 etot -8.7400E+01 mv 2 71 48 -108 0 - 4 e 152 234 etot -7.6237E+01 mv 2 71 48 38 0 - 4 e 426 218 etot -7.0284E+01 mv 2 71 95 -40 0 - 4 e 273 233 etot -6.3300E+01 mv 2 71 48 -101 0 - 4 e 494 212 etot -8.0751E+01 mv 2 71 48 -130 0 - 4 e 213 242 etot -6.5726E+01 mv 2 71 139 8 0 - 4 e 441 203 etot -7.0398E+01 mv 2 71 5 -51 0 - -1 e 1 259 etot 1.3528E+20 mv 2 71 183 50 0 - 4 e 246 239 etot -6.4056E+01 mv 2 71 24 -104 0 - 4 e 424 226 etot -8.7356E+01 mv 2 71 193 -12 0 - 4 e 299 236 etot -7.7981E+01 mv 2 71 24 -23 0 - 4 e 464 222 etot -6.9675E+01 mv 2 71 177 -30 0 - 4 e 133 252 etot -8.8165E+01 mv 2 71 101 26 0 - 4 e 227 243 etot -7.2334E+01 mv 2 71 139 -101 0 - 4 e 294 238 etot -9.0761E+01 mv 2 71 24 -122 0 - 4 e 478 224 etot -7.7271E+01 mv 2 71 177 -107 0 - 4 e 317 237 etot -7.9732E+01 mv 2 71 24 -15 0 - 4 e 529 223 etot -8.0594E+01 mv 2 71 177 -170 0 - 4 e 188 254 etot -8.8207E+01 mv 2 71 101 154 0 - 4 e 246 246 etot -7.6414E+01 mv 2 71 36 193 0 - 4 e 524 227 etot -8.2640E+01 mv 2 71 193 -20 0 - 4 e 193 255 etot -8.8207E+01 mv 2 71 101 154 0 - 4 e 343 244 etot -7.8930E+01 mv 2 71 139 -68 0 - 4 e 653 186 etot -8.4664E+01 mv 6 71 124 81 0 - 4 e 331 247 etot -7.3695E+01 mv 2 71 36 -54 0 - 4 e 224 256 etot -8.6139E+01 mv 2 71 183 -52 0 - 4 e 350 251 etot -8.3863E+01 mv 2 71 101 -7 0 - 4 e 307 253 etot -7.3824E+01 mv 2 71 101 -107 0 - -1 e 1 279 etot 1.3528E+20 mv 2 71 174 116 0 - 4 e 646 198 etot -8.2493E+01 mv 6 71 161 4 0 - -1 e 1 282 etot 1.3528E+20 mv 2 71 38 161 0 - 4 e 523 215 etot -8.1365E+01 mv 2 71 48 -181 0 - 4 e 205 266 etot -8.7592E+01 mv 2 71 200 122 0 - 4 e 470 225 etot -8.3499E+01 mv 2 71 177 -25 0 - 4 e 216 269 etot -8.7592E+01 mv 2 71 200 171 0 - 4 e 538 240 etot -8.4700E+01 mv 2 71 24 26 0 - 4 e 468 245 etot -7.6115E+01 mv 2 71 139 115 0 - 4 e 208 271 etot -7.5890E+01 mv 2 71 1 -34 0 - 4 e 319 248 etot -8.0467E+01 mv 2 71 36 173 0 - 4 e 316 262 etot -8.0738E+01 mv 2 71 167 -92 0 - -1 e 1 292 etot 1.3528E+20 mv 2 71 124 -99 0 - 4 e 302 263 etot -8.8104E+01 mv 2 71 167 -36 0 - 4 e 292 267 etot -8.7592E+01 mv 2 71 200 19 0 - 4 e 575 217 etot -8.2521E+01 mv 2 71 95 -148 0 - 4 e 311 268 etot -8.7592E+01 mv 2 71 200 42 0 - -1 e 1 297 etot 1.3528E+20 mv 2 71 161 -160 0 - 4 e 170 277 etot -8.0105E+01 mv 2 71 174 -192 0 - 4 e 268 275 etot -7.5922E+01 mv 2 71 1 -73 0 - 4 e 115 290 etot -8.7212E+01 mv 2 71 79 25 0 - 4 e 425 261 etot -8.0672E+01 mv 2 71 167 112 0 - -1 e 1 302 etot 1.3528E+20 mv 1 71 5 -65 0 - 4 e 295 273 etot -7.5483E+01 mv 2 71 1 -25 0 - 4 e 529 229 etot -6.8607E+01 mv 2 71 193 -15 0 - 4 e 347 272 etot -8.6291E+01 mv 2 71 1 68 0 - 4 e 232 280 etot -8.7383E+01 mv 2 71 174 26 0 - 4 e 495 258 etot -8.2215E+01 mv 2 71 183 -55 0 - 4 e 168 289 etot -8.7211E+01 mv 2 71 79 80 0 - 4 e 138 295 etot -8.8097E+01 mv 2 71 124 66 0 - 4 e 389 270 etot -8.7592E+01 mv 2 71 200 106 0 - 4 e 146 298 etot -6.7751E+01 mv 2 71 161 179 0 - -1 e 1 312 etot 1.3528E+20 mv 1 71 48 -97 0 - 4 e 220 288 etot -7.2552E+01 mv 2 71 79 82 0 - -1 e 1 314 etot 1.3528E+20 mv 1 71 48 -76 0 - 4 e 483 265 etot -8.3059E+01 mv 2 71 167 50 0 - 4 e 209 284 etot -7.8189E+01 mv 2 71 38 -150 0 - 4 e 535 264 etot -8.4505E+01 mv 2 71 167 172 0 - 4 e 588 257 etot -7.2803E+01 mv 2 71 183 -100 0 - 4 e 212 286 etot -7.1769E+01 mv 2 71 79 -22 0 - 4 e 152 304 etot -7.4316E+01 mv 1 71 5 -145 0 - 4 e 343 285 etot -7.3763E+01 mv 2 71 38 36 0 - 4 e 186 291 etot -8.8097E+01 mv 2 71 124 135 0 - 4 e 178 301 etot -7.4598E+01 mv 1 71 5 -107 0 - 4 e 277 283 etot -7.4413E+01 mv 2 71 38 131 0 - 4 e 316 293 etot -7.1687E+01 mv 2 71 124 -171 0 - 4 e 335 276 etot -8.1451E+01 mv 2 71 174 101 0 - 4 e 218 311 etot -8.7699E+01 mv 1 71 48 -126 0 - 4 e 266 309 etot -8.0129E+01 mv 1 71 40 -126 0 - 4 e 387 299 etot -8.2008E+01 mv 2 71 161 -3 0 - -1 e 1 330 etot 2.2357E+20 mv 1 71 193 -33 0 - 4 e 433 294 etot -7.7748E+01 mv 2 71 124 -48 0 - 4 e 300 310 etot -9.0330E+01 mv 1 71 40 -93 0 c 40 41.8 0.3 - 4 e 634 274 etot -7.0040E+01 mv 2 71 1 -115 0 - 4 e 360 300 etot -8.6267E+01 mv 2 71 161 177 0 - 4 e 540 260 etot -8.7119E+01 mv 2 71 183 119 0 c 162 159.1 0.1 - 4 e 292 315 etot -8.7698E+01 mv 1 71 48 -67 0 - 4 e 512 287 etot -7.8989E+01 mv 2 71 79 -25 0 - 4 e 271 316 etot -8.5229E+01 mv 1 71 95 -141 0 - 4 e 650 278 etot -8.2354E+01 mv 2 71 174 -26 0 - 4 e 643 281 etot -8.1838E+01 mv 2 71 38 55 0 - 4 e 296 305 etot -8.5901E+01 mv 1 71 5 -17 0 - 4 e 408 306 etot -8.1765E+01 mv 1 71 40 -19 0 - 4 e 416 308 etot -8.1029E+01 mv 1 71 40 -185 0 - 4 e 375 318 etot -8.2307E+01 mv 1 71 95 -147 0 - 4 e 307 326 etot -8.7358E+01 mv 1 71 193 -34 0 - 4 e 364 321 etot -7.8540E+01 mv 1 71 177 -180 0 - 4 e 202 331 etot -8.7700E+01 mv 1 71 48 196 0 - 4 e 252 329 etot -8.0971E+01 mv 1 71 193 -56 0 - 4 e 533 313 etot -7.0794E+01 mv 1 71 48 -151 0 - 4 e 321 328 etot -8.7182E+01 mv 1 71 193 -28 0 - 4 e 239 335 etot -8.0375E+01 mv 1 71 48 -74 0 - -1 e 1 352 etot 1.3528E+20 mv 1 71 101 125 0 - 4 e 466 319 etot -8.1463E+01 mv 1 71 95 -14 0 - 4 e 559 307 etot -4.5535E+01 mv 1 71 40 -109 0 - 4 e 624 303 etot -8.4718E+01 mv 1 71 5 -181 0 - 4 e 265 338 etot -9.0761E+01 mv 1 71 24 199 0 - -1 e 1 357 etot 1.3528E+20 mv 1 71 183 -32 0 - 4 e 506 322 etot -7.3553E+01 mv 1 71 177 -150 0 - 4 e 217 344 etot -8.8359E+01 mv 1 71 139 166 0 - 4 e 167 346 etot -8.8215E+01 mv 1 71 36 -48 0 - 4 e 375 332 etot -8.6746E+01 mv 1 71 48 -158 0 - 4 e 196 348 etot -8.8215E+01 mv 1 71 36 34 0 - 4 e 340 340 etot -8.0061E+01 mv 1 71 24 158 0 - 4 e 245 342 etot -7.1858E+01 mv 1 71 139 3 0 - -1 e 1 365 etot 1.9791E+21 mv 1 71 167 -38 0 - 4 e 170 355 etot -8.8207E+01 mv 1 71 101 -100 0 - 4 e 197 351 etot -8.8207E+01 mv 1 71 101 -107 0 - 4 e 357 343 etot -8.8358E+01 mv 1 71 139 -194 0 - 4 e 197 353 etot -8.8207E+01 mv 1 71 101 49 0 - 4 e 491 317 etot -7.8742E+01 mv 1 71 95 -181 0 - 4 e 428 325 etot -7.7299E+01 mv 1 71 177 -139 0 - 4 e 193 356 etot -8.7603E+01 mv 1 71 183 -139 0 - 4 e 656 324 etot -8.4304E+01 mv 1 71 177 -182 0 - 4 e 206 358 etot -8.7603E+01 mv 1 71 183 12 0 - 4 e 345 345 etot -7.4334E+01 mv 1 71 139 -154 0 - 4 e 267 350 etot -8.8215E+01 mv 1 71 36 197 0 - 4 e 179 361 etot -8.8147E+01 mv 1 71 167 -93 0 - 4 e 364 336 etot -9.0760E+01 mv 1 71 24 -151 0 - -1 e 1 379 etot 1.8623E+33 mv 1 71 174 126 0 - 4 e 502 341 etot -8.8357E+01 mv 1 71 139 -121 0 - 4 e 404 347 etot -8.8214E+01 mv 1 71 36 59 0 - 4 e 588 333 etot -8.2145E+01 mv 1 71 48 57 0 - 4 e 713 296 etot -7.7692E+01 mv 2 71 161 77 0 - 4 e 576 339 etot -8.3072E+01 mv 1 71 24 196 0 - 4 e 600 334 etot -8.5736E+01 mv 1 71 48 -63 0 - 4 e 155 370 etot -8.7592E+01 mv 1 71 200 9 0 - 4 e 502 327 etot -5.2177E+01 mv 1 71 193 -26 0 - 4 e 393 349 etot -8.8214E+01 mv 1 71 36 -193 0 - 4 e 644 337 etot -8.4638E+01 mv 1 71 24 -20 0 - 4 e 410 354 etot -8.3472E+01 mv 1 71 101 -45 0 - 4 e 174 377 etot -8.7383E+01 mv 1 71 174 -13 0 - 4 e 132 385 etot -5.3989E+01 mv 1 71 38 -135 0 - -1 e 1 393 etot 1.3528E+20 mv 1 71 124 -156 0 - 4 e 642 320 etot -8.5227E+01 mv 1 71 95 -142 0 - 4 e 287 368 etot -8.5877E+01 mv 1 71 200 -79 0 - 4 e 375 362 etot -8.5111E+01 mv 1 71 167 191 0 - 4 e 212 366 etot -8.7592E+01 mv 1 71 200 -39 0 - 4 e 232 378 etot -6.9535E+01 mv 1 71 174 54 0 - 4 e 217 371 etot -8.8115E+01 mv 1 71 1 149 0 - 4 e 671 323 etot -8.1679E+01 mv 1 71 177 -137 0 - 4 e 424 363 etot -8.8145E+01 mv 1 71 167 193 0 - 4 e 170 389 etot -8.4390E+01 mv 1 71 79 64 0 f 81 383.5 1.6 - 4 e 220 383 etot -8.7217E+01 mv 1 71 38 33 0 - 4 e 143 390 etot -6.4429E+01 mv 1 71 79 -37 0 - 4 e 251 372 etot -8.8115E+01 mv 1 71 1 -100 0 - 4 e 346 375 etot -8.0974E+01 mv 1 71 1 -20 0 - 4 e 276 381 etot -8.2579E+01 mv 1 71 38 118 0 - 4 e 243 387 etot -8.5866E+01 mv 1 71 79 -97 0 c 81 217.9 1.5 - 4 e 12 408 etot -9.0761E+01 mv 0 71 24 0 0 c 24 0.0 0.0 - 4 e 2 409 etot -8.8359E+01 mv 0 71 139 0 0 - 4 e 2 410 etot -8.8216E+01 mv 0 71 36 0 0 - 4 e 2 412 etot -8.7603E+01 mv 0 71 183 0 0 - 4 e 573 359 etot -8.2215E+01 mv 1 71 183 -197 0 - 4 e 473 364 etot -7.5923E+01 mv 1 71 167 -68 0 - 4 e 2 414 etot -8.7592E+01 mv 0 71 200 0 0 - 4 e 429 369 etot -8.6853E+01 mv 1 71 200 154 0 - 4 e 16 411 etot -8.8207E+01 mv 0 71 101 0 0 c 101 0.0 0.0 - 4 e 2 415 etot -8.8115E+01 mv 0 71 1 0 0 - 4 e 2 416 etot -8.7384E+01 mv 0 71 174 0 0 -## N0 total= 19 close= 7 far= 0 %acc 36.8 -## N1 total= 101 close= 2 far= 1 %acc 3.0 -## N2 total= 100 close= 5 far= 0 %acc 5.0 -## N3 total= 0 close= 0 far= 0 %acc 0.0 -## N4 total= 0 close= 0 far= 0 %acc 0.0 -## N5 total= 0 close= 0 far= 0 %acc 0.0 -## N6 total= 200 close= 9 far= 1 %acc 5.0 -## N7 total= 0 close= 0 far= 0 %acc 0.0 -## N8 total= 0 close= 0 far= 0 %acc 0.0 -## N9 total= 0 close= 0 far= 0 %acc 0.0 -##N10 total= 0 close= 0 far= 0 %acc 0.0 -##N11 total= 0 close= 0 far= 0 %acc 0.0 -##N12 total= 0 close= 0 far= 0 %acc 0.0 -##N13 total= 0 close= 0 far= 0 %acc 0.0 -##N14 total= 0 close= 0 far= 0 %acc 0.0 -##N15 total= 0 close= 0 far= 0 %acc 0.0 -##N16 total= 0 close= 0 far= 0 %acc 0.0 -##N17 total= 0 close= 0 far= 0 %acc 0.0 -##N18 total= 0 close= 0 far= 0 %acc 0.0 - Time for refresh 72 0.44 - make_var : nseed= 20 ntry= 420 - Time for make trial 73 0.09 -Nonsetup time 143.29 sec, Eval/s = 64519.84 -Time for iter 73 1.96 sec, Eval/s = 62197.82 - UPDATING 420 - 4 e 431 397 etot -7.9146E+01 mv 1 71 161 -170 0 - 4 e 488 396 etot -8.5956E+01 mv 1 71 161 102 0 - 4 e 394 392 etot -6.8383E+01 mv 1 71 124 -184 0 - 4 e 140 407 etot -8.7700E+01 mv 0 71 48 0 0 - 4 e 140 403 etot -8.7700E+01 mv 0 71 48 0 0 - 4 e 456 373 etot -7.4801E+01 mv 1 71 1 -50 0 - 4 e 762 360 etot -8.3999E+01 mv 1 71 183 -132 0 - 4 e 2 419 etot -8.8097E+01 mv 0 71 124 0 0 - -1 e 1 1 etot 1.3528E+20 mv 6 72 40 167 0 - 4 e 169 404 etot -8.5229E+01 mv 0 71 95 0 0 c 95 1.4 0.0 - 4 e 548 367 etot -7.7455E+01 mv 1 71 200 -151 0 - 4 e 634 382 etot -8.1086E+01 mv 1 71 38 -151 0 - -1 e 1 4 etot 1.3528E+20 mv 6 72 40 159 0 - 4 e 490 394 etot -8.6997E+01 mv 1 71 124 -84 0 - 4 e 129 402 etot -9.0079E+01 mv 0 71 40 0 0 - 4 e 51 418 etot -8.7212E+01 mv 0 71 79 0 0 c 81 20.1 1.3 - 4 e 28 420 etot -8.9075E+01 mv 0 71 161 0 0 c 161 0.1 0.0 - 4 e 349 386 etot -8.5953E+01 mv 1 71 79 -159 0 - 4 e 400 376 etot -7.4997E+01 mv 1 71 174 160 0 - -1 e 1 11 etot 1.3903E+21 mv 6 72 64 191 0 - 4 e 25 413 etot -8.8147E+01 mv 0 71 167 0 0 - 4 e 338 399 etot -7.4323E+01 mv 1 71 161 169 0 - 4 e 2 417 etot -8.7217E+01 mv 0 71 38 0 0 - 4 e 244 405 etot -8.4358E+01 mv 0 71 177 0 0 c 177 5.3 0.0 - 4 e 443 374 etot -6.9661E+01 mv 1 71 1 -168 0 - 4 e 269 391 etot -8.8097E+01 mv 1 71 124 -141 0 - -1 e 1 17 etot 1.3528E+20 mv 6 72 64 36 0 - 4 e 168 406 etot -8.7359E+01 mv 0 71 193 0 0 - 4 e 251 398 etot -8.9074E+01 mv 1 71 161 41 0 - 4 e 295 388 etot -8.6135E+01 mv 1 71 79 -31 0 - 4 e 129 401 etot -8.5901E+01 mv 0 71 5 0 0 - 4 e 148 395 etot -8.8097E+01 mv 1 71 124 35 0 - 4 e 174 400 etot -8.9075E+01 mv 1 71 161 95 0 c 161 0.7 0.0 - 4 e 232 380 etot -8.7383E+01 mv 1 71 174 117 0 - 4 e 273 384 etot -5.9694E+01 mv 1 71 38 -180 0 - -1 e 1 30 etot 1.3528E+20 mv 6 72 79 28 0 - -1 e 1 35 etot 1.3528E+20 mv 6 72 81 48 0 - 8 e 31 25 etot -6.3988E+01 mv 6 72 79 118 0 - 4 e 231 7 etot -7.1520E+01 mv 6 72 40 182 0 - 4 e 212 34 etot -8.5570E+01 mv 6 72 81 138 0 - 4 e 209 2 etot -9.0298E+01 mv 6 72 40 150 0 - 4 e 208 18 etot -8.4922E+01 mv 6 72 64 102 0 - -1 e 1 41 etot 1.3528E+20 mv 6 72 162 96 0 - 4 e 226 19 etot -7.2385E+01 mv 6 72 64 100 0 - 4 e 218 23 etot -8.8134E+01 mv 6 72 79 67 0 - 4 e 236 12 etot -8.3234E+01 mv 6 72 64 143 0 - -1 e 1 45 etot 1.3528E+20 mv 6 72 162 110 0 - 4 e 262 5 etot -9.0052E+01 mv 6 72 40 32 0 - 4 e 246 8 etot -9.0052E+01 mv 6 72 40 122 0 - 4 e 244 26 etot -8.1374E+01 mv 6 72 79 189 0 - 4 e 259 16 etot -7.7822E+01 mv 6 72 64 165 0 - 4 e 217 38 etot -8.5867E+01 mv 6 72 81 173 0 - 4 e 243 3 etot -8.5657E+01 mv 6 72 40 27 0 - 4 e 275 21 etot -8.9605E+01 mv 6 72 79 95 0 c 79 59.5 1.5 - 4 e 260 36 etot -8.6445E+01 mv 6 72 81 86 0 - -1 e 1 55 etot 6.9192E+28 mv 6 72 187 33 0 - 4 e 384 6 etot -8.6350E+01 mv 6 72 40 112 0 - 4 e 412 13 etot -8.7826E+01 mv 6 72 64 48 0 - 4 e 339 15 etot -8.5189E+01 mv 6 72 64 138 0 c 64 243.3 1.6 - 4 e 332 22 etot -8.4642E+01 mv 6 72 79 30 0 - 4 e 365 32 etot -8.0443E+01 mv 6 72 81 164 0 - 4 e 337 29 etot -8.0187E+01 mv 6 72 79 36 0 - 4 e 128 50 etot -6.5893E+01 mv 6 72 162 175 0 - 4 e 152 40 etot -8.5867E+01 mv 6 72 81 133 0 - 4 e 402 10 etot -8.3051E+01 mv 6 72 40 23 0 - 4 e 415 24 etot -8.4392E+01 mv 6 72 79 89 0 - 4 e 408 14 etot -8.0370E+01 mv 6 72 64 169 0 - -1 e 1 66 etot 1.3528E+20 mv 6 72 193 131 0 - 4 e 169 49 etot -8.5924E+01 mv 6 72 162 85 0 - 4 e 58 61 etot -8.4472E+01 mv 6 72 193 15 0 c 15 0.4 0.0 - -1 e 1 70 etot 1.3528E+20 mv 6 72 193 14 0 - 4 e 388 28 etot -8.8133E+01 mv 6 72 79 152 0 - 8 e 17 68 etot -6.3994E+01 mv 6 72 193 36 0 - 4 e 409 20 etot -7.9672E+01 mv 6 72 64 98 0 - 4 e 403 31 etot -8.5570E+01 mv 6 72 81 59 0 - 4 e 352 48 etot -8.0037E+01 mv 6 72 162 38 0 - 4 e 460 9 etot -7.8150E+01 mv 6 72 40 165 0 - 4 e 473 27 etot -8.0450E+01 mv 6 72 79 80 0 - 4 e 481 33 etot -7.3764E+01 mv 6 72 81 70 0 - 4 e 248 47 etot -8.1957E+01 mv 6 72 162 34 0 - 4 e 516 37 etot -8.0133E+01 mv 6 72 81 66 0 - 4 e 439 39 etot -8.0246E+01 mv 6 72 81 193 0 - 4 e 310 57 etot -7.1819E+01 mv 6 72 187 73 0 - 4 e 307 53 etot -8.4603E+01 mv 6 72 187 36 0 - 4 e 344 58 etot -8.3095E+01 mv 6 72 187 117 0 c 187 32.2 0.1 - 4 e 447 42 etot -8.3716E+01 mv 6 72 162 59 0 - 4 e 332 60 etot -7.7997E+01 mv 6 72 187 67 0 - 4 e 166 69 etot -7.5607E+01 mv 6 72 193 187 0 - 4 e 337 52 etot -8.1190E+01 mv 6 72 187 5 0 - -1 e 1 89 etot 1.4027E+23 mv 6 72 24 12 0 - 4 e 142 75 etot -8.6689E+01 mv 6 72 128 46 0 - -1 e 1 91 etot 1.3528E+20 mv 6 72 139 97 0 - 4 e 202 71 etot -8.7131E+01 mv 6 72 128 56 0 - 4 e 223 77 etot -8.0510E+01 mv 6 72 128 134 0 - 4 e 254 76 etot -8.6118E+01 mv 6 72 128 155 0 - 4 e 427 46 etot -8.3748E+01 mv 6 72 162 200 0 - 4 e 585 44 etot -8.2671E+01 mv 6 72 162 71 0 - 4 e 225 82 etot -7.1577E+01 mv 6 72 24 70 0 - 4 e 377 59 etot -7.9590E+01 mv 6 72 187 144 0 - 4 e 348 56 etot -8.7590E+01 mv 6 72 187 182 0 - 4 e 309 64 etot -8.6030E+01 mv 6 72 193 57 0 - -1 e 1 100 etot 1.3528E+20 mv 6 72 139 199 0 - 4 e 176 81 etot -8.9617E+01 mv 6 72 24 167 0 - 4 e 533 43 etot -8.3741E+01 mv 6 72 162 190 0 - 4 e 353 63 etot -8.8038E+01 mv 6 72 193 179 0 - 4 e 241 78 etot -7.8537E+01 mv 6 72 128 151 0 - 4 e 294 73 etot -8.6713E+01 mv 6 72 128 147 0 - 4 e 240 72 etot -7.8687E+01 mv 6 72 128 85 0 - 4 e 270 83 etot -8.8917E+01 mv 6 72 24 108 0 - 4 e 604 54 etot -8.5046E+01 mv 6 72 187 149 0 - 4 e 297 74 etot -8.6545E+01 mv 6 72 128 140 0 - 4 e 550 51 etot -7.8206E+01 mv 6 72 187 121 0 - 4 e 410 67 etot -7.7737E+01 mv 6 72 193 47 0 - 4 e 295 79 etot -8.6118E+01 mv 6 72 128 62 0 - 4 e 437 65 etot -8.9292E+01 mv 6 72 193 4 0 - 4 e 394 80 etot -8.1254E+01 mv 6 72 128 74 0 - 4 e 226 94 etot -8.0906E+01 mv 6 72 139 178 0 - 4 e 216 96 etot -8.5913E+01 mv 6 72 139 100 0 - 4 e 360 84 etot -8.2498E+01 mv 6 72 24 93 0 - 4 e 235 97 etot -8.8359E+01 mv 6 72 139 124 0 - 4 e 247 98 etot -8.7960E+01 mv 6 72 139 93 0 - 4 e 402 85 etot -7.5185E+01 mv 6 72 24 59 0 - 4 e 282 99 etot -8.8358E+01 mv 6 72 139 187 0 - -1 e 1 123 etot 1.3528E+20 mv 6 72 48 171 0 - 4 e 435 86 etot -8.4381E+01 mv 6 72 24 70 0 - 4 e 225 110 etot -8.6996E+01 mv 6 72 36 135 0 - 4 e 252 93 etot -8.7959E+01 mv 6 72 139 108 0 - 4 e 334 95 etot -7.3976E+01 mv 6 72 139 38 0 - 8 e 21 124 etot -6.3998E+01 mv 6 72 48 108 0 - 4 e 303 107 etot -8.7445E+01 mv 6 72 36 158 0 - 4 e 233 113 etot -8.7878E+01 mv 6 72 1 153 0 - 4 e 2 131 etot -8.7217E+01 mv 6 72 183 38 0 - 4 e 510 62 etot -8.0778E+01 mv 6 72 193 52 0 - 4 e 302 109 etot -8.9604E+01 mv 6 72 36 79 0 - 4 e 455 88 etot -8.2013E+01 mv 6 72 24 195 0 - 4 e 294 112 etot -8.4463E+01 mv 6 72 1 53 0 - 4 e 208 117 etot -7.4674E+01 mv 6 72 1 101 0 - 4 e 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etot -8.4613E+01 mv 1 72 81 -129 0 - 4 e 194 319 etot -6.9255E+01 mv 1 72 81 -41 0 - -1 e 1 345 etot 1.3528E+20 mv 1 72 24 -122 0 - 4 e 334 316 etot -8.4612E+01 mv 1 72 81 -34 0 - 4 e 449 308 etot -7.6344E+01 mv 1 72 64 -19 0 - -1 e 1 348 etot 1.3528E+20 mv 1 72 139 45 0 - 4 e 175 336 etot -8.6118E+01 mv 1 72 128 -185 0 - 4 e 420 315 etot -6.8292E+01 mv 1 72 79 -85 0 - 4 e 474 309 etot -7.1873E+01 mv 1 72 64 -146 0 - 4 e 252 331 etot -8.7921E+01 mv 1 72 193 -52 0 c 193 1.3 0.0 - 4 e 524 307 etot -6.1515E+01 mv 1 72 64 -165 0 - 4 e 180 340 etot -7.3758E+01 mv 1 72 128 124 0 - 4 e 308 328 etot -6.8749E+01 mv 1 72 187 -121 0 - -1 e 1 356 etot 1.3528E+20 mv 1 72 1 155 0 - 4 e 236 339 etot -8.6118E+01 mv 1 72 128 34 0 - 4 e 327 330 etot -8.3027E+01 mv 1 72 187 -66 0 - 4 e 548 313 etot -8.0450E+01 mv 1 72 79 -154 0 - 4 e 303 337 etot -7.6849E+01 mv 1 72 128 1 0 - 4 e 468 322 etot -7.6620E+01 mv 1 72 162 -14 0 - 4 e 391 332 etot -8.0407E+01 mv 1 72 193 -73 0 - 4 e 514 299 etot -8.5898E+01 mv 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347 etot -8.0795E+01 mv 1 72 139 86 0 - 4 e 357 343 etot -8.9624E+01 mv 1 72 24 -126 0 - 4 e 267 362 etot -7.0331E+01 mv 1 72 48 -138 0 - 4 e 156 373 etot -8.7383E+01 mv 1 72 174 9 0 - 4 e 504 326 etot -7.3528E+01 mv 1 72 187 -145 0 - 4 e 129 377 etot -7.0396E+01 mv 1 72 38 -145 0 - 4 e 278 367 etot -7.6120E+01 mv 1 72 183 -171 0 - 4 e 257 370 etot -8.7603E+01 mv 1 72 183 165 0 - -1 e 1 392 etot 1.3528E+20 mv 1 72 161 -103 0 - -1 e 1 393 etot 1.3528E+20 mv 1 72 161 -29 0 - 4 e 162 378 etot -8.7217E+01 mv 1 72 38 -87 0 - 4 e 552 349 etot -7.9694E+01 mv 1 72 139 9 0 - 4 e 129 385 etot -7.0014E+01 mv 1 72 47 -181 0 - 4 e 296 369 etot -8.5256E+01 mv 1 72 183 -193 0 - 4 e 512 353 etot -7.2943E+01 mv 1 72 36 -66 0 - 4 e 251 375 etot -7.3463E+01 mv 1 72 174 -19 0 - 4 e 328 368 etot -8.5429E+01 mv 1 72 183 26 0 - 4 e 252 374 etot -8.7326E+01 mv 1 72 174 -72 0 - 4 e 454 361 etot -8.7697E+01 mv 1 72 48 -154 0 - 4 e 479 359 etot -8.8113E+01 mv 1 72 1 -91 0 - 4 e 618 323 etot -7.6987E+01 mv 1 72 162 -88 0 - 4 e 314 364 etot -8.6643E+01 mv 1 72 48 170 0 - 4 e 669 350 etot -7.8713E+01 mv 1 72 139 -161 0 - 4 e 253 387 etot -6.6706E+01 mv 1 72 51 104 0 - 4 e 89 404 etot -8.5867E+01 mv 0 72 81 0 0 - 4 e 589 333 etot -8.3162E+01 mv 1 72 193 -54 0 - 4 e 337 376 etot -8.7216E+01 mv 1 72 38 -21 0 - 4 e 2 410 etot -8.8359E+01 mv 0 72 139 0 0 - 4 e 116 402 etot -8.3618E+01 mv 0 72 64 0 0 - 4 e 2 411 etot -8.8216E+01 mv 0 72 36 0 0 - 4 e 102 403 etot -8.8134E+01 mv 0 72 79 0 0 - 4 e 276 383 etot -7.8532E+01 mv 1 72 47 138 0 - 4 e 11 409 etot -9.0761E+01 mv 0 72 24 0 0 c 24 0.0 0.0 - 4 e 2 414 etot -8.7603E+01 mv 0 72 183 0 0 - 4 e 2 412 etot -8.8115E+01 mv 0 72 1 0 0 - 4 e 12 408 etot -8.6119E+01 mv 0 72 128 0 0 c 128 0.0 0.0 -## N0 total= 21 close= 6 far= 0 %acc 28.6 -## N1 total= 99 close= 4 far= 0 %acc 4.0 -## N2 total= 100 close= 3 far= 1 %acc 4.0 -## N3 total= 0 close= 0 far= 0 %acc 0.0 -## N4 total= 0 close= 0 far= 0 %acc 0.0 -## N5 total= 0 close= 0 far= 0 %acc 0.0 -## N6 total= 200 close= 5 far= 0 %acc 2.5 -## N7 total= 0 close= 0 far= 0 %acc 0.0 -## N8 total= 0 close= 0 far= 0 %acc 0.0 -## N9 total= 0 close= 0 far= 0 %acc 0.0 -##N10 total= 0 close= 0 far= 0 %acc 0.0 -##N11 total= 0 close= 0 far= 0 %acc 0.0 -##N12 total= 0 close= 0 far= 0 %acc 0.0 -##N13 total= 0 close= 0 far= 0 %acc 0.0 -##N14 total= 0 close= 0 far= 0 %acc 0.0 -##N15 total= 0 close= 0 far= 0 %acc 0.0 -##N16 total= 0 close= 0 far= 0 %acc 0.0 -##N17 total= 0 close= 0 far= 0 %acc 0.0 -##N18 total= 0 close= 0 far= 0 %acc 0.0 - Time for refresh 73 0.32 - make_var : nseed= 20 ntry= 420 - Time for make trial 74 0.07 -Nonsetup time 145.07 sec, Eval/s = 64523.20 -Time for iter 74 1.79 sec, Eval/s = 64792.03 - UPDATING 420 - 4 e 57 413 etot -8.7700E+01 mv 0 72 48 0 0 c 48 0.1 0.0 - 4 e 389 399 etot -7.6338E+01 mv 1 72 122 -54 0 - 4 e 259 388 etot -8.6675E+01 mv 1 72 51 124 0 - 4 e 585 397 etot -8.7957E+01 mv 1 72 122 5 0 - 4 e 20 420 etot -8.8104E+01 mv 0 72 122 0 0 c 122 0.0 0.0 - 4 e 14 418 etot 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335 etot -8.1998E+01 mv 1 73 187 -6 0 - 4 e 333 304 etot -7.8343E+01 mv 1 73 47 -63 0 - 4 e 256 332 etot -8.3095E+01 mv 1 73 187 -41 0 - 4 e 473 315 etot -7.8040E+01 mv 1 73 79 -169 0 - 4 e 328 329 etot -6.9714E+01 mv 1 73 185 -160 0 - 4 e 488 314 etot -8.9604E+01 mv 1 73 79 -30 0 - 4 e 376 326 etot -8.2549E+01 mv 1 73 185 -146 0 - 4 e 540 308 etot -7.7241E+01 mv 1 73 64 -175 0 - -1 e 1 363 etot 2.0899E+20 mv 1 73 196 -51 0 - 4 e 546 306 etot -8.5187E+01 mv 1 73 64 -135 0 - 4 e 272 327 etot -5.0366E+01 mv 1 73 185 -136 0 - 4 e 138 351 etot -8.8215E+01 mv 1 73 36 184 0 - 4 e 492 296 etot -8.1454E+01 mv 2 73 124 -197 0 - 4 e 456 300 etot -8.2004E+01 mv 2 73 124 98 0 - 4 e 262 345 etot -9.0760E+01 mv 1 73 24 159 0 - 4 e 147 355 etot -8.8215E+01 mv 1 73 36 183 0 - -1 e 1 371 etot 1.3528E+20 mv 1 73 48 -131 0 - 4 e 319 339 etot -8.5360E+01 mv 1 73 145 139 0 - 4 e 207 349 etot -8.9075E+01 mv 1 73 161 -190 0 - 4 e 236 350 etot -8.8505E+01 mv 1 73 161 124 0 - 4 e 569 317 etot -8.0722E+01 mv 1 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etot -8.7699E+01 mv 1 73 48 -179 0 - -1 e 1 397 etot 1.1394E+22 mv 1 73 124 26 0 - 4 e 432 362 etot -8.3470E+01 mv 1 73 196 -135 0 - -1 e 1 399 etot 1.3528E+20 mv 1 73 124 80 0 - 4 e 331 375 etot -8.7699E+01 mv 1 73 48 -95 0 - -1 e 1 400 etot 1.3528E+20 mv 1 73 124 75 0 - 4 e 238 382 etot -7.5359E+01 mv 1 73 139 -196 0 - 4 e 521 354 etot -7.9452E+01 mv 1 73 36 -135 0 - 4 e 471 342 etot -7.7818E+01 mv 1 73 24 -52 0 - 4 e 10 404 etot -8.7212E+01 mv 0 73 81 0 0 c 81 0.0 0.0 - 4 e 261 381 etot -8.8359E+01 mv 1 73 139 147 0 - 4 e 498 359 etot -8.2435E+01 mv 1 73 1 -86 0 - 4 e 14 408 etot -8.5361E+01 mv 0 73 145 0 0 c 145 0.0 0.0 - 4 e 10 409 etot -9.0761E+01 mv 0 73 24 0 0 c 24 0.0 0.0 - 4 e 220 387 etot -9.0337E+01 mv 1 73 40 -200 0 c 40 1.0 0.0 - 4 e 429 370 etot -8.4013E+01 mv 1 73 153 -157 0 - 4 e 243 385 etot -8.8359E+01 mv 1 73 139 -46 0 - 4 e 2 411 etot -8.8216E+01 mv 0 73 36 0 0 - 4 e 2 412 etot -8.8115E+01 mv 0 73 1 0 0 - 4 e 524 360 etot -8.7938E+01 mv 1 73 1 -15 0 - 4 e 2 416 etot -8.7603E+01 mv 0 73 183 0 0 - 4 e 2 417 etot -8.8359E+01 mv 0 73 139 0 0 - 4 e 82 401 etot -8.7267E+01 mv 0 73 47 0 0 - 4 e 352 379 etot -8.2640E+01 mv 1 73 183 -150 0 -## N0 total= 19 close= 9 far= 0 %acc 47.4 -## N1 total= 101 close= 2 far= 0 %acc 2.0 -## N2 total= 100 close= 2 far= 0 %acc 2.0 -## N3 total= 0 close= 0 far= 0 %acc 0.0 -## N4 total= 0 close= 0 far= 0 %acc 0.0 -## N5 total= 0 close= 0 far= 0 %acc 0.0 -## N6 total= 200 close= 16 far= 3 %acc 9.5 -## N7 total= 0 close= 0 far= 0 %acc 0.0 -## N8 total= 0 close= 0 far= 0 %acc 0.0 -## N9 total= 0 close= 0 far= 0 %acc 0.0 -##N10 total= 0 close= 0 far= 0 %acc 0.0 -##N11 total= 0 close= 0 far= 0 %acc 0.0 -##N12 total= 0 close= 0 far= 0 %acc 0.0 -##N13 total= 0 close= 0 far= 0 %acc 0.0 -##N14 total= 0 close= 0 far= 0 %acc 0.0 -##N15 total= 0 close= 0 far= 0 %acc 0.0 -##N16 total= 0 close= 0 far= 0 %acc 0.0 -##N17 total= 0 close= 0 far= 0 %acc 0.0 -##N18 total= 0 close= 0 far= 0 %acc 0.0 - Time for refresh 74 0.27 - make_var : nseed= 20 ntry= 420 - Time for make trial 75 0.07 -Nonsetup time 146.95 sec, Eval/s = 64562.15 -Time for iter 75 1.88 sec, Eval/s = 67576.00 - UPDATING 420 - 4 e 123 406 etot -8.7059E+01 mv 0 73 185 0 0 c 185 1.8 0.0 - 4 e 92 407 etot -8.3096E+01 mv 0 73 187 0 0 - 4 e 310 394 etot -7.7938E+01 mv 1 73 96 108 0 - 4 e 66 414 etot -8.8055E+01 mv 0 73 153 0 0 c 153 0.3 0.0 - 4 e 366 391 etot -7.1330E+01 mv 1 73 96 -188 0 - 4 e 387 378 etot -7.3563E+01 mv 1 73 183 -76 0 - 4 e 611 380 etot -8.6429E+01 mv 1 73 183 119 0 - 4 e 505 392 etot -7.6470E+01 mv 1 73 96 -105 0 - 4 e 57 415 etot -8.7700E+01 mv 0 73 48 0 0 - 4 e 89 402 etot -8.5189E+01 mv 0 73 64 0 0 c 64 1.1 0.0 - 4 e 21 419 etot -8.8647E+01 mv 0 73 96 0 0 - 4 e 84 410 etot -8.9075E+01 mv 0 73 161 0 0 c 161 0.9 0.0 - 4 e 404 384 etot -7.8758E+01 mv 1 73 139 64 0 - 4 e 25 413 etot -8.8871E+01 mv 0 73 196 0 0 c 196 0.0 0.0 - 4 e 322 388 etot -7.7500E+01 mv 1 73 40 -151 0 - 4 e 279 395 etot -7.9811E+01 mv 1 73 96 -104 0 - 4 e 230 398 etot -8.7839E+01 mv 1 73 124 130 0 - -1 e 1 8 etot 1.3528E+20 mv 6 74 4 63 0 - 4 e 229 390 etot -9.0331E+01 mv 1 73 40 138 0 - 4 e 135 403 etot -8.9605E+01 mv 0 73 79 0 0 c 79 1.4 0.0 - 4 e 2 420 etot -8.8097E+01 mv 0 73 124 0 0 - -1 e 1 13 etot 1.3528E+20 mv 6 74 47 74 0 - 4 e 88 418 etot -9.0331E+01 mv 0 73 40 0 0 - 4 e 577 389 etot -8.9836E+01 mv 1 73 40 67 0 - 4 e 325 383 etot -7.6001E+01 mv 1 73 139 129 0 - 4 e 382 368 etot -8.6963E+01 mv 1 73 153 83 0 - 4 e 404 377 etot -7.7560E+01 mv 1 73 183 170 0 - -1 e 1 21 etot 1.3528E+20 mv 6 74 60 169 0 - 8 e 740 333 etot -5.1402E+01 mv 1 73 187 -116 0 - 4 e 117 405 etot -8.3071E+01 mv 0 73 108 0 0 - -1 e 1 22 etot 1.6860E+23 mv 6 74 60 162 0 - 4 e 262 393 etot -8.8646E+01 mv 1 73 96 89 0 - 4 e 476 386 etot -9.0330E+01 mv 1 73 40 73 0 - 4 e 285 396 etot -7.5796E+01 mv 1 73 124 62 0 - 4 e 526 357 etot -8.7937E+01 mv 1 73 1 -85 0 - 4 e 175 6 etot -6.8213E+01 mv 6 74 4 129 0 - 4 e 178 31 etot -8.8326E+01 mv 6 74 86 25 0 - -1 e 1 37 etot 1.3528E+20 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etot -7.4482E+01 mv 2 74 104 -93 0 - 4 e 660 200 etot -8.7424E+01 mv 6 74 183 38 0 - 4 e 484 247 etot -6.1978E+01 mv 2 74 187 -101 0 - 4 e 327 259 etot -4.9114E+01 mv 2 74 148 -45 0 - 4 e 227 270 etot -8.8215E+01 mv 2 74 36 32 0 - 4 e 222 271 etot -8.9262E+01 mv 2 74 8 168 0 - -1 e 1 291 etot 1.3528E+20 mv 2 74 59 63 0 - 4 e 302 267 etot -7.6270E+01 mv 2 74 36 123 0 - 4 e 587 221 etot -7.9888E+01 mv 2 74 96 -152 0 - 4 e 398 246 etot -8.2337E+01 mv 2 74 187 -33 0 - 4 e 235 274 etot -7.9792E+01 mv 2 74 8 -160 0 - 4 e 215 280 etot -8.8115E+01 mv 2 74 1 15 0 - 4 e 254 273 etot -8.8732E+01 mv 2 74 8 170 0 - 4 e 298 275 etot -7.8380E+01 mv 2 74 8 -147 0 - 4 e 394 250 etot -6.8613E+01 mv 2 74 187 -111 0 - -1 e 1 300 etot 1.3528E+20 mv 2 74 183 -123 0 - 4 e 549 253 etot -7.0193E+01 mv 2 74 189 -193 0 - 4 e 436 262 etot -7.8594E+01 mv 2 74 139 -110 0 - 4 e 497 258 etot -8.3543E+01 mv 2 74 148 -131 0 - 4 e 543 254 etot -7.1876E+01 mv 2 74 189 -195 0 - 4 e 253 281 etot -7.2762E+01 mv 2 74 196 -70 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139 32 0 - 4 e 281 363 etot -7.5294E+01 mv 1 74 139 23 0 - 4 e 539 317 etot -7.8214E+01 mv 1 74 86 -89 0 - 4 e 245 357 etot -8.5769E+01 mv 1 74 148 -106 0 - 4 e 315 362 etot -7.4361E+01 mv 1 74 139 -106 0 - 4 e 513 327 etot -7.7506E+01 mv 1 74 103 -62 0 - 4 e 289 366 etot -8.8215E+01 mv 1 74 36 -56 0 - -1 e 1 393 etot 1.3528E+20 mv 1 74 59 -55 0 - 4 e 543 346 etot -7.8711E+01 mv 1 74 187 -105 0 - 4 e 192 375 etot -8.9262E+01 mv 1 74 8 137 0 - 4 e 291 369 etot -8.1733E+01 mv 1 74 36 87 0 - 4 e 565 348 etot -8.3106E+01 mv 1 74 187 -143 0 - 4 e 232 374 etot -8.9200E+01 mv 1 74 8 45 0 - -1 e 1 399 etot 1.3528E+20 mv 1 74 183 -60 0 - 4 e 288 371 etot -6.7610E+01 mv 1 74 8 -7 0 - 4 e 526 355 etot -8.6605E+01 mv 1 74 189 -121 0 - 4 e 617 349 etot -7.0216E+01 mv 1 74 187 -114 0 - 4 e 295 372 etot -7.8949E+01 mv 1 74 8 -89 0 - 4 e 242 381 etot -8.8871E+01 mv 1 74 196 82 0 - 4 e 223 383 etot -8.8871E+01 mv 1 74 196 -152 0 - 4 e 387 370 etot -8.5599E+01 mv 1 74 36 -181 0 - 4 e 242 385 etot -8.8871E+01 mv 1 74 196 -24 0 - 4 e 260 382 etot -7.8111E+01 mv 1 74 196 -47 0 - 4 e 107 401 etot -8.6504E+01 mv 0 74 4 0 0 c 4 0.6 0.0 - 4 e 58 407 etot -9.2543E+01 mv 0 74 104 0 0 c 104 0.2 0.0 - 4 e 62 408 etot -8.5823E+01 mv 0 74 108 0 0 c 108 0.3 0.0 - 4 e 272 397 etot -7.4891E+01 mv 1 74 183 75 0 - 4 e 493 377 etot -8.8112E+01 mv 1 74 1 -17 0 - 4 e 92 404 etot -8.9248E+01 mv 0 74 86 0 0 c 86 0.4 0.0 - 4 e 393 387 etot -8.8082E+01 mv 1 74 122 -147 0 - 4 e 277 391 etot -8.7893E+01 mv 1 74 59 30 0 - 4 e 188 410 etot -8.3107E+01 mv 0 74 187 0 0 c 187 1.7 0.0 - 4 e 120 403 etot -8.2998E+01 mv 0 74 60 0 0 - 4 e 303 396 etot -7.4885E+01 mv 1 74 183 -92 0 -## N0 total= 18 close= 11 far= 0 %acc 61.1 -## N1 total= 102 close= 2 far= 1 %acc 2.9 -## N2 total= 100 close= 7 far= 0 %acc 7.0 -## N3 total= 0 close= 0 far= 0 %acc 0.0 -## N4 total= 0 close= 0 far= 0 %acc 0.0 -## N5 total= 0 close= 0 far= 0 %acc 0.0 -## N6 total= 200 close= 12 far= 0 %acc 6.0 -## N7 total= 0 close= 0 far= 0 %acc 0.0 -## N8 total= 0 close= 0 far= 0 %acc 0.0 -## N9 total= 0 close= 0 far= 0 %acc 0.0 -##N10 total= 0 close= 0 far= 0 %acc 0.0 -##N11 total= 0 close= 0 far= 0 %acc 0.0 -##N12 total= 0 close= 0 far= 0 %acc 0.0 -##N13 total= 0 close= 0 far= 0 %acc 0.0 -##N14 total= 0 close= 0 far= 0 %acc 0.0 -##N15 total= 0 close= 0 far= 0 %acc 0.0 -##N16 total= 0 close= 0 far= 0 %acc 0.0 -##N17 total= 0 close= 0 far= 0 %acc 0.0 -##N18 total= 0 close= 0 far= 0 %acc 0.0 - Time for refresh 75 0.27 - make_var : nseed= 20 ntry= 420 - Time for make trial 76 0.14 -Nonsetup time 148.79 sec, Eval/s = 64589.59 -Time for iter 76 1.84 sec, Eval/s = 66780.67 - UPDATING 420 - 4 e 463 398 etot -8.2824E+01 mv 1 74 183 -195 0 - 4 e 515 384 etot -8.4451E+01 mv 1 74 196 -19 0 - 4 e 75 412 etot -8.7247E+01 mv 0 74 148 0 0 c 148 0.6 0.0 - 4 e 2 413 etot -8.8359E+01 mv 0 74 139 0 0 - 4 e 614 394 etot -8.4224E+01 mv 1 74 59 -125 0 - 4 e 2 414 etot -8.8216E+01 mv 0 74 36 0 0 - 4 e 18 415 etot -8.9262E+01 mv 0 74 8 0 0 c 8 0.0 0.0 - 4 e 2 416 etot -8.8115E+01 mv 0 74 1 0 0 - 4 e 410 395 etot -8.7892E+01 mv 1 74 59 130 0 - 4 e 25 417 etot -8.8871E+01 mv 0 74 196 0 0 - 4 e 13 418 etot -8.8104E+01 mv 0 74 122 0 0 c 122 0.0 0.0 - 4 e 103 419 etot -8.7893E+01 mv 0 74 59 0 0 c 59 0.4 0.0 - 4 e 2 420 etot -8.7603E+01 mv 0 74 183 0 0 - 4 e 546 367 etot -7.5646E+01 mv 1 74 36 -92 0 - 4 e 133 405 etot -8.8873E+01 mv 0 74 96 0 0 c 96 1.3 0.0 - 4 e 407 388 etot -8.2058E+01 mv 1 74 122 -41 0 - 4 e 104 409 etot -8.3090E+01 mv 0 74 155 0 0 c 155 1.8 0.0 - 4 e 346 380 etot -8.8113E+01 mv 1 74 1 27 0 - 4 e 187 411 etot -8.3817E+01 mv 0 74 189 0 0 c 189 0.8 0.0 - 4 e 371 379 etot -7.6350E+01 mv 1 74 1 12 0 - 4 e 143 406 etot -8.8110E+01 mv 0 74 103 0 0 c 103 0.8 0.0 - 4 e 134 402 etot -8.7719E+01 mv 0 74 47 0 0 c 47 1.4 0.0 - 4 e 179 400 etot -8.7603E+01 mv 1 74 183 86 0 - 4 e 355 386 etot -8.8082E+01 mv 1 74 122 200 0 - 4 e 625 392 etot -8.1436E+01 mv 1 74 59 46 0 - -1 e 1 18 etot 1.3528E+20 mv 6 75 100 81 0 - 4 e 173 390 etot 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300 364 etot -8.6456E+01 mv 1 75 124 -121 0 - 4 e 248 371 etot -8.7719E+01 mv 1 75 47 -28 0 - 4 e 172 379 etot -8.7603E+01 mv 1 75 183 117 0 - 4 e 157 383 etot -8.7971E+01 mv 1 75 59 -106 0 c 59 1.5 0.1 - 4 e 659 318 etot -7.8672E+01 mv 1 75 189 -79 0 - 4 e 179 385 etot -8.7893E+01 mv 1 75 59 -144 0 - 4 e 136 392 etot -8.7383E+01 mv 1 75 174 126 0 - 4 e 136 395 etot -6.6562E+01 mv 1 75 174 77 0 - 4 e 349 372 etot -8.7719E+01 mv 1 75 47 -130 0 - 4 e 18 406 etot -8.9400E+01 mv 0 75 168 0 0 c 168 0.0 0.0 - 4 e 114 402 etot -8.5612E+01 mv 0 75 100 0 0 - 4 e 2 409 etot -8.8359E+01 mv 0 75 139 0 0 - 4 e 416 365 etot -8.7072E+01 mv 1 75 124 -23 0 - 4 e 18 408 etot -8.9262E+01 mv 0 75 8 0 0 - 4 e 2 411 etot -8.8115E+01 mv 0 75 1 0 0 - 4 e 346 359 etot -8.8870E+01 mv 1 75 196 60 0 - 4 e 10 410 etot -8.8207E+01 mv 0 75 101 0 0 c 101 0.0 0.0 - 4 e 40 407 etot -8.9075E+01 mv 0 75 161 0 0 c 161 0.0 0.0 - 4 e 2 413 etot -8.8097E+01 mv 0 75 124 0 0 - 4 e 450 363 etot -8.7838E+01 mv 1 75 124 -156 0 - 4 e 2 418 etot -8.7592E+01 mv 0 75 200 0 0 - 4 e 2 416 etot -8.7603E+01 mv 0 75 183 0 0 -## N0 total= 24 close= 12 far= 0 %acc 50.0 -## N1 total= 96 close= 2 far= 0 %acc 2.1 -## N2 total= 100 close= 1 far= 0 %acc 1.0 -## N3 total= 0 close= 0 far= 0 %acc 0.0 -## N4 total= 0 close= 0 far= 0 %acc 0.0 -## N5 total= 0 close= 0 far= 0 %acc 0.0 -## N6 total= 200 close= 13 far= 0 %acc 6.5 -## N7 total= 0 close= 0 far= 0 %acc 0.0 -## N8 total= 0 close= 0 far= 0 %acc 0.0 -## N9 total= 0 close= 0 far= 0 %acc 0.0 -##N10 total= 0 close= 0 far= 0 %acc 0.0 -##N11 total= 0 close= 0 far= 0 %acc 0.0 -##N12 total= 0 close= 0 far= 0 %acc 0.0 -##N13 total= 0 close= 0 far= 0 %acc 0.0 -##N14 total= 0 close= 0 far= 0 %acc 0.0 -##N15 total= 0 close= 0 far= 0 %acc 0.0 -##N16 total= 0 close= 0 far= 0 %acc 0.0 -##N17 total= 0 close= 0 far= 0 %acc 0.0 -##N18 total= 0 close= 0 far= 0 %acc 0.0 - Time for refresh 76 0.30 - make_var : nseed= 20 ntry= 420 - Time for make trial 77 0.07 -Nonsetup time 150.57 sec, Eval/s = 64630.22 -Time for iter 77 1.78 sec, Eval/s = 68024.70 - UPDATING 420 - 4 e 312 381 etot -8.7892E+01 mv 1 75 59 39 0 - 4 e 494 367 etot -7.5484E+01 mv 1 75 36 197 0 - 4 e 98 415 etot -8.7719E+01 mv 0 75 47 0 0 - 4 e 2 419 etot -8.7384E+01 mv 0 75 174 0 0 - 4 e 408 384 etot -8.7892E+01 mv 1 75 59 -103 0 - 4 e 100 404 etot -8.3817E+01 mv 0 75 189 0 0 - 4 e 161 400 etot -8.7381E+01 mv 1 75 41 109 0 - 4 e 299 391 etot -8.7184E+01 mv 1 75 174 -87 0 - 4 e 199 397 etot -8.6497E+01 mv 1 75 41 135 0 - 4 e 290 382 etot -8.6177E+01 mv 1 75 59 -108 0 - 4 e 159 401 etot -8.3938E+01 mv 0 75 60 0 0 c 60 2.0 0.0 - 4 e 240 388 etot -8.6775E+01 mv 1 75 200 198 0 - 4 e 13 412 etot -8.8871E+01 mv 0 75 196 0 0 c 196 0.0 0.0 - 4 e 2 420 etot -8.7381E+01 mv 0 75 41 0 0 - 4 e 574 377 etot -7.3444E+01 mv 1 75 183 -82 0 - 4 e 103 417 etot -8.7893E+01 mv 0 75 59 0 0 - 4 e 281 390 etot -6.6528E+01 mv 1 75 200 -62 0 - -1 e 1 9 etot 1.3528E+20 mv 6 76 47 38 0 - 4 e 324 393 etot -7.3206E+01 mv 1 75 174 104 0 - 4 e 351 378 etot -7.8553E+01 mv 1 75 183 -13 0 - 4 e 235 399 etot -8.4196E+01 mv 1 75 41 -79 0 - -1 e 1 12 etot 1.3528E+20 mv 6 76 59 58 0 - 4 e 63 405 etot -8.5039E+01 mv 0 75 159 0 0 c 159 0.2 0.0 - -1 e 1 15 etot 1.3528E+20 mv 6 76 59 104 0 - -1 e 1 16 etot 1.3528E+20 mv 6 76 59 144 0 - 4 e 281 387 etot -7.6960E+01 mv 1 75 200 86 0 - 4 e 356 376 etot -8.7603E+01 mv 1 75 183 76 0 - 4 e 111 403 etot -8.6454E+01 mv 0 75 119 0 0 c 119 1.4 0.0 - 4 e 325 386 etot -8.5877E+01 mv 1 75 200 -133 0 - 4 e 363 374 etot -8.6230E+01 mv 1 75 47 -107 0 - 4 e 415 389 etot -6.7328E+01 mv 1 75 200 -142 0 - 4 e 208 396 etot -8.7381E+01 mv 1 75 41 73 0 - 4 e 123 398 etot -8.7381E+01 mv 1 75 41 -77 0 - 4 e 325 375 etot -8.2720E+01 mv 1 75 47 97 0 - 4 e 2 414 etot -8.8216E+01 mv 0 75 36 0 0 - -1 e 1 11 etot 1.3528E+20 mv 6 76 59 177 0 - 4 e 228 20 etot -7.4275E+01 mv 6 76 59 77 0 - 4 e 227 3 etot -8.4780E+01 mv 6 76 47 63 0 - 4 e 229 5 etot -8.7800E+01 mv 6 76 47 116 0 - 4 e 263 34 etot -8.2892E+01 mv 6 76 96 11 0 - -1 e 1 40 etot 2.2966E+24 mv 6 76 96 134 0 - 4 e 269 30 etot -9.0648E+01 mv 6 76 67 47 0 - 4 e 271 31 etot -8.5756E+01 mv 6 76 96 184 0 c 184 120.0 1.5 - 4 e 283 35 etot -8.9097E+01 mv 6 76 96 118 0 - 4 e 273 23 etot -8.6829E+01 mv 6 76 67 86 0 - 4 e 277 13 etot -8.2810E+01 mv 6 76 59 197 0 - 4 e 296 7 etot -8.5084E+01 mv 6 76 47 156 0 - 4 e 292 2 etot -7.3519E+01 mv 6 76 47 64 0 - 4 e 291 21 etot -8.0332E+01 mv 6 76 67 91 0 - 4 e 36 41 etot -8.5840E+01 mv 6 76 100 132 0 c 132 0.1 0.0 - 4 e 292 10 etot -8.2527E+01 mv 6 76 47 8 0 - 4 e 22 46 etot -8.4942E+01 mv 6 76 100 65 0 c 65 0.0 0.0 - 4 e 309 29 etot -8.6479E+01 mv 6 76 67 155 0 - 4 e 306 14 etot -8.2473E+01 mv 6 76 59 32 0 - 4 e 371 6 etot -7.4715E+01 mv 6 76 47 143 0 - 4 e 36 49 etot -8.4932E+01 mv 6 76 100 7 0 c 7 0.1 0.0 - 4 e 294 36 etot -8.9097E+01 mv 6 76 96 16 0 - 4 e 347 32 etot -8.9097E+01 mv 6 76 96 85 0 - 4 e 360 26 etot -8.5882E+01 mv 6 76 67 15 0 - 4 e 381 28 etot -8.8709E+01 mv 6 76 67 177 0 - 4 e 379 19 etot -8.7891E+01 mv 6 76 59 66 0 - 4 e 395 1 etot -7.7879E+01 mv 6 76 47 154 0 - 4 e 147 55 etot -7.1455E+01 mv 6 76 108 189 0 - 4 e 435 24 etot -8.0365E+01 mv 6 76 67 95 0 - 4 e 213 47 etot -8.8415E+01 mv 6 76 100 3 0 c 100 68.7 1.0 - 4 e 427 17 etot -8.1252E+01 mv 6 76 59 147 0 - 4 e 145 53 etot -6.6054E+01 mv 6 76 108 121 0 - 4 e 448 25 etot -7.9960E+01 mv 6 76 67 129 0 - 4 e 545 4 etot -8.2361E+01 mv 6 76 47 84 0 - 4 e 542 22 etot -9.0644E+01 mv 6 76 67 52 0 - -1 e 1 70 etot 1.3528E+20 mv 6 76 156 41 0 - 4 e 176 59 etot -8.6705E+01 mv 6 76 108 196 0 - 4 e 267 37 etot -8.8267E+01 mv 6 76 96 65 0 - 4 e 575 27 etot -8.7474E+01 mv 6 76 67 35 0 - 4 e 261 51 etot -8.7382E+01 mv 6 76 108 10 0 - 4 e 541 33 etot -8.8919E+01 mv 6 76 96 70 0 - 4 e 149 69 etot -8.3482E+01 mv 6 76 156 125 0 c 156 2.4 0.0 - 4 e 296 42 etot -8.3207E+01 mv 6 76 100 85 0 - 4 e 143 66 etot -8.3482E+01 mv 6 76 156 86 0 c 156 1.5 0.0 - 4 e 640 18 etot -8.3070E+01 mv 6 76 59 114 0 - 4 e 359 56 etot -8.4926E+01 mv 6 76 108 134 0 - 4 e 313 50 etot -8.0990E+01 mv 6 76 100 83 0 - 4 e 304 48 etot -7.9081E+01 mv 6 76 100 125 0 - 4 e 250 65 etot -8.7445E+01 mv 6 76 156 122 0 - 4 e 175 68 etot -8.1830E+01 mv 6 76 156 85 0 - 4 e 347 57 etot -8.0790E+01 mv 6 76 108 63 0 - 4 e 434 52 etot -8.0480E+01 mv 6 76 108 175 0 - 4 e 726 8 etot -8.3282E+01 mv 6 76 47 198 0 - 4 e 383 43 etot -8.5644E+01 mv 6 76 100 9 0 - 4 e 491 54 etot -7.2397E+01 mv 6 76 108 62 0 - 4 e 190 74 etot -6.5311E+01 mv 6 76 189 150 0 - 4 e 536 45 etot -7.3039E+01 mv 6 76 100 127 0 - 4 e 207 73 etot -8.4119E+01 mv 6 76 189 14 0 c 189 35.1 0.0 - 4 e 628 39 etot -8.7063E+01 mv 6 76 96 196 0 - 4 e 297 71 etot -8.4119E+01 mv 6 76 189 129 0 - -1 e 1 95 etot 1.3528E+20 mv 6 76 139 124 0 - 4 e 462 38 etot -7.9410E+01 mv 6 76 96 108 0 - 4 e 421 63 etot -7.7207E+01 mv 6 76 156 48 0 - 4 e 102 91 etot -8.3346E+01 mv 6 76 139 199 0 - 4 e 443 64 etot -8.4945E+01 mv 6 76 156 162 0 - 4 e 237 80 etot -8.3506E+01 mv 6 76 189 191 0 - 4 e 371 72 etot -8.4119E+01 mv 6 76 189 35 0 - 4 e 369 60 etot -8.6712E+01 mv 6 76 108 81 0 - 4 e 433 58 etot -7.7028E+01 mv 6 76 108 183 0 - 4 e 235 85 etot -8.2910E+01 mv 6 76 24 120 0 - 4 e 141 96 etot -7.8212E+01 mv 6 76 139 103 0 - 4 e 505 61 etot -8.5646E+01 mv 6 76 156 32 0 - 4 e 197 93 etot -8.7538E+01 mv 6 76 139 94 0 - 4 e 447 62 etot -8.3058E+01 mv 6 76 156 64 0 - 4 e 113 100 etot -7.3209E+01 mv 6 76 139 85 0 - 4 e 242 78 etot -8.5976E+01 mv 6 76 189 185 0 c 144 292.3 0.2 - -1 e 1 111 etot 1.3528E+20 mv 6 76 1 152 0 - 4 e 553 44 etot -8.7414E+01 mv 6 76 100 112 0 - 4 e 335 81 etot -8.2822E+01 mv 6 76 24 156 0 - 4 e 380 67 etot -7.1370E+01 mv 6 76 156 56 0 - 4 e 285 83 etot -8.1268E+01 mv 6 76 24 170 0 - 4 e 261 92 etot -8.4002E+01 mv 6 76 139 149 0 - 4 e 281 94 etot -8.8359E+01 mv 6 76 139 43 0 - 4 e 352 88 etot -8.3257E+01 mv 6 76 24 103 0 - 4 e 335 90 etot -9.0760E+01 mv 6 76 24 103 0 - 4 e 192 102 etot -7.8456E+01 mv 6 76 36 133 0 - 4 e 245 99 etot -7.5323E+01 mv 6 76 139 110 0 - 4 e 406 86 etot 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0 - 4 e 519 136 etot -8.4196E+01 mv 6 76 200 87 0 - 4 e 217 161 etot -8.4430E+01 mv 6 76 122 143 0 - 4 e 122 173 etot -8.5692E+01 mv 6 76 161 45 0 - 4 e 547 138 etot -7.5419E+01 mv 6 76 200 4 0 - 4 e 178 169 etot -8.6446E+01 mv 6 76 122 184 0 - -1 e 1 190 etot 1.3528E+20 mv 6 76 38 12 0 - 4 e 296 158 etot -8.6484E+01 mv 6 76 124 86 0 - 4 e 148 170 etot -6.7151E+01 mv 6 76 122 176 0 - 4 e 383 154 etot -8.0365E+01 mv 6 76 124 52 0 - 4 e 430 149 etot -8.3821E+01 mv 6 76 180 158 0 - 4 e 85 189 etot -8.7921E+01 mv 6 76 38 193 0 c 193 0.4 0.0 - 4 e 318 166 etot -8.4950E+01 mv 6 76 122 12 0 - 4 e 234 175 etot -7.1043E+01 mv 6 76 161 29 0 - -1 e 1 198 etot 1.3528E+20 mv 6 76 81 195 0 - 4 e 252 177 etot -8.9074E+01 mv 6 76 161 71 0 - 4 e 277 172 etot -8.9074E+01 mv 6 76 161 103 0 - 4 e 699 137 etot -8.4780E+01 mv 6 76 200 57 0 - 4 e 254 162 etot -8.8103E+01 mv 6 76 122 16 0 - 4 e 428 159 etot -8.7393E+01 mv 6 76 124 168 0 - 4 e 311 152 etot -8.6960E+01 mv 6 76 124 118 0 - 4 e 260 179 etot 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139 0 0 - 4 e 297 376 etot -8.4054E+01 mv 1 76 124 -151 0 - 4 e 2 411 etot -8.8216E+01 mv 0 76 36 0 0 - 4 e 2 412 etot -8.8115E+01 mv 0 76 1 0 0 - 4 e 2 413 etot -8.7603E+01 mv 0 76 183 0 0 - 4 e 657 339 etot -8.2368E+01 mv 1 76 189 -67 0 - 4 e 2 414 etot -8.7592E+01 mv 0 76 200 0 0 - 4 e 2 416 etot -8.8097E+01 mv 0 76 124 0 0 - 4 e 192 385 etot -8.8104E+01 mv 1 76 122 4 0 - 4 e 61 401 etot -8.7801E+01 mv 0 76 47 0 0 c 47 0.3 0.0 -## N0 total= 18 close= 5 far= 0 %acc 27.8 -## N1 total= 102 close= 3 far= 0 %acc 2.9 -## N2 total= 100 close= 1 far= 0 %acc 1.0 -## N3 total= 0 close= 0 far= 0 %acc 0.0 -## N4 total= 0 close= 0 far= 0 %acc 0.0 -## N5 total= 0 close= 0 far= 0 %acc 0.0 -## N6 total= 200 close= 12 far= 0 %acc 6.0 -## N7 total= 0 close= 0 far= 0 %acc 0.0 -## N8 total= 0 close= 0 far= 0 %acc 0.0 -## N9 total= 0 close= 0 far= 0 %acc 0.0 -##N10 total= 0 close= 0 far= 0 %acc 0.0 -##N11 total= 0 close= 0 far= 0 %acc 0.0 -##N12 total= 0 close= 0 far= 0 %acc 0.0 -##N13 total= 0 close= 0 far= 0 %acc 0.0 -##N14 total= 0 close= 0 far= 0 %acc 0.0 -##N15 total= 0 close= 0 far= 0 %acc 0.0 -##N16 total= 0 close= 0 far= 0 %acc 0.0 -##N17 total= 0 close= 0 far= 0 %acc 0.0 -##N18 total= 0 close= 0 far= 0 %acc 0.0 - Time for refresh 77 0.27 - make_var : nseed= 20 ntry= 420 - Time for make trial 78 0.08 -Nonsetup time 152.26 sec, Eval/s = 64649.64 -Time for iter 78 1.69 sec, Eval/s = 66378.49 - UPDATING 420 - 4 e 330 383 etot -8.7126E+01 mv 1 76 122 -195 0 - 4 e 16 418 etot -8.9075E+01 mv 0 76 161 0 0 c 161 0.0 0.0 - 4 e 87 407 etot -8.3482E+01 mv 0 76 156 0 0 - 4 e 491 369 etot -8.7343E+01 mv 1 76 200 122 0 - 4 e 379 372 etot -8.0462E+01 mv 1 76 180 -92 0 - 4 e 344 394 etot -7.4072E+01 mv 1 76 38 168 0 - 4 e 69 406 etot -8.6115E+01 mv 0 76 108 0 0 c 108 0.5 0.0 - 4 e 101 405 etot -8.7417E+01 mv 0 76 100 0 0 - 4 e 229 395 etot -8.7217E+01 mv 1 76 38 89 0 - 4 e 422 396 etot -7.9076E+01 mv 1 76 81 178 0 - 4 e 69 417 etot -8.8104E+01 mv 0 76 122 0 0 c 122 0.4 0.0 - 4 e 228 397 etot 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mv 2 77 12 -111 0 - 4 e 306 224 etot -8.5641E+01 mv 2 77 189 -7 0 c 189 6.9 0.0 - 4 e 129 256 etot -6.3818E+01 mv 2 77 196 28 0 - 4 e 166 251 etot -8.8207E+01 mv 2 77 101 -34 0 - 4 e 152 254 etot -8.8207E+01 mv 2 77 101 186 0 - 4 e 382 232 etot -7.3334E+01 mv 2 77 40 -46 0 - -1 e 1 266 etot 1.3528E+20 mv 2 77 124 74 0 - -1 e 1 268 etot 1.3528E+20 mv 2 77 124 -51 0 - 4 e 264 244 etot -8.8115E+01 mv 2 77 1 195 0 - 4 e 260 245 etot -8.8115E+01 mv 2 77 1 2 0 - 4 e 317 240 etot -8.0335E+01 mv 2 77 36 175 0 - 4 e 702 209 etot -7.5959E+01 mv 2 77 144 -117 0 - 4 e 171 250 etot -8.7971E+01 mv 2 77 59 126 0 c 59 0.6 0.0 - 4 e 350 243 etot -8.0975E+01 mv 2 77 1 13 0 - 4 e 465 217 etot -7.0521E+01 mv 2 77 184 -56 0 - 4 e 332 248 etot -8.1454E+01 mv 2 77 59 -65 0 - 4 e 198 261 etot -8.7800E+01 mv 2 77 47 12 0 - 4 e 433 239 etot -8.3499E+01 mv 2 77 36 159 0 - 4 e 624 193 etot -9.1813E+01 mv 6 77 41 117 0 - 4 e 415 246 etot -8.7970E+01 mv 2 77 59 183 0 - 4 e 603 228 etot -7.2037E+01 mv 2 77 12 -142 0 - 4 e 315 258 etot -8.8827E+01 mv 2 77 196 -59 0 - 4 e 189 263 etot -7.5497E+01 mv 2 77 47 -169 0 - 4 e 234 264 etot -8.6313E+01 mv 2 77 47 -36 0 - 4 e 350 259 etot -6.7193E+01 mv 2 77 196 -43 0 - -1 e 1 286 etot 1.3528E+20 mv 2 77 122 24 0 - 4 e 332 260 etot -8.8501E+01 mv 2 77 196 130 0 - 4 e 257 265 etot -7.8454E+01 mv 2 77 47 -149 0 - 4 e 427 253 etot -8.4025E+01 mv 2 77 101 -13 0 - -1 e 1 290 etot 1.3528E+20 mv 2 77 122 -138 0 - 4 e 536 225 etot -8.2280E+01 mv 2 77 189 -145 0 - 4 e 581 220 etot -7.7090E+01 mv 2 77 184 -33 0 - -1 e 1 292 etot 1.3528E+20 mv 2 77 174 -115 0 - 4 e 501 249 etot -8.6424E+01 mv 2 77 59 -128 0 - 4 e 514 226 etot -8.5245E+01 mv 2 77 12 100 0 - 4 e 508 252 etot -6.7179E+01 mv 2 77 101 -92 0 - 4 e 180 274 etot -8.8964E+01 mv 2 77 8 -149 0 - 4 e 475 257 etot -7.9492E+01 mv 2 77 196 -7 0 - 4 e 443 262 etot -8.3351E+01 mv 2 77 47 186 0 - 4 e 355 271 etot -8.9261E+01 mv 2 77 8 -97 0 - 4 e 649 247 etot -7.7800E+01 mv 2 77 59 30 0 - 4 e 184 285 etot -8.7592E+01 mv 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etot -7.9342E+01 mv 2 77 183 -200 0 - 4 e 441 278 etot -7.7540E+01 mv 2 77 183 59 0 - 4 e 372 288 etot -7.6849E+01 mv 2 77 122 -158 0 - -1 e 1 326 etot 1.3528E+20 mv 1 77 12 -91 0 - 4 e 311 297 etot -7.8312E+01 mv 2 77 41 -29 0 - 4 e 208 298 etot -8.5802E+01 mv 2 77 41 46 0 - 4 e 238 305 etot -8.8415E+01 mv 1 77 100 -66 0 - 4 e 345 280 etot -8.7603E+01 mv 2 77 183 70 0 - 4 e 666 270 etot -8.8096E+01 mv 2 77 124 -193 0 - 4 e 270 293 etot -7.1286E+01 mv 2 77 174 -52 0 - 4 e 264 296 etot -8.4589E+01 mv 2 77 41 99 0 - 4 e 331 303 etot -7.5392E+01 mv 1 77 100 -164 0 - 4 e 256 316 etot -8.4745E+01 mv 1 77 184 -47 0 - 4 e 349 300 etot -8.7380E+01 mv 2 77 41 179 0 - 4 e 120 328 etot -6.0739E+01 mv 1 77 12 -102 0 - 4 e 194 317 etot -6.6871E+01 mv 1 77 184 -87 0 - 4 e 414 299 etot -8.0364E+01 mv 2 77 41 121 0 - 4 e 429 301 etot -8.8413E+01 mv 1 77 100 -171 0 - 4 e 361 311 etot -7.1009E+01 mv 1 77 156 -137 0 - 4 e 270 320 etot -8.5756E+01 mv 1 77 184 -92 0 - -1 e 1 341 etot 1.3528E+20 mv 1 77 1 161 0 - 4 e 339 314 etot -8.3928E+01 mv 1 77 156 -11 0 - 4 e 175 327 etot -8.4951E+01 mv 1 77 12 -163 0 - 4 e 345 315 etot -8.2643E+01 mv 1 77 156 -165 0 - 4 e 362 294 etot -7.5614E+01 mv 2 77 174 164 0 - 4 e 476 302 etot -8.0898E+01 mv 1 77 100 -31 0 - 4 e 419 310 etot -8.6820E+01 mv 1 77 144 -23 0 - 4 e 444 307 etot -8.6041E+01 mv 1 77 144 -179 0 - 4 e 232 330 etot -8.1588E+01 mv 1 77 12 -93 0 - 4 e 708 282 etot -8.2323E+01 mv 2 77 200 106 0 - 4 e 172 336 etot -8.8215E+01 mv 1 77 36 17 0 - 4 e 150 338 etot -8.8215E+01 mv 1 77 36 149 0 - 4 e 234 335 etot -9.0337E+01 mv 1 77 40 54 0 - 4 e 197 331 etot -9.0331E+01 mv 1 77 40 -52 0 - 4 e 183 340 etot -7.7227E+01 mv 1 77 36 -49 0 - 4 e 212 329 etot -6.7416E+01 mv 1 77 12 -42 0 - 4 e 540 284 etot -6.2272E+01 mv 2 77 200 -60 0 - 4 e 207 343 etot -8.8115E+01 mv 1 77 1 170 0 - 4 e 457 325 etot -8.0126E+01 mv 1 77 189 -89 0 - 4 e 579 309 etot -7.7276E+01 mv 1 77 144 -182 0 - -1 e 1 363 etot 1.3528E+20 mv 1 77 47 26 0 - 4 e 243 342 etot -6.9321E+01 mv 1 77 1 -175 0 - 4 e 242 344 etot -7.1652E+01 mv 1 77 1 -96 0 - -1 e 1 366 etot 1.3528E+20 mv 1 77 124 155 0 - 4 e 474 324 etot -8.4910E+01 mv 1 77 189 -170 0 - 4 e 399 332 etot -9.0336E+01 mv 1 77 40 88 0 - -1 e 1 369 etot 1.3528E+20 mv 1 77 124 195 0 - 4 e 161 355 etot -8.8207E+01 mv 1 77 101 -102 0 - 4 e 455 304 etot -8.1755E+01 mv 1 77 100 -95 0 - -1 e 1 371 etot 1.3528E+20 mv 1 77 8 -109 0 - 4 e 626 318 etot -7.7129E+01 mv 1 77 184 -117 0 - -1 e 1 374 etot 1.3528E+20 mv 1 77 8 -55 0 - 4 e 392 337 etot -8.8214E+01 mv 1 77 36 109 0 - 4 e 309 347 etot -8.9865E+01 mv 1 77 59 25 0 - -1 e 1 377 etot 1.3528E+20 mv 1 77 183 -154 0 - 4 e 622 323 etot -8.6231E+01 mv 1 77 189 -190 0 c 189 133.6 0.6 - 4 e 282 350 etot -8.7971E+01 mv 1 77 59 141 0 - 4 e 656 321 etot -7.9702E+01 mv 1 77 189 -94 0 - 4 e 203 356 etot -8.8871E+01 mv 1 77 196 -178 0 - 4 e 124 360 etot -8.8871E+01 mv 1 77 196 101 0 - 4 e 177 368 etot -8.8097E+01 mv 1 77 124 -156 0 - 4 e 318 353 etot -7.6870E+01 mv 1 77 101 -7 0 - 4 e 265 358 etot -8.2173E+01 mv 1 77 196 45 0 - 4 e 393 333 etot -9.1458E+01 mv 1 77 40 -140 0 - -1 e 1 387 etot 1.8249E+21 mv 1 77 122 -60 0 - 4 e 404 351 etot -8.8205E+01 mv 1 77 101 -153 0 - 4 e 167 375 etot -8.9262E+01 mv 1 77 8 -12 0 - 4 e 496 345 etot -8.2934E+01 mv 1 77 1 66 0 - 4 e 503 346 etot -8.6337E+01 mv 1 77 59 -187 0 - 4 e 418 354 etot -8.4768E+01 mv 1 77 101 -21 0 - 4 e 244 373 etot -8.9262E+01 mv 1 77 8 -140 0 - 4 e 325 361 etot -7.0490E+01 mv 1 77 47 -182 0 - 4 e 202 378 etot -8.7603E+01 mv 1 77 183 44 0 - 4 e 456 352 etot -8.8205E+01 mv 1 77 101 27 0 - 4 e 446 334 etot -8.9844E+01 mv 1 77 40 179 0 - 4 e 376 364 etot -8.7339E+01 mv 1 77 47 -109 0 - 4 e 357 367 etot -8.3243E+01 mv 1 77 124 52 0 - 4 e 214 372 etot -8.8964E+01 mv 1 77 8 196 0 - 4 e 532 349 etot -8.7969E+01 mv 1 77 59 -4 0 - 4 e 104 391 etot -8.7383E+01 mv 1 77 174 41 0 - 4 e 289 379 etot -8.7389E+01 mv 1 77 183 -146 0 - 4 e 436 365 etot -7.9538E+01 mv 1 77 47 -175 0 - 4 e 133 394 etot -7.2038E+01 mv 1 77 174 170 0 - 4 e 263 384 etot -7.7574E+01 mv 1 77 200 -94 0 - 4 e 90 402 etot -8.5976E+01 mv 0 77 144 0 0 c 144 0.9 0.0 - 4 e 2 408 etot -8.8216E+01 mv 0 77 36 0 0 - 4 e 2 409 etot -8.8115E+01 mv 0 77 1 0 0 - 4 e 50 406 etot -8.4951E+01 mv 0 77 12 0 0 c 12 0.3 0.0 - 4 e 2 411 etot -8.8207E+01 mv 0 77 101 0 0 - 4 e 349 381 etot -8.7591E+01 mv 1 77 200 -148 0 - 4 e 50 407 etot -9.0337E+01 mv 0 77 40 0 0 - 4 e 89 401 etot -8.8415E+01 mv 0 77 100 0 0 c 100 0.4 0.0 - 4 e 2 414 etot -8.8097E+01 mv 0 77 124 0 0 - 4 e 2 416 etot -8.7603E+01 mv 0 77 183 0 0 - 4 e 99 404 etot -8.5756E+01 mv 0 77 184 0 0 - 4 e 2 417 etot -8.7592E+01 mv 0 77 200 0 0 - 4 e 23 413 etot -8.7801E+01 mv 0 77 47 0 0 c 47 0.0 0.0 -## N0 total= 24 close= 11 far= 0 %acc 45.8 -## N1 total= 96 close= 1 far= 0 %acc 1.0 -## N2 total= 100 close= 3 far= 0 %acc 3.0 -## N3 total= 0 close= 0 far= 0 %acc 0.0 -## N4 total= 0 close= 0 far= 0 %acc 0.0 -## N5 total= 0 close= 0 far= 0 %acc 0.0 -## N6 total= 200 close= 6 far= 2 %acc 4.0 -## N7 total= 0 close= 0 far= 0 %acc 0.0 -## N8 total= 0 close= 0 far= 0 %acc 0.0 -## N9 total= 0 close= 0 far= 0 %acc 0.0 -##N10 total= 0 close= 0 far= 0 %acc 0.0 -##N11 total= 0 close= 0 far= 0 %acc 0.0 -##N12 total= 0 close= 0 far= 0 %acc 0.0 -##N13 total= 0 close= 0 far= 0 %acc 0.0 -##N14 total= 0 close= 0 far= 0 %acc 0.0 -##N15 total= 0 close= 0 far= 0 %acc 0.0 -##N16 total= 0 close= 0 far= 0 %acc 0.0 -##N17 total= 0 close= 0 far= 0 %acc 0.0 -##N18 total= 0 close= 0 far= 0 %acc 0.0 - Time for refresh 78 0.52 - make_var : nseed= 20 ntry= 420 - Time for make trial 79 0.07 -Nonsetup time 154.30 sec, Eval/s = 64606.90 -Time for iter 79 2.04 sec, Eval/s = 61421.40 - UPDATING 420 - 4 e 339 392 etot -8.1295E+01 mv 1 77 174 -90 0 - 4 e 247 395 etot -8.7183E+01 mv 1 77 174 -10 0 - 4 e 279 396 etot -8.4612E+01 mv 1 77 41 52 0 - 4 e 2 420 etot -8.7381E+01 mv 0 77 41 0 0 - 4 e 587 376 etot -8.3999E+01 mv 1 77 183 -32 0 - 4 e 175 405 etot -8.5642E+01 mv 0 77 189 0 0 - 4 e 254 399 etot -7.7943E+01 mv 1 77 41 184 0 - 4 e 69 418 etot -8.8104E+01 mv 0 77 122 0 0 - 4 e 602 370 etot -8.8096E+01 mv 1 77 124 -114 0 - 4 e 82 410 etot -8.7971E+01 mv 0 77 59 0 0 - 4 e 398 389 etot -7.9051E+01 mv 1 77 122 -150 0 - 4 e 29 412 etot -8.8871E+01 mv 0 77 196 0 0 c 196 0.1 0.0 - 4 e 372 393 etot -7.7851E+01 mv 1 77 174 8 0 - 4 e 432 382 etot -7.7833E+01 mv 1 77 200 13 0 - 4 e 453 380 etot -7.8635E+01 mv 1 77 183 -71 0 - -1 e 1 7 etot 1.3528E+20 mv 6 78 91 4 0 - 4 e 575 386 etot -8.7957E+01 mv 1 77 122 99 0 - 4 e 134 403 etot -8.4247E+01 mv 0 77 156 0 0 c 156 1.9 0.0 - 4 e 385 390 etot -8.6694E+01 mv 1 77 122 -96 0 - 4 e 591 400 etot -8.3164E+01 mv 1 77 41 -56 0 - 4 e 2 419 etot -8.7384E+01 mv 0 77 174 0 0 - 4 e 424 385 etot -7.5421E+01 mv 1 77 200 -23 0 - 4 e 328 397 etot -8.6686E+01 mv 1 77 41 -81 0 - 4 e 623 362 etot -6.9734E+01 mv 1 77 47 -61 0 - 4 e 499 359 etot -8.3196E+01 mv 1 77 196 -115 0 - 4 e 612 339 etot -7.9375E+01 mv 1 77 36 -28 0 - 4 e 720 383 etot -8.7591E+01 mv 1 77 200 -15 0 - 4 e 526 357 etot -8.2377E+01 mv 1 77 196 -87 0 - 4 e 282 398 etot -7.6857E+01 mv 1 77 41 -67 0 - 4 e 10 415 etot -8.9262E+01 mv 0 77 8 0 0 c 8 0.0 0.0 - 4 e 418 388 etot -8.3431E+01 mv 1 77 122 169 0 - 4 e 599 348 etot -8.7968E+01 mv 1 77 59 -4 0 - -1 e 1 30 etot 1.3528E+20 mv 6 78 152 60 0 - 4 e 12 9 etot -8.4917E+01 mv 6 78 91 115 0 c 115 0.0 0.0 - 4 e 169 4 etot -8.1923E+01 mv 6 78 91 135 0 - 4 e 186 34 etot -7.0687E+01 mv 6 78 163 159 0 - 4 e 224 2 etot -8.4156E+01 mv 6 78 91 54 0 - 4 e 239 15 etot -8.4953E+01 mv 6 78 102 90 0 - 4 e 243 10 etot -8.5477E+01 mv 6 78 91 11 0 c 171 88.8 0.0 - 4 e 235 18 etot -7.7693E+01 mv 6 78 102 52 0 - -1 e 1 38 etot 1.3528E+20 mv 6 78 163 79 0 - 4 e 245 17 etot -8.5239E+01 mv 6 78 102 22 0 c 102 2.5 0.0 - 4 e 270 5 etot -7.3083E+01 mv 6 78 91 132 0 - 4 e 265 21 etot -8.3001E+01 mv 6 78 152 69 0 - 4 e 300 29 etot -8.2250E+01 mv 6 78 152 153 0 - 4 e 295 13 etot -8.5931E+01 mv 6 78 102 12 0 - -1 e 1 46 etot 1.3528E+20 mv 6 78 184 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etot -8.8115E+01 mv 2 78 1 170 0 - 4 e 255 240 etot -7.6587E+01 mv 2 78 100 -83 0 - 4 e 280 252 etot -8.1851E+01 mv 2 78 161 -103 0 - 4 e 288 251 etot -8.9074E+01 mv 2 78 161 84 0 - 4 e 269 260 etot -9.0392E+01 mv 2 78 3 85 0 - 4 e 227 262 etot -8.8207E+01 mv 2 78 101 2 0 - 4 e 433 244 etot -7.6203E+01 mv 2 78 36 38 0 - 4 e 313 257 etot -8.8070E+01 mv 2 78 3 -13 0 - 4 e 207 266 etot -8.7603E+01 mv 2 78 183 179 0 - 4 e 326 258 etot -8.5959E+01 mv 2 78 3 -180 0 - 4 e 511 238 etot -8.8414E+01 mv 2 78 100 -70 0 - 4 e 412 248 etot -8.2263E+01 mv 2 78 1 -92 0 - 4 e 198 268 etot -8.7603E+01 mv 2 78 183 133 0 - 4 e 166 273 etot -8.7592E+01 mv 2 78 200 61 0 - 4 e 259 264 etot -8.5387E+01 mv 2 78 101 34 0 - 4 e 674 231 etot -8.6132E+01 mv 2 78 98 -82 0 - 4 e 422 253 etot -7.6149E+01 mv 2 78 161 -123 0 - 4 e 476 249 etot -7.4793E+01 mv 2 78 1 -100 0 - 4 e 313 255 etot -8.9074E+01 mv 2 78 161 95 0 - 4 e 278 272 etot -7.4518E+01 mv 2 78 200 -69 0 - 4 e 416 263 etot -7.9472E+01 mv 2 78 101 -124 0 - 4 e 245 269 etot -6.6446E+01 mv 2 78 183 -154 0 - 4 e 471 261 etot -8.2780E+01 mv 2 78 101 87 0 - 4 e 321 274 etot -8.7592E+01 mv 2 78 200 74 0 - 4 e 521 256 etot -8.1314E+01 mv 2 78 3 -56 0 - 4 e 239 280 etot -8.8104E+01 mv 2 78 122 -191 0 - 4 e 175 288 etot -8.7381E+01 mv 2 78 41 -164 0 - 4 e 217 276 etot -8.8104E+01 mv 2 78 122 -126 0 - 4 e 261 284 etot -6.8307E+01 mv 2 78 174 -192 0 - 4 e 459 267 etot -8.1459E+01 mv 2 78 183 59 0 - -1 e 1 304 etot 1.3528E+20 mv 1 78 91 -51 0 - 4 e 303 271 etot -8.4660E+01 mv 2 78 200 -43 0 - 4 e 379 275 etot -7.5287E+01 mv 2 78 200 123 0 - 4 e 214 290 etot -8.6975E+01 mv 2 78 41 103 0 - 4 e 252 289 etot -8.6329E+01 mv 2 78 41 167 0 - 4 e 620 232 etot -7.8441E+01 mv 2 78 98 103 0 - 4 e 279 286 etot -7.9964E+01 mv 2 78 41 -142 0 - 4 e 440 259 etot -7.7678E+01 mv 2 78 3 184 0 - 4 e 325 287 etot -8.7380E+01 mv 2 78 41 -88 0 - 4 e 560 242 etot -7.6189E+01 mv 2 78 36 -82 0 - 4 e 424 279 etot -7.9337E+01 mv 2 78 122 95 0 - 4 e 143 296 etot -8.7308E+01 mv 2 78 180 86 0 - 4 e 198 301 etot -8.3251E+01 mv 1 78 91 -20 0 - -1 e 1 317 etot 1.3528E+20 mv 1 78 163 -118 0 - 4 e 406 285 etot -8.2637E+01 mv 2 78 174 104 0 - 4 e 200 300 etot -8.7308E+01 mv 2 78 180 176 0 - 4 e 444 283 etot -8.5634E+01 mv 2 78 174 -198 0 - 4 e 180 303 etot -7.0398E+01 mv 1 78 91 -178 0 - 4 e 216 293 etot -8.6492E+01 mv 2 78 48 -58 0 - 4 e 263 298 etot -7.8538E+01 mv 2 78 180 -18 0 - 4 e 376 291 etot -8.7699E+01 mv 2 78 48 -146 0 - 4 e 468 282 etot -7.5863E+01 mv 2 78 174 -44 0 - 4 e 524 278 etot -8.0695E+01 mv 2 78 122 126 0 - 4 e 492 281 etot -8.5633E+01 mv 2 78 174 199 0 - 4 e 219 305 etot -8.3221E+01 mv 1 78 91 -14 0 - 4 e 576 277 etot -7.9651E+01 mv 2 78 122 28 0 - 4 e 350 295 etot -8.7818E+01 mv 2 78 48 83 0 - 4 e 157 306 etot -8.5239E+01 mv 1 78 102 -98 0 c 102 0.8 0.0 - -1 e 1 331 etot 2.9993E+22 mv 1 78 98 -83 0 - -1 e 1 332 etot 1.3528E+20 mv 1 78 98 71 0 - -1 e 1 333 etot 6.6216E+25 mv 1 78 98 124 0 - 4 e 210 302 etot -6.2442E+01 mv 1 78 91 -53 0 - 4 e 381 297 etot -8.3725E+01 mv 2 78 180 119 0 - 4 e 476 292 etot -8.6477E+01 mv 2 78 48 -1 0 - 4 e 176 312 etot -6.3288E+01 mv 1 78 152 -169 0 - -1 e 1 338 etot 1.3528E+20 mv 1 78 100 -50 0 - 4 e 302 311 etot -8.8828E+01 mv 1 78 152 -133 0 - 4 e 417 299 etot -8.5076E+01 mv 2 78 180 -6 0 - 4 e 513 294 etot -8.6425E+01 mv 2 78 48 -172 0 - 4 e 238 321 etot -7.0977E+01 mv 1 78 184 -127 0 - 4 e 579 270 etot -7.6645E+01 mv 2 78 183 5 0 - 4 e 210 326 etot -8.6236E+01 mv 1 78 189 -69 0 c 189 2.2 0.0 - 4 e 235 325 etot -8.6064E+01 mv 1 78 184 -37 0 - 4 e 401 307 etot -8.3993E+01 mv 1 78 102 -58 0 - 4 e 275 322 etot -5.9484E+01 mv 1 78 184 -137 0 - 4 e 231 328 etot -7.8219E+01 mv 1 78 189 -134 0 - 4 e 293 320 etot -8.3349E+01 mv 1 78 163 -110 0 - 4 e 212 330 etot -8.6236E+01 mv 1 78 189 -52 0 - 4 e 136 341 etot -8.8215E+01 mv 1 78 36 -152 0 - 4 e 290 327 etot -6.7511E+01 mv 1 78 189 -120 0 - 4 e 277 314 etot -7.9615E+01 mv 1 78 152 -10 0 - 4 e 386 319 etot -6.2407E+01 mv 1 78 163 -33 0 - -1 e 1 356 etot 1.3528E+20 mv 1 78 3 -98 0 - 4 e 353 310 etot -8.5239E+01 mv 1 78 102 -126 0 - 4 e 299 335 etot -8.6133E+01 mv 1 78 98 -180 0 - 4 e 530 309 etot -7.4152E+01 mv 1 78 102 -118 0 - 4 e 284 340 etot -8.6986E+01 mv 1 78 100 -160 0 - -1 e 1 361 etot 1.3528E+20 mv 1 78 101 127 0 - 4 e 495 315 etot -8.0186E+01 mv 1 78 152 -153 0 - 4 e 204 347 etot -7.6301E+01 mv 1 78 1 -192 0 - 4 e 229 344 etot -8.8215E+01 mv 1 78 36 176 0 - 4 e 318 323 etot -8.2672E+01 mv 1 78 184 -49 0 - 4 e 359 337 etot -8.1457E+01 mv 1 78 100 -144 0 - 4 e 561 313 etot -8.3793E+01 mv 1 78 152 -192 0 - 4 e 222 350 etot -8.8114E+01 mv 1 78 1 156 0 - 4 e 215 351 etot -8.9075E+01 mv 1 78 161 -62 0 - 4 e 183 345 etot -8.8215E+01 mv 1 78 36 200 0 - 4 e 280 346 etot -7.6199E+01 mv 1 78 1 -23 0 - 4 e 503 324 etot -8.4232E+01 mv 1 78 184 -175 0 - 4 e 598 318 etot -7.8112E+01 mv 1 78 163 -192 0 - 4 e 319 348 etot -8.8114E+01 mv 1 78 1 -160 0 - 4 e 176 359 etot -9.0500E+01 mv 1 78 3 24 0 - 4 e 517 329 etot -8.6554E+01 mv 1 78 189 -82 0 c 189 200.1 0.3 - 4 e 738 308 etot -6.4772E+01 mv 1 78 102 -167 0 - 4 e 185 362 etot -8.6701E+01 mv 1 78 101 -147 0 - 4 e 149 365 etot -7.2533E+01 mv 1 78 101 58 0 - 4 e 444 342 etot -8.3314E+01 mv 1 78 36 14 0 - 4 e 464 316 etot -7.7924E+01 mv 1 78 163 -146 0 - 4 e 237 355 etot -7.2033E+01 mv 1 78 161 -10 0 - 4 e 196 358 etot -9.0745E+01 mv 1 78 3 -164 0 - 4 e 446 343 etot -8.8212E+01 mv 1 78 36 -194 0 - 4 e 257 363 etot -8.8046E+01 mv 1 78 101 145 0 - 4 e 299 360 etot -9.0745E+01 mv 1 78 3 -20 0 - -1 e 1 387 etot 1.3528E+20 mv 1 78 41 30 0 - 4 e 222 368 etot -8.7603E+01 mv 1 78 183 117 0 - 4 e 435 349 etot -8.5950E+01 mv 1 78 1 -57 0 - 4 e 260 367 etot -8.5549E+01 mv 1 78 183 73 0 - 4 e 233 373 etot -8.7592E+01 mv 1 78 200 -197 0 - 4 e 271 372 etot -7.8947E+01 mv 1 78 200 14 0 - 4 e 418 357 etot -9.0744E+01 mv 1 78 3 169 0 - -1 e 1 394 etot 1.3528E+20 mv 1 78 48 145 0 - 4 e 308 370 etot -8.7603E+01 mv 1 78 183 -159 0 - 4 e 499 336 etot -8.8412E+01 mv 1 78 100 177 0 - 4 e 202 381 etot -7.3805E+01 mv 1 78 174 10 0 - 4 e 245 377 etot -8.7565E+01 mv 1 78 122 10 0 - 4 e 337 369 etot -7.2862E+01 mv 1 78 183 -43 0 - 4 e 513 354 etot -8.9070E+01 mv 1 78 161 -59 0 - 4 e 273 375 etot -8.7233E+01 mv 1 78 200 -98 0 - 4 e 265 376 etot -8.8103E+01 mv 1 78 122 -144 0 - 4 e 167 385 etot -8.7383E+01 mv 1 78 174 178 0 - 4 e 566 353 etot -7.6587E+01 mv 1 78 161 27 0 - 4 e 255 371 etot -8.7592E+01 mv 1 78 200 183 0 - 4 e 515 339 etot -8.5706E+01 mv 1 78 100 -150 0 - 4 e 284 379 etot -8.7658E+01 mv 1 78 122 -73 0 - 4 e 330 374 etot -6.3108E+01 mv 1 78 200 -141 0 - 4 e 2 409 etot -8.8216E+01 mv 0 78 36 0 0 - 4 e 2 410 etot -8.8115E+01 mv 0 78 1 0 0 - 4 e 11 411 etot -8.9075E+01 mv 0 78 161 0 0 c 161 0.0 0.0 - 4 e 19 407 etot -8.6134E+01 mv 0 78 98 0 0 c 98 0.0 0.0 - 4 e 2 412 etot -9.0746E+01 mv 0 78 3 0 0 - 4 e 2 413 etot -8.8207E+01 mv 0 78 101 0 0 - 4 e 2 414 etot -8.7603E+01 mv 0 78 183 0 0 - 4 e 200 390 etot -8.4196E+01 mv 1 78 41 -23 0 - 4 e 33 408 etot -8.8415E+01 mv 0 78 100 0 0 c 100 0.0 0.0 - 4 e 2 415 etot -8.7592E+01 mv 0 78 200 0 0 - 4 e 2 417 etot -8.7384E+01 mv 0 78 174 0 0 -## N0 total= 18 close= 6 far= 0 %acc 33.3 -## N1 total= 102 close= 3 far= 0 %acc 2.9 -## N2 total= 100 close= 2 far= 0 %acc 2.0 -## N3 total= 0 close= 0 far= 0 %acc 0.0 -## N4 total= 0 close= 0 far= 0 %acc 0.0 -## N5 total= 0 close= 0 far= 0 %acc 0.0 -## N6 total= 200 close= 12 far= 0 %acc 6.0 -## N7 total= 0 close= 0 far= 0 %acc 0.0 -## N8 total= 0 close= 0 far= 0 %acc 0.0 -## N9 total= 0 close= 0 far= 0 %acc 0.0 -##N10 total= 0 close= 0 far= 0 %acc 0.0 -##N11 total= 0 close= 0 far= 0 %acc 0.0 -##N12 total= 0 close= 0 far= 0 %acc 0.0 -##N13 total= 0 close= 0 far= 0 %acc 0.0 -##N14 total= 0 close= 0 far= 0 %acc 0.0 -##N15 total= 0 close= 0 far= 0 %acc 0.0 -##N16 total= 0 close= 0 far= 0 %acc 0.0 -##N17 total= 0 close= 0 far= 0 %acc 0.0 -##N18 total= 0 close= 0 far= 0 %acc 0.0 - Time for refresh 79 0.27 - make_var : nseed= 20 ntry= 420 - Time for make trial 80 0.04 -Nonsetup time 155.99 sec, Eval/s = 64657.23 -Time for iter 80 1.69 sec, Eval/s = 69259.26 - UPDATING 420 - 4 e 427 388 etot -7.8271E+01 mv 1 78 41 14 0 - 4 e 66 405 etot -8.6064E+01 mv 0 78 184 0 0 - 4 e 320 386 etot -8.3488E+01 mv 1 78 41 177 0 - 4 e 284 396 etot -7.7941E+01 mv 1 78 180 125 0 - 4 e 190 400 etot -8.7308E+01 mv 1 78 180 61 0 - 4 e 2 418 etot -8.7381E+01 mv 0 78 41 0 0 - 4 e 90 403 etot -8.9865E+01 mv 0 78 152 0 0 - 4 e 277 398 etot -8.7308E+01 mv 1 78 180 196 0 - 4 e 11 416 etot -8.8104E+01 mv 0 78 122 0 0 c 122 0.0 0.0 - 4 e 283 389 etot -8.7380E+01 mv 1 78 41 -73 0 - 4 e 650 352 etot -7.7698E+01 mv 1 78 161 -164 0 - 4 e 528 380 etot -8.7932E+01 mv 1 78 122 -171 0 - 4 e 151 395 etot -8.7700E+01 mv 1 78 48 -96 0 - 4 e 132 402 etot -8.5239E+01 mv 0 78 102 0 0 c 102 0.4 0.0 - 4 e 417 378 etot -7.6848E+01 mv 1 78 122 -136 0 - 4 e 249 399 etot -7.5162E+01 mv 1 78 180 -178 0 - 4 e 340 393 etot -8.7699E+01 mv 1 78 48 32 0 - -1 e 1 10 etot 1.3528E+20 mv 6 79 91 30 0 - 4 e 102 401 etot -8.3221E+01 mv 0 78 91 0 0 - 4 e 288 391 etot -8.7699E+01 mv 1 78 48 -120 0 - 4 e 522 364 etot -7.1446E+01 mv 1 78 101 -197 0 - -1 e 1 16 etot 1.3528E+20 mv 6 79 105 149 0 - 4 e 395 392 etot -8.7054E+01 mv 1 78 48 -195 0 - 4 e 10 420 etot -8.7309E+01 mv 0 78 180 0 0 c 180 0.0 0.0 - 4 e 148 404 etot -8.3350E+01 mv 0 78 163 0 0 c 163 2.2 0.0 - 4 e 343 366 etot -7.5975E+01 mv 1 78 183 25 0 - 4 e 445 384 etot -8.6226E+01 mv 1 78 174 -178 0 - 4 e 27 419 etot -8.7700E+01 mv 0 78 48 0 0 c 48 0.0 0.0 - 4 e 259 397 etot -7.4724E+01 mv 1 78 180 -200 0 - 4 e 184 383 etot -8.7383E+01 mv 1 78 174 123 0 - 4 e 519 382 etot -8.5026E+01 mv 1 78 174 -11 0 - 4 e 590 334 etot -8.0686E+01 mv 1 78 98 173 0 - 4 e 132 406 etot -8.6236E+01 mv 0 78 189 0 0 - 4 e 12 24 etot -8.4951E+01 mv 6 79 118 12 0 c 12 0.0 0.0 - 8 e 42 11 etot -6.3987E+01 mv 6 79 105 64 0 - 4 e 128 31 etot -6.4243E+01 mv 6 79 152 16 0 - -1 e 1 36 etot 1.3528E+20 mv 6 79 152 40 0 - -1 e 1 37 etot 1.3528E+20 mv 6 79 152 182 0 - 4 e 146 29 etot -6.6914E+01 mv 6 79 118 127 0 - 4 e 154 9 etot -6.6841E+01 mv 6 79 91 192 0 - -1 e 1 40 etot 1.3528E+20 mv 6 79 152 93 0 - 4 e 202 17 etot -7.7224E+01 mv 6 79 105 58 0 - -1 e 1 42 etot 1.3528E+20 mv 6 79 171 115 0 - 4 e 194 30 etot -8.5299E+01 mv 6 79 118 96 0 - -1 e 1 44 etot 1.3528E+20 mv 6 79 171 16 0 - 4 e 190 21 etot -8.5300E+01 mv 6 79 118 102 0 c 118 1.6 0.0 - 4 e 210 13 etot -7.4480E+01 mv 6 79 105 94 0 - 4 e 231 8 etot -8.0761E+01 mv 6 79 91 101 0 - 4 e 200 15 etot -7.9324E+01 mv 6 79 105 94 0 - 4 e 238 2 etot -8.1878E+01 mv 6 79 91 198 0 - 4 e 246 25 etot -8.5299E+01 mv 6 79 118 84 0 - 4 e 252 19 etot -8.2479E+01 mv 6 79 105 14 0 - 4 e 265 12 etot -8.2911E+01 mv 6 79 105 113 0 - 4 e 306 27 etot -8.5299E+01 mv 6 79 118 97 0 - 4 e 299 26 etot -8.4386E+01 mv 6 79 118 77 0 - 4 e 304 14 etot -7.3724E+01 mv 6 79 105 178 0 - 4 e 277 34 etot -8.6018E+01 mv 6 79 152 29 0 - 4 e 333 28 etot -7.6065E+01 mv 6 79 118 106 0 - 4 e 343 1 etot -8.0502E+01 mv 6 79 91 138 0 - -1 e 1 59 etot 1.3528E+20 mv 6 79 184 177 0 - 4 e 415 6 etot -8.3709E+01 mv 6 79 91 95 0 - 4 e 352 22 etot -8.4356E+01 mv 6 79 118 42 0 - 4 e 431 4 etot -7.3230E+01 mv 6 79 91 128 0 - 4 e 442 5 etot -8.0417E+01 mv 6 79 91 60 0 - 4 e 398 32 etot -8.9993E+01 mv 6 79 152 64 0 - 4 e 253 39 etot -7.7832E+01 mv 6 79 152 142 0 - -1 e 1 66 etot 1.3528E+20 mv 6 79 189 42 0 - 4 e 242 45 etot -8.5477E+01 mv 6 79 171 64 0 c 171 1.6 0.0 - 4 e 466 20 etot -8.2564E+01 mv 6 79 105 172 0 - 4 e 454 33 etot -8.4431E+01 mv 6 79 152 116 0 - 4 e 238 52 etot -8.6063E+01 mv 6 79 184 189 0 - 4 e 602 7 etot -7.0536E+01 mv 6 79 91 88 0 - -1 e 1 72 etot 1.3528E+20 mv 6 79 49 127 0 - 4 e 177 56 etot -6.7950E+01 mv 6 79 184 130 0 - 4 e 326 41 etot -7.0695E+01 mv 6 79 171 186 0 - 4 e 493 18 etot -8.1900E+01 mv 6 79 105 4 0 - 4 e 500 23 etot -8.1962E+01 mv 6 79 118 110 0 - -1 e 1 77 etot 1.3528E+20 mv 6 79 49 118 0 - 4 e 299 46 etot -8.7534E+01 mv 6 79 171 54 0 - 4 e 220 62 etot -6.8716E+01 mv 6 79 189 146 0 - 4 e 523 3 etot -7.5150E+01 mv 6 79 91 95 0 - 4 e 331 47 etot -8.5476E+01 mv 6 79 171 103 0 - 4 e 255 54 etot -7.5109E+01 mv 6 79 184 34 0 - 4 e 311 49 etot -8.5453E+01 mv 6 79 171 124 0 - 4 e 262 55 etot -8.6935E+01 mv 6 79 184 167 0 - 4 e 11 85 etot -8.8104E+01 mv 6 79 24 122 0 - 4 e 331 48 etot -8.1256E+01 mv 6 79 171 150 0 - 4 e 482 38 etot -8.9918E+01 mv 6 79 152 38 0 - 4 e 342 63 etot -8.0016E+01 mv 6 79 189 31 0 - 4 e 265 60 etot -8.0918E+01 mv 6 79 184 135 0 - 4 e 184 73 etot -8.5091E+01 mv 6 79 49 83 0 - 4 e 376 61 etot -8.5754E+01 mv 6 79 189 33 0 - 4 e 385 50 etot -8.0129E+01 mv 6 79 171 94 0 - 4 e 296 58 etot -8.5798E+01 mv 6 79 184 182 0 - 4 e 253 71 etot -8.3770E+01 mv 6 79 49 124 0 - 4 e 391 53 etot -8.6067E+01 mv 6 79 184 73 0 - 4 e 578 43 etot -8.1212E+01 mv 6 79 171 197 0 - 4 e 287 65 etot -6.9526E+01 mv 6 79 189 91 0 - 4 e 203 81 etot -8.7131E+01 mv 6 79 24 128 0 - 4 e 442 51 etot -7.0329E+01 mv 6 79 184 88 0 - 4 e 453 64 etot -8.7303E+01 mv 6 79 189 97 0 - 4 e 195 84 etot -9.0900E+01 mv 6 79 24 84 0 - 4 e 452 57 etot -7.8314E+01 mv 6 79 184 145 0 - -1 e 1 103 etot 1.3528E+20 mv 6 79 1 118 0 - 4 e 337 80 etot -7.2461E+01 mv 6 79 49 123 0 - 4 e 703 35 etot -8.9505E+01 mv 6 79 152 146 0 - 4 e 366 67 etot -7.7885E+01 mv 6 79 189 29 0 - 4 e 459 69 etot -7.9755E+01 mv 6 79 189 89 0 - 4 e 227 91 etot -8.8215E+01 mv 6 79 36 138 0 - 4 e 346 74 etot -7.6459E+01 mv 6 79 49 86 0 - 4 e 288 79 etot -8.7217E+01 mv 6 79 49 38 0 - 4 e 189 95 etot -8.8215E+01 mv 6 79 36 87 0 - -1 e 1 112 etot 1.3528E+20 mv 6 79 3 76 0 - 4 e 265 89 etot -8.9624E+01 mv 6 79 24 56 0 - 4 e 271 83 etot -6.8543E+01 mv 6 79 24 94 0 - 4 e 342 82 etot -8.6226E+01 mv 6 79 24 177 0 - 4 e 225 94 etot -7.0091E+01 mv 6 79 36 96 0 - 4 e 236 99 etot -8.0416E+01 mv 6 79 36 166 0 - 4 e 258 97 etot -8.8172E+01 mv 6 79 36 24 0 - -1 e 1 119 etot 1.3528E+20 mv 6 79 3 174 0 - 4 e 366 92 etot -8.1738E+01 mv 6 79 36 24 0 - 4 e 193 98 etot -7.5140E+01 mv 6 79 36 146 0 - 4 e 281 86 etot -7.6887E+01 mv 6 79 24 140 0 - 4 e 314 96 etot -7.9833E+01 mv 6 79 36 67 0 - 4 e 419 70 etot -8.2710E+01 mv 6 79 189 153 0 - 4 e 445 75 etot -8.1150E+01 mv 6 79 49 59 0 - 4 e 286 101 etot -7.4556E+01 mv 6 79 1 161 0 - -1 e 1 127 etot 1.3528E+20 mv 6 79 161 78 0 - 4 e 390 93 etot -8.4032E+01 mv 6 79 36 130 0 - -1 e 1 129 etot 1.3528E+20 mv 6 79 161 195 0 - 4 e 230 104 etot -8.3770E+01 mv 6 79 1 49 0 - 4 e 94 115 etot -8.5643E+01 mv 6 79 3 42 0 c 42 0.4 0.0 - 4 e 507 76 etot -8.0780E+01 mv 6 79 49 45 0 - 4 e 231 110 etot -8.6114E+01 mv 6 79 1 108 0 - 4 e 563 78 etot -7.5785E+01 mv 6 79 49 7 0 - 4 e 359 100 etot -8.2095E+01 mv 6 79 36 47 0 - 4 e 233 113 etot -8.6118E+01 mv 6 79 3 180 0 - 4 e 71 123 etot -8.3778E+01 mv 6 79 161 69 0 c 69 0.3 0.0 - 4 e 518 68 etot -8.0469E+01 mv 6 79 189 57 0 - 4 e 497 90 etot -8.4486E+01 mv 6 79 24 12 0 - 4 e 320 102 etot -9.1338E+01 mv 6 79 1 117 0 - 4 e 303 111 etot -7.2549E+01 mv 6 79 3 126 0 - 4 e 300 109 etot -7.7397E+01 mv 6 79 1 33 0 - 4 e 490 87 etot -8.6089E+01 mv 6 79 24 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etot -7.1003E+01 mv 1 79 184 -78 0 - 4 e 175 339 etot -6.6657E+01 mv 1 79 49 -123 0 - 4 e 504 311 etot -8.5299E+01 mv 1 79 118 -193 0 - 4 e 430 318 etot -8.9993E+01 mv 1 79 152 -107 0 - 4 e 176 341 etot -9.0761E+01 mv 1 79 24 95 0 - 4 e 436 319 etot -7.8373E+01 mv 1 79 152 -44 0 - 4 e 401 324 etot -7.8661E+01 mv 1 79 171 -175 0 - 4 e 211 340 etot -8.3770E+01 mv 1 79 49 50 0 - 4 e 491 315 etot -7.0738E+01 mv 1 79 118 -184 0 - 4 e 416 325 etot -8.3613E+01 mv 1 79 171 -107 0 - 4 e 384 332 etot -7.7766E+01 mv 1 79 189 -166 0 - 4 e 209 345 etot -9.0761E+01 mv 1 79 24 87 0 - 4 e 382 317 etot -7.2954E+01 mv 1 79 152 -9 0 - 4 e 249 344 etot -9.0761E+01 mv 1 79 24 -162 0 - 4 e 346 337 etot -8.1719E+01 mv 1 79 49 16 0 - 4 e 604 314 etot -6.8815E+01 mv 1 79 118 -154 0 - 4 e 524 303 etot -6.8442E+01 mv 1 79 91 -129 0 - 4 e 605 316 etot -8.4154E+01 mv 1 79 152 -196 0 - 4 e 321 343 etot -8.1987E+01 mv 1 79 24 -47 0 - 4 e 167 355 etot -8.8115E+01 mv 1 79 1 116 0 - 4 e 159 358 etot -9.0745E+01 mv 1 79 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-8.9074E+01 mv 1 79 161 -115 0 - 4 e 593 342 etot -7.6808E+01 mv 1 79 24 -68 0 - 4 e 299 369 etot -8.4803E+01 mv 1 79 153 -106 0 - 4 e 370 361 etot -8.9073E+01 mv 1 79 161 -131 0 - 4 e 196 375 etot -8.7800E+01 mv 1 79 47 -81 0 - 4 e 141 378 etot -8.7603E+01 mv 1 79 183 93 0 - 4 e 165 386 etot -8.7383E+01 mv 1 79 174 -41 0 - 4 e 565 351 etot -8.6664E+01 mv 1 79 1 34 0 - 4 e 254 373 etot -8.6313E+01 mv 1 79 47 -189 0 - 4 e 513 356 etot -7.9417E+01 mv 1 79 3 -172 0 - 4 e 804 335 etot -8.3352E+01 mv 1 79 189 -48 0 - 4 e 585 329 etot -8.3249E+01 mv 1 79 184 -17 0 - 4 e 239 381 etot -8.8104E+01 mv 1 79 122 121 0 - 4 e 361 371 etot -8.7800E+01 mv 1 79 47 120 0 - 4 e 178 382 etot -6.2554E+01 mv 1 79 122 -164 0 - 4 e 227 387 etot -8.6597E+01 mv 1 79 174 146 0 - 4 e 198 390 etot -8.7383E+01 mv 1 79 174 136 0 - 4 e 269 383 etot -8.8104E+01 mv 1 79 122 10 0 - 4 e 2 409 etot -9.0761E+01 mv 0 79 24 0 0 - 4 e 2 410 etot -8.8216E+01 mv 0 79 36 0 0 - 4 e 2 411 etot -8.8115E+01 mv 0 79 1 0 0 - 4 e 2 412 etot -9.0746E+01 mv 0 79 3 0 0 - 4 e 10 413 etot -8.9075E+01 mv 0 79 161 0 0 c 161 0.0 0.0 - 4 e 356 374 etot -8.5622E+01 mv 1 79 47 81 0 - 4 e 10 414 etot -8.8055E+01 mv 0 79 153 0 0 c 153 0.0 0.0 - 4 e 45 408 etot -8.3770E+01 mv 0 79 49 0 0 c 49 0.1 0.0 - 4 e 2 416 etot -8.7603E+01 mv 0 79 183 0 0 - 4 e 99 402 etot -8.6335E+01 mv 0 79 105 0 0 c 105 0.9 0.0 - 4 e 2 418 etot -8.7384E+01 mv 0 79 174 0 0 -## N0 total= 20 close= 9 far= 0 %acc 45.0 -## N1 total= 100 close= 4 far= 0 %acc 4.0 -## N2 total= 100 close= 1 far= 0 %acc 1.0 -## N3 total= 0 close= 0 far= 0 %acc 0.0 -## N4 total= 0 close= 0 far= 0 %acc 0.0 -## N5 total= 0 close= 0 far= 0 %acc 0.0 -## N6 total= 200 close= 6 far= 0 %acc 3.0 -## N7 total= 0 close= 0 far= 0 %acc 0.0 -## N8 total= 0 close= 0 far= 0 %acc 0.0 -## N9 total= 0 close= 0 far= 0 %acc 0.0 -##N10 total= 0 close= 0 far= 0 %acc 0.0 -##N11 total= 0 close= 0 far= 0 %acc 0.0 -##N12 total= 0 close= 0 far= 0 %acc 0.0 -##N13 total= 0 close= 0 far= 0 %acc 0.0 -##N14 total= 0 close= 0 far= 0 %acc 0.0 -##N15 total= 0 close= 0 far= 0 %acc 0.0 -##N16 total= 0 close= 0 far= 0 %acc 0.0 -##N17 total= 0 close= 0 far= 0 %acc 0.0 -##N18 total= 0 close= 0 far= 0 %acc 0.0 - Time for refresh 80 0.27 - make_var : nseed= 20 ntry= 420 - Time for make trial 81 0.08 -Nonsetup time 157.77 sec, Eval/s = 64673.16 -Time for iter 81 1.77 sec, Eval/s = 66074.50 - UPDATING 420 - 4 e 544 365 etot -8.2007E+01 mv 1 79 161 187 0 - 4 e 133 404 etot -8.9995E+01 mv 0 79 152 0 0 c 152 1.0 0.0 - 4 e 652 357 etot -8.4142E+01 mv 1 79 3 -162 0 - 4 e 324 393 etot -8.6643E+01 mv 1 79 48 -27 0 - 4 e 224 400 etot -8.7380E+01 mv 1 79 41 -57 0 - 4 e 232 399 etot -8.6679E+01 mv 1 79 41 81 0 - 4 e 116 407 etot -8.6556E+01 mv 0 79 189 0 0 c 189 1.4 0.0 - 4 e 527 392 etot -8.7317E+01 mv 1 79 48 46 0 - 4 e 289 394 etot -7.0761E+01 mv 1 79 48 13 0 - 4 e 2 420 etot -8.7381E+01 mv 0 79 41 0 0 - 4 e 27 419 etot -8.7700E+01 mv 0 79 48 0 0 - 4 e 230 395 etot -8.7700E+01 mv 1 79 48 -150 0 - 4 e 440 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-8.7150E+01 mv 1 80 180 170 0 - 4 e 198 361 etot -8.7308E+01 mv 1 80 180 30 0 - 4 e 322 357 etot -8.7184E+01 mv 1 80 174 151 0 - 4 e 335 360 etot -8.5227E+01 mv 1 80 174 -149 0 - 4 e 258 369 etot -6.3421E+01 mv 1 80 59 -54 0 - 4 e 524 339 etot -8.4427E+01 mv 1 80 196 -1 0 - 4 e 253 355 etot -8.9074E+01 mv 1 80 161 -134 0 - 4 e 186 378 etot -8.5802E+01 mv 1 80 41 -175 0 - 4 e 290 368 etot -8.7970E+01 mv 1 80 59 -29 0 - 4 e 398 358 etot -8.6839E+01 mv 1 80 174 -52 0 - 4 e 189 382 etot -7.6891E+01 mv 1 80 38 79 0 - 4 e 545 348 etot -7.6664E+01 mv 1 80 183 -44 0 - 4 e 356 366 etot -8.7969E+01 mv 1 80 59 86 0 - 4 e 453 359 etot -8.2188E+01 mv 1 80 174 -91 0 - 4 e 202 383 etot -8.7217E+01 mv 1 80 38 -115 0 - 4 e 495 356 etot -8.7382E+01 mv 1 80 174 123 0 - 4 e 344 370 etot -8.9865E+01 mv 1 80 59 95 0 - 4 e 257 380 etot -8.7380E+01 mv 1 80 41 193 0 - 4 e 2 404 etot -9.0761E+01 mv 0 80 24 0 0 - 4 e 2 405 etot -8.8359E+01 mv 0 80 139 0 0 - 4 e 2 406 etot -8.8216E+01 mv 0 80 36 0 0 - 4 e 2 407 etot -8.8115E+01 mv 0 80 1 0 0 - 4 e 240 385 etot -8.7216E+01 mv 1 80 38 25 0 - 4 e 2 409 etot -8.7592E+01 mv 0 80 200 0 0 - 4 e 35 403 etot -9.2543E+01 mv 0 80 104 0 0 c 104 0.0 0.0 - 4 e 446 384 etot -7.4946E+01 mv 1 80 38 23 0 - 4 e 424 372 etot -8.8096E+01 mv 1 80 124 188 0 - 4 e 2 410 etot -8.7603E+01 mv 0 80 183 0 0 - 4 e 2 411 etot -8.9075E+01 mv 0 80 161 0 0 - 4 e 343 392 etot -7.6642E+01 mv 1 80 97 195 0 - 4 e 163 401 etot -8.7792E+01 mv 0 80 163 0 0 c 163 1.6 0.0 - 4 e 282 389 etot -8.7211E+01 mv 1 80 81 100 0 - 4 e 384 391 etot -8.7092E+01 mv 1 80 97 5 0 - 4 e 339 397 etot -8.7119E+01 mv 1 80 162 -185 0 -## N0 total= 19 close= 9 far= 0 %acc 47.4 -## N1 total= 101 close= 1 far= 0 %acc 1.0 -## N2 total= 100 close= 1 far= 0 %acc 1.0 -## N3 total= 0 close= 0 far= 0 %acc 0.0 -## N4 total= 0 close= 0 far= 0 %acc 0.0 -## N5 total= 0 close= 0 far= 0 %acc 0.0 -## N6 total= 200 close= 5 far= 0 %acc 2.5 -## N7 total= 0 close= 0 far= 0 %acc 0.0 -## N8 total= 0 close= 0 far= 0 %acc 0.0 -## N9 total= 0 close= 0 far= 0 %acc 0.0 -##N10 total= 0 close= 0 far= 0 %acc 0.0 -##N11 total= 0 close= 0 far= 0 %acc 0.0 -##N12 total= 0 close= 0 far= 0 %acc 0.0 -##N13 total= 0 close= 0 far= 0 %acc 0.0 -##N14 total= 0 close= 0 far= 0 %acc 0.0 -##N15 total= 0 close= 0 far= 0 %acc 0.0 -##N16 total= 0 close= 0 far= 0 %acc 0.0 -##N17 total= 0 close= 0 far= 0 %acc 0.0 -##N18 total= 0 close= 0 far= 0 %acc 0.0 - Time for refresh 81 0.29 - make_var : nseed= 20 ntry= 420 - Time for make trial 82 0.08 -Nonsetup time 159.52 sec, Eval/s = 64707.08 -Time for iter 82 1.75 sec, Eval/s = 67765.14 - UPDATING 420 - 4 e 530 400 etot -8.2115E+01 mv 1 80 162 -177 0 - 4 e 2 412 etot -8.7384E+01 mv 0 80 174 0 0 - 4 e 2 413 etot -8.7309E+01 mv 0 80 180 0 0 - 4 e 45 414 etot -8.7971E+01 mv 0 80 59 0 0 c 59 0.1 0.0 - 4 e 464 395 etot -8.2439E+01 mv 1 80 97 83 0 - 4 e 2 415 etot -8.8097E+01 mv 0 80 124 0 0 - 4 e 2 416 etot -8.7381E+01 mv 0 80 41 0 0 - 4 e 2 417 etot -8.7217E+01 mv 0 80 38 0 0 - 4 e 2 418 etot -8.7212E+01 mv 0 80 81 0 0 - 4 e 474 396 etot -7.7481E+01 mv 1 80 162 31 0 - 4 e 12 419 etot -8.7140E+01 mv 0 80 97 0 0 c 97 0.0 0.0 - 4 e 64 420 etot -8.7120E+01 mv 0 80 162 0 0 c 162 0.3 0.0 - 4 e 748 374 etot -8.4665E+01 mv 1 80 124 117 0 - 4 e 371 399 etot -8.5979E+01 mv 1 80 162 -120 0 - 4 e 568 354 etot -7.7374E+01 mv 1 80 161 -126 0 - 4 e 394 371 etot -8.7073E+01 mv 1 80 124 -75 0 - 4 e 536 386 etot -7.9744E+01 mv 1 80 81 -148 0 - 4 e 120 402 etot -8.9446E+01 mv 0 80 168 0 0 c 168 0.8 0.0 - 4 e 10 408 etot -8.8871E+01 mv 0 80 196 0 0 c 196 0.0 0.0 - -1 e 1 13 etot 1.3528E+20 mv 6 81 3 123 0 - 4 e 292 394 etot -6.8578E+01 mv 1 80 97 194 0 - 4 e 226 390 etot -8.7211E+01 mv 1 80 81 -40 0 - -1 e 1 16 etot 1.3528E+20 mv 6 81 3 116 0 - 4 e 431 398 etot -8.6718E+01 mv 1 80 162 -69 0 - 4 e 551 376 etot -8.2840E+01 mv 1 80 41 -110 0 - 4 e 246 393 etot -8.7139E+01 mv 1 80 97 -92 0 - 4 e 476 379 etot -6.8790E+01 mv 1 80 41 -199 0 - 4 e 354 388 etot -8.7210E+01 mv 1 80 81 110 0 - -1 e 1 21 etot 1.3528E+20 mv 6 81 139 27 0 - 4 e 414 367 etot -8.6596E+01 mv 1 80 59 14 0 - 4 e 192 387 etot -8.7212E+01 mv 1 80 81 117 0 - 4 e 399 375 etot -8.8096E+01 mv 1 80 124 158 0 - 4 e 307 373 etot -8.8096E+01 mv 1 80 124 -86 0 - 4 e 329 377 etot -8.5286E+01 mv 1 80 41 -95 0 - 4 e 191 31 etot -8.6689E+01 mv 6 81 36 147 0 - 4 e 182 6 etot -8.5438E+01 mv 6 81 55 4 0 c 55 32.3 0.1 - 4 e 201 34 etot -8.2017E+01 mv 6 81 36 71 0 - 4 e 213 14 etot -9.0745E+01 mv 6 81 3 183 0 - 4 e 226 32 etot -7.9246E+01 mv 6 81 36 151 0 - 4 e 203 15 etot -9.0745E+01 mv 6 81 3 59 0 - 4 e 229 11 etot -8.7566E+01 mv 6 81 3 140 0 - -1 e 1 41 etot 1.3528E+20 mv 6 81 168 118 0 - 4 e 244 25 etot -8.8359E+01 mv 6 81 139 159 0 - 4 e 257 10 etot -8.5343E+01 mv 6 81 55 106 0 - -1 e 1 44 etot 1.3528E+20 mv 6 81 168 197 0 - 4 e 261 17 etot -8.1815E+01 mv 6 81 3 165 0 - 4 e 263 12 etot -7.7317E+01 mv 6 81 3 4 0 - 4 e 278 28 etot -8.1832E+01 mv 6 81 139 56 0 - 4 e 283 5 etot -8.7208E+01 mv 6 81 55 108 0 - 4 e 278 18 etot -7.9082E+01 mv 6 81 3 138 0 - 4 e 268 3 etot -7.2339E+01 mv 6 81 55 127 0 - 4 e 281 2 etot -8.5342E+01 mv 6 81 55 185 0 - 4 e 291 8 etot -8.1981E+01 mv 6 81 55 165 0 - 4 e 299 30 etot -7.4548E+01 mv 6 81 139 171 0 - 4 e 292 19 etot -9.0776E+01 mv 6 81 3 55 0 - 4 e 323 7 etot -8.7209E+01 mv 6 81 55 64 0 c 97 120.8 0.1 - 4 e 309 9 etot -8.3938E+01 mv 6 81 55 194 0 c 9 137.9 0.2 - 4 e 322 27 etot -8.7395E+01 mv 6 81 139 90 0 - -1 e 1 58 etot 1.3528E+20 mv 6 81 8 45 0 - 4 e 356 4 etot -8.3603E+01 mv 6 81 55 177 0 - 4 e 376 22 etot -8.3548E+01 mv 6 81 139 195 0 - 4 e 385 20 etot -8.9698E+01 mv 6 81 3 64 0 - 4 e 377 23 etot -8.3238E+01 mv 6 81 139 182 0 - 4 e 205 37 etot -8.7772E+01 mv 6 81 36 50 0 - 4 e 324 36 etot -8.8215E+01 mv 6 81 36 106 0 - 4 e 211 56 etot -8.9262E+01 mv 6 81 8 73 0 - 4 e 255 40 etot -8.2536E+01 mv 6 81 36 169 0 - 4 e 482 24 etot -7.9274E+01 mv 6 81 139 7 0 - 4 e 468 1 etot -8.3947E+01 mv 6 81 55 1 0 c 60 36.5 0.0 - 4 e 310 49 etot -8.3879E+01 mv 6 81 168 101 0 - 4 e 206 51 etot -8.7603E+01 mv 6 81 8 183 0 - 4 e 199 53 etot -8.9262E+01 mv 6 81 8 113 0 - 4 e 522 33 etot -7.9791E+01 mv 6 81 36 72 0 - 4 e 501 26 etot -8.1367E+01 mv 6 81 139 181 0 - 4 e 288 60 etot -7.0800E+01 mv 6 81 8 126 0 - 4 e 208 52 etot -7.6335E+01 mv 6 81 8 149 0 - -1 e 1 75 etot 1.3528E+20 mv 6 81 1 121 0 - 4 e 517 29 etot -8.1808E+01 mv 6 81 139 124 0 - 4 e 371 38 etot -7.5877E+01 mv 6 81 36 19 0 - 4 e 266 57 etot -8.9262E+01 mv 6 81 8 67 0 - 4 e 263 61 etot -8.4793E+01 mv 6 81 161 149 0 - 4 e 305 48 etot -7.8255E+01 mv 6 81 168 90 0 - -1 e 1 82 etot 1.3528E+20 mv 6 81 124 11 0 - 4 e 406 43 etot -8.7598E+01 mv 6 81 168 189 0 c 189 51.3 1.0 - 4 e 298 54 etot -8.8115E+01 mv 6 81 8 55 0 - 4 e 335 50 etot -8.7790E+01 mv 6 81 168 150 0 - 4 e 263 65 etot -8.9074E+01 mv 6 81 161 29 0 - -1 e 1 87 etot 1.3528E+20 mv 6 81 124 7 0 - 4 e 344 62 etot -7.4253E+01 mv 6 81 161 163 0 - 4 e 355 55 etot -8.1455E+01 mv 6 81 8 68 0 - 4 e 467 47 etot -8.9443E+01 mv 6 81 168 42 0 - 4 e 412 46 etot 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etot -8.5255E+01 mv 6 81 1 121 0 - 4 e 241 91 etot -8.7738E+01 mv 6 81 153 182 0 - 4 e 202 93 etot -8.8055E+01 mv 6 81 153 15 0 - 4 e 433 77 etot -7.3295E+01 mv 6 81 1 10 0 - 4 e 193 99 etot -8.7538E+01 mv 6 81 153 94 0 - 4 e 202 85 etot -8.8207E+01 mv 6 81 124 101 0 - 4 e 634 35 etot -6.7240E+01 mv 6 81 36 169 0 - 4 e 359 73 etot -8.8114E+01 mv 6 81 1 157 0 - 4 e 323 89 etot -8.3394E+01 mv 6 81 124 17 0 - 4 e 148 110 etot -8.5692E+01 mv 6 81 47 45 0 - 4 e 259 98 etot -8.2393E+01 mv 6 81 153 155 0 - 4 e 267 101 etot -8.6617E+01 mv 6 81 47 167 0 - 4 e 597 68 etot -8.1449E+01 mv 6 81 161 109 0 - 4 e 372 74 etot -8.8114E+01 mv 6 81 1 89 0 - 4 e 171 107 etot -7.4341E+01 mv 6 81 47 139 0 - 4 e 450 84 etot -7.7257E+01 mv 6 81 124 85 0 - 4 e 325 96 etot -8.5169E+01 mv 6 81 153 157 0 - 4 e 324 97 etot -8.6904E+01 mv 6 81 153 178 0 - 4 e 328 83 etot -8.7884E+01 mv 6 81 124 34 0 - 4 e 385 92 etot -8.0001E+01 mv 6 81 153 16 0 - -1 e 1 132 etot 1.3528E+20 mv 6 81 100 196 0 - 4 e 251 111 etot 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0 - 4 e 272 133 etot -7.9494E+01 mv 6 81 100 87 0 - 4 e 354 128 etot -7.6985E+01 mv 6 81 183 164 0 - 4 e 267 138 etot -8.8415E+01 mv 6 81 100 49 0 - 4 e 354 130 etot -7.5959E+01 mv 6 81 183 106 0 - 4 e 313 135 etot -8.4520E+01 mv 6 81 100 18 0 - 4 e 320 134 etot -7.9900E+01 mv 6 81 100 184 0 - 4 e 376 129 etot -8.1676E+01 mv 6 81 183 175 0 - 4 e 256 141 etot -7.5657E+01 mv 6 81 200 198 0 - 4 e 252 131 etot -7.1147E+01 mv 6 81 100 79 0 - 4 e 312 120 etot -8.8568E+01 mv 6 81 196 100 0 - 4 e 330 139 etot -8.0255E+01 mv 6 81 100 25 0 - 4 e 277 143 etot -7.4866E+01 mv 6 81 200 24 0 - 4 e 472 125 etot -7.7393E+01 mv 6 81 183 169 0 - -1 e 1 167 etot 3.8222E+27 mv 6 81 174 17 0 - 4 e 199 151 etot -8.9427E+01 mv 6 81 79 168 0 - 4 e 285 144 etot -8.0482E+01 mv 6 81 200 190 0 - -1 e 1 170 etot 1.3528E+20 mv 6 81 174 34 0 - 4 e 248 149 etot -8.6535E+01 mv 6 81 200 188 0 - 4 e 353 127 etot -7.4911E+01 mv 6 81 183 71 0 - 4 e 315 146 etot -7.8242E+01 mv 6 81 200 179 0 - 4 e 414 119 etot -8.8253E+01 mv 6 81 196 104 0 - 4 e 378 142 etot -8.3504E+01 mv 6 81 200 71 0 - 4 e 219 154 etot -8.9605E+01 mv 6 81 79 110 0 - 4 e 478 140 etot -8.2689E+01 mv 6 81 100 197 0 - 4 e 290 152 etot -8.1245E+01 mv 6 81 79 51 0 - 4 e 241 161 etot -7.9150E+01 mv 6 81 174 97 0 - 4 e 434 147 etot -8.3074E+01 mv 6 81 200 125 0 - 4 e 243 153 etot -8.9605E+01 mv 6 81 79 136 0 - 4 e 319 157 etot -8.8229E+01 mv 6 81 79 122 0 - 4 e 336 159 etot -7.6001E+01 mv 6 81 79 184 0 - 4 e 216 163 etot -8.6704E+01 mv 6 81 174 115 0 - 4 e 240 172 etot -8.5988E+01 mv 6 81 180 53 0 - 4 e 497 148 etot -7.8034E+01 mv 6 81 200 157 0 - 4 e 140 179 etot -8.7309E+01 mv 6 81 180 187 0 - 4 e 184 177 etot -7.7320E+01 mv 6 81 180 89 0 - 4 e 369 160 etot -8.7642E+01 mv 6 81 79 137 0 - 4 e 581 145 etot -8.1001E+01 mv 6 81 200 42 0 - -1 e 1 191 etot 1.3528E+20 mv 6 81 51 56 0 - 4 e 468 137 etot -8.2688E+01 mv 6 81 100 199 0 - 4 e 374 162 etot -8.2896E+01 mv 6 81 174 195 0 - -1 e 1 194 etot 1.3528E+20 mv 6 81 51 33 0 - 4 e 327 166 etot 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216 etot 1.2172E+29 mv 2 81 36 12 0 - 4 e 160 203 etot -8.5343E+01 mv 2 81 55 -53 0 - 4 e 186 202 etot -7.1523E+01 mv 2 81 55 89 0 - 4 e 289 187 etot -7.3104E+01 mv 6 81 38 46 0 - 4 e 284 189 etot -8.0815E+01 mv 6 81 38 67 0 - 4 e 181 204 etot -8.5342E+01 mv 2 81 55 17 0 - 4 e 323 186 etot -9.0082E+01 mv 6 81 38 149 0 - 4 e 466 164 etot -7.6030E+01 mv 6 81 174 139 0 - 4 e 484 178 etot -9.0082E+01 mv 6 81 180 122 0 - 4 e 161 210 etot -9.0455E+01 mv 2 81 3 -185 0 - 4 e 293 196 etot -7.9543E+01 mv 6 81 51 9 0 - 4 e 133 213 etot -8.8359E+01 mv 2 81 139 22 0 - 4 e 223 193 etot -8.4441E+01 mv 6 81 51 3 0 - -1 e 1 229 etot 1.3528E+20 mv 2 81 8 -104 0 - 4 e 326 195 etot -8.3191E+01 mv 6 81 51 199 0 - 4 e 331 197 etot -7.5069E+01 mv 6 81 51 114 0 - 4 e 404 184 etot -7.6161E+01 mv 6 81 38 146 0 - 4 e 282 185 etot -8.4106E+01 mv 6 81 38 188 0 - 4 e 312 182 etot -8.3608E+01 mv 6 81 38 190 0 - 4 e 325 199 etot -8.3191E+01 mv 6 81 51 179 0 - 4 e 215 212 etot -8.6677E+01 mv 2 81 139 -141 0 - 4 e 180 219 etot -8.7459E+01 mv 2 81 36 79 0 - 4 e 339 209 etot -7.8431E+01 mv 2 81 3 -13 0 - 4 e 148 228 etot -8.9262E+01 mv 2 81 8 -190 0 - 4 e 510 173 etot -8.2739E+01 mv 6 81 180 118 0 - 4 e 446 198 etot -8.6874E+01 mv 6 81 51 87 0 - 4 e 188 226 etot -6.6207E+01 mv 2 81 8 131 0 - -1 e 1 242 etot 1.3528E+20 mv 2 81 124 91 0 - 4 e 179 227 etot -8.9262E+01 mv 2 81 8 -81 0 - 4 e 172 231 etot -8.9075E+01 mv 2 81 161 89 0 - 4 e 296 218 etot -8.0327E+01 mv 2 81 36 -150 0 - 4 e 312 217 etot -8.0427E+01 mv 2 81 36 59 0 - 4 e 616 188 etot -7.6587E+01 mv 6 81 38 73 0 - 4 e 464 206 etot -8.0635E+01 mv 2 81 3 6 0 - 4 e 286 211 etot -7.4084E+01 mv 2 81 139 -13 0 - 4 e 408 214 etot -7.5335E+01 mv 2 81 139 -133 0 - 4 e 393 215 etot -8.8358E+01 mv 2 81 139 -189 0 - 4 e 303 225 etot -8.8105E+01 mv 2 81 168 -17 0 - 4 e 551 200 etot -7.8722E+01 mv 6 81 51 163 0 - 4 e 312 205 etot -7.7205E+01 mv 2 81 55 -60 0 - -1 e 1 256 etot 1.3528E+20 mv 2 81 196 157 0 - 4 e 373 222 etot -8.9315E+01 mv 2 81 168 162 0 c 96 11.4 0.1 - 4 e 397 221 etot -7.1624E+01 mv 2 81 168 124 0 - 4 e 314 236 etot -8.8115E+01 mv 2 81 1 200 0 - 4 e 390 223 etot -8.8861E+01 mv 2 81 168 67 0 - 4 e 229 243 etot -8.8097E+01 mv 2 81 124 15 0 - -1 e 1 262 etot 1.2940E+22 mv 2 81 183 -153 0 - 4 e 373 233 etot -8.2201E+01 mv 2 81 161 180 0 - 4 e 132 253 etot -8.7800E+01 mv 2 81 47 33 0 - 4 e 323 238 etot -7.4615E+01 mv 2 81 1 -21 0 - 4 e 491 220 etot -8.1140E+01 mv 2 81 36 56 0 - 4 e 307 239 etot -7.6826E+01 mv 2 81 1 155 0 - 4 e 133 258 etot -8.8871E+01 mv 2 81 196 -134 0 - 4 e 216 241 etot -8.8097E+01 mv 2 81 124 119 0 - 4 e 194 250 etot -8.8055E+01 mv 2 81 153 51 0 - 4 e 295 245 etot -7.3249E+01 mv 2 81 124 -106 0 - 4 e 463 208 etot -8.3947E+01 mv 2 81 3 -157 0 - 4 e 309 244 etot -8.8097E+01 mv 2 81 124 49 0 - 4 e 322 230 etot -7.8380E+01 mv 2 81 8 26 0 - 4 e 346 240 etot -8.5454E+01 mv 2 81 1 -110 0 - 4 e 380 224 etot -7.2520E+01 mv 2 81 168 -16 0 - 4 e 196 259 etot -8.8871E+01 mv 2 81 196 24 0 - 4 e 164 257 etot -8.8871E+01 mv 2 81 196 182 0 - 4 e 275 252 etot -7.3952E+01 mv 2 81 47 165 0 - 4 e 378 247 etot -8.9058E+01 mv 2 81 153 -69 0 - 4 e 294 255 etot -8.5622E+01 mv 2 81 47 194 0 - 4 e 177 265 etot -8.7603E+01 mv 2 81 183 31 0 - 4 e 566 232 etot -7.9475E+01 mv 2 81 161 -77 0 - 4 e 256 260 etot -8.5326E+01 mv 2 81 196 48 0 - 4 e 387 249 etot -7.3796E+01 mv 2 81 153 -114 0 - 4 e 424 248 etot -8.6364E+01 mv 2 81 153 30 0 - 4 e 373 254 etot -8.6313E+01 mv 2 81 47 128 0 - 4 e 210 268 etot -8.8415E+01 mv 2 81 100 -166 0 - 4 e 667 237 etot -7.0350E+01 mv 2 81 1 -123 0 - 4 e 223 274 etot -6.5852E+01 mv 2 81 200 -102 0 - 4 e 354 261 etot -7.8213E+01 mv 2 81 183 -55 0 - 4 e 290 267 etot -8.6986E+01 mv 2 81 100 -127 0 - 4 e 311 266 etot -7.7790E+01 mv 2 81 100 59 0 - 4 e 309 251 etot -7.8433E+01 mv 2 81 47 -180 0 - 4 e 284 271 etot -7.9411E+01 mv 2 81 200 18 0 - 4 e 564 246 etot -8.1694E+01 mv 2 81 153 -145 0 - -1 e 1 297 etot 1.3528E+20 mv 2 81 51 16 0 - 4 e 219 278 etot -8.9605E+01 mv 2 81 79 66 0 - 4 e 219 280 etot -7.2695E+01 mv 2 81 79 95 0 - 4 e 207 275 etot -8.7592E+01 mv 2 81 200 89 0 - 4 e 186 283 etot -8.5919E+01 mv 2 81 174 -98 0 - 4 e 377 264 etot -8.7425E+01 mv 2 81 183 145 0 - 4 e 526 235 etot -8.1766E+01 mv 2 81 161 -154 0 - 4 e 246 273 etot -8.6101E+01 mv 2 81 200 -70 0 - 4 e 216 285 etot -8.7383E+01 mv 2 81 174 182 0 - 4 e 265 281 etot -8.6840E+01 mv 2 81 174 -115 0 - 4 e 390 272 etot -8.4241E+01 mv 2 81 200 -155 0 - -1 e 1 308 etot 1.3528E+20 mv 1 81 3 6 0 - 4 e 452 263 etot -8.7602E+01 mv 2 81 183 26 0 - 4 e 235 287 etot -8.5167E+01 mv 2 81 180 -30 0 - 4 e 573 234 etot -6.9679E+01 mv 2 81 161 -172 0 - 4 e 220 288 etot -8.6569E+01 mv 2 81 180 -91 0 - -1 e 1 313 etot 1.3528E+20 mv 1 81 139 135 0 - 4 e 163 293 etot -8.7217E+01 mv 2 81 38 139 0 - 4 e 437 269 etot -8.2142E+01 mv 2 81 100 155 0 - 4 e 437 276 etot -7.9534E+01 mv 2 81 79 6 0 - 4 e 272 289 etot -7.7121E+01 mv 2 81 180 -37 0 - -1 e 1 318 etot 1.3528E+20 mv 1 81 36 148 0 - 4 e 140 295 etot -7.0220E+01 mv 2 81 38 32 0 - -1 e 1 320 etot 1.3528E+20 mv 1 81 36 -90 0 - 4 e 309 286 etot -8.4543E+01 mv 2 81 180 -100 0 - 4 e 252 291 etot -8.7217E+01 mv 2 81 38 -16 0 - 4 e 415 282 etot -7.6846E+01 mv 2 81 174 196 0 - 4 e 291 290 etot -8.7307E+01 mv 2 81 180 -78 0 - 4 e 231 299 etot -7.3824E+01 mv 2 81 51 -128 0 - 4 e 392 270 etot -8.8414E+01 mv 2 81 100 -139 0 - 4 e 162 311 etot -7.6371E+01 mv 1 81 139 11 0 - 4 e 343 292 etot -8.7216E+01 mv 2 81 38 188 0 - 4 e 279 303 etot -8.5343E+01 mv 1 81 55 -11 0 - 4 e 337 296 etot -7.5030E+01 mv 2 81 51 150 0 - 4 e 320 302 etot -7.3298E+01 mv 1 81 55 -155 0 - 4 e 229 315 etot -8.8359E+01 mv 1 81 139 -125 0 - 4 e 301 306 etot -7.9325E+01 mv 1 81 3 -84 0 - 4 e 556 284 etot -8.3576E+01 mv 2 81 174 147 0 - 4 e 365 300 etot -8.2505E+01 mv 2 81 51 100 0 - 4 e 292 310 etot -9.0745E+01 mv 1 81 3 159 0 - 4 e 272 316 etot -7.2708E+01 mv 1 81 36 -182 0 - 4 e 453 294 etot -8.7216E+01 mv 2 81 38 39 0 - 4 e 418 298 etot -7.9108E+01 mv 2 81 51 174 0 - 4 e 185 328 etot -8.9262E+01 mv 1 81 8 94 0 - 4 e 351 314 etot -8.2126E+01 mv 1 81 139 -31 0 - 4 e 189 329 etot -8.9262E+01 mv 1 81 8 -44 0 - 4 e 138 332 etot -8.9075E+01 mv 1 81 161 84 0 - 4 e 323 322 etot -7.2521E+01 mv 1 81 168 195 0 - 4 e 252 326 etot -8.9262E+01 mv 1 81 8 176 0 - 4 e 263 324 etot -8.4039E+01 mv 1 81 168 98 0 - 4 e 226 321 etot -8.9446E+01 mv 1 81 168 94 0 - 4 e 351 317 etot -6.7132E+01 mv 1 81 36 -146 0 - 4 e 427 307 etot -8.9419E+01 mv 1 81 3 -43 0 - 4 e 306 325 etot -8.9341E+01 mv 1 81 168 86 0 - 4 e 445 309 etot -8.1679E+01 mv 1 81 3 137 0 - 4 e 215 331 etot -8.9075E+01 mv 1 81 161 134 0 - 4 e 397 323 etot -8.9444E+01 mv 1 81 168 66 0 - 4 e 346 312 etot -7.8026E+01 mv 1 81 139 -121 0 - 4 e 224 336 etot -8.8114E+01 mv 1 81 1 92 0 - 4 e 305 330 etot -8.9262E+01 mv 1 81 8 -66 0 - 4 e 464 319 etot -7.6672E+01 mv 1 81 36 184 0 - 4 e 119 350 etot -8.8055E+01 mv 1 81 153 50 0 - 4 e 145 346 etot -8.8055E+01 mv 1 81 153 -122 0 - 4 e 397 305 etot -6.4527E+01 mv 1 81 55 -29 0 - 4 e 255 338 etot -8.8114E+01 mv 1 81 1 158 0 - 4 e 152 349 etot -8.8055E+01 mv 1 81 153 -30 0 - 4 e 206 347 etot -8.8055E+01 mv 1 81 153 7 0 - 4 e 323 335 etot -8.9073E+01 mv 1 81 161 -34 0 - 4 e 223 345 etot -8.7561E+01 mv 1 81 124 17 0 - 4 e 312 340 etot -8.8114E+01 mv 1 81 1 105 0 - 4 e 499 301 etot -7.8893E+01 mv 1 81 55 71 0 - 4 e 380 333 etot -8.8886E+01 mv 1 81 161 -190 0 - 4 e 382 334 etot -7.4712E+01 mv 1 81 161 -108 0 - 4 e 126 358 etot -8.8871E+01 mv 1 81 196 -177 0 - 4 e 197 353 etot -7.1401E+01 mv 1 81 47 -133 0 - 4 e 359 339 etot -6.5796E+01 mv 1 81 1 -7 0 - 4 e 226 351 etot -8.7800E+01 mv 1 81 47 -3 0 - 4 e 173 354 etot -7.2851E+01 mv 1 81 47 -76 0 - 4 e 495 304 etot -8.4983E+01 mv 1 81 55 45 0 - 4 e 301 343 etot -8.8097E+01 mv 1 81 124 -190 0 - 4 e 709 279 etot -8.3046E+01 mv 2 81 79 -69 0 f 89 360.3 0.1 - 4 e 356 341 etot -7.7950E+01 mv 1 81 124 173 0 - 4 e 284 352 etot -8.7800E+01 mv 1 81 47 -68 0 - 4 e 336 344 etot -8.7438E+01 mv 1 81 124 -38 0 - 4 e 761 277 etot -8.6868E+01 mv 2 81 79 44 0 - 4 e 399 342 etot -7.3748E+01 mv 1 81 124 -188 0 - 4 e 183 355 etot -7.3632E+01 mv 1 81 47 -108 0 - -1 e 1 384 etot 1.3528E+20 mv 1 81 174 87 0 - -1 e 1 385 etot 1.3528E+20 mv 1 81 174 -130 0 - 4 e 163 375 etot -8.7592E+01 mv 1 81 200 82 0 - 4 e 556 337 etot -7.8933E+01 mv 1 81 1 -182 0 - 4 e 209 369 etot -8.8415E+01 mv 1 81 100 54 0 - 4 e 354 359 etot -7.1267E+01 mv 1 81 196 -103 0 - 4 e 493 327 etot -8.8565E+01 mv 1 81 8 -37 0 - 4 e 252 370 etot -8.8414E+01 mv 1 81 100 -86 0 - 4 e 177 380 etot -8.9605E+01 mv 1 81 79 -30 0 - 4 e 195 379 etot -8.9605E+01 mv 1 81 79 132 0 - 4 e 399 357 etot -8.2966E+01 mv 1 81 196 121 0 - 4 e 311 366 etot -8.5302E+01 mv 1 81 100 -49 0 - 4 e 300 367 etot -8.8415E+01 mv 1 81 100 194 0 - 4 e 365 348 etot -8.3679E+01 mv 1 81 153 -191 0 - 4 e 168 383 etot -8.7326E+01 mv 1 81 174 117 0 - 4 e 371 362 etot -7.9567E+01 mv 1 81 183 -163 0 - 4 e 199 381 etot -8.7383E+01 mv 1 81 174 107 0 - 4 e 381 363 etot -8.7603E+01 mv 1 81 183 -110 0 - 4 e 2 402 etot -9.0746E+01 mv 0 81 3 0 0 - 4 e 268 361 etot -8.7603E+01 mv 1 81 183 199 0 - 4 e 2 403 etot -8.8359E+01 mv 0 81 139 0 0 - 4 e 2 404 etot -8.8216E+01 mv 0 81 36 0 0 - 4 e 124 386 etot -8.7308E+01 mv 1 81 180 93 0 - 4 e 416 360 etot -8.1698E+01 mv 1 81 196 -24 0 - 4 e 2 408 etot -8.8115E+01 mv 0 81 1 0 0 - 4 e 2 407 etot -8.9075E+01 mv 0 81 161 0 0 - 4 e 10 406 etot -8.9262E+01 mv 0 81 8 0 0 c 8 0.0 0.0 - 4 e 2 409 etot -8.8097E+01 mv 0 81 124 0 0 - 4 e 315 374 etot -8.7592E+01 mv 1 81 200 -64 0 - 4 e 2 410 etot -8.8055E+01 mv 0 81 153 0 0 - 4 e 2 413 etot -8.7603E+01 mv 0 81 183 0 0 - 4 e 2 415 etot -8.7592E+01 mv 0 81 200 0 0 - 4 e 10 412 etot -8.8871E+01 mv 0 81 196 0 0 - 4 e 10 411 etot -8.7801E+01 mv 0 81 47 0 0 c 47 0.0 0.0 - 4 e 2 417 etot -8.7384E+01 mv 0 81 174 0 0 - 4 e 2 419 etot -8.7217E+01 mv 0 81 38 0 0 -## N0 total= 25 close= 7 far= 0 %acc 28.0 -## N1 total= 95 close= 0 far= 0 %acc 0.0 -## N2 total= 100 close= 1 far= 1 %acc 2.0 -## N3 total= 0 close= 0 far= 0 %acc 0.0 -## N4 total= 0 close= 0 far= 0 %acc 0.0 -## N5 total= 0 close= 0 far= 0 %acc 0.0 -## N6 total= 200 close= 7 far= 1 %acc 4.0 -## N7 total= 0 close= 0 far= 0 %acc 0.0 -## N8 total= 0 close= 0 far= 0 %acc 0.0 -## N9 total= 0 close= 0 far= 0 %acc 0.0 -##N10 total= 0 close= 0 far= 0 %acc 0.0 -##N11 total= 0 close= 0 far= 0 %acc 0.0 -##N12 total= 0 close= 0 far= 0 %acc 0.0 -##N13 total= 0 close= 0 far= 0 %acc 0.0 -##N14 total= 0 close= 0 far= 0 %acc 0.0 -##N15 total= 0 close= 0 far= 0 %acc 0.0 -##N16 total= 0 close= 0 far= 0 %acc 0.0 -##N17 total= 0 close= 0 far= 0 %acc 0.0 -##N18 total= 0 close= 0 far= 0 %acc 0.0 - Time for refresh 82 0.30 - make_var : nseed= 20 ntry= 420 - Time for make trial 83 0.05 -Nonsetup time 161.26 sec, Eval/s = 64754.77 -Time for iter 83 1.75 sec, Eval/s = 69111.41 - UPDATING 420 - 4 e 552 356 etot -8.3392E+01 mv 1 81 196 115 0 - 4 e 240 387 etot -7.8789E+01 mv 1 81 180 139 0 - 4 e 561 377 etot -7.8519E+01 mv 1 81 79 -155 0 - 4 e 255 389 etot -7.9225E+01 mv 1 81 180 101 0 - 4 e 221 395 etot -8.7217E+01 mv 1 81 38 -153 0 - 4 e 326 397 etot -7.7990E+01 mv 1 81 51 52 0 - 4 e 43 420 etot -8.6876E+01 mv 0 81 51 0 0 c 51 0.1 0.0 - 4 e 241 394 etot -6.9277E+01 mv 1 81 38 -7 0 - 4 e 150 393 etot -8.6810E+01 mv 1 81 38 -63 0 - 4 e 561 373 etot -7.9803E+01 mv 1 81 200 -26 0 - 4 e 527 364 etot -8.6757E+01 mv 1 81 183 -200 0 - 4 e 159 390 etot -8.7308E+01 mv 1 81 180 171 0 - 4 e 250 388 etot -8.7308E+01 mv 1 81 180 -88 0 - 4 e 63 416 etot -8.9606E+01 mv 0 81 79 0 0 c 79 0.5 0.0 - 4 e 267 399 etot -8.6876E+01 mv 1 81 51 11 0 - 4 e 553 372 etot -8.7591E+01 mv 1 81 200 35 0 - -1 e 1 4 etot 1.3528E+20 mv 6 82 12 161 0 - 4 e 619 400 etot -8.6874E+01 mv 1 81 51 23 0 - 4 e 377 392 etot -8.3922E+01 mv 1 81 38 -41 0 - 4 e 439 371 etot -8.7590E+01 mv 1 81 200 -130 0 - 4 e 184 396 etot -8.6876E+01 mv 1 81 51 112 0 - 4 e 460 365 etot -7.9341E+01 mv 1 81 183 42 0 - -1 e 1 12 etot 1.3528E+20 mv 6 82 24 44 0 - 4 e 102 401 etot -8.5343E+01 mv 0 81 55 0 0 - 4 e 78 405 etot -8.9446E+01 mv 0 81 168 0 0 c 168 0.5 0.0 - 4 e 234 378 etot -8.9605E+01 mv 1 81 79 -149 0 - 4 e 281 376 etot -8.8134E+01 mv 1 81 79 128 0 - -1 e 1 20 etot 1.3528E+20 mv 6 82 24 47 0 - 4 e 52 414 etot -8.8415E+01 mv 0 81 100 0 0 c 100 0.1 0.0 - 4 e 410 398 etot -7.2792E+01 mv 1 81 51 -28 0 - 4 e 2 418 etot -8.7309E+01 mv 0 81 180 0 0 - 4 e 295 368 etot -7.5330E+01 mv 1 81 100 -97 0 - 4 e 366 382 etot -6.9044E+01 mv 1 81 174 54 0 - 4 e 154 391 etot -8.7217E+01 mv 1 81 38 -105 0 - -1 e 1 31 etot 1.3528E+20 mv 6 82 88 168 0 - -1 e 1 32 etot 1.3528E+20 mv 6 82 88 101 0 - -1 e 1 10 etot 1.3528E+20 mv 6 82 12 147 0 - 4 e 143 1 etot -6.2285E+01 mv 6 82 12 155 0 - 4 e 164 2 etot -7.0610E+01 mv 6 82 12 123 0 - 4 e 161 3 etot -8.3515E+01 mv 6 82 12 48 0 - 4 e 199 7 etot -7.8339E+01 mv 6 82 12 144 0 - 4 e 191 23 etot -9.0337E+01 mv 6 82 40 37 0 - 4 e 198 25 etot -8.9547E+01 mv 6 82 40 25 0 - 4 e 226 5 etot -8.4950E+01 mv 6 82 12 153 0 - 4 e 243 17 etot -8.0949E+01 mv 6 82 24 17 0 - 4 e 220 22 etot -9.0337E+01 mv 6 82 40 92 0 - 4 e 228 15 etot -8.4738E+01 mv 6 82 24 30 0 - 4 e 254 9 etot -7.4618E+01 mv 6 82 12 37 0 - 4 e 274 11 etot -8.5796E+01 mv 6 82 24 186 0 - 4 e 279 18 etot -8.0336E+01 mv 6 82 24 15 0 - 4 e 300 28 etot -7.8607E+01 mv 6 82 40 105 0 - 4 e 304 26 etot -8.3251E+01 mv 6 82 40 175 0 - 4 e 284 24 etot -8.6463E+01 mv 6 82 40 177 0 - 4 e 394 6 etot -8.4746E+01 mv 6 82 12 115 0 - 4 e 320 29 etot -8.4079E+01 mv 6 82 40 127 0 - 4 e 314 37 etot -8.3396E+01 mv 6 82 88 177 0 - 4 e 350 27 etot -7.8408E+01 mv 6 82 40 142 0 - 4 e 86 48 etot -8.3710E+01 mv 6 82 163 91 0 - 4 e 179 40 etot -9.2490E+01 mv 6 82 88 40 0 - 4 e 352 14 etot -8.0680E+01 mv 6 82 24 101 0 - 4 e 375 33 etot -7.9028E+01 mv 6 82 88 169 0 - 4 e 263 45 etot -8.7792E+01 mv 6 82 163 77 0 - 4 e 415 13 etot -7.3390E+01 mv 6 82 24 179 0 - 4 e 483 16 etot -8.6568E+01 mv 6 82 24 75 0 - 4 e 227 47 etot -8.3479E+01 mv 6 82 163 87 0 - 4 e 523 19 etot -8.4400E+01 mv 6 82 24 78 0 - 4 e 393 44 etot -8.1374E+01 mv 6 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4 e 368 348 etot -7.6767E+01 mv 1 82 147 181 0 - 4 e 392 345 etot -8.6796E+01 mv 1 82 157 -71 0 - 4 e 358 349 etot -8.6713E+01 mv 1 82 147 123 0 - 4 e 250 356 etot -8.4562E+01 mv 1 82 184 -126 0 - 4 e 282 347 etot -8.6709E+01 mv 1 82 147 91 0 - 4 e 163 368 etot -8.6689E+01 mv 1 82 46 -144 0 - 4 e 226 363 etot -8.7699E+01 mv 1 82 48 132 0 - -1 e 1 385 etot 1.3528E+20 mv 1 82 75 117 0 - 4 e 188 367 etot -8.6443E+01 mv 1 82 46 138 0 - 4 e 161 365 etot -8.7700E+01 mv 1 82 48 -32 0 - 4 e 332 355 etot -8.6697E+01 mv 1 82 37 -79 0 - 4 e 295 361 etot -8.7699E+01 mv 1 82 48 23 0 - 4 e 225 369 etot -7.6490E+01 mv 1 82 46 163 0 - 4 e 332 358 etot -8.6443E+01 mv 1 82 184 -78 0 - 4 e 556 341 etot -8.6795E+01 mv 1 82 157 -15 0 - 4 e 571 342 etot -7.4225E+01 mv 1 82 157 -177 0 - 4 e 202 374 etot -8.6660E+01 mv 1 82 23 189 0 - 4 e 178 370 etot -8.6387E+01 mv 1 82 46 17 0 - 4 e 261 372 etot -8.5186E+01 mv 1 82 23 113 0 - 4 e 381 360 etot -8.6823E+01 mv 1 82 184 156 0 - 4 e 266 364 etot -6.3299E+01 mv 1 82 48 -40 0 - 4 e 215 381 etot -8.6623E+01 mv 1 82 75 -111 0 - 4 e 239 380 etot -8.7120E+01 mv 1 82 162 44 0 - 4 e 399 351 etot -8.6697E+01 mv 1 82 37 -95 0 - 4 e 10 401 etot -8.4951E+01 mv 0 82 12 0 0 c 12 0.0 0.0 - 4 e 2 402 etot -9.0761E+01 mv 0 82 24 0 0 - 4 e 15 403 etot -9.0337E+01 mv 0 82 40 0 0 c 40 0.0 0.0 - 4 e 11 404 etot -8.8050E+01 mv 0 82 88 0 0 c 88 0.0 0.0 - 4 e 307 362 etot -7.0771E+01 mv 1 82 48 -114 0 - 4 e 256 382 etot -8.5741E+01 mv 1 82 75 20 0 - 4 e 219 386 etot -8.6412E+01 mv 1 82 134 -117 0 - 4 e 2 407 etot -8.7212E+01 mv 0 82 81 0 0 - 4 e 364 371 etot -8.3846E+01 mv 1 82 23 -151 0 - 4 e 173 390 etot -8.6412E+01 mv 1 82 134 141 0 - 4 e 9 408 etot -8.7065E+01 mv 0 82 192 0 0 c 192 0.0 0.0 - 4 e 11 409 etot -8.6798E+01 mv 0 82 157 0 0 c 157 0.0 0.0 - 4 e 183 391 etot -8.6378E+01 mv 1 82 82 -98 0 - 4 e 25 413 etot -8.7700E+01 mv 0 82 48 0 0 c 48 0.0 0.0 - 4 e 187 392 etot -8.6378E+01 mv 1 82 82 64 0 - 4 e 527 359 etot -8.3734E+01 mv 1 82 184 -103 0 - 4 e 12 415 etot -8.6660E+01 mv 0 82 23 0 0 c 23 0.0 0.0 - 4 e 170 395 etot -8.6378E+01 mv 1 82 82 -61 0 -## N0 total= 15 close= 11 far= 0 %acc 73.3 -## N1 total= 105 close= 0 far= 0 %acc 0.0 -## N2 total= 100 close= 3 far= 0 %acc 3.0 -## N3 total= 0 close= 0 far= 0 %acc 0.0 -## N4 total= 0 close= 0 far= 0 %acc 0.0 -## N5 total= 0 close= 0 far= 0 %acc 0.0 -## N6 total= 200 close= 5 far= 1 %acc 3.0 -## N7 total= 0 close= 0 far= 0 %acc 0.0 -## N8 total= 0 close= 0 far= 0 %acc 0.0 -## N9 total= 0 close= 0 far= 0 %acc 0.0 -##N10 total= 0 close= 0 far= 0 %acc 0.0 -##N11 total= 0 close= 0 far= 0 %acc 0.0 -##N12 total= 0 close= 0 far= 0 %acc 0.0 -##N13 total= 0 close= 0 far= 0 %acc 0.0 -##N14 total= 0 close= 0 far= 0 %acc 0.0 -##N15 total= 0 close= 0 far= 0 %acc 0.0 -##N16 total= 0 close= 0 far= 0 %acc 0.0 -##N17 total= 0 close= 0 far= 0 %acc 0.0 -##N18 total= 0 close= 0 far= 0 %acc 0.0 - Time for refresh 83 0.26 - make_var : nseed= 20 ntry= 420 - Time for make trial 84 0.06 -Nonsetup time 162.96 sec, Eval/s = 64802.32 -Time for iter 84 1.70 sec, Eval/s = 69304.37 - UPDATING 420 - 4 e 89 420 etot -8.8147E+01 mv 0 82 167 0 0 c 167 0.4 0.0 - 4 e 82 411 etot -8.6698E+01 mv 0 82 37 0 0 c 37 0.2 0.0 - 4 e 76 418 etot -8.6412E+01 mv 0 82 134 0 0 c 134 0.5 0.0 - 4 e 460 376 etot -8.7119E+01 mv 1 82 162 119 0 - 4 e 586 357 etot -8.2961E+01 mv 1 82 184 -41 0 - 4 e 262 389 etot -8.2273E+01 mv 1 82 134 -197 0 - 4 e 377 378 etot -8.2116E+01 mv 1 82 162 185 0 - 4 e 312 398 etot -8.8147E+01 mv 1 82 167 123 0 - 4 e 48 414 etot -8.6689E+01 mv 0 82 46 0 0 c 46 0.1 0.0 - 4 e 386 394 etot -8.3846E+01 mv 1 82 82 -17 0 - 4 e 486 400 etot -8.4827E+01 mv 1 82 167 85 0 - 4 e 497 387 etot -7.2577E+01 mv 1 82 134 -50 0 - 4 e 37 419 etot -8.6378E+01 mv 0 82 82 0 0 c 82 0.6 0.0 - 4 e 74 405 etot -8.7793E+01 mv 0 82 163 0 0 c 163 0.3 0.0 - 4 e 416 375 etot -8.5268E+01 mv 1 82 23 115 0 - -1 e 1 7 etot 1.3528E+20 mv 6 83 152 196 0 - 4 e 408 384 etot -8.4332E+01 mv 1 82 75 11 0 - 4 e 68 416 etot -8.7120E+01 mv 0 82 162 0 0 c 162 0.3 0.0 - 4 e 413 373 etot -8.4968E+01 mv 1 82 23 -195 0 - 4 e 52 417 etot -8.6624E+01 mv 0 82 75 0 0 c 75 0.2 0.0 - 4 e 171 412 etot -8.6826E+01 mv 0 82 184 0 0 c 22 2.5 0.0 - 4 e 374 379 etot -8.6585E+01 mv 1 82 162 149 0 - 4 e 538 397 etot -8.8102E+01 mv 1 82 167 -119 0 - 4 e 279 393 etot -7.5445E+01 mv 1 82 82 -28 0 - 4 e 81 410 etot -8.6714E+01 mv 0 82 147 0 0 c 147 0.2 0.0 - 4 e 424 354 etot -8.6696E+01 mv 1 82 37 167 0 - 4 e 438 377 etot -7.5959E+01 mv 1 82 162 -1 0 - 4 e 291 399 etot -8.5768E+01 mv 1 82 167 26 0 - 4 e 238 396 etot -8.8147E+01 mv 1 82 167 86 0 - 4 e 91 406 etot -8.7444E+01 mv 0 82 92 0 0 c 92 0.3 0.0 - 4 e 339 383 etot -7.7324E+01 mv 1 82 75 6 0 - 4 e 256 388 etot -8.5796E+01 mv 1 82 134 183 0 - 8 e 23 23 etot -6.3988E+01 mv 6 83 103 117 0 - 4 e 182 10 etot -6.9294E+01 mv 6 83 152 138 0 - 4 e 179 11 etot -8.6163E+01 mv 6 83 184 119 0 - -1 e 1 35 etot 1.3528E+20 mv 6 83 185 186 0 - -1 e 1 36 etot 1.3528E+20 mv 6 83 185 113 0 - 4 e 200 9 etot -8.9865E+01 mv 6 83 152 84 0 - 4 e 215 26 etot -8.8010E+01 mv 6 83 103 32 0 - 4 e 240 21 etot -8.6546E+01 mv 6 83 103 132 0 - 4 e 254 29 etot -8.3965E+01 mv 6 83 103 133 0 - 4 e 255 17 etot -7.5882E+01 mv 6 83 184 104 0 - 4 e 237 3 etot -8.8178E+01 mv 6 83 152 117 0 - 4 e 271 24 etot -7.3261E+01 mv 6 83 103 148 0 - 4 e 287 6 etot -8.9287E+01 mv 6 83 152 40 0 - 4 e 267 1 etot -8.9864E+01 mv 6 83 152 113 0 - 4 e 318 5 etot -8.4936E+01 mv 6 83 152 50 0 - -1 e 1 47 etot 3.5463E+22 mv 6 83 135 167 0 - 4 e 295 31 etot -8.4325E+01 mv 6 83 185 42 0 - 4 e 340 16 etot -8.7007E+01 mv 6 83 184 90 0 - 4 e 314 25 etot -8.3723E+01 mv 6 83 103 74 0 - 4 e 334 30 etot -7.7723E+01 mv 6 83 103 83 0 - 4 e 326 12 etot -7.8374E+01 mv 6 83 184 108 0 - 4 e 332 14 etot -9.0193E+01 mv 6 83 184 38 0 c 184 3.2 0.0 - 4 e 347 28 etot -8.3028E+01 mv 6 83 103 170 0 - 4 e 350 32 etot -8.7058E+01 mv 6 83 185 162 0 - 4 e 85 43 etot -8.6232E+01 mv 6 83 135 30 0 c 30 0.4 0.0 - 4 e 361 27 etot -7.5708E+01 mv 6 83 103 10 0 - 4 e 328 15 etot -9.0008E+01 mv 6 83 184 13 0 - 4 e 224 45 etot -8.6738E+01 mv 6 83 135 34 0 - 4 e 431 20 etot -7.5151E+01 mv 6 83 184 74 0 - 4 e 202 48 etot -8.6714E+01 mv 6 83 135 180 0 - 4 e 264 40 etot -7.7047E+01 mv 6 83 185 29 0 - 4 e 489 8 etot -8.9993E+01 mv 6 83 152 42 0 - 4 e 319 34 etot -8.7059E+01 mv 6 83 185 200 0 - 4 e 226 50 etot -8.7039E+01 mv 6 83 135 3 0 - 4 e 452 19 etot -8.7024E+01 mv 6 83 184 116 0 - 4 e 593 4 etot -8.2771E+01 mv 6 83 152 110 0 - -1 e 1 68 etot 3.4085E+22 mv 6 83 2 149 0 - 4 e 348 37 etot -8.7059E+01 mv 6 83 185 106 0 - 4 e 536 33 etot -8.5756E+01 mv 6 83 185 32 0 - 4 e 178 53 etot -8.7007E+01 mv 6 83 90 85 0 - 4 e 537 18 etot -7.9636E+01 mv 6 83 184 125 0 - 4 e 532 13 etot -9.0191E+01 mv 6 83 184 56 0 - 4 e 227 54 etot -8.4232E+01 mv 6 83 90 190 0 - 4 e 411 44 etot -8.7039E+01 mv 6 83 135 140 0 - 4 e 282 49 etot -8.3388E+01 mv 6 83 135 196 0 - 4 e 694 22 etot -8.9283E+01 mv 6 83 103 56 0 c 107 145.2 3.0 - 4 e 230 60 etot -8.3346E+01 mv 6 83 90 199 0 - 4 e 588 2 etot -8.5991E+01 mv 6 83 152 76 0 - 4 e 297 51 etot -8.7007E+01 mv 6 83 90 64 0 - 4 e 342 46 etot -8.2023E+01 mv 6 83 135 132 0 - -1 e 1 81 etot 1.3528E+20 mv 6 83 189 98 0 - 4 e 291 62 etot -7.1451E+01 mv 6 83 2 46 0 - 4 e 218 67 etot -6.7305E+01 mv 6 83 2 129 0 - -1 e 1 83 etot 1.3528E+20 mv 6 83 189 143 0 - 4 e 265 61 etot -6.5593E+01 mv 6 83 2 88 0 - 4 e 279 58 etot -7.2349E+01 mv 6 83 90 164 0 - 4 e 550 38 etot -8.1345E+01 mv 6 83 185 149 0 - 4 e 264 59 etot -8.7007E+01 mv 6 83 90 176 0 - 4 e 77 77 etot -8.4101E+01 mv 6 83 140 121 0 c 121 0.5 0.0 - 4 e 237 69 etot -8.6726E+01 mv 6 83 2 148 0 - 4 e 399 41 etot -8.2392E+01 mv 6 83 135 115 0 - 4 e 2 92 etot -8.7603E+01 mv 6 83 195 183 0 - 4 e 301 57 etot -8.5649E+01 mv 6 83 90 47 0 - 4 e 320 56 etot -8.2767E+01 mv 6 83 90 117 0 - 4 e 508 42 etot -7.9975E+01 mv 6 83 135 167 0 - -1 e 1 97 etot 1.3528E+20 mv 6 83 195 111 0 - 4 e 477 39 etot -7.9607E+01 mv 6 83 185 24 0 - 4 e 193 79 etot -8.4675E+01 mv 6 83 140 194 0 c 169 60.8 0.5 - 4 e 231 78 etot -8.6692E+01 mv 6 83 140 37 0 - 4 e 396 64 etot -8.4281E+01 mv 6 83 2 9 0 - 4 e 401 66 etot -7.1770E+01 mv 6 83 2 178 0 - 4 e 373 71 etot -7.4869E+01 mv 6 83 140 168 0 - 4 e 198 87 etot -8.7601E+01 mv 6 83 189 23 0 c 189 3.6 0.0 - 4 e 435 63 etot -8.5858E+01 mv 6 83 2 105 0 - 4 e 298 76 etot -7.8429E+01 mv 6 83 140 51 0 - 4 e 224 84 etot -8.3422E+01 mv 6 83 189 113 0 - 4 e 464 65 etot -8.0841E+01 mv 6 83 2 110 0 - 4 e 250 75 etot -8.6340E+01 mv 6 83 140 95 0 - 4 e 233 85 etot -7.6867E+01 mv 6 83 189 129 0 - 4 e 438 73 etot -7.9905E+01 mv 6 83 140 149 0 - 4 e 223 90 etot -8.3953E+01 mv 6 83 189 90 0 - 4 e 314 80 etot -8.1273E+01 mv 6 83 140 96 0 - 4 e 479 55 etot -8.7146E+01 mv 6 83 90 99 0 - 4 e 544 70 etot -7.8391E+01 mv 6 83 2 123 0 - 4 e 305 94 etot -7.3975E+01 mv 6 83 195 13 0 - 4 e 231 91 etot -7.0481E+01 mv 6 83 195 188 0 - 4 e 148 109 etot -7.2980E+01 mv 6 83 105 52 0 - 4 e 286 98 etot -6.8721E+01 mv 6 83 195 115 0 - 4 e 432 74 etot -7.8148E+01 mv 6 83 140 116 0 - 4 e 253 102 etot -8.6335E+01 mv 6 83 105 159 0 - 4 e 255 101 etot -7.1908E+01 mv 6 83 105 186 0 - 4 e 151 113 etot -6.6860E+01 mv 6 83 20 138 0 - 4 e 291 93 etot -8.6268E+01 mv 6 83 195 141 0 - 4 e 262 104 etot -7.5100E+01 mv 6 83 105 28 0 - 4 e 285 86 etot -8.7601E+01 mv 6 83 189 3 0 - 4 e 274 96 etot -8.6357E+01 mv 6 83 195 80 0 - 4 e 635 52 etot -8.4803E+01 mv 6 83 90 165 0 - 4 e 433 95 etot -8.4695E+01 mv 6 83 195 184 0 - 4 e 326 103 etot -8.4097E+01 mv 6 83 105 168 0 - 4 e 294 106 etot -7.7988E+01 mv 6 83 105 93 0 - 4 e 173 117 etot -8.4082E+01 mv 6 83 20 91 0 - -1 e 1 133 etot 1.3528E+20 mv 6 83 107 158 0 - 4 e 228 114 etot -8.6354E+01 mv 6 83 20 50 0 - 4 e 309 108 etot -7.9912E+01 mv 6 83 105 94 0 - 4 e 278 99 etot -7.3181E+01 mv 6 83 195 33 0 - -1 e 1 137 etot 1.3528E+20 mv 6 83 107 39 0 - 4 e 447 100 etot -8.7938E+01 mv 6 83 195 75 0 - 4 e 290 112 etot -8.3132E+01 mv 6 83 20 155 0 - 4 e 158 118 etot -8.0585E+01 mv 6 83 20 193 0 - 4 e 593 82 etot -7.8547E+01 mv 6 83 189 140 0 - 4 e 581 89 etot -8.5183E+01 mv 6 83 189 135 0 - 4 e 367 111 etot -8.5476E+01 mv 6 83 20 91 0 - 4 e 95 127 etot -8.3974E+01 mv 6 83 197 77 0 c 77 0.2 0.0 - 4 e 712 72 etot -8.2919E+01 mv 6 83 140 170 0 - -1 e 1 146 etot 1.3528E+20 mv 6 83 35 129 0 - 4 e 132 129 etot -6.7547E+01 mv 6 83 197 70 0 - 4 e 324 116 etot -8.5319E+01 mv 6 83 20 118 0 c 118 65.7 0.0 - 4 e 433 110 etot -7.9408E+01 mv 6 83 105 79 0 - 4 e 298 119 etot -8.2325E+01 mv 6 83 20 95 0 - 4 e 138 140 etot -7.8264E+01 mv 6 83 107 150 0 - 4 e 46 148 etot -8.4298E+01 mv 6 83 35 126 0 c 126 0.1 0.0 - -1 e 1 152 etot 1.3528E+20 mv 6 83 13 133 0 - 4 e 223 131 etot -8.6292E+01 mv 6 83 107 188 0 - 4 e 351 121 etot -7.9837E+01 mv 6 83 197 186 0 - 4 e 282 130 etot -8.3100E+01 mv 6 83 197 183 0 - 4 e 388 120 etot -7.5994E+01 mv 6 83 20 152 0 - 4 e 602 105 etot -8.8057E+01 mv 6 83 105 170 0 c 200 10.1 0.5 - 4 e 219 128 etot -8.6326E+01 mv 6 83 197 73 0 - -1 e 1 160 etot 1.3528E+20 mv 6 83 13 186 0 - 4 e 383 122 etot -7.8668E+01 mv 6 83 197 72 0 - 4 e 579 107 etot -8.1064E+01 mv 6 83 105 162 0 - 4 e 291 135 etot -7.8179E+01 mv 6 83 107 163 0 - 4 e 322 134 etot -8.7819E+01 mv 6 83 107 88 0 c 189 28.1 0.2 - 4 e 383 126 etot -8.7522E+01 mv 6 83 197 167 0 c 197 127.4 1.2 - 4 e 271 125 etot -8.6327E+01 mv 6 83 197 87 0 - 4 e 343 115 etot -8.4357E+01 mv 6 83 20 138 0 - -1 e 1 168 etot 1.3528E+20 mv 6 83 108 22 0 - 4 e 128 158 etot -7.1907E+01 mv 6 83 13 82 0 - 4 e 478 123 etot -7.8880E+01 mv 6 83 197 118 0 - 4 e 559 88 etot -8.7937E+01 mv 6 83 189 92 0 - 4 e 311 143 etot -7.7236E+01 mv 6 83 35 78 0 - 4 e 260 150 etot -8.7276E+01 mv 6 83 35 139 0 - 4 e 315 144 etot -8.2372E+01 mv 6 83 35 44 0 - -1 e 1 175 etot 1.3528E+20 mv 6 83 99 138 0 - 4 e 395 136 etot -8.6292E+01 mv 6 83 107 15 0 - 4 e 166 159 etot -6.8945E+01 mv 6 83 13 76 0 - 4 e 259 141 etot -8.6155E+01 mv 6 83 35 135 0 - 4 e 218 145 etot -7.4659E+01 mv 6 83 35 1 0 - 4 e 403 139 etot -8.6292E+01 mv 6 83 107 62 0 - 4 e 285 155 etot -8.2555E+01 mv 6 83 13 63 0 - 4 e 577 124 etot -8.0585E+01 mv 6 83 197 28 0 - 4 e 277 138 etot -8.3196E+01 mv 6 83 107 187 0 - 4 e 189 164 etot -8.5822E+01 mv 6 83 108 180 0 - 4 e 268 157 etot -7.8900E+01 mv 6 83 13 195 0 - 4 e 221 162 etot -8.1708E+01 mv 6 83 108 34 0 - -1 e 1 187 etot 1.3528E+20 mv 6 83 176 15 0 - 4 e 216 165 etot -7.6474E+01 mv 6 83 108 30 0 - 4 e 380 151 etot -7.3442E+01 mv 6 83 13 70 0 - 4 e 439 147 etot -8.0271E+01 mv 6 83 35 110 0 - 4 e 124 178 etot -8.6119E+01 mv 6 83 99 128 0 - 4 e 595 132 etot -8.7160E+01 mv 6 83 107 172 0 - 4 e 496 142 etot -8.0138E+01 mv 6 83 35 123 0 - 4 e 368 156 etot -8.6195E+01 mv 6 83 13 185 0 - 4 e 216 170 etot -6.9354E+01 mv 6 83 108 131 0 - 4 e 305 163 etot -8.3299E+01 mv 6 83 108 82 0 - 4 e 209 173 etot -8.6080E+01 mv 6 83 99 41 0 - 4 e 254 171 etot -8.6155E+01 mv 6 83 99 194 0 - 4 e 234 174 etot -7.2753E+01 mv 6 83 99 10 0 - 4 e 300 153 etot -8.6195E+01 mv 6 83 13 143 0 - 4 e 211 167 etot -8.1667E+01 mv 6 83 108 134 0 - 4 e 507 149 etot -8.1424E+01 mv 6 83 35 19 0 - 4 e 256 176 etot -8.6080E+01 mv 6 83 99 82 0 - 4 e 222 181 etot -8.3120E+01 mv 6 83 176 44 0 - 4 e 178 185 etot -7.6791E+01 mv 6 83 176 191 0 - 4 e 68 200 etot -8.7120E+01 mv 6 83 150 162 0 - 4 e 215 183 etot -7.3316E+01 mv 6 83 176 195 0 - -1 e 1 208 etot 1.3528E+20 mv 2 83 184 -153 0 - 4 e 198 191 etot -6.9773E+01 mv 6 83 150 16 0 - 4 e 287 182 etot -7.4712E+01 mv 6 83 176 162 0 - 4 e 295 188 etot -7.2514E+01 mv 6 83 176 126 0 - 4 e 257 172 etot -7.5319E+01 mv 6 83 99 147 0 - 4 e 387 177 etot -8.1084E+01 mv 6 83 99 29 0 - 4 e 232 197 etot -8.5731E+01 mv 6 83 150 66 0 - 4 e 380 161 etot -8.6364E+01 mv 6 83 108 81 0 c 108 57.0 0.2 - 4 e 243 196 etot -8.7610E+01 mv 6 83 150 96 0 - 4 e 289 192 etot -7.8706E+01 mv 6 83 150 103 0 - 4 e 331 190 etot -8.2407E+01 mv 6 83 176 140 0 - 4 e 203 204 etot -8.9995E+01 mv 2 83 152 132 0 - 4 e 196 207 etot -9.0193E+01 mv 2 83 184 -28 0 c 184 2.3 0.0 - 4 e 689 154 etot -8.0326E+01 mv 6 83 13 162 0 - 4 e 326 194 etot -7.3247E+01 mv 6 83 150 123 0 - 4 e 568 166 etot -8.3983E+01 mv 6 83 108 96 0 - 4 e 346 169 etot -8.1538E+01 mv 6 83 108 137 0 - 4 e 307 199 etot -8.1915E+01 mv 6 83 150 186 0 - 4 e 277 184 etot -7.0403E+01 mv 6 83 176 96 0 - 4 e 409 189 etot -8.2295E+01 mv 6 83 176 30 0 - -1 e 1 228 etot 1.3528E+20 mv 2 83 90 -69 0 - -1 e 1 229 etot 1.3528E+20 mv 2 83 90 -111 0 - 4 e 339 203 etot -8.7767E+01 mv 2 83 152 -76 0 - 4 e 153 220 etot -7.1296E+01 mv 2 83 185 98 0 - 4 e 137 221 etot -8.7039E+01 mv 2 83 135 3 0 - 4 e 470 193 etot -8.5510E+01 mv 6 83 150 194 0 - 4 e 298 211 etot -8.8010E+01 mv 2 83 103 81 0 - 4 e 332 210 etot -7.8723E+01 mv 2 83 184 192 0 - 4 e 243 218 etot -7.3422E+01 mv 2 83 185 22 0 - 4 e 206 224 etot -7.4835E+01 mv 2 83 135 132 0 - 4 e 418 205 etot -7.8435E+01 mv 2 83 152 -194 0 - 4 e 281 217 etot -8.0956E+01 mv 2 83 185 163 0 - 4 e 177 226 etot -8.7008E+01 mv 2 83 90 153 0 - 4 e 611 186 etot -8.2602E+01 mv 6 83 176 59 0 - 4 e 435 209 etot -7.8745E+01 mv 2 83 184 -149 0 - 4 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- 4 e 500 222 etot -7.9742E+01 mv 2 83 135 54 0 - 4 e 220 250 etot -6.9517E+01 mv 2 83 195 -154 0 - 4 e 373 234 etot -8.6726E+01 mv 2 83 2 192 0 - -1 e 1 267 etot 1.3528E+20 mv 2 83 107 -124 0 - 4 e 174 255 etot -8.6335E+01 mv 2 83 105 52 0 - 4 e 339 227 etot -8.3099E+01 mv 2 83 90 -49 0 - 4 e 235 253 etot -7.9775E+01 mv 2 83 105 195 0 - 4 e 592 201 etot -7.9918E+01 mv 2 83 152 -83 0 - 4 e 290 252 etot -7.8267E+01 mv 2 83 105 -112 0 - 4 e 331 248 etot -8.3440E+01 mv 2 83 195 92 0 - 4 e 493 233 etot -7.7529E+01 mv 2 83 2 -33 0 - 4 e 664 219 etot -8.6902E+01 mv 2 83 185 -54 0 - 4 e 698 215 etot -8.7588E+01 mv 2 83 103 -119 0 - 4 e 411 225 etot -7.9731E+01 mv 2 83 135 -138 0 - 4 e 261 244 etot -7.2686E+01 mv 2 83 189 191 0 - 4 e 262 254 etot -8.6335E+01 mv 2 83 105 -146 0 - 4 e 439 239 etot -8.1477E+01 mv 2 83 140 -20 0 - 4 e 277 249 etot -7.4996E+01 mv 2 83 195 143 0 - -1 e 1 282 etot 1.3528E+20 mv 2 83 108 -198 0 - 4 e 309 256 etot -8.5997E+01 mv 2 83 20 23 0 - 4 e 189 265 etot 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-8.7060E+01 mv 0 83 185 0 0 c 185 0.0 0.0 - 4 e 196 386 etot -8.6081E+01 mv 1 83 99 5 0 - 4 e 308 372 etot -8.6236E+01 mv 1 83 35 15 0 - 4 e 19 407 etot -8.6727E+01 mv 0 83 2 0 0 c 2 0.0 0.0 - 4 e 183 390 etot -8.4646E+01 mv 1 83 99 8 0 - 4 e 36 405 etot -8.7040E+01 mv 0 83 135 0 0 c 135 0.1 0.0 - 4 e 26 410 etot -8.6379E+01 mv 0 83 195 0 0 c 195 0.0 0.0 - 4 e 68 401 etot -8.9995E+01 mv 0 83 152 0 0 c 152 0.2 0.0 - 4 e 13 413 etot -8.6327E+01 mv 0 83 197 0 0 - 4 e 12 414 etot -8.6293E+01 mv 0 83 107 0 0 - 4 e 41 408 etot -8.6692E+01 mv 0 83 140 0 0 c 140 0.1 0.0 - 4 e 14 415 etot -8.6236E+01 mv 0 83 35 0 0 c 35 0.0 0.0 -## N0 total= 22 close= 19 far= 0 %acc 86.4 -## N1 total= 98 close= 0 far= 0 %acc 0.0 -## N2 total= 100 close= 1 far= 0 %acc 1.0 -## N3 total= 0 close= 0 far= 0 %acc 0.0 -## N4 total= 0 close= 0 far= 0 %acc 0.0 -## N5 total= 0 close= 0 far= 0 %acc 0.0 -## N6 total= 200 close= 13 far= 0 %acc 6.5 -## N7 total= 0 close= 0 far= 0 %acc 0.0 -## N8 total= 0 close= 0 far= 0 %acc 0.0 -## N9 total= 0 close= 0 far= 0 %acc 0.0 -##N10 total= 0 close= 0 far= 0 %acc 0.0 -##N11 total= 0 close= 0 far= 0 %acc 0.0 -##N12 total= 0 close= 0 far= 0 %acc 0.0 -##N13 total= 0 close= 0 far= 0 %acc 0.0 -##N14 total= 0 close= 0 far= 0 %acc 0.0 -##N15 total= 0 close= 0 far= 0 %acc 0.0 -##N16 total= 0 close= 0 far= 0 %acc 0.0 -##N17 total= 0 close= 0 far= 0 %acc 0.0 -##N18 total= 0 close= 0 far= 0 %acc 0.0 - Time for refresh 84 0.27 - make_var : nseed= 20 ntry= 420 - Time for make trial 85 0.08 -Nonsetup time 164.77 sec, Eval/s = 64853.70 -Time for iter 85 1.80 sec, Eval/s = 69493.47 - UPDATING 420 - 4 e 15 417 etot -8.6115E+01 mv 0 83 108 0 0 - 4 e 342 397 etot -8.5731E+01 mv 1 83 150 131 0 - 4 e 466 377 etot -7.7560E+01 mv 1 83 13 194 0 - 4 e 110 411 etot -8.6335E+01 mv 0 83 105 0 0 c 105 0.2 0.0 - 4 e 639 367 etot -8.5176E+01 mv 1 83 107 -149 0 - 4 e 129 402 etot -9.0194E+01 mv 0 83 184 0 0 c 184 0.8 0.0 - 4 e 595 366 etot -7.0633E+01 mv 1 83 107 -31 0 - 4 e 427 374 etot 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etot 1.3528E+20 mv 2 84 200 -130 0 - 4 e 373 167 etot -8.1004E+01 mv 6 84 17 158 0 - -1 e 1 217 etot 1.3528E+20 mv 2 84 189 41 0 - 4 e 579 151 etot -7.9945E+01 mv 6 84 52 133 0 - 4 e 274 198 etot -8.4571E+01 mv 6 84 44 174 0 - 4 e 299 183 etot -7.1974E+01 mv 6 84 80 133 0 - 4 e 395 193 etot -7.4108E+01 mv 6 84 44 195 0 - 4 e 538 180 etot -8.3016E+01 mv 6 84 42 189 0 - 4 e 394 192 etot -8.7526E+01 mv 6 84 44 83 0 - 4 e 375 194 etot -7.8674E+01 mv 6 84 44 61 0 - 4 e 747 163 etot -8.5683E+01 mv 6 84 17 22 0 - 4 e 615 178 etot -8.5672E+01 mv 6 84 42 167 0 - 4 e 158 218 etot -8.7820E+01 mv 2 84 189 192 0 - 4 e 599 155 etot -8.4874E+01 mv 6 84 52 7 0 - 4 e 259 209 etot -8.9285E+01 mv 2 84 107 84 0 c 107 2.9 0.0 - 4 e 408 182 etot -8.5129E+01 mv 6 84 80 129 0 - 4 e 302 210 etot -7.9170E+01 mv 2 84 107 30 0 - -1 e 1 232 etot 1.3528E+20 mv 2 84 25 92 0 - 4 e 331 208 etot -8.9284E+01 mv 2 84 107 54 0 - 4 e 461 201 etot -7.2457E+01 mv 2 84 122 -180 0 - 4 e 492 196 etot -8.4172E+01 mv 6 84 44 132 0 - 4 e 601 162 etot -8.5684E+01 mv 6 84 17 52 0 - 4 e 424 204 etot -8.8228E+01 mv 2 84 122 63 0 - 4 e 396 207 etot -7.5433E+01 mv 2 84 107 -122 0 - 4 e 268 220 etot -8.5152E+01 mv 2 84 189 -99 0 - 4 e 205 225 etot -8.7524E+01 mv 2 84 197 27 0 c 197 1.7 0.0 - 4 e 139 230 etot -8.7971E+01 mv 2 84 59 185 0 - 4 e 403 213 etot -8.8059E+01 mv 2 84 200 -3 0 c 200 4.3 0.0 - -1 e 1 243 etot 1.3528E+20 mv 2 84 108 -151 0 - 4 e 429 212 etot -8.4085E+01 mv 2 84 200 146 0 - 4 e 450 189 etot -8.4192E+01 mv 6 84 80 99 0 - 4 e 579 202 etot -8.2350E+01 mv 2 84 122 191 0 - 4 e 456 191 etot -8.6824E+01 mv 6 84 44 22 0 - 4 e 261 226 etot -8.7971E+01 mv 2 84 59 -17 0 - 4 e 615 203 etot -7.2440E+01 mv 2 84 122 -147 0 - 4 e 407 219 etot -7.7677E+01 mv 2 84 189 110 0 - 4 e 328 223 etot -7.3328E+01 mv 2 84 197 -19 0 - 4 e 198 233 etot -8.7419E+01 mv 2 84 25 114 0 - 4 e 186 236 etot -8.7381E+01 mv 2 84 41 76 0 - -1 e 1 253 etot 1.3528E+20 mv 2 84 85 -56 0 - -1 e 1 254 etot 1.3528E+20 mv 2 84 85 -49 0 - 4 e 181 231 etot -7.3274E+01 mv 2 84 25 47 0 - 4 e 510 214 etot -8.1094E+01 mv 2 84 200 -61 0 - 4 e 195 238 etot -8.7381E+01 mv 2 84 41 120 0 - 4 e 189 239 etot -8.6975E+01 mv 2 84 41 100 0 - 4 e 312 221 etot -8.7523E+01 mv 2 84 197 -69 0 - 4 e 564 211 etot -8.8059E+01 mv 2 84 200 -137 0 - 4 e 464 222 etot -7.8209E+01 mv 2 84 197 -108 0 - 4 e 575 216 etot -8.7818E+01 mv 2 84 189 -157 0 - 4 e 339 235 etot -8.7638E+01 mv 2 84 25 88 0 c 25 67.5 0.2 - 4 e 589 195 etot -7.7950E+01 mv 6 84 44 198 0 - 4 e 264 241 etot -7.5148E+01 mv 2 84 108 -100 0 - -1 e 1 267 etot 1.3528E+20 mv 2 84 112 127 0 - 4 e 172 250 etot -7.9248E+01 mv 2 84 128 63 0 - 4 e 362 234 etot -7.2452E+01 mv 2 84 25 -53 0 - 4 e 414 228 etot -8.0734E+01 mv 2 84 59 26 0 - 4 e 184 252 etot -8.5924E+01 mv 2 84 85 5 0 - 4 e 464 227 etot -8.9863E+01 mv 2 84 59 192 0 - 4 e 219 251 etot -8.5924E+01 mv 2 84 85 119 0 - 4 e 355 240 etot -8.7380E+01 mv 2 84 41 158 0 - 4 e 209 258 etot -7.5732E+01 mv 2 84 5 106 0 - 4 e 557 206 etot -8.9283E+01 mv 2 84 107 -122 0 - 4 e 284 249 etot -7.3471E+01 mv 2 84 128 35 0 - 4 e 243 260 etot -7.2052E+01 mv 2 84 5 -75 0 - 4 e 362 229 etot -7.4022E+01 mv 2 84 59 49 0 - 4 e 308 259 etot -7.7807E+01 mv 2 84 5 45 0 - 4 e 257 263 etot -8.5839E+01 mv 2 84 132 -128 0 - 4 e 193 272 etot -8.5054E+01 mv 2 84 4 141 0 - 4 e 393 256 etot -8.5899E+01 mv 2 84 5 -17 0 - 4 e 739 224 etot -7.7874E+01 mv 2 84 197 112 0 - 4 e 456 245 etot -7.8678E+01 mv 2 84 108 -128 0 - -1 e 1 283 etot 1.3528E+20 mv 2 84 17 145 0 - 4 e 230 271 etot -8.6242E+01 mv 2 84 4 21 0 - 4 e 206 273 etot -8.6504E+01 mv 2 84 4 13 0 - -1 e 1 289 etot 1.3528E+20 mv 2 84 42 -47 0 - 4 e 251 268 etot -8.5718E+01 mv 2 84 112 137 0 - 4 e 503 244 etot -7.0480E+01 mv 2 84 108 -120 0 - 4 e 519 242 etot -7.2818E+01 mv 2 84 108 -32 0 - 4 e 317 248 etot -8.6118E+01 mv 2 84 128 36 0 - 4 e 337 264 etot -7.5268E+01 mv 2 84 132 170 0 - 4 e 307 269 etot -6.4408E+01 mv 2 84 112 -74 0 - -1 e 1 296 etot 1.3528E+20 mv 2 84 44 -93 0 - -1 e 1 297 etot 1.3528E+20 mv 2 84 44 -158 0 - 4 e 510 247 etot -7.3161E+01 mv 2 84 128 -138 0 - 4 e 215 279 etot -8.6085E+01 mv 2 84 52 107 0 - 4 e 279 275 etot -8.6504E+01 mv 2 84 4 171 0 - 4 e 110 288 etot -8.5643E+01 mv 2 84 42 -120 0 - 4 e 247 266 etot -8.5719E+01 mv 2 84 112 52 0 - 4 e 426 262 etot -7.4292E+01 mv 2 84 132 -116 0 - 4 e 555 255 etot -8.2302E+01 mv 2 84 85 -169 0 - 4 e 343 276 etot -6.6826E+01 mv 2 84 52 107 0 - 4 e 314 278 etot -8.6085E+01 mv 2 84 52 -28 0 - 4 e 241 281 etot -8.5686E+01 mv 2 84 17 -111 0 - 4 e 213 287 etot -8.5643E+01 mv 2 84 42 144 0 - 4 e 437 270 etot -8.5715E+01 mv 2 84 112 -80 0 - 4 e 178 293 etot -7.2247E+01 mv 2 84 80 126 0 - 4 e 467 246 etot -7.5942E+01 mv 2 84 128 -193 0 - 4 e 513 265 etot -7.3873E+01 mv 2 84 132 117 0 - 4 e 227 292 etot -8.5610E+01 mv 2 84 80 155 0 - 4 e 256 284 etot -7.8633E+01 mv 2 84 17 43 0 - 4 e 266 285 etot -8.5686E+01 mv 2 84 17 126 0 - 4 e 302 286 etot -8.5643E+01 mv 2 84 42 -187 0 - 4 e 480 274 etot -5.8616E+01 mv 2 84 4 -108 0 - 4 e 607 237 etot -6.7984E+01 mv 2 84 41 -22 0 - 4 e 362 282 etot -8.1992E+01 mv 2 84 17 174 0 - 4 e 176 307 etot -6.3116E+01 mv 1 84 107 -37 0 - 4 e 260 301 etot -8.8104E+01 mv 1 84 122 81 0 - 4 e 206 303 etot -8.8104E+01 mv 1 84 122 -134 0 - 4 e 397 291 etot -7.6263E+01 mv 2 84 80 -17 0 - 4 e 434 290 etot -7.7526E+01 mv 2 84 42 27 0 - 4 e 382 299 etot -7.3568E+01 mv 2 84 44 107 0 - 4 e 344 302 etot -8.8103E+01 mv 1 84 122 117 0 - 4 e 176 318 etot -7.2514E+01 mv 1 84 189 20 0 - 4 e 552 261 etot -8.5824E+01 mv 2 84 132 168 0 - 4 e 275 311 etot -8.4086E+01 mv 1 84 200 -49 0 - -1 e 1 330 etot 1.3528E+20 mv 1 84 59 -102 0 - 4 e 447 298 etot -7.8815E+01 mv 2 84 44 -168 0 - 4 e 343 306 etot -8.9284E+01 mv 1 84 107 133 0 - 4 e 389 304 etot -8.3902E+01 mv 1 84 122 -93 0 - 4 e 476 300 etot -7.0415E+01 mv 2 84 44 -10 0 - 4 e 191 320 etot -8.7820E+01 mv 1 84 189 32 0 - 4 e 455 280 etot -7.9566E+01 mv 2 84 52 109 0 - 4 e 316 315 etot -8.8059E+01 mv 1 84 200 155 0 c 200 1.9 0.0 - 4 e 327 314 etot -8.4643E+01 mv 1 84 200 131 0 - 4 e 410 308 etot -7.6634E+01 mv 1 84 107 98 0 - 4 e 420 309 etot -8.5988E+01 mv 1 84 107 -68 0 - 4 e 535 277 etot -7.8493E+01 mv 2 84 52 54 0 - -1 e 1 342 etot 3.0355E+20 mv 1 84 108 118 0 - 4 e 380 316 etot -8.6667E+01 mv 1 84 189 -50 0 - 4 e 436 310 etot -8.4860E+01 mv 1 84 107 51 0 - -1 e 1 345 etot 1.3528E+20 mv 1 84 108 -30 0 - 4 e 587 295 etot -8.5609E+01 mv 2 84 80 -57 0 - 4 e 723 257 etot -8.5899E+01 mv 2 84 5 15 0 - 4 e 294 322 etot -7.0257E+01 mv 1 84 197 -148 0 - 4 e 383 317 etot -8.1133E+01 mv 1 84 189 -23 0 - 4 e 194 332 etot -7.4410E+01 mv 1 84 25 -107 0 - 4 e 211 328 etot -8.7971E+01 mv 1 84 59 -17 0 - 4 e 211 333 etot -8.7420E+01 mv 1 84 25 129 0 - 4 e 484 313 etot -8.8058E+01 mv 1 84 200 -108 0 - 4 e 298 325 etot -8.7523E+01 mv 1 84 197 -182 0 - 4 e 583 305 etot -8.1018E+01 mv 1 84 122 169 0 - 4 e 199 336 etot -8.6975E+01 mv 1 84 41 -169 0 - 4 e 493 294 etot -7.9377E+01 mv 2 84 80 64 0 - 4 e 195 339 etot -7.2710E+01 mv 1 84 41 -108 0 - 4 e 212 340 etot -8.7381E+01 mv 1 84 41 -78 0 - 4 e 263 338 etot -8.7381E+01 mv 1 84 41 37 0 - -1 e 1 361 etot 1.3528E+20 mv 1 84 132 84 0 - 4 e 407 326 etot -8.7970E+01 mv 1 84 59 67 0 - 4 e 138 353 etot -8.5924E+01 mv 1 84 85 128 0 - 4 e 515 321 etot -8.2524E+01 mv 1 84 197 -23 0 - 4 e 155 348 etot -8.6118E+01 mv 1 84 128 -22 0 - 4 e 238 347 etot -8.6118E+01 mv 1 84 128 5 0 - -1 e 1 366 etot 1.3528E+20 mv 1 84 112 -188 0 - 4 e 203 351 etot -8.5130E+01 mv 1 84 85 -175 0 - 4 e 261 346 etot -8.6118E+01 mv 1 84 128 -179 0 - 4 e 245 350 etot -8.6118E+01 mv 1 84 128 22 0 - 4 e 261 349 etot -8.6118E+01 mv 1 84 128 171 0 - 4 e 238 352 etot -8.5923E+01 mv 1 84 85 8 0 - 4 e 318 341 etot -8.3300E+01 mv 1 84 108 -81 0 - 4 e 441 319 etot -7.6953E+01 mv 1 84 189 50 0 - 4 e 323 344 etot -8.6369E+01 mv 1 84 108 70 0 c 108 4.0 0.0 - 4 e 227 343 etot -8.6369E+01 mv 1 84 108 -85 0 - 4 e 282 337 etot -8.6119E+01 mv 1 84 41 55 0 - 4 e 475 331 etot -7.4507E+01 mv 1 84 25 -106 0 - -1 e 1 379 etot 1.3528E+20 mv 1 84 52 -71 0 - 4 e 566 324 etot -7.9367E+01 mv 1 84 197 80 0 - 4 e 534 312 etot -8.8059E+01 mv 1 84 200 144 0 - 4 e 248 355 etot -7.4397E+01 mv 1 84 85 69 0 - 4 e 536 327 etot -7.8257E+01 mv 1 84 59 -158 0 - 4 e 477 335 etot -8.7419E+01 mv 1 84 25 -121 0 - 4 e 163 363 etot -8.5839E+01 mv 1 84 132 33 0 - 4 e 403 329 etot -8.7970E+01 mv 1 84 59 55 0 - 4 e 157 371 etot -8.5109E+01 mv 1 84 4 -153 0 - 4 e 567 334 etot -8.4157E+01 mv 1 84 25 -17 0 - 4 e 353 357 etot -8.4448E+01 mv 1 84 5 -187 0 - 4 e 481 323 etot -8.3214E+01 mv 1 84 197 -147 0 - 4 e 217 370 etot -6.8050E+01 mv 1 84 112 -199 0 - -1 e 1 392 etot 1.3536E+20 mv 1 84 80 -118 0 - 4 e 281 362 etot -8.2169E+01 mv 1 84 132 45 0 - 4 e 387 356 etot -8.5391E+01 mv 1 84 5 25 0 - 4 e 350 360 etot -7.8438E+01 mv 1 84 5 80 0 - 4 e 277 358 etot -8.5901E+01 mv 1 84 5 85 0 - 4 e 298 364 etot -8.5839E+01 mv 1 84 132 147 0 - 4 e 294 365 etot -8.1557E+01 mv 1 84 132 107 0 - 4 e 197 368 etot -8.5719E+01 mv 1 84 112 73 0 - 4 e 445 354 etot -7.9735E+01 mv 1 84 85 171 0 - 4 e 10 401 etot -8.8104E+01 mv 0 84 122 0 0 c 122 0.0 0.0 - 4 e 256 376 etot -8.5865E+01 mv 1 84 52 117 0 - 4 e 216 383 etot -8.5686E+01 mv 1 84 17 45 0 - 4 e 138 388 etot -8.2133E+01 mv 1 84 42 182 0 - 4 e 302 373 etot -7.3324E+01 mv 1 84 4 113 0 - 4 e 219 386 etot -8.5643E+01 mv 1 84 42 200 0 - 4 e 360 367 etot -8.5425E+01 mv 1 84 112 58 0 - 4 e 310 372 etot -8.4708E+01 mv 1 84 4 -124 0 - 4 e 2 408 etot -8.7381E+01 mv 0 84 41 0 0 - 4 e 270 381 etot -8.5686E+01 mv 1 84 17 -193 0 - 4 e 27 406 etot -8.7971E+01 mv 0 84 59 0 0 c 59 0.0 0.0 - 4 e 11 410 etot -8.6119E+01 mv 0 84 128 0 0 c 128 0.0 0.0 - 4 e 12 411 etot -8.5924E+01 mv 0 84 85 0 0 c 85 0.0 0.0 - 4 e 15 414 etot -8.5719E+01 mv 0 84 112 0 0 c 112 0.0 0.0 - 4 e 34 413 etot -8.5840E+01 mv 0 84 132 0 0 c 132 0.1 0.0 - 4 e 41 412 etot -8.5901E+01 mv 0 84 5 0 0 c 5 0.1 0.0 - 4 e 407 369 etot -8.5717E+01 mv 1 84 112 -42 0 - 4 e 71 407 etot -8.7420E+01 mv 0 84 25 0 0 - 4 e 129 402 etot -8.9285E+01 mv 0 84 107 0 0 c 107 3.1 0.0 -## N0 total= 19 close= 15 far= 0 %acc 78.9 -## N1 total= 101 close= 4 far= 0 %acc 4.0 -## N2 total= 100 close= 4 far= 0 %acc 4.0 -## N3 total= 0 close= 0 far= 0 %acc 0.0 -## N4 total= 0 close= 0 far= 0 %acc 0.0 -## N5 total= 0 close= 0 far= 0 %acc 0.0 -## N6 total= 200 close= 10 far= 0 %acc 5.0 -## N7 total= 0 close= 0 far= 0 %acc 0.0 -## N8 total= 0 close= 0 far= 0 %acc 0.0 -## N9 total= 0 close= 0 far= 0 %acc 0.0 -##N10 total= 0 close= 0 far= 0 %acc 0.0 -##N11 total= 0 close= 0 far= 0 %acc 0.0 -##N12 total= 0 close= 0 far= 0 %acc 0.0 -##N13 total= 0 close= 0 far= 0 %acc 0.0 -##N14 total= 0 close= 0 far= 0 %acc 0.0 -##N15 total= 0 close= 0 far= 0 %acc 0.0 -##N16 total= 0 close= 0 far= 0 %acc 0.0 -##N17 total= 0 close= 0 far= 0 %acc 0.0 -##N18 total= 0 close= 0 far= 0 %acc 0.0 - Time for refresh 85 0.26 - make_var : nseed= 20 ntry= 420 - Time for make trial 86 0.07 -Nonsetup time 166.57 sec, Eval/s = 64911.87 -Time for iter 86 1.80 sec, Eval/s = 70233.96 - UPDATING 420 - 4 e 169 417 etot -8.5687E+01 mv 0 84 17 0 0 - 4 e 245 389 etot -8.5643E+01 mv 1 84 42 -81 0 - 4 e 488 384 etot -8.6796E+01 mv 1 84 17 -1 0 - 4 e 350 396 etot -7.6852E+01 mv 1 84 44 62 0 - 4 e 62 416 etot -8.6086E+01 mv 0 84 52 0 0 c 52 0.2 0.0 - 4 e 76 415 etot -8.6504E+01 mv 0 84 4 0 0 c 4 0.3 0.0 - 4 e 259 390 etot -8.5642E+01 mv 1 84 42 -23 0 - 4 e 618 359 etot -7.3911E+01 mv 1 84 5 -103 0 - 4 e 373 398 etot -7.9337E+01 mv 1 84 44 -96 0 - -1 e 1 1 etot 1.3528E+20 mv 6 85 27 200 0 - 4 e 131 405 etot -8.7524E+01 mv 0 84 197 0 0 c 197 0.8 0.0 - 4 e 439 399 etot -8.7012E+01 mv 1 84 44 7 0 - 4 e 372 395 etot -8.3884E+01 mv 1 84 80 48 0 - 4 e 113 420 etot -8.7014E+01 mv 0 84 44 0 0 c 44 0.3 0.0 - 4 e 404 374 etot -7.6131E+01 mv 1 84 4 -164 0 - 4 e 622 380 etot -7.8098E+01 mv 1 84 52 22 0 - 4 e 16 419 etot -8.5611E+01 mv 0 84 80 0 0 c 80 0.0 0.0 - 4 e 35 418 etot -8.5643E+01 mv 0 84 42 0 0 - 4 e 223 393 etot -8.5098E+01 mv 1 84 80 -128 0 - 4 e 296 394 etot -8.1588E+01 mv 1 84 80 42 0 - 4 e 143 404 etot -8.7820E+01 mv 0 84 189 0 0 - 4 e 457 385 etot -8.0756E+01 mv 1 84 17 176 0 - 4 e 149 409 etot -8.6369E+01 mv 0 84 108 0 0 c 108 1.2 0.0 - 4 e 162 403 etot -8.8060E+01 mv 0 84 200 0 0 c 200 1.8 0.0 - 4 e 483 400 etot -8.1733E+01 mv 1 84 44 -17 0 - 4 e 290 397 etot -8.4876E+01 mv 1 84 44 -49 0 - -1 e 1 19 etot 1.3528E+20 mv 6 85 101 121 0 - 4 e 384 382 etot -7.6355E+01 mv 1 84 17 108 0 - 4 e 253 377 etot -8.6085E+01 mv 1 84 52 -135 0 - 4 e 401 375 etot -7.3598E+01 mv 1 84 4 -69 0 - 4 e 421 387 etot -7.2881E+01 mv 1 84 42 -119 0 - 4 e 384 391 etot -7.8460E+01 mv 1 84 80 -11 0 - 4 e 364 378 etot -7.3292E+01 mv 1 84 52 -13 0 - -1 e 1 32 etot 1.3528E+20 mv 6 85 97 104 0 - -1 e 1 10 etot 1.3528E+20 mv 6 85 27 46 0 - -1 e 1 24 etot 1.3528E+20 mv 6 85 174 128 0 - 4 e 192 29 etot -7.3469E+01 mv 6 85 174 140 0 - 4 e 195 11 etot -8.7900E+01 mv 6 85 101 84 0 - 4 e 196 23 etot -7.1900E+01 mv 6 85 174 103 0 - 4 e 257 25 etot -7.2962E+01 mv 6 85 174 109 0 - 4 e 274 31 etot -8.6315E+01 mv 6 85 97 12 0 - 4 e 291 4 etot -7.2958E+01 mv 6 85 27 36 0 - 4 e 273 21 etot -7.9772E+01 mv 6 85 174 79 0 - 4 e 312 6 etot -7.8276E+01 mv 6 85 27 44 0 - 4 e 286 17 etot -8.6184E+01 mv 6 85 101 36 0 - 4 e 293 27 etot -8.3322E+01 mv 6 85 174 87 0 - 4 e 340 16 etot -7.8096E+01 mv 6 85 101 198 0 - 4 e 316 15 etot -8.8046E+01 mv 6 85 101 180 0 - 4 e 307 9 etot -8.7040E+01 mv 6 85 27 88 0 - 4 e 361 5 etot -8.3619E+01 mv 6 85 27 17 0 - 4 e 328 28 etot -8.6668E+01 mv 6 85 174 23 0 c 23 38.2 0.0 - 4 e 322 34 etot -8.7120E+01 mv 6 85 97 135 0 - 4 e 330 2 etot -8.2348E+01 mv 6 85 27 23 0 - 4 e 334 3 etot -8.3003E+01 mv 6 85 27 75 0 - -1 e 1 54 etot 1.3528E+20 mv 6 85 22 118 0 - 4 e 328 35 etot -7.5179E+01 mv 6 85 97 54 0 - 4 e 372 30 etot -8.2638E+01 mv 6 85 174 157 0 - 4 e 383 13 etot -7.6602E+01 mv 6 85 101 99 0 - 4 e 372 22 etot -7.7021E+01 mv 6 85 174 200 0 - 4 e 417 7 etot -8.3003E+01 mv 6 85 27 60 0 - 4 e 394 33 etot -8.1755E+01 mv 6 85 97 129 0 - 4 e 190 38 etot -6.8473E+01 mv 6 85 97 70 0 - 4 e 389 18 etot -7.4159E+01 mv 6 85 101 150 0 - 4 e 400 26 etot -7.4249E+01 mv 6 85 174 46 0 - 4 e 222 37 etot -8.4780E+01 mv 6 85 97 63 0 - 4 e 405 36 etot -8.6887E+01 mv 6 85 97 107 0 - 4 e 444 12 etot -8.5718E+01 mv 6 85 101 112 0 - 4 e 401 8 etot -8.4397E+01 mv 6 85 27 154 0 c 27 112.9 0.1 - 4 e 458 14 etot -8.9161E+01 mv 6 85 101 167 0 - 4 e 464 20 etot -8.2741E+01 mv 6 85 101 104 0 - 4 e 167 55 etot -8.6014E+01 mv 6 85 22 61 0 - 4 e 129 57 etot -7.0546E+01 mv 6 85 22 64 0 - 4 e 290 50 etot -8.3269E+01 mv 6 85 25 56 0 - 4 e 223 46 etot -7.2831E+01 mv 6 85 25 108 0 - 4 e 287 53 etot -8.3004E+01 mv 6 85 22 27 0 - 4 e 308 40 etot -8.6713E+01 mv 6 85 97 104 0 - 4 e 297 47 etot -8.3023E+01 mv 6 85 25 34 0 - 4 e 311 56 etot -7.7687E+01 mv 6 85 22 155 0 - 4 e 426 42 etot -8.7322E+01 mv 6 85 25 69 0 - 4 e 254 58 etot -8.6826E+01 mv 6 85 22 88 0 - 4 e 309 60 etot -7.0183E+01 mv 6 85 22 27 0 - 4 e 430 44 etot -7.6683E+01 mv 6 85 25 30 0 - 4 e 10 81 etot -8.4391E+01 mv 6 85 32 194 0 c 194 0.0 0.0 - 4 e 425 39 etot -7.8525E+01 mv 6 85 97 187 0 - 4 e 383 43 etot -7.4734E+01 mv 6 85 25 157 0 - 4 e 233 61 etot -7.9796E+01 mv 6 85 28 47 0 - 4 e 149 72 etot -7.9134E+01 mv 6 85 119 102 0 - 4 e 406 48 etot -7.9330E+01 mv 6 85 25 115 0 - 4 e 346 59 etot -8.2962E+01 mv 6 85 22 21 0 - 4 e 351 45 etot -7.9947E+01 mv 6 85 25 126 0 - -1 e 1 89 etot 1.3528E+20 mv 6 85 32 95 0 - 4 e 261 68 etot -7.6409E+01 mv 6 85 28 138 0 - 4 e 355 62 etot -8.4117E+01 mv 6 85 28 196 0 - 4 e 235 70 etot -7.6568E+01 mv 6 85 28 46 0 - 4 e 171 74 etot -8.1944E+01 mv 6 85 119 135 0 - 4 e 176 78 etot -8.6163E+01 mv 6 85 119 146 0 - 4 e 340 69 etot -7.6790E+01 mv 6 85 28 77 0 - 4 e 141 76 etot -7.4072E+01 mv 6 85 119 46 0 - 4 e 292 65 etot -8.9445E+01 mv 6 85 28 168 0 - 4 e 312 63 etot -8.5925E+01 mv 6 85 28 170 0 - 4 e 351 71 etot -7.7155E+01 mv 6 85 119 175 0 - 4 e 480 41 etot -7.2376E+01 mv 6 85 25 179 0 - 4 e 297 73 etot -8.6453E+01 mv 6 85 119 51 0 - 4 e 331 64 etot -7.8941E+01 mv 6 85 28 30 0 - 4 e 460 66 etot -8.0899E+01 mv 6 85 28 72 0 - 4 e 335 75 etot -8.8752E+01 mv 6 85 119 68 0 - 4 e 145 93 etot -8.5924E+01 mv 6 85 98 85 0 - -1 e 1 107 etot 1.3528E+20 mv 6 85 144 174 0 - 4 e 583 49 etot -7.5145E+01 mv 6 85 25 95 0 - -1 e 1 108 etot 1.3528E+20 mv 6 85 144 18 0 - 4 e 332 77 etot -7.9009E+01 mv 6 85 119 24 0 - 4 e 255 88 etot -8.8086E+01 mv 6 85 32 135 0 - 4 e 230 90 etot -7.9790E+01 mv 6 85 32 172 0 - 4 e 509 52 etot -8.5308E+01 mv 6 85 22 77 0 - 4 e 359 79 etot -8.6029E+01 mv 6 85 119 193 0 - 4 e 374 80 etot -8.6926E+01 mv 6 85 119 115 0 - 4 e 543 67 etot -8.5963E+01 mv 6 85 28 96 0 - 4 e 291 91 etot -8.3813E+01 mv 6 85 98 168 0 - 4 e 217 101 etot -8.2062E+01 mv 6 85 144 114 0 - 4 e 248 100 etot -7.0791E+01 mv 6 85 98 173 0 - 4 e 500 51 etot -8.5259E+01 mv 6 85 22 27 0 c 123 76.4 0.5 - 4 e 149 102 etot -6.5011E+01 mv 6 85 144 146 0 - 4 e 389 85 etot -8.6254E+01 mv 6 85 32 135 0 - 4 e 170 105 etot -6.7187E+01 mv 6 85 144 17 0 - -1 e 1 124 etot 1.3528E+20 mv 6 85 198 118 0 - 4 e 239 103 etot -8.3729E+01 mv 6 85 144 9 0 - 4 e 456 83 etot -7.8350E+01 mv 6 85 32 1 0 - 4 e 313 97 etot -8.0673E+01 mv 6 85 98 103 0 - -1 e 1 128 etot 1.3528E+20 mv 6 85 198 87 0 - 4 e 152 112 etot -8.2128E+01 mv 6 85 141 68 0 - 4 e 489 84 etot -7.8990E+01 mv 6 85 32 58 0 - 4 e 53 125 etot -8.4574E+01 mv 6 85 198 62 0 c 62 0.2 0.0 - 4 e 385 92 etot -7.7258E+01 mv 6 85 98 115 0 - 4 e 344 96 etot -8.6132E+01 mv 6 85 98 178 0 - -1 e 1 134 etot 1.3528E+20 mv 6 85 61 16 0 - 4 e 217 111 etot -8.5398E+01 mv 6 85 141 186 0 - 4 e 152 120 etot -8.5641E+01 mv 6 85 141 192 0 - 4 e 419 95 etot -7.6197E+01 mv 6 85 98 194 0 - 4 e 330 87 etot -8.0998E+01 mv 6 85 32 48 0 - 4 e 570 82 etot -8.9525E+01 mv 6 85 32 122 0 - 4 e 362 86 etot -8.5909E+01 mv 6 85 32 171 0 - 4 e 299 99 etot -7.5829E+01 mv 6 85 98 147 0 - 4 e 10 141 etot -8.4291E+01 mv 6 85 33 178 0 c 178 0.0 0.0 - 4 e 260 115 etot -8.4519E+01 mv 6 85 141 159 0 - 4 e 320 106 etot -8.5951E+01 mv 6 85 144 134 0 - 4 e 332 109 etot -8.4403E+01 mv 6 85 144 80 0 - 4 e 218 116 etot -8.2081E+01 mv 6 85 141 170 0 - 4 e 141 132 etot -8.6014E+01 mv 6 85 61 19 0 - 4 e 274 118 etot -8.2824E+01 mv 6 85 141 200 0 - 4 e 374 110 etot -8.2641E+01 mv 6 85 144 98 0 - 4 e 379 98 etot -8.6132E+01 mv 6 85 98 154 0 - 4 e 200 135 etot -8.6014E+01 mv 6 85 61 16 0 - 4 e 329 119 etot -7.9836E+01 mv 6 85 141 104 0 - -1 e 1 153 etot 1.3528E+20 mv 6 85 111 1 0 - 4 e 274 127 etot -7.2902E+01 mv 6 85 198 12 0 - 4 e 382 113 etot -8.3485E+01 mv 6 85 141 115 0 - 4 e 217 122 etot -7.4305E+01 mv 6 85 198 153 0 - 4 e 304 123 etot -8.6157E+01 mv 6 85 198 176 0 - 4 e 302 126 etot -8.3175E+01 mv 6 85 198 126 0 - -1 e 1 159 etot 1.3528E+20 mv 6 85 111 53 0 - 4 e 422 117 etot -8.5490E+01 mv 6 85 141 143 0 - 4 e 234 121 etot -8.5580E+01 mv 6 85 198 146 0 - 4 e 278 136 etot -8.6013E+01 mv 6 85 61 80 0 - 4 e 340 130 etot -7.4105E+01 mv 6 85 198 158 0 - 4 e 253 140 etot -8.2604E+01 mv 6 85 61 82 0 - 4 e 16 163 etot -8.3779E+01 mv 6 85 72 125 0 c 125 0.0 0.0 - 4 e 686 94 etot -9.0732E+01 mv 6 85 98 116 0 - 4 e 367 104 etot -8.0378E+01 mv 6 85 144 96 0 - 4 e 317 138 etot -7.7323E+01 mv 6 85 61 162 0 - 4 e 377 114 etot -8.5694E+01 mv 6 85 141 80 0 - 4 e 410 129 etot -8.3175E+01 mv 6 85 198 13 0 - 4 e 294 144 etot -8.6195E+01 mv 6 85 33 129 0 - 4 e 412 133 etot -7.8245E+01 mv 6 85 61 159 0 - -1 e 1 173 etot 1.3528E+20 mv 6 85 171 115 0 - 4 e 11 174 etot -8.6660E+01 mv 6 85 171 23 0 - 4 e 261 150 etot -8.2269E+01 mv 6 85 33 179 0 - -1 e 1 176 etot 1.3528E+20 mv 6 85 171 102 0 - -1 e 1 177 etot 1.3528E+20 mv 6 85 171 17 0 - 4 e 243 152 etot -7.9575E+01 mv 6 85 111 127 0 - 4 e 468 131 etot -8.0019E+01 mv 6 85 61 177 0 - 4 e 446 137 etot -7.6113E+01 mv 6 85 61 15 0 - 4 e 302 142 etot -7.7683E+01 mv 6 85 33 108 0 - 4 e 373 147 etot -8.1187E+01 mv 6 85 33 152 0 - 4 e 254 161 etot -8.3923E+01 mv 6 85 72 7 0 - 4 e 283 160 etot -8.1064E+01 mv 6 85 111 126 0 - 4 e 410 148 etot -7.9973E+01 mv 6 85 33 18 0 - -1 e 1 185 etot 1.3528E+20 mv 6 85 34 196 0 - 4 e 394 149 etot -8.8869E+01 mv 6 85 33 196 0 - 4 e 213 157 etot -8.6692E+01 mv 6 85 111 140 0 - 4 e 458 145 etot -8.7380E+01 mv 6 85 33 53 0 - 4 e 446 146 etot -6.7308E+01 mv 6 85 33 71 0 - 4 e 260 166 etot -7.3190E+01 mv 6 85 72 60 0 - 4 e 391 155 etot -8.1313E+01 mv 6 85 111 84 0 - 4 e 304 151 etot -7.8892E+01 mv 6 85 111 127 0 - 4 e 283 171 etot -8.5477E+01 mv 6 85 171 135 0 - 4 e 451 154 etot -8.5551E+01 mv 6 85 111 54 0 - 4 e 411 143 etot -8.1620E+01 mv 6 85 33 63 0 - 4 e 124 190 etot -8.5195E+01 mv 6 85 34 166 0 c 166 1.8 0.0 - -1 e 1 198 etot 1.3528E+20 mv 6 85 76 135 0 - -1 e 1 199 etot 6.9295E+21 mv 6 85 76 23 0 - 4 e 473 156 etot -8.0835E+01 mv 6 85 111 81 0 - 4 e 505 158 etot -7.8755E+01 mv 6 85 111 113 0 - 4 e 435 164 etot -8.2102E+01 mv 6 85 72 36 0 - 4 e 212 186 etot -8.3123E+01 mv 6 85 34 120 0 - 4 e 322 178 etot -8.3353E+01 mv 6 85 171 149 0 - 4 e 369 175 etot -8.7838E+01 mv 6 85 171 62 0 - 4 e 320 180 etot -7.7378E+01 mv 6 85 171 121 0 - 4 e 434 169 etot -7.8049E+01 mv 6 85 72 177 0 - 4 e 472 167 etot -7.9944E+01 mv 6 85 72 171 0 - 4 e 484 165 etot -8.2395E+01 mv 6 85 72 139 0 - 4 e 341 179 etot -6.9956E+01 mv 6 85 171 169 0 - 4 e 286 168 etot -8.2179E+01 mv 6 85 72 67 0 - 4 e 423 172 etot -8.5476E+01 mv 6 85 171 20 0 - 4 e 343 183 etot -8.1534E+01 mv 6 85 34 47 0 - 4 e 309 191 etot -7.9825E+01 mv 6 85 76 65 0 - 4 e 288 196 etot -7.4338E+01 mv 6 85 76 116 0 - 4 e 174 208 etot -8.8207E+01 mv 2 85 101 66 0 - 4 e 450 162 etot -8.0390E+01 mv 6 85 72 50 0 - 4 e 236 204 etot -8.4305E+01 mv 2 85 27 14 0 - 4 e 330 200 etot -8.3308E+01 mv 6 85 76 166 0 - 4 e 452 170 etot -8.2499E+01 mv 6 85 72 11 0 - 4 e 336 201 etot -7.9280E+01 mv 2 85 27 -106 0 - -1 e 1 222 etot 1.3528E+20 mv 2 85 25 177 0 - 4 e 378 195 etot -8.5261E+01 mv 6 85 76 123 0 - 4 e 675 139 etot -8.3464E+01 mv 6 85 61 121 0 - -1 e 1 225 etot 1.3528E+20 mv 2 85 25 -198 0 - 4 e 524 184 etot -7.9692E+01 mv 6 85 34 38 0 - 4 e 280 205 etot -8.4305E+01 mv 2 85 27 7 0 - 4 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284 220 etot -7.4057E+01 mv 2 85 97 -70 0 - 4 e 521 189 etot -8.3978E+01 mv 6 85 34 165 0 - -1 e 1 250 etot 1.3528E+20 mv 2 85 98 -47 0 - 4 e 266 224 etot -8.7640E+01 mv 2 85 25 188 0 c 25 2.0 0.0 - 4 e 204 235 etot -8.6149E+01 mv 2 85 28 49 0 - 4 e 167 234 etot -6.5086E+01 mv 2 85 28 -138 0 - 4 e 301 223 etot -8.7639E+01 mv 2 85 25 193 0 - 4 e 296 229 etot -7.9041E+01 mv 2 85 22 141 0 - 4 e 320 228 etot -8.6803E+01 mv 2 85 22 -52 0 - 4 e 224 239 etot -8.1731E+01 mv 2 85 119 -63 0 - 4 e 229 238 etot -8.1731E+01 mv 2 85 119 -28 0 - -1 e 1 259 etot 1.3528E+20 mv 2 85 141 -47 0 - 4 e 354 227 etot -8.3650E+01 mv 2 85 22 177 0 - 4 e 349 230 etot -8.4088E+01 mv 2 85 22 -10 0 - 4 e 228 242 etot -7.4722E+01 mv 2 85 32 -8 0 - 4 e 519 197 etot -8.3296E+01 mv 6 85 76 89 0 - 4 e 175 246 etot -8.6134E+01 mv 2 85 98 147 0 - 4 e 210 245 etot -8.6210E+01 mv 2 85 32 81 0 - 4 e 383 232 etot -8.6148E+01 mv 2 85 28 -35 0 - 4 e 250 244 etot -7.0911E+01 mv 2 85 32 -190 0 - 4 e 312 241 etot -7.8505E+01 mv 2 85 32 -175 0 - 4 e 570 217 etot -7.7785E+01 mv 2 85 97 -143 0 - -1 e 1 270 etot 1.3528E+20 mv 2 85 61 167 0 - 4 e 375 240 etot -8.6452E+01 mv 2 85 119 -139 0 - 4 e 474 231 etot -7.9031E+01 mv 2 85 28 -121 0 - -1 e 1 273 etot 1.3528E+20 mv 2 85 33 -34 0 - 4 e 243 252 etot -8.5975E+01 mv 2 85 144 181 0 - 4 e 471 233 etot -8.3100E+01 mv 2 85 28 59 0 - 4 e 237 243 etot -7.9198E+01 mv 2 85 32 94 0 - 4 e 452 237 etot -7.6422E+01 mv 2 85 119 -21 0 - 4 e 137 266 etot -8.6014E+01 mv 2 85 61 100 0 - 4 e 241 257 etot -7.3184E+01 mv 2 85 141 -137 0 - 4 e 243 256 etot -8.5695E+01 mv 2 85 141 142 0 c 141 1.3 0.0 - 4 e 236 258 etot -8.5398E+01 mv 2 85 141 -121 0 - 4 e 151 271 etot -7.5053E+01 mv 2 85 33 -102 0 - 4 e 299 260 etot -8.5695E+01 mv 2 85 141 192 0 - -1 e 1 284 etot 1.3528E+20 mv 2 85 72 54 0 - 4 e 232 269 etot -7.2610E+01 mv 2 85 61 -117 0 - 4 e 277 265 etot -7.1431E+01 mv 2 85 198 39 0 - 4 e 320 263 etot -8.2729E+01 mv 2 85 198 -97 0 - 4 e 394 255 etot -8.0766E+01 mv 2 85 144 26 0 - -1 e 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mv 1 85 97 88 0 - 4 e 212 368 etot -8.3515E+01 mv 1 85 61 -34 0 - 4 e 590 314 etot -7.4260E+01 mv 1 85 174 80 0 - 4 e 323 359 etot -8.4848E+01 mv 1 85 141 2 0 - 4 e 505 350 etot -8.2899E+01 mv 1 85 98 123 0 - 4 e 276 375 etot -8.5779E+01 mv 1 85 33 -29 0 - 4 e 287 374 etot -7.8675E+01 mv 1 85 33 -19 0 - 4 e 321 369 etot -8.0472E+01 mv 1 85 61 39 0 - 4 e 329 367 etot -7.9010E+01 mv 1 85 61 -36 0 - -1 e 1 399 etot 1.3528E+20 mv 1 85 76 -144 0 - 4 e 343 366 etot -8.3466E+01 mv 1 85 61 76 0 - 4 e 323 370 etot -8.5638E+01 mv 1 85 61 -25 0 - 4 e 2 402 etot -8.8207E+01 mv 0 85 101 0 0 - 4 e 25 401 etot -8.4306E+01 mv 0 85 27 0 0 - 4 e 300 378 etot -8.5552E+01 mv 1 85 111 -172 0 - 4 e 291 363 etot -7.2853E+01 mv 1 85 198 44 0 - 4 e 469 361 etot -7.2728E+01 mv 1 85 198 158 0 - 4 e 430 365 etot -8.5579E+01 mv 1 85 198 -172 0 - 4 e 24 407 etot -8.6149E+01 mv 0 85 28 0 0 c 28 0.0 0.0 - 4 e 300 381 etot -8.2103E+01 mv 1 85 72 116 0 - 4 e 253 385 etot -8.5518E+01 mv 1 85 72 -100 0 - 4 e 68 404 etot -8.7211E+01 mv 0 85 97 0 0 c 97 0.2 0.0 - 4 e 24 408 etot -8.6454E+01 mv 0 85 119 0 0 - 4 e 431 372 etot -7.3820E+01 mv 1 85 33 -169 0 - 4 e 14 413 etot -8.5580E+01 mv 0 85 198 0 0 c 198 0.0 0.0 - 4 e 17 414 etot -8.6014E+01 mv 0 85 61 0 0 c 61 0.0 0.0 - 4 e 610 355 etot -8.4325E+01 mv 1 85 144 30 0 - 4 e 31 411 etot -8.5976E+01 mv 0 85 144 0 0 c 144 0.1 0.0 - 4 e 196 388 etot -8.5477E+01 mv 1 85 171 55 0 - 4 e 123 403 etot -8.7411E+01 mv 0 85 174 0 0 c 174 0.7 0.0 -## N0 total= 19 close= 13 far= 0 %acc 68.4 -## N1 total= 101 close= 4 far= 0 %acc 4.0 -## N2 total= 100 close= 5 far= 0 %acc 5.0 -## N3 total= 0 close= 0 far= 0 %acc 0.0 -## N4 total= 0 close= 0 far= 0 %acc 0.0 -## N5 total= 0 close= 0 far= 0 %acc 0.0 -## N6 total= 200 close= 9 far= 0 %acc 4.5 -## N7 total= 0 close= 0 far= 0 %acc 0.0 -## N8 total= 0 close= 0 far= 0 %acc 0.0 -## N9 total= 0 close= 0 far= 0 %acc 0.0 -##N10 total= 0 close= 0 far= 0 %acc 0.0 -##N11 total= 0 close= 0 far= 0 %acc 0.0 -##N12 total= 0 close= 0 far= 0 %acc 0.0 -##N13 total= 0 close= 0 far= 0 %acc 0.0 -##N14 total= 0 close= 0 far= 0 %acc 0.0 -##N15 total= 0 close= 0 far= 0 %acc 0.0 -##N16 total= 0 close= 0 far= 0 %acc 0.0 -##N17 total= 0 close= 0 far= 0 %acc 0.0 -##N18 total= 0 close= 0 far= 0 %acc 0.0 - Time for refresh 86 0.30 - make_var : nseed= 20 ntry= 420 - Time for make trial 87 0.05 -Nonsetup time 168.27 sec, Eval/s = 64973.14 -Time for iter 87 1.70 sec, Eval/s = 70966.02 - UPDATING 420 - 4 e 402 395 etot -8.7765E+01 mv 1 85 34 102 0 - 4 e 89 412 etot -8.5695E+01 mv 0 85 141 0 0 c 141 0.5 0.0 - 4 e 521 386 etot -8.7029E+01 mv 1 85 171 57 0 - 4 e 69 409 etot -8.6211E+01 mv 0 85 32 0 0 c 32 0.2 0.0 - 4 e 422 389 etot -8.5463E+01 mv 1 85 171 93 0 - 4 e 379 397 etot -8.4696E+01 mv 1 85 76 -1 0 - 4 e 338 382 etot -8.4519E+01 mv 1 85 72 -80 0 - 4 e 48 420 etot -8.5875E+01 mv 0 85 76 0 0 - 4 e 362 398 etot -8.4364E+01 mv 1 85 76 5 0 - -1 e 1 1 etot 1.3528E+20 mv 6 86 166 37 0 - 4 e 405 396 etot -8.1938E+01 mv 1 85 76 95 0 - -1 e 1 3 etot 1.3528E+20 mv 6 86 166 51 0 - 4 e 663 394 etot -8.7617E+01 mv 1 85 34 80 0 - 4 e 615 383 etot -7.0457E+01 mv 1 85 72 -143 0 - 4 e 48 417 etot -8.5518E+01 mv 0 85 72 0 0 c 72 0.3 0.0 - 4 e 76 418 etot -8.5477E+01 mv 0 85 171 0 0 c 171 0.3 0.0 - 4 e 46 410 etot -8.6134E+01 mv 0 85 98 0 0 - 4 e 354 384 etot -8.5517E+01 mv 1 85 72 177 0 - 4 e 52 415 etot -8.6229E+01 mv 0 85 33 0 0 c 33 0.1 0.0 - 4 e 649 392 etot -8.7623E+01 mv 1 85 34 72 0 - 4 e 401 377 etot -8.2436E+01 mv 1 85 111 127 0 - 4 e 60 416 etot -8.5553E+01 mv 0 85 111 0 0 - 4 e 129 405 etot -8.7640E+01 mv 0 85 25 0 0 c 25 0.6 0.0 - 4 e 353 390 etot -8.3889E+01 mv 1 85 171 -152 0 - -1 e 1 16 etot 1.3528E+20 mv 6 86 19 80 0 - 4 e 551 400 etot -8.4841E+01 mv 1 85 76 -148 0 - -1 e 1 20 etot 1.3528E+20 mv 6 86 19 168 0 - 4 e 561 419 etot -8.7624E+01 mv 0 85 34 0 0 - 4 e 740 357 etot -8.3612E+01 mv 1 85 141 -103 0 - 4 e 2 10 etot -8.7217E+01 mv 6 86 166 38 0 - 4 e 388 362 etot -7.5766E+01 mv 1 85 198 -22 0 - 9 e 1001 336 etot -5.0962E+01 mv 1 85 119 -51 0 - -1 e 1 24 etot 1.3528E+20 mv 6 86 98 55 0 - 4 e 501 380 etot -8.5550E+01 mv 1 85 111 63 0 - 4 e 536 393 etot -8.7623E+01 mv 1 85 34 56 0 - 4 e 88 406 etot -8.6826E+01 mv 0 85 22 0 0 c 22 0.3 0.0 - 4 e 597 391 etot -8.8872E+01 mv 1 85 34 -103 0 - -1 e 1 31 etot 1.3528E+20 mv 6 86 130 173 0 - 4 e 166 19 etot -8.6120E+01 mv 6 86 19 183 0 c 19 3.7 0.0 - 4 e 188 29 etot -8.3422E+01 mv 6 86 98 113 0 - 4 e 205 15 etot -8.6120E+01 mv 6 86 19 36 0 - 4 e 232 5 etot -8.4742E+01 mv 6 86 166 13 0 - 4 e 242 4 etot -8.5005E+01 mv 6 86 166 56 0 - 4 e 265 6 etot -8.4741E+01 mv 6 86 166 18 0 - 4 e 235 36 etot -7.6865E+01 mv 6 86 130 31 0 - 4 e 235 32 etot -8.5563E+01 mv 6 86 130 19 0 - 4 e 252 37 etot -7.5106E+01 mv 6 86 130 119 0 - 4 e 256 14 etot -8.5584E+01 mv 6 86 19 14 0 - 4 e 293 23 etot -8.6190E+01 mv 6 86 98 152 0 c 98 5.2 0.0 - 4 e 234 26 etot -8.4481E+01 mv 6 86 98 118 0 - 4 e 341 7 etot -8.5663E+01 mv 6 86 166 101 0 - 4 e 280 34 etot -8.2815E+01 mv 6 86 130 169 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99 44 0 - 4 e 567 202 etot -8.2958E+01 mv 2 86 166 -86 0 - 4 e 204 263 etot -8.5211E+01 mv 2 86 143 -157 0 - -1 e 1 283 etot 1.3528E+20 mv 2 86 64 -50 0 - -1 e 1 284 etot 1.3528E+20 mv 2 86 64 -149 0 - 4 e 341 251 etot -8.5229E+01 mv 2 86 95 -85 0 - 4 e 152 271 etot -7.5409E+01 mv 2 86 43 -25 0 - 4 e 378 247 etot -8.0966E+01 mv 2 86 145 -27 0 - 4 e 251 266 etot -8.4940E+01 mv 2 86 57 190 0 - 4 e 197 273 etot -6.9092E+01 mv 2 86 43 -87 0 - 4 e 303 261 etot -8.5211E+01 mv 2 86 143 -60 0 - 4 e 353 259 etot -7.5862E+01 mv 2 86 26 -61 0 - 4 e 648 208 etot -7.9109E+01 mv 2 86 19 -6 0 - 4 e 134 280 etot -6.9900E+01 mv 2 86 159 166 0 - 4 e 358 260 etot -8.6177E+01 mv 2 86 26 136 0 - 4 e 291 255 etot -8.5229E+01 mv 2 86 95 142 0 - 4 e 565 236 etot -7.8827E+01 mv 2 86 70 65 0 - 4 e 445 254 etot -8.5228E+01 mv 2 86 95 78 0 - 4 e 658 232 etot -8.6502E+01 mv 2 86 99 43 0 c 99 50.3 0.4 - 4 e 352 268 etot -8.5209E+01 mv 2 86 57 -152 0 - 4 e 191 285 etot -8.5189E+01 mv 2 86 64 29 0 - 4 e 266 269 etot 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289 etot -7.5905E+01 mv 2 86 56 97 0 - -1 e 1 322 etot 1.3528E+20 mv 1 86 148 -72 0 - 4 e 320 297 etot -7.9109E+01 mv 2 86 14 -94 0 - 4 e 358 294 etot -8.5024E+01 mv 2 86 53 -111 0 c 53 4.6 0.0 - 4 e 219 303 etot -8.5194E+01 mv 1 86 166 129 0 - 4 e 412 290 etot -7.7015E+01 mv 2 86 56 -200 0 - 4 e 354 282 etot -7.4852E+01 mv 2 86 64 112 0 - 4 e 254 307 etot -8.7256E+01 mv 1 86 19 193 0 - 4 e 571 279 etot -7.7542E+01 mv 2 86 159 -197 0 - 4 e 675 274 etot -8.6122E+01 mv 2 86 43 -103 0 c 43 196.2 1.0 - 4 e 234 311 etot -8.6191E+01 mv 1 86 98 111 0 c 98 2.3 0.0 - 4 e 287 308 etot -8.5041E+01 mv 1 86 19 -121 0 - 4 e 230 315 etot -8.6191E+01 mv 1 86 98 -153 0 - 4 e 251 314 etot -8.4481E+01 mv 1 86 98 58 0 - 4 e 218 318 etot -8.3636E+01 mv 1 86 130 44 0 - 4 e 286 312 etot -8.6191E+01 mv 1 86 98 43 0 - 4 e 452 300 etot -7.2332E+01 mv 2 86 14 -84 0 - 4 e 290 313 etot -8.6107E+01 mv 1 86 98 62 0 - 4 e 374 305 etot -8.5194E+01 mv 1 86 166 -90 0 - 4 e 196 326 etot -8.6232E+01 mv 1 86 30 -8 0 - -1 e 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565 309 etot -8.0739E+01 mv 1 86 19 33 0 - 4 e 271 328 etot -8.4689E+01 mv 1 86 30 19 0 - 4 e 288 336 etot -8.5478E+01 mv 1 86 70 162 0 - 4 e 216 347 etot -6.0847E+01 mv 1 86 145 152 0 - 4 e 312 337 etot -7.4016E+01 mv 1 86 70 85 0 - 4 e 277 340 etot -8.5478E+01 mv 1 86 70 -73 0 - -1 e 1 367 etot 1.3528E+20 mv 1 86 57 83 0 - 4 e 234 348 etot -8.5360E+01 mv 1 86 145 6 0 - 4 e 302 339 etot -8.5478E+01 mv 1 86 70 42 0 - 4 e 328 335 etot -8.6114E+01 mv 1 86 99 -18 0 - 4 e 743 301 etot -7.7759E+01 mv 1 86 166 -146 0 - 4 e 286 343 etot -8.3946E+01 mv 1 86 55 -139 0 - 4 e 160 359 etot -7.6986E+01 mv 1 86 26 -29 0 - 4 e 611 293 etot -8.2274E+01 mv 2 86 53 -80 0 - 4 e 459 317 etot -7.7668E+01 mv 1 86 130 186 0 - 4 e 134 365 etot -8.5211E+01 mv 1 86 143 -33 0 - 4 e 325 351 etot -8.5228E+01 mv 1 86 95 72 0 - 4 e 573 302 etot -8.1866E+01 mv 1 86 166 18 0 - 4 e 287 358 etot -8.4783E+01 mv 1 86 26 -58 0 - 4 e 443 338 etot -8.5537E+01 mv 1 86 70 163 0 c 70 36.6 0.1 - 4 e 405 346 etot -8.4621E+01 mv 1 86 145 66 0 - -1 e 1 383 etot 1.3528E+20 mv 1 86 64 -122 0 - 4 e 312 357 etot -8.6177E+01 mv 1 86 26 194 0 - 4 e 262 360 etot -8.6177E+01 mv 1 86 26 77 0 - 4 e 174 373 etot -8.5115E+01 mv 1 86 43 101 0 - 4 e 444 345 etot -8.0119E+01 mv 1 86 55 -186 0 - 4 e 610 330 etot -8.5474E+01 mv 1 86 30 -15 0 - 4 e 202 370 etot -6.4680E+01 mv 1 86 57 -117 0 - 4 e 440 349 etot -7.7480E+01 mv 1 86 145 58 0 - 4 e 242 369 etot -8.5210E+01 mv 1 86 57 83 0 - 4 e 301 363 etot -8.5211E+01 mv 1 86 143 29 0 - 4 e 254 371 etot -8.0722E+01 mv 1 86 43 86 0 - 4 e 307 355 etot -8.5229E+01 mv 1 86 95 -153 0 - 4 e 456 356 etot -8.6192E+01 mv 1 86 26 -176 0 c 26 71.1 0.0 - 4 e 495 354 etot -7.5984E+01 mv 1 86 95 -140 0 - 4 e 327 368 etot -8.4206E+01 mv 1 86 57 -194 0 - 4 e 149 377 etot -6.6275E+01 mv 1 86 159 -42 0 - 4 e 516 353 etot -8.3828E+01 mv 1 86 95 -184 0 - 4 e 301 375 etot -8.5115E+01 mv 1 86 43 -186 0 - 4 e 341 372 etot -8.3881E+01 mv 1 86 43 147 0 - 4 e 319 362 etot -7.5475E+01 mv 1 86 143 -132 0 - 4 e 403 350 etot -8.5353E+01 mv 1 86 145 -146 0 - 4 e 213 376 etot -8.4629E+01 mv 1 86 159 97 0 - 4 e 233 386 etot -7.7444E+01 mv 1 86 56 -16 0 - 4 e 226 388 etot -8.4996E+01 mv 1 86 56 110 0 - 4 e 16 406 etot -8.6232E+01 mv 0 86 30 0 0 c 30 0.0 0.0 - 4 e 210 391 etot -8.4982E+01 mv 1 86 53 -21 0 - 4 e 315 364 etot -8.5210E+01 mv 1 86 143 -52 0 - 4 e 296 382 etot -8.5189E+01 mv 1 86 64 68 0 - 4 e 102 401 etot -8.5195E+01 mv 0 86 166 0 0 - 4 e 30 405 etot -8.7247E+01 mv 0 86 148 0 0 c 148 0.1 0.0 - 4 e 137 396 etot -8.5225E+01 mv 1 86 14 133 0 - 4 e 278 385 etot -8.4872E+01 mv 1 86 64 40 0 - 4 e 27 408 etot -8.5478E+01 mv 0 86 70 0 0 - 4 e 10 410 etot -8.5361E+01 mv 0 86 145 0 0 c 145 0.0 0.0 - 4 e 46 404 etot -8.5563E+01 mv 0 86 130 0 0 c 130 0.2 0.0 - 4 e 338 379 etot -8.3457E+01 mv 1 86 159 151 0 - 4 e 15 416 etot -8.5039E+01 mv 0 86 159 0 0 c 159 0.0 0.0 -## N0 total= 18 close= 12 far= 0 %acc 66.7 -## N1 total= 102 close= 3 far= 0 %acc 2.9 -## N2 total= 100 close= 6 far= 1 %acc 7.0 -## N3 total= 0 close= 0 far= 0 %acc 0.0 -## N4 total= 0 close= 0 far= 0 %acc 0.0 -## N5 total= 0 close= 0 far= 0 %acc 0.0 -## N6 total= 200 close= 12 far= 1 %acc 6.5 -## N7 total= 0 close= 0 far= 0 %acc 0.0 -## N8 total= 0 close= 0 far= 0 %acc 0.0 -## N9 total= 0 close= 0 far= 0 %acc 0.0 -##N10 total= 0 close= 0 far= 0 %acc 0.0 -##N11 total= 0 close= 0 far= 0 %acc 0.0 -##N12 total= 0 close= 0 far= 0 %acc 0.0 -##N13 total= 0 close= 0 far= 0 %acc 0.0 -##N14 total= 0 close= 0 far= 0 %acc 0.0 -##N15 total= 0 close= 0 far= 0 %acc 0.0 -##N16 total= 0 close= 0 far= 0 %acc 0.0 -##N17 total= 0 close= 0 far= 0 %acc 0.0 -##N18 total= 0 close= 0 far= 0 %acc 0.0 - Time for refresh 87 0.41 - make_var : nseed= 20 ntry= 420 - Time for make trial 88 0.07 -Nonsetup time 170.21 sec, Eval/s = 64950.17 -Time for iter 88 1.94 sec, Eval/s = 62959.00 - UPDATING 420 - 4 e 529 387 etot -7.5172E+01 mv 1 86 56 -57 0 - 4 e 113 409 etot -8.5439E+01 mv 0 86 55 0 0 c 55 0.9 0.0 - 4 e 266 394 etot -8.1234E+01 mv 1 86 53 152 0 - 4 e 675 366 etot -8.0390E+01 mv 1 86 57 -36 0 - 4 e 45 414 etot -8.5210E+01 mv 0 86 57 0 0 c 57 0.1 0.0 - 4 e 333 397 etot -8.5224E+01 mv 1 86 14 130 0 - 4 e 23 419 etot -8.4983E+01 mv 0 86 53 0 0 - 4 e 681 384 etot -7.7102E+01 mv 1 86 64 73 0 - 4 e 562 381 etot -8.6043E+01 mv 1 86 64 -53 0 - 4 e 88 411 etot -8.5229E+01 mv 0 86 95 0 0 c 95 0.8 0.0 - 4 e 451 378 etot -8.2036E+01 mv 1 86 159 75 0 - 4 e 95 415 etot -8.5115E+01 mv 0 86 43 0 0 - 4 e 52 412 etot -8.6178E+01 mv 0 86 26 0 0 - 4 e 686 374 etot -7.6932E+01 mv 1 86 43 -76 0 - 4 e 131 407 etot -8.6115E+01 mv 0 86 99 0 0 - 4 e 200 398 etot -8.5225E+01 mv 1 86 14 -146 0 - 4 e 135 402 etot -8.6121E+01 mv 0 86 19 0 0 c 19 1.5 0.0 - 4 e 316 389 etot -6.7316E+01 mv 1 86 56 -87 0 - 4 e 105 420 etot -8.5225E+01 mv 0 86 14 0 0 - 4 e 470 392 etot -8.0011E+01 mv 1 86 53 117 0 - 4 e 379 390 etot -8.4995E+01 mv 1 86 56 -183 0 - -1 e 1 17 etot 1.3528E+20 mv 6 87 104 68 0 - 4 e 218 400 etot -8.4583E+01 mv 1 86 14 19 0 - 4 e 289 393 etot 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-8.5267E+01 mv 1 87 64 -41 0 - 4 e 297 343 etot -8.5519E+01 mv 1 87 137 150 0 - 4 e 188 360 etot -8.5261E+01 mv 1 87 29 140 0 - 4 e 211 358 etot -8.5261E+01 mv 1 87 29 55 0 - 4 e 326 327 etot -8.4995E+01 mv 1 87 56 -7 0 - 4 e 334 347 etot -7.5350E+01 mv 1 87 45 9 0 - 4 e 160 372 etot -6.9998E+01 mv 1 87 149 50 0 - 4 e 298 354 etot -8.4246E+01 mv 1 87 64 61 0 - -1 e 1 381 etot 1.3528E+20 mv 1 87 181 -147 0 - 4 e 268 359 etot -8.5260E+01 mv 1 87 29 44 0 - 4 e 255 348 etot -8.5692E+01 mv 1 87 45 60 0 - 4 e 406 340 etot -7.4953E+01 mv 1 87 118 -151 0 - 4 e 200 356 etot -8.5261E+01 mv 1 87 29 109 0 - 4 e 189 361 etot -8.5937E+01 mv 1 87 21 20 0 - 4 e 285 342 etot -7.2320E+01 mv 1 87 137 -144 0 - 4 e 603 324 etot -7.8823E+01 mv 1 87 131 -197 0 - 4 e 285 357 etot -8.4065E+01 mv 1 87 29 -33 0 - 4 e 227 371 etot -7.9153E+01 mv 1 87 149 -1 0 - 4 e 297 363 etot -8.0463E+01 mv 1 87 21 128 0 - 4 e 274 366 etot -8.2433E+01 mv 1 87 102 40 0 - 4 e 399 352 etot -7.6987E+01 mv 1 87 64 -93 0 - -1 e 1 394 etot 1.3528E+20 mv 1 87 7 -3 0 - 4 e 274 367 etot -8.5239E+01 mv 1 87 102 43 0 - 4 e 226 373 etot -8.4160E+01 mv 1 87 149 -103 0 - 4 e 222 376 etot -8.5024E+01 mv 1 87 53 71 0 - 8 e 164 379 etot -6.3993E+01 mv 1 87 53 -82 0 - 4 e 342 369 etot -8.5091E+01 mv 1 87 102 -58 0 - 4 e 224 377 etot -7.8856E+01 mv 1 87 53 186 0 - 4 e 549 349 etot -8.0153E+01 mv 1 87 45 -43 0 - 4 e 178 378 etot -8.5025E+01 mv 1 87 53 196 0 - 4 e 20 402 etot -9.2543E+01 mv 0 87 104 0 0 c 104 0.0 0.0 - 4 e 271 390 etot -8.4806E+01 mv 1 87 65 -30 0 - 4 e 411 375 etot -8.5675E+01 mv 1 87 149 142 0 - 4 e 291 395 etot -8.3730E+01 mv 1 87 7 -15 0 - 4 e 86 404 etot -8.5597E+01 mv 0 87 72 0 0 c 72 0.3 0.0 - 4 e 446 374 etot -8.2489E+01 mv 1 87 149 45 0 - 4 e 585 355 etot -6.1921E+01 mv 1 87 64 -31 0 - 4 e 254 396 etot -8.4917E+01 mv 1 87 115 73 0 - 4 e 311 380 etot -7.7429E+01 mv 1 87 53 38 0 - 4 e 564 365 etot -8.5935E+01 mv 1 87 21 148 0 - 4 e 286 383 etot -8.3626E+01 mv 1 87 181 -147 0 - 4 e 328 391 etot -7.5844E+01 mv 1 87 7 -102 0 - 4 e 224 385 etot -8.4710E+01 mv 1 87 181 -93 0 - 4 e 244 393 etot -8.4931E+01 mv 1 87 7 64 0 - 4 e 290 382 etot -8.5060E+01 mv 1 87 181 -180 0 - 4 e 120 401 etot -8.4675E+01 mv 0 87 169 0 0 c 169 0.6 0.0 - 4 e 477 370 etot -7.3628E+01 mv 1 87 102 54 0 -## N0 total= 16 close= 9 far= 0 %acc 56.2 -## N1 total= 104 close= 2 far= 0 %acc 1.9 -## N2 total= 100 close= 10 far= 0 %acc 10.0 -## N3 total= 0 close= 0 far= 0 %acc 0.0 -## N4 total= 0 close= 0 far= 0 %acc 0.0 -## N5 total= 0 close= 0 far= 0 %acc 0.0 -## N6 total= 200 close= 10 far= 0 %acc 5.0 -## N7 total= 0 close= 0 far= 0 %acc 0.0 -## N8 total= 0 close= 0 far= 0 %acc 0.0 -## N9 total= 0 close= 0 far= 0 %acc 0.0 -##N10 total= 0 close= 0 far= 0 %acc 0.0 -##N11 total= 0 close= 0 far= 0 %acc 0.0 -##N12 total= 0 close= 0 far= 0 %acc 0.0 -##N13 total= 0 close= 0 far= 0 %acc 0.0 -##N14 total= 0 close= 0 far= 0 %acc 0.0 -##N15 total= 0 close= 0 far= 0 %acc 0.0 -##N16 total= 0 close= 0 far= 0 %acc 0.0 -##N17 total= 0 close= 0 far= 0 %acc 0.0 -##N18 total= 0 close= 0 far= 0 %acc 0.0 - Time for refresh 88 0.34 - make_var : nseed= 20 ntry= 420 - Time for make trial 89 0.05 -Nonsetup time 172.04 sec, Eval/s = 64967.26 -Time for iter 89 1.82 sec, Eval/s = 66565.49 - UPDATING 420 - 4 e 16 405 etot -8.5576E+01 mv 0 87 131 0 0 c 131 0.0 0.0 - 4 e 97 406 etot -8.5432E+01 mv 0 87 56 0 0 c 56 0.6 0.0 - 4 e 161 407 etot -8.5539E+01 mv 0 87 70 0 0 c 70 0.8 0.0 - 4 e 93 408 etot -8.5319E+01 mv 0 87 118 0 0 c 118 0.7 0.0 - 4 e 402 399 etot -7.0045E+01 mv 1 87 115 184 0 - 4 e 129 409 etot -8.5520E+01 mv 0 87 137 0 0 c 137 1.8 0.0 - 4 e 611 392 etot -8.5071E+01 mv 1 87 7 -167 0 - 4 e 30 410 etot -8.5692E+01 mv 0 87 45 0 0 c 45 0.1 0.0 - 4 e 126 411 etot -8.5267E+01 mv 0 87 64 0 0 c 64 1.3 0.0 - 4 e 311 400 etot -8.4916E+01 mv 1 87 115 17 0 - 4 e 53 412 etot -8.5262E+01 mv 0 87 29 0 0 - 4 e 80 413 etot -8.5937E+01 mv 0 87 21 0 0 c 21 0.6 0.0 - 4 e 63 414 etot -8.5239E+01 mv 0 87 102 0 0 c 102 0.2 0.0 - 4 e 20 415 etot -8.5677E+01 mv 0 87 149 0 0 c 149 0.0 0.0 - 4 e 415 397 etot -8.3618E+01 mv 1 87 115 -107 0 - 4 e 90 416 etot -8.5025E+01 mv 0 87 53 0 0 c 53 0.8 0.0 - 4 e 515 389 etot -6.2728E+01 mv 1 87 65 -184 0 - 4 e 10 417 etot -8.5060E+01 mv 0 87 181 0 0 c 181 0.0 0.0 - 4 e 585 398 etot -7.3891E+01 mv 1 87 115 -166 0 - 4 e 18 418 etot -8.4942E+01 mv 0 87 65 0 0 c 65 0.0 0.0 - 4 e 14 419 etot -8.4932E+01 mv 0 87 7 0 0 - 4 e 12 420 etot -8.4917E+01 mv 0 87 115 0 0 c 115 0.0 0.0 - 4 e 667 362 etot -7.4105E+01 mv 1 87 21 89 0 - 4 e 591 387 etot -8.4677E+01 mv 1 87 65 -75 0 - 4 e 491 351 etot -8.5266E+01 mv 1 87 64 -72 0 - -1 e 1 20 etot 1.3528E+20 mv 6 88 59 99 0 - 4 e 421 368 etot -8.5238E+01 mv 1 87 102 -133 0 - 4 e 249 384 etot -7.7966E+01 mv 1 87 181 -99 0 - 4 e 261 386 etot -8.4942E+01 mv 1 87 65 -126 0 - 4 e 569 388 etot -6.8728E+01 mv 1 87 65 171 0 - 4 e 148 403 etot -8.6125E+01 mv 0 87 43 0 0 - 4 e 657 335 etot -7.1110E+01 mv 1 87 70 -118 0 - 4 e 122 27 etot -6.7946E+01 mv 6 88 189 69 0 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351 8 etot -7.1147E+01 mv 6 88 188 110 0 - 4 e 350 11 etot -8.9864E+01 mv 6 88 59 153 0 - 4 e 405 29 etot -6.9022E+01 mv 6 88 189 117 0 - 4 e 418 2 etot -8.4105E+01 mv 6 88 188 111 0 - 4 e 412 23 etot -8.3228E+01 mv 6 88 189 23 0 - 4 e 483 4 etot -8.0820E+01 mv 6 88 188 62 0 - 4 e 421 3 etot -8.0493E+01 mv 6 88 188 165 0 - 4 e 426 22 etot -7.9523E+01 mv 6 88 189 188 0 - 4 e 188 45 etot -7.3688E+01 mv 6 88 154 30 0 - 4 e 239 43 etot -8.5409E+01 mv 6 88 154 89 0 c 154 2.6 0.0 - 4 e 289 44 etot -7.5473E+01 mv 6 88 154 88 0 - 4 e 453 16 etot -7.9024E+01 mv 6 88 59 173 0 - 4 e 497 31 etot -7.7687E+01 mv 6 88 29 165 0 - 4 e 495 21 etot -7.8497E+01 mv 6 88 189 182 0 - 4 e 428 34 etot -8.5740E+01 mv 6 88 29 51 0 c 29 4.2 0.0 - 4 e 359 35 etot -8.5741E+01 mv 6 88 29 127 0 c 29 1.6 0.0 - 4 e 11 68 etot -8.8110E+01 mv 6 88 129 103 0 c 103 0.0 0.0 - -1 e 1 71 etot 1.3528E+20 mv 6 88 123 161 0 - 4 e 255 50 etot -7.7576E+01 mv 6 88 154 83 0 - 4 e 389 46 etot -8.5550E+01 mv 6 88 154 168 0 c 154 142.6 0.1 - 4 e 258 56 etot -8.2760E+01 mv 6 88 50 177 0 - 4 e 329 49 etot -8.0659E+01 mv 6 88 154 179 0 - 4 e 225 53 etot -8.5111E+01 mv 6 88 50 32 0 - 4 e 309 55 etot -7.2479E+01 mv 6 88 50 200 0 - 4 e 152 62 etot -6.4351E+01 mv 6 88 129 176 0 - 4 e 269 52 etot -7.8985E+01 mv 6 88 50 163 0 - 4 e 282 51 etot -7.5278E+01 mv 6 88 50 149 0 - 4 e 110 73 etot -7.3700E+01 mv 6 88 123 105 0 - 4 e 451 37 etot -8.6812E+01 mv 6 88 29 109 0 - -1 e 1 83 etot 1.3528E+20 mv 6 88 77 112 0 - 4 e 207 58 etot -8.0628E+01 mv 6 88 50 52 0 - 4 e 568 41 etot -8.4297E+01 mv 6 88 154 18 0 - 4 e 321 60 etot -8.3854E+01 mv 6 88 50 160 0 - 4 e 270 66 etot -8.4981E+01 mv 6 88 129 4 0 - 4 e 367 42 etot -6.9875E+01 mv 6 88 154 91 0 - 4 e 229 59 etot -8.5111E+01 mv 6 88 50 35 0 - 4 e 301 64 etot -7.9535E+01 mv 6 88 129 147 0 - 4 e 231 69 etot -7.5606E+01 mv 6 88 129 74 0 - 4 e 542 33 etot -7.9759E+01 mv 6 88 29 123 0 - -1 e 1 93 etot 1.3528E+20 mv 6 88 172 184 0 - 4 e 358 54 etot -8.5111E+01 mv 6 88 50 94 0 - 4 e 218 75 etot -7.4903E+01 mv 6 88 123 93 0 - 4 e 432 47 etot -7.8288E+01 mv 6 88 154 72 0 - -1 e 1 97 etot 1.3528E+20 mv 6 88 172 32 0 - 4 e 259 70 etot -7.2361E+01 mv 6 88 129 85 0 - 4 e 242 72 etot -6.8873E+01 mv 6 88 123 32 0 - 4 e 525 38 etot -8.3337E+01 mv 6 88 29 194 0 - 4 e 381 57 etot -8.0923E+01 mv 6 88 50 84 0 - 4 e 343 74 etot -6.9775E+01 mv 6 88 123 192 0 - 4 e 236 77 etot -7.0182E+01 mv 6 88 123 85 0 - 4 e 286 78 etot -8.2784E+01 mv 6 88 123 40 0 - 4 e 529 39 etot -7.2339E+01 mv 6 88 29 39 0 - 4 e 649 48 etot -8.5693E+01 mv 6 88 154 76 0 c 154 159.3 0.1 - 4 e 223 87 etot -7.5170E+01 mv 6 88 77 185 0 - 4 e 247 81 etot -8.4904E+01 mv 6 88 77 27 0 c 77 4.1 0.0 - 4 e 211 92 etot -7.4517E+01 mv 6 88 172 86 0 - 4 e 246 88 etot -7.3461E+01 mv 6 88 77 181 0 - 4 e 271 79 etot -8.3178E+01 mv 6 88 123 132 0 - -1 e 1 112 etot 2.4490E+33 mv 6 88 62 187 0 - 4 e 348 63 etot -8.5690E+01 mv 6 88 129 157 0 - 4 e 330 82 etot -8.3209E+01 mv 6 88 77 95 0 - 4 e 196 95 etot -7.0284E+01 mv 6 88 172 57 0 - 4 e 360 67 etot -8.4980E+01 mv 6 88 129 93 0 - -1 e 1 117 etot 1.3528E+20 mv 6 88 62 106 0 - -1 e 1 118 etot 1.3528E+20 mv 6 88 62 92 0 - 4 e 591 65 etot -8.4659E+01 mv 6 88 129 124 0 - 4 e 306 89 etot -7.2690E+01 mv 6 88 77 108 0 - 4 e 294 90 etot -7.8464E+01 mv 6 88 77 93 0 - 4 e 402 85 etot -8.4155E+01 mv 6 88 77 147 0 - 4 e 218 94 etot -8.4814E+01 mv 6 88 172 199 0 - 4 e 235 100 etot -8.7603E+01 mv 6 88 172 183 0 - 4 e 250 99 etot -8.4813E+01 mv 6 88 172 143 0 - 4 e 641 61 etot -7.2606E+01 mv 6 88 129 12 0 - -1 e 1 127 etot 1.3528E+20 mv 6 88 121 155 0 - 4 e 388 91 etot -8.1614E+01 mv 6 88 172 119 0 - 4 e 194 110 etot -8.4702E+01 mv 6 88 78 102 0 - 4 e 492 84 etot -8.4902E+01 mv 6 88 77 107 0 - -1 e 1 131 etot 1.3528E+20 mv 6 88 16 155 0 - 4 e 387 96 etot -7.8777E+01 mv 6 88 172 178 0 - 4 e 490 86 etot -8.3543E+01 mv 6 88 77 48 0 - 4 e 213 116 etot -6.7420E+01 mv 6 88 62 108 0 - -1 e 1 135 etot 1.3528E+20 mv 6 88 16 173 0 - -1 e 1 136 etot 1.3528E+20 mv 6 88 16 61 0 - 4 e 359 103 etot -7.5243E+01 mv 6 88 78 136 0 - 4 e 316 109 etot -8.0788E+01 mv 6 88 78 130 0 - -1 e 1 139 etot 1.3528E+20 mv 6 88 16 1 0 - 4 e 327 98 etot -7.3390E+01 mv 6 88 172 27 0 - 4 e 316 115 etot -7.1225E+01 mv 6 88 62 82 0 - 4 e 699 76 etot -7.8554E+01 mv 6 88 123 165 0 - 4 e 199 114 etot -8.4573E+01 mv 6 88 62 33 0 - 4 e 370 113 etot -8.5901E+01 mv 6 88 62 5 0 - 4 e 425 105 etot -8.4772E+01 mv 6 88 78 115 0 - 4 e 227 125 etot -8.4551E+01 mv 6 88 121 164 0 c 121 4.8 0.0 - 4 e 379 111 etot -8.2944E+01 mv 6 88 62 50 0 - -1 e 1 148 etot 1.3528E+20 mv 6 88 15 142 0 - 4 e 421 107 etot -8.4857E+01 mv 6 88 78 125 0 - 4 e 448 104 etot -8.1556E+01 mv 6 88 78 39 0 - 4 e 414 108 etot -7.9207E+01 mv 6 88 78 25 0 - -1 e 1 152 etot 1.3528E+20 mv 6 88 193 53 0 - -1 e 1 153 etot 1.3528E+20 mv 6 88 193 175 0 - 4 e 137 140 etot -8.3949E+01 mv 6 88 16 60 0 c 60 1.6 0.0 - 4 e 297 106 etot -8.1231E+01 mv 6 88 78 4 0 - 4 e 370 120 etot -8.2944E+01 mv 6 88 62 18 0 - 4 e 319 123 etot -7.2998E+01 mv 6 88 121 184 0 - 4 e 246 133 etot -8.4523E+01 mv 6 88 16 148 0 - 4 e 409 122 etot -7.9232E+01 mv 6 88 121 71 0 - 4 e 330 129 etot -7.9053E+01 mv 6 88 121 37 0 - 4 e 385 101 etot -7.1523E+01 mv 6 88 78 140 0 - 4 e 467 121 etot -8.3746E+01 mv 6 88 121 63 0 - 4 e 207 143 etot -7.1857E+01 mv 6 88 15 161 0 - 4 e 627 80 etot -7.6188E+01 mv 6 88 123 134 0 - 4 e 245 142 etot -7.2016E+01 mv 6 88 15 111 0 - 4 e 460 102 etot -6.8737E+01 mv 6 88 78 97 0 - 4 e 216 145 etot -7.9630E+01 mv 6 88 15 121 0 - 4 e 374 134 etot -8.1521E+01 mv 6 88 16 118 0 - 4 e 472 128 etot -7.8332E+01 mv 6 88 121 189 0 - 4 e 255 146 etot -8.4472E+01 mv 6 88 15 47 0 - 4 e 350 138 etot -7.7091E+01 mv 6 88 16 87 0 - 4 e 207 158 etot -6.9055E+01 mv 6 88 193 2 0 - 4 e 319 124 etot -8.3747E+01 mv 6 88 121 136 0 - 4 e 298 149 etot -6.6904E+01 mv 6 88 15 139 0 - -1 e 1 175 etot 1.3528E+20 mv 6 88 71 4 0 - 4 e 515 126 etot -8.1058E+01 mv 6 88 121 82 0 - 4 e 447 119 etot -7.9741E+01 mv 6 88 62 143 0 - 4 e 448 132 etot -8.2878E+01 mv 6 88 16 151 0 - 4 e 506 130 etot -7.6958E+01 mv 6 88 121 152 0 - 4 e 158 164 etot -8.0662E+01 mv 6 88 83 171 0 - 4 e 378 147 etot -7.8584E+01 mv 6 88 15 139 0 - 4 e 385 150 etot -8.0000E+01 mv 6 88 15 87 0 - 4 e 329 155 etot -9.0648E+01 mv 6 88 193 67 0 - 4 e 138 171 etot -7.2939E+01 mv 6 88 71 46 0 - 4 e 361 154 etot -7.9866E+01 mv 6 88 193 140 0 - 4 e 167 169 etot -6.5039E+01 mv 6 88 83 59 0 - 4 e 266 144 etot -8.1386E+01 mv 6 88 15 46 0 - 4 e 367 157 etot -7.9009E+01 mv 6 88 193 160 0 - 4 e 187 162 etot -8.5091E+01 mv 6 88 83 139 0 - 4 e 366 159 etot -8.0639E+01 mv 6 88 193 28 0 - 4 e 185 165 etot -7.5367E+01 mv 6 88 83 183 0 - 4 e 357 160 etot -8.6492E+01 mv 6 88 193 6 0 - 4 e 308 163 etot -8.3223E+01 mv 6 88 83 138 0 - -1 e 1 194 etot 6.2472E+24 mv 6 88 66 61 0 - 4 e 263 168 etot -8.1836E+01 mv 6 88 83 80 0 - 4 e 629 137 etot -8.6440E+01 mv 6 88 16 38 0 c 16 274.1 1.9 - 4 e 238 172 etot -8.3374E+01 mv 6 88 71 173 0 - 4 e 237 173 etot -8.4208E+01 mv 6 88 71 15 0 - 4 e 389 141 etot 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etot -8.3771E+01 mv 1 88 77 -96 0 - 4 e 274 338 etot -8.5261E+01 mv 1 88 123 40 0 c 123 3.3 0.0 - 4 e 173 346 etot -8.4814E+01 mv 1 88 172 -83 0 - 4 e 341 322 etot -7.1185E+01 mv 1 88 154 -125 0 - 4 e 126 355 etot -6.7980E+01 mv 1 88 78 99 0 - 4 e 551 317 etot -7.5832E+01 mv 1 88 29 122 0 - 4 e 139 353 etot -6.2577E+01 mv 1 88 78 -23 0 - 4 e 344 337 etot -7.9105E+01 mv 1 88 123 149 0 - 4 e 537 300 etot -8.0989E+01 mv 2 88 66 10 0 - 4 e 212 349 etot -8.4814E+01 mv 1 88 172 185 0 - 4 e 221 351 etot -8.4702E+01 mv 1 88 78 69 0 - 4 e 445 331 etot -8.2030E+01 mv 1 88 129 -79 0 - 4 e 145 362 etot -6.2302E+01 mv 1 88 121 122 0 - 4 e 192 352 etot -8.4702E+01 mv 1 88 78 -53 0 - 4 e 145 361 etot -8.4551E+01 mv 1 88 121 -180 0 - 4 e 332 342 etot -8.4904E+01 mv 1 88 77 92 0 c 77 2.3 0.0 - 4 e 259 350 etot -8.4814E+01 mv 1 88 172 -158 0 - 4 e 403 339 etot -7.3680E+01 mv 1 88 123 -106 0 - 4 e 394 340 etot -8.5254E+01 mv 1 88 123 -109 0 - 4 e 526 329 etot -8.5108E+01 mv 1 88 50 155 0 - 4 e 212 364 etot -8.3113E+01 mv 1 88 121 42 0 - 4 e 273 360 etot -7.1199E+01 mv 1 88 62 56 0 - 4 e 433 343 etot -8.4904E+01 mv 1 88 77 35 0 - 4 e 160 373 etot -8.4472E+01 mv 1 88 15 -28 0 - 4 e 236 365 etot -8.4551E+01 mv 1 88 121 185 0 - 4 e 303 347 etot -8.4470E+01 mv 1 88 172 184 0 - 4 e 181 374 etot -8.4472E+01 mv 1 88 15 63 0 - 4 e 203 363 etot -8.4551E+01 mv 1 88 121 -153 0 - 4 e 138 383 etot -7.1588E+01 mv 1 88 83 -166 0 - 4 e 318 345 etot -8.4903E+01 mv 1 88 77 -37 0 - 4 e 152 381 etot -8.5091E+01 mv 1 88 83 98 0 - 4 e 238 378 etot -8.7921E+01 mv 1 88 193 90 0 - 4 e 248 376 etot -8.7921E+01 mv 1 88 193 151 0 - 4 e 499 348 etot -8.4813E+01 mv 1 88 172 -158 0 - 4 e 488 334 etot -8.2604E+01 mv 1 88 129 -83 0 - 4 e 447 356 etot -7.3570E+01 mv 1 88 62 161 0 - 4 e 280 379 etot -7.7738E+01 mv 1 88 193 55 0 - 4 e 347 369 etot -8.0542E+01 mv 1 88 16 62 0 - 4 e 398 366 etot -7.0402E+01 mv 1 88 16 102 0 - 4 e 353 371 etot -8.1194E+01 mv 1 88 15 175 0 - 4 e 616 344 etot -8.4771E+01 mv 1 88 77 47 0 - 4 e 199 385 etot -8.5091E+01 mv 1 88 83 185 0 - 4 e 174 388 etot -8.3359E+01 mv 1 88 71 -90 0 - 4 e 10 406 etot -8.5111E+01 mv 0 88 50 0 0 c 50 0.0 0.0 - 4 e 234 384 etot -8.2361E+01 mv 1 88 83 34 0 - 4 e 403 368 etot -8.4522E+01 mv 1 88 16 177 0 - 4 e 352 377 etot -8.6262E+01 mv 1 88 193 179 0 - 4 e 68 401 etot -8.4107E+01 mv 0 88 188 0 0 c 188 0.1 0.0 - 4 e 43 407 etot -8.4982E+01 mv 0 88 129 0 0 c 129 0.4 0.0 - 4 e 371 358 etot -8.0048E+01 mv 1 88 62 2 0 - 4 e 140 391 etot -8.4781E+01 mv 1 88 63 139 0 c 63 1.1 0.0 - 4 e 41 410 etot -8.4814E+01 mv 0 88 172 0 0 c 172 0.1 0.0 - 4 e 10 415 etot -8.4472E+01 mv 0 88 15 0 0 c 15 0.0 0.0 - 4 e 96 403 etot -8.8026E+01 mv 0 88 189 0 0 c 189 1.4 0.0 - 4 e 49 411 etot -8.4702E+01 mv 0 88 78 0 0 c 78 0.1 0.0 - 4 e 2 418 etot -8.4825E+01 mv 0 88 71 0 0 - 4 e 18 414 etot -8.4523E+01 mv 0 88 16 0 0 -## N0 total= 26 close= 21 far= 0 %acc 80.8 -## N1 total= 94 close= 3 far= 0 %acc 3.2 -## N2 total= 100 close= 7 far= 0 %acc 7.0 -## N3 total= 0 close= 0 far= 0 %acc 0.0 -## N4 total= 0 close= 0 far= 0 %acc 0.0 -## N5 total= 0 close= 0 far= 0 %acc 0.0 -## N6 total= 200 close= 12 far= 0 %acc 6.0 -## N7 total= 0 close= 0 far= 0 %acc 0.0 -## N8 total= 0 close= 0 far= 0 %acc 0.0 -## N9 total= 0 close= 0 far= 0 %acc 0.0 -##N10 total= 0 close= 0 far= 0 %acc 0.0 -##N11 total= 0 close= 0 far= 0 %acc 0.0 -##N12 total= 0 close= 0 far= 0 %acc 0.0 -##N13 total= 0 close= 0 far= 0 %acc 0.0 -##N14 total= 0 close= 0 far= 0 %acc 0.0 -##N15 total= 0 close= 0 far= 0 %acc 0.0 -##N16 total= 0 close= 0 far= 0 %acc 0.0 -##N17 total= 0 close= 0 far= 0 %acc 0.0 -##N18 total= 0 close= 0 far= 0 %acc 0.0 - Time for refresh 89 0.29 - make_var : nseed= 20 ntry= 420 - Time for make trial 90 0.15 -Nonsetup time 173.91 sec, Eval/s = 64974.45 -Time for iter 90 1.88 sec, Eval/s = 65632.33 - UPDATING 420 - 4 e 18 416 etot -8.7921E+01 mv 0 88 193 0 0 c 193 0.0 0.0 - 4 e 518 387 etot -7.6680E+01 mv 1 88 71 29 0 - 4 e 128 405 etot -8.5410E+01 mv 0 88 154 0 0 - 4 e 571 399 etot -7.8793E+01 mv 1 88 66 -28 0 - 4 e 549 380 etot -8.7497E+01 mv 1 88 193 -134 0 - 4 e 645 370 etot -8.6439E+01 mv 1 88 16 -41 0 - 4 e 595 396 etot -7.9087E+01 mv 1 88 66 197 0 - 4 e 325 390 etot -7.4401E+01 mv 1 88 71 -153 0 - 4 e 9 417 etot -8.5091E+01 mv 0 88 83 0 0 c 83 0.0 0.0 - 4 e 384 382 etot -7.3975E+01 mv 1 88 83 -32 0 - 4 e 118 402 etot -8.8270E+01 mv 0 88 59 0 0 c 59 1.8 0.0 - 4 e 297 394 etot -8.2282E+01 mv 1 88 63 119 0 - 4 e 61 412 etot -8.4574E+01 mv 0 88 62 0 0 c 62 0.2 0.0 - 4 e 168 404 etot -8.5743E+01 mv 0 88 29 0 0 - 4 e 643 375 etot -8.1771E+01 mv 1 88 15 -166 0 - 4 e 126 409 etot -8.4904E+01 mv 0 88 77 0 0 c 77 0.9 0.0 - 4 e 570 400 etot -7.8219E+01 mv 1 88 66 6 0 - 4 e 498 386 etot -8.4822E+01 mv 1 88 71 101 0 - 4 e 229 397 etot -7.7176E+01 mv 1 88 66 133 0 - 4 e 249 392 etot -8.4780E+01 mv 1 88 63 183 0 - 4 e 331 395 etot -8.4780E+01 mv 1 88 63 -61 0 - -1 e 1 12 etot 1.3528E+20 mv 6 89 103 67 0 - -1 e 1 13 etot 1.3528E+20 mv 6 89 103 27 0 - 4 e 83 419 etot 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mv 6 89 110 11 0 - -1 e 1 43 etot 1.3528E+20 mv 6 89 96 187 0 - 4 e 303 20 etot -7.2374E+01 mv 6 89 103 83 0 - 4 e 340 7 etot -8.2981E+01 mv 6 89 110 193 0 - 4 e 284 27 etot -7.9285E+01 mv 6 89 43 146 0 - 4 e 113 39 etot -6.5581E+01 mv 6 89 16 118 0 - 4 e 333 18 etot -8.1016E+01 mv 6 89 103 185 0 - 4 e 388 5 etot -8.2829E+01 mv 6 89 110 44 0 - 4 e 340 17 etot -8.7064E+01 mv 6 89 103 192 0 - 4 e 350 32 etot -8.0581E+01 mv 6 89 16 78 0 - -1 e 1 53 etot 1.3528E+20 mv 6 89 154 37 0 - 4 e 357 14 etot -7.4958E+01 mv 6 89 103 54 0 - 4 e 351 3 etot -8.2554E+01 mv 6 89 110 100 0 - 4 e 364 10 etot -8.0095E+01 mv 6 89 110 38 0 - 4 e 343 36 etot -8.2370E+01 mv 6 89 16 169 0 - 4 e 448 4 etot -7.9045E+01 mv 6 89 110 72 0 - 4 e 399 30 etot -8.4286E+01 mv 6 89 43 129 0 - 4 e 485 6 etot -8.3367E+01 mv 6 89 110 132 0 - 4 e 134 44 etot -6.3045E+01 mv 6 89 96 70 0 - -1 e 1 62 etot 1.3528E+20 mv 6 89 136 173 0 - 4 e 220 26 etot -7.9544E+01 mv 6 89 43 75 0 - 8 e 27 61 etot -6.3988E+01 mv 6 89 136 189 0 - 4 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-8.8203E+01 mv 0 89 103 0 0 c 103 0.6 0.0 - 4 e 19 410 etot -8.4358E+01 mv 0 89 138 0 0 - 4 e 21 414 etot -8.4340E+01 mv 0 89 146 0 0 c 146 0.0 0.0 - 4 e 38 409 etot -8.4358E+01 mv 0 89 177 0 0 c 177 0.1 0.0 - 4 e 31 412 etot -8.4725E+01 mv 0 89 191 0 0 c 191 0.0 0.0 - 4 e 300 386 etot -8.4216E+01 mv 1 89 89 33 0 c 89 3.5 0.0 -## N0 total= 19 close= 15 far= 0 %acc 78.9 -## N1 total= 101 close= 3 far= 0 %acc 3.0 -## N2 total= 100 close= 5 far= 0 %acc 5.0 -## N3 total= 0 close= 0 far= 0 %acc 0.0 -## N4 total= 0 close= 0 far= 0 %acc 0.0 -## N5 total= 0 close= 0 far= 0 %acc 0.0 -## N6 total= 200 close= 8 far= 2 %acc 5.0 -## N7 total= 0 close= 0 far= 0 %acc 0.0 -## N8 total= 0 close= 0 far= 0 %acc 0.0 -## N9 total= 0 close= 0 far= 0 %acc 0.0 -##N10 total= 0 close= 0 far= 0 %acc 0.0 -##N11 total= 0 close= 0 far= 0 %acc 0.0 -##N12 total= 0 close= 0 far= 0 %acc 0.0 -##N13 total= 0 close= 0 far= 0 %acc 0.0 -##N14 total= 0 close= 0 far= 0 %acc 0.0 -##N15 total= 0 close= 0 far= 0 %acc 0.0 -##N16 total= 0 close= 0 far= 0 %acc 0.0 -##N17 total= 0 close= 0 far= 0 %acc 0.0 -##N18 total= 0 close= 0 far= 0 %acc 0.0 - Time for refresh 90 0.28 - make_var : nseed= 20 ntry= 420 - Time for make trial 91 0.06 -Nonsetup time 175.60 sec, Eval/s = 65007.78 -Time for iter 91 1.68 sec, Eval/s = 68451.19 - UPDATING 420 - 4 e 281 390 etot -6.5716E+01 mv 1 89 89 -143 0 - 4 e 680 364 etot -7.0344E+01 mv 1 89 99 -28 0 - 4 e 352 387 etot -8.4898E+01 mv 1 89 89 153 0 c 89 259.6 0.7 - 4 e 147 406 etot -8.5874E+01 mv 0 89 154 0 0 c 154 0.9 0.0 - 4 e 66 417 etot -8.4240E+01 mv 0 89 127 0 0 c 127 0.3 0.0 - 4 e 75 416 etot -8.4291E+01 mv 0 89 178 0 0 c 178 0.2 0.0 - 4 e 258 396 etot -8.4718E+01 mv 1 89 94 83 0 - 4 e 271 391 etot -8.4521E+01 mv 1 89 18 -31 0 - 4 e 384 388 etot -8.5507E+01 mv 1 89 89 157 0 - 4 e 48 415 etot -8.4302E+01 mv 0 89 158 0 0 c 158 0.1 0.0 - 4 e 333 383 etot -8.2399E+01 mv 1 89 127 153 0 - 4 e 433 393 etot -8.4518E+01 mv 1 89 18 -60 0 - 4 e 378 411 etot -8.7490E+01 mv 0 89 119 0 0 - 4 e 510 400 etot -7.2880E+01 mv 1 89 94 -181 0 - -1 e 1 4 etot 1.8313E+21 mv 6 90 11 1 0 - 4 e 99 418 etot -8.4216E+01 mv 0 89 89 0 0 - 4 e 53 419 etot -8.4521E+01 mv 0 89 18 0 0 c 18 0.3 0.0 - 4 e 327 389 etot -6.8428E+01 mv 1 89 89 -30 0 - 4 e 126 404 etot -8.6442E+01 mv 0 89 16 0 0 c 16 1.3 0.0 - 4 e 378 385 etot -6.8313E+01 mv 1 89 127 -143 0 - -1 e 1 14 etot 1.3528E+20 mv 6 90 119 80 0 - 4 e 119 413 etot -8.6504E+01 mv 0 89 99 0 0 c 99 1.3 0.0 - 4 e 568 392 etot -8.0811E+01 mv 1 89 18 26 0 - 4 e 2 420 etot -8.4718E+01 mv 0 89 94 0 0 - 4 e 269 397 etot -8.3945E+01 mv 1 89 94 33 0 - -1 e 1 16 etot 1.3528E+20 mv 6 90 119 89 0 - 4 e 185 405 etot -8.9316E+01 mv 0 89 96 0 0 c 96 1.2 0.0 - 4 e 449 377 etot -7.8156E+01 mv 1 89 178 165 0 - 4 e 335 371 etot -7.1261E+01 mv 1 89 158 -17 0 - 4 e 229 399 etot -8.4717E+01 mv 1 89 94 -35 0 - -1 e 1 24 etot 1.3528E+20 mv 6 90 56 195 0 - 4 e 299 395 etot -8.4521E+01 mv 1 89 18 -8 0 - 4 e 480 359 etot -7.3201E+01 mv 1 89 191 -188 0 - 4 e 588 398 etot -8.0772E+01 mv 1 89 94 -66 0 - 4 e 85 403 etot -8.6870E+01 mv 0 89 43 0 0 c 43 0.8 0.0 - -1 e 1 35 etot 1.3528E+20 mv 6 90 76 97 0 - 4 e 11 11 etot -8.8415E+01 mv 6 90 119 100 0 c 100 0.0 0.0 - 4 e 14 6 etot -8.5611E+01 mv 6 90 11 80 0 c 80 0.0 0.0 - 4 e 85 33 etot -8.6870E+01 mv 6 90 76 43 0 - 4 e 124 2 etot -6.0821E+01 mv 6 90 11 82 0 - 4 e 155 18 etot -6.9037E+01 mv 6 90 119 44 0 - -1 e 1 41 etot 4.6322E+21 mv 6 90 176 152 0 - 4 e 164 37 etot -8.5767E+01 mv 6 90 76 128 0 - 4 e 187 12 etot -8.1209E+01 mv 6 90 119 113 0 - 4 e 198 34 etot -8.7051E+01 mv 6 90 76 167 0 c 76 4.5 0.0 - 4 e 230 13 etot -7.7605E+01 mv 6 90 119 137 0 - 4 e 217 32 etot -8.5355E+01 mv 6 90 76 47 0 - 4 e 223 9 etot -8.0807E+01 mv 6 90 11 80 0 - -1 e 1 48 etot 1.3528E+20 mv 6 90 176 75 0 - 4 e 236 27 etot -7.7127E+01 mv 6 90 56 87 0 - 4 e 246 8 etot -8.1984E+01 mv 6 90 11 97 0 - 4 e 260 25 etot -7.8350E+01 mv 6 90 56 151 0 - 4 e 318 5 etot -8.2202E+01 mv 6 90 11 135 0 - 4 e 40 51 etot -8.7921E+01 mv 6 90 26 193 0 c 193 0.1 0.0 - 4 e 269 3 etot -8.5806E+01 mv 6 90 11 38 0 - 4 e 179 40 etot -8.6798E+01 mv 6 90 76 157 0 - 4 e 282 23 etot -7.5800E+01 mv 6 90 56 39 0 - 4 e 334 21 etot -7.2069E+01 mv 6 90 56 54 0 - 4 e 316 19 etot -8.2272E+01 mv 6 90 119 73 0 - -1 e 1 59 etot 1.3528E+20 mv 6 90 26 45 0 - 4 e 333 10 etot -8.1067E+01 mv 6 90 11 100 0 - 4 e 338 17 etot -7.7487E+01 mv 6 90 119 102 0 - 4 e 403 7 etot -8.3739E+01 mv 6 90 11 187 0 - -1 e 1 62 etot 1.3528E+20 mv 6 90 27 37 0 - -1 e 1 63 etot 1.3528E+20 mv 6 90 27 182 0 - 4 e 259 39 etot -7.8819E+01 mv 6 90 76 121 0 - -1 e 1 66 etot 1.3528E+20 mv 6 90 27 143 0 - 4 e 355 28 etot -7.0216E+01 mv 6 90 56 63 0 - 4 e 172 53 etot -8.6449E+01 mv 6 90 26 4 0 - 4 e 204 45 etot -7.1681E+01 mv 6 90 176 174 0 - 4 e 403 22 etot -7.7184E+01 mv 6 90 56 161 0 - -1 e 1 71 etot 1.3528E+20 mv 6 90 54 161 0 - 4 e 415 29 etot -8.5506E+01 mv 6 90 56 157 0 - -1 e 1 73 etot 1.3528E+20 mv 6 90 54 49 0 - -1 e 1 74 etot 1.3528E+20 mv 6 90 54 90 0 - 4 e 423 1 etot -8.2960E+01 mv 6 90 11 146 0 - 4 e 439 20 etot -7.6893E+01 mv 6 90 119 63 0 - 4 e 581 38 etot -8.2360E+01 mv 6 90 76 30 0 - 4 e 486 30 etot -7.9919E+01 mv 6 90 56 45 0 - -1 e 1 79 etot 1.3528E+20 mv 6 90 54 62 0 - 4 e 269 47 etot -8.6429E+01 mv 6 90 176 58 0 - -1 e 1 81 etot 1.3528E+20 mv 6 90 114 171 0 - -1 e 1 82 etot 1.3528E+20 mv 6 90 114 101 0 - 4 e 297 44 etot -8.6429E+01 mv 6 90 176 185 0 - 4 e 322 43 etot -7.4433E+01 mv 6 90 176 164 0 - 4 e 293 46 etot -8.7051E+01 mv 6 90 176 76 0 - 4 e 693 15 etot -7.6932E+01 mv 6 90 119 167 0 - 4 e 271 64 etot -8.4398E+01 mv 6 90 27 116 0 c 27 1.9 0.0 - 4 e 295 65 etot -8.1976E+01 mv 6 90 27 190 0 - 4 e 256 55 etot -8.6438E+01 mv 6 90 26 185 0 c 26 119.7 0.2 - 4 e 546 36 etot -8.2479E+01 mv 6 90 76 27 0 - 4 e 543 31 etot -8.3139E+01 mv 6 90 76 142 0 - 4 e 143 78 etot -8.4273E+01 mv 6 90 54 133 0 - 4 e 287 54 etot -7.7834E+01 mv 6 90 26 9 0 - 4 e 531 42 etot -7.9060E+01 mv 6 90 176 36 0 - -1 e 1 94 etot 1.3528E+20 mv 6 90 190 102 0 - 4 e 313 56 etot -8.2838E+01 mv 6 90 26 3 0 - 4 e 582 26 etot -8.0707E+01 mv 6 90 56 200 0 - 4 e 258 67 etot -7.4801E+01 mv 6 90 27 177 0 - -1 e 1 99 etot 1.3528E+20 mv 6 90 190 64 0 - 4 e 369 49 etot -8.0306E+01 mv 6 90 176 66 0 - 4 e 314 69 etot -8.2824E+01 mv 6 90 27 143 0 - 4 e 410 60 etot -9.2231E+01 mv 6 90 26 190 0 - 4 e 322 57 etot -7.7672E+01 mv 6 90 26 186 0 - 4 e 377 52 etot -8.4304E+01 mv 6 90 26 87 0 - 4 e 319 61 etot -8.3778E+01 mv 6 90 27 125 0 - 4 e 260 70 etot -8.9075E+01 mv 6 90 27 161 0 - 4 e 328 77 etot -8.2327E+01 mv 6 90 54 58 0 - 4 e 309 76 etot -7.4144E+01 mv 6 90 54 53 0 - 4 e 211 86 etot -8.4093E+01 mv 6 90 114 190 0 - 4 e 232 85 etot -7.7868E+01 mv 6 90 114 152 0 - 4 e 243 83 etot -7.4840E+01 mv 6 90 114 91 0 - 4 e 292 87 etot -8.4093E+01 mv 6 90 114 162 0 - -1 e 1 113 etot 1.3528E+20 mv 6 90 60 115 0 - 4 e 386 72 etot -7.8912E+01 mv 6 90 54 7 0 - 4 e 261 80 etot -8.1244E+01 mv 6 90 54 31 0 - 4 e 240 97 etot -8.4070E+01 mv 6 90 190 66 0 - 4 e 342 84 etot -8.2061E+01 mv 6 90 114 66 0 - 4 e 260 98 etot -8.2775E+01 mv 6 90 190 50 0 - 4 e 207 101 etot -8.2467E+01 mv 6 90 186 128 0 - 4 e 237 91 etot -9.1847E+01 mv 6 90 190 104 0 - 4 e 581 58 etot -7.8241E+01 mv 6 90 26 88 0 - 4 e 271 103 etot -8.3687E+01 mv 6 90 186 163 0 - -1 e 1 123 etot 1.3528E+20 mv 6 90 133 102 0 - 4 e 574 50 etot -8.5454E+01 mv 6 90 176 23 0 - 4 e 282 104 etot -6.7344E+01 mv 6 90 186 124 0 - 4 e 369 93 etot -7.9145E+01 mv 6 90 190 29 0 - -1 e 1 127 etot 1.3528E+20 mv 6 90 133 181 0 - 4 e 207 108 etot -8.3809E+01 mv 6 90 186 75 0 - 4 e 460 68 etot -8.1179E+01 mv 6 90 27 7 0 - 4 e 253 109 etot -7.2356E+01 mv 6 90 186 20 0 - 4 e 441 89 etot -8.6122E+01 mv 6 90 114 162 0 - 4 e 390 92 etot -8.0374E+01 mv 6 90 190 71 0 - 4 e 394 95 etot -8.4068E+01 mv 6 90 190 129 0 - 4 e 334 105 etot -7.0304E+01 mv 6 90 186 15 0 - 4 e 494 88 etot -7.9966E+01 mv 6 90 114 45 0 - 4 e 231 111 etot -8.3948E+01 mv 6 90 60 21 0 - 4 e 452 75 etot -7.8860E+01 mv 6 90 54 164 0 - -1 e 1 137 etot 1.3528E+20 mv 6 90 126 122 0 - 4 e 408 102 etot -7.7010E+01 mv 6 90 186 72 0 - 4 e 497 90 etot -7.8747E+01 mv 6 90 114 117 0 - -1 e 1 141 etot 2.4165E+46 mv 6 90 9 147 0 - -1 e 1 142 etot 1.3528E+20 mv 6 90 9 160 0 - 4 e 212 115 etot -8.3948E+01 mv 6 90 60 72 0 - 4 e 429 96 etot -8.5674E+01 mv 6 90 190 40 0 - 4 e 374 106 etot -8.3503E+01 mv 6 90 186 53 0 - 4 e 182 116 etot -7.9519E+01 mv 6 90 60 52 0 - 4 e 254 107 etot -8.3686E+01 mv 6 90 186 172 0 - 8 e 52 144 etot -6.3998E+01 mv 6 90 9 6 0 - 4 e 300 114 etot -8.3619E+01 mv 6 90 60 120 0 - 4 e 219 122 etot -8.6412E+01 mv 6 90 133 134 0 - 4 e 402 110 etot -8.4034E+01 mv 6 90 186 72 0 c 186 121.5 0.1 - 4 e 402 100 etot -7.6494E+01 mv 6 90 190 30 0 - 4 e 333 120 etot -8.3948E+01 mv 6 90 60 64 0 - 4 e 219 133 etot -8.4297E+01 mv 6 90 126 153 0 - 4 e 300 124 etot -8.6870E+01 mv 6 90 133 43 0 - 4 e 225 132 etot -8.8359E+01 mv 6 90 126 139 0 - 4 e 218 121 etot -7.7311E+01 mv 6 90 133 54 0 - 4 e 294 128 etot -7.9576E+01 mv 6 90 133 156 0 - 4 e 317 129 etot -8.1782E+01 mv 6 90 133 16 0 - 4 e 413 117 etot -7.8357E+01 mv 6 90 60 45 0 - 4 e 252 143 etot -7.5572E+01 mv 6 90 9 60 0 - 4 e 452 119 etot -7.3321E+01 mv 6 90 60 39 0 - 4 e 259 130 etot -7.6602E+01 mv 6 90 133 115 0 - 4 e 472 118 etot -8.3921E+01 mv 6 90 60 44 0 - 4 e 278 125 etot -8.3553E+01 mv 6 90 133 13 0 - 4 e 223 149 etot -8.4069E+01 mv 6 90 9 78 0 - 4 e 281 145 etot -8.2949E+01 mv 6 90 9 169 0 - 4 e 339 140 etot -8.3930E+01 mv 6 90 126 40 0 - -1 e 1 169 etot 1.3528E+20 mv 6 90 58 181 0 - 4 e 284 146 etot -8.5342E+01 mv 6 90 9 66 0 - 4 e 407 134 etot -8.4297E+01 mv 6 90 126 131 0 - 4 e 399 139 etot -7.2449E+01 mv 6 90 126 175 0 - 4 e 431 131 etot -8.3391E+01 mv 6 90 126 100 0 - 4 e 489 126 etot -8.5444E+01 mv 6 90 133 119 0 - 4 e 279 138 etot -9.0080E+01 mv 6 90 126 40 0 - 4 e 316 151 etot -8.8025E+01 mv 6 90 160 8 0 - 4 e 303 152 etot -7.1016E+01 mv 6 90 160 24 0 - 4 e 258 157 etot -8.3628E+01 mv 6 90 160 37 0 - 4 e 283 155 etot -7.6807E+01 mv 6 90 160 88 0 - 4 e 491 136 etot -7.3812E+01 mv 6 90 126 58 0 - -1 e 1 181 etot 1.3528E+20 mv 6 90 7 85 0 - 4 e 225 153 etot -8.1052E+01 mv 6 90 160 44 0 - 4 e 237 162 etot -7.7004E+01 mv 6 90 58 94 0 - 4 e 547 135 etot -7.8837E+01 mv 6 90 126 38 0 - 4 e 87 173 etot -8.5643E+01 mv 6 90 165 42 0 - 4 e 198 172 etot -8.1361E+01 mv 6 90 165 173 0 - 4 e 186 166 etot -8.3845E+01 mv 6 90 58 51 0 c 58 0.9 0.0 - 4 e 398 156 etot -8.1727E+01 mv 6 90 160 148 0 - 4 e 280 158 etot -8.3854E+01 mv 6 90 160 106 0 - -1 e 1 190 etot 1.3528E+20 mv 6 90 7 156 0 - 4 e 369 147 etot -8.5694E+01 mv 6 90 9 187 0 - 4 e 538 150 etot -7.5665E+01 mv 6 90 9 141 0 - -1 e 1 193 etot 1.3528E+20 mv 6 90 155 138 0 - 4 e 323 167 etot -7.5409E+01 mv 6 90 58 8 0 - 4 e 582 112 etot -8.3873E+01 mv 6 90 60 16 0 - 4 e 417 160 etot -8.7860E+01 mv 6 90 160 33 0 - 4 e 355 163 etot -7.9221E+01 mv 6 90 58 185 0 - 4 e 496 154 etot -7.9253E+01 mv 6 90 160 48 0 - 4 e 322 168 etot -8.4425E+01 mv 6 90 58 111 0 - 4 e 460 159 etot -8.2989E+01 mv 6 90 160 158 0 - 4 e 214 179 etot -7.9491E+01 mv 6 90 165 155 0 - 4 e 431 161 etot -8.0788E+01 mv 6 90 58 164 0 - 4 e 332 171 etot -7.6851E+01 mv 6 90 165 22 0 - 4 e 167 185 etot -7.3990E+01 mv 6 90 7 50 0 - 4 e 421 148 etot -8.2094E+01 mv 6 90 9 33 0 - 4 e 413 170 etot -7.4509E+01 mv 6 90 58 196 0 - 4 e 451 165 etot -7.7079E+01 mv 6 90 58 101 0 - 4 e 173 189 etot -8.5563E+01 mv 6 90 7 130 0 - -1 e 1 209 etot 1.3528E+20 mv 2 90 119 -153 0 - 4 e 357 177 etot -7.4613E+01 mv 6 90 165 67 0 - 4 e 416 178 etot -7.2451E+01 mv 6 90 165 25 0 - 4 e 389 180 etot -8.0844E+01 mv 6 90 165 89 0 - 4 e 379 164 etot -7.3875E+01 mv 6 90 58 73 0 - 4 e 343 184 etot -8.5140E+01 mv 6 90 7 64 0 c 7 14.8 0.1 - 4 e 181 200 etot -6.6857E+01 mv 6 90 155 170 0 - -1 e 1 216 etot 1.3528E+20 mv 2 90 76 -172 0 - 4 e 224 195 etot -6.6435E+01 mv 6 90 155 148 0 - 4 e 176 205 etot -6.8034E+01 mv 2 90 11 -62 0 - 4 e 201 203 etot -8.3706E+01 mv 2 90 11 116 0 - 4 e 334 176 etot -8.0433E+01 mv 6 90 165 54 0 - 4 e 242 198 etot -8.3796E+01 mv 6 90 155 43 0 c 155 2.8 0.0 - 4 e 410 182 etot -8.5029E+01 mv 6 90 7 11 0 - 4 e 496 175 etot -8.4301E+01 mv 6 90 165 17 0 - 4 e 258 197 etot -8.3115E+01 mv 6 90 155 30 0 - 4 e 292 194 etot -7.3044E+01 mv 6 90 155 62 0 - 4 e 381 187 etot -7.8318E+01 mv 6 90 7 159 0 - 4 e 199 208 etot -8.6851E+01 mv 2 90 119 -58 0 - 4 e 288 201 etot -8.3705E+01 mv 2 90 11 -10 0 - 4 e 179 211 etot -8.5508E+01 mv 2 90 56 12 0 c 56 2.9 0.0 - 4 e 146 218 etot -6.0525E+01 mv 2 90 76 193 0 - 4 e 604 174 etot -8.4522E+01 mv 6 90 165 95 0 - 4 e 362 199 etot -8.1434E+01 mv 6 90 155 66 0 - 4 e 292 207 etot -7.8294E+01 mv 2 90 119 13 0 - 4 e 356 204 etot -7.3408E+01 mv 2 90 11 -187 0 - 4 e 199 215 etot -8.5508E+01 mv 2 90 56 117 0 c 56 1.8 0.0 - 4 e 333 191 etot -7.6916E+01 mv 6 90 155 109 0 - 4 e 539 186 etot -7.7820E+01 mv 6 90 7 154 0 - 4 e 315 210 etot -8.2082E+01 mv 2 90 119 17 0 - 4 e 211 224 etot -6.8505E+01 mv 2 90 176 -144 0 - 4 e 352 188 etot -8.4548E+01 mv 6 90 7 37 0 - 4 e 259 213 etot -8.5508E+01 mv 2 90 56 -34 0 - 4 e 251 220 etot -8.7051E+01 mv 2 90 76 93 0 - 4 e 227 225 etot -8.6429E+01 mv 2 90 176 20 0 - 4 e 501 202 etot -7.7894E+01 mv 2 90 11 42 0 - 4 e 275 223 etot -8.6429E+01 mv 2 90 176 73 0 c 176 2.5 0.0 - 4 e 374 196 etot -7.6838E+01 mv 6 90 155 66 0 - 4 e 307 222 etot -7.4689E+01 mv 2 90 176 126 0 - -1 e 1 248 etot 1.3528E+20 mv 2 90 190 -90 0 - 4 e 491 183 etot -8.1921E+01 mv 6 90 7 197 0 - -1 e 1 250 etot 1.3528E+20 mv 2 90 190 120 0 - 4 e 263 230 etot -7.4974E+01 mv 2 90 26 -190 0 - 4 e 289 227 etot -7.4857E+01 mv 2 90 26 58 0 - 4 e 406 212 etot -8.0044E+01 mv 2 90 56 80 0 - -1 e 1 254 etot 1.3528E+20 mv 2 90 186 -95 0 - 4 e 198 236 etot -6.6457E+01 mv 2 90 54 -184 0 - 4 e 160 243 etot -8.4094E+01 mv 2 90 114 187 0 - 4 e 298 214 etot -8.3521E+01 mv 2 90 56 124 0 - -1 e 1 258 etot 1.3528E+20 mv 2 90 60 -47 0 - 4 e 456 219 etot -8.5972E+01 mv 2 90 76 -118 0 - 4 e 287 233 etot -7.4103E+01 mv 2 90 27 -190 0 - 4 e 203 242 etot -8.4094E+01 mv 2 90 114 160 0 - 4 e 202 244 etot -6.8679E+01 mv 2 90 114 -35 0 - 4 e 164 245 etot -8.4094E+01 mv 2 90 114 43 0 - 4 e 185 237 etot -6.7484E+01 mv 2 90 54 46 0 - 4 e 293 235 etot -8.4398E+01 mv 2 90 27 187 0 c 27 2.3 0.0 - -1 e 1 266 etot 1.3528E+20 mv 2 90 126 147 0 - 4 e 468 226 etot -8.3684E+01 mv 2 90 26 46 0 - 4 e 194 241 etot -8.4094E+01 mv 2 90 114 96 0 - 4 e 555 192 etot -7.9634E+01 mv 6 90 155 182 0 - 4 e 210 249 etot -8.4069E+01 mv 2 90 190 169 0 - 4 e 132 257 etot -6.3423E+01 mv 2 90 60 -67 0 - 4 e 185 253 etot -8.3970E+01 mv 2 90 186 84 0 - 4 e 345 238 etot -7.4620E+01 mv 2 90 54 100 0 - 4 e 486 228 etot -7.7466E+01 mv 2 90 26 -166 0 - 4 e 437 232 etot -8.1371E+01 mv 2 90 27 -40 0 - -1 e 1 276 etot 1.3528E+20 mv 2 90 160 -72 0 - -1 e 1 277 etot 1.3528E+20 mv 2 90 160 154 0 - 8 e 147 251 etot -6.3998E+01 mv 2 90 186 -13 0 - -1 e 1 279 etot 1.3528E+20 mv 2 90 160 -113 0 - 4 e 397 221 etot -7.3328E+01 mv 2 90 176 112 0 - 4 e 127 259 etot -7.0389E+01 mv 2 90 60 31 0 - 4 e 211 255 etot -8.3809E+01 mv 2 90 186 -30 0 - 4 e 143 264 etot -6.6275E+01 mv 2 90 133 56 0 - 4 e 452 234 etot -7.9155E+01 mv 2 90 27 9 0 - 4 e 229 247 etot -7.0547E+01 mv 2 90 190 147 0 - 4 e 239 256 etot -6.9674E+01 mv 2 90 60 151 0 - 4 e 349 246 etot -8.0186E+01 mv 2 90 190 100 0 - 4 e 663 217 etot -7.7751E+01 mv 2 90 76 107 0 - 4 e 207 261 etot -8.4002E+01 mv 2 90 133 180 0 - 4 e 425 240 etot -7.4669E+01 mv 2 90 54 -185 0 - 4 e 210 263 etot -8.0525E+01 mv 2 90 133 64 0 - 4 e 224 262 etot -8.4340E+01 mv 2 90 133 60 0 - 4 e 592 229 etot -8.1977E+01 mv 2 90 26 -2 0 - 4 e 344 252 etot -8.2540E+01 mv 2 90 186 -80 0 - -1 e 1 295 etot 1.3528E+20 mv 2 90 7 53 0 - 4 e 590 206 etot -8.4302E+01 mv 2 90 119 121 0 - 4 e 144 275 etot -7.2607E+01 mv 2 90 9 96 0 - 4 e 261 260 etot -7.8875E+01 mv 2 90 60 45 0 - 4 e 629 231 etot -8.4397E+01 mv 2 90 27 14 0 - 4 e 195 273 etot -8.3939E+01 mv 2 90 9 163 0 c 9 1.7 0.0 - 4 e 295 267 etot -7.5587E+01 mv 2 90 126 77 0 - 4 e 562 239 etot -7.8101E+01 mv 2 90 54 113 0 - 4 e 229 272 etot -8.3939E+01 mv 2 90 9 147 0 - 4 e 231 271 etot -8.3939E+01 mv 2 90 9 155 0 - 4 e 223 265 etot -8.1965E+01 mv 2 90 133 -168 0 - 4 e 144 288 etot -8.3800E+01 mv 2 90 165 106 0 - -1 e 1 306 etot 1.3528E+20 mv 1 90 119 5 0 - 4 e 129 296 etot -5.7203E+01 mv 2 90 155 -95 0 - 4 e 219 285 etot -8.3845E+01 mv 2 90 58 135 0 - 4 e 266 283 etot -8.3845E+01 mv 2 90 58 34 0 - 4 e 217 291 etot -7.1273E+01 mv 2 90 7 57 0 - 4 e 344 274 etot -7.2284E+01 mv 2 90 9 141 0 - 4 e 252 290 etot -8.3479E+01 mv 2 90 165 10 0 - -1 e 1 314 etot 1.3528E+20 mv 1 90 56 42 0 - 4 e 281 270 etot -7.1767E+01 mv 2 90 126 -91 0 - 4 e 218 286 etot -8.3495E+01 mv 2 90 165 1 0 - 4 e 305 269 etot -7.4912E+01 mv 2 90 126 185 0 - 4 e 262 299 etot -8.3796E+01 mv 2 90 155 13 0 - 4 e 207 303 etot -8.3706E+01 mv 1 90 11 166 0 - 4 e 336 292 etot -8.4430E+01 mv 2 90 7 4 0 - 4 e 344 294 etot -6.3573E+01 mv 2 90 7 -69 0 - 4 e 506 268 etot -8.4296E+01 mv 2 90 126 -171 0 - 4 e 411 284 etot -7.3489E+01 mv 2 90 58 -166 0 - 4 e 251 302 etot -8.1499E+01 mv 1 90 11 -137 0 - -1 e 1 323 etot 2.3353E+26 mv 1 90 176 -83 0 - -1 e 1 326 etot 1.3528E+20 mv 1 90 26 -124 0 - 4 e 459 278 etot -8.3853E+01 mv 2 90 160 -91 0 - 4 e 339 298 etot -8.2532E+01 mv 2 90 155 -172 0 - 4 e 308 301 etot -7.7909E+01 mv 1 90 11 -29 0 - 4 e 188 312 etot -8.5508E+01 mv 1 90 56 -38 0 c 56 1.5 0.0 - 4 e 423 289 etot -7.8092E+01 mv 2 90 165 -39 0 - 4 e 413 293 etot -8.4339E+01 mv 2 90 7 -53 0 - 4 e 185 313 etot -8.5508E+01 mv 1 90 56 84 0 - 4 e 310 305 etot -7.6382E+01 mv 1 90 11 5 0 - 4 e 482 287 etot -6.8841E+01 mv 2 90 165 -136 0 - 4 e 233 308 etot -8.8037E+01 mv 1 90 119 144 0 - 4 e 281 311 etot -8.5415E+01 mv 1 90 56 -182 0 - 4 e 391 304 etot -8.2961E+01 mv 1 90 11 75 0 - -1 e 1 339 etot 1.3528E+20 mv 1 90 54 -77 0 - 4 e 195 316 etot -8.7052E+01 mv 1 90 76 -8 0 c 76 1.2 0.0 - 4 e 434 282 etot -8.4583E+01 mv 2 90 58 166 0 - 4 e 416 309 etot -7.5196E+01 mv 1 90 119 -125 0 - -1 e 1 342 etot 1.3528E+20 mv 1 90 114 -164 0 - 4 e 169 332 etot -6.5823E+01 mv 1 90 27 -50 0 - 4 e 195 318 etot -8.7052E+01 mv 1 90 76 -189 0 c 76 0.9 0.0 - 4 e 269 320 etot -8.7051E+01 mv 1 90 76 -49 0 - 4 e 165 335 etot -6.3740E+01 mv 1 90 27 -59 0 - 4 e 512 300 etot -8.0832E+01 mv 2 90 155 32 0 - 4 e 263 322 etot -6.8747E+01 mv 1 90 176 -60 0 - 4 e 207 330 etot -8.6194E+01 mv 1 90 26 195 0 - 4 e 483 307 etot -8.8556E+01 mv 1 90 119 -79 0 c 119 116.8 0.5 - 4 e 198 334 etot -8.4398E+01 mv 1 90 27 179 0 c 27 1.7 0.0 - 4 e 270 324 etot -8.6186E+01 mv 1 90 176 -107 0 - 4 e 509 280 etot -8.0299E+01 mv 2 90 160 -108 0 - 4 e 195 336 etot -8.4272E+01 mv 1 90 54 -2 0 - 4 e 320 325 etot -8.6428E+01 mv 1 90 176 89 0 - 4 e 392 319 etot -6.6820E+01 mv 1 90 76 120 0 - 4 e 203 338 etot -8.4272E+01 mv 1 90 54 91 0 - 4 e 338 327 etot -8.2942E+01 mv 1 90 26 -12 0 - 4 e 320 328 etot -8.4213E+01 mv 1 90 26 175 0 - 4 e 146 345 etot -6.8099E+01 mv 1 90 114 -29 0 - -1 e 1 362 etot 1.3528E+20 mv 1 90 133 -80 0 - 4 e 314 331 etot -8.4398E+01 mv 1 90 27 85 0 - 4 e 293 333 etot -8.4398E+01 mv 1 90 27 72 0 - 4 e 559 281 etot -8.1564E+01 mv 2 90 58 -130 0 - 4 e 533 310 etot -8.4304E+01 mv 1 90 119 37 0 - 4 e 138 341 etot -8.3587E+01 mv 1 90 114 65 0 - 4 e 418 321 etot -8.4578E+01 mv 1 90 176 -12 0 - 4 e 411 329 etot -7.9770E+01 mv 1 90 26 24 0 - 4 e 516 297 etot -8.4069E+01 mv 2 90 155 111 0 - 4 e 239 343 etot -7.2161E+01 mv 1 90 114 -151 0 - 4 e 204 349 etot -8.4070E+01 mv 1 90 190 39 0 - 4 e 613 315 etot -8.3616E+01 mv 1 90 56 75 0 - 4 e 243 352 etot -8.3970E+01 mv 1 90 186 14 0 - 4 e 162 363 etot -8.4341E+01 mv 1 90 133 93 0 - 4 e 400 317 etot -8.6140E+01 mv 1 90 76 -13 0 - 4 e 224 344 etot -8.2062E+01 mv 1 90 114 77 0 - 4 e 322 348 etot -7.5942E+01 mv 1 90 190 57 0 - 4 e 313 351 etot -7.7558E+01 mv 1 90 186 118 0 - 4 e 246 361 etot -7.9863E+01 mv 1 90 133 -92 0 - 4 e 360 350 etot -8.4069E+01 mv 1 90 190 148 0 - 4 e 396 347 etot -8.4069E+01 mv 1 90 190 184 0 - 4 e 467 340 etot -8.0663E+01 mv 1 90 54 95 0 - 4 e 211 372 etot -7.3834E+01 mv 1 90 9 5 0 - 4 e 312 364 etot -7.7966E+01 mv 1 90 133 -80 0 - 4 e 234 370 etot -8.4297E+01 mv 1 90 126 -82 0 - 4 e 365 356 etot -8.1190E+01 mv 1 90 60 -125 0 - 4 e 154 375 etot -8.3939E+01 mv 1 90 9 -190 0 c 9 1.2 0.0 - 4 e 254 369 etot -6.9383E+01 mv 1 90 126 -34 0 - 4 e 264 373 etot -8.3938E+01 mv 1 90 9 88 0 - 4 e 350 365 etot -8.4340E+01 mv 1 90 133 -34 0 - 4 e 286 355 etot -8.3969E+01 mv 1 90 186 -71 0 - 4 e 452 353 etot -7.7654E+01 mv 1 90 186 -184 0 - 4 e 232 374 etot -8.3939E+01 mv 1 90 9 -32 0 c 9 0.7 0.0 - 4 e 375 346 etot -8.3078E+01 mv 1 90 190 -100 0 - 4 e 200 380 etot -8.3034E+01 mv 1 90 160 24 0 - 8 e 22 393 etot -6.3989E+01 mv 1 90 7 -2 0 - 4 e 497 357 etot -7.5509E+01 mv 1 90 60 176 0 - 4 e 167 389 etot -6.9450E+01 mv 1 90 165 -117 0 - 4 e 206 379 etot -7.0848E+01 mv 1 90 160 -144 0 - 4 e 308 368 etot -8.4816E+01 mv 1 90 126 38 0 c 126 50.1 0.5 - 4 e 523 360 etot -8.4752E+01 mv 1 90 60 179 0 c 60 157.3 0.8 - 4 e 362 376 etot -8.3855E+01 mv 1 90 160 38 0 - 4 e 305 371 etot -8.3938E+01 mv 1 90 9 -199 0 - 4 e 235 378 etot -8.3855E+01 mv 1 90 160 -60 0 - 4 e 523 367 etot -8.3310E+01 mv 1 90 126 128 0 - 4 e 525 337 etot -8.1104E+01 mv 1 90 54 83 0 - 4 e 229 388 etot -8.2703E+01 mv 1 90 165 -103 0 - 4 e 10 408 etot -8.4273E+01 mv 0 90 54 0 0 c 54 0.0 0.0 - 4 e 10 409 etot -8.4094E+01 mv 0 90 114 0 0 c 114 0.0 0.0 - 4 e 578 358 etot -8.3340E+01 mv 1 90 60 -168 0 f 151 357.2 0.2 - 4 e 13 411 etot -8.3970E+01 mv 0 90 186 0 0 - 4 e 94 401 etot -8.3706E+01 mv 0 90 11 0 0 c 11 0.6 0.0 - 4 e 261 390 etot -8.3799E+01 mv 1 90 165 -108 0 - 4 e 683 354 etot -5.0408E+01 mv 1 90 186 -37 0 - 4 e 33 410 etot -8.4070E+01 mv 0 90 190 0 0 c 190 0.0 0.0 - 4 e 36 413 etot -8.4341E+01 mv 0 90 133 0 0 c 133 0.1 0.0 - 4 e 305 387 etot -6.5833E+01 mv 1 90 165 -34 0 - 4 e 11 416 etot -8.3855E+01 mv 0 90 160 0 0 c 160 0.0 0.0 -## N0 total= 19 close= 15 far= 0 %acc 78.9 -## N1 total= 101 close= 10 far= 1 %acc 10.9 -## N2 total= 100 close= 5 far= 0 %acc 5.0 -## N3 total= 0 close= 0 far= 0 %acc 0.0 -## N4 total= 0 close= 0 far= 0 %acc 0.0 -## N5 total= 0 close= 0 far= 0 %acc 0.0 -## N6 total= 200 close= 10 far= 0 %acc 5.0 -## N7 total= 0 close= 0 far= 0 %acc 0.0 -## N8 total= 0 close= 0 far= 0 %acc 0.0 -## N9 total= 0 close= 0 far= 0 %acc 0.0 -##N10 total= 0 close= 0 far= 0 %acc 0.0 -##N11 total= 0 close= 0 far= 0 %acc 0.0 -##N12 total= 0 close= 0 far= 0 %acc 0.0 -##N13 total= 0 close= 0 far= 0 %acc 0.0 -##N14 total= 0 close= 0 far= 0 %acc 0.0 -##N15 total= 0 close= 0 far= 0 %acc 0.0 -##N16 total= 0 close= 0 far= 0 %acc 0.0 -##N17 total= 0 close= 0 far= 0 %acc 0.0 -##N18 total= 0 close= 0 far= 0 %acc 0.0 - Time for refresh 91 0.27 - make_var : nseed= 20 ntry= 420 - Time for make trial 92 0.08 -Nonsetup time 177.30 sec, Eval/s = 65023.89 -Time for iter 92 1.70 sec, Eval/s = 66688.88 - UPDATING 420 - 4 e 382 381 etot -8.4173E+01 mv 1 90 58 75 0 c 58 60.3 0.3 - 4 e 346 384 etot -8.4296E+01 mv 1 90 58 15 0 c 58 45.3 0.1 - 4 e 63 418 etot -8.3800E+01 mv 0 90 165 0 0 c 165 0.2 0.0 - 4 e 125 403 etot -8.5508E+01 mv 0 90 56 0 0 c 56 1.0 0.0 - 4 e 132 407 etot -8.4399E+01 mv 0 90 27 0 0 c 27 0.9 0.0 - 4 e 499 382 etot -7.7383E+01 mv 1 90 58 44 0 - 4 e 111 420 etot -8.3796E+01 mv 0 90 155 0 0 c 155 1.0 0.0 - 4 e 160 404 etot -8.7052E+01 mv 0 90 76 0 0 c 76 0.5 0.0 - 4 e 235 395 etot -8.5071E+01 mv 1 90 7 24 0 - 4 e 240 399 etot -8.3796E+01 mv 1 90 155 -140 0 - 4 e 246 394 etot -8.5143E+01 mv 1 90 7 -192 0 c 7 5.9 0.0 - 4 e 154 419 etot -8.5072E+01 mv 0 90 7 0 0 - 4 e 639 359 etot -7.9665E+01 mv 1 90 60 -70 0 - 4 e 566 385 etot -8.0426E+01 mv 1 90 58 -132 0 - -1 e 1 4 etot 9.8318E+23 mv 6 91 109 4 0 - 4 e 32 414 etot -8.4298E+01 mv 0 90 126 0 0 - 4 e 220 400 etot -8.3796E+01 mv 1 90 155 -134 0 - 4 e 214 397 etot -8.3290E+01 mv 1 90 155 51 0 - -1 e 1 8 etot 1.3528E+20 mv 6 91 109 106 0 - 4 e 554 383 etot -8.2743E+01 mv 1 90 58 -187 0 - 4 e 85 415 etot -8.3939E+01 mv 0 90 9 0 0 c 9 0.4 0.0 - 4 e 475 391 etot -8.4430E+01 mv 1 90 7 189 0 - 4 e 381 386 etot -7.4672E+01 mv 1 90 165 -78 0 - 4 e 345 392 etot -8.5070E+01 mv 1 90 7 25 0 - 4 e 101 412 etot -8.3949E+01 mv 0 90 60 0 0 - -1 e 1 17 etot 1.3528E+20 mv 6 91 14 11 0 - 4 e 334 396 etot -8.3795E+01 mv 1 90 155 110 0 - 4 e 168 406 etot -8.6194E+01 mv 0 90 26 0 0 - 4 e 456 366 etot -8.4296E+01 mv 1 90 126 18 0 - 4 e 151 402 etot -8.8038E+01 mv 0 90 119 0 0 - 4 e 534 377 etot -8.0303E+01 mv 1 90 160 146 0 - 4 e 158 398 etot -8.3796E+01 mv 1 90 155 -64 0 - 4 e 111 405 etot -8.6430E+01 mv 0 90 176 0 0 c 176 1.9 0.0 - 4 e 44 417 etot -8.3845E+01 mv 0 90 58 0 0 - 4 e 203 27 etot -7.8311E+01 mv 6 91 7 37 0 - 4 e 235 5 etot -6.8950E+01 mv 6 91 109 114 0 - 4 e 231 34 etot -9.0745E+01 mv 6 91 119 161 0 - 4 e 253 20 etot -8.5225E+01 mv 6 91 14 40 0 - -1 e 1 38 etot 1.3528E+20 mv 6 91 119 107 0 - 4 e 253 32 etot -8.2887E+01 mv 6 91 119 164 0 - 4 e 260 12 etot -8.5243E+01 mv 6 91 14 185 0 - 4 e 233 24 etot -8.0525E+01 mv 6 91 7 137 0 - 4 e 307 15 etot -8.5957E+01 mv 6 91 14 23 0 - -1 e 1 43 etot 1.3528E+20 mv 6 91 89 198 0 - 4 e 259 16 etot -8.1449E+01 mv 6 91 14 191 0 - 4 e 273 11 etot -7.6630E+01 mv 6 91 14 187 0 - 4 e 270 9 etot -8.3150E+01 mv 6 91 109 198 0 - 4 e 251 13 etot -8.5045E+01 mv 6 91 14 136 0 - 4 e 281 25 etot -8.4500E+01 mv 6 91 7 109 0 - 4 e 299 19 etot -8.1013E+01 mv 6 91 14 109 0 - 4 e 314 22 etot -7.9931E+01 mv 6 91 7 95 0 - 4 e 337 18 etot -7.9919E+01 mv 6 91 14 61 0 - 4 e 341 1 etot -8.2185E+01 mv 6 91 109 95 0 - 4 e 325 23 etot -8.5141E+01 mv 6 91 7 181 0 - 4 e 235 36 etot -9.0074E+01 mv 6 91 119 176 0 - 4 e 369 10 etot -8.1480E+01 mv 6 91 109 154 0 - 4 e 477 6 etot -8.6265E+01 mv 6 91 109 60 0 - 4 e 374 30 etot -8.2256E+01 mv 6 91 7 88 0 - 4 e 409 33 etot -9.0080E+01 mv 6 91 119 86 0 - 4 e 216 35 etot -8.3945E+01 mv 6 91 119 70 0 - 4 e 524 7 etot -7.5974E+01 mv 6 91 109 93 0 - 4 e 443 3 etot -8.2590E+01 mv 6 91 109 15 0 - 4 e 387 29 etot -8.1217E+01 mv 6 91 7 58 0 - 4 e 428 31 etot -9.0744E+01 mv 6 91 119 63 0 - -1 e 1 64 etot 1.3528E+20 mv 6 91 60 182 0 - -1 e 1 65 etot 1.3528E+20 mv 6 91 60 142 0 - 4 e 426 26 etot -8.0371E+01 mv 6 91 7 120 0 - 4 e 401 28 etot -8.5206E+01 mv 6 91 7 174 0 c 7 44.7 0.1 - 4 e 444 21 etot -7.8629E+01 mv 6 91 7 75 0 - 4 e 213 40 etot -8.1762E+01 mv 6 91 119 99 0 - 4 e 504 14 etot -7.8807E+01 mv 6 91 14 103 0 - 4 e 213 39 etot -9.0745E+01 mv 6 91 119 89 0 - 4 e 263 45 etot -8.0135E+01 mv 6 91 89 55 0 - 4 e 196 51 etot -7.2290E+01 mv 6 91 126 181 0 - 4 e 213 57 etot -8.5078E+01 mv 6 91 126 17 0 c 126 110.0 0.3 - 4 e 234 55 etot -8.4498E+01 mv 6 91 126 121 0 - 4 e 188 56 etot -6.8751E+01 mv 6 91 126 78 0 - 4 e 399 44 etot -8.2960E+01 mv 6 91 89 24 0 - -1 e 1 78 etot 1.3528E+20 mv 6 91 156 186 0 - 4 e 307 37 etot -8.0548E+01 mv 6 91 119 97 0 - 4 e 661 2 etot -7.8484E+01 mv 6 91 109 189 0 - 4 e 406 42 etot -8.6376E+01 mv 6 91 89 64 0 - 4 e 46 80 etot -8.5080E+01 mv 6 91 156 109 0 c 109 0.1 0.0 - 4 e 340 54 etot -8.4816E+01 mv 6 91 126 185 0 - 4 e 277 61 etot -8.3210E+01 mv 6 91 60 155 0 - 4 e 418 48 etot -7.9064E+01 mv 6 91 89 96 0 - 4 e 196 71 etot -7.5800E+01 mv 6 91 156 168 0 - 4 e 352 50 etot -8.1810E+01 mv 6 91 89 37 0 - -1 e 1 88 etot 1.3528E+20 mv 6 91 186 94 0 - 4 e 171 73 etot -8.4247E+01 mv 6 91 156 147 0 - 4 e 413 49 etot -8.3852E+01 mv 6 91 89 143 0 - 4 e 304 62 etot -7.3529E+01 mv 6 91 60 21 0 - 4 e 420 46 etot -7.5987E+01 mv 6 91 89 57 0 - 4 e 321 52 etot -8.4563E+01 mv 6 91 126 14 0 - 4 e 431 47 etot -8.3874E+01 mv 6 91 89 42 0 - 4 e 524 41 etot -8.1914E+01 mv 6 91 89 185 0 - 4 e 181 79 etot -7.7063E+01 mv 6 91 156 69 0 - -1 e 1 97 etot 1.3528E+20 mv 6 91 93 137 0 - 4 e 240 75 etot -7.5682E+01 mv 6 91 156 148 0 - 4 e 516 53 etot -7.5646E+01 mv 6 91 126 105 0 - -1 e 1 100 etot 1.3528E+20 mv 6 91 93 97 0 - 4 e 307 69 etot -6.9703E+01 mv 6 91 60 58 0 - 4 e 255 76 etot -8.4247E+01 mv 6 91 156 196 0 - 4 e 332 58 etot -7.9288E+01 mv 6 91 126 52 0 - 4 e 312 74 etot -8.1830E+01 mv 6 91 156 17 0 - 4 e 341 67 etot -7.6441E+01 mv 6 91 60 195 0 - 4 e 77 102 etot -8.9527E+01 mv 6 91 125 116 0 - 4 e 254 82 etot -8.3936E+01 mv 6 91 186 179 0 - 4 e 233 86 etot -8.3505E+01 mv 6 91 186 75 0 f 120 361.9 0.3 - 4 e 249 85 etot -8.2774E+01 mv 6 91 186 90 0 - 4 e 319 68 etot -8.3140E+01 mv 6 91 60 162 0 - 4 e 300 84 etot -8.0037E+01 mv 6 91 186 96 0 - 4 e 452 72 etot -7.8152E+01 mv 6 91 156 78 0 - -1 e 1 113 etot 1.3528E+20 mv 6 91 69 7 0 - 4 e 260 92 etot -8.3690E+01 mv 6 91 93 35 0 - 4 e 392 81 etot -7.8995E+01 mv 6 91 186 175 0 - 8 e 55 109 etot -6.3999E+01 mv 6 91 125 170 0 - 4 e 447 59 etot -7.7800E+01 mv 6 91 126 86 0 - 4 e 426 60 etot -8.1892E+01 mv 6 91 126 118 0 - 4 e 370 70 etot -8.3340E+01 mv 6 91 60 151 0 c 151 3.2 0.0 - 4 e 262 96 etot -8.4079E+01 mv 6 91 93 158 0 - 4 e 385 63 etot -8.5637E+01 mv 6 91 60 61 0 - 4 e 386 87 etot -8.1718E+01 mv 6 91 186 101 0 - 4 e 265 101 etot -8.3778E+01 mv 6 91 125 183 0 - 4 e 28 122 etot -9.2543E+01 mv 6 91 49 104 0 c 104 0.1 0.0 - 4 e 246 124 etot -7.1274E+01 mv 6 91 49 169 0 - 4 e 199 116 etot -7.5757E+01 mv 6 91 69 171 0 - 4 e 349 98 etot -8.4551E+01 mv 6 91 93 147 0 - 4 e 353 99 etot -7.9485E+01 mv 6 91 93 24 0 - 4 e 227 110 etot -7.3252E+01 mv 6 91 125 81 0 - 4 e 387 95 etot -8.3690E+01 mv 6 91 93 109 0 - 4 e 559 77 etot -8.4294E+01 mv 6 91 156 115 0 - 4 e 480 93 etot -7.8837E+01 mv 6 91 93 127 0 - 4 e 240 121 etot -8.2324E+01 mv 6 91 49 169 0 - 4 e 210 117 etot -8.4570E+01 mv 6 91 69 130 0 - 4 e 246 123 etot -7.5656E+01 mv 6 91 49 120 0 - 4 e 522 90 etot -7.4453E+01 mv 6 91 186 92 0 - -1 e 1 129 etot 1.3528E+20 mv 6 91 49 83 0 - 4 e 284 106 etot -7.5065E+01 mv 6 91 125 85 0 - 4 e 364 94 etot -8.0634E+01 mv 6 91 93 5 0 - 4 e 186 114 etot -8.2369E+01 mv 6 91 69 9 0 - 4 e 296 107 etot -8.2289E+01 mv 6 91 125 120 0 - 4 e 425 105 etot -8.4103E+01 mv 6 91 125 105 0 c 10 246.8 0.8 - 4 e 235 112 etot -8.1628E+01 mv 6 91 69 114 0 - 4 e 295 108 etot -7.7367E+01 mv 6 91 125 152 0 - 4 e 613 91 etot -7.7211E+01 mv 6 91 93 136 0 - 4 e 157 111 etot -8.6881E+01 mv 6 91 69 41 0 - 4 e 525 66 etot -8.3138E+01 mv 6 91 60 179 0 - 4 e 218 118 etot -6.8083E+01 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etot -8.5767E+01 mv 6 91 187 12 0 c 74 18.8 0.0 - 4 e 228 142 etot -8.3516E+01 mv 6 91 73 32 0 - 4 e 267 132 etot -8.4927E+01 mv 6 91 187 103 0 c 187 4.1 0.0 - 4 e 199 150 etot -7.4077E+01 mv 6 91 73 175 0 - 4 e 289 133 etot -8.4296E+01 mv 6 91 187 58 0 - -1 e 1 173 etot 1.3528E+20 mv 6 91 68 11 0 - -1 e 1 175 etot 1.3528E+20 mv 6 91 68 12 0 - 4 e 251 130 etot -8.3770E+01 mv 6 91 49 26 0 - 4 e 305 138 etot -7.6122E+01 mv 6 91 187 65 0 - 4 e 244 128 etot -7.9065E+01 mv 6 91 49 76 0 - -1 e 1 179 etot 1.3528E+20 mv 6 91 68 57 0 - -1 e 1 180 etot 1.3528E+20 mv 6 91 68 32 0 - 4 e 337 139 etot -8.4669E+01 mv 6 91 187 144 0 - 4 e 356 143 etot -7.3011E+01 mv 6 91 73 117 0 - 4 e 356 152 etot -8.4856E+01 mv 6 91 91 29 0 - 4 e 360 135 etot -8.7069E+01 mv 6 91 187 136 0 - 4 e 295 157 etot -7.9707E+01 mv 6 91 91 48 0 - 4 e 374 140 etot -8.4963E+01 mv 6 91 187 168 0 - 4 e 408 137 etot -8.5341E+01 mv 6 91 187 104 0 - 4 e 292 153 etot -8.3288E+01 mv 6 91 91 164 0 - 4 e 445 141 etot -7.4072E+01 mv 6 91 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- 4 e 529 185 etot -8.4124E+01 mv 6 91 175 132 0 - 4 e 524 158 etot -8.2996E+01 mv 6 91 91 88 0 - -1 e 1 233 etot 1.3528E+20 mv 2 91 60 -194 0 - 4 e 273 207 etot -7.4238E+01 mv 2 91 14 -193 0 - 4 e 186 216 etot -8.8558E+01 mv 2 91 119 191 0 c 119 2.4 0.0 - 4 e 202 206 etot -7.7052E+01 mv 2 91 14 58 0 - 4 e 187 215 etot -8.5143E+01 mv 2 91 7 164 0 - 4 e 298 205 etot -8.7247E+01 mv 2 91 109 76 0 - 4 e 266 209 etot -8.5243E+01 mv 2 91 14 139 0 - 4 e 279 211 etot -8.3155E+01 mv 2 91 7 -102 0 - 4 e 160 220 etot -8.8558E+01 mv 2 91 119 111 0 c 119 0.8 0.0 - 4 e 173 223 etot -8.5194E+01 mv 2 91 89 -144 0 c 89 34.2 0.3 - 4 e 255 204 etot -8.7247E+01 mv 2 91 109 21 0 - -1 e 1 244 etot 1.3528E+20 mv 2 91 186 193 0 - 4 e 267 214 etot -8.5286E+01 mv 2 91 7 41 0 c 7 11.6 0.1 - -1 e 1 246 etot 1.3528E+20 mv 2 91 93 -97 0 - 4 e 271 217 etot -8.2575E+01 mv 2 91 119 -29 0 - 4 e 243 213 etot -7.5811E+01 mv 2 91 7 143 0 - 4 e 292 218 etot -6.9886E+01 mv 2 91 119 -162 0 - -1 e 1 250 etot 1.3528E+20 mv 2 91 93 54 0 - 4 e 537 193 etot -8.1424E+01 mv 6 91 87 91 0 - 4 e 127 236 etot -8.4247E+01 mv 2 91 156 106 0 c 156 1.0 0.0 - 4 e 170 231 etot -8.4754E+01 mv 2 91 60 169 0 c 60 2.6 0.0 - 4 e 534 198 etot -8.4632E+01 mv 6 91 87 111 0 c 182 340.1 1.2 - 4 e 165 227 etot -6.7818E+01 mv 2 91 126 19 0 - 4 e 231 228 etot -7.4610E+01 mv 2 91 126 162 0 - 4 e 134 241 etot -8.4035E+01 mv 2 91 186 30 0 c 186 2.5 0.0 - 4 e 164 240 etot -8.0978E+01 mv 2 91 156 60 0 - 4 e 302 225 etot -8.4899E+01 mv 2 91 89 38 0 - -1 e 1 260 etot 1.3528E+20 mv 2 91 69 -12 0 - 4 e 575 202 etot -8.6328E+01 mv 2 91 109 101 0 - 4 e 198 243 etot -8.4035E+01 mv 2 91 186 196 0 - 4 e 152 253 etot -6.9832E+01 mv 2 91 125 -40 0 - 4 e 270 239 etot -8.4246E+01 mv 2 91 156 -48 0 - 4 e 308 232 etot -8.7236E+01 mv 2 91 60 64 0 c 60 119.3 2.5 - 4 e 133 258 etot -6.0781E+01 mv 2 91 69 86 0 - 4 e 545 212 etot -7.9001E+01 mv 2 91 7 -175 0 - 4 e 207 237 etot -8.4247E+01 mv 2 91 156 51 0 - 4 e 178 245 etot -8.4035E+01 mv 2 91 186 194 0 - -1 e 1 270 etot 1.3528E+20 mv 2 91 187 -169 0 - 4 e 269 230 etot -6.3024E+01 mv 2 91 126 -71 0 - -1 e 1 272 etot 1.3528E+20 mv 2 91 73 125 0 - 4 e 275 247 etot -7.0799E+01 mv 2 91 93 112 0 - 4 e 254 234 etot -7.5068E+01 mv 2 91 60 98 0 - 4 e 326 224 etot -7.9595E+01 mv 2 91 89 -122 0 - 4 e 396 235 etot -8.7236E+01 mv 2 91 60 -143 0 c 60 7.6 0.0 - 4 e 234 255 etot -7.7108E+01 mv 2 91 125 -167 0 - 4 e 558 219 etot -8.2176E+01 mv 2 91 119 51 0 - -1 e 1 279 etot 1.3528E+20 mv 2 91 91 -97 0 - 4 e 295 251 etot -7.2230E+01 mv 2 91 125 -141 0 - 4 e 334 226 etot -8.5407E+01 mv 2 91 126 -2 0 c 126 14.9 0.3 - 4 e 555 221 etot -8.4213E+01 mv 2 91 89 -141 0 - 4 e 316 248 etot -8.4079E+01 mv 2 91 93 -121 0 - -1 e 1 283 etot 1.3528E+20 mv 2 91 166 -191 0 - -1 e 1 285 etot 1.3528E+20 mv 2 91 166 -84 0 - 4 e 180 256 etot -8.3777E+01 mv 2 91 69 123 0 - 4 e 378 242 etot -8.4092E+01 mv 2 91 186 104 0 c 186 64.5 0.1 - 4 e 373 252 etot -8.2841E+01 mv 2 91 125 -82 0 - -1 e 1 289 etot 1.3528E+20 mv 2 91 68 99 0 - -1 e 1 290 etot 1.3528E+20 mv 2 91 68 5 0 - 4 e 201 266 etot -8.4927E+01 mv 2 91 187 135 0 c 187 2.4 0.0 - 4 e 166 274 etot -6.8710E+01 mv 2 91 73 -153 0 - 4 e 286 262 etot -8.3770E+01 mv 2 91 49 68 0 - -1 e 1 294 etot 1.3528E+20 mv 2 91 175 179 0 - 4 e 306 263 etot -8.3770E+01 mv 2 91 49 108 0 - 4 e 614 229 etot -8.4814E+01 mv 2 91 126 -45 0 - 4 e 165 281 etot -6.0698E+01 mv 2 91 166 -43 0 - 4 e 557 238 etot -6.3281E+01 mv 2 91 156 50 0 - 4 e 423 254 etot -7.9341E+01 mv 2 91 125 -107 0 - 4 e 370 261 etot -8.1719E+01 mv 2 91 49 104 0 - 4 e 408 259 etot -7.7447E+01 mv 2 91 69 43 0 - 4 e 499 249 etot -7.4263E+01 mv 2 91 93 81 0 - 4 e 340 264 etot -8.3151E+01 mv 2 91 49 -134 0 - 4 e 188 286 etot -8.3046E+01 mv 2 91 68 -149 0 - -1 e 1 305 etot 1.3528E+20 mv 1 91 109 190 0 - 4 e 135 292 etot -5.9659E+01 mv 2 91 175 -112 0 - 4 e 143 293 etot -6.5887E+01 mv 2 91 175 -65 0 - -1 e 1 308 etot 1.3528E+20 mv 1 91 14 10 0 - 4 e 279 280 etot -8.3686E+01 mv 2 91 91 49 0 - 4 e 253 288 etot -8.3672E+01 mv 2 91 68 -158 0 - 4 e 163 296 etot -8.3479E+01 mv 2 91 87 125 0 - 4 e 594 222 etot -7.1846E+01 mv 2 91 89 -154 0 - 4 e 287 269 etot -8.4621E+01 mv 2 91 187 85 0 - 4 e 328 284 etot -7.8177E+01 mv 2 91 166 -46 0 - 4 e 593 257 etot -8.1726E+01 mv 2 91 69 -136 0 - 4 e 299 273 etot -6.8799E+01 mv 2 91 73 -16 0 - 4 e 218 298 etot -6.9979E+01 mv 2 91 87 81 0 - -1 e 1 318 etot 1.3528E+20 mv 1 91 119 132 0 - 4 e 238 295 etot -8.3625E+01 mv 2 91 175 141 0 - 4 e 115 310 etot -7.1839E+01 mv 1 91 14 76 0 - 4 e 236 297 etot -7.4763E+01 mv 2 91 87 -52 0 - 4 e 304 276 etot -6.9168E+01 mv 2 91 91 -30 0 - 4 e 436 278 etot -7.0535E+01 mv 2 91 91 -82 0 - 4 e 574 265 etot -7.5971E+01 mv 2 91 49 -4 0 - 4 e 449 277 etot -7.2183E+01 mv 2 91 91 -162 0 - 8 e 19 323 etot -6.3985E+01 mv 1 91 89 -131 0 - 4 e 363 271 etot -7.6348E+01 mv 2 91 73 -144 0 - 4 e 571 268 etot -8.3586E+01 mv 2 91 187 172 0 - 4 e 349 275 etot -7.0439E+01 mv 2 91 73 -64 0 - 4 e 280 301 etot -8.5080E+01 mv 1 91 109 34 0 - 4 e 592 267 etot -8.2531E+01 mv 2 91 187 -118 0 - 4 e 266 307 etot -8.5243E+01 mv 1 91 14 -101 0 - 4 e 122 321 etot -8.4899E+01 mv 1 91 89 -93 0 - 4 e 210 311 etot -8.5142E+01 mv 1 91 7 179 0 - 4 e 192 315 etot -7.2080E+01 mv 1 91 7 -145 0 - 4 e 363 282 etot -7.3978E+01 mv 2 91 166 -32 0 - -1 e 1 337 etot 1.3528E+20 mv 1 91 156 -32 0 - 4 e 224 312 etot -8.5143E+01 mv 1 91 7 -75 0 - -1 e 1 339 etot 1.3528E+20 mv 1 91 156 -13 0 - 4 e 361 303 etot -8.5077E+01 mv 1 91 109 -20 0 - 4 e 389 299 etot -7.3601E+01 mv 2 91 87 -119 0 - 4 e 370 304 etot -7.6143E+01 mv 1 91 109 60 0 - 4 e 228 316 etot -8.8267E+01 mv 1 91 119 153 0 - 4 e 202 320 etot -8.8557E+01 mv 1 91 119 171 0 - 4 e 430 300 etot -8.3478E+01 mv 2 91 87 -137 0 - 4 e 329 309 etot -7.7126E+01 mv 1 91 14 -119 0 - 4 e 525 291 etot -8.1234E+01 mv 2 91 175 160 0 - 4 e 267 322 etot -8.4899E+01 mv 1 91 89 -32 0 - 4 e 210 329 etot -8.3919E+01 mv 1 91 126 144 0 - 4 e 476 302 etot -7.8330E+01 mv 1 91 109 -121 0 - 4 e 477 306 etot -8.1337E+01 mv 1 91 14 -118 0 - 4 e 325 319 etot -7.4486E+01 mv 1 91 119 111 0 - 4 e 242 332 etot -7.6712E+01 mv 1 91 60 198 0 - 4 e 271 331 etot -8.4753E+01 mv 1 91 60 -175 0 - 4 e 231 335 etot -8.4754E+01 mv 1 91 60 57 0 - 4 e 248 334 etot -8.4754E+01 mv 1 91 60 118 0 - 4 e 348 325 etot -8.4441E+01 mv 1 91 89 -35 0 - 4 e 235 328 etot -8.4817E+01 mv 1 91 126 24 0 - 4 e 217 345 etot -8.2775E+01 mv 1 91 186 -169 0 - 4 e 204 348 etot -8.4079E+01 mv 1 91 93 175 0 - 4 e 139 350 etot -8.4080E+01 mv 1 91 93 111 0 - 4 e 279 340 etot -8.2733E+01 mv 1 91 156 181 0 - 4 e 413 324 etot -7.0440E+01 mv 1 91 89 -30 0 - 4 e 340 333 etot -8.5729E+01 mv 1 91 60 -163 0 - -1 e 1 364 etot 1.3528E+20 mv 1 91 49 -3 0 - 4 e 290 336 etot -6.7239E+01 mv 1 91 156 -195 0 - 4 e 250 330 etot -8.4817E+01 mv 1 91 126 191 0 - 4 e 275 342 etot -7.9178E+01 mv 1 91 186 141 0 - -1 e 1 369 etot 1.3528E+20 mv 1 91 187 125 0 - 4 e 339 317 etot -8.8557E+01 mv 1 91 119 -49 0 - 4 e 297 346 etot -8.4079E+01 mv 1 91 93 -101 0 - 4 e 463 326 etot -8.1571E+01 mv 1 91 126 19 0 - 4 e 255 349 etot -8.2514E+01 mv 1 91 93 128 0 - -1 e 1 374 etot 1.3528E+20 mv 1 91 73 -156 0 - 4 e 370 341 etot -7.8938E+01 mv 1 91 186 127 0 - 4 e 415 314 etot -8.4126E+01 mv 1 91 7 -76 0 - 4 e 345 347 etot -8.4079E+01 mv 1 91 93 109 0 - 4 e 257 353 etot -8.3779E+01 mv 1 91 125 -3 0 - 4 e 148 360 etot -8.3777E+01 mv 1 91 69 100 0 - 4 e 458 313 etot -8.4708E+01 mv 1 91 7 146 0 - 4 e 301 338 etot -7.2915E+01 mv 1 91 156 -95 0 - 4 e 198 361 etot -8.3770E+01 mv 1 91 49 191 0 - 4 e 683 287 etot -7.5680E+01 mv 2 91 68 -76 0 - 4 e 289 356 etot -8.3389E+01 mv 1 91 69 100 0 - 4 e 169 372 etot -5.8507E+01 mv 1 91 73 -133 0 - 4 e 336 354 etot -8.3057E+01 mv 1 91 125 112 0 - 4 e 255 363 etot -8.3770E+01 mv 1 91 49 -136 0 - 8 e 231 367 etot -6.3988E+01 mv 1 91 187 137 0 - 4 e 401 351 etot -8.1334E+01 mv 1 91 125 -194 0 - 4 e 529 343 etot -7.5470E+01 mv 1 91 186 18 0 - 4 e 540 344 etot -7.9205E+01 mv 1 91 186 -162 0 - 4 e 210 359 etot -8.3777E+01 mv 1 91 69 40 0 - 4 e 461 327 etot -7.3765E+01 mv 1 91 126 -58 0 - 4 e 319 358 etot -8.1718E+01 mv 1 91 69 172 0 - 4 e 297 365 etot -7.8575E+01 mv 1 91 49 -122 0 - 4 e 368 355 etot -6.4275E+01 mv 1 91 125 -115 0 - 4 e 210 373 etot -8.3751E+01 mv 1 91 73 36 0 - 4 e 445 352 etot -8.2744E+01 mv 1 91 125 35 0 - 4 e 232 375 etot -8.3751E+01 mv 1 91 73 106 0 - 4 e 368 357 etot -8.3774E+01 mv 1 91 69 -31 0 - 4 e 214 368 etot -8.4927E+01 mv 1 91 187 -143 0 - 4 e 232 376 etot -8.3709E+01 mv 1 91 91 99 0 - 4 e 46 401 etot -8.5080E+01 mv 0 91 109 0 0 - 4 e 403 362 etot -7.2897E+01 mv 1 91 49 52 0 - 4 e 419 366 etot -7.5052E+01 mv 1 91 187 23 0 - 4 e 251 371 etot -8.3751E+01 mv 1 91 73 -108 0 - 4 e 138 390 etot -8.3673E+01 mv 1 91 68 98 0 - 4 e 277 378 etot -8.3709E+01 mv 1 91 91 80 0 - 4 e 273 380 etot -8.3475E+01 mv 1 91 91 122 0 - 4 e 130 395 etot -8.3626E+01 mv 1 91 175 41 0 - 4 e 410 370 etot -8.4925E+01 mv 1 91 187 -125 0 - 4 e 81 402 etot -8.5244E+01 mv 0 91 14 0 0 c 14 0.8 0.0 - 4 e 200 386 etot -8.3673E+01 mv 1 91 68 -15 0 - 4 e 12 411 etot -8.3779E+01 mv 0 91 125 0 0 c 125 0.0 0.0 - 4 e 15 412 etot -8.3778E+01 mv 0 91 69 0 0 c 69 0.0 0.0 - 4 e 14 413 etot -8.3770E+01 mv 0 91 49 0 0 c 49 0.0 0.0 - 4 e 173 392 etot -8.3625E+01 mv 1 91 175 142 0 - 4 e 58 410 etot -8.4080E+01 mv 0 91 93 0 0 c 93 0.2 0.0 - 4 e 22 416 etot -8.3710E+01 mv 0 91 91 0 0 c 91 0.0 0.0 -## N0 total= 20 close= 13 far= 0 %acc 65.0 -## N1 total= 100 close= 3 far= 0 %acc 3.0 -## N2 total= 100 close= 13 far= 0 %acc 13.0 -## N3 total= 0 close= 0 far= 0 %acc 0.0 -## N4 total= 0 close= 0 far= 0 %acc 0.0 -## N5 total= 0 close= 0 far= 0 %acc 0.0 -## N6 total= 200 close= 12 far= 1 %acc 6.5 -## N7 total= 0 close= 0 far= 0 %acc 0.0 -## N8 total= 0 close= 0 far= 0 %acc 0.0 -## N9 total= 0 close= 0 far= 0 %acc 0.0 -##N10 total= 0 close= 0 far= 0 %acc 0.0 -##N11 total= 0 close= 0 far= 0 %acc 0.0 -##N12 total= 0 close= 0 far= 0 %acc 0.0 -##N13 total= 0 close= 0 far= 0 %acc 0.0 -##N14 total= 0 close= 0 far= 0 %acc 0.0 -##N15 total= 0 close= 0 far= 0 %acc 0.0 -##N16 total= 0 close= 0 far= 0 %acc 0.0 -##N17 total= 0 close= 0 far= 0 %acc 0.0 -##N18 total= 0 close= 0 far= 0 %acc 0.0 - Time for refresh 92 0.27 - make_var : nseed= 20 ntry= 420 - Time for make trial 93 0.05 -Nonsetup time 179.07 sec, Eval/s = 65061.11 -Time for iter 93 1.77 sec, Eval/s = 68790.53 - UPDATING 420 - 4 e 69 408 etot -8.4247E+01 mv 0 91 156 0 0 c 156 0.8 0.0 - 4 e 118 404 etot -8.8558E+01 mv 0 91 119 0 0 - 4 e 344 400 etot -8.3479E+01 mv 1 91 87 -107 0 - 4 e 351 399 etot -8.2944E+01 mv 1 91 87 156 0 - 4 e 99 414 etot -8.4928E+01 mv 0 91 187 0 0 c 187 1.0 0.0 - 4 e 61 415 etot -8.3751E+01 mv 0 91 73 0 0 c 73 0.2 0.0 - 4 e 251 398 etot -8.3479E+01 mv 1 91 87 39 0 - 4 e 355 387 etot -8.0344E+01 mv 1 91 68 -81 0 - 4 e 301 385 etot -8.5595E+01 mv 1 91 166 62 0 c 166 3.5 0.0 - 4 e 182 403 etot -8.5143E+01 mv 0 91 7 0 0 - 4 e 735 383 etot -8.3123E+01 mv 1 91 166 85 0 - 4 e 240 397 etot -8.0310E+01 mv 1 91 87 42 0 - 4 e 273 396 etot -8.3479E+01 mv 1 91 87 135 0 - 4 e 18 418 etot -8.3673E+01 mv 0 91 68 0 0 c 68 0.0 0.0 - 4 e 130 405 etot -8.4899E+01 mv 0 91 89 0 0 - 4 e 145 409 etot -8.4035E+01 mv 0 91 186 0 0 - 4 e 37 420 etot -8.3479E+01 mv 0 91 87 0 0 c 87 0.1 0.0 - 4 e 256 391 etot -8.3625E+01 mv 1 91 175 161 0 - 4 e 290 388 etot -8.3672E+01 mv 1 91 68 134 0 - 4 e 13 419 etot -8.3626E+01 mv 0 91 175 0 0 c 175 0.0 0.0 - 4 e 114 406 etot -8.4817E+01 mv 0 91 126 0 0 - 4 e 247 389 etot -8.3672E+01 mv 1 91 68 174 0 - 4 e 378 379 etot -5.4717E+01 mv 1 91 91 -127 0 - -1 e 1 17 etot 1.3528E+20 mv 6 92 116 145 0 - 4 e 203 384 etot -5.8369E+01 mv 1 91 166 -79 0 - 4 e 430 382 etot -7.4762E+01 mv 1 91 166 -81 0 - 4 e 166 417 etot -8.5596E+01 mv 0 91 166 0 0 c 166 2.3 0.0 - 4 e 147 393 etot -8.3626E+01 mv 1 91 175 93 0 - 4 e 292 377 etot -8.2012E+01 mv 1 91 91 -57 0 - 4 e 250 394 etot -8.1410E+01 mv 1 91 175 2 0 - 4 e 102 407 etot -8.4754E+01 mv 0 91 60 0 0 - 4 e 540 381 etot -8.1834E+01 mv 1 91 166 142 0 - 4 e 10 6 etot -8.4341E+01 mv 6 92 106 133 0 c 133 0.0 0.0 - 4 e 2 25 etot -8.6119E+01 mv 6 92 60 128 0 - -1 e 1 28 etot 1.3528E+20 mv 6 92 60 20 0 - -1 e 1 32 etot 1.3528E+20 mv 6 92 89 88 0 - -1 e 1 33 etot 5.0153E+23 mv 6 92 89 24 0 - 4 e 112 8 etot -6.5233E+01 mv 6 92 106 159 0 - 4 e 125 24 etot -7.7296E+01 mv 6 92 60 5 0 - 4 e 157 30 etot -7.4584E+01 mv 6 92 60 126 0 - 4 e 175 18 etot -8.8207E+01 mv 6 92 116 101 0 - 4 e 196 5 etot -6.7402E+01 mv 6 92 106 1 0 - 4 e 239 31 etot -8.3591E+01 mv 6 92 89 31 0 - 4 e 247 12 etot -8.5091E+01 mv 6 92 116 113 0 - 4 e 255 27 etot -7.3242E+01 mv 6 92 60 22 0 - 4 e 317 4 etot -8.3966E+01 mv 6 92 106 157 0 - 4 e 334 7 etot -8.7652E+01 mv 6 92 106 88 0 - 4 e 278 21 etot -7.5121E+01 mv 6 92 60 165 0 - -1 e 1 48 etot 2.0370E+28 mv 6 92 182 41 0 - 4 e 27 44 etot -8.6870E+01 mv 6 92 182 43 0 c 43 0.0 0.0 - 4 e 302 26 etot -8.6529E+01 mv 6 92 60 23 0 - 4 e 290 23 etot -7.0158E+01 mv 6 92 60 138 0 - 4 e 305 11 etot -9.1041E+01 mv 6 92 116 193 0 - 4 e 307 20 etot -8.9526E+01 mv 6 92 116 81 0 - 4 e 335 9 etot -8.2621E+01 mv 6 92 106 54 0 - 4 e 342 29 etot -8.5394E+01 mv 6 92 60 74 0 - 4 e 359 22 etot -8.7236E+01 mv 6 92 60 15 0 c 60 6.7 0.0 - 4 e 373 16 etot -8.4251E+01 mv 6 92 116 170 0 - 4 e 368 13 etot -8.4698E+01 mv 6 92 116 191 0 - 4 e 303 42 etot -7.8175E+01 mv 6 92 182 1 0 - 4 e 451 37 etot -7.7586E+01 mv 6 92 89 141 0 - -1 e 1 61 etot 1.3528E+20 mv 6 92 10 118 0 - 4 e 383 2 etot -8.4055E+01 mv 6 92 106 144 0 - 4 e 377 36 etot -8.5244E+01 mv 6 92 89 38 0 c 89 89.5 0.1 - -1 e 1 64 etot 1.3528E+20 mv 6 92 10 173 0 - 4 e 346 35 etot -8.3469E+01 mv 6 92 89 105 0 - -1 e 1 66 etot 1.3528E+20 mv 6 92 10 42 0 - -1 e 1 67 etot 1.3528E+20 mv 6 92 10 4 0 - 4 e 459 3 etot -7.3862E+01 mv 6 92 106 93 0 - 4 e 466 10 etot -7.9531E+01 mv 6 92 106 154 0 - 4 e 400 34 etot -6.9953E+01 mv 6 92 89 74 0 - -1 e 1 71 etot 1.3528E+20 mv 6 92 7 141 0 - 4 e 361 39 etot -7.9723E+01 mv 6 92 89 49 0 - 4 e 517 19 etot -8.5054E+01 mv 6 92 116 30 0 - -1 e 1 74 etot 1.3528E+20 mv 6 92 7 26 0 - 4 e 348 40 etot -8.7897E+01 mv 6 92 89 183 0 c 89 102.9 2.7 - 4 e 362 46 etot -7.6724E+01 mv 6 92 182 90 0 - 4 e 231 49 etot -7.3864E+01 mv 6 92 182 118 0 - 4 e 230 50 etot -7.0888E+01 mv 6 92 182 123 0 - 4 e 513 1 etot -8.0796E+01 mv 6 92 106 178 0 - 4 e 518 14 etot -8.3067E+01 mv 6 92 116 17 0 - 4 e 509 15 etot -7.6446E+01 mv 6 92 116 174 0 - 8 e 21 77 etot -6.3986E+01 mv 6 92 7 121 0 - 4 e 424 38 etot -8.4219E+01 mv 6 92 89 143 0 - 4 e 394 47 etot -8.2529E+01 mv 6 92 182 104 0 - 4 e 278 60 etot -7.3577E+01 mv 6 92 58 98 0 - 4 e 10 86 etot -8.7060E+01 mv 6 92 186 185 0 c 185 0.0 0.0 - 4 e 508 41 etot -7.6311E+01 mv 6 92 182 4 0 - 4 e 305 58 etot -8.6195E+01 mv 6 92 58 60 0 - 4 e 339 62 etot -7.9291E+01 mv 6 92 10 104 0 - -1 e 1 90 etot 1.3528E+20 mv 6 92 186 121 0 - 4 e 210 65 etot -8.4103E+01 mv 6 92 10 66 0 - 4 e 312 54 etot -7.7523E+01 mv 6 92 58 146 0 - 4 e 419 43 etot -7.1549E+01 mv 6 92 182 34 0 - 4 e 376 53 etot -7.8686E+01 mv 6 92 58 150 0 - -1 e 1 95 etot 1.8535E+22 mv 6 92 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-7.7093E+01 mv 6 92 199 7 0 - 4 e 298 130 etot -7.9898E+01 mv 6 92 173 48 0 - 4 e 467 92 etot -7.5181E+01 mv 6 92 113 111 0 - 4 e 473 119 etot -7.1240E+01 mv 6 92 31 73 0 - 4 e 313 132 etot -8.8800E+01 mv 6 92 26 131 0 - 4 e 517 113 etot -8.2585E+01 mv 6 92 31 115 0 - 4 e 321 133 etot -8.8800E+01 mv 6 92 26 50 0 - 4 e 344 129 etot -8.0066E+01 mv 6 92 173 61 0 - 4 e 222 141 etot -7.8235E+01 mv 6 92 199 100 0 - 4 e 160 142 etot -6.8880E+01 mv 6 92 199 15 0 - 4 e 328 135 etot -6.9561E+01 mv 6 92 26 35 0 - 4 e 252 146 etot -8.4873E+01 mv 6 92 199 163 0 c 172 192.7 0.1 - 4 e 431 126 etot -8.3374E+01 mv 6 92 173 47 0 - 4 e 257 149 etot -8.3346E+01 mv 6 92 199 157 0 - -1 e 1 172 etot 1.3528E+20 mv 6 92 142 196 0 - 4 e 216 155 etot -6.6602E+01 mv 6 92 151 184 0 - 4 e 342 139 etot -8.2089E+01 mv 6 92 26 124 0 - 4 e 333 140 etot -8.3184E+01 mv 6 92 26 191 0 - 4 e 385 118 etot -8.0038E+01 mv 6 92 31 26 0 - 4 e 269 156 etot -7.7679E+01 mv 6 92 151 68 0 - 4 e 193 163 etot -7.7191E+01 mv 6 92 170 84 0 - 4 e 312 159 etot -8.5191E+01 mv 6 92 151 171 0 - 4 e 462 145 etot -7.6849E+01 mv 6 92 199 77 0 - 4 e 201 171 etot -8.8207E+01 mv 6 92 142 101 0 - 4 e 296 164 etot -8.5016E+01 mv 6 92 170 168 0 - 4 e 551 137 etot -8.5677E+01 mv 6 92 26 168 0 - 4 e 595 134 etot -9.2231E+01 mv 6 92 26 84 0 - 4 e 329 151 etot -8.3263E+01 mv 6 92 151 35 0 - 4 e 479 153 etot -7.8110E+01 mv 6 92 151 183 0 - 4 e 599 138 etot -7.1140E+01 mv 6 92 26 13 0 - 4 e 417 136 etot -8.0428E+01 mv 6 92 26 65 0 - 4 e 207 168 etot -8.3298E+01 mv 6 92 170 163 0 - 4 e 252 176 etot -7.3220E+01 mv 6 92 142 116 0 - -1 e 1 191 etot 1.3528E+20 mv 6 92 164 171 0 - 4 e 389 162 etot -8.2880E+01 mv 6 92 170 155 0 - 4 e 527 152 etot -7.4001E+01 mv 6 92 151 95 0 - 4 e 307 157 etot -8.3098E+01 mv 6 92 151 174 0 - 4 e 360 167 etot -7.4719E+01 mv 6 92 170 41 0 - 4 e 384 166 etot -8.2975E+01 mv 6 92 170 163 0 - 4 e 482 160 etot -8.4458E+01 mv 6 92 151 27 0 - 4 e 265 178 etot -6.7552E+01 mv 6 92 142 82 0 - 4 e 455 165 etot -8.3273E+01 mv 6 92 170 15 0 - 4 e 361 174 etot -7.6792E+01 mv 6 92 142 80 0 - 4 e 237 180 etot -8.2943E+01 mv 6 92 142 4 0 - 4 e 606 158 etot -7.1371E+01 mv 6 92 151 70 0 - 4 e 456 147 etot -8.4254E+01 mv 6 92 199 119 0 - 4 e 235 182 etot -7.9757E+01 mv 6 92 120 41 0 - 4 e 252 181 etot -7.9453E+01 mv 6 92 120 158 0 - 4 e 430 175 etot -8.1095E+01 mv 6 92 142 117 0 - 4 e 194 187 etot -8.4814E+01 mv 6 92 120 172 0 - 4 e 190 188 etot -7.8840E+01 mv 6 92 120 27 0 - -1 e 1 209 etot 1.3528E+20 mv 2 92 116 9 0 - 4 e 238 185 etot -6.4682E+01 mv 6 92 120 193 0 - 4 e 118 195 etot -8.4399E+01 mv 6 92 164 27 0 - 4 e 392 179 etot -6.3067E+01 mv 6 92 142 13 0 - 4 e 188 190 etot -8.3386E+01 mv 6 92 120 39 0 - 4 e 589 169 etot -8.2653E+01 mv 6 92 170 153 0 - 4 e 250 197 etot -7.9478E+01 mv 6 92 164 192 0 - 4 e 267 194 etot -8.5111E+01 mv 6 92 164 114 0 - 4 e 587 173 etot -7.5664E+01 mv 6 92 142 26 0 - 4 e 377 183 etot -8.1859E+01 mv 6 92 120 196 0 - 4 e 228 189 etot -7.6862E+01 mv 6 92 120 138 0 - -1 e 1 220 etot 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4 e 614 211 etot -8.7235E+01 mv 2 92 60 8 0 - 4 e 267 230 etot -8.4297E+01 mv 2 92 58 182 0 c 58 2.0 0.0 - 4 e 200 247 etot -7.2132E+01 mv 2 92 113 -97 0 - -1 e 1 264 etot 1.3528E+20 mv 2 92 173 -111 0 - 4 e 485 228 etot -6.9757E+01 mv 2 92 58 87 0 - 4 e 235 245 etot -7.8991E+01 mv 2 92 186 12 0 - 4 e 530 224 etot -7.9502E+01 mv 2 92 182 -194 0 - 4 e 214 249 etot -7.8491E+01 mv 2 92 113 -23 0 - 4 e 181 252 etot -8.3716E+01 mv 2 92 39 18 0 - 4 e 279 235 etot -7.5103E+01 mv 2 92 10 40 0 - 4 e 422 234 etot -7.7706E+01 mv 2 92 10 57 0 - -1 e 1 272 etot 1.3528E+20 mv 2 92 199 114 0 - 4 e 227 251 etot -7.7975E+01 mv 2 92 39 -64 0 - 4 e 548 225 etot -7.8473E+01 mv 2 92 182 52 0 - 4 e 543 229 etot -7.1821E+01 mv 2 92 58 -117 0 - 4 e 279 240 etot -7.7257E+01 mv 2 92 7 -138 0 - 4 e 341 244 etot -7.7888E+01 mv 2 92 186 -26 0 - 4 e 244 243 etot -8.4035E+01 mv 2 92 186 107 0 - 4 e 245 253 etot -7.4287E+01 mv 2 92 39 -64 0 - 4 e 436 241 etot -8.4033E+01 mv 2 92 186 -11 0 - 4 e 509 214 etot 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151 -131 0 - 4 e 204 282 etot -8.0259E+01 mv 2 92 170 192 0 - 4 e 509 262 etot -7.3174E+01 mv 2 92 173 -42 0 - 4 e 180 294 etot -7.4686E+01 mv 2 92 120 132 0 - 4 e 284 287 etot -7.0564E+01 mv 2 92 142 -55 0 - 4 e 430 275 etot -8.1605E+01 mv 2 92 199 -110 0 - 4 e 524 237 etot -7.4851E+01 mv 2 92 7 -33 0 - 4 e 584 258 etot -8.2585E+01 mv 2 92 31 -150 0 - -1 e 1 309 etot 1.3528E+20 mv 1 92 116 -143 0 - 4 e 283 288 etot -8.3296E+01 mv 2 92 142 -126 0 - 4 e 158 293 etot -7.0572E+01 mv 2 92 120 -41 0 - -1 e 1 312 etot 1.3528E+20 mv 1 92 60 70 0 - 4 e 333 271 etot -8.1019E+01 mv 2 92 199 -26 0 - 4 e 353 284 etot -7.4871E+01 mv 2 92 170 189 0 - 4 e 292 290 etot -8.3296E+01 mv 2 92 142 129 0 - 4 e 442 278 etot -8.3340E+01 mv 2 92 151 29 0 - 4 e 238 295 etot -8.3505E+01 mv 2 92 120 193 0 c 120 2.6 0.0 - 4 e 569 268 etot -7.5268E+01 mv 2 92 26 97 0 - 4 e 551 270 etot -7.4792E+01 mv 2 92 26 71 0 - 4 e 444 281 etot -7.0714E+01 mv 2 92 170 -80 0 - 4 e 443 283 etot -8.3296E+01 mv 2 92 170 46 0 - 4 e 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etot 1.3528E+20 mv 1 92 173 -19 0 - 4 e 205 341 etot -8.4093E+01 mv 1 92 186 -13 0 c 186 3.8 0.0 - 4 e 207 342 etot -8.4093E+01 mv 1 92 186 150 0 - 4 e 342 323 etot -8.4632E+01 mv 1 92 182 55 0 - 4 e 279 337 etot -8.5286E+01 mv 1 92 7 32 0 - 4 e 211 348 etot -7.7158E+01 mv 1 92 113 79 0 - 4 e 289 328 etot -8.4297E+01 mv 1 92 58 -60 0 - 4 e 201 351 etot -8.2830E+01 mv 1 92 39 -44 0 - 4 e 602 316 etot -6.5931E+01 mv 1 92 89 -169 0 - 4 e 320 338 etot -8.5285E+01 mv 1 92 7 181 0 - 4 e 454 308 etot -8.9526E+01 mv 1 92 116 -162 0 - 4 e 171 346 etot -8.5120E+01 mv 1 92 113 123 0 c 113 4.9 0.0 - 4 e 300 340 etot -7.5592E+01 mv 1 92 7 44 0 - 4 e 325 339 etot -8.2838E+01 mv 1 92 7 133 0 - 4 e 189 347 etot -8.5091E+01 mv 1 92 113 191 0 - 4 e 221 343 etot -8.4093E+01 mv 1 92 186 200 0 - 4 e 252 355 etot -7.4115E+01 mv 1 92 39 70 0 - 4 e 179 359 etot -6.8707E+01 mv 1 92 31 -183 0 - -1 e 1 380 etot 1.3528E+20 mv 1 92 151 -83 0 - 8 e 2 381 etot 8.3873E+06 mv 1 92 170 173 0 - 4 e 633 326 etot 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-42 0 - 4 e 213 386 etot -8.3296E+01 mv 1 92 142 98 0 - 4 e 18 402 etot -8.9527E+01 mv 0 92 116 0 0 c 116 0.0 0.0 - 4 e 228 378 etot -7.4500E+01 mv 1 92 151 132 0 - 4 e 216 388 etot -6.8974E+01 mv 1 92 142 190 0 - 4 e 277 374 etot -7.8757E+01 mv 1 92 199 -113 0 - 4 e 311 385 etot -8.3298E+01 mv 1 92 170 109 0 - 4 e 689 344 etot -6.4197E+01 mv 1 92 186 151 0 - 4 e 443 353 etot -7.3191E+01 mv 1 92 39 159 0 - 4 e 188 395 etot -8.3505E+01 mv 1 92 120 86 0 c 120 1.5 0.0 - 4 e 13 410 etot -8.5092E+01 mv 0 92 113 0 0 - 4 e 503 364 etot -8.2315E+01 mv 1 92 173 -16 0 - 4 e 190 396 etot -8.3288E+01 mv 1 92 164 122 0 - 4 e 11 411 etot -8.3716E+01 mv 0 92 39 0 0 c 39 0.0 0.0 - 4 e 241 393 etot -8.3002E+01 mv 1 92 120 125 0 - 4 e 10 415 etot -8.3346E+01 mv 0 92 199 0 0 c 199 0.0 0.0 - 4 e 16 413 etot -8.3375E+01 mv 0 92 173 0 0 c 173 0.0 0.0 - 4 e 26 412 etot -8.3385E+01 mv 0 92 31 0 0 -## N0 total= 19 close= 11 far= 0 %acc 57.9 -## N1 total= 101 close= 8 far= 0 %acc 7.9 -## N2 total= 100 close= 7 far= 0 %acc 7.0 -## N3 total= 0 close= 0 far= 0 %acc 0.0 -## N4 total= 0 close= 0 far= 0 %acc 0.0 -## N5 total= 0 close= 0 far= 0 %acc 0.0 -## N6 total= 200 close= 10 far= 0 %acc 5.0 -## N7 total= 0 close= 0 far= 0 %acc 0.0 -## N8 total= 0 close= 0 far= 0 %acc 0.0 -## N9 total= 0 close= 0 far= 0 %acc 0.0 -##N10 total= 0 close= 0 far= 0 %acc 0.0 -##N11 total= 0 close= 0 far= 0 %acc 0.0 -##N12 total= 0 close= 0 far= 0 %acc 0.0 -##N13 total= 0 close= 0 far= 0 %acc 0.0 -##N14 total= 0 close= 0 far= 0 %acc 0.0 -##N15 total= 0 close= 0 far= 0 %acc 0.0 -##N16 total= 0 close= 0 far= 0 %acc 0.0 -##N17 total= 0 close= 0 far= 0 %acc 0.0 -##N18 total= 0 close= 0 far= 0 %acc 0.0 - Time for refresh 93 0.29 - make_var : nseed= 20 ntry= 420 - Time for make trial 94 0.05 -Nonsetup time 180.83 sec, Eval/s = 65098.91 -Time for iter 94 1.77 sec, Eval/s = 68931.96 - UPDATING 420 - 4 e 346 391 etot -7.3817E+01 mv 1 92 120 -185 0 - 4 e 430 382 etot -6.9961E+01 mv 1 92 170 -57 0 - 4 e 440 390 etot -8.1245E+01 mv 1 92 142 -150 0 - 4 e 57 418 etot -8.3296E+01 mv 0 92 142 0 0 - 4 e 100 404 etot -8.5194E+01 mv 0 92 89 0 0 - 4 e 501 371 etot -8.4170E+01 mv 1 92 199 190 0 - 4 e 154 414 etot -8.6439E+01 mv 0 92 26 0 0 c 26 0.6 0.0 - 4 e 26 420 etot -8.3288E+01 mv 0 92 164 0 0 c 164 0.0 0.0 - 4 e 67 417 etot -8.3298E+01 mv 0 92 170 0 0 c 170 0.3 0.0 - -1 e 1 1 etot 1.3528E+20 mv 6 93 6 27 0 - 4 e 176 398 etot -8.3288E+01 mv 1 92 164 101 0 - -1 e 1 3 etot 1.3528E+20 mv 6 93 6 33 0 - 4 e 534 389 etot -7.2095E+01 mv 1 92 142 -34 0 - 4 e 485 397 etot -7.1013E+01 mv 1 92 164 -155 0 - 4 e 372 400 etot -7.0473E+01 mv 1 92 164 -38 0 - 4 e 479 379 etot -6.9103E+01 mv 1 92 151 -1 0 - 4 e 339 387 etot -8.3412E+01 mv 1 92 142 -58 0 c 142 2.2 0.0 - 4 e 331 399 etot -7.7854E+01 mv 1 92 164 -87 0 - 4 e 447 394 etot -7.9822E+01 mv 1 92 120 -154 0 - -1 e 1 13 etot 1.3528E+20 mv 6 93 31 167 0 - 4 e 275 392 etot -8.2043E+01 mv 1 92 120 -19 0 - 4 e 574 384 etot -8.3294E+01 mv 1 92 170 -183 0 - 4 e 120 403 etot 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-6.7802E+01 mv 6 93 89 189 0 - 4 e 362 53 etot -8.9072E+01 mv 6 93 86 37 0 - -1 e 1 85 etot 1.3528E+20 mv 6 93 113 146 0 - 4 e 213 60 etot -8.4834E+01 mv 6 93 86 96 0 - 4 e 570 25 etot -9.1993E+01 mv 6 93 67 98 0 - 4 e 298 43 etot -9.0900E+01 mv 6 93 84 10 0 - 4 e 318 65 etot -8.2239E+01 mv 6 93 89 133 0 - 4 e 223 64 etot -8.3467E+01 mv 6 93 89 44 0 - 4 e 201 68 etot -7.3161E+01 mv 6 93 89 69 0 - -1 e 1 92 etot 1.3528E+20 mv 6 93 117 46 0 - 4 e 289 57 etot -8.0289E+01 mv 6 93 86 188 0 - 4 e 321 50 etot -9.0900E+01 mv 6 93 84 158 0 - 4 e 335 69 etot -7.7275E+01 mv 6 93 89 79 0 - 4 e 660 16 etot -8.4242E+01 mv 6 93 31 163 0 - 4 e 370 56 etot -8.6570E+01 mv 6 93 86 143 0 - 4 e 208 79 etot -6.5847E+01 mv 6 93 112 16 0 - 4 e 18 99 etot -8.5229E+01 mv 6 93 117 95 0 c 95 0.0 0.0 - 4 e 307 72 etot -8.6687E+01 mv 6 93 112 126 0 c 112 83.1 0.6 - 4 e 502 62 etot -7.2701E+01 mv 6 93 89 194 0 - 4 e 403 48 etot -9.0899E+01 mv 6 93 84 139 0 - 4 e 531 41 etot -8.5098E+01 mv 6 93 84 143 0 - 4 e 283 77 etot -8.6038E+01 mv 6 93 112 172 0 - 4 e 209 86 etot -8.4151E+01 mv 6 93 113 42 0 - 4 e 345 66 etot -8.8269E+01 mv 6 93 89 59 0 - 4 e 175 93 etot -6.9871E+01 mv 6 93 117 108 0 - 4 e 458 46 etot -8.1796E+01 mv 6 93 84 112 0 - 4 e 544 63 etot -8.7898E+01 mv 6 93 89 46 0 c 89 5.5 0.0 - 4 e 292 81 etot -7.8520E+01 mv 6 93 113 165 0 - 4 e 186 88 etot -8.5078E+01 mv 6 93 113 114 0 - 4 e 224 80 etot -7.3553E+01 mv 6 93 112 140 0 - 4 e 426 74 etot -7.9433E+01 mv 6 93 112 184 0 - 4 e 224 89 etot -7.9663E+01 mv 6 93 113 25 0 - 4 e 365 83 etot -7.4821E+01 mv 6 93 113 186 0 - 4 e 285 90 etot -7.6743E+01 mv 6 93 113 64 0 - 4 e 343 70 etot -8.4169E+01 mv 6 93 89 20 0 - 4 e 132 105 etot -7.4299E+01 mv 6 93 126 172 0 - -1 e 1 119 etot 1.3335E+35 mv 6 93 142 98 0 - 4 e 224 96 etot -9.1338E+01 mv 6 93 117 82 0 - 4 e 347 84 etot -8.1896E+01 mv 6 93 113 137 0 - 4 e 247 100 etot -7.8200E+01 mv 6 93 117 55 0 - 4 e 424 78 etot -8.0611E+01 mv 6 93 112 145 0 - -1 e 1 124 etot 2.7574E+20 mv 6 93 172 92 0 - 4 e 303 97 etot -9.1338E+01 mv 6 93 117 106 0 - 4 e 202 108 etot -8.5078E+01 mv 6 93 126 112 0 - 4 e 267 104 etot -7.5909E+01 mv 6 93 126 70 0 - 4 e 186 112 etot -7.2977E+01 mv 6 93 142 6 0 - -1 e 1 128 etot 1.3528E+20 mv 6 93 172 116 0 - 4 e 311 101 etot -8.5078E+01 mv 6 93 126 63 0 - 4 e 306 91 etot -9.1338E+01 mv 6 93 117 101 0 - 4 e 331 102 etot -8.0792E+01 mv 6 93 126 155 0 - -1 e 1 133 etot 1.3528E+20 mv 6 93 179 64 0 - 4 e 154 117 etot -7.6554E+01 mv 6 93 142 81 0 - 4 e 323 95 etot -9.1338E+01 mv 6 93 117 63 0 - 4 e 452 76 etot -7.9960E+01 mv 6 93 112 155 0 - 4 e 536 87 etot -8.4258E+01 mv 6 93 113 192 0 - 4 e 585 75 etot -8.5061E+01 mv 6 93 112 15 0 - 4 e 357 106 etot -8.1273E+01 mv 6 93 126 80 0 - 4 e 104 129 etot -8.5060E+01 mv 6 93 172 181 0 - 4 e 351 111 etot -8.0745E+01 mv 6 93 142 130 0 - -1 e 1 142 etot 1.3528E+20 mv 6 93 182 175 0 - 4 e 373 110 etot -8.0317E+01 mv 6 93 126 166 0 - 4 e 627 58 etot -8.5813E+01 mv 6 93 86 39 0 - 4 e 197 126 etot -8.4873E+01 mv 6 93 172 52 0 c 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214 etot -6.9853E+01 mv 2 93 67 -22 0 - 4 e 168 253 etot -8.5408E+01 mv 2 93 126 16 0 c 126 3.5 0.0 - 4 e 195 252 etot -6.7912E+01 mv 2 93 126 -105 0 - 4 e 301 248 etot -9.1404E+01 mv 2 93 117 -132 0 - 4 e 145 263 etot -8.4874E+01 mv 2 93 172 -87 0 c 172 1.3 0.0 - -1 e 1 274 etot 1.3528E+20 mv 2 93 182 -62 0 - 4 e 377 225 etot -8.8986E+01 mv 2 93 84 45 0 - 4 e 153 265 etot -8.4874E+01 mv 2 93 172 6 0 c 172 1.1 0.0 - 4 e 493 239 etot -7.5305E+01 mv 2 93 112 -78 0 - 4 e 481 242 etot -7.9294E+01 mv 2 93 113 -149 0 - 4 e 328 249 etot -9.1404E+01 mv 2 93 117 141 0 - 4 e 645 227 etot -8.2153E+01 mv 2 93 86 93 0 - 4 e 277 255 etot -8.4817E+01 mv 2 93 126 7 0 - 4 e 312 250 etot -9.0091E+01 mv 2 93 117 -176 0 - 4 e 421 226 etot -8.9247E+01 mv 2 93 86 166 0 - -1 e 1 284 etot 1.3528E+20 mv 2 93 24 100 0 - 4 e 257 268 etot -7.3554E+01 mv 2 93 179 -29 0 - 4 e 332 257 etot -7.1985E+01 mv 2 93 142 90 0 - 4 e 108 276 etot -8.4472E+01 mv 2 93 15 127 0 - 4 e 308 267 etot -8.1570E+01 mv 2 93 179 57 0 - 4 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etot -8.3996E+01 mv 2 93 184 181 0 - 4 e 180 320 etot -8.5768E+01 mv 1 93 74 102 0 c 74 3.1 0.0 - 4 e 543 261 etot -7.8548E+01 mv 2 93 172 170 0 - 4 e 351 302 etot -8.0488E+01 mv 1 93 6 -46 0 - 4 e 228 318 etot -8.5768E+01 mv 1 93 74 193 0 c 74 2.3 0.0 - 4 e 350 303 etot -8.2465E+01 mv 1 93 6 86 0 - 4 e 321 308 etot -8.3731E+01 mv 1 93 31 -65 0 - 4 e 350 309 etot -8.2742E+01 mv 1 93 31 -107 0 - 4 e 237 322 etot -9.0900E+01 mv 1 93 84 66 0 - 4 e 493 294 etot -8.0631E+01 mv 2 93 196 167 0 - 4 e 386 307 etot -7.9881E+01 mv 1 93 31 -28 0 - 4 e 260 323 etot -7.6035E+01 mv 1 93 84 115 0 - 4 e 222 325 etot -7.4023E+01 mv 1 93 84 -77 0 - 4 e 366 293 etot -8.8826E+01 mv 2 93 196 113 0 - 4 e 619 266 etot -8.3617E+01 mv 2 93 179 -91 0 - 4 e 455 306 etot -8.3543E+01 mv 1 93 31 -105 0 - 4 e 259 317 etot -8.5768E+01 mv 1 93 74 -5 0 - 4 e 148 327 etot -7.5905E+01 mv 1 93 86 -10 0 - -1 e 1 348 etot 1.3528E+20 mv 1 93 117 153 0 - 4 e 403 314 etot -8.8348E+01 mv 1 93 67 -198 0 - 4 e 177 332 etot 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0.0 - 4 e 226 353 etot -8.5408E+01 mv 1 93 126 -146 0 c 126 1.1 0.0 - 4 e 260 350 etot -8.5783E+01 mv 1 93 117 142 0 - 4 e 520 305 etot -8.1554E+01 mv 1 93 6 -65 0 - 4 e 703 311 etot -9.1176E+01 mv 1 93 67 136 0 - 4 e 381 340 etot -7.0975E+01 mv 1 93 112 155 0 - 4 e 214 356 etot -8.3413E+01 mv 1 93 142 85 0 - 4 e 480 335 etot -8.7896E+01 mv 1 93 89 -18 0 - 4 e 438 338 etot -8.6037E+01 mv 1 93 112 -110 0 - 4 e 239 355 etot -8.3403E+01 mv 1 93 126 187 0 - 4 e 363 333 etot -8.7872E+01 mv 1 93 89 168 0 - 4 e 251 349 etot -9.1054E+01 mv 1 93 117 -43 0 - -1 e 1 382 etot 1.3528E+20 mv 1 93 24 -161 0 - 4 e 169 366 etot -8.4445E+01 mv 1 93 179 -15 0 - 4 e 495 342 etot -8.1848E+01 mv 1 93 113 -55 0 - 4 e 288 357 etot -8.0365E+01 mv 1 93 142 -62 0 - 4 e 320 347 etot -9.1338E+01 mv 1 93 117 87 0 - 4 e 315 358 etot -8.3412E+01 mv 1 93 142 131 0 - 4 e 588 337 etot -8.6038E+01 mv 1 93 112 164 0 - 4 e 166 361 etot -8.4874E+01 mv 1 93 172 -139 0 c 172 0.9 0.0 - 4 e 240 362 etot -8.4296E+01 mv 1 93 172 76 0 - 4 e 217 372 etot -7.1588E+01 mv 1 93 182 89 0 - 4 e 633 313 etot -8.6031E+01 mv 1 93 67 10 0 - 4 e 266 367 etot -8.0506E+01 mv 1 93 179 160 0 - 4 e 229 376 etot -6.5089E+01 mv 1 93 15 -54 0 - 4 e 236 375 etot -8.5055E+01 mv 1 93 182 81 0 c 182 2.1 0.0 - 4 e 463 354 etot -8.0870E+01 mv 1 93 126 -175 0 - 4 e 513 352 etot -8.5405E+01 mv 1 93 126 -60 0 - 4 e 326 363 etot -8.2841E+01 mv 1 93 172 -144 0 - 4 e 134 381 etot -9.0761E+01 mv 1 93 24 -110 0 - 4 e 186 380 etot -8.4472E+01 mv 1 93 15 -149 0 - 4 e 200 370 etot -7.9984E+01 mv 1 93 179 -192 0 - 4 e 370 360 etot -7.8268E+01 mv 1 93 142 -122 0 - 4 e 272 377 etot -7.2821E+01 mv 1 93 15 150 0 - 4 e 33 401 etot -8.3286E+01 mv 0 93 6 0 0 c 6 0.0 0.0 - 4 e 274 379 etot -8.0979E+01 mv 1 93 15 -57 0 - 4 e 196 385 etot -9.0761E+01 mv 1 93 24 -87 0 - 4 e 252 374 etot -6.5976E+01 mv 1 93 182 1 0 - 4 e 38 405 etot -9.0901E+01 mv 0 93 84 0 0 c 84 0.1 0.0 - 4 e 14 406 etot -8.9248E+01 mv 0 93 86 0 0 c 86 0.0 0.0 - 4 e 222 384 etot -7.9186E+01 mv 1 93 24 -55 0 - 4 e 488 359 etot -8.3617E+01 mv 1 93 142 -20 0 c 142 250.8 0.0 - 4 e 77 403 etot -9.0783E+01 mv 0 93 67 0 0 - 4 e 408 369 etot -7.6592E+01 mv 1 93 179 10 0 - 4 e 189 389 etot -8.9909E+01 mv 1 93 184 104 0 - 4 e 156 396 etot -8.8558E+01 mv 1 93 119 26 0 - 4 e 2 416 etot -8.4472E+01 mv 0 93 15 0 0 - 4 e 107 402 etot -8.3485E+01 mv 0 93 31 0 0 - 4 e 2 417 etot -9.0761E+01 mv 0 93 24 0 0 - 4 e 256 386 etot -7.3707E+01 mv 1 93 184 32 0 -## N0 total= 21 close= 14 far= 0 %acc 66.7 -## N1 total= 99 close= 8 far= 0 %acc 8.1 -## N2 total= 100 close= 4 far= 0 %acc 4.0 -## N3 total= 0 close= 0 far= 0 %acc 0.0 -## N4 total= 0 close= 0 far= 0 %acc 0.0 -## N5 total= 0 close= 0 far= 0 %acc 0.0 -## N6 total= 200 close= 14 far= 0 %acc 7.0 -## N7 total= 0 close= 0 far= 0 %acc 0.0 -## N8 total= 0 close= 0 far= 0 %acc 0.0 -## N9 total= 0 close= 0 far= 0 %acc 0.0 -##N10 total= 0 close= 0 far= 0 %acc 0.0 -##N11 total= 0 close= 0 far= 0 %acc 0.0 -##N12 total= 0 close= 0 far= 0 %acc 0.0 -##N13 total= 0 close= 0 far= 0 %acc 0.0 -##N14 total= 0 close= 0 far= 0 %acc 0.0 -##N15 total= 0 close= 0 far= 0 %acc 0.0 -##N16 total= 0 close= 0 far= 0 %acc 0.0 -##N17 total= 0 close= 0 far= 0 %acc 0.0 -##N18 total= 0 close= 0 far= 0 %acc 0.0 - Time for refresh 94 0.27 - make_var : nseed= 20 ntry= 420 - Time for make trial 95 0.11 -Nonsetup time 182.68 sec, Eval/s = 65122.33 -Time for iter 95 1.85 sec, Eval/s = 67414.60 - UPDATING 420 - 4 e 455 391 etot -8.1744E+01 mv 1 93 196 51 0 - 4 e 52 414 etot -8.4694E+01 mv 0 93 179 0 0 c 179 0.2 0.0 - 4 e 10 419 etot -8.8871E+01 mv 0 93 196 0 0 c 196 0.0 0.0 - 4 e 141 407 etot -8.7899E+01 mv 0 93 89 0 0 c 89 2.2 0.0 - 4 e 198 398 etot -8.6047E+01 mv 1 93 119 83 0 - 4 e 341 397 etot -8.5635E+01 mv 1 93 119 -38 0 - 4 e 481 394 etot -8.8870E+01 mv 1 93 196 152 0 - 4 e 612 392 etot -8.3390E+01 mv 1 93 196 -191 0 - 4 e 56 420 etot -8.8558E+01 mv 0 93 119 0 0 c 119 0.3 0.0 - 4 e 175 413 etot -8.4874E+01 mv 0 93 172 0 0 c 172 0.3 0.0 - -1 e 1 3 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-7.9940E+01 mv 1 94 78 -150 0 - 4 e 370 346 etot -8.8560E+01 mv 1 94 196 -135 0 - 4 e 308 335 etot -8.7201E+01 mv 1 94 104 -44 0 - 4 e 325 355 etot -6.4356E+01 mv 1 94 59 -58 0 - 4 e 688 323 etot -8.3624E+01 mv 1 94 142 -115 0 - 4 e 379 352 etot -7.3851E+01 mv 1 94 59 -177 0 - 4 e 369 333 etot -8.7171E+01 mv 1 94 104 66 0 - 4 e 417 353 etot -8.8191E+01 mv 1 94 59 32 0 - -1 e 1 389 etot 1.3528E+20 mv 1 94 88 -185 0 - 4 e 319 366 etot -8.8460E+01 mv 1 94 168 -70 0 - 4 e 235 375 etot -8.8115E+01 mv 1 94 1 -20 0 - 4 e 273 371 etot -8.7937E+01 mv 1 94 1 24 0 - 4 e 527 343 etot -7.4926E+01 mv 1 94 107 -31 0 - 4 e 618 311 etot -7.9299E+01 mv 1 94 78 131 0 - 4 e 159 381 etot -8.8060E+01 mv 1 94 200 -24 0 - 4 e 202 377 etot -8.8097E+01 mv 1 94 124 109 0 - 4 e 314 368 etot -8.9445E+01 mv 1 94 168 -91 0 - 4 e 225 376 etot -8.6484E+01 mv 1 94 124 -85 0 - 4 e 216 380 etot -8.6297E+01 mv 1 94 124 -61 0 - 4 e 329 372 etot -8.6079E+01 mv 1 94 1 166 0 - 4 e 377 349 etot -7.7756E+01 mv 1 94 196 -132 0 - 4 e 361 373 etot -7.3416E+01 mv 1 94 1 27 0 - 4 e 232 383 etot -8.4713E+01 mv 1 94 200 -94 0 - 4 e 459 339 etot -7.1178E+01 mv 1 94 24 -188 0 - 4 e 364 374 etot -7.7443E+01 mv 1 94 1 54 0 - 4 e 441 365 etot -8.3015E+01 mv 1 94 36 -89 0 - 4 e 2 406 etot -8.7801E+01 mv 0 94 47 0 0 - 4 e 2 408 etot -9.0761E+01 mv 0 94 24 0 0 - 4 e 12 407 etot -9.2543E+01 mv 0 94 104 0 0 c 104 0.0 0.0 - 4 e 108 409 etot -8.9285E+01 mv 0 94 107 0 0 c 107 0.6 0.0 - 4 e 295 387 etot -8.5447E+01 mv 1 94 88 -28 0 - 4 e 140 401 etot -8.6896E+01 mv 0 94 22 0 0 c 22 0.7 0.0 - 4 e 223 393 etot -8.7603E+01 mv 1 94 183 150 0 - 4 e 184 390 etot -8.8050E+01 mv 1 94 88 -139 0 - 4 e 292 385 etot -8.8059E+01 mv 1 94 200 63 0 - 4 e 585 359 etot -8.9072E+01 mv 1 94 161 -35 0 - 4 e 281 391 etot -8.6615E+01 mv 1 94 183 -87 0 - 4 e 284 386 etot -8.1854E+01 mv 1 94 88 -166 0 - 4 e 10 410 etot -8.8871E+01 mv 0 94 196 0 0 -## N0 total= 19 close= 14 far= 0 %acc 73.7 -## N1 total= 101 close= 3 far= 0 %acc 3.0 -## N2 total= 100 close= 1 far= 0 %acc 1.0 -## N3 total= 0 close= 0 far= 0 %acc 0.0 -## N4 total= 0 close= 0 far= 0 %acc 0.0 -## N5 total= 0 close= 0 far= 0 %acc 0.0 -## N6 total= 200 close= 11 far= 0 %acc 5.5 -## N7 total= 0 close= 0 far= 0 %acc 0.0 -## N8 total= 0 close= 0 far= 0 %acc 0.0 -## N9 total= 0 close= 0 far= 0 %acc 0.0 -##N10 total= 0 close= 0 far= 0 %acc 0.0 -##N11 total= 0 close= 0 far= 0 %acc 0.0 -##N12 total= 0 close= 0 far= 0 %acc 0.0 -##N13 total= 0 close= 0 far= 0 %acc 0.0 -##N14 total= 0 close= 0 far= 0 %acc 0.0 -##N15 total= 0 close= 0 far= 0 %acc 0.0 -##N16 total= 0 close= 0 far= 0 %acc 0.0 -##N17 total= 0 close= 0 far= 0 %acc 0.0 -##N18 total= 0 close= 0 far= 0 %acc 0.0 - Time for refresh 95 0.37 - make_var : nseed= 20 ntry= 420 - Time for make trial 96 0.07 -Nonsetup time 184.55 sec, Eval/s = 65104.71 -Time for iter 96 1.87 sec, Eval/s = 63380.35 - UPDATING 420 - 4 e 238 400 etot -8.7411E+01 mv 1 94 174 -58 0 - 4 e 418 392 etot -7.0566E+01 mv 1 94 183 -154 0 - 4 e 69 411 etot 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-8.0978E+01 mv 2 95 17 136 0 - 4 e 563 227 etot -8.6564E+01 mv 2 95 3 -136 0 - 4 e 686 215 etot -8.6044E+01 mv 2 95 149 77 0 - 4 e 400 238 etot -8.9315E+01 mv 2 95 168 67 0 - -1 e 1 276 etot 1.3528E+20 mv 2 95 47 -58 0 - 4 e 532 231 etot -7.2237E+01 mv 2 95 184 -73 0 - 4 e 142 263 etot -8.8055E+01 mv 2 95 153 84 0 - 4 e 653 222 etot -7.4234E+01 mv 2 95 24 -92 0 - 4 e 284 244 etot -4.8359E+01 mv 2 95 107 -90 0 - 4 e 326 259 etot -8.8060E+01 mv 2 95 200 45 0 - 4 e 284 261 etot -8.9059E+01 mv 2 95 153 -22 0 - 4 e 496 243 etot -7.7882E+01 mv 2 95 107 147 0 - 4 e 368 256 etot -8.1096E+01 mv 2 95 200 -68 0 - 4 e 463 247 etot -6.9261E+01 mv 2 95 36 -65 0 - 4 e 394 255 etot -7.7231E+01 mv 2 95 1 180 0 - 4 e 409 253 etot -7.4964E+01 mv 2 95 1 49 0 - 4 e 423 254 etot -8.5454E+01 mv 2 95 1 -157 0 - 4 e 425 257 etot -6.9110E+01 mv 2 95 200 -36 0 - -1 e 1 290 etot 1.3528E+20 mv 2 95 124 -55 0 - 4 e 524 249 etot -8.0334E+01 mv 2 95 36 159 0 - -1 e 1 292 etot 1.8697E+20 mv 2 95 183 93 0 - 4 e 214 274 etot -6.7826E+01 mv 2 95 79 -113 0 - 4 e 488 252 etot -6.6906E+01 mv 2 95 1 -52 0 - 4 e 288 268 etot -7.5294E+01 mv 2 95 139 33 0 - 4 e 711 234 etot -7.6073E+01 mv 2 95 184 -115 0 - 4 e 499 251 etot -7.7232E+01 mv 2 95 1 43 0 - 4 e 148 285 etot -8.8871E+01 mv 2 95 196 20 0 - 4 e 131 288 etot -8.8097E+01 mv 2 95 124 197 0 - 4 e 287 277 etot -8.6313E+01 mv 2 95 47 194 0 - 4 e 425 250 etot -7.9955E+01 mv 2 95 36 -119 0 - 4 e 420 266 etot -7.6937E+01 mv 2 95 139 50 0 - 4 e 420 267 etot -8.1433E+01 mv 2 95 139 -2 0 - 4 e 203 286 etot -7.0037E+01 mv 2 95 124 -2 0 - 4 e 244 272 etot -7.0087E+01 mv 2 95 79 23 0 - 4 e 264 270 etot -7.5294E+01 mv 2 95 139 78 0 - 4 e 245 284 etot -6.8156E+01 mv 2 95 196 -44 0 - 4 e 506 265 etot -8.1695E+01 mv 2 95 153 -195 0 - 4 e 377 275 etot -8.4712E+01 mv 2 95 79 144 0 - 4 e 422 260 etot -7.8265E+01 mv 2 95 200 -96 0 - 4 e 292 287 etot -8.6434E+01 mv 2 95 124 -92 0 - 4 e 272 289 etot -7.7498E+01 mv 2 95 124 -160 0 - 4 e 361 283 etot -8.8826E+01 mv 2 95 196 150 0 - 4 e 250 298 etot -8.7411E+01 mv 2 95 174 -19 0 - 4 e 475 273 etot -8.0617E+01 mv 2 95 79 -110 0 - 4 e 170 303 etot -8.5108E+01 mv 1 95 15 -54 0 - 4 e 424 280 etot -8.1219E+01 mv 2 95 47 75 0 - -1 e 1 318 etot 1.3528E+20 mv 1 95 17 -74 0 - -1 e 1 319 etot 1.3528E+20 mv 1 95 17 28 0 - 4 e 219 301 etot -8.3736E+01 mv 1 95 15 13 0 - 4 e 314 297 etot -8.5662E+01 mv 2 95 174 -121 0 - 4 e 342 291 etot -8.6066E+01 mv 2 95 183 192 0 - -1 e 1 323 etot 1.3528E+20 mv 1 95 24 12 0 - 4 e 362 293 etot -8.7601E+01 mv 2 95 183 -146 0 - 4 e 225 305 etot -8.4326E+01 mv 1 95 15 -170 0 - 4 e 505 264 etot -8.4179E+01 mv 2 95 153 -98 0 - 4 e 214 308 etot -8.4022E+01 mv 1 95 142 -57 0 - 4 e 432 269 etot -6.8267E+01 mv 2 95 139 -48 0 - 4 e 374 295 etot -7.9343E+01 mv 2 95 183 92 0 - 4 e 562 278 etot -8.2041E+01 mv 2 95 47 -129 0 - 4 e 326 300 etot -8.7411E+01 mv 2 95 174 -171 0 - 4 e 276 309 etot -7.1817E+01 mv 1 95 142 -33 0 - 4 e 467 294 etot -8.7602E+01 mv 2 95 183 77 0 - 4 e 456 279 etot -8.6313E+01 mv 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etot -9.0745E+01 mv 1 95 3 -137 0 - 4 e 372 325 etot -8.9617E+01 mv 1 95 24 -6 0 - 4 e 274 334 etot -8.9224E+01 mv 1 95 184 -123 0 - 4 e 314 333 etot -9.0193E+01 mv 1 95 184 121 0 - 4 e 239 336 etot -8.9446E+01 mv 1 95 168 -157 0 - 4 e 163 348 etot -8.8215E+01 mv 1 95 36 109 0 - 4 e 487 302 etot -7.5847E+01 mv 1 95 15 184 0 - 4 e 455 307 etot -7.8718E+01 mv 1 95 142 -150 0 - 4 e 289 341 etot -7.5192E+01 mv 1 95 107 131 0 - 4 e 459 326 etot -8.2606E+01 mv 1 95 3 -147 0 - 4 e 291 343 etot -7.3661E+01 mv 1 95 107 87 0 - 4 e 221 350 etot -8.4833E+01 mv 1 95 36 -100 0 - 4 e 246 335 etot -9.0193E+01 mv 1 95 184 -98 0 - 4 e 290 346 etot -8.0674E+01 mv 1 95 36 82 0 - 4 e 102 361 etot -8.8055E+01 mv 1 95 153 95 0 - 4 e 192 356 etot -8.8060E+01 mv 1 95 200 56 0 - 4 e 574 321 etot -8.5844E+01 mv 1 95 24 -187 0 - -1 e 1 372 etot 1.3528E+20 mv 1 95 79 125 0 - 4 e 362 327 etot -9.0744E+01 mv 1 95 3 -45 0 - 4 e 493 332 etot -8.0004E+01 mv 1 95 184 -137 0 - -1 e 1 374 etot 1.3528E+20 mv 1 95 79 -47 0 - 4 e 369 329 etot -8.7376E+01 mv 1 95 3 54 0 - 4 e 315 351 etot -8.7063E+01 mv 1 95 1 -66 0 - 4 e 190 360 etot -8.8060E+01 mv 1 95 200 146 0 - 4 e 138 366 etot -8.8359E+01 mv 1 95 139 -28 0 - 4 e 609 331 etot -7.7158E+01 mv 1 95 184 -122 0 - 4 e 308 340 etot -8.9341E+01 mv 1 95 168 -187 0 - 4 e 295 345 etot -8.6434E+01 mv 1 95 107 5 0 - 4 e 455 339 etot -8.9315E+01 mv 1 95 168 200 0 - 4 e 453 342 etot -8.3658E+01 mv 1 95 107 -47 0 - 4 e 288 358 etot -8.8060E+01 mv 1 95 200 62 0 - 4 e 369 353 etot -8.5454E+01 mv 1 95 1 -146 0 - -1 e 1 387 etot 1.3528E+20 mv 1 95 124 77 0 - 4 e 457 347 etot -7.5812E+01 mv 1 95 36 -183 0 - 4 e 436 349 etot -8.7536E+01 mv 1 95 36 -22 0 - 4 e 337 357 etot -8.7242E+01 mv 1 95 200 -116 0 - 4 e 184 363 etot -8.8055E+01 mv 1 95 153 -59 0 - 4 e 219 370 etot -8.8359E+01 mv 1 95 139 -177 0 - 4 e 169 378 etot -8.6424E+01 mv 1 95 47 74 0 - 4 e 221 373 etot -8.8134E+01 mv 1 95 79 -160 0 - 4 e 221 375 etot -8.9605E+01 mv 1 95 79 115 0 - 4 e 109 383 etot -8.7098E+01 mv 1 95 196 -70 0 - 4 e 199 380 etot -8.7800E+01 mv 1 95 47 -5 0 - 4 e 194 381 etot -8.8871E+01 mv 1 95 196 43 0 - 4 e 490 354 etot -8.0596E+01 mv 1 95 1 200 0 - 4 e 157 388 etot -8.8097E+01 mv 1 95 124 98 0 - 4 e 361 367 etot -8.8358E+01 mv 1 95 139 28 0 - 4 e 186 390 etot -8.8097E+01 mv 1 95 124 83 0 - 4 e 371 369 etot -8.5281E+01 mv 1 95 139 -62 0 - 4 e 265 368 etot -8.8359E+01 mv 1 95 139 48 0 - 4 e 510 359 etot -8.8058E+01 mv 1 95 200 181 0 - 4 e 2 406 etot -9.0746E+01 mv 0 95 3 0 0 - 4 e 2 405 etot -9.0761E+01 mv 0 95 24 0 0 - 4 e 73 401 etot -8.5108E+01 mv 0 95 15 0 0 c 15 0.5 0.0 - 4 e 17 407 etot -9.0194E+01 mv 0 95 184 0 0 c 184 0.0 0.0 - 4 e 2 410 etot -8.8216E+01 mv 0 95 36 0 0 - 4 e 274 384 etot -8.8870E+01 mv 1 95 196 134 0 - 4 e 2 411 etot -8.8115E+01 mv 0 95 1 0 0 - 4 e 2 413 etot -8.8055E+01 mv 0 95 153 0 0 - 4 e 2 414 etot -8.8359E+01 mv 0 95 139 0 0 - 4 e 639 352 etot -8.8113E+01 mv 1 95 1 134 0 - 4 e 20 408 etot -8.9446E+01 mv 0 95 168 0 0 - 4 e 2 416 etot -8.7801E+01 mv 0 95 47 0 0 - 4 e 2 417 etot -8.8871E+01 mv 0 95 196 0 0 - 4 e 2 418 etot -8.8097E+01 mv 0 95 124 0 0 -## N0 total= 26 close= 10 far= 0 %acc 38.5 -## N1 total= 94 close= 0 far= 0 %acc 0.0 -## N2 total= 100 close= 1 far= 0 %acc 1.0 -## N3 total= 0 close= 0 far= 0 %acc 0.0 -## N4 total= 0 close= 0 far= 0 %acc 0.0 -## N5 total= 0 close= 0 far= 0 %acc 0.0 -## N6 total= 200 close= 8 far= 0 %acc 4.0 -## N7 total= 0 close= 0 far= 0 %acc 0.0 -## N8 total= 0 close= 0 far= 0 %acc 0.0 -## N9 total= 0 close= 0 far= 0 %acc 0.0 -##N10 total= 0 close= 0 far= 0 %acc 0.0 -##N11 total= 0 close= 0 far= 0 %acc 0.0 -##N12 total= 0 close= 0 far= 0 %acc 0.0 -##N13 total= 0 close= 0 far= 0 %acc 0.0 -##N14 total= 0 close= 0 far= 0 %acc 0.0 -##N15 total= 0 close= 0 far= 0 %acc 0.0 -##N16 total= 0 close= 0 far= 0 %acc 0.0 -##N17 total= 0 close= 0 far= 0 %acc 0.0 -##N18 total= 0 close= 0 far= 0 %acc 0.0 - Time for refresh 96 0.29 - make_var : nseed= 20 ntry= 420 - Time for make trial 97 0.06 -Nonsetup time 186.32 sec, Eval/s = 65144.08 -Time for iter 97 1.78 sec, Eval/s = 69231.96 - UPDATING 420 - 4 e 436 379 etot -8.6251E+01 mv 1 95 47 154 0 - 4 e 193 393 etot -8.7603E+01 mv 1 95 183 133 0 - 4 e 17 415 etot -8.9606E+01 mv 0 95 79 0 0 c 79 0.0 0.0 - 4 e 75 404 etot -8.5687E+01 mv 0 95 17 0 0 c 17 1.0 0.0 - 4 e 502 385 etot -8.8869E+01 mv 1 95 196 -155 0 - 4 e 608 355 etot -8.0064E+01 mv 1 95 1 -161 0 - 4 e 74 420 etot -8.7411E+01 mv 0 95 174 0 0 - 4 e 631 364 etot -8.7602E+01 mv 1 95 153 149 0 - 4 e 322 399 etot -7.0075E+01 mv 1 95 174 -37 0 - 4 e 121 403 etot -8.6045E+01 mv 0 95 149 0 0 - 4 e 639 365 etot -8.7948E+01 mv 1 95 153 160 0 - 4 e 138 412 etot -8.8060E+01 mv 0 95 200 0 0 - 4 e 226 391 etot -8.6138E+01 mv 1 95 183 -127 0 - 4 e 91 402 etot -8.4023E+01 mv 0 95 142 0 0 c 142 0.8 0.0 - 4 e 269 395 etot -8.7603E+01 mv 1 95 183 120 0 - -1 e 1 7 etot 1.3528E+20 mv 6 96 63 5 0 - 4 e 66 409 etot -8.9285E+01 mv 0 95 107 0 0 c 107 0.3 0.0 - 4 e 487 396 etot -8.6313E+01 mv 1 95 174 -65 0 - 4 e 515 371 etot -8.4710E+01 mv 1 95 79 -20 0 - 4 e 248 398 etot -7.4435E+01 mv 1 95 174 43 0 - 4 e 396 400 etot -7.8423E+01 mv 1 95 174 87 0 - 4 e 547 386 etot -8.8095E+01 mv 1 95 124 -18 0 - 4 e 255 389 etot -8.8025E+01 mv 1 95 124 -196 0 - 4 e 259 394 etot -8.7603E+01 mv 1 95 183 -60 0 - -1 e 1 16 etot 1.3528E+20 mv 6 96 91 105 0 - 4 e 292 377 etot -8.0267E+01 mv 1 95 47 118 0 - 4 e 244 392 etot -8.7602E+01 mv 1 95 183 41 0 - 4 e 520 382 etot -7.4338E+01 mv 1 95 196 -89 0 - 4 e 2 419 etot -8.7603E+01 mv 0 95 183 0 0 - 4 e 253 397 etot -7.4435E+01 mv 1 95 174 -151 0 - 4 e 601 338 etot -8.9445E+01 mv 1 95 168 -88 0 - 4 e 350 362 etot -8.0476E+01 mv 1 95 153 -171 0 - 4 e 430 376 etot -8.3276E+01 mv 1 95 47 -14 0 - 4 e 221 4 etot -8.4066E+01 mv 6 96 63 127 0 - 4 e 204 15 etot -8.5863E+01 mv 6 96 91 2 0 c 91 1.3 0.0 - 4 e 213 30 etot -8.6190E+01 mv 6 96 149 66 0 c 149 1.2 0.0 - 4 e 208 29 etot -8.4326E+01 mv 6 96 149 73 0 - 4 e 227 17 etot -7.9918E+01 mv 6 96 91 38 0 - 4 e 271 5 etot -7.9618E+01 mv 6 96 63 134 0 - 4 e 264 8 etot -7.2281E+01 mv 6 96 63 56 0 - 4 e 260 32 etot -8.4282E+01 mv 6 96 62 67 0 - 4 e 259 10 etot -8.5066E+01 mv 6 96 63 73 0 c 63 5.6 0.0 - 4 e 280 27 etot -7.8157E+01 mv 6 96 149 125 0 - 4 e 267 23 etot -8.6190E+01 mv 6 96 149 151 0 - 4 e 316 2 etot -7.6554E+01 mv 6 96 63 181 0 - 4 e 297 20 etot -8.5595E+01 mv 6 96 91 130 0 - 4 e 306 12 etot -7.7222E+01 mv 6 96 91 140 0 - 4 e 323 31 etot -8.4572E+01 mv 6 96 62 20 0 - 4 e 328 28 etot -8.6829E+01 mv 6 96 149 89 0 - 4 e 320 21 etot -8.6189E+01 mv 6 96 149 137 0 - -1 e 1 50 etot 1.3528E+20 mv 6 96 3 48 0 - 4 e 333 22 etot -8.6235E+01 mv 6 96 149 35 0 - 4 e 368 33 etot -7.1989E+01 mv 6 96 62 80 0 - -1 e 1 53 etot 1.3528E+20 mv 6 96 24 12 0 - 4 e 341 14 etot -7.2641E+01 mv 6 96 91 180 0 - 4 e 429 6 etot -8.1044E+01 mv 6 96 63 38 0 - -1 e 1 55 etot 1.3528E+20 mv 6 96 24 23 0 - -1 e 1 57 etot 1.3528E+20 mv 6 96 24 155 0 - 4 e 362 13 etot -8.3915E+01 mv 6 96 91 188 0 - 4 e 360 11 etot 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etot -8.8115E+01 mv 0 96 1 0 0 - 4 e 287 384 etot -6.6114E+01 mv 1 96 163 -19 0 - 4 e 356 377 etot -8.7232E+01 mv 1 96 196 -17 0 - 4 e 2 413 etot -8.8055E+01 mv 0 96 153 0 0 - 4 e 2 414 etot -8.8050E+01 mv 0 96 88 0 0 - 4 e 2 416 etot -8.8871E+01 mv 0 96 196 0 0 - 4 e 14 412 etot -8.8060E+01 mv 0 96 200 0 0 c 200 0.0 0.0 - 4 e 209 382 etot -8.7792E+01 mv 1 96 163 69 0 - 4 e 2 418 etot -8.7603E+01 mv 0 96 183 0 0 -## N0 total= 20 close= 8 far= 0 %acc 40.0 -## N1 total= 100 close= 1 far= 0 %acc 1.0 -## N2 total= 100 close= 2 far= 0 %acc 2.0 -## N3 total= 0 close= 0 far= 0 %acc 0.0 -## N4 total= 0 close= 0 far= 0 %acc 0.0 -## N5 total= 0 close= 0 far= 0 %acc 0.0 -## N6 total= 200 close= 12 far= 1 %acc 6.5 -## N7 total= 0 close= 0 far= 0 %acc 0.0 -## N8 total= 0 close= 0 far= 0 %acc 0.0 -## N9 total= 0 close= 0 far= 0 %acc 0.0 -##N10 total= 0 close= 0 far= 0 %acc 0.0 -##N11 total= 0 close= 0 far= 0 %acc 0.0 -##N12 total= 0 close= 0 far= 0 %acc 0.0 -##N13 total= 0 close= 0 far= 0 %acc 0.0 -##N14 total= 0 close= 0 far= 0 %acc 0.0 -##N15 total= 0 close= 0 far= 0 %acc 0.0 -##N16 total= 0 close= 0 far= 0 %acc 0.0 -##N17 total= 0 close= 0 far= 0 %acc 0.0 -##N18 total= 0 close= 0 far= 0 %acc 0.0 - Time for refresh 97 0.29 - make_var : nseed= 20 ntry= 420 - Time for make trial 98 0.06 -Nonsetup time 188.12 sec, Eval/s = 65193.82 -Time for iter 98 1.79 sec, Eval/s = 70363.75 - UPDATING 420 - 4 e 38 417 etot -8.7793E+01 mv 0 96 163 0 0 - 4 e 539 388 etot -8.0499E+01 mv 1 96 183 -121 0 - 4 e 439 383 etot -7.4069E+01 mv 1 96 163 -52 0 - 4 e 462 386 etot -8.7602E+01 mv 1 96 183 -129 0 - 4 e 66 409 etot -8.9285E+01 mv 0 96 107 0 0 - 4 e 741 399 etot -7.4221E+01 mv 1 96 41 -68 0 - 4 e 574 400 etot -8.2048E+01 mv 1 96 41 -151 0 - 4 e 217 395 etot -8.7411E+01 mv 1 96 174 165 0 - 4 e 594 357 etot -8.8057E+01 mv 1 96 200 -186 0 - 4 e 469 369 etot -8.8047E+01 mv 1 96 88 -147 0 - 4 e 2 420 etot -8.7381E+01 mv 0 96 41 0 0 - 4 e 132 402 etot -8.5863E+01 mv 0 96 91 0 0 c 91 0.5 0.0 - 4 e 322 387 etot -8.7603E+01 mv 1 96 183 56 0 - 4 e 310 385 etot -8.7791E+01 mv 1 96 163 151 0 - 4 e 139 401 etot -8.5067E+01 mv 0 96 63 0 0 - 4 e 605 378 etot -8.1705E+01 mv 1 96 196 197 0 - 4 e 245 398 etot -8.6975E+01 mv 1 96 41 34 0 - 4 e 17 415 etot -8.9606E+01 mv 0 96 79 0 0 - 4 e 119 403 etot -8.6190E+01 mv 0 96 149 0 0 c 149 1.1 0.0 - 4 e 545 367 etot -8.3114E+01 mv 1 96 88 149 0 - 4 e 221 391 etot -8.7411E+01 mv 1 96 174 -27 0 - 4 e 277 397 etot -8.6679E+01 mv 1 96 41 66 0 - 4 e 565 365 etot -8.1799E+01 mv 1 96 153 -57 0 - 4 e 261 380 etot -8.8871E+01 mv 1 96 196 141 0 - 4 e 565 349 etot -8.3473E+01 mv 1 96 36 -77 0 - 4 e 514 394 etot -8.7409E+01 mv 1 96 174 178 0 - 4 e 314 392 etot -8.7286E+01 mv 1 96 174 50 0 - 4 e 410 359 etot -8.0115E+01 mv 1 96 200 174 0 - 4 e 308 389 etot -8.7603E+01 mv 1 96 183 96 0 - 4 e 15 419 etot -8.7411E+01 mv 0 96 174 0 0 c 174 0.0 0.0 - -1 e 1 23 etot 1.3528E+20 mv 6 97 46 122 0 - 4 e 181 393 etot -8.7411E+01 mv 1 96 174 -59 0 - 4 e 181 2 etot -9.0850E+01 mv 6 97 3 86 0 c 3 1.1 0.0 - 4 e 225 7 etot -7.9273E+01 mv 6 97 3 156 0 - 4 e 202 30 etot -8.6812E+01 mv 6 97 46 147 0 c 46 1.2 0.0 - 4 e 199 21 etot -8.8215E+01 mv 6 97 46 158 0 - -1 e 1 36 etot 1.3528E+20 mv 6 97 63 22 0 - -1 e 1 35 etot 1.3528E+20 mv 6 97 63 3 0 - -1 e 1 38 etot 1.3528E+20 mv 6 97 63 80 0 - -1 e 1 39 etot 1.3528E+20 mv 6 97 63 106 0 - 4 e 230 1 etot -8.3474E+01 mv 6 97 3 7 0 - 4 e 176 10 etot -7.0122E+01 mv 6 97 3 5 0 - 4 e 225 32 etot -8.5080E+01 mv 6 97 63 109 0 - 4 e 237 29 etot -7.8789E+01 mv 6 97 46 180 0 - 4 e 224 16 etot -8.3694E+01 mv 6 97 6 71 0 c 6 3.6 0.0 - -1 e 1 45 etot 6.5509E+24 mv 6 97 67 87 0 - 4 e 237 25 etot -7.4854E+01 mv 6 97 46 14 0 - 4 e 234 20 etot -8.6340E+01 mv 6 97 6 140 0 - 4 e 274 6 etot -9.1920E+01 mv 6 97 3 44 0 - 4 e 260 26 etot -7.1788E+01 mv 6 97 46 117 0 - 4 e 240 14 etot -8.3196E+01 mv 6 97 6 170 0 - -1 e 1 50 etot 1.3528E+20 mv 6 97 67 61 0 - 4 e 298 4 etot -9.1920E+01 mv 6 97 3 78 0 - 4 e 255 19 etot -7.8176E+01 mv 6 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mv 6 97 46 60 0 - 4 e 271 44 etot -9.1042E+01 mv 6 97 67 16 0 c 67 99.0 0.1 - 4 e 483 3 etot -8.2294E+01 mv 6 97 3 178 0 - 4 e 522 9 etot -7.7990E+01 mv 6 97 3 37 0 - 4 e 519 28 etot -8.4375E+01 mv 6 97 46 96 0 - 4 e 487 15 etot -7.8231E+01 mv 6 97 6 16 0 - 4 e 333 40 etot -8.6092E+01 mv 6 97 63 25 0 - 4 e 231 62 etot -8.3672E+01 mv 6 97 68 131 0 - 4 e 538 34 etot -8.5675E+01 mv 6 97 63 37 0 - 4 e 552 8 etot -7.1486E+01 mv 6 97 3 195 0 - 4 e 367 37 etot -8.1032E+01 mv 6 97 63 38 0 - -1 e 1 85 etot 1.3528E+20 mv 6 97 184 83 0 - 4 e 258 61 etot -7.2683E+01 mv 6 97 68 85 0 - 4 e 301 59 etot -7.6882E+01 mv 6 97 163 23 0 - 4 e 283 66 etot -7.7446E+01 mv 6 97 68 99 0 - 4 e 382 52 etot -8.4616E+01 mv 6 97 163 102 0 - 4 e 331 57 etot -7.6556E+01 mv 6 97 163 39 0 - 4 e 312 67 etot -7.9652E+01 mv 6 97 68 52 0 - 4 e 387 60 etot -7.0246E+01 mv 6 97 163 101 0 - 4 e 372 56 etot -8.3216E+01 mv 6 97 163 77 0 - -1 e 1 94 etot 1.3528E+20 mv 6 97 107 162 0 - 4 e 180 80 etot -9.0761E+01 mv 6 97 24 117 0 - 4 e 282 65 etot -7.9519E+01 mv 6 97 68 118 0 - 4 e 224 71 etot -8.7772E+01 mv 6 97 24 36 0 - 4 e 12 96 etot -8.4942E+01 mv 6 97 107 65 0 c 65 0.0 0.0 - 4 e 459 48 etot -8.3609E+01 mv 6 97 67 170 0 - 4 e 236 78 etot -7.4248E+01 mv 6 97 24 91 0 - 4 e 320 77 etot -8.8917E+01 mv 6 97 24 61 0 - 4 e 371 68 etot -8.3888E+01 mv 6 97 68 104 0 - 4 e 510 64 etot -7.8631E+01 mv 6 97 68 5 0 - 4 e 502 46 etot -8.4898E+01 mv 6 97 67 156 0 - 4 e 238 89 etot -7.2789E+01 mv 6 97 184 72 0 - 4 e 503 55 etot -7.1107E+01 mv 6 97 163 12 0 - 4 e 358 69 etot -7.6745E+01 mv 6 97 68 11 0 - 4 e 338 70 etot -7.9441E+01 mv 6 97 68 86 0 - 4 e 353 83 etot -8.7364E+01 mv 6 97 184 90 0 - 4 e 639 63 etot -8.0496E+01 mv 6 97 68 13 0 - 4 e 236 98 etot -8.9074E+01 mv 6 97 107 161 0 - 4 e 252 99 etot -7.1919E+01 mv 6 97 107 85 0 - 4 e 2 113 etot -8.4951E+01 mv 6 97 196 12 0 - 4 e 497 72 etot -8.4993E+01 mv 6 97 24 38 0 - 4 e 480 74 etot -7.2817E+01 mv 6 97 24 155 0 - 4 e 322 97 etot -8.9284E+01 mv 6 97 107 182 0 - 4 e 400 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77 0 - 4 e 243 158 etot -8.5839E+01 mv 6 97 183 150 0 - 4 e 315 138 etot -8.9074E+01 mv 6 97 200 161 0 - 4 e 510 128 etot -8.3539E+01 mv 6 97 122 148 0 - 4 e 157 169 etot -7.7595E+01 mv 6 97 161 70 0 - 4 e 316 159 etot -8.7602E+01 mv 6 97 183 161 0 - -1 e 1 185 etot 1.3528E+20 mv 6 97 174 192 0 - 4 e 400 136 etot -7.9164E+01 mv 6 97 200 114 0 - 4 e 263 164 etot -8.8687E+01 mv 6 97 161 140 0 - 4 e 330 147 etot -7.6649E+01 mv 6 97 139 194 0 - 4 e 415 152 etot -8.1608E+01 mv 6 97 183 27 0 - 4 e 10 188 etot -8.8415E+01 mv 6 97 174 100 0 c 100 0.0 0.0 - 4 e 588 139 etot -8.3782E+01 mv 6 97 200 160 0 - 4 e 463 134 etot -7.8207E+01 mv 6 97 200 121 0 - 4 e 259 174 etot -8.8097E+01 mv 6 97 124 41 0 - 4 e 311 167 etot -6.7617E+01 mv 6 97 161 190 0 - 4 e 437 161 etot -8.1139E+01 mv 6 97 161 1 0 - 4 e 2 196 etot -8.8055E+01 mv 6 97 48 153 0 - 4 e 213 183 etot -8.7191E+01 mv 6 97 174 179 0 - 4 e 19 197 etot -8.5319E+01 mv 6 97 48 118 0 c 118 0.0 0.0 - 4 e 516 154 etot -7.5459E+01 mv 6 97 183 178 0 - 4 e 291 179 etot -8.5863E+01 mv 6 97 124 140 0 - 4 e 343 172 etot -7.5950E+01 mv 6 97 124 161 0 - 4 e 375 170 etot -8.3317E+01 mv 6 97 161 12 0 - 4 e 442 165 etot -8.2333E+01 mv 6 97 161 158 0 - 4 e 359 177 etot -8.8206E+01 mv 6 97 124 118 0 - 4 e 484 162 etot -7.6296E+01 mv 6 97 161 7 0 - 4 e 386 156 etot -9.0484E+01 mv 6 97 183 152 0 - 4 e 220 186 etot -8.6647E+01 mv 6 97 174 171 0 - 4 e 268 184 etot -7.3469E+01 mv 6 97 174 140 0 - 4 e 373 178 etot -7.5129E+01 mv 6 97 124 188 0 - 4 e 332 181 etot -8.1338E+01 mv 6 97 174 123 0 - -1 e 1 211 etot 1.3528E+20 mv 2 97 46 79 0 - 4 e 420 155 etot -8.4070E+01 mv 6 97 183 19 0 - 4 e 770 146 etot -8.6540E+01 mv 6 97 139 35 0 - 4 e 257 182 etot -7.9931E+01 mv 6 97 174 82 0 - 4 e 474 176 etot -8.4731E+01 mv 6 97 124 21 0 - 4 e 535 171 etot -7.5733E+01 mv 6 97 124 68 0 - -1 e 1 217 etot 1.3528E+20 mv 2 97 63 122 0 - 4 e 478 175 etot -8.1769E+01 mv 6 97 124 170 0 - 4 e 184 201 etot -9.0850E+01 mv 2 97 3 59 0 - 4 e 243 195 etot -8.4675E+01 mv 6 97 48 169 0 - 4 e 343 190 etot -7.9086E+01 mv 6 97 174 81 0 - 4 e 175 204 etot -9.0850E+01 mv 2 97 3 180 0 - 4 e 252 187 etot -7.9772E+01 mv 6 97 174 107 0 - 4 e 556 173 etot -8.5861E+01 mv 6 97 124 91 0 - 4 e 247 198 etot -8.7700E+01 mv 6 97 48 128 0 - 4 e 565 150 etot -7.8769E+01 mv 6 97 139 51 0 - 4 e 401 191 etot -7.6314E+01 mv 6 97 48 197 0 - 4 e 227 205 etot -9.0850E+01 mv 2 97 3 -72 0 - 4 e 381 180 etot -8.3894E+01 mv 6 97 124 181 0 - 4 e 270 208 etot -8.3694E+01 mv 2 97 6 -155 0 - 4 e 161 216 etot -8.5677E+01 mv 2 97 63 157 0 c 63 0.8 0.0 - 4 e 270 209 etot -8.2179E+01 mv 2 97 6 -129 0 - 4 e 425 194 etot -7.4811E+01 mv 6 97 48 72 0 - 4 e 151 221 etot -6.7954E+01 mv 2 97 67 68 0 - 8 e 37 230 etot -6.3989E+01 mv 2 97 163 194 0 - 4 e 493 192 etot -8.7698E+01 mv 6 97 48 39 0 - 4 e 298 212 etot -7.4661E+01 mv 2 97 46 199 0 - 4 e 365 203 etot -7.8257E+01 mv 2 97 3 46 0 - 4 e 402 199 etot -8.4605E+01 mv 6 97 48 161 0 - 4 e 416 200 etot -7.1977E+01 mv 6 97 48 132 0 - 4 e 205 222 etot 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0 - 4 e 218 265 etot -8.8104E+01 mv 2 97 122 4 0 - -1 e 1 284 etot 1.3528E+20 mv 2 97 161 -193 0 - 4 e 240 255 etot -7.3276E+01 mv 2 97 1 -66 0 - 4 e 483 243 etot -7.8804E+01 mv 2 97 184 -136 0 - 4 e 548 215 etot -6.8515E+01 mv 2 97 46 -147 0 - 4 e 431 246 etot -8.5028E+01 mv 2 97 107 179 0 - 4 e 413 252 etot -7.7752E+01 mv 2 97 1 -33 0 - 4 e 256 268 etot -8.8060E+01 mv 2 97 200 110 0 - -1 e 1 291 etot 1.3528E+20 mv 2 97 174 -127 0 - 8 e 450 247 etot -6.3986E+01 mv 2 97 107 -149 0 - -1 e 1 293 etot 1.3528E+20 mv 2 97 174 -187 0 - -1 e 1 294 etot 1.3528E+20 mv 2 97 174 -186 0 - 4 e 462 249 etot -6.7949E+01 mv 2 97 107 -114 0 - 4 e 286 270 etot -8.7310E+01 mv 2 97 200 -48 0 - 4 e 258 275 etot -8.2126E+01 mv 2 97 139 189 0 - 4 e 167 285 etot -8.9075E+01 mv 2 97 161 114 0 - 4 e 416 263 etot -8.7523E+01 mv 2 97 122 99 0 - 4 e 476 258 etot -6.7059E+01 mv 2 97 196 -181 0 - 8 e 31 298 etot -6.3998E+01 mv 2 97 48 -130 0 - 4 e 329 272 etot -7.7480E+01 mv 2 97 139 -166 0 - 4 e 155 290 etot 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etot -7.8647E+01 mv 1 97 63 192 0 - 4 e 245 326 etot -8.7894E+01 mv 1 97 163 15 0 c 163 1.9 0.0 - 8 e 27 345 etot -6.3992E+01 mv 1 97 184 188 0 - 4 e 305 325 etot -9.0930E+01 mv 1 97 67 -190 0 - 4 e 424 316 etot -7.7041E+01 mv 1 97 63 -9 0 - 4 e 522 310 etot -7.8974E+01 mv 1 97 6 147 0 - 4 e 368 322 etot -9.0929E+01 mv 1 97 67 110 0 - 4 e 148 340 etot -9.0761E+01 mv 1 97 24 175 0 - 4 e 725 296 etot -7.5969E+01 mv 2 97 48 133 0 - 4 e 599 283 etot -7.9389E+01 mv 2 97 161 31 0 - 4 e 306 330 etot -8.7894E+01 mv 1 97 163 -62 0 - 4 e 345 328 etot -8.7114E+01 mv 1 97 163 47 0 - 4 e 306 331 etot -8.2981E+01 mv 1 97 68 30 0 - 4 e 291 333 etot -8.3672E+01 mv 1 97 68 -43 0 - 4 e 399 309 etot -8.3692E+01 mv 1 97 6 130 0 - 4 e 394 311 etot -7.7033E+01 mv 1 97 46 95 0 - 4 e 536 317 etot -7.5503E+01 mv 1 97 63 -65 0 - 4 e 314 334 etot -8.3672E+01 mv 1 97 68 72 0 - 4 e 207 335 etot -8.3673E+01 mv 1 97 68 -86 0 - 4 e 273 338 etot -8.6469E+01 mv 1 97 24 -21 0 - 4 e 405 312 etot -8.2718E+01 mv 1 97 46 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-6.8894E+01 mv 1 97 196 -144 0 - 4 e 200 368 etot -8.8060E+01 mv 1 97 200 81 0 - 4 e 395 348 etot -8.0455E+01 mv 1 97 107 -82 0 - 4 e 197 360 etot -8.8871E+01 mv 1 97 196 117 0 - 4 e 426 351 etot -8.4361E+01 mv 1 97 1 71 0 - 4 e 218 372 etot -8.8359E+01 mv 1 97 139 130 0 - 4 e 443 352 etot -8.7814E+01 mv 1 97 1 167 0 - 4 e 421 353 etot -8.1284E+01 mv 1 97 1 -189 0 - 4 e 389 361 etot -8.8103E+01 mv 1 97 122 -170 0 - 4 e 255 374 etot -8.8359E+01 mv 1 97 139 28 0 - 4 e 357 366 etot -8.8058E+01 mv 1 97 200 117 0 - 4 e 281 363 etot -8.7837E+01 mv 1 97 122 -117 0 - 4 e 161 385 etot -8.9075E+01 mv 1 97 161 181 0 - 4 e 520 350 etot -7.8739E+01 mv 1 97 107 -136 0 - 4 e 323 369 etot -8.8059E+01 mv 1 97 200 -103 0 - -1 e 1 400 etot 2.2610E+36 mv 1 97 48 -5 0 - 4 e 836 329 etot -7.5134E+01 mv 1 97 163 -140 0 - 4 e 291 380 etot -8.4243E+01 mv 1 97 183 5 0 - 4 e 299 365 etot -8.5596E+01 mv 1 97 122 113 0 - 4 e 311 377 etot -8.6138E+01 mv 1 97 183 -26 0 - 4 e 78 401 etot -9.0850E+01 mv 0 97 3 0 0 c 3 0.3 0.0 - 4 e 457 367 etot -7.6447E+01 mv 1 97 200 69 0 - 4 e 368 375 etot -6.7227E+01 mv 1 97 139 -179 0 - 4 e 2 408 etot -9.0761E+01 mv 0 97 24 0 0 - 4 e 229 378 etot -8.6971E+01 mv 1 97 183 172 0 - 4 e 10 407 etot -8.3673E+01 mv 0 97 68 0 0 c 68 0.0 0.0 - 4 e 414 370 etot -7.4508E+01 mv 1 97 200 182 0 - 4 e 2 411 etot -8.8115E+01 mv 0 97 1 0 0 - 4 e 2 412 etot -8.8871E+01 mv 0 97 196 0 0 - 4 e 10 409 etot -9.0194E+01 mv 0 97 184 0 0 c 184 0.0 0.0 - 4 e 528 364 etot -7.9985E+01 mv 1 97 122 74 0 - 4 e 2 413 etot -8.8104E+01 mv 0 97 122 0 0 - 4 e 2 415 etot -8.8359E+01 mv 0 97 139 0 0 - 4 e 2 416 etot -8.7603E+01 mv 0 97 183 0 0 - 4 e 2 417 etot -8.9075E+01 mv 0 97 161 0 0 -## N0 total= 18 close= 6 far= 0 %acc 33.3 -## N1 total= 102 close= 3 far= 0 %acc 2.9 -## N2 total= 100 close= 2 far= 0 %acc 2.0 -## N3 total= 0 close= 0 far= 0 %acc 0.0 -## N4 total= 0 close= 0 far= 0 %acc 0.0 -## N5 total= 0 close= 0 far= 0 %acc 0.0 -## N6 total= 200 close= 10 far= 1 %acc 5.5 -## N7 total= 0 close= 0 far= 0 %acc 0.0 -## N8 total= 0 close= 0 far= 0 %acc 0.0 -## N9 total= 0 close= 0 far= 0 %acc 0.0 -##N10 total= 0 close= 0 far= 0 %acc 0.0 -##N11 total= 0 close= 0 far= 0 %acc 0.0 -##N12 total= 0 close= 0 far= 0 %acc 0.0 -##N13 total= 0 close= 0 far= 0 %acc 0.0 -##N14 total= 0 close= 0 far= 0 %acc 0.0 -##N15 total= 0 close= 0 far= 0 %acc 0.0 -##N16 total= 0 close= 0 far= 0 %acc 0.0 -##N17 total= 0 close= 0 far= 0 %acc 0.0 -##N18 total= 0 close= 0 far= 0 %acc 0.0 - Time for refresh 98 0.36 - make_var : nseed= 20 ntry= 420 - Time for make trial 99 0.05 -Nonsetup time 189.95 sec, Eval/s = 65194.52 -Time for iter 99 1.84 sec, Eval/s = 65265.29 - UPDATING 420 - 4 e 150 405 etot -9.0931E+01 mv 0 97 67 0 0 - 4 e 11 414 etot -8.8060E+01 mv 0 97 200 0 0 c 200 0.0 0.0 - 4 e 396 376 etot -8.6647E+01 mv 1 97 183 64 0 - 4 e 493 388 etot -8.8096E+01 mv 1 97 124 -145 0 - 4 e 316 399 etot -8.7126E+01 mv 1 97 48 124 0 - 4 e 212 394 etot -8.7326E+01 mv 1 97 174 91 0 - 4 e 367 382 etot -8.9072E+01 mv 1 97 161 62 0 - 4 e 77 403 etot -8.6812E+01 mv 0 97 46 0 0 c 46 1.2 0.0 - 4 e 86 406 etot -8.7894E+01 mv 0 97 163 0 0 c 163 1.0 0.0 - 4 e 357 381 etot -8.5958E+01 mv 1 97 161 56 0 - 4 e 15 419 etot -8.7411E+01 mv 0 97 174 0 0 - 4 e 315 390 etot -8.7839E+01 mv 1 97 124 133 0 - 4 e 290 396 etot -8.3612E+01 mv 1 97 48 -87 0 - 4 e 2 418 etot -8.8097E+01 mv 0 97 124 0 0 - 4 e 10 420 etot -8.7700E+01 mv 0 97 48 0 0 c 48 0.0 0.0 - 4 e 247 393 etot -8.7411E+01 mv 1 97 174 112 0 - 4 e 471 398 etot -6.7015E+01 mv 1 97 48 -123 0 - 4 e 117 402 etot -8.3694E+01 mv 0 97 6 0 0 - 4 e 367 384 etot -8.7582E+01 mv 1 97 161 -143 0 - 4 e 497 387 etot -8.8024E+01 mv 1 97 124 15 0 - 4 e 246 391 etot -8.7411E+01 mv 1 97 174 18 0 - 4 e 246 395 etot -8.7411E+01 mv 1 97 174 -137 0 - 4 e 214 392 etot -8.7411E+01 mv 1 97 174 -190 0 - 4 e 18 410 etot -8.9285E+01 mv 0 97 107 0 0 c 107 0.0 0.0 - 4 e 103 404 etot -8.5677E+01 mv 0 97 63 0 0 c 63 0.7 0.0 - 4 e 395 386 etot -8.8392E+01 mv 1 97 124 -76 0 c 124 38.1 0.3 - 4 e 292 383 etot -8.8505E+01 mv 1 97 161 95 0 - -1 e 1 20 etot 1.3528E+20 mv 6 98 67 185 0 - 4 e 329 371 etot -8.8288E+01 mv 1 97 139 158 0 - 4 e 334 389 etot -7.3248E+01 mv 1 97 124 -127 0 - 4 e 473 354 etot -8.2436E+01 mv 1 97 1 -112 0 - -1 e 1 25 etot 1.3528E+20 mv 6 98 164 4 0 - -1 e 1 26 etot 1.3528E+20 mv 6 98 164 119 0 - 4 e 319 397 etot -8.0579E+01 mv 1 97 48 83 0 - -1 e 1 33 etot 1.3528E+20 mv 6 98 115 30 0 - -1 e 1 34 etot 1.3528E+20 mv 6 98 115 91 0 - 4 e 202 12 etot -7.8506E+01 mv 6 98 67 190 0 - 4 e 224 24 etot -7.6463E+01 mv 6 98 164 61 0 - 4 e 212 5 etot -8.4126E+01 mv 6 98 6 22 0 c 6 54.0 0.2 - 4 e 249 19 etot -9.1042E+01 mv 6 98 67 89 0 - 4 e 263 9 etot -8.8050E+01 mv 6 98 6 88 0 - 4 e 275 21 etot -7.5400E+01 mv 6 98 164 172 0 - 4 e 268 4 etot -7.9669E+01 mv 6 98 6 138 0 - 4 e 288 29 etot -8.2538E+01 mv 6 98 164 75 0 - 4 e 285 8 etot -8.3903E+01 mv 6 98 6 39 0 - 4 e 284 16 etot -9.1042E+01 mv 6 98 67 132 0 - 4 e 296 6 etot -8.0626E+01 mv 6 98 6 25 0 - 4 e 15 45 etot 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0 - 4 e 272 266 etot -8.8059E+01 mv 2 98 200 83 0 - 4 e 195 276 etot -8.7894E+01 mv 2 98 163 79 0 - 4 e 452 253 etot -8.8268E+01 mv 2 98 59 79 0 - 4 e 562 245 etot -8.8628E+01 mv 2 98 196 169 0 - 4 e 425 257 etot -8.2538E+01 mv 2 98 161 -32 0 - 4 e 155 291 etot -8.7411E+01 mv 2 98 174 1 0 - 4 e 304 278 etot -8.1582E+01 mv 2 98 163 -26 0 - 4 e 335 275 etot -8.2538E+01 mv 2 98 139 154 0 - 4 e 400 269 etot -7.6595E+01 mv 2 98 200 91 0 - 4 e 273 281 etot -8.6434E+01 mv 2 98 124 150 0 c 102 228.2 1.2 - 4 e 280 284 etot -8.7459E+01 mv 2 98 124 13 0 - 4 e 197 294 etot -6.7447E+01 mv 2 98 174 -119 0 - 4 e 295 285 etot -8.8097E+01 mv 2 98 124 -179 0 - 4 e 340 279 etot -6.9204E+01 mv 2 98 163 129 0 - 4 e 506 258 etot -8.6442E+01 mv 2 98 161 -16 0 - 4 e 193 299 etot -8.7381E+01 mv 2 98 41 177 0 - 4 e 344 280 etot -8.7893E+01 mv 2 98 163 -46 0 - 4 e 427 256 etot -7.9204E+01 mv 2 98 161 -1 0 - 4 e 265 282 etot -7.5387E+01 mv 2 98 124 13 0 - -1 e 1 317 etot 1.3528E+20 mv 1 98 115 179 0 - 4 e 246 300 etot -8.6975E+01 mv 2 98 41 -109 0 - 4 e 230 301 etot -8.3904E+01 mv 1 98 6 -148 0 - 4 e 273 297 etot -8.4589E+01 mv 2 98 41 -51 0 - 4 e 169 307 etot -6.8026E+01 mv 1 98 67 -143 0 - 4 e 361 293 etot -8.4996E+01 mv 2 98 174 -128 0 - 4 e 219 304 etot -8.3903E+01 mv 1 98 6 137 0 - 4 e 602 270 etot -8.1095E+01 mv 2 98 200 71 0 - 4 e 161 313 etot -8.3710E+01 mv 1 98 164 -120 0 - 4 e 358 298 etot -7.8272E+01 mv 2 98 41 -26 0 - 4 e 335 283 etot -8.4825E+01 mv 2 98 124 103 0 - 4 e 190 310 etot -6.6983E+01 mv 1 98 67 -193 0 - -1 e 1 329 etot 1.3528E+20 mv 1 98 184 127 0 - 4 e 236 308 etot -9.1042E+01 mv 1 98 67 155 0 - 4 e 253 305 etot -8.3903E+01 mv 1 98 6 -18 0 - 4 e 310 303 etot -8.3903E+01 mv 1 98 6 -137 0 - 4 e 282 296 etot -7.6857E+01 mv 2 98 41 132 0 - 4 e 506 286 etot -8.2824E+01 mv 2 98 183 -184 0 - 4 e 211 314 etot -8.3710E+01 mv 1 98 164 -192 0 - 4 e 492 263 etot -8.9189E+01 mv 2 98 122 141 0 - 4 e 288 306 etot -8.8316E+01 mv 1 98 67 -119 0 - 4 e 504 272 etot -7.8899E+01 mv 2 98 139 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mv 1 98 115 98 0 - 4 e 518 315 etot -8.2705E+01 mv 1 98 164 -9 0 - -1 e 1 361 etot 1.3528E+20 mv 1 98 122 -126 0 - 4 e 122 350 etot -6.3220E+01 mv 1 98 1 -54 0 - 4 e 180 339 etot -8.8215E+01 mv 1 98 36 -40 0 - 4 e 448 322 etot -7.9662E+01 mv 1 98 24 -174 0 - 4 e 621 287 etot -8.3450E+01 mv 2 98 183 177 0 - 4 e 368 338 etot -8.0467E+01 mv 1 98 36 32 0 - 4 e 504 323 etot -7.8406E+01 mv 1 98 24 -148 0 - 4 e 441 330 etot -7.8745E+01 mv 1 98 184 101 0 - 4 e 222 347 etot -7.1652E+01 mv 1 98 1 102 0 - 4 e 262 345 etot -8.5325E+01 mv 1 98 196 -15 0 - 4 e 307 340 etot -7.9911E+01 mv 1 98 36 -125 0 - -1 e 1 372 etot 1.3528E+20 mv 1 98 139 -153 0 - 4 e 288 337 etot -8.8172E+01 mv 1 98 36 -66 0 - 4 e 221 352 etot -8.8270E+01 mv 1 98 59 86 0 - 4 e 415 318 etot -8.2606E+01 mv 1 98 115 21 0 - 4 e 245 348 etot -8.8082E+01 mv 1 98 1 -28 0 - 4 e 605 319 etot -7.9179E+01 mv 1 98 115 -72 0 - 4 e 302 346 etot -8.8115E+01 mv 1 98 1 -68 0 - 4 e 495 333 etot -8.9282E+01 mv 1 98 107 -19 0 - 4 e 256 353 etot -8.8270E+01 mv 1 98 59 -125 0 - 4 e 294 351 etot -8.7872E+01 mv 1 98 59 -148 0 - 4 e 344 349 etot -8.7907E+01 mv 1 98 1 60 0 - 4 e 268 359 etot -8.9075E+01 mv 1 98 161 41 0 - 4 e 328 354 etot -8.7699E+01 mv 1 98 59 -103 0 - 4 e 302 343 etot -7.2282E+01 mv 1 98 196 -56 0 - 4 e 339 357 etot -8.7723E+01 mv 1 98 161 -184 0 - 4 e 189 370 etot -8.8060E+01 mv 1 98 200 -165 0 - 4 e 461 328 etot -9.0191E+01 mv 1 98 184 -200 0 - 4 e 520 341 etot -8.3453E+01 mv 1 98 196 -191 0 - 4 e 301 365 etot -8.7233E+01 mv 1 98 122 -157 0 - 4 e 334 362 etot -8.8082E+01 mv 1 98 122 74 0 - 4 e 215 373 etot -8.8359E+01 mv 1 98 139 5 0 - 4 e 471 334 etot -8.9284E+01 mv 1 98 107 -103 0 - 4 e 228 371 etot -8.8359E+01 mv 1 98 139 176 0 - 4 e 216 366 etot -8.8060E+01 mv 1 98 200 -119 0 - 4 e 248 375 etot -8.7960E+01 mv 1 98 139 -94 0 - 4 e 215 381 etot -8.8097E+01 mv 1 98 124 101 0 - 4 e 306 369 etot -8.7689E+01 mv 1 98 200 32 0 - 4 e 236 379 etot -6.9984E+01 mv 1 98 163 -158 0 - 4 e 241 364 etot -8.6193E+01 mv 1 98 122 63 0 - 4 e 564 344 etot -8.0061E+01 mv 1 98 196 -106 0 - 4 e 228 380 etot -8.7611E+01 mv 1 98 163 42 0 - 4 e 323 368 etot -8.8059E+01 mv 1 98 200 117 0 - 4 e 11 404 etot -8.4917E+01 mv 0 98 115 0 0 c 115 0.0 0.0 - 4 e 2 405 etot -9.0761E+01 mv 0 98 24 0 0 - 4 e 383 367 etot -8.1802E+01 mv 1 98 200 30 0 - 4 e 18 407 etot -8.9285E+01 mv 0 98 107 0 0 - 4 e 2 408 etot -8.8216E+01 mv 0 98 36 0 0 - 4 e 2 409 etot -8.8871E+01 mv 0 98 196 0 0 - 4 e 2 410 etot -8.8115E+01 mv 0 98 1 0 0 - 4 e 72 406 etot -9.0194E+01 mv 0 98 184 0 0 c 184 0.1 0.0 - 4 e 2 412 etot -8.9075E+01 mv 0 98 161 0 0 - 4 e 92 402 etot -9.1042E+01 mv 0 98 67 0 0 c 67 1.6 0.0 - 4 e 2 413 etot -8.8104E+01 mv 0 98 122 0 0 - 4 e 2 415 etot -8.8359E+01 mv 0 98 139 0 0 - 4 e 11 414 etot -8.8060E+01 mv 0 98 200 0 0 - 4 e 2 417 etot -8.8097E+01 mv 0 98 124 0 0 - 4 e 309 382 etot -8.8097E+01 mv 1 98 124 146 0 - 4 e 24 411 etot -8.8270E+01 mv 0 98 59 0 0 c 59 0.0 0.0 -## N0 total= 24 close= 10 far= 0 %acc 41.7 -## N1 total= 96 close= 1 far= 0 %acc 1.0 -## N2 total= 100 close= 4 far= 0 %acc 4.0 -## N3 total= 0 close= 0 far= 0 %acc 0.0 -## N4 total= 0 close= 0 far= 0 %acc 0.0 -## N5 total= 0 close= 0 far= 0 %acc 0.0 -## N6 total= 200 close= 4 far= 0 %acc 2.0 -## N7 total= 0 close= 0 far= 0 %acc 0.0 -## N8 total= 0 close= 0 far= 0 %acc 0.0 -## N9 total= 0 close= 0 far= 0 %acc 0.0 -##N10 total= 0 close= 0 far= 0 %acc 0.0 -##N11 total= 0 close= 0 far= 0 %acc 0.0 -##N12 total= 0 close= 0 far= 0 %acc 0.0 -##N13 total= 0 close= 0 far= 0 %acc 0.0 -##N14 total= 0 close= 0 far= 0 %acc 0.0 -##N15 total= 0 close= 0 far= 0 %acc 0.0 -##N16 total= 0 close= 0 far= 0 %acc 0.0 -##N17 total= 0 close= 0 far= 0 %acc 0.0 -##N18 total= 0 close= 0 far= 0 %acc 0.0 - Time for refresh 99 0.31 - make_var : nseed= 20 ntry= 420 - Time for make trial 100 0.05 -Nonsetup time 191.68 sec, Eval/s = 65227.51 -Time for iter 100 1.73 sec, Eval/s = 68849.55 - UPDATING 420 - 4 e 715 384 etot -8.4697E+01 mv 1 98 124 -34 0 - 4 e 515 398 etot -8.7379E+01 mv 1 98 41 -117 0 - 4 e 529 399 etot -7.6300E+01 mv 1 98 41 189 0 - 4 e 284 395 etot -8.7411E+01 mv 1 98 174 -117 0 - 4 e 2 418 etot -8.7603E+01 mv 0 98 183 0 0 - 4 e 73 416 etot -8.7894E+01 mv 0 98 163 0 0 c 163 0.7 0.0 - 4 e 633 363 etot -8.8100E+01 mv 1 98 122 -81 0 - 4 e 306 383 etot -8.8096E+01 mv 1 98 124 -79 0 - 4 e 580 377 etot -8.0841E+01 mv 1 98 163 -35 0 - 4 e 556 390 etot -8.7601E+01 mv 1 98 183 -71 0 - 4 e 194 391 etot -8.6925E+01 mv 1 98 174 100 0 - 4 e 560 378 etot -7.6897E+01 mv 1 98 163 58 0 - 4 e 13 419 etot -8.7411E+01 mv 0 98 174 0 0 c 174 0.0 0.0 - 4 e 2 420 etot -8.7381E+01 mv 0 98 41 0 0 - -1 e 1 5 etot 1.3528E+20 mv 6 99 6 91 0 - 4 e 344 393 etot -8.7410E+01 mv 1 98 174 36 0 - 4 e 226 388 etot -8.7603E+01 mv 1 98 183 -79 0 - 4 e 114 403 etot -8.3710E+01 mv 0 98 164 0 0 c 164 1.0 0.0 - 4 e 656 358 etot -8.2538E+01 mv 1 98 161 -177 0 - 4 e 323 392 etot -8.7410E+01 mv 1 98 174 28 0 - -1 e 1 13 etot 1.3528E+20 mv 6 99 102 92 0 - -1 e 1 12 etot 1.3528E+20 mv 6 99 102 118 0 - 4 e 353 387 etot -8.5429E+01 mv 1 98 183 -9 0 - 4 e 217 397 etot -8.6042E+01 mv 1 98 41 59 0 - 4 e 341 385 etot -8.8097E+01 mv 1 98 124 -146 0 - -1 e 1 17 etot 1.3528E+20 mv 6 99 102 36 0 - -1 e 1 16 etot 1.3528E+20 mv 6 99 102 85 0 - 4 e 220 400 etot -8.7381E+01 mv 1 98 41 142 0 - 4 e 391 374 etot -8.4300E+01 mv 1 98 139 -89 0 - 4 e 124 389 etot -8.7603E+01 mv 1 98 183 77 0 - 4 e 409 376 etot -8.7893E+01 mv 1 98 163 -3 0 - 4 e 100 401 etot -8.3904E+01 mv 0 98 6 0 0 - -1 e 1 22 etot 1.3528E+20 mv 6 99 111 105 0 - 4 e 328 394 etot -8.1883E+01 mv 1 98 174 -3 0 - 4 e 296 386 etot -8.7602E+01 mv 1 98 183 -18 0 - 4 e 586 360 etot -7.8224E+01 mv 1 98 161 -65 0 - -1 e 1 27 etot 1.3528E+20 mv 6 99 111 101 0 - -1 e 1 31 etot 1.3528E+20 mv 6 99 124 139 0 - 4 e 123 396 etot -8.7381E+01 mv 1 98 41 -77 0 - -1 e 1 33 etot 1.3528E+20 mv 6 99 124 149 0 - -1 e 1 38 etot 1.3528E+20 mv 6 99 124 33 0 - -1 e 1 39 etot 1.3528E+20 mv 6 99 124 120 0 - 4 e 2 37 etot -8.4094E+01 mv 6 99 124 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111 157 0 c 157 35.2 0.2 - -1 e 1 64 etot 1.3528E+20 mv 6 99 161 85 0 - 4 e 382 35 etot -8.5380E+01 mv 6 99 124 49 0 - 4 e 414 36 etot -8.1848E+01 mv 6 99 124 133 0 - 4 e 421 11 etot -8.4259E+01 mv 6 99 102 161 0 - 4 e 417 23 etot -8.2012E+01 mv 6 99 111 143 0 - 4 e 2 69 etot -8.8055E+01 mv 6 99 161 153 0 - 4 e 538 15 etot -8.0528E+01 mv 6 99 102 29 0 - 4 e 428 29 etot -8.5951E+01 mv 6 99 111 190 0 c 17 58.1 0.3 - 4 e 420 20 etot -8.8096E+01 mv 6 99 102 121 0 - 4 e 189 53 etot -7.2456E+01 mv 6 99 184 47 0 - 4 e 453 40 etot -8.6405E+01 mv 6 99 124 66 0 - 4 e 472 18 etot -7.9714E+01 mv 6 99 102 84 0 - 4 e 331 47 etot -8.1794E+01 mv 6 99 122 159 0 - 4 e 320 54 etot -9.0193E+01 mv 6 99 184 97 0 - -1 e 1 78 etot 1.3528E+20 mv 6 99 119 76 0 - -1 e 1 79 etot 1.3528E+20 mv 6 99 119 141 0 - 4 e 241 52 etot -8.5767E+01 mv 6 99 184 7 0 - -1 e 1 81 etot 1.3528E+20 mv 6 99 36 34 0 - 4 e 588 1 etot -8.6659E+01 mv 6 99 6 141 0 - 4 e 540 34 etot -8.1563E+01 mv 6 99 124 6 0 - 4 e 78 74 etot -8.4675E+01 mv 6 99 119 169 0 c 169 0.3 0.0 - 4 e 309 50 etot -8.3690E+01 mv 6 99 122 126 0 - 4 e 222 65 etot -7.3530E+01 mv 6 99 161 151 0 - -1 e 1 87 etot 4.6909E+36 mv 6 99 36 50 0 - 4 e 180 66 etot -8.9075E+01 mv 6 99 161 169 0 - 4 e 231 63 etot -6.9030E+01 mv 6 99 161 36 0 - 4 e 598 42 etot -8.1423E+01 mv 6 99 122 154 0 - 4 e 570 32 etot -8.2983E+01 mv 6 99 124 171 0 - 4 e 585 49 etot -8.5843E+01 mv 6 99 122 53 0 - 4 e 539 45 etot -8.2567E+01 mv 6 99 122 132 0 - 4 e 235 68 etot -8.6455E+01 mv 6 99 161 7 0 - 4 e 259 70 etot -8.9074E+01 mv 6 99 161 60 0 - 4 e 208 82 etot -7.8223E+01 mv 6 99 36 34 0 - 4 e 287 62 etot -7.9935E+01 mv 6 99 161 151 0 - 4 e 366 61 etot -8.0984E+01 mv 6 99 161 140 0 - -1 e 1 98 etot 1.3528E+20 mv 6 99 79 195 0 - 4 e 491 57 etot -7.5701E+01 mv 6 99 184 64 0 - 4 e 495 58 etot -8.5271E+01 mv 6 99 184 155 0 - 4 e 188 72 etot -8.7002E+01 mv 6 99 119 101 0 - -1 e 1 103 etot 1.3528E+20 mv 6 99 196 42 0 - 4 e 182 88 etot -7.3583E+01 mv 6 99 36 123 0 - 4 e 221 73 etot -9.0745E+01 mv 6 99 119 50 0 - 4 e 183 86 etot -8.8215E+01 mv 6 99 36 88 0 - 4 e 556 56 etot -8.4077E+01 mv 6 99 184 69 0 - 4 e 500 55 etot -8.6210E+01 mv 6 99 184 147 0 - -1 e 1 109 etot 1.3528E+20 mv 6 99 196 11 0 - 4 e 204 90 etot -8.6764E+01 mv 6 99 36 9 0 - 4 e 295 67 etot -8.9071E+01 mv 6 99 161 142 0 - 4 e 719 26 etot -8.0218E+01 mv 6 99 111 42 0 - 4 e 168 93 etot -8.9605E+01 mv 6 99 79 124 0 - 4 e 122 92 etot -6.7841E+01 mv 6 99 79 108 0 - 4 e 447 51 etot -8.0841E+01 mv 6 99 184 76 0 - -1 e 1 116 etot 1.3528E+20 mv 6 99 100 156 0 - 4 e 443 71 etot -8.3734E+01 mv 6 99 119 42 0 - 4 e 290 85 etot -7.9158E+01 mv 6 99 36 142 0 - -1 e 1 119 etot 1.3528E+20 mv 6 99 100 66 0 - 4 e 155 97 etot -8.5539E+01 mv 6 99 79 70 0 - 4 e 308 76 etot -8.4652E+01 mv 6 99 119 7 0 - -1 e 1 122 etot 1.3528E+20 mv 6 99 1 161 0 - -1 e 1 123 etot 1.3528E+20 mv 6 99 1 122 0 - 4 e 194 89 etot -8.6055E+01 mv 6 99 36 7 0 - 4 e 368 83 etot -7.6872E+01 mv 6 99 36 92 0 - 4 e 205 102 etot -8.2118E+01 mv 6 99 196 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- 4 e 159 134 etot -9.0277E+01 mv 6 99 8 197 0 - 4 e 279 120 etot -8.3173E+01 mv 6 99 100 26 0 - -1 e 1 150 etot 1.3528E+20 mv 6 99 139 164 0 - 4 e 329 113 etot -7.2137E+01 mv 6 99 100 70 0 - 4 e 57 148 etot -8.5262E+01 mv 6 99 139 123 0 c 123 0.3 0.0 - 4 e 213 129 etot -8.8115E+01 mv 6 99 1 81 0 - 4 e 341 118 etot -8.8364E+01 mv 6 99 100 158 0 - 4 e 338 121 etot -7.6297E+01 mv 6 99 1 44 0 - 4 e 55 154 etot -8.8104E+01 mv 6 99 107 122 0 - 4 e 248 115 etot -8.3823E+01 mv 6 99 100 128 0 - 4 e 406 114 etot -8.0993E+01 mv 6 99 100 177 0 - 4 e 295 127 etot -8.1239E+01 mv 6 99 1 94 0 - 4 e 304 104 etot -8.7304E+01 mv 6 99 196 80 0 - 4 e 194 131 etot -8.3159E+01 mv 6 99 8 158 0 - 4 e 557 94 etot -7.1032E+01 mv 6 99 79 110 0 - 4 e 379 124 etot -8.7443E+01 mv 6 99 1 73 0 - 4 e 310 112 etot -7.9241E+01 mv 6 99 100 16 0 - 4 e 250 140 etot -8.8760E+01 mv 6 99 8 96 0 - 4 e 242 143 etot -7.4586E+01 mv 6 99 139 66 0 - -1 e 1 167 etot 1.3528E+20 mv 6 99 200 109 0 - 4 e 409 126 etot -8.8113E+01 mv 6 99 1 178 0 - 4 e 239 147 etot -8.7960E+01 mv 6 99 139 7 0 - 4 e 187 149 etot -7.4109E+01 mv 6 99 139 52 0 - 4 e 12 170 etot -8.5576E+01 mv 6 99 200 131 0 c 131 0.0 0.0 - 4 e 352 136 etot -8.7932E+01 mv 6 99 8 49 0 - 4 e 331 139 etot -9.0580E+01 mv 6 99 8 106 0 - 4 e 596 110 etot -7.9385E+01 mv 6 99 196 142 0 - -1 e 1 175 etot 1.3528E+20 mv 6 99 153 132 0 - 4 e 337 117 etot -8.3037E+01 mv 6 99 100 170 0 - 4 e 396 138 etot -7.2072E+01 mv 6 99 8 104 0 - 4 e 357 146 etot -7.6377E+01 mv 6 99 139 140 0 - 4 e 295 153 etot -8.6378E+01 mv 6 99 107 156 0 - 4 e 237 157 etot -8.5571E+01 mv 6 99 107 120 0 - 4 e 353 151 etot -7.2899E+01 mv 6 99 107 194 0 - 4 e 277 141 etot -7.5359E+01 mv 6 99 139 169 0 - 4 e 316 156 etot -8.9283E+01 mv 6 99 107 185 0 - 4 e 552 132 etot -8.7459E+01 mv 6 99 8 196 0 - 4 e 366 152 etot -8.0326E+01 mv 6 99 107 118 0 - 4 e 311 159 etot -8.0974E+01 mv 6 99 107 102 0 - 4 e 290 164 etot -8.7953E+01 mv 6 99 200 72 0 - 4 e 381 137 etot -7.6053E+01 mv 6 99 8 66 0 - 4 e 488 142 etot -8.1152E+01 mv 6 99 139 180 0 - 4 e 358 163 etot -8.3561E+01 mv 6 99 200 132 0 - -1 e 1 191 etot 1.3528E+20 mv 6 99 183 58 0 - 4 e 322 169 etot -7.8679E+01 mv 6 99 200 34 0 - 4 e 231 178 etot -8.8055E+01 mv 6 99 153 192 0 - 4 e 452 155 etot -7.5442E+01 mv 6 99 107 195 0 - 4 e 395 166 etot -7.5161E+01 mv 6 99 200 46 0 - 4 e 455 160 etot -8.6066E+01 mv 6 99 107 170 0 - 4 e 332 174 etot -8.9324E+01 mv 6 99 153 20 0 - 4 e 327 176 etot -8.1485E+01 mv 6 99 153 53 0 - 4 e 386 172 etot -8.2273E+01 mv 6 99 153 147 0 - 4 e 179 187 etot -6.9371E+01 mv 6 99 163 108 0 - 4 e 647 145 etot -7.9408E+01 mv 6 99 139 28 0 - 4 e 588 125 etot -8.4181E+01 mv 6 99 1 6 0 - 4 e 331 158 etot -7.8801E+01 mv 6 99 107 63 0 - -1 e 1 204 etot 1.3528E+20 mv 2 99 6 12 0 - 4 e 257 186 etot -8.7894E+01 mv 6 99 163 91 0 - 4 e 334 161 etot -7.8652E+01 mv 6 99 200 54 0 - -1 e 1 207 etot 1.3528E+20 mv 2 99 102 88 0 - 4 e 493 168 etot -8.1287E+01 mv 6 99 200 168 0 - 4 e 298 184 etot -8.7721E+01 mv 6 99 163 94 0 - 4 e 211 192 etot -8.6904E+01 mv 6 99 183 118 0 - 4 e 132 196 etot -7.3228E+01 mv 6 99 183 48 0 - 4 e 331 182 etot -7.7911E+01 mv 6 99 163 46 0 - 4 e 185 189 etot -7.1715E+01 mv 6 99 163 73 0 - 4 e 290 188 etot -8.7116E+01 mv 6 99 163 194 0 - 4 e 326 185 etot -8.7599E+01 mv 6 99 163 124 0 - -1 e 1 216 etot 1.3528E+20 mv 2 99 124 -195 0 - -1 e 1 217 etot 1.3528E+20 mv 2 99 124 -176 0 - 4 e 421 162 etot -8.3384E+01 mv 6 99 200 33 0 - 4 e 317 190 etot -7.6883E+01 mv 6 99 163 141 0 - 4 e 461 179 etot -7.9734E+01 mv 6 99 153 45 0 - 4 e 295 193 etot -7.2442E+01 mv 6 99 183 120 0 - 4 e 221 202 etot -7.1661E+01 mv 2 99 6 -115 0 - 4 e 230 201 etot -7.5602E+01 mv 2 99 6 127 0 - 4 e 508 180 etot -8.1860E+01 mv 6 99 153 178 0 - 4 e 316 198 etot -7.7474E+01 mv 6 99 183 70 0 - 4 e 369 194 etot -8.4798E+01 mv 6 99 183 72 0 - 4 e 693 171 etot -8.0345E+01 mv 6 99 153 51 0 - 4 e 381 195 etot -8.3022E+01 mv 6 99 183 28 0 - 4 e 681 173 etot -9.2228E+01 mv 6 99 153 41 0 - 4 e 236 213 etot -8.5958E+01 mv 2 99 111 117 0 - 4 e 253 210 etot -8.6434E+01 mv 2 99 102 150 0 c 102 2.2 0.0 - 4 e 279 206 etot -8.6434E+01 mv 2 99 102 -157 0 - 4 e 138 225 etot -8.8104E+01 mv 2 99 122 -9 0 - 4 e 396 199 etot -8.0902E+01 mv 6 99 183 106 0 - 4 e 283 211 etot -7.3284E+01 mv 2 99 111 -147 0 - 4 e 306 209 etot -7.1543E+01 mv 2 99 102 52 0 - 4 e 400 200 etot -7.8638E+01 mv 6 99 183 120 0 - 4 e 252 203 etot -8.4126E+01 mv 2 99 6 10 0 - 4 e 651 181 etot -8.3842E+01 mv 6 99 163 79 0 - 4 e 221 221 etot -8.8104E+01 mv 2 99 122 50 0 - 4 e 591 165 etot -8.0150E+01 mv 6 99 200 49 0 - 4 e 256 220 etot -8.8392E+01 mv 2 99 124 186 0 c 124 1.7 0.0 - 4 e 325 212 etot -8.2788E+01 mv 2 99 111 121 0 - 4 e 455 197 etot -8.6066E+01 mv 6 99 183 105 0 - 4 e 180 226 etot -7.5220E+01 mv 2 99 184 15 0 - 4 e 265 222 etot -8.3477E+01 mv 2 99 122 106 0 - 4 e 477 183 etot -8.2548E+01 mv 6 99 163 197 0 - 4 e 298 208 etot -8.6434E+01 mv 2 99 102 46 0 - 4 e 199 229 etot -7.2413E+01 mv 2 99 184 119 0 - 4 e 279 214 etot -8.0948E+01 mv 2 99 111 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8 -181 0 - 4 e 182 296 etot -8.7603E+01 mv 2 99 183 173 0 - 4 e 247 294 etot -6.9369E+01 mv 2 99 163 94 0 - 4 e 420 276 etot -8.4260E+01 mv 2 99 107 -161 0 - 4 e 142 299 etot -6.1021E+01 mv 2 99 183 -122 0 - 4 e 427 280 etot -8.9283E+01 mv 2 99 107 -43 0 - -1 e 1 318 etot 1.3528E+20 mv 1 99 124 173 0 - 4 e 181 300 etot -8.7603E+01 mv 2 99 183 152 0 - 4 e 583 270 etot -8.9260E+01 mv 2 99 8 32 0 - 4 e 500 278 etot -7.4915E+01 mv 2 99 107 -175 0 - 4 e 281 298 etot -8.5549E+01 mv 2 99 183 -16 0 - 4 e 221 301 etot -8.4126E+01 mv 1 99 6 122 0 - 4 e 215 304 etot -8.4126E+01 mv 1 99 6 -111 0 - 4 e 575 251 etot -7.5372E+01 mv 2 99 196 129 0 - 4 e 416 291 etot -8.7893E+01 mv 2 99 163 -136 0 - 4 e 435 289 etot -8.6699E+01 mv 2 99 153 11 0 - 4 e 312 297 etot -7.5923E+01 mv 2 99 183 -52 0 - 4 e 422 292 etot -8.0112E+01 mv 2 99 163 -4 0 - 4 e 184 303 etot -8.4126E+01 mv 1 99 6 157 0 c 6 0.4 0.0 - 4 e 169 317 etot -6.7562E+01 mv 1 99 124 -8 0 - 4 e 239 307 etot -8.6434E+01 mv 1 99 102 128 0 c 102 1.9 0.0 - 4 e 224 313 etot -8.4697E+01 mv 1 99 111 -63 0 - 4 e 517 288 etot -8.4885E+01 mv 2 99 153 -15 0 - 4 e 210 305 etot -7.9159E+01 mv 1 99 6 56 0 - 4 e 259 315 etot -8.5624E+01 mv 1 99 111 14 0 - 4 e 415 285 etot -8.8058E+01 mv 2 99 200 -95 0 - 4 e 283 314 etot -7.3285E+01 mv 1 99 111 -64 0 - 4 e 323 308 etot -7.4368E+01 mv 1 99 102 -171 0 - 4 e 209 320 etot -8.8393E+01 mv 1 99 124 -171 0 c 124 1.8 0.0 - 4 e 525 269 etot -7.7828E+01 mv 2 99 8 -182 0 - -1 e 1 342 etot 1.3528E+20 mv 1 99 36 181 0 - 4 e 418 284 etot -6.7595E+01 mv 2 99 200 -69 0 - 4 e 180 325 etot -8.8104E+01 mv 1 99 122 27 0 - 4 e 714 279 etot -8.4961E+01 mv 2 99 107 -45 0 - -1 e 1 346 etot 1.3528E+20 mv 1 99 79 124 0 - 4 e 225 323 etot -6.3532E+01 mv 1 99 122 -135 0 - 4 e 537 295 etot -8.1736E+01 mv 2 99 163 193 0 - 4 e 350 302 etot -6.8372E+01 mv 1 99 6 107 0 - 4 e 394 316 etot -8.5226E+01 mv 1 99 124 -197 0 - -1 e 1 351 etot 1.3528E+20 mv 1 99 196 -36 0 - -1 e 1 352 etot 7.9106E+24 mv 1 99 196 -145 0 - 4 e 319 310 etot -8.6434E+01 mv 1 99 102 81 0 - 4 e 290 328 etot -8.7939E+01 mv 1 99 184 177 0 - 4 e 363 319 etot -8.2371E+01 mv 1 99 124 -146 0 - 4 e 155 341 etot -8.7420E+01 mv 1 99 36 128 0 - 4 e 165 340 etot -8.8558E+01 mv 1 99 119 -58 0 - 4 e 195 339 etot -8.8557E+01 mv 1 99 119 20 0 - 4 e 351 330 etot -9.0191E+01 mv 1 99 184 -147 0 - 4 e 151 343 etot -8.6522E+01 mv 1 99 36 -92 0 - 4 e 348 332 etot -7.9742E+01 mv 1 99 161 -138 0 - 4 e 546 312 etot -7.7069E+01 mv 1 99 111 -46 0 - 4 e 349 333 etot -7.3276E+01 mv 1 99 161 123 0 - 4 e 409 324 etot -8.8103E+01 mv 1 99 122 -129 0 - 4 e 416 329 etot -8.9429E+01 mv 1 99 184 -48 0 - 4 e 296 326 etot -9.0193E+01 mv 1 99 184 -177 0 - 4 e 221 349 etot -7.3577E+01 mv 1 99 79 197 0 - 4 e 347 335 etot -8.9072E+01 mv 1 99 161 -31 0 - 4 e 266 347 etot -8.6862E+01 mv 1 99 79 199 0 - 4 e 239 338 etot -7.6301E+01 mv 1 99 119 -52 0 - 4 e 504 327 etot -8.3299E+01 mv 1 99 184 -173 0 - 4 e 233 344 etot -8.8215E+01 mv 1 99 36 83 0 - 4 e 316 331 etot -8.2066E+01 mv 1 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-8.8359E+01 mv 1 99 139 -70 0 - 4 e 251 361 etot -8.8115E+01 mv 1 99 1 195 0 - 4 e 236 377 etot -8.9285E+01 mv 1 99 107 -40 0 - 4 e 236 380 etot -8.9284E+01 mv 1 99 107 88 0 - 4 e 372 368 etot -8.9261E+01 mv 1 99 8 155 0 - 4 e 533 357 etot -8.8332E+01 mv 1 99 100 86 0 - 4 e 224 373 etot -8.6677E+01 mv 1 99 139 -46 0 - 4 e 261 383 etot -6.7130E+01 mv 1 99 200 -172 0 - 4 e 154 388 etot -7.9680E+01 mv 1 99 153 158 0 - 4 e 574 356 etot -8.8413E+01 mv 1 99 100 97 0 - 4 e 432 369 etot -7.2634E+01 mv 1 99 8 -189 0 - 4 e 2 405 etot -8.8104E+01 mv 0 99 122 0 0 - 4 e 238 386 etot -8.7738E+01 mv 1 99 153 28 0 - 4 e 250 374 etot -8.2126E+01 mv 1 99 139 87 0 - 4 e 2 407 etot -8.9075E+01 mv 0 99 161 0 0 - 4 e 311 381 etot -8.6399E+01 mv 1 99 200 -63 0 - 4 e 2 409 etot -8.8216E+01 mv 0 99 36 0 0 - 4 e 2 411 etot -8.8871E+01 mv 0 99 196 0 0 - 4 e 2 412 etot -8.8415E+01 mv 0 99 100 0 0 - 4 e 2 413 etot -8.8115E+01 mv 0 99 1 0 0 - 4 e 18 406 etot -9.0194E+01 mv 0 99 184 0 0 c 184 0.0 0.0 - 4 e 2 414 etot -8.9262E+01 mv 0 99 8 0 0 - 4 e 380 376 etot -7.5858E+01 mv 1 99 107 -92 0 - 4 e 13 410 etot -8.9606E+01 mv 0 99 79 0 0 c 79 0.0 0.0 - 4 e 2 415 etot -8.8359E+01 mv 0 99 139 0 0 - 4 e 13 408 etot -8.8558E+01 mv 0 99 119 0 0 c 119 0.0 0.0 -## N0 total= 17 close= 6 far= 0 %acc 35.3 -## N1 total= 103 close= 3 far= 0 %acc 2.9 -## N2 total= 100 close= 2 far= 0 %acc 2.0 -## N3 total= 0 close= 0 far= 0 %acc 0.0 -## N4 total= 0 close= 0 far= 0 %acc 0.0 -## N5 total= 0 close= 0 far= 0 %acc 0.0 -## N6 total= 200 close= 9 far= 0 %acc 4.5 -## N7 total= 0 close= 0 far= 0 %acc 0.0 -## N8 total= 0 close= 0 far= 0 %acc 0.0 -## N9 total= 0 close= 0 far= 0 %acc 0.0 -##N10 total= 0 close= 0 far= 0 %acc 0.0 -##N11 total= 0 close= 0 far= 0 %acc 0.0 -##N12 total= 0 close= 0 far= 0 %acc 0.0 -##N13 total= 0 close= 0 far= 0 %acc 0.0 -##N14 total= 0 close= 0 far= 0 %acc 0.0 -##N15 total= 0 close= 0 far= 0 %acc 0.0 -##N16 total= 0 close= 0 far= 0 %acc 0.0 -##N17 total= 0 close= 0 far= 0 %acc 0.0 -##N18 total= 0 close= 0 far= 0 %acc 0.0 - Time for refresh 100 0.27 - make_var : nseed= 20 ntry= 420 - Time for make trial 101 0.05 -Nonsetup time 193.43 sec, Eval/s = 65271.20 -Time for iter 101 1.74 sec, Eval/s = 70077.99 - UPDATING 420 - 4 e 12 416 etot -8.9285E+01 mv 0 99 107 0 0 c 107 0.0 0.0 - 4 e 431 399 etot -8.1766E+01 mv 1 99 183 -90 0 - 4 e 285 400 etot -8.5255E+01 mv 1 99 183 -26 0 - 4 e 104 402 etot -8.6435E+01 mv 0 99 102 0 0 c 102 0.7 0.0 - 4 e 498 384 etot -6.8842E+01 mv 1 99 200 -66 0 - 4 e 372 375 etot -8.8358E+01 mv 1 99 139 -23 0 - 4 e 497 370 etot -7.8247E+01 mv 1 99 8 139 0 - 4 e 579 397 etot -8.7601E+01 mv 1 99 183 168 0 - 4 e 634 364 etot -8.2262E+01 mv 1 99 1 51 0 - 4 e 241 387 etot -8.8055E+01 mv 1 99 153 55 0 - -1 e 1 2 etot 1.3528E+20 mv 6 100 17 44 0 - 4 e 28 417 etot -8.8060E+01 mv 0 99 200 0 0 c 200 0.0 0.0 - 4 e 444 398 etot -7.8739E+01 mv 1 99 183 -133 0 - 4 e 37 419 etot -8.7894E+01 mv 0 99 163 0 0 c 163 0.7 0.0 - 4 e 290 393 etot -8.7894E+01 mv 1 99 163 16 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etot -7.4475E+01 mv 6 100 17 26 0 - 4 e 179 6 etot -8.5686E+01 mv 6 100 17 11 0 - 4 e 227 11 etot -6.7669E+01 mv 6 100 157 162 0 - 4 e 258 1 etot -7.5660E+01 mv 6 100 17 200 0 - 4 e 238 32 etot -8.6628E+01 mv 6 100 24 75 0 - 4 e 282 7 etot -7.1120E+01 mv 6 100 17 49 0 - 4 e 267 18 etot -7.4020E+01 mv 6 100 157 28 0 - 4 e 234 14 etot -8.5403E+01 mv 6 100 157 19 0 - 4 e 316 4 etot -8.4397E+01 mv 6 100 17 9 0 - 4 e 289 8 etot -8.6351E+01 mv 6 100 17 16 0 - 4 e 307 23 etot -7.1429E+01 mv 6 100 21 141 0 - 4 e 321 30 etot -8.5936E+01 mv 6 100 21 9 0 - 4 e 359 21 etot -8.5416E+01 mv 6 100 21 96 0 - 4 e 343 31 etot -8.6410E+01 mv 6 100 24 163 0 - 4 e 344 24 etot -8.3682E+01 mv 6 100 21 153 0 - -1 e 1 50 etot 1.3528E+20 mv 6 100 40 7 0 - 4 e 362 22 etot -7.5760E+01 mv 6 100 21 5 0 - 4 e 371 28 etot -6.9040E+01 mv 6 100 21 151 0 - 4 e 378 12 etot -8.3748E+01 mv 6 100 157 162 0 - 4 e 339 10 etot -8.5953E+01 mv 6 100 17 190 0 c 17 3.1 0.0 - 4 e 384 9 etot -8.5341E+01 mv 6 100 17 74 0 - 4 e 281 37 etot -8.0319E+01 mv 6 100 24 101 0 - -1 e 1 57 etot 1.3528E+20 mv 6 100 139 102 0 - -1 e 1 58 etot 1.3528E+20 mv 6 100 139 192 0 - 4 e 381 33 etot -8.2297E+01 mv 6 100 24 105 0 - 4 e 377 25 etot -7.2861E+01 mv 6 100 21 184 0 - 4 e 411 20 etot -8.6959E+01 mv 6 100 157 65 0 - 4 e 378 17 etot -7.9987E+01 mv 6 100 157 89 0 - 4 e 408 19 etot -7.4156E+01 mv 6 100 157 21 0 - 4 e 169 45 etot -7.0407E+01 mv 6 100 40 12 0 - 4 e 260 36 etot -9.0761E+01 mv 6 100 24 187 0 - 4 e 211 39 etot -8.8918E+01 mv 6 100 24 137 0 - 4 e 284 41 etot -9.0080E+01 mv 6 100 40 110 0 - -1 e 1 68 etot 6.3789E+24 mv 6 100 107 115 0 - 4 e 247 40 etot -8.9009E+01 mv 6 100 24 85 0 c 103 28.3 0.8 - 4 e 325 44 etot -9.0080E+01 mv 6 100 40 130 0 - 4 e 500 35 etot -7.9703E+01 mv 6 100 24 116 0 - 4 e 220 55 etot -8.6859E+01 mv 6 100 139 48 0 - 4 e 526 15 etot -8.6796E+01 mv 6 100 157 93 0 - 4 e 190 49 etot -9.0337E+01 mv 6 100 40 68 0 - 4 e 518 34 etot -7.8770E+01 mv 6 100 24 49 0 - -1 e 1 76 etot 1.3528E+20 mv 6 100 161 93 0 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etot -8.2348E+01 mv 6 100 139 179 0 - 4 e 503 38 etot -7.7922E+01 mv 6 100 24 139 0 - 4 e 406 65 etot -8.9284E+01 mv 6 100 107 51 0 - -1 e 1 100 etot 1.3528E+20 mv 6 100 1 27 0 - 4 e 159 86 etot -7.3088E+01 mv 6 100 36 79 0 - 4 e 202 74 etot -6.6026E+01 mv 6 100 161 159 0 - -1 e 1 103 etot 1.3528E+20 mv 6 100 196 55 0 - 4 e 14 102 etot -8.5520E+01 mv 6 100 196 137 0 c 137 0.0 0.0 - 4 e 184 72 etot -8.9075E+01 mv 6 100 161 170 0 - 4 e 395 52 etot -8.7652E+01 mv 6 100 139 144 0 - 4 e 183 88 etot -7.7375E+01 mv 6 100 36 134 0 - 4 e 441 69 etot -8.4300E+01 mv 6 100 107 103 0 - 4 e 199 90 etot -8.8215E+01 mv 6 100 36 107 0 - -1 e 1 110 etot 1.3528E+20 mv 6 100 196 124 0 - 4 e 353 73 etot -8.2399E+01 mv 6 100 161 116 0 - 4 e 545 43 etot -7.8523E+01 mv 6 100 40 98 0 - 4 e 270 78 etot -8.5457E+01 mv 6 100 161 125 0 - 4 e 252 89 etot -8.7196E+01 mv 6 100 36 110 0 - -1 e 1 115 etot 1.3528E+20 mv 6 100 200 96 0 - 4 e 249 93 etot -7.7016E+01 mv 6 100 1 191 0 - 4 e 296 87 etot -8.0336E+01 mv 6 100 36 180 0 - 4 e 480 60 etot -8.8453E+01 mv 6 100 139 167 0 - -1 e 1 119 etot 1.3528E+20 mv 6 100 200 68 0 - 4 e 325 75 etot -6.7370E+01 mv 6 100 161 20 0 - 4 e 208 104 etot -8.3689E+01 mv 6 100 196 66 0 - 4 e 542 67 etot -8.9282E+01 mv 6 100 107 29 0 - 4 e 547 63 etot -8.9284E+01 mv 6 100 107 76 0 - 4 e 585 66 etot -7.6887E+01 mv 6 100 107 114 0 - 4 e 197 111 etot -7.9422E+01 mv 6 100 200 131 0 - -1 e 1 126 etot 1.3528E+20 mv 6 100 153 32 0 - 4 e 432 80 etot -8.0436E+01 mv 6 100 161 67 0 - 4 e 244 107 etot -8.5172E+01 mv 6 100 196 171 0 - 4 e 621 61 etot -8.3837E+01 mv 6 100 107 180 0 - 4 e 421 92 etot -5.7949E+01 mv 6 100 1 174 0 - 4 e 334 105 etot -8.8871E+01 mv 6 100 196 186 0 - 4 e 522 82 etot -8.3576E+01 mv 6 100 36 72 0 - 4 e 255 113 etot -7.9236E+01 mv 6 100 200 77 0 - 4 e 485 91 etot -6.8858E+01 mv 6 100 1 68 0 - 4 e 138 123 etot -7.4255E+01 mv 6 100 153 187 0 - 4 e 262 114 etot -8.4240E+01 mv 6 100 200 127 0 - 4 e 328 94 etot -8.8114E+01 mv 6 100 1 71 0 - 4 e 361 108 etot 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-7.8447E+01 mv 1 100 17 -141 0 - 4 e 397 304 etot -7.8875E+01 mv 1 100 17 -68 0 - 4 e 426 283 etot -8.8103E+01 mv 2 100 122 129 0 - 4 e 285 315 etot -8.3293E+01 mv 1 100 21 104 0 - 4 e 141 331 etot -6.6980E+01 mv 1 100 107 -22 0 - 4 e 291 316 etot -9.0761E+01 mv 1 100 24 178 0 - 4 e 473 282 etot -8.4902E+01 mv 2 100 122 161 0 - 4 e 580 294 etot -7.8406E+01 mv 2 100 59 -183 0 - 4 e 434 312 etot -8.5936E+01 mv 1 100 21 109 0 - 4 e 293 325 etot -8.8749E+01 mv 1 100 40 21 0 - 4 e 231 321 etot -9.0337E+01 mv 1 100 40 75 0 - 4 e 314 327 etot -7.6958E+01 mv 1 100 139 -163 0 - 4 e 273 319 etot -8.7629E+01 mv 1 100 24 119 0 - 4 e 285 334 etot -8.5571E+01 mv 1 100 107 13 0 - 4 e 518 314 etot -8.0725E+01 mv 1 100 21 -181 0 - 4 e 648 303 etot -8.6958E+01 mv 1 100 17 140 0 - 4 e 387 329 etot -8.8358E+01 mv 1 100 139 -177 0 - 4 e 258 340 etot -8.9074E+01 mv 1 100 161 17 0 - 4 e 326 336 etot -8.8883E+01 mv 1 100 161 168 0 - 4 e 457 323 etot -7.4779E+01 mv 1 100 40 190 0 - 4 e 247 345 etot -8.1537E+01 mv 1 100 36 134 0 - 4 e 624 310 etot -7.8350E+01 mv 1 100 157 6 0 - 4 e 275 344 etot -8.0300E+01 mv 1 100 36 -79 0 - 4 e 402 333 etot -8.9283E+01 mv 1 100 107 198 0 - 4 e 315 343 etot -8.7196E+01 mv 1 100 36 -156 0 - 4 e 344 341 etot -8.8214E+01 mv 1 100 36 -136 0 - 4 e 502 307 etot -8.2476E+01 mv 1 100 157 -196 0 - -1 e 1 366 etot 1.3528E+20 mv 1 100 184 -86 0 - 4 e 715 309 etot -8.2477E+01 mv 1 100 157 -151 0 - 4 e 463 332 etot -7.3025E+01 mv 1 100 107 -157 0 - 4 e 257 349 etot -8.6676E+01 mv 1 100 1 -74 0 - 4 e 386 322 etot -8.9844E+01 mv 1 100 40 144 0 - 4 e 432 338 etot -8.2077E+01 mv 1 100 161 -70 0 - 4 e 518 330 etot -5.3706E+01 mv 1 100 139 -64 0 - 4 e 274 342 etot -7.8258E+01 mv 1 100 36 70 0 - 4 e 395 328 etot -8.6915E+01 mv 1 100 139 125 0 - 4 e 218 353 etot -8.8871E+01 mv 1 100 196 -66 0 - 4 e 279 354 etot -6.9311E+01 mv 1 100 196 -16 0 - 4 e 412 347 etot -8.7203E+01 mv 1 100 1 -33 0 - 4 e 261 355 etot -8.8871E+01 mv 1 100 196 -49 0 - 4 e 206 361 etot -8.7944E+01 mv 1 100 153 -76 0 - 4 e 600 335 etot -8.9283E+01 mv 1 100 107 -130 0 - 4 e 287 350 etot -8.7003E+01 mv 1 100 1 -146 0 - 4 e 192 368 etot -9.0193E+01 mv 1 100 184 -100 0 - 4 e 265 363 etot -7.5641E+01 mv 1 100 153 -148 0 - 4 e 319 357 etot -8.8059E+01 mv 1 100 200 -173 0 - 4 e 321 358 etot -8.8059E+01 mv 1 100 200 -46 0 - 4 e 426 351 etot -8.8558E+01 mv 1 100 196 169 0 - 4 e 362 356 etot -8.8059E+01 mv 1 100 200 141 0 - 4 e 206 373 etot -8.7600E+01 mv 1 100 163 45 0 - 4 e 143 377 etot -6.1302E+01 mv 1 100 79 -116 0 - -1 e 1 370 etot 1.3528E+20 mv 1 100 184 -165 0 - 4 e 530 348 etot -8.1768E+01 mv 1 100 1 -122 0 - -1 e 1 392 etot 1.3528E+20 mv 1 100 59 -89 0 - 4 e 292 365 etot -8.7944E+01 mv 1 100 153 175 0 - 4 e 170 380 etot -8.9605E+01 mv 1 100 79 88 0 - 4 e 227 367 etot -6.9595E+01 mv 1 100 184 -120 0 - 4 e 284 376 etot -6.7763E+01 mv 1 100 79 121 0 - -1 e 1 397 etot 1.3528E+20 mv 1 100 183 121 0 - 4 e 737 339 etot -7.9610E+01 mv 1 100 161 -130 0 - 4 e 403 364 etot -7.7558E+01 mv 1 100 153 -167 0 - 4 e 242 371 etot -8.7894E+01 mv 1 100 163 -35 0 - 4 e 493 346 etot -7.2541E+01 mv 1 100 1 10 0 - 4 e 394 352 etot -8.8870E+01 mv 1 100 196 -160 0 - 4 e 549 337 etot -8.0794E+01 mv 1 100 161 182 0 - 4 e 2 404 etot -9.0761E+01 mv 0 100 24 0 0 - 4 e 11 405 etot -9.0338E+01 mv 0 100 40 0 0 c 40 0.0 0.0 - 4 e 2 406 etot -8.8359E+01 mv 0 100 139 0 0 - 4 e 292 379 etot -7.9470E+01 mv 1 100 79 -38 0 - 4 e 12 407 etot -8.9285E+01 mv 0 100 107 0 0 - 4 e 2 408 etot -8.9075E+01 mv 0 100 161 0 0 - 4 e 2 409 etot -8.8216E+01 mv 0 100 36 0 0 - 4 e 2 410 etot -8.8115E+01 mv 0 100 1 0 0 - 4 e 2 411 etot -8.8871E+01 mv 0 100 196 0 0 - 4 e 553 359 etot -8.1012E+01 mv 1 100 200 184 0 - 4 e 500 362 etot -8.8052E+01 mv 1 100 153 190 0 - 4 e 2 413 etot -8.8055E+01 mv 0 100 153 0 0 - 4 e 47 403 etot -8.5937E+01 mv 0 100 21 0 0 c 21 0.1 0.0 - 4 e 251 385 etot -7.0171E+01 mv 1 100 122 -159 0 - 4 e 2 417 etot -8.8104E+01 mv 0 100 122 0 0 - 4 e 10 414 etot -9.0194E+01 mv 0 100 184 0 0 c 184 0.0 0.0 -## N0 total= 21 close= 10 far= 0 %acc 47.6 -## N1 total= 99 close= 1 far= 0 %acc 1.0 -## N2 total= 100 close= 2 far= 0 %acc 2.0 -## N3 total= 0 close= 0 far= 0 %acc 0.0 -## N4 total= 0 close= 0 far= 0 %acc 0.0 -## N5 total= 0 close= 0 far= 0 %acc 0.0 -## N6 total= 200 close= 9 far= 1 %acc 5.0 -## N7 total= 0 close= 0 far= 0 %acc 0.0 -## N8 total= 0 close= 0 far= 0 %acc 0.0 -## N9 total= 0 close= 0 far= 0 %acc 0.0 -##N10 total= 0 close= 0 far= 0 %acc 0.0 -##N11 total= 0 close= 0 far= 0 %acc 0.0 -##N12 total= 0 close= 0 far= 0 %acc 0.0 -##N13 total= 0 close= 0 far= 0 %acc 0.0 -##N14 total= 0 close= 0 far= 0 %acc 0.0 -##N15 total= 0 close= 0 far= 0 %acc 0.0 -##N16 total= 0 close= 0 far= 0 %acc 0.0 -##N17 total= 0 close= 0 far= 0 %acc 0.0 -##N18 total= 0 close= 0 far= 0 %acc 0.0 - Time for refresh 101 0.32 - sending halt to 1 - node 1 finished 1 12727542 - sending halt to 2 - node 2 finished 2 12728086 - sending halt to 3 - node 3 finished 3 12728480 - sending halt to 4 - node 4 finished 4 12729187 - sending halt to 5 - node 5 finished 5 12729566 - sending halt to 6 - node 6 finished 6 12729847 - sending halt to 7 - node 7 finished 7 12730131 - sending halt to 8 - node 8 finished 8 12730493 - sending halt to 9 - node 9 finished 9 12730495 - sending halt to 10 - node 10 finished 10 12730747 - sending halt to 11 - node 11 finished 11 12730937 - sending halt to 12 - node 12 finished 12 12731183 - sending halt to 13 - node 13 finished 13 12731448 - sending halt to 14 - node 14 finished 14 12731745 - sending halt to 15 - node 15 finished 15 12732030 - sending halt to 16 - node 16 finished 16 12732241 - sending halt to 17 - node 17 finished 17 12732269 - sending halt to 18 - node 18 finished 18 12732721 - sending halt to 19 - node 19 finished 19 12732890 - sending halt to 20 - node 20 finished 20 12733427 - sending halt to 21 - node 21 finished 21 12733913 - sending halt to 22 - node 22 finished 22 12733938 - sending halt to 23 - node 23 finished 23 12734008 - sending halt to 24 - node 24 finished 24 12734472 - sending halt to 25 - node 25 finished 25 12734576 - sending halt to 26 - node 26 finished 26 12734731 - sending halt to 27 - node 27 finished 27 12734741 - sending halt to 28 - node 28 finished 28 12735033 - sending halt to 29 - node 29 finished 29 12735050 - sending halt to 30 - node 30 finished 30 12735424 - sending halt to 31 - node 31 finished 31 12735707 - End of cycle, master time for 101 iters 193.894531250000 sec - Total eval/s 65158.3617059855 - worker 1 OK 0.000000000000000E+000 - worker 2 OK 0.000000000000000E+000 - worker 3 OK 0.000000000000000E+000 - worker 4 OK 0.000000000000000E+000 - worker 5 OK 0.000000000000000E+000 - worker 6 OK 0.000000000000000E+000 - worker 7 OK 0.000000000000000E+000 - worker 8 OK 3.906250000000000E-003 - worker 9 OK 0.000000000000000E+000 - worker 10 OK 0.000000000000000E+000 - worker 11 OK 0.000000000000000E+000 - worker 12 OK 0.000000000000000E+000 - worker 13 OK 0.000000000000000E+000 - worker 14 OK 3.906250000000000E-003 - worker 15 OK 0.000000000000000E+000 - worker 16 OK 0.000000000000000E+000 - worker 17 OK 0.000000000000000E+000 - worker 18 OK 0.000000000000000E+000 - worker 19 OK 0.000000000000000E+000 - worker 20 OK 0.000000000000000E+000 - worker 21 OK 3.906250000000000E-003 - worker 22 OK 0.000000000000000E+000 - worker 23 OK 0.000000000000000E+000 - worker 24 OK 0.000000000000000E+000 - worker 25 OK 0.000000000000000E+000 - worker 26 OK 0.000000000000000E+000 - worker 27 OK 3.906250000000000E-003 - worker 28 OK 0.000000000000000E+000 - worker 29 OK 0.000000000000000E+000 - worker 30 OK 0.000000000000000E+000 - worker 31 OK 0.000000000000000E+000 - UPDATING 31 - 4 e 544 360 etot -8.8058E+01 mv 1 100 200 65 0 - 4 e 394 383 etot -7.6847E+01 mv 1 100 122 -151 0 - 4 e 707 394 etot -8.1189E+01 mv 1 100 59 119 0 - 4 e 379 369 etot -9.0192E+01 mv 1 100 184 23 0 - 4 e 281 391 etot -8.8269E+01 mv 1 100 59 -156 0 - 4 e 284 381 etot -8.8103E+01 mv 1 100 122 89 0 - 4 e 362 372 etot -8.5454E+01 mv 1 100 163 -198 0 - 4 e 2 420 etot -8.7603E+01 mv 0 100 183 0 0 - 4 e 252 395 etot -8.8270E+01 mv 1 100 59 -151 0 - 4 e 190 393 etot -8.8270E+01 mv 1 100 59 73 0 - 4 e 246 388 etot -8.5749E+01 mv 1 100 124 -179 0 - 4 e 265 398 etot -8.7209E+01 mv 1 100 183 75 0 - 4 e 297 390 etot -8.8392E+01 mv 1 100 124 -80 0 - 4 e 285 387 etot -8.8392E+01 mv 1 100 124 91 0 - 4 e 211 399 etot -8.7603E+01 mv 1 100 183 153 0 - 4 e 28 412 etot -8.8060E+01 mv 0 100 200 0 0 - 4 e 452 384 etot -8.1860E+01 mv 1 100 122 158 0 - 4 e 169 378 etot -8.9605E+01 mv 1 100 79 43 0 - 4 e 537 386 etot -8.7648E+01 mv 1 100 124 -85 0 - 4 e 486 400 etot -7.5363E+01 mv 1 100 183 171 0 - 4 e 25 415 etot -8.7894E+01 mv 0 100 163 0 0 - 4 e 70 418 etot -8.8393E+01 mv 0 100 124 0 0 c 124 0.5 0.0 - 4 e 464 389 etot -8.7724E+01 mv 1 100 124 125 0 - 4 e 104 402 etot -8.6960E+01 mv 0 100 157 0 0 c 157 1.1 0.0 - 4 e 155 401 etot -8.5954E+01 mv 0 100 17 0 0 c 17 0.9 0.0 - 4 e 10 416 etot -8.9606E+01 mv 0 100 79 0 0 c 79 0.0 0.0 - 4 e 292 374 etot -8.7599E+01 mv 1 100 163 26 0 - 4 e 17 419 etot -8.8270E+01 mv 0 100 59 0 0 c 59 0.0 0.0 - 4 e 374 382 etot -8.7065E+01 mv 1 100 122 -38 0 - 4 e 283 396 etot -7.5343E+01 mv 1 100 183 -34 0 - 4 e 552 375 etot -7.4050E+01 mv 1 100 163 197 0 -## N0 total= 8 close= 5 far= 0 %acc 62.5 -## N1 total= 23 close= 0 far= 0 %acc 0.0 -## N2 total= 0 close= 0 far= 0 %acc 0.0 -## N3 total= 0 close= 0 far= 0 %acc 0.0 -## N4 total= 0 close= 0 far= 0 %acc 0.0 -## N5 total= 0 close= 0 far= 0 %acc 0.0 -## N6 total= 0 close= 0 far= 0 %acc 0.0 -## N7 total= 0 close= 0 far= 0 %acc 0.0 -## N8 total= 0 close= 0 far= 0 %acc 0.0 -## N9 total= 0 close= 0 far= 0 %acc 0.0 -##N10 total= 0 close= 0 far= 0 %acc 0.0 -##N11 total= 0 close= 0 far= 0 %acc 0.0 -##N12 total= 0 close= 0 far= 0 %acc 0.0 -##N13 total= 0 close= 0 far= 0 %acc 0.0 -##N14 total= 0 close= 0 far= 0 %acc 0.0 -##N15 total= 0 close= 0 far= 0 %acc 0.0 -##N16 total= 0 close= 0 far= 0 %acc 0.0 -##N17 total= 0 close= 0 far= 0 %acc 0.0 -##N18 total= 0 close= 0 far= 0 %acc 0.0 - ### Total stats: -### N0 total= 2020 close=1011 far= 0 %acc 50.0 -### N1 total= 10100 close= 617 far= 109 %acc 7.2 -### N2 total= 10100 close= 569 far= 160 %acc 7.2 -### N3 total= 0 close= 0 far= 0 %acc 0.0 -### N4 total= 0 close= 0 far= 0 %acc 0.0 -### N5 total= 0 close= 0 far= 0 %acc 0.0 -### N6 total= 20200 close=2266 far= 631 %acc 14.3 -### N7 total= 0 close= 0 far= 0 %acc 0.0 -### N8 total= 0 close= 0 far= 0 %acc 0.0 -### N9 total= 0 close= 0 far= 0 %acc 0.0 -###N10 total= 0 close= 0 far= 0 %acc 0.0 -###N11 total= 0 close= 0 far= 0 %acc 0.0 -###N12 total= 0 close= 0 far= 0 %acc 0.0 -###N13 total= 0 close= 0 far= 0 %acc 0.0 -###N14 total= 0 close= 0 far= 0 %acc 0.0 -###N15 total= 0 close= 0 far= 0 %acc 0.0 -###N16 total= 0 close= 0 far= 0 %acc 0.0 -###N17 total= 0 close= 0 far= 0 %acc 0.0 -###N18 total= 0 close= 0 far= 0 %acc 0.0 - End of RUN, master time 194.328125000000 sec - Total eval/s 65012.9774061269 -CG processor 0 is finishing work. - Total wall clock time 198.527343750000 sec diff --git a/examples/unres/CSA/GAB/CSA/1l2y_csa.out_GB001 b/examples/unres/CSA/GAB/CSA/1l2y_csa.out_GB001 deleted file mode 100644 index 88a029d..0000000 --- a/examples/unres/CSA/GAB/CSA/1l2y_csa.out_GB001 +++ /dev/null @@ -1,1621 +0,0 @@ -******************************************************************************** -United-residue force field calculation - parallel job. -******************************************************************************** - MPI: node= 1 iseed= -6119485 - ran_num 0.547506363186177 -RMSDBC = 3.0 -RMSDBC1 = 0.5 -RMSDBC1MAX = 1.5 -DRMS = 0.1 -RMSDBCM = 3.0 -Time limit (min): 960.0 - RESCALE_MODE 0 -Library routine used to diagonalize matrices. - -******************************************************************************** - Options in energy minimization: -******************************************************************************** -MaxMin: 3000 MaxFun: 1000MinMin: 3000 MinFun: 3000 TolF: 1.00000E-02 RTolF: 1.00000E-04 - NCONF_IN 0 - -Energy-term weights (unscaled): - -WSCC= 1.352790 (SC-SC) -WSCP= 1.593040 (SC-p) -WELEC= 0.715340 (p-p electr) -WVDWPP= 0.113710 (p-p VDW) -WBOND= 1.000000 (stretching) -WANG= 1.138730 (bending) -WSCLOC= 0.162580 (SC local) -WTOR= 1.985990 (torsional) -WTORD= 1.570690 (double torsional) -WSTRAIN= 1.000000 (SS bridges & dist. cnstr.) -WEL_LOC= 0.160360 (multi-body 3-rd order) -WCORR4= 0.428870 (multi-body 4th order) -WCORR5= 0.000000 (multi-body 5th order) -WCORR6= 0.000000 (multi-body 6th order) -WSCCOR= 0.000000 (back-scloc correlation) -WTURN3= 1.687220 (turns, 3rd order) -WTURN4= 0.662300 (turns, 4th order) -WTURN6= 0.000000 (turns, 6th order) -WDFA_D= 0.000000 (DFA, distance) -WDFA_T= 0.000000 (DFA, torsional) -WDFA_N= 0.000000 (DFA, number of neighbor) -WDFA_B= 0.000000 (DFA, beta formation) - -Hydrogen-bonding correlation between contact pairs of peptide groups - -Scaling factor of 1,4 SC-p interactions: 0.400 -General scaling factor of SC-p interactions: 1.000 - -Energy-term weights (scaled): - -WSCC= 1.352790 (SC-SC) -WSCP= 1.593040 (SC-p) -WELEC= 0.715340 (p-p electr) -WVDWPP= 0.113710 (p-p VDW) -WBOND= 1.000000 (stretching) -WANG= 1.138730 (bending) -WSCLOC= 0.162580 (SC local) -WTOR= 1.985990 (torsional) -WTORD= 1.570690 (double torsional) -WSTRAIN= 1.000000 (SS bridges & dist. cnstr.) -WEL_LOC= 0.160360 (multi-body 3-rd order) -WCORR4= 0.428870 (multi-body 4th order) -WCORR5= 0.000000 (multi-body 5th order) -WCORR6= 0.000000 (multi-body 6th order) -WSCCOR= 0.000000 (back-scloc correlatkion) -WTURN3= 1.687220 (turns, 3rd order) -WTURN4= 0.662300 (turns, 4th order) -WTURN6= 0.000000 (turns, 6th order) -WDFA_D= 0.000000 (DFA, distance) -WDFA_T= 0.000000 (DFA, torsional) -WDFA_N= 0.000000 (DFA, number of neighbor) -WDFA_B= 0.000000 (DFA, beta formation) - Reference temperature for weights calculation: 300.000000000000 - Parameters of the SS-bond potential: - D0CM 3.78000000000000 AKCM 15.1000000000000 AKTH - 11.0000000000000 AKCT 12.0000000000000 - V1SS -1.08000000000000 V2SS 7.61000000000000 V3SS - 13.7000000000000 - EBR -5.50000000000000 - ITEL - 1 21 0 - 2 14 1 - 3 5 1 - 4 8 1 - 5 4 1 - 6 13 1 - 7 7 1 - 8 5 1 - 9 19 1 - 10 16 1 - 11 10 1 - 12 10 2 - 13 20 1 - 14 12 1 - 15 12 1 - 16 10 1 - 17 18 2 - 18 20 2 - 19 20 2 - 20 20 1 - 21 12 0 - ns= 0 iss: - NZ_START= 2 NZ_END= 21 - IZ_SC= 0 - -Geometry of the virtual chain. - Res d Theta Gamma Dsc Alpha Beta -D 1 0.000 0.000 0.000 0.000 0.000 0.000 -ASN 2 3.800 0.000 0.000 1.684 0.000 0.000 -LEU 3 3.800 0.000 0.000 1.939 0.000 0.000 -TYR 4 3.800 0.000 0.000 2.484 0.000 0.000 -ILE 5 3.800 0.000 0.000 1.776 0.000 0.000 -GLN 6 3.800 0.000 0.000 2.240 0.000 0.000 -TRP 7 3.800 0.000 0.000 2.605 0.000 0.000 -LEU 8 3.800 0.000 0.000 1.939 0.000 0.000 -LYS 9 3.800 0.000 0.000 2.541 0.000 0.000 -ASP 10 3.800 0.000 0.000 1.709 0.000 0.000 -GLY 11 3.800 0.000 0.000 0.000 0.000 0.000 -GLY 12 3.800 0.000 0.000 0.000 0.000 0.000 -PRO 13 3.800 0.000 0.000 1.345 0.000 0.000 -SER 14 3.800 0.000 0.000 1.150 0.000 0.000 -SER 15 3.800 0.000 0.000 1.150 0.000 0.000 -GLY 16 3.800 0.000 0.000 0.000 0.000 0.000 -ARG 17 3.800 0.000 0.000 3.020 0.000 0.000 -PRO 18 3.800 0.000 0.000 1.345 0.000 0.000 -PRO 19 3.800 0.000 0.000 1.345 0.000 0.000 -PRO 20 3.800 0.000 0.000 1.345 0.000 0.000 -SER 21 3.800 0.000 0.000 1.150 0.000 0.000 -D 22 3.800 0.000 0.000 0.000 0.000 0.000 - - -******************************************************************************** - Processor 1: end reading molecular data. -******************************************************************************** - - -CSA calculations calculation. - -Conformations will be energy-minimized. -******************************************************************************** - -Waiting for 0.1484 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec - Finishing minim_jlee - signal 0 from master -Waiting for 0.5977 sec -Waiting for 0.0117 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0078 sec -Waiting for 0.5508 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.4883 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 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-Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.3398 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.3086 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.2539 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.3711 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.3086 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.3438 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.3945 sec -Waiting for 0.0078 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.2734 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.3359 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.5898 sec -Waiting for 0.0117 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.4219 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.5625 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.3047 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.3281 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.2695 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.4023 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.3008 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.2930 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.2852 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.3477 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.2383 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.3594 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.3398 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.3359 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.3477 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.3984 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.7539 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.3750 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.9141 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.3047 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.4102 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.3242 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.3398 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.5312 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.3750 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.3789 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.8242 sec -Waiting for 0.0508 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.2227 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.4297 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.3711 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.3242 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.3555 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.3711 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.3047 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.5430 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.2422 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.3320 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.3086 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.3164 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.2930 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.3398 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.2852 sec -Waiting for 0.0078 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.2812 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.3945 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0312 sec -Waiting for 0.3828 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.4375 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.3359 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.3359 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0078 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.2812 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.3203 sec -Waiting for 0.0156 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.2969 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.4336 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.3047 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.3320 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.3672 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.2070 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.3203 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.4609 sec - Finishing minim_jlee - signal 0 from master - End of minim, proc 1 time 194.410156250000 -CG processor 1 is finishing work. - Total wall clock time 198.527343750000 sec diff --git a/examples/unres/CSA/GAB/CSA/1l2y_csa.out_GB002 b/examples/unres/CSA/GAB/CSA/1l2y_csa.out_GB002 deleted file mode 100644 index 356f2ce..0000000 --- a/examples/unres/CSA/GAB/CSA/1l2y_csa.out_GB002 +++ /dev/null @@ -1,1619 +0,0 @@ -******************************************************************************** -United-residue force field calculation - parallel job. -******************************************************************************** - MPI: node= 2 iseed= -9179228 - ran_num 0.821258609038956 -RMSDBC = 3.0 -RMSDBC1 = 0.5 -RMSDBC1MAX = 1.5 -DRMS = 0.1 -RMSDBCM = 3.0 -Time limit (min): 960.0 - RESCALE_MODE 0 -Library routine used to diagonalize matrices. - -******************************************************************************** - Options in energy minimization: -******************************************************************************** -MaxMin: 3000 MaxFun: 1000MinMin: 3000 MinFun: 3000 TolF: 1.00000E-02 RTolF: 1.00000E-04 - NCONF_IN 0 - -Energy-term weights (unscaled): - -WSCC= 1.352790 (SC-SC) -WSCP= 1.593040 (SC-p) -WELEC= 0.715340 (p-p electr) -WVDWPP= 0.113710 (p-p VDW) -WBOND= 1.000000 (stretching) -WANG= 1.138730 (bending) -WSCLOC= 0.162580 (SC local) -WTOR= 1.985990 (torsional) -WTORD= 1.570690 (double torsional) -WSTRAIN= 1.000000 (SS bridges & dist. cnstr.) -WEL_LOC= 0.160360 (multi-body 3-rd order) -WCORR4= 0.428870 (multi-body 4th order) -WCORR5= 0.000000 (multi-body 5th order) -WCORR6= 0.000000 (multi-body 6th order) -WSCCOR= 0.000000 (back-scloc correlation) -WTURN3= 1.687220 (turns, 3rd order) -WTURN4= 0.662300 (turns, 4th order) -WTURN6= 0.000000 (turns, 6th order) -WDFA_D= 0.000000 (DFA, distance) -WDFA_T= 0.000000 (DFA, torsional) -WDFA_N= 0.000000 (DFA, number of neighbor) -WDFA_B= 0.000000 (DFA, beta formation) - -Hydrogen-bonding correlation between contact pairs of peptide groups - -Scaling factor of 1,4 SC-p interactions: 0.400 -General scaling factor of SC-p interactions: 1.000 - -Energy-term weights (scaled): - -WSCC= 1.352790 (SC-SC) -WSCP= 1.593040 (SC-p) -WELEC= 0.715340 (p-p electr) -WVDWPP= 0.113710 (p-p VDW) -WBOND= 1.000000 (stretching) -WANG= 1.138730 (bending) -WSCLOC= 0.162580 (SC local) -WTOR= 1.985990 (torsional) -WTORD= 1.570690 (double torsional) -WSTRAIN= 1.000000 (SS bridges & dist. cnstr.) -WEL_LOC= 0.160360 (multi-body 3-rd order) -WCORR4= 0.428870 (multi-body 4th order) -WCORR5= 0.000000 (multi-body 5th order) -WCORR6= 0.000000 (multi-body 6th order) -WSCCOR= 0.000000 (back-scloc correlatkion) -WTURN3= 1.687220 (turns, 3rd order) -WTURN4= 0.662300 (turns, 4th order) -WTURN6= 0.000000 (turns, 6th order) -WDFA_D= 0.000000 (DFA, distance) -WDFA_T= 0.000000 (DFA, torsional) -WDFA_N= 0.000000 (DFA, number of neighbor) -WDFA_B= 0.000000 (DFA, beta formation) - Reference temperature for weights calculation: 300.000000000000 - Parameters of the SS-bond potential: - D0CM 3.78000000000000 AKCM 15.1000000000000 AKTH - 11.0000000000000 AKCT 12.0000000000000 - V1SS -1.08000000000000 V2SS 7.61000000000000 V3SS - 13.7000000000000 - EBR -5.50000000000000 - ITEL - 1 21 0 - 2 14 1 - 3 5 1 - 4 8 1 - 5 4 1 - 6 13 1 - 7 7 1 - 8 5 1 - 9 19 1 - 10 16 1 - 11 10 1 - 12 10 2 - 13 20 1 - 14 12 1 - 15 12 1 - 16 10 1 - 17 18 2 - 18 20 2 - 19 20 2 - 20 20 1 - 21 12 0 - ns= 0 iss: - NZ_START= 2 NZ_END= 21 - IZ_SC= 0 - -Geometry of the virtual chain. - Res d Theta Gamma Dsc Alpha Beta -D 1 0.000 0.000 0.000 0.000 0.000 0.000 -ASN 2 3.800 0.000 0.000 1.684 0.000 0.000 -LEU 3 3.800 0.000 0.000 1.939 0.000 0.000 -TYR 4 3.800 0.000 0.000 2.484 0.000 0.000 -ILE 5 3.800 0.000 0.000 1.776 0.000 0.000 -GLN 6 3.800 0.000 0.000 2.240 0.000 0.000 -TRP 7 3.800 0.000 0.000 2.605 0.000 0.000 -LEU 8 3.800 0.000 0.000 1.939 0.000 0.000 -LYS 9 3.800 0.000 0.000 2.541 0.000 0.000 -ASP 10 3.800 0.000 0.000 1.709 0.000 0.000 -GLY 11 3.800 0.000 0.000 0.000 0.000 0.000 -GLY 12 3.800 0.000 0.000 0.000 0.000 0.000 -PRO 13 3.800 0.000 0.000 1.345 0.000 0.000 -SER 14 3.800 0.000 0.000 1.150 0.000 0.000 -SER 15 3.800 0.000 0.000 1.150 0.000 0.000 -GLY 16 3.800 0.000 0.000 0.000 0.000 0.000 -ARG 17 3.800 0.000 0.000 3.020 0.000 0.000 -PRO 18 3.800 0.000 0.000 1.345 0.000 0.000 -PRO 19 3.800 0.000 0.000 1.345 0.000 0.000 -PRO 20 3.800 0.000 0.000 1.345 0.000 0.000 -SER 21 3.800 0.000 0.000 1.150 0.000 0.000 -D 22 3.800 0.000 0.000 0.000 0.000 0.000 - - -******************************************************************************** - Processor 2: end reading molecular data. -******************************************************************************** - - -CSA calculations calculation. - -Conformations will be energy-minimized. -******************************************************************************** - -Waiting for 0.1523 sec -Waiting for 0.0078 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec - Finishing minim_jlee - signal 0 from master -Waiting for 0.5977 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0508 sec -Waiting for 0.5430 sec -Waiting for 0.0586 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0352 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.5078 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0430 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.8125 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0117 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 1.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec 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0.3438 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.3750 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.7578 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec 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0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.3164 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0078 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.3125 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.2695 sec -Waiting for 0.0391 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec 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0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0234 sec -Waiting for 0.3594 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.3555 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.2930 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.3320 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0586 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.2734 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.3203 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.3672 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.4062 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.3398 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.2461 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.4023 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.2266 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.2031 sec -Waiting for 0.0078 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.4141 sec - Finishing minim_jlee - signal 0 from master - End of minim, proc 2 time 194.410156250000 -CG processor 2 is finishing work. - Total wall clock time 198.527343750000 sec diff --git a/examples/unres/CSA/GAB/CSA/1l2y_csa.out_GB003 b/examples/unres/CSA/GAB/CSA/1l2y_csa.out_GB003 deleted file mode 100644 index a435579..0000000 --- a/examples/unres/CSA/GAB/CSA/1l2y_csa.out_GB003 +++ /dev/null @@ -1,1636 +0,0 @@ -******************************************************************************** -United-residue force field calculation - parallel job. -******************************************************************************** - MPI: node= 3 iseed= -12238971 - ran_num 9.501085489173544E-002 -RMSDBC = 3.0 -RMSDBC1 = 0.5 -RMSDBC1MAX = 1.5 -DRMS = 0.1 -RMSDBCM = 3.0 -Time limit (min): 960.0 - RESCALE_MODE 0 -Library routine used to diagonalize matrices. - -******************************************************************************** - Options in energy minimization: -******************************************************************************** -MaxMin: 3000 MaxFun: 1000MinMin: 3000 MinFun: 3000 TolF: 1.00000E-02 RTolF: 1.00000E-04 - NCONF_IN 0 - -Energy-term weights (unscaled): - -WSCC= 1.352790 (SC-SC) -WSCP= 1.593040 (SC-p) -WELEC= 0.715340 (p-p electr) -WVDWPP= 0.113710 (p-p VDW) -WBOND= 1.000000 (stretching) -WANG= 1.138730 (bending) -WSCLOC= 0.162580 (SC local) -WTOR= 1.985990 (torsional) -WTORD= 1.570690 (double torsional) -WSTRAIN= 1.000000 (SS bridges & dist. cnstr.) -WEL_LOC= 0.160360 (multi-body 3-rd order) -WCORR4= 0.428870 (multi-body 4th order) -WCORR5= 0.000000 (multi-body 5th order) -WCORR6= 0.000000 (multi-body 6th order) -WSCCOR= 0.000000 (back-scloc correlation) -WTURN3= 1.687220 (turns, 3rd order) -WTURN4= 0.662300 (turns, 4th order) -WTURN6= 0.000000 (turns, 6th order) -WDFA_D= 0.000000 (DFA, distance) -WDFA_T= 0.000000 (DFA, torsional) -WDFA_N= 0.000000 (DFA, number of neighbor) -WDFA_B= 0.000000 (DFA, beta formation) - -Hydrogen-bonding correlation between contact pairs of peptide groups - -Scaling factor of 1,4 SC-p interactions: 0.400 -General scaling factor of SC-p interactions: 1.000 - -Energy-term weights (scaled): - -WSCC= 1.352790 (SC-SC) -WSCP= 1.593040 (SC-p) -WELEC= 0.715340 (p-p electr) -WVDWPP= 0.113710 (p-p VDW) -WBOND= 1.000000 (stretching) -WANG= 1.138730 (bending) -WSCLOC= 0.162580 (SC local) -WTOR= 1.985990 (torsional) -WTORD= 1.570690 (double torsional) -WSTRAIN= 1.000000 (SS bridges & dist. cnstr.) -WEL_LOC= 0.160360 (multi-body 3-rd order) -WCORR4= 0.428870 (multi-body 4th order) -WCORR5= 0.000000 (multi-body 5th order) -WCORR6= 0.000000 (multi-body 6th order) -WSCCOR= 0.000000 (back-scloc correlatkion) -WTURN3= 1.687220 (turns, 3rd order) -WTURN4= 0.662300 (turns, 4th order) -WTURN6= 0.000000 (turns, 6th order) -WDFA_D= 0.000000 (DFA, distance) -WDFA_T= 0.000000 (DFA, torsional) -WDFA_N= 0.000000 (DFA, number of neighbor) -WDFA_B= 0.000000 (DFA, beta formation) - Reference temperature for weights calculation: 300.000000000000 - Parameters of the SS-bond potential: - D0CM 3.78000000000000 AKCM 15.1000000000000 AKTH - 11.0000000000000 AKCT 12.0000000000000 - V1SS -1.08000000000000 V2SS 7.61000000000000 V3SS - 13.7000000000000 - EBR -5.50000000000000 - ITEL - 1 21 0 - 2 14 1 - 3 5 1 - 4 8 1 - 5 4 1 - 6 13 1 - 7 7 1 - 8 5 1 - 9 19 1 - 10 16 1 - 11 10 1 - 12 10 2 - 13 20 1 - 14 12 1 - 15 12 1 - 16 10 1 - 17 18 2 - 18 20 2 - 19 20 2 - 20 20 1 - 21 12 0 - ns= 0 iss: - NZ_START= 2 NZ_END= 21 - IZ_SC= 0 - -Geometry of the virtual chain. - Res d Theta Gamma Dsc Alpha Beta -D 1 0.000 0.000 0.000 0.000 0.000 0.000 -ASN 2 3.800 0.000 0.000 1.684 0.000 0.000 -LEU 3 3.800 0.000 0.000 1.939 0.000 0.000 -TYR 4 3.800 0.000 0.000 2.484 0.000 0.000 -ILE 5 3.800 0.000 0.000 1.776 0.000 0.000 -GLN 6 3.800 0.000 0.000 2.240 0.000 0.000 -TRP 7 3.800 0.000 0.000 2.605 0.000 0.000 -LEU 8 3.800 0.000 0.000 1.939 0.000 0.000 -LYS 9 3.800 0.000 0.000 2.541 0.000 0.000 -ASP 10 3.800 0.000 0.000 1.709 0.000 0.000 -GLY 11 3.800 0.000 0.000 0.000 0.000 0.000 -GLY 12 3.800 0.000 0.000 0.000 0.000 0.000 -PRO 13 3.800 0.000 0.000 1.345 0.000 0.000 -SER 14 3.800 0.000 0.000 1.150 0.000 0.000 -SER 15 3.800 0.000 0.000 1.150 0.000 0.000 -GLY 16 3.800 0.000 0.000 0.000 0.000 0.000 -ARG 17 3.800 0.000 0.000 3.020 0.000 0.000 -PRO 18 3.800 0.000 0.000 1.345 0.000 0.000 -PRO 19 3.800 0.000 0.000 1.345 0.000 0.000 -PRO 20 3.800 0.000 0.000 1.345 0.000 0.000 -SER 21 3.800 0.000 0.000 1.150 0.000 0.000 -D 22 3.800 0.000 0.000 0.000 0.000 0.000 - - -******************************************************************************** - Processor 3: end reading molecular data. -******************************************************************************** - - -CSA calculations calculation. - -Conformations will be energy-minimized. -******************************************************************************** - -Waiting for 0.1523 sec -Waiting for 0.0273 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec - Finishing minim_jlee - signal 0 from master -Waiting for 0.5977 sec -Waiting for 0.0352 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0312 sec -Waiting for 0.5234 sec -Waiting for 0.0586 sec -Waiting for 0.0469 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0078 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.4766 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0195 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 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0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.2461 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.2930 sec - Finishing minim_jlee - signal 0 from master - End of minim, proc 3 time 194.410156250000 -CG processor 3 is finishing work. - Total wall clock time 198.531250000000 sec diff --git a/examples/unres/CSA/GAB/CSA/1l2y_csa.out_GB004 b/examples/unres/CSA/GAB/CSA/1l2y_csa.out_GB004 deleted file mode 100644 index e02d7c1..0000000 --- a/examples/unres/CSA/GAB/CSA/1l2y_csa.out_GB004 +++ /dev/null @@ -1,1667 +0,0 @@ -******************************************************************************** -United-residue force field calculation - parallel job. -******************************************************************************** - MPI: node= 4 iseed= -15298714 - ran_num 0.368763100744515 -RMSDBC = 3.0 -RMSDBC1 = 0.5 -RMSDBC1MAX = 1.5 -DRMS = 0.1 -RMSDBCM = 3.0 -Time limit (min): 960.0 - RESCALE_MODE 0 -Library routine used to diagonalize matrices. - -******************************************************************************** - Options in energy minimization: -******************************************************************************** -MaxMin: 3000 MaxFun: 1000MinMin: 3000 MinFun: 3000 TolF: 1.00000E-02 RTolF: 1.00000E-04 - NCONF_IN 0 - -Energy-term weights (unscaled): - -WSCC= 1.352790 (SC-SC) -WSCP= 1.593040 (SC-p) -WELEC= 0.715340 (p-p electr) -WVDWPP= 0.113710 (p-p VDW) -WBOND= 1.000000 (stretching) -WANG= 1.138730 (bending) -WSCLOC= 0.162580 (SC local) -WTOR= 1.985990 (torsional) -WTORD= 1.570690 (double torsional) -WSTRAIN= 1.000000 (SS bridges & dist. cnstr.) -WEL_LOC= 0.160360 (multi-body 3-rd order) -WCORR4= 0.428870 (multi-body 4th order) -WCORR5= 0.000000 (multi-body 5th order) -WCORR6= 0.000000 (multi-body 6th order) -WSCCOR= 0.000000 (back-scloc correlation) -WTURN3= 1.687220 (turns, 3rd order) -WTURN4= 0.662300 (turns, 4th order) -WTURN6= 0.000000 (turns, 6th order) -WDFA_D= 0.000000 (DFA, distance) -WDFA_T= 0.000000 (DFA, torsional) -WDFA_N= 0.000000 (DFA, number of neighbor) -WDFA_B= 0.000000 (DFA, beta formation) - -Hydrogen-bonding correlation between contact pairs of peptide groups - -Scaling factor of 1,4 SC-p interactions: 0.400 -General scaling factor of SC-p interactions: 1.000 - -Energy-term weights (scaled): - -WSCC= 1.352790 (SC-SC) -WSCP= 1.593040 (SC-p) -WELEC= 0.715340 (p-p electr) -WVDWPP= 0.113710 (p-p VDW) -WBOND= 1.000000 (stretching) -WANG= 1.138730 (bending) -WSCLOC= 0.162580 (SC local) -WTOR= 1.985990 (torsional) -WTORD= 1.570690 (double torsional) -WSTRAIN= 1.000000 (SS bridges & dist. cnstr.) -WEL_LOC= 0.160360 (multi-body 3-rd order) -WCORR4= 0.428870 (multi-body 4th order) -WCORR5= 0.000000 (multi-body 5th order) -WCORR6= 0.000000 (multi-body 6th order) -WSCCOR= 0.000000 (back-scloc correlatkion) -WTURN3= 1.687220 (turns, 3rd order) -WTURN4= 0.662300 (turns, 4th order) -WTURN6= 0.000000 (turns, 6th order) -WDFA_D= 0.000000 (DFA, distance) -WDFA_T= 0.000000 (DFA, torsional) -WDFA_N= 0.000000 (DFA, number of neighbor) -WDFA_B= 0.000000 (DFA, beta formation) - Reference temperature for weights calculation: 300.000000000000 - Parameters of the SS-bond potential: - D0CM 3.78000000000000 AKCM 15.1000000000000 AKTH - 11.0000000000000 AKCT 12.0000000000000 - V1SS -1.08000000000000 V2SS 7.61000000000000 V3SS - 13.7000000000000 - EBR -5.50000000000000 - ITEL - 1 21 0 - 2 14 1 - 3 5 1 - 4 8 1 - 5 4 1 - 6 13 1 - 7 7 1 - 8 5 1 - 9 19 1 - 10 16 1 - 11 10 1 - 12 10 2 - 13 20 1 - 14 12 1 - 15 12 1 - 16 10 1 - 17 18 2 - 18 20 2 - 19 20 2 - 20 20 1 - 21 12 0 - ns= 0 iss: - NZ_START= 2 NZ_END= 21 - IZ_SC= 0 - -Geometry of the virtual chain. - Res d Theta Gamma Dsc Alpha Beta -D 1 0.000 0.000 0.000 0.000 0.000 0.000 -ASN 2 3.800 0.000 0.000 1.684 0.000 0.000 -LEU 3 3.800 0.000 0.000 1.939 0.000 0.000 -TYR 4 3.800 0.000 0.000 2.484 0.000 0.000 -ILE 5 3.800 0.000 0.000 1.776 0.000 0.000 -GLN 6 3.800 0.000 0.000 2.240 0.000 0.000 -TRP 7 3.800 0.000 0.000 2.605 0.000 0.000 -LEU 8 3.800 0.000 0.000 1.939 0.000 0.000 -LYS 9 3.800 0.000 0.000 2.541 0.000 0.000 -ASP 10 3.800 0.000 0.000 1.709 0.000 0.000 -GLY 11 3.800 0.000 0.000 0.000 0.000 0.000 -GLY 12 3.800 0.000 0.000 0.000 0.000 0.000 -PRO 13 3.800 0.000 0.000 1.345 0.000 0.000 -SER 14 3.800 0.000 0.000 1.150 0.000 0.000 -SER 15 3.800 0.000 0.000 1.150 0.000 0.000 -GLY 16 3.800 0.000 0.000 0.000 0.000 0.000 -ARG 17 3.800 0.000 0.000 3.020 0.000 0.000 -PRO 18 3.800 0.000 0.000 1.345 0.000 0.000 -PRO 19 3.800 0.000 0.000 1.345 0.000 0.000 -PRO 20 3.800 0.000 0.000 1.345 0.000 0.000 -SER 21 3.800 0.000 0.000 1.150 0.000 0.000 -D 22 3.800 0.000 0.000 0.000 0.000 0.000 - - -******************************************************************************** - Processor 4: end reading molecular data. -******************************************************************************** - - -CSA calculations calculation. - -Conformations will be energy-minimized. -******************************************************************************** - -Waiting for 0.1445 sec -Waiting for 0.0273 sec -Waiting for 0.0391 sec -Waiting for 0.0273 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec - Finishing minim_jlee - signal 0 from master -Waiting for 0.5977 sec -Waiting for 0.0156 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.4766 sec -Waiting for 0.0000 sec -Waiting for 0.0547 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0391 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.5156 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0469 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.8203 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.1641 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 1.0430 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.3281 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.3828 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0391 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.2266 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0547 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.3516 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0156 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.4805 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 1.4297 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.2773 sec -Waiting for 0.0000 sec -Waiting for 0.0156 sec -Waiting for 0.0078 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.4922 sec -Waiting for 0.0352 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.4219 sec -Waiting for 0.0273 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.3242 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.7461 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.3516 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.4258 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.3125 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 1.0234 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.2930 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0508 sec -Waiting for 0.5039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.1719 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0391 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.2969 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.3086 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.3242 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.2500 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.2969 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.4727 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.2578 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.2617 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0312 sec -Waiting for 0.2734 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.4766 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.3398 sec -Waiting for 0.0078 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.3164 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.3633 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.3320 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.3125 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.2578 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.3438 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.2656 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.3203 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.3945 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.2188 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0703 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.2617 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.5820 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.4961 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.5703 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.3320 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.3516 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.3672 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.3359 sec -Waiting for 0.0000 sec -Waiting for 0.0078 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.2305 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.3438 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.3203 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.3477 sec 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0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.3320 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0078 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.2812 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.3320 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.3203 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.3047 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.3555 sec - Finishing minim_jlee - signal 0 from master - End of minim, proc 4 time 194.406250000000 -CG processor 4 is finishing work. - Total wall clock time 198.640625000000 sec diff --git a/examples/unres/CSA/GAB/CSA/1l2y_csa.out_GB005 b/examples/unres/CSA/GAB/CSA/1l2y_csa.out_GB005 deleted file mode 100644 index 73ed6da..0000000 --- a/examples/unres/CSA/GAB/CSA/1l2y_csa.out_GB005 +++ /dev/null @@ -1,1704 +0,0 @@ -******************************************************************************** -United-residue force field calculation - parallel job. -******************************************************************************** - MPI: node= 5 iseed= -18358457 - ran_num 0.642515346597294 -RMSDBC = 3.0 -RMSDBC1 = 0.5 -RMSDBC1MAX = 1.5 -DRMS = 0.1 -RMSDBCM = 3.0 -Time limit (min): 960.0 - RESCALE_MODE 0 -Library routine used to diagonalize matrices. - -******************************************************************************** - Options in energy minimization: -******************************************************************************** -MaxMin: 3000 MaxFun: 1000MinMin: 3000 MinFun: 3000 TolF: 1.00000E-02 RTolF: 1.00000E-04 - NCONF_IN 0 - -Energy-term weights (unscaled): - -WSCC= 1.352790 (SC-SC) -WSCP= 1.593040 (SC-p) -WELEC= 0.715340 (p-p electr) -WVDWPP= 0.113710 (p-p VDW) -WBOND= 1.000000 (stretching) -WANG= 1.138730 (bending) -WSCLOC= 0.162580 (SC local) -WTOR= 1.985990 (torsional) -WTORD= 1.570690 (double torsional) -WSTRAIN= 1.000000 (SS bridges & dist. cnstr.) -WEL_LOC= 0.160360 (multi-body 3-rd order) -WCORR4= 0.428870 (multi-body 4th order) -WCORR5= 0.000000 (multi-body 5th order) -WCORR6= 0.000000 (multi-body 6th order) -WSCCOR= 0.000000 (back-scloc correlation) -WTURN3= 1.687220 (turns, 3rd order) -WTURN4= 0.662300 (turns, 4th order) -WTURN6= 0.000000 (turns, 6th order) -WDFA_D= 0.000000 (DFA, distance) -WDFA_T= 0.000000 (DFA, torsional) -WDFA_N= 0.000000 (DFA, number of neighbor) -WDFA_B= 0.000000 (DFA, beta formation) - -Hydrogen-bonding correlation between contact pairs of peptide groups - -Scaling factor of 1,4 SC-p interactions: 0.400 -General scaling factor of SC-p interactions: 1.000 - -Energy-term weights (scaled): - -WSCC= 1.352790 (SC-SC) -WSCP= 1.593040 (SC-p) -WELEC= 0.715340 (p-p electr) -WVDWPP= 0.113710 (p-p VDW) -WBOND= 1.000000 (stretching) -WANG= 1.138730 (bending) -WSCLOC= 0.162580 (SC local) -WTOR= 1.985990 (torsional) -WTORD= 1.570690 (double torsional) -WSTRAIN= 1.000000 (SS bridges & dist. cnstr.) -WEL_LOC= 0.160360 (multi-body 3-rd order) -WCORR4= 0.428870 (multi-body 4th order) -WCORR5= 0.000000 (multi-body 5th order) -WCORR6= 0.000000 (multi-body 6th order) -WSCCOR= 0.000000 (back-scloc correlatkion) -WTURN3= 1.687220 (turns, 3rd order) -WTURN4= 0.662300 (turns, 4th order) -WTURN6= 0.000000 (turns, 6th order) -WDFA_D= 0.000000 (DFA, distance) -WDFA_T= 0.000000 (DFA, torsional) -WDFA_N= 0.000000 (DFA, number of neighbor) -WDFA_B= 0.000000 (DFA, beta formation) - Reference temperature for weights calculation: 300.000000000000 - Parameters of the SS-bond potential: - D0CM 3.78000000000000 AKCM 15.1000000000000 AKTH - 11.0000000000000 AKCT 12.0000000000000 - V1SS -1.08000000000000 V2SS 7.61000000000000 V3SS - 13.7000000000000 - EBR -5.50000000000000 - ITEL - 1 21 0 - 2 14 1 - 3 5 1 - 4 8 1 - 5 4 1 - 6 13 1 - 7 7 1 - 8 5 1 - 9 19 1 - 10 16 1 - 11 10 1 - 12 10 2 - 13 20 1 - 14 12 1 - 15 12 1 - 16 10 1 - 17 18 2 - 18 20 2 - 19 20 2 - 20 20 1 - 21 12 0 - ns= 0 iss: - NZ_START= 2 NZ_END= 21 - IZ_SC= 0 - -Geometry of the virtual chain. - Res d Theta Gamma Dsc Alpha Beta -D 1 0.000 0.000 0.000 0.000 0.000 0.000 -ASN 2 3.800 0.000 0.000 1.684 0.000 0.000 -LEU 3 3.800 0.000 0.000 1.939 0.000 0.000 -TYR 4 3.800 0.000 0.000 2.484 0.000 0.000 -ILE 5 3.800 0.000 0.000 1.776 0.000 0.000 -GLN 6 3.800 0.000 0.000 2.240 0.000 0.000 -TRP 7 3.800 0.000 0.000 2.605 0.000 0.000 -LEU 8 3.800 0.000 0.000 1.939 0.000 0.000 -LYS 9 3.800 0.000 0.000 2.541 0.000 0.000 -ASP 10 3.800 0.000 0.000 1.709 0.000 0.000 -GLY 11 3.800 0.000 0.000 0.000 0.000 0.000 -GLY 12 3.800 0.000 0.000 0.000 0.000 0.000 -PRO 13 3.800 0.000 0.000 1.345 0.000 0.000 -SER 14 3.800 0.000 0.000 1.150 0.000 0.000 -SER 15 3.800 0.000 0.000 1.150 0.000 0.000 -GLY 16 3.800 0.000 0.000 0.000 0.000 0.000 -ARG 17 3.800 0.000 0.000 3.020 0.000 0.000 -PRO 18 3.800 0.000 0.000 1.345 0.000 0.000 -PRO 19 3.800 0.000 0.000 1.345 0.000 0.000 -PRO 20 3.800 0.000 0.000 1.345 0.000 0.000 -SER 21 3.800 0.000 0.000 1.150 0.000 0.000 -D 22 3.800 0.000 0.000 0.000 0.000 0.000 - - -******************************************************************************** - Processor 5: end reading molecular data. -******************************************************************************** - - -CSA calculations calculation. - -Conformations will be energy-minimized. -******************************************************************************** - -Waiting for 0.1523 sec -Waiting for 0.0039 sec -Waiting for 0.0234 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0078 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec - Finishing minim_jlee - signal 0 from master -Waiting for 0.5977 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0430 sec -Waiting for 0.5391 sec -Waiting for 0.0508 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.4961 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0078 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.8398 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0781 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 1.0547 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0117 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.3242 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.4375 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0742 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.2656 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.3945 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.4492 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 1.4492 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.2930 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.4062 sec -Waiting for 0.0000 sec -Waiting for 0.0312 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.5039 sec -Waiting for 0.1289 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.2969 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.7305 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.3438 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.4297 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.2969 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.9883 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.2188 sec -Waiting for 0.0000 sec -Waiting for 0.0195 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0742 sec -Waiting for 0.4883 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.2461 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0156 sec -Waiting for 0.0000 sec -Waiting for 0.0078 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.3438 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.3164 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.3086 sec -Waiting for 0.0078 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.2852 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.3359 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.5117 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.3281 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.3242 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0078 sec -Waiting for 0.3242 sec -Waiting for 0.0078 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.5195 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.2930 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.3203 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.3477 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.3555 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.3242 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.2695 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.3203 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.3359 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.3125 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.3828 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.2891 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0625 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.3398 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.5977 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.4844 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.5586 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.3086 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.3086 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0078 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.3711 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0078 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.3906 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.3008 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.3672 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 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-Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.3555 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0195 sec -Waiting for 0.4453 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0078 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.2812 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.3359 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.3359 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.3555 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.2578 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.4023 sec - Finishing minim_jlee - signal 0 from master - End of minim, proc 5 time 194.406250000000 -CG processor 5 is finishing work. - Total wall clock time 198.644531250000 sec diff --git a/examples/unres/CSA/GAB/CSA/1l2y_csa.out_GB006 b/examples/unres/CSA/GAB/CSA/1l2y_csa.out_GB006 deleted file mode 100644 index 117b116..0000000 --- a/examples/unres/CSA/GAB/CSA/1l2y_csa.out_GB006 +++ /dev/null @@ -1,1676 +0,0 @@ -******************************************************************************** -United-residue force field calculation - parallel job. -******************************************************************************** - MPI: node= 6 iseed= -21418200 - ran_num 0.916267592450074 -RMSDBC = 3.0 -RMSDBC1 = 0.5 -RMSDBC1MAX = 1.5 -DRMS = 0.1 -RMSDBCM = 3.0 -Time limit (min): 960.0 - RESCALE_MODE 0 -Library routine used to diagonalize matrices. - -******************************************************************************** - Options in energy minimization: -******************************************************************************** -MaxMin: 3000 MaxFun: 1000MinMin: 3000 MinFun: 3000 TolF: 1.00000E-02 RTolF: 1.00000E-04 - NCONF_IN 0 - -Energy-term weights (unscaled): - -WSCC= 1.352790 (SC-SC) -WSCP= 1.593040 (SC-p) -WELEC= 0.715340 (p-p electr) -WVDWPP= 0.113710 (p-p VDW) -WBOND= 1.000000 (stretching) -WANG= 1.138730 (bending) -WSCLOC= 0.162580 (SC local) -WTOR= 1.985990 (torsional) -WTORD= 1.570690 (double torsional) -WSTRAIN= 1.000000 (SS bridges & dist. cnstr.) -WEL_LOC= 0.160360 (multi-body 3-rd order) -WCORR4= 0.428870 (multi-body 4th order) -WCORR5= 0.000000 (multi-body 5th order) -WCORR6= 0.000000 (multi-body 6th order) -WSCCOR= 0.000000 (back-scloc correlation) -WTURN3= 1.687220 (turns, 3rd order) -WTURN4= 0.662300 (turns, 4th order) -WTURN6= 0.000000 (turns, 6th order) -WDFA_D= 0.000000 (DFA, distance) -WDFA_T= 0.000000 (DFA, torsional) -WDFA_N= 0.000000 (DFA, number of neighbor) -WDFA_B= 0.000000 (DFA, beta formation) - -Hydrogen-bonding correlation between contact pairs of peptide groups - -Scaling factor of 1,4 SC-p interactions: 0.400 -General scaling factor of SC-p interactions: 1.000 - -Energy-term weights (scaled): - -WSCC= 1.352790 (SC-SC) -WSCP= 1.593040 (SC-p) -WELEC= 0.715340 (p-p electr) -WVDWPP= 0.113710 (p-p VDW) -WBOND= 1.000000 (stretching) -WANG= 1.138730 (bending) -WSCLOC= 0.162580 (SC local) -WTOR= 1.985990 (torsional) -WTORD= 1.570690 (double torsional) -WSTRAIN= 1.000000 (SS bridges & dist. cnstr.) -WEL_LOC= 0.160360 (multi-body 3-rd order) -WCORR4= 0.428870 (multi-body 4th order) -WCORR5= 0.000000 (multi-body 5th order) -WCORR6= 0.000000 (multi-body 6th order) -WSCCOR= 0.000000 (back-scloc correlatkion) -WTURN3= 1.687220 (turns, 3rd order) -WTURN4= 0.662300 (turns, 4th order) -WTURN6= 0.000000 (turns, 6th order) -WDFA_D= 0.000000 (DFA, distance) -WDFA_T= 0.000000 (DFA, torsional) -WDFA_N= 0.000000 (DFA, number of neighbor) -WDFA_B= 0.000000 (DFA, beta formation) - Reference temperature for weights calculation: 300.000000000000 - Parameters of the SS-bond potential: - D0CM 3.78000000000000 AKCM 15.1000000000000 AKTH - 11.0000000000000 AKCT 12.0000000000000 - V1SS -1.08000000000000 V2SS 7.61000000000000 V3SS - 13.7000000000000 - EBR -5.50000000000000 - ITEL - 1 21 0 - 2 14 1 - 3 5 1 - 4 8 1 - 5 4 1 - 6 13 1 - 7 7 1 - 8 5 1 - 9 19 1 - 10 16 1 - 11 10 1 - 12 10 2 - 13 20 1 - 14 12 1 - 15 12 1 - 16 10 1 - 17 18 2 - 18 20 2 - 19 20 2 - 20 20 1 - 21 12 0 - ns= 0 iss: - NZ_START= 2 NZ_END= 21 - IZ_SC= 0 - -Geometry of the virtual chain. - Res d Theta Gamma Dsc Alpha Beta -D 1 0.000 0.000 0.000 0.000 0.000 0.000 -ASN 2 3.800 0.000 0.000 1.684 0.000 0.000 -LEU 3 3.800 0.000 0.000 1.939 0.000 0.000 -TYR 4 3.800 0.000 0.000 2.484 0.000 0.000 -ILE 5 3.800 0.000 0.000 1.776 0.000 0.000 -GLN 6 3.800 0.000 0.000 2.240 0.000 0.000 -TRP 7 3.800 0.000 0.000 2.605 0.000 0.000 -LEU 8 3.800 0.000 0.000 1.939 0.000 0.000 -LYS 9 3.800 0.000 0.000 2.541 0.000 0.000 -ASP 10 3.800 0.000 0.000 1.709 0.000 0.000 -GLY 11 3.800 0.000 0.000 0.000 0.000 0.000 -GLY 12 3.800 0.000 0.000 0.000 0.000 0.000 -PRO 13 3.800 0.000 0.000 1.345 0.000 0.000 -SER 14 3.800 0.000 0.000 1.150 0.000 0.000 -SER 15 3.800 0.000 0.000 1.150 0.000 0.000 -GLY 16 3.800 0.000 0.000 0.000 0.000 0.000 -ARG 17 3.800 0.000 0.000 3.020 0.000 0.000 -PRO 18 3.800 0.000 0.000 1.345 0.000 0.000 -PRO 19 3.800 0.000 0.000 1.345 0.000 0.000 -PRO 20 3.800 0.000 0.000 1.345 0.000 0.000 -SER 21 3.800 0.000 0.000 1.150 0.000 0.000 -D 22 3.800 0.000 0.000 0.000 0.000 0.000 - - -******************************************************************************** - Processor 6: end reading molecular data. -******************************************************************************** - - -CSA calculations calculation. - -Conformations will be energy-minimized. -******************************************************************************** - -Waiting for 0.1523 sec -Waiting for 0.1172 sec -Waiting for 0.0586 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0156 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec - Finishing minim_jlee - signal 0 from master -Waiting for 0.6016 sec -Waiting for 0.0391 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0156 sec -Waiting for 0.5586 sec -Waiting for 0.0117 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.4453 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.8750 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.1172 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 1.0391 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.3086 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.4805 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.2578 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.3750 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.4258 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 1.4414 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.2695 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0195 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.4141 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.4922 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.3086 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.7422 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.2305 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec 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0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.2695 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0078 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0664 sec -Waiting for 0.5000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.2266 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0078 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.3281 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.3242 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.3164 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.3008 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.3281 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.5156 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.3164 sec -Waiting for 0.0039 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.3555 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0391 sec -Waiting for 0.3281 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.5156 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.3320 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.3438 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.3008 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.3633 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0078 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.3477 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.2188 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.2812 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.3359 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.3164 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.3828 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.2695 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0234 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.3125 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.5938 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0078 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.4961 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.5703 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.2070 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.3633 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.3398 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.3906 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.2422 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.2969 sec -Waiting for 0.0000 sec -Waiting for 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0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.3164 sec -Waiting for 0.0195 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0078 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.3359 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.3242 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.4375 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.3477 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.1562 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.3828 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.3359 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.3203 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.3906 sec - Finishing minim_jlee - signal 0 from master - End of minim, proc 6 time 194.406250000000 -CG processor 6 is finishing work. - Total wall clock time 198.640625000000 sec diff --git a/examples/unres/CSA/GAB/CSA/1l2y_csa.out_GB007 b/examples/unres/CSA/GAB/CSA/1l2y_csa.out_GB007 deleted file mode 100644 index 4273fc5..0000000 --- a/examples/unres/CSA/GAB/CSA/1l2y_csa.out_GB007 +++ /dev/null @@ -1,1691 +0,0 @@ -******************************************************************************** -United-residue force field calculation - parallel job. -******************************************************************************** - MPI: node= 7 iseed= -24477943 - ran_num 0.190019838302853 -RMSDBC = 3.0 -RMSDBC1 = 0.5 -RMSDBC1MAX = 1.5 -DRMS = 0.1 -RMSDBCM = 3.0 -Time limit (min): 960.0 - RESCALE_MODE 0 -Library routine used to diagonalize matrices. - -******************************************************************************** - Options in energy minimization: -******************************************************************************** -MaxMin: 3000 MaxFun: 1000MinMin: 3000 MinFun: 3000 TolF: 1.00000E-02 RTolF: 1.00000E-04 - NCONF_IN 0 - -Energy-term weights (unscaled): - -WSCC= 1.352790 (SC-SC) -WSCP= 1.593040 (SC-p) -WELEC= 0.715340 (p-p electr) -WVDWPP= 0.113710 (p-p VDW) -WBOND= 1.000000 (stretching) -WANG= 1.138730 (bending) -WSCLOC= 0.162580 (SC local) -WTOR= 1.985990 (torsional) -WTORD= 1.570690 (double torsional) -WSTRAIN= 1.000000 (SS bridges & dist. cnstr.) -WEL_LOC= 0.160360 (multi-body 3-rd order) -WCORR4= 0.428870 (multi-body 4th order) -WCORR5= 0.000000 (multi-body 5th order) -WCORR6= 0.000000 (multi-body 6th order) -WSCCOR= 0.000000 (back-scloc correlation) -WTURN3= 1.687220 (turns, 3rd order) -WTURN4= 0.662300 (turns, 4th order) -WTURN6= 0.000000 (turns, 6th order) -WDFA_D= 0.000000 (DFA, distance) -WDFA_T= 0.000000 (DFA, torsional) -WDFA_N= 0.000000 (DFA, number of neighbor) -WDFA_B= 0.000000 (DFA, beta formation) - -Hydrogen-bonding correlation between contact pairs of peptide groups - -Scaling factor of 1,4 SC-p interactions: 0.400 -General scaling factor of SC-p interactions: 1.000 - -Energy-term weights (scaled): - -WSCC= 1.352790 (SC-SC) -WSCP= 1.593040 (SC-p) -WELEC= 0.715340 (p-p electr) -WVDWPP= 0.113710 (p-p VDW) -WBOND= 1.000000 (stretching) -WANG= 1.138730 (bending) -WSCLOC= 0.162580 (SC local) -WTOR= 1.985990 (torsional) -WTORD= 1.570690 (double torsional) -WSTRAIN= 1.000000 (SS bridges & dist. cnstr.) -WEL_LOC= 0.160360 (multi-body 3-rd order) -WCORR4= 0.428870 (multi-body 4th order) -WCORR5= 0.000000 (multi-body 5th order) -WCORR6= 0.000000 (multi-body 6th order) -WSCCOR= 0.000000 (back-scloc correlatkion) -WTURN3= 1.687220 (turns, 3rd order) -WTURN4= 0.662300 (turns, 4th order) -WTURN6= 0.000000 (turns, 6th order) -WDFA_D= 0.000000 (DFA, distance) -WDFA_T= 0.000000 (DFA, torsional) -WDFA_N= 0.000000 (DFA, number of neighbor) -WDFA_B= 0.000000 (DFA, beta formation) - Reference temperature for weights calculation: 300.000000000000 - Parameters of the SS-bond potential: - D0CM 3.78000000000000 AKCM 15.1000000000000 AKTH - 11.0000000000000 AKCT 12.0000000000000 - V1SS -1.08000000000000 V2SS 7.61000000000000 V3SS - 13.7000000000000 - EBR -5.50000000000000 - ITEL - 1 21 0 - 2 14 1 - 3 5 1 - 4 8 1 - 5 4 1 - 6 13 1 - 7 7 1 - 8 5 1 - 9 19 1 - 10 16 1 - 11 10 1 - 12 10 2 - 13 20 1 - 14 12 1 - 15 12 1 - 16 10 1 - 17 18 2 - 18 20 2 - 19 20 2 - 20 20 1 - 21 12 0 - ns= 0 iss: - NZ_START= 2 NZ_END= 21 - IZ_SC= 0 - -Geometry of the virtual chain. - Res d Theta Gamma Dsc Alpha Beta -D 1 0.000 0.000 0.000 0.000 0.000 0.000 -ASN 2 3.800 0.000 0.000 1.684 0.000 0.000 -LEU 3 3.800 0.000 0.000 1.939 0.000 0.000 -TYR 4 3.800 0.000 0.000 2.484 0.000 0.000 -ILE 5 3.800 0.000 0.000 1.776 0.000 0.000 -GLN 6 3.800 0.000 0.000 2.240 0.000 0.000 -TRP 7 3.800 0.000 0.000 2.605 0.000 0.000 -LEU 8 3.800 0.000 0.000 1.939 0.000 0.000 -LYS 9 3.800 0.000 0.000 2.541 0.000 0.000 -ASP 10 3.800 0.000 0.000 1.709 0.000 0.000 -GLY 11 3.800 0.000 0.000 0.000 0.000 0.000 -GLY 12 3.800 0.000 0.000 0.000 0.000 0.000 -PRO 13 3.800 0.000 0.000 1.345 0.000 0.000 -SER 14 3.800 0.000 0.000 1.150 0.000 0.000 -SER 15 3.800 0.000 0.000 1.150 0.000 0.000 -GLY 16 3.800 0.000 0.000 0.000 0.000 0.000 -ARG 17 3.800 0.000 0.000 3.020 0.000 0.000 -PRO 18 3.800 0.000 0.000 1.345 0.000 0.000 -PRO 19 3.800 0.000 0.000 1.345 0.000 0.000 -PRO 20 3.800 0.000 0.000 1.345 0.000 0.000 -SER 21 3.800 0.000 0.000 1.150 0.000 0.000 -D 22 3.800 0.000 0.000 0.000 0.000 0.000 - - -******************************************************************************** - Processor 7: end reading molecular data. -******************************************************************************** - - -CSA calculations calculation. - -Conformations will be energy-minimized. -******************************************************************************** - -Waiting for 0.1562 sec -Waiting for 0.1250 sec -Waiting for 0.0195 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec - Finishing minim_jlee - signal 0 from master -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0586 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.4727 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0078 sec -Waiting for 0.0273 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.8633 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.1484 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 1.0234 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0078 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.3242 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.5195 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0078 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.3164 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.4258 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.4961 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 1.4180 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.2969 sec -Waiting for 0.0000 sec -Waiting for 0.0195 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.4648 sec -Waiting for 0.0000 sec -Waiting for 0.0117 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.4453 sec -Waiting for 0.0000 sec -Waiting for 0.0273 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.3164 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.6836 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.3438 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.4336 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.3086 sec -Waiting for 0.0000 sec -Waiting for 0.0352 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 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0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.3086 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.3008 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.3516 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0117 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.4648 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.3398 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.3516 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.3164 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.4805 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.2734 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.3320 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.3281 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.3633 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.3242 sec -Waiting for 0.0078 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.2773 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.3359 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.3086 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.2852 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.3828 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.2930 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0742 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.1758 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.5664 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.4805 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.5508 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.3281 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.3477 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.3438 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.4102 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 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0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.3008 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.3594 sec - Finishing minim_jlee - signal 0 from master - End of minim, proc 7 time 191.367187500000 -CG processor 7 is finishing work. - Total wall clock time 198.640625000000 sec diff --git a/examples/unres/CSA/GAB/CSA/1l2y_csa.out_GB008 b/examples/unres/CSA/GAB/CSA/1l2y_csa.out_GB008 deleted file mode 100644 index 59b7ff4..0000000 --- a/examples/unres/CSA/GAB/CSA/1l2y_csa.out_GB008 +++ /dev/null @@ -1,1621 +0,0 @@ -******************************************************************************** -United-residue force field calculation - parallel job. -******************************************************************************** - MPI: node= 8 iseed= -27537686 - ran_num 0.463772084155633 -RMSDBC = 3.0 -RMSDBC1 = 0.5 -RMSDBC1MAX = 1.5 -DRMS = 0.1 -RMSDBCM = 3.0 -Time limit (min): 960.0 - RESCALE_MODE 0 -Library routine used to diagonalize matrices. - -******************************************************************************** - Options in energy minimization: -******************************************************************************** -MaxMin: 3000 MaxFun: 1000MinMin: 3000 MinFun: 3000 TolF: 1.00000E-02 RTolF: 1.00000E-04 - NCONF_IN 0 - -Energy-term weights (unscaled): - -WSCC= 1.352790 (SC-SC) -WSCP= 1.593040 (SC-p) -WELEC= 0.715340 (p-p electr) -WVDWPP= 0.113710 (p-p VDW) -WBOND= 1.000000 (stretching) -WANG= 1.138730 (bending) -WSCLOC= 0.162580 (SC local) -WTOR= 1.985990 (torsional) -WTORD= 1.570690 (double torsional) -WSTRAIN= 1.000000 (SS bridges & dist. cnstr.) -WEL_LOC= 0.160360 (multi-body 3-rd order) -WCORR4= 0.428870 (multi-body 4th order) -WCORR5= 0.000000 (multi-body 5th order) -WCORR6= 0.000000 (multi-body 6th order) -WSCCOR= 0.000000 (back-scloc correlation) -WTURN3= 1.687220 (turns, 3rd order) -WTURN4= 0.662300 (turns, 4th order) -WTURN6= 0.000000 (turns, 6th order) -WDFA_D= 0.000000 (DFA, distance) -WDFA_T= 0.000000 (DFA, torsional) -WDFA_N= 0.000000 (DFA, number of neighbor) -WDFA_B= 0.000000 (DFA, beta formation) - -Hydrogen-bonding correlation between contact pairs of peptide groups - -Scaling factor of 1,4 SC-p interactions: 0.400 -General scaling factor of SC-p interactions: 1.000 - -Energy-term weights (scaled): - -WSCC= 1.352790 (SC-SC) -WSCP= 1.593040 (SC-p) -WELEC= 0.715340 (p-p electr) -WVDWPP= 0.113710 (p-p VDW) -WBOND= 1.000000 (stretching) -WANG= 1.138730 (bending) -WSCLOC= 0.162580 (SC local) -WTOR= 1.985990 (torsional) -WTORD= 1.570690 (double torsional) -WSTRAIN= 1.000000 (SS bridges & dist. cnstr.) -WEL_LOC= 0.160360 (multi-body 3-rd order) -WCORR4= 0.428870 (multi-body 4th order) -WCORR5= 0.000000 (multi-body 5th order) -WCORR6= 0.000000 (multi-body 6th order) -WSCCOR= 0.000000 (back-scloc correlatkion) -WTURN3= 1.687220 (turns, 3rd order) -WTURN4= 0.662300 (turns, 4th order) -WTURN6= 0.000000 (turns, 6th order) -WDFA_D= 0.000000 (DFA, distance) -WDFA_T= 0.000000 (DFA, torsional) -WDFA_N= 0.000000 (DFA, number of neighbor) -WDFA_B= 0.000000 (DFA, beta formation) - Reference temperature for weights calculation: 300.000000000000 - Parameters of the SS-bond potential: - D0CM 3.78000000000000 AKCM 15.1000000000000 AKTH - 11.0000000000000 AKCT 12.0000000000000 - V1SS -1.08000000000000 V2SS 7.61000000000000 V3SS - 13.7000000000000 - EBR -5.50000000000000 - ITEL - 1 21 0 - 2 14 1 - 3 5 1 - 4 8 1 - 5 4 1 - 6 13 1 - 7 7 1 - 8 5 1 - 9 19 1 - 10 16 1 - 11 10 1 - 12 10 2 - 13 20 1 - 14 12 1 - 15 12 1 - 16 10 1 - 17 18 2 - 18 20 2 - 19 20 2 - 20 20 1 - 21 12 0 - ns= 0 iss: - NZ_START= 2 NZ_END= 21 - IZ_SC= 0 - -Geometry of the virtual chain. - Res d Theta Gamma Dsc Alpha Beta -D 1 0.000 0.000 0.000 0.000 0.000 0.000 -ASN 2 3.800 0.000 0.000 1.684 0.000 0.000 -LEU 3 3.800 0.000 0.000 1.939 0.000 0.000 -TYR 4 3.800 0.000 0.000 2.484 0.000 0.000 -ILE 5 3.800 0.000 0.000 1.776 0.000 0.000 -GLN 6 3.800 0.000 0.000 2.240 0.000 0.000 -TRP 7 3.800 0.000 0.000 2.605 0.000 0.000 -LEU 8 3.800 0.000 0.000 1.939 0.000 0.000 -LYS 9 3.800 0.000 0.000 2.541 0.000 0.000 -ASP 10 3.800 0.000 0.000 1.709 0.000 0.000 -GLY 11 3.800 0.000 0.000 0.000 0.000 0.000 -GLY 12 3.800 0.000 0.000 0.000 0.000 0.000 -PRO 13 3.800 0.000 0.000 1.345 0.000 0.000 -SER 14 3.800 0.000 0.000 1.150 0.000 0.000 -SER 15 3.800 0.000 0.000 1.150 0.000 0.000 -GLY 16 3.800 0.000 0.000 0.000 0.000 0.000 -ARG 17 3.800 0.000 0.000 3.020 0.000 0.000 -PRO 18 3.800 0.000 0.000 1.345 0.000 0.000 -PRO 19 3.800 0.000 0.000 1.345 0.000 0.000 -PRO 20 3.800 0.000 0.000 1.345 0.000 0.000 -SER 21 3.800 0.000 0.000 1.150 0.000 0.000 -D 22 3.800 0.000 0.000 0.000 0.000 0.000 - - -******************************************************************************** - Processor 8: end reading molecular data. -******************************************************************************** - - -CSA calculations calculation. - -Conformations will be energy-minimized. -******************************************************************************** - -Waiting for 0.1484 sec -Waiting for 0.0117 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec - Finishing minim_jlee - signal 0 from master -Waiting for 0.5977 sec -Waiting for 0.0352 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.5312 sec -Waiting for 0.0000 sec -Waiting for 0.0195 sec -Waiting for 0.0117 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0195 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.4922 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.8594 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.1367 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 1.0430 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0195 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.2383 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.5234 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0156 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.3281 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.4258 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0391 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.4492 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 1.4336 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.3047 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.4727 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.4883 sec -Waiting for 0.0000 sec -Waiting for 0.0742 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.2812 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.7344 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.3359 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.4062 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.3086 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 1.0391 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.2383 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0547 sec -Waiting for 0.5156 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec 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0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.3242 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.2422 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.3164 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.5195 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.3281 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.3750 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0078 sec -Waiting for 0.3086 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.5039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.3359 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.3164 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.3633 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.3516 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.3086 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.2539 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.2930 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.2656 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.2969 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.3516 sec -Waiting for 0.0156 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.2773 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0273 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.3359 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.5977 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.5000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.5586 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.3125 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.3672 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.3711 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.3945 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.2578 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 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-Waiting for 0.4609 sec - Finishing minim_jlee - signal 0 from master - End of minim, proc 8 time 194.406250000000 -CG processor 8 is finishing work. - Total wall clock time 198.640625000000 sec diff --git a/examples/unres/CSA/GAB/CSA/1l2y_csa.out_GB009 b/examples/unres/CSA/GAB/CSA/1l2y_csa.out_GB009 deleted file mode 100644 index 50dfd30..0000000 --- a/examples/unres/CSA/GAB/CSA/1l2y_csa.out_GB009 +++ /dev/null @@ -1,1632 +0,0 @@ -******************************************************************************** -United-residue force field calculation - parallel job. -******************************************************************************** - MPI: node= 9 iseed= -30597429 - ran_num 0.737524330008412 -RMSDBC = 3.0 -RMSDBC1 = 0.5 -RMSDBC1MAX = 1.5 -DRMS = 0.1 -RMSDBCM = 3.0 -Time limit (min): 960.0 - RESCALE_MODE 0 -Library routine used to diagonalize matrices. - -******************************************************************************** - Options in energy minimization: -******************************************************************************** -MaxMin: 3000 MaxFun: 1000MinMin: 3000 MinFun: 3000 TolF: 1.00000E-02 RTolF: 1.00000E-04 - NCONF_IN 0 - -Energy-term weights (unscaled): - -WSCC= 1.352790 (SC-SC) -WSCP= 1.593040 (SC-p) -WELEC= 0.715340 (p-p electr) -WVDWPP= 0.113710 (p-p VDW) -WBOND= 1.000000 (stretching) -WANG= 1.138730 (bending) -WSCLOC= 0.162580 (SC local) -WTOR= 1.985990 (torsional) -WTORD= 1.570690 (double torsional) -WSTRAIN= 1.000000 (SS bridges & dist. cnstr.) -WEL_LOC= 0.160360 (multi-body 3-rd order) -WCORR4= 0.428870 (multi-body 4th order) -WCORR5= 0.000000 (multi-body 5th order) -WCORR6= 0.000000 (multi-body 6th order) -WSCCOR= 0.000000 (back-scloc correlation) -WTURN3= 1.687220 (turns, 3rd order) -WTURN4= 0.662300 (turns, 4th order) -WTURN6= 0.000000 (turns, 6th order) -WDFA_D= 0.000000 (DFA, distance) -WDFA_T= 0.000000 (DFA, torsional) -WDFA_N= 0.000000 (DFA, number of neighbor) -WDFA_B= 0.000000 (DFA, beta formation) - -Hydrogen-bonding correlation between contact pairs of peptide groups - -Scaling factor of 1,4 SC-p interactions: 0.400 -General scaling factor of SC-p interactions: 1.000 - -Energy-term weights (scaled): - -WSCC= 1.352790 (SC-SC) -WSCP= 1.593040 (SC-p) -WELEC= 0.715340 (p-p electr) -WVDWPP= 0.113710 (p-p VDW) -WBOND= 1.000000 (stretching) -WANG= 1.138730 (bending) -WSCLOC= 0.162580 (SC local) -WTOR= 1.985990 (torsional) -WTORD= 1.570690 (double torsional) -WSTRAIN= 1.000000 (SS bridges & dist. cnstr.) -WEL_LOC= 0.160360 (multi-body 3-rd order) -WCORR4= 0.428870 (multi-body 4th order) -WCORR5= 0.000000 (multi-body 5th order) -WCORR6= 0.000000 (multi-body 6th order) -WSCCOR= 0.000000 (back-scloc correlatkion) -WTURN3= 1.687220 (turns, 3rd order) -WTURN4= 0.662300 (turns, 4th order) -WTURN6= 0.000000 (turns, 6th order) -WDFA_D= 0.000000 (DFA, distance) -WDFA_T= 0.000000 (DFA, torsional) -WDFA_N= 0.000000 (DFA, number of neighbor) -WDFA_B= 0.000000 (DFA, beta formation) - Reference temperature for weights calculation: 300.000000000000 - Parameters of the SS-bond potential: - D0CM 3.78000000000000 AKCM 15.1000000000000 AKTH - 11.0000000000000 AKCT 12.0000000000000 - V1SS -1.08000000000000 V2SS 7.61000000000000 V3SS - 13.7000000000000 - EBR -5.50000000000000 - ITEL - 1 21 0 - 2 14 1 - 3 5 1 - 4 8 1 - 5 4 1 - 6 13 1 - 7 7 1 - 8 5 1 - 9 19 1 - 10 16 1 - 11 10 1 - 12 10 2 - 13 20 1 - 14 12 1 - 15 12 1 - 16 10 1 - 17 18 2 - 18 20 2 - 19 20 2 - 20 20 1 - 21 12 0 - ns= 0 iss: - NZ_START= 2 NZ_END= 21 - IZ_SC= 0 - -Geometry of the virtual chain. - Res d Theta Gamma Dsc Alpha Beta -D 1 0.000 0.000 0.000 0.000 0.000 0.000 -ASN 2 3.800 0.000 0.000 1.684 0.000 0.000 -LEU 3 3.800 0.000 0.000 1.939 0.000 0.000 -TYR 4 3.800 0.000 0.000 2.484 0.000 0.000 -ILE 5 3.800 0.000 0.000 1.776 0.000 0.000 -GLN 6 3.800 0.000 0.000 2.240 0.000 0.000 -TRP 7 3.800 0.000 0.000 2.605 0.000 0.000 -LEU 8 3.800 0.000 0.000 1.939 0.000 0.000 -LYS 9 3.800 0.000 0.000 2.541 0.000 0.000 -ASP 10 3.800 0.000 0.000 1.709 0.000 0.000 -GLY 11 3.800 0.000 0.000 0.000 0.000 0.000 -GLY 12 3.800 0.000 0.000 0.000 0.000 0.000 -PRO 13 3.800 0.000 0.000 1.345 0.000 0.000 -SER 14 3.800 0.000 0.000 1.150 0.000 0.000 -SER 15 3.800 0.000 0.000 1.150 0.000 0.000 -GLY 16 3.800 0.000 0.000 0.000 0.000 0.000 -ARG 17 3.800 0.000 0.000 3.020 0.000 0.000 -PRO 18 3.800 0.000 0.000 1.345 0.000 0.000 -PRO 19 3.800 0.000 0.000 1.345 0.000 0.000 -PRO 20 3.800 0.000 0.000 1.345 0.000 0.000 -SER 21 3.800 0.000 0.000 1.150 0.000 0.000 -D 22 3.800 0.000 0.000 0.000 0.000 0.000 - - -******************************************************************************** - Processor 9: end reading molecular data. -******************************************************************************** - - -CSA calculations calculation. - -Conformations will be energy-minimized. -******************************************************************************** - -Waiting for 0.1484 sec -Waiting for 0.2773 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec - Finishing minim_jlee - signal 0 from master -Waiting for 0.5977 sec -Waiting for 0.0000 sec -Waiting for 0.0078 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.6016 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0508 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0273 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.4961 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0234 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0078 sec -Waiting for 0.0078 sec -Waiting for 0.8633 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0547 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 1.0195 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0273 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.2930 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.4961 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0781 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.2852 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.3867 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.4961 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 1.3867 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.3164 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.4766 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.4492 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.3242 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.7656 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.3164 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.4219 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.3281 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 1.0469 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.2461 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0586 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0742 sec -Waiting for 0.5117 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.2891 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.3320 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.3203 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.3398 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.3086 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.3594 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0430 sec -Waiting for 0.0117 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.5078 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.3203 sec -Waiting for 0.0078 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.3555 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.3672 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.4961 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.2227 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.3203 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.3047 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.3516 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.3555 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.2812 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.3711 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.3398 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.3281 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.2539 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.2617 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0664 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.3359 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.5898 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.4648 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.5742 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.3477 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.2891 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.3750 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.3555 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.2695 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.3633 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.3164 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.3047 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.3672 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.3555 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.3477 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.3477 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.3281 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.4023 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0078 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.7500 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.3281 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec 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0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.3594 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0312 sec -Waiting for 0.4414 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.2930 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.3438 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.3828 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.2891 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.2734 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.4219 sec - Finishing minim_jlee - signal 0 from master - End of minim, proc 9 time 194.406250000000 -CG processor 9 is finishing work. - Total wall clock time 198.636718750000 sec diff --git a/examples/unres/CSA/GAB/CSA/1l2y_csa.out_GB010 b/examples/unres/CSA/GAB/CSA/1l2y_csa.out_GB010 deleted file mode 100644 index 00188a5..0000000 --- a/examples/unres/CSA/GAB/CSA/1l2y_csa.out_GB010 +++ /dev/null @@ -1,1648 +0,0 @@ -******************************************************************************** -United-residue force field calculation - parallel job. -******************************************************************************** - MPI: node= 10 iseed= -33657172 - ran_num 1.127657586119180E-002 -RMSDBC = 3.0 -RMSDBC1 = 0.5 -RMSDBC1MAX = 1.5 -DRMS = 0.1 -RMSDBCM = 3.0 -Time limit (min): 960.0 - RESCALE_MODE 0 -Library routine used to diagonalize matrices. - -******************************************************************************** - Options in energy minimization: -******************************************************************************** -MaxMin: 3000 MaxFun: 1000MinMin: 3000 MinFun: 3000 TolF: 1.00000E-02 RTolF: 1.00000E-04 - NCONF_IN 0 - -Energy-term weights (unscaled): - -WSCC= 1.352790 (SC-SC) -WSCP= 1.593040 (SC-p) -WELEC= 0.715340 (p-p electr) -WVDWPP= 0.113710 (p-p VDW) -WBOND= 1.000000 (stretching) -WANG= 1.138730 (bending) -WSCLOC= 0.162580 (SC local) -WTOR= 1.985990 (torsional) -WTORD= 1.570690 (double torsional) -WSTRAIN= 1.000000 (SS bridges & dist. cnstr.) -WEL_LOC= 0.160360 (multi-body 3-rd order) -WCORR4= 0.428870 (multi-body 4th order) -WCORR5= 0.000000 (multi-body 5th order) -WCORR6= 0.000000 (multi-body 6th order) -WSCCOR= 0.000000 (back-scloc correlation) -WTURN3= 1.687220 (turns, 3rd order) -WTURN4= 0.662300 (turns, 4th order) -WTURN6= 0.000000 (turns, 6th order) -WDFA_D= 0.000000 (DFA, distance) -WDFA_T= 0.000000 (DFA, torsional) -WDFA_N= 0.000000 (DFA, number of neighbor) -WDFA_B= 0.000000 (DFA, beta formation) - -Hydrogen-bonding correlation between contact pairs of peptide groups - -Scaling factor of 1,4 SC-p interactions: 0.400 -General scaling factor of SC-p interactions: 1.000 - -Energy-term weights (scaled): - -WSCC= 1.352790 (SC-SC) -WSCP= 1.593040 (SC-p) -WELEC= 0.715340 (p-p electr) -WVDWPP= 0.113710 (p-p VDW) -WBOND= 1.000000 (stretching) -WANG= 1.138730 (bending) -WSCLOC= 0.162580 (SC local) -WTOR= 1.985990 (torsional) -WTORD= 1.570690 (double torsional) -WSTRAIN= 1.000000 (SS bridges & dist. cnstr.) -WEL_LOC= 0.160360 (multi-body 3-rd order) -WCORR4= 0.428870 (multi-body 4th order) -WCORR5= 0.000000 (multi-body 5th order) -WCORR6= 0.000000 (multi-body 6th order) -WSCCOR= 0.000000 (back-scloc correlatkion) -WTURN3= 1.687220 (turns, 3rd order) -WTURN4= 0.662300 (turns, 4th order) -WTURN6= 0.000000 (turns, 6th order) -WDFA_D= 0.000000 (DFA, distance) -WDFA_T= 0.000000 (DFA, torsional) -WDFA_N= 0.000000 (DFA, number of neighbor) -WDFA_B= 0.000000 (DFA, beta formation) - Reference temperature for weights calculation: 300.000000000000 - Parameters of the SS-bond potential: - D0CM 3.78000000000000 AKCM 15.1000000000000 AKTH - 11.0000000000000 AKCT 12.0000000000000 - V1SS -1.08000000000000 V2SS 7.61000000000000 V3SS - 13.7000000000000 - EBR -5.50000000000000 - ITEL - 1 21 0 - 2 14 1 - 3 5 1 - 4 8 1 - 5 4 1 - 6 13 1 - 7 7 1 - 8 5 1 - 9 19 1 - 10 16 1 - 11 10 1 - 12 10 2 - 13 20 1 - 14 12 1 - 15 12 1 - 16 10 1 - 17 18 2 - 18 20 2 - 19 20 2 - 20 20 1 - 21 12 0 - ns= 0 iss: - NZ_START= 2 NZ_END= 21 - IZ_SC= 0 - -Geometry of the virtual chain. - Res d Theta Gamma Dsc Alpha Beta -D 1 0.000 0.000 0.000 0.000 0.000 0.000 -ASN 2 3.800 0.000 0.000 1.684 0.000 0.000 -LEU 3 3.800 0.000 0.000 1.939 0.000 0.000 -TYR 4 3.800 0.000 0.000 2.484 0.000 0.000 -ILE 5 3.800 0.000 0.000 1.776 0.000 0.000 -GLN 6 3.800 0.000 0.000 2.240 0.000 0.000 -TRP 7 3.800 0.000 0.000 2.605 0.000 0.000 -LEU 8 3.800 0.000 0.000 1.939 0.000 0.000 -LYS 9 3.800 0.000 0.000 2.541 0.000 0.000 -ASP 10 3.800 0.000 0.000 1.709 0.000 0.000 -GLY 11 3.800 0.000 0.000 0.000 0.000 0.000 -GLY 12 3.800 0.000 0.000 0.000 0.000 0.000 -PRO 13 3.800 0.000 0.000 1.345 0.000 0.000 -SER 14 3.800 0.000 0.000 1.150 0.000 0.000 -SER 15 3.800 0.000 0.000 1.150 0.000 0.000 -GLY 16 3.800 0.000 0.000 0.000 0.000 0.000 -ARG 17 3.800 0.000 0.000 3.020 0.000 0.000 -PRO 18 3.800 0.000 0.000 1.345 0.000 0.000 -PRO 19 3.800 0.000 0.000 1.345 0.000 0.000 -PRO 20 3.800 0.000 0.000 1.345 0.000 0.000 -SER 21 3.800 0.000 0.000 1.150 0.000 0.000 -D 22 3.800 0.000 0.000 0.000 0.000 0.000 - - -******************************************************************************** - Processor 10: end reading molecular data. -******************************************************************************** - - -CSA calculations calculation. - -Conformations will be energy-minimized. -******************************************************************************** - -Waiting for 0.1445 sec -Waiting for 0.1719 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec - Finishing minim_jlee - signal 0 from master -Waiting for 0.6211 sec -Waiting for 0.0195 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.6016 sec -Waiting for 0.0078 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0273 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.5156 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.8633 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.1445 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 1.0234 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.3086 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.5156 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.3164 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0273 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.4219 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0430 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.4766 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 1.4531 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.2305 sec -Waiting for 0.0000 sec -Waiting for 0.0312 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0039 sec -Waiting for 0.4688 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.4922 sec -Waiting for 0.0469 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.3281 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.7500 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.3594 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.3867 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.3047 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 1.0352 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.2344 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0898 sec -Waiting for 0.4961 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.2734 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0469 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.2891 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.2969 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.3359 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0117 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.2969 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.3281 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0430 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.3750 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.3242 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.3320 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.3789 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0078 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.4961 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.2773 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.3047 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.3594 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.3633 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.3125 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.2578 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.3711 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.3125 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.3086 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.3438 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0039 sec -Waiting for 0.2539 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0820 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.3203 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.5977 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.5039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.5508 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.3008 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.3516 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.3398 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.3438 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.2930 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.3203 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0039 sec -Waiting for 0.1992 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.3242 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.3398 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.3750 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.3555 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.3516 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.3203 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.3867 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.6758 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.3711 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.9141 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.3281 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.3789 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.3516 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.3008 sec -Waiting for 0.0000 sec -Waiting for 0.5273 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.4688 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.4414 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec 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0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.3789 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0430 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.3438 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0391 sec -Waiting for 0.4062 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec 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0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.2891 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.3594 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.3516 sec -Waiting for 0.0039 sec 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0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.3203 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.2617 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0078 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec 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0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.3359 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.3125 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0742 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.3125 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.3359 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.3320 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0078 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.4414 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.3203 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.3359 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.3945 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.2344 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.3047 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.4648 sec - Finishing minim_jlee - signal 0 from master - End of minim, proc 10 time 194.410156250000 -CG processor 10 is finishing work. - Total wall clock time 198.636718750000 sec diff --git a/examples/unres/CSA/GAB/CSA/1l2y_csa.out_GB011 b/examples/unres/CSA/GAB/CSA/1l2y_csa.out_GB011 deleted file mode 100644 index 7289887..0000000 --- a/examples/unres/CSA/GAB/CSA/1l2y_csa.out_GB011 +++ /dev/null @@ -1,1645 +0,0 @@ -******************************************************************************** -United-residue force field calculation - parallel job. -******************************************************************************** - MPI: node= 11 iseed= -36716915 - ran_num 0.285028821713971 -RMSDBC = 3.0 -RMSDBC1 = 0.5 -RMSDBC1MAX = 1.5 -DRMS = 0.1 -RMSDBCM = 3.0 -Time limit (min): 960.0 - RESCALE_MODE 0 -Library routine used to diagonalize matrices. - -******************************************************************************** - Options in energy minimization: -******************************************************************************** -MaxMin: 3000 MaxFun: 1000MinMin: 3000 MinFun: 3000 TolF: 1.00000E-02 RTolF: 1.00000E-04 - NCONF_IN 0 - -Energy-term weights (unscaled): - -WSCC= 1.352790 (SC-SC) -WSCP= 1.593040 (SC-p) -WELEC= 0.715340 (p-p electr) -WVDWPP= 0.113710 (p-p VDW) -WBOND= 1.000000 (stretching) -WANG= 1.138730 (bending) -WSCLOC= 0.162580 (SC local) -WTOR= 1.985990 (torsional) -WTORD= 1.570690 (double torsional) -WSTRAIN= 1.000000 (SS bridges & dist. cnstr.) -WEL_LOC= 0.160360 (multi-body 3-rd order) -WCORR4= 0.428870 (multi-body 4th order) -WCORR5= 0.000000 (multi-body 5th order) -WCORR6= 0.000000 (multi-body 6th order) -WSCCOR= 0.000000 (back-scloc correlation) -WTURN3= 1.687220 (turns, 3rd order) -WTURN4= 0.662300 (turns, 4th order) -WTURN6= 0.000000 (turns, 6th order) -WDFA_D= 0.000000 (DFA, distance) -WDFA_T= 0.000000 (DFA, torsional) -WDFA_N= 0.000000 (DFA, number of neighbor) -WDFA_B= 0.000000 (DFA, beta formation) - -Hydrogen-bonding correlation between contact pairs of peptide groups - -Scaling factor of 1,4 SC-p interactions: 0.400 -General scaling factor of SC-p interactions: 1.000 - -Energy-term weights (scaled): - -WSCC= 1.352790 (SC-SC) -WSCP= 1.593040 (SC-p) -WELEC= 0.715340 (p-p electr) -WVDWPP= 0.113710 (p-p VDW) -WBOND= 1.000000 (stretching) -WANG= 1.138730 (bending) -WSCLOC= 0.162580 (SC local) -WTOR= 1.985990 (torsional) -WTORD= 1.570690 (double torsional) -WSTRAIN= 1.000000 (SS bridges & dist. cnstr.) -WEL_LOC= 0.160360 (multi-body 3-rd order) -WCORR4= 0.428870 (multi-body 4th order) -WCORR5= 0.000000 (multi-body 5th order) -WCORR6= 0.000000 (multi-body 6th order) -WSCCOR= 0.000000 (back-scloc correlatkion) -WTURN3= 1.687220 (turns, 3rd order) -WTURN4= 0.662300 (turns, 4th order) -WTURN6= 0.000000 (turns, 6th order) -WDFA_D= 0.000000 (DFA, distance) -WDFA_T= 0.000000 (DFA, torsional) -WDFA_N= 0.000000 (DFA, number of neighbor) -WDFA_B= 0.000000 (DFA, beta formation) - Reference temperature for weights calculation: 300.000000000000 - Parameters of the SS-bond potential: - D0CM 3.78000000000000 AKCM 15.1000000000000 AKTH - 11.0000000000000 AKCT 12.0000000000000 - V1SS -1.08000000000000 V2SS 7.61000000000000 V3SS - 13.7000000000000 - EBR -5.50000000000000 - ITEL - 1 21 0 - 2 14 1 - 3 5 1 - 4 8 1 - 5 4 1 - 6 13 1 - 7 7 1 - 8 5 1 - 9 19 1 - 10 16 1 - 11 10 1 - 12 10 2 - 13 20 1 - 14 12 1 - 15 12 1 - 16 10 1 - 17 18 2 - 18 20 2 - 19 20 2 - 20 20 1 - 21 12 0 - ns= 0 iss: - NZ_START= 2 NZ_END= 21 - IZ_SC= 0 - -Geometry of the virtual chain. - Res d Theta Gamma Dsc Alpha Beta -D 1 0.000 0.000 0.000 0.000 0.000 0.000 -ASN 2 3.800 0.000 0.000 1.684 0.000 0.000 -LEU 3 3.800 0.000 0.000 1.939 0.000 0.000 -TYR 4 3.800 0.000 0.000 2.484 0.000 0.000 -ILE 5 3.800 0.000 0.000 1.776 0.000 0.000 -GLN 6 3.800 0.000 0.000 2.240 0.000 0.000 -TRP 7 3.800 0.000 0.000 2.605 0.000 0.000 -LEU 8 3.800 0.000 0.000 1.939 0.000 0.000 -LYS 9 3.800 0.000 0.000 2.541 0.000 0.000 -ASP 10 3.800 0.000 0.000 1.709 0.000 0.000 -GLY 11 3.800 0.000 0.000 0.000 0.000 0.000 -GLY 12 3.800 0.000 0.000 0.000 0.000 0.000 -PRO 13 3.800 0.000 0.000 1.345 0.000 0.000 -SER 14 3.800 0.000 0.000 1.150 0.000 0.000 -SER 15 3.800 0.000 0.000 1.150 0.000 0.000 -GLY 16 3.800 0.000 0.000 0.000 0.000 0.000 -ARG 17 3.800 0.000 0.000 3.020 0.000 0.000 -PRO 18 3.800 0.000 0.000 1.345 0.000 0.000 -PRO 19 3.800 0.000 0.000 1.345 0.000 0.000 -PRO 20 3.800 0.000 0.000 1.345 0.000 0.000 -SER 21 3.800 0.000 0.000 1.150 0.000 0.000 -D 22 3.800 0.000 0.000 0.000 0.000 0.000 - - -******************************************************************************** - Processor 11: end reading molecular data. -******************************************************************************** - - -CSA calculations calculation. - -Conformations will be energy-minimized. -******************************************************************************** - -Waiting for 0.1523 sec -Waiting for 0.2109 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec - Finishing minim_jlee - signal 0 from master -Waiting for 0.5977 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.5977 sec -Waiting for 0.0078 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.5156 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.8828 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.1719 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 1.0156 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.2852 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.5312 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0391 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.3125 sec -Waiting for 0.0195 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.4141 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.5039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 1.4375 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.3047 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.5000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.4375 sec -Waiting for 0.1523 sec -Waiting for 0.0039 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.3398 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0078 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.7812 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.2969 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.3906 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.3008 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 1.0312 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.2031 sec -Waiting for 0.0000 sec -Waiting for 0.0508 sec -Waiting for 0.0156 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0312 sec -Waiting for 0.5195 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.2773 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0078 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.3086 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.3281 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.3203 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0078 sec -Waiting for 0.0430 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.2539 sec -Waiting for 0.0078 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.3633 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.3945 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.3555 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.2305 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.4023 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.4453 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.3164 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.3359 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.3633 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.2773 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.3555 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.2148 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.3516 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.3086 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.3320 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.3867 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.2812 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0742 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.3359 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.5938 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.4961 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.5859 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.3320 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.3633 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.3633 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.2930 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0078 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.3047 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.3672 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.2227 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.3438 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.3555 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.3516 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.3320 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.3477 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.2461 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.3945 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.7188 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.3828 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.8203 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.3281 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.4336 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.3359 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.3359 sec -Waiting for 0.0000 sec -Waiting for 0.5898 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.3906 sec -Waiting for 0.0586 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.4492 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.7930 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.3281 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.4219 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec 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0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0391 sec -Waiting for 0.3789 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.4375 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.3359 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec 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0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.3555 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0273 sec -Waiting for 0.4023 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.2852 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.3438 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.4062 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.3555 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.3086 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.4531 sec - Finishing minim_jlee - signal 0 from master - End of minim, proc 11 time 194.406250000000 -CG processor 11 is finishing work. - Total wall clock time 198.640625000000 sec diff --git a/examples/unres/CSA/GAB/CSA/1l2y_csa.out_GB012 b/examples/unres/CSA/GAB/CSA/1l2y_csa.out_GB012 deleted file mode 100644 index 49ef6ac..0000000 --- a/examples/unres/CSA/GAB/CSA/1l2y_csa.out_GB012 +++ /dev/null @@ -1,1613 +0,0 @@ -******************************************************************************** -United-residue force field calculation - parallel job. -******************************************************************************** - MPI: node= 12 iseed= -39776658 - ran_num 0.558781067566751 -RMSDBC = 3.0 -RMSDBC1 = 0.5 -RMSDBC1MAX = 1.5 -DRMS = 0.1 -RMSDBCM = 3.0 -Time limit (min): 960.0 - RESCALE_MODE 0 -Library routine used to diagonalize matrices. - -******************************************************************************** - Options in energy minimization: -******************************************************************************** -MaxMin: 3000 MaxFun: 1000MinMin: 3000 MinFun: 3000 TolF: 1.00000E-02 RTolF: 1.00000E-04 - NCONF_IN 0 - -Energy-term weights (unscaled): - -WSCC= 1.352790 (SC-SC) -WSCP= 1.593040 (SC-p) -WELEC= 0.715340 (p-p electr) -WVDWPP= 0.113710 (p-p VDW) -WBOND= 1.000000 (stretching) -WANG= 1.138730 (bending) -WSCLOC= 0.162580 (SC local) -WTOR= 1.985990 (torsional) -WTORD= 1.570690 (double torsional) -WSTRAIN= 1.000000 (SS bridges & dist. cnstr.) -WEL_LOC= 0.160360 (multi-body 3-rd order) -WCORR4= 0.428870 (multi-body 4th order) -WCORR5= 0.000000 (multi-body 5th order) -WCORR6= 0.000000 (multi-body 6th order) -WSCCOR= 0.000000 (back-scloc correlation) -WTURN3= 1.687220 (turns, 3rd order) -WTURN4= 0.662300 (turns, 4th order) -WTURN6= 0.000000 (turns, 6th order) -WDFA_D= 0.000000 (DFA, distance) -WDFA_T= 0.000000 (DFA, torsional) -WDFA_N= 0.000000 (DFA, number of neighbor) -WDFA_B= 0.000000 (DFA, beta formation) - -Hydrogen-bonding correlation between contact pairs of peptide groups - -Scaling factor of 1,4 SC-p interactions: 0.400 -General scaling factor of SC-p interactions: 1.000 - -Energy-term weights (scaled): - -WSCC= 1.352790 (SC-SC) -WSCP= 1.593040 (SC-p) -WELEC= 0.715340 (p-p electr) -WVDWPP= 0.113710 (p-p VDW) -WBOND= 1.000000 (stretching) -WANG= 1.138730 (bending) -WSCLOC= 0.162580 (SC local) -WTOR= 1.985990 (torsional) -WTORD= 1.570690 (double torsional) -WSTRAIN= 1.000000 (SS bridges & dist. cnstr.) -WEL_LOC= 0.160360 (multi-body 3-rd order) -WCORR4= 0.428870 (multi-body 4th order) -WCORR5= 0.000000 (multi-body 5th order) -WCORR6= 0.000000 (multi-body 6th order) -WSCCOR= 0.000000 (back-scloc correlatkion) -WTURN3= 1.687220 (turns, 3rd order) -WTURN4= 0.662300 (turns, 4th order) -WTURN6= 0.000000 (turns, 6th order) -WDFA_D= 0.000000 (DFA, distance) -WDFA_T= 0.000000 (DFA, torsional) -WDFA_N= 0.000000 (DFA, number of neighbor) -WDFA_B= 0.000000 (DFA, beta formation) - Reference temperature for weights calculation: 300.000000000000 - Parameters of the SS-bond potential: - D0CM 3.78000000000000 AKCM 15.1000000000000 AKTH - 11.0000000000000 AKCT 12.0000000000000 - V1SS -1.08000000000000 V2SS 7.61000000000000 V3SS - 13.7000000000000 - EBR -5.50000000000000 - ITEL - 1 21 0 - 2 14 1 - 3 5 1 - 4 8 1 - 5 4 1 - 6 13 1 - 7 7 1 - 8 5 1 - 9 19 1 - 10 16 1 - 11 10 1 - 12 10 2 - 13 20 1 - 14 12 1 - 15 12 1 - 16 10 1 - 17 18 2 - 18 20 2 - 19 20 2 - 20 20 1 - 21 12 0 - ns= 0 iss: - NZ_START= 2 NZ_END= 21 - IZ_SC= 0 - -Geometry of the virtual chain. - Res d Theta Gamma Dsc Alpha Beta -D 1 0.000 0.000 0.000 0.000 0.000 0.000 -ASN 2 3.800 0.000 0.000 1.684 0.000 0.000 -LEU 3 3.800 0.000 0.000 1.939 0.000 0.000 -TYR 4 3.800 0.000 0.000 2.484 0.000 0.000 -ILE 5 3.800 0.000 0.000 1.776 0.000 0.000 -GLN 6 3.800 0.000 0.000 2.240 0.000 0.000 -TRP 7 3.800 0.000 0.000 2.605 0.000 0.000 -LEU 8 3.800 0.000 0.000 1.939 0.000 0.000 -LYS 9 3.800 0.000 0.000 2.541 0.000 0.000 -ASP 10 3.800 0.000 0.000 1.709 0.000 0.000 -GLY 11 3.800 0.000 0.000 0.000 0.000 0.000 -GLY 12 3.800 0.000 0.000 0.000 0.000 0.000 -PRO 13 3.800 0.000 0.000 1.345 0.000 0.000 -SER 14 3.800 0.000 0.000 1.150 0.000 0.000 -SER 15 3.800 0.000 0.000 1.150 0.000 0.000 -GLY 16 3.800 0.000 0.000 0.000 0.000 0.000 -ARG 17 3.800 0.000 0.000 3.020 0.000 0.000 -PRO 18 3.800 0.000 0.000 1.345 0.000 0.000 -PRO 19 3.800 0.000 0.000 1.345 0.000 0.000 -PRO 20 3.800 0.000 0.000 1.345 0.000 0.000 -SER 21 3.800 0.000 0.000 1.150 0.000 0.000 -D 22 3.800 0.000 0.000 0.000 0.000 0.000 - - -******************************************************************************** - Processor 12: end reading molecular data. -******************************************************************************** - - -CSA calculations calculation. - -Conformations will be energy-minimized. -******************************************************************************** - -Waiting for 0.1406 sec -Waiting for 0.1992 sec -Waiting for 0.0625 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec - Finishing minim_jlee - signal 0 from master -Waiting for 0.5977 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.5703 sec -Waiting for 0.0000 sec -Waiting for 0.0742 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.4102 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.8359 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0820 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.9023 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.2969 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.5195 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0742 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.3203 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0078 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.4141 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.5000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0078 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 1.3984 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.2500 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.3906 sec -Waiting for 0.0391 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.5039 sec -Waiting for 0.0000 sec -Waiting for 0.0391 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.2617 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0078 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.7031 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.3555 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.4258 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.3008 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 1.0273 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.1602 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0117 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.5898 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.3047 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.3047 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.3125 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.2852 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.3125 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.2617 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.4961 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.3047 sec -Waiting for 0.0117 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.3516 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.3555 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.5430 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.3477 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.3359 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.3438 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.2734 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.3164 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.2070 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.3242 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.3008 sec -Waiting for 0.0078 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.2930 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.3555 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.2695 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.3047 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.5977 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.5000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.5664 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.3242 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.3477 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.3633 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.3906 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.2305 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.3633 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.1875 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.3516 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.3438 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.3438 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.3320 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.1953 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0078 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.3594 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.3906 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.7422 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.3789 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.8672 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.3359 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.4180 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0039 sec -Waiting for 0.3672 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.3125 sec -Waiting for 0.0000 sec -Waiting for 0.6172 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.4062 sec -Waiting for 0.0000 sec -Waiting for 0.0195 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.4609 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.8359 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.3164 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.4219 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0039 sec -Waiting for 0.3477 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0469 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.3281 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0547 sec -Waiting for 0.3828 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.3750 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.2969 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.5820 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.2422 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.3320 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 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0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.4570 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0078 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0273 sec -Waiting for 0.3594 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.4102 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec 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0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.3750 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.3008 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.2070 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.4102 sec - Finishing minim_jlee - signal 0 from master - End of minim, proc 12 time 194.402343750000 -CG processor 12 is finishing work. - Total wall clock time 198.636718750000 sec diff --git a/examples/unres/CSA/GAB/CSA/1l2y_csa.out_GB013 b/examples/unres/CSA/GAB/CSA/1l2y_csa.out_GB013 deleted file mode 100644 index 35f44b8..0000000 --- a/examples/unres/CSA/GAB/CSA/1l2y_csa.out_GB013 +++ /dev/null @@ -1,1653 +0,0 @@ -******************************************************************************** -United-residue force field calculation - parallel job. -******************************************************************************** - MPI: node= 13 iseed= -42836401 - ran_num 0.832533313419530 -RMSDBC = 3.0 -RMSDBC1 = 0.5 -RMSDBC1MAX = 1.5 -DRMS = 0.1 -RMSDBCM = 3.0 -Time limit (min): 960.0 - RESCALE_MODE 0 -Library routine used to diagonalize matrices. - -******************************************************************************** - Options in energy minimization: -******************************************************************************** -MaxMin: 3000 MaxFun: 1000MinMin: 3000 MinFun: 3000 TolF: 1.00000E-02 RTolF: 1.00000E-04 - NCONF_IN 0 - -Energy-term weights (unscaled): - -WSCC= 1.352790 (SC-SC) -WSCP= 1.593040 (SC-p) -WELEC= 0.715340 (p-p electr) -WVDWPP= 0.113710 (p-p VDW) -WBOND= 1.000000 (stretching) -WANG= 1.138730 (bending) -WSCLOC= 0.162580 (SC local) -WTOR= 1.985990 (torsional) -WTORD= 1.570690 (double torsional) -WSTRAIN= 1.000000 (SS bridges & dist. cnstr.) -WEL_LOC= 0.160360 (multi-body 3-rd order) -WCORR4= 0.428870 (multi-body 4th order) -WCORR5= 0.000000 (multi-body 5th order) -WCORR6= 0.000000 (multi-body 6th order) -WSCCOR= 0.000000 (back-scloc correlation) -WTURN3= 1.687220 (turns, 3rd order) -WTURN4= 0.662300 (turns, 4th order) -WTURN6= 0.000000 (turns, 6th order) -WDFA_D= 0.000000 (DFA, distance) -WDFA_T= 0.000000 (DFA, torsional) -WDFA_N= 0.000000 (DFA, number of neighbor) -WDFA_B= 0.000000 (DFA, beta formation) - -Hydrogen-bonding correlation between contact pairs of peptide groups - -Scaling factor of 1,4 SC-p interactions: 0.400 -General scaling factor of SC-p interactions: 1.000 - -Energy-term weights (scaled): - -WSCC= 1.352790 (SC-SC) -WSCP= 1.593040 (SC-p) -WELEC= 0.715340 (p-p electr) -WVDWPP= 0.113710 (p-p VDW) -WBOND= 1.000000 (stretching) -WANG= 1.138730 (bending) -WSCLOC= 0.162580 (SC local) -WTOR= 1.985990 (torsional) -WTORD= 1.570690 (double torsional) -WSTRAIN= 1.000000 (SS bridges & dist. cnstr.) -WEL_LOC= 0.160360 (multi-body 3-rd order) -WCORR4= 0.428870 (multi-body 4th order) -WCORR5= 0.000000 (multi-body 5th order) -WCORR6= 0.000000 (multi-body 6th order) -WSCCOR= 0.000000 (back-scloc correlatkion) -WTURN3= 1.687220 (turns, 3rd order) -WTURN4= 0.662300 (turns, 4th order) -WTURN6= 0.000000 (turns, 6th order) -WDFA_D= 0.000000 (DFA, distance) -WDFA_T= 0.000000 (DFA, torsional) -WDFA_N= 0.000000 (DFA, number of neighbor) -WDFA_B= 0.000000 (DFA, beta formation) - Reference temperature for weights calculation: 300.000000000000 - Parameters of the SS-bond potential: - D0CM 3.78000000000000 AKCM 15.1000000000000 AKTH - 11.0000000000000 AKCT 12.0000000000000 - V1SS -1.08000000000000 V2SS 7.61000000000000 V3SS - 13.7000000000000 - EBR -5.50000000000000 - ITEL - 1 21 0 - 2 14 1 - 3 5 1 - 4 8 1 - 5 4 1 - 6 13 1 - 7 7 1 - 8 5 1 - 9 19 1 - 10 16 1 - 11 10 1 - 12 10 2 - 13 20 1 - 14 12 1 - 15 12 1 - 16 10 1 - 17 18 2 - 18 20 2 - 19 20 2 - 20 20 1 - 21 12 0 - ns= 0 iss: - NZ_START= 2 NZ_END= 21 - IZ_SC= 0 - -Geometry of the virtual chain. - Res d Theta Gamma Dsc Alpha Beta -D 1 0.000 0.000 0.000 0.000 0.000 0.000 -ASN 2 3.800 0.000 0.000 1.684 0.000 0.000 -LEU 3 3.800 0.000 0.000 1.939 0.000 0.000 -TYR 4 3.800 0.000 0.000 2.484 0.000 0.000 -ILE 5 3.800 0.000 0.000 1.776 0.000 0.000 -GLN 6 3.800 0.000 0.000 2.240 0.000 0.000 -TRP 7 3.800 0.000 0.000 2.605 0.000 0.000 -LEU 8 3.800 0.000 0.000 1.939 0.000 0.000 -LYS 9 3.800 0.000 0.000 2.541 0.000 0.000 -ASP 10 3.800 0.000 0.000 1.709 0.000 0.000 -GLY 11 3.800 0.000 0.000 0.000 0.000 0.000 -GLY 12 3.800 0.000 0.000 0.000 0.000 0.000 -PRO 13 3.800 0.000 0.000 1.345 0.000 0.000 -SER 14 3.800 0.000 0.000 1.150 0.000 0.000 -SER 15 3.800 0.000 0.000 1.150 0.000 0.000 -GLY 16 3.800 0.000 0.000 0.000 0.000 0.000 -ARG 17 3.800 0.000 0.000 3.020 0.000 0.000 -PRO 18 3.800 0.000 0.000 1.345 0.000 0.000 -PRO 19 3.800 0.000 0.000 1.345 0.000 0.000 -PRO 20 3.800 0.000 0.000 1.345 0.000 0.000 -SER 21 3.800 0.000 0.000 1.150 0.000 0.000 -D 22 3.800 0.000 0.000 0.000 0.000 0.000 - - -******************************************************************************** - Processor 13: end reading molecular data. -******************************************************************************** - - -CSA calculations calculation. - -Conformations will be energy-minimized. -******************************************************************************** - -Waiting for 0.1445 sec -Waiting for 0.2734 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0117 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec - Finishing minim_jlee - signal 0 from master -Waiting for 0.6016 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.5508 sec -Waiting for 0.0195 sec -Waiting for 0.0195 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0156 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.4805 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0430 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.8711 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.1328 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 1.0273 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.3281 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.5117 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.3086 sec -Waiting for 0.0195 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0508 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.4258 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.4609 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 1.3750 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.2891 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.4961 sec -Waiting for 0.0000 sec -Waiting for 0.0234 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0078 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec 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0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.3555 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.4453 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.3125 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 1.0352 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.2734 sec -Waiting for 0.0664 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.6172 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.3164 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0312 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.3359 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.3320 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.3516 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0234 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.2969 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.3359 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.5039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.3398 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.3594 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.3789 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.5156 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.3125 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.3359 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.3086 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.3008 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.2695 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.2422 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.3555 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.3281 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.3516 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.3320 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.2773 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.3242 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.5195 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0078 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.4883 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.5508 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.3398 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.3789 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.3555 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.4062 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.2852 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.3672 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0078 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.3164 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.2812 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.3633 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.3633 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.3594 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.3477 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.2773 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.4023 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.7617 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.3281 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.9336 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.3438 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.4258 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.3359 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.3164 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.5938 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.4258 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.4570 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.8438 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.3164 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.5117 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.3555 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0430 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.3047 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0156 sec -Waiting for 0.4062 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.3789 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.3125 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.5312 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0078 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.3047 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.3242 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.3320 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.3125 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.3125 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.3125 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.2969 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec 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-Waiting for 0.0000 sec -Waiting for 0.3438 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0547 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.2891 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.2539 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.3516 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0078 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0273 sec -Waiting for 0.4453 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.3398 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.3242 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.3477 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.3516 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.3086 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.4258 sec - Finishing minim_jlee - signal 0 from master - End of minim, proc 13 time 194.402343750000 -CG processor 13 is finishing work. - Total wall clock time 198.636718750000 sec diff --git a/examples/unres/CSA/GAB/CSA/1l2y_csa.out_GB014 b/examples/unres/CSA/GAB/CSA/1l2y_csa.out_GB014 deleted file mode 100644 index 865ae6a..0000000 --- a/examples/unres/CSA/GAB/CSA/1l2y_csa.out_GB014 +++ /dev/null @@ -1,1661 +0,0 @@ -******************************************************************************** -United-residue force field calculation - parallel job. -******************************************************************************** - MPI: node= 14 iseed= -45896144 - ran_num 0.106285559272310 -RMSDBC = 3.0 -RMSDBC1 = 0.5 -RMSDBC1MAX = 1.5 -DRMS = 0.1 -RMSDBCM = 3.0 -Time limit (min): 960.0 - RESCALE_MODE 0 -Library routine used to diagonalize matrices. - -******************************************************************************** - Options in energy minimization: -******************************************************************************** -MaxMin: 3000 MaxFun: 1000MinMin: 3000 MinFun: 3000 TolF: 1.00000E-02 RTolF: 1.00000E-04 - NCONF_IN 0 - -Energy-term weights (unscaled): - -WSCC= 1.352790 (SC-SC) -WSCP= 1.593040 (SC-p) -WELEC= 0.715340 (p-p electr) -WVDWPP= 0.113710 (p-p VDW) -WBOND= 1.000000 (stretching) -WANG= 1.138730 (bending) -WSCLOC= 0.162580 (SC local) -WTOR= 1.985990 (torsional) -WTORD= 1.570690 (double torsional) -WSTRAIN= 1.000000 (SS bridges & dist. cnstr.) -WEL_LOC= 0.160360 (multi-body 3-rd order) -WCORR4= 0.428870 (multi-body 4th order) -WCORR5= 0.000000 (multi-body 5th order) -WCORR6= 0.000000 (multi-body 6th order) -WSCCOR= 0.000000 (back-scloc correlation) -WTURN3= 1.687220 (turns, 3rd order) -WTURN4= 0.662300 (turns, 4th order) -WTURN6= 0.000000 (turns, 6th order) -WDFA_D= 0.000000 (DFA, distance) -WDFA_T= 0.000000 (DFA, torsional) -WDFA_N= 0.000000 (DFA, number of neighbor) -WDFA_B= 0.000000 (DFA, beta formation) - -Hydrogen-bonding correlation between contact pairs of peptide groups - -Scaling factor of 1,4 SC-p interactions: 0.400 -General scaling factor of SC-p interactions: 1.000 - -Energy-term weights (scaled): - -WSCC= 1.352790 (SC-SC) -WSCP= 1.593040 (SC-p) -WELEC= 0.715340 (p-p electr) -WVDWPP= 0.113710 (p-p VDW) -WBOND= 1.000000 (stretching) -WANG= 1.138730 (bending) -WSCLOC= 0.162580 (SC local) -WTOR= 1.985990 (torsional) -WTORD= 1.570690 (double torsional) -WSTRAIN= 1.000000 (SS bridges & dist. cnstr.) -WEL_LOC= 0.160360 (multi-body 3-rd order) -WCORR4= 0.428870 (multi-body 4th order) -WCORR5= 0.000000 (multi-body 5th order) -WCORR6= 0.000000 (multi-body 6th order) -WSCCOR= 0.000000 (back-scloc correlatkion) -WTURN3= 1.687220 (turns, 3rd order) -WTURN4= 0.662300 (turns, 4th order) -WTURN6= 0.000000 (turns, 6th order) -WDFA_D= 0.000000 (DFA, distance) -WDFA_T= 0.000000 (DFA, torsional) -WDFA_N= 0.000000 (DFA, number of neighbor) -WDFA_B= 0.000000 (DFA, beta formation) - Reference temperature for weights calculation: 300.000000000000 - Parameters of the SS-bond potential: - D0CM 3.78000000000000 AKCM 15.1000000000000 AKTH - 11.0000000000000 AKCT 12.0000000000000 - V1SS -1.08000000000000 V2SS 7.61000000000000 V3SS - 13.7000000000000 - EBR -5.50000000000000 - ITEL - 1 21 0 - 2 14 1 - 3 5 1 - 4 8 1 - 5 4 1 - 6 13 1 - 7 7 1 - 8 5 1 - 9 19 1 - 10 16 1 - 11 10 1 - 12 10 2 - 13 20 1 - 14 12 1 - 15 12 1 - 16 10 1 - 17 18 2 - 18 20 2 - 19 20 2 - 20 20 1 - 21 12 0 - ns= 0 iss: - NZ_START= 2 NZ_END= 21 - IZ_SC= 0 - -Geometry of the virtual chain. - Res d Theta Gamma Dsc Alpha Beta -D 1 0.000 0.000 0.000 0.000 0.000 0.000 -ASN 2 3.800 0.000 0.000 1.684 0.000 0.000 -LEU 3 3.800 0.000 0.000 1.939 0.000 0.000 -TYR 4 3.800 0.000 0.000 2.484 0.000 0.000 -ILE 5 3.800 0.000 0.000 1.776 0.000 0.000 -GLN 6 3.800 0.000 0.000 2.240 0.000 0.000 -TRP 7 3.800 0.000 0.000 2.605 0.000 0.000 -LEU 8 3.800 0.000 0.000 1.939 0.000 0.000 -LYS 9 3.800 0.000 0.000 2.541 0.000 0.000 -ASP 10 3.800 0.000 0.000 1.709 0.000 0.000 -GLY 11 3.800 0.000 0.000 0.000 0.000 0.000 -GLY 12 3.800 0.000 0.000 0.000 0.000 0.000 -PRO 13 3.800 0.000 0.000 1.345 0.000 0.000 -SER 14 3.800 0.000 0.000 1.150 0.000 0.000 -SER 15 3.800 0.000 0.000 1.150 0.000 0.000 -GLY 16 3.800 0.000 0.000 0.000 0.000 0.000 -ARG 17 3.800 0.000 0.000 3.020 0.000 0.000 -PRO 18 3.800 0.000 0.000 1.345 0.000 0.000 -PRO 19 3.800 0.000 0.000 1.345 0.000 0.000 -PRO 20 3.800 0.000 0.000 1.345 0.000 0.000 -SER 21 3.800 0.000 0.000 1.150 0.000 0.000 -D 22 3.800 0.000 0.000 0.000 0.000 0.000 - - -******************************************************************************** - Processor 14: end reading molecular data. -******************************************************************************** - - -CSA calculations calculation. - -Conformations will be energy-minimized. -******************************************************************************** - -Waiting for 0.1602 sec -Waiting for 0.1328 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0156 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec - Finishing minim_jlee - signal 0 from master -Waiting for 0.6094 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.5938 sec -Waiting for 0.0000 sec -Waiting for 0.0195 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.4688 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0234 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.8672 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0977 sec -Waiting for 0.0000 sec 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0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0078 sec -Waiting for 0.3242 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0117 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.4102 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.4570 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec 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0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.4844 sec -Waiting for 0.1328 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.2656 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.7148 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec 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0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.3438 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.2969 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.3086 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0078 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.5000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.2773 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.3047 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.3789 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.5273 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.3281 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.3242 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.3281 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.3594 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.3477 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.2578 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.3047 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.3164 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.3555 sec -Waiting for 0.0078 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.3789 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.2891 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0078 sec -Waiting for 0.0000 sec -Waiting for 0.0117 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.3125 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.5703 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.5039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.5352 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.3281 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.3594 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.3672 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.2930 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.2539 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.3359 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.2812 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.3438 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.3359 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.3320 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.3438 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.3516 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.3633 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.4023 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.7344 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0078 sec -Waiting for 0.0000 sec -Waiting for 0.3008 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.9102 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.1992 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.4258 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.3281 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.3242 sec -Waiting for 0.0000 sec -Waiting for 0.5469 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.3672 sec -Waiting for 0.0703 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.4570 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.8438 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.2969 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.5117 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.3750 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.3438 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.4414 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.3789 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.3477 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.5664 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.2891 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.3320 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.3672 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.3242 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.3164 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.3203 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.3242 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.3203 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.4023 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0117 sec -Waiting for 0.3828 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.4219 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.2148 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.2578 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0156 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.3203 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.3164 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.2734 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.4062 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.3438 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.3320 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.4023 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.3594 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.2734 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.4453 sec - Finishing minim_jlee - signal 0 from master - End of minim, proc 14 time 194.402343750000 -CG processor 14 is finishing work. - Total wall clock time 198.632812500000 sec diff --git a/examples/unres/CSA/GAB/CSA/1l2y_csa.out_GB015 b/examples/unres/CSA/GAB/CSA/1l2y_csa.out_GB015 deleted file mode 100644 index 4cda331..0000000 --- a/examples/unres/CSA/GAB/CSA/1l2y_csa.out_GB015 +++ /dev/null @@ -1,1626 +0,0 @@ -******************************************************************************** -United-residue force field calculation - parallel job. -******************************************************************************** - MPI: node= 15 iseed= -48955887 - ran_num 0.380037805125089 -RMSDBC = 3.0 -RMSDBC1 = 0.5 -RMSDBC1MAX = 1.5 -DRMS = 0.1 -RMSDBCM = 3.0 -Time limit (min): 960.0 - RESCALE_MODE 0 -Library routine used to diagonalize matrices. - -******************************************************************************** - Options in energy minimization: -******************************************************************************** -MaxMin: 3000 MaxFun: 1000MinMin: 3000 MinFun: 3000 TolF: 1.00000E-02 RTolF: 1.00000E-04 - NCONF_IN 0 - -Energy-term weights (unscaled): - -WSCC= 1.352790 (SC-SC) -WSCP= 1.593040 (SC-p) -WELEC= 0.715340 (p-p electr) -WVDWPP= 0.113710 (p-p VDW) -WBOND= 1.000000 (stretching) -WANG= 1.138730 (bending) -WSCLOC= 0.162580 (SC local) -WTOR= 1.985990 (torsional) -WTORD= 1.570690 (double torsional) -WSTRAIN= 1.000000 (SS bridges & dist. cnstr.) -WEL_LOC= 0.160360 (multi-body 3-rd order) -WCORR4= 0.428870 (multi-body 4th order) -WCORR5= 0.000000 (multi-body 5th order) -WCORR6= 0.000000 (multi-body 6th order) -WSCCOR= 0.000000 (back-scloc correlation) -WTURN3= 1.687220 (turns, 3rd order) -WTURN4= 0.662300 (turns, 4th order) -WTURN6= 0.000000 (turns, 6th order) -WDFA_D= 0.000000 (DFA, distance) -WDFA_T= 0.000000 (DFA, torsional) -WDFA_N= 0.000000 (DFA, number of neighbor) -WDFA_B= 0.000000 (DFA, beta formation) - -Hydrogen-bonding correlation between contact pairs of peptide groups - -Scaling factor of 1,4 SC-p interactions: 0.400 -General scaling factor of SC-p interactions: 1.000 - -Energy-term weights (scaled): - -WSCC= 1.352790 (SC-SC) -WSCP= 1.593040 (SC-p) -WELEC= 0.715340 (p-p electr) -WVDWPP= 0.113710 (p-p VDW) -WBOND= 1.000000 (stretching) -WANG= 1.138730 (bending) -WSCLOC= 0.162580 (SC local) -WTOR= 1.985990 (torsional) -WTORD= 1.570690 (double torsional) -WSTRAIN= 1.000000 (SS bridges & dist. cnstr.) -WEL_LOC= 0.160360 (multi-body 3-rd order) -WCORR4= 0.428870 (multi-body 4th order) -WCORR5= 0.000000 (multi-body 5th order) -WCORR6= 0.000000 (multi-body 6th order) -WSCCOR= 0.000000 (back-scloc correlatkion) -WTURN3= 1.687220 (turns, 3rd order) -WTURN4= 0.662300 (turns, 4th order) -WTURN6= 0.000000 (turns, 6th order) -WDFA_D= 0.000000 (DFA, distance) -WDFA_T= 0.000000 (DFA, torsional) -WDFA_N= 0.000000 (DFA, number of neighbor) -WDFA_B= 0.000000 (DFA, beta formation) - Reference temperature for weights calculation: 300.000000000000 - Parameters of the SS-bond potential: - D0CM 3.78000000000000 AKCM 15.1000000000000 AKTH - 11.0000000000000 AKCT 12.0000000000000 - V1SS -1.08000000000000 V2SS 7.61000000000000 V3SS - 13.7000000000000 - EBR -5.50000000000000 - ITEL - 1 21 0 - 2 14 1 - 3 5 1 - 4 8 1 - 5 4 1 - 6 13 1 - 7 7 1 - 8 5 1 - 9 19 1 - 10 16 1 - 11 10 1 - 12 10 2 - 13 20 1 - 14 12 1 - 15 12 1 - 16 10 1 - 17 18 2 - 18 20 2 - 19 20 2 - 20 20 1 - 21 12 0 - ns= 0 iss: - NZ_START= 2 NZ_END= 21 - IZ_SC= 0 - -Geometry of the virtual chain. - Res d Theta Gamma Dsc Alpha Beta -D 1 0.000 0.000 0.000 0.000 0.000 0.000 -ASN 2 3.800 0.000 0.000 1.684 0.000 0.000 -LEU 3 3.800 0.000 0.000 1.939 0.000 0.000 -TYR 4 3.800 0.000 0.000 2.484 0.000 0.000 -ILE 5 3.800 0.000 0.000 1.776 0.000 0.000 -GLN 6 3.800 0.000 0.000 2.240 0.000 0.000 -TRP 7 3.800 0.000 0.000 2.605 0.000 0.000 -LEU 8 3.800 0.000 0.000 1.939 0.000 0.000 -LYS 9 3.800 0.000 0.000 2.541 0.000 0.000 -ASP 10 3.800 0.000 0.000 1.709 0.000 0.000 -GLY 11 3.800 0.000 0.000 0.000 0.000 0.000 -GLY 12 3.800 0.000 0.000 0.000 0.000 0.000 -PRO 13 3.800 0.000 0.000 1.345 0.000 0.000 -SER 14 3.800 0.000 0.000 1.150 0.000 0.000 -SER 15 3.800 0.000 0.000 1.150 0.000 0.000 -GLY 16 3.800 0.000 0.000 0.000 0.000 0.000 -ARG 17 3.800 0.000 0.000 3.020 0.000 0.000 -PRO 18 3.800 0.000 0.000 1.345 0.000 0.000 -PRO 19 3.800 0.000 0.000 1.345 0.000 0.000 -PRO 20 3.800 0.000 0.000 1.345 0.000 0.000 -SER 21 3.800 0.000 0.000 1.150 0.000 0.000 -D 22 3.800 0.000 0.000 0.000 0.000 0.000 - - -******************************************************************************** - Processor 15: end reading molecular data. -******************************************************************************** - - -CSA calculations calculation. - -Conformations will be energy-minimized. -******************************************************************************** - -Waiting for 0.1484 sec -Waiting for 0.3086 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec - Finishing minim_jlee - signal 0 from master -Waiting for 0.0000 sec -Waiting for 0.0547 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0547 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.4648 sec -Waiting for 0.0000 sec -Waiting for 0.0430 sec -Waiting for 0.0000 sec -Waiting for 0.0117 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.8867 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.1758 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 1.0352 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0312 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.2695 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0078 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.5312 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.3203 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.4219 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.4609 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0078 sec -Waiting for 0.0000 sec -Waiting for 1.4570 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.2891 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.4883 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.5078 sec -Waiting for 0.0430 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.3164 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.7617 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.3438 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.4258 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.2539 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0352 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 1.0430 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.2969 sec -Waiting for 0.0000 sec -Waiting for 0.0273 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.6172 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.3125 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.2188 sec -Waiting for 0.0078 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.2852 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.3359 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.3047 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.3594 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.5234 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0039 sec -Waiting for 0.0039 sec -Waiting for 0.3320 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.3438 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.4102 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.5000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.2891 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.2930 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.3008 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.3359 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.2695 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.2734 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.3633 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.3242 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.3398 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.3984 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.2656 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0273 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.2695 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.5859 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.4766 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.5508 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.3438 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0078 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.3867 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.3594 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.4023 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.3164 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.3672 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.3008 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.3203 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.3398 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0078 sec -Waiting for 0.0000 sec -Waiting for 0.3711 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.3438 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.3242 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.3398 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.3164 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.7578 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.3867 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.9258 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.3320 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.3945 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.3672 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.3672 sec -Waiting for 0.0000 sec -Waiting for 0.6289 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.4453 sec -Waiting for 0.0703 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.4531 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.8672 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.3125 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.5156 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.3789 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0508 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.3164 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.4492 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.3008 sec -Waiting for 0.0078 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.3398 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.5508 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.3008 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.3203 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.4570 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.2734 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.3242 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.2930 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.2383 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.3398 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.4492 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.3516 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.3672 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.3086 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.3438 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0508 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.3047 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.3281 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.3477 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.4375 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.3086 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.3477 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.3984 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.3008 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.2969 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.4297 sec - Finishing minim_jlee - signal 0 from master - End of minim, proc 15 time 191.468750000000 -CG processor 15 is finishing work. - Total wall clock time 198.632812500000 sec diff --git a/examples/unres/CSA/GAB/CSA/1l2y_csa.out_GB016 b/examples/unres/CSA/GAB/CSA/1l2y_csa.out_GB016 deleted file mode 100644 index 6e96a73..0000000 --- a/examples/unres/CSA/GAB/CSA/1l2y_csa.out_GB016 +++ /dev/null @@ -1,1596 +0,0 @@ -******************************************************************************** -United-residue force field calculation - parallel job. -******************************************************************************** - MPI: node= 16 iseed= -52015630 - ran_num 0.653790050977869 -RMSDBC = 3.0 -RMSDBC1 = 0.5 -RMSDBC1MAX = 1.5 -DRMS = 0.1 -RMSDBCM = 3.0 -Time limit (min): 960.0 - RESCALE_MODE 0 -Library routine used to diagonalize matrices. - -******************************************************************************** - Options in energy minimization: -******************************************************************************** -MaxMin: 3000 MaxFun: 1000MinMin: 3000 MinFun: 3000 TolF: 1.00000E-02 RTolF: 1.00000E-04 - NCONF_IN 0 - -Energy-term weights (unscaled): - -WSCC= 1.352790 (SC-SC) -WSCP= 1.593040 (SC-p) -WELEC= 0.715340 (p-p electr) -WVDWPP= 0.113710 (p-p VDW) -WBOND= 1.000000 (stretching) -WANG= 1.138730 (bending) -WSCLOC= 0.162580 (SC local) -WTOR= 1.985990 (torsional) -WTORD= 1.570690 (double torsional) -WSTRAIN= 1.000000 (SS bridges & dist. cnstr.) -WEL_LOC= 0.160360 (multi-body 3-rd order) -WCORR4= 0.428870 (multi-body 4th order) -WCORR5= 0.000000 (multi-body 5th order) -WCORR6= 0.000000 (multi-body 6th order) -WSCCOR= 0.000000 (back-scloc correlation) -WTURN3= 1.687220 (turns, 3rd order) -WTURN4= 0.662300 (turns, 4th order) -WTURN6= 0.000000 (turns, 6th order) -WDFA_D= 0.000000 (DFA, distance) -WDFA_T= 0.000000 (DFA, torsional) -WDFA_N= 0.000000 (DFA, number of neighbor) -WDFA_B= 0.000000 (DFA, beta formation) - -Hydrogen-bonding correlation between contact pairs of peptide groups - -Scaling factor of 1,4 SC-p interactions: 0.400 -General scaling factor of SC-p interactions: 1.000 - -Energy-term weights (scaled): - -WSCC= 1.352790 (SC-SC) -WSCP= 1.593040 (SC-p) -WELEC= 0.715340 (p-p electr) -WVDWPP= 0.113710 (p-p VDW) -WBOND= 1.000000 (stretching) -WANG= 1.138730 (bending) -WSCLOC= 0.162580 (SC local) -WTOR= 1.985990 (torsional) -WTORD= 1.570690 (double torsional) -WSTRAIN= 1.000000 (SS bridges & dist. cnstr.) -WEL_LOC= 0.160360 (multi-body 3-rd order) -WCORR4= 0.428870 (multi-body 4th order) -WCORR5= 0.000000 (multi-body 5th order) -WCORR6= 0.000000 (multi-body 6th order) -WSCCOR= 0.000000 (back-scloc correlatkion) -WTURN3= 1.687220 (turns, 3rd order) -WTURN4= 0.662300 (turns, 4th order) -WTURN6= 0.000000 (turns, 6th order) -WDFA_D= 0.000000 (DFA, distance) -WDFA_T= 0.000000 (DFA, torsional) -WDFA_N= 0.000000 (DFA, number of neighbor) -WDFA_B= 0.000000 (DFA, beta formation) - Reference temperature for weights calculation: 300.000000000000 - Parameters of the SS-bond potential: - D0CM 3.78000000000000 AKCM 15.1000000000000 AKTH - 11.0000000000000 AKCT 12.0000000000000 - V1SS -1.08000000000000 V2SS 7.61000000000000 V3SS - 13.7000000000000 - EBR -5.50000000000000 - ITEL - 1 21 0 - 2 14 1 - 3 5 1 - 4 8 1 - 5 4 1 - 6 13 1 - 7 7 1 - 8 5 1 - 9 19 1 - 10 16 1 - 11 10 1 - 12 10 2 - 13 20 1 - 14 12 1 - 15 12 1 - 16 10 1 - 17 18 2 - 18 20 2 - 19 20 2 - 20 20 1 - 21 12 0 - ns= 0 iss: - NZ_START= 2 NZ_END= 21 - IZ_SC= 0 - -Geometry of the virtual chain. - Res d Theta Gamma Dsc Alpha Beta -D 1 0.000 0.000 0.000 0.000 0.000 0.000 -ASN 2 3.800 0.000 0.000 1.684 0.000 0.000 -LEU 3 3.800 0.000 0.000 1.939 0.000 0.000 -TYR 4 3.800 0.000 0.000 2.484 0.000 0.000 -ILE 5 3.800 0.000 0.000 1.776 0.000 0.000 -GLN 6 3.800 0.000 0.000 2.240 0.000 0.000 -TRP 7 3.800 0.000 0.000 2.605 0.000 0.000 -LEU 8 3.800 0.000 0.000 1.939 0.000 0.000 -LYS 9 3.800 0.000 0.000 2.541 0.000 0.000 -ASP 10 3.800 0.000 0.000 1.709 0.000 0.000 -GLY 11 3.800 0.000 0.000 0.000 0.000 0.000 -GLY 12 3.800 0.000 0.000 0.000 0.000 0.000 -PRO 13 3.800 0.000 0.000 1.345 0.000 0.000 -SER 14 3.800 0.000 0.000 1.150 0.000 0.000 -SER 15 3.800 0.000 0.000 1.150 0.000 0.000 -GLY 16 3.800 0.000 0.000 0.000 0.000 0.000 -ARG 17 3.800 0.000 0.000 3.020 0.000 0.000 -PRO 18 3.800 0.000 0.000 1.345 0.000 0.000 -PRO 19 3.800 0.000 0.000 1.345 0.000 0.000 -PRO 20 3.800 0.000 0.000 1.345 0.000 0.000 -SER 21 3.800 0.000 0.000 1.150 0.000 0.000 -D 22 3.800 0.000 0.000 0.000 0.000 0.000 - - -******************************************************************************** - Processor 16: end reading molecular data. -******************************************************************************** - - -CSA calculations calculation. - -Conformations will be energy-minimized. -******************************************************************************** - -Waiting for 0.1289 sec -Waiting for 0.2852 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec - Finishing minim_jlee - signal 0 from master -Waiting for 0.6016 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.5898 sec -Waiting for 0.1133 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.5000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.8555 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.1250 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.9609 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0391 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.2539 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.5078 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0586 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.3047 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.4336 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.4609 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 1.4336 sec -Waiting for 0.0000 sec 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0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.5078 sec -Waiting for 0.0430 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.2344 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.7500 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.3555 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.4102 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.2773 sec -Waiting for 0.0039 sec -Waiting for 0.0156 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 1.0312 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.2461 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.6250 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.2969 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0430 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.3320 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.3359 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.1953 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0430 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.3086 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.3242 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0195 sec -Waiting for 0.0195 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.4648 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.3555 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.3477 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.3438 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.5156 sec -Waiting for 0.0117 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.3320 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.3281 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0078 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0078 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.3125 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.3398 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.3516 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.2969 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.3398 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.3320 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.3398 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.3750 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0039 sec -Waiting for 0.2031 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.3047 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.5703 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.4609 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.5312 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.3281 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0078 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.3711 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.3242 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.3672 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.2500 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.3477 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0039 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.3008 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.3164 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0078 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.3672 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.3750 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.3359 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.3477 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.3633 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.3789 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.7617 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.3633 sec 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0.4023 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.3711 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.3516 sec -Waiting for 0.0000 sec -Waiting for 0.5234 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.4102 sec -Waiting for 0.0977 sec 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0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.3047 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.5000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.3711 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0508 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.2969 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.4219 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.3477 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.3086 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.4922 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.2617 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.3047 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.4531 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.2773 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.2852 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.2969 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.3281 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.3242 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.4648 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0586 sec -Waiting for 0.3594 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.4219 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.3281 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.3164 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0781 sec -Waiting for 0.0039 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.3047 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.2695 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.3672 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0469 sec -Waiting for 0.4219 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.3320 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.2617 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.3789 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.3516 sec -Waiting for 0.0117 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.2539 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.4609 sec - Finishing minim_jlee - signal 0 from master - End of minim, proc 16 time 194.406250000000 -CG processor 16 is finishing work. - Total wall clock time 198.636718750000 sec diff --git a/examples/unres/CSA/GAB/CSA/1l2y_csa.out_GB017 b/examples/unres/CSA/GAB/CSA/1l2y_csa.out_GB017 deleted file mode 100644 index 0853454..0000000 --- a/examples/unres/CSA/GAB/CSA/1l2y_csa.out_GB017 +++ /dev/null @@ -1,1643 +0,0 @@ -******************************************************************************** -United-residue force field calculation - parallel job. -******************************************************************************** - MPI: node= 17 iseed= -55075373 - ran_num 0.927542296830648 -RMSDBC = 3.0 -RMSDBC1 = 0.5 -RMSDBC1MAX = 1.5 -DRMS = 0.1 -RMSDBCM = 3.0 -Time limit (min): 960.0 - RESCALE_MODE 0 -Library routine used to diagonalize matrices. - -******************************************************************************** - Options in energy minimization: -******************************************************************************** -MaxMin: 3000 MaxFun: 1000MinMin: 3000 MinFun: 3000 TolF: 1.00000E-02 RTolF: 1.00000E-04 - NCONF_IN 0 - -Energy-term weights (unscaled): - -WSCC= 1.352790 (SC-SC) -WSCP= 1.593040 (SC-p) -WELEC= 0.715340 (p-p electr) -WVDWPP= 0.113710 (p-p VDW) -WBOND= 1.000000 (stretching) -WANG= 1.138730 (bending) -WSCLOC= 0.162580 (SC local) -WTOR= 1.985990 (torsional) -WTORD= 1.570690 (double torsional) -WSTRAIN= 1.000000 (SS bridges & dist. cnstr.) -WEL_LOC= 0.160360 (multi-body 3-rd order) -WCORR4= 0.428870 (multi-body 4th order) -WCORR5= 0.000000 (multi-body 5th order) -WCORR6= 0.000000 (multi-body 6th order) -WSCCOR= 0.000000 (back-scloc correlation) -WTURN3= 1.687220 (turns, 3rd order) -WTURN4= 0.662300 (turns, 4th order) -WTURN6= 0.000000 (turns, 6th order) -WDFA_D= 0.000000 (DFA, distance) -WDFA_T= 0.000000 (DFA, torsional) -WDFA_N= 0.000000 (DFA, number of neighbor) -WDFA_B= 0.000000 (DFA, beta formation) - -Hydrogen-bonding correlation between contact pairs of peptide groups - -Scaling factor of 1,4 SC-p interactions: 0.400 -General scaling factor of SC-p interactions: 1.000 - -Energy-term weights (scaled): - -WSCC= 1.352790 (SC-SC) -WSCP= 1.593040 (SC-p) -WELEC= 0.715340 (p-p electr) -WVDWPP= 0.113710 (p-p VDW) -WBOND= 1.000000 (stretching) -WANG= 1.138730 (bending) -WSCLOC= 0.162580 (SC local) -WTOR= 1.985990 (torsional) -WTORD= 1.570690 (double torsional) -WSTRAIN= 1.000000 (SS bridges & dist. cnstr.) -WEL_LOC= 0.160360 (multi-body 3-rd order) -WCORR4= 0.428870 (multi-body 4th order) -WCORR5= 0.000000 (multi-body 5th order) -WCORR6= 0.000000 (multi-body 6th order) -WSCCOR= 0.000000 (back-scloc correlatkion) -WTURN3= 1.687220 (turns, 3rd order) -WTURN4= 0.662300 (turns, 4th order) -WTURN6= 0.000000 (turns, 6th order) -WDFA_D= 0.000000 (DFA, distance) -WDFA_T= 0.000000 (DFA, torsional) -WDFA_N= 0.000000 (DFA, number of neighbor) -WDFA_B= 0.000000 (DFA, beta formation) - Reference temperature for weights calculation: 300.000000000000 - Parameters of the SS-bond potential: - D0CM 3.78000000000000 AKCM 15.1000000000000 AKTH - 11.0000000000000 AKCT 12.0000000000000 - V1SS -1.08000000000000 V2SS 7.61000000000000 V3SS - 13.7000000000000 - EBR -5.50000000000000 - ITEL - 1 21 0 - 2 14 1 - 3 5 1 - 4 8 1 - 5 4 1 - 6 13 1 - 7 7 1 - 8 5 1 - 9 19 1 - 10 16 1 - 11 10 1 - 12 10 2 - 13 20 1 - 14 12 1 - 15 12 1 - 16 10 1 - 17 18 2 - 18 20 2 - 19 20 2 - 20 20 1 - 21 12 0 - ns= 0 iss: - NZ_START= 2 NZ_END= 21 - IZ_SC= 0 - -Geometry of the virtual chain. - Res d Theta Gamma Dsc Alpha Beta -D 1 0.000 0.000 0.000 0.000 0.000 0.000 -ASN 2 3.800 0.000 0.000 1.684 0.000 0.000 -LEU 3 3.800 0.000 0.000 1.939 0.000 0.000 -TYR 4 3.800 0.000 0.000 2.484 0.000 0.000 -ILE 5 3.800 0.000 0.000 1.776 0.000 0.000 -GLN 6 3.800 0.000 0.000 2.240 0.000 0.000 -TRP 7 3.800 0.000 0.000 2.605 0.000 0.000 -LEU 8 3.800 0.000 0.000 1.939 0.000 0.000 -LYS 9 3.800 0.000 0.000 2.541 0.000 0.000 -ASP 10 3.800 0.000 0.000 1.709 0.000 0.000 -GLY 11 3.800 0.000 0.000 0.000 0.000 0.000 -GLY 12 3.800 0.000 0.000 0.000 0.000 0.000 -PRO 13 3.800 0.000 0.000 1.345 0.000 0.000 -SER 14 3.800 0.000 0.000 1.150 0.000 0.000 -SER 15 3.800 0.000 0.000 1.150 0.000 0.000 -GLY 16 3.800 0.000 0.000 0.000 0.000 0.000 -ARG 17 3.800 0.000 0.000 3.020 0.000 0.000 -PRO 18 3.800 0.000 0.000 1.345 0.000 0.000 -PRO 19 3.800 0.000 0.000 1.345 0.000 0.000 -PRO 20 3.800 0.000 0.000 1.345 0.000 0.000 -SER 21 3.800 0.000 0.000 1.150 0.000 0.000 -D 22 3.800 0.000 0.000 0.000 0.000 0.000 - - -******************************************************************************** - Processor 17: end reading molecular data. -******************************************************************************** - - -CSA calculations calculation. - -Conformations will be energy-minimized. -******************************************************************************** - -Waiting for 0.1289 sec -Waiting for 0.2617 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec - Finishing minim_jlee - signal 0 from master -Waiting for 0.5977 sec -Waiting for 0.0000 sec -Waiting for 0.0430 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.6367 sec -Waiting for 0.0312 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0391 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.5156 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0273 sec -Waiting for 0.0352 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.8438 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0898 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 1.0273 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0508 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0078 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.3281 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.5234 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0312 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.3203 sec -Waiting for 0.0000 sec -Waiting for 0.0391 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.3906 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0469 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.4727 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec 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0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.3477 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.3516 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.2656 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec 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-Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.5938 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.4805 sec -Waiting for 0.0039 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.5703 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.3398 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.3320 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec 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0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.3398 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.2383 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec 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0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.3516 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.2930 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.3281 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec 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0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.3672 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.1562 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.3086 sec 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0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.3359 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.4766 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.3516 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.3008 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.3242 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.3359 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0820 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.3125 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.2695 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.2617 sec -Waiting for 0.0039 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.4570 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.2383 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.3047 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0078 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.2930 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.3555 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.3086 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.3672 sec - Finishing minim_jlee - signal 0 from master - End of minim, proc 17 time 194.406250000000 -CG processor 17 is finishing work. - Total wall clock time 198.636718750000 sec diff --git a/examples/unres/CSA/GAB/CSA/1l2y_csa.out_GB018 b/examples/unres/CSA/GAB/CSA/1l2y_csa.out_GB018 deleted file mode 100644 index f08edbe..0000000 --- a/examples/unres/CSA/GAB/CSA/1l2y_csa.out_GB018 +++ /dev/null @@ -1,1646 +0,0 @@ -******************************************************************************** -United-residue force field calculation - parallel job. -******************************************************************************** - MPI: node= 18 iseed= -58135116 - ran_num 0.201294542683428 -RMSDBC = 3.0 -RMSDBC1 = 0.5 -RMSDBC1MAX = 1.5 -DRMS = 0.1 -RMSDBCM = 3.0 -Time limit (min): 960.0 - RESCALE_MODE 0 -Library routine used to diagonalize matrices. - -******************************************************************************** - Options in energy minimization: -******************************************************************************** -MaxMin: 3000 MaxFun: 1000MinMin: 3000 MinFun: 3000 TolF: 1.00000E-02 RTolF: 1.00000E-04 - NCONF_IN 0 - -Energy-term weights (unscaled): - -WSCC= 1.352790 (SC-SC) -WSCP= 1.593040 (SC-p) -WELEC= 0.715340 (p-p electr) -WVDWPP= 0.113710 (p-p VDW) -WBOND= 1.000000 (stretching) -WANG= 1.138730 (bending) -WSCLOC= 0.162580 (SC local) -WTOR= 1.985990 (torsional) -WTORD= 1.570690 (double torsional) -WSTRAIN= 1.000000 (SS bridges & dist. cnstr.) -WEL_LOC= 0.160360 (multi-body 3-rd order) -WCORR4= 0.428870 (multi-body 4th order) -WCORR5= 0.000000 (multi-body 5th order) -WCORR6= 0.000000 (multi-body 6th order) -WSCCOR= 0.000000 (back-scloc correlation) -WTURN3= 1.687220 (turns, 3rd order) -WTURN4= 0.662300 (turns, 4th order) -WTURN6= 0.000000 (turns, 6th order) -WDFA_D= 0.000000 (DFA, distance) -WDFA_T= 0.000000 (DFA, torsional) -WDFA_N= 0.000000 (DFA, number of neighbor) -WDFA_B= 0.000000 (DFA, beta formation) - -Hydrogen-bonding correlation between contact pairs of peptide groups - -Scaling factor of 1,4 SC-p interactions: 0.400 -General scaling factor of SC-p interactions: 1.000 - -Energy-term weights (scaled): - -WSCC= 1.352790 (SC-SC) -WSCP= 1.593040 (SC-p) -WELEC= 0.715340 (p-p electr) -WVDWPP= 0.113710 (p-p VDW) -WBOND= 1.000000 (stretching) -WANG= 1.138730 (bending) -WSCLOC= 0.162580 (SC local) -WTOR= 1.985990 (torsional) -WTORD= 1.570690 (double torsional) -WSTRAIN= 1.000000 (SS bridges & dist. cnstr.) -WEL_LOC= 0.160360 (multi-body 3-rd order) -WCORR4= 0.428870 (multi-body 4th order) -WCORR5= 0.000000 (multi-body 5th order) -WCORR6= 0.000000 (multi-body 6th order) -WSCCOR= 0.000000 (back-scloc correlatkion) -WTURN3= 1.687220 (turns, 3rd order) -WTURN4= 0.662300 (turns, 4th order) -WTURN6= 0.000000 (turns, 6th order) -WDFA_D= 0.000000 (DFA, distance) -WDFA_T= 0.000000 (DFA, torsional) -WDFA_N= 0.000000 (DFA, number of neighbor) -WDFA_B= 0.000000 (DFA, beta formation) - Reference temperature for weights calculation: 300.000000000000 - Parameters of the SS-bond potential: - D0CM 3.78000000000000 AKCM 15.1000000000000 AKTH - 11.0000000000000 AKCT 12.0000000000000 - V1SS -1.08000000000000 V2SS 7.61000000000000 V3SS - 13.7000000000000 - EBR -5.50000000000000 - ITEL - 1 21 0 - 2 14 1 - 3 5 1 - 4 8 1 - 5 4 1 - 6 13 1 - 7 7 1 - 8 5 1 - 9 19 1 - 10 16 1 - 11 10 1 - 12 10 2 - 13 20 1 - 14 12 1 - 15 12 1 - 16 10 1 - 17 18 2 - 18 20 2 - 19 20 2 - 20 20 1 - 21 12 0 - ns= 0 iss: - NZ_START= 2 NZ_END= 21 - IZ_SC= 0 - -Geometry of the virtual chain. - Res d Theta Gamma Dsc Alpha Beta -D 1 0.000 0.000 0.000 0.000 0.000 0.000 -ASN 2 3.800 0.000 0.000 1.684 0.000 0.000 -LEU 3 3.800 0.000 0.000 1.939 0.000 0.000 -TYR 4 3.800 0.000 0.000 2.484 0.000 0.000 -ILE 5 3.800 0.000 0.000 1.776 0.000 0.000 -GLN 6 3.800 0.000 0.000 2.240 0.000 0.000 -TRP 7 3.800 0.000 0.000 2.605 0.000 0.000 -LEU 8 3.800 0.000 0.000 1.939 0.000 0.000 -LYS 9 3.800 0.000 0.000 2.541 0.000 0.000 -ASP 10 3.800 0.000 0.000 1.709 0.000 0.000 -GLY 11 3.800 0.000 0.000 0.000 0.000 0.000 -GLY 12 3.800 0.000 0.000 0.000 0.000 0.000 -PRO 13 3.800 0.000 0.000 1.345 0.000 0.000 -SER 14 3.800 0.000 0.000 1.150 0.000 0.000 -SER 15 3.800 0.000 0.000 1.150 0.000 0.000 -GLY 16 3.800 0.000 0.000 0.000 0.000 0.000 -ARG 17 3.800 0.000 0.000 3.020 0.000 0.000 -PRO 18 3.800 0.000 0.000 1.345 0.000 0.000 -PRO 19 3.800 0.000 0.000 1.345 0.000 0.000 -PRO 20 3.800 0.000 0.000 1.345 0.000 0.000 -SER 21 3.800 0.000 0.000 1.150 0.000 0.000 -D 22 3.800 0.000 0.000 0.000 0.000 0.000 - - -******************************************************************************** - Processor 18: end reading molecular data. -******************************************************************************** - - -CSA calculations calculation. - -Conformations will be energy-minimized. -******************************************************************************** - -Waiting for 0.1289 sec -Waiting for 0.3281 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec - Finishing minim_jlee - signal 0 from master -Waiting for 0.5977 sec -Waiting for 0.0000 sec -Waiting for 0.0430 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0078 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.4961 sec -Waiting for 0.1328 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0469 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.4922 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0195 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.8516 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.1211 sec 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0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.3359 sec -Waiting for 0.0430 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.4297 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.4727 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec 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0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.4688 sec -Waiting for 0.0195 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.2969 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.7383 sec -Waiting for 0.0000 sec 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0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.3477 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0312 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.2891 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.3164 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec 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0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.3906 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.5000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.3359 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.3086 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.3477 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.3398 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.3359 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.2891 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.2891 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.3203 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.3438 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.3633 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.2344 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0781 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.3008 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.5586 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.4766 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.5664 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.3359 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.3633 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.3789 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec 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0.0000 sec -Waiting for 0.2773 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0586 sec -Waiting for 0.0000 sec -Waiting for 0.0078 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.3086 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.3516 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.3281 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.4766 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.3125 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.3438 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.3984 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.3242 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.2656 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.4570 sec - Finishing minim_jlee - signal 0 from master - End of minim, proc 18 time 194.406250000000 -CG processor 18 is finishing work. - Total wall clock time 198.636718750000 sec diff --git a/examples/unres/CSA/GAB/CSA/1l2y_csa.out_GB019 b/examples/unres/CSA/GAB/CSA/1l2y_csa.out_GB019 deleted file mode 100644 index 56710c6..0000000 --- a/examples/unres/CSA/GAB/CSA/1l2y_csa.out_GB019 +++ /dev/null @@ -1,1648 +0,0 @@ -******************************************************************************** -United-residue force field calculation - parallel job. -******************************************************************************** - MPI: node= 19 iseed= -61194859 - ran_num 0.475046788536207 -RMSDBC = 3.0 -RMSDBC1 = 0.5 -RMSDBC1MAX = 1.5 -DRMS = 0.1 -RMSDBCM = 3.0 -Time limit (min): 960.0 - RESCALE_MODE 0 -Library routine used to diagonalize matrices. - -******************************************************************************** - Options in energy minimization: -******************************************************************************** -MaxMin: 3000 MaxFun: 1000MinMin: 3000 MinFun: 3000 TolF: 1.00000E-02 RTolF: 1.00000E-04 - NCONF_IN 0 - -Energy-term weights (unscaled): - -WSCC= 1.352790 (SC-SC) -WSCP= 1.593040 (SC-p) -WELEC= 0.715340 (p-p electr) -WVDWPP= 0.113710 (p-p VDW) -WBOND= 1.000000 (stretching) -WANG= 1.138730 (bending) -WSCLOC= 0.162580 (SC local) -WTOR= 1.985990 (torsional) -WTORD= 1.570690 (double torsional) -WSTRAIN= 1.000000 (SS bridges & dist. cnstr.) -WEL_LOC= 0.160360 (multi-body 3-rd order) -WCORR4= 0.428870 (multi-body 4th order) -WCORR5= 0.000000 (multi-body 5th order) -WCORR6= 0.000000 (multi-body 6th order) -WSCCOR= 0.000000 (back-scloc correlation) -WTURN3= 1.687220 (turns, 3rd order) -WTURN4= 0.662300 (turns, 4th order) -WTURN6= 0.000000 (turns, 6th order) -WDFA_D= 0.000000 (DFA, distance) -WDFA_T= 0.000000 (DFA, torsional) -WDFA_N= 0.000000 (DFA, number of neighbor) -WDFA_B= 0.000000 (DFA, beta formation) - -Hydrogen-bonding correlation between contact pairs of peptide groups - -Scaling factor of 1,4 SC-p interactions: 0.400 -General scaling factor of SC-p interactions: 1.000 - -Energy-term weights (scaled): - -WSCC= 1.352790 (SC-SC) -WSCP= 1.593040 (SC-p) -WELEC= 0.715340 (p-p electr) -WVDWPP= 0.113710 (p-p VDW) -WBOND= 1.000000 (stretching) -WANG= 1.138730 (bending) -WSCLOC= 0.162580 (SC local) -WTOR= 1.985990 (torsional) -WTORD= 1.570690 (double torsional) -WSTRAIN= 1.000000 (SS bridges & dist. cnstr.) -WEL_LOC= 0.160360 (multi-body 3-rd order) -WCORR4= 0.428870 (multi-body 4th order) -WCORR5= 0.000000 (multi-body 5th order) -WCORR6= 0.000000 (multi-body 6th order) -WSCCOR= 0.000000 (back-scloc correlatkion) -WTURN3= 1.687220 (turns, 3rd order) -WTURN4= 0.662300 (turns, 4th order) -WTURN6= 0.000000 (turns, 6th order) -WDFA_D= 0.000000 (DFA, distance) -WDFA_T= 0.000000 (DFA, torsional) -WDFA_N= 0.000000 (DFA, number of neighbor) -WDFA_B= 0.000000 (DFA, beta formation) - Reference temperature for weights calculation: 300.000000000000 - Parameters of the SS-bond potential: - D0CM 3.78000000000000 AKCM 15.1000000000000 AKTH - 11.0000000000000 AKCT 12.0000000000000 - V1SS -1.08000000000000 V2SS 7.61000000000000 V3SS - 13.7000000000000 - EBR -5.50000000000000 - ITEL - 1 21 0 - 2 14 1 - 3 5 1 - 4 8 1 - 5 4 1 - 6 13 1 - 7 7 1 - 8 5 1 - 9 19 1 - 10 16 1 - 11 10 1 - 12 10 2 - 13 20 1 - 14 12 1 - 15 12 1 - 16 10 1 - 17 18 2 - 18 20 2 - 19 20 2 - 20 20 1 - 21 12 0 - ns= 0 iss: - NZ_START= 2 NZ_END= 21 - IZ_SC= 0 - -Geometry of the virtual chain. - Res d Theta Gamma Dsc Alpha Beta -D 1 0.000 0.000 0.000 0.000 0.000 0.000 -ASN 2 3.800 0.000 0.000 1.684 0.000 0.000 -LEU 3 3.800 0.000 0.000 1.939 0.000 0.000 -TYR 4 3.800 0.000 0.000 2.484 0.000 0.000 -ILE 5 3.800 0.000 0.000 1.776 0.000 0.000 -GLN 6 3.800 0.000 0.000 2.240 0.000 0.000 -TRP 7 3.800 0.000 0.000 2.605 0.000 0.000 -LEU 8 3.800 0.000 0.000 1.939 0.000 0.000 -LYS 9 3.800 0.000 0.000 2.541 0.000 0.000 -ASP 10 3.800 0.000 0.000 1.709 0.000 0.000 -GLY 11 3.800 0.000 0.000 0.000 0.000 0.000 -GLY 12 3.800 0.000 0.000 0.000 0.000 0.000 -PRO 13 3.800 0.000 0.000 1.345 0.000 0.000 -SER 14 3.800 0.000 0.000 1.150 0.000 0.000 -SER 15 3.800 0.000 0.000 1.150 0.000 0.000 -GLY 16 3.800 0.000 0.000 0.000 0.000 0.000 -ARG 17 3.800 0.000 0.000 3.020 0.000 0.000 -PRO 18 3.800 0.000 0.000 1.345 0.000 0.000 -PRO 19 3.800 0.000 0.000 1.345 0.000 0.000 -PRO 20 3.800 0.000 0.000 1.345 0.000 0.000 -SER 21 3.800 0.000 0.000 1.150 0.000 0.000 -D 22 3.800 0.000 0.000 0.000 0.000 0.000 - - -******************************************************************************** - Processor 19: end reading molecular data. -******************************************************************************** - - -CSA calculations calculation. - -Conformations will be energy-minimized. -******************************************************************************** - -Waiting for 0.1367 sec -Waiting for 0.2852 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec - Finishing minim_jlee - signal 0 from master -Waiting for 0.6094 sec -Waiting for 0.0469 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.5352 sec -Waiting for 0.0000 sec -Waiting for 0.1133 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.4805 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.8672 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0977 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 1.0391 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0391 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.3047 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0078 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.5430 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0391 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.2656 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0273 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0586 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.4336 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.4531 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 1.4297 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.2930 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.4766 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.5117 sec -Waiting for 0.0000 sec -Waiting for 0.0586 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.3359 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.7227 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec 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0.0000 sec -Waiting for 1.0469 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.2500 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0195 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.5352 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.2930 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0078 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec 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0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.2969 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.3516 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0391 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.5352 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.3164 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.2734 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.3633 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.5117 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.3281 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.3359 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.3516 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.3633 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0078 sec -Waiting for 0.0039 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.3398 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.2656 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.3594 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.3203 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.2734 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.3516 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.2812 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.1094 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.2422 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.5781 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.4805 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.5586 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.2891 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.3477 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.3711 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.3906 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.2969 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.3203 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.3125 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0078 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.3672 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.3555 sec 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0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.3281 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.3867 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.3281 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.3242 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.3164 sec - Finishing minim_jlee - signal 0 from master - End of minim, proc 19 time 194.402343750000 -CG processor 19 is finishing work. - Total wall clock time 198.632812500000 sec diff --git a/examples/unres/CSA/GAB/CSA/1l2y_csa.out_GB020 b/examples/unres/CSA/GAB/CSA/1l2y_csa.out_GB020 deleted file mode 100644 index 8ee0e65..0000000 --- a/examples/unres/CSA/GAB/CSA/1l2y_csa.out_GB020 +++ /dev/null @@ -1,1605 +0,0 @@ -******************************************************************************** -United-residue force field calculation - parallel job. -******************************************************************************** - MPI: node= 20 iseed= -64254602 - ran_num 0.748799034388987 -RMSDBC = 3.0 -RMSDBC1 = 0.5 -RMSDBC1MAX = 1.5 -DRMS = 0.1 -RMSDBCM = 3.0 -Time limit (min): 960.0 - RESCALE_MODE 0 -Library routine used to diagonalize matrices. - -******************************************************************************** - Options in energy minimization: -******************************************************************************** -MaxMin: 3000 MaxFun: 1000MinMin: 3000 MinFun: 3000 TolF: 1.00000E-02 RTolF: 1.00000E-04 - NCONF_IN 0 - -Energy-term weights (unscaled): - -WSCC= 1.352790 (SC-SC) -WSCP= 1.593040 (SC-p) -WELEC= 0.715340 (p-p electr) -WVDWPP= 0.113710 (p-p VDW) -WBOND= 1.000000 (stretching) -WANG= 1.138730 (bending) -WSCLOC= 0.162580 (SC local) -WTOR= 1.985990 (torsional) -WTORD= 1.570690 (double torsional) -WSTRAIN= 1.000000 (SS bridges & dist. cnstr.) -WEL_LOC= 0.160360 (multi-body 3-rd order) -WCORR4= 0.428870 (multi-body 4th order) -WCORR5= 0.000000 (multi-body 5th order) -WCORR6= 0.000000 (multi-body 6th order) -WSCCOR= 0.000000 (back-scloc correlation) -WTURN3= 1.687220 (turns, 3rd order) -WTURN4= 0.662300 (turns, 4th order) -WTURN6= 0.000000 (turns, 6th order) -WDFA_D= 0.000000 (DFA, distance) -WDFA_T= 0.000000 (DFA, torsional) -WDFA_N= 0.000000 (DFA, number of neighbor) -WDFA_B= 0.000000 (DFA, beta formation) - -Hydrogen-bonding correlation between contact pairs of peptide groups - -Scaling factor of 1,4 SC-p interactions: 0.400 -General scaling factor of SC-p interactions: 1.000 - -Energy-term weights (scaled): - -WSCC= 1.352790 (SC-SC) -WSCP= 1.593040 (SC-p) -WELEC= 0.715340 (p-p electr) -WVDWPP= 0.113710 (p-p VDW) -WBOND= 1.000000 (stretching) -WANG= 1.138730 (bending) -WSCLOC= 0.162580 (SC local) -WTOR= 1.985990 (torsional) -WTORD= 1.570690 (double torsional) -WSTRAIN= 1.000000 (SS bridges & dist. cnstr.) -WEL_LOC= 0.160360 (multi-body 3-rd order) -WCORR4= 0.428870 (multi-body 4th order) -WCORR5= 0.000000 (multi-body 5th order) -WCORR6= 0.000000 (multi-body 6th order) -WSCCOR= 0.000000 (back-scloc correlatkion) -WTURN3= 1.687220 (turns, 3rd order) -WTURN4= 0.662300 (turns, 4th order) -WTURN6= 0.000000 (turns, 6th order) -WDFA_D= 0.000000 (DFA, distance) -WDFA_T= 0.000000 (DFA, torsional) -WDFA_N= 0.000000 (DFA, number of neighbor) -WDFA_B= 0.000000 (DFA, beta formation) - Reference temperature for weights calculation: 300.000000000000 - Parameters of the SS-bond potential: - D0CM 3.78000000000000 AKCM 15.1000000000000 AKTH - 11.0000000000000 AKCT 12.0000000000000 - V1SS -1.08000000000000 V2SS 7.61000000000000 V3SS - 13.7000000000000 - EBR -5.50000000000000 - ITEL - 1 21 0 - 2 14 1 - 3 5 1 - 4 8 1 - 5 4 1 - 6 13 1 - 7 7 1 - 8 5 1 - 9 19 1 - 10 16 1 - 11 10 1 - 12 10 2 - 13 20 1 - 14 12 1 - 15 12 1 - 16 10 1 - 17 18 2 - 18 20 2 - 19 20 2 - 20 20 1 - 21 12 0 - ns= 0 iss: - NZ_START= 2 NZ_END= 21 - IZ_SC= 0 - -Geometry of the virtual chain. - Res d Theta Gamma Dsc Alpha Beta -D 1 0.000 0.000 0.000 0.000 0.000 0.000 -ASN 2 3.800 0.000 0.000 1.684 0.000 0.000 -LEU 3 3.800 0.000 0.000 1.939 0.000 0.000 -TYR 4 3.800 0.000 0.000 2.484 0.000 0.000 -ILE 5 3.800 0.000 0.000 1.776 0.000 0.000 -GLN 6 3.800 0.000 0.000 2.240 0.000 0.000 -TRP 7 3.800 0.000 0.000 2.605 0.000 0.000 -LEU 8 3.800 0.000 0.000 1.939 0.000 0.000 -LYS 9 3.800 0.000 0.000 2.541 0.000 0.000 -ASP 10 3.800 0.000 0.000 1.709 0.000 0.000 -GLY 11 3.800 0.000 0.000 0.000 0.000 0.000 -GLY 12 3.800 0.000 0.000 0.000 0.000 0.000 -PRO 13 3.800 0.000 0.000 1.345 0.000 0.000 -SER 14 3.800 0.000 0.000 1.150 0.000 0.000 -SER 15 3.800 0.000 0.000 1.150 0.000 0.000 -GLY 16 3.800 0.000 0.000 0.000 0.000 0.000 -ARG 17 3.800 0.000 0.000 3.020 0.000 0.000 -PRO 18 3.800 0.000 0.000 1.345 0.000 0.000 -PRO 19 3.800 0.000 0.000 1.345 0.000 0.000 -PRO 20 3.800 0.000 0.000 1.345 0.000 0.000 -SER 21 3.800 0.000 0.000 1.150 0.000 0.000 -D 22 3.800 0.000 0.000 0.000 0.000 0.000 - - -******************************************************************************** - Processor 20: end reading molecular data. -******************************************************************************** - - -CSA calculations calculation. - -Conformations will be energy-minimized. -******************************************************************************** - -Waiting for 0.1211 sec -Waiting for 0.1641 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec - Finishing minim_jlee - signal 0 from master -Waiting for 0.5977 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.6289 sec -Waiting for 0.0000 sec -Waiting for 0.1250 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.5195 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.8125 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.1250 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 1.0469 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0352 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.3086 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.5312 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0117 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.3008 sec -Waiting for 0.0000 sec -Waiting for 0.0078 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.3633 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.4766 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 1.4375 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.2188 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.5000 sec -Waiting for 0.0000 sec -Waiting for 0.0273 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.4844 sec -Waiting for 0.0703 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.1992 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.7461 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.3008 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.4219 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.2930 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 1.0664 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.3008 sec -Waiting for 0.0000 sec -Waiting for 0.0117 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.6406 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.3008 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0352 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.3203 sec -Waiting for 0.0000 sec -Waiting for 0.0078 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.3398 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.3242 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.3008 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.3125 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.4805 sec -Waiting for 0.0039 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.3438 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.3516 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0078 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.3867 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.4922 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.3203 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.3438 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.3594 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.3555 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.3398 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.2852 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0078 sec -Waiting for 0.3438 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.2891 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.3438 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.3555 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.2500 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0469 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.3359 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.5938 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.4570 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.5469 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.3125 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.3633 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.3633 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.4023 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.3047 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.3672 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.3086 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.2852 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.1953 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.3594 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.3711 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.3320 sec -Waiting for 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-Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.3281 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.3359 sec -Waiting for 0.0117 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.3164 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.3008 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.3359 sec - Finishing minim_jlee - signal 0 from master - End of minim, proc 20 time 194.394531250000 -CG processor 20 is finishing work. - Total wall clock time 198.621093750000 sec diff --git a/examples/unres/CSA/GAB/CSA/1l2y_csa.out_GB021 b/examples/unres/CSA/GAB/CSA/1l2y_csa.out_GB021 deleted file mode 100644 index 240379f..0000000 --- a/examples/unres/CSA/GAB/CSA/1l2y_csa.out_GB021 +++ /dev/null @@ -1,1625 +0,0 @@ -******************************************************************************** -United-residue force field calculation - parallel job. -******************************************************************************** - MPI: node= 21 iseed= -67314345 - ran_num 2.255128024176600E-002 -RMSDBC = 3.0 -RMSDBC1 = 0.5 -RMSDBC1MAX = 1.5 -DRMS = 0.1 -RMSDBCM = 3.0 -Time limit (min): 960.0 - RESCALE_MODE 0 -Library routine used to diagonalize matrices. - -******************************************************************************** - Options in energy minimization: -******************************************************************************** -MaxMin: 3000 MaxFun: 1000MinMin: 3000 MinFun: 3000 TolF: 1.00000E-02 RTolF: 1.00000E-04 - NCONF_IN 0 - -Energy-term weights (unscaled): - -WSCC= 1.352790 (SC-SC) -WSCP= 1.593040 (SC-p) -WELEC= 0.715340 (p-p electr) -WVDWPP= 0.113710 (p-p VDW) -WBOND= 1.000000 (stretching) -WANG= 1.138730 (bending) -WSCLOC= 0.162580 (SC local) -WTOR= 1.985990 (torsional) -WTORD= 1.570690 (double torsional) -WSTRAIN= 1.000000 (SS bridges & dist. cnstr.) -WEL_LOC= 0.160360 (multi-body 3-rd order) -WCORR4= 0.428870 (multi-body 4th order) -WCORR5= 0.000000 (multi-body 5th order) -WCORR6= 0.000000 (multi-body 6th order) -WSCCOR= 0.000000 (back-scloc correlation) -WTURN3= 1.687220 (turns, 3rd order) -WTURN4= 0.662300 (turns, 4th order) -WTURN6= 0.000000 (turns, 6th order) -WDFA_D= 0.000000 (DFA, distance) -WDFA_T= 0.000000 (DFA, torsional) -WDFA_N= 0.000000 (DFA, number of neighbor) -WDFA_B= 0.000000 (DFA, beta formation) - -Hydrogen-bonding correlation between contact pairs of peptide groups - -Scaling factor of 1,4 SC-p interactions: 0.400 -General scaling factor of SC-p interactions: 1.000 - -Energy-term weights (scaled): - -WSCC= 1.352790 (SC-SC) -WSCP= 1.593040 (SC-p) -WELEC= 0.715340 (p-p electr) -WVDWPP= 0.113710 (p-p VDW) -WBOND= 1.000000 (stretching) -WANG= 1.138730 (bending) -WSCLOC= 0.162580 (SC local) -WTOR= 1.985990 (torsional) -WTORD= 1.570690 (double torsional) -WSTRAIN= 1.000000 (SS bridges & dist. cnstr.) -WEL_LOC= 0.160360 (multi-body 3-rd order) -WCORR4= 0.428870 (multi-body 4th order) -WCORR5= 0.000000 (multi-body 5th order) -WCORR6= 0.000000 (multi-body 6th order) -WSCCOR= 0.000000 (back-scloc correlatkion) -WTURN3= 1.687220 (turns, 3rd order) -WTURN4= 0.662300 (turns, 4th order) -WTURN6= 0.000000 (turns, 6th order) -WDFA_D= 0.000000 (DFA, distance) -WDFA_T= 0.000000 (DFA, torsional) -WDFA_N= 0.000000 (DFA, number of neighbor) -WDFA_B= 0.000000 (DFA, beta formation) - Reference temperature for weights calculation: 300.000000000000 - Parameters of the SS-bond potential: - D0CM 3.78000000000000 AKCM 15.1000000000000 AKTH - 11.0000000000000 AKCT 12.0000000000000 - V1SS -1.08000000000000 V2SS 7.61000000000000 V3SS - 13.7000000000000 - EBR -5.50000000000000 - ITEL - 1 21 0 - 2 14 1 - 3 5 1 - 4 8 1 - 5 4 1 - 6 13 1 - 7 7 1 - 8 5 1 - 9 19 1 - 10 16 1 - 11 10 1 - 12 10 2 - 13 20 1 - 14 12 1 - 15 12 1 - 16 10 1 - 17 18 2 - 18 20 2 - 19 20 2 - 20 20 1 - 21 12 0 - ns= 0 iss: - NZ_START= 2 NZ_END= 21 - IZ_SC= 0 - -Geometry of the virtual chain. - Res d Theta Gamma Dsc Alpha Beta -D 1 0.000 0.000 0.000 0.000 0.000 0.000 -ASN 2 3.800 0.000 0.000 1.684 0.000 0.000 -LEU 3 3.800 0.000 0.000 1.939 0.000 0.000 -TYR 4 3.800 0.000 0.000 2.484 0.000 0.000 -ILE 5 3.800 0.000 0.000 1.776 0.000 0.000 -GLN 6 3.800 0.000 0.000 2.240 0.000 0.000 -TRP 7 3.800 0.000 0.000 2.605 0.000 0.000 -LEU 8 3.800 0.000 0.000 1.939 0.000 0.000 -LYS 9 3.800 0.000 0.000 2.541 0.000 0.000 -ASP 10 3.800 0.000 0.000 1.709 0.000 0.000 -GLY 11 3.800 0.000 0.000 0.000 0.000 0.000 -GLY 12 3.800 0.000 0.000 0.000 0.000 0.000 -PRO 13 3.800 0.000 0.000 1.345 0.000 0.000 -SER 14 3.800 0.000 0.000 1.150 0.000 0.000 -SER 15 3.800 0.000 0.000 1.150 0.000 0.000 -GLY 16 3.800 0.000 0.000 0.000 0.000 0.000 -ARG 17 3.800 0.000 0.000 3.020 0.000 0.000 -PRO 18 3.800 0.000 0.000 1.345 0.000 0.000 -PRO 19 3.800 0.000 0.000 1.345 0.000 0.000 -PRO 20 3.800 0.000 0.000 1.345 0.000 0.000 -SER 21 3.800 0.000 0.000 1.150 0.000 0.000 -D 22 3.800 0.000 0.000 0.000 0.000 0.000 - - -******************************************************************************** - Processor 21: end reading molecular data. -******************************************************************************** - - -CSA calculations calculation. - -Conformations will be energy-minimized. -******************************************************************************** - -Waiting for 0.1211 sec -Waiting for 0.3125 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec - Finishing minim_jlee - signal 0 from master -Waiting for 0.5977 sec -Waiting for 0.0312 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.6133 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.5039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0117 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.8750 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.1211 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 1.0352 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0547 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.3164 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.5195 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0156 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.3203 sec -Waiting for 0.0000 sec -Waiting for 0.0117 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.4062 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0547 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.4570 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 1.4180 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.3047 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0156 sec -Waiting for 0.0039 sec -Waiting for 0.0078 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.5078 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.4844 sec -Waiting for 0.1328 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.3203 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.6953 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.2930 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.4219 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.3242 sec -Waiting for 0.0000 sec -Waiting for 0.0312 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 1.0469 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.2812 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.6055 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.2539 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.2383 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.3359 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.3398 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.3125 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.3242 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0078 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.4570 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.3242 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.3633 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.3750 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.5312 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.3438 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.3125 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.3398 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.2969 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.3281 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.2734 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.3594 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.2930 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.3438 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.3789 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.2734 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0430 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.3359 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.5820 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.4883 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.5508 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.3594 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.3711 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.3359 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.4023 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.2891 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.3516 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.3125 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.3359 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.3281 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.3398 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.3359 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.3516 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.3398 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.3516 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.7461 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.3906 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.9258 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.2188 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.4062 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.3164 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec 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-Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.4648 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.2539 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.3359 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.3828 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.3320 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.3203 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.4570 sec - Finishing minim_jlee - signal 0 from master - End of minim, proc 21 time 194.390625000000 -CG processor 21 is finishing work. - Total wall clock time 198.617187500000 sec diff --git a/examples/unres/CSA/GAB/CSA/1l2y_csa.out_GB022 b/examples/unres/CSA/GAB/CSA/1l2y_csa.out_GB022 deleted file mode 100644 index 042fcfa..0000000 --- a/examples/unres/CSA/GAB/CSA/1l2y_csa.out_GB022 +++ /dev/null @@ -1,1634 +0,0 @@ -******************************************************************************** -United-residue force field calculation - parallel job. -******************************************************************************** - MPI: node= 22 iseed= -70374088 - ran_num 0.296303526094545 -RMSDBC = 3.0 -RMSDBC1 = 0.5 -RMSDBC1MAX = 1.5 -DRMS = 0.1 -RMSDBCM = 3.0 -Time limit (min): 960.0 - RESCALE_MODE 0 -Library routine used to diagonalize matrices. - -******************************************************************************** - Options in energy minimization: -******************************************************************************** -MaxMin: 3000 MaxFun: 1000MinMin: 3000 MinFun: 3000 TolF: 1.00000E-02 RTolF: 1.00000E-04 - NCONF_IN 0 - -Energy-term weights (unscaled): - -WSCC= 1.352790 (SC-SC) -WSCP= 1.593040 (SC-p) -WELEC= 0.715340 (p-p electr) -WVDWPP= 0.113710 (p-p VDW) -WBOND= 1.000000 (stretching) -WANG= 1.138730 (bending) -WSCLOC= 0.162580 (SC local) -WTOR= 1.985990 (torsional) -WTORD= 1.570690 (double torsional) -WSTRAIN= 1.000000 (SS bridges & dist. cnstr.) -WEL_LOC= 0.160360 (multi-body 3-rd order) -WCORR4= 0.428870 (multi-body 4th order) -WCORR5= 0.000000 (multi-body 5th order) -WCORR6= 0.000000 (multi-body 6th order) -WSCCOR= 0.000000 (back-scloc correlation) -WTURN3= 1.687220 (turns, 3rd order) -WTURN4= 0.662300 (turns, 4th order) -WTURN6= 0.000000 (turns, 6th order) -WDFA_D= 0.000000 (DFA, distance) -WDFA_T= 0.000000 (DFA, torsional) -WDFA_N= 0.000000 (DFA, number of neighbor) -WDFA_B= 0.000000 (DFA, beta formation) - -Hydrogen-bonding correlation between contact pairs of peptide groups - -Scaling factor of 1,4 SC-p interactions: 0.400 -General scaling factor of SC-p interactions: 1.000 - -Energy-term weights (scaled): - -WSCC= 1.352790 (SC-SC) -WSCP= 1.593040 (SC-p) -WELEC= 0.715340 (p-p electr) -WVDWPP= 0.113710 (p-p VDW) -WBOND= 1.000000 (stretching) -WANG= 1.138730 (bending) -WSCLOC= 0.162580 (SC local) -WTOR= 1.985990 (torsional) -WTORD= 1.570690 (double torsional) -WSTRAIN= 1.000000 (SS bridges & dist. cnstr.) -WEL_LOC= 0.160360 (multi-body 3-rd order) -WCORR4= 0.428870 (multi-body 4th order) -WCORR5= 0.000000 (multi-body 5th order) -WCORR6= 0.000000 (multi-body 6th order) -WSCCOR= 0.000000 (back-scloc correlatkion) -WTURN3= 1.687220 (turns, 3rd order) -WTURN4= 0.662300 (turns, 4th order) -WTURN6= 0.000000 (turns, 6th order) -WDFA_D= 0.000000 (DFA, distance) -WDFA_T= 0.000000 (DFA, torsional) -WDFA_N= 0.000000 (DFA, number of neighbor) -WDFA_B= 0.000000 (DFA, beta formation) - Reference temperature for weights calculation: 300.000000000000 - Parameters of the SS-bond potential: - D0CM 3.78000000000000 AKCM 15.1000000000000 AKTH - 11.0000000000000 AKCT 12.0000000000000 - V1SS -1.08000000000000 V2SS 7.61000000000000 V3SS - 13.7000000000000 - EBR -5.50000000000000 - ITEL - 1 21 0 - 2 14 1 - 3 5 1 - 4 8 1 - 5 4 1 - 6 13 1 - 7 7 1 - 8 5 1 - 9 19 1 - 10 16 1 - 11 10 1 - 12 10 2 - 13 20 1 - 14 12 1 - 15 12 1 - 16 10 1 - 17 18 2 - 18 20 2 - 19 20 2 - 20 20 1 - 21 12 0 - ns= 0 iss: - NZ_START= 2 NZ_END= 21 - IZ_SC= 0 - -Geometry of the virtual chain. - Res d Theta Gamma Dsc Alpha Beta -D 1 0.000 0.000 0.000 0.000 0.000 0.000 -ASN 2 3.800 0.000 0.000 1.684 0.000 0.000 -LEU 3 3.800 0.000 0.000 1.939 0.000 0.000 -TYR 4 3.800 0.000 0.000 2.484 0.000 0.000 -ILE 5 3.800 0.000 0.000 1.776 0.000 0.000 -GLN 6 3.800 0.000 0.000 2.240 0.000 0.000 -TRP 7 3.800 0.000 0.000 2.605 0.000 0.000 -LEU 8 3.800 0.000 0.000 1.939 0.000 0.000 -LYS 9 3.800 0.000 0.000 2.541 0.000 0.000 -ASP 10 3.800 0.000 0.000 1.709 0.000 0.000 -GLY 11 3.800 0.000 0.000 0.000 0.000 0.000 -GLY 12 3.800 0.000 0.000 0.000 0.000 0.000 -PRO 13 3.800 0.000 0.000 1.345 0.000 0.000 -SER 14 3.800 0.000 0.000 1.150 0.000 0.000 -SER 15 3.800 0.000 0.000 1.150 0.000 0.000 -GLY 16 3.800 0.000 0.000 0.000 0.000 0.000 -ARG 17 3.800 0.000 0.000 3.020 0.000 0.000 -PRO 18 3.800 0.000 0.000 1.345 0.000 0.000 -PRO 19 3.800 0.000 0.000 1.345 0.000 0.000 -PRO 20 3.800 0.000 0.000 1.345 0.000 0.000 -SER 21 3.800 0.000 0.000 1.150 0.000 0.000 -D 22 3.800 0.000 0.000 0.000 0.000 0.000 - - -******************************************************************************** - Processor 22: end reading molecular data. -******************************************************************************** - - -CSA calculations calculation. - -Conformations will be energy-minimized. -******************************************************************************** - -Waiting for 0.1211 sec -Waiting for 0.2578 sec -Waiting for 0.0156 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0430 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec - Finishing minim_jlee - signal 0 from master -Waiting for 0.5977 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0312 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.5781 sec -Waiting for 0.0547 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.4609 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.8516 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.1016 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 1.0195 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.3359 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.4570 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0742 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.3008 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0234 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0312 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.4062 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0195 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.4570 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 1.4531 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.3008 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.4805 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.5039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.3320 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.7305 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.3633 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.4453 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.3242 sec -Waiting for 0.0000 sec -Waiting for 0.0547 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 1.0469 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.1641 sec -Waiting for 0.0000 sec -Waiting for 0.0195 sec -Waiting for 0.0000 sec -Waiting for 0.5781 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.3164 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.3242 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0078 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.3086 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.2930 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0117 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.2930 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.3555 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.4922 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.3203 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.3320 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.3789 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.5195 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.3164 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.3125 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.3320 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.2539 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.3555 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.2930 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.3633 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.3398 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.3320 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.3672 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.2188 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.2422 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.5469 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.4570 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.5195 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.3438 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.3516 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.3359 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.3594 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.2930 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.3594 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.3164 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.2656 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.2812 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.3711 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.3477 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.3398 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.3633 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.3594 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.7227 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.3086 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.8672 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.3047 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.3594 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.3594 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.3438 sec -Waiting for 0.0000 sec -Waiting for 0.6016 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.4375 sec -Waiting for 0.0000 sec -Waiting for 0.0664 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.4414 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.8828 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.3242 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.5117 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec 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-Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.3164 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.3477 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.3477 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.3398 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.1953 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.2969 sec 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0.0000 sec -Waiting for 0.4570 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0391 sec -Waiting for 0.3867 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.4219 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.3398 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.3125 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0508 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.3164 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.3281 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.3633 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.3672 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.3359 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.2930 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.3672 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.3242 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.2773 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.4375 sec - Finishing minim_jlee - signal 0 from master - End of minim, proc 22 time 194.390625000000 -CG processor 22 is finishing work. - Total wall clock time 198.617187500000 sec diff --git a/examples/unres/CSA/GAB/CSA/1l2y_csa.out_GB023 b/examples/unres/CSA/GAB/CSA/1l2y_csa.out_GB023 deleted file mode 100644 index 51a5160..0000000 --- a/examples/unres/CSA/GAB/CSA/1l2y_csa.out_GB023 +++ /dev/null @@ -1,1587 +0,0 @@ -******************************************************************************** -United-residue force field calculation - parallel job. -******************************************************************************** - MPI: node= 23 iseed= -73433831 - ran_num 0.570055771947325 -RMSDBC = 3.0 -RMSDBC1 = 0.5 -RMSDBC1MAX = 1.5 -DRMS = 0.1 -RMSDBCM = 3.0 -Time limit (min): 960.0 - RESCALE_MODE 0 -Library routine used to diagonalize matrices. - -******************************************************************************** - Options in energy minimization: -******************************************************************************** -MaxMin: 3000 MaxFun: 1000MinMin: 3000 MinFun: 3000 TolF: 1.00000E-02 RTolF: 1.00000E-04 - NCONF_IN 0 - -Energy-term weights (unscaled): - -WSCC= 1.352790 (SC-SC) -WSCP= 1.593040 (SC-p) -WELEC= 0.715340 (p-p electr) -WVDWPP= 0.113710 (p-p VDW) -WBOND= 1.000000 (stretching) -WANG= 1.138730 (bending) -WSCLOC= 0.162580 (SC local) -WTOR= 1.985990 (torsional) -WTORD= 1.570690 (double torsional) -WSTRAIN= 1.000000 (SS bridges & dist. cnstr.) -WEL_LOC= 0.160360 (multi-body 3-rd order) -WCORR4= 0.428870 (multi-body 4th order) -WCORR5= 0.000000 (multi-body 5th order) -WCORR6= 0.000000 (multi-body 6th order) -WSCCOR= 0.000000 (back-scloc correlation) -WTURN3= 1.687220 (turns, 3rd order) -WTURN4= 0.662300 (turns, 4th order) -WTURN6= 0.000000 (turns, 6th order) -WDFA_D= 0.000000 (DFA, distance) -WDFA_T= 0.000000 (DFA, torsional) -WDFA_N= 0.000000 (DFA, number of neighbor) -WDFA_B= 0.000000 (DFA, beta formation) - -Hydrogen-bonding correlation between contact pairs of peptide groups - -Scaling factor of 1,4 SC-p interactions: 0.400 -General scaling factor of SC-p interactions: 1.000 - -Energy-term weights (scaled): - -WSCC= 1.352790 (SC-SC) -WSCP= 1.593040 (SC-p) -WELEC= 0.715340 (p-p electr) -WVDWPP= 0.113710 (p-p VDW) -WBOND= 1.000000 (stretching) -WANG= 1.138730 (bending) -WSCLOC= 0.162580 (SC local) -WTOR= 1.985990 (torsional) -WTORD= 1.570690 (double torsional) -WSTRAIN= 1.000000 (SS bridges & dist. cnstr.) -WEL_LOC= 0.160360 (multi-body 3-rd order) -WCORR4= 0.428870 (multi-body 4th order) -WCORR5= 0.000000 (multi-body 5th order) -WCORR6= 0.000000 (multi-body 6th order) -WSCCOR= 0.000000 (back-scloc correlatkion) -WTURN3= 1.687220 (turns, 3rd order) -WTURN4= 0.662300 (turns, 4th order) -WTURN6= 0.000000 (turns, 6th order) -WDFA_D= 0.000000 (DFA, distance) -WDFA_T= 0.000000 (DFA, torsional) -WDFA_N= 0.000000 (DFA, number of neighbor) -WDFA_B= 0.000000 (DFA, beta formation) - Reference temperature for weights calculation: 300.000000000000 - Parameters of the SS-bond potential: - D0CM 3.78000000000000 AKCM 15.1000000000000 AKTH - 11.0000000000000 AKCT 12.0000000000000 - V1SS -1.08000000000000 V2SS 7.61000000000000 V3SS - 13.7000000000000 - EBR -5.50000000000000 - ITEL - 1 21 0 - 2 14 1 - 3 5 1 - 4 8 1 - 5 4 1 - 6 13 1 - 7 7 1 - 8 5 1 - 9 19 1 - 10 16 1 - 11 10 1 - 12 10 2 - 13 20 1 - 14 12 1 - 15 12 1 - 16 10 1 - 17 18 2 - 18 20 2 - 19 20 2 - 20 20 1 - 21 12 0 - ns= 0 iss: - NZ_START= 2 NZ_END= 21 - IZ_SC= 0 - -Geometry of the virtual chain. - Res d Theta Gamma Dsc Alpha Beta -D 1 0.000 0.000 0.000 0.000 0.000 0.000 -ASN 2 3.800 0.000 0.000 1.684 0.000 0.000 -LEU 3 3.800 0.000 0.000 1.939 0.000 0.000 -TYR 4 3.800 0.000 0.000 2.484 0.000 0.000 -ILE 5 3.800 0.000 0.000 1.776 0.000 0.000 -GLN 6 3.800 0.000 0.000 2.240 0.000 0.000 -TRP 7 3.800 0.000 0.000 2.605 0.000 0.000 -LEU 8 3.800 0.000 0.000 1.939 0.000 0.000 -LYS 9 3.800 0.000 0.000 2.541 0.000 0.000 -ASP 10 3.800 0.000 0.000 1.709 0.000 0.000 -GLY 11 3.800 0.000 0.000 0.000 0.000 0.000 -GLY 12 3.800 0.000 0.000 0.000 0.000 0.000 -PRO 13 3.800 0.000 0.000 1.345 0.000 0.000 -SER 14 3.800 0.000 0.000 1.150 0.000 0.000 -SER 15 3.800 0.000 0.000 1.150 0.000 0.000 -GLY 16 3.800 0.000 0.000 0.000 0.000 0.000 -ARG 17 3.800 0.000 0.000 3.020 0.000 0.000 -PRO 18 3.800 0.000 0.000 1.345 0.000 0.000 -PRO 19 3.800 0.000 0.000 1.345 0.000 0.000 -PRO 20 3.800 0.000 0.000 1.345 0.000 0.000 -SER 21 3.800 0.000 0.000 1.150 0.000 0.000 -D 22 3.800 0.000 0.000 0.000 0.000 0.000 - - -******************************************************************************** - Processor 23: end reading molecular data. -******************************************************************************** - - -CSA calculations calculation. - -Conformations will be energy-minimized. -******************************************************************************** - -Waiting for 0.1250 sec -Waiting for 0.2422 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec - Finishing minim_jlee - signal 0 from master -Waiting for 0.0000 sec -Waiting for 0.1523 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0508 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.5391 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.8281 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0703 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.9766 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0547 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.2656 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.4766 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0703 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.3398 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.4258 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0273 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.4961 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 1.4609 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.2656 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.4961 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.4805 sec -Waiting for 0.0430 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.2695 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.7539 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.3633 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.4062 sec -Waiting for 0.0078 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.3281 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 1.0625 sec -Waiting for 0.0039 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.2930 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.5898 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.3086 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0078 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.3438 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.3398 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.3281 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0117 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.3008 sec -Waiting for 0.0078 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.2930 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.5078 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.3398 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.3359 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.3438 sec -Waiting for 0.0156 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.5195 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0078 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.3516 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.2148 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.3008 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.2773 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.3203 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.2930 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.3555 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.2695 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.3555 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.3945 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.2500 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0391 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.3242 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.5703 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.4219 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.5586 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.3594 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.3555 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.3828 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.4102 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.2852 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0078 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.3594 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.3164 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.2891 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.3320 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.3164 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.3789 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.3555 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.3438 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0078 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.2969 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.7500 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.3203 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.9062 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.2891 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.3477 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.3438 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.3320 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.6055 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.4688 sec -Waiting for 0.0000 sec -Waiting for 0.0781 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.4492 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.8555 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.3008 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.5039 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.3828 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0234 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.3398 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.4570 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.3867 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0078 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.2969 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.5469 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.2852 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.3516 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.3867 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec 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0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.3320 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0195 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.3203 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.3164 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.3555 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.3516 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.3203 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.3242 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.3906 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.3438 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.3047 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.3828 sec - Finishing minim_jlee - signal 0 from master - End of minim, proc 23 time 191.359375000000 -CG processor 23 is finishing work. - Total wall clock time 198.628906250000 sec diff --git a/examples/unres/CSA/GAB/CSA/1l2y_csa.out_GB024 b/examples/unres/CSA/GAB/CSA/1l2y_csa.out_GB024 deleted file mode 100644 index 67b374e..0000000 --- a/examples/unres/CSA/GAB/CSA/1l2y_csa.out_GB024 +++ /dev/null @@ -1,1163 +0,0 @@ -******************************************************************************** -United-residue force field calculation - parallel job. -******************************************************************************** - MPI: node= 24 iseed= -76493574 - ran_num 0.843808017800105 -RMSDBC = 3.0 -RMSDBC1 = 0.5 -RMSDBC1MAX = 1.5 -DRMS = 0.1 -RMSDBCM = 3.0 -Time limit (min): 960.0 - RESCALE_MODE 0 -Library routine used to diagonalize matrices. - -******************************************************************************** - Options in energy minimization: -******************************************************************************** -MaxMin: 3000 MaxFun: 1000MinMin: 3000 MinFun: 3000 TolF: 1.00000E-02 RTolF: 1.00000E-04 - NCONF_IN 0 - -Energy-term weights (unscaled): - -WSCC= 1.352790 (SC-SC) -WSCP= 1.593040 (SC-p) -WELEC= 0.715340 (p-p electr) -WVDWPP= 0.113710 (p-p VDW) -WBOND= 1.000000 (stretching) -WANG= 1.138730 (bending) -WSCLOC= 0.162580 (SC local) -WTOR= 1.985990 (torsional) -WTORD= 1.570690 (double torsional) -WSTRAIN= 1.000000 (SS bridges & dist. cnstr.) -WEL_LOC= 0.160360 (multi-body 3-rd order) -WCORR4= 0.428870 (multi-body 4th order) -WCORR5= 0.000000 (multi-body 5th order) -WCORR6= 0.000000 (multi-body 6th order) -WSCCOR= 0.000000 (back-scloc correlation) -WTURN3= 1.687220 (turns, 3rd order) -WTURN4= 0.662300 (turns, 4th order) -WTURN6= 0.000000 (turns, 6th order) -WDFA_D= 0.000000 (DFA, distance) -WDFA_T= 0.000000 (DFA, torsional) -WDFA_N= 0.000000 (DFA, number of neighbor) -WDFA_B= 0.000000 (DFA, beta formation) - -Hydrogen-bonding correlation between contact pairs of peptide groups - -Scaling factor of 1,4 SC-p interactions: 0.400 -General scaling factor of SC-p interactions: 1.000 - -Energy-term weights (scaled): - -WSCC= 1.352790 (SC-SC) -WSCP= 1.593040 (SC-p) -WELEC= 0.715340 (p-p electr) -WVDWPP= 0.113710 (p-p VDW) -WBOND= 1.000000 (stretching) -WANG= 1.138730 (bending) -WSCLOC= 0.162580 (SC local) -WTOR= 1.985990 (torsional) -WTORD= 1.570690 (double torsional) -WSTRAIN= 1.000000 (SS bridges & dist. cnstr.) -WEL_LOC= 0.160360 (multi-body 3-rd order) -WCORR4= 0.428870 (multi-body 4th order) -WCORR5= 0.000000 (multi-body 5th order) -WCORR6= 0.000000 (multi-body 6th order) -WSCCOR= 0.000000 (back-scloc correlatkion) -WTURN3= 1.687220 (turns, 3rd order) -WTURN4= 0.662300 (turns, 4th order) -WTURN6= 0.000000 (turns, 6th order) -WDFA_D= 0.000000 (DFA, distance) -WDFA_T= 0.000000 (DFA, torsional) -WDFA_N= 0.000000 (DFA, number of neighbor) -WDFA_B= 0.000000 (DFA, beta formation) - Reference temperature for weights calculation: 300.000000000000 - Parameters of the SS-bond potential: - D0CM 3.78000000000000 AKCM 15.1000000000000 AKTH - 11.0000000000000 AKCT 12.0000000000000 - V1SS -1.08000000000000 V2SS 7.61000000000000 V3SS - 13.7000000000000 - EBR -5.50000000000000 - ITEL - 1 21 0 - 2 14 1 - 3 5 1 - 4 8 1 - 5 4 1 - 6 13 1 - 7 7 1 - 8 5 1 - 9 19 1 - 10 16 1 - 11 10 1 - 12 10 2 - 13 20 1 - 14 12 1 - 15 12 1 - 16 10 1 - 17 18 2 - 18 20 2 - 19 20 2 - 20 20 1 - 21 12 0 - ns= 0 iss: - NZ_START= 2 NZ_END= 21 - IZ_SC= 0 - -Geometry of the virtual chain. - Res d Theta Gamma Dsc Alpha Beta -D 1 0.000 0.000 0.000 0.000 0.000 0.000 -ASN 2 3.800 0.000 0.000 1.684 0.000 0.000 -LEU 3 3.800 0.000 0.000 1.939 0.000 0.000 -TYR 4 3.800 0.000 0.000 2.484 0.000 0.000 -ILE 5 3.800 0.000 0.000 1.776 0.000 0.000 -GLN 6 3.800 0.000 0.000 2.240 0.000 0.000 -TRP 7 3.800 0.000 0.000 2.605 0.000 0.000 -LEU 8 3.800 0.000 0.000 1.939 0.000 0.000 -LYS 9 3.800 0.000 0.000 2.541 0.000 0.000 -ASP 10 3.800 0.000 0.000 1.709 0.000 0.000 -GLY 11 3.800 0.000 0.000 0.000 0.000 0.000 -GLY 12 3.800 0.000 0.000 0.000 0.000 0.000 -PRO 13 3.800 0.000 0.000 1.345 0.000 0.000 -SER 14 3.800 0.000 0.000 1.150 0.000 0.000 -SER 15 3.800 0.000 0.000 1.150 0.000 0.000 -GLY 16 3.800 0.000 0.000 0.000 0.000 0.000 -ARG 17 3.800 0.000 0.000 3.020 0.000 0.000 -PRO 18 3.800 0.000 0.000 1.345 0.000 0.000 -PRO 19 3.800 0.000 0.000 1.345 0.000 0.000 -PRO 20 3.800 0.000 0.000 1.345 0.000 0.000 -SER 21 3.800 0.000 0.000 1.150 0.000 0.000 -D 22 3.800 0.000 0.000 0.000 0.000 0.000 - - -******************************************************************************** - Processor 24: end reading molecular data. -******************************************************************************** - - -CSA calculations calculation. - -Conformations will be energy-minimized. -******************************************************************************** - -Waiting for 0.1367 sec -Waiting for 0.1172 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec - Finishing minim_jlee - signal 0 from master -Waiting for 0.6016 sec -Waiting for 0.0195 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.5781 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0039 sec -Waiting for 0.5039 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.8633 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.1562 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.9648 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0078 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.3125 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.4922 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0039 sec -Waiting for 0.2773 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.4023 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0508 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.4883 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 1.3164 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.2617 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0117 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.4609 sec -Waiting for 0.0508 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.3477 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.2422 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.6992 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.3477 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.2500 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.2734 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec 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0.0000 sec -Waiting for 0.2852 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.3359 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.3086 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.3125 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.2070 sec 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0.0000 sec -Waiting for 0.2383 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.4102 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.2812 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.2539 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.3164 sec -Waiting for 0.0156 sec 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0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.3320 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.3984 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.2969 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.2852 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.4414 sec - Finishing minim_jlee - signal 0 from master - End of minim, proc 24 time 194.417968750000 -CG processor 24 is finishing work. - Total wall clock time 198.628906250000 sec diff --git a/examples/unres/CSA/GAB/CSA/1l2y_csa.out_GB025 b/examples/unres/CSA/GAB/CSA/1l2y_csa.out_GB025 deleted file mode 100644 index 11f4e68..0000000 --- a/examples/unres/CSA/GAB/CSA/1l2y_csa.out_GB025 +++ /dev/null @@ -1,1166 +0,0 @@ -******************************************************************************** -United-residue force field calculation - parallel job. -******************************************************************************** - MPI: node= 25 iseed= -79553317 - ran_num 0.117560263652884 -RMSDBC = 3.0 -RMSDBC1 = 0.5 -RMSDBC1MAX = 1.5 -DRMS = 0.1 -RMSDBCM = 3.0 -Time limit (min): 960.0 - RESCALE_MODE 0 -Library routine used to diagonalize matrices. - -******************************************************************************** - Options in energy minimization: -******************************************************************************** -MaxMin: 3000 MaxFun: 1000MinMin: 3000 MinFun: 3000 TolF: 1.00000E-02 RTolF: 1.00000E-04 - NCONF_IN 0 - -Energy-term weights (unscaled): - -WSCC= 1.352790 (SC-SC) -WSCP= 1.593040 (SC-p) -WELEC= 0.715340 (p-p electr) -WVDWPP= 0.113710 (p-p VDW) -WBOND= 1.000000 (stretching) -WANG= 1.138730 (bending) -WSCLOC= 0.162580 (SC local) -WTOR= 1.985990 (torsional) -WTORD= 1.570690 (double torsional) -WSTRAIN= 1.000000 (SS bridges & dist. cnstr.) -WEL_LOC= 0.160360 (multi-body 3-rd order) -WCORR4= 0.428870 (multi-body 4th order) -WCORR5= 0.000000 (multi-body 5th order) -WCORR6= 0.000000 (multi-body 6th order) -WSCCOR= 0.000000 (back-scloc correlation) -WTURN3= 1.687220 (turns, 3rd order) -WTURN4= 0.662300 (turns, 4th order) -WTURN6= 0.000000 (turns, 6th order) -WDFA_D= 0.000000 (DFA, distance) -WDFA_T= 0.000000 (DFA, torsional) -WDFA_N= 0.000000 (DFA, number of neighbor) -WDFA_B= 0.000000 (DFA, beta formation) - -Hydrogen-bonding correlation between contact pairs of peptide groups - -Scaling factor of 1,4 SC-p interactions: 0.400 -General scaling factor of SC-p interactions: 1.000 - -Energy-term weights (scaled): - -WSCC= 1.352790 (SC-SC) -WSCP= 1.593040 (SC-p) -WELEC= 0.715340 (p-p electr) -WVDWPP= 0.113710 (p-p VDW) -WBOND= 1.000000 (stretching) -WANG= 1.138730 (bending) -WSCLOC= 0.162580 (SC local) -WTOR= 1.985990 (torsional) -WTORD= 1.570690 (double torsional) -WSTRAIN= 1.000000 (SS bridges & dist. cnstr.) -WEL_LOC= 0.160360 (multi-body 3-rd order) -WCORR4= 0.428870 (multi-body 4th order) -WCORR5= 0.000000 (multi-body 5th order) -WCORR6= 0.000000 (multi-body 6th order) -WSCCOR= 0.000000 (back-scloc correlatkion) -WTURN3= 1.687220 (turns, 3rd order) -WTURN4= 0.662300 (turns, 4th order) -WTURN6= 0.000000 (turns, 6th order) -WDFA_D= 0.000000 (DFA, distance) -WDFA_T= 0.000000 (DFA, torsional) -WDFA_N= 0.000000 (DFA, number of neighbor) -WDFA_B= 0.000000 (DFA, beta formation) - Reference temperature for weights calculation: 300.000000000000 - Parameters of the SS-bond potential: - D0CM 3.78000000000000 AKCM 15.1000000000000 AKTH - 11.0000000000000 AKCT 12.0000000000000 - V1SS -1.08000000000000 V2SS 7.61000000000000 V3SS - 13.7000000000000 - EBR -5.50000000000000 - ITEL - 1 21 0 - 2 14 1 - 3 5 1 - 4 8 1 - 5 4 1 - 6 13 1 - 7 7 1 - 8 5 1 - 9 19 1 - 10 16 1 - 11 10 1 - 12 10 2 - 13 20 1 - 14 12 1 - 15 12 1 - 16 10 1 - 17 18 2 - 18 20 2 - 19 20 2 - 20 20 1 - 21 12 0 - ns= 0 iss: - NZ_START= 2 NZ_END= 21 - IZ_SC= 0 - -Geometry of the virtual chain. - Res d Theta Gamma Dsc Alpha Beta -D 1 0.000 0.000 0.000 0.000 0.000 0.000 -ASN 2 3.800 0.000 0.000 1.684 0.000 0.000 -LEU 3 3.800 0.000 0.000 1.939 0.000 0.000 -TYR 4 3.800 0.000 0.000 2.484 0.000 0.000 -ILE 5 3.800 0.000 0.000 1.776 0.000 0.000 -GLN 6 3.800 0.000 0.000 2.240 0.000 0.000 -TRP 7 3.800 0.000 0.000 2.605 0.000 0.000 -LEU 8 3.800 0.000 0.000 1.939 0.000 0.000 -LYS 9 3.800 0.000 0.000 2.541 0.000 0.000 -ASP 10 3.800 0.000 0.000 1.709 0.000 0.000 -GLY 11 3.800 0.000 0.000 0.000 0.000 0.000 -GLY 12 3.800 0.000 0.000 0.000 0.000 0.000 -PRO 13 3.800 0.000 0.000 1.345 0.000 0.000 -SER 14 3.800 0.000 0.000 1.150 0.000 0.000 -SER 15 3.800 0.000 0.000 1.150 0.000 0.000 -GLY 16 3.800 0.000 0.000 0.000 0.000 0.000 -ARG 17 3.800 0.000 0.000 3.020 0.000 0.000 -PRO 18 3.800 0.000 0.000 1.345 0.000 0.000 -PRO 19 3.800 0.000 0.000 1.345 0.000 0.000 -PRO 20 3.800 0.000 0.000 1.345 0.000 0.000 -SER 21 3.800 0.000 0.000 1.150 0.000 0.000 -D 22 3.800 0.000 0.000 0.000 0.000 0.000 - - -******************************************************************************** - Processor 25: end reading molecular data. -******************************************************************************** - - -CSA calculations calculation. - -Conformations will be energy-minimized. -******************************************************************************** - -Waiting for 0.1445 sec -Waiting for 0.0586 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec - Finishing minim_jlee - signal 0 from master -Waiting for 0.6094 sec -Waiting for 0.0352 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.6055 sec -Waiting for 0.0898 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.4727 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.8125 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0820 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.9961 sec -Waiting for 0.0000 sec -Waiting for 0.0547 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.2305 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.4609 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0703 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.2773 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0352 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.3438 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.3945 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 1.4297 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.2773 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.3867 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.4023 sec -Waiting for 0.0703 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.2969 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.7344 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.3281 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.2930 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.2617 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 1.0430 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.1836 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0195 sec -Waiting for 0.0000 sec -Waiting for 0.6094 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.2070 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.2539 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.2852 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.3203 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.3164 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.3398 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.5078 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.1992 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.3164 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.3828 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.4883 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.3008 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.3086 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.1406 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.2969 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.3047 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.2383 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.2539 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.3281 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.1328 sec -Waiting for 0.0078 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.3672 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.2344 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.2656 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.5938 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.4727 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.5469 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.3008 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.3789 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.3594 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.2383 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.2695 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.3711 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.3047 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.2930 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.3477 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.3555 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.3789 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.2070 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.1992 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.3594 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.6445 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.3789 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.9023 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.2305 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.3828 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.3594 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.2812 sec -Waiting for 0.0000 sec -Waiting for 0.5820 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.4414 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.3867 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.8672 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.3125 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.4531 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.3789 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.2812 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.2422 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.3047 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.1992 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.5391 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.1797 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.3164 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.3477 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.3125 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.3164 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.2305 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.2500 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.1914 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.4844 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.4062 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.4023 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.2656 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.2930 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0469 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.2227 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.2891 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.1953 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.4609 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.2891 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.2969 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.3711 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.3594 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.2500 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.4180 sec - Finishing minim_jlee - signal 0 from master - End of minim, proc 25 time 194.414062500000 -CG processor 25 is finishing work. - Total wall clock time 198.628906250000 sec diff --git a/examples/unres/CSA/GAB/CSA/1l2y_csa.out_GB026 b/examples/unres/CSA/GAB/CSA/1l2y_csa.out_GB026 deleted file mode 100644 index 1a2b67e..0000000 --- a/examples/unres/CSA/GAB/CSA/1l2y_csa.out_GB026 +++ /dev/null @@ -1,1176 +0,0 @@ -******************************************************************************** -United-residue force field calculation - parallel job. -******************************************************************************** - MPI: node= 26 iseed= -82613060 - ran_num 0.391312509505663 -RMSDBC = 3.0 -RMSDBC1 = 0.5 -RMSDBC1MAX = 1.5 -DRMS = 0.1 -RMSDBCM = 3.0 -Time limit (min): 960.0 - RESCALE_MODE 0 -Library routine used to diagonalize matrices. - -******************************************************************************** - Options in energy minimization: -******************************************************************************** -MaxMin: 3000 MaxFun: 1000MinMin: 3000 MinFun: 3000 TolF: 1.00000E-02 RTolF: 1.00000E-04 - NCONF_IN 0 - -Energy-term weights (unscaled): - -WSCC= 1.352790 (SC-SC) -WSCP= 1.593040 (SC-p) -WELEC= 0.715340 (p-p electr) -WVDWPP= 0.113710 (p-p VDW) -WBOND= 1.000000 (stretching) -WANG= 1.138730 (bending) -WSCLOC= 0.162580 (SC local) -WTOR= 1.985990 (torsional) -WTORD= 1.570690 (double torsional) -WSTRAIN= 1.000000 (SS bridges & dist. cnstr.) -WEL_LOC= 0.160360 (multi-body 3-rd order) -WCORR4= 0.428870 (multi-body 4th order) -WCORR5= 0.000000 (multi-body 5th order) -WCORR6= 0.000000 (multi-body 6th order) -WSCCOR= 0.000000 (back-scloc correlation) -WTURN3= 1.687220 (turns, 3rd order) -WTURN4= 0.662300 (turns, 4th order) -WTURN6= 0.000000 (turns, 6th order) -WDFA_D= 0.000000 (DFA, distance) -WDFA_T= 0.000000 (DFA, torsional) -WDFA_N= 0.000000 (DFA, number of neighbor) -WDFA_B= 0.000000 (DFA, beta formation) - -Hydrogen-bonding correlation between contact pairs of peptide groups - -Scaling factor of 1,4 SC-p interactions: 0.400 -General scaling factor of SC-p interactions: 1.000 - -Energy-term weights (scaled): - -WSCC= 1.352790 (SC-SC) -WSCP= 1.593040 (SC-p) -WELEC= 0.715340 (p-p electr) -WVDWPP= 0.113710 (p-p VDW) -WBOND= 1.000000 (stretching) -WANG= 1.138730 (bending) -WSCLOC= 0.162580 (SC local) -WTOR= 1.985990 (torsional) -WTORD= 1.570690 (double torsional) -WSTRAIN= 1.000000 (SS bridges & dist. cnstr.) -WEL_LOC= 0.160360 (multi-body 3-rd order) -WCORR4= 0.428870 (multi-body 4th order) -WCORR5= 0.000000 (multi-body 5th order) -WCORR6= 0.000000 (multi-body 6th order) -WSCCOR= 0.000000 (back-scloc correlatkion) -WTURN3= 1.687220 (turns, 3rd order) -WTURN4= 0.662300 (turns, 4th order) -WTURN6= 0.000000 (turns, 6th order) -WDFA_D= 0.000000 (DFA, distance) -WDFA_T= 0.000000 (DFA, torsional) -WDFA_N= 0.000000 (DFA, number of neighbor) -WDFA_B= 0.000000 (DFA, beta formation) - Reference temperature for weights calculation: 300.000000000000 - Parameters of the SS-bond potential: - D0CM 3.78000000000000 AKCM 15.1000000000000 AKTH - 11.0000000000000 AKCT 12.0000000000000 - V1SS -1.08000000000000 V2SS 7.61000000000000 V3SS - 13.7000000000000 - EBR -5.50000000000000 - ITEL - 1 21 0 - 2 14 1 - 3 5 1 - 4 8 1 - 5 4 1 - 6 13 1 - 7 7 1 - 8 5 1 - 9 19 1 - 10 16 1 - 11 10 1 - 12 10 2 - 13 20 1 - 14 12 1 - 15 12 1 - 16 10 1 - 17 18 2 - 18 20 2 - 19 20 2 - 20 20 1 - 21 12 0 - ns= 0 iss: - NZ_START= 2 NZ_END= 21 - IZ_SC= 0 - -Geometry of the virtual chain. - Res d Theta Gamma Dsc Alpha Beta -D 1 0.000 0.000 0.000 0.000 0.000 0.000 -ASN 2 3.800 0.000 0.000 1.684 0.000 0.000 -LEU 3 3.800 0.000 0.000 1.939 0.000 0.000 -TYR 4 3.800 0.000 0.000 2.484 0.000 0.000 -ILE 5 3.800 0.000 0.000 1.776 0.000 0.000 -GLN 6 3.800 0.000 0.000 2.240 0.000 0.000 -TRP 7 3.800 0.000 0.000 2.605 0.000 0.000 -LEU 8 3.800 0.000 0.000 1.939 0.000 0.000 -LYS 9 3.800 0.000 0.000 2.541 0.000 0.000 -ASP 10 3.800 0.000 0.000 1.709 0.000 0.000 -GLY 11 3.800 0.000 0.000 0.000 0.000 0.000 -GLY 12 3.800 0.000 0.000 0.000 0.000 0.000 -PRO 13 3.800 0.000 0.000 1.345 0.000 0.000 -SER 14 3.800 0.000 0.000 1.150 0.000 0.000 -SER 15 3.800 0.000 0.000 1.150 0.000 0.000 -GLY 16 3.800 0.000 0.000 0.000 0.000 0.000 -ARG 17 3.800 0.000 0.000 3.020 0.000 0.000 -PRO 18 3.800 0.000 0.000 1.345 0.000 0.000 -PRO 19 3.800 0.000 0.000 1.345 0.000 0.000 -PRO 20 3.800 0.000 0.000 1.345 0.000 0.000 -SER 21 3.800 0.000 0.000 1.150 0.000 0.000 -D 22 3.800 0.000 0.000 0.000 0.000 0.000 - - -******************************************************************************** - Processor 26: end reading molecular data. -******************************************************************************** - - -CSA calculations calculation. - -Conformations will be energy-minimized. -******************************************************************************** - -Waiting for 0.1445 sec -Waiting for 0.0547 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec - Finishing minim_jlee - signal 0 from master -Waiting for 0.6250 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.5859 sec -Waiting for 0.1367 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.4219 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0039 sec -Waiting for 0.7969 sec -Waiting for 0.0000 sec -Waiting for 0.0078 sec -Waiting for 0.0977 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.9648 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.2656 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.3906 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0039 sec -Waiting for 0.3047 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0234 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.3008 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.4219 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 1.3516 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.3008 sec -Waiting for 0.0000 sec -Waiting for 0.0195 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.3828 sec -Waiting for 0.0508 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.4766 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.1523 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.7539 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.3672 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.4336 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.3008 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 1.0352 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.2539 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.5352 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.2852 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.3008 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.2969 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.2969 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.3008 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.3555 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0234 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec 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0.2227 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.3398 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.3281 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.1562 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0195 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec 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0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.3477 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.3477 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.2383 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.2695 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.2695 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.2539 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.3359 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.3359 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 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0.0000 sec -Waiting for 0.3906 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.3242 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.3320 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.3203 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.2539 sec -Waiting for 0.0000 sec -Waiting for 0.0078 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.3359 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.2578 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.3867 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.1953 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.1523 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.3125 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.2852 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.1445 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.4609 sec - Finishing minim_jlee - signal 0 from master - End of minim, proc 26 time 194.414062500000 -CG processor 26 is finishing work. - Total wall clock time 198.640625000000 sec diff --git a/examples/unres/CSA/GAB/CSA/1l2y_csa.out_GB027 b/examples/unres/CSA/GAB/CSA/1l2y_csa.out_GB027 deleted file mode 100644 index fe2b72c..0000000 --- a/examples/unres/CSA/GAB/CSA/1l2y_csa.out_GB027 +++ /dev/null @@ -1,1153 +0,0 @@ -******************************************************************************** -United-residue force field calculation - parallel job. -******************************************************************************** - MPI: node= 27 iseed= -85672803 - ran_num 0.665064755358443 -RMSDBC = 3.0 -RMSDBC1 = 0.5 -RMSDBC1MAX = 1.5 -DRMS = 0.1 -RMSDBCM = 3.0 -Time limit (min): 960.0 - RESCALE_MODE 0 -Library routine used to diagonalize matrices. - -******************************************************************************** - Options in energy minimization: -******************************************************************************** -MaxMin: 3000 MaxFun: 1000MinMin: 3000 MinFun: 3000 TolF: 1.00000E-02 RTolF: 1.00000E-04 - NCONF_IN 0 - -Energy-term weights (unscaled): - -WSCC= 1.352790 (SC-SC) -WSCP= 1.593040 (SC-p) -WELEC= 0.715340 (p-p electr) -WVDWPP= 0.113710 (p-p VDW) -WBOND= 1.000000 (stretching) -WANG= 1.138730 (bending) -WSCLOC= 0.162580 (SC local) -WTOR= 1.985990 (torsional) -WTORD= 1.570690 (double torsional) -WSTRAIN= 1.000000 (SS bridges & dist. cnstr.) -WEL_LOC= 0.160360 (multi-body 3-rd order) -WCORR4= 0.428870 (multi-body 4th order) -WCORR5= 0.000000 (multi-body 5th order) -WCORR6= 0.000000 (multi-body 6th order) -WSCCOR= 0.000000 (back-scloc correlation) -WTURN3= 1.687220 (turns, 3rd order) -WTURN4= 0.662300 (turns, 4th order) -WTURN6= 0.000000 (turns, 6th order) -WDFA_D= 0.000000 (DFA, distance) -WDFA_T= 0.000000 (DFA, torsional) -WDFA_N= 0.000000 (DFA, number of neighbor) -WDFA_B= 0.000000 (DFA, beta formation) - -Hydrogen-bonding correlation between contact pairs of peptide groups - -Scaling factor of 1,4 SC-p interactions: 0.400 -General scaling factor of SC-p interactions: 1.000 - -Energy-term weights (scaled): - -WSCC= 1.352790 (SC-SC) -WSCP= 1.593040 (SC-p) -WELEC= 0.715340 (p-p electr) -WVDWPP= 0.113710 (p-p VDW) -WBOND= 1.000000 (stretching) -WANG= 1.138730 (bending) -WSCLOC= 0.162580 (SC local) -WTOR= 1.985990 (torsional) -WTORD= 1.570690 (double torsional) -WSTRAIN= 1.000000 (SS bridges & dist. cnstr.) -WEL_LOC= 0.160360 (multi-body 3-rd order) -WCORR4= 0.428870 (multi-body 4th order) -WCORR5= 0.000000 (multi-body 5th order) -WCORR6= 0.000000 (multi-body 6th order) -WSCCOR= 0.000000 (back-scloc correlatkion) -WTURN3= 1.687220 (turns, 3rd order) -WTURN4= 0.662300 (turns, 4th order) -WTURN6= 0.000000 (turns, 6th order) -WDFA_D= 0.000000 (DFA, distance) -WDFA_T= 0.000000 (DFA, torsional) -WDFA_N= 0.000000 (DFA, number of neighbor) -WDFA_B= 0.000000 (DFA, beta formation) - Reference temperature for weights calculation: 300.000000000000 - Parameters of the SS-bond potential: - D0CM 3.78000000000000 AKCM 15.1000000000000 AKTH - 11.0000000000000 AKCT 12.0000000000000 - V1SS -1.08000000000000 V2SS 7.61000000000000 V3SS - 13.7000000000000 - EBR -5.50000000000000 - ITEL - 1 21 0 - 2 14 1 - 3 5 1 - 4 8 1 - 5 4 1 - 6 13 1 - 7 7 1 - 8 5 1 - 9 19 1 - 10 16 1 - 11 10 1 - 12 10 2 - 13 20 1 - 14 12 1 - 15 12 1 - 16 10 1 - 17 18 2 - 18 20 2 - 19 20 2 - 20 20 1 - 21 12 0 - ns= 0 iss: - NZ_START= 2 NZ_END= 21 - IZ_SC= 0 - -Geometry of the virtual chain. - Res d Theta Gamma Dsc Alpha Beta -D 1 0.000 0.000 0.000 0.000 0.000 0.000 -ASN 2 3.800 0.000 0.000 1.684 0.000 0.000 -LEU 3 3.800 0.000 0.000 1.939 0.000 0.000 -TYR 4 3.800 0.000 0.000 2.484 0.000 0.000 -ILE 5 3.800 0.000 0.000 1.776 0.000 0.000 -GLN 6 3.800 0.000 0.000 2.240 0.000 0.000 -TRP 7 3.800 0.000 0.000 2.605 0.000 0.000 -LEU 8 3.800 0.000 0.000 1.939 0.000 0.000 -LYS 9 3.800 0.000 0.000 2.541 0.000 0.000 -ASP 10 3.800 0.000 0.000 1.709 0.000 0.000 -GLY 11 3.800 0.000 0.000 0.000 0.000 0.000 -GLY 12 3.800 0.000 0.000 0.000 0.000 0.000 -PRO 13 3.800 0.000 0.000 1.345 0.000 0.000 -SER 14 3.800 0.000 0.000 1.150 0.000 0.000 -SER 15 3.800 0.000 0.000 1.150 0.000 0.000 -GLY 16 3.800 0.000 0.000 0.000 0.000 0.000 -ARG 17 3.800 0.000 0.000 3.020 0.000 0.000 -PRO 18 3.800 0.000 0.000 1.345 0.000 0.000 -PRO 19 3.800 0.000 0.000 1.345 0.000 0.000 -PRO 20 3.800 0.000 0.000 1.345 0.000 0.000 -SER 21 3.800 0.000 0.000 1.150 0.000 0.000 -D 22 3.800 0.000 0.000 0.000 0.000 0.000 - - -******************************************************************************** - Processor 27: end reading molecular data. -******************************************************************************** - - -CSA calculations calculation. - -Conformations will be energy-minimized. -******************************************************************************** - -Waiting for 0.1328 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec - Finishing minim_jlee - signal 0 from master -Waiting for 0.6016 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.6250 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0430 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.4805 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.8359 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 1.0234 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.3359 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.4258 sec -Waiting for 0.0000 sec -Waiting for 0.0469 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.1953 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0117 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.3320 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0352 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.4805 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 1.3867 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.2578 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.4766 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.3945 sec -Waiting for 0.1484 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.2969 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.7188 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.1914 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.4297 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.2695 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 1.0352 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.2188 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.5938 sec -Waiting for 0.0039 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.3047 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.3047 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.2852 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec 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0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.2891 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.2734 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.3477 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.5000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0078 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec 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0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.2656 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.3594 sec -Waiting for 0.0039 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.2812 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.2070 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec 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0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.2266 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.2891 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.4102 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.1680 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.2227 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.1367 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.3281 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.1523 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.4727 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.4062 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.4336 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.2891 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.3125 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.3125 sec -Waiting for 0.0195 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.3203 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.3281 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.4180 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.3438 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.2539 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.3711 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.3516 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.2109 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.4609 sec - Finishing minim_jlee - signal 0 from master - End of minim, proc 27 time 194.414062500000 -CG processor 27 is finishing work. - Total wall clock time 198.640625000000 sec diff --git a/examples/unres/CSA/GAB/CSA/1l2y_csa.out_GB028 b/examples/unres/CSA/GAB/CSA/1l2y_csa.out_GB028 deleted file mode 100644 index b750dd2..0000000 --- a/examples/unres/CSA/GAB/CSA/1l2y_csa.out_GB028 +++ /dev/null @@ -1,1215 +0,0 @@ -******************************************************************************** -United-residue force field calculation - parallel job. -******************************************************************************** - MPI: node= 28 iseed= -88732546 - ran_num 0.938817001211222 -RMSDBC = 3.0 -RMSDBC1 = 0.5 -RMSDBC1MAX = 1.5 -DRMS = 0.1 -RMSDBCM = 3.0 -Time limit (min): 960.0 - RESCALE_MODE 0 -Library routine used to diagonalize matrices. - -******************************************************************************** - Options in energy minimization: -******************************************************************************** -MaxMin: 3000 MaxFun: 1000MinMin: 3000 MinFun: 3000 TolF: 1.00000E-02 RTolF: 1.00000E-04 - NCONF_IN 0 - -Energy-term weights (unscaled): - -WSCC= 1.352790 (SC-SC) -WSCP= 1.593040 (SC-p) -WELEC= 0.715340 (p-p electr) -WVDWPP= 0.113710 (p-p VDW) -WBOND= 1.000000 (stretching) -WANG= 1.138730 (bending) -WSCLOC= 0.162580 (SC local) -WTOR= 1.985990 (torsional) -WTORD= 1.570690 (double torsional) -WSTRAIN= 1.000000 (SS bridges & dist. cnstr.) -WEL_LOC= 0.160360 (multi-body 3-rd order) -WCORR4= 0.428870 (multi-body 4th order) -WCORR5= 0.000000 (multi-body 5th order) -WCORR6= 0.000000 (multi-body 6th order) -WSCCOR= 0.000000 (back-scloc correlation) -WTURN3= 1.687220 (turns, 3rd order) -WTURN4= 0.662300 (turns, 4th order) -WTURN6= 0.000000 (turns, 6th order) -WDFA_D= 0.000000 (DFA, distance) -WDFA_T= 0.000000 (DFA, torsional) -WDFA_N= 0.000000 (DFA, number of neighbor) -WDFA_B= 0.000000 (DFA, beta formation) - -Hydrogen-bonding correlation between contact pairs of peptide groups - -Scaling factor of 1,4 SC-p interactions: 0.400 -General scaling factor of SC-p interactions: 1.000 - -Energy-term weights (scaled): - -WSCC= 1.352790 (SC-SC) -WSCP= 1.593040 (SC-p) -WELEC= 0.715340 (p-p electr) -WVDWPP= 0.113710 (p-p VDW) -WBOND= 1.000000 (stretching) -WANG= 1.138730 (bending) -WSCLOC= 0.162580 (SC local) -WTOR= 1.985990 (torsional) -WTORD= 1.570690 (double torsional) -WSTRAIN= 1.000000 (SS bridges & dist. cnstr.) -WEL_LOC= 0.160360 (multi-body 3-rd order) -WCORR4= 0.428870 (multi-body 4th order) -WCORR5= 0.000000 (multi-body 5th order) -WCORR6= 0.000000 (multi-body 6th order) -WSCCOR= 0.000000 (back-scloc correlatkion) -WTURN3= 1.687220 (turns, 3rd order) -WTURN4= 0.662300 (turns, 4th order) -WTURN6= 0.000000 (turns, 6th order) -WDFA_D= 0.000000 (DFA, distance) -WDFA_T= 0.000000 (DFA, torsional) -WDFA_N= 0.000000 (DFA, number of neighbor) -WDFA_B= 0.000000 (DFA, beta formation) - Reference temperature for weights calculation: 300.000000000000 - Parameters of the SS-bond potential: - D0CM 3.78000000000000 AKCM 15.1000000000000 AKTH - 11.0000000000000 AKCT 12.0000000000000 - V1SS -1.08000000000000 V2SS 7.61000000000000 V3SS - 13.7000000000000 - EBR -5.50000000000000 - ITEL - 1 21 0 - 2 14 1 - 3 5 1 - 4 8 1 - 5 4 1 - 6 13 1 - 7 7 1 - 8 5 1 - 9 19 1 - 10 16 1 - 11 10 1 - 12 10 2 - 13 20 1 - 14 12 1 - 15 12 1 - 16 10 1 - 17 18 2 - 18 20 2 - 19 20 2 - 20 20 1 - 21 12 0 - ns= 0 iss: - NZ_START= 2 NZ_END= 21 - IZ_SC= 0 - -Geometry of the virtual chain. - Res d Theta Gamma Dsc Alpha Beta -D 1 0.000 0.000 0.000 0.000 0.000 0.000 -ASN 2 3.800 0.000 0.000 1.684 0.000 0.000 -LEU 3 3.800 0.000 0.000 1.939 0.000 0.000 -TYR 4 3.800 0.000 0.000 2.484 0.000 0.000 -ILE 5 3.800 0.000 0.000 1.776 0.000 0.000 -GLN 6 3.800 0.000 0.000 2.240 0.000 0.000 -TRP 7 3.800 0.000 0.000 2.605 0.000 0.000 -LEU 8 3.800 0.000 0.000 1.939 0.000 0.000 -LYS 9 3.800 0.000 0.000 2.541 0.000 0.000 -ASP 10 3.800 0.000 0.000 1.709 0.000 0.000 -GLY 11 3.800 0.000 0.000 0.000 0.000 0.000 -GLY 12 3.800 0.000 0.000 0.000 0.000 0.000 -PRO 13 3.800 0.000 0.000 1.345 0.000 0.000 -SER 14 3.800 0.000 0.000 1.150 0.000 0.000 -SER 15 3.800 0.000 0.000 1.150 0.000 0.000 -GLY 16 3.800 0.000 0.000 0.000 0.000 0.000 -ARG 17 3.800 0.000 0.000 3.020 0.000 0.000 -PRO 18 3.800 0.000 0.000 1.345 0.000 0.000 -PRO 19 3.800 0.000 0.000 1.345 0.000 0.000 -PRO 20 3.800 0.000 0.000 1.345 0.000 0.000 -SER 21 3.800 0.000 0.000 1.150 0.000 0.000 -D 22 3.800 0.000 0.000 0.000 0.000 0.000 - - -******************************************************************************** - Processor 28: end reading molecular data. -******************************************************************************** - - -CSA calculations calculation. - -Conformations will be energy-minimized. -******************************************************************************** - -Waiting for 0.1328 sec -Waiting for 0.2461 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec - Finishing minim_jlee - signal 0 from master -Waiting for 0.5977 sec -Waiting for 0.0312 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec 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0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.3047 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.2656 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.2188 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.4492 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.3945 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec 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0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.2969 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.2617 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.3906 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.2695 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.3320 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.3867 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.2578 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.3242 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.4570 sec - Finishing minim_jlee - signal 0 from master - End of minim, proc 28 time 194.417968750000 -CG processor 28 is finishing work. - Total wall clock time 198.644531250000 sec diff --git a/examples/unres/CSA/GAB/CSA/1l2y_csa.out_GB029 b/examples/unres/CSA/GAB/CSA/1l2y_csa.out_GB029 deleted file mode 100644 index 760b6fa..0000000 --- a/examples/unres/CSA/GAB/CSA/1l2y_csa.out_GB029 +++ /dev/null @@ -1,1222 +0,0 @@ -******************************************************************************** -United-residue force field calculation - parallel job. -******************************************************************************** - MPI: node= 29 iseed= -91792289 - ran_num 0.212569247064002 -RMSDBC = 3.0 -RMSDBC1 = 0.5 -RMSDBC1MAX = 1.5 -DRMS = 0.1 -RMSDBCM = 3.0 -Time limit (min): 960.0 - RESCALE_MODE 0 -Library routine used to diagonalize matrices. - -******************************************************************************** - Options in energy minimization: -******************************************************************************** -MaxMin: 3000 MaxFun: 1000MinMin: 3000 MinFun: 3000 TolF: 1.00000E-02 RTolF: 1.00000E-04 - NCONF_IN 0 - -Energy-term weights (unscaled): - -WSCC= 1.352790 (SC-SC) -WSCP= 1.593040 (SC-p) -WELEC= 0.715340 (p-p electr) -WVDWPP= 0.113710 (p-p VDW) -WBOND= 1.000000 (stretching) -WANG= 1.138730 (bending) -WSCLOC= 0.162580 (SC local) -WTOR= 1.985990 (torsional) -WTORD= 1.570690 (double torsional) -WSTRAIN= 1.000000 (SS bridges & dist. cnstr.) -WEL_LOC= 0.160360 (multi-body 3-rd order) -WCORR4= 0.428870 (multi-body 4th order) -WCORR5= 0.000000 (multi-body 5th order) -WCORR6= 0.000000 (multi-body 6th order) -WSCCOR= 0.000000 (back-scloc correlation) -WTURN3= 1.687220 (turns, 3rd order) -WTURN4= 0.662300 (turns, 4th order) -WTURN6= 0.000000 (turns, 6th order) -WDFA_D= 0.000000 (DFA, distance) -WDFA_T= 0.000000 (DFA, torsional) -WDFA_N= 0.000000 (DFA, number of neighbor) -WDFA_B= 0.000000 (DFA, beta formation) - -Hydrogen-bonding correlation between contact pairs of peptide groups - -Scaling factor of 1,4 SC-p interactions: 0.400 -General scaling factor of SC-p interactions: 1.000 - -Energy-term weights (scaled): - -WSCC= 1.352790 (SC-SC) -WSCP= 1.593040 (SC-p) -WELEC= 0.715340 (p-p electr) -WVDWPP= 0.113710 (p-p VDW) -WBOND= 1.000000 (stretching) -WANG= 1.138730 (bending) -WSCLOC= 0.162580 (SC local) -WTOR= 1.985990 (torsional) -WTORD= 1.570690 (double torsional) -WSTRAIN= 1.000000 (SS bridges & dist. cnstr.) -WEL_LOC= 0.160360 (multi-body 3-rd order) -WCORR4= 0.428870 (multi-body 4th order) -WCORR5= 0.000000 (multi-body 5th order) -WCORR6= 0.000000 (multi-body 6th order) -WSCCOR= 0.000000 (back-scloc correlatkion) -WTURN3= 1.687220 (turns, 3rd order) -WTURN4= 0.662300 (turns, 4th order) -WTURN6= 0.000000 (turns, 6th order) -WDFA_D= 0.000000 (DFA, distance) -WDFA_T= 0.000000 (DFA, torsional) -WDFA_N= 0.000000 (DFA, number of neighbor) -WDFA_B= 0.000000 (DFA, beta formation) - Reference temperature for weights calculation: 300.000000000000 - Parameters of the SS-bond potential: - D0CM 3.78000000000000 AKCM 15.1000000000000 AKTH - 11.0000000000000 AKCT 12.0000000000000 - V1SS -1.08000000000000 V2SS 7.61000000000000 V3SS - 13.7000000000000 - EBR -5.50000000000000 - ITEL - 1 21 0 - 2 14 1 - 3 5 1 - 4 8 1 - 5 4 1 - 6 13 1 - 7 7 1 - 8 5 1 - 9 19 1 - 10 16 1 - 11 10 1 - 12 10 2 - 13 20 1 - 14 12 1 - 15 12 1 - 16 10 1 - 17 18 2 - 18 20 2 - 19 20 2 - 20 20 1 - 21 12 0 - ns= 0 iss: - NZ_START= 2 NZ_END= 21 - IZ_SC= 0 - -Geometry of the virtual chain. - Res d Theta Gamma Dsc Alpha Beta -D 1 0.000 0.000 0.000 0.000 0.000 0.000 -ASN 2 3.800 0.000 0.000 1.684 0.000 0.000 -LEU 3 3.800 0.000 0.000 1.939 0.000 0.000 -TYR 4 3.800 0.000 0.000 2.484 0.000 0.000 -ILE 5 3.800 0.000 0.000 1.776 0.000 0.000 -GLN 6 3.800 0.000 0.000 2.240 0.000 0.000 -TRP 7 3.800 0.000 0.000 2.605 0.000 0.000 -LEU 8 3.800 0.000 0.000 1.939 0.000 0.000 -LYS 9 3.800 0.000 0.000 2.541 0.000 0.000 -ASP 10 3.800 0.000 0.000 1.709 0.000 0.000 -GLY 11 3.800 0.000 0.000 0.000 0.000 0.000 -GLY 12 3.800 0.000 0.000 0.000 0.000 0.000 -PRO 13 3.800 0.000 0.000 1.345 0.000 0.000 -SER 14 3.800 0.000 0.000 1.150 0.000 0.000 -SER 15 3.800 0.000 0.000 1.150 0.000 0.000 -GLY 16 3.800 0.000 0.000 0.000 0.000 0.000 -ARG 17 3.800 0.000 0.000 3.020 0.000 0.000 -PRO 18 3.800 0.000 0.000 1.345 0.000 0.000 -PRO 19 3.800 0.000 0.000 1.345 0.000 0.000 -PRO 20 3.800 0.000 0.000 1.345 0.000 0.000 -SER 21 3.800 0.000 0.000 1.150 0.000 0.000 -D 22 3.800 0.000 0.000 0.000 0.000 0.000 - - -******************************************************************************** - Processor 29: end reading molecular data. -******************************************************************************** - - -CSA calculations calculation. - -Conformations will be energy-minimized. -******************************************************************************** - -Waiting for 0.1367 sec -Waiting for 0.1406 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec - Finishing minim_jlee - signal 0 from master -Waiting for 0.6016 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.5469 sec -Waiting for 0.1211 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.5195 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0312 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.8047 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0977 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 1.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0508 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.5234 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.3281 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.3750 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.4883 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 1.2812 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.3164 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.3594 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.4961 sec -Waiting for 0.0234 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.3125 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec 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0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.9961 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.2930 sec -Waiting for 0.0000 sec -Waiting for 0.0664 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.6094 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.3203 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.3398 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec 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0.3594 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.4844 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.3086 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.2266 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.2422 sec 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0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.3320 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.2773 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.3555 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec 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0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.3828 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.3242 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0039 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.3008 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.2344 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec 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0.4141 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.3281 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.3320 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.2656 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.2969 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.3086 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.4023 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.3047 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.2695 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.3281 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0078 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.2930 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.3047 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.3711 sec - Finishing minim_jlee - signal 0 from master - End of minim, proc 29 time 194.417968750000 -CG processor 29 is finishing work. - Total wall clock time 198.632812500000 sec diff --git a/examples/unres/CSA/GAB/CSA/1l2y_csa.out_GB030 b/examples/unres/CSA/GAB/CSA/1l2y_csa.out_GB030 deleted file mode 100644 index 7ef8db5..0000000 --- a/examples/unres/CSA/GAB/CSA/1l2y_csa.out_GB030 +++ /dev/null @@ -1,1255 +0,0 @@ -******************************************************************************** -United-residue force field calculation - parallel job. -******************************************************************************** - MPI: node= 30 iseed= -94852032 - ran_num 0.486321492916781 -RMSDBC = 3.0 -RMSDBC1 = 0.5 -RMSDBC1MAX = 1.5 -DRMS = 0.1 -RMSDBCM = 3.0 -Time limit (min): 960.0 - RESCALE_MODE 0 -Library routine used to diagonalize matrices. - -******************************************************************************** - Options in energy minimization: -******************************************************************************** -MaxMin: 3000 MaxFun: 1000MinMin: 3000 MinFun: 3000 TolF: 1.00000E-02 RTolF: 1.00000E-04 - NCONF_IN 0 - -Energy-term weights (unscaled): - -WSCC= 1.352790 (SC-SC) -WSCP= 1.593040 (SC-p) -WELEC= 0.715340 (p-p electr) -WVDWPP= 0.113710 (p-p VDW) -WBOND= 1.000000 (stretching) -WANG= 1.138730 (bending) -WSCLOC= 0.162580 (SC local) -WTOR= 1.985990 (torsional) -WTORD= 1.570690 (double torsional) -WSTRAIN= 1.000000 (SS bridges & dist. cnstr.) -WEL_LOC= 0.160360 (multi-body 3-rd order) -WCORR4= 0.428870 (multi-body 4th order) -WCORR5= 0.000000 (multi-body 5th order) -WCORR6= 0.000000 (multi-body 6th order) -WSCCOR= 0.000000 (back-scloc correlation) -WTURN3= 1.687220 (turns, 3rd order) -WTURN4= 0.662300 (turns, 4th order) -WTURN6= 0.000000 (turns, 6th order) -WDFA_D= 0.000000 (DFA, distance) -WDFA_T= 0.000000 (DFA, torsional) -WDFA_N= 0.000000 (DFA, number of neighbor) -WDFA_B= 0.000000 (DFA, beta formation) - -Hydrogen-bonding correlation between contact pairs of peptide groups - -Scaling factor of 1,4 SC-p interactions: 0.400 -General scaling factor of SC-p interactions: 1.000 - -Energy-term weights (scaled): - -WSCC= 1.352790 (SC-SC) -WSCP= 1.593040 (SC-p) -WELEC= 0.715340 (p-p electr) -WVDWPP= 0.113710 (p-p VDW) -WBOND= 1.000000 (stretching) -WANG= 1.138730 (bending) -WSCLOC= 0.162580 (SC local) -WTOR= 1.985990 (torsional) -WTORD= 1.570690 (double torsional) -WSTRAIN= 1.000000 (SS bridges & dist. cnstr.) -WEL_LOC= 0.160360 (multi-body 3-rd order) -WCORR4= 0.428870 (multi-body 4th order) -WCORR5= 0.000000 (multi-body 5th order) -WCORR6= 0.000000 (multi-body 6th order) -WSCCOR= 0.000000 (back-scloc correlatkion) -WTURN3= 1.687220 (turns, 3rd order) -WTURN4= 0.662300 (turns, 4th order) -WTURN6= 0.000000 (turns, 6th order) -WDFA_D= 0.000000 (DFA, distance) -WDFA_T= 0.000000 (DFA, torsional) -WDFA_N= 0.000000 (DFA, number of neighbor) -WDFA_B= 0.000000 (DFA, beta formation) - Reference temperature for weights calculation: 300.000000000000 - Parameters of the SS-bond potential: - D0CM 3.78000000000000 AKCM 15.1000000000000 AKTH - 11.0000000000000 AKCT 12.0000000000000 - V1SS -1.08000000000000 V2SS 7.61000000000000 V3SS - 13.7000000000000 - EBR -5.50000000000000 - ITEL - 1 21 0 - 2 14 1 - 3 5 1 - 4 8 1 - 5 4 1 - 6 13 1 - 7 7 1 - 8 5 1 - 9 19 1 - 10 16 1 - 11 10 1 - 12 10 2 - 13 20 1 - 14 12 1 - 15 12 1 - 16 10 1 - 17 18 2 - 18 20 2 - 19 20 2 - 20 20 1 - 21 12 0 - ns= 0 iss: - NZ_START= 2 NZ_END= 21 - IZ_SC= 0 - -Geometry of the virtual chain. - Res d Theta Gamma Dsc Alpha Beta -D 1 0.000 0.000 0.000 0.000 0.000 0.000 -ASN 2 3.800 0.000 0.000 1.684 0.000 0.000 -LEU 3 3.800 0.000 0.000 1.939 0.000 0.000 -TYR 4 3.800 0.000 0.000 2.484 0.000 0.000 -ILE 5 3.800 0.000 0.000 1.776 0.000 0.000 -GLN 6 3.800 0.000 0.000 2.240 0.000 0.000 -TRP 7 3.800 0.000 0.000 2.605 0.000 0.000 -LEU 8 3.800 0.000 0.000 1.939 0.000 0.000 -LYS 9 3.800 0.000 0.000 2.541 0.000 0.000 -ASP 10 3.800 0.000 0.000 1.709 0.000 0.000 -GLY 11 3.800 0.000 0.000 0.000 0.000 0.000 -GLY 12 3.800 0.000 0.000 0.000 0.000 0.000 -PRO 13 3.800 0.000 0.000 1.345 0.000 0.000 -SER 14 3.800 0.000 0.000 1.150 0.000 0.000 -SER 15 3.800 0.000 0.000 1.150 0.000 0.000 -GLY 16 3.800 0.000 0.000 0.000 0.000 0.000 -ARG 17 3.800 0.000 0.000 3.020 0.000 0.000 -PRO 18 3.800 0.000 0.000 1.345 0.000 0.000 -PRO 19 3.800 0.000 0.000 1.345 0.000 0.000 -PRO 20 3.800 0.000 0.000 1.345 0.000 0.000 -SER 21 3.800 0.000 0.000 1.150 0.000 0.000 -D 22 3.800 0.000 0.000 0.000 0.000 0.000 - - -******************************************************************************** - Processor 30: end reading molecular data. -******************************************************************************** - - -CSA calculations calculation. - -Conformations will be energy-minimized. -******************************************************************************** - -Waiting for 0.1484 sec -Waiting for 0.2969 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec - Finishing minim_jlee - signal 0 from master -Waiting for 0.6016 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0234 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.6289 sec -Waiting for 0.0898 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0312 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.4414 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.7930 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 1.0469 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.2656 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.5195 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0352 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.2109 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0391 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.3164 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.4297 sec -Waiting for 0.0039 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 1.3867 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.3008 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0156 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.4961 sec -Waiting for 0.0000 sec -Waiting for 0.0391 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.4570 sec -Waiting for 0.1289 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.2695 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.7070 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.3125 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.4375 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.2773 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 1.0273 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.2148 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.6328 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.2930 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.3320 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.3359 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.3320 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.2578 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.3320 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.4453 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.2656 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.3750 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.2227 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.4688 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.3203 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.2852 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.2500 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.1289 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.3594 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.2617 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.3398 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.2734 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.2578 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.3672 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0078 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.2305 sec -Waiting for 0.0000 sec -Waiting for 0.0430 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.3398 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.5117 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.5039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.5820 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.3242 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.3672 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.3750 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.3477 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0078 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.3008 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.3594 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.2539 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.3047 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.3320 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.3828 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.3281 sec -Waiting for 0.0000 sec -Waiting for 0.0078 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.1914 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.3438 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.3906 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.7617 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0078 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.3711 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.9336 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.3125 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.4062 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.3320 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.2930 sec -Waiting for 0.0000 sec -Waiting for 0.6133 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0078 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.2812 sec -Waiting for 0.1016 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.3984 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.8438 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.2734 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.5273 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.2344 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0742 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.2383 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 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0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.2578 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.3125 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.2188 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.3359 sec 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0.0000 sec -Waiting for 0.1250 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.3242 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0156 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.3047 sec -Waiting for 0.0000 sec -Waiting for 0.0078 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.3398 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.3516 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.4570 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.3398 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.3438 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.3750 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0078 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.2617 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.2266 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.3789 sec - Finishing minim_jlee - signal 0 from master - End of minim, proc 30 time 194.417968750000 -CG processor 30 is finishing work. - Total wall clock time 198.636718750000 sec diff --git a/examples/unres/CSA/GAB/CSA/1l2y_csa.out_GB031 b/examples/unres/CSA/GAB/CSA/1l2y_csa.out_GB031 deleted file mode 100644 index 6ffc9b7..0000000 --- a/examples/unres/CSA/GAB/CSA/1l2y_csa.out_GB031 +++ /dev/null @@ -1,1223 +0,0 @@ -******************************************************************************** -United-residue force field calculation - parallel job. -******************************************************************************** - MPI: node= 31 iseed= -97911775 - ran_num 0.760073738769561 -RMSDBC = 3.0 -RMSDBC1 = 0.5 -RMSDBC1MAX = 1.5 -DRMS = 0.1 -RMSDBCM = 3.0 -Time limit (min): 960.0 - RESCALE_MODE 0 -Library routine used to diagonalize matrices. - -******************************************************************************** - Options in energy minimization: -******************************************************************************** -MaxMin: 3000 MaxFun: 1000MinMin: 3000 MinFun: 3000 TolF: 1.00000E-02 RTolF: 1.00000E-04 - NCONF_IN 0 - -Energy-term weights (unscaled): - -WSCC= 1.352790 (SC-SC) -WSCP= 1.593040 (SC-p) -WELEC= 0.715340 (p-p electr) -WVDWPP= 0.113710 (p-p VDW) -WBOND= 1.000000 (stretching) -WANG= 1.138730 (bending) -WSCLOC= 0.162580 (SC local) -WTOR= 1.985990 (torsional) -WTORD= 1.570690 (double torsional) -WSTRAIN= 1.000000 (SS bridges & dist. cnstr.) -WEL_LOC= 0.160360 (multi-body 3-rd order) -WCORR4= 0.428870 (multi-body 4th order) -WCORR5= 0.000000 (multi-body 5th order) -WCORR6= 0.000000 (multi-body 6th order) -WSCCOR= 0.000000 (back-scloc correlation) -WTURN3= 1.687220 (turns, 3rd order) -WTURN4= 0.662300 (turns, 4th order) -WTURN6= 0.000000 (turns, 6th order) -WDFA_D= 0.000000 (DFA, distance) -WDFA_T= 0.000000 (DFA, torsional) -WDFA_N= 0.000000 (DFA, number of neighbor) -WDFA_B= 0.000000 (DFA, beta formation) - -Hydrogen-bonding correlation between contact pairs of peptide groups - -Scaling factor of 1,4 SC-p interactions: 0.400 -General scaling factor of SC-p interactions: 1.000 - -Energy-term weights (scaled): - -WSCC= 1.352790 (SC-SC) -WSCP= 1.593040 (SC-p) -WELEC= 0.715340 (p-p electr) -WVDWPP= 0.113710 (p-p VDW) -WBOND= 1.000000 (stretching) -WANG= 1.138730 (bending) -WSCLOC= 0.162580 (SC local) -WTOR= 1.985990 (torsional) -WTORD= 1.570690 (double torsional) -WSTRAIN= 1.000000 (SS bridges & dist. cnstr.) -WEL_LOC= 0.160360 (multi-body 3-rd order) -WCORR4= 0.428870 (multi-body 4th order) -WCORR5= 0.000000 (multi-body 5th order) -WCORR6= 0.000000 (multi-body 6th order) -WSCCOR= 0.000000 (back-scloc correlatkion) -WTURN3= 1.687220 (turns, 3rd order) -WTURN4= 0.662300 (turns, 4th order) -WTURN6= 0.000000 (turns, 6th order) -WDFA_D= 0.000000 (DFA, distance) -WDFA_T= 0.000000 (DFA, torsional) -WDFA_N= 0.000000 (DFA, number of neighbor) -WDFA_B= 0.000000 (DFA, beta formation) - Reference temperature for weights calculation: 300.000000000000 - Parameters of the SS-bond potential: - D0CM 3.78000000000000 AKCM 15.1000000000000 AKTH - 11.0000000000000 AKCT 12.0000000000000 - V1SS -1.08000000000000 V2SS 7.61000000000000 V3SS - 13.7000000000000 - EBR -5.50000000000000 - ITEL - 1 21 0 - 2 14 1 - 3 5 1 - 4 8 1 - 5 4 1 - 6 13 1 - 7 7 1 - 8 5 1 - 9 19 1 - 10 16 1 - 11 10 1 - 12 10 2 - 13 20 1 - 14 12 1 - 15 12 1 - 16 10 1 - 17 18 2 - 18 20 2 - 19 20 2 - 20 20 1 - 21 12 0 - ns= 0 iss: - NZ_START= 2 NZ_END= 21 - IZ_SC= 0 - -Geometry of the virtual chain. - Res d Theta Gamma Dsc Alpha Beta -D 1 0.000 0.000 0.000 0.000 0.000 0.000 -ASN 2 3.800 0.000 0.000 1.684 0.000 0.000 -LEU 3 3.800 0.000 0.000 1.939 0.000 0.000 -TYR 4 3.800 0.000 0.000 2.484 0.000 0.000 -ILE 5 3.800 0.000 0.000 1.776 0.000 0.000 -GLN 6 3.800 0.000 0.000 2.240 0.000 0.000 -TRP 7 3.800 0.000 0.000 2.605 0.000 0.000 -LEU 8 3.800 0.000 0.000 1.939 0.000 0.000 -LYS 9 3.800 0.000 0.000 2.541 0.000 0.000 -ASP 10 3.800 0.000 0.000 1.709 0.000 0.000 -GLY 11 3.800 0.000 0.000 0.000 0.000 0.000 -GLY 12 3.800 0.000 0.000 0.000 0.000 0.000 -PRO 13 3.800 0.000 0.000 1.345 0.000 0.000 -SER 14 3.800 0.000 0.000 1.150 0.000 0.000 -SER 15 3.800 0.000 0.000 1.150 0.000 0.000 -GLY 16 3.800 0.000 0.000 0.000 0.000 0.000 -ARG 17 3.800 0.000 0.000 3.020 0.000 0.000 -PRO 18 3.800 0.000 0.000 1.345 0.000 0.000 -PRO 19 3.800 0.000 0.000 1.345 0.000 0.000 -PRO 20 3.800 0.000 0.000 1.345 0.000 0.000 -SER 21 3.800 0.000 0.000 1.150 0.000 0.000 -D 22 3.800 0.000 0.000 0.000 0.000 0.000 - - -******************************************************************************** - Processor 31: end reading molecular data. -******************************************************************************** - - -CSA calculations calculation. - -Conformations will be energy-minimized. -******************************************************************************** - -Waiting for 0.1562 sec -Waiting for 0.2344 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec - Finishing minim_jlee - signal 0 from master -Waiting for 0.0000 sec -Waiting for 0.2148 sec -Waiting for 0.0117 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0078 sec -Waiting for 0.4180 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0586 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.8086 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.1406 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 1.0586 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0078 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.1758 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.5156 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.3281 sec -Waiting for 0.0000 sec -Waiting for 0.0391 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.3867 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.4141 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 1.2656 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.1875 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.4766 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.4492 sec -Waiting for 0.0664 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.2539 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.7695 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.3047 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.4297 sec 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0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.2930 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0078 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.1562 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.3242 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.2930 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec 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0.0039 sec -Waiting for 0.2891 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.3555 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.5156 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.1328 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.3203 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.2461 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.3516 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.3320 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.2500 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.3320 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.3047 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.3008 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.2656 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.2383 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0078 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.3164 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.5664 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.4883 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.5039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0078 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.3203 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.3477 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.3672 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.2852 sec -Waiting for 0.0312 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.2812 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.1719 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.2383 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.3477 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.3438 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.2891 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.3711 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.1992 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.2812 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.3984 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.7031 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.3828 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.9219 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0078 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.3320 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.3711 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.2656 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.3203 sec -Waiting for 0.0000 sec -Waiting for 0.6211 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.4453 sec -Waiting for 0.0820 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.4492 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.8828 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.2852 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.4961 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.3281 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0117 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.2930 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.4609 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.3789 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.2539 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.5312 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.2656 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.2891 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.4141 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.3086 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.2852 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.2773 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.2852 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.1562 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.3867 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.3672 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.3555 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.3359 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.3320 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0625 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.1758 sec -Waiting for 0.0195 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.3320 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.2930 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.4375 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.2734 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.3125 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0039 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.3008 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.3477 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.3203 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.0000 sec -Waiting for 0.3320 sec - Finishing minim_jlee - signal 0 from master - End of minim, proc 31 time 191.480468750000 -CG processor 31 is finishing work. - Total wall clock time 198.644531250000 sec diff --git a/examples/unres/CSA/GAB/CSA/1l2y_csa@001.pdb b/examples/unres/CSA/GAB/CSA/1l2y_csa@001.pdb deleted file mode 100644 index 44cd09a..0000000 --- a/examples/unres/CSA/GAB/CSA/1l2y_csa@001.pdb +++ /dev/null @@ -1,60 +0,0 @@ -REMARK GM 1 e 169 m 1 ENERGY -4.02608E+01 -ATOM 1 CA ASN 1 3.800 0.000 0.000 0.000 -ATOM 2 CB ASN 1 5.230 0.836 0.302 0.000 -ATOM 3 CA LEU 2 5.587 -3.353 0.000 0.000 -ATOM 4 CB LEU 2 5.889 -5.034 -0.918 0.000 -ATOM 5 CA TYR 3 8.887 -3.689 1.854 0.000 -ATOM 6 CB TYR 3 8.696 -3.537 4.326 0.000 -ATOM 7 CA ILE 4 10.379 -7.183 1.923 0.000 -ATOM 8 CB ILE 4 10.160 -7.891 0.309 0.000 -ATOM 9 CA GLN 5 13.745 -7.788 3.580 0.000 -ATOM 10 CB GLN 5 13.627 -6.138 5.091 0.000 -ATOM 11 CA TRP 6 15.356 -11.229 3.515 0.000 -ATOM 12 CB TRP 6 16.826 -13.343 3.119 0.000 -ATOM 13 CA LEU 7 18.448 -10.092 5.409 0.000 -ATOM 14 CB LEU 7 19.998 -8.934 5.279 0.000 -ATOM 15 CA LYS 8 18.505 -10.850 9.133 0.000 -ATOM 16 CB LYS 8 20.736 -12.028 8.836 0.000 -ATOM 17 CA ASP 9 17.583 -8.412 11.897 0.000 -ATOM 18 CB ASP 9 16.805 -7.178 11.007 0.000 -ATOM 19 CA GLY 10 18.038 -9.372 15.546 0.000 -ATOM 20 CA GLY 11 17.130 -7.254 18.568 0.000 -ATOM 21 CA PRO 12 17.029 -7.870 22.316 0.000 -ATOM 22 CB PRO 12 17.069 -6.526 22.312 0.000 -ATOM 23 CA SER 13 14.844 -10.705 23.591 0.000 -ATOM 24 CB SER 13 15.183 -11.719 23.166 0.000 -ATOM 25 CA SER 14 14.649 -11.808 27.222 0.000 -ATOM 26 CB SER 14 14.773 -11.106 28.125 0.000 -ATOM 27 CA GLY 15 12.381 -14.532 28.592 0.000 -ATOM 28 CA ARG 16 8.859 -14.023 29.925 0.000 -ATOM 29 CB ARG 16 8.002 -11.436 31.226 0.000 -ATOM 30 CA PRO 17 6.544 -16.543 31.578 0.000 -ATOM 31 CB PRO 17 6.150 -15.400 32.166 0.000 -ATOM 32 CA PRO 18 4.744 -19.088 29.405 0.000 -ATOM 33 CB PRO 18 5.528 -20.083 29.859 0.000 -ATOM 34 CA PRO 19 1.393 -19.358 31.176 0.000 -ATOM 35 CB PRO 19 1.977 -18.367 31.873 0.000 -ATOM 36 CA SER 20 -1.825 -19.649 29.175 0.000 -ATOM 37 CB SER 20 -1.835 -20.468 28.368 0.000 -TER -CONECT 1 3 2 -CONECT 3 5 4 -CONECT 5 7 6 -CONECT 7 9 8 -CONECT 9 11 10 -CONECT 11 13 12 -CONECT 13 15 14 -CONECT 15 17 16 -CONECT 17 19 18 -CONECT 19 20 -CONECT 20 21 -CONECT 21 23 22 -CONECT 23 25 24 -CONECT 25 27 26 -CONECT 27 28 -CONECT 28 30 29 -CONECT 30 32 31 -CONECT 32 34 33 -CONECT 34 36 35 -CONECT 36 37 -ENDMDL diff --git a/examples/unres/CSA/GAB/CSA/1l2y_csa@002.pdb b/examples/unres/CSA/GAB/CSA/1l2y_csa@002.pdb deleted file mode 100644 index f16d75f..0000000 --- a/examples/unres/CSA/GAB/CSA/1l2y_csa@002.pdb +++ /dev/null @@ -1,60 +0,0 @@ -REMARK GM 2 e 711 m 2 ENERGY -5.07058E+01 -ATOM 1 CA ASN 1 3.800 0.000 0.000 0.000 -ATOM 2 CB ASN 1 5.266 0.769 0.309 0.000 -ATOM 3 CA LEU 2 5.612 -3.340 0.000 0.000 -ATOM 4 CB LEU 2 4.498 -4.394 -1.186 0.000 -ATOM 5 CA TYR 3 9.053 -3.719 1.567 0.000 -ATOM 6 CB TYR 3 10.849 -2.507 2.781 0.000 -ATOM 7 CA ILE 4 10.903 -7.037 1.504 0.000 -ATOM 8 CB ILE 4 10.158 -8.252 0.444 0.000 -ATOM 9 CA GLN 5 14.465 -7.187 2.819 0.000 -ATOM 10 CB GLN 5 14.772 -5.201 3.808 0.000 -ATOM 11 CA TRP 6 14.552 -10.963 2.396 0.000 -ATOM 12 CB TRP 6 14.931 -13.538 2.503 0.000 -ATOM 13 CA LEU 7 14.658 -10.644 -1.389 0.000 -ATOM 14 CB LEU 7 14.509 -8.714 -1.285 0.000 -ATOM 15 CA LYS 8 17.591 -13.046 -1.650 0.000 -ATOM 16 CB LYS 8 18.438 -11.036 -2.954 0.000 -ATOM 17 CA ASP 9 15.340 -16.056 -1.088 0.000 -ATOM 18 CB ASP 9 13.732 -16.473 -0.687 0.000 -ATOM 19 CA GLY 10 15.490 -19.169 -3.262 0.000 -ATOM 20 CA GLY 11 13.829 -22.222 -1.726 0.000 -ATOM 21 CA PRO 12 12.200 -25.363 -3.114 0.000 -ATOM 22 CB PRO 12 12.804 -25.924 -2.051 0.000 -ATOM 23 CA SER 13 9.030 -24.358 -4.952 0.000 -ATOM 24 CB SER 13 8.319 -25.211 -5.252 0.000 -ATOM 25 CA SER 14 7.336 -23.369 -1.698 0.000 -ATOM 26 CB SER 14 7.756 -23.885 -0.760 0.000 -ATOM 27 CA GLY 15 9.305 -20.137 -1.354 0.000 -ATOM 28 CA ARG 16 8.705 -16.459 -0.611 0.000 -ATOM 29 CB ARG 16 10.349 -14.000 0.000 0.000 -ATOM 30 CA PRO 17 7.868 -13.875 -3.269 0.000 -ATOM 31 CB PRO 17 6.769 -13.834 -2.496 0.000 -ATOM 32 CA PRO 18 10.540 -11.398 -4.349 0.000 -ATOM 33 CB PRO 18 11.417 -12.216 -3.739 0.000 -ATOM 34 CA PRO 19 9.885 -12.021 -8.040 0.000 -ATOM 35 CB PRO 19 8.865 -12.701 -7.488 0.000 -ATOM 36 CA SER 20 9.320 -8.329 -8.740 0.000 -ATOM 37 CB SER 20 9.184 -8.336 -7.599 0.000 -TER -CONECT 1 3 2 -CONECT 3 5 4 -CONECT 5 7 6 -CONECT 7 9 8 -CONECT 9 11 10 -CONECT 11 13 12 -CONECT 13 15 14 -CONECT 15 17 16 -CONECT 17 19 18 -CONECT 19 20 -CONECT 20 21 -CONECT 21 23 22 -CONECT 23 25 24 -CONECT 25 27 26 -CONECT 27 28 -CONECT 28 30 29 -CONECT 30 32 31 -CONECT 32 34 33 -CONECT 34 36 35 -CONECT 36 37 -ENDMDL diff --git a/examples/unres/CSA/GAB/CSA/1l2y_csa@003.pdb b/examples/unres/CSA/GAB/CSA/1l2y_csa@003.pdb deleted file mode 100644 index 202a3e9..0000000 --- a/examples/unres/CSA/GAB/CSA/1l2y_csa@003.pdb +++ /dev/null @@ -1,60 +0,0 @@ -REMARK GM 3 e 1833 m 4 ENERGY -5.13673E+01 -ATOM 1 CA ASN 1 3.800 0.000 0.000 0.000 -ATOM 2 CB ASN 1 5.395 0.492 0.223 0.000 -ATOM 3 CA LEU 2 4.056 -3.791 0.000 0.000 -ATOM 4 CB LEU 2 2.542 -4.236 1.128 0.000 -ATOM 5 CA TYR 3 5.989 -5.989 -2.423 0.000 -ATOM 6 CB TYR 3 4.610 -8.039 -2.164 0.000 -ATOM 7 CA ILE 4 5.095 -5.779 -6.111 0.000 -ATOM 8 CB ILE 4 3.911 -7.094 -6.262 0.000 -ATOM 9 CA GLN 5 6.321 -3.338 -8.752 0.000 -ATOM 10 CB GLN 5 7.334 -4.910 -9.985 0.000 -ATOM 11 CA TRP 6 3.184 -1.212 -8.466 0.000 -ATOM 12 CB TRP 6 1.803 -3.116 -7.347 0.000 -ATOM 13 CA LEU 7 4.451 0.636 -5.397 0.000 -ATOM 14 CB LEU 7 4.743 -0.952 -4.322 0.000 -ATOM 15 CA LYS 8 5.910 4.002 -6.388 0.000 -ATOM 16 CB LYS 8 3.733 4.874 -5.410 0.000 -ATOM 17 CA ASP 9 9.630 4.768 -6.496 0.000 -ATOM 18 CB ASP 9 11.189 4.069 -6.506 0.000 -ATOM 19 CA GLY 10 10.985 8.208 -7.375 0.000 -ATOM 20 CA GLY 11 14.590 9.387 -7.603 0.000 -ATOM 21 CA PRO 12 17.526 6.978 -7.727 0.000 -ATOM 22 CB PRO 12 18.205 8.104 -8.014 0.000 -ATOM 23 CA SER 13 16.846 3.971 -5.506 0.000 -ATOM 24 CB SER 13 15.832 4.091 -4.978 0.000 -ATOM 25 CA SER 14 16.282 0.352 -6.518 0.000 -ATOM 26 CB SER 14 16.729 -0.374 -5.746 0.000 -ATOM 27 CA GLY 15 12.953 -1.447 -6.870 0.000 -ATOM 28 CA ARG 16 10.293 -2.165 -4.254 0.000 -ATOM 29 CB ARG 16 8.388 -1.422 -6.476 0.000 -ATOM 30 CA PRO 17 10.322 -2.418 -0.462 0.000 -ATOM 31 CB PRO 17 8.984 -2.463 -0.585 0.000 -ATOM 32 CA PRO 18 11.501 -5.637 1.178 0.000 -ATOM 33 CB PRO 18 12.228 -4.890 2.028 0.000 -ATOM 34 CA PRO 19 8.517 -6.961 3.122 0.000 -ATOM 35 CB PRO 19 7.857 -6.441 2.072 0.000 -ATOM 36 CA SER 20 9.247 -9.768 5.577 0.000 -ATOM 37 CB SER 20 9.446 -9.314 6.615 0.000 -TER -CONECT 1 3 2 -CONECT 3 5 4 -CONECT 5 7 6 -CONECT 7 9 8 -CONECT 9 11 10 -CONECT 11 13 12 -CONECT 13 15 14 -CONECT 15 17 16 -CONECT 17 19 18 -CONECT 19 20 -CONECT 20 21 -CONECT 21 23 22 -CONECT 23 25 24 -CONECT 25 27 26 -CONECT 27 28 -CONECT 28 30 29 -CONECT 30 32 31 -CONECT 32 34 33 -CONECT 34 36 35 -CONECT 36 37 -ENDMDL diff --git a/examples/unres/CSA/GAB/CSA/1l2y_csa@004.pdb b/examples/unres/CSA/GAB/CSA/1l2y_csa@004.pdb deleted file mode 100644 index a9c7842..0000000 --- a/examples/unres/CSA/GAB/CSA/1l2y_csa@004.pdb +++ /dev/null @@ -1,60 +0,0 @@ -REMARK GM 4 e 3522 m 7 ENERGY -5.71579E+01 -ATOM 1 CA ASN 1 3.800 0.000 0.000 0.000 -ATOM 2 CB ASN 1 4.195 1.627 0.176 0.000 -ATOM 3 CA LEU 2 5.694 -3.295 0.000 0.000 -ATOM 4 CB LEU 2 6.473 -3.673 -1.735 0.000 -ATOM 5 CA TYR 3 7.063 -4.774 3.221 0.000 -ATOM 6 CB TYR 3 6.570 -6.347 5.079 0.000 -ATOM 7 CA ILE 4 8.331 -7.857 1.396 0.000 -ATOM 8 CB ILE 4 7.404 -8.209 -0.077 0.000 -ATOM 9 CA GLN 5 11.589 -6.205 0.348 0.000 -ATOM 10 CB GLN 5 11.151 -4.442 -0.962 0.000 -ATOM 11 CA TRP 6 10.994 -3.195 2.589 0.000 -ATOM 12 CB TRP 6 10.486 -4.627 4.705 0.000 -ATOM 13 CA LEU 7 9.628 -0.325 0.506 0.000 -ATOM 14 CB LEU 7 8.637 0.470 -0.959 0.000 -ATOM 15 CA LYS 8 8.457 1.496 3.628 0.000 -ATOM 16 CB LYS 8 6.691 -0.329 3.711 0.000 -ATOM 17 CA ASP 9 12.034 2.171 4.719 0.000 -ATOM 18 CB ASP 9 12.469 0.862 3.710 0.000 -ATOM 19 CA GLY 10 12.601 5.217 6.919 0.000 -ATOM 20 CA GLY 11 15.500 7.059 8.544 0.000 -ATOM 21 CA PRO 12 16.908 4.806 11.260 0.000 -ATOM 22 CB PRO 12 16.549 5.701 12.197 0.000 -ATOM 23 CA SER 13 14.015 2.356 11.000 0.000 -ATOM 24 CB SER 13 13.240 3.135 10.661 0.000 -ATOM 25 CA SER 14 14.829 -0.934 9.280 0.000 -ATOM 26 CB SER 14 15.540 -1.580 9.913 0.000 -ATOM 27 CA GLY 15 12.342 -3.695 8.484 0.000 -ATOM 28 CA ARG 16 12.560 -7.304 7.317 0.000 -ATOM 29 CB ARG 16 12.726 -9.511 9.372 0.000 -ATOM 30 CA PRO 17 9.565 -9.435 6.354 0.000 -ATOM 31 CB PRO 17 10.477 -9.826 5.446 0.000 -ATOM 32 CA PRO 18 7.583 -10.813 9.288 0.000 -ATOM 33 CB PRO 18 8.435 -10.016 9.958 0.000 -ATOM 34 CA PRO 19 3.789 -10.695 9.112 0.000 -ATOM 35 CB PRO 19 3.588 -11.726 9.952 0.000 -ATOM 36 CA SER 20 2.173 -8.256 11.537 0.000 -ATOM 37 CB SER 20 1.482 -7.508 11.002 0.000 -TER -CONECT 1 3 2 -CONECT 3 5 4 -CONECT 5 7 6 -CONECT 7 9 8 -CONECT 9 11 10 -CONECT 11 13 12 -CONECT 13 15 14 -CONECT 15 17 16 -CONECT 17 19 18 -CONECT 19 20 -CONECT 20 21 -CONECT 21 23 22 -CONECT 23 25 24 -CONECT 25 27 26 -CONECT 27 28 -CONECT 28 30 29 -CONECT 30 32 31 -CONECT 32 34 33 -CONECT 34 36 35 -CONECT 36 37 -ENDMDL diff --git a/examples/unres/CSA/GAB/CSA/1l2y_csa@005.pdb b/examples/unres/CSA/GAB/CSA/1l2y_csa@005.pdb deleted file mode 100644 index e132666..0000000 --- a/examples/unres/CSA/GAB/CSA/1l2y_csa@005.pdb +++ /dev/null @@ -1,60 +0,0 @@ -REMARK GM 5 e 7630 m 15 ENERGY -6.00184E+01 -ATOM 1 CA ASN 1 3.800 0.000 0.000 0.000 -ATOM 2 CB ASN 1 4.257 1.445 0.734 0.000 -ATOM 3 CA LEU 2 4.039 -3.792 0.000 0.000 -ATOM 4 CB LEU 2 4.876 -5.393 0.706 0.000 -ATOM 5 CA TYR 3 0.845 -5.583 -1.016 0.000 -ATOM 6 CB TYR 3 0.334 -5.516 -3.446 0.000 -ATOM 7 CA ILE 4 1.176 -9.360 -1.263 0.000 -ATOM 8 CB ILE 4 2.393 -9.899 -0.087 0.000 -ATOM 9 CA GLN 5 -2.575 -9.820 -1.663 0.000 -ATOM 10 CB GLN 5 -4.393 -8.513 -1.722 0.000 -ATOM 11 CA TRP 6 -2.515 -7.868 -4.923 0.000 -ATOM 12 CB TRP 6 -4.768 -7.301 -6.102 0.000 -ATOM 13 CA LEU 7 0.842 -9.312 -5.963 0.000 -ATOM 14 CB LEU 7 2.694 -9.553 -5.444 0.000 -ATOM 15 CA LYS 8 -0.673 -12.738 -6.602 0.000 -ATOM 16 CB LYS 8 0.742 -12.622 -8.709 0.000 -ATOM 17 CA ASP 9 -1.550 -15.186 -3.830 0.000 -ATOM 18 CB ASP 9 -1.742 -15.460 -2.154 0.000 -ATOM 19 CA GLY 10 -3.497 -18.295 -4.821 0.000 -ATOM 20 CA GLY 11 -6.787 -16.491 -5.421 0.000 -ATOM 21 CA PRO 12 -7.847 -13.821 -7.909 0.000 -ATOM 22 CB PRO 12 -8.806 -13.323 -7.108 0.000 -ATOM 23 CA SER 13 -6.183 -10.444 -8.423 0.000 -ATOM 24 CB SER 13 -5.146 -10.642 -7.967 0.000 -ATOM 25 CA SER 14 -6.859 -7.800 -11.067 0.000 -ATOM 26 CB SER 14 -7.926 -7.390 -10.947 0.000 -ATOM 27 CA GLY 15 -5.227 -4.543 -9.984 0.000 -ATOM 28 CA ARG 16 -8.053 -3.566 -7.639 0.000 -ATOM 29 CB ARG 16 -10.622 -4.163 -9.111 0.000 -ATOM 30 CA PRO 17 -9.098 -5.621 -4.619 0.000 -ATOM 31 CB PRO 17 -9.543 -4.405 -4.255 0.000 -ATOM 32 CA PRO 18 -11.169 -8.763 -5.147 0.000 -ATOM 33 CB PRO 18 -10.585 -8.801 -6.358 0.000 -ATOM 34 CA PRO 19 -9.008 -10.752 -2.737 0.000 -ATOM 35 CB PRO 19 -7.970 -10.463 -3.542 0.000 -ATOM 36 CA SER 20 -9.167 -8.030 -0.091 0.000 -ATOM 37 CB SER 20 -9.631 -7.086 -0.557 0.000 -TER -CONECT 1 3 2 -CONECT 3 5 4 -CONECT 5 7 6 -CONECT 7 9 8 -CONECT 9 11 10 -CONECT 11 13 12 -CONECT 13 15 14 -CONECT 15 17 16 -CONECT 17 19 18 -CONECT 19 20 -CONECT 20 21 -CONECT 21 23 22 -CONECT 23 25 24 -CONECT 25 27 26 -CONECT 27 28 -CONECT 28 30 29 -CONECT 30 32 31 -CONECT 32 34 33 -CONECT 34 36 35 -CONECT 36 37 -ENDMDL diff --git a/examples/unres/CSA/GAB/CSA/1l2y_csa@006.pdb b/examples/unres/CSA/GAB/CSA/1l2y_csa@006.pdb deleted file mode 100644 index 2a0ebfc..0000000 --- a/examples/unres/CSA/GAB/CSA/1l2y_csa@006.pdb +++ /dev/null @@ -1,60 +0,0 @@ -REMARK GM 6 e 14728 m 29 ENERGY -6.03899E+01 -ATOM 1 CA ASN 1 3.800 0.000 0.000 0.000 -ATOM 2 CB ASN 1 5.191 0.809 0.497 0.000 -ATOM 3 CA LEU 2 5.462 -3.417 0.000 0.000 -ATOM 4 CB LEU 2 6.825 -4.721 -0.449 0.000 -ATOM 5 CA TYR 3 4.263 -4.181 3.524 0.000 -ATOM 6 CB TYR 3 5.082 -1.867 3.910 0.000 -ATOM 7 CA ILE 4 0.994 -5.651 2.263 0.000 -ATOM 8 CB ILE 4 1.139 -4.636 0.814 0.000 -ATOM 9 CA GLN 5 0.634 -9.419 2.606 0.000 -ATOM 10 CB GLN 5 0.729 -10.142 4.723 0.000 -ATOM 11 CA TRP 6 1.517 -11.648 -0.343 0.000 -ATOM 12 CB TRP 6 2.859 -9.589 0.521 0.000 -ATOM 13 CA LEU 7 2.135 -15.240 0.731 0.000 -ATOM 14 CB LEU 7 2.416 -15.945 2.516 0.000 -ATOM 15 CA LYS 8 2.200 -17.941 -1.941 0.000 -ATOM 16 CB LYS 8 0.542 -16.185 -2.730 0.000 -ATOM 17 CA ASP 9 2.540 -21.675 -1.323 0.000 -ATOM 18 CB ASP 9 2.285 -23.354 -1.516 0.000 -ATOM 19 CA GLY 10 6.224 -21.435 -0.420 0.000 -ATOM 20 CA GLY 11 7.620 -18.735 1.860 0.000 -ATOM 21 CA PRO 12 7.388 -14.963 1.459 0.000 -ATOM 22 CB PRO 12 7.244 -14.981 2.796 0.000 -ATOM 23 CA SER 13 8.806 -13.541 -1.767 0.000 -ATOM 24 CB SER 13 8.122 -13.624 -2.687 0.000 -ATOM 25 CA SER 14 7.985 -9.944 -0.859 0.000 -ATOM 26 CB SER 14 7.273 -9.928 0.044 0.000 -ATOM 27 CA GLY 15 10.787 -8.166 0.992 0.000 -ATOM 28 CA ARG 16 9.224 -8.566 4.433 0.000 -ATOM 29 CB ARG 16 6.227 -8.204 4.535 0.000 -ATOM 30 CA PRO 17 7.894 -11.749 6.026 0.000 -ATOM 31 CB PRO 17 8.499 -11.210 7.100 0.000 -ATOM 32 CA PRO 18 4.156 -12.413 5.854 0.000 -ATOM 33 CB PRO 18 4.381 -12.075 4.572 0.000 -ATOM 34 CA PRO 19 2.649 -15.190 7.965 0.000 -ATOM 35 CB PRO 19 2.402 -14.401 9.026 0.000 -ATOM 36 CA SER 20 -0.692 -15.086 6.156 0.000 -ATOM 37 CB SER 20 -0.666 -14.267 5.350 0.000 -TER -CONECT 1 3 2 -CONECT 3 5 4 -CONECT 5 7 6 -CONECT 7 9 8 -CONECT 9 11 10 -CONECT 11 13 12 -CONECT 13 15 14 -CONECT 15 17 16 -CONECT 17 19 18 -CONECT 19 20 -CONECT 20 21 -CONECT 21 23 22 -CONECT 23 25 24 -CONECT 25 27 26 -CONECT 27 28 -CONECT 28 30 29 -CONECT 30 32 31 -CONECT 32 34 33 -CONECT 34 36 35 -CONECT 36 37 -ENDMDL diff --git a/examples/unres/CSA/GAB/CSA/1l2y_csa@007.pdb b/examples/unres/CSA/GAB/CSA/1l2y_csa@007.pdb deleted file mode 100644 index 69fcb0d..0000000 --- a/examples/unres/CSA/GAB/CSA/1l2y_csa@007.pdb +++ /dev/null @@ -1,60 +0,0 @@ -REMARK GM 7 e 16582 m 32 ENERGY -6.72687E+01 -ATOM 1 CA ASN 1 3.800 0.000 0.000 0.000 -ATOM 2 CB ASN 1 4.333 0.313 1.566 0.000 -ATOM 3 CA LEU 2 5.635 -3.328 0.000 0.000 -ATOM 4 CB LEU 2 5.543 -5.088 -0.807 0.000 -ATOM 5 CA TYR 3 8.933 -3.356 1.887 0.000 -ATOM 6 CB TYR 3 8.548 -1.075 2.792 0.000 -ATOM 7 CA ILE 4 11.381 -6.127 2.764 0.000 -ATOM 8 CB ILE 4 12.912 -6.471 1.932 0.000 -ATOM 9 CA GLN 5 9.164 -7.382 5.583 0.000 -ATOM 10 CB GLN 5 8.311 -5.904 7.034 0.000 -ATOM 11 CA TRP 6 6.410 -8.180 3.090 0.000 -ATOM 12 CB TRP 6 6.144 -5.643 3.617 0.000 -ATOM 13 CA LEU 7 8.965 -9.445 0.578 0.000 -ATOM 14 CB LEU 7 9.509 -8.115 -0.724 0.000 -ATOM 15 CA LYS 8 10.080 -12.146 3.007 0.000 -ATOM 16 CB LYS 8 11.294 -10.447 4.454 0.000 -ATOM 17 CA ASP 9 6.796 -14.009 2.572 0.000 -ATOM 18 CB ASP 9 5.827 -12.945 1.651 0.000 -ATOM 19 CA GLY 10 8.441 -17.380 3.177 0.000 -ATOM 20 CA GLY 11 10.636 -17.255 0.078 0.000 -ATOM 21 CA PRO 12 12.542 -14.246 -1.246 0.000 -ATOM 22 CB PRO 12 13.328 -15.076 -1.954 0.000 -ATOM 23 CA SER 13 9.735 -13.232 -3.598 0.000 -ATOM 24 CB SER 13 10.111 -13.824 -4.509 0.000 -ATOM 25 CA SER 14 6.224 -12.054 -2.746 0.000 -ATOM 26 CB SER 14 6.130 -11.135 -2.060 0.000 -ATOM 27 CA GLY 15 5.331 -10.289 -5.990 0.000 -ATOM 28 CA ARG 16 7.899 -7.514 -5.608 0.000 -ATOM 29 CB ARG 16 7.943 -4.746 -4.401 0.000 -ATOM 30 CA PRO 17 11.698 -7.612 -5.584 0.000 -ATOM 31 CB PRO 17 11.578 -6.309 -5.898 0.000 -ATOM 32 CA PRO 18 13.714 -8.497 -2.487 0.000 -ATOM 33 CB PRO 18 13.290 -9.734 -2.803 0.000 -ATOM 34 CA PRO 19 16.851 -6.361 -2.680 0.000 -ATOM 35 CB PRO 19 16.217 -5.958 -3.795 0.000 -ATOM 36 CA SER 20 18.093 -4.365 0.305 0.000 -ATOM 37 CB SER 20 17.276 -3.892 0.962 0.000 -TER -CONECT 1 3 2 -CONECT 3 5 4 -CONECT 5 7 6 -CONECT 7 9 8 -CONECT 9 11 10 -CONECT 11 13 12 -CONECT 13 15 14 -CONECT 15 17 16 -CONECT 17 19 18 -CONECT 19 20 -CONECT 20 21 -CONECT 21 23 22 -CONECT 23 25 24 -CONECT 25 27 26 -CONECT 27 28 -CONECT 28 30 29 -CONECT 30 32 31 -CONECT 32 34 33 -CONECT 34 36 35 -CONECT 36 37 -ENDMDL diff --git a/examples/unres/CSA/GAB/CSA/1l2y_csa@008.pdb b/examples/unres/CSA/GAB/CSA/1l2y_csa@008.pdb deleted file mode 100644 index 5206dc2..0000000 --- a/examples/unres/CSA/GAB/CSA/1l2y_csa@008.pdb +++ /dev/null @@ -1,60 +0,0 @@ -REMARK GM 8 e 60048 m 119 ENERGY -6.92484E+01 -ATOM 1 CA ASN 1 3.800 0.000 0.000 0.000 -ATOM 2 CB ASN 1 5.309 0.712 0.230 0.000 -ATOM 3 CA LEU 2 5.605 -3.344 0.000 0.000 -ATOM 4 CB LEU 2 5.809 -5.078 -0.844 0.000 -ATOM 5 CA TYR 3 9.251 -3.143 1.051 0.000 -ATOM 6 CB TYR 3 10.242 -2.992 3.324 0.000 -ATOM 7 CA ILE 4 10.421 -3.340 -2.559 0.000 -ATOM 8 CB ILE 4 10.234 -4.920 -3.349 0.000 -ATOM 9 CA GLN 5 9.171 0.196 -3.169 0.000 -ATOM 10 CB GLN 5 7.060 -0.542 -3.033 0.000 -ATOM 11 CA TRP 6 10.302 1.247 0.304 0.000 -ATOM 12 CB TRP 6 10.796 3.211 1.942 0.000 -ATOM 13 CA LEU 7 13.846 0.027 -0.320 0.000 -ATOM 14 CB LEU 7 13.665 -1.851 0.129 0.000 -ATOM 15 CA LYS 8 14.501 2.921 -2.694 0.000 -ATOM 16 CB LYS 8 11.964 2.913 -2.823 0.000 -ATOM 17 CA ASP 9 16.529 4.842 -0.117 0.000 -ATOM 18 CB ASP 9 17.968 5.684 0.260 0.000 -ATOM 19 CA GLY 10 14.668 6.200 2.905 0.000 -ATOM 20 CA GLY 11 12.024 8.927 3.006 0.000 -ATOM 21 CA PRO 12 10.750 10.584 6.180 0.000 -ATOM 22 CB PRO 12 10.432 11.656 5.434 0.000 -ATOM 23 CA SER 13 10.487 7.296 8.067 0.000 -ATOM 24 CB SER 13 10.224 6.437 7.349 0.000 -ATOM 25 CA SER 14 13.219 5.359 9.865 0.000 -ATOM 26 CB SER 14 12.830 4.825 10.806 0.000 -ATOM 27 CA GLY 15 14.909 2.311 8.351 0.000 -ATOM 28 CA ARG 16 13.128 -1.043 8.496 0.000 -ATOM 29 CB ARG 16 11.464 0.982 6.997 0.000 -ATOM 30 CA PRO 17 14.363 -4.471 7.418 0.000 -ATOM 31 CB PRO 17 13.762 -4.764 8.585 0.000 -ATOM 32 CA PRO 18 14.065 -5.340 3.731 0.000 -ATOM 33 CB PRO 18 15.340 -5.747 3.866 0.000 -ATOM 34 CA PRO 19 11.557 -7.903 2.474 0.000 -ATOM 35 CB PRO 19 10.863 -7.179 1.577 0.000 -ATOM 36 CA SER 20 13.043 -9.654 -0.553 0.000 -ATOM 37 CB SER 20 12.689 -9.222 -1.559 0.000 -TER -CONECT 1 3 2 -CONECT 3 5 4 -CONECT 5 7 6 -CONECT 7 9 8 -CONECT 9 11 10 -CONECT 11 13 12 -CONECT 13 15 14 -CONECT 15 17 16 -CONECT 17 19 18 -CONECT 19 20 -CONECT 20 21 -CONECT 21 23 22 -CONECT 23 25 24 -CONECT 25 27 26 -CONECT 27 28 -CONECT 28 30 29 -CONECT 30 32 31 -CONECT 32 34 33 -CONECT 34 36 35 -CONECT 36 37 -ENDMDL diff --git a/examples/unres/CSA/GAB/CSA/1l2y_csa@009.pdb b/examples/unres/CSA/GAB/CSA/1l2y_csa@009.pdb deleted file mode 100644 index 6cad95b..0000000 --- a/examples/unres/CSA/GAB/CSA/1l2y_csa@009.pdb +++ /dev/null @@ -1,60 +0,0 @@ -REMARK GM 9 e 104358 m 211 ENERGY -6.92514E+01 -ATOM 1 CA ASN 1 3.800 0.000 0.000 0.000 -ATOM 2 CB ASN 1 5.303 0.717 0.251 0.000 -ATOM 3 CA LEU 2 5.619 -3.336 0.000 0.000 -ATOM 4 CB LEU 2 5.856 -5.058 -0.860 0.000 -ATOM 5 CA TYR 3 9.241 -3.132 1.133 0.000 -ATOM 6 CB TYR 3 10.173 -3.005 3.431 0.000 -ATOM 7 CA ILE 4 10.493 -3.288 -2.452 0.000 -ATOM 8 CB ILE 4 10.331 -4.861 -3.259 0.000 -ATOM 9 CA GLN 5 9.239 0.248 -3.056 0.000 -ATOM 10 CB GLN 5 7.131 -0.504 -2.979 0.000 -ATOM 11 CA TRP 6 10.287 1.271 0.450 0.000 -ATOM 12 CB TRP 6 10.744 3.210 2.129 0.000 -ATOM 13 CA LEU 7 13.852 0.079 -0.108 0.000 -ATOM 14 CB LEU 7 13.661 -1.801 0.327 0.000 -ATOM 15 CA LYS 8 14.531 2.985 -2.460 0.000 -ATOM 16 CB LYS 8 11.996 2.969 -2.635 0.000 -ATOM 17 CA ASP 9 16.498 4.909 0.160 0.000 -ATOM 18 CB ASP 9 17.915 5.773 0.569 0.000 -ATOM 19 CA GLY 10 14.570 6.210 3.165 0.000 -ATOM 20 CA GLY 11 11.880 8.893 3.254 0.000 -ATOM 21 CA PRO 12 10.531 10.514 6.415 0.000 -ATOM 22 CB PRO 12 10.220 11.591 5.672 0.000 -ATOM 23 CA SER 13 10.254 7.208 8.268 0.000 -ATOM 24 CB SER 13 10.009 6.353 7.540 0.000 -ATOM 25 CA SER 14 12.981 5.286 10.086 0.000 -ATOM 26 CB SER 14 12.588 4.740 11.019 0.000 -ATOM 27 CA GLY 15 14.718 2.265 8.569 0.000 -ATOM 28 CA ARG 16 12.950 -1.097 8.667 0.000 -ATOM 29 CB ARG 16 11.294 0.925 7.153 0.000 -ATOM 30 CA PRO 17 14.210 -4.516 7.588 0.000 -ATOM 31 CB PRO 17 13.586 -4.818 8.740 0.000 -ATOM 32 CA PRO 18 13.991 -5.358 3.889 0.000 -ATOM 33 CB PRO 18 15.263 -5.767 4.050 0.000 -ATOM 34 CA PRO 19 11.508 -7.908 2.559 0.000 -ATOM 35 CB PRO 19 10.838 -7.175 1.653 0.000 -ATOM 36 CA SER 20 13.064 -9.646 -0.441 0.000 -ATOM 37 CB SER 20 12.733 -9.209 -1.452 0.000 -TER -CONECT 1 3 2 -CONECT 3 5 4 -CONECT 5 7 6 -CONECT 7 9 8 -CONECT 9 11 10 -CONECT 11 13 12 -CONECT 13 15 14 -CONECT 15 17 16 -CONECT 17 19 18 -CONECT 19 20 -CONECT 20 21 -CONECT 21 23 22 -CONECT 23 25 24 -CONECT 25 27 26 -CONECT 27 28 -CONECT 28 30 29 -CONECT 30 32 31 -CONECT 32 34 33 -CONECT 34 36 35 -CONECT 36 37 -ENDMDL diff --git a/examples/unres/CSA/GAB/CSA/1l2y_csa@010.pdb b/examples/unres/CSA/GAB/CSA/1l2y_csa@010.pdb deleted file mode 100644 index e3a0696..0000000 --- a/examples/unres/CSA/GAB/CSA/1l2y_csa@010.pdb +++ /dev/null @@ -1,60 +0,0 @@ -REMARK GM 10 e 106653 m 220 ENERGY -6.94120E+01 -ATOM 1 CA ASN 1 3.800 0.000 0.000 0.000 -ATOM 2 CB ASN 1 5.306 0.717 0.235 0.000 -ATOM 3 CA LEU 2 5.613 -3.340 0.000 0.000 -ATOM 4 CB LEU 2 5.824 -5.074 -0.841 0.000 -ATOM 5 CA TYR 3 9.259 -3.128 1.048 0.000 -ATOM 6 CB TYR 3 10.241 -2.969 3.325 0.000 -ATOM 7 CA ILE 4 10.431 -3.331 -2.561 0.000 -ATOM 8 CB ILE 4 10.235 -4.912 -3.346 0.000 -ATOM 9 CA GLN 5 9.189 0.208 -3.172 0.000 -ATOM 10 CB GLN 5 7.078 -0.528 -3.030 0.000 -ATOM 11 CA TRP 6 10.302 1.252 0.308 0.000 -ATOM 12 CB TRP 6 10.765 3.211 1.961 0.000 -ATOM 13 CA LEU 7 13.849 0.032 -0.299 0.000 -ATOM 14 CB LEU 7 13.705 -1.864 0.080 0.000 -ATOM 15 CA LYS 8 14.511 2.922 -2.676 0.000 -ATOM 16 CB LYS 8 11.973 2.915 -2.814 0.000 -ATOM 17 CA ASP 9 16.497 4.873 -0.090 0.000 -ATOM 18 CB ASP 9 17.918 5.739 0.300 0.000 -ATOM 19 CA GLY 10 14.589 6.215 2.910 0.000 -ATOM 20 CA GLY 11 11.894 8.894 2.973 0.000 -ATOM 21 CA PRO 12 10.544 10.582 6.098 0.000 -ATOM 22 CB PRO 12 10.242 11.647 5.335 0.000 -ATOM 23 CA SER 13 10.245 7.313 8.012 0.000 -ATOM 24 CB SER 13 9.998 6.443 7.301 0.000 -ATOM 25 CA SER 14 13.000 5.437 9.837 0.000 -ATOM 26 CB SER 14 12.617 4.895 10.776 0.000 -ATOM 27 CA GLY 15 14.751 2.420 8.330 0.000 -ATOM 28 CA ARG 16 13.045 -0.973 8.466 0.000 -ATOM 29 CB ARG 16 11.342 1.017 6.963 0.000 -ATOM 30 CA PRO 17 14.380 -4.361 7.381 0.000 -ATOM 31 CB PRO 17 13.807 -4.672 8.557 0.000 -ATOM 32 CA PRO 18 14.133 -5.227 3.689 0.000 -ATOM 33 CB PRO 18 15.415 -5.615 3.811 0.000 -ATOM 34 CA PRO 19 11.855 -7.894 2.227 0.000 -ATOM 35 CB PRO 19 11.025 -7.165 1.460 0.000 -ATOM 36 CA SER 20 13.919 -8.270 -0.941 0.000 -ATOM 37 CB SER 20 13.803 -7.324 -1.585 0.000 -TER -CONECT 1 3 2 -CONECT 3 5 4 -CONECT 5 7 6 -CONECT 7 9 8 -CONECT 9 11 10 -CONECT 11 13 12 -CONECT 13 15 14 -CONECT 15 17 16 -CONECT 17 19 18 -CONECT 19 20 -CONECT 20 21 -CONECT 21 23 22 -CONECT 23 25 24 -CONECT 25 27 26 -CONECT 27 28 -CONECT 28 30 29 -CONECT 30 32 31 -CONECT 32 34 33 -CONECT 34 36 35 -CONECT 36 37 -ENDMDL diff --git a/examples/unres/CSA/GAB/CSA/1l2y_csa@011.pdb b/examples/unres/CSA/GAB/CSA/1l2y_csa@011.pdb deleted file mode 100644 index 886c9d2..0000000 --- a/examples/unres/CSA/GAB/CSA/1l2y_csa@011.pdb +++ /dev/null @@ -1,60 +0,0 @@ -REMARK GM 11 e 237337 m 583 ENERGY -7.17417E+01 -ATOM 1 CA ASN 1 3.800 0.000 0.000 0.000 -ATOM 2 CB ASN 1 5.398 0.373 0.379 0.000 -ATOM 3 CA LEU 2 4.056 -3.791 0.000 0.000 -ATOM 4 CB LEU 2 3.607 -5.381 1.015 0.000 -ATOM 5 CA TYR 3 5.224 -5.026 -3.399 0.000 -ATOM 6 CB TYR 3 5.644 -3.723 -5.471 0.000 -ATOM 7 CA ILE 4 5.375 -8.648 -2.258 0.000 -ATOM 8 CB ILE 4 6.397 -9.132 -0.888 0.000 -ATOM 9 CA GLN 5 1.689 -9.100 -3.062 0.000 -ATOM 10 CB GLN 5 0.633 -7.673 -1.695 0.000 -ATOM 11 CA TRP 6 2.190 -7.309 -6.376 0.000 -ATOM 12 CB TRP 6 3.630 -6.093 -8.174 0.000 -ATOM 13 CA LEU 7 4.540 -10.029 -7.606 0.000 -ATOM 14 CB LEU 7 5.578 -10.872 -6.202 0.000 -ATOM 15 CA LYS 8 2.166 -10.843 -10.459 0.000 -ATOM 16 CB LYS 8 0.679 -10.313 -8.469 0.000 -ATOM 17 CA ASP 9 3.828 -8.292 -12.734 0.000 -ATOM 18 CB ASP 9 3.084 -6.770 -12.510 0.000 -ATOM 19 CA GLY 10 7.008 -7.957 -10.681 0.000 -ATOM 20 CA GLY 11 8.286 -5.065 -8.574 0.000 -ATOM 21 CA PRO 12 8.097 -2.206 -11.070 0.000 -ATOM 22 CB PRO 12 9.356 -1.767 -10.895 0.000 -ATOM 23 CA SER 13 9.238 -4.431 -13.932 0.000 -ATOM 24 CB SER 13 9.910 -3.931 -14.720 0.000 -ATOM 25 CA SER 14 12.008 -5.983 -11.844 0.000 -ATOM 26 CB SER 14 12.133 -5.313 -10.918 0.000 -ATOM 27 CA GLY 15 11.954 -9.283 -9.961 0.000 -ATOM 28 CA ARG 16 10.337 -10.140 -6.630 0.000 -ATOM 29 CB ARG 16 10.180 -10.982 -3.734 0.000 -ATOM 30 CA PRO 17 10.069 -7.275 -4.148 0.000 -ATOM 31 CB PRO 17 8.874 -7.201 -4.760 0.000 -ATOM 32 CA PRO 18 11.141 -7.894 -0.556 0.000 -ATOM 33 CB PRO 18 12.419 -7.526 -0.758 0.000 -ATOM 34 CA PRO 19 9.746 -4.837 1.218 0.000 -ATOM 35 CB PRO 19 8.764 -5.053 0.325 0.000 -ATOM 36 CA SER 20 10.885 -4.316 4.806 0.000 -ATOM 37 CB SER 20 11.963 -4.643 5.036 0.000 -TER -CONECT 1 3 2 -CONECT 3 5 4 -CONECT 5 7 6 -CONECT 7 9 8 -CONECT 9 11 10 -CONECT 11 13 12 -CONECT 13 15 14 -CONECT 15 17 16 -CONECT 17 19 18 -CONECT 19 20 -CONECT 20 21 -CONECT 21 23 22 -CONECT 23 25 24 -CONECT 25 27 26 -CONECT 27 28 -CONECT 28 30 29 -CONECT 30 32 31 -CONECT 32 34 33 -CONECT 34 36 35 -CONECT 36 37 -ENDMDL diff --git a/examples/unres/CSA/GAB/CSA/1l2y_csa@012.pdb b/examples/unres/CSA/GAB/CSA/1l2y_csa@012.pdb deleted file mode 100644 index 6a3506e..0000000 --- a/examples/unres/CSA/GAB/CSA/1l2y_csa@012.pdb +++ /dev/null @@ -1,60 +0,0 @@ -REMARK GM 12 e 251121 m 636 ENERGY -7.24014E+01 -ATOM 1 CA ASN 1 3.800 0.000 0.000 0.000 -ATOM 2 CB ASN 1 5.285 0.705 0.367 0.000 -ATOM 3 CA LEU 2 5.508 -3.395 0.000 0.000 -ATOM 4 CB LEU 2 5.606 -5.273 -0.471 0.000 -ATOM 5 CA TYR 3 9.239 -2.684 -0.125 0.000 -ATOM 6 CB TYR 3 10.000 -0.648 1.078 0.000 -ATOM 7 CA ILE 4 10.110 -6.326 0.519 0.000 -ATOM 8 CB ILE 4 9.486 -7.176 1.948 0.000 -ATOM 9 CA GLN 5 9.871 -7.096 -3.195 0.000 -ATOM 10 CB GLN 5 8.491 -5.489 -3.922 0.000 -ATOM 11 CA TRP 6 12.132 -4.142 -3.973 0.000 -ATOM 12 CB TRP 6 12.606 -2.168 -2.340 0.000 -ATOM 13 CA LEU 7 14.827 -5.405 -1.612 0.000 -ATOM 14 CB LEU 7 14.471 -6.529 -0.072 0.000 -ATOM 15 CA LYS 8 17.541 -4.421 -4.083 0.000 -ATOM 16 CB LYS 8 15.662 -5.258 -5.575 0.000 -ATOM 17 CA ASP 9 17.859 -0.987 -2.488 0.000 -ATOM 18 CB ASP 9 16.500 -0.064 -2.959 0.000 -ATOM 19 CA GLY 10 15.953 -1.930 0.661 0.000 -ATOM 20 CA GLY 11 13.961 0.188 3.107 0.000 -ATOM 21 CA PRO 12 14.578 3.594 1.538 0.000 -ATOM 22 CB PRO 12 14.312 4.158 2.730 0.000 -ATOM 23 CA SER 13 18.297 2.839 1.346 0.000 -ATOM 24 CB SER 13 19.000 3.694 1.656 0.000 -ATOM 25 CA SER 14 18.297 0.980 4.660 0.000 -ATOM 26 CB SER 14 17.292 1.199 5.174 0.000 -ATOM 27 CA GLY 15 18.280 -2.791 5.127 0.000 -ATOM 28 CA ARG 16 15.459 -5.270 4.551 0.000 -ATOM 29 CB ARG 16 13.323 -7.281 5.272 0.000 -ATOM 30 CA PRO 17 11.932 -3.877 4.798 0.000 -ATOM 31 CB PRO 17 12.220 -3.628 3.508 0.000 -ATOM 32 CA PRO 18 9.306 -5.757 6.800 0.000 -ATOM 33 CB PRO 18 9.564 -5.149 7.971 0.000 -ATOM 34 CA PRO 19 6.174 -3.927 5.667 0.000 -ATOM 35 CB PRO 19 6.885 -3.859 4.527 0.000 -ATOM 36 CA SER 20 3.014 -4.750 7.610 0.000 -ATOM 37 CB SER 20 3.160 -4.969 8.730 0.000 -TER -CONECT 1 3 2 -CONECT 3 5 4 -CONECT 5 7 6 -CONECT 7 9 8 -CONECT 9 11 10 -CONECT 11 13 12 -CONECT 13 15 14 -CONECT 15 17 16 -CONECT 17 19 18 -CONECT 19 20 -CONECT 20 21 -CONECT 21 23 22 -CONECT 23 25 24 -CONECT 25 27 26 -CONECT 27 28 -CONECT 28 30 29 -CONECT 30 32 31 -CONECT 32 34 33 -CONECT 34 36 35 -CONECT 36 37 -ENDMDL diff --git a/examples/unres/CSA/GAB/CSA/1l2y_csa@013.pdb b/examples/unres/CSA/GAB/CSA/1l2y_csa@013.pdb deleted file mode 100644 index f182550..0000000 --- a/examples/unres/CSA/GAB/CSA/1l2y_csa@013.pdb +++ /dev/null @@ -1,60 +0,0 @@ -REMARK GM 13 e 253661 m 643 ENERGY -7.33958E+01 -ATOM 1 CA ASN 1 3.800 0.000 0.000 0.000 -ATOM 2 CB ASN 1 5.376 0.436 0.403 0.000 -ATOM 3 CA LEU 2 4.053 -3.792 0.000 0.000 -ATOM 4 CB LEU 2 3.659 -5.347 1.089 0.000 -ATOM 5 CA TYR 3 5.030 -5.054 -3.448 0.000 -ATOM 6 CB TYR 3 5.342 -3.766 -5.550 0.000 -ATOM 7 CA ILE 4 5.221 -8.675 -2.314 0.000 -ATOM 8 CB ILE 4 6.079 -9.172 -0.840 0.000 -ATOM 9 CA GLN 5 1.512 -9.152 -2.985 0.000 -ATOM 10 CB GLN 5 1.011 -9.020 -0.806 0.000 -ATOM 11 CA TRP 6 1.831 -7.137 -6.191 0.000 -ATOM 12 CB TRP 6 2.532 -5.767 -8.293 0.000 -ATOM 13 CA LEU 7 4.755 -9.294 -7.302 0.000 -ATOM 14 CB LEU 7 6.347 -8.243 -6.957 0.000 -ATOM 15 CA LYS 8 2.359 -12.155 -8.017 0.000 -ATOM 16 CB LYS 8 0.933 -11.300 -6.096 0.000 -ATOM 17 CA ASP 9 -0.126 -9.777 -9.634 0.000 -ATOM 18 CB ASP 9 -0.840 -8.793 -8.433 0.000 -ATOM 19 CA GLY 10 2.255 -9.007 -12.494 0.000 -ATOM 20 CA GLY 11 5.520 -7.427 -11.360 0.000 -ATOM 21 CA PRO 12 6.569 -3.781 -11.152 0.000 -ATOM 22 CB PRO 12 7.533 -4.305 -10.374 0.000 -ATOM 23 CA SER 13 6.650 -3.433 -14.935 0.000 -ATOM 24 CB SER 13 7.785 -3.391 -14.757 0.000 -ATOM 25 CA SER 14 2.944 -4.202 -15.280 0.000 -ATOM 26 CB SER 14 3.134 -4.888 -14.376 0.000 -ATOM 27 CA GLY 15 2.371 -1.765 -18.139 0.000 -ATOM 28 CA ARG 16 2.899 1.358 -16.039 0.000 -ATOM 29 CB ARG 16 3.566 -0.051 -13.453 0.000 -ATOM 30 CA PRO 17 6.061 2.701 -14.414 0.000 -ATOM 31 CB PRO 17 5.547 3.827 -14.940 0.000 -ATOM 32 CA PRO 18 6.910 1.737 -10.838 0.000 -ATOM 33 CB PRO 18 7.446 0.604 -11.327 0.000 -ATOM 34 CA PRO 19 9.433 4.551 -10.441 0.000 -ATOM 35 CB PRO 19 8.904 5.051 -11.572 0.000 -ATOM 36 CA SER 20 7.484 6.197 -7.625 0.000 -ATOM 37 CB SER 20 6.460 6.619 -7.935 0.000 -TER -CONECT 1 3 2 -CONECT 3 5 4 -CONECT 5 7 6 -CONECT 7 9 8 -CONECT 9 11 10 -CONECT 11 13 12 -CONECT 13 15 14 -CONECT 15 17 16 -CONECT 17 19 18 -CONECT 19 20 -CONECT 20 21 -CONECT 21 23 22 -CONECT 23 25 24 -CONECT 25 27 26 -CONECT 27 28 -CONECT 28 30 29 -CONECT 30 32 31 -CONECT 32 34 33 -CONECT 34 36 35 -CONECT 36 37 -ENDMDL diff --git a/examples/unres/CSA/GAB/CSA/1l2y_csa@014.pdb b/examples/unres/CSA/GAB/CSA/1l2y_csa@014.pdb deleted file mode 100644 index e76547f..0000000 --- a/examples/unres/CSA/GAB/CSA/1l2y_csa@014.pdb +++ /dev/null @@ -1,62 +0,0 @@ -REMARK GM 14 e 295608 m 767 ENERGY -7.86744E+01 -SHEET 1 B1 2 GLN 5 LEU 7 0 -SHEET 2 B1 2 GLY 10 PRO 12 -1 N PRO 12 O GLN 5 -ATOM 1 CA ASN 1 3.800 0.000 0.000 0.000 -ATOM 2 CB ASN 1 4.362 0.348 1.549 0.000 -ATOM 3 CA LEU 2 5.650 -3.319 0.000 0.000 -ATOM 4 CB LEU 2 6.835 -4.600 -0.846 0.000 -ATOM 5 CA TYR 3 6.709 -4.424 3.478 0.000 -ATOM 6 CB TYR 3 4.462 -5.404 3.877 0.000 -ATOM 7 CA ILE 4 8.041 -7.733 2.169 0.000 -ATOM 8 CB ILE 4 6.990 -9.123 1.826 0.000 -ATOM 9 CA GLN 5 10.723 -5.946 0.156 0.000 -ATOM 10 CB GLN 5 11.852 -4.352 -0.941 0.000 -ATOM 11 CA TRP 6 11.020 -3.313 2.879 0.000 -ATOM 12 CB TRP 6 12.432 -1.728 4.390 0.000 -ATOM 13 CA LEU 7 11.751 -5.959 5.507 0.000 -ATOM 14 CB LEU 7 9.919 -5.777 6.116 0.000 -ATOM 15 CA LYS 8 13.869 -8.037 3.133 0.000 -ATOM 16 CB LYS 8 12.640 -8.458 0.949 0.000 -ATOM 17 CA ASP 9 16.983 -7.265 5.170 0.000 -ATOM 18 CB ASP 9 18.332 -8.049 4.475 0.000 -ATOM 19 CA GLY 10 15.689 -3.761 5.868 0.000 -ATOM 20 CA GLY 11 15.309 -2.823 2.205 0.000 -ATOM 21 CA PRO 12 15.995 -5.717 -0.160 0.000 -ATOM 22 CB PRO 12 16.319 -4.819 -1.107 0.000 -ATOM 23 CA SER 13 19.294 -6.254 1.648 0.000 -ATOM 24 CB SER 13 20.212 -6.418 0.975 0.000 -ATOM 25 CA SER 14 19.827 -2.547 2.289 0.000 -ATOM 26 CB SER 14 19.130 -1.976 1.575 0.000 -ATOM 27 CA GLY 15 19.173 -0.435 5.380 0.000 -ATOM 28 CA ARG 16 16.326 1.589 3.884 0.000 -ATOM 29 CB ARG 16 14.279 0.631 1.881 0.000 -ATOM 30 CA PRO 17 13.546 3.336 5.798 0.000 -ATOM 31 CB PRO 17 13.491 3.993 4.625 0.000 -ATOM 32 CA PRO 18 10.973 1.119 7.502 0.000 -ATOM 33 CB PRO 18 11.206 1.926 8.552 0.000 -ATOM 34 CA PRO 19 7.462 0.841 6.074 0.000 -ATOM 35 CB PRO 19 7.927 -0.334 5.613 0.000 -ATOM 36 CA SER 20 4.487 1.122 8.421 0.000 -ATOM 37 CB SER 20 4.324 2.257 8.339 0.000 -TER -CONECT 1 3 2 -CONECT 3 5 4 -CONECT 5 7 6 -CONECT 7 9 8 -CONECT 9 11 10 -CONECT 11 13 12 -CONECT 13 15 14 -CONECT 15 17 16 -CONECT 17 19 18 -CONECT 19 20 -CONECT 20 21 -CONECT 21 23 22 -CONECT 23 25 24 -CONECT 25 27 26 -CONECT 27 28 -CONECT 28 30 29 -CONECT 30 32 31 -CONECT 32 34 33 -CONECT 34 36 35 -CONECT 36 37 -ENDMDL diff --git a/examples/unres/CSA/GAB/CSA/1l2y_csa@015.pdb b/examples/unres/CSA/GAB/CSA/1l2y_csa@015.pdb deleted file mode 100644 index c9b8170..0000000 --- a/examples/unres/CSA/GAB/CSA/1l2y_csa@015.pdb +++ /dev/null @@ -1,61 +0,0 @@ -REMARK GM 15 e 417870 m 1118 ENERGY -7.87462E+01 -HELIX 1 H1 LEU 2 ASP 9 1 7 -ATOM 1 CA ASN 1 3.800 0.000 0.000 0.000 -ATOM 2 CB ASN 1 5.259 0.817 0.200 0.000 -ATOM 3 CA LEU 2 5.436 -3.430 0.000 0.000 -ATOM 4 CB LEU 2 5.653 -5.221 -0.711 0.000 -ATOM 5 CA TYR 3 8.850 -1.914 -0.701 0.000 -ATOM 6 CB TYR 3 9.659 -3.818 -2.077 0.000 -ATOM 7 CA ILE 4 9.233 -0.876 2.934 0.000 -ATOM 8 CB ILE 4 8.799 0.742 3.523 0.000 -ATOM 9 CA GLN 5 8.019 -4.298 4.055 0.000 -ATOM 10 CB GLN 5 7.125 -6.226 3.347 0.000 -ATOM 11 CA TRP 6 10.525 -5.939 1.716 0.000 -ATOM 12 CB TRP 6 9.854 -7.574 -0.197 0.000 -ATOM 13 CA LEU 7 13.251 -3.553 2.865 0.000 -ATOM 14 CB LEU 7 13.505 -1.851 1.972 0.000 -ATOM 15 CA LYS 8 12.362 -4.250 6.494 0.000 -ATOM 16 CB LYS 8 10.530 -2.545 6.932 0.000 -ATOM 17 CA ASP 9 12.341 -8.004 5.904 0.000 -ATOM 18 CB ASP 9 12.457 -8.132 4.204 0.000 -ATOM 19 CA GLY 10 16.119 -8.240 6.243 0.000 -ATOM 20 CA GLY 11 16.780 -8.667 2.526 0.000 -ATOM 21 CA PRO 12 16.820 -6.906 -0.841 0.000 -ATOM 22 CB PRO 12 16.822 -8.063 -1.527 0.000 -ATOM 23 CA SER 13 14.076 -5.194 -2.835 0.000 -ATOM 24 CB SER 13 13.636 -4.432 -2.095 0.000 -ATOM 25 CA SER 14 14.102 -3.037 -5.964 0.000 -ATOM 26 CB SER 14 14.580 -3.524 -6.889 0.000 -ATOM 27 CA GLY 15 10.655 -2.460 -7.455 0.000 -ATOM 28 CA ARG 16 10.017 -6.110 -8.295 0.000 -ATOM 29 CB ARG 16 12.540 -6.689 -6.739 0.000 -ATOM 30 CA PRO 17 9.455 -8.837 -5.708 0.000 -ATOM 31 CB PRO 17 8.745 -9.398 -6.704 0.000 -ATOM 32 CA PRO 18 12.409 -10.753 -4.279 0.000 -ATOM 33 CB PRO 18 12.662 -9.679 -3.509 0.000 -ATOM 34 CA PRO 19 10.433 -13.542 -2.620 0.000 -ATOM 35 CB PRO 19 9.690 -13.348 -3.724 0.000 -ATOM 36 CA SER 20 12.432 -15.808 -0.316 0.000 -ATOM 37 CB SER 20 13.276 -15.290 0.269 0.000 -TER -CONECT 1 3 2 -CONECT 3 5 4 -CONECT 5 7 6 -CONECT 7 9 8 -CONECT 9 11 10 -CONECT 11 13 12 -CONECT 13 15 14 -CONECT 15 17 16 -CONECT 17 19 18 -CONECT 19 20 -CONECT 20 21 -CONECT 21 23 22 -CONECT 23 25 24 -CONECT 25 27 26 -CONECT 27 28 -CONECT 28 30 29 -CONECT 30 32 31 -CONECT 32 34 33 -CONECT 34 36 35 -CONECT 36 37 -ENDMDL diff --git a/examples/unres/CSA/GAB/CSA/1l2y_csa@016.pdb b/examples/unres/CSA/GAB/CSA/1l2y_csa@016.pdb deleted file mode 100644 index 5a26c11..0000000 --- a/examples/unres/CSA/GAB/CSA/1l2y_csa@016.pdb +++ /dev/null @@ -1,61 +0,0 @@ -REMARK GM 16 e 431972 m 1164 ENERGY -7.96197E+01 -HELIX 1 H1 LEU 2 GLY 10 1 8 -ATOM 1 CA ASN 1 3.800 0.000 0.000 0.000 -ATOM 2 CB ASN 1 5.251 0.824 0.227 0.000 -ATOM 3 CA LEU 2 5.421 -3.437 0.000 0.000 -ATOM 4 CB LEU 2 5.623 -5.278 -0.573 0.000 -ATOM 5 CA TYR 3 8.811 -1.954 -0.865 0.000 -ATOM 6 CB TYR 3 9.525 -3.988 -2.100 0.000 -ATOM 7 CA ILE 4 9.358 -0.963 2.763 0.000 -ATOM 8 CB ILE 4 8.877 0.591 3.475 0.000 -ATOM 9 CA GLN 5 8.365 -4.470 3.837 0.000 -ATOM 10 CB GLN 5 6.222 -3.826 3.930 0.000 -ATOM 11 CA TRP 6 10.604 -5.925 1.133 0.000 -ATOM 12 CB TRP 6 11.953 -7.566 -0.374 0.000 -ATOM 13 CA LEU 7 13.392 -3.521 2.075 0.000 -ATOM 14 CB LEU 7 13.264 -2.531 0.413 0.000 -ATOM 15 CA LYS 8 12.935 -4.367 5.751 0.000 -ATOM 16 CB LYS 8 11.673 -2.306 6.535 0.000 -ATOM 17 CA ASP 9 12.801 -8.089 5.000 0.000 -ATOM 18 CB ASP 9 11.334 -8.311 4.151 0.000 -ATOM 19 CA GLY 10 16.531 -8.180 4.282 0.000 -ATOM 20 CA GLY 11 16.138 -8.397 0.508 0.000 -ATOM 21 CA PRO 12 18.287 -7.402 -2.463 0.000 -ATOM 22 CB PRO 12 17.320 -7.990 -3.190 0.000 -ATOM 23 CA SER 13 18.284 -3.654 -1.836 0.000 -ATOM 24 CB SER 13 17.575 -3.945 -0.978 0.000 -ATOM 25 CA SER 14 20.831 -2.946 -4.566 0.000 -ATOM 26 CB SER 14 21.191 -3.870 -5.147 0.000 -ATOM 27 CA GLY 15 18.170 -1.808 -7.029 0.000 -ATOM 28 CA ARG 16 14.785 -2.202 -5.349 0.000 -ATOM 29 CB ARG 16 11.792 -1.921 -5.052 0.000 -ATOM 30 CA PRO 17 13.366 -5.723 -5.162 0.000 -ATOM 31 CB PRO 17 13.802 -5.533 -3.904 0.000 -ATOM 32 CA PRO 18 10.162 -6.520 -7.044 0.000 -ATOM 33 CB PRO 18 10.788 -7.656 -7.400 0.000 -ATOM 34 CA PRO 19 6.885 -7.087 -5.206 0.000 -ATOM 35 CB PRO 19 6.917 -5.743 -5.192 0.000 -ATOM 36 CA SER 20 4.685 -9.965 -6.356 0.000 -ATOM 37 CB SER 20 4.117 -10.515 -5.521 0.000 -TER -CONECT 1 3 2 -CONECT 3 5 4 -CONECT 5 7 6 -CONECT 7 9 8 -CONECT 9 11 10 -CONECT 11 13 12 -CONECT 13 15 14 -CONECT 15 17 16 -CONECT 17 19 18 -CONECT 19 20 -CONECT 20 21 -CONECT 21 23 22 -CONECT 23 25 24 -CONECT 25 27 26 -CONECT 27 28 -CONECT 28 30 29 -CONECT 30 32 31 -CONECT 32 34 33 -CONECT 34 36 35 -CONECT 36 37 -ENDMDL diff --git a/examples/unres/CSA/GAB/CSA/1l2y_csa@017.pdb b/examples/unres/CSA/GAB/CSA/1l2y_csa@017.pdb deleted file mode 100644 index 2d202f1..0000000 --- a/examples/unres/CSA/GAB/CSA/1l2y_csa@017.pdb +++ /dev/null @@ -1,61 +0,0 @@ -REMARK GM 17 e 597485 m 1680 ENERGY -8.02555E+01 -HELIX 1 H1 TYR 3 GLY 10 1 7 -ATOM 1 CA ASN 1 3.800 0.000 0.000 0.000 -ATOM 2 CB ASN 1 5.245 0.780 0.372 0.000 -ATOM 3 CA LEU 2 5.371 -3.460 0.000 0.000 -ATOM 4 CB LEU 2 5.884 -5.299 -0.338 0.000 -ATOM 5 CA TYR 3 8.670 -2.091 -1.297 0.000 -ATOM 6 CB TYR 3 9.482 -3.936 -2.749 0.000 -ATOM 7 CA ILE 4 9.797 -1.285 2.241 0.000 -ATOM 8 CB ILE 4 9.592 0.271 3.071 0.000 -ATOM 9 CA GLN 5 8.706 -4.740 3.388 0.000 -ATOM 10 CB GLN 5 6.687 -3.937 3.931 0.000 -ATOM 11 CA TRP 6 10.214 -6.271 0.254 0.000 -ATOM 12 CB TRP 6 10.487 -8.249 -1.420 0.000 -ATOM 13 CA LEU 7 13.433 -4.336 0.827 0.000 -ATOM 14 CB LEU 7 13.273 -2.840 -0.397 0.000 -ATOM 15 CA LYS 8 13.450 -5.428 4.467 0.000 -ATOM 16 CB LYS 8 12.512 -3.297 5.485 0.000 -ATOM 17 CA ASP 9 12.856 -9.037 3.438 0.000 -ATOM 18 CB ASP 9 11.230 -9.179 2.928 0.000 -ATOM 19 CA GLY 10 16.046 -9.078 1.374 0.000 -ATOM 20 CA GLY 11 14.325 -10.074 -1.864 0.000 -ATOM 21 CA PRO 12 14.710 -9.001 -5.489 0.000 -ATOM 22 CB PRO 12 13.480 -9.383 -5.877 0.000 -ATOM 23 CA SER 13 13.960 -5.288 -5.178 0.000 -ATOM 24 CB SER 13 13.770 -5.558 -4.076 0.000 -ATOM 25 CA SER 14 14.899 -4.550 -8.785 0.000 -ATOM 26 CB SER 14 15.240 -5.465 -9.393 0.000 -ATOM 27 CA GLY 15 11.288 -4.498 -9.967 0.000 -ATOM 28 CA ARG 16 8.394 -6.062 -8.065 0.000 -ATOM 29 CB ARG 16 6.077 -7.741 -9.030 0.000 -ATOM 30 CA PRO 17 8.544 -9.252 -6.005 0.000 -ATOM 31 CB PRO 17 7.841 -8.454 -5.181 0.000 -ATOM 32 CA PRO 18 8.172 -12.553 -7.850 0.000 -ATOM 33 CB PRO 18 9.325 -12.841 -7.221 0.000 -ATOM 34 CA PRO 19 4.996 -14.576 -7.339 0.000 -ATOM 35 CB PRO 19 4.486 -13.556 -8.054 0.000 -ATOM 36 CA SER 20 5.402 -18.338 -6.995 0.000 -ATOM 37 CB SER 20 4.688 -18.864 -6.263 0.000 -TER -CONECT 1 3 2 -CONECT 3 5 4 -CONECT 5 7 6 -CONECT 7 9 8 -CONECT 9 11 10 -CONECT 11 13 12 -CONECT 13 15 14 -CONECT 15 17 16 -CONECT 17 19 18 -CONECT 19 20 -CONECT 20 21 -CONECT 21 23 22 -CONECT 23 25 24 -CONECT 25 27 26 -CONECT 27 28 -CONECT 28 30 29 -CONECT 30 32 31 -CONECT 32 34 33 -CONECT 34 36 35 -CONECT 36 37 -ENDMDL diff --git a/examples/unres/CSA/GAB/CSA/1l2y_csa@018.pdb b/examples/unres/CSA/GAB/CSA/1l2y_csa@018.pdb deleted file mode 100644 index 4029e01..0000000 --- a/examples/unres/CSA/GAB/CSA/1l2y_csa@018.pdb +++ /dev/null @@ -1,60 +0,0 @@ -REMARK GM 18 e 700421 m 1997 ENERGY -8.38046E+01 -ATOM 1 CA ASN 1 3.800 0.000 0.000 0.000 -ATOM 2 CB ASN 1 4.256 1.447 0.730 0.000 -ATOM 3 CA LEU 2 4.040 -3.792 0.000 0.000 -ATOM 4 CB LEU 2 5.804 -4.494 0.399 0.000 -ATOM 5 CA TYR 3 1.092 -6.104 -0.633 0.000 -ATOM 6 CB TYR 3 -1.294 -5.587 -1.090 0.000 -ATOM 7 CA ILE 4 3.269 -9.197 -0.263 0.000 -ATOM 8 CB ILE 4 4.825 -9.345 -1.106 0.000 -ATOM 9 CA GLN 5 2.899 -9.061 3.516 0.000 -ATOM 10 CB GLN 5 3.443 -6.902 3.755 0.000 -ATOM 11 CA TRP 6 -0.818 -8.384 3.108 0.000 -ATOM 12 CB TRP 6 -2.922 -7.024 2.395 0.000 -ATOM 13 CA LEU 7 -1.093 -11.283 0.666 0.000 -ATOM 14 CB LEU 7 -1.567 -10.298 -0.935 0.000 -ATOM 15 CA LYS 8 -0.227 -13.714 3.455 0.000 -ATOM 16 CB LYS 8 1.701 -12.343 4.384 0.000 -ATOM 17 CA ASP 9 -2.366 -11.765 5.918 0.000 -ATOM 18 CB ASP 9 -1.354 -10.423 6.228 0.000 -ATOM 19 CA GLY 10 -5.564 -12.694 4.088 0.000 -ATOM 20 CA GLY 11 -5.962 -11.632 0.461 0.000 -ATOM 21 CA PRO 12 -5.463 -8.145 -0.964 0.000 -ATOM 22 CB PRO 12 -6.132 -8.141 -2.131 0.000 -ATOM 23 CA SER 13 -8.434 -6.700 0.914 0.000 -ATOM 24 CB SER 13 -8.766 -6.080 0.004 0.000 -ATOM 25 CA SER 14 -6.778 -7.284 4.284 0.000 -ATOM 26 CB SER 14 -6.524 -8.318 3.847 0.000 -ATOM 27 CA GLY 15 -6.458 -3.582 5.076 0.000 -ATOM 28 CA ARG 16 -4.560 -2.603 1.933 0.000 -ATOM 29 CB ARG 16 -1.612 -3.260 1.975 0.000 -ATOM 30 CA PRO 17 -5.767 -1.704 -1.556 0.000 -ATOM 31 CB PRO 17 -4.506 -1.240 -1.612 0.000 -ATOM 32 CA PRO 18 -7.091 -4.385 -3.901 0.000 -ATOM 33 CB PRO 18 -8.095 -3.511 -4.091 0.000 -ATOM 34 CA PRO 19 -4.919 -5.427 -6.840 0.000 -ATOM 35 CB PRO 19 -4.220 -5.973 -5.828 0.000 -ATOM 36 CA SER 20 -6.685 -6.046 -10.147 0.000 -ATOM 37 CB SER 20 -6.222 -5.432 -11.003 0.000 -TER -CONECT 1 3 2 -CONECT 3 5 4 -CONECT 5 7 6 -CONECT 7 9 8 -CONECT 9 11 10 -CONECT 11 13 12 -CONECT 13 15 14 -CONECT 15 17 16 -CONECT 17 19 18 -CONECT 19 20 -CONECT 20 21 -CONECT 21 23 22 -CONECT 23 25 24 -CONECT 25 27 26 -CONECT 27 28 -CONECT 28 30 29 -CONECT 30 32 31 -CONECT 32 34 33 -CONECT 34 36 35 -CONECT 36 37 -ENDMDL diff --git a/examples/unres/CSA/GAB/CSA/1l2y_csa@019.pdb b/examples/unres/CSA/GAB/CSA/1l2y_csa@019.pdb deleted file mode 100644 index e0c8918..0000000 --- a/examples/unres/CSA/GAB/CSA/1l2y_csa@019.pdb +++ /dev/null @@ -1,60 +0,0 @@ -REMARK GM 19 e 965794 m 2838 ENERGY -8.41936E+01 -ATOM 1 CA ASN 1 3.800 0.000 0.000 0.000 -ATOM 2 CB ASN 1 4.321 0.337 1.565 0.000 -ATOM 3 CA LEU 2 5.616 -3.338 0.000 0.000 -ATOM 4 CB LEU 2 5.936 -5.130 -0.669 0.000 -ATOM 5 CA TYR 3 8.977 -3.276 1.773 0.000 -ATOM 6 CB TYR 3 8.539 -1.091 2.871 0.000 -ATOM 7 CA ILE 4 11.209 -6.254 2.539 0.000 -ATOM 8 CB ILE 4 12.745 -6.598 1.716 0.000 -ATOM 9 CA GLN 5 9.070 -7.243 5.520 0.000 -ATOM 10 CB GLN 5 8.454 -5.629 6.945 0.000 -ATOM 11 CA TRP 6 6.119 -7.872 3.210 0.000 -ATOM 12 CB TRP 6 5.964 -5.338 3.795 0.000 -ATOM 13 CA LEU 7 8.432 -9.493 0.668 0.000 -ATOM 14 CB LEU 7 9.921 -9.504 -0.574 0.000 -ATOM 15 CA LYS 8 9.587 -12.001 3.279 0.000 -ATOM 16 CB LYS 8 11.643 -10.733 4.068 0.000 -ATOM 17 CA ASP 9 6.024 -13.172 3.888 0.000 -ATOM 18 CB ASP 9 4.929 -11.886 4.149 0.000 -ATOM 19 CA GLY 10 6.582 -16.245 1.723 0.000 -ATOM 20 CA GLY 11 9.659 -15.089 -0.184 0.000 -ATOM 21 CA PRO 12 7.786 -12.623 -2.386 0.000 -ATOM 22 CB PRO 12 8.345 -13.128 -3.500 0.000 -ATOM 23 CA SER 13 4.441 -14.300 -1.723 0.000 -ATOM 24 CB SER 13 4.912 -15.348 -1.759 0.000 -ATOM 25 CA SER 14 3.189 -11.537 0.565 0.000 -ATOM 26 CB SER 14 3.942 -10.672 0.648 0.000 -ATOM 27 CA GLY 15 0.179 -9.799 -0.971 0.000 -ATOM 28 CA ARG 16 2.166 -6.960 -2.531 0.000 -ATOM 29 CB ARG 16 2.012 -3.969 -2.142 0.000 -ATOM 30 CA PRO 17 4.870 -6.952 -5.201 0.000 -ATOM 31 CB PRO 17 4.499 -5.660 -5.258 0.000 -ATOM 32 CA PRO 18 8.344 -8.157 -4.242 0.000 -ATOM 33 CB PRO 18 8.172 -8.984 -5.289 0.000 -ATOM 34 CA PRO 19 11.261 -5.736 -3.979 0.000 -ATOM 35 CB PRO 19 10.680 -5.378 -2.819 0.000 -ATOM 36 CA SER 20 13.688 -8.118 -5.674 0.000 -ATOM 37 CB SER 20 13.379 -9.211 -5.493 0.000 -TER -CONECT 1 3 2 -CONECT 3 5 4 -CONECT 5 7 6 -CONECT 7 9 8 -CONECT 9 11 10 -CONECT 11 13 12 -CONECT 13 15 14 -CONECT 15 17 16 -CONECT 17 19 18 -CONECT 19 20 -CONECT 20 21 -CONECT 21 23 22 -CONECT 23 25 24 -CONECT 25 27 26 -CONECT 27 28 -CONECT 28 30 29 -CONECT 30 32 31 -CONECT 32 34 33 -CONECT 34 36 35 -CONECT 36 37 -ENDMDL diff --git a/examples/unres/CSA/GAB/CSA/1l2y_csa@020.pdb b/examples/unres/CSA/GAB/CSA/1l2y_csa@020.pdb deleted file mode 100644 index 7c5ff17..0000000 --- a/examples/unres/CSA/GAB/CSA/1l2y_csa@020.pdb +++ /dev/null @@ -1,60 +0,0 @@ -REMARK GM 20 e 1078117 m 3185 ENERGY -8.45522E+01 -ATOM 1 CA ASN 1 3.800 0.000 0.000 0.000 -ATOM 2 CB ASN 1 5.226 0.710 0.545 0.000 -ATOM 3 CA LEU 2 5.413 -3.440 0.000 0.000 -ATOM 4 CB LEU 2 5.318 -5.377 -0.040 0.000 -ATOM 5 CA TYR 3 9.151 -3.349 -0.682 0.000 -ATOM 6 CB TYR 3 9.395 -0.878 -0.627 0.000 -ATOM 7 CA ILE 4 11.661 -6.201 -0.724 0.000 -ATOM 8 CB ILE 4 12.347 -6.905 -2.203 0.000 -ATOM 9 CA GLN 5 12.000 -6.112 3.060 0.000 -ATOM 10 CB GLN 5 12.229 -4.133 4.086 0.000 -ATOM 11 CA TRP 6 8.298 -6.884 3.433 0.000 -ATOM 12 CB TRP 6 8.313 -4.303 3.079 0.000 -ATOM 13 CA LEU 7 8.496 -9.362 0.560 0.000 -ATOM 14 CB LEU 7 8.787 -9.798 -1.307 0.000 -ATOM 15 CA LYS 8 11.294 -11.236 2.319 0.000 -ATOM 16 CB LYS 8 13.297 -10.122 1.224 0.000 -ATOM 17 CA ASP 9 9.139 -11.821 5.395 0.000 -ATOM 18 CB ASP 9 8.361 -10.441 6.035 0.000 -ATOM 19 CA GLY 10 8.394 -15.378 4.287 0.000 -ATOM 20 CA GLY 11 9.329 -15.081 0.616 0.000 -ATOM 21 CA PRO 12 6.268 -13.046 -0.346 0.000 -ATOM 22 CB PRO 12 5.936 -13.918 -1.314 0.000 -ATOM 23 CA SER 13 4.364 -14.112 2.766 0.000 -ATOM 24 CB SER 13 4.761 -15.190 2.719 0.000 -ATOM 25 CA SER 14 4.745 -10.752 4.500 0.000 -ATOM 26 CB SER 14 5.247 -9.958 3.837 0.000 -ATOM 27 CA GLY 15 1.236 -9.374 4.981 0.000 -ATOM 28 CA ARG 16 1.214 -7.339 1.772 0.000 -ATOM 29 CB ARG 16 1.488 -4.341 1.529 0.000 -ATOM 30 CA PRO 17 1.570 -8.239 -1.903 0.000 -ATOM 31 CB PRO 17 1.034 -7.012 -2.027 0.000 -ATOM 32 CA PRO 18 5.022 -9.091 -3.245 0.000 -ATOM 33 CB PRO 18 4.408 -10.246 -3.560 0.000 -ATOM 34 CA PRO 19 6.765 -6.622 -5.548 0.000 -ATOM 35 CB PRO 19 7.483 -6.288 -4.461 0.000 -ATOM 36 CA SER 20 8.223 -9.363 -7.739 0.000 -ATOM 37 CB SER 20 8.320 -10.372 -7.196 0.000 -TER -CONECT 1 3 2 -CONECT 3 5 4 -CONECT 5 7 6 -CONECT 7 9 8 -CONECT 9 11 10 -CONECT 11 13 12 -CONECT 13 15 14 -CONECT 15 17 16 -CONECT 17 19 18 -CONECT 19 20 -CONECT 20 21 -CONECT 21 23 22 -CONECT 23 25 24 -CONECT 25 27 26 -CONECT 27 28 -CONECT 28 30 29 -CONECT 30 32 31 -CONECT 32 34 33 -CONECT 34 36 35 -CONECT 36 37 -ENDMDL diff --git a/examples/unres/CSA/GAB/CSA/1l2y_csa@021.pdb b/examples/unres/CSA/GAB/CSA/1l2y_csa@021.pdb deleted file mode 100644 index e936295..0000000 --- a/examples/unres/CSA/GAB/CSA/1l2y_csa@021.pdb +++ /dev/null @@ -1,61 +0,0 @@ -REMARK GM 21 e 1110077 m 3289 ENERGY -8.51711E+01 -HELIX 1 H1 TYR 3 GLY 10 1 7 -ATOM 1 CA ASN 1 3.800 0.000 0.000 0.000 -ATOM 2 CB ASN 1 5.266 0.744 0.363 0.000 -ATOM 3 CA LEU 2 5.512 -3.392 0.000 0.000 -ATOM 4 CB LEU 2 5.574 -5.251 -0.550 0.000 -ATOM 5 CA TYR 3 9.254 -2.743 0.151 0.000 -ATOM 6 CB TYR 3 9.805 -0.634 1.342 0.000 -ATOM 7 CA ILE 4 10.037 -6.404 0.807 0.000 -ATOM 8 CB ILE 4 9.090 -7.398 1.933 0.000 -ATOM 9 CA GLN 5 9.587 -7.139 -2.894 0.000 -ATOM 10 CB GLN 5 8.334 -5.668 -4.028 0.000 -ATOM 11 CA TRP 6 11.839 -4.182 -3.685 0.000 -ATOM 12 CB TRP 6 12.143 -1.967 -2.348 0.000 -ATOM 13 CA LEU 7 14.404 -5.597 -1.264 0.000 -ATOM 14 CB LEU 7 14.988 -4.648 0.322 0.000 -ATOM 15 CA LYS 8 14.469 -8.832 -3.256 0.000 -ATOM 16 CB LYS 8 12.956 -9.825 -1.473 0.000 -ATOM 17 CA ASP 9 14.665 -6.933 -6.542 0.000 -ATOM 18 CB ASP 9 14.088 -5.326 -6.477 0.000 -ATOM 19 CA GLY 10 18.179 -5.711 -5.768 0.000 -ATOM 20 CA GLY 11 18.724 -3.771 -2.547 0.000 -ATOM 21 CA PRO 12 16.297 -0.929 -3.237 0.000 -ATOM 22 CB PRO 12 16.295 -0.586 -1.936 0.000 -ATOM 23 CA SER 13 16.622 -1.026 -7.022 0.000 -ATOM 24 CB SER 13 16.627 -2.088 -7.463 0.000 -ATOM 25 CA SER 14 12.954 -0.178 -7.538 0.000 -ATOM 26 CB SER 14 12.357 -0.600 -6.650 0.000 -ATOM 27 CA GLY 15 11.151 3.166 -7.631 0.000 -ATOM 28 CA ARG 16 10.129 3.100 -3.972 0.000 -ATOM 29 CB ARG 16 9.108 0.337 -3.306 0.000 -ATOM 30 CA PRO 17 11.717 4.583 -0.854 0.000 -ATOM 31 CB PRO 17 10.526 4.229 -0.340 0.000 -ATOM 32 CA PRO 18 14.898 3.059 0.560 0.000 -ATOM 33 CB PRO 18 15.287 4.334 0.741 0.000 -ATOM 34 CA PRO 19 14.666 1.130 3.826 0.000 -ATOM 35 CB PRO 19 14.142 0.243 2.962 0.000 -ATOM 36 CA SER 20 17.445 1.637 6.368 0.000 -ATOM 37 CB SER 20 17.078 2.497 7.036 0.000 -TER -CONECT 1 3 2 -CONECT 3 5 4 -CONECT 5 7 6 -CONECT 7 9 8 -CONECT 9 11 10 -CONECT 11 13 12 -CONECT 13 15 14 -CONECT 15 17 16 -CONECT 17 19 18 -CONECT 19 20 -CONECT 20 21 -CONECT 21 23 22 -CONECT 23 25 24 -CONECT 25 27 26 -CONECT 27 28 -CONECT 28 30 29 -CONECT 30 32 31 -CONECT 32 34 33 -CONECT 34 36 35 -CONECT 36 37 -ENDMDL diff --git a/examples/unres/CSA/GAB/CSA/1l2y_csa@022.pdb b/examples/unres/CSA/GAB/CSA/1l2y_csa@022.pdb deleted file mode 100644 index 8f33d3f..0000000 --- a/examples/unres/CSA/GAB/CSA/1l2y_csa@022.pdb +++ /dev/null @@ -1,60 +0,0 @@ -REMARK GM 22 e 1241940 m 3700 ENERGY -8.54199E+01 -ATOM 1 CA ASN 1 3.800 0.000 0.000 0.000 -ATOM 2 CB ASN 1 4.354 0.234 1.573 0.000 -ATOM 3 CA LEU 2 4.046 -3.792 0.000 0.000 -ATOM 4 CB LEU 2 4.412 -5.550 0.731 0.000 -ATOM 5 CA TYR 3 1.248 -4.158 -2.545 0.000 -ATOM 6 CB TYR 3 -0.311 -2.448 -3.447 0.000 -ATOM 7 CA ILE 4 1.886 -7.880 -2.968 0.000 -ATOM 8 CB ILE 4 3.518 -8.526 -3.241 0.000 -ATOM 9 CA GLN 5 -0.337 -8.641 0.018 0.000 -ATOM 10 CB GLN 5 0.270 -7.201 1.623 0.000 -ATOM 11 CA TRP 6 -2.925 -6.200 -1.318 0.000 -ATOM 12 CB TRP 6 -3.893 -3.862 -1.934 0.000 -ATOM 13 CA LEU 7 -2.699 -7.812 -4.752 0.000 -ATOM 14 CB LEU 7 -1.888 -6.330 -5.703 0.000 -ATOM 15 CA LYS 8 -4.257 -10.988 -3.365 0.000 -ATOM 16 CB LYS 8 -2.757 -11.042 -1.314 0.000 -ATOM 17 CA ASP 9 -6.672 -8.962 -1.244 0.000 -ATOM 18 CB ASP 9 -5.624 -8.449 0.005 0.000 -ATOM 19 CA GLY 10 -8.488 -7.654 -4.315 0.000 -ATOM 20 CA GLY 11 -6.525 -5.593 -6.832 0.000 -ATOM 21 CA PRO 12 -4.315 -2.595 -6.076 0.000 -ATOM 22 CB PRO 12 -4.165 -1.954 -7.249 0.000 -ATOM 23 CA SER 13 -7.243 -0.387 -5.078 0.000 -ATOM 24 CB SER 13 -6.763 0.530 -5.579 0.000 -ATOM 25 CA SER 14 -8.089 -2.595 -2.104 0.000 -ATOM 26 CB SER 14 -7.952 -3.460 -2.849 0.000 -ATOM 27 CA GLY 15 -7.203 0.063 0.464 0.000 -ATOM 28 CA ARG 16 -3.642 0.675 -0.711 0.000 -ATOM 29 CB ARG 16 -1.551 -1.369 0.044 0.000 -ATOM 30 CA PRO 17 -2.267 2.964 -3.415 0.000 -ATOM 31 CB PRO 17 -1.134 2.672 -2.751 0.000 -ATOM 32 CA PRO 18 -2.766 2.117 -7.086 0.000 -ATOM 33 CB PRO 18 -3.151 3.403 -7.178 0.000 -ATOM 34 CA PRO 19 0.235 0.944 -9.100 0.000 -ATOM 35 CB PRO 19 0.038 -0.135 -8.322 0.000 -ATOM 36 CA SER 20 0.546 2.263 -12.650 0.000 -ATOM 37 CB SER 20 1.613 2.477 -13.023 0.000 -TER -CONECT 1 3 2 -CONECT 3 5 4 -CONECT 5 7 6 -CONECT 7 9 8 -CONECT 9 11 10 -CONECT 11 13 12 -CONECT 13 15 14 -CONECT 15 17 16 -CONECT 17 19 18 -CONECT 19 20 -CONECT 20 21 -CONECT 21 23 22 -CONECT 23 25 24 -CONECT 25 27 26 -CONECT 27 28 -CONECT 28 30 29 -CONECT 30 32 31 -CONECT 32 34 33 -CONECT 34 36 35 -CONECT 36 37 -ENDMDL diff --git a/examples/unres/CSA/GAB/CSA/1l2y_csa@023.pdb b/examples/unres/CSA/GAB/CSA/1l2y_csa@023.pdb deleted file mode 100644 index 3ece7b3..0000000 --- a/examples/unres/CSA/GAB/CSA/1l2y_csa@023.pdb +++ /dev/null @@ -1,60 +0,0 @@ -REMARK GM 23 e 1600668 m 4859 ENERGY -8.60202E+01 -ATOM 1 CA ASN 1 3.800 0.000 0.000 0.000 -ATOM 2 CB ASN 1 4.354 0.241 1.572 0.000 -ATOM 3 CA LEU 2 4.046 -3.792 0.000 0.000 -ATOM 4 CB LEU 2 3.985 -5.687 0.406 0.000 -ATOM 5 CA TYR 3 1.221 -4.106 -2.523 0.000 -ATOM 6 CB TYR 3 -0.240 -5.993 -1.835 0.000 -ATOM 7 CA ILE 4 3.682 -4.091 -5.418 0.000 -ATOM 8 CB ILE 4 4.114 -2.623 -6.319 0.000 -ATOM 9 CA GLN 5 5.850 -6.652 -3.634 0.000 -ATOM 10 CB GLN 5 7.120 -5.035 -2.745 0.000 -ATOM 11 CA TRP 6 2.753 -8.572 -2.555 0.000 -ATOM 12 CB TRP 6 1.028 -10.345 -1.739 0.000 -ATOM 13 CA LEU 7 1.412 -8.659 -6.109 0.000 -ATOM 14 CB LEU 7 0.245 -7.113 -6.186 0.000 -ATOM 15 CA LYS 8 4.688 -10.064 -7.426 0.000 -ATOM 16 CB LYS 8 5.619 -9.569 -5.114 0.000 -ATOM 17 CA ASP 9 2.760 -13.164 -8.483 0.000 -ATOM 18 CB ASP 9 3.824 -14.173 -9.360 0.000 -ATOM 19 CA GLY 10 0.675 -13.002 -5.310 0.000 -ATOM 20 CA GLY 11 3.641 -13.038 -2.935 0.000 -ATOM 21 CA PRO 12 7.043 -13.012 -4.628 0.000 -ATOM 22 CB PRO 12 7.517 -13.825 -3.667 0.000 -ATOM 23 CA SER 13 6.009 -15.688 -7.120 0.000 -ATOM 24 CB SER 13 6.785 -16.514 -7.318 0.000 -ATOM 25 CA SER 14 3.958 -17.578 -4.539 0.000 -ATOM 26 CB SER 14 4.333 -17.189 -3.524 0.000 -ATOM 27 CA GLY 15 0.266 -17.579 -3.640 0.000 -ATOM 28 CA ARG 16 0.737 -16.093 -0.174 0.000 -ATOM 29 CB ARG 16 2.255 -13.576 0.519 0.000 -ATOM 30 CA PRO 17 -1.871 -14.544 2.115 0.000 -ATOM 31 CB PRO 17 -0.965 -14.964 3.015 0.000 -ATOM 32 CA PRO 18 -3.204 -11.102 1.211 0.000 -ATOM 33 CB PRO 18 -4.390 -11.649 1.534 0.000 -ATOM 34 CA PRO 19 -1.937 -8.132 3.214 0.000 -ATOM 35 CB PRO 19 -0.808 -8.328 2.509 0.000 -ATOM 36 CA SER 20 -5.391 -6.591 3.583 0.000 -ATOM 37 CB SER 20 -6.131 -6.931 2.771 0.000 -TER -CONECT 1 3 2 -CONECT 3 5 4 -CONECT 5 7 6 -CONECT 7 9 8 -CONECT 9 11 10 -CONECT 11 13 12 -CONECT 13 15 14 -CONECT 15 17 16 -CONECT 17 19 18 -CONECT 19 20 -CONECT 20 21 -CONECT 21 23 22 -CONECT 23 25 24 -CONECT 25 27 26 -CONECT 27 28 -CONECT 28 30 29 -CONECT 30 32 31 -CONECT 32 34 33 -CONECT 34 36 35 -CONECT 36 37 -ENDMDL diff --git a/examples/unres/CSA/GAB/CSA/1l2y_csa@024.pdb b/examples/unres/CSA/GAB/CSA/1l2y_csa@024.pdb deleted file mode 100644 index 64822ec..0000000 --- a/examples/unres/CSA/GAB/CSA/1l2y_csa@024.pdb +++ /dev/null @@ -1,61 +0,0 @@ -REMARK GM 24 e 1727758 m 5270 ENERGY -8.94898E+01 -HELIX 1 H1 LEU 2 GLY 10 1 8 -ATOM 1 CA ASN 1 3.800 0.000 0.000 0.000 -ATOM 2 CB ASN 1 5.423 0.410 0.179 0.000 -ATOM 3 CA LEU 2 4.054 -3.792 0.000 0.000 -ATOM 4 CB LEU 2 3.293 -5.572 0.115 0.000 -ATOM 5 CA TYR 3 4.913 -3.829 -3.701 0.000 -ATOM 6 CB TYR 3 4.051 -6.114 -4.157 0.000 -ATOM 7 CA ILE 4 8.371 -2.417 -3.004 0.000 -ATOM 8 CB ILE 4 8.748 -0.681 -2.996 0.000 -ATOM 9 CA GLN 5 8.824 -4.896 -0.160 0.000 -ATOM 10 CB GLN 5 7.787 -3.484 1.236 0.000 -ATOM 11 CA TRP 6 7.498 -7.675 -2.387 0.000 -ATOM 12 CB TRP 6 6.205 -9.828 -3.077 0.000 -ATOM 13 CA LEU 7 9.729 -6.537 -5.246 0.000 -ATOM 14 CB LEU 7 8.269 -5.916 -6.361 0.000 -ATOM 15 CA LYS 8 12.691 -6.201 -2.889 0.000 -ATOM 16 CB LYS 8 12.757 -3.689 -2.511 0.000 -ATOM 17 CA ASP 9 11.976 -9.565 -1.274 0.000 -ATOM 18 CB ASP 9 10.633 -8.936 -0.425 0.000 -ATOM 19 CA GLY 10 13.324 -11.352 -4.345 0.000 -ATOM 20 CA GLY 11 10.872 -10.658 -7.164 0.000 -ATOM 21 CA PRO 12 7.939 -12.767 -5.984 0.000 -ATOM 22 CB PRO 12 7.157 -12.232 -6.938 0.000 -ATOM 23 CA SER 13 10.127 -15.069 -3.898 0.000 -ATOM 24 CB SER 13 11.254 -14.845 -3.858 0.000 -ATOM 25 CA SER 14 9.114 -13.445 -0.616 0.000 -ATOM 26 CB SER 14 8.741 -12.366 -0.756 0.000 -ATOM 27 CA GLY 15 6.126 -14.437 1.512 0.000 -ATOM 28 CA ARG 16 3.742 -11.940 -0.076 0.000 -ATOM 29 CB ARG 16 5.546 -9.638 0.676 0.000 -ATOM 30 CA PRO 17 1.397 -12.121 -3.060 0.000 -ATOM 31 CB PRO 17 0.974 -10.985 -2.477 0.000 -ATOM 32 CA PRO 18 2.805 -12.165 -6.589 0.000 -ATOM 33 CB PRO 18 1.995 -13.226 -6.756 0.000 -ATOM 34 CA PRO 19 2.265 -9.216 -8.923 0.000 -ATOM 35 CB PRO 19 3.426 -8.837 -8.359 0.000 -ATOM 36 CA SER 20 1.287 -9.926 -12.526 0.000 -ATOM 37 CB SER 20 0.140 -9.917 -12.442 0.000 -TER -CONECT 1 3 2 -CONECT 3 5 4 -CONECT 5 7 6 -CONECT 7 9 8 -CONECT 9 11 10 -CONECT 11 13 12 -CONECT 13 15 14 -CONECT 15 17 16 -CONECT 17 19 18 -CONECT 19 20 -CONECT 20 21 -CONECT 21 23 22 -CONECT 23 25 24 -CONECT 25 27 26 -CONECT 27 28 -CONECT 28 30 29 -CONECT 30 32 31 -CONECT 32 34 33 -CONECT 34 36 35 -CONECT 36 37 -ENDMDL diff --git a/examples/unres/CSA/GAB/CSA/1l2y_csa@025.pdb b/examples/unres/CSA/GAB/CSA/1l2y_csa@025.pdb deleted file mode 100644 index 1a48b12..0000000 --- a/examples/unres/CSA/GAB/CSA/1l2y_csa@025.pdb +++ /dev/null @@ -1,61 +0,0 @@ -REMARK GM 25 e 1849635 m 5670 ENERGY -8.96862E+01 -HELIX 1 H1 LEU 2 GLY 10 1 8 -ATOM 1 CA ASN 1 3.800 0.000 0.000 0.000 -ATOM 2 CB ASN 1 5.425 0.406 0.179 0.000 -ATOM 3 CA LEU 2 4.055 -3.791 0.000 0.000 -ATOM 4 CB LEU 2 3.298 -5.573 0.119 0.000 -ATOM 5 CA TYR 3 4.892 -3.829 -3.706 0.000 -ATOM 6 CB TYR 3 4.037 -6.116 -4.164 0.000 -ATOM 7 CA ILE 4 8.349 -2.404 -3.030 0.000 -ATOM 8 CB ILE 4 8.716 -0.666 -3.023 0.000 -ATOM 9 CA GLN 5 8.828 -4.878 -0.186 0.000 -ATOM 10 CB GLN 5 7.793 -3.469 1.215 0.000 -ATOM 11 CA TRP 6 7.500 -7.665 -2.402 0.000 -ATOM 12 CB TRP 6 6.208 -9.819 -3.092 0.000 -ATOM 13 CA LEU 7 9.709 -6.521 -5.275 0.000 -ATOM 14 CB LEU 7 8.239 -5.918 -6.386 0.000 -ATOM 15 CA LYS 8 12.683 -6.171 -2.936 0.000 -ATOM 16 CB LYS 8 12.741 -3.659 -2.561 0.000 -ATOM 17 CA ASP 9 11.989 -9.537 -1.314 0.000 -ATOM 18 CB ASP 9 10.649 -8.912 -0.457 0.000 -ATOM 19 CA GLY 10 13.318 -11.323 -4.394 0.000 -ATOM 20 CA GLY 11 10.845 -10.655 -7.200 0.000 -ATOM 21 CA PRO 12 7.935 -12.783 -5.999 0.000 -ATOM 22 CB PRO 12 7.142 -12.258 -6.951 0.000 -ATOM 23 CA SER 13 10.151 -15.062 -3.917 0.000 -ATOM 24 CB SER 13 11.276 -14.829 -3.884 0.000 -ATOM 25 CA SER 14 9.140 -13.431 -0.637 0.000 -ATOM 26 CB SER 14 8.766 -12.353 -0.780 0.000 -ATOM 27 CA GLY 15 6.158 -14.423 1.499 0.000 -ATOM 28 CA ARG 16 3.768 -11.930 -0.086 0.000 -ATOM 29 CB ARG 16 5.569 -9.625 0.665 0.000 -ATOM 30 CA PRO 17 1.402 -12.119 -3.054 0.000 -ATOM 31 CB PRO 17 0.986 -10.978 -2.476 0.000 -ATOM 32 CA PRO 18 2.785 -12.191 -6.592 0.000 -ATOM 33 CB PRO 18 1.967 -13.246 -6.749 0.000 -ATOM 34 CA PRO 19 2.255 -9.252 -8.942 0.000 -ATOM 35 CB PRO 19 3.411 -8.870 -8.368 0.000 -ATOM 36 CA SER 20 1.238 -9.987 -12.528 0.000 -ATOM 37 CB SER 20 0.285 -9.417 -12.826 0.000 -TER -CONECT 1 3 2 -CONECT 3 5 4 -CONECT 5 7 6 -CONECT 7 9 8 -CONECT 9 11 10 -CONECT 11 13 12 -CONECT 13 15 14 -CONECT 15 17 16 -CONECT 17 19 18 -CONECT 19 20 -CONECT 20 21 -CONECT 21 23 22 -CONECT 23 25 24 -CONECT 25 27 26 -CONECT 27 28 -CONECT 28 30 29 -CONECT 30 32 31 -CONECT 32 34 33 -CONECT 34 36 35 -CONECT 36 37 -ENDMDL diff --git a/examples/unres/CSA/GAB/CSA/1l2y_csa@026.pdb b/examples/unres/CSA/GAB/CSA/1l2y_csa@026.pdb deleted file mode 100644 index 9290fff..0000000 --- a/examples/unres/CSA/GAB/CSA/1l2y_csa@026.pdb +++ /dev/null @@ -1,61 +0,0 @@ -REMARK GM 26 e 1850370 m 5672 ENERGY -9.06365E+01 -HELIX 1 H1 LEU 2 GLY 10 1 8 -ATOM 1 CA ASN 1 3.800 0.000 0.000 0.000 -ATOM 2 CB ASN 1 5.421 0.415 0.188 0.000 -ATOM 3 CA LEU 2 4.056 -3.791 0.000 0.000 -ATOM 4 CB LEU 2 3.334 -5.584 0.160 0.000 -ATOM 5 CA TYR 3 4.791 -3.837 -3.728 0.000 -ATOM 6 CB TYR 3 3.899 -6.120 -4.134 0.000 -ATOM 7 CA ILE 4 8.279 -2.449 -3.141 0.000 -ATOM 8 CB ILE 4 8.640 -0.711 -3.067 0.000 -ATOM 9 CA GLN 5 8.799 -4.914 -0.296 0.000 -ATOM 10 CB GLN 5 7.822 -3.488 1.128 0.000 -ATOM 11 CA TRP 6 7.393 -7.690 -2.477 0.000 -ATOM 12 CB TRP 6 6.024 -9.833 -3.043 0.000 -ATOM 13 CA LEU 7 9.480 -6.481 -5.413 0.000 -ATOM 14 CB LEU 7 7.915 -6.408 -6.556 0.000 -ATOM 15 CA LYS 8 12.565 -6.274 -3.204 0.000 -ATOM 16 CB LYS 8 12.646 -3.780 -2.727 0.000 -ATOM 17 CA ASP 9 11.861 -9.681 -1.674 0.000 -ATOM 18 CB ASP 9 10.605 -9.016 -0.725 0.000 -ATOM 19 CA GLY 10 13.028 -11.388 -4.862 0.000 -ATOM 20 CA GLY 11 10.566 -10.289 -7.540 0.000 -ATOM 21 CA PRO 12 7.456 -12.107 -6.330 0.000 -ATOM 22 CB PRO 12 6.652 -11.319 -7.065 0.000 -ATOM 23 CA SER 13 9.466 -14.896 -4.711 0.000 -ATOM 24 CB SER 13 10.609 -14.775 -4.754 0.000 -ATOM 25 CA SER 14 8.969 -13.565 -1.186 0.000 -ATOM 26 CB SER 14 8.682 -12.452 -1.166 0.000 -ATOM 27 CA GLY 15 6.245 -14.549 1.273 0.000 -ATOM 28 CA ARG 16 3.741 -11.967 0.046 0.000 -ATOM 29 CB ARG 16 5.599 -9.684 0.716 0.000 -ATOM 30 CA PRO 17 1.201 -12.163 -2.774 0.000 -ATOM 31 CB PRO 17 0.861 -10.968 -2.259 0.000 -ATOM 32 CA PRO 18 2.345 -12.223 -6.397 0.000 -ATOM 33 CB PRO 18 1.712 -13.408 -6.452 0.000 -ATOM 34 CA PRO 19 1.033 -9.599 -8.813 0.000 -ATOM 35 CB PRO 19 2.011 -8.788 -8.372 0.000 -ATOM 36 CA SER 20 -0.845 -12.159 -10.901 0.000 -ATOM 37 CB SER 20 -0.447 -13.226 -10.740 0.000 -TER -CONECT 1 3 2 -CONECT 3 5 4 -CONECT 5 7 6 -CONECT 7 9 8 -CONECT 9 11 10 -CONECT 11 13 12 -CONECT 13 15 14 -CONECT 15 17 16 -CONECT 17 19 18 -CONECT 19 20 -CONECT 20 21 -CONECT 21 23 22 -CONECT 23 25 24 -CONECT 25 27 26 -CONECT 27 28 -CONECT 28 30 29 -CONECT 30 32 31 -CONECT 32 34 33 -CONECT 34 36 35 -CONECT 36 37 -ENDMDL diff --git a/examples/unres/CSA/GAB/CSA/1l2y_csa@027.pdb b/examples/unres/CSA/GAB/CSA/1l2y_csa@027.pdb deleted file mode 100644 index 5a80800..0000000 --- a/examples/unres/CSA/GAB/CSA/1l2y_csa@027.pdb +++ /dev/null @@ -1,61 +0,0 @@ -REMARK GM 27 e 2503190 m 7797 ENERGY -9.07449E+01 -HELIX 1 H1 TYR 3 GLY 10 1 7 -ATOM 1 CA ASN 1 3.800 0.000 0.000 0.000 -ATOM 2 CB ASN 1 5.452 0.318 0.064 0.000 -ATOM 3 CA LEU 2 4.061 -3.791 0.000 0.000 -ATOM 4 CB LEU 2 3.745 -5.648 -0.458 0.000 -ATOM 5 CA TYR 3 6.274 -3.724 -3.089 0.000 -ATOM 6 CB TYR 3 6.181 -5.868 -4.340 0.000 -ATOM 7 CA ILE 4 9.402 -3.282 -0.977 0.000 -ATOM 8 CB ILE 4 10.219 -1.741 -0.644 0.000 -ATOM 9 CA GLN 5 8.160 -5.897 1.484 0.000 -ATOM 10 CB GLN 5 7.140 -4.208 2.546 0.000 -ATOM 11 CA TRP 6 7.171 -8.175 -1.392 0.000 -ATOM 12 CB TRP 6 6.725 -10.371 -2.720 0.000 -ATOM 13 CA LEU 7 10.474 -7.556 -3.167 0.000 -ATOM 14 CB LEU 7 10.548 -6.055 -4.392 0.000 -ATOM 15 CA LYS 8 12.403 -8.300 0.021 0.000 -ATOM 16 CB LYS 8 13.126 -5.901 0.443 0.000 -ATOM 17 CA ASP 9 10.026 -11.092 1.016 0.000 -ATOM 18 CB ASP 9 9.065 -10.098 2.021 0.000 -ATOM 19 CA GLY 10 10.717 -13.080 -2.148 0.000 -ATOM 20 CA GLY 11 9.561 -12.277 -5.678 0.000 -ATOM 21 CA PRO 12 6.263 -12.145 -7.560 0.000 -ATOM 22 CB PRO 12 6.498 -13.127 -8.449 0.000 -ATOM 23 CA SER 13 3.958 -14.750 -6.029 0.000 -ATOM 24 CB SER 13 3.432 -15.465 -6.760 0.000 -ATOM 25 CA SER 14 6.908 -17.013 -5.246 0.000 -ATOM 26 CB SER 14 7.848 -16.443 -5.584 0.000 -ATOM 27 CA GLY 15 7.171 -15.734 -1.678 0.000 -ATOM 28 CA ARG 16 4.631 -13.425 -0.048 0.000 -ATOM 29 CB ARG 16 5.136 -10.646 1.021 0.000 -ATOM 30 CA PRO 17 1.867 -11.665 -1.974 0.000 -ATOM 31 CB PRO 17 1.489 -11.258 -0.749 0.000 -ATOM 32 CA PRO 18 2.812 -8.998 -4.510 0.000 -ATOM 33 CB PRO 18 2.982 -10.092 -5.274 0.000 -ATOM 34 CA PRO 19 0.866 -5.919 -5.595 0.000 -ATOM 35 CB PRO 19 1.633 -5.094 -4.861 0.000 -ATOM 36 CA SER 20 3.125 -5.269 -8.581 0.000 -ATOM 37 CB SER 20 4.230 -5.480 -8.345 0.000 -TER -CONECT 1 3 2 -CONECT 3 5 4 -CONECT 5 7 6 -CONECT 7 9 8 -CONECT 9 11 10 -CONECT 11 13 12 -CONECT 13 15 14 -CONECT 15 17 16 -CONECT 17 19 18 -CONECT 19 20 -CONECT 20 21 -CONECT 21 23 22 -CONECT 23 25 24 -CONECT 25 27 26 -CONECT 27 28 -CONECT 28 30 29 -CONECT 30 32 31 -CONECT 32 34 33 -CONECT 34 36 35 -CONECT 36 37 -ENDMDL diff --git a/examples/unres/CSA/GAB/CSA/1l2y_csa@028.pdb b/examples/unres/CSA/GAB/CSA/1l2y_csa@028.pdb deleted file mode 100644 index 5b62abf..0000000 --- a/examples/unres/CSA/GAB/CSA/1l2y_csa@028.pdb +++ /dev/null @@ -1,61 +0,0 @@ -REMARK GM 28 e 2677496 m 8388 ENERGY -9.07464E+01 -HELIX 1 H1 TYR 3 GLY 10 1 7 -ATOM 1 CA ASN 1 3.800 0.000 0.000 0.000 -ATOM 2 CB ASN 1 5.452 0.319 0.060 0.000 -ATOM 3 CA LEU 2 4.063 -3.791 0.000 0.000 -ATOM 4 CB LEU 2 3.756 -5.652 -0.449 0.000 -ATOM 5 CA TYR 3 6.277 -3.723 -3.087 0.000 -ATOM 6 CB TYR 3 6.177 -5.869 -4.336 0.000 -ATOM 7 CA ILE 4 9.404 -3.278 -0.974 0.000 -ATOM 8 CB ILE 4 10.220 -1.736 -0.639 0.000 -ATOM 9 CA GLN 5 8.164 -5.895 1.485 0.000 -ATOM 10 CB GLN 5 7.140 -4.212 2.550 0.000 -ATOM 11 CA TRP 6 7.179 -8.173 -1.392 0.000 -ATOM 12 CB TRP 6 6.729 -10.373 -2.713 0.000 -ATOM 13 CA LEU 7 10.482 -7.552 -3.165 0.000 -ATOM 14 CB LEU 7 10.545 -6.051 -4.390 0.000 -ATOM 15 CA LYS 8 12.410 -8.295 0.024 0.000 -ATOM 16 CB LYS 8 13.129 -5.895 0.447 0.000 -ATOM 17 CA ASP 9 10.036 -11.091 1.017 0.000 -ATOM 18 CB ASP 9 9.082 -10.110 2.041 0.000 -ATOM 19 CA GLY 10 10.723 -13.077 -2.149 0.000 -ATOM 20 CA GLY 11 9.556 -12.277 -5.675 0.000 -ATOM 21 CA PRO 12 6.251 -12.147 -7.547 0.000 -ATOM 22 CB PRO 12 6.485 -13.128 -8.437 0.000 -ATOM 23 CA SER 13 3.954 -14.755 -6.010 0.000 -ATOM 24 CB SER 13 3.427 -15.470 -6.741 0.000 -ATOM 25 CA SER 14 6.909 -17.018 -5.244 0.000 -ATOM 26 CB SER 14 7.847 -16.448 -5.587 0.000 -ATOM 27 CA GLY 15 7.190 -15.742 -1.676 0.000 -ATOM 28 CA ARG 16 4.655 -13.434 -0.038 0.000 -ATOM 29 CB ARG 16 5.160 -10.655 1.033 0.000 -ATOM 30 CA PRO 17 1.878 -11.674 -1.944 0.000 -ATOM 31 CB PRO 17 1.509 -11.261 -0.718 0.000 -ATOM 32 CA PRO 18 2.807 -9.006 -4.484 0.000 -ATOM 33 CB PRO 18 2.976 -10.099 -5.249 0.000 -ATOM 34 CA PRO 19 0.854 -5.935 -5.578 0.000 -ATOM 35 CB PRO 19 1.624 -5.108 -4.848 0.000 -ATOM 36 CA SER 20 3.096 -5.304 -8.581 0.000 -ATOM 37 CB SER 20 4.198 -5.545 -8.355 0.000 -TER -CONECT 1 3 2 -CONECT 3 5 4 -CONECT 5 7 6 -CONECT 7 9 8 -CONECT 9 11 10 -CONECT 11 13 12 -CONECT 13 15 14 -CONECT 15 17 16 -CONECT 17 19 18 -CONECT 19 20 -CONECT 20 21 -CONECT 21 23 22 -CONECT 23 25 24 -CONECT 25 27 26 -CONECT 27 28 -CONECT 28 30 29 -CONECT 30 32 31 -CONECT 32 34 33 -CONECT 34 36 35 -CONECT 36 37 -ENDMDL diff --git a/examples/unres/CSA/GAB/CSA/1l2y_csa@029.pdb b/examples/unres/CSA/GAB/CSA/1l2y_csa@029.pdb deleted file mode 100644 index f503ca3..0000000 --- a/examples/unres/CSA/GAB/CSA/1l2y_csa@029.pdb +++ /dev/null @@ -1,61 +0,0 @@ -REMARK GM 29 e 2705963 m 8476 ENERGY -9.07467E+01 -HELIX 1 H1 TYR 3 GLY 10 1 7 -ATOM 1 CA ASN 1 3.800 0.000 0.000 0.000 -ATOM 2 CB ASN 1 5.452 0.320 0.060 0.000 -ATOM 3 CA LEU 2 4.063 -3.791 0.000 0.000 -ATOM 4 CB LEU 2 3.755 -5.652 -0.450 0.000 -ATOM 5 CA TYR 3 6.277 -3.723 -3.088 0.000 -ATOM 6 CB TYR 3 6.177 -5.869 -4.336 0.000 -ATOM 7 CA ILE 4 9.403 -3.277 -0.975 0.000 -ATOM 8 CB ILE 4 10.220 -1.736 -0.640 0.000 -ATOM 9 CA GLN 5 8.165 -5.896 1.485 0.000 -ATOM 10 CB GLN 5 7.139 -4.213 2.550 0.000 -ATOM 11 CA TRP 6 7.178 -8.173 -1.392 0.000 -ATOM 12 CB TRP 6 6.728 -10.373 -2.713 0.000 -ATOM 13 CA LEU 7 10.481 -7.551 -3.165 0.000 -ATOM 14 CB LEU 7 10.546 -6.050 -4.390 0.000 -ATOM 15 CA LYS 8 12.411 -8.295 0.022 0.000 -ATOM 16 CB LYS 8 13.131 -5.896 0.445 0.000 -ATOM 17 CA ASP 9 10.037 -11.090 1.017 0.000 -ATOM 18 CB ASP 9 9.082 -10.107 2.037 0.000 -ATOM 19 CA GLY 10 10.723 -13.078 -2.149 0.000 -ATOM 20 CA GLY 11 9.557 -12.278 -5.675 0.000 -ATOM 21 CA PRO 12 6.253 -12.147 -7.548 0.000 -ATOM 22 CB PRO 12 6.487 -13.128 -8.437 0.000 -ATOM 23 CA SER 13 3.954 -14.755 -6.012 0.000 -ATOM 24 CB SER 13 3.428 -15.469 -6.743 0.000 -ATOM 25 CA SER 14 6.909 -17.017 -5.244 0.000 -ATOM 26 CB SER 14 7.848 -16.449 -5.588 0.000 -ATOM 27 CA GLY 15 7.187 -15.741 -1.675 0.000 -ATOM 28 CA ARG 16 4.651 -13.433 -0.039 0.000 -ATOM 29 CB ARG 16 5.157 -10.655 1.032 0.000 -ATOM 30 CA PRO 17 1.876 -11.673 -1.947 0.000 -ATOM 31 CB PRO 17 1.507 -11.260 -0.721 0.000 -ATOM 32 CA PRO 18 2.806 -9.004 -4.487 0.000 -ATOM 33 CB PRO 18 2.976 -10.098 -5.252 0.000 -ATOM 34 CA PRO 19 0.856 -5.932 -5.581 0.000 -ATOM 35 CB PRO 19 1.626 -5.106 -4.849 0.000 -ATOM 36 CA SER 20 3.102 -5.300 -8.580 0.000 -ATOM 37 CB SER 20 4.205 -5.525 -8.349 0.000 -TER -CONECT 1 3 2 -CONECT 3 5 4 -CONECT 5 7 6 -CONECT 7 9 8 -CONECT 9 11 10 -CONECT 11 13 12 -CONECT 13 15 14 -CONECT 15 17 16 -CONECT 17 19 18 -CONECT 19 20 -CONECT 20 21 -CONECT 21 23 22 -CONECT 23 25 24 -CONECT 25 27 26 -CONECT 27 28 -CONECT 28 30 29 -CONECT 30 32 31 -CONECT 32 34 33 -CONECT 34 36 35 -CONECT 36 37 -ENDMDL diff --git a/examples/unres/CSA/GAB/CSA/1l2y_csa@030.pdb b/examples/unres/CSA/GAB/CSA/1l2y_csa@030.pdb deleted file mode 100644 index 7f20dca..0000000 --- a/examples/unres/CSA/GAB/CSA/1l2y_csa@030.pdb +++ /dev/null @@ -1,61 +0,0 @@ -REMARK GM 30 e 2731353 m 8558 ENERGY -9.07468E+01 -HELIX 1 H1 TYR 3 GLY 10 1 7 -ATOM 1 CA ASN 1 3.800 0.000 0.000 0.000 -ATOM 2 CB ASN 1 5.452 0.319 0.061 0.000 -ATOM 3 CA LEU 2 4.062 -3.791 0.000 0.000 -ATOM 4 CB LEU 2 3.754 -5.651 -0.452 0.000 -ATOM 5 CA TYR 3 6.277 -3.724 -3.087 0.000 -ATOM 6 CB TYR 3 6.179 -5.869 -4.335 0.000 -ATOM 7 CA ILE 4 9.403 -3.278 -0.973 0.000 -ATOM 8 CB ILE 4 10.220 -1.736 -0.639 0.000 -ATOM 9 CA GLN 5 8.164 -5.895 1.487 0.000 -ATOM 10 CB GLN 5 7.136 -4.212 2.551 0.000 -ATOM 11 CA TRP 6 7.178 -8.173 -1.390 0.000 -ATOM 12 CB TRP 6 6.729 -10.372 -2.712 0.000 -ATOM 13 CA LEU 7 10.479 -7.550 -3.165 0.000 -ATOM 14 CB LEU 7 10.548 -6.048 -4.388 0.000 -ATOM 15 CA LYS 8 12.411 -8.293 0.022 0.000 -ATOM 16 CB LYS 8 13.132 -5.893 0.444 0.000 -ATOM 17 CA ASP 9 10.037 -11.087 1.019 0.000 -ATOM 18 CB ASP 9 9.079 -10.098 2.031 0.000 -ATOM 19 CA GLY 10 10.725 -13.077 -2.145 0.000 -ATOM 20 CA GLY 11 9.560 -12.277 -5.672 0.000 -ATOM 21 CA PRO 12 6.257 -12.148 -7.548 0.000 -ATOM 22 CB PRO 12 6.492 -13.130 -8.437 0.000 -ATOM 23 CA SER 13 3.958 -14.755 -6.012 0.000 -ATOM 24 CB SER 13 3.432 -15.470 -6.743 0.000 -ATOM 25 CA SER 14 6.912 -17.017 -5.240 0.000 -ATOM 26 CB SER 14 7.850 -16.446 -5.582 0.000 -ATOM 27 CA GLY 15 7.187 -15.738 -1.672 0.000 -ATOM 28 CA ARG 16 4.648 -13.429 -0.040 0.000 -ATOM 29 CB ARG 16 5.151 -10.651 1.033 0.000 -ATOM 30 CA PRO 17 1.875 -11.672 -1.953 0.000 -ATOM 31 CB PRO 17 1.504 -11.257 -0.728 0.000 -ATOM 32 CA PRO 18 2.808 -9.003 -4.492 0.000 -ATOM 33 CB PRO 18 2.978 -10.097 -5.256 0.000 -ATOM 34 CA PRO 19 0.861 -5.927 -5.583 0.000 -ATOM 35 CB PRO 19 1.630 -5.101 -4.851 0.000 -ATOM 36 CA SER 20 3.111 -5.290 -8.579 0.000 -ATOM 37 CB SER 20 4.216 -5.505 -8.343 0.000 -TER -CONECT 1 3 2 -CONECT 3 5 4 -CONECT 5 7 6 -CONECT 7 9 8 -CONECT 9 11 10 -CONECT 11 13 12 -CONECT 13 15 14 -CONECT 15 17 16 -CONECT 17 19 18 -CONECT 19 20 -CONECT 20 21 -CONECT 21 23 22 -CONECT 23 25 24 -CONECT 25 27 26 -CONECT 27 28 -CONECT 28 30 29 -CONECT 30 32 31 -CONECT 32 34 33 -CONECT 34 36 35 -CONECT 36 37 -ENDMDL diff --git a/examples/unres/CSA/GAB/CSA/1l2y_csa@031.pdb b/examples/unres/CSA/GAB/CSA/1l2y_csa@031.pdb deleted file mode 100644 index dcf2b82..0000000 --- a/examples/unres/CSA/GAB/CSA/1l2y_csa@031.pdb +++ /dev/null @@ -1,61 +0,0 @@ -REMARK GM 31 e 2891356 m 9105 ENERGY -9.18668E+01 -HELIX 1 H1 TYR 3 GLY 10 1 7 -ATOM 1 CA ASN 1 3.800 0.000 0.000 0.000 -ATOM 2 CB ASN 1 5.416 0.450 0.149 0.000 -ATOM 3 CA LEU 2 4.056 -3.791 0.000 0.000 -ATOM 4 CB LEU 2 3.573 -5.617 -0.439 0.000 -ATOM 5 CA TYR 3 6.066 -3.752 -3.225 0.000 -ATOM 6 CB TYR 3 5.924 -1.302 -3.606 0.000 -ATOM 7 CA ILE 4 9.299 -3.142 -1.323 0.000 -ATOM 8 CB ILE 4 9.995 -1.532 -1.047 0.000 -ATOM 9 CA GLN 5 8.352 -5.785 1.237 0.000 -ATOM 10 CB GLN 5 7.191 -4.282 2.425 0.000 -ATOM 11 CA TRP 6 7.204 -8.088 -1.559 0.000 -ATOM 12 CB TRP 6 5.708 -10.062 -2.366 0.000 -ATOM 13 CA LEU 7 10.272 -7.198 -3.618 0.000 -ATOM 14 CB LEU 7 9.065 -6.524 -4.978 0.000 -ATOM 15 CA LYS 8 12.526 -7.870 -0.634 0.000 -ATOM 16 CB LYS 8 12.919 -5.496 0.182 0.000 -ATOM 17 CA ASP 9 10.788 -11.168 0.103 0.000 -ATOM 18 CB ASP 9 9.379 -10.430 0.729 0.000 -ATOM 19 CA GLY 10 12.567 -12.787 -2.839 0.000 -ATOM 20 CA GLY 11 11.144 -10.900 -5.814 0.000 -ATOM 21 CA PRO 12 7.550 -12.109 -5.565 0.000 -ATOM 22 CB PRO 12 7.057 -11.040 -6.216 0.000 -ATOM 23 CA SER 13 8.581 -15.497 -4.187 0.000 -ATOM 24 CB SER 13 9.706 -15.614 -3.982 0.000 -ATOM 25 CA SER 14 7.541 -14.693 -0.621 0.000 -ATOM 26 CB SER 14 7.271 -13.585 -0.473 0.000 -ATOM 27 CA GLY 15 4.318 -15.948 0.951 0.000 -ATOM 28 CA ARG 16 2.365 -12.777 0.200 0.000 -ATOM 29 CB ARG 16 4.200 -10.543 1.073 0.000 -ATOM 30 CA PRO 17 0.686 -11.629 -3.011 0.000 -ATOM 31 CB PRO 17 0.317 -10.604 -2.222 0.000 -ATOM 32 CA PRO 18 2.849 -10.799 -6.022 0.000 -ATOM 33 CB PRO 18 1.991 -11.626 -6.645 0.000 -ATOM 34 CA PRO 19 3.243 -7.154 -7.023 0.000 -ATOM 35 CB PRO 19 3.873 -7.035 -5.841 0.000 -ATOM 36 CA SER 20 3.125 -7.912 -10.745 0.000 -ATOM 37 CB SER 20 3.650 -8.902 -11.004 0.000 -TER -CONECT 1 3 2 -CONECT 3 5 4 -CONECT 5 7 6 -CONECT 7 9 8 -CONECT 9 11 10 -CONECT 11 13 12 -CONECT 13 15 14 -CONECT 15 17 16 -CONECT 17 19 18 -CONECT 19 20 -CONECT 20 21 -CONECT 21 23 22 -CONECT 23 25 24 -CONECT 25 27 26 -CONECT 27 28 -CONECT 28 30 29 -CONECT 30 32 31 -CONECT 32 34 33 -CONECT 34 36 35 -CONECT 36 37 -ENDMDL diff --git a/examples/unres/CSA/GAB/CSA/1l2y_csa@032.pdb b/examples/unres/CSA/GAB/CSA/1l2y_csa@032.pdb deleted file mode 100644 index 7ea5593..0000000 --- a/examples/unres/CSA/GAB/CSA/1l2y_csa@032.pdb +++ /dev/null @@ -1,61 +0,0 @@ -REMARK GM 32 e 3273870 m 10380 ENERGY -9.22318E+01 -HELIX 1 H1 TYR 3 GLY 10 1 7 -ATOM 1 CA ASN 1 3.800 0.000 0.000 0.000 -ATOM 2 CB ASN 1 5.419 0.445 0.133 0.000 -ATOM 3 CA LEU 2 4.056 -3.791 0.000 0.000 -ATOM 4 CB LEU 2 3.531 -5.613 -0.409 0.000 -ATOM 5 CA TYR 3 6.130 -3.748 -3.184 0.000 -ATOM 6 CB TYR 3 5.984 -1.310 -3.635 0.000 -ATOM 7 CA ILE 4 9.334 -3.133 -1.237 0.000 -ATOM 8 CB ILE 4 10.042 -1.527 -0.965 0.000 -ATOM 9 CA GLN 5 8.321 -5.711 1.365 0.000 -ATOM 10 CB GLN 5 7.145 -4.163 2.478 0.000 -ATOM 11 CA TRP 6 7.203 -8.072 -1.395 0.000 -ATOM 12 CB TRP 6 5.679 -10.073 -2.073 0.000 -ATOM 13 CA LEU 7 10.294 -7.234 -3.439 0.000 -ATOM 14 CB LEU 7 9.118 -6.618 -4.852 0.000 -ATOM 15 CA LYS 8 12.513 -7.861 -0.418 0.000 -ATOM 16 CB LYS 8 12.952 -5.469 0.321 0.000 -ATOM 17 CA ASP 9 10.719 -11.110 0.394 0.000 -ATOM 18 CB ASP 9 9.303 -10.362 0.992 0.000 -ATOM 19 CA GLY 10 12.491 -12.833 -2.493 0.000 -ATOM 20 CA GLY 11 11.092 -11.007 -5.517 0.000 -ATOM 21 CA PRO 12 7.481 -12.148 -5.213 0.000 -ATOM 22 CB PRO 12 6.991 -11.073 -5.856 0.000 -ATOM 23 CA SER 13 8.472 -15.534 -3.802 0.000 -ATOM 24 CB SER 13 9.598 -15.661 -3.606 0.000 -ATOM 25 CA SER 14 7.489 -14.671 -0.234 0.000 -ATOM 26 CB SER 14 7.202 -13.566 -0.092 0.000 -ATOM 27 CA GLY 15 4.303 -15.969 1.379 0.000 -ATOM 28 CA ARG 16 2.279 -12.843 0.621 0.000 -ATOM 29 CB ARG 16 4.083 -10.527 1.330 0.000 -ATOM 30 CA PRO 17 0.600 -11.735 -2.603 0.000 -ATOM 31 CB PRO 17 0.176 -10.730 -1.816 0.000 -ATOM 32 CA PRO 18 2.770 -10.733 -5.557 0.000 -ATOM 33 CB PRO 18 1.986 -11.609 -6.209 0.000 -ATOM 34 CA PRO 19 2.862 -7.072 -6.573 0.000 -ATOM 35 CB PRO 19 3.754 -7.003 -5.568 0.000 -ATOM 36 CA SER 20 4.205 -7.832 -10.045 0.000 -ATOM 37 CB SER 20 5.152 -8.484 -10.006 0.000 -TER -CONECT 1 3 2 -CONECT 3 5 4 -CONECT 5 7 6 -CONECT 7 9 8 -CONECT 9 11 10 -CONECT 11 13 12 -CONECT 13 15 14 -CONECT 15 17 16 -CONECT 17 19 18 -CONECT 19 20 -CONECT 20 21 -CONECT 21 23 22 -CONECT 23 25 24 -CONECT 25 27 26 -CONECT 27 28 -CONECT 28 30 29 -CONECT 30 32 31 -CONECT 32 34 33 -CONECT 34 36 35 -CONECT 36 37 -ENDMDL diff --git a/examples/unres/CSA/GAB/CSA/1l2y_csa@033.pdb b/examples/unres/CSA/GAB/CSA/1l2y_csa@033.pdb deleted file mode 100644 index 1234e59..0000000 --- a/examples/unres/CSA/GAB/CSA/1l2y_csa@033.pdb +++ /dev/null @@ -1,61 +0,0 @@ -REMARK GM 33 e 3562507 m 11302 ENERGY -9.22332E+01 -HELIX 1 H1 TYR 3 GLY 10 1 7 -ATOM 1 CA ASN 1 3.800 0.000 0.000 0.000 -ATOM 2 CB ASN 1 5.419 0.444 0.132 0.000 -ATOM 3 CA LEU 2 4.057 -3.791 0.000 0.000 -ATOM 4 CB LEU 2 3.533 -5.613 -0.410 0.000 -ATOM 5 CA TYR 3 6.130 -3.748 -3.184 0.000 -ATOM 6 CB TYR 3 5.986 -1.309 -3.632 0.000 -ATOM 7 CA ILE 4 9.335 -3.141 -1.235 0.000 -ATOM 8 CB ILE 4 10.043 -1.536 -0.958 0.000 -ATOM 9 CA GLN 5 8.318 -5.723 1.361 0.000 -ATOM 10 CB GLN 5 7.146 -4.175 2.477 0.000 -ATOM 11 CA TRP 6 7.199 -8.077 -1.404 0.000 -ATOM 12 CB TRP 6 5.676 -10.076 -2.090 0.000 -ATOM 13 CA LEU 7 10.291 -7.236 -3.446 0.000 -ATOM 14 CB LEU 7 9.113 -6.625 -4.859 0.000 -ATOM 15 CA LYS 8 12.509 -7.873 -0.426 0.000 -ATOM 16 CB LYS 8 12.946 -5.484 0.323 0.000 -ATOM 17 CA ASP 9 10.714 -11.125 0.374 0.000 -ATOM 18 CB ASP 9 9.296 -10.384 0.973 0.000 -ATOM 19 CA GLY 10 12.489 -12.837 -2.517 0.000 -ATOM 20 CA GLY 11 11.090 -11.002 -5.536 0.000 -ATOM 21 CA PRO 12 7.480 -12.151 -5.237 0.000 -ATOM 22 CB PRO 12 6.987 -11.074 -5.874 0.000 -ATOM 23 CA SER 13 8.477 -15.540 -3.836 0.000 -ATOM 24 CB SER 13 9.603 -15.665 -3.640 0.000 -ATOM 25 CA SER 14 7.490 -14.690 -0.267 0.000 -ATOM 26 CB SER 14 7.200 -13.586 -0.125 0.000 -ATOM 27 CA GLY 15 4.301 -15.998 1.333 0.000 -ATOM 28 CA ARG 16 2.281 -12.867 0.591 0.000 -ATOM 29 CB ARG 16 4.077 -10.548 1.308 0.000 -ATOM 30 CA PRO 17 0.599 -11.740 -2.625 0.000 -ATOM 31 CB PRO 17 0.187 -10.729 -1.840 0.000 -ATOM 32 CA PRO 18 2.766 -10.730 -5.579 0.000 -ATOM 33 CB PRO 18 1.982 -11.608 -6.231 0.000 -ATOM 34 CA PRO 19 2.857 -7.065 -6.578 0.000 -ATOM 35 CB PRO 19 3.748 -6.997 -5.572 0.000 -ATOM 36 CA SER 20 4.228 -7.804 -10.044 0.000 -ATOM 37 CB SER 20 5.198 -8.420 -10.005 0.000 -TER -CONECT 1 3 2 -CONECT 3 5 4 -CONECT 5 7 6 -CONECT 7 9 8 -CONECT 9 11 10 -CONECT 11 13 12 -CONECT 13 15 14 -CONECT 15 17 16 -CONECT 17 19 18 -CONECT 19 20 -CONECT 20 21 -CONECT 21 23 22 -CONECT 23 25 24 -CONECT 25 27 26 -CONECT 27 28 -CONECT 28 30 29 -CONECT 30 32 31 -CONECT 32 34 33 -CONECT 34 36 35 -CONECT 36 37 -ENDMDL diff --git a/examples/unres/CSA/GAB/CSA/1l2y_csa@034.pdb b/examples/unres/CSA/GAB/CSA/1l2y_csa@034.pdb deleted file mode 100644 index c6621e5..0000000 --- a/examples/unres/CSA/GAB/CSA/1l2y_csa@034.pdb +++ /dev/null @@ -1,61 +0,0 @@ -REMARK GM 34 e 3999819 m 12764 ENERGY -9.22334E+01 -HELIX 1 H1 TYR 3 GLY 10 1 7 -ATOM 1 CA ASN 1 3.800 0.000 0.000 0.000 -ATOM 2 CB ASN 1 5.419 0.444 0.132 0.000 -ATOM 3 CA LEU 2 4.056 -3.791 0.000 0.000 -ATOM 4 CB LEU 2 3.534 -5.613 -0.410 0.000 -ATOM 5 CA TYR 3 6.130 -3.748 -3.184 0.000 -ATOM 6 CB TYR 3 5.986 -1.309 -3.632 0.000 -ATOM 7 CA ILE 4 9.335 -3.142 -1.235 0.000 -ATOM 8 CB ILE 4 10.043 -1.536 -0.957 0.000 -ATOM 9 CA GLN 5 8.318 -5.724 1.361 0.000 -ATOM 10 CB GLN 5 7.146 -4.176 2.477 0.000 -ATOM 11 CA TRP 6 7.198 -8.077 -1.405 0.000 -ATOM 12 CB TRP 6 5.675 -10.076 -2.092 0.000 -ATOM 13 CA LEU 7 10.291 -7.237 -3.446 0.000 -ATOM 14 CB LEU 7 9.113 -6.626 -4.860 0.000 -ATOM 15 CA LYS 8 12.508 -7.874 -0.426 0.000 -ATOM 16 CB LYS 8 12.945 -5.486 0.324 0.000 -ATOM 17 CA ASP 9 10.713 -11.127 0.373 0.000 -ATOM 18 CB ASP 9 9.294 -10.386 0.972 0.000 -ATOM 19 CA GLY 10 12.489 -12.838 -2.518 0.000 -ATOM 20 CA GLY 11 11.090 -11.002 -5.537 0.000 -ATOM 21 CA PRO 12 7.480 -12.152 -5.238 0.000 -ATOM 22 CB PRO 12 6.987 -11.075 -5.874 0.000 -ATOM 23 CA SER 13 8.478 -15.541 -3.839 0.000 -ATOM 24 CB SER 13 9.604 -15.666 -3.642 0.000 -ATOM 25 CA SER 14 7.490 -14.692 -0.269 0.000 -ATOM 26 CB SER 14 7.199 -13.589 -0.127 0.000 -ATOM 27 CA GLY 15 4.301 -16.001 1.330 0.000 -ATOM 28 CA ARG 16 2.280 -12.869 0.589 0.000 -ATOM 29 CB ARG 16 4.077 -10.550 1.307 0.000 -ATOM 30 CA PRO 17 0.598 -11.741 -2.626 0.000 -ATOM 31 CB PRO 17 0.188 -10.729 -1.841 0.000 -ATOM 32 CA PRO 18 2.765 -10.730 -5.581 0.000 -ATOM 33 CB PRO 18 1.981 -11.608 -6.232 0.000 -ATOM 34 CA PRO 19 2.856 -7.065 -6.578 0.000 -ATOM 35 CB PRO 19 3.747 -6.997 -5.572 0.000 -ATOM 36 CA SER 20 4.227 -7.802 -10.044 0.000 -ATOM 37 CB SER 20 5.197 -8.419 -10.003 0.000 -TER -CONECT 1 3 2 -CONECT 3 5 4 -CONECT 5 7 6 -CONECT 7 9 8 -CONECT 9 11 10 -CONECT 11 13 12 -CONECT 13 15 14 -CONECT 15 17 16 -CONECT 17 19 18 -CONECT 19 20 -CONECT 20 21 -CONECT 21 23 22 -CONECT 23 25 24 -CONECT 25 27 26 -CONECT 27 28 -CONECT 28 30 29 -CONECT 30 32 31 -CONECT 32 34 33 -CONECT 34 36 35 -CONECT 36 37 -ENDMDL diff --git a/examples/unres/CSA/GAB/CSA/1l2y_csa@035.pdb b/examples/unres/CSA/GAB/CSA/1l2y_csa@035.pdb deleted file mode 100644 index 5986def..0000000 --- a/examples/unres/CSA/GAB/CSA/1l2y_csa@035.pdb +++ /dev/null @@ -1,61 +0,0 @@ -REMARK GM 35 e 5581972 m 17918 ENERGY -9.22334E+01 -HELIX 1 H1 TYR 3 GLY 10 1 7 -ATOM 1 CA ASN 1 3.800 0.000 0.000 0.000 -ATOM 2 CB ASN 1 5.419 0.444 0.132 0.000 -ATOM 3 CA LEU 2 4.056 -3.791 0.000 0.000 -ATOM 4 CB LEU 2 3.534 -5.613 -0.410 0.000 -ATOM 5 CA TYR 3 6.130 -3.748 -3.184 0.000 -ATOM 6 CB TYR 3 5.986 -1.309 -3.632 0.000 -ATOM 7 CA ILE 4 9.335 -3.142 -1.235 0.000 -ATOM 8 CB ILE 4 10.043 -1.536 -0.957 0.000 -ATOM 9 CA GLN 5 8.318 -5.724 1.361 0.000 -ATOM 10 CB GLN 5 7.146 -4.176 2.477 0.000 -ATOM 11 CA TRP 6 7.198 -8.077 -1.404 0.000 -ATOM 12 CB TRP 6 5.675 -10.076 -2.091 0.000 -ATOM 13 CA LEU 7 10.291 -7.237 -3.446 0.000 -ATOM 14 CB LEU 7 9.113 -6.627 -4.860 0.000 -ATOM 15 CA LYS 8 12.508 -7.874 -0.426 0.000 -ATOM 16 CB LYS 8 12.945 -5.486 0.324 0.000 -ATOM 17 CA ASP 9 10.713 -11.127 0.373 0.000 -ATOM 18 CB ASP 9 9.294 -10.386 0.972 0.000 -ATOM 19 CA GLY 10 12.489 -12.838 -2.518 0.000 -ATOM 20 CA GLY 11 11.090 -11.002 -5.537 0.000 -ATOM 21 CA PRO 12 7.480 -12.152 -5.238 0.000 -ATOM 22 CB PRO 12 6.986 -11.075 -5.874 0.000 -ATOM 23 CA SER 13 8.478 -15.541 -3.839 0.000 -ATOM 24 CB SER 13 9.604 -15.666 -3.642 0.000 -ATOM 25 CA SER 14 7.490 -14.692 -0.269 0.000 -ATOM 26 CB SER 14 7.199 -13.589 -0.127 0.000 -ATOM 27 CA GLY 15 4.301 -16.001 1.330 0.000 -ATOM 28 CA ARG 16 2.280 -12.869 0.589 0.000 -ATOM 29 CB ARG 16 4.077 -10.550 1.307 0.000 -ATOM 30 CA PRO 17 0.598 -11.740 -2.626 0.000 -ATOM 31 CB PRO 17 0.188 -10.728 -1.841 0.000 -ATOM 32 CA PRO 18 2.764 -10.730 -5.580 0.000 -ATOM 33 CB PRO 18 1.981 -11.608 -6.232 0.000 -ATOM 34 CA PRO 19 2.856 -7.065 -6.578 0.000 -ATOM 35 CB PRO 19 3.747 -6.997 -5.572 0.000 -ATOM 36 CA SER 20 4.227 -7.802 -10.044 0.000 -ATOM 37 CB SER 20 5.197 -8.419 -10.003 0.000 -TER -CONECT 1 3 2 -CONECT 3 5 4 -CONECT 5 7 6 -CONECT 7 9 8 -CONECT 9 11 10 -CONECT 11 13 12 -CONECT 13 15 14 -CONECT 15 17 16 -CONECT 17 19 18 -CONECT 19 20 -CONECT 20 21 -CONECT 21 23 22 -CONECT 23 25 24 -CONECT 25 27 26 -CONECT 27 28 -CONECT 28 30 29 -CONECT 30 32 31 -CONECT 32 34 33 -CONECT 34 36 35 -CONECT 36 37 -ENDMDL diff --git a/examples/unres/CSA/GAB/CSA/1l2y_csa@036.pdb b/examples/unres/CSA/GAB/CSA/1l2y_csa@036.pdb deleted file mode 100644 index 115e95a..0000000 --- a/examples/unres/CSA/GAB/CSA/1l2y_csa@036.pdb +++ /dev/null @@ -1,61 +0,0 @@ -REMARK GM 36 e 8637668 m 28385 ENERGY -9.22628E+01 -HELIX 1 H1 TYR 3 GLY 10 1 7 -ATOM 1 CA ASN 1 3.800 0.000 0.000 0.000 -ATOM 2 CB ASN 1 5.420 0.437 0.148 0.000 -ATOM 3 CA LEU 2 4.054 -3.791 0.000 0.000 -ATOM 4 CB LEU 2 3.622 -5.635 -0.419 0.000 -ATOM 5 CA TYR 3 6.071 -3.752 -3.220 0.000 -ATOM 6 CB TYR 3 5.925 -1.303 -3.604 0.000 -ATOM 7 CA ILE 4 9.303 -3.196 -1.300 0.000 -ATOM 8 CB ILE 4 10.018 -1.602 -0.979 0.000 -ATOM 9 CA GLN 5 8.317 -5.860 1.223 0.000 -ATOM 10 CB GLN 5 7.160 -4.405 2.473 0.000 -ATOM 11 CA TRP 6 7.170 -8.126 -1.603 0.000 -ATOM 12 CB TRP 6 5.716 -10.163 -2.327 0.000 -ATOM 13 CA LEU 7 10.247 -7.221 -3.642 0.000 -ATOM 14 CB LEU 7 9.037 -6.568 -5.009 0.000 -ATOM 15 CA LYS 8 12.483 -7.940 -0.654 0.000 -ATOM 16 CB LYS 8 12.924 -5.577 0.168 0.000 -ATOM 17 CA ASP 9 10.716 -11.233 0.037 0.000 -ATOM 18 CB ASP 9 9.270 -10.565 0.656 0.000 -ATOM 19 CA GLY 10 12.524 -12.825 -2.902 0.000 -ATOM 20 CA GLY 11 11.102 -10.897 -5.852 0.000 -ATOM 21 CA PRO 12 7.511 -12.112 -5.581 0.000 -ATOM 22 CB PRO 12 6.997 -11.017 -6.168 0.000 -ATOM 23 CA SER 13 8.571 -15.542 -4.335 0.000 -ATOM 24 CB SER 13 9.699 -15.657 -4.147 0.000 -ATOM 25 CA SER 14 7.597 -14.864 -0.725 0.000 -ATOM 26 CB SER 14 7.252 -13.785 -0.523 0.000 -ATOM 27 CA GLY 15 4.463 -16.425 0.751 0.000 -ATOM 28 CA ARG 16 2.264 -13.398 0.085 0.000 -ATOM 29 CB ARG 16 3.956 -11.042 0.925 0.000 -ATOM 30 CA PRO 17 0.527 -12.230 -3.086 0.000 -ATOM 31 CB PRO 17 0.515 -11.057 -2.428 0.000 -ATOM 32 CA PRO 18 2.809 -10.882 -5.809 0.000 -ATOM 33 CB PRO 18 2.167 -11.809 -6.542 0.000 -ATOM 34 CA PRO 19 2.699 -7.157 -6.551 0.000 -ATOM 35 CB PRO 19 3.640 -7.069 -5.593 0.000 -ATOM 36 CA SER 20 3.987 -7.595 -10.099 0.000 -ATOM 37 CB SER 20 4.962 -8.205 -10.126 0.000 -TER -CONECT 1 3 2 -CONECT 3 5 4 -CONECT 5 7 6 -CONECT 7 9 8 -CONECT 9 11 10 -CONECT 11 13 12 -CONECT 13 15 14 -CONECT 15 17 16 -CONECT 17 19 18 -CONECT 19 20 -CONECT 20 21 -CONECT 21 23 22 -CONECT 23 25 24 -CONECT 25 27 26 -CONECT 27 28 -CONECT 28 30 29 -CONECT 30 32 31 -CONECT 32 34 33 -CONECT 34 36 35 -CONECT 36 37 -ENDMDL diff --git a/examples/unres/CSA/GAB/CSA/1l2y_csa@037.pdb b/examples/unres/CSA/GAB/CSA/1l2y_csa@037.pdb deleted file mode 100644 index fee2658..0000000 --- a/examples/unres/CSA/GAB/CSA/1l2y_csa@037.pdb +++ /dev/null @@ -1,61 +0,0 @@ -REMARK GM 37 e 8749202 m 28778 ENERGY -9.23023E+01 -HELIX 1 H1 TYR 3 GLY 10 1 7 -ATOM 1 CA ASN 1 3.800 0.000 0.000 0.000 -ATOM 2 CB ASN 1 5.418 0.441 0.152 0.000 -ATOM 3 CA LEU 2 4.056 -3.791 0.000 0.000 -ATOM 4 CB LEU 2 3.630 -5.640 -0.401 0.000 -ATOM 5 CA TYR 3 6.054 -3.754 -3.232 0.000 -ATOM 6 CB TYR 3 5.893 -1.304 -3.605 0.000 -ATOM 7 CA ILE 4 9.298 -3.212 -1.329 0.000 -ATOM 8 CB ILE 4 10.000 -1.616 -0.993 0.000 -ATOM 9 CA GLN 5 8.313 -5.876 1.196 0.000 -ATOM 10 CB GLN 5 7.184 -4.403 2.451 0.000 -ATOM 11 CA TRP 6 7.144 -8.134 -1.628 0.000 -ATOM 12 CB TRP 6 5.708 -10.172 -2.383 0.000 -ATOM 13 CA LEU 7 10.213 -7.234 -3.680 0.000 -ATOM 14 CB LEU 7 8.996 -6.654 -5.075 0.000 -ATOM 15 CA LYS 8 12.461 -7.938 -0.699 0.000 -ATOM 16 CB LYS 8 12.897 -5.584 0.154 0.000 -ATOM 17 CA ASP 9 10.722 -11.244 -0.002 0.000 -ATOM 18 CB ASP 9 9.263 -10.594 0.605 0.000 -ATOM 19 CA GLY 10 12.575 -12.836 -2.913 0.000 -ATOM 20 CA GLY 11 11.155 -10.923 -5.873 0.000 -ATOM 21 CA PRO 12 7.579 -12.186 -5.625 0.000 -ATOM 22 CB PRO 12 7.026 -11.092 -6.178 0.000 -ATOM 23 CA SER 13 8.675 -15.599 -4.365 0.000 -ATOM 24 CB SER 13 9.803 -15.702 -4.167 0.000 -ATOM 25 CA SER 14 7.634 -14.916 -0.774 0.000 -ATOM 26 CB SER 14 7.278 -13.837 -0.599 0.000 -ATOM 27 CA GLY 15 4.473 -16.479 0.641 0.000 -ATOM 28 CA ARG 16 2.290 -13.445 -0.049 0.000 -ATOM 29 CB ARG 16 3.968 -11.104 0.858 0.000 -ATOM 30 CA PRO 17 0.558 -12.229 -3.204 0.000 -ATOM 31 CB PRO 17 0.562 -11.055 -2.548 0.000 -ATOM 32 CA PRO 18 2.846 -10.888 -5.926 0.000 -ATOM 33 CB PRO 18 2.208 -11.823 -6.652 0.000 -ATOM 34 CA PRO 19 2.711 -7.151 -6.603 0.000 -ATOM 35 CB PRO 19 3.615 -7.054 -5.612 0.000 -ATOM 36 CA SER 20 4.450 -7.431 -9.971 0.000 -ATOM 37 CB SER 20 5.568 -7.679 -9.869 0.000 -TER -CONECT 1 3 2 -CONECT 3 5 4 -CONECT 5 7 6 -CONECT 7 9 8 -CONECT 9 11 10 -CONECT 11 13 12 -CONECT 13 15 14 -CONECT 15 17 16 -CONECT 17 19 18 -CONECT 19 20 -CONECT 20 21 -CONECT 21 23 22 -CONECT 23 25 24 -CONECT 25 27 26 -CONECT 27 28 -CONECT 28 30 29 -CONECT 30 32 31 -CONECT 32 34 33 -CONECT 34 36 35 -CONECT 36 37 -ENDMDL diff --git a/examples/unres/CSA/GAB/CSA/1l2y_csa@038.pdb b/examples/unres/CSA/GAB/CSA/1l2y_csa@038.pdb deleted file mode 100644 index 7618b34..0000000 --- a/examples/unres/CSA/GAB/CSA/1l2y_csa@038.pdb +++ /dev/null @@ -1,61 +0,0 @@ -REMARK GM 38 e 8861871 m 29154 ENERGY -9.23025E+01 -HELIX 1 H1 TYR 3 GLY 10 1 7 -ATOM 1 CA ASN 1 3.800 0.000 0.000 0.000 -ATOM 2 CB ASN 1 5.418 0.442 0.153 0.000 -ATOM 3 CA LEU 2 4.057 -3.791 0.000 0.000 -ATOM 4 CB LEU 2 3.632 -5.640 -0.401 0.000 -ATOM 5 CA TYR 3 6.071 -3.753 -3.222 0.000 -ATOM 6 CB TYR 3 5.914 -1.302 -3.598 0.000 -ATOM 7 CA ILE 4 9.306 -3.213 -1.303 0.000 -ATOM 8 CB ILE 4 10.008 -1.618 -0.964 0.000 -ATOM 9 CA GLN 5 8.307 -5.876 1.217 0.000 -ATOM 10 CB GLN 5 7.172 -4.404 2.466 0.000 -ATOM 11 CA TRP 6 7.150 -8.134 -1.612 0.000 -ATOM 12 CB TRP 6 5.718 -10.172 -2.374 0.000 -ATOM 13 CA LEU 7 10.229 -7.235 -3.651 0.000 -ATOM 14 CB LEU 7 9.018 -6.655 -5.051 0.000 -ATOM 15 CA LYS 8 12.464 -7.940 -0.660 0.000 -ATOM 16 CB LYS 8 12.896 -5.587 0.195 0.000 -ATOM 17 CA ASP 9 10.721 -11.246 0.028 0.000 -ATOM 18 CB ASP 9 9.259 -10.596 0.629 0.000 -ATOM 19 CA GLY 10 12.586 -12.836 -2.876 0.000 -ATOM 20 CA GLY 11 11.178 -10.922 -5.841 0.000 -ATOM 21 CA PRO 12 7.602 -12.187 -5.609 0.000 -ATOM 22 CB PRO 12 7.051 -11.093 -6.165 0.000 -ATOM 23 CA SER 13 8.693 -15.600 -4.345 0.000 -ATOM 24 CB SER 13 9.820 -15.703 -4.142 0.000 -ATOM 25 CA SER 14 7.637 -14.918 -0.759 0.000 -ATOM 26 CB SER 14 7.281 -13.838 -0.585 0.000 -ATOM 27 CA GLY 15 4.469 -16.480 0.642 0.000 -ATOM 28 CA ARG 16 2.290 -13.446 -0.056 0.000 -ATOM 29 CB ARG 16 3.964 -11.104 0.858 0.000 -ATOM 30 CA PRO 17 0.571 -12.228 -3.218 0.000 -ATOM 31 CB PRO 17 0.572 -11.055 -2.561 0.000 -ATOM 32 CA PRO 18 2.870 -10.886 -5.930 0.000 -ATOM 33 CB PRO 18 2.235 -11.821 -6.659 0.000 -ATOM 34 CA PRO 19 2.739 -7.149 -6.605 0.000 -ATOM 35 CB PRO 19 3.640 -7.052 -5.611 0.000 -ATOM 36 CA SER 20 4.495 -7.427 -9.964 0.000 -ATOM 37 CB SER 20 5.614 -7.672 -9.858 0.000 -TER -CONECT 1 3 2 -CONECT 3 5 4 -CONECT 5 7 6 -CONECT 7 9 8 -CONECT 9 11 10 -CONECT 11 13 12 -CONECT 13 15 14 -CONECT 15 17 16 -CONECT 17 19 18 -CONECT 19 20 -CONECT 20 21 -CONECT 21 23 22 -CONECT 23 25 24 -CONECT 25 27 26 -CONECT 27 28 -CONECT 28 30 29 -CONECT 30 32 31 -CONECT 32 34 33 -CONECT 34 36 35 -CONECT 36 37 -ENDMDL diff --git a/examples/unres/CSA/GAB/CSA/1l2y_csa@039.pdb b/examples/unres/CSA/GAB/CSA/1l2y_csa@039.pdb deleted file mode 100644 index 6cd0945..0000000 --- a/examples/unres/CSA/GAB/CSA/1l2y_csa@039.pdb +++ /dev/null @@ -1,61 +0,0 @@ -REMARK GM 39 e 8978923 m 29574 ENERGY -9.23025E+01 -HELIX 1 H1 TYR 3 GLY 10 1 7 -ATOM 1 CA ASN 1 3.800 0.000 0.000 0.000 -ATOM 2 CB ASN 1 5.418 0.441 0.152 0.000 -ATOM 3 CA LEU 2 4.056 -3.791 0.000 0.000 -ATOM 4 CB LEU 2 3.631 -5.640 -0.401 0.000 -ATOM 5 CA TYR 3 6.063 -3.754 -3.227 0.000 -ATOM 6 CB TYR 3 5.904 -1.303 -3.602 0.000 -ATOM 7 CA ILE 4 9.302 -3.213 -1.315 0.000 -ATOM 8 CB ILE 4 10.004 -1.617 -0.977 0.000 -ATOM 9 CA GLN 5 8.310 -5.877 1.207 0.000 -ATOM 10 CB GLN 5 7.178 -4.403 2.459 0.000 -ATOM 11 CA TRP 6 7.147 -8.134 -1.619 0.000 -ATOM 12 CB TRP 6 5.713 -10.172 -2.378 0.000 -ATOM 13 CA LEU 7 10.221 -7.235 -3.664 0.000 -ATOM 14 CB LEU 7 9.008 -6.656 -5.061 0.000 -ATOM 15 CA LYS 8 12.462 -7.940 -0.677 0.000 -ATOM 16 CB LYS 8 12.896 -5.586 0.177 0.000 -ATOM 17 CA ASP 9 10.721 -11.246 0.016 0.000 -ATOM 18 CB ASP 9 9.261 -10.595 0.619 0.000 -ATOM 19 CA GLY 10 12.581 -12.837 -2.890 0.000 -ATOM 20 CA GLY 11 11.168 -10.924 -5.854 0.000 -ATOM 21 CA PRO 12 7.592 -12.187 -5.614 0.000 -ATOM 22 CB PRO 12 7.040 -11.094 -6.169 0.000 -ATOM 23 CA SER 13 8.685 -15.601 -4.351 0.000 -ATOM 24 CB SER 13 9.813 -15.704 -4.150 0.000 -ATOM 25 CA SER 14 7.635 -14.917 -0.763 0.000 -ATOM 26 CB SER 14 7.279 -13.838 -0.589 0.000 -ATOM 27 CA GLY 15 4.470 -16.480 0.645 0.000 -ATOM 28 CA ARG 16 2.290 -13.446 -0.050 0.000 -ATOM 29 CB ARG 16 3.966 -11.104 0.859 0.000 -ATOM 30 CA PRO 17 0.565 -12.230 -3.210 0.000 -ATOM 31 CB PRO 17 0.567 -11.056 -2.554 0.000 -ATOM 32 CA PRO 18 2.859 -10.888 -5.927 0.000 -ATOM 33 CB PRO 18 2.222 -11.824 -6.654 0.000 -ATOM 34 CA PRO 19 2.725 -7.151 -6.603 0.000 -ATOM 35 CB PRO 19 3.628 -7.054 -5.611 0.000 -ATOM 36 CA SER 20 4.476 -7.430 -9.965 0.000 -ATOM 37 CB SER 20 5.594 -7.674 -9.859 0.000 -TER -CONECT 1 3 2 -CONECT 3 5 4 -CONECT 5 7 6 -CONECT 7 9 8 -CONECT 9 11 10 -CONECT 11 13 12 -CONECT 13 15 14 -CONECT 15 17 16 -CONECT 17 19 18 -CONECT 19 20 -CONECT 20 21 -CONECT 21 23 22 -CONECT 23 25 24 -CONECT 25 27 26 -CONECT 27 28 -CONECT 28 30 29 -CONECT 30 32 31 -CONECT 32 34 33 -CONECT 34 36 35 -CONECT 36 37 -ENDMDL diff --git a/examples/unres/CSA/GAB/CSA/1l2y_csa@040.pdb b/examples/unres/CSA/GAB/CSA/1l2y_csa@040.pdb deleted file mode 100644 index 5a445ae..0000000 --- a/examples/unres/CSA/GAB/CSA/1l2y_csa@040.pdb +++ /dev/null @@ -1,61 +0,0 @@ -REMARK GM 40 e 9397508 m 31019 ENERGY -9.25426E+01 -HELIX 1 H1 TYR 3 GLY 10 1 7 -ATOM 1 CA ASN 1 3.800 0.000 0.000 0.000 -ATOM 2 CB ASN 1 5.421 0.436 0.139 0.000 -ATOM 3 CA LEU 2 4.056 -3.791 0.000 0.000 -ATOM 4 CB LEU 2 3.616 -5.636 -0.404 0.000 -ATOM 5 CA TYR 3 6.087 -3.753 -3.211 0.000 -ATOM 6 CB TYR 3 5.943 -1.305 -3.608 0.000 -ATOM 7 CA ILE 4 9.313 -3.204 -1.278 0.000 -ATOM 8 CB ILE 4 10.025 -1.609 -0.955 0.000 -ATOM 9 CA GLN 5 8.307 -5.858 1.249 0.000 -ATOM 10 CB GLN 5 7.151 -4.393 2.487 0.000 -ATOM 11 CA TRP 6 7.163 -8.129 -1.575 0.000 -ATOM 12 CB TRP 6 5.706 -10.158 -2.315 0.000 -ATOM 13 CA LEU 7 10.246 -7.233 -3.609 0.000 -ATOM 14 CB LEU 7 9.045 -6.610 -4.997 0.000 -ATOM 15 CA LYS 8 12.475 -7.941 -0.613 0.000 -ATOM 16 CB LYS 8 12.917 -5.580 0.215 0.000 -ATOM 17 CA ASP 9 10.707 -11.230 0.090 0.000 -ATOM 18 CB ASP 9 9.256 -10.561 0.696 0.000 -ATOM 19 CA GLY 10 12.540 -12.844 -2.821 0.000 -ATOM 20 CA GLY 11 11.141 -10.926 -5.788 0.000 -ATOM 21 CA PRO 12 7.549 -12.143 -5.540 0.000 -ATOM 22 CB PRO 12 7.025 -11.046 -6.116 0.000 -ATOM 23 CA SER 13 8.601 -15.566 -4.268 0.000 -ATOM 24 CB SER 13 9.728 -15.681 -4.072 0.000 -ATOM 25 CA SER 14 7.581 -14.865 -0.675 0.000 -ATOM 26 CB SER 14 7.237 -13.783 -0.491 0.000 -ATOM 27 CA GLY 15 4.421 -16.404 0.769 0.000 -ATOM 28 CA ARG 16 2.239 -13.377 0.049 0.000 -ATOM 29 CB ARG 16 3.941 -11.042 0.928 0.000 -ATOM 30 CA PRO 17 0.528 -12.210 -3.136 0.000 -ATOM 31 CB PRO 17 0.511 -11.035 -2.482 0.000 -ATOM 32 CA PRO 18 2.833 -10.864 -5.841 0.000 -ATOM 33 CB PRO 18 2.194 -11.791 -6.577 0.000 -ATOM 34 CA PRO 19 2.721 -7.131 -6.541 0.000 -ATOM 35 CB PRO 19 3.653 -7.051 -5.575 0.000 -ATOM 36 CA SER 20 4.010 -7.509 -10.095 0.000 -ATOM 37 CB SER 20 5.056 -7.372 -9.638 0.000 -TER -CONECT 1 3 2 -CONECT 3 5 4 -CONECT 5 7 6 -CONECT 7 9 8 -CONECT 9 11 10 -CONECT 11 13 12 -CONECT 13 15 14 -CONECT 15 17 16 -CONECT 17 19 18 -CONECT 19 20 -CONECT 20 21 -CONECT 21 23 22 -CONECT 23 25 24 -CONECT 25 27 26 -CONECT 27 28 -CONECT 28 30 29 -CONECT 30 32 31 -CONECT 32 34 33 -CONECT 34 36 35 -CONECT 36 37 -ENDMDL diff --git a/examples/unres/CSA/GAB/CSA/1l2y_csa@041.pdb b/examples/unres/CSA/GAB/CSA/1l2y_csa@041.pdb deleted file mode 100644 index da83642..0000000 --- a/examples/unres/CSA/GAB/CSA/1l2y_csa@041.pdb +++ /dev/null @@ -1,61 +0,0 @@ -REMARK GM 41 e 9401072 m 31028 ENERGY -9.25427E+01 -HELIX 1 H1 TYR 3 GLY 10 1 7 -ATOM 1 CA ASN 1 3.800 0.000 0.000 0.000 -ATOM 2 CB ASN 1 5.419 0.441 0.147 0.000 -ATOM 3 CA LEU 2 4.057 -3.791 0.000 0.000 -ATOM 4 CB LEU 2 3.624 -5.637 -0.407 0.000 -ATOM 5 CA TYR 3 6.086 -3.752 -3.212 0.000 -ATOM 6 CB TYR 3 5.933 -1.304 -3.603 0.000 -ATOM 7 CA ILE 4 9.311 -3.197 -1.281 0.000 -ATOM 8 CB ILE 4 10.018 -1.601 -0.956 0.000 -ATOM 9 CA GLN 5 8.313 -5.856 1.244 0.000 -ATOM 10 CB GLN 5 7.156 -4.394 2.485 0.000 -ATOM 11 CA TRP 6 7.173 -8.126 -1.583 0.000 -ATOM 12 CB TRP 6 5.720 -10.157 -2.325 0.000 -ATOM 13 CA LEU 7 10.253 -7.222 -3.616 0.000 -ATOM 14 CB LEU 7 9.050 -6.600 -5.004 0.000 -ATOM 15 CA LYS 8 12.484 -7.929 -0.622 0.000 -ATOM 16 CB LYS 8 12.921 -5.568 0.210 0.000 -ATOM 17 CA ASP 9 10.723 -11.223 0.078 0.000 -ATOM 18 CB ASP 9 9.271 -10.556 0.685 0.000 -ATOM 19 CA GLY 10 12.559 -12.829 -2.835 0.000 -ATOM 20 CA GLY 11 11.155 -10.911 -5.800 0.000 -ATOM 21 CA PRO 12 7.566 -12.135 -5.552 0.000 -ATOM 22 CB PRO 12 7.040 -11.039 -6.127 0.000 -ATOM 23 CA SER 13 8.625 -15.557 -4.284 0.000 -ATOM 24 CB SER 13 9.752 -15.671 -4.088 0.000 -ATOM 25 CA SER 14 7.604 -14.862 -0.690 0.000 -ATOM 26 CB SER 14 7.258 -13.782 -0.505 0.000 -ATOM 27 CA GLY 15 4.448 -16.408 0.754 0.000 -ATOM 28 CA ARG 16 2.262 -13.384 0.038 0.000 -ATOM 29 CB ARG 16 3.959 -11.046 0.919 0.000 -ATOM 30 CA PRO 17 0.546 -12.216 -3.145 0.000 -ATOM 31 CB PRO 17 0.529 -11.041 -2.491 0.000 -ATOM 32 CA PRO 18 2.847 -10.866 -5.851 0.000 -ATOM 33 CB PRO 18 2.209 -11.793 -6.587 0.000 -ATOM 34 CA PRO 19 2.729 -7.132 -6.549 0.000 -ATOM 35 CB PRO 19 3.660 -7.051 -5.582 0.000 -ATOM 36 CA SER 20 4.020 -7.507 -10.103 0.000 -ATOM 37 CB SER 20 5.066 -7.367 -9.646 0.000 -TER -CONECT 1 3 2 -CONECT 3 5 4 -CONECT 5 7 6 -CONECT 7 9 8 -CONECT 9 11 10 -CONECT 11 13 12 -CONECT 13 15 14 -CONECT 15 17 16 -CONECT 17 19 18 -CONECT 19 20 -CONECT 20 21 -CONECT 21 23 22 -CONECT 23 25 24 -CONECT 25 27 26 -CONECT 27 28 -CONECT 28 30 29 -CONECT 30 32 31 -CONECT 32 34 33 -CONECT 34 36 35 -CONECT 36 37 -ENDMDL diff --git a/examples/unres/CSA/GAB/CSA/1l2y_csa@042.pdb b/examples/unres/CSA/GAB/CSA/1l2y_csa@042.pdb deleted file mode 100644 index 9ccda21..0000000 --- a/examples/unres/CSA/GAB/CSA/1l2y_csa@042.pdb +++ /dev/null @@ -1,61 +0,0 @@ -REMARK GM 42 e 9587567 m 31660 ENERGY -9.25428E+01 -HELIX 1 H1 TYR 3 GLY 10 1 7 -ATOM 1 CA ASN 1 3.800 0.000 0.000 0.000 -ATOM 2 CB ASN 1 5.419 0.441 0.147 0.000 -ATOM 3 CA LEU 2 4.056 -3.791 0.000 0.000 -ATOM 4 CB LEU 2 3.621 -5.636 -0.407 0.000 -ATOM 5 CA TYR 3 6.086 -3.752 -3.213 0.000 -ATOM 6 CB TYR 3 5.935 -1.303 -3.603 0.000 -ATOM 7 CA ILE 4 9.311 -3.198 -1.281 0.000 -ATOM 8 CB ILE 4 10.018 -1.601 -0.957 0.000 -ATOM 9 CA GLN 5 8.311 -5.855 1.244 0.000 -ATOM 10 CB GLN 5 7.155 -4.392 2.484 0.000 -ATOM 11 CA TRP 6 7.170 -8.126 -1.581 0.000 -ATOM 12 CB TRP 6 5.717 -10.156 -2.322 0.000 -ATOM 13 CA LEU 7 10.251 -7.224 -3.614 0.000 -ATOM 14 CB LEU 7 9.048 -6.603 -5.002 0.000 -ATOM 15 CA LYS 8 12.481 -7.930 -0.619 0.000 -ATOM 16 CB LYS 8 12.919 -5.569 0.211 0.000 -ATOM 17 CA ASP 9 10.719 -11.223 0.082 0.000 -ATOM 18 CB ASP 9 9.267 -10.556 0.689 0.000 -ATOM 19 CA GLY 10 12.555 -12.831 -2.830 0.000 -ATOM 20 CA GLY 11 11.152 -10.914 -5.796 0.000 -ATOM 21 CA PRO 12 7.563 -12.137 -5.548 0.000 -ATOM 22 CB PRO 12 7.037 -11.041 -6.124 0.000 -ATOM 23 CA SER 13 8.620 -15.559 -4.278 0.000 -ATOM 24 CB SER 13 9.748 -15.673 -4.082 0.000 -ATOM 25 CA SER 14 7.599 -14.862 -0.685 0.000 -ATOM 26 CB SER 14 7.253 -13.781 -0.501 0.000 -ATOM 27 CA GLY 15 4.442 -16.406 0.759 0.000 -ATOM 28 CA ARG 16 2.256 -13.382 0.041 0.000 -ATOM 29 CB ARG 16 3.954 -11.044 0.921 0.000 -ATOM 30 CA PRO 17 0.541 -12.215 -3.143 0.000 -ATOM 31 CB PRO 17 0.524 -11.040 -2.489 0.000 -ATOM 32 CA PRO 18 2.843 -10.866 -5.849 0.000 -ATOM 33 CB PRO 18 2.204 -11.794 -6.585 0.000 -ATOM 34 CA PRO 19 2.726 -7.133 -6.548 0.000 -ATOM 35 CB PRO 19 3.658 -7.052 -5.581 0.000 -ATOM 36 CA SER 20 4.018 -7.509 -10.102 0.000 -ATOM 37 CB SER 20 5.064 -7.370 -9.644 0.000 -TER -CONECT 1 3 2 -CONECT 3 5 4 -CONECT 5 7 6 -CONECT 7 9 8 -CONECT 9 11 10 -CONECT 11 13 12 -CONECT 13 15 14 -CONECT 15 17 16 -CONECT 17 19 18 -CONECT 19 20 -CONECT 20 21 -CONECT 21 23 22 -CONECT 23 25 24 -CONECT 25 27 26 -CONECT 27 28 -CONECT 28 30 29 -CONECT 30 32 31 -CONECT 32 34 33 -CONECT 34 36 35 -CONECT 36 37 -ENDMDL diff --git a/examples/unres/CSA/GAB/CSA/1l2y_csa@043.pdb b/examples/unres/CSA/GAB/CSA/1l2y_csa@043.pdb deleted file mode 100644 index 053aa6b..0000000 --- a/examples/unres/CSA/GAB/CSA/1l2y_csa@043.pdb +++ /dev/null @@ -1,61 +0,0 @@ -REMARK GM 43 e 10303226 m 34180 ENERGY -9.25428E+01 -HELIX 1 H1 TYR 3 GLY 10 1 7 -ATOM 1 CA ASN 1 3.800 0.000 0.000 0.000 -ATOM 2 CB ASN 1 5.419 0.441 0.147 0.000 -ATOM 3 CA LEU 2 4.056 -3.791 0.000 0.000 -ATOM 4 CB LEU 2 3.620 -5.636 -0.407 0.000 -ATOM 5 CA TYR 3 6.086 -3.752 -3.213 0.000 -ATOM 6 CB TYR 3 5.936 -1.303 -3.603 0.000 -ATOM 7 CA ILE 4 9.311 -3.198 -1.281 0.000 -ATOM 8 CB ILE 4 10.018 -1.602 -0.956 0.000 -ATOM 9 CA GLN 5 8.311 -5.855 1.245 0.000 -ATOM 10 CB GLN 5 7.155 -4.392 2.484 0.000 -ATOM 11 CA TRP 6 7.170 -8.126 -1.581 0.000 -ATOM 12 CB TRP 6 5.716 -10.156 -2.322 0.000 -ATOM 13 CA LEU 7 10.251 -7.225 -3.614 0.000 -ATOM 14 CB LEU 7 9.048 -6.603 -5.002 0.000 -ATOM 15 CA LYS 8 12.480 -7.930 -0.619 0.000 -ATOM 16 CB LYS 8 12.918 -5.569 0.211 0.000 -ATOM 17 CA ASP 9 10.718 -11.223 0.083 0.000 -ATOM 18 CB ASP 9 9.266 -10.556 0.689 0.000 -ATOM 19 CA GLY 10 12.554 -12.832 -2.829 0.000 -ATOM 20 CA GLY 11 11.151 -10.915 -5.795 0.000 -ATOM 21 CA PRO 12 7.562 -12.138 -5.548 0.000 -ATOM 22 CB PRO 12 7.036 -11.042 -6.124 0.000 -ATOM 23 CA SER 13 8.619 -15.560 -4.277 0.000 -ATOM 24 CB SER 13 9.747 -15.673 -4.081 0.000 -ATOM 25 CA SER 14 7.598 -14.862 -0.684 0.000 -ATOM 26 CB SER 14 7.252 -13.781 -0.500 0.000 -ATOM 27 CA GLY 15 4.440 -16.406 0.760 0.000 -ATOM 28 CA ARG 16 2.255 -13.381 0.041 0.000 -ATOM 29 CB ARG 16 3.952 -11.043 0.921 0.000 -ATOM 30 CA PRO 17 0.540 -12.214 -3.143 0.000 -ATOM 31 CB PRO 17 0.523 -11.039 -2.489 0.000 -ATOM 32 CA PRO 18 2.843 -10.866 -5.849 0.000 -ATOM 33 CB PRO 18 2.204 -11.793 -6.585 0.000 -ATOM 34 CA PRO 19 2.726 -7.133 -6.548 0.000 -ATOM 35 CB PRO 19 3.658 -7.052 -5.581 0.000 -ATOM 36 CA SER 20 4.018 -7.509 -10.102 0.000 -ATOM 37 CB SER 20 5.064 -7.370 -9.644 0.000 -TER -CONECT 1 3 2 -CONECT 3 5 4 -CONECT 5 7 6 -CONECT 7 9 8 -CONECT 9 11 10 -CONECT 11 13 12 -CONECT 13 15 14 -CONECT 15 17 16 -CONECT 17 19 18 -CONECT 19 20 -CONECT 20 21 -CONECT 21 23 22 -CONECT 23 25 24 -CONECT 25 27 26 -CONECT 27 28 -CONECT 28 30 29 -CONECT 30 32 31 -CONECT 32 34 33 -CONECT 34 36 35 -CONECT 36 37 -ENDMDL diff --git a/examples/unres/CSA/GAB/CSA/1l2y_csa@044.pdb b/examples/unres/CSA/GAB/CSA/1l2y_csa@044.pdb deleted file mode 100644 index 687b8f7..0000000 --- a/examples/unres/CSA/GAB/CSA/1l2y_csa@044.pdb +++ /dev/null @@ -1,61 +0,0 @@ -REMARK GM 44 e 11152704 m 37113 ENERGY -9.25428E+01 -HELIX 1 H1 TYR 3 GLY 10 1 7 -ATOM 1 CA ASN 1 3.800 0.000 0.000 0.000 -ATOM 2 CB ASN 1 5.419 0.441 0.147 0.000 -ATOM 3 CA LEU 2 4.056 -3.791 0.000 0.000 -ATOM 4 CB LEU 2 3.620 -5.636 -0.407 0.000 -ATOM 5 CA TYR 3 6.086 -3.752 -3.213 0.000 -ATOM 6 CB TYR 3 5.936 -1.303 -3.603 0.000 -ATOM 7 CA ILE 4 9.311 -3.198 -1.281 0.000 -ATOM 8 CB ILE 4 10.018 -1.602 -0.956 0.000 -ATOM 9 CA GLN 5 8.311 -5.855 1.245 0.000 -ATOM 10 CB GLN 5 7.154 -4.392 2.484 0.000 -ATOM 11 CA TRP 6 7.169 -8.126 -1.581 0.000 -ATOM 12 CB TRP 6 5.715 -10.156 -2.322 0.000 -ATOM 13 CA LEU 7 10.251 -7.225 -3.614 0.000 -ATOM 14 CB LEU 7 9.048 -6.603 -5.002 0.000 -ATOM 15 CA LYS 8 12.480 -7.931 -0.619 0.000 -ATOM 16 CB LYS 8 12.918 -5.569 0.212 0.000 -ATOM 17 CA ASP 9 10.718 -11.223 0.083 0.000 -ATOM 18 CB ASP 9 9.266 -10.556 0.689 0.000 -ATOM 19 CA GLY 10 12.553 -12.832 -2.829 0.000 -ATOM 20 CA GLY 11 11.151 -10.915 -5.795 0.000 -ATOM 21 CA PRO 12 7.562 -12.138 -5.548 0.000 -ATOM 22 CB PRO 12 7.036 -11.042 -6.124 0.000 -ATOM 23 CA SER 13 8.619 -15.560 -4.277 0.000 -ATOM 24 CB SER 13 9.746 -15.673 -4.081 0.000 -ATOM 25 CA SER 14 7.597 -14.862 -0.684 0.000 -ATOM 26 CB SER 14 7.251 -13.781 -0.500 0.000 -ATOM 27 CA GLY 15 4.439 -16.406 0.760 0.000 -ATOM 28 CA ARG 16 2.254 -13.381 0.041 0.000 -ATOM 29 CB ARG 16 3.952 -11.043 0.921 0.000 -ATOM 30 CA PRO 17 0.540 -12.214 -3.143 0.000 -ATOM 31 CB PRO 17 0.523 -11.039 -2.489 0.000 -ATOM 32 CA PRO 18 2.842 -10.866 -5.849 0.000 -ATOM 33 CB PRO 18 2.203 -11.793 -6.585 0.000 -ATOM 34 CA PRO 19 2.726 -7.133 -6.548 0.000 -ATOM 35 CB PRO 19 3.657 -7.052 -5.581 0.000 -ATOM 36 CA SER 20 4.018 -7.509 -10.102 0.000 -ATOM 37 CB SER 20 5.064 -7.370 -9.644 0.000 -TER -CONECT 1 3 2 -CONECT 3 5 4 -CONECT 5 7 6 -CONECT 7 9 8 -CONECT 9 11 10 -CONECT 11 13 12 -CONECT 13 15 14 -CONECT 15 17 16 -CONECT 17 19 18 -CONECT 19 20 -CONECT 20 21 -CONECT 21 23 22 -CONECT 23 25 24 -CONECT 25 27 26 -CONECT 27 28 -CONECT 28 30 29 -CONECT 30 32 31 -CONECT 32 34 33 -CONECT 34 36 35 -CONECT 36 37 -ENDMDL diff --git a/examples/unres/CSA/GAB/CSA/1l2y_csa@045.pdb b/examples/unres/CSA/GAB/CSA/1l2y_csa@045.pdb deleted file mode 100644 index cc8f078..0000000 --- a/examples/unres/CSA/GAB/CSA/1l2y_csa@045.pdb +++ /dev/null @@ -1,61 +0,0 @@ -REMARK GM 45 e 11551608 m 38514 ENERGY -9.25429E+01 -HELIX 1 H1 TYR 3 GLY 10 1 7 -ATOM 1 CA ASN 1 3.800 0.000 0.000 0.000 -ATOM 2 CB ASN 1 5.419 0.441 0.147 0.000 -ATOM 3 CA LEU 2 4.056 -3.791 0.000 0.000 -ATOM 4 CB LEU 2 3.619 -5.636 -0.407 0.000 -ATOM 5 CA TYR 3 6.086 -3.752 -3.212 0.000 -ATOM 6 CB TYR 3 5.938 -1.303 -3.603 0.000 -ATOM 7 CA ILE 4 9.311 -3.198 -1.281 0.000 -ATOM 8 CB ILE 4 10.019 -1.602 -0.956 0.000 -ATOM 9 CA GLN 5 8.310 -5.856 1.245 0.000 -ATOM 10 CB GLN 5 7.154 -4.391 2.484 0.000 -ATOM 11 CA TRP 6 7.169 -8.126 -1.580 0.000 -ATOM 12 CB TRP 6 5.714 -10.156 -2.322 0.000 -ATOM 13 CA LEU 7 10.250 -7.226 -3.613 0.000 -ATOM 14 CB LEU 7 9.048 -6.604 -5.002 0.000 -ATOM 15 CA LYS 8 12.479 -7.932 -0.618 0.000 -ATOM 16 CB LYS 8 12.918 -5.570 0.212 0.000 -ATOM 17 CA ASP 9 10.716 -11.224 0.084 0.000 -ATOM 18 CB ASP 9 9.264 -10.556 0.690 0.000 -ATOM 19 CA GLY 10 12.551 -12.833 -2.828 0.000 -ATOM 20 CA GLY 11 11.150 -10.917 -5.794 0.000 -ATOM 21 CA PRO 12 7.560 -12.138 -5.547 0.000 -ATOM 22 CB PRO 12 7.034 -11.042 -6.123 0.000 -ATOM 23 CA SER 13 8.617 -15.560 -4.276 0.000 -ATOM 24 CB SER 13 9.744 -15.674 -4.080 0.000 -ATOM 25 CA SER 14 7.595 -14.862 -0.684 0.000 -ATOM 26 CB SER 14 7.249 -13.781 -0.499 0.000 -ATOM 27 CA GLY 15 4.436 -16.405 0.760 0.000 -ATOM 28 CA ARG 16 2.252 -13.380 0.041 0.000 -ATOM 29 CB ARG 16 3.950 -11.043 0.921 0.000 -ATOM 30 CA PRO 17 0.538 -12.213 -3.143 0.000 -ATOM 31 CB PRO 17 0.521 -11.038 -2.489 0.000 -ATOM 32 CA PRO 18 2.841 -10.866 -5.849 0.000 -ATOM 33 CB PRO 18 2.202 -11.793 -6.585 0.000 -ATOM 34 CA PRO 19 2.726 -7.132 -6.548 0.000 -ATOM 35 CB PRO 19 3.657 -7.052 -5.581 0.000 -ATOM 36 CA SER 20 4.018 -7.509 -10.102 0.000 -ATOM 37 CB SER 20 5.064 -7.370 -9.644 0.000 -TER -CONECT 1 3 2 -CONECT 3 5 4 -CONECT 5 7 6 -CONECT 7 9 8 -CONECT 9 11 10 -CONECT 11 13 12 -CONECT 13 15 14 -CONECT 15 17 16 -CONECT 17 19 18 -CONECT 19 20 -CONECT 20 21 -CONECT 21 23 22 -CONECT 23 25 24 -CONECT 25 27 26 -CONECT 27 28 -CONECT 28 30 29 -CONECT 30 32 31 -CONECT 32 34 33 -CONECT 34 36 35 -CONECT 36 37 -ENDMDL diff --git a/examples/unres/CSA/GAB/CSA/1l2y_csa@046.pdb b/examples/unres/CSA/GAB/CSA/1l2y_csa@046.pdb deleted file mode 100644 index c081790..0000000 --- a/examples/unres/CSA/GAB/CSA/1l2y_csa@046.pdb +++ /dev/null @@ -1,61 +0,0 @@ -REMARK GM 46 e 11996534 m 40059 ENERGY -9.25429E+01 -HELIX 1 H1 TYR 3 GLY 10 1 7 -ATOM 1 CA ASN 1 3.800 0.000 0.000 0.000 -ATOM 2 CB ASN 1 5.419 0.441 0.147 0.000 -ATOM 3 CA LEU 2 4.056 -3.791 0.000 0.000 -ATOM 4 CB LEU 2 3.619 -5.636 -0.407 0.000 -ATOM 5 CA TYR 3 6.086 -3.752 -3.212 0.000 -ATOM 6 CB TYR 3 5.938 -1.303 -3.603 0.000 -ATOM 7 CA ILE 4 9.311 -3.198 -1.281 0.000 -ATOM 8 CB ILE 4 10.019 -1.602 -0.956 0.000 -ATOM 9 CA GLN 5 8.310 -5.856 1.245 0.000 -ATOM 10 CB GLN 5 7.154 -4.391 2.484 0.000 -ATOM 11 CA TRP 6 7.169 -8.126 -1.580 0.000 -ATOM 12 CB TRP 6 5.714 -10.156 -2.322 0.000 -ATOM 13 CA LEU 7 10.250 -7.226 -3.613 0.000 -ATOM 14 CB LEU 7 9.048 -6.604 -5.002 0.000 -ATOM 15 CA LYS 8 12.479 -7.932 -0.618 0.000 -ATOM 16 CB LYS 8 12.918 -5.571 0.212 0.000 -ATOM 17 CA ASP 9 10.716 -11.224 0.084 0.000 -ATOM 18 CB ASP 9 9.264 -10.556 0.690 0.000 -ATOM 19 CA GLY 10 12.551 -12.834 -2.828 0.000 -ATOM 20 CA GLY 11 11.150 -10.917 -5.794 0.000 -ATOM 21 CA PRO 12 7.560 -12.138 -5.547 0.000 -ATOM 22 CB PRO 12 7.034 -11.042 -6.123 0.000 -ATOM 23 CA SER 13 8.616 -15.560 -4.276 0.000 -ATOM 24 CB SER 13 9.744 -15.674 -4.080 0.000 -ATOM 25 CA SER 14 7.594 -14.862 -0.683 0.000 -ATOM 26 CB SER 14 7.249 -13.781 -0.499 0.000 -ATOM 27 CA GLY 15 4.436 -16.405 0.760 0.000 -ATOM 28 CA ARG 16 2.252 -13.380 0.041 0.000 -ATOM 29 CB ARG 16 3.950 -11.043 0.921 0.000 -ATOM 30 CA PRO 17 0.538 -12.213 -3.143 0.000 -ATOM 31 CB PRO 17 0.521 -11.038 -2.489 0.000 -ATOM 32 CA PRO 18 2.841 -10.866 -5.849 0.000 -ATOM 33 CB PRO 18 2.202 -11.793 -6.585 0.000 -ATOM 34 CA PRO 19 2.726 -7.132 -6.548 0.000 -ATOM 35 CB PRO 19 3.657 -7.051 -5.581 0.000 -ATOM 36 CA SER 20 4.018 -7.509 -10.102 0.000 -ATOM 37 CB SER 20 5.064 -7.370 -9.644 0.000 -TER -CONECT 1 3 2 -CONECT 3 5 4 -CONECT 5 7 6 -CONECT 7 9 8 -CONECT 9 11 10 -CONECT 11 13 12 -CONECT 13 15 14 -CONECT 15 17 16 -CONECT 17 19 18 -CONECT 19 20 -CONECT 20 21 -CONECT 21 23 22 -CONECT 23 25 24 -CONECT 25 27 26 -CONECT 27 28 -CONECT 28 30 29 -CONECT 30 32 31 -CONECT 32 34 33 -CONECT 34 36 35 -CONECT 36 37 -ENDMDL diff --git a/examples/unres/CSA/GAB/CSA/1l2y_csa_12569.int b/examples/unres/CSA/GAB/CSA/1l2y_csa_12569.int deleted file mode 100644 index ff13feb..0000000 --- a/examples/unres/CSA/GAB/CSA/1l2y_csa_12569.int +++ /dev/null @@ -1,2600 +0,0 @@ - 1 -87.936 0 - 93.9779 90.9693 89.4753 89.4522 89.3392 89.2763 89.3423 89.3750 - 91.4116 95.6442 132.9479 94.0456 94.5850 133.6960 118.7637 129.5417 - 119.1810 119.3925 93.2047 93.2701 - 125.2076 82.5179 55.6319 42.0308 50.7027 56.2533 52.7098 48.5877 - 169.2963 102.6479 -54.7278 79.5003 -57.0159 -158.2824 171.6209 -87.8151 - -108.9166 -138.6156 75.9049 - 142.5474 130.2592 97.7287 169.5901 136.2606 125.1125 132.8436 125.5367 - 138.4122 0.0000 0.0000 132.6533 118.4186 125.4910 0.0000 109.7703 - 118.1219 111.5255 101.8891 111.7453 - -2.8928 4.7871 -88.7130 -163.1769 -125.1306 36.6412 -140.3263 -136.3401 - -114.8129 0.0000 0.0000 -155.8974 -75.9947 -80.5283 0.0000 -128.1407 - -124.2929 -111.0991 -108.9100 -78.3099 - 2 -86.365 0 - 93.8153 93.1208 124.7412 91.4906 90.3342 90.9250 90.0317 89.7695 - 91.6351 109.7936 118.1199 92.5831 93.2212 94.9227 94.8328 130.4515 - 117.2451 118.1353 93.5550 93.4106 - 108.9334 125.1910 -90.7293 53.1549 42.1481 68.4886 51.2111 77.9930 - -1.3972 -84.5578 -58.7969 69.3104 150.2920 -72.2255 57.2277 -78.3315 - -108.7962 -162.6955 38.2350 - 148.3012 137.1340 92.1119 145.1709 124.4538 117.2562 153.1577 84.1881 - 136.0856 0.0000 0.0000 102.3713 132.7909 123.2596 0.0000 127.9840 - 112.7865 131.8812 91.9872 112.0958 - -17.2924 -29.4512 -91.3176 -121.3716 -96.6148 -19.5166 -93.9759 -82.7034 - -124.9837 0.0000 0.0000 -103.0248 178.3201 -145.7218 0.0000 -125.0758 - -117.8365 -140.8514 -87.6720 -82.0911 - 3 -84.914 0 - 93.8620 91.2977 89.7107 89.3562 89.4212 89.8807 90.2449 90.3692 - 91.8175 99.4341 95.5786 92.5759 93.6134 109.5212 95.3815 134.5681 - 120.2430 118.7194 118.5324 121.8656 - 119.8359 89.0851 52.4485 43.5542 46.4565 56.2384 68.0840 100.0577 - -16.8736 -73.0258 -22.0284 107.0451 109.7725 -88.7787 70.2050 -85.8581 - -109.9845 -136.4294 -118.4467 - 147.3654 130.8994 92.3296 147.6143 127.7634 141.3502 132.5124 79.5125 - 146.3379 0.0000 0.0000 103.2125 127.7047 120.4558 0.0000 135.2671 - 113.6344 117.0969 119.2147 121.4730 - -12.3430 -1.0164 -85.4261 -105.6109 -140.1394 17.9605 -164.5319 -83.7365 - -142.5493 0.0000 0.0000 -99.7294 -128.4938 -129.0135 0.0000 -91.4295 - -118.1109 -118.2638 -121.2889 -81.0655 - 4 -86.122 0 - 117.8297 125.0227 92.2601 90.0950 90.0858 91.2693 90.8999 92.4363 - 92.4487 121.4614 131.0013 105.6787 91.8884 92.7934 124.3342 115.3509 - 115.7070 119.8892 92.7779 93.3665 - -74.7659 173.9819 73.4818 45.0512 48.4240 48.4791 39.1189 60.1271 - -77.1300 -64.2986 -38.3775 -29.8641 100.0210 10.9474 -11.5860 -75.6744 - -109.6435 -144.4568 52.6537 - 114.8019 159.9359 141.0887 149.5460 114.7228 132.9962 137.8582 131.2076 - 132.1690 0.0000 0.0000 91.6465 114.6428 105.8388 0.0000 91.2411 - 117.7218 128.8534 97.3710 110.9885 - -81.1911 -8.2561 85.2356 -94.1096 -68.3325 42.0161 -127.5206 -132.3146 - -126.2284 0.0000 0.0000 -80.7009 -75.9611 -79.7954 0.0000 -59.0330 - -121.1535 -136.2977 -95.2162 -81.8067 - 5 -85.429 0 - 93.9288 91.6985 91.8586 91.3419 90.7951 92.0938 90.7816 91.0706 - 94.5685 93.4819 140.1014 93.9981 128.3104 128.5476 95.3506 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129.9940 - 134.9748 0.0000 0.0000 88.0065 115.5985 122.4838 0.0000 126.9679 - 110.4929 115.1535 102.3314 111.3214 - -20.5998 -132.1159 -34.1312 -97.9575 -108.5293 -133.4478 -32.5969 -141.0364 - -114.6755 0.0000 0.0000 -68.9068 -74.1218 -140.9318 0.0000 -70.5539 - -114.2613 -115.5778 -96.0221 -80.9601 - 186 -84.09 0 - 93.7629 93.2120 125.6483 92.0300 90.2490 90.6403 90.6489 91.4127 - 92.2430 93.6747 107.9789 101.9114 117.6302 121.6955 113.0329 113.6448 - 117.4333 117.9901 92.3755 93.0976 - 98.8993 122.5135 -100.4389 58.6844 41.6505 50.5315 48.8768 48.0865 - -115.9637 125.5576 -0.9807 -173.9041 175.4422 -61.8851 -11.7679 -81.0660 - -112.8192 -111.7421 89.6106 - 149.0575 143.7986 90.5800 144.7781 110.9611 147.7067 145.7506 137.2785 - 140.2071 0.0000 0.0000 89.2643 142.9528 116.4668 0.0000 97.8772 - 119.0490 110.1507 130.4829 101.2606 - -25.2522 -29.2212 -99.0385 -118.7760 -34.7417 102.6356 -118.3116 -141.5486 - -108.4742 0.0000 0.0000 -93.4485 -165.2301 -83.0975 0.0000 -59.3189 - -124.0520 -111.0580 -154.2150 -76.7506 - 187 -84.93 0 - 93.8307 91.3795 90.3207 89.1818 90.4588 90.5389 90.4657 92.1351 - 90.9752 109.9644 112.5049 92.2801 93.3407 92.4365 110.4132 128.5201 - 116.8630 119.4187 117.4880 121.7507 - 94.6138 71.0292 61.3267 48.5498 43.9084 51.1943 43.1555 67.7447 - -67.4511 -62.9395 -67.1515 67.3314 110.5482 -53.7731 -27.8461 -85.0836 - -110.2018 -140.6319 -119.5589 - 147.4837 141.4618 125.1216 148.6409 109.2785 151.7357 138.2380 135.0053 - 140.6344 0.0000 0.0000 131.8349 113.4377 117.5138 0.0000 115.6621 - 115.3695 110.1362 128.4270 121.9859 - -14.8053 -51.2328 103.9378 -91.1397 -58.8273 55.9385 -142.8579 -136.4295 - -118.1772 0.0000 0.0000 -157.6702 -76.4716 -81.6110 0.0000 -57.2385 - -122.2217 -109.0744 -137.3681 -80.5647 - 188 -84.11 0 - 93.9322 91.2741 89.4452 90.7689 90.7179 92.3192 91.3308 92.1998 - 92.5114 94.6668 132.5372 93.1382 139.7091 117.2748 95.6894 123.8154 - 121.6412 119.9674 93.1388 93.2118 - 126.8953 85.9058 56.8230 38.4335 48.9393 61.7039 134.1954 79.4888 - -83.3771 164.2549 -54.8416 83.7390 -171.9389 -59.4914 73.9597 -80.1536 - -161.4738 -111.2385 82.8292 - 145.9656 130.7549 97.9540 164.1723 129.5778 132.9769 136.6419 125.3607 - 104.7124 0.0000 0.0000 92.5260 119.8939 116.8111 0.0000 120.4906 - 113.4169 110.5203 131.8157 107.2420 - -1.9069 -1.2925 -85.8358 -122.6012 -121.8204 87.1169 -130.7073 -140.2618 - -82.2735 0.0000 0.0000 -73.1934 -87.3072 -77.4313 0.0000 -132.3139 - -116.5918 -107.9391 -155.4876 -77.2048 - 189 -88.03 0 - 93.8871 91.3137 91.1319 90.4474 90.0585 91.2977 90.3437 91.1626 - 92.7025 136.9451 108.5643 91.7154 90.9221 106.6602 95.2744 126.7264 - 114.5831 117.1689 93.3836 93.3076 - 121.7340 84.3218 47.2840 43.0209 45.7201 52.3873 42.2884 56.5966 - 178.4753 -69.3575 -8.3744 76.9615 -7.7097 -119.5723 142.3707 -84.5530 - -112.1162 -141.9033 72.0308 - 146.7370 126.2155 94.4429 151.4416 118.3233 125.7682 133.1469 130.4122 - 130.5133 0.0000 0.0000 100.8990 109.8092 110.6721 0.0000 152.1312 - 91.3369 122.4507 136.1226 113.4157 - -9.0397 -18.1356 -88.8695 -97.6192 -121.0512 37.4962 -147.8121 -132.7794 - -130.2880 0.0000 0.0000 -96.9624 -76.5525 -77.5070 0.0000 -14.3424 - -88.1573 -128.0969 -161.0322 -77.3506 - 190 -84.07 0 - 93.9302 91.5362 90.5055 89.8337 90.1052 90.9925 90.3875 92.2750 - 92.0957 114.6004 94.0581 90.2909 90.9126 107.5864 95.3509 136.3731 - 117.2043 115.5802 93.7134 93.3058 - 123.6088 89.1374 49.5186 42.9128 45.7379 51.8690 42.6282 65.0584 - -62.0523 -164.7129 45.2911 45.4398 -167.3807 158.4233 83.4567 -85.2530 - -107.1973 -143.9847 73.2968 - 144.8285 134.6051 97.2265 150.1651 122.2740 123.0266 129.9413 131.2522 - 142.7738 0.0000 0.0000 99.7159 111.2271 127.4029 0.0000 108.4943 - 108.2164 116.2479 132.2629 113.3851 - -7.0044 -16.7109 -86.5146 -99.1273 -127.1228 54.8024 -153.3254 -134.8356 - -139.2700 0.0000 0.0000 -99.5651 -77.8539 -179.7852 0.0000 -61.4666 - -111.0672 -120.0494 -158.3387 -77.2484 - 191 -84.72 0 - 94.0049 91.4470 90.8470 90.1061 90.1999 90.4005 90.1082 90.8225 - 91.6725 94.9726 133.7768 100.8771 93.6874 93.6319 124.2579 123.9168 - 118.4113 118.5216 93.5051 93.3001 - 126.4854 90.1600 48.8016 42.7932 48.6084 48.5032 49.0123 61.3566 - -124.7514 133.4246 -56.2866 174.9381 100.9353 -16.3195 -38.9612 -79.7338 - -110.3472 -139.6187 76.4907 - 141.7460 135.5881 126.2946 149.4035 121.1114 151.4397 138.3332 134.3364 - 134.1374 0.0000 0.0000 97.4157 130.6890 113.4060 0.0000 134.5345 - 120.0003 116.7528 132.3268 112.6425 - -1.6916 -16.7015 108.0867 -92.1671 -127.9291 38.2731 -129.3503 -134.9211 - -110.8363 0.0000 0.0000 -86.4976 -179.5651 -77.4640 0.0000 73.9667 - -126.8734 -118.7536 -156.2052 -77.3604 - 192 -87.07 0 - 93.9049 91.6031 91.6909 90.8333 89.7447 90.2938 90.8380 91.9163 - 92.1180 94.3912 137.6987 106.8441 93.3016 120.8671 95.9291 132.3030 - 117.7925 121.0479 92.7739 93.2910 - 114.5713 84.6276 41.5910 48.0730 44.6719 46.1115 52.7450 58.8785 - -102.4935 148.8073 -46.0842 -178.1906 112.6813 -87.2164 85.0170 -87.3966 - -106.4882 -140.0021 85.5336 - 144.2859 134.3361 147.3806 140.3172 118.6132 150.0601 135.1852 129.3088 - 111.7241 0.0000 0.0000 92.4757 115.4107 114.3788 0.0000 89.8290 - 120.4382 107.4834 101.8051 108.6651 - -11.7563 -17.1014 109.4292 -92.0955 -129.2909 7.1371 175.5171 -108.3587 - -80.3460 0.0000 0.0000 -82.7752 -76.7258 -81.3339 0.0000 -62.7021 - -127.4655 -104.9145 -111.1958 -79.1959 - 193 -87.92 0 - 93.9316 107.4875 111.4879 90.0349 89.2251 90.7448 90.1098 91.5193 - 90.7745 109.3404 101.5101 92.9173 93.2757 121.0527 95.8945 127.1485 - 118.7968 123.6542 93.3807 93.3420 - 130.1083 -174.5650 -167.9089 53.8376 42.9027 56.7747 40.8824 73.9909 - -55.7872 -71.7746 -26.9133 101.0893 106.1010 -86.3304 75.7326 -78.1160 - -113.3274 -164.9702 57.0982 - 146.9319 138.0054 118.7216 145.3970 109.1535 148.2804 137.0580 99.4722 - 133.2005 0.0000 0.0000 140.6756 114.8411 133.3076 0.0000 134.5074 - 114.6522 112.1100 103.9678 111.9476 - -4.9583 -26.8792 -124.1582 -104.0364 -92.5082 -25.8553 -159.9889 -98.8019 - -137.6780 0.0000 0.0000 -168.8000 -78.4438 -162.1115 0.0000 -88.4509 - -119.9634 -110.8298 -104.1443 -80.1530 - 194 -84.39 0 - 93.9910 91.6461 90.2655 90.6514 90.4209 91.1669 90.9636 91.4641 - 93.4844 93.8138 133.3044 93.7299 124.3027 127.4889 119.3982 127.2095 - 119.4004 120.3575 117.7483 121.9083 - 114.3390 78.5295 49.0397 37.6000 46.9758 45.2451 45.9812 45.4682 - -165.7116 134.9342 -38.4432 84.6936 -105.9965 -86.8018 -175.2644 -88.0720 - -112.0458 -137.6472 -118.8047 - 139.7936 139.2011 109.5775 164.8602 125.0454 136.8587 133.1662 138.4745 - 145.6374 0.0000 0.0000 99.2121 121.2199 121.2685 0.0000 110.6338 - 117.3071 110.1038 120.8248 121.5973 - -7.7029 -12.6868 -72.1813 -126.0834 -107.1165 88.8080 -107.7568 -142.0855 - -23.2640 0.0000 0.0000 -100.5121 -76.5801 -80.0031 0.0000 -128.5970 - -122.7991 -108.8530 -126.1098 -81.0795 - 195 -86.38 0 - 93.7233 92.9514 132.1866 92.4878 90.3776 90.3775 89.9122 90.3294 - 91.5698 95.4045 132.9755 93.6868 93.9775 131.0483 115.8161 133.3060 - 117.3398 117.7591 93.1128 93.3328 - 98.9825 129.6091 -97.8472 61.5789 43.9799 54.9452 50.5816 53.9343 - 166.2672 100.3101 -52.3769 77.6849 -55.0469 -159.5505 172.2804 -75.0483 - -103.9476 -145.7277 61.2151 - 151.7552 136.7288 95.2627 160.9179 119.8915 122.3258 134.3034 131.4915 - 141.6122 0.0000 0.0000 132.4398 117.0010 125.1054 0.0000 112.5705 - 114.3532 110.3728 108.2230 113.2815 - -25.1094 -32.9950 -97.7690 -151.1646 -51.7292 43.3726 -138.7156 -134.2827 - -125.1645 0.0000 0.0000 -155.8348 -75.8508 -79.5689 0.0000 -124.1940 - -121.1674 -110.6898 -126.3543 -78.7917 - 196 -88.87 0 - 93.8091 93.4949 111.6678 90.1619 89.4922 89.7323 90.2877 92.2183 - 92.0331 118.6730 119.3590 113.2730 93.0678 130.5535 95.2006 127.2427 - 115.9236 119.5083 92.6806 93.3298 - 55.1870 177.1199 166.3634 75.0170 51.4293 55.3117 38.2339 65.5393 - -65.7808 -55.4763 -46.7234 107.5801 109.1856 -101.9317 70.8710 -85.0378 - -115.1681 -143.0323 71.8485 - 146.2962 138.1775 110.6838 124.9348 104.0205 123.8894 143.3614 129.3101 - 136.6185 0.0000 0.0000 133.5512 115.7136 113.7705 0.0000 113.7936 - 88.5575 117.8193 131.9429 109.5094 - -24.7720 -50.8025 -64.7112 -113.9961 -106.6202 37.4074 -171.9884 -132.6831 - -127.0058 0.0000 0.0000 -146.5021 -76.3929 -83.0886 0.0000 -106.6418 - -87.2553 -119.7629 -154.5811 -80.9765 - 197 -87.52 0 - 93.9374 91.5502 91.2157 90.5434 89.8042 90.0523 90.7259 92.2925 - 91.7507 94.5152 125.0465 110.2773 92.4032 92.3175 94.6333 125.9200 - 117.8930 119.0145 93.3730 93.3189 - 121.1052 88.5935 43.4491 48.8000 45.6086 46.9775 45.0174 62.2067 - -104.5120 135.9852 -40.5474 -166.4287 80.8710 -85.3545 165.2557 -69.1659 - -108.0864 -139.1284 69.5549 - 143.6013 134.5662 138.0689 142.7322 122.4203 143.5742 138.9394 137.2841 - 112.1115 0.0000 0.0000 86.8155 138.6220 110.0183 0.0000 149.2573 - 112.2892 120.0806 100.4370 112.7179 - -9.1963 -15.1329 109.7741 -90.1969 -132.5690 -21.7886 -161.9155 -131.2520 - -77.4449 0.0000 0.0000 -69.3636 -113.4213 -76.9071 0.0000 -33.9374 - -115.2396 -123.0718 -105.8621 -78.2939 - 198 -85.58 0 - 93.9691 92.4043 90.2519 88.7989 89.4060 90.5626 90.2943 90.7504 - 92.0936 94.9149 125.1844 93.9358 125.2828 129.8595 127.7153 127.2854 - 118.8926 113.4655 93.0506 93.2710 - 108.3265 151.6265 89.8803 45.1006 47.7150 48.0846 47.8545 50.9753 - 172.6133 136.3558 -31.4389 82.3524 -104.9506 -89.4621 -172.1899 -88.4148 - -108.4001 -136.5161 86.2021 - 141.4115 139.1139 99.1516 148.2219 95.5772 127.4661 137.7331 133.5160 - 141.9239 0.0000 0.0000 97.0956 122.2726 122.4901 0.0000 110.8089 - 126.4471 98.5214 104.3007 109.8354 - -2.3399 -21.9297 -94.2534 -110.6243 -59.2629 63.5127 -111.8795 -136.9015 - -126.3093 0.0000 0.0000 -98.3345 -75.3255 -80.5540 0.0000 -109.0518 - -137.3888 -85.9156 -112.9157 -77.4914 - 199 -83.35 0 - 93.8924 91.3007 90.7859 90.3890 90.2578 91.3347 90.3037 92.1551 - 91.0674 95.7604 145.8627 127.9520 93.8814 139.2587 93.8859 107.5764 - 115.1071 119.4461 93.3176 93.3701 - 122.4347 85.7122 46.8169 44.3855 43.7624 49.3631 45.2713 79.7595 - -96.1423 49.4872 -72.5879 165.0378 87.2604 -179.3461 66.1957 -66.0504 - -107.4695 -140.5048 51.4613 - 146.5933 128.2325 94.1244 150.4991 120.7247 134.3749 132.6223 135.8918 - 140.6589 0.0000 0.0000 113.4618 108.2868 125.0655 0.0000 71.8503 - 120.5394 113.4717 95.5365 111.7904 - -8.7744 -14.6561 -86.3695 -100.1338 -125.9279 29.9025 -144.5754 -133.3044 - -130.7800 0.0000 0.0000 -110.0096 -74.7711 -84.2570 0.0000 -73.3859 - -128.3280 -113.2912 -100.9704 -81.4244 - 200 -88.06 0 - 93.7392 93.0555 127.4739 91.5159 89.8419 90.0791 89.9853 90.8689 - 91.7628 95.8336 142.2185 132.2540 92.8573 127.9142 95.5646 120.1546 - 122.4162 110.3173 94.1948 93.4313 - 111.5820 123.6463 -95.7555 55.0677 41.9172 66.5631 43.8303 74.9811 - -77.1157 171.6109 -53.2654 157.1470 104.1280 -55.5894 82.1154 -81.1536 - -163.3524 -165.8557 29.1627 - 152.8467 131.7543 94.4938 144.3777 123.8961 117.5398 154.4433 83.8191 - 138.2770 0.0000 0.0000 107.4963 113.6075 119.9297 0.0000 117.6122 - 116.3624 136.7681 90.5766 116.2814 - -19.3190 -38.4191 -91.2834 -114.5461 -89.8784 -28.3611 -150.3332 -77.7266 - -120.5416 0.0000 0.0000 -101.2719 -76.0821 -82.2299 0.0000 -57.4186 - -119.5327 -153.9562 -80.1864 -80.2624 diff --git a/examples/unres/CSA/GAB/CSA/1l2y_csa_GB000.mol2 b/examples/unres/CSA/GAB/CSA/1l2y_csa_GB000.mol2 deleted file mode 100644 index e69de29..0000000 diff --git a/examples/unres/CSA/GAB/CSA/1l2y_csa_GB000.pdb b/examples/unres/CSA/GAB/CSA/1l2y_csa_GB000.pdb deleted file mode 100644 index e69de29..0000000 diff --git a/examples/unres/CSA/GAB/CSA/1l2y_csa_GB000.stat b/examples/unres/CSA/GAB/CSA/1l2y_csa_GB000.stat deleted file mode 100644 index e69de29..0000000 diff --git a/examples/unres/CSA/GAB/CSA/global/restrained/1l2y_csa.CSA.bank b/examples/unres/CSA/GAB/CSA/global/restrained/1l2y_csa.CSA.bank new file mode 100644 index 0000000..f77f09c --- /dev/null +++ b/examples/unres/CSA/GAB/CSA/global/restrained/1l2y_csa.CSA.bank @@ -0,0 +1,4202 @@ + jlee = 1 nbank = 200 nstep = 42600 13010120 2 276.07904 + nglob_csa = 50 eglob_csa = -9.24904E+01 + # 1 total E -8.74779E+01 rmsd from N 0.000 %NC 0.00 1 + 93.986 127.309 143.206 -0.385 + 91.436 89.201 137.186 -22.553 + 91.097 46.859 121.586 103.535 + 89.863 45.314 147.763 -91.612 + 89.898 46.179 119.722-127.620 + 90.374 54.853 116.407 33.196 + 90.034 41.609 145.582-148.359 + 92.065 69.187 128.843-135.558 + 91.942 -61.246 139.108-131.190 + 114.812 -73.452 0.000 0.000 + 117.223 -61.956 0.000 0.000 + 93.792 91.385 137.238-164.691 + 94.890 81.309 117.600 -76.933 + 92.196 -85.987 113.628 -66.560 + 93.635 158.185 0.000 0.000 + 134.826 -84.755 154.428 109.155 + 116.592-106.800 114.727-122.661 + 113.087-138.465 101.761 -85.507 + 93.486 85.241 128.505-152.418 + 93.281 0.000 110.470 -77.489 + # 2 total E -8.56005E+01 rmsd from N 0.000 %NC 0.00 1 + 93.900 123.193 146.421 -7.576 + 91.296 84.592 126.205 -19.924 + 91.316 45.061 95.715 -87.541 + 90.945 43.878 151.104 -98.127 + 90.184 44.139 118.737-120.668 + 91.389 53.570 128.895 31.994 + 90.134 41.190 132.235-153.829 + 91.130 57.289 130.433-135.219 + 92.960-178.551 135.424-109.094 + 94.578 139.074 0.000 0.000 + 123.305 -16.496 0.000 0.000 + 103.083-155.960 95.424 -98.442 + 133.497 174.045 124.648 -83.529 + 112.978 -70.822 114.961 -80.899 + 95.188 39.949 0.000 0.000 + 112.914 -82.843 129.117 56.570 + 122.759-169.377 112.794-110.315 + 125.645-165.387 115.027-113.983 + 93.484 87.924 132.854-158.477 + 93.310 0.000 111.770 -77.558 + # 3 total E -8.65549E+01 rmsd from N 0.000 %NC 0.00 1 + 93.897 121.165 145.962 -9.538 + 91.557 84.632 136.205 -24.627 + 91.252 45.276 126.894 115.225 + 90.431 43.409 147.850 -92.739 + 89.964 46.224 118.512-122.849 + 90.501 51.040 156.891 24.180 + 91.073 45.315 142.329-143.444 + 93.212 110.386 132.453-134.067 + 90.204 -45.592 143.110 -83.840 + 98.573 -39.390 0.000 0.000 + 105.958 -13.383 0.000 0.000 + 98.618 -43.432 97.322 -83.589 + 93.989 -25.061 115.035 -76.917 + 106.840 -57.747 115.269 -78.166 + 94.829 78.876 0.000 0.000 + 124.161 -78.904 90.218 -62.871 + 116.554-112.470 115.945-120.133 + 122.333-156.171 125.708-128.600 + 94.181 63.588 100.619-100.258 + 93.295 0.000 117.120 -74.785 + # 4 total E -8.81158E+01 rmsd from N 0.000 %NC 0.00 1 + 93.706 36.727 108.497 -80.964 + 91.691 84.414 129.496 -22.344 + 91.626 44.027 122.647 91.521 + 91.050 43.726 150.203 -94.802 + 90.733 45.069 118.499-119.437 + 91.974 50.469 135.274 32.819 + 90.863 37.572 141.333 -92.027 + 92.307 60.459 131.008-133.112 + 92.849 -76.247 129.361-134.025 + 126.290 -67.596 0.000 0.000 + 136.131 -32.349 0.000 0.000 + 109.098 -30.610 91.818 -81.267 + 90.627 93.715 129.860 141.526 + 91.571 1.995 103.615 -80.081 + 118.701 -12.242 0.000 0.000 + 129.592 -73.250 127.558 -59.295 + 121.104-147.278 110.535-110.829 + 121.394-108.743 112.832-113.218 + 118.301-118.572 116.768-120.804 + 121.884 0.000 121.493 -81.089 + # 5 total E -8.68042E+01 rmsd from N 0.000 %NC 0.00 1 + 118.803-121.022 150.106 -16.353 + 118.746 170.365 163.117 -16.528 + 91.403 75.537 135.706 49.640 + 90.572 54.401 142.244-100.605 + 89.780 47.415 119.807 -74.673 + 91.055 50.441 131.704 38.200 + 90.590 38.321 143.446-114.617 + 92.384 61.840 129.780-133.971 + 92.105 -74.028 133.400-122.806 + 120.773 -67.443 0.000 0.000 + 132.242 -38.386 0.000 0.000 + 106.217 -28.974 93.534 -84.924 + 91.478 98.138 128.338 143.982 + 91.914 6.211 106.499 -79.147 + 120.762 -14.675 0.000 0.000 + 123.058 -82.252 97.996 -55.843 + 116.734-107.980 117.868-120.905 + 118.152-138.890 132.922-142.140 + 93.245 68.858 96.734 -95.640 + 93.408 0.000 127.001-130.683 + # 6 total E -9.02355E+01 rmsd from N 0.000 %NC 0.00 1 + 93.879 122.570 147.420 -8.674 + 91.375 84.330 126.983 -25.891 + 91.416 44.409 94.468 -85.471 + 90.671 44.436 148.601 -95.323 + 90.321 43.022 117.605-122.709 + 91.193 48.292 155.222 32.973 + 90.818 44.376 131.145-154.831 + 92.022 71.265 137.211-132.978 + 90.874 -65.998 134.817-124.866 + 110.041 -67.533 0.000 0.000 + 112.508 -55.980 0.000 0.000 + 92.479 76.433 139.963-169.255 + 92.673 107.795 112.932 -76.390 + 124.242 -87.381 117.372 -84.838 + 94.741 73.996 0.000 0.000 + 126.798 -73.457 140.272 -62.441 + 119.754-111.381 107.699-110.186 + 119.205-137.768 111.978-113.000 + 117.479-118.313 125.292-132.324 + 121.796 0.000 121.443 -80.965 + # 7 total E -8.87795E+01 rmsd from N 0.000 %NC 0.00 1 + 93.949 109.031 142.588 -3.016 + 92.405 149.606 133.454 -24.123 + 90.335 92.747 101.597 -95.122 + 89.988 49.474 164.051-155.695 + 89.143 47.690 125.972 -60.693 + 89.865 55.194 111.307 29.318 + 90.406 38.093 140.062-132.477 + 92.512 72.083 127.191-139.691 + 93.403 -49.884 141.399-123.778 + 129.020-143.295 0.000 0.000 + 92.014 45.292 0.000 0.000 + 91.802 62.940 96.665 -95.727 + 92.453 -47.529 134.336-120.048 + 122.501-164.648 124.302 -78.420 + 128.443 179.809 0.000 0.000 + 130.748 -80.528 109.015-114.384 + 118.176-105.135 124.258-133.843 + 119.607-137.430 107.199-104.969 + 93.114 87.262 106.155-115.417 + 93.268 0.000 109.883 -77.260 + # 8 total E -8.74436E+01 rmsd from N 0.000 %NC 0.00 1 + 93.874 120.473 147.045 -10.943 + 91.361 85.925 128.815 -15.137 + 90.811 45.725 93.060 -87.898 + 90.238 45.683 146.946 -97.033 + 90.093 42.794 120.989-128.279 + 90.981 48.420 144.886 24.868 + 90.371 43.804 131.463-159.549 + 91.963 75.187 136.872-133.707 + 90.592 -95.518 137.850-122.574 + 95.578 52.714 0.000 0.000 + 151.319 -71.377 0.000 0.000 + 129.197 162.808 105.926 -98.068 + 94.051 81.190 111.219 -79.149 + 121.967 -48.571 124.678 -80.157 + 95.684 90.498 0.000 0.000 + 124.574 -77.581 114.049-111.226 + 120.067-113.912 114.351-119.318 + 119.288-167.488 108.127-108.074 + 92.846 86.673 102.692-113.298 + 93.441 0.000 120.229-135.544 + # 9 total E -8.94140E+01 rmsd from N 0.000 %NC 0.00 1 + 93.979 126.110 143.146 -2.575 + 91.378 88.776 131.586 -18.454 + 90.831 47.487 125.237 98.582 + 89.815 45.942 149.610 -93.035 + 90.237 45.299 120.757-129.300 + 91.018 49.933 126.934 39.993 + 90.604 39.842 142.940-124.122 + 92.033 62.041 132.891-133.302 + 91.711 -72.972 130.962-132.317 + 119.848 -66.463 0.000 0.000 + 127.638 -44.372 0.000 0.000 + 105.545 -28.244 93.552 -87.584 + 91.523 99.257 126.844 131.621 + 91.685 10.777 106.307 -78.922 + 119.920 -14.368 0.000 0.000 + 128.547 -82.032 91.883 -64.157 + 118.219-162.899 114.181-117.120 + 124.014-144.806 116.190-115.625 + 93.237 54.223 95.662 -95.747 + 93.361 0.000 111.171 -81.490 + # 10 total E -8.64701E+01 rmsd from N 0.000 %NC 0.00 1 + 93.875 107.963 146.033 -10.338 + 91.440 75.135 142.022 -35.492 + 91.648 43.110 168.975 13.306 + 90.749 48.453 146.311 -93.619 + 89.754 44.322 115.001-126.560 + 90.532 58.607 129.013 37.329 + 90.033 40.649 149.972-142.146 + 91.803 59.796 127.210-136.891 + 92.200 -70.771 138.725-121.529 + 117.112 -46.620 0.000 0.000 + 119.310 -58.028 0.000 0.000 + 108.436 156.915 132.730-148.814 + 93.909 84.617 115.216 -75.336 + 93.851 -90.023 116.727 -80.188 + 93.838 159.195 0.000 0.000 + 135.621 -83.915 156.211-103.146 + 116.705-106.766 112.847-120.075 + 119.316-138.504 110.379-109.575 + 117.449-118.674 126.406-135.916 + 121.825 0.000 121.605 -80.918 + # 11 total E -8.68832E+01 rmsd from N 0.000 %NC 0.00 1 + 93.940 126.287 145.306 -2.956 + 91.455 88.312 134.880 -27.207 + 90.832 47.064 122.229 101.454 + 89.424 47.387 146.309 -90.804 + 89.733 44.555 120.649-129.079 + 90.221 52.190 121.296 28.417 + 90.027 40.484 145.607-155.218 + 91.816 67.213 131.729-134.919 + 91.367 -62.120 135.569-126.213 + 117.267 -82.693 0.000 0.000 + 128.632 -84.201 0.000 0.000 + 92.972 48.888 135.219-162.988 + 92.541 54.749 113.324 -76.050 + 111.254 -56.354 113.476 -82.572 + 128.315 77.667 0.000 0.000 + 125.483 -68.097 161.286 -7.804 + 119.262-113.061 106.577-109.078 + 120.427-141.403 117.061-118.934 + 93.333 70.104 102.866-104.887 + 93.313 0.000 112.873 -78.075 + # 12 total E -8.81242E+01 rmsd from N 0.000 %NC 0.00 1 + 93.853 99.757 146.810 -12.386 + 91.418 72.579 137.419 -39.338 + 91.189 46.420 117.890 104.606 + 90.095 49.129 141.930 -89.758 + 90.085 44.207 119.280-125.493 + 90.800 49.635 146.236 38.682 + 90.530 43.147 138.917-169.396 + 92.015 68.572 135.246-133.663 + 91.341 -70.793 136.408-122.806 + 112.817 -69.279 0.000 0.000 + 119.058 -62.322 0.000 0.000 + 92.765 66.667 136.498-165.370 + 92.897 97.264 113.352 -76.298 + 127.755 -81.476 118.297 -84.341 + 95.228 80.473 0.000 0.000 + 126.665 -64.229 144.685 -28.050 + 117.789-142.821 84.459 -83.964 + 100.668 136.751 129.537-147.798 + 94.138 23.145 97.830 -87.481 + 93.390 0.000 115.989 -78.540 + # 13 total E -8.88714E+01 rmsd from N 0.000 %NC 0.00 1 + 93.809 54.933 146.285 -24.818 + 93.495 177.091 138.203 -50.735 + 111.666 166.366 110.689 -64.718 + 90.162 75.011 124.942-113.984 + 89.492 51.414 104.024-106.622 + 89.733 55.305 123.890 37.409 + 90.288 38.235 143.374-172.016 + 92.218 65.533 129.294-132.683 + 92.034 -65.780 136.615-126.993 + 118.679 -55.476 0.000 0.000 + 119.360 -46.720 0.000 0.000 + 113.277 107.580 133.545-146.488 + 93.068 109.183 115.713 -76.393 + 130.558-101.935 113.776 -83.086 + 95.200 70.870 0.000 0.000 + 127.242 -85.035 113.795-106.644 + 115.925-115.166 88.572 -87.275 + 119.513-143.018 117.823-119.767 + 92.681 71.820 131.945-154.582 + 93.330 0.000 109.500 -80.980 + # 14 total E -8.61343E+01 rmsd from N 0.000 %NC 0.00 1 + 93.877 114.391 146.077 -11.485 + 91.512 80.621 135.371 -26.963 + 91.619 41.942 130.649 112.442 + 90.642 45.980 144.242 -90.558 + 89.875 43.066 117.935-123.745 + 90.597 55.037 124.566 28.082 + 90.330 37.123 146.721-176.132 + 91.972 62.110 128.736-131.895 + 92.418 -58.183 132.773-125.483 + 124.271 -53.351 0.000 0.000 + 120.664 -18.669 0.000 0.000 + 112.347-150.495 91.146 -71.994 + 92.583 105.566 122.926 -72.385 + 94.040 26.050 113.197 -76.996 + 96.175 61.545 0.000 0.000 + 120.383 -82.228 105.870 -55.372 + 115.166-105.943 122.325-131.187 + 118.675-142.483 108.655-107.388 + 93.308 49.545 102.095-114.398 + 93.365 0.000 114.014 -79.684 + # 15 total E -9.07848E+01 rmsd from N 0.000 %NC 0.00 1 + 93.979 123.124 142.707 -6.634 + 91.531 90.698 137.376 -12.661 + 90.538 45.399 131.023 115.975 + 90.043 46.489 144.876 -92.876 + 89.430 45.706 123.727-135.339 + 89.502 49.909 149.621 -4.998 + 90.227 44.256 141.554-160.886 + 91.674 74.421 133.299-133.148 + 90.469 -57.306 133.059-133.056 + 108.450 -70.511 0.000 0.000 + 100.819 -27.242 0.000 0.000 + 92.835 100.516 138.528-165.188 + 93.125 109.027 115.223 -78.308 + 118.791 -85.905 127.716-156.165 + 95.385 73.948 0.000 0.000 + 127.876 -79.501 135.295 -51.481 + 118.668-111.715 114.159-118.209 + 120.869-147.134 111.853-112.248 + 93.035 86.102 100.051-105.105 + 93.399 0.000 119.599-130.560 + # 16 total E -9.02345E+01 rmsd from N 0.000 %NC 0.00 1 + 93.865 101.042 146.217 -11.661 + 91.390 71.029 135.942 -43.490 + 91.942 43.899 134.498 113.358 + 90.699 49.253 141.110 -91.456 + 90.006 41.541 121.528-119.557 + 91.018 53.878 155.170 -96.911 + 90.365 40.288 138.348 175.409 + 92.045 70.772 106.489 -98.176 + 91.021 -67.023 132.849-129.918 + 106.912 -64.764 0.000 0.000 + 99.550 -28.387 0.000 0.000 + 92.971 104.757 136.944-162.882 + 93.706 115.094 114.917 -76.595 + 114.734 -86.492 117.192 -79.388 + 95.275 71.015 0.000 0.000 + 129.792 -82.406 117.893-105.027 + 118.325-110.578 121.466-130.053 + 105.140-170.787 97.856 -97.289 + 92.488 61.596 103.902-115.268 + 93.343 0.000 110.290 -81.288 + # 17 total E -9.24904E+01 rmsd from N 0.000 %NC 0.00 1 + 93.868 122.977 148.170 -8.645 + 91.464 84.174 130.251 -30.996 + 91.852 43.327 94.826 -84.392 + 90.922 43.887 146.544 -93.725 + 90.160 42.585 117.378-119.725 + 90.812 49.527 162.874 35.845 + 90.630 46.600 132.926-168.550 + 92.025 75.460 136.347-130.156 + 90.248 -65.297 132.218-135.739 + 102.247 -65.729 0.000 0.000 + 98.018 -33.247 0.000 0.000 + 92.853 104.667 140.506-169.802 + 94.368 103.573 113.317 -77.200 + 122.253 -96.697 118.368 -77.820 + 94.612 79.794 0.000 0.000 + 130.489 -68.620 127.257 -88.618 + 119.007-110.221 106.504-109.617 + 117.734-161.495 112.262-114.394 + 93.732 58.057 103.705-114.202 + 93.417 0.000 125.686-143.015 + # 18 total E -8.91004E+01 rmsd from N 0.000 %NC 0.00 1 + 93.859 99.803 146.566 -12.013 + 91.396 71.307 139.839 -40.194 + 90.661 49.661 120.858 114.549 + 89.556 45.791 146.710 -91.625 + 89.956 45.083 118.369-122.486 + 90.606 50.176 152.263 33.983 + 90.380 41.643 138.159-150.503 + 92.046 67.834 133.061-135.030 + 91.155 -67.572 136.331-115.038 + 112.209 -62.207 0.000 0.000 + 117.937 -54.522 0.000 0.000 + 92.816 74.647 140.637-169.734 + 93.447 98.871 112.911 -76.293 + 114.380 -71.755 152.034 -93.606 + 96.836 80.901 0.000 0.000 + 130.652 -84.130 156.194-112.496 + 121.444-113.225 107.546-109.898 + 118.001-143.863 118.152-121.870 + 93.279 67.250 106.887-106.472 + 93.318 0.000 112.973 -78.304 + # 19 total E -8.51105E+01 rmsd from N 0.000 %NC 0.00 1 + 94.015 127.361 141.548 0.269 + 90.959 84.736 131.292 -0.082 + 89.774 52.849 102.197 -86.804 + 90.168 42.922 169.282-146.056 + 90.006 44.998 133.001-124.710 + 90.142 55.600 130.497 34.012 + 90.619 45.163 136.117-137.815 + 91.372 84.782 130.843-143.074 + 92.060 -3.611 145.240-148.322 + 107.761 -80.156 0.000 0.000 + 94.545 -32.018 0.000 0.000 + 95.480 149.638 141.335-168.773 + 93.310 82.318 112.651 -77.323 + 141.694-106.043 122.086 -88.081 + 95.486 86.835 0.000 0.000 + 130.096 -69.173 125.290-113.030 + 118.181-110.235 113.939-119.720 + 119.987-115.422 109.835-109.092 + 118.452-117.076 117.946-122.549 + 122.012 0.000 120.804 -81.725 + # 20 total E -8.73809E+01 rmsd from N 0.000 %NC 0.00 1 + 93.898 120.470 145.620 -10.629 + 91.522 88.194 132.092 -16.414 + 90.440 49.176 91.884 -84.266 + 89.884 43.010 148.223 -97.024 + 90.395 44.912 121.359-127.200 + 91.090 47.114 150.132 40.633 + 90.726 43.826 131.349-145.866 + 92.164 70.698 136.134-134.770 + 90.853 -67.218 137.665-115.009 + 111.039 -62.748 0.000 0.000 + 116.295 -60.794 0.000 0.000 + 92.710 66.437 135.054-161.956 + 93.065 96.041 113.390 -76.398 + 93.586 -37.010 111.040 -80.870 + 114.986 -24.388 0.000 0.000 + 125.839 -84.778 79.651 -67.261 + 117.082-111.206 118.085-124.387 + 120.615-107.341 114.509-111.340 + 92.931 79.816 92.265-103.300 + 93.236 0.000 106.916 -78.661 + # 21 total E -8.53321E+01 rmsd from N 0.000 %NC 0.00 1 + 93.715 41.500 108.746 -80.694 + 91.770 80.587 138.227 -30.050 + 90.822 47.738 123.748 103.274 + 89.904 44.782 149.218 -93.956 + 90.194 45.924 118.014-123.750 + 91.073 50.565 124.822 31.692 + 90.387 43.137 142.278-125.412 + 91.554 67.604 131.885-132.850 + 93.125-104.071 134.586-138.707 + 137.859 -77.711 0.000 0.000 + 126.212 -40.470 0.000 0.000 + 92.567 64.655 135.054-161.620 + 92.648 84.375 112.977 -76.344 + 128.763-110.368 116.881 -85.321 + 95.474 73.067 0.000 0.000 + 133.170 -66.209 157.638 -45.757 + 119.113-109.086 106.069-109.029 + 120.928-137.482 112.509-111.612 + 117.759-118.526 123.018-129.677 + 121.949 0.000 121.523 -81.119 + # 22 total E -8.53832E+01 rmsd from N 0.000 %NC 0.00 1 + 93.855 95.991 146.256 -14.443 + 92.892 148.511 140.042 -38.566 + 129.541-126.619 92.542-103.811 + 91.890 65.175 144.694-100.731 + 90.600 43.099 101.256 -94.211 + 91.999 54.725 120.124 47.406 + 90.826 39.944 131.296-146.862 + 93.106 73.005 133.323-136.581 + 94.076 -96.066 145.156-138.631 + 130.600 -71.217 0.000 0.000 + 107.685 -24.853 0.000 0.000 + 92.750 98.885 97.683 -86.658 + 94.517 97.650 106.844 -79.198 + 126.005-134.735 115.601 -74.715 + 93.993 64.855 0.000 0.000 + 122.665 -75.158 108.437 -65.688 + 109.613-163.762 93.308 -86.507 + 129.396-166.622 116.346-112.135 + 93.665 79.947 91.381 -93.556 + 93.324 0.000 109.115 -80.836 + # 23 total E -8.86830E+01 rmsd from N 0.000 %NC 0.00 1 + 119.057-138.818 147.531 -15.771 + 118.570-101.297 141.772 -38.153 + 91.050 56.093 132.598 117.987 + 90.287 45.575 144.541 -97.040 + 89.478 46.704 123.454-106.143 + 89.690 51.413 153.330 -1.486 + 90.272 44.227 139.279-161.300 + 91.426 74.592 106.841-102.649 + 90.449 -59.236 131.443-136.269 + 107.262 -69.479 0.000 0.000 + 100.286 -27.991 0.000 0.000 + 92.878 101.019 138.350-165.117 + 93.334 110.533 115.297 -78.376 + 119.093 -87.728 127.725-155.990 + 95.261 72.826 0.000 0.000 + 127.081 -78.035 129.732 -71.788 + 119.048-112.712 113.082-117.640 + 120.723-145.675 112.896-113.748 + 93.091 84.875 98.668-102.026 + 93.426 0.000 120.664-129.217 + # 24 total E -8.66571E+01 rmsd from N 0.000 %NC 0.00 1 + 93.726 8.132 100.087 -79.850 + 92.894 179.596 140.839 -24.231 + 91.814 69.505 132.521 115.218 + 90.348 37.982 150.698 -95.876 + 89.733 56.250 130.069 -51.196 + 89.961 55.010 136.198 31.969 + 89.931 37.092 132.756-150.076 + 92.488 62.131 129.748-132.849 + 91.817 -68.986 138.228-103.795 + 115.010 -62.408 0.000 0.000 + 129.650 -52.581 0.000 0.000 + 103.125 -24.082 135.603-157.551 + 91.800 98.221 137.954-174.008 + 91.587 0.918 110.784 -75.940 + 106.267 -55.503 0.000 0.000 + 137.432-114.767 99.286 -58.246 + 117.315-109.446 119.101-126.501 + 119.722-143.365 116.348-116.742 + 93.241 88.410 102.109-103.199 + 93.281 0.000 109.434 -78.015 + # 25 total E -8.51086E+01 rmsd from N 0.000 %NC 0.00 1 + 94.041 103.918 137.097 -1.509 + 93.080 160.783 140.522 -45.018 + 106.289 166.067 110.967 -66.630 + 90.505 72.100 129.058-112.750 + 89.542 47.123 117.865-120.845 + 89.758 57.348 124.559 25.087 + 90.291 33.788 144.027-169.397 + 92.539 66.478 128.243-133.362 + 92.187 -51.375 135.973-118.759 + 120.875 -62.167 0.000 0.000 + 121.377 -27.510 0.000 0.000 + 115.549-143.494 132.563-143.853 + 120.989-144.359 115.011 -83.877 + 94.680 36.963 115.939 -76.372 + 96.369 58.627 0.000 0.000 + 119.906 -89.675 141.593 -26.425 + 118.691-156.177 113.967-116.269 + 119.576-170.038 138.249-149.903 + 92.988 77.839 108.686-109.829 + 93.319 0.000 112.255 -78.292 + # 26 total E -8.57344E+01 rmsd from N 0.000 %NC 0.00 1 + 93.936 122.106 143.970 -8.186 + 91.482 87.407 133.400 -16.372 + 91.391 42.376 133.687 108.685 + 90.237 48.574 144.131 -90.838 + 89.814 42.785 120.145-131.803 + 90.394 53.578 128.168 29.993 + 90.378 35.861 143.902-176.299 + 92.194 59.950 130.161-132.784 + 92.207 -60.007 134.227-110.717 + 124.520 -52.092 0.000 0.000 + 123.594 -16.386 0.000 0.000 + 114.946-165.366 84.324 -75.516 + 93.964 144.152 114.343 -74.964 + 126.014 -73.684 115.455 -82.154 + 94.582 69.295 0.000 0.000 + 116.233 -68.374 94.948 -75.835 + 117.471-110.070 117.639-124.715 + 118.396-132.375 149.332-166.697 + 92.809 82.600 90.171 -99.824 + 93.402 0.000 120.738-124.615 + # 27 total E -9.14878E+01 rmsd from N 0.000 %NC 0.00 1 + 93.853 102.470 146.981 -11.750 + 91.473 75.389 139.011 -32.603 + 91.093 45.436 123.065 117.437 + 90.093 45.383 141.974 -90.973 + 89.741 44.977 118.384-122.845 + 90.407 47.144 156.796 20.251 + 90.712 46.814 135.508-179.906 + 91.968 75.730 136.719-128.772 + 90.229 -65.233 130.683-136.791 + 104.016 -68.468 0.000 0.000 + 98.749 -28.979 0.000 0.000 + 93.183 104.563 136.633-162.451 + 94.032 96.946 114.957 -76.671 + 122.450 -91.308 119.738 -77.043 + 94.878 86.469 0.000 0.000 + 133.284 -65.144 136.671-109.035 + 116.151-134.348 84.188-103.727 + 122.899-169.732 111.276-110.615 + 93.446 53.996 97.850 -97.559 + 93.349 0.000 111.546 -80.748 + # 28 total E -8.54431E+01 rmsd from N 0.000 %NC 0.00 1 + 93.724 18.160 102.429 -79.210 + 92.616 173.492 148.423-141.544 + 90.675 74.162 123.485 -38.125 + 89.697 52.303 134.911 -94.570 + 89.517 47.511 131.213-109.478 + 89.255 47.480 101.164-145.173 + 90.494 46.987 153.454 174.541 + 92.156 72.028 135.066-130.415 + 91.786 -53.729 107.328 -72.223 + 110.776-141.261 0.000 0.000 + 92.274 44.065 0.000 0.000 + 89.837 50.035 97.671 -96.779 + 89.997 40.977 113.874 -75.599 + 94.007-160.732 117.846 -79.944 + 94.382 129.332 0.000 0.000 + 130.187 -77.579 146.763 -79.908 + 117.016-106.452 117.036-125.033 + 120.582-142.550 110.895-109.414 + 93.092 76.289 107.419-118.574 + 93.307 0.000 112.051 -78.031 + # 29 total E -8.67800E+01 rmsd from N 0.000 %NC 0.00 1 + 117.048-175.134 147.787 -17.604 + 114.934-116.140 145.535 -31.399 + 92.025 53.835 128.633 104.641 + 90.291 42.725 140.003 -89.166 + 90.237 47.059 108.183 -64.781 + 90.343 46.346 155.401 47.655 + 90.663 49.396 139.837 173.521 + 91.979 75.381 136.892-131.178 + 90.320 -68.744 135.800-128.281 + 102.254 -65.650 0.000 0.000 + 98.737 -33.435 0.000 0.000 + 92.651 102.911 136.657-163.779 + 94.611 116.856 112.451 -77.331 + 115.713 -87.445 121.469 -80.451 + 95.438 66.633 0.000 0.000 + 128.660 -87.536 108.517 -97.085 + 118.096-111.496 120.893-128.709 + 121.959-166.220 111.475-110.711 + 93.357 46.397 100.121-100.259 + 93.362 0.000 113.090 -80.087 + # 30 total E -8.53120E+01 rmsd from N 0.000 %NC 0.00 1 + 93.865 95.179 145.851 -13.486 + 91.347 72.043 136.694 -83.541 + 90.260 57.551 126.433 108.161 + 88.689 46.422 146.739 -92.664 + 89.416 46.593 119.123 -81.686 + 90.481 52.164 137.004 35.957 + 90.172 37.450 136.082-161.831 + 92.151 59.603 128.783-132.675 + 91.944 -73.123 132.904-115.886 + 117.887 -65.818 0.000 0.000 + 130.488 -57.022 0.000 0.000 + 103.631 -17.322 136.513-159.920 + 91.949 93.335 127.832 9.269 + 91.318 -3.070 113.370 -74.769 + 108.279 -46.782 0.000 0.000 + 131.563-124.241 93.978 -60.680 + 120.737-169.724 126.335-138.409 + 93.283 119.429 103.476 -92.548 + 92.964 95.991 106.683-119.237 + 93.378 0.000 112.387 -78.930 + # 31 total E -8.63717E+01 rmsd from N 0.000 %NC 0.00 1 + 93.918 124.129 145.666 -6.642 + 91.177 90.233 130.579 -0.617 + 89.760 55.100 98.910 -87.517 + 89.656 42.458 150.749 -97.572 + 90.013 45.774 127.669-140.590 + 90.435 55.910 126.668 61.891 + 90.195 40.741 142.810-137.734 + 92.077 64.442 127.908-135.649 + 92.511 -41.753 142.800-153.459 + 114.309-159.237 0.000 0.000 + 94.129 44.869 0.000 0.000 + 90.411 48.519 97.944 -96.865 + 90.359 42.409 112.337 -80.018 + 95.622-162.717 111.600 -75.944 + 93.883 144.008 0.000 0.000 + 133.684 -78.890 144.220-114.017 + 114.581-109.197 86.059 -92.044 + 116.397-141.438 114.855-117.618 + 93.773 74.131 129.037-153.578 + 93.305 0.000 113.009 -77.421 + # 32 total E -8.77598E+01 rmsd from N 0.000 %NC 0.00 1 + 93.704 22.826 106.313 -81.349 + 92.383 163.790 145.583-135.141 + 91.130 64.476 122.329 -41.484 + 90.524 51.671 169.675 170.376 + 89.545 47.718 127.755 -68.236 + 89.585 47.390 112.096-140.443 + 90.104 60.993 154.106-143.513 + 90.160 96.689 127.059-113.888 + 92.223 -47.612 101.828 -85.737 + 96.489 81.571 0.000 0.000 + 132.125 -59.289 0.000 0.000 + 133.326 167.238 100.152 -88.523 + 130.518 166.455 120.231 -80.095 + 113.723 -76.426 114.921 -79.581 + 94.810 62.125 0.000 0.000 + 125.421 -81.266 82.856 -72.050 + 118.806-162.932 111.489-114.349 + 113.713-140.923 122.923-131.144 + 94.148 64.190 100.960 -93.785 + 93.314 0.000 115.018 -76.793 + # 33 total E -9.03486E+01 rmsd from N 0.000 %NC 0.00 1 + 115.872 -51.337 110.271 -81.997 + 91.781 80.008 132.528 -29.777 + 92.103 42.164 99.482 -81.655 + 91.213 44.069 147.184 -98.549 + 90.126 42.234 119.907-113.023 + 90.935 51.949 164.881 20.187 + 90.428 45.855 132.810-169.205 + 91.691 75.031 108.901-101.706 + 90.319 -65.480 131.063-136.901 + 102.722 -66.019 0.000 0.000 + 98.213 -32.390 0.000 0.000 + 92.905 104.842 140.523-169.605 + 94.393 103.771 113.694 -77.112 + 121.371 -96.082 119.611 -77.591 + 94.791 80.013 0.000 0.000 + 131.184 -68.968 126.671 -92.014 + 118.668-109.176 108.218-112.091 + 117.897-161.115 111.558-113.273 + 93.734 58.347 103.087-114.680 + 93.419 0.000 125.315-143.521 + # 34 total E -8.68120E+01 rmsd from N 0.000 %NC 0.00 1 + 93.895 121.875 146.237 -9.380 + 91.319 86.740 128.443 -14.547 + 90.594 48.931 95.958 -90.449 + 89.723 44.172 149.983 -96.631 + 89.895 46.521 121.442-127.456 + 90.781 49.870 123.671 50.022 + 90.058 46.583 127.722-155.084 + 90.878 56.962 133.750-135.697 + 91.969 169.552 141.694-123.304 + 95.459 104.166 0.000 0.000 + 124.979 -51.121 0.000 0.000 + 110.182 172.638 132.149-145.997 + 121.215 177.527 119.583 -79.928 + 94.521 31.749 115.891 -76.354 + 96.431 71.494 0.000 0.000 + 124.269 -80.735 149.833 -96.910 + 118.915-112.455 108.306-110.487 + 118.830-142.299 112.829-114.125 + 116.014-118.310 134.815-148.100 + 121.705 0.000 121.567 -80.701 + # 35 total E -9.08499E+01 rmsd from N 0.000 %NC 0.00 1 + 93.858 122.355 148.577 -9.327 + 91.450 83.370 127.936 -32.586 + 91.867 44.201 92.874 -82.727 + 91.056 43.894 147.676 -99.670 + 90.004 42.850 119.564-113.319 + 90.968 52.595 164.371 10.654 + 90.461 46.067 131.722-166.473 + 91.610 74.432 108.066-102.991 + 90.421 -65.209 129.818-137.835 + 103.320 -66.301 0.000 0.000 + 98.765 -31.866 0.000 0.000 + 92.856 104.216 139.924-168.551 + 94.388 102.538 113.487 -77.136 + 122.730 -95.180 119.904 -77.614 + 94.724 81.071 0.000 0.000 + 130.883 -69.067 129.424 -94.994 + 118.972-107.755 109.619-113.875 + 118.416-139.270 110.477-111.523 + 117.210-118.157 127.227-136.658 + 121.768 0.000 121.487 -80.867 + # 36 total E -8.68202E+01 rmsd from N 0.000 %NC 0.00 1 + 93.704 41.018 108.943 -81.310 + 92.621 168.359 145.981 -31.163 + 94.428 95.456 142.958-106.889 + 108.811 -56.642 124.537 -69.511 + 90.728 80.088 111.045 -96.809 + 91.191 48.440 121.400 35.424 + 90.418 44.371 157.376-135.563 + 91.475 62.492 116.128-140.842 + 91.652 -66.509 131.008-132.299 + 116.056 -60.883 0.000 0.000 + 125.800 -56.247 0.000 0.000 + 103.063 -21.829 139.745-164.588 + 92.736 97.440 130.914 130.432 + 92.325 6.742 110.392 -75.799 + 119.277 -11.171 0.000 0.000 + 128.519 -78.470 91.512 -61.158 + 116.511-106.930 118.393-123.151 + 118.831-138.931 141.230-153.315 + 93.519 51.795 90.635 -99.264 + 93.363 0.000 113.381 -80.041 + # 37 total E -8.90749E+01 rmsd from N 0.000 %NC 0.00 1 + 93.792 85.658 146.674 -26.487 + 92.928 118.781 148.531 -31.945 + 134.278 -96.052 86.410 -99.786 + 91.549 59.584 142.733-105.772 + 90.266 44.247 113.968 -82.937 + 90.600 52.465 153.774 35.328 + 90.881 66.106 131.387 -55.197 + 91.781 102.966 132.229-128.569 + 91.207 -25.001 145.725-132.075 + 101.595 -71.388 0.000 0.000 + 98.848 -21.444 0.000 0.000 + 93.314 102.336 134.284-157.461 + 94.074 112.016 119.569 -75.254 + 120.644 -98.972 117.985 -83.513 + 95.192 64.066 0.000 0.000 + 129.777 -86.007 101.420 -62.643 + 117.260-111.394 114.680-119.860 + 122.483-149.084 113.128-111.272 + 92.264 80.442 106.813-116.928 + 93.323 0.000 108.297 -81.112 + # 38 total E -8.63785E+01 rmsd from N 0.000 %NC 0.00 1 + 93.968 125.811 143.522 -3.220 + 91.460 89.974 135.284 -17.486 + 91.085 45.310 124.605 105.970 + 89.397 45.031 143.366 -87.904 + 89.696 48.679 121.273-131.429 + 89.592 54.135 133.546 57.032 + 90.159 36.651 140.617-172.638 + 92.480 58.289 127.331-131.285 + 92.529 -52.848 142.180-119.447 + 123.339 -65.183 0.000 0.000 + 123.397 -21.595 0.000 0.000 + 94.727 86.161 83.913 -83.072 + 135.651 -92.010 150.993 -0.366 + 123.753 -58.323 118.739 -79.997 + 95.502 72.055 0.000 0.000 + 117.567 -79.597 84.761 -64.449 + 116.457-112.316 112.499-114.625 + 120.559-145.403 134.139-143.926 + 92.693 74.982 101.139-100.898 + 93.324 0.000 110.201 -80.100 + # 39 total E -8.68515E+01 rmsd from N 0.000 %NC 0.00 1 + 93.754 104.902 150.801 -23.093 + 92.934 123.590 138.113 -40.535 + 124.648 -90.543 86.421 -93.041 + 90.456 58.796 142.635-120.050 + 89.599 41.371 123.771-106.147 + 89.307 65.587 132.906 -23.193 + 89.500 44.489 154.114-159.507 + 90.215 66.463 86.375 -79.304 + 90.872 -57.469 133.666-118.248 + 115.694 -80.745 0.000 0.000 + 120.519 -43.788 0.000 0.000 + 104.316 178.879 133.443-149.722 + 94.221 67.148 108.300 -78.584 + 93.309 -92.273 122.578 -80.351 + 94.494 152.697 0.000 0.000 + 134.213-110.332 144.396-111.458 + 118.333-108.608 116.261-122.385 + 118.417-149.389 114.423-116.123 + 94.016 47.242 97.537 -93.518 + 93.411 0.000 132.482-138.694 + # 40 total E -8.55525E+01 rmsd from N 0.000 %NC 0.00 1 + 93.728 94.257 150.596 -27.351 + 93.058 127.003 141.556 -41.311 + 129.720 -98.097 96.072-103.026 + 92.364 51.216 150.256-105.008 + 90.694 41.912 105.517 -67.773 + 91.750 47.249 154.519 104.060 + 90.568 68.301 139.042-107.754 + 91.000 26.831 135.588-117.877 + 92.574-115.711 102.324 -75.358 + 92.656 147.330 0.000 0.000 + 93.603 47.234 0.000 0.000 + 89.094 50.630 108.144-120.267 + 89.746 41.298 111.752 -77.386 + 94.555-119.910 109.763 -76.763 + 94.503 154.449 0.000 0.000 + 131.334 -82.776 137.629 -69.172 + 117.875-106.534 120.058-127.726 + 119.368-140.323 110.543-110.491 + 93.289 62.303 96.692-103.954 + 93.334 0.000 112.519 -79.327 + # 41 total E -8.60147E+01 rmsd from N 0.000 %NC 0.00 1 + 93.872 83.800 145.287 -13.939 + 92.967 166.488 137.994 -40.152 + 108.763 170.501 110.783 -71.429 + 91.069 72.124 132.019-110.773 + 90.138 46.261 123.901-127.523 + 91.059 54.774 121.482 15.070 + 90.600 31.351 140.305-144.350 + 93.229 69.337 125.603-133.194 + 93.089 -51.882 136.089-114.474 + 130.672 -76.998 0.000 0.000 + 142.757 -26.056 0.000 0.000 + 107.399 -26.584 95.388 -87.026 + 91.399 98.214 118.431 140.931 + 91.630 3.357 105.234 -78.965 + 117.770 -21.646 0.000 0.000 + 129.314 -70.536 131.408 -60.498 + 119.072-135.194 111.105-112.879 + 123.278-167.750 117.307-118.587 + 93.578 65.662 100.158 -97.861 + 93.320 0.000 113.541 -78.024 + # 42 total E -8.92478E+01 rmsd from N 0.000 %NC 0.00 1 + 93.867 120.696 147.416 -11.375 + 91.444 88.604 130.115 -16.256 + 90.551 47.997 93.522 -85.809 + 89.267 46.033 143.814 -95.418 + 89.255 50.169 122.469-131.982 + 89.326 49.465 154.897 37.301 + 90.704 63.894 130.789 -54.201 + 91.633 102.851 133.595-133.261 + 91.165 -24.542 145.746-130.390 + 101.275 -71.578 0.000 0.000 + 98.682 -21.781 0.000 0.000 + 93.334 102.680 134.276-157.496 + 94.172 113.218 119.596 -75.258 + 120.899-100.099 118.070 -84.237 + 95.352 64.014 0.000 0.000 + 126.788 -87.506 99.223 -62.448 + 116.861-110.626 119.582-126.942 + 121.349-147.136 111.612-109.776 + 92.290 77.985 104.702-112.240 + 93.326 0.000 108.160 -81.508 + # 43 total E -8.54811E+01 rmsd from N 0.000 %NC 0.00 1 + 93.925 122.239 144.626 -8.575 + 91.517 89.633 132.622 -18.327 + 91.379 44.661 132.267 95.621 + 90.105 47.017 140.812 -90.342 + 89.788 45.026 121.124-131.023 + 90.442 46.833 147.236 4.767 + 90.560 44.342 139.860 155.064 + 91.699 69.533 136.740-132.886 + 90.903 -97.076 132.712-117.010 + 94.526 145.024 0.000 0.000 + 135.383 -59.762 0.000 0.000 + 121.512 178.360 110.694-110.057 + 123.682 161.537 121.096 -80.241 + 93.810 -69.172 111.745 -78.375 + 93.773 49.438 0.000 0.000 + 121.671 -86.212 88.707 -74.953 + 116.824-168.397 113.871-119.429 + 118.523-138.433 125.675-133.331 + 94.030 57.163 98.452 -90.453 + 93.334 0.000 114.985 -77.776 + # 44 total E -8.56397E+01 rmsd from N 0.000 %NC 0.00 1 + 93.882 122.022 146.849 -9.265 + 91.266 85.364 125.313 -16.032 + 90.617 47.153 95.239 -89.489 + 89.986 44.949 150.467 -97.281 + 90.280 44.750 123.394-124.223 + 91.489 46.522 123.099 75.498 + 91.068 44.035 127.735-146.794 + 91.915 54.775 137.787-134.887 + 92.742 168.317 144.408-142.571 + 94.869 98.022 0.000 0.000 + 117.202 -33.121 0.000 0.000 + 108.548-176.796 134.113-150.528 + 92.180 102.302 137.872 -19.260 + 93.388 32.272 113.955 -77.577 + 95.386 62.566 0.000 0.000 + 110.303 -74.499 138.610 -37.946 + 117.362-110.881 119.904-127.189 + 121.989-139.018 111.249-108.691 + 93.321 79.271 132.839-155.994 + 93.296 0.000 111.908 -77.547 + # 45 total E -8.78274E+01 rmsd from N 0.000 %NC 0.00 1 + 93.705 44.852 109.193 -81.125 + 92.953 172.755 144.487 -20.377 + 91.877 78.502 146.413 108.210 + 89.733 46.976 145.168 -94.576 + 89.255 47.242 114.469 -66.853 + 90.171 48.367 156.418 4.250 + 90.661 42.913 134.439-162.158 + 92.187 73.407 132.762-132.040 + 90.902 -59.491 132.138-133.325 + 108.153 -68.979 0.000 0.000 + 101.124 -27.396 0.000 0.000 + 93.011 99.948 138.895-166.540 + 93.071 105.795 115.141 -78.851 + 125.939 -87.619 129.299-154.495 + 95.506 74.862 0.000 0.000 + 124.414 -79.745 135.217 -86.828 + 119.858-111.519 115.641-121.049 + 119.577-133.654 110.297-110.332 + 118.512-118.647 117.709-121.357 + 121.885 0.000 121.525 -81.075 + # 46 total E -8.89890E+01 rmsd from N 0.000 %NC 0.00 1 + 93.876 119.003 146.709 -11.086 + 91.492 83.180 141.673 -29.887 + 91.212 46.184 114.910 111.811 + 90.266 46.228 148.048 -89.762 + 90.706 44.162 119.703-125.280 + 90.679 51.782 151.306 51.345 + 90.366 42.675 140.196-144.322 + 92.076 67.926 133.685-135.562 + 91.326 -67.874 139.191-121.746 + 111.327 -62.726 0.000 0.000 + 119.581 -65.956 0.000 0.000 + 92.971 70.532 134.911-159.793 + 92.218 125.478 114.267 -77.052 + 93.625 -68.981 122.797-167.003 + 96.370 69.922 0.000 0.000 + 131.641 -95.497 107.571 -54.293 + 116.967-111.042 120.852-127.683 + 125.557-167.467 114.418-111.816 + 92.776 54.656 98.105 -97.193 + 93.350 0.000 111.115 -81.088 + # 47 total E -8.50772E+01 rmsd from N 0.000 %NC 0.00 1 + 93.849 101.979 147.203 -11.639 + 91.105 70.106 126.820 0.607 + 90.313 45.000 107.136 -98.491 + 89.603 45.850 147.705 -97.093 + 89.569 47.065 121.367-128.419 + 90.407 48.950 137.579 26.925 + 90.392 42.867 133.800-149.146 + 92.466 79.306 133.014-134.990 + 91.689 -97.323 139.846-128.159 + 95.677 59.214 0.000 0.000 + 143.238 -75.138 0.000 0.000 + 131.997 157.273 114.596-108.797 + 91.555 101.824 122.253 -79.454 + 92.891 48.450 114.179 -78.472 + 94.933 78.179 0.000 0.000 + 116.804 -80.334 89.591 -63.940 + 117.764-108.862 121.011-128.286 + 118.543-137.559 109.057-108.046 + 93.335 73.419 100.584-108.289 + 93.307 0.000 112.856 -77.641 + # 48 total E -8.72957E+01 rmsd from N 0.000 %NC 0.00 1 + 93.771 102.240 149.432 -22.978 + 92.936 125.534 148.957 -39.155 + 127.003 -92.890 89.556 -95.573 + 91.259 57.884 145.644-115.805 + 89.682 42.780 122.735 -84.986 + 89.532 64.986 124.726 -34.804 + 89.672 42.549 151.189-151.688 + 90.519 66.934 88.189 -77.921 + 91.320 -55.540 135.628-121.485 + 118.550 -70.701 0.000 0.000 + 129.413 -52.756 0.000 0.000 + 117.552 172.320 131.283-139.272 + 92.996 89.783 112.479 -77.731 + 124.629-105.768 119.212 -85.456 + 96.492 89.192 0.000 0.000 + 135.907 -88.481 127.811-111.283 + 119.925-107.389 117.771-123.852 + 118.235-148.647 112.175-113.449 + 93.670 62.522 94.207 -95.976 + 93.406 0.000 128.853-132.130 + # 49 total E -8.61439E+01 rmsd from N 0.000 %NC 0.00 1 + 93.849 119.972 148.306 -12.180 + 91.408 86.291 126.417 -24.325 + 91.905 42.584 94.045 -88.398 + 90.529 45.788 139.968 -91.796 + 89.888 44.213 117.430-124.878 + 90.962 45.259 148.062 35.491 + 90.934 46.987 132.131 149.178 + 91.789 67.366 139.447-131.886 + 91.354-101.891 133.953-113.695 + 94.176 151.150 0.000 0.000 + 141.522 -47.685 0.000 0.000 + 116.616-151.437 116.102-120.096 + 94.444 128.445 115.438 -77.237 + 91.538 -77.701 110.157 -82.133 + 94.522 6.307 0.000 0.000 + 123.653 -79.280 117.202 82.566 + 118.716-161.099 117.731-120.951 + 95.867-171.364 105.003-109.565 + 93.971 68.629 128.100-153.563 + 93.314 0.000 114.134 -77.281 + # 50 total E -8.82215E+01 rmsd from N 0.000 %NC 0.00 1 + 93.896 122.982 146.597 -7.921 + 91.503 84.502 135.508 -24.192 + 90.237 48.520 92.976 -82.617 + 90.136 41.014 154.243 -96.372 + 90.192 45.009 120.156-120.422 + 90.504 54.622 156.615 91.141 + 90.193 41.205 141.132-134.914 + 92.083 61.489 129.233-136.632 + 91.887 -71.036 140.092-122.926 + 112.540 -48.238 0.000 0.000 + 115.000 -72.057 0.000 0.000 + 92.661 68.923 145.791-177.519 + 93.298 119.859 115.287 -76.784 + 121.831 -84.558 129.147-148.563 + 95.733 69.047 0.000 0.000 + 118.739 -74.377 126.837 -52.523 + 119.755-153.691 110.663-111.522 + 122.542-108.288 126.050-128.393 + 118.512-118.355 114.613-117.991 + 121.855 0.000 121.434 -81.067 + # 51 total 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92.206-109.269 147.490 -22.877 + 95.051 135.338 0.000 0.000 + 120.200 -36.701 0.000 0.000 + 111.676 169.367 122.852-131.868 + 93.263 94.709 114.036 -76.933 + 94.364 25.755 114.171 -77.495 + 97.162 76.278 0.000 0.000 + 131.004 -87.811 139.410-108.542 + 119.319-112.135 107.419-109.445 + 118.431-142.134 116.654-119.081 + 93.421 74.535 135.556-160.930 + 93.306 0.000 113.134 -77.276 + # 53 total E -8.77801E+01 rmsd from N 0.000 %NC 0.00 1 + 93.962 125.956 143.932 -3.093 + 91.470 89.669 137.725 -21.808 + 90.395 48.395 123.443 106.945 + 89.334 46.217 147.419 -92.843 + 89.755 46.963 121.917-131.810 + 90.269 47.585 129.216 28.634 + 90.188 47.354 138.608-145.083 + 91.364 68.089 136.545-138.582 + 91.763 -83.307 138.051 -29.359 + 124.003 -88.551 0.000 0.000 + 122.207 -40.798 0.000 0.000 + 92.727 67.532 135.521-162.819 + 93.024 90.923 112.596 -76.291 + 133.746-106.586 118.814 -85.773 + 95.011 76.672 0.000 0.000 + 128.425 -60.976 152.802 -50.984 + 118.341-106.885 105.104-107.538 + 120.147-137.017 113.258-113.217 + 118.052-118.191 120.517-126.113 + 121.898 0.000 121.381 -81.144 + # 54 total E -8.92623E+01 rmsd from N 0.000 %NC 0.00 1 + 93.951 125.435 144.324 -3.931 + 91.303 86.274 127.499 -23.905 + 91.553 44.725 123.668 89.807 + 90.899 43.737 150.510 -94.628 + 90.644 45.199 118.454-119.991 + 91.945 50.452 134.914 32.307 + 90.851 37.634 141.006 -90.535 + 92.295 60.608 131.001-133.252 + 92.814 -75.784 129.292-134.326 + 126.275 -67.684 0.000 0.000 + 136.135 -32.298 0.000 0.000 + 109.056 -30.723 91.810 -81.332 + 90.635 93.776 129.769 141.157 + 91.587 2.122 103.739 -80.078 + 118.853 -12.339 0.000 0.000 + 129.513 -73.290 127.453 -59.131 + 121.190-147.808 110.216-110.297 + 121.370-108.808 112.771-113.212 + 118.295-118.580 116.856-120.932 + 121.884 0.000 121.496 -81.088 + # 55 total E -8.74631E+01 rmsd from N 0.000 %NC 0.00 1 + 118.924-139.556 148.050 -15.973 + 118.492-103.372 142.192 -37.411 + 90.843 58.941 130.290 114.539 + 89.871 40.922 147.841 -94.830 + 90.132 49.693 119.126-104.106 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90.862 44.880 131.788 108.208 + 90.194 45.869 142.873 -89.743 + 89.637 43.302 122.576-131.694 + 90.143 54.721 138.609 4.771 + 90.365 41.262 144.453 165.762 + 91.983 73.558 130.114-134.434 + 92.298 -79.560 136.026-123.477 + 95.027 170.516 0.000 0.000 + 148.944 -39.675 0.000 0.000 + 90.141 53.113 131.732-160.765 + 90.364 50.792 111.315 -77.684 + 93.329-107.446 109.659 -78.673 + 96.263 141.811 0.000 0.000 + 124.697 -85.138 133.090 -57.497 + 118.086-110.216 116.769-122.837 + 118.118-141.731 113.383-115.422 + 93.321 67.050 103.062 -99.139 + 93.322 0.000 112.805 -78.575 + # 59 total E -8.85740E+01 rmsd from N 0.000 %NC 0.00 1 + 93.875 120.723 147.101 -10.507 + 91.294 84.888 125.206 -15.742 + 90.671 48.814 94.127 -89.824 + 90.014 43.168 150.474 -96.319 + 90.098 46.400 117.524-128.321 + 90.711 50.662 127.550 54.805 + 89.964 52.727 130.295-150.532 + 90.339 42.000 135.247-139.049 + 92.260 168.140 146.255 -21.563 + 96.550 101.361 0.000 0.000 + 137.689 -75.173 0.000 0.000 + 123.866 -69.720 107.697-103.742 + 89.843 80.866 124.972 158.406 + 92.091 16.067 111.318 -78.680 + 114.210 -25.670 0.000 0.000 + 128.296 -82.167 153.563 -26.365 + 119.585-111.754 109.290-110.272 + 116.073-141.021 132.881-144.771 + 93.220 71.217 139.008-164.152 + 93.309 0.000 113.597 -77.325 + # 60 total E -8.70486E+01 rmsd from N 0.000 %NC 0.00 1 + 93.830 90.633 145.041 -23.951 + 93.029 113.971 147.840 -31.225 + 133.739 -97.200 86.167 -97.563 + 91.218 61.800 140.599-104.781 + 90.310 42.514 113.158 -98.517 + 90.526 51.530 145.376 37.831 + 90.611 46.409 134.518 -51.417 + 91.772 82.073 136.760-138.151 + 91.724 -11.816 143.215-135.694 + 112.387 -88.160 0.000 0.000 + 113.360 -46.209 0.000 0.000 + 92.369 74.616 138.283-163.970 + 93.863 123.130 112.577 -76.338 + 111.445 -90.243 136.297-105.041 + 94.603 60.308 0.000 0.000 + 128.192 -88.320 103.107 -62.593 + 117.583-111.755 114.366-119.432 + 121.725-147.065 113.065-111.724 + 92.221 81.000 108.087-119.205 + 93.318 0.000 108.742 -80.553 + # 61 total E -8.81042E+01 rmsd from N 0.000 %NC 0.00 1 + 118.978 -91.046 108.795 -78.058 + 112.556-169.353 152.382 -16.728 + 93.048 70.666 133.688 113.193 + 89.864 41.796 151.435 -93.676 + 90.160 48.813 99.893 -65.212 + 90.589 49.319 156.137 43.216 + 90.512 44.109 135.053-138.334 + 92.269 69.143 131.874-135.545 + 91.459 -71.617 137.938-112.884 + 109.603 -50.655 0.000 0.000 + 120.266 -58.859 0.000 0.000 + 93.409 76.478 139.480-167.021 + 93.216 111.409 113.308 -76.562 + 94.301 -74.263 136.014-160.103 + 97.044 86.161 0.000 0.000 + 131.135 -83.746 139.321 -53.169 + 120.882-112.449 108.832-110.201 + 119.095-140.972 117.258-120.347 + 93.375 66.581 101.258-100.960 + 93.322 0.000 112.971 -78.427 + # 62 total E -8.76238E+01 rmsd from N 0.000 %NC 0.00 1 + 93.794 50.320 146.391 -26.899 + 92.721 157.165 150.941 -28.930 + 90.944 80.371 138.738 46.101 + 90.737 53.912 142.124-100.195 + 89.822 46.927 123.954 -66.329 + 91.177 50.731 131.607 38.523 + 90.598 38.617 143.860-116.697 + 92.324 61.494 129.952-134.083 + 92.191 -74.858 133.600-123.936 + 121.223 -66.901 0.000 0.000 + 131.720 -38.714 0.000 0.000 + 106.326 -29.198 93.469 -84.752 + 91.446 98.286 127.745 141.517 + 91.870 6.306 106.237 -79.245 + 120.760 -14.812 0.000 0.000 + 123.785 -81.151 97.009 -55.850 + 116.474-107.187 118.804-122.221 + 118.298-136.853 134.446-144.069 + 93.169 65.858 97.309 -97.733 + 93.408 0.000 127.130-133.783 + # 63 total E -8.86298E+01 rmsd from N 0.000 %NC 0.00 1 + 93.886 120.449 146.628 -8.850 + 91.398 78.926 124.827 -28.069 + 92.682 37.153 88.798 -82.995 + 93.125 46.399 148.643 -94.475 + 91.137 37.833 115.413-119.483 + 92.231 54.338 123.185 -25.890 + 90.628 39.205 143.882-141.374 + 91.949 57.890 134.495-135.503 + 92.905 -88.514 135.299-114.034 + 123.869 -67.970 0.000 0.000 + 106.265 -15.259 0.000 0.000 + 93.042 94.655 133.328-155.791 + 93.617 96.406 112.605 -76.874 + 127.195-112.616 121.436 -82.354 + 95.254 68.867 0.000 0.000 + 127.784 -75.272 113.169-115.010 + 116.962-110.746 116.086-123.792 + 122.284-142.900 110.038-106.596 + 92.292 82.930 106.351-114.864 + 93.309 0.000 108.355 -80.346 + # 64 total E -8.73033E+01 rmsd from N 0.000 %NC 0.00 1 + 93.752 98.588 150.452 -23.234 + 93.007 131.554 147.996 -21.636 + 124.095 -93.788 91.460 -99.647 + 91.974 54.272 148.186-110.363 + 90.357 40.369 112.609 -33.789 + 90.977 51.892 152.153 111.324 + 90.314 47.571 136.228 -54.091 + 91.278 47.955 137.720-140.642 + 92.153-115.699 139.121-105.220 + 94.046 153.090 0.000 0.000 + 127.021 -35.145 0.000 0.000 + 92.260 73.728 86.440 -77.590 + 91.997 109.672 113.057 -76.078 + 93.031 20.051 123.273-155.710 + 96.720 79.685 0.000 0.000 + 127.773 -80.832 135.023 -84.864 + 119.385-113.050 111.787-116.191 + 120.133-144.909 113.942-114.941 + 93.472 46.981 93.202 -94.232 + 93.382 0.000 112.346 -81.485 + # 65 total E -8.94459E+01 rmsd from N 0.000 %NC 0.00 1 + 118.451 -86.608 111.213 -81.234 + 113.417-164.729 152.646 -15.987 + 93.296 65.527 132.030 119.409 + 90.143 46.425 148.156 -97.388 + 89.676 45.722 112.490 -67.796 + 90.576 51.165 160.495 -0.358 + 90.604 42.116 134.488-161.782 + 91.777 72.023 103.459 -98.988 + 90.831 -61.617 130.342-135.552 + 108.292 -69.239 0.000 0.000 + 100.686 -26.929 0.000 0.000 + 93.088 100.642 137.669-163.605 + 93.422 107.614 115.625 -78.721 + 124.432 -89.870 130.103-157.679 + 95.490 74.243 0.000 0.000 + 125.268 -76.865 129.222 -81.643 + 119.340-112.100 111.494-116.168 + 120.052-147.394 112.121-112.917 + 93.104 84.400 101.193-105.652 + 93.425 0.000 120.335-131.467 + # 66 total E -8.92612E+01 rmsd from N 0.000 %NC 0.00 1 + 93.877 110.803 145.967 -10.925 + 91.385 78.133 124.876 -28.198 + 92.403 37.056 147.139 113.656 + 92.157 53.460 139.393 -84.488 + 90.299 39.720 120.522-127.246 + 90.666 52.418 120.898 -39.696 + 90.160 44.538 152.289-164.136 + 91.613 69.345 138.624-133.896 + 90.318 -68.056 139.160-130.581 + 112.715 -75.474 0.000 0.000 + 102.158 -21.306 0.000 0.000 + 92.944 98.160 138.204-162.872 + 93.133 71.527 115.157 -76.419 + 94.456 -94.540 109.485 -85.536 + 93.904 142.989 0.000 0.000 + 136.414 -76.682 145.267 159.576 + 115.672-104.989 115.077-125.825 + 113.366-139.168 100.893 -82.489 + 93.565 84.670 128.006-152.380 + 93.283 0.000 110.709 -77.470 + # 67 total E -8.67310E+01 rmsd from N 0.000 %NC 0.00 1 + 93.719 16.002 102.727 -79.963 + 92.546 171.997 145.896-135.446 + 90.955 80.552 136.468 -43.208 + 90.340 53.337 135.734 -88.273 + 89.706 49.818 123.822-112.623 + 89.251 44.811 99.820-140.782 + 90.182 56.744 149.411-115.496 + 90.100 33.885 140.470-128.810 + 92.202-117.271 99.595 -77.518 + 94.273 152.634 0.000 0.000 + 132.449 -56.766 0.000 0.000 + 91.497 66.368 102.311-101.361 + 90.810 99.076 107.605 -82.089 + 93.417 39.334 122.817-143.420 + 96.196 76.767 0.000 0.000 + 122.285 -84.110 125.690-136.397 + 119.234-109.832 118.818-124.628 + 118.500-139.369 114.165-115.485 + 93.376 74.848 99.114 -92.450 + 93.310 0.000 111.803 -78.406 + # 68 total E -9.09006E+01 rmsd from N 0.000 %NC 0.00 1 + 93.916 124.228 145.832 -6.382 + 91.531 88.264 134.515 -24.768 + 91.782 44.250 123.638 104.026 + 90.122 45.840 141.355 -86.979 + 90.043 45.510 119.356-126.599 + 90.228 47.766 156.385 48.917 + 90.677 47.071 141.968 175.708 + 92.141 74.923 137.115-131.479 + 90.503 -66.672 136.262-130.365 + 103.078 -66.422 0.000 0.000 + 99.034 -33.106 0.000 0.000 + 92.644 102.125 133.636-159.175 + 94.184 126.692 113.396 -78.509 + 107.207 -87.565 120.680-155.645 + 94.933 59.944 0.000 0.000 + 128.271 -82.579 102.281 -59.642 + 116.492-106.786 125.275-134.409 + 122.158-149.762 110.034-108.653 + 92.889 56.863 99.891-105.330 + 93.346 0.000 112.065 -80.232 + # 69 total E -8.77230E+01 rmsd from N 0.000 %NC 0.00 1 + 93.863 128.579 148.030 -18.188 + 116.763-122.613 147.447 -26.349 + 91.944 65.875 131.483 111.483 + 89.763 43.047 149.337 -93.531 + 90.144 47.882 99.790 -75.365 + 90.701 48.858 154.717 41.712 + 90.580 43.726 136.181-136.994 + 92.273 69.116 132.731-135.636 + 91.459 -72.319 137.263-114.582 + 110.313 -49.141 0.000 0.000 + 122.282 -61.435 0.000 0.000 + 93.483 72.301 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-8.61652E+01 rmsd from N 0.000 %NC 0.00 1 + 93.703 38.906 108.680 -81.367 + 92.922 171.791 140.564 -20.510 + 91.665 74.599 136.350 108.637 + 90.128 40.608 150.224 -96.377 + 89.960 50.861 106.000 -49.982 + 90.824 47.380 122.243 53.379 + 90.249 51.344 132.769-138.178 + 90.572 48.925 134.400-139.693 + 92.394 166.184 146.051 -23.366 + 95.023 77.137 0.000 0.000 + 127.058 -53.768 0.000 0.000 + 105.260 167.590 129.840-145.412 + 94.442 175.783 113.562 -82.365 + 94.345 38.683 118.558-176.361 + 95.532 58.611 0.000 0.000 + 112.672 -80.529 126.459 -45.158 + 107.390-164.206 96.062 -90.015 + 135.476-170.690 119.572-111.327 + 92.943 63.758 101.782-108.992 + 93.338 0.000 110.719 -80.753 + # 72 total E -8.51204E+01 rmsd from N 0.000 %NC 0.00 1 + 93.699 14.292 107.239 -82.238 + 92.348 145.768 135.195 -37.780 + 91.398 67.706 118.432 119.882 + 91.265 36.982 154.689-101.337 + 90.247 53.192 121.727 11.032 + 90.582 62.118 112.300 34.078 + 90.322 39.617 138.755-143.328 + 92.917 82.557 133.511-136.828 + 93.176 -63.117 148.491 -16.556 + 117.893 -20.791 0.000 0.000 + 117.447 -52.114 0.000 0.000 + 98.307 -39.235 93.894 -94.080 + 91.169 109.043 141.457 -6.287 + 94.871 23.048 115.291 -80.901 + 96.823 59.585 0.000 0.000 + 129.591-104.676 124.003 -39.865 + 116.788-107.384 121.580-128.554 + 118.738-137.239 111.165-111.451 + 118.898-117.833 117.933-119.372 + 121.814 0.000 121.289 -81.067 + # 73 total E -8.79699E+01 rmsd from N 0.000 %NC 0.00 1 + 93.853 105.247 146.978 -11.569 + 91.467 77.074 140.893 -31.701 + 90.701 47.205 120.869 114.496 + 89.844 46.277 145.151 -91.698 + 89.969 44.453 119.264-124.869 + 90.448 49.197 153.259 29.119 + 90.488 43.845 137.987-159.502 + 91.885 69.896 135.181-134.218 + 90.861 -65.136 135.938-119.839 + 110.558 -70.211 0.000 0.000 + 112.577 -55.874 0.000 0.000 + 92.220 76.959 141.984-172.835 + 92.508 103.301 112.831 -76.367 + 126.048 -81.264 119.044 -84.880 + 94.945 77.793 0.000 0.000 + 126.640 -61.921 149.018 -69.938 + 115.961-148.213 84.664 -94.688 + 118.782-112.504 112.861-114.395 + 116.841-118.506 131.019-140.851 + 121.745 0.000 121.611 -80.753 + # 74 total E -8.95467E+01 rmsd from N 0.000 %NC 0.00 1 + 93.983 125.100 142.453 -4.003 + 91.476 90.106 137.567 -15.388 + 90.363 47.866 127.482 112.926 + 89.374 43.930 148.026 -91.369 + 89.539 47.824 123.089-132.362 + 89.411 51.875 157.945 37.201 + 90.170 42.356 139.945-150.982 + 92.183 73.678 129.529-134.698 + 91.057 -60.147 136.094-131.461 + 105.793 -65.564 0.000 0.000 + 102.434 -35.888 0.000 0.000 + 92.659 99.004 138.351-166.948 + 93.441 107.682 111.016 -78.808 + 95.542 -83.476 128.116 179.076 + 96.668 89.871 0.000 0.000 + 130.164 -85.570 134.137 -45.349 + 120.308-109.265 117.789-121.834 + 120.037-140.575 112.637-113.017 + 93.269 67.930 99.528-104.529 + 93.325 0.000 112.335 -78.851 + # 75 total E -8.69947E+01 rmsd from N 0.000 %NC 0.00 1 + 93.986 127.304 143.097 -0.301 + 91.370 88.651 131.882 -22.971 + 90.690 46.980 123.666 106.521 + 89.915 43.821 148.684 -89.637 + 90.259 47.448 119.471-126.413 + 90.219 47.988 144.307 47.312 + 90.318 47.235 139.947-132.960 + 91.351 46.769 135.981-134.765 + 92.577 -94.683 141.658-128.511 + 123.487 -88.673 0.000 0.000 + 124.207 -41.705 0.000 0.000 + 91.235 68.879 131.533-157.839 + 91.654 58.763 111.850 -76.324 + 93.011-130.953 110.177 -78.617 + 96.364 143.049 0.000 0.000 + 119.047 -86.464 134.838 -32.910 + 101.024-173.095 102.533 -93.964 + 128.714-148.307 120.637-120.545 + 92.314 85.596 100.564 -98.373 + 93.315 0.000 107.455 -81.043 + # 76 total E -8.73136E+01 rmsd from N 0.000 %NC 0.00 1 + 94.011 126.082 141.195 -2.078 + 91.448 90.885 138.434 -12.667 + 90.124 49.939 125.724 114.160 + 89.587 41.374 151.275 -95.633 + 89.627 50.202 122.717-131.286 + 90.035 55.985 127.577 24.965 + 89.711 38.765 140.010-138.786 + 91.813 65.631 124.471-134.853 + 91.565 -65.865 135.009-123.891 + 115.062 -61.162 0.000 0.000 + 129.582 -58.196 0.000 0.000 + 103.278 -16.250 137.255-158.979 + 91.901 101.125 120.003 121.813 + 92.986 -21.615 118.367 -74.030 + 100.129 66.412 0.000 0.000 + 146.414 -81.725 144.890 49.181 + 117.368-119.596 81.783 -86.897 + 117.007-164.973 117.618-120.922 + 93.742 67.916 133.435-158.720 + 93.391 0.000 132.965-108.524 + # 77 total E -8.96682E+01 rmsd from N 0.000 %NC 0.00 1 + 93.923 124.513 145.590 -5.652 + 91.266 85.700 127.893 -18.619 + 91.386 43.725 98.965 -90.017 + 90.393 46.220 150.703 -98.341 + 90.410 42.771 120.711-124.449 + 92.123 49.673 128.839 32.104 + 91.253 36.733 131.967-144.957 + 92.830 74.447 133.442-131.454 + 93.784 -85.835 131.211-140.629 + 131.680 -64.573 0.000 0.000 + 140.909 -27.847 0.000 0.000 + 105.928 -35.502 96.299 -86.656 + 91.327 96.921 117.406 144.651 + 92.440 -5.318 106.995 -79.866 + 117.760 -13.064 0.000 0.000 + 129.907 -66.377 143.770 -53.291 + 119.364-111.257 102.754-102.209 + 117.717-139.914 121.581-127.079 + 93.677 72.966 128.689-151.643 + 93.307 0.000 112.930 -77.616 + # 78 total E -8.67435E+01 rmsd from N 0.000 %NC 0.00 1 + 93.904 117.156 144.765 -11.279 + 91.625 84.136 139.814 -18.133 + 92.027 38.849 170.503 15.706 + 91.048 48.929 141.659 -91.996 + 90.010 41.555 115.906-129.818 + 90.594 50.689 146.193 14.569 + 90.676 42.341 134.711 175.564 + 92.005 73.177 135.602-132.965 + 91.870 -98.103 136.267-120.054 + 94.670 118.318 0.000 0.000 + 132.488 -33.201 0.000 0.000 + 116.497-169.602 118.230-123.179 + 94.495 116.826 115.357 -77.581 + 123.168 -95.347 114.119 -81.404 + 95.505 82.111 0.000 0.000 + 128.948 -80.918 88.989 -64.080 + 117.105-105.956 117.204-122.622 + 118.413-129.358 118.931-120.488 + 93.787 86.078 98.795-106.910 + 93.243 0.000 110.495 -75.908 + # 79 total E -8.90304E+01 rmsd from N 0.000 %NC 0.00 1 + 93.883 132.354 150.401 -8.586 + 116.233-119.916 145.851 -26.743 + 92.320 62.135 129.996 118.093 + 90.061 47.398 145.992 -97.367 + 89.637 44.361 110.292 -81.244 + 90.651 51.247 160.225 0.638 + 90.661 42.626 135.971-164.668 + 91.689 72.114 103.259 -98.289 + 90.746 -61.922 129.822-136.063 + 108.239 -69.007 0.000 0.000 + 100.719 -27.220 0.000 0.000 + 93.009 100.122 137.789-163.808 + 93.343 106.636 115.296 -78.652 + 124.907 -89.934 129.668-154.644 + 95.314 75.201 0.000 0.000 + 125.296 -77.095 131.515 -78.928 + 119.416-112.766 111.305-116.161 + 120.067-148.612 112.238-112.999 + 93.091 84.849 101.580-105.751 + 93.428 0.000 120.185-131.891 + # 80 total E -8.64853E+01 rmsd from N 0.000 %NC 0.00 1 + 93.805 101.453 147.349 -20.725 + 93.117 127.863 141.878 -22.689 + 124.077-101.345 95.636 -98.922 + 92.434 54.140 147.433-106.890 + 90.608 40.912 109.369 -38.377 + 91.494 50.900 146.327 107.579 + 90.511 44.404 144.863 -89.781 + 91.593 51.737 137.315-142.404 + 92.480-117.762 144.239 -30.427 + 94.081 119.881 0.000 0.000 + 93.993 53.718 0.000 0.000 + 92.454 133.474 124.520-145.468 + 92.156 103.784 114.615 -77.967 + 93.993 -93.283 110.477 -78.611 + 95.108 163.283 0.000 0.000 + 127.331 -89.921 149.508-101.255 + 118.327-111.775 115.304-121.760 + 119.939-144.071 111.889-111.613 + 93.496 63.889 100.711-108.136 + 93.409 0.000 127.287-134.084 + # 81 total E -8.87361E+01 rmsd from N 0.000 %NC 0.00 1 + 93.848 100.548 147.163 -12.223 + 91.410 73.907 144.502 -36.898 + 89.882 54.101 120.330 122.737 + 88.801 42.265 149.584 -96.555 + 89.456 49.973 119.104-115.261 + 90.388 60.881 113.533 31.753 + 90.359 35.360 142.331-146.335 + 93.047 80.850 131.400-132.209 + 93.349 -54.900 141.090-149.431 + 122.172 -23.953 0.000 0.000 + 117.795 -53.359 0.000 0.000 + 97.804 -36.049 96.627 -96.033 + 91.841 109.656 136.910 -14.979 + 94.706 20.121 128.691-124.645 + 96.943 66.287 0.000 0.000 + 126.945 -80.104 150.231 -4.335 + 115.099-114.890 84.878 -85.432 + 116.373-146.404 118.821-122.941 + 93.485 72.955 136.457-163.304 + 93.307 0.000 113.537 -77.194 + # 82 total E -9.16853E+01 rmsd from N 0.000 %NC 0.00 1 + 93.864 123.430 147.254 -7.819 + 91.406 84.902 128.871 -26.913 + 91.549 43.922 95.957 -85.611 + 90.708 44.250 147.889 -93.772 + 90.398 43.119 117.957-121.720 + 91.122 47.785 155.925 39.725 + 90.836 45.854 131.512-157.276 + 92.059 72.378 138.289-133.095 + 90.704 -67.325 136.961-120.637 + 107.935 -66.058 0.000 0.000 + 110.591 -53.099 0.000 0.000 + 92.619 81.771 140.058-168.844 + 93.055 108.785 112.727 -76.453 + 123.185 -89.750 117.927 -83.949 + 94.671 74.097 0.000 0.000 + 127.438 -71.425 135.310 -66.524 + 119.419-113.014 105.311-107.089 + 119.077-163.675 114.152-116.113 + 93.460 48.064 101.816-110.237 + 93.372 0.000 112.304 -80.756 + # 83 total E -8.63547E+01 rmsd from N 0.000 %NC 0.00 1 + 117.661-172.278 145.483 -17.562 + 117.422-109.532 147.802 -37.870 + 91.424 54.835 131.251 95.326 + 90.734 41.065 146.463 -93.711 + 90.684 48.493 123.279-123.297 + 91.537 47.839 135.352 33.978 + 91.010 39.258 141.560-113.380 + 92.484 58.346 130.740-131.577 + 93.084 -75.990 133.995-137.440 + 126.675 -66.774 0.000 0.000 + 136.321 -31.923 0.000 0.000 + 107.795 -31.697 91.133 -79.313 + 91.159 95.918 114.028 -75.219 + 92.697 7.201 103.025 -80.953 + 123.425 -10.085 0.000 0.000 + 121.999 -67.943 115.472 -61.262 + 118.810-138.273 108.461-108.357 + 126.297-169.905 120.354-121.909 + 93.331 56.991 93.801 -94.606 + 93.341 0.000 112.036 -80.045 + # 84 total E -8.61905E+01 rmsd from N 0.000 %NC 0.00 1 + 93.616 101.662 156.536 -31.302 + 93.312 122.475 139.935 -45.265 + 131.000 -99.309 90.608 -99.108 + 92.515 56.832 147.644-107.620 + 91.087 37.216 108.381 -87.401 + 91.665 57.036 152.191 96.879 + 90.485 39.433 145.596-127.063 + 92.391 66.339 133.360-136.751 + 91.105 -67.920 139.108-137.737 + 109.875 -57.251 0.000 0.000 + 107.120 -76.133 0.000 0.000 + 92.323 65.995 134.230-161.612 + 94.257 136.050 113.876 -76.522 + 124.146 -96.252 118.985 -85.285 + 95.515 67.654 0.000 0.000 + 132.285 -86.762 109.894 -56.094 + 117.905-102.096 124.861-133.071 + 118.444-142.119 111.477-111.550 + 93.210 54.504 99.937-112.153 + 93.354 0.000 112.660 -80.173 + # 85 total E -8.50603E+01 rmsd from N 0.000 %NC 0.00 1 + 93.968 125.594 143.455 -3.532 + 91.492 89.323 136.101 -19.947 + 90.901 48.127 127.126 100.208 + 89.925 43.883 147.624 -91.592 + 89.801 46.994 119.975-127.025 + 90.203 57.298 117.380 25.898 + 89.748 39.488 148.859-145.027 + 91.583 66.580 125.757-135.729 + 92.052 -57.267 138.586-122.515 + 122.784 -61.256 0.000 0.000 + 115.683 -16.205 0.000 0.000 + 104.750 -39.217 92.693 -83.721 + 94.854 -22.779 109.166 -73.491 + 108.888 -60.634 115.307 -77.409 + 95.097 75.573 0.000 0.000 + 125.714 -81.720 88.940 -63.999 + 116.963-109.317 114.480-118.190 + 117.341-140.547 131.942-141.074 + 93.415 67.681 102.479-101.746 + 93.317 0.000 113.409 -77.894 + # 86 total E -8.70558E+01 rmsd from N 0.000 %NC 0.00 1 + 93.787 107.358 150.136 -17.056 + 92.796 131.512 127.596 -16.850 + 128.289-105.476 95.598 -93.176 + 91.425 70.219 143.841-116.712 + 90.182 43.074 122.593-100.440 + 90.550 57.379 114.052 27.986 + 90.570 35.281 142.792-139.294 + 92.751 73.070 127.684-138.745 + 93.547 -49.098 140.768-124.868 + 131.151-144.166 0.000 0.000 + 92.015 44.839 0.000 0.000 + 91.783 64.328 97.034 -96.330 + 92.375 -47.307 131.493-115.478 + 118.840-166.690 122.516 -77.369 + 128.494 178.343 0.000 0.000 + 128.581 -79.796 106.118-122.235 + 117.935-107.577 120.146-128.314 + 120.789-143.051 110.035-108.101 + 93.310 56.973 98.247-109.663 + 93.345 0.000 113.061 -79.505 + # 87 total E -8.52453E+01 rmsd from N 0.000 %NC 0.00 1 + 93.980 128.500 143.142 1.943 + 91.373 87.961 136.765 -26.066 + 91.366 44.846 119.851 102.325 + 90.842 43.514 149.763 -93.019 + 90.368 46.923 117.174-123.284 + 90.877 52.393 126.034 35.862 + 89.830 46.745 143.375-126.489 + 90.232 53.338 131.612-140.058 + 92.494 176.334 139.936 -33.894 + 94.510 86.664 0.000 0.000 + 120.085 -26.834 0.000 0.000 + 113.633-142.986 133.532-147.091 + 133.910-131.273 127.060 -79.453 + 123.326 -33.619 115.825 -81.236 + 95.800 80.863 0.000 0.000 + 121.625 -64.218 162.100 -8.974 + 118.457-116.512 109.963-114.999 + 125.463-171.746 112.278-109.404 + 92.847 37.906 110.733-123.790 + 93.407 0.000 111.358 -82.426 + # 88 total E -8.54087E+01 rmsd from N 0.000 %NC 0.00 1 + 93.884 122.528 147.050 -9.388 + 91.347 88.891 128.307 -17.610 + 91.145 46.862 97.496 -89.163 + 88.473 47.712 143.576 -95.925 + 88.861 50.382 122.665-133.290 + 89.545 49.175 117.047 47.079 + 90.481 42.256 145.396-157.635 + 92.528 66.282 130.385-134.875 + 92.040 -67.941 140.828-129.458 + 115.523 -53.841 0.000 0.000 + 116.709 -43.502 0.000 0.000 + 111.257 107.724 142.167-160.916 + 92.401 117.718 119.846 -74.825 + 93.294 -83.964 111.603 -83.331 + 94.245 40.895 0.000 0.000 + 128.921-104.180 97.408 -68.154 + 117.934-168.802 112.168-116.411 + 116.329-170.720 121.613-126.181 + 94.166 94.360 132.416-156.865 + 93.294 0.000 113.360 -75.264 + # 89 total E -8.74021E+01 rmsd from N 0.000 %NC 0.00 1 + 115.767 173.842 145.055 -29.501 + 114.211-176.462 141.754 -24.257 + 110.267-170.224 126.710-121.085 + 90.324 52.974 146.172-103.029 + 89.337 41.930 108.710 -91.592 + 91.029 55.996 152.415 -21.410 + 90.269 41.071 136.303-159.418 + 91.567 73.855 99.750 -98.709 + 90.728 -57.043 132.191-137.613 + 108.748 -70.688 0.000 0.000 + 101.192 -27.558 0.000 0.000 + 92.882 100.817 141.000-169.437 + 93.351 107.434 114.865 -78.551 + 121.877 -86.919 132.608-161.498 + 95.773 74.409 0.000 0.000 + 126.085 -78.832 132.096 -84.663 + 118.783-113.210 116.097-122.006 + 123.429-163.071 112.191-111.075 + 93.421 57.473 102.666 -99.899 + 93.343 0.000 112.051 -80.129 + # 90 total E -8.94220E+01 rmsd from N 0.000 %NC 0.00 1 + 93.848 100.230 146.614 -11.814 + 91.376 70.284 136.673 -43.638 + 91.467 45.454 123.944 121.595 + 90.381 46.892 143.263 -92.070 + 89.664 43.864 118.598-122.588 + 90.564 48.261 157.703 -1.705 + 90.832 43.744 136.641-171.664 + 92.051 72.620 135.915-130.269 + 90.727 -62.034 130.720-135.127 + 108.287 -68.959 0.000 0.000 + 101.245 -27.108 0.000 0.000 + 92.939 98.932 136.490-162.458 + 92.695 100.201 114.036 -78.240 + 126.034 -88.900 124.937-139.673 + 94.680 82.774 0.000 0.000 + 128.218 -74.987 133.862-130.091 + 120.680-115.209 110.245-116.013 + 119.686-135.811 110.049-109.697 + 118.029-118.975 121.679-126.275 + 121.958 0.000 121.759 -80.978 + # 91 total E -8.78143E+01 rmsd from N 0.000 %NC 0.00 1 + 94.054 128.532 139.867 2.761 + 91.228 87.440 135.093 -10.891 + 89.653 51.029 104.218 -79.110 + 90.492 40.801 168.028-126.008 + 90.220 42.860 130.379-117.433 + 90.962 49.268 132.284 93.465 + 90.620 68.966 137.159-130.020 + 89.992 92.851 130.051-117.995 + 92.198 -46.104 105.483 -86.339 + 96.966 82.992 0.000 0.000 + 132.347 -56.945 0.000 0.000 + 135.515 165.268 96.877 -81.578 + 128.174 170.155 120.406 -80.107 + 121.090 -76.604 116.354 -79.822 + 95.137 60.995 0.000 0.000 + 124.550 -90.965 79.565 -71.434 + 119.613-168.520 114.029-118.202 + 121.145-149.284 113.465-110.259 + 93.280 91.383 103.934-106.310 + 93.283 0.000 110.085 -77.327 + # 92 total E -9.07468E+01 rmsd from N 0.000 %NC 0.00 1 + 93.960 125.637 143.924 -3.456 + 91.292 86.492 128.322 -23.899 + 91.704 43.197 124.212 92.126 + 90.624 45.162 149.404 -93.260 + 90.424 45.636 116.613-126.294 + 91.711 49.411 135.087 29.299 + 91.024 38.033 142.715-104.155 + 92.638 59.476 132.154-132.878 + 93.071 -72.496 135.440-143.332 + 127.396 -67.314 0.000 0.000 + 137.021 -31.194 0.000 0.000 + 107.651 -32.655 91.040 -80.094 + 91.143 95.962 113.638 -75.329 + 92.677 7.978 103.916 -80.784 + 124.012 -10.709 0.000 0.000 + 123.543 -66.570 120.174 -61.551 + 118.810-150.111 109.829-110.767 + 129.397-167.220 117.846-116.775 + 93.362 61.846 91.506 -87.654 + 93.336 0.000 111.955 -79.818 + # 93 total E -8.55806E+01 rmsd from N 0.000 %NC 0.00 1 + 93.754 88.675 146.361 -33.056 + 121.825-107.325 141.533 -34.997 + 91.166 59.087 116.618 125.820 + 89.249 38.894 150.191 -98.540 + 89.569 61.763 112.458 -81.877 + 90.156 61.396 113.722 35.113 + 90.458 33.947 135.502-138.931 + 93.818 83.597 133.587-131.286 + 93.326 -56.095 149.159-138.273 + 119.579 -24.607 0.000 0.000 + 117.545 -49.271 0.000 0.000 + 101.676 -40.733 92.351 -92.130 + 91.820 106.675 131.517 -24.116 + 94.726 25.074 118.986 -81.754 + 97.136 63.512 0.000 0.000 + 126.181 -92.088 137.296 -27.910 + 114.648-110.541 92.718 -80.009 + 115.360-142.540 121.189-127.059 + 93.406 72.500 136.536-161.822 + 93.306 0.000 113.477 -77.228 + # 94 total E -8.57380E+01 rmsd from N 0.000 %NC 0.00 1 + 118.785-146.655 110.220 -80.669 + 116.206-178.683 143.879 -21.647 + 109.521-169.845 121.093-123.321 + 90.380 52.886 145.699-101.870 + 89.307 42.623 113.594 -94.331 + 91.071 55.759 148.415 -25.222 + 90.236 40.188 136.713-160.045 + 91.710 74.150 99.268 -97.107 + 90.883 -55.742 133.056-138.744 + 109.627 -71.636 0.000 0.000 + 101.814 -26.476 0.000 0.000 + 92.958 100.436 139.872-167.884 + 93.174 103.469 114.719 -78.521 + 123.539 -84.743 134.304-160.703 + 95.969 77.014 0.000 0.000 + 125.947 -79.937 138.965 -93.552 + 119.472-111.833 115.735-121.383 + 120.553-137.284 109.511-108.747 + 117.805-118.699 122.089-126.411 + 121.889 0.000 121.559 -81.063 + # 95 total E -8.80387E+01 rmsd from N 0.000 %NC 0.00 1 + 93.747 -3.393 99.231 -80.176 + 91.946 138.438 117.085 -58.969 + 92.667 54.176 129.857 109.999 + 90.889 40.069 141.629 -87.167 + 90.582 48.450 121.390-128.703 + 90.551 46.213 155.931 56.275 + 90.795 48.694 140.426 174.272 + 92.156 73.287 135.908-132.019 + 90.781 -69.443 136.046-126.348 + 103.167 -64.407 0.000 0.000 + 99.072 -32.193 0.000 0.000 + 92.730 102.993 134.132-159.465 + 95.727 121.378 112.898 -77.401 + 110.761 -90.377 119.323 -73.184 + 95.061 63.788 0.000 0.000 + 129.166 -85.619 102.860 -59.542 + 117.199-107.093 124.339-132.681 + 121.868-148.231 110.368-109.325 + 92.544 68.935 103.427-105.862 + 93.331 0.000 110.634 -80.326 + # 96 total E -8.53661E+01 rmsd from N 0.000 %NC 0.00 1 + 93.869 121.654 147.648 -10.276 + 91.440 87.085 129.047 -18.348 + 90.483 49.976 93.479 -85.413 + 89.582 41.751 148.654-101.245 + 89.738 47.004 122.203-123.013 + 89.720 50.262 131.544 94.542 + 89.512 59.615 144.692-117.829 + 89.494 32.917 134.578-134.553 + 91.974-123.389 142.817-121.103 + 94.899 128.503 0.000 0.000 + 95.151 38.565 0.000 0.000 + 90.601 62.591 112.896-105.527 + 90.241 132.351 128.487 170.187 + 94.044 -48.625 114.775-149.767 + 95.861 91.535 0.000 0.000 + 130.745 -79.493 94.194 -61.601 + 118.197-105.051 122.885-130.089 + 119.093-137.163 110.316-109.871 + 93.799 53.725 97.883-107.339 + 93.409 0.000 132.675-133.723 + # 97 total E -8.69387E+01 rmsd from N 0.000 %NC 0.00 1 + 119.595-113.700 106.667 -78.036 + 91.471 75.155 148.377-134.928 + 89.775 74.368 122.174 -35.979 + 89.376 54.864 133.627 -95.642 + 89.374 41.608 115.995-117.971 + 89.294 54.059 99.007-139.590 + 90.241 60.828 141.133 145.980 + 90.484 100.862 135.043-134.310 + 91.213 -14.886 143.410-128.846 + 100.137 -77.360 0.000 0.000 + 99.209 -22.862 0.000 0.000 + 93.356 105.750 140.480-167.139 + 94.629 107.601 118.657 -75.200 + 119.628 -94.674 148.516 -63.936 + 96.163 73.404 0.000 0.000 + 132.731 -70.281 146.172 -80.551 + 116.949-107.178 115.953-123.338 + 121.819-148.838 110.971-109.113 + 92.982 61.389 105.072-115.133 + 93.344 0.000 110.651 -81.087 + # 98 total E -8.82928E+01 rmsd from N 0.000 %NC 0.00 1 + 119.241-108.499 112.051 -81.267 + 119.067 176.440 151.941 -30.630 + 116.050 165.549 113.361 -66.214 + 90.203 73.206 126.311-112.338 + 89.532 50.386 104.293-106.469 + 89.828 54.685 123.791 37.657 + 90.296 38.383 144.325-178.554 + 92.187 65.214 128.505-132.715 + 92.120 -66.027 136.365-126.477 + 119.395 -55.773 0.000 0.000 + 119.320 -45.463 0.000 0.000 + 113.847 107.555 132.724-144.764 + 93.156 108.987 115.729 -76.336 + 130.726-102.498 114.367 -83.079 + 95.214 70.500 0.000 0.000 + 126.972 -84.264 113.502-106.874 + 115.890-114.742 87.956 -89.952 + 119.864-141.582 117.290-118.921 + 92.700 71.599 130.941-152.561 + 93.330 0.000 109.404 -81.067 + # 99 total E -8.65670E+01 rmsd from N 0.000 %NC 0.00 1 + 93.779 84.475 147.319 -27.088 + 92.869 118.047 147.111 -34.190 + 133.974 -95.160 86.129 -99.606 + 91.298 59.540 142.629-107.012 + 90.134 44.962 114.356 -86.883 + 90.449 51.982 152.130 32.053 + 90.817 65.444 131.817 -55.197 + 91.791 103.776 132.183-128.587 + 91.172 -25.239 146.147-133.249 + 101.037 -71.393 0.000 0.000 + 98.498 -21.635 0.000 0.000 + 93.339 103.061 133.737-156.501 + 93.559 108.546 119.947 -75.017 + 118.150 -97.515 116.360 -84.566 + 95.214 66.243 0.000 0.000 + 133.772 -86.283 104.140 -62.997 + 118.354-109.050 114.586-119.228 + 120.061-138.312 113.251-112.810 + 118.181-118.577 121.254-125.860 + 121.917 0.000 121.490 -81.157 + # 100 total E -8.69616E+01 rmsd from N 0.000 %NC 0.00 1 + 93.978 124.623 142.456 -4.757 + 91.470 90.933 135.246 -14.807 + 90.731 48.515 129.423 95.079 + 89.362 45.070 145.882 -91.126 + 89.536 48.034 121.662-133.400 + 90.020 51.617 123.907 27.010 + 89.814 42.150 146.828-145.886 + 91.613 65.158 129.886-135.845 + 91.584 -68.615 137.150-114.004 + 120.435 -94.145 0.000 0.000 + 123.514 -57.634 0.000 0.000 + 92.043 66.842 139.012-169.047 + 93.752 68.046 112.373 -76.268 + 93.937 -97.170 117.205 -75.720 + 95.195 137.968 0.000 0.000 + 129.168 -78.125 145.979 65.245 + 117.654-110.271 110.587-115.358 + 121.919-136.737 110.943-109.368 + 118.336-118.624 119.915-124.023 + 121.912 0.000 121.496 -81.142 + # 101 total E -9.01936E+01 rmsd from N 0.000 %NC 0.00 1 + 94.019 116.839 138.382 -7.312 + 91.484 79.833 147.020 -13.425 + 89.267 49.652 114.824 -64.879 + 89.567 43.139 168.586-161.641 + 89.607 46.397 134.326-109.186 + 89.710 56.905 112.099 23.715 + 90.099 37.622 143.448-129.142 + 92.026 69.584 126.839-141.083 + 93.138 -46.197 139.190-121.492 + 129.575-145.654 0.000 0.000 + 92.150 45.051 0.000 0.000 + 91.958 64.277 97.783 -96.715 + 92.620 -46.465 134.191-121.652 + 121.517-163.395 124.290 -77.671 + 128.884-177.841 0.000 0.000 + 129.265 -81.456 111.772-126.669 + 119.322-110.190 116.028-121.407 + 119.195-138.755 109.847-109.047 + 93.143 80.301 104.542-115.082 + 93.297 0.000 111.231 -77.975 + # 102 total E -8.77829E+01 rmsd from N 0.000 %NC 0.00 1 + 93.857 98.231 146.502 -12.605 + 91.398 70.284 138.021 -41.545 + 90.713 50.436 124.086 112.388 + 89.411 45.665 145.885 -91.366 + 89.785 45.573 117.962-122.157 + 90.612 49.689 151.295 30.626 + 90.438 41.501 138.187-153.272 + 92.095 67.805 132.881-134.683 + 91.292 -67.386 135.813-114.580 + 112.938 -62.507 0.000 0.000 + 119.009 -52.277 0.000 0.000 + 92.932 74.120 140.158-168.902 + 93.648 96.080 112.973 -76.243 + 115.954 -69.710 154.033 -91.798 + 97.087 80.782 0.000 0.000 + 131.264 -85.747 156.738-132.324 + 121.553-113.932 109.586-112.705 + 119.308-135.896 113.509-114.657 + 118.428-118.607 119.305-121.408 + 121.881 0.000 121.519 -81.069 + # 103 total E -8.68149E+01 rmsd from N 0.000 %NC 0.00 1 + 93.907 124.104 145.947 -6.109 + 91.331 84.793 126.996 -23.432 + 91.632 46.109 97.260 -87.381 + 90.468 41.853 152.083 -96.774 + 90.154 48.884 118.365-116.837 + 91.573 50.893 120.120 54.390 + 90.797 42.917 128.583-146.915 + 92.906 66.277 130.523-134.604 + 94.668-102.526 144.471-137.655 + 126.361 -70.624 0.000 0.000 + 107.241 -25.948 0.000 0.000 + 92.880 97.645 96.588 -84.964 + 94.378 98.878 110.379 -77.591 + 124.694-137.235 118.093 -75.964 + 94.098 65.029 0.000 0.000 + 121.092 -71.062 99.081 -71.320 + 109.438-156.895 94.778 -88.920 + 123.309-109.415 117.271-115.813 + 118.255-118.417 117.047-122.095 + 121.869 0.000 121.455 -81.081 + # 104 total E -8.93024E+01 rmsd from N 0.000 %NC 0.00 1 + 93.911 123.547 145.931 -7.268 + 91.273 86.405 128.877 -14.751 + 90.983 44.265 97.452 -89.416 + 90.270 46.919 148.934 -94.684 + 90.301 42.430 123.254-128.568 + 91.385 48.146 119.589 83.912 + 91.542 40.397 129.853-155.172 + 93.880 68.008 137.615-133.835 + 91.594 -61.266 141.275-170.428 + 109.621 -64.212 0.000 0.000 + 91.344 -45.387 0.000 0.000 + 92.910 154.225 132.196-157.982 + 93.765 95.542 119.337 -79.970 + 130.986 -98.086 117.124 -81.057 + 94.968 84.257 0.000 0.000 + 128.233 -76.768 84.703 -68.264 + 116.533-106.707 120.638-128.667 + 120.447-143.245 108.763-107.252 + 92.989 82.322 100.672-110.021 + 93.426 0.000 119.966-133.193 + # 105 total E -8.69764E+01 rmsd from N 0.000 %NC 0.00 1 + 93.988 126.056 142.485 -2.481 + 91.378 93.065 135.731 -11.848 + 89.941 51.374 105.171 -86.334 + 89.778 43.272 150.523-102.135 + 89.832 45.237 124.519-134.640 + 90.169 57.531 129.179 28.454 + 89.882 37.254 133.889-158.489 + 91.903 62.534 126.871-134.858 + 91.936 -60.573 136.515-116.815 + 118.284 -60.747 0.000 0.000 + 121.098 -58.434 0.000 0.000 + 115.497 159.471 123.298-129.605 + 94.397 74.817 112.966 -81.733 + 94.199 -83.407 112.751 -78.433 + 92.963 154.408 0.000 0.000 + 138.369 -71.788 156.811 -95.378 + 115.747-105.441 111.107-118.731 + 119.352-135.432 109.905-108.691 + 93.687 78.807 124.483-145.410 + 93.295 0.000 111.582 -77.734 + # 106 total E -9.01534E+01 rmsd from N 0.000 %NC 0.00 1 + 93.961 125.058 143.654 -4.248 + 91.439 86.099 141.398 -22.148 + 91.372 42.049 122.303 119.622 + 90.175 45.830 149.897 -92.370 + 90.795 46.169 119.317-129.596 + 90.975 47.269 141.848 90.429 + 91.017 41.671 136.343-130.852 + 93.211 70.887 136.086-138.478 + 91.983 -74.143 148.476 -26.011 + 108.734 -45.076 0.000 0.000 + 114.485 -72.666 0.000 0.000 + 93.672 64.537 130.880-156.143 + 93.410 121.686 114.956 -76.946 + 118.927 -85.033 124.804-142.306 + 95.258 70.712 0.000 0.000 + 120.451 -80.694 126.530 -50.017 + 123.527-162.985 109.149-107.062 + 119.347-144.104 119.608-122.436 + 93.664 58.068 103.313-107.622 + 93.327 0.000 115.095 -77.411 + # 107 total E -8.83232E+01 rmsd from N 0.000 %NC 0.00 1 + 93.855 97.208 146.510 -13.030 + 91.375 71.192 140.632 -41.395 + 90.273 53.572 123.612 109.932 + 88.543 44.618 146.948 -92.339 + 89.267 49.866 116.490-122.424 + 89.932 56.755 121.571 33.993 + 89.879 39.443 146.043-139.586 + 92.150 66.945 125.896-135.248 + 92.041 -64.129 138.722-126.482 + 114.997 -62.479 0.000 0.000 + 122.302 -63.840 0.000 0.000 + 95.017 95.800 143.779-172.901 + 92.877 106.251 117.942 -76.682 + 119.491 -93.402 106.811 -76.400 + 94.432 81.317 0.000 0.000 + 131.224 -67.682 122.932 -88.972 + 115.269-144.723 87.858 -91.865 + 123.874-171.217 115.994-116.563 + 94.054 33.176 92.343 -89.967 + 93.406 0.000 113.298 -81.471 + # 108 total E -8.70223E+01 rmsd from N 0.000 %NC 0.00 1 + 93.849 101.230 147.133 -12.058 + 91.408 74.398 144.913 -36.097 + 89.878 53.611 119.258 123.165 + 88.826 41.957 149.612 -96.559 + 89.486 50.465 118.900-115.878 + 90.376 61.559 112.506 32.177 + 90.435 35.743 142.700-145.939 + 93.166 82.298 131.934-131.185 + 93.472 -54.848 141.247-152.874 + 121.551 -23.838 0.000 0.000 + 117.316 -52.038 0.000 0.000 + 100.060 -39.734 94.086 -94.034 + 91.680 106.886 133.916 -11.800 + 94.470 22.672 118.737 -81.767 + 96.693 64.524 0.000 0.000 + 125.269 -80.752 149.039 -8.493 + 115.175-118.001 84.771 -85.123 + 117.248-147.608 115.349-117.881 + 115.394-117.629 138.732-154.806 + 121.568 0.000 121.517 -80.465 + # 109 total E -8.76919E+01 rmsd from N 0.000 %NC 0.00 1 + 93.877 117.766 146.417 -11.636 + 91.575 84.012 136.782 -23.788 + 91.382 42.597 126.759 116.712 + 90.546 46.005 143.374 -91.141 + 89.701 44.462 119.005-126.033 + 90.073 49.722 150.970 0.798 + 90.168 43.724 139.587-178.477 + 91.428 69.055 134.138-133.056 + 90.764 -65.267 133.310-119.888 + 114.022 -69.304 0.000 0.000 + 110.601 -31.851 0.000 0.000 + 115.189-146.286 141.887-157.429 + 119.433-129.367 120.609 -75.709 + 94.020 38.026 116.052 -75.719 + 95.619 58.892 0.000 0.000 + 110.034 -70.770 147.302 -27.705 + 117.091-155.636 105.656-106.024 + 119.936-173.521 132.878-142.602 + 93.267 45.862 97.837 -95.243 + 93.371 0.000 109.986 -82.730 + # 110 total E -8.64578E+01 rmsd from N 0.000 %NC 0.00 1 + 94.075 98.533 133.867 -8.723 + 92.324 87.079 151.602 -25.167 + 109.947 -41.935 88.505 -91.278 + 91.119 73.678 134.166 -90.729 + 89.519 41.229 134.609-145.577 + 89.053 56.281 126.323 -21.794 + 89.602 41.335 153.369-168.301 + 91.579 79.305 136.297-136.800 + 90.654 -47.196 140.806-129.014 + 110.144 -76.857 0.000 0.000 + 102.704 -27.546 0.000 0.000 + 92.719 99.771 133.565-158.580 + 93.932 110.023 112.753 -78.270 + 110.596 -93.744 132.092-161.685 + 95.584 67.572 0.000 0.000 + 131.548 -85.925 106.563-118.992 + 117.504-109.126 123.796-133.450 + 123.556-148.156 105.662-101.914 + 92.300 75.774 102.135-110.781 + 93.332 0.000 107.758 -82.160 + # 111 total E -8.64395E+01 rmsd from N 0.000 %NC 0.00 1 + 93.847 77.766 146.235 -16.718 + 93.009 170.469 138.875 -40.684 + 107.549 176.777 115.952 -70.530 + 91.064 74.497 134.225-111.153 + 90.177 43.235 112.920-107.128 + 91.702 52.351 135.460 28.766 + 90.833 33.974 132.869-148.746 + 92.906 64.869 130.367-134.821 + 92.740 -80.825 135.184-107.897 + 133.248 -72.008 0.000 0.000 + 140.350 -15.848 0.000 0.000 + 108.565 -18.145 94.271 -84.229 + 92.410 100.116 112.300 -76.250 + 91.210 -13.077 105.670 -76.531 + 115.805 -30.390 0.000 0.000 + 125.773 -76.552 121.853 -76.042 + 118.575-120.542 110.661-113.509 + 116.772-153.087 134.083-147.628 + 93.470 56.973 99.592 -84.255 + 93.342 0.000 112.558 -79.741 + # 112 total E -8.64903E+01 rmsd from N 0.000 %NC 0.00 1 + 93.732 4.568 107.463 -80.252 + 119.648 171.279 153.140 -14.378 + 93.125 78.820 132.866 107.603 + 91.161 39.974 152.575 -96.543 + 90.009 50.118 125.927 -71.826 + 90.540 55.216 123.702 38.884 + 90.119 42.149 138.865-144.874 + 91.927 62.599 127.139-135.388 + 92.052 -68.720 139.769-123.194 + 116.707 -57.169 0.000 0.000 + 116.948 -56.109 0.000 0.000 + 108.751 104.665 142.002-162.819 + 92.872 109.378 116.197 -76.372 + 132.557 -95.850 113.962 -81.557 + 94.328 77.614 0.000 0.000 + 124.605 -65.322 126.362 -60.715 + 115.562-142.154 92.514 -90.275 + 120.741-168.039 116.633-118.332 + 93.658 56.238 99.243-103.889 + 93.340 0.000 112.992 -79.293 + # 113 total E -8.65039E+01 rmsd from N 0.000 %NC 0.00 1 + 93.843 115.732 147.940 -13.613 + 91.377 84.261 126.119 -16.291 + 91.378 42.346 90.143 -89.793 + 90.124 49.460 140.667 -94.964 + 89.407 43.299 121.457-130.652 + 90.057 48.698 146.697 5.880 + 90.511 43.652 135.625 161.368 + 91.738 70.730 135.884-133.223 + 91.039 -96.785 133.872-117.766 + 94.537 138.382 0.000 0.000 + 134.827 -53.589 0.000 0.000 + 118.260-173.693 112.677-114.940 + 93.289 100.570 115.249 -77.508 + 93.535 -39.283 113.042 -77.573 + 120.829 -30.269 0.000 0.000 + 126.087 -78.319 116.442 81.293 + 122.333-158.399 118.020-120.323 + 98.960-172.295 98.088 -92.145 + 93.875 72.223 130.383-157.250 + 93.311 0.000 113.842 -77.214 + # 114 total E -8.71956E+01 rmsd from N 0.000 %NC 0.00 1 + 94.017 127.438 141.487 0.418 + 90.949 84.906 131.377 0.270 + 89.777 52.755 102.583 -86.795 + 90.148 43.281 169.154-144.393 + 89.949 44.425 133.156-125.983 + 90.051 55.833 130.545 33.914 + 90.579 45.181 136.693-139.544 + 91.337 84.419 131.115-141.442 + 92.084 -3.442 144.917-148.554 + 107.888 -80.079 0.000 0.000 + 94.717 -32.182 0.000 0.000 + 95.367 149.308 139.382-166.255 + 93.752 84.049 112.708 -77.333 + 143.019-106.205 123.619 -87.971 + 95.651 84.427 0.000 0.000 + 128.056 -69.182 123.233-113.733 + 117.655-110.040 113.047-118.948 + 121.723-143.352 110.929-109.653 + 92.999 87.006 99.446-104.356 + 93.418 0.000 119.124-127.497 + # 115 total E -8.96174E+01 rmsd from N 0.000 %NC 0.00 1 + 93.705 36.891 108.606 -81.031 + 91.733 85.446 130.728 -21.927 + 91.482 44.380 125.223 96.267 + 90.525 44.779 149.437 -93.230 + 90.431 45.459 117.666-125.448 + 91.597 49.285 134.667 30.361 + 90.987 38.576 142.959-110.742 + 92.503 58.515 132.582-132.825 + 92.942 -72.508 135.790-142.152 + 127.066 -68.324 0.000 0.000 + 136.244 -32.377 0.000 0.000 + 107.475 -31.269 90.961 -80.369 + 91.383 96.135 112.939 -74.406 + 92.312 9.827 104.398 -80.312 + 124.597 -8.750 0.000 0.000 + 127.355 -66.337 117.086 -66.170 + 109.355-164.353 96.081 -90.606 + 129.688-142.283 111.469-108.645 + 92.375 86.017 95.524 -98.647 + 93.303 0.000 106.835 -80.988 + # 116 total E -8.76787E+01 rmsd from N 0.000 %NC 0.00 1 + 93.866 120.648 147.427 -11.483 + 91.342 89.492 129.115 -12.673 + 90.594 47.958 95.257 -88.179 + 88.962 46.729 141.831 -93.337 + 89.317 48.832 122.923-136.153 + 89.388 48.012 145.680 44.977 + 90.510 49.518 137.033 -48.272 + 91.631 82.093 134.949-137.474 + 91.885 -15.813 142.819-136.338 + 114.039 -87.051 0.000 0.000 + 114.439 -44.868 0.000 0.000 + 92.524 75.681 137.632-163.334 + 93.860 122.001 112.639 -76.362 + 116.191 -92.233 119.657 -82.221 + 94.958 59.198 0.000 0.000 + 125.219 -89.520 101.138 -61.302 + 117.129-111.155 119.126-126.159 + 120.943-146.289 111.611-110.094 + 92.396 77.900 105.841-114.756 + 93.323 0.000 108.900 -80.834 + # 117 total E -8.81975E+01 rmsd from N 0.000 %NC 0.00 1 + 93.890 120.766 146.234 -10.525 + 91.287 87.135 128.321 -5.748 + 90.401 51.205 95.460 -92.167 + 89.864 45.636 150.423 -98.363 + 89.993 44.247 123.568-134.019 + 90.925 50.815 128.770 37.975 + 89.959 43.550 128.499-154.612 + 90.602 57.671 133.405-135.137 + 91.639-179.351 134.939-118.968 + 95.347 103.875 0.000 0.000 + 131.761 -56.992 0.000 0.000 + 114.300 168.256 131.067-141.968 + 116.819-179.109 115.437 -85.153 + 96.327 30.265 116.219 -76.528 + 97.179 60.481 0.000 0.000 + 123.113 -79.883 128.861 -70.499 + 108.505-154.078 97.561 -93.985 + 135.042-172.589 112.268-103.383 + 92.779 89.095 100.439-113.619 + 93.429 0.000 123.249-126.927 + # 118 total E -8.72736E+01 rmsd from N 0.000 %NC 0.00 1 + 93.908 132.280 149.109 -7.476 + 115.210-119.749 146.574 -28.104 + 92.363 63.609 134.291 115.829 + 90.121 48.034 145.131 -96.779 + 89.605 44.508 112.394 -86.468 + 90.722 51.060 158.259 -5.976 + 90.679 42.054 134.675-167.647 + 91.809 72.783 102.653 -97.307 + 90.827 -61.098 130.067-136.786 + 108.416 -69.331 0.000 0.000 + 101.164 -26.891 0.000 0.000 + 93.010 99.766 137.745-164.515 + 93.078 104.526 114.901 -78.557 + 125.849 -88.892 130.063-151.982 + 95.349 77.530 0.000 0.000 + 125.780 -77.112 136.542 -82.303 + 120.292-112.802 112.520-117.703 + 119.488-134.280 110.246-110.377 + 118.465-118.658 118.289-121.715 + 121.887 0.000 121.531 -81.075 + # 119 total E -8.60117E+01 rmsd from N 0.000 %NC 0.00 1 + 93.928 125.097 145.557 -4.639 + 91.385 84.442 129.501 -26.242 + 91.660 43.752 122.940 91.834 + 90.928 43.539 150.737 -94.340 + 90.652 45.025 117.497-119.713 + 91.954 49.851 134.297 32.664 + 90.907 37.970 140.971 -91.167 + 92.280 60.606 131.860-133.334 + 92.748 -75.604 129.778-134.016 + 126.364 -66.866 0.000 0.000 + 136.154 -31.911 0.000 0.000 + 108.946 -31.545 92.296 -83.279 + 90.719 93.747 128.128 144.822 + 91.794 3.236 104.291 -80.061 + 119.845 -10.585 0.000 0.000 + 127.113 -78.819 127.295 -56.444 + 125.794-166.918 112.582-112.009 + 93.530 121.254 100.203-106.615 + 93.796 96.510 96.207-100.016 + 93.368 0.000 113.330 -77.900 + # 120 total E -8.51525E+01 rmsd from N 0.000 %NC 0.00 1 + 93.954 122.894 143.040 -7.236 + 91.196 89.762 129.379 1.011 + 91.014 53.162 131.595 88.086 + 90.054 45.307 149.448 -94.069 + 89.922 47.803 125.599-140.952 + 90.776 52.451 131.562 25.165 + 90.166 39.618 143.793-121.965 + 91.818 63.633 128.374-134.329 + 91.832 -73.797 129.172-127.904 + 120.396 -73.470 0.000 0.000 + 135.768 -31.566 0.000 0.000 + 106.419 -22.820 91.529 -78.433 + 91.281 117.285 115.528 -75.406 + 92.921 -41.711 106.725 -76.062 + 97.819 63.186 0.000 0.000 + 137.711 -88.269 145.286 46.568 + 122.911-137.744 99.682 -93.581 + 107.802-166.832 124.610-138.481 + 116.439-118.701 129.043-135.601 + 121.794 0.000 121.598 -80.856 + # 121 total E -8.51564E+01 rmsd from N 0.000 %NC 0.00 1 + 93.981 128.274 143.825 1.417 + 91.873 90.487 140.683 -30.425 + 90.804 103.311 98.975 -69.753 + 90.727 67.601 136.259-101.881 + 90.068 36.358 98.228 -93.994 + 90.855 60.030 144.999 46.623 + 91.001 42.805 141.334 178.337 + 91.986 82.335 132.893-137.598 + 92.343 -15.821 144.420-150.609 + 116.474 -75.070 0.000 0.000 + 95.548 -28.670 0.000 0.000 + 94.956 150.187 135.594-159.426 + 94.607 83.268 112.122 -76.537 + 140.934-108.208 124.093 -82.529 + 95.313 84.335 0.000 0.000 + 127.367 -78.108 122.720 -94.838 + 118.519-111.267 115.481-122.069 + 123.093-154.083 112.339-109.573 + 92.455 72.165 105.057-114.418 + 93.336 0.000 108.719 -81.802 + # 122 total E -8.82404E+01 rmsd from N 0.000 %NC 0.00 1 + 94.005 118.272 139.397 -7.416 + 91.495 80.615 146.533 -14.100 + 89.324 50.345 115.656 -65.546 + 89.529 42.517 167.251-153.751 + 89.619 46.865 133.736-109.058 + 89.660 57.205 112.271 23.024 + 90.059 37.667 143.193-129.511 + 91.967 69.251 125.956-140.668 + 93.136 -46.070 138.969-121.265 + 129.613-145.903 0.000 0.000 + 92.164 45.156 0.000 0.000 + 91.969 64.352 97.788 -96.730 + 92.621 -46.459 134.272-121.864 + 121.619-163.454 124.108 -77.635 + 128.917-178.306 0.000 0.000 + 128.840 -80.974 110.903-126.893 + 119.095-110.954 118.312-124.605 + 120.576-135.826 109.229-107.634 + 118.232-118.743 118.612-123.086 + 121.910 0.000 121.544 -81.117 + # 123 total E -8.89700E+01 rmsd from N 0.000 %NC 0.00 1 + 93.978 126.907 143.372 -1.208 + 91.390 90.227 132.455 -18.783 + 90.883 45.270 121.156 99.763 + 89.968 48.516 145.109 -91.710 + 89.863 45.496 121.755-133.479 + 90.205 50.053 138.899 30.418 + 90.312 43.573 142.495-156.823 + 91.946 72.421 134.159-134.418 + 91.059 -61.849 135.371-130.061 + 110.855 -77.614 0.000 0.000 + 116.780 -63.634 0.000 0.000 + 92.574 70.271 138.960-168.703 + 92.598 93.411 113.244 -76.340 + 118.531 -81.695 116.730 -83.490 + 95.398 82.495 0.000 0.000 + 132.320 -59.172 160.392 -49.207 + 122.576-141.466 101.852-101.591 + 122.755-169.816 119.092-120.736 + 93.438 57.656 99.493 -96.214 + 93.338 0.000 112.549 -79.557 + # 124 total E -9.10147E+01 rmsd from N 0.000 %NC 0.00 1 + 93.852 100.759 147.030 -11.911 + 91.392 71.162 138.327 -41.824 + 91.343 45.385 122.522 121.839 + 90.311 46.453 143.211 -92.036 + 89.692 43.811 118.169-122.997 + 90.506 48.338 159.462 4.799 + 90.776 44.242 137.034-172.750 + 91.955 72.669 135.827-130.423 + 90.609 -62.983 130.872-134.495 + 107.585 -68.486 0.000 0.000 + 100.523 -27.888 0.000 0.000 + 92.952 100.028 137.387-163.507 + 92.792 100.828 114.446 -78.119 + 124.738 -90.242 123.303-138.399 + 94.573 81.915 0.000 0.000 + 128.941 -71.212 133.772-122.408 + 120.356-118.857 107.628-112.596 + 120.301-164.077 112.805-113.358 + 93.400 82.021 102.761-104.166 + 93.423 0.000 123.855-130.802 + # 125 total E -8.88437E+01 rmsd from N 0.000 %NC 0.00 1 + 93.977 127.502 143.744 -0.110 + 91.413 86.856 134.860 -26.513 + 91.467 45.667 121.295 100.662 + 90.540 43.203 151.160 -93.146 + 90.382 47.605 117.281-121.364 + 91.248 52.379 118.021 39.391 + 90.402 42.768 141.893-119.071 + 92.130 66.697 130.328-136.595 + 92.953 -74.290 141.884-122.337 + 125.098 -49.967 0.000 0.000 + 116.430 -49.542 0.000 0.000 + 93.849 58.249 92.048 -88.797 + 117.293 147.623 125.714 -79.711 + 115.478 -81.146 116.707 -81.386 + 93.716 53.949 0.000 0.000 + 121.071 -84.151 88.438 -71.300 + 118.897-161.599 113.833-117.792 + 117.553-112.587 118.734-120.259 + 93.331 75.681 101.443-105.244 + 93.272 0.000 110.790 -77.538 + # 126 total E -8.98386E+01 rmsd from N 0.000 %NC 0.00 1 + 93.707 40.874 108.908 -80.955 + 91.834 84.449 136.941 -24.634 + 91.932 43.291 121.695 105.960 + 90.456 44.945 140.481 -88.049 + 90.210 45.522 118.849-123.283 + 90.492 46.929 157.373 47.372 + 90.698 47.771 141.075 171.429 + 92.047 75.412 137.541-130.383 + 90.334 -68.666 134.953-130.426 + 102.654 -65.673 0.000 0.000 + 98.811 -33.139 0.000 0.000 + 92.695 102.730 134.714-160.792 + 94.843 115.042 112.446 -77.378 + 116.597 -89.783 121.717 -79.272 + 95.422 68.077 0.000 0.000 + 129.609 -87.019 110.016 -95.885 + 118.137-110.631 120.445-128.146 + 121.314-165.068 111.453-110.794 + 93.100 53.171 102.547-105.563 + 93.339 0.000 112.914 -79.618 + # 127 total E -8.77182E+01 rmsd from N 0.000 %NC 0.00 1 + 93.861 101.392 146.604 -11.522 + 91.413 71.993 138.712 -38.138 + 90.804 49.056 122.710 114.096 + 89.628 44.913 147.289 -91.924 + 90.039 45.799 117.821-121.760 + 90.850 48.952 152.794 33.075 + 90.537 41.773 138.343-141.977 + 92.139 68.055 133.503-134.835 + 91.473 -73.048 135.784-115.006 + 113.652 -48.414 0.000 0.000 + 125.380 -63.860 0.000 0.000 + 93.626 62.957 139.180-166.484 + 92.901 108.813 115.111 -76.559 + 94.699 -72.865 125.310-158.395 + 97.244 87.461 0.000 0.000 + 131.468 -82.376 158.167-128.390 + 121.691-117.295 108.482-111.226 + 118.922-117.154 113.820-115.316 + 117.481-118.691 124.697-130.002 + 121.867 0.000 121.573 -81.013 + # 128 total E -8.98817E+01 rmsd from N 0.000 %NC 0.00 1 + 93.913 121.812 145.255 -8.781 + 91.466 87.018 135.321 -25.623 + 89.855 50.757 93.910 -87.005 + 89.788 40.540 153.155 -96.990 + 89.937 46.894 123.580-117.302 + 90.279 55.345 159.379 90.380 + 90.095 40.330 141.844-132.356 + 92.140 62.060 126.574-136.294 + 92.020 -70.893 139.398-122.254 + 112.710 -47.630 0.000 0.000 + 115.555 -73.122 0.000 0.000 + 92.918 68.449 144.717-175.833 + 93.278 121.300 115.034 -76.826 + 118.439 -84.065 129.336-149.594 + 95.669 69.321 0.000 0.000 + 122.627 -77.903 128.356 -56.510 + 121.423-159.322 110.078-110.673 + 126.379-170.277 123.724-125.099 + 93.787 38.676 89.197 -77.817 + 93.380 0.000 113.872 -80.215 + # 129 total E -8.50631E+01 rmsd from N 0.000 %NC 0.00 1 + 93.903 121.526 145.624 -9.763 + 91.533 88.504 133.699 -18.693 + 90.268 48.695 93.688 -85.209 + 89.783 42.986 148.306 -97.010 + 90.199 45.645 121.207-127.339 + 90.727 47.690 149.017 38.022 + 90.557 44.248 132.739-145.410 + 92.012 70.291 135.169-135.089 + 90.819 -66.546 137.523-115.560 + 111.144 -64.618 0.000 0.000 + 116.596 -61.449 0.000 0.000 + 92.621 65.868 135.058-161.983 + 92.932 95.597 113.382 -76.383 + 93.416 -39.324 110.429 -80.837 + 114.611 -22.960 0.000 0.000 + 127.601 -82.919 81.262 -66.376 + 116.279-109.045 118.559-125.288 + 121.102-112.259 113.622-110.577 + 118.340-118.529 114.648-119.975 + 121.868 0.000 121.494 -81.058 + # 130 total E -8.72079E+01 rmsd from N 0.000 %NC 0.00 1 + 93.743 60.992 149.239 -28.790 + 92.687 114.713 141.554 -36.758 + 129.200 -95.747 87.014-102.293 + 91.225 58.783 139.819-101.609 + 90.075 40.121 113.864 -72.937 + 91.109 48.187 154.312 18.686 + 90.924 46.284 133.574 176.512 + 92.153 79.298 140.361-127.343 + 89.621 -64.993 132.958-136.609 + 102.549 -68.795 0.000 0.000 + 97.563 -28.056 0.000 0.000 + 93.486 104.903 134.178-158.186 + 94.005 104.854 116.436 -76.245 + 121.385 -85.588 122.106 -80.526 + 95.488 77.352 0.000 0.000 + 128.945 -77.694 121.639-114.863 + 118.461-109.807 117.225-124.112 + 121.415-148.276 109.500-108.045 + 93.144 82.457 102.257-113.406 + 93.429 0.000 120.315-134.174 + # 131 total E -8.76111E+01 rmsd from N 0.000 %NC 0.00 1 + 93.710 19.314 104.551 -80.765 + 92.514 169.109 145.298-136.682 + 91.330 80.097 128.308 -37.283 + 91.034 46.416 140.356 -95.305 + 89.988 43.534 116.352 -98.954 + 90.089 59.163 103.904-131.592 + 89.788 61.558 149.664 -33.826 + 89.769 74.603 130.802-141.224 + 91.230-151.953 135.564-114.689 + 95.514 67.574 0.000 0.000 + 92.926 43.437 0.000 0.000 + 89.657 52.751 88.571 -69.793 + 89.145 69.199 114.754 -73.953 + 92.305 25.152 112.404 -78.916 + 97.065 69.313 0.000 0.000 + 130.031 -99.218 129.399 -74.167 + 119.336-112.414 112.982-117.603 + 118.836-144.171 114.587-116.243 + 93.268 67.049 105.348-102.268 + 93.323 0.000 112.525 -78.772 + # 132 total E -8.73188E+01 rmsd from N 0.000 %NC 0.00 1 + 118.661 -88.819 110.240 -80.257 + 113.022-164.386 153.764 -14.833 + 93.414 68.026 135.577 116.835 + 90.094 45.184 147.251 -93.809 + 89.585 47.623 114.417 -73.982 + 90.273 47.876 158.519 8.169 + 90.724 42.527 133.256-163.122 + 92.282 72.995 132.991-131.791 + 90.945 -60.610 131.819-132.999 + 107.943 -68.874 0.000 0.000 + 101.021 -27.387 0.000 0.000 + 93.085 100.100 137.500-164.384 + 93.153 105.793 115.133 -78.863 + 126.547 -89.463 129.122-153.512 + 95.417 76.006 0.000 0.000 + 124.860 -76.566 133.926 -84.091 + 120.277-112.754 111.541-116.122 + 119.397-134.085 110.786-111.237 + 118.524-118.824 117.843-120.996 + 121.885 0.000 121.517 -81.070 + # 133 total E -8.71008E+01 rmsd from N 0.000 %NC 0.00 1 + 93.836 95.964 147.476 -14.157 + 91.379 71.226 142.718 -46.284 + 89.880 58.494 120.776 111.271 + 88.774 45.482 149.206 -94.760 + 89.454 49.050 117.905 -60.225 + 90.241 54.183 132.600 39.322 + 89.841 39.142 133.956-153.265 + 92.243 60.951 127.141-135.075 + 91.792 -72.483 140.454-106.933 + 114.975 -63.777 0.000 0.000 + 125.681 -64.106 0.000 0.000 + 101.725 -19.240 136.674-160.868 + 92.056 95.836 117.779 52.631 + 91.214 -3.159 116.187 -75.092 + 106.290 -53.735 0.000 0.000 + 134.011-114.666 92.957 -60.954 + 117.278-108.613 122.665-132.607 + 118.325-139.254 116.671-117.271 + 93.809 79.186 131.669-155.016 + 93.289 0.000 112.953 -76.566 + # 134 total E -8.69597E+01 rmsd from N 0.000 %NC 0.00 1 + 93.791 98.560 147.372 -24.700 + 93.143 118.220 146.859 -28.088 + 129.020-103.243 89.486 -97.037 + 91.775 62.431 144.945-111.343 + 90.700 42.246 113.291 -85.395 + 90.786 55.317 141.742 42.112 + 90.157 40.467 136.931-142.667 + 91.657 69.910 131.120-137.866 + 91.789 -40.737 141.213-128.674 + 116.096-155.327 0.000 0.000 + 92.537 47.630 0.000 0.000 + 89.557 49.344 97.806 -97.821 + 89.342 47.003 110.314 -74.793 + 93.820 179.972 114.102 -77.973 + 94.421 113.205 0.000 0.000 + 128.894 -78.812 106.056 -99.001 + 118.016-108.698 114.613-120.826 + 120.715-146.458 113.170-112.704 + 93.648 57.527 98.087-108.198 + 93.411 0.000 128.655-137.416 + # 135 total E -8.86802E+01 rmsd from N 0.000 %NC 0.00 1 + 115.868 -51.095 110.223 -81.842 + 91.768 79.714 130.702 -30.107 + 91.991 43.066 97.604 -80.861 + 91.228 43.844 148.034-100.369 + 90.053 42.793 119.834-112.085 + 90.969 52.759 164.667 10.694 + 90.450 45.859 131.815-165.466 + 91.623 74.481 107.655-102.890 + 90.421 -65.084 129.902-137.921 + 103.263 -66.204 0.000 0.000 + 98.725 -31.980 0.000 0.000 + 92.858 104.281 139.900-168.578 + 94.442 102.898 113.462 -77.150 + 122.544 -95.067 120.181 -77.440 + 94.782 80.737 0.000 0.000 + 130.771 -69.524 128.783 -95.106 + 118.869-107.655 110.562-115.137 + 118.618-138.908 110.384-111.240 + 117.307-118.159 126.508-135.418 + 121.779 0.000 121.472 -80.898 + # 136 total E -8.87405E+01 rmsd from N 0.000 %NC 0.00 1 + 93.915 122.438 145.257 -8.530 + 91.467 88.585 131.472 -23.059 + 90.424 50.370 96.974 -91.326 + 89.904 42.446 150.166 -99.725 + 90.037 45.444 119.532-122.941 + 90.965 53.749 117.568 40.316 + 90.235 43.780 135.801-147.586 + 92.153 66.656 130.309-135.651 + 91.858 -69.321 141.076-129.233 + 112.827 -60.492 0.000 0.000 + 117.293 -62.957 0.000 0.000 + 93.717 88.754 136.893-164.127 + 95.303 122.887 113.079 -76.253 + 121.907-102.107 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91.477 90.901 135.112 -18.415 + 91.070 45.660 124.814 97.676 + 89.577 47.356 142.327 -89.648 + 89.576 44.762 121.487-133.152 + 89.888 54.156 122.924 26.296 + 89.997 36.897 146.618 170.973 + 92.027 63.532 128.598-132.945 + 92.154 -55.645 135.702-115.341 + 122.379 -64.321 0.000 0.000 + 120.842 -29.747 0.000 0.000 + 114.293 163.187 86.525 -74.209 + 93.064 80.582 113.802 -71.690 + 120.586 -42.868 117.868 -79.828 + 94.620 88.626 0.000 0.000 + 117.540 -66.166 120.915-113.979 + 119.338-109.783 115.704-121.754 + 119.593-136.157 108.855-107.958 + 118.373-118.639 119.510-124.942 + 121.905 0.000 121.570 -81.093 + # 139 total E -8.79005E+01 rmsd from N 0.000 %NC 0.00 1 + 93.965 125.565 143.600 -3.636 + 91.479 90.885 135.135 -18.431 + 91.064 45.703 124.929 97.781 + 89.582 47.285 142.367 -89.625 + 89.568 44.792 121.458-133.082 + 89.875 54.340 122.855 26.235 + 89.979 36.885 146.583 170.980 + 92.022 63.618 128.458-132.958 + 92.161 -55.420 135.794-115.559 + 122.206 -64.770 0.000 0.000 + 120.603 -29.610 0.000 0.000 + 114.106 163.395 87.621 -75.156 + 93.163 82.529 113.668 -71.414 + 122.121 -44.014 118.506 -80.170 + 94.656 87.420 0.000 0.000 + 117.477 -66.682 118.498-111.578 + 119.109-109.373 115.101-121.042 + 119.244-142.670 109.377-108.692 + 93.128 74.810 104.181-115.972 + 93.311 0.000 112.225 -78.154 + # 140 total E -8.77696E+01 rmsd from N 0.000 %NC 0.00 1 + 93.857 106.808 146.708 -12.338 + 91.542 80.488 138.519 -26.894 + 90.904 43.942 134.207 116.207 + 90.001 50.020 139.768 -87.706 + 89.588 42.775 121.169-130.437 + 90.004 49.031 138.427 -17.090 + 90.379 43.459 142.603 176.857 + 91.540 72.627 137.082-132.094 + 90.622 -56.383 134.623-129.746 + 115.462 -68.994 0.000 0.000 + 109.223 -22.025 0.000 0.000 + 112.660-144.832 126.292-136.514 + 128.124-142.217 122.201 -81.203 + 93.693 35.991 115.635 -76.131 + 95.257 64.207 0.000 0.000 + 110.807 -63.053 154.123 -11.782 + 118.395-113.460 109.538-114.125 + 122.445-142.986 114.128-112.892 + 116.076-118.182 133.985-146.313 + 121.682 0.000 121.553 -80.663 + # 141 total E -8.54447E+01 rmsd from N 0.000 %NC 0.00 1 + 93.781 103.432 150.379 -17.001 + 92.947 137.868 144.250 -29.345 + 126.238 -89.643 94.508 -97.241 + 92.678 51.322 160.731-147.439 + 90.784 38.526 120.729 -65.316 + 91.155 56.456 131.229 -31.804 + 90.263 46.543 138.560 -47.915 + 91.227 89.886 134.507-138.209 + 91.505 -8.708 143.005-129.337 + 107.340 -80.815 0.000 0.000 + 94.048 -23.533 0.000 0.000 + 95.500 164.576 133.035-154.401 + 93.552 85.987 113.512 -78.835 + 124.087-111.089 117.738 -81.119 + 95.337 78.642 0.000 0.000 + 134.891 -80.349 122.184-124.581 + 118.408-106.329 116.493-122.991 + 118.218-144.684 113.503-114.637 + 93.606 46.329 100.670-107.607 + 93.377 0.000 113.767 -80.330 + # 142 total E -8.82246E+01 rmsd from N 0.000 %NC 0.00 1 + 93.721 17.500 102.778 -79.644 + 92.579 172.228 147.246-138.310 + 90.892 77.084 124.587 -36.457 + 90.338 51.868 133.711 -94.940 + 89.716 43.541 126.793-107.869 + 89.142 51.980 99.197-138.192 + 90.276 60.758 140.208 143.565 + 90.547 101.503 135.785-133.920 + 91.239 -14.959 143.918-130.166 + 99.891 -77.044 0.000 0.000 + 99.006 -22.941 0.000 0.000 + 93.368 105.685 140.196-166.834 + 94.667 107.718 118.835 -75.168 + 119.383 -94.824 148.183 -63.537 + 96.125 73.187 0.000 0.000 + 132.617 -70.229 145.422 -79.684 + 117.013-106.977 116.212-123.679 + 121.779-148.495 111.224-109.466 + 92.997 61.927 105.584-114.862 + 93.343 0.000 110.777 -80.927 + # 143 total E -8.51155E+01 rmsd from N 0.000 %NC 0.00 1 + 93.708 21.360 105.313 -80.947 + 92.446 167.504 145.816-140.174 + 91.179 68.559 122.582 -40.087 + 89.915 51.019 142.652-100.339 + 89.523 48.905 129.401 -83.519 + 88.822 51.168 108.868-144.135 + 90.091 50.162 160.957-136.166 + 91.203 79.833 132.506-135.483 + 92.563-106.061 135.507-112.628 + 136.291 -75.917 0.000 0.000 + 94.899 34.021 0.000 0.000 + 92.704 53.771 131.818-155.534 + 92.899 -46.989 115.151 -74.844 + 129.054-171.137 117.639 -78.481 + 118.003 166.535 0.000 0.000 + 128.758 -75.400 138.324-106.139 + 116.496-105.537 118.944-127.603 + 119.650-141.446 108.666-107.090 + 93.111 76.526 105.561-116.400 + 93.307 0.000 111.972 -78.109 + # 144 total E -8.58595E+01 rmsd from N 0.000 %NC 0.00 1 + 93.791 100.906 149.233 -19.121 + 92.071 135.467 120.528 -45.209 + 90.798 57.059 85.543 -95.541 + 90.144 42.967 145.162 -95.693 + 89.303 48.205 126.965-150.084 + 89.376 53.049 127.858 1.451 + 90.102 47.070 153.787-129.401 + 91.567 75.180 129.463-137.893 + 91.072 -80.503 134.641-123.368 + 94.302 160.016 0.000 0.000 + 154.736 -39.603 0.000 0.000 + 118.723-141.607 108.524-109.670 + 92.858 97.080 114.988 -76.978 + 115.004-111.065 114.767 -80.313 + 125.530 179.264 0.000 0.000 + 128.261 -88.463 130.332-107.246 + 117.989-108.807 122.922-132.449 + 121.123-144.419 108.458-106.238 + 93.072 72.989 107.147-111.696 + 93.317 0.000 111.845 -78.743 + # 145 total E -8.99949E+01 rmsd from N 0.000 %NC 0.00 1 + 93.705 44.192 109.213 -81.160 + 92.957 172.482 143.155 -20.335 + 91.920 77.114 143.849 110.895 + 89.830 48.525 145.784 -97.748 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111.532 -80.867 + 115.542 -24.350 0.000 0.000 + 125.300 -84.699 79.112 -67.654 + 117.334-112.658 117.883-123.979 + 120.918-105.796 114.496-111.327 + 92.902 79.907 90.167 -96.682 + 93.230 0.000 106.951 -78.357 + # 147 total E -8.54148E+01 rmsd from N 0.000 %NC 0.00 1 + 93.889 122.789 145.106 -17.013 + 122.350 177.777 159.804 -10.202 + 93.022 77.812 150.617 104.410 + 90.954 41.884 149.287 -93.757 + 89.811 49.593 126.777 -88.626 + 90.903 52.927 127.352 34.016 + 90.350 37.781 139.615-150.051 + 92.151 60.732 127.008-133.053 + 92.463 -64.149 135.642-113.266 + 125.575 -56.370 0.000 0.000 + 118.071 -13.986 0.000 0.000 + 117.999-143.378 111.577-112.696 + 127.255-146.332 119.277 -81.292 + 94.269 37.494 115.801 -76.301 + 95.914 61.834 0.000 0.000 + 115.491 -76.432 144.737 -17.589 + 117.922-108.838 111.321-112.285 + 119.164-142.672 114.226-115.285 + 93.169 71.745 107.606-113.930 + 93.313 0.000 112.781 -77.990 + # 148 total E -8.88880E+01 rmsd from N 0.000 %NC 0.00 1 + 93.958 125.752 144.067 -3.461 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-58.270 0.000 0.000 + 95.198 95.283 142.918-171.133 + 93.437 108.475 119.349 -76.707 + 124.661 -95.663 105.680 -73.617 + 93.936 79.737 0.000 0.000 + 127.206 -64.773 126.077 -61.621 + 115.760-141.994 92.731 -88.953 + 121.305-167.473 117.680-119.498 + 93.686 56.420 97.337-100.064 + 93.339 0.000 112.910 -79.371 + # 150 total E -8.82155E+01 rmsd from N 0.000 %NC 0.00 1 + 93.893 121.672 146.289 -9.596 + 91.311 86.596 128.213 -13.787 + 90.560 49.257 95.643 -90.392 + 89.743 44.139 150.275 -96.921 + 89.909 46.464 121.451-127.616 + 90.813 50.172 124.490 48.569 + 90.034 46.031 127.716-154.434 + 90.872 57.156 133.314-135.698 + 92.002 170.622 140.878-122.211 + 95.417 103.435 0.000 0.000 + 125.928 -51.248 0.000 0.000 + 110.440 173.440 132.093-145.772 + 121.560 177.422 119.050 -80.681 + 94.646 30.664 115.909 -76.364 + 96.371 70.308 0.000 0.000 + 123.083 -79.012 146.908 -94.685 + 118.528-111.532 108.930-111.223 + 118.354-143.349 115.939-118.132 + 93.531 74.284 133.450-158.995 + 93.306 0.000 113.157 -77.302 + # 151 total E -8.61186E+01 rmsd from N 0.000 %NC 0.00 1 + 93.869 120.261 147.135 -11.114 + 91.361 85.718 128.632 -15.344 + 90.818 45.690 92.722 -87.736 + 90.287 45.612 146.931 -97.125 + 90.078 42.767 120.939-127.898 + 90.984 48.501 144.806 23.258 + 90.346 44.073 131.659-159.705 + 91.875 75.025 136.856-133.668 + 90.583 -95.743 137.598-122.501 + 95.630 53.595 0.000 0.000 + 151.576 -71.405 0.000 0.000 + 129.263 161.819 104.755 -96.362 + 93.913 78.865 111.357 -79.095 + 120.323 -47.049 123.862 -79.636 + 95.746 93.862 0.000 0.000 + 125.027 -80.223 117.931-114.905 + 120.876-111.142 115.775-120.956 + 118.395-138.511 106.161-105.833 + 117.540-118.919 125.476-134.806 + 121.862 0.000 121.669 -80.951 + # 152 total E -8.56691E+01 rmsd from N 0.000 %NC 0.00 1 + 93.806 106.053 148.216 -18.700 + 93.083 127.329 141.775 -27.451 + 124.374 -95.896 93.038 -93.993 + 91.402 56.176 144.548-107.480 + 89.755 40.540 125.317 -73.884 + 89.917 58.998 115.316 -27.318 + 90.285 36.537 162.613-119.956 + 92.361 63.175 127.411-139.316 + 92.709 -60.143 137.650-118.674 + 112.981-161.386 0.000 0.000 + 149.009 -47.172 0.000 0.000 + 120.955 167.855 120.616-125.738 + 93.455 90.762 114.284 -77.070 + 93.744 -92.235 112.024 -77.323 + 94.569 158.197 0.000 0.000 + 127.617 -83.058 143.870 -54.644 + 117.518-143.078 113.176-118.717 + 124.072-172.280 112.065-109.589 + 93.680 34.104 88.817 -90.376 + 93.407 0.000 111.635 -82.701 + # 153 total E -8.55417E+01 rmsd from N 0.000 %NC 0.00 1 + 116.041-177.573 149.511 -24.496 + 119.995-109.020 143.492 -34.483 + 92.212 55.241 126.877 113.242 + 90.813 41.076 144.229 -92.203 + 90.514 47.360 122.853-111.126 + 90.755 48.448 154.870 39.086 + 90.700 43.455 141.985-151.881 + 92.016 67.164 132.213-132.650 + 91.649 -68.397 132.921-127.970 + 113.187 -61.337 0.000 0.000 + 116.242 -60.907 0.000 0.000 + 93.041 67.508 131.395-155.734 + 94.261 121.832 113.479 -76.613 + 128.297 -88.300 126.772 -83.856 + 95.661 70.620 0.000 0.000 + 128.388 -78.387 121.919 -59.560 + 119.264-135.657 109.806-111.251 + 124.929-172.557 115.011-114.358 + 93.198 60.718 104.648 -99.526 + 93.327 0.000 113.354 -78.546 + # 154 total E -8.74790E+01 rmsd from N 0.000 %NC 0.00 1 + 93.913 123.228 145.680 -7.458 + 91.277 86.395 128.419 -16.113 + 90.946 46.168 97.802 -91.372 + 89.940 44.390 150.315 -96.552 + 90.018 47.093 120.068-126.393 + 91.060 49.548 129.763 43.350 + 90.308 41.308 128.666-148.969 + 91.368 57.692 131.739-134.906 + 92.537 179.245 136.750-112.979 + 94.725 96.356 0.000 0.000 + 129.348 -48.719 0.000 0.000 + 113.671 174.660 131.909-143.815 + 125.183-159.262 123.467 -79.843 + 119.467 12.433 120.352 -79.079 + 95.603 67.061 0.000 0.000 + 122.662 -69.156 123.387 45.731 + 113.470-156.276 91.011 -88.131 + 127.535-169.643 112.172-108.442 + 93.280 48.078 104.290-112.503 + 93.362 0.000 111.130 -81.563 + # 155 total E -8.78128E+01 rmsd from N 0.000 %NC 0.00 1 + 93.707 40.653 108.670 -80.853 + 91.836 85.280 136.864 -24.889 + 91.514 45.327 120.525 102.754 + 90.661 42.799 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171 total E -8.63546E+01 rmsd from N 0.000 %NC 0.00 1 + 93.861 91.569 145.664 -15.248 + 91.322 68.149 139.322 -51.905 + 90.342 55.787 128.918 101.106 + 88.428 47.298 143.691 -89.850 + 89.185 45.604 116.826-123.974 + 90.098 53.987 127.653 34.229 + 90.098 37.414 141.287-173.368 + 92.115 61.807 128.497-132.919 + 92.055 -60.870 135.931-116.378 + 119.614 -66.585 0.000 0.000 + 118.573 -28.604 0.000 0.000 + 113.288-144.580 133.976-148.399 + 128.436-130.883 121.269 -79.883 + 92.940 37.342 115.444 -76.157 + 95.043 69.152 0.000 0.000 + 114.958 -69.415 150.060 -14.653 + 119.164-111.415 107.367-108.049 + 118.759-141.182 116.161-118.465 + 93.518 74.643 132.879-157.315 + 93.304 0.000 113.016 -77.337 + # 172 total E -8.70078E+01 rmsd from N 0.000 %NC 0.00 1 + 93.884 121.307 146.732 -10.043 + 91.356 85.978 128.608 -17.072 + 91.028 45.502 93.870 -87.729 + 90.391 44.771 147.544 -96.764 + 90.150 43.263 119.927-126.032 + 91.179 48.620 141.449 27.518 + 90.317 44.398 130.679-159.182 + 91.849 75.510 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120.105-145.852 107.094-104.754 + 92.751 70.674 106.769-121.452 + 93.339 0.000 110.619 -80.158 + # 174 total E -8.93193E+01 rmsd from N 0.000 %NC 0.00 1 + 93.930 124.971 145.361 -4.979 + 91.285 86.066 128.767 -19.365 + 91.547 42.698 99.965 -90.028 + 90.470 46.663 149.837 -97.688 + 90.431 42.036 120.459-124.829 + 92.096 49.732 128.604 32.476 + 91.225 36.578 132.614-148.551 + 92.852 74.475 133.940-131.269 + 93.623 -84.592 131.404-140.589 + 130.983 -65.471 0.000 0.000 + 140.627 -28.576 0.000 0.000 + 105.807 -35.179 96.460 -86.643 + 91.276 97.228 117.789 146.663 + 92.462 -4.752 106.946 -79.880 + 117.564 -14.121 0.000 0.000 + 129.522 -67.130 140.192 -55.064 + 119.094-115.568 101.436-100.454 + 117.018-168.369 118.280-123.254 + 93.372 66.341 105.129-115.650 + 93.418 0.000 124.416-139.576 + # 175 total E -8.56906E+01 rmsd from N 0.000 %NC 0.00 1 + 93.788 98.314 145.903 -29.167 + 117.151 174.346 150.277 -29.840 + 114.461 167.532 113.448 -68.040 + 90.286 72.456 127.680-109.934 + 89.515 48.086 103.988-106.691 + 90.073 54.266 123.723 38.590 + 90.336 38.418 145.565-175.446 + 92.212 65.190 127.697-133.362 + 92.114 -66.328 136.376-126.694 + 119.121 -55.126 0.000 0.000 + 119.221 -45.435 0.000 0.000 + 113.973 108.109 133.665-146.165 + 92.971 107.214 115.650 -76.353 + 131.319-100.938 113.627 -82.249 + 95.278 71.476 0.000 0.000 + 127.824 -88.676 115.159-108.533 + 116.673-116.211 86.547 -91.820 + 119.284-138.038 113.900-114.724 + 116.453-118.367 129.734-137.048 + 121.778 0.000 121.530 -80.863 + # 176 total E -8.78907E+01 rmsd from N 0.000 %NC 0.00 1 + 93.851 101.600 147.020 -12.159 + 91.478 75.127 138.103 -33.007 + 90.793 47.944 127.754 114.694 + 89.905 44.907 143.306 -91.233 + 89.557 45.275 117.897-122.770 + 90.104 49.554 157.328 18.062 + 90.507 47.374 139.893-171.072 + 91.755 74.171 134.208-130.709 + 90.551 -64.057 130.044-137.969 + 104.717 -68.427 0.000 0.000 + 99.918 -32.225 0.000 0.000 + 92.761 102.950 141.711-171.251 + 94.332 93.495 112.235 -77.372 + 129.237 -88.000 120.066 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116.282 148.390 -23.059 + 123.018 -98.587 93.349 -99.643 + 92.184 55.700 146.789-110.236 + 90.432 36.952 111.108 -37.771 + 91.111 56.888 149.506 120.985 + 90.186 62.430 143.748 -49.106 + 90.539 72.311 136.100-135.887 + 91.505-149.828 145.448-121.401 + 95.185 68.326 0.000 0.000 + 92.922 43.935 0.000 0.000 + 89.752 49.573 89.255 -78.365 + 90.019 72.943 115.447 -76.492 + 93.135 24.999 113.430 -78.117 + 97.330 67.988 0.000 0.000 + 133.834-101.794 123.963 -80.200 + 118.403-112.871 118.173-125.567 + 125.242-164.148 113.079-110.209 + 93.635 64.007 96.958 -95.862 + 93.406 0.000 128.663-131.438 + # 179 total E -8.50725E+01 rmsd from N 0.000 %NC 0.00 1 + 118.121-167.907 145.507 -14.839 + 114.814-109.158 142.596 -36.586 + 91.325 53.468 125.635 102.968 + 89.859 44.006 142.168 -91.345 + 89.759 47.013 120.348 -79.412 + 90.076 51.961 123.592 35.369 + 90.216 37.846 140.770 174.050 + 92.350 63.341 129.129-131.812 + 92.264 -60.471 137.168-115.428 + 119.782 -61.279 0.000 0.000 + 119.800 -29.118 0.000 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115.670 -75.228 + 106.404 -54.477 0.000 0.000 + 134.762-114.661 93.253 -60.834 + 117.493-108.793 120.043-127.810 + 118.010-138.687 117.936-119.579 + 93.764 80.793 132.243-155.750 + 93.285 0.000 112.604 -76.505 + # 197 total E -8.91875E+01 rmsd from N 0.000 %NC 0.00 1 + 93.860 107.879 146.603 -12.306 + 91.546 80.784 138.365 -26.611 + 90.949 43.611 134.750 116.473 + 90.091 50.279 140.112 -87.524 + 89.575 42.824 121.255-130.544 + 89.952 49.389 137.171 -18.882 + 90.369 43.247 143.997-178.768 + 91.552 72.234 136.798-132.419 + 90.701 -56.124 134.726-130.655 + 115.794 -68.924 0.000 0.000 + 110.201 -22.819 0.000 0.000 + 112.714-145.210 127.362-138.160 + 128.565-143.650 122.073 -81.496 + 93.818 35.674 115.661 -76.141 + 95.262 63.257 0.000 0.000 + 109.443 -60.553 152.996 -13.257 + 118.210-111.672 109.796-114.339 + 121.961-142.564 116.589-116.090 + 93.466 76.435 132.697-157.210 + 93.303 0.000 112.631 -77.488 + # 198 total E -9.05816E+01 rmsd from N 0.000 %NC 0.00 1 + 93.967 125.890 143.650 -2.985 + 91.290 86.921 128.056 -24.772 + 91.702 44.321 123.719 90.917 + 90.892 43.680 150.127 -94.104 + 90.617 45.547 117.635-120.784 + 91.924 50.387 135.334 32.956 + 90.893 37.559 141.834 -95.470 + 92.403 60.345 130.784-132.814 + 92.992 -76.119 130.384-136.498 + 126.531 -67.310 0.000 0.000 + 135.952 -32.503 0.000 0.000 + 109.152 -30.748 91.680 -80.735 + 90.677 93.957 130.615 138.898 + 91.636 2.440 103.682 -80.131 + 119.311 -12.496 0.000 0.000 + 128.973 -71.258 126.154 -59.775 + 120.142-148.902 111.575-112.802 + 131.513-167.986 113.070-107.938 + 93.294 60.410 90.214 -86.403 + 93.340 0.000 111.575 -80.283 + # 199 total E -8.79212E+01 rmsd from N 0.000 %NC 0.00 1 + 93.932 130.147 146.922 -5.059 + 107.493-174.559 138.017 -26.849 + 111.488-167.929 118.732-124.164 + 90.035 53.839 145.400-104.023 + 89.226 42.901 109.140 -92.566 + 90.746 56.781 148.265 -25.877 + 90.110 40.878 137.063-159.979 + 91.519 73.991 99.467 -98.798 + 90.775 -55.778 133.207-137.679 + 109.344 -71.780 0.000 0.000 + 101.512 -26.911 0.000 0.000 + 92.917 101.088 140.684-168.812 + 93.276 106.116 114.841 -78.445 + 121.044 -86.333 133.316-162.168 + 95.894 75.725 0.000 0.000 + 127.149 -78.120 134.489 -88.469 + 118.797-113.321 114.681-120.006 + 123.661-164.966 112.099-110.810 + 93.381 57.203 103.960-104.141 + 93.342 0.000 111.955 -80.154 + # 200 total E -9.14048E+01 rmsd from N 0.000 %NC 0.00 1 + 93.863 103.462 146.536 -10.841 + 91.404 72.094 139.109 -38.457 + 91.176 46.221 122.955 120.906 + 90.142 45.173 146.895 -94.499 + 89.922 46.678 117.428-122.508 + 91.017 45.681 156.368 14.846 + 90.954 46.047 135.280-139.529 + 92.208 74.462 136.986-129.711 + 90.320 -68.678 129.326-137.086 + 106.194 -70.512 0.000 0.000 + 99.209 -24.376 0.000 0.000 + 93.644 104.010 133.630-156.029 + 93.828 90.408 116.706 -75.963 + 125.121 -93.781 119.425 -77.685 + 94.952 86.638 0.000 0.000 + 132.832 -70.045 138.056-112.448 + 119.474-111.938 107.691-112.998 + 121.009-149.255 112.933-112.572 + 93.012 86.644 103.405-110.068 + 93.431 0.000 118.744-132.403 diff --git a/examples/unres/CSA/GAB/CSA/global/restrained/1l2y_csa.CSA.bank1 b/examples/unres/CSA/GAB/CSA/global/restrained/1l2y_csa.CSA.bank1 new file mode 100644 index 0000000..027a12d --- /dev/null +++ b/examples/unres/CSA/GAB/CSA/global/restrained/1l2y_csa.CSA.bank1 @@ -0,0 +1,4202 @@ + 0 + jlee = 1 nbank = 200 nstep = 42569 276.07904 + # 1 total E -8.74779E+01 rmsd from N 0.000 %NC 0.00 0 + 93.986 127.309 143.206 -0.385 + 91.436 89.201 137.186 -22.553 + 91.097 46.859 121.586 103.535 + 89.863 45.314 147.763 -91.612 + 89.898 46.179 119.722-127.620 + 90.374 54.853 116.407 33.196 + 90.034 41.609 145.582-148.359 + 92.065 69.187 128.843-135.558 + 91.942 -61.246 139.108-131.190 + 114.812 -73.452 0.000 0.000 + 117.223 -61.956 0.000 0.000 + 93.792 91.385 137.238-164.691 + 94.890 81.309 117.600 -76.933 + 92.196 -85.987 113.628 -66.560 + 93.635 158.185 0.000 0.000 + 134.826 -84.755 154.428 109.155 + 116.592-106.800 114.727-122.661 + 113.087-138.465 101.761 -85.507 + 93.486 85.241 128.505-152.418 + 93.281 0.000 110.470 -77.489 + # 2 total E -8.56005E+01 rmsd from N 0.000 %NC 0.00 0 + 93.900 123.193 146.421 -7.576 + 91.296 84.592 126.205 -19.924 + 91.316 45.061 95.715 -87.541 + 90.945 43.878 151.104 -98.127 + 90.184 44.139 118.737-120.668 + 91.389 53.570 128.895 31.994 + 90.134 41.190 132.235-153.829 + 91.130 57.289 130.433-135.219 + 92.960-178.551 135.424-109.094 + 94.578 139.074 0.000 0.000 + 123.305 -16.496 0.000 0.000 + 103.083-155.960 95.424 -98.442 + 133.497 174.045 124.648 -83.529 + 112.978 -70.822 114.961 -80.899 + 95.188 39.949 0.000 0.000 + 112.914 -82.843 129.117 56.570 + 122.759-169.377 112.794-110.315 + 125.645-165.387 115.027-113.983 + 93.484 87.924 132.854-158.477 + 93.310 0.000 111.770 -77.558 + # 3 total E -8.65549E+01 rmsd from N 0.000 %NC 0.00 0 + 93.897 121.165 145.962 -9.538 + 91.557 84.632 136.205 -24.627 + 91.252 45.276 126.894 115.225 + 90.431 43.409 147.850 -92.739 + 89.964 46.224 118.512-122.849 + 90.501 51.040 156.891 24.180 + 91.073 45.315 142.329-143.444 + 93.212 110.386 132.453-134.067 + 90.204 -45.592 143.110 -83.840 + 98.573 -39.390 0.000 0.000 + 105.958 -13.383 0.000 0.000 + 98.618 -43.432 97.322 -83.589 + 93.989 -25.061 115.035 -76.917 + 106.840 -57.747 115.269 -78.166 + 94.829 78.876 0.000 0.000 + 124.161 -78.904 90.218 -62.871 + 116.554-112.470 115.945-120.133 + 122.333-156.171 125.708-128.600 + 94.181 63.588 100.619-100.258 + 93.295 0.000 117.120 -74.785 + # 4 total E -8.81158E+01 rmsd from N 0.000 %NC 0.00 0 + 93.706 36.727 108.497 -80.964 + 91.691 84.414 129.496 -22.344 + 91.626 44.027 122.647 91.521 + 91.050 43.726 150.203 -94.802 + 90.733 45.069 118.499-119.437 + 91.974 50.469 135.274 32.819 + 90.863 37.572 141.333 -92.027 + 92.307 60.459 131.008-133.112 + 92.849 -76.247 129.361-134.025 + 126.290 -67.596 0.000 0.000 + 136.131 -32.349 0.000 0.000 + 109.098 -30.610 91.818 -81.267 + 90.627 93.715 129.860 141.526 + 91.571 1.995 103.615 -80.081 + 118.701 -12.242 0.000 0.000 + 129.592 -73.250 127.558 -59.295 + 121.104-147.278 110.535-110.829 + 121.394-108.743 112.832-113.218 + 118.301-118.572 116.768-120.804 + 121.884 0.000 121.493 -81.089 + # 5 total E -8.68042E+01 rmsd from N 0.000 %NC 0.00 0 + 118.803-121.022 150.106 -16.353 + 118.746 170.365 163.117 -16.528 + 91.403 75.537 135.706 49.640 + 90.572 54.401 142.244-100.605 + 89.780 47.415 119.807 -74.673 + 91.055 50.441 131.704 38.200 + 90.590 38.321 143.446-114.617 + 92.384 61.840 129.780-133.971 + 92.105 -74.028 133.400-122.806 + 120.773 -67.443 0.000 0.000 + 132.242 -38.386 0.000 0.000 + 106.217 -28.974 93.534 -84.924 + 91.478 98.138 128.338 143.982 + 91.914 6.211 106.499 -79.147 + 120.762 -14.675 0.000 0.000 + 123.058 -82.252 97.996 -55.843 + 116.734-107.980 117.868-120.905 + 118.152-138.890 132.922-142.140 + 93.245 68.858 96.734 -95.640 + 93.408 0.000 127.001-130.683 + # 6 total E -9.02355E+01 rmsd from N 0.000 %NC 0.00 0 + 93.879 122.570 147.420 -8.674 + 91.375 84.330 126.983 -25.891 + 91.416 44.409 94.468 -85.471 + 90.671 44.436 148.601 -95.323 + 90.321 43.022 117.605-122.709 + 91.193 48.292 155.222 32.973 + 90.818 44.376 131.145-154.831 + 92.022 71.265 137.211-132.978 + 90.874 -65.998 134.817-124.866 + 110.041 -67.533 0.000 0.000 + 112.508 -55.980 0.000 0.000 + 92.479 76.433 139.963-169.255 + 92.673 107.795 112.932 -76.390 + 124.242 -87.381 117.372 -84.838 + 94.741 73.996 0.000 0.000 + 126.798 -73.457 140.272 -62.441 + 119.754-111.381 107.699-110.186 + 119.205-137.768 111.978-113.000 + 117.479-118.313 125.292-132.324 + 121.796 0.000 121.443 -80.965 + # 7 total E -8.87795E+01 rmsd from N 0.000 %NC 0.00 0 + 93.949 109.031 142.588 -3.016 + 92.405 149.606 133.454 -24.123 + 90.335 92.747 101.597 -95.122 + 89.988 49.474 164.051-155.695 + 89.143 47.690 125.972 -60.693 + 89.865 55.194 111.307 29.318 + 90.406 38.093 140.062-132.477 + 92.512 72.083 127.191-139.691 + 93.403 -49.884 141.399-123.778 + 129.020-143.295 0.000 0.000 + 92.014 45.292 0.000 0.000 + 91.802 62.940 96.665 -95.727 + 92.453 -47.529 134.336-120.048 + 122.501-164.648 124.302 -78.420 + 128.443 179.809 0.000 0.000 + 130.748 -80.528 109.015-114.384 + 118.176-105.135 124.258-133.843 + 119.607-137.430 107.199-104.969 + 93.114 87.262 106.155-115.417 + 93.268 0.000 109.883 -77.260 + # 8 total E -8.74436E+01 rmsd from N 0.000 %NC 0.00 0 + 93.874 120.473 147.045 -10.943 + 91.361 85.925 128.815 -15.137 + 90.811 45.725 93.060 -87.898 + 90.238 45.683 146.946 -97.033 + 90.093 42.794 120.989-128.279 + 90.981 48.420 144.886 24.868 + 90.371 43.804 131.463-159.549 + 91.963 75.187 136.872-133.707 + 90.592 -95.518 137.850-122.574 + 95.578 52.714 0.000 0.000 + 151.319 -71.377 0.000 0.000 + 129.197 162.808 105.926 -98.068 + 94.051 81.190 111.219 -79.149 + 121.967 -48.571 124.678 -80.157 + 95.684 90.498 0.000 0.000 + 124.574 -77.581 114.049-111.226 + 120.067-113.912 114.351-119.318 + 119.288-167.488 108.127-108.074 + 92.846 86.673 102.692-113.298 + 93.441 0.000 120.229-135.544 + # 9 total E -8.94140E+01 rmsd from N 0.000 %NC 0.00 0 + 93.979 126.110 143.146 -2.575 + 91.378 88.776 131.586 -18.454 + 90.831 47.487 125.237 98.582 + 89.815 45.942 149.610 -93.035 + 90.237 45.299 120.757-129.300 + 91.018 49.933 126.934 39.993 + 90.604 39.842 142.940-124.122 + 92.033 62.041 132.891-133.302 + 91.711 -72.972 130.962-132.317 + 119.848 -66.463 0.000 0.000 + 127.638 -44.372 0.000 0.000 + 105.545 -28.244 93.552 -87.584 + 91.523 99.257 126.844 131.621 + 91.685 10.777 106.307 -78.922 + 119.920 -14.368 0.000 0.000 + 128.547 -82.032 91.883 -64.157 + 118.219-162.899 114.181-117.120 + 124.014-144.806 116.190-115.625 + 93.237 54.223 95.662 -95.747 + 93.361 0.000 111.171 -81.490 + # 10 total E -8.64701E+01 rmsd from N 0.000 %NC 0.00 0 + 93.875 107.963 146.033 -10.338 + 91.440 75.135 142.022 -35.492 + 91.648 43.110 168.975 13.306 + 90.749 48.453 146.311 -93.619 + 89.754 44.322 115.001-126.560 + 90.532 58.607 129.013 37.329 + 90.033 40.649 149.972-142.146 + 91.803 59.796 127.210-136.891 + 92.200 -70.771 138.725-121.529 + 117.112 -46.620 0.000 0.000 + 119.310 -58.028 0.000 0.000 + 108.436 156.915 132.730-148.814 + 93.909 84.617 115.216 -75.336 + 93.851 -90.023 116.727 -80.188 + 93.838 159.195 0.000 0.000 + 135.621 -83.915 156.211-103.146 + 116.705-106.766 112.847-120.075 + 119.316-138.504 110.379-109.575 + 117.449-118.674 126.406-135.916 + 121.825 0.000 121.605 -80.918 + # 11 total E -8.68832E+01 rmsd from N 0.000 %NC 0.00 0 + 93.940 126.287 145.306 -2.956 + 91.455 88.312 134.880 -27.207 + 90.832 47.064 122.229 101.454 + 89.424 47.387 146.309 -90.804 + 89.733 44.555 120.649-129.079 + 90.221 52.190 121.296 28.417 + 90.027 40.484 145.607-155.218 + 91.816 67.213 131.729-134.919 + 91.367 -62.120 135.569-126.213 + 117.267 -82.693 0.000 0.000 + 128.632 -84.201 0.000 0.000 + 92.972 48.888 135.219-162.988 + 92.541 54.749 113.324 -76.050 + 111.254 -56.354 113.476 -82.572 + 128.315 77.667 0.000 0.000 + 125.483 -68.097 161.286 -7.804 + 119.262-113.061 106.577-109.078 + 120.427-141.403 117.061-118.934 + 93.333 70.104 102.866-104.887 + 93.313 0.000 112.873 -78.075 + # 12 total E -8.81242E+01 rmsd from N 0.000 %NC 0.00 0 + 93.853 99.757 146.810 -12.388 + 91.418 72.579 137.420 -39.338 + 91.188 46.420 117.891 104.606 + 90.095 49.129 141.929 -89.758 + 90.085 44.207 119.280-125.494 + 90.800 49.635 146.235 38.681 + 90.530 43.147 138.917-169.400 + 92.016 68.572 135.246-133.663 + 91.340 -70.794 136.407-122.807 + 112.818 -69.280 0.000 0.000 + 119.059 -62.321 0.000 0.000 + 92.765 66.666 136.497-165.369 + 92.897 97.264 113.352 -76.298 + 127.756 -81.477 118.296 -84.341 + 95.227 80.474 0.000 0.000 + 126.665 -64.230 144.685 -28.047 + 117.789-142.821 84.459 -83.963 + 100.668 136.751 129.537-147.799 + 94.138 23.147 97.830 -87.481 + 93.390 0.000 115.988 -78.541 + # 13 total E -8.88714E+01 rmsd from N 0.000 %NC 0.00 0 + 93.809 54.933 146.285 -24.818 + 93.495 177.091 138.203 -50.735 + 111.666 166.366 110.689 -64.718 + 90.162 75.011 124.942-113.984 + 89.492 51.414 104.024-106.622 + 89.733 55.305 123.890 37.409 + 90.288 38.235 143.374-172.016 + 92.218 65.533 129.294-132.683 + 92.034 -65.780 136.615-126.993 + 118.679 -55.476 0.000 0.000 + 119.360 -46.720 0.000 0.000 + 113.277 107.580 133.545-146.488 + 93.068 109.183 115.713 -76.393 + 130.558-101.935 113.776 -83.086 + 95.200 70.870 0.000 0.000 + 127.242 -85.035 113.795-106.644 + 115.925-115.166 88.572 -87.275 + 119.513-143.018 117.823-119.767 + 92.681 71.820 131.945-154.582 + 93.330 0.000 109.500 -80.980 + # 14 total E -8.61343E+01 rmsd from N 0.000 %NC 0.00 0 + 93.877 114.391 146.077 -11.485 + 91.512 80.621 135.371 -26.963 + 91.619 41.942 130.649 112.442 + 90.642 45.980 144.242 -90.558 + 89.875 43.066 117.935-123.745 + 90.597 55.037 124.566 28.082 + 90.330 37.123 146.721-176.132 + 91.972 62.110 128.736-131.895 + 92.418 -58.183 132.773-125.483 + 124.271 -53.351 0.000 0.000 + 120.664 -18.669 0.000 0.000 + 112.347-150.495 91.146 -71.994 + 92.583 105.566 122.926 -72.385 + 94.040 26.050 113.197 -76.996 + 96.175 61.545 0.000 0.000 + 120.383 -82.228 105.870 -55.372 + 115.166-105.943 122.325-131.187 + 118.675-142.483 108.655-107.388 + 93.308 49.545 102.095-114.398 + 93.365 0.000 114.014 -79.684 + # 15 total E -9.07848E+01 rmsd from N 0.000 %NC 0.00 0 + 93.979 123.124 142.707 -6.634 + 91.531 90.698 137.376 -12.661 + 90.538 45.399 131.023 115.975 + 90.043 46.489 144.876 -92.876 + 89.430 45.706 123.727-135.339 + 89.502 49.909 149.621 -4.998 + 90.227 44.256 141.554-160.886 + 91.674 74.421 133.299-133.148 + 90.469 -57.306 133.059-133.056 + 108.450 -70.511 0.000 0.000 + 100.819 -27.242 0.000 0.000 + 92.835 100.516 138.528-165.188 + 93.125 109.027 115.223 -78.308 + 118.791 -85.905 127.716-156.165 + 95.385 73.948 0.000 0.000 + 127.876 -79.501 135.295 -51.481 + 118.668-111.715 114.159-118.209 + 120.869-147.134 111.853-112.248 + 93.035 86.102 100.051-105.105 + 93.399 0.000 119.599-130.560 + # 16 total E -9.02345E+01 rmsd from N 0.000 %NC 0.00 0 + 93.865 101.042 146.217 -11.661 + 91.390 71.029 135.942 -43.490 + 91.942 43.899 134.498 113.358 + 90.699 49.253 141.110 -91.456 + 90.006 41.541 121.528-119.557 + 91.018 53.878 155.170 -96.911 + 90.365 40.288 138.348 175.409 + 92.045 70.772 106.489 -98.176 + 91.021 -67.023 132.849-129.918 + 106.912 -64.764 0.000 0.000 + 99.550 -28.387 0.000 0.000 + 92.971 104.757 136.944-162.882 + 93.706 115.094 114.917 -76.595 + 114.734 -86.492 117.192 -79.388 + 95.275 71.015 0.000 0.000 + 129.792 -82.406 117.893-105.027 + 118.325-110.578 121.466-130.053 + 105.140-170.787 97.856 -97.289 + 92.488 61.596 103.902-115.268 + 93.343 0.000 110.290 -81.288 + # 17 total E -9.24904E+01 rmsd from N 0.000 %NC 0.00 0 + 93.868 122.977 148.170 -8.645 + 91.464 84.174 130.251 -30.996 + 91.852 43.327 94.826 -84.392 + 90.922 43.887 146.544 -93.725 + 90.160 42.585 117.378-119.725 + 90.812 49.527 162.874 35.845 + 90.630 46.600 132.926-168.550 + 92.025 75.460 136.347-130.156 + 90.248 -65.297 132.218-135.739 + 102.247 -65.729 0.000 0.000 + 98.018 -33.247 0.000 0.000 + 92.853 104.667 140.506-169.802 + 94.368 103.573 113.317 -77.200 + 122.253 -96.697 118.368 -77.820 + 94.612 79.794 0.000 0.000 + 130.489 -68.620 127.257 -88.618 + 119.007-110.221 106.504-109.617 + 117.734-161.495 112.262-114.394 + 93.732 58.057 103.705-114.202 + 93.417 0.000 125.686-143.015 + # 18 total E -8.91004E+01 rmsd from N 0.000 %NC 0.00 0 + 93.859 99.803 146.566 -12.013 + 91.396 71.307 139.839 -40.194 + 90.661 49.661 120.858 114.549 + 89.556 45.791 146.710 -91.625 + 89.956 45.083 118.369-122.486 + 90.606 50.176 152.263 33.983 + 90.380 41.643 138.159-150.503 + 92.046 67.834 133.061-135.030 + 91.155 -67.572 136.331-115.038 + 112.209 -62.207 0.000 0.000 + 117.937 -54.522 0.000 0.000 + 92.816 74.647 140.637-169.734 + 93.447 98.871 112.911 -76.293 + 114.380 -71.755 152.034 -93.606 + 96.836 80.901 0.000 0.000 + 130.652 -84.130 156.194-112.496 + 121.444-113.225 107.546-109.898 + 118.001-143.863 118.152-121.870 + 93.279 67.250 106.887-106.472 + 93.318 0.000 112.973 -78.304 + # 19 total E -8.51105E+01 rmsd from N 0.000 %NC 0.00 0 + 94.015 127.361 141.548 0.269 + 90.959 84.736 131.292 -0.082 + 89.774 52.849 102.197 -86.804 + 90.168 42.922 169.282-146.056 + 90.006 44.998 133.001-124.710 + 90.142 55.600 130.497 34.012 + 90.619 45.163 136.117-137.815 + 91.372 84.782 130.843-143.074 + 92.060 -3.611 145.240-148.322 + 107.761 -80.156 0.000 0.000 + 94.545 -32.018 0.000 0.000 + 95.480 149.638 141.335-168.773 + 93.310 82.318 112.651 -77.323 + 141.694-106.043 122.086 -88.081 + 95.486 86.835 0.000 0.000 + 130.096 -69.173 125.290-113.030 + 118.181-110.235 113.939-119.720 + 119.987-115.422 109.835-109.092 + 118.452-117.076 117.946-122.549 + 122.012 0.000 120.804 -81.725 + # 20 total E -8.73809E+01 rmsd from N 0.000 %NC 0.00 0 + 93.898 120.470 145.620 -10.629 + 91.522 88.194 132.092 -16.414 + 90.440 49.176 91.884 -84.266 + 89.884 43.010 148.223 -97.024 + 90.395 44.912 121.359-127.200 + 91.090 47.114 150.132 40.633 + 90.726 43.826 131.349-145.866 + 92.164 70.698 136.134-134.770 + 90.853 -67.218 137.665-115.009 + 111.039 -62.748 0.000 0.000 + 116.295 -60.794 0.000 0.000 + 92.710 66.437 135.054-161.956 + 93.065 96.041 113.390 -76.398 + 93.586 -37.010 111.040 -80.870 + 114.986 -24.388 0.000 0.000 + 125.839 -84.778 79.651 -67.261 + 117.082-111.206 118.085-124.387 + 120.615-107.341 114.509-111.340 + 92.931 79.816 92.265-103.300 + 93.236 0.000 106.916 -78.661 + # 21 total E -8.53321E+01 rmsd from N 0.000 %NC 0.00 0 + 93.715 41.500 108.746 -80.694 + 91.770 80.587 138.227 -30.050 + 90.822 47.738 123.748 103.274 + 89.904 44.782 149.218 -93.956 + 90.194 45.924 118.014-123.750 + 91.073 50.565 124.822 31.692 + 90.387 43.137 142.278-125.412 + 91.554 67.604 131.885-132.850 + 93.125-104.071 134.586-138.707 + 137.859 -77.711 0.000 0.000 + 126.212 -40.470 0.000 0.000 + 92.567 64.655 135.054-161.620 + 92.648 84.375 112.977 -76.344 + 128.763-110.368 116.881 -85.321 + 95.474 73.067 0.000 0.000 + 133.170 -66.209 157.638 -45.757 + 119.113-109.086 106.069-109.029 + 120.928-137.482 112.509-111.612 + 117.759-118.526 123.018-129.677 + 121.949 0.000 121.523 -81.119 + # 22 total E -8.53832E+01 rmsd from N 0.000 %NC 0.00 0 + 93.855 95.991 146.256 -14.443 + 92.892 148.511 140.042 -38.566 + 129.541-126.619 92.542-103.811 + 91.890 65.175 144.694-100.731 + 90.600 43.099 101.256 -94.211 + 91.999 54.725 120.124 47.406 + 90.826 39.944 131.296-146.862 + 93.106 73.005 133.323-136.581 + 94.076 -96.066 145.156-138.631 + 130.600 -71.217 0.000 0.000 + 107.685 -24.853 0.000 0.000 + 92.750 98.885 97.683 -86.658 + 94.517 97.650 106.844 -79.198 + 126.005-134.735 115.601 -74.715 + 93.993 64.855 0.000 0.000 + 122.665 -75.158 108.437 -65.688 + 109.613-163.762 93.308 -86.507 + 129.396-166.622 116.346-112.135 + 93.665 79.947 91.381 -93.556 + 93.324 0.000 109.115 -80.836 + # 23 total E -8.86830E+01 rmsd from N 0.000 %NC 0.00 0 + 119.057-138.818 147.531 -15.771 + 118.570-101.297 141.772 -38.153 + 91.050 56.093 132.598 117.987 + 90.287 45.575 144.541 -97.040 + 89.478 46.704 123.454-106.143 + 89.690 51.413 153.330 -1.486 + 90.272 44.227 139.279-161.300 + 91.426 74.592 106.841-102.649 + 90.449 -59.236 131.443-136.269 + 107.262 -69.479 0.000 0.000 + 100.286 -27.991 0.000 0.000 + 92.878 101.019 138.350-165.117 + 93.334 110.533 115.297 -78.376 + 119.093 -87.728 127.725-155.990 + 95.261 72.826 0.000 0.000 + 127.081 -78.035 129.732 -71.788 + 119.048-112.712 113.082-117.640 + 120.723-145.675 112.896-113.748 + 93.091 84.875 98.668-102.026 + 93.426 0.000 120.664-129.217 + # 24 total E -8.66571E+01 rmsd from N 0.000 %NC 0.00 0 + 93.726 8.132 100.087 -79.850 + 92.894 179.596 140.839 -24.231 + 91.814 69.505 132.521 115.218 + 90.348 37.982 150.698 -95.876 + 89.733 56.250 130.069 -51.196 + 89.961 55.010 136.198 31.969 + 89.931 37.092 132.756-150.076 + 92.488 62.131 129.748-132.849 + 91.817 -68.986 138.228-103.795 + 115.010 -62.408 0.000 0.000 + 129.650 -52.581 0.000 0.000 + 103.125 -24.082 135.603-157.551 + 91.800 98.221 137.954-174.008 + 91.587 0.918 110.784 -75.940 + 106.267 -55.503 0.000 0.000 + 137.432-114.767 99.286 -58.246 + 117.315-109.446 119.101-126.501 + 119.722-143.365 116.348-116.742 + 93.241 88.410 102.109-103.199 + 93.281 0.000 109.434 -78.015 + # 25 total E -8.51086E+01 rmsd from N 0.000 %NC 0.00 0 + 94.041 103.918 137.097 -1.509 + 93.080 160.783 140.522 -45.018 + 106.289 166.067 110.967 -66.630 + 90.505 72.100 129.058-112.750 + 89.542 47.123 117.865-120.845 + 89.758 57.348 124.559 25.087 + 90.291 33.788 144.027-169.397 + 92.539 66.478 128.243-133.362 + 92.187 -51.375 135.973-118.759 + 120.875 -62.167 0.000 0.000 + 121.377 -27.510 0.000 0.000 + 115.549-143.494 132.563-143.853 + 120.989-144.359 115.011 -83.877 + 94.680 36.963 115.939 -76.372 + 96.369 58.627 0.000 0.000 + 119.906 -89.675 141.593 -26.425 + 118.691-156.177 113.967-116.269 + 119.576-170.038 138.249-149.903 + 92.988 77.839 108.686-109.829 + 93.319 0.000 112.255 -78.292 + # 26 total E -8.57344E+01 rmsd from N 0.000 %NC 0.00 0 + 93.936 122.106 143.970 -8.186 + 91.482 87.407 133.400 -16.372 + 91.391 42.376 133.687 108.685 + 90.237 48.574 144.131 -90.838 + 89.814 42.785 120.145-131.803 + 90.394 53.578 128.168 29.993 + 90.378 35.861 143.902-176.299 + 92.194 59.950 130.161-132.784 + 92.207 -60.007 134.227-110.717 + 124.520 -52.092 0.000 0.000 + 123.594 -16.386 0.000 0.000 + 114.946-165.366 84.324 -75.516 + 93.964 144.152 114.343 -74.964 + 126.014 -73.684 115.455 -82.154 + 94.582 69.295 0.000 0.000 + 116.233 -68.374 94.948 -75.835 + 117.471-110.070 117.639-124.715 + 118.396-132.375 149.332-166.697 + 92.809 82.600 90.171 -99.824 + 93.402 0.000 120.738-124.615 + # 27 total E -9.14878E+01 rmsd from N 0.000 %NC 0.00 0 + 93.853 102.470 146.981 -11.750 + 91.473 75.389 139.011 -32.603 + 91.093 45.436 123.065 117.437 + 90.093 45.383 141.974 -90.973 + 89.741 44.977 118.384-122.845 + 90.407 47.144 156.796 20.251 + 90.712 46.814 135.508-179.906 + 91.968 75.730 136.719-128.772 + 90.229 -65.233 130.683-136.791 + 104.016 -68.468 0.000 0.000 + 98.749 -28.979 0.000 0.000 + 93.183 104.563 136.633-162.451 + 94.032 96.946 114.957 -76.671 + 122.450 -91.308 119.738 -77.043 + 94.878 86.469 0.000 0.000 + 133.284 -65.144 136.671-109.035 + 116.151-134.348 84.188-103.727 + 122.899-169.732 111.276-110.615 + 93.446 53.996 97.850 -97.559 + 93.349 0.000 111.546 -80.748 + # 28 total E -8.54431E+01 rmsd from N 0.000 %NC 0.00 0 + 93.724 18.160 102.429 -79.210 + 92.616 173.492 148.423-141.544 + 90.675 74.162 123.485 -38.125 + 89.697 52.303 134.911 -94.570 + 89.517 47.511 131.213-109.478 + 89.255 47.480 101.164-145.173 + 90.494 46.987 153.454 174.541 + 92.156 72.028 135.066-130.415 + 91.786 -53.729 107.328 -72.223 + 110.776-141.261 0.000 0.000 + 92.274 44.065 0.000 0.000 + 89.837 50.035 97.671 -96.779 + 89.997 40.977 113.874 -75.599 + 94.007-160.732 117.846 -79.944 + 94.382 129.332 0.000 0.000 + 130.187 -77.579 146.763 -79.908 + 117.016-106.452 117.036-125.033 + 120.582-142.550 110.895-109.414 + 93.092 76.289 107.419-118.574 + 93.307 0.000 112.051 -78.031 + # 29 total E -8.67800E+01 rmsd from N 0.000 %NC 0.00 0 + 117.048-175.134 147.787 -17.604 + 114.934-116.140 145.535 -31.399 + 92.025 53.835 128.633 104.641 + 90.291 42.725 140.003 -89.166 + 90.237 47.059 108.183 -64.781 + 90.343 46.346 155.401 47.655 + 90.663 49.396 139.837 173.521 + 91.979 75.381 136.892-131.178 + 90.320 -68.744 135.800-128.281 + 102.254 -65.650 0.000 0.000 + 98.737 -33.435 0.000 0.000 + 92.651 102.911 136.657-163.779 + 94.611 116.856 112.451 -77.331 + 115.713 -87.445 121.469 -80.451 + 95.438 66.633 0.000 0.000 + 128.660 -87.536 108.517 -97.085 + 118.096-111.496 120.893-128.709 + 121.959-166.220 111.475-110.711 + 93.357 46.397 100.121-100.259 + 93.362 0.000 113.090 -80.087 + # 30 total E -8.53120E+01 rmsd from N 0.000 %NC 0.00 0 + 93.865 95.179 145.851 -13.486 + 91.347 72.043 136.694 -83.541 + 90.260 57.551 126.433 108.161 + 88.689 46.422 146.739 -92.664 + 89.416 46.593 119.123 -81.686 + 90.481 52.164 137.004 35.957 + 90.172 37.450 136.082-161.831 + 92.151 59.603 128.783-132.675 + 91.944 -73.123 132.904-115.886 + 117.887 -65.818 0.000 0.000 + 130.488 -57.022 0.000 0.000 + 103.631 -17.322 136.513-159.920 + 91.949 93.335 127.832 9.269 + 91.318 -3.070 113.370 -74.769 + 108.279 -46.782 0.000 0.000 + 131.563-124.241 93.978 -60.680 + 120.737-169.724 126.335-138.409 + 93.283 119.429 103.476 -92.548 + 92.964 95.991 106.683-119.237 + 93.378 0.000 112.387 -78.930 + # 31 total E -8.63717E+01 rmsd from N 0.000 %NC 0.00 0 + 93.918 124.129 145.666 -6.642 + 91.177 90.233 130.579 -0.617 + 89.760 55.100 98.910 -87.517 + 89.656 42.458 150.749 -97.572 + 90.013 45.774 127.669-140.590 + 90.435 55.910 126.668 61.891 + 90.195 40.741 142.810-137.734 + 92.077 64.442 127.908-135.649 + 92.511 -41.753 142.800-153.459 + 114.309-159.237 0.000 0.000 + 94.129 44.869 0.000 0.000 + 90.411 48.519 97.944 -96.865 + 90.359 42.409 112.337 -80.018 + 95.622-162.717 111.600 -75.944 + 93.883 144.008 0.000 0.000 + 133.684 -78.890 144.220-114.017 + 114.581-109.197 86.059 -92.044 + 116.397-141.438 114.855-117.618 + 93.773 74.131 129.037-153.578 + 93.305 0.000 113.009 -77.421 + # 32 total E -8.77598E+01 rmsd from N 0.000 %NC 0.00 0 + 93.704 22.826 106.313 -81.349 + 92.383 163.790 145.583-135.141 + 91.130 64.476 122.329 -41.484 + 90.524 51.671 169.675 170.376 + 89.545 47.718 127.755 -68.236 + 89.585 47.390 112.096-140.443 + 90.104 60.993 154.106-143.513 + 90.160 96.689 127.059-113.888 + 92.223 -47.612 101.828 -85.737 + 96.489 81.571 0.000 0.000 + 132.125 -59.289 0.000 0.000 + 133.326 167.238 100.152 -88.523 + 130.518 166.455 120.231 -80.095 + 113.723 -76.426 114.921 -79.581 + 94.810 62.125 0.000 0.000 + 125.421 -81.266 82.856 -72.050 + 118.806-162.932 111.489-114.349 + 113.713-140.923 122.923-131.144 + 94.148 64.190 100.960 -93.785 + 93.314 0.000 115.018 -76.793 + # 33 total E -9.03486E+01 rmsd from N 0.000 %NC 0.00 0 + 115.872 -51.337 110.271 -81.997 + 91.781 80.008 132.528 -29.777 + 92.103 42.164 99.482 -81.655 + 91.213 44.069 147.184 -98.549 + 90.126 42.234 119.907-113.023 + 90.935 51.949 164.881 20.187 + 90.428 45.855 132.810-169.205 + 91.691 75.031 108.901-101.706 + 90.319 -65.480 131.063-136.901 + 102.722 -66.019 0.000 0.000 + 98.213 -32.390 0.000 0.000 + 92.905 104.842 140.523-169.605 + 94.393 103.771 113.694 -77.112 + 121.371 -96.082 119.611 -77.591 + 94.791 80.013 0.000 0.000 + 131.184 -68.968 126.671 -92.014 + 118.668-109.176 108.218-112.091 + 117.897-161.115 111.558-113.273 + 93.734 58.347 103.087-114.680 + 93.419 0.000 125.315-143.521 + # 34 total E -8.68120E+01 rmsd from N 0.000 %NC 0.00 0 + 93.895 121.875 146.237 -9.380 + 91.319 86.740 128.443 -14.547 + 90.594 48.931 95.958 -90.449 + 89.723 44.172 149.983 -96.631 + 89.895 46.521 121.442-127.456 + 90.781 49.870 123.671 50.022 + 90.058 46.583 127.722-155.084 + 90.878 56.962 133.750-135.697 + 91.969 169.552 141.694-123.304 + 95.459 104.166 0.000 0.000 + 124.979 -51.121 0.000 0.000 + 110.182 172.638 132.149-145.997 + 121.215 177.527 119.583 -79.928 + 94.521 31.749 115.891 -76.354 + 96.431 71.494 0.000 0.000 + 124.269 -80.735 149.833 -96.910 + 118.915-112.455 108.306-110.487 + 118.830-142.299 112.829-114.125 + 116.014-118.310 134.815-148.100 + 121.705 0.000 121.567 -80.701 + # 35 total E -9.08499E+01 rmsd from N 0.000 %NC 0.00 0 + 93.858 122.355 148.577 -9.327 + 91.450 83.370 127.936 -32.586 + 91.867 44.201 92.874 -82.727 + 91.056 43.894 147.676 -99.670 + 90.004 42.850 119.564-113.319 + 90.968 52.595 164.371 10.654 + 90.461 46.067 131.722-166.473 + 91.610 74.432 108.066-102.991 + 90.421 -65.209 129.818-137.835 + 103.320 -66.301 0.000 0.000 + 98.765 -31.866 0.000 0.000 + 92.856 104.216 139.924-168.551 + 94.388 102.538 113.487 -77.136 + 122.730 -95.180 119.904 -77.614 + 94.724 81.071 0.000 0.000 + 130.883 -69.067 129.424 -94.994 + 118.972-107.755 109.619-113.875 + 118.416-139.270 110.477-111.523 + 117.210-118.157 127.227-136.658 + 121.768 0.000 121.487 -80.867 + # 36 total E -8.68202E+01 rmsd from N 0.000 %NC 0.00 0 + 93.704 41.018 108.943 -81.310 + 92.621 168.359 145.981 -31.163 + 94.428 95.456 142.958-106.889 + 108.811 -56.642 124.537 -69.511 + 90.728 80.088 111.045 -96.809 + 91.191 48.440 121.400 35.424 + 90.418 44.371 157.376-135.563 + 91.475 62.492 116.128-140.842 + 91.652 -66.509 131.008-132.299 + 116.056 -60.883 0.000 0.000 + 125.800 -56.247 0.000 0.000 + 103.063 -21.829 139.745-164.588 + 92.736 97.440 130.914 130.432 + 92.325 6.742 110.392 -75.799 + 119.277 -11.171 0.000 0.000 + 128.519 -78.470 91.512 -61.158 + 116.511-106.930 118.393-123.151 + 118.831-138.931 141.230-153.315 + 93.519 51.795 90.635 -99.264 + 93.363 0.000 113.381 -80.041 + # 37 total E -8.90749E+01 rmsd from N 0.000 %NC 0.00 0 + 93.792 85.658 146.674 -26.487 + 92.928 118.781 148.531 -31.945 + 134.278 -96.052 86.410 -99.786 + 91.549 59.584 142.733-105.772 + 90.266 44.247 113.968 -82.937 + 90.600 52.465 153.774 35.328 + 90.881 66.106 131.387 -55.197 + 91.781 102.966 132.229-128.569 + 91.207 -25.001 145.725-132.075 + 101.595 -71.388 0.000 0.000 + 98.848 -21.444 0.000 0.000 + 93.314 102.336 134.284-157.461 + 94.074 112.016 119.569 -75.254 + 120.644 -98.972 117.985 -83.513 + 95.192 64.066 0.000 0.000 + 129.777 -86.007 101.420 -62.643 + 117.260-111.394 114.680-119.860 + 122.483-149.084 113.128-111.272 + 92.264 80.442 106.813-116.928 + 93.323 0.000 108.297 -81.112 + # 38 total E -8.63785E+01 rmsd from N 0.000 %NC 0.00 0 + 93.968 125.811 143.522 -3.220 + 91.460 89.974 135.284 -17.486 + 91.085 45.310 124.605 105.970 + 89.397 45.031 143.366 -87.904 + 89.696 48.679 121.273-131.429 + 89.592 54.135 133.546 57.032 + 90.159 36.651 140.617-172.638 + 92.480 58.289 127.331-131.285 + 92.529 -52.848 142.180-119.447 + 123.339 -65.183 0.000 0.000 + 123.397 -21.595 0.000 0.000 + 94.727 86.161 83.913 -83.072 + 135.651 -92.010 150.993 -0.366 + 123.753 -58.323 118.739 -79.997 + 95.502 72.055 0.000 0.000 + 117.567 -79.597 84.761 -64.449 + 116.457-112.316 112.499-114.625 + 120.559-145.403 134.139-143.926 + 92.693 74.982 101.139-100.898 + 93.324 0.000 110.201 -80.100 + # 39 total E -8.68515E+01 rmsd from N 0.000 %NC 0.00 0 + 93.754 104.902 150.801 -23.093 + 92.934 123.590 138.113 -40.535 + 124.648 -90.543 86.421 -93.041 + 90.456 58.796 142.635-120.050 + 89.599 41.371 123.771-106.147 + 89.307 65.587 132.906 -23.193 + 89.500 44.489 154.114-159.507 + 90.215 66.463 86.375 -79.304 + 90.872 -57.469 133.666-118.248 + 115.694 -80.745 0.000 0.000 + 120.519 -43.788 0.000 0.000 + 104.316 178.879 133.443-149.722 + 94.221 67.148 108.300 -78.584 + 93.309 -92.273 122.578 -80.351 + 94.494 152.697 0.000 0.000 + 134.213-110.332 144.396-111.458 + 118.333-108.608 116.261-122.385 + 118.417-149.389 114.423-116.123 + 94.016 47.242 97.537 -93.518 + 93.411 0.000 132.482-138.694 + # 40 total E -8.55525E+01 rmsd from N 0.000 %NC 0.00 0 + 93.728 94.257 150.596 -27.351 + 93.058 127.003 141.556 -41.311 + 129.720 -98.097 96.072-103.026 + 92.364 51.216 150.256-105.008 + 90.694 41.912 105.517 -67.773 + 91.750 47.249 154.519 104.060 + 90.568 68.301 139.042-107.754 + 91.000 26.831 135.588-117.877 + 92.574-115.711 102.324 -75.358 + 92.656 147.330 0.000 0.000 + 93.603 47.234 0.000 0.000 + 89.094 50.630 108.144-120.267 + 89.746 41.298 111.752 -77.386 + 94.555-119.910 109.763 -76.763 + 94.503 154.449 0.000 0.000 + 131.334 -82.776 137.629 -69.172 + 117.875-106.534 120.058-127.726 + 119.368-140.323 110.543-110.491 + 93.289 62.303 96.692-103.954 + 93.334 0.000 112.519 -79.327 + # 41 total E -8.60147E+01 rmsd from N 0.000 %NC 0.00 0 + 93.872 83.800 145.287 -13.939 + 92.967 166.488 137.994 -40.152 + 108.763 170.501 110.783 -71.429 + 91.069 72.124 132.019-110.773 + 90.138 46.261 123.901-127.523 + 91.059 54.774 121.482 15.070 + 90.600 31.351 140.305-144.350 + 93.229 69.337 125.603-133.194 + 93.089 -51.882 136.089-114.474 + 130.672 -76.998 0.000 0.000 + 142.757 -26.056 0.000 0.000 + 107.399 -26.584 95.388 -87.026 + 91.399 98.214 118.431 140.931 + 91.630 3.357 105.234 -78.965 + 117.770 -21.646 0.000 0.000 + 129.314 -70.536 131.408 -60.498 + 119.072-135.194 111.105-112.879 + 123.278-167.750 117.307-118.587 + 93.578 65.662 100.158 -97.861 + 93.320 0.000 113.541 -78.024 + # 42 total E -8.92478E+01 rmsd from N 0.000 %NC 0.00 0 + 93.867 120.696 147.416 -11.375 + 91.444 88.604 130.115 -16.256 + 90.551 47.997 93.522 -85.809 + 89.267 46.033 143.814 -95.418 + 89.255 50.169 122.469-131.982 + 89.326 49.465 154.897 37.301 + 90.704 63.894 130.789 -54.201 + 91.633 102.851 133.595-133.261 + 91.165 -24.542 145.746-130.390 + 101.275 -71.578 0.000 0.000 + 98.682 -21.781 0.000 0.000 + 93.334 102.680 134.276-157.496 + 94.172 113.218 119.596 -75.258 + 120.899-100.099 118.070 -84.237 + 95.352 64.014 0.000 0.000 + 126.788 -87.506 99.223 -62.448 + 116.861-110.626 119.582-126.942 + 121.349-147.136 111.612-109.776 + 92.290 77.985 104.702-112.240 + 93.326 0.000 108.160 -81.508 + # 43 total E -8.54811E+01 rmsd from N 0.000 %NC 0.00 0 + 93.925 122.239 144.626 -8.575 + 91.517 89.633 132.622 -18.327 + 91.379 44.661 132.267 95.621 + 90.105 47.017 140.812 -90.342 + 89.788 45.026 121.124-131.023 + 90.442 46.833 147.236 4.767 + 90.560 44.342 139.860 155.064 + 91.699 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119.904-127.189 + 121.989-139.018 111.249-108.691 + 93.321 79.271 132.839-155.994 + 93.296 0.000 111.908 -77.547 + # 45 total E -8.78274E+01 rmsd from N 0.000 %NC 0.00 0 + 93.705 44.852 109.193 -81.125 + 92.953 172.755 144.487 -20.377 + 91.877 78.502 146.413 108.210 + 89.733 46.976 145.168 -94.576 + 89.255 47.242 114.469 -66.853 + 90.171 48.367 156.418 4.251 + 90.661 42.913 134.439-162.158 + 92.187 73.407 132.762-132.040 + 90.902 -59.491 132.138-133.325 + 108.153 -68.979 0.000 0.000 + 101.124 -27.396 0.000 0.000 + 93.011 99.948 138.895-166.540 + 93.071 105.795 115.141 -78.851 + 125.939 -87.619 129.299-154.495 + 95.506 74.862 0.000 0.000 + 124.414 -79.745 135.217 -86.828 + 119.858-111.520 115.641-121.049 + 119.577-133.654 110.297-110.332 + 118.512-118.647 117.709-121.357 + 121.885 0.000 121.525 -81.075 + # 46 total E -8.89890E+01 rmsd from N 0.000 %NC 0.00 0 + 93.876 119.003 146.709 -11.086 + 91.492 83.180 141.673 -29.887 + 91.212 46.184 114.910 111.811 + 90.266 46.228 148.048 -89.762 + 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86.291 126.417 -24.325 + 91.905 42.584 94.045 -88.398 + 90.529 45.788 139.968 -91.796 + 89.888 44.213 117.430-124.878 + 90.962 45.259 148.062 35.491 + 90.934 46.987 132.131 149.178 + 91.789 67.366 139.447-131.886 + 91.354-101.891 133.953-113.695 + 94.176 151.150 0.000 0.000 + 141.522 -47.685 0.000 0.000 + 116.616-151.437 116.102-120.096 + 94.444 128.445 115.438 -77.237 + 91.538 -77.701 110.157 -82.133 + 94.522 6.307 0.000 0.000 + 123.653 -79.280 117.202 82.566 + 118.716-161.099 117.731-120.951 + 95.867-171.364 105.003-109.565 + 93.971 68.629 128.100-153.563 + 93.314 0.000 114.134 -77.281 + # 50 total E -8.82215E+01 rmsd from N 0.000 %NC 0.00 0 + 93.896 122.982 146.597 -7.921 + 91.503 84.502 135.508 -24.192 + 90.237 48.520 92.976 -82.617 + 90.136 41.014 154.243 -96.372 + 90.192 45.009 120.156-120.422 + 90.504 54.622 156.615 91.141 + 90.193 41.205 141.132-134.914 + 92.083 61.489 129.233-136.632 + 91.887 -71.036 140.092-122.926 + 112.540 -48.238 0.000 0.000 + 115.000 -72.057 0.000 0.000 + 92.661 68.923 145.791-177.519 + 93.298 119.859 115.287 -76.784 + 121.831 -84.558 129.147-148.563 + 95.733 69.047 0.000 0.000 + 118.739 -74.377 126.837 -52.523 + 119.755-153.691 110.663-111.522 + 122.542-108.288 126.050-128.393 + 118.512-118.355 114.613-117.991 + 121.855 0.000 121.434 -81.067 + # 51 total E -8.56287E+01 rmsd from N 0.000 %NC 0.00 0 + 93.859 118.300 147.348 -12.513 + 91.365 85.428 127.762 -12.649 + 90.746 47.106 92.123 -90.460 + 90.347 45.006 146.207 -95.838 + 89.910 43.390 120.790-128.264 + 90.876 48.138 134.464 26.247 + 90.808 46.672 132.339-165.086 + 91.599 41.670 137.325-132.675 + 93.441-172.975 114.312 -86.792 + 122.607 169.162 0.000 0.000 + 122.480 -39.348 0.000 0.000 + 92.396 65.414 86.192 -85.946 + 93.291 146.348 113.167 -79.876 + 95.634 18.238 121.415-174.667 + 96.984 67.985 0.000 0.000 + 126.958 -66.939 118.104 -66.078 + 114.350-100.163 116.815-124.684 + 121.598-146.041 112.525-111.010 + 92.926 93.230 100.646-113.185 + 93.415 0.000 114.865-124.915 + # 52 total E -8.65174E+01 rmsd from N 0.000 %NC 0.00 0 + 93.900 124.957 147.002 -5.916 + 91.436 88.447 131.948 -17.374 + 90.078 51.169 97.786 -88.816 + 88.579 43.812 150.031 -99.961 + 89.395 49.071 125.030-129.582 + 89.213 47.594 137.698 101.247 + 89.958 49.560 143.020 -95.939 + 90.928 46.984 134.341-135.592 + 92.206-109.269 147.490 -22.877 + 95.051 135.338 0.000 0.000 + 120.200 -36.701 0.000 0.000 + 111.676 169.367 122.852-131.868 + 93.263 94.709 114.036 -76.933 + 94.364 25.755 114.171 -77.495 + 97.162 76.278 0.000 0.000 + 131.004 -87.811 139.410-108.542 + 119.319-112.135 107.419-109.445 + 118.431-142.134 116.654-119.081 + 93.421 74.535 135.556-160.930 + 93.306 0.000 113.134 -77.276 + # 53 total E -8.77801E+01 rmsd from N 0.000 %NC 0.00 0 + 93.962 125.956 143.932 -3.093 + 91.470 89.669 137.725 -21.808 + 90.395 48.395 123.443 106.945 + 89.334 46.217 147.419 -92.843 + 89.755 46.963 121.917-131.810 + 90.269 47.585 129.216 28.634 + 90.188 47.354 138.608-145.083 + 91.364 68.089 136.545-138.582 + 91.763 -83.307 138.051 -29.359 + 124.003 -88.551 0.000 0.000 + 122.207 -40.798 0.000 0.000 + 92.727 67.532 135.521-162.819 + 93.024 90.923 112.596 -76.291 + 133.746-106.586 118.814 -85.773 + 95.011 76.672 0.000 0.000 + 128.425 -60.976 152.802 -50.984 + 118.341-106.885 105.104-107.538 + 120.147-137.017 113.258-113.217 + 118.052-118.191 120.517-126.113 + 121.898 0.000 121.381 -81.144 + # 54 total E -8.92623E+01 rmsd from N 0.000 %NC 0.00 0 + 93.951 125.435 144.324 -3.931 + 91.303 86.274 127.499 -23.905 + 91.553 44.725 123.668 89.807 + 90.899 43.737 150.510 -94.628 + 90.644 45.199 118.454-119.991 + 91.945 50.452 134.914 32.307 + 90.851 37.634 141.006 -90.535 + 92.295 60.608 131.001-133.252 + 92.814 -75.784 129.292-134.326 + 126.275 -67.684 0.000 0.000 + 136.135 -32.298 0.000 0.000 + 109.056 -30.723 91.810 -81.332 + 90.635 93.776 129.769 141.157 + 91.587 2.122 103.739 -80.078 + 118.853 -12.339 0.000 0.000 + 129.513 -73.290 127.453 -59.131 + 121.190-147.808 110.216-110.297 + 121.370-108.808 112.771-113.212 + 118.295-118.580 116.856-120.932 + 121.884 0.000 121.496 -81.088 + # 55 total E -8.74631E+01 rmsd from N 0.000 %NC 0.00 0 + 118.924-139.556 148.050 -15.973 + 118.492-103.372 142.192 -37.411 + 90.843 58.941 130.290 114.539 + 89.871 40.922 147.841 -94.830 + 90.132 49.693 119.126-104.106 + 90.130 48.057 153.040 39.191 + 90.463 43.955 136.648-134.256 + 92.254 71.352 131.517-135.216 + 91.208 -69.186 136.993-118.786 + 109.085 -53.018 0.000 0.000 + 119.897 -59.711 0.000 0.000 + 93.286 75.733 139.810-167.221 + 92.563 112.135 113.505 -76.707 + 93.770 -71.753 129.572-156.988 + 96.957 83.585 0.000 0.000 + 131.291 -86.848 138.866 -46.710 + 120.886-110.693 114.157-116.972 + 119.732-139.985 115.205-116.848 + 93.355 67.760 99.593-101.396 + 93.320 0.000 112.748 -78.482 + # 56 total E -8.56772E+01 rmsd from N 0.000 %NC 0.00 0 + 93.930 122.928 144.618 -7.707 + 91.552 88.594 135.041 -18.649 + 90.445 47.756 126.419 115.802 + 90.130 44.508 147.422 -94.231 + 89.680 46.218 121.642-128.386 + 89.741 52.104 156.128 20.556 + 89.801 53.593 139.973-155.077 + 90.659 77.801 131.892-131.990 + 91.869 -87.907 139.366-125.689 + 140.281 -64.312 0.000 0.000 + 92.841 50.512 0.000 0.000 + 89.454 49.235 98.401 -99.884 + 89.108 65.023 106.329 -75.248 + 92.605 31.024 116.258 -77.294 + 96.027 78.372 0.000 0.000 + 134.668 -75.290 138.637 -96.489 + 119.936-103.002 118.255-125.001 + 118.228-138.500 111.537-111.627 + 93.310 73.198 103.777-117.865 + 93.305 0.000 112.978 -77.457 + # 57 total E -8.59217E+01 rmsd from N 0.000 %NC 0.00 0 + 93.909 117.115 141.613 -21.640 + 118.388-171.426 149.306 -7.179 + 106.504-170.845 110.387 -76.521 + 91.775 74.444 137.844-111.851 + 90.542 39.406 113.125-103.181 + 92.579 54.327 137.010 29.150 + 90.998 31.922 129.990-147.840 + 93.177 66.086 131.388-135.755 + 92.957 -79.345 135.808-108.736 + 133.130 -72.395 0.000 0.000 + 140.663 -18.885 0.000 0.000 + 108.361 -20.266 93.522 -84.710 + 91.898 99.208 112.105 -75.881 + 90.818 -12.275 105.198 -76.127 + 114.571 -31.284 0.000 0.000 + 130.257 -72.593 122.911 -70.251 + 118.656-137.591 111.697-114.493 + 117.571-166.011 130.563-139.563 + 94.204 26.693 92.692 -88.387 + 93.450 0.000 117.520 -80.096 + # 58 total E -8.76033E+01 rmsd from N 0.000 %NC 0.00 0 + 93.936 122.578 144.158 -8.036 + 91.520 89.425 134.339 -16.296 + 90.862 44.880 131.788 108.208 + 90.194 45.869 142.873 -89.743 + 89.637 43.302 122.576-131.694 + 90.143 54.721 138.609 4.771 + 90.365 41.262 144.453 165.762 + 91.983 73.558 130.114-134.434 + 92.298 -79.560 136.026-123.477 + 95.027 170.516 0.000 0.000 + 148.944 -39.675 0.000 0.000 + 90.141 53.113 131.732-160.765 + 90.364 50.792 111.315 -77.684 + 93.329-107.446 109.659 -78.673 + 96.263 141.811 0.000 0.000 + 124.697 -85.138 133.090 -57.497 + 118.086-110.216 116.769-122.837 + 118.118-141.731 113.383-115.422 + 93.321 67.050 103.062 -99.139 + 93.322 0.000 112.805 -78.575 + # 59 total E -8.85740E+01 rmsd from N 0.000 %NC 0.00 0 + 93.875 120.723 147.101 -10.507 + 91.294 84.888 125.206 -15.742 + 90.671 48.814 94.127 -89.824 + 90.014 43.168 150.474 -96.319 + 90.098 46.400 117.524-128.321 + 90.711 50.662 127.550 54.805 + 89.964 52.727 130.295-150.532 + 90.339 42.000 135.247-139.049 + 92.260 168.140 146.255 -21.563 + 96.550 101.361 0.000 0.000 + 137.689 -75.173 0.000 0.000 + 123.866 -69.720 107.697-103.742 + 89.843 80.866 124.972 158.406 + 92.091 16.067 111.318 -78.680 + 114.210 -25.670 0.000 0.000 + 128.296 -82.167 153.563 -26.365 + 119.585-111.754 109.290-110.272 + 116.073-141.021 132.881-144.771 + 93.220 71.217 139.008-164.152 + 93.309 0.000 113.597 -77.325 + # 60 total E -8.70486E+01 rmsd from N 0.000 %NC 0.00 0 + 93.830 90.633 145.041 -23.951 + 93.029 113.971 147.840 -31.225 + 133.739 -97.200 86.167 -97.563 + 91.218 61.800 140.599-104.781 + 90.310 42.514 113.158 -98.517 + 90.526 51.530 145.376 37.831 + 90.611 46.409 134.518 -51.417 + 91.772 82.073 136.760-138.151 + 91.724 -11.816 143.215-135.694 + 112.387 -88.160 0.000 0.000 + 113.360 -46.209 0.000 0.000 + 92.369 74.616 138.283-163.970 + 93.863 123.130 112.577 -76.338 + 111.445 -90.243 136.297-105.041 + 94.603 60.308 0.000 0.000 + 128.192 -88.320 103.107 -62.593 + 117.583-111.755 114.366-119.432 + 121.725-147.065 113.065-111.724 + 92.221 81.000 108.087-119.205 + 93.318 0.000 108.742 -80.553 + # 61 total E -8.81042E+01 rmsd from N 0.000 %NC 0.00 0 + 118.978 -91.046 108.795 -78.058 + 112.556-169.353 152.382 -16.728 + 93.048 70.666 133.688 113.193 + 89.864 41.796 151.435 -93.676 + 90.160 48.813 99.893 -65.212 + 90.589 49.319 156.137 43.216 + 90.512 44.109 135.053-138.334 + 92.269 69.143 131.874-135.545 + 91.459 -71.617 137.938-112.884 + 109.603 -50.655 0.000 0.000 + 120.266 -58.859 0.000 0.000 + 93.409 76.478 139.480-167.021 + 93.216 111.409 113.308 -76.562 + 94.301 -74.263 136.014-160.103 + 97.044 86.161 0.000 0.000 + 131.135 -83.746 139.321 -53.169 + 120.882-112.449 108.832-110.201 + 119.095-140.972 117.258-120.347 + 93.375 66.581 101.258-100.960 + 93.322 0.000 112.971 -78.427 + # 62 total E -8.76238E+01 rmsd from N 0.000 %NC 0.00 0 + 93.794 50.320 146.391 -26.899 + 92.721 157.165 150.941 -28.930 + 90.944 80.371 138.738 46.101 + 90.737 53.912 142.124-100.195 + 89.822 46.927 123.954 -66.329 + 91.177 50.731 131.607 38.523 + 90.598 38.617 143.860-116.697 + 92.324 61.494 129.952-134.083 + 92.191 -74.858 133.600-123.936 + 121.223 -66.901 0.000 0.000 + 131.720 -38.714 0.000 0.000 + 106.326 -29.198 93.469 -84.752 + 91.446 98.286 127.745 141.517 + 91.870 6.306 106.237 -79.245 + 120.760 -14.812 0.000 0.000 + 123.785 -81.151 97.009 -55.850 + 116.474-107.187 118.804-122.221 + 118.298-136.853 134.446-144.069 + 93.169 65.858 97.309 -97.733 + 93.408 0.000 127.130-133.783 + # 63 total E -8.86298E+01 rmsd from N 0.000 %NC 0.00 0 + 93.886 120.449 146.628 -8.850 + 91.398 78.926 124.827 -28.069 + 92.682 37.153 88.798 -82.995 + 93.125 46.399 148.643 -94.475 + 91.137 37.833 115.413-119.483 + 92.231 54.338 123.185 -25.890 + 90.628 39.205 143.882-141.374 + 91.949 57.890 134.495-135.503 + 92.905 -88.514 135.299-114.034 + 123.869 -67.970 0.000 0.000 + 106.265 -15.259 0.000 0.000 + 93.042 94.655 133.328-155.791 + 93.617 96.406 112.605 -76.874 + 127.195-112.616 121.436 -82.354 + 95.254 68.867 0.000 0.000 + 127.784 -75.272 113.169-115.010 + 116.962-110.746 116.086-123.792 + 122.284-142.900 110.038-106.596 + 92.292 82.930 106.351-114.864 + 93.309 0.000 108.355 -80.346 + # 64 total E -8.73033E+01 rmsd from N 0.000 %NC 0.00 0 + 93.752 98.588 150.452 -23.234 + 93.007 131.554 147.996 -21.636 + 124.095 -93.788 91.460 -99.647 + 91.974 54.272 148.186-110.363 + 90.357 40.369 112.609 -33.789 + 90.977 51.892 152.153 111.324 + 90.314 47.571 136.228 -54.091 + 91.278 47.955 137.720-140.642 + 92.153-115.699 139.121-105.220 + 94.046 153.090 0.000 0.000 + 127.021 -35.145 0.000 0.000 + 92.260 73.728 86.440 -77.590 + 91.997 109.672 113.057 -76.078 + 93.031 20.051 123.273-155.710 + 96.720 79.685 0.000 0.000 + 127.773 -80.832 135.023 -84.864 + 119.385-113.050 111.787-116.191 + 120.133-144.909 113.942-114.941 + 93.472 46.981 93.202 -94.232 + 93.382 0.000 112.346 -81.485 + # 65 total E -8.94459E+01 rmsd from N 0.000 %NC 0.00 0 + 118.451 -86.608 111.213 -81.234 + 113.417-164.729 152.646 -15.987 + 93.296 65.527 132.030 119.409 + 90.143 46.425 148.156 -97.388 + 89.676 45.722 112.490 -67.796 + 90.576 51.165 160.495 -0.358 + 90.604 42.116 134.488-161.782 + 91.777 72.023 103.459 -98.988 + 90.831 -61.617 130.342-135.552 + 108.292 -69.239 0.000 0.000 + 100.686 -26.929 0.000 0.000 + 93.088 100.642 137.669-163.605 + 93.422 107.614 115.625 -78.721 + 124.432 -89.870 130.103-157.679 + 95.490 74.243 0.000 0.000 + 125.268 -76.865 129.222 -81.643 + 119.340-112.100 111.494-116.168 + 120.052-147.394 112.121-112.917 + 93.104 84.400 101.193-105.652 + 93.425 0.000 120.335-131.467 + # 66 total E -8.92612E+01 rmsd from N 0.000 %NC 0.00 0 + 93.877 110.803 145.967 -10.925 + 91.385 78.133 124.876 -28.198 + 92.403 37.056 147.139 113.656 + 92.157 53.460 139.393 -84.488 + 90.299 39.720 120.522-127.246 + 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65.875 131.483 111.483 + 89.763 43.047 149.337 -93.531 + 90.144 47.882 99.790 -75.365 + 90.701 48.858 154.717 41.712 + 90.580 43.726 136.181-136.994 + 92.273 69.116 132.731-135.636 + 91.459 -72.319 137.263-114.582 + 110.313 -49.141 0.000 0.000 + 122.282 -61.435 0.000 0.000 + 93.483 72.301 139.778-167.326 + 93.043 111.066 114.002 -76.657 + 94.174 -73.268 130.288-163.511 + 97.196 86.022 0.000 0.000 + 130.874 -84.058 140.334 -50.862 + 121.012-112.558 109.027-110.527 + 118.981-141.260 117.343-120.434 + 93.361 67.069 101.994-102.203 + 93.321 0.000 112.963 -78.376 + # 70 total E -8.64371E+01 rmsd from N 0.000 %NC 0.00 0 + 118.702 -79.456 108.949 -74.667 + 119.304-169.553 162.437-140.192 + 90.702 80.590 124.564 -34.503 + 90.846 49.513 123.343 -91.248 + 89.842 46.675 125.511-124.326 + 89.304 49.387 95.709-141.700 + 90.338 62.008 140.809 137.802 + 90.440 103.002 135.959-132.485 + 91.238 -15.045 141.865-131.404 + 99.535 -76.709 0.000 0.000 + 98.996 -23.173 0.000 0.000 + 93.350 105.481 139.870-166.519 + 94.680 107.439 118.699 -75.251 + 119.782 -95.422 146.131 -57.152 + 95.990 73.312 0.000 0.000 + 132.073 -70.383 142.930 -81.638 + 117.192-106.810 116.037-123.398 + 121.521-148.372 111.628-110.107 + 92.996 62.483 106.568-115.651 + 93.341 0.000 110.920 -80.738 + # 71 total E -8.61652E+01 rmsd from N 0.000 %NC 0.00 0 + 93.703 38.906 108.680 -81.367 + 92.922 171.791 140.564 -20.510 + 91.665 74.599 136.350 108.637 + 90.128 40.608 150.224 -96.377 + 89.960 50.861 106.000 -49.982 + 90.824 47.380 122.243 53.379 + 90.249 51.344 132.769-138.178 + 90.572 48.925 134.400-139.693 + 92.394 166.184 146.051 -23.366 + 95.023 77.137 0.000 0.000 + 127.058 -53.768 0.000 0.000 + 105.260 167.590 129.840-145.412 + 94.442 175.783 113.562 -82.365 + 94.345 38.683 118.558-176.361 + 95.532 58.611 0.000 0.000 + 112.672 -80.529 126.459 -45.158 + 107.390-164.206 96.062 -90.015 + 135.476-170.690 119.572-111.327 + 92.943 63.758 101.782-108.992 + 93.338 0.000 110.719 -80.753 + # 72 total E -8.51204E+01 rmsd from N 0.000 %NC 0.00 0 + 93.699 14.292 107.239 -82.238 + 92.348 145.768 135.195 -37.780 + 91.398 67.706 118.432 119.882 + 91.265 36.982 154.689-101.337 + 90.247 53.192 121.727 11.032 + 90.582 62.118 112.300 34.078 + 90.322 39.617 138.755-143.328 + 92.917 82.557 133.511-136.828 + 93.176 -63.117 148.491 -16.556 + 117.893 -20.791 0.000 0.000 + 117.447 -52.114 0.000 0.000 + 98.307 -39.235 93.894 -94.080 + 91.169 109.043 141.457 -6.287 + 94.871 23.048 115.291 -80.901 + 96.823 59.585 0.000 0.000 + 129.591-104.676 124.003 -39.865 + 116.788-107.384 121.580-128.554 + 118.738-137.239 111.165-111.451 + 118.898-117.833 117.933-119.372 + 121.814 0.000 121.289 -81.067 + # 73 total E -8.79699E+01 rmsd from N 0.000 %NC 0.00 0 + 93.853 105.247 146.978 -11.569 + 91.467 77.074 140.893 -31.701 + 90.701 47.205 120.869 114.496 + 89.844 46.277 145.151 -91.698 + 89.969 44.453 119.264-124.869 + 90.448 49.197 153.259 29.119 + 90.488 43.845 137.987-159.502 + 91.885 69.896 135.181-134.218 + 90.861 -65.136 135.938-119.839 + 110.558 -70.211 0.000 0.000 + 112.577 -55.874 0.000 0.000 + 92.220 76.959 141.984-172.835 + 92.508 103.301 112.831 -76.367 + 126.048 -81.264 119.044 -84.880 + 94.945 77.793 0.000 0.000 + 126.640 -61.921 149.018 -69.938 + 115.961-148.213 84.664 -94.688 + 118.782-112.504 112.861-114.395 + 116.841-118.506 131.019-140.851 + 121.745 0.000 121.611 -80.753 + # 74 total E -8.95467E+01 rmsd from N 0.000 %NC 0.00 0 + 93.983 125.100 142.453 -4.003 + 91.476 90.106 137.567 -15.388 + 90.363 47.866 127.482 112.926 + 89.374 43.930 148.026 -91.369 + 89.539 47.824 123.089-132.362 + 89.411 51.875 157.945 37.201 + 90.170 42.356 139.945-150.982 + 92.183 73.678 129.529-134.698 + 91.057 -60.147 136.094-131.461 + 105.793 -65.564 0.000 0.000 + 102.434 -35.888 0.000 0.000 + 92.659 99.004 138.351-166.948 + 93.441 107.682 111.016 -78.808 + 95.542 -83.476 128.116 179.076 + 96.668 89.871 0.000 0.000 + 130.164 -85.570 134.137 -45.349 + 120.308-109.265 117.789-121.834 + 120.037-140.575 112.637-113.017 + 93.269 67.930 99.528-104.529 + 93.325 0.000 112.335 -78.851 + # 75 total E -8.69947E+01 rmsd from N 0.000 %NC 0.00 0 + 93.986 127.304 143.097 -0.301 + 91.370 88.651 131.882 -22.971 + 90.690 46.980 123.666 106.521 + 89.915 43.821 148.684 -89.637 + 90.259 47.448 119.471-126.413 + 90.219 47.988 144.307 47.312 + 90.318 47.235 139.947-132.960 + 91.351 46.769 135.981-134.765 + 92.577 -94.683 141.658-128.511 + 123.487 -88.673 0.000 0.000 + 124.207 -41.705 0.000 0.000 + 91.235 68.879 131.533-157.839 + 91.654 58.763 111.850 -76.324 + 93.011-130.953 110.177 -78.617 + 96.364 143.049 0.000 0.000 + 119.047 -86.464 134.838 -32.910 + 101.024-173.095 102.533 -93.964 + 128.714-148.307 120.637-120.545 + 92.314 85.596 100.564 -98.373 + 93.315 0.000 107.455 -81.043 + # 76 total E -8.73136E+01 rmsd from N 0.000 %NC 0.00 0 + 94.011 126.082 141.195 -2.078 + 91.448 90.885 138.434 -12.667 + 90.124 49.939 125.724 114.160 + 89.587 41.374 151.275 -95.633 + 89.627 50.202 122.717-131.286 + 90.035 55.985 127.577 24.965 + 89.711 38.765 140.010-138.786 + 91.813 65.631 124.471-134.853 + 91.565 -65.865 135.009-123.891 + 115.062 -61.162 0.000 0.000 + 129.582 -58.196 0.000 0.000 + 103.278 -16.250 137.255-158.979 + 91.901 101.125 120.003 121.813 + 92.986 -21.615 118.367 -74.030 + 100.129 66.412 0.000 0.000 + 146.414 -81.725 144.890 49.181 + 117.368-119.596 81.783 -86.897 + 117.007-164.973 117.618-120.922 + 93.742 67.916 133.435-158.720 + 93.391 0.000 132.965-108.524 + # 77 total E -8.96682E+01 rmsd from N 0.000 %NC 0.00 0 + 93.923 124.513 145.590 -5.652 + 91.266 85.700 127.893 -18.619 + 91.386 43.725 98.965 -90.017 + 90.393 46.220 150.703 -98.341 + 90.410 42.771 120.711-124.449 + 92.123 49.673 128.839 32.104 + 91.253 36.733 131.967-144.957 + 92.830 74.447 133.442-131.454 + 93.784 -85.835 131.211-140.629 + 131.680 -64.573 0.000 0.000 + 140.909 -27.847 0.000 0.000 + 105.928 -35.502 96.299 -86.656 + 91.327 96.921 117.406 144.651 + 92.440 -5.318 106.995 -79.866 + 117.760 -13.064 0.000 0.000 + 129.907 -66.377 143.770 -53.291 + 119.364-111.257 102.754-102.209 + 117.717-139.914 121.581-127.079 + 93.677 72.966 128.689-151.643 + 93.307 0.000 112.930 -77.616 + # 78 total E -8.67435E+01 rmsd from N 0.000 %NC 0.00 0 + 93.904 117.156 144.765 -11.279 + 91.625 84.136 139.814 -18.133 + 92.027 38.849 170.503 15.706 + 91.048 48.929 141.659 -91.996 + 90.010 41.555 115.906-129.818 + 90.594 50.689 146.193 14.569 + 90.676 42.341 134.711 175.564 + 92.005 73.177 135.602-132.965 + 91.870 -98.103 136.267-120.054 + 94.670 118.318 0.000 0.000 + 132.488 -33.201 0.000 0.000 + 116.497-169.602 118.230-123.179 + 94.495 116.826 115.357 -77.581 + 123.168 -95.347 114.119 -81.404 + 95.505 82.111 0.000 0.000 + 128.948 -80.918 88.989 -64.080 + 117.105-105.956 117.204-122.622 + 118.413-129.358 118.931-120.488 + 93.787 86.078 98.795-106.910 + 93.243 0.000 110.495 -75.908 + # 79 total E -8.90304E+01 rmsd from N 0.000 %NC 0.00 0 + 93.883 132.354 150.401 -8.586 + 116.233-119.916 145.851 -26.743 + 92.320 62.135 129.996 118.093 + 90.061 47.398 145.992 -97.367 + 89.637 44.361 110.292 -81.244 + 90.651 51.247 160.225 0.638 + 90.661 42.626 135.971-164.668 + 91.689 72.114 103.259 -98.289 + 90.746 -61.922 129.822-136.063 + 108.239 -69.007 0.000 0.000 + 100.719 -27.220 0.000 0.000 + 93.009 100.122 137.789-163.808 + 93.343 106.636 115.296 -78.652 + 124.907 -89.934 129.668-154.644 + 95.314 75.201 0.000 0.000 + 125.296 -77.095 131.515 -78.928 + 119.416-112.766 111.305-116.161 + 120.067-148.612 112.238-112.999 + 93.091 84.849 101.580-105.751 + 93.428 0.000 120.185-131.891 + # 80 total E -8.64853E+01 rmsd from N 0.000 %NC 0.00 0 + 93.805 101.453 147.349 -20.725 + 93.117 127.863 141.878 -22.689 + 124.077-101.345 95.636 -98.922 + 92.434 54.140 147.433-106.890 + 90.608 40.912 109.369 -38.377 + 91.494 50.900 146.327 107.579 + 90.511 44.404 144.863 -89.781 + 91.593 51.737 137.315-142.404 + 92.480-117.762 144.239 -30.427 + 94.081 119.881 0.000 0.000 + 93.993 53.718 0.000 0.000 + 92.454 133.474 124.520-145.468 + 92.156 103.784 114.615 -77.967 + 93.993 -93.283 110.477 -78.611 + 95.108 163.283 0.000 0.000 + 127.331 -89.921 149.508-101.255 + 118.327-111.775 115.304-121.760 + 119.939-144.071 111.889-111.613 + 93.496 63.889 100.711-108.136 + 93.409 0.000 127.287-134.084 + # 81 total E -8.87361E+01 rmsd from N 0.000 %NC 0.00 0 + 93.848 100.548 147.163 -12.223 + 91.410 73.907 144.502 -36.898 + 89.882 54.101 120.330 122.737 + 88.801 42.265 149.584 -96.555 + 89.456 49.973 119.104-115.261 + 90.388 60.881 113.533 31.753 + 90.359 35.360 142.331-146.335 + 93.047 80.850 131.400-132.209 + 93.349 -54.900 141.090-149.431 + 122.172 -23.953 0.000 0.000 + 117.795 -53.359 0.000 0.000 + 97.804 -36.049 96.627 -96.033 + 91.841 109.656 136.910 -14.979 + 94.706 20.121 128.691-124.645 + 96.943 66.287 0.000 0.000 + 126.945 -80.104 150.231 -4.335 + 115.099-114.890 84.878 -85.432 + 116.373-146.404 118.821-122.941 + 93.485 72.955 136.457-163.304 + 93.307 0.000 113.537 -77.194 + # 82 total E -9.16853E+01 rmsd from N 0.000 %NC 0.00 0 + 93.864 123.430 147.254 -7.819 + 91.406 84.902 128.871 -26.913 + 91.549 43.922 95.957 -85.611 + 90.708 44.250 147.889 -93.772 + 90.398 43.119 117.957-121.720 + 91.122 47.785 155.925 39.725 + 90.836 45.854 131.512-157.276 + 92.059 72.378 138.289-133.095 + 90.704 -67.325 136.961-120.637 + 107.935 -66.058 0.000 0.000 + 110.591 -53.099 0.000 0.000 + 92.619 81.771 140.058-168.844 + 93.055 108.785 112.727 -76.453 + 123.185 -89.750 117.927 -83.949 + 94.671 74.097 0.000 0.000 + 127.438 -71.425 135.310 -66.524 + 119.419-113.014 105.311-107.089 + 119.077-163.675 114.152-116.113 + 93.460 48.064 101.816-110.237 + 93.372 0.000 112.304 -80.756 + # 83 total E -8.63547E+01 rmsd from N 0.000 %NC 0.00 0 + 117.661-172.278 145.483 -17.562 + 117.422-109.532 147.802 -37.870 + 91.424 54.835 131.251 95.326 + 90.734 41.065 146.463 -93.711 + 90.684 48.493 123.279-123.297 + 91.537 47.839 135.352 33.978 + 91.010 39.258 141.560-113.380 + 92.484 58.346 130.740-131.577 + 93.084 -75.990 133.995-137.440 + 126.675 -66.774 0.000 0.000 + 136.321 -31.923 0.000 0.000 + 107.795 -31.697 91.133 -79.313 + 91.159 95.918 114.028 -75.219 + 92.697 7.201 103.025 -80.953 + 123.425 -10.085 0.000 0.000 + 121.999 -67.943 115.472 -61.262 + 118.810-138.273 108.461-108.357 + 126.297-169.905 120.354-121.909 + 93.331 56.991 93.801 -94.606 + 93.341 0.000 112.036 -80.045 + # 84 total E -8.61905E+01 rmsd from N 0.000 %NC 0.00 0 + 93.616 101.662 156.536 -31.302 + 93.312 122.475 139.935 -45.265 + 131.000 -99.309 90.608 -99.108 + 92.515 56.832 147.644-107.620 + 91.087 37.216 108.381 -87.401 + 91.665 57.036 152.191 96.879 + 90.485 39.433 145.596-127.063 + 92.391 66.339 133.360-136.751 + 91.105 -67.920 139.108-137.737 + 109.875 -57.251 0.000 0.000 + 107.120 -76.133 0.000 0.000 + 92.323 65.995 134.230-161.612 + 94.257 136.050 113.876 -76.522 + 124.146 -96.252 118.985 -85.285 + 95.515 67.654 0.000 0.000 + 132.285 -86.762 109.894 -56.094 + 117.905-102.096 124.861-133.071 + 118.444-142.119 111.477-111.550 + 93.210 54.504 99.937-112.153 + 93.354 0.000 112.660 -80.173 + # 85 total E -8.50603E+01 rmsd from N 0.000 %NC 0.00 0 + 93.968 125.594 143.455 -3.532 + 91.492 89.323 136.101 -19.947 + 90.901 48.127 127.126 100.208 + 89.925 43.883 147.624 -91.592 + 89.801 46.994 119.975-127.025 + 90.203 57.298 117.380 25.898 + 89.748 39.488 148.859-145.027 + 91.583 66.580 125.757-135.729 + 92.052 -57.267 138.586-122.515 + 122.784 -61.256 0.000 0.000 + 115.683 -16.205 0.000 0.000 + 104.750 -39.217 92.693 -83.721 + 94.854 -22.779 109.166 -73.491 + 108.888 -60.634 115.307 -77.409 + 95.097 75.573 0.000 0.000 + 125.714 -81.720 88.940 -63.999 + 116.963-109.317 114.480-118.190 + 117.341-140.547 131.942-141.074 + 93.415 67.681 102.479-101.746 + 93.317 0.000 113.409 -77.894 + # 86 total E -8.70558E+01 rmsd from N 0.000 %NC 0.00 0 + 93.787 107.358 150.136 -17.056 + 92.796 131.512 127.596 -16.850 + 128.289-105.476 95.598 -93.176 + 91.425 70.219 143.841-116.712 + 90.182 43.074 122.593-100.440 + 90.550 57.379 114.052 27.986 + 90.570 35.281 142.792-139.294 + 92.751 73.070 127.684-138.745 + 93.547 -49.098 140.768-124.868 + 131.151-144.166 0.000 0.000 + 92.015 44.839 0.000 0.000 + 91.783 64.328 97.034 -96.330 + 92.375 -47.307 131.493-115.478 + 118.840-166.690 122.516 -77.369 + 128.494 178.343 0.000 0.000 + 128.581 -79.796 106.118-122.235 + 117.935-107.577 120.146-128.314 + 120.789-143.051 110.035-108.101 + 93.310 56.973 98.247-109.663 + 93.345 0.000 113.061 -79.505 + # 87 total E -8.52453E+01 rmsd from N 0.000 %NC 0.00 0 + 93.980 128.500 143.142 1.943 + 91.373 87.961 136.765 -26.066 + 91.366 44.846 119.851 102.325 + 90.842 43.514 149.763 -93.019 + 90.368 46.923 117.174-123.284 + 90.877 52.393 126.034 35.862 + 89.830 46.745 143.375-126.489 + 90.232 53.338 131.612-140.058 + 92.494 176.334 139.936 -33.894 + 94.510 86.664 0.000 0.000 + 120.085 -26.834 0.000 0.000 + 113.633-142.986 133.532-147.091 + 133.910-131.273 127.060 -79.453 + 123.326 -33.619 115.825 -81.236 + 95.800 80.863 0.000 0.000 + 121.625 -64.218 162.100 -8.974 + 118.457-116.512 109.963-114.999 + 125.463-171.746 112.278-109.404 + 92.847 37.906 110.733-123.790 + 93.407 0.000 111.358 -82.426 + # 88 total E -8.54087E+01 rmsd from N 0.000 %NC 0.00 0 + 93.884 122.528 147.050 -9.388 + 91.347 88.891 128.307 -17.610 + 91.145 46.862 97.496 -89.163 + 88.473 47.712 143.576 -95.925 + 88.861 50.382 122.665-133.290 + 89.545 49.175 117.047 47.079 + 90.481 42.256 145.396-157.635 + 92.528 66.282 130.385-134.875 + 92.040 -67.941 140.828-129.458 + 115.523 -53.841 0.000 0.000 + 116.709 -43.502 0.000 0.000 + 111.257 107.724 142.167-160.916 + 92.401 117.718 119.846 -74.825 + 93.294 -83.964 111.603 -83.331 + 94.245 40.895 0.000 0.000 + 128.921-104.180 97.408 -68.154 + 117.934-168.802 112.168-116.411 + 116.329-170.720 121.613-126.181 + 94.166 94.360 132.416-156.865 + 93.294 0.000 113.360 -75.264 + # 89 total E -8.74021E+01 rmsd from N 0.000 %NC 0.00 0 + 115.767 173.842 145.055 -29.501 + 114.211-176.462 141.754 -24.257 + 110.267-170.224 126.710-121.085 + 90.324 52.974 146.172-103.029 + 89.337 41.930 108.710 -91.592 + 91.029 55.996 152.415 -21.410 + 90.269 41.071 136.303-159.418 + 91.567 73.855 99.750 -98.709 + 90.728 -57.043 132.191-137.613 + 108.748 -70.688 0.000 0.000 + 101.192 -27.558 0.000 0.000 + 92.882 100.817 141.000-169.437 + 93.351 107.434 114.865 -78.551 + 121.877 -86.919 132.608-161.498 + 95.773 74.409 0.000 0.000 + 126.085 -78.832 132.096 -84.663 + 118.783-113.210 116.097-122.006 + 123.429-163.071 112.191-111.075 + 93.421 57.473 102.666 -99.899 + 93.343 0.000 112.051 -80.129 + # 90 total E -8.94220E+01 rmsd from N 0.000 %NC 0.00 0 + 93.848 100.230 146.614 -11.814 + 91.376 70.284 136.673 -43.638 + 91.467 45.454 123.944 121.595 + 90.381 46.892 143.263 -92.070 + 89.664 43.864 118.598-122.588 + 90.564 48.261 157.703 -1.705 + 90.832 43.744 136.641-171.664 + 92.051 72.620 135.915-130.269 + 90.727 -62.034 130.720-135.127 + 108.287 -68.959 0.000 0.000 + 101.245 -27.108 0.000 0.000 + 92.939 98.932 136.490-162.458 + 92.695 100.201 114.036 -78.240 + 126.034 -88.900 124.937-139.673 + 94.680 82.774 0.000 0.000 + 128.218 -74.987 133.862-130.091 + 120.680-115.209 110.245-116.013 + 119.686-135.811 110.049-109.697 + 118.029-118.975 121.679-126.275 + 121.958 0.000 121.759 -80.978 + # 91 total E -8.78143E+01 rmsd from N 0.000 %NC 0.00 0 + 94.054 128.532 139.867 2.761 + 91.228 87.440 135.093 -10.891 + 89.653 51.029 104.218 -79.110 + 90.492 40.801 168.028-126.008 + 90.220 42.860 130.379-117.433 + 90.962 49.268 132.284 93.465 + 90.620 68.966 137.159-130.020 + 89.992 92.851 130.051-117.995 + 92.198 -46.104 105.483 -86.339 + 96.966 82.992 0.000 0.000 + 132.347 -56.945 0.000 0.000 + 135.515 165.268 96.877 -81.578 + 128.174 170.155 120.406 -80.107 + 121.090 -76.604 116.354 -79.822 + 95.137 60.995 0.000 0.000 + 124.550 -90.965 79.565 -71.434 + 119.613-168.520 114.029-118.202 + 121.145-149.284 113.465-110.259 + 93.280 91.383 103.934-106.310 + 93.283 0.000 110.085 -77.327 + # 92 total E -9.07468E+01 rmsd from N 0.000 %NC 0.00 0 + 93.960 125.637 143.924 -3.456 + 91.292 86.492 128.322 -23.899 + 91.704 43.197 124.212 92.126 + 90.624 45.162 149.404 -93.260 + 90.424 45.636 116.613-126.294 + 91.711 49.411 135.087 29.299 + 91.024 38.033 142.715-104.155 + 92.638 59.476 132.154-132.878 + 93.071 -72.496 135.440-143.332 + 127.396 -67.314 0.000 0.000 + 137.021 -31.194 0.000 0.000 + 107.651 -32.655 91.040 -80.094 + 91.143 95.962 113.638 -75.329 + 92.677 7.978 103.916 -80.784 + 124.012 -10.709 0.000 0.000 + 123.543 -66.570 120.174 -61.551 + 118.810-150.111 109.829-110.767 + 129.397-167.220 117.846-116.775 + 93.362 61.846 91.506 -87.654 + 93.336 0.000 111.955 -79.818 + # 93 total E -8.55806E+01 rmsd from N 0.000 %NC 0.00 0 + 93.754 88.675 146.361 -33.056 + 121.825-107.325 141.533 -34.997 + 91.166 59.087 116.618 125.820 + 89.249 38.894 150.191 -98.540 + 89.569 61.763 112.458 -81.877 + 90.156 61.396 113.722 35.113 + 90.458 33.947 135.502-138.931 + 93.818 83.597 133.587-131.286 + 93.326 -56.095 149.159-138.273 + 119.579 -24.607 0.000 0.000 + 117.545 -49.271 0.000 0.000 + 101.676 -40.733 92.351 -92.130 + 91.820 106.675 131.517 -24.116 + 94.726 25.074 118.986 -81.754 + 97.136 63.512 0.000 0.000 + 126.181 -92.088 137.296 -27.910 + 114.648-110.541 92.718 -80.009 + 115.360-142.540 121.189-127.059 + 93.406 72.500 136.536-161.822 + 93.306 0.000 113.477 -77.228 + # 94 total E -8.57380E+01 rmsd from N 0.000 %NC 0.00 0 + 118.785-146.655 110.220 -80.669 + 116.206-178.683 143.879 -21.647 + 109.521-169.845 121.093-123.321 + 90.380 52.886 145.699-101.870 + 89.307 42.623 113.594 -94.331 + 91.071 55.759 148.415 -25.222 + 90.236 40.188 136.713-160.045 + 91.710 74.150 99.268 -97.107 + 90.883 -55.742 133.056-138.744 + 109.627 -71.636 0.000 0.000 + 101.814 -26.476 0.000 0.000 + 92.958 100.436 139.872-167.884 + 93.174 103.469 114.719 -78.521 + 123.539 -84.743 134.304-160.703 + 95.969 77.014 0.000 0.000 + 125.947 -79.937 138.965 -93.552 + 119.472-111.833 115.735-121.383 + 120.553-137.284 109.511-108.747 + 117.805-118.699 122.089-126.411 + 121.889 0.000 121.559 -81.063 + # 95 total E -8.80387E+01 rmsd from N 0.000 %NC 0.00 0 + 93.747 -3.393 99.231 -80.176 + 91.946 138.438 117.085 -58.969 + 92.667 54.176 129.857 109.999 + 90.889 40.069 141.629 -87.167 + 90.582 48.450 121.390-128.703 + 90.551 46.213 155.931 56.275 + 90.795 48.694 140.426 174.272 + 92.156 73.287 135.908-132.019 + 90.781 -69.443 136.046-126.348 + 103.167 -64.407 0.000 0.000 + 99.072 -32.193 0.000 0.000 + 92.730 102.993 134.132-159.465 + 95.727 121.378 112.898 -77.401 + 110.761 -90.377 119.323 -73.184 + 95.061 63.788 0.000 0.000 + 129.166 -85.619 102.860 -59.542 + 117.199-107.093 124.339-132.681 + 121.868-148.231 110.368-109.325 + 92.544 68.935 103.427-105.862 + 93.331 0.000 110.634 -80.326 + # 96 total E -8.53661E+01 rmsd from N 0.000 %NC 0.00 0 + 93.869 121.654 147.648 -10.276 + 91.440 87.085 129.047 -18.348 + 90.483 49.976 93.479 -85.413 + 89.582 41.751 148.654-101.245 + 89.738 47.004 122.203-123.013 + 89.720 50.262 131.544 94.542 + 89.512 59.615 144.692-117.829 + 89.494 32.917 134.578-134.553 + 91.974-123.389 142.817-121.103 + 94.899 128.503 0.000 0.000 + 95.151 38.565 0.000 0.000 + 90.601 62.591 112.896-105.527 + 90.241 132.351 128.487 170.187 + 94.044 -48.625 114.775-149.767 + 95.861 91.535 0.000 0.000 + 130.745 -79.493 94.194 -61.601 + 118.197-105.051 122.885-130.089 + 119.093-137.163 110.316-109.871 + 93.799 53.725 97.883-107.339 + 93.409 0.000 132.675-133.723 + # 97 total E -8.69387E+01 rmsd from N 0.000 %NC 0.00 0 + 119.595-113.700 106.667 -78.036 + 91.471 75.155 148.377-134.928 + 89.775 74.368 122.174 -35.979 + 89.376 54.864 133.627 -95.642 + 89.374 41.608 115.995-117.971 + 89.294 54.059 99.007-139.590 + 90.241 60.828 141.133 145.980 + 90.484 100.862 135.043-134.310 + 91.213 -14.886 143.410-128.846 + 100.137 -77.360 0.000 0.000 + 99.209 -22.862 0.000 0.000 + 93.356 105.750 140.480-167.139 + 94.629 107.601 118.657 -75.200 + 119.628 -94.674 148.516 -63.936 + 96.163 73.404 0.000 0.000 + 132.731 -70.281 146.172 -80.551 + 116.949-107.178 115.953-123.338 + 121.819-148.838 110.971-109.113 + 92.982 61.389 105.072-115.133 + 93.344 0.000 110.651 -81.087 + # 98 total E -8.82928E+01 rmsd from N 0.000 %NC 0.00 0 + 119.241-108.499 112.051 -81.267 + 119.067 176.440 151.941 -30.630 + 116.050 165.549 113.361 -66.214 + 90.203 73.206 126.311-112.338 + 89.532 50.386 104.293-106.469 + 89.828 54.685 123.791 37.657 + 90.296 38.383 144.325-178.554 + 92.187 65.214 128.505-132.715 + 92.120 -66.027 136.365-126.477 + 119.395 -55.773 0.000 0.000 + 119.320 -45.463 0.000 0.000 + 113.847 107.555 132.724-144.764 + 93.156 108.987 115.729 -76.336 + 130.726-102.498 114.367 -83.079 + 95.214 70.500 0.000 0.000 + 126.972 -84.264 113.502-106.874 + 115.890-114.742 87.956 -89.952 + 119.864-141.582 117.290-118.921 + 92.700 71.599 130.941-152.561 + 93.330 0.000 109.404 -81.067 + # 99 total E -8.65670E+01 rmsd from N 0.000 %NC 0.00 0 + 93.779 84.475 147.319 -27.088 + 92.869 118.047 147.111 -34.190 + 133.974 -95.160 86.129 -99.606 + 91.298 59.540 142.629-107.012 + 90.134 44.962 114.356 -86.883 + 90.449 51.982 152.130 32.053 + 90.817 65.444 131.817 -55.197 + 91.791 103.776 132.183-128.587 + 91.172 -25.239 146.147-133.249 + 101.037 -71.393 0.000 0.000 + 98.498 -21.635 0.000 0.000 + 93.339 103.061 133.737-156.501 + 93.559 108.546 119.947 -75.017 + 118.150 -97.515 116.360 -84.566 + 95.214 66.243 0.000 0.000 + 133.772 -86.283 104.140 -62.997 + 118.354-109.050 114.586-119.228 + 120.061-138.312 113.251-112.810 + 118.181-118.577 121.254-125.860 + 121.917 0.000 121.490 -81.157 + # 100 total E -8.69616E+01 rmsd from N 0.000 %NC 0.00 0 + 93.978 124.623 142.456 -4.757 + 91.470 90.933 135.246 -14.807 + 90.731 48.515 129.423 95.079 + 89.362 45.070 145.882 -91.126 + 89.536 48.034 121.662-133.400 + 90.020 51.617 123.907 27.010 + 89.814 42.150 146.828-145.886 + 91.613 65.158 129.886-135.845 + 91.584 -68.615 137.150-114.004 + 120.435 -94.145 0.000 0.000 + 123.514 -57.634 0.000 0.000 + 92.043 66.842 139.012-169.047 + 93.752 68.046 112.373 -76.268 + 93.937 -97.170 117.205 -75.720 + 95.195 137.968 0.000 0.000 + 129.168 -78.125 145.979 65.245 + 117.654-110.271 110.587-115.358 + 121.919-136.737 110.943-109.368 + 118.336-118.624 119.915-124.023 + 121.912 0.000 121.496 -81.142 + # 101 total E -9.01936E+01 rmsd from N 0.000 %NC 0.00 0 + 94.019 116.839 138.382 -7.312 + 91.484 79.833 147.020 -13.425 + 89.267 49.652 114.824 -64.879 + 89.567 43.139 168.586-161.641 + 89.607 46.397 134.326-109.186 + 89.710 56.905 112.099 23.715 + 90.099 37.622 143.448-129.142 + 92.026 69.584 126.839-141.083 + 93.138 -46.197 139.190-121.492 + 129.575-145.654 0.000 0.000 + 92.150 45.051 0.000 0.000 + 91.958 64.277 97.783 -96.715 + 92.620 -46.465 134.191-121.652 + 121.517-163.395 124.290 -77.671 + 128.884-177.841 0.000 0.000 + 129.265 -81.456 111.772-126.669 + 119.322-110.190 116.028-121.407 + 119.195-138.755 109.847-109.047 + 93.143 80.301 104.542-115.082 + 93.297 0.000 111.231 -77.975 + # 102 total E -8.77829E+01 rmsd from N 0.000 %NC 0.00 0 + 93.857 98.231 146.502 -12.605 + 91.398 70.284 138.021 -41.545 + 90.713 50.436 124.086 112.388 + 89.411 45.665 145.885 -91.366 + 89.785 45.573 117.962-122.157 + 90.612 49.689 151.295 30.626 + 90.438 41.501 138.187-153.272 + 92.095 67.805 132.881-134.683 + 91.292 -67.386 135.813-114.580 + 112.938 -62.507 0.000 0.000 + 119.009 -52.277 0.000 0.000 + 92.932 74.120 140.158-168.902 + 93.648 96.080 112.973 -76.243 + 115.954 -69.710 154.033 -91.798 + 97.087 80.782 0.000 0.000 + 131.264 -85.747 156.738-132.324 + 121.553-113.932 109.586-112.705 + 119.308-135.896 113.509-114.657 + 118.428-118.607 119.305-121.408 + 121.881 0.000 121.519 -81.069 + # 103 total E -8.68149E+01 rmsd from N 0.000 %NC 0.00 0 + 93.907 124.104 145.947 -6.109 + 91.331 84.793 126.996 -23.432 + 91.632 46.109 97.260 -87.381 + 90.468 41.853 152.083 -96.774 + 90.154 48.884 118.365-116.837 + 91.573 50.893 120.120 54.390 + 90.797 42.917 128.583-146.915 + 92.906 66.277 130.523-134.604 + 94.668-102.526 144.471-137.655 + 126.361 -70.624 0.000 0.000 + 107.241 -25.948 0.000 0.000 + 92.880 97.645 96.588 -84.964 + 94.378 98.878 110.379 -77.591 + 124.694-137.235 118.093 -75.964 + 94.098 65.029 0.000 0.000 + 121.092 -71.062 99.081 -71.320 + 109.438-156.895 94.778 -88.920 + 123.309-109.415 117.271-115.813 + 118.255-118.417 117.047-122.095 + 121.869 0.000 121.455 -81.081 + # 104 total E -8.93024E+01 rmsd from N 0.000 %NC 0.00 0 + 93.911 123.547 145.931 -7.268 + 91.273 86.405 128.877 -14.751 + 90.983 44.265 97.452 -89.416 + 90.270 46.919 148.934 -94.684 + 90.301 42.430 123.254-128.568 + 91.385 48.146 119.589 83.912 + 91.542 40.397 129.853-155.172 + 93.880 68.008 137.615-133.835 + 91.594 -61.266 141.275-170.428 + 109.621 -64.212 0.000 0.000 + 91.344 -45.387 0.000 0.000 + 92.910 154.225 132.196-157.982 + 93.765 95.542 119.337 -79.970 + 130.986 -98.086 117.124 -81.057 + 94.968 84.257 0.000 0.000 + 128.233 -76.768 84.703 -68.264 + 116.533-106.707 120.638-128.667 + 120.447-143.245 108.763-107.252 + 92.989 82.322 100.672-110.021 + 93.426 0.000 119.966-133.193 + # 105 total E -8.69764E+01 rmsd from N 0.000 %NC 0.00 0 + 93.988 126.056 142.485 -2.481 + 91.378 93.065 135.731 -11.848 + 89.941 51.374 105.171 -86.334 + 89.778 43.272 150.523-102.135 + 89.832 45.237 124.519-134.640 + 90.169 57.531 129.179 28.454 + 89.882 37.254 133.889-158.489 + 91.903 62.534 126.871-134.858 + 91.936 -60.573 136.515-116.815 + 118.284 -60.747 0.000 0.000 + 121.098 -58.434 0.000 0.000 + 115.497 159.471 123.298-129.605 + 94.397 74.817 112.966 -81.733 + 94.199 -83.407 112.751 -78.433 + 92.963 154.408 0.000 0.000 + 138.369 -71.788 156.811 -95.378 + 115.747-105.441 111.107-118.731 + 119.352-135.432 109.905-108.691 + 93.687 78.807 124.483-145.410 + 93.295 0.000 111.582 -77.734 + # 106 total E -9.01534E+01 rmsd from N 0.000 %NC 0.00 0 + 93.961 125.058 143.654 -4.248 + 91.439 86.099 141.398 -22.148 + 91.372 42.049 122.303 119.622 + 90.175 45.830 149.897 -92.370 + 90.795 46.169 119.317-129.596 + 90.975 47.269 141.848 90.429 + 91.017 41.671 136.343-130.852 + 93.211 70.887 136.086-138.478 + 91.983 -74.143 148.476 -26.011 + 108.734 -45.076 0.000 0.000 + 114.485 -72.666 0.000 0.000 + 93.672 64.537 130.880-156.143 + 93.410 121.686 114.956 -76.946 + 118.927 -85.033 124.804-142.306 + 95.258 70.712 0.000 0.000 + 120.451 -80.694 126.530 -50.017 + 123.527-162.985 109.149-107.062 + 119.347-144.104 119.608-122.436 + 93.664 58.068 103.313-107.622 + 93.327 0.000 115.095 -77.411 + # 107 total E -8.83232E+01 rmsd from N 0.000 %NC 0.00 0 + 93.855 97.208 146.510 -13.030 + 91.375 71.192 140.632 -41.395 + 90.273 53.572 123.612 109.932 + 88.543 44.618 146.948 -92.339 + 89.267 49.866 116.490-122.424 + 89.932 56.755 121.571 33.993 + 89.879 39.443 146.043-139.586 + 92.150 66.945 125.896-135.248 + 92.041 -64.129 138.722-126.482 + 114.997 -62.479 0.000 0.000 + 122.302 -63.840 0.000 0.000 + 95.017 95.800 143.779-172.901 + 92.877 106.251 117.942 -76.682 + 119.491 -93.402 106.811 -76.400 + 94.432 81.317 0.000 0.000 + 131.224 -67.682 122.932 -88.972 + 115.269-144.723 87.858 -91.865 + 123.874-171.217 115.994-116.563 + 94.054 33.176 92.343 -89.967 + 93.406 0.000 113.298 -81.471 + # 108 total E -8.70223E+01 rmsd from N 0.000 %NC 0.00 0 + 93.849 101.230 147.133 -12.058 + 91.408 74.398 144.913 -36.097 + 89.878 53.611 119.258 123.165 + 88.826 41.957 149.612 -96.559 + 89.486 50.465 118.900-115.878 + 90.376 61.559 112.506 32.177 + 90.435 35.743 142.700-145.939 + 93.166 82.298 131.934-131.185 + 93.472 -54.848 141.247-152.874 + 121.551 -23.838 0.000 0.000 + 117.316 -52.038 0.000 0.000 + 100.060 -39.734 94.086 -94.034 + 91.680 106.886 133.916 -11.800 + 94.470 22.672 118.737 -81.767 + 96.693 64.524 0.000 0.000 + 125.269 -80.752 149.039 -8.493 + 115.175-118.001 84.771 -85.123 + 117.248-147.608 115.349-117.881 + 115.394-117.629 138.732-154.806 + 121.568 0.000 121.517 -80.465 + # 109 total E -8.76919E+01 rmsd from N 0.000 %NC 0.00 0 + 93.877 117.766 146.417 -11.636 + 91.575 84.012 136.782 -23.788 + 91.382 42.597 126.759 116.712 + 90.546 46.005 143.374 -91.141 + 89.701 44.462 119.005-126.033 + 90.073 49.722 150.970 0.798 + 90.168 43.724 139.587-178.477 + 91.428 69.055 134.138-133.056 + 90.764 -65.267 133.310-119.888 + 114.022 -69.304 0.000 0.000 + 110.601 -31.851 0.000 0.000 + 115.189-146.286 141.887-157.429 + 119.433-129.367 120.609 -75.709 + 94.020 38.026 116.052 -75.719 + 95.619 58.892 0.000 0.000 + 110.034 -70.770 147.302 -27.705 + 117.091-155.636 105.656-106.024 + 119.936-173.521 132.878-142.602 + 93.267 45.862 97.837 -95.243 + 93.371 0.000 109.986 -82.730 + # 110 total E -8.64578E+01 rmsd from N 0.000 %NC 0.00 0 + 94.075 98.533 133.867 -8.723 + 92.324 87.079 151.602 -25.167 + 109.947 -41.935 88.505 -91.278 + 91.119 73.678 134.166 -90.729 + 89.519 41.229 134.609-145.577 + 89.053 56.281 126.323 -21.794 + 89.602 41.335 153.369-168.301 + 91.579 79.305 136.297-136.800 + 90.654 -47.196 140.806-129.014 + 110.144 -76.857 0.000 0.000 + 102.704 -27.546 0.000 0.000 + 92.719 99.771 133.565-158.580 + 93.932 110.023 112.753 -78.270 + 110.596 -93.744 132.092-161.685 + 95.584 67.572 0.000 0.000 + 131.548 -85.925 106.563-118.992 + 117.504-109.126 123.796-133.450 + 123.556-148.156 105.662-101.914 + 92.300 75.774 102.135-110.781 + 93.332 0.000 107.758 -82.160 + # 111 total E -8.64395E+01 rmsd from N 0.000 %NC 0.00 0 + 93.847 77.766 146.235 -16.718 + 93.009 170.469 138.875 -40.684 + 107.549 176.777 115.952 -70.530 + 91.064 74.497 134.225-111.153 + 90.177 43.235 112.920-107.128 + 91.702 52.351 135.460 28.766 + 90.833 33.974 132.869-148.746 + 92.906 64.869 130.367-134.821 + 92.740 -80.825 135.184-107.897 + 133.248 -72.008 0.000 0.000 + 140.350 -15.848 0.000 0.000 + 108.565 -18.145 94.271 -84.229 + 92.410 100.116 112.300 -76.250 + 91.210 -13.077 105.670 -76.531 + 115.805 -30.390 0.000 0.000 + 125.773 -76.552 121.853 -76.042 + 118.575-120.542 110.661-113.509 + 116.772-153.087 134.083-147.628 + 93.470 56.973 99.592 -84.255 + 93.342 0.000 112.558 -79.741 + # 112 total E -8.64903E+01 rmsd from N 0.000 %NC 0.00 0 + 93.732 4.568 107.463 -80.252 + 119.648 171.279 153.140 -14.378 + 93.125 78.820 132.866 107.603 + 91.161 39.974 152.575 -96.543 + 90.009 50.118 125.927 -71.826 + 90.540 55.216 123.702 38.884 + 90.119 42.149 138.865-144.874 + 91.927 62.599 127.139-135.388 + 92.052 -68.720 139.769-123.194 + 116.707 -57.169 0.000 0.000 + 116.948 -56.109 0.000 0.000 + 108.751 104.665 142.002-162.819 + 92.872 109.378 116.197 -76.372 + 132.557 -95.850 113.962 -81.557 + 94.328 77.614 0.000 0.000 + 124.605 -65.322 126.362 -60.715 + 115.562-142.154 92.514 -90.275 + 120.741-168.039 116.633-118.332 + 93.658 56.238 99.243-103.889 + 93.340 0.000 112.992 -79.293 + # 113 total E -8.65039E+01 rmsd from N 0.000 %NC 0.00 0 + 93.843 115.732 147.940 -13.613 + 91.377 84.261 126.119 -16.291 + 91.378 42.346 90.143 -89.793 + 90.124 49.460 140.667 -94.964 + 89.407 43.299 121.457-130.652 + 90.057 48.698 146.697 5.880 + 90.511 43.652 135.625 161.368 + 91.738 70.730 135.884-133.223 + 91.039 -96.785 133.872-117.766 + 94.537 138.382 0.000 0.000 + 134.827 -53.589 0.000 0.000 + 118.260-173.693 112.677-114.940 + 93.289 100.570 115.249 -77.508 + 93.535 -39.283 113.042 -77.573 + 120.829 -30.269 0.000 0.000 + 126.087 -78.319 116.442 81.293 + 122.333-158.399 118.020-120.323 + 98.960-172.295 98.088 -92.145 + 93.875 72.223 130.383-157.250 + 93.311 0.000 113.842 -77.214 + # 114 total E -8.71956E+01 rmsd from N 0.000 %NC 0.00 0 + 94.017 127.438 141.487 0.418 + 90.949 84.906 131.377 0.270 + 89.777 52.755 102.583 -86.795 + 90.148 43.281 169.154-144.393 + 89.949 44.425 133.156-125.983 + 90.051 55.833 130.545 33.914 + 90.579 45.181 136.693-139.544 + 91.337 84.419 131.115-141.442 + 92.084 -3.442 144.917-148.554 + 107.888 -80.079 0.000 0.000 + 94.717 -32.182 0.000 0.000 + 95.367 149.308 139.382-166.255 + 93.752 84.049 112.708 -77.333 + 143.019-106.205 123.619 -87.971 + 95.651 84.427 0.000 0.000 + 128.056 -69.182 123.233-113.733 + 117.655-110.040 113.047-118.948 + 121.723-143.352 110.929-109.653 + 92.999 87.006 99.446-104.356 + 93.418 0.000 119.124-127.497 + # 115 total E -8.96174E+01 rmsd from N 0.000 %NC 0.00 0 + 93.705 36.891 108.606 -81.031 + 91.733 85.446 130.728 -21.927 + 91.482 44.380 125.223 96.267 + 90.525 44.779 149.437 -93.230 + 90.431 45.459 117.666-125.448 + 91.597 49.285 134.667 30.361 + 90.987 38.576 142.959-110.742 + 92.503 58.515 132.582-132.825 + 92.942 -72.508 135.790-142.152 + 127.066 -68.324 0.000 0.000 + 136.244 -32.377 0.000 0.000 + 107.475 -31.269 90.961 -80.369 + 91.383 96.135 112.939 -74.406 + 92.312 9.827 104.398 -80.312 + 124.597 -8.750 0.000 0.000 + 127.355 -66.337 117.086 -66.170 + 109.355-164.353 96.081 -90.606 + 129.688-142.283 111.469-108.645 + 92.375 86.017 95.524 -98.647 + 93.303 0.000 106.835 -80.988 + # 116 total E -8.76787E+01 rmsd from N 0.000 %NC 0.00 0 + 93.866 120.648 147.427 -11.483 + 91.342 89.492 129.115 -12.673 + 90.594 47.958 95.257 -88.179 + 88.962 46.729 141.831 -93.337 + 89.317 48.832 122.923-136.153 + 89.388 48.012 145.680 44.977 + 90.510 49.518 137.033 -48.272 + 91.631 82.093 134.949-137.474 + 91.885 -15.813 142.819-136.338 + 114.039 -87.051 0.000 0.000 + 114.439 -44.868 0.000 0.000 + 92.524 75.681 137.632-163.334 + 93.860 122.001 112.639 -76.362 + 116.191 -92.233 119.657 -82.221 + 94.958 59.198 0.000 0.000 + 125.219 -89.520 101.138 -61.302 + 117.129-111.155 119.126-126.159 + 120.943-146.289 111.611-110.094 + 92.396 77.900 105.841-114.756 + 93.323 0.000 108.900 -80.834 + # 117 total E -8.81975E+01 rmsd from N 0.000 %NC 0.00 0 + 93.890 120.766 146.234 -10.525 + 91.287 87.135 128.321 -5.748 + 90.401 51.205 95.460 -92.167 + 89.864 45.636 150.423 -98.363 + 89.993 44.247 123.568-134.019 + 90.925 50.815 128.770 37.975 + 89.959 43.550 128.499-154.612 + 90.602 57.671 133.405-135.137 + 91.639-179.351 134.939-118.968 + 95.347 103.875 0.000 0.000 + 131.761 -56.992 0.000 0.000 + 114.300 168.256 131.067-141.968 + 116.819-179.109 115.437 -85.153 + 96.327 30.265 116.219 -76.528 + 97.179 60.481 0.000 0.000 + 123.113 -79.883 128.861 -70.499 + 108.505-154.078 97.561 -93.985 + 135.042-172.589 112.268-103.383 + 92.779 89.095 100.439-113.619 + 93.429 0.000 123.249-126.927 + # 118 total E -8.72736E+01 rmsd from N 0.000 %NC 0.00 0 + 93.908 132.280 149.109 -7.476 + 115.210-119.749 146.574 -28.104 + 92.363 63.609 134.291 115.829 + 90.121 48.034 145.131 -96.779 + 89.605 44.508 112.394 -86.468 + 90.722 51.060 158.259 -5.976 + 90.679 42.054 134.675-167.647 + 91.809 72.783 102.653 -97.307 + 90.827 -61.098 130.067-136.786 + 108.416 -69.331 0.000 0.000 + 101.164 -26.891 0.000 0.000 + 93.010 99.766 137.745-164.515 + 93.078 104.526 114.901 -78.557 + 125.849 -88.892 130.063-151.982 + 95.349 77.530 0.000 0.000 + 125.780 -77.112 136.542 -82.303 + 120.292-112.802 112.520-117.703 + 119.488-134.280 110.246-110.377 + 118.465-118.658 118.289-121.715 + 121.887 0.000 121.531 -81.075 + # 119 total E -8.60117E+01 rmsd from N 0.000 %NC 0.00 0 + 93.928 125.097 145.557 -4.639 + 91.385 84.442 129.501 -26.242 + 91.660 43.752 122.940 91.834 + 90.928 43.539 150.737 -94.340 + 90.652 45.025 117.497-119.713 + 91.954 49.851 134.297 32.664 + 90.907 37.970 140.971 -91.167 + 92.280 60.606 131.860-133.334 + 92.748 -75.604 129.778-134.016 + 126.364 -66.866 0.000 0.000 + 136.154 -31.911 0.000 0.000 + 108.946 -31.545 92.296 -83.279 + 90.719 93.747 128.128 144.822 + 91.794 3.236 104.291 -80.061 + 119.845 -10.585 0.000 0.000 + 127.113 -78.819 127.295 -56.444 + 125.794-166.918 112.582-112.009 + 93.530 121.254 100.203-106.615 + 93.796 96.510 96.207-100.016 + 93.368 0.000 113.330 -77.900 + # 120 total E -8.51525E+01 rmsd from N 0.000 %NC 0.00 0 + 93.954 122.894 143.040 -7.236 + 91.196 89.762 129.379 1.011 + 91.014 53.162 131.595 88.086 + 90.054 45.307 149.448 -94.069 + 89.922 47.803 125.599-140.952 + 90.776 52.451 131.562 25.165 + 90.166 39.618 143.793-121.965 + 91.818 63.633 128.374-134.329 + 91.832 -73.797 129.172-127.904 + 120.396 -73.470 0.000 0.000 + 135.768 -31.566 0.000 0.000 + 106.419 -22.820 91.529 -78.433 + 91.281 117.285 115.528 -75.406 + 92.921 -41.711 106.725 -76.062 + 97.819 63.186 0.000 0.000 + 137.711 -88.269 145.286 46.568 + 122.911-137.744 99.682 -93.581 + 107.802-166.832 124.610-138.481 + 116.439-118.701 129.043-135.601 + 121.794 0.000 121.598 -80.856 + # 121 total E -8.51564E+01 rmsd from N 0.000 %NC 0.00 0 + 93.981 128.274 143.825 1.417 + 91.873 90.487 140.683 -30.425 + 90.804 103.311 98.975 -69.753 + 90.727 67.601 136.259-101.881 + 90.068 36.358 98.228 -93.994 + 90.855 60.030 144.999 46.623 + 91.001 42.805 141.334 178.337 + 91.986 82.335 132.893-137.598 + 92.343 -15.821 144.420-150.609 + 116.474 -75.070 0.000 0.000 + 95.548 -28.670 0.000 0.000 + 94.956 150.187 135.594-159.426 + 94.607 83.268 112.122 -76.537 + 140.934-108.208 124.093 -82.529 + 95.313 84.335 0.000 0.000 + 127.367 -78.108 122.720 -94.838 + 118.519-111.267 115.481-122.069 + 123.093-154.083 112.339-109.573 + 92.455 72.165 105.057-114.418 + 93.336 0.000 108.719 -81.802 + # 122 total E -8.82404E+01 rmsd from N 0.000 %NC 0.00 0 + 94.005 118.272 139.397 -7.416 + 91.495 80.615 146.533 -14.100 + 89.324 50.345 115.656 -65.546 + 89.529 42.517 167.251-153.751 + 89.619 46.865 133.736-109.058 + 89.660 57.205 112.271 23.024 + 90.059 37.667 143.193-129.511 + 91.967 69.251 125.956-140.668 + 93.136 -46.070 138.969-121.265 + 129.613-145.903 0.000 0.000 + 92.164 45.156 0.000 0.000 + 91.969 64.352 97.788 -96.730 + 92.621 -46.459 134.272-121.864 + 121.619-163.454 124.108 -77.635 + 128.917-178.306 0.000 0.000 + 128.840 -80.974 110.903-126.893 + 119.095-110.954 118.312-124.605 + 120.576-135.826 109.229-107.634 + 118.232-118.743 118.612-123.086 + 121.910 0.000 121.544 -81.117 + # 123 total E -8.89700E+01 rmsd from N 0.000 %NC 0.00 0 + 93.978 126.907 143.372 -1.208 + 91.390 90.227 132.455 -18.783 + 90.883 45.270 121.156 99.763 + 89.968 48.516 145.109 -91.710 + 89.863 45.496 121.755-133.479 + 90.205 50.053 138.899 30.418 + 90.312 43.573 142.495-156.823 + 91.946 72.421 134.159-134.418 + 91.059 -61.849 135.371-130.061 + 110.855 -77.614 0.000 0.000 + 116.780 -63.634 0.000 0.000 + 92.574 70.271 138.960-168.703 + 92.598 93.411 113.244 -76.340 + 118.531 -81.695 116.730 -83.490 + 95.398 82.495 0.000 0.000 + 132.320 -59.172 160.392 -49.207 + 122.576-141.466 101.852-101.591 + 122.755-169.816 119.092-120.736 + 93.438 57.656 99.493 -96.214 + 93.338 0.000 112.549 -79.557 + # 124 total E -9.10147E+01 rmsd from N 0.000 %NC 0.00 0 + 93.852 100.759 147.030 -11.911 + 91.392 71.162 138.327 -41.824 + 91.343 45.385 122.522 121.839 + 90.311 46.453 143.211 -92.036 + 89.692 43.811 118.169-122.997 + 90.506 48.338 159.462 4.799 + 90.776 44.242 137.034-172.750 + 91.955 72.669 135.827-130.423 + 90.609 -62.983 130.872-134.495 + 107.585 -68.486 0.000 0.000 + 100.523 -27.888 0.000 0.000 + 92.952 100.028 137.387-163.507 + 92.792 100.828 114.446 -78.119 + 124.738 -90.242 123.303-138.399 + 94.573 81.915 0.000 0.000 + 128.941 -71.212 133.772-122.408 + 120.356-118.857 107.628-112.596 + 120.301-164.077 112.805-113.358 + 93.400 82.021 102.761-104.166 + 93.423 0.000 123.855-130.802 + # 125 total E -8.88437E+01 rmsd from N 0.000 %NC 0.00 0 + 93.977 127.502 143.744 -0.110 + 91.413 86.856 134.860 -26.513 + 91.467 45.667 121.295 100.662 + 90.540 43.203 151.160 -93.146 + 90.382 47.605 117.281-121.364 + 91.248 52.379 118.021 39.391 + 90.402 42.768 141.893-119.071 + 92.130 66.697 130.328-136.595 + 92.953 -74.290 141.884-122.337 + 125.098 -49.967 0.000 0.000 + 116.430 -49.542 0.000 0.000 + 93.849 58.249 92.048 -88.797 + 117.293 147.623 125.714 -79.711 + 115.478 -81.146 116.707 -81.386 + 93.716 53.949 0.000 0.000 + 121.071 -84.151 88.438 -71.300 + 118.897-161.599 113.833-117.792 + 117.553-112.587 118.734-120.259 + 93.331 75.681 101.443-105.244 + 93.272 0.000 110.790 -77.538 + # 126 total E -8.98386E+01 rmsd from N 0.000 %NC 0.00 0 + 93.707 40.874 108.908 -80.955 + 91.834 84.449 136.941 -24.634 + 91.932 43.291 121.695 105.960 + 90.456 44.945 140.481 -88.049 + 90.210 45.522 118.849-123.283 + 90.492 46.929 157.373 47.372 + 90.698 47.771 141.075 171.429 + 92.047 75.412 137.541-130.383 + 90.334 -68.666 134.953-130.426 + 102.654 -65.673 0.000 0.000 + 98.811 -33.139 0.000 0.000 + 92.695 102.730 134.714-160.792 + 94.843 115.042 112.446 -77.378 + 116.597 -89.783 121.717 -79.272 + 95.422 68.077 0.000 0.000 + 129.609 -87.019 110.016 -95.885 + 118.137-110.631 120.445-128.146 + 121.314-165.068 111.453-110.794 + 93.100 53.171 102.547-105.563 + 93.339 0.000 112.914 -79.618 + # 127 total E -8.77182E+01 rmsd from N 0.000 %NC 0.00 0 + 93.861 101.392 146.604 -11.522 + 91.413 71.993 138.712 -38.138 + 90.804 49.056 122.710 114.096 + 89.628 44.913 147.289 -91.924 + 90.039 45.799 117.821-121.760 + 90.850 48.952 152.794 33.075 + 90.537 41.773 138.343-141.977 + 92.139 68.055 133.503-134.835 + 91.473 -73.048 135.784-115.006 + 113.652 -48.414 0.000 0.000 + 125.380 -63.860 0.000 0.000 + 93.626 62.957 139.180-166.484 + 92.901 108.813 115.111 -76.559 + 94.699 -72.865 125.310-158.395 + 97.244 87.461 0.000 0.000 + 131.468 -82.376 158.167-128.390 + 121.691-117.295 108.482-111.226 + 118.922-117.154 113.820-115.316 + 117.481-118.691 124.697-130.002 + 121.867 0.000 121.573 -81.013 + # 128 total E -8.98817E+01 rmsd from N 0.000 %NC 0.00 0 + 93.913 121.812 145.255 -8.781 + 91.466 87.018 135.321 -25.623 + 89.855 50.757 93.910 -87.005 + 89.788 40.540 153.155 -96.990 + 89.937 46.894 123.580-117.302 + 90.279 55.345 159.379 90.380 + 90.095 40.330 141.844-132.356 + 92.140 62.060 126.574-136.294 + 92.020 -70.893 139.398-122.254 + 112.710 -47.630 0.000 0.000 + 115.555 -73.122 0.000 0.000 + 92.918 68.449 144.717-175.833 + 93.278 121.300 115.034 -76.826 + 118.439 -84.065 129.336-149.594 + 95.669 69.321 0.000 0.000 + 122.627 -77.903 128.356 -56.510 + 121.423-159.322 110.078-110.673 + 126.379-170.277 123.724-125.099 + 93.787 38.676 89.197 -77.817 + 93.380 0.000 113.872 -80.215 + # 129 total E -8.50631E+01 rmsd from N 0.000 %NC 0.00 0 + 93.903 121.526 145.624 -9.763 + 91.533 88.504 133.699 -18.693 + 90.268 48.695 93.688 -85.209 + 89.783 42.986 148.306 -97.010 + 90.199 45.645 121.207-127.339 + 90.727 47.690 149.017 38.022 + 90.557 44.248 132.739-145.410 + 92.012 70.291 135.169-135.089 + 90.819 -66.546 137.523-115.560 + 111.144 -64.618 0.000 0.000 + 116.596 -61.449 0.000 0.000 + 92.621 65.868 135.058-161.983 + 92.932 95.597 113.382 -76.383 + 93.416 -39.324 110.429 -80.837 + 114.611 -22.960 0.000 0.000 + 127.601 -82.919 81.262 -66.376 + 116.279-109.045 118.559-125.288 + 121.102-112.259 113.622-110.577 + 118.340-118.529 114.648-119.975 + 121.868 0.000 121.494 -81.058 + # 130 total E -8.72079E+01 rmsd from N 0.000 %NC 0.00 0 + 93.743 60.992 149.239 -28.790 + 92.687 114.713 141.554 -36.758 + 129.200 -95.747 87.014-102.293 + 91.225 58.783 139.819-101.609 + 90.075 40.121 113.864 -72.937 + 91.109 48.187 154.312 18.686 + 90.924 46.284 133.574 176.512 + 92.153 79.298 140.361-127.343 + 89.621 -64.993 132.958-136.609 + 102.549 -68.795 0.000 0.000 + 97.563 -28.056 0.000 0.000 + 93.486 104.903 134.178-158.186 + 94.005 104.854 116.436 -76.245 + 121.385 -85.588 122.106 -80.526 + 95.488 77.352 0.000 0.000 + 128.945 -77.694 121.639-114.863 + 118.461-109.807 117.225-124.112 + 121.415-148.276 109.500-108.045 + 93.144 82.457 102.257-113.406 + 93.429 0.000 120.315-134.174 + # 131 total E -8.76111E+01 rmsd from N 0.000 %NC 0.00 0 + 93.710 19.314 104.551 -80.765 + 92.514 169.109 145.298-136.682 + 91.330 80.097 128.308 -37.283 + 91.034 46.416 140.356 -95.305 + 89.988 43.534 116.352 -98.954 + 90.089 59.163 103.904-131.592 + 89.788 61.558 149.664 -33.826 + 89.769 74.603 130.802-141.224 + 91.230-151.953 135.564-114.689 + 95.514 67.574 0.000 0.000 + 92.926 43.437 0.000 0.000 + 89.657 52.751 88.571 -69.793 + 89.145 69.199 114.754 -73.953 + 92.305 25.152 112.404 -78.916 + 97.065 69.313 0.000 0.000 + 130.031 -99.218 129.399 -74.167 + 119.336-112.414 112.982-117.603 + 118.836-144.171 114.587-116.243 + 93.268 67.049 105.348-102.268 + 93.323 0.000 112.525 -78.772 + # 132 total E -8.73188E+01 rmsd from N 0.000 %NC 0.00 0 + 118.661 -88.819 110.240 -80.257 + 113.022-164.386 153.764 -14.833 + 93.414 68.026 135.577 116.835 + 90.094 45.184 147.251 -93.809 + 89.585 47.623 114.417 -73.982 + 90.273 47.876 158.519 8.169 + 90.724 42.527 133.256-163.122 + 92.282 72.995 132.991-131.791 + 90.945 -60.610 131.819-132.999 + 107.943 -68.874 0.000 0.000 + 101.021 -27.387 0.000 0.000 + 93.085 100.100 137.500-164.384 + 93.153 105.793 115.133 -78.863 + 126.547 -89.463 129.122-153.512 + 95.417 76.006 0.000 0.000 + 124.860 -76.566 133.926 -84.091 + 120.277-112.754 111.541-116.122 + 119.397-134.085 110.786-111.237 + 118.524-118.824 117.843-120.996 + 121.885 0.000 121.517 -81.070 + # 133 total E -8.71008E+01 rmsd from N 0.000 %NC 0.00 0 + 93.836 95.964 147.476 -14.157 + 91.379 71.226 142.718 -46.284 + 89.880 58.494 120.776 111.271 + 88.774 45.482 149.206 -94.760 + 89.454 49.050 117.905 -60.225 + 90.241 54.183 132.600 39.322 + 89.841 39.142 133.956-153.265 + 92.243 60.951 127.141-135.075 + 91.792 -72.483 140.454-106.933 + 114.975 -63.777 0.000 0.000 + 125.681 -64.106 0.000 0.000 + 101.725 -19.240 136.674-160.868 + 92.056 95.836 117.779 52.631 + 91.214 -3.159 116.187 -75.092 + 106.290 -53.735 0.000 0.000 + 134.011-114.666 92.957 -60.954 + 117.278-108.613 122.665-132.607 + 118.325-139.254 116.671-117.271 + 93.809 79.186 131.669-155.016 + 93.289 0.000 112.953 -76.566 + # 134 total E -8.69597E+01 rmsd from N 0.000 %NC 0.00 0 + 93.791 98.560 147.372 -24.700 + 93.143 118.220 146.859 -28.088 + 129.020-103.243 89.486 -97.037 + 91.775 62.431 144.945-111.343 + 90.700 42.246 113.291 -85.395 + 90.786 55.317 141.742 42.112 + 90.157 40.467 136.931-142.667 + 91.657 69.910 131.120-137.866 + 91.789 -40.737 141.213-128.674 + 116.096-155.327 0.000 0.000 + 92.537 47.630 0.000 0.000 + 89.557 49.344 97.806 -97.821 + 89.342 47.003 110.314 -74.793 + 93.820 179.972 114.102 -77.973 + 94.421 113.205 0.000 0.000 + 128.894 -78.812 106.056 -99.001 + 118.016-108.698 114.613-120.826 + 120.715-146.458 113.170-112.704 + 93.648 57.527 98.087-108.198 + 93.411 0.000 128.655-137.416 + # 135 total E -8.86802E+01 rmsd from N 0.000 %NC 0.00 0 + 115.868 -51.095 110.223 -81.842 + 91.768 79.714 130.702 -30.107 + 91.991 43.066 97.604 -80.861 + 91.228 43.844 148.034-100.369 + 90.053 42.793 119.834-112.085 + 90.969 52.759 164.667 10.694 + 90.450 45.859 131.815-165.466 + 91.623 74.481 107.655-102.890 + 90.421 -65.084 129.902-137.921 + 103.263 -66.204 0.000 0.000 + 98.725 -31.980 0.000 0.000 + 92.858 104.281 139.900-168.578 + 94.442 102.898 113.462 -77.150 + 122.544 -95.067 120.181 -77.440 + 94.782 80.737 0.000 0.000 + 130.771 -69.524 128.783 -95.106 + 118.869-107.655 110.562-115.137 + 118.618-138.908 110.384-111.240 + 117.307-118.159 126.508-135.418 + 121.779 0.000 121.472 -80.898 + # 136 total E -8.87405E+01 rmsd from N 0.000 %NC 0.00 0 + 93.915 122.438 145.257 -8.530 + 91.467 88.585 131.472 -23.059 + 90.424 50.370 96.974 -91.326 + 89.904 42.446 150.166 -99.725 + 90.037 45.444 119.532-122.941 + 90.965 53.749 117.568 40.316 + 90.235 43.780 135.801-147.586 + 92.153 66.656 130.309-135.651 + 91.858 -69.321 141.076-129.233 + 112.827 -60.492 0.000 0.000 + 117.293 -62.957 0.000 0.000 + 93.717 88.754 136.893-164.127 + 95.303 122.887 113.079 -76.253 + 121.907-102.107 109.723 -77.560 + 95.081 63.558 0.000 0.000 + 126.481 -86.301 96.829 -75.525 + 118.257-165.438 115.726-121.656 + 116.293-141.135 136.015-149.242 + 93.764 48.505 90.119 -81.000 + 93.380 0.000 112.813 -81.055 + # 137 total E -8.79592E+01 rmsd from N 0.000 %NC 0.00 0 + 93.932 115.199 143.071 -9.893 + 91.218 80.964 126.530 -11.722 + 92.153 41.071 146.435 109.918 + 90.568 49.881 145.698 -94.144 + 89.547 44.820 117.870-130.212 + 90.139 56.465 127.912 35.542 + 90.094 38.970 145.654-159.086 + 91.952 61.448 127.852-135.242 + 92.392 -68.500 137.839-119.063 + 120.569 -43.364 0.000 0.000 + 120.288 -51.782 0.000 0.000 + 112.796 152.906 131.828-144.397 + 93.511 96.739 113.852 -75.356 + 126.218-107.049 119.354 -82.874 + 95.702 78.981 0.000 0.000 + 133.232 -85.685 126.116 -73.510 + 119.249-107.823 117.546-123.467 + 119.230-144.752 112.083-112.893 + 93.027 62.178 102.415-104.738 + 93.342 0.000 111.191 -80.577 + # 138 total E -8.68962E+01 rmsd from N 0.000 %NC 0.00 0 + 93.965 125.582 143.599 -3.617 + 91.477 90.901 135.112 -18.415 + 91.070 45.660 124.814 97.676 + 89.577 47.356 142.327 -89.648 + 89.576 44.762 121.487-133.152 + 89.888 54.156 122.924 26.296 + 89.997 36.897 146.618 170.973 + 92.027 63.532 128.598-132.945 + 92.154 -55.645 135.702-115.341 + 122.379 -64.321 0.000 0.000 + 120.842 -29.747 0.000 0.000 + 114.293 163.187 86.525 -74.209 + 93.064 80.582 113.802 -71.690 + 120.586 -42.868 117.868 -79.828 + 94.620 88.626 0.000 0.000 + 117.540 -66.166 120.915-113.979 + 119.338-109.783 115.704-121.754 + 119.593-136.157 108.855-107.958 + 118.373-118.639 119.510-124.942 + 121.905 0.000 121.570 -81.093 + # 139 total E -8.79005E+01 rmsd from N 0.000 %NC 0.00 0 + 93.965 125.565 143.600 -3.636 + 91.479 90.885 135.135 -18.431 + 91.064 45.703 124.929 97.781 + 89.582 47.285 142.367 -89.625 + 89.568 44.792 121.458-133.082 + 89.875 54.340 122.855 26.235 + 89.979 36.885 146.583 170.980 + 92.022 63.618 128.458-132.958 + 92.161 -55.420 135.794-115.559 + 122.206 -64.770 0.000 0.000 + 120.603 -29.610 0.000 0.000 + 114.106 163.395 87.621 -75.156 + 93.163 82.529 113.668 -71.414 + 122.121 -44.014 118.506 -80.170 + 94.656 87.420 0.000 0.000 + 117.477 -66.682 118.498-111.578 + 119.109-109.373 115.101-121.042 + 119.244-142.670 109.377-108.692 + 93.128 74.810 104.181-115.972 + 93.311 0.000 112.225 -78.154 + # 140 total E -8.77696E+01 rmsd from N 0.000 %NC 0.00 0 + 93.857 106.808 146.708 -12.338 + 91.542 80.488 138.519 -26.894 + 90.904 43.942 134.207 116.207 + 90.001 50.020 139.768 -87.706 + 89.588 42.775 121.169-130.437 + 90.004 49.031 138.427 -17.090 + 90.379 43.459 142.603 176.857 + 91.540 72.627 137.082-132.094 + 90.622 -56.383 134.623-129.746 + 115.462 -68.994 0.000 0.000 + 109.223 -22.025 0.000 0.000 + 112.660-144.832 126.292-136.514 + 128.124-142.217 122.201 -81.203 + 93.693 35.991 115.635 -76.131 + 95.257 64.207 0.000 0.000 + 110.807 -63.053 154.123 -11.782 + 118.395-113.460 109.538-114.125 + 122.445-142.986 114.128-112.892 + 116.076-118.182 133.985-146.313 + 121.682 0.000 121.553 -80.663 + # 141 total E -8.54447E+01 rmsd from N 0.000 %NC 0.00 0 + 93.781 103.432 150.379 -17.001 + 92.947 137.868 144.250 -29.345 + 126.238 -89.643 94.508 -97.241 + 92.678 51.322 160.731-147.439 + 90.784 38.526 120.729 -65.316 + 91.155 56.456 131.229 -31.804 + 90.263 46.543 138.560 -47.915 + 91.227 89.886 134.507-138.209 + 91.505 -8.708 143.005-129.337 + 107.340 -80.815 0.000 0.000 + 94.048 -23.533 0.000 0.000 + 95.500 164.576 133.035-154.401 + 93.552 85.987 113.512 -78.835 + 124.087-111.089 117.738 -81.119 + 95.337 78.642 0.000 0.000 + 134.891 -80.349 122.184-124.581 + 118.408-106.329 116.493-122.991 + 118.218-144.684 113.503-114.637 + 93.606 46.329 100.670-107.607 + 93.377 0.000 113.767 -80.330 + # 142 total E -8.82246E+01 rmsd from N 0.000 %NC 0.00 0 + 93.721 17.500 102.778 -79.644 + 92.579 172.228 147.246-138.310 + 90.892 77.084 124.587 -36.457 + 90.338 51.868 133.711 -94.940 + 89.716 43.541 126.793-107.869 + 89.142 51.980 99.197-138.192 + 90.276 60.758 140.208 143.565 + 90.547 101.503 135.785-133.920 + 91.239 -14.959 143.918-130.166 + 99.891 -77.044 0.000 0.000 + 99.006 -22.941 0.000 0.000 + 93.368 105.685 140.196-166.834 + 94.667 107.718 118.835 -75.168 + 119.383 -94.824 148.183 -63.537 + 96.125 73.187 0.000 0.000 + 132.617 -70.229 145.422 -79.684 + 117.013-106.977 116.212-123.679 + 121.779-148.495 111.224-109.466 + 92.997 61.927 105.584-114.862 + 93.343 0.000 110.777 -80.927 + # 143 total E -8.51155E+01 rmsd from N 0.000 %NC 0.00 0 + 93.708 21.360 105.313 -80.947 + 92.446 167.504 145.816-140.174 + 91.179 68.559 122.582 -40.087 + 89.915 51.019 142.652-100.339 + 89.523 48.905 129.401 -83.519 + 88.822 51.168 108.868-144.135 + 90.091 50.162 160.957-136.166 + 91.203 79.833 132.506-135.483 + 92.563-106.061 135.507-112.628 + 136.291 -75.917 0.000 0.000 + 94.899 34.021 0.000 0.000 + 92.704 53.771 131.818-155.534 + 92.899 -46.989 115.151 -74.844 + 129.054-171.137 117.639 -78.481 + 118.003 166.535 0.000 0.000 + 128.758 -75.400 138.324-106.139 + 116.496-105.537 118.944-127.603 + 119.650-141.446 108.666-107.090 + 93.111 76.526 105.561-116.400 + 93.307 0.000 111.972 -78.109 + # 144 total E -8.58595E+01 rmsd from N 0.000 %NC 0.00 0 + 93.791 100.906 149.233 -19.121 + 92.071 135.467 120.528 -45.209 + 90.798 57.059 85.543 -95.541 + 90.144 42.967 145.162 -95.693 + 89.303 48.205 126.965-150.084 + 89.376 53.049 127.858 1.451 + 90.102 47.070 153.787-129.401 + 91.567 75.180 129.463-137.893 + 91.072 -80.503 134.641-123.368 + 94.302 160.016 0.000 0.000 + 154.736 -39.603 0.000 0.000 + 118.723-141.607 108.524-109.670 + 92.858 97.080 114.988 -76.978 + 115.004-111.065 114.767 -80.313 + 125.530 179.264 0.000 0.000 + 128.261 -88.463 130.332-107.246 + 117.989-108.807 122.922-132.449 + 121.123-144.419 108.458-106.238 + 93.072 72.989 107.147-111.696 + 93.317 0.000 111.845 -78.743 + # 145 total E -8.99949E+01 rmsd from N 0.000 %NC 0.00 0 + 93.705 44.192 109.213 -81.160 + 92.957 172.482 143.155 -20.335 + 91.920 77.114 143.849 110.895 + 89.830 48.525 145.784 -97.748 + 89.339 44.952 112.805 -63.321 + 90.503 51.855 157.925 -6.068 + 90.550 42.335 135.843-163.966 + 91.671 72.326 103.642 -98.626 + 90.812 -60.311 130.569-136.080 + 108.698 -69.470 0.000 0.000 + 101.025 -26.831 0.000 0.000 + 92.995 100.182 138.689-165.274 + 93.335 107.435 115.442 -78.751 + 124.191 -87.725 130.771-159.177 + 95.583 73.613 0.000 0.000 + 124.881 -80.121 131.725 -84.668 + 118.781-110.960 116.388-122.492 + 120.442-147.014 110.949-110.807 + 93.056 85.623 101.036-107.825 + 93.427 0.000 119.557-131.303 + # 146 total E -8.69252E+01 rmsd from N 0.000 %NC 0.00 0 + 93.722 26.084 105.081 -79.150 + 91.752 99.474 131.539 -25.415 + 91.336 49.277 91.340 -87.452 + 90.110 43.280 150.638 -95.517 + 90.437 44.691 122.454-128.019 + 91.125 47.576 151.948 40.763 + 90.733 43.059 131.021-146.345 + 92.211 70.211 136.344-135.030 + 90.940 -67.748 137.493-114.333 + 111.326 -61.885 0.000 0.000 + 116.564 -60.874 0.000 0.000 + 92.778 66.250 134.755-161.439 + 93.170 96.202 113.414 -76.415 + 93.685 -36.568 111.532 -80.867 + 115.542 -24.350 0.000 0.000 + 125.300 -84.699 79.112 -67.654 + 117.334-112.658 117.883-123.979 + 120.918-105.796 114.496-111.327 + 92.902 79.907 90.167 -96.682 + 93.230 0.000 106.951 -78.357 + # 147 total E -8.54148E+01 rmsd from N 0.000 %NC 0.00 0 + 93.889 122.789 145.106 -17.013 + 122.350 177.777 159.804 -10.202 + 93.022 77.812 150.617 104.410 + 90.954 41.884 149.287 -93.757 + 89.811 49.593 126.777 -88.626 + 90.903 52.927 127.352 34.016 + 90.350 37.781 139.615-150.051 + 92.151 60.732 127.008-133.053 + 92.463 -64.149 135.642-113.266 + 125.575 -56.370 0.000 0.000 + 118.071 -13.986 0.000 0.000 + 117.999-143.378 111.577-112.696 + 127.255-146.332 119.277 -81.292 + 94.269 37.494 115.801 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119.763 173.215 152.136 -15.502 + 93.269 75.737 133.067 111.033 + 91.046 36.959 152.999 -98.036 + 90.064 54.882 122.851 -63.850 + 90.626 57.333 121.179 37.298 + 90.249 41.272 136.494-140.485 + 92.423 66.829 130.273-133.859 + 92.275 -68.158 141.511-127.711 + 114.240 -56.192 0.000 0.000 + 124.017 -58.270 0.000 0.000 + 95.198 95.283 142.918-171.133 + 93.437 108.475 119.349 -76.707 + 124.661 -95.663 105.680 -73.617 + 93.936 79.737 0.000 0.000 + 127.206 -64.773 126.077 -61.621 + 115.760-141.994 92.731 -88.953 + 121.305-167.473 117.680-119.498 + 93.686 56.420 97.337-100.064 + 93.339 0.000 112.910 -79.371 + # 150 total E -8.82155E+01 rmsd from N 0.000 %NC 0.00 0 + 93.893 121.672 146.289 -9.596 + 91.311 86.596 128.213 -13.787 + 90.560 49.257 95.643 -90.392 + 89.743 44.139 150.275 -96.921 + 89.909 46.464 121.451-127.616 + 90.813 50.172 124.490 48.569 + 90.034 46.031 127.716-154.434 + 90.872 57.156 133.314-135.698 + 92.002 170.622 140.878-122.211 + 95.417 103.435 0.000 0.000 + 125.928 -51.248 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119.221-171.855 + 102.173 -31.877 0.000 0.000 + 121.274 -79.740 145.204 -41.078 + 117.204-162.724 115.608-123.116 + 93.146 115.709 104.858-106.774 + 93.050 35.131 107.094-118.535 + 93.315 0.000 113.569 -77.735 + # 168 total E -8.58601E+01 rmsd from N 0.000 %NC 0.00 0 + 119.327-138.910 146.094 -15.695 + 114.621-174.953 150.337 -19.337 + 92.837 65.949 127.454 118.777 + 90.493 38.575 152.397 -96.519 + 90.154 51.360 106.690 -51.157 + 90.783 47.293 122.033 52.963 + 90.220 51.790 132.200-136.467 + 90.504 48.618 134.376-139.866 + 92.368 166.493 145.986 -24.315 + 95.087 75.941 0.000 0.000 + 126.721 -53.619 0.000 0.000 + 105.123 168.311 129.863-145.523 + 94.459 175.433 113.679 -82.395 + 94.350 38.941 118.650-175.756 + 95.557 58.605 0.000 0.000 + 112.472 -80.843 126.118 -44.839 + 107.312-164.282 97.069 -89.542 + 135.303-170.577 119.447-111.371 + 92.951 64.994 102.101-109.173 + 93.335 0.000 111.182 -80.257 + # 169 total E -8.51960E+01 rmsd from N 0.000 %NC 0.00 0 + 93.872 120.978 147.373 -9.981 + 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119.258-125.749 + 119.154-135.779 112.428-111.967 + 118.555-118.532 117.951-121.180 + 121.885 0.000 121.482 -81.098 + # 185 total E -8.72418E+01 rmsd from N 0.000 %NC 0.00 0 + 93.835 81.354 146.189 -19.672 + 91.723 75.732 142.388 -52.881 + 91.126 81.541 140.183 42.888 + 89.795 54.349 142.814 -99.447 + 89.742 45.437 111.735-104.637 + 91.344 51.529 130.347 37.302 + 90.634 38.532 145.406-114.485 + 92.196 62.501 130.312-133.663 + 92.080 -73.746 130.562-132.260 + 121.293 -67.308 0.000 0.000 + 131.097 -39.436 0.000 0.000 + 106.535 -30.324 93.347 -84.650 + 91.273 98.035 125.081 133.167 + 91.765 6.595 105.589 -79.573 + 120.104 -13.610 0.000 0.000 + 128.046 -77.464 99.987 -57.987 + 116.467-105.916 119.357-124.214 + 117.581-118.457 142.579-157.059 + 119.097-111.886 114.488-118.039 + 121.295 0.000 119.701 -80.966 + # 186 total E -8.51787E+01 rmsd from N 0.000 %NC 0.00 0 + 93.751 102.163 150.648 -23.032 + 93.033 127.757 132.680 -28.497 + 129.860 -99.551 93.602 -96.451 + 91.551 67.923 146.142-112.023 + 90.540 40.021 120.684 -97.475 + 91.312 56.502 113.905 32.334 + 90.837 34.472 140.394-137.029 + 93.174 75.926 131.143-138.172 + 93.770 -51.497 142.331-128.502 + 131.590-143.017 0.000 0.000 + 92.114 44.275 0.000 0.000 + 91.799 64.026 96.320 -95.664 + 92.540 -45.225 129.226-107.242 + 117.183-163.178 122.076 -77.372 + 129.450-179.368 0.000 0.000 + 129.578 -70.762 113.756-122.320 + 117.590-103.263 119.098-127.433 + 118.320-138.688 109.725-109.469 + 117.857-118.864 124.289-133.519 + 121.886 0.000 121.623 -81.022 + # 187 total E -8.85157E+01 rmsd from N 0.000 %NC 0.00 0 + 93.961 124.086 143.250 -5.820 + 91.181 90.728 130.988 -1.793 + 90.342 53.477 127.972 91.473 + 89.554 45.416 148.585 -92.899 + 89.952 47.745 126.871-142.234 + 90.313 48.419 124.393 49.076 + 89.854 50.084 141.625-126.537 + 89.875 48.832 135.946-140.429 + 91.473 165.541 145.941 -30.985 + 95.084 92.544 0.000 0.000 + 130.173 -57.281 0.000 0.000 + 105.890 163.004 130.235-145.750 + 93.988 178.052 112.682 -83.171 + 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143.855 -7.374 + 91.226 90.486 128.595 -3.600 + 90.572 53.919 127.823 85.892 + 89.832 45.751 148.072 -93.853 + 90.028 47.644 125.348-139.394 + 90.516 49.255 126.459 45.083 + 89.805 49.647 143.094-118.773 + 89.863 49.027 134.894-140.367 + 91.775 169.809 141.284 -26.470 + 94.611 93.231 0.000 0.000 + 130.697 -53.629 0.000 0.000 + 113.452 172.478 130.356-141.427 + 111.473-174.773 115.496 -85.193 + 95.919 30.333 116.178 -76.503 + 96.595 55.346 0.000 0.000 + 120.206 -82.199 131.785 -54.131 + 115.516-147.244 109.863-113.663 + 134.125-173.705 117.050-108.579 + 92.415 94.771 105.888-112.897 + 93.444 0.000 120.157-128.840 + # 190 total E -8.88275E+01 rmsd from N 0.000 %NC 0.00 0 + 93.789 99.116 146.064 -28.565 + 116.015 173.100 150.299 -33.542 + 114.885 166.076 113.501 -66.323 + 90.279 73.256 126.594-111.628 + 89.541 49.428 104.479-106.875 + 89.909 54.789 124.306 37.721 + 90.298 38.235 144.209-178.442 + 92.178 64.950 128.057-132.766 + 92.135 -66.266 136.198-126.272 + 119.480 -55.500 0.000 0.000 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13010120 + diff --git a/examples/unres/CSA/GAB/CSA/global/restrained/1l2y_csa.CSA.rbank b/examples/unres/CSA/GAB/CSA/global/restrained/1l2y_csa.CSA.rbank new file mode 100644 index 0000000..eb09b16 --- /dev/null +++ b/examples/unres/CSA/GAB/CSA/global/restrained/1l2y_csa.CSA.rbank @@ -0,0 +1,4201 @@ + jlee = 1 nbank = 200 nstep = 200 99685 0 1380.39519 + # 1 total E -7.45520E+01 rmsd from N 0.000 %NC 0.00 + 116.735-140.397 151.990-149.608 + 122.873 179.273 165.808-144.319 + 100.162 153.383 167.757 7.890 + 91.031 61.117 137.010-114.687 + 89.422 42.566 94.092 -57.315 + 90.590 52.614 166.076 163.392 + 90.163 49.616 139.719 -43.265 + 90.778 78.049 133.098-141.752 + 91.409 5.782 142.903-118.765 + 111.934 -92.480 0.000 0.000 + 121.371 -50.742 0.000 0.000 + 92.614 65.747 131.467-154.842 + 92.858 149.898 113.369 -76.619 + 133.707 170.723 143.579-147.729 + 110.390 160.382 0.000 0.000 + 133.383 -89.732 129.209-137.333 + 115.822-103.840 122.950-132.859 + 118.954-135.689 105.604-104.214 + 118.188-118.549 120.683-127.238 + 120.782 0.000 147.129-117.742 + # 2 total E -7.27593E+01 rmsd from N 0.000 %NC 0.00 + 117.562-157.005 157.412-149.579 + 117.512-114.084 144.822 -27.239 + 90.970 55.851 102.605 -85.701 + 90.080 39.747 150.761 -97.763 + 89.910 47.698 106.467 -65.053 + 90.270 46.519 149.600 117.248 + 90.695 64.286 133.151 -62.562 + 90.571 98.035 135.907-124.854 + 92.117 -50.083 140.837-106.113 + 96.806 88.322 0.000 0.000 + 135.820 -59.752 0.000 0.000 + 131.801 170.881 109.685-101.766 + 127.601 165.356 121.072 -79.766 + 99.372 -74.070 112.382 -80.020 + 94.452 38.280 0.000 0.000 + 119.189 -74.196 109.124 85.077 + 115.816-165.554 115.940-123.109 + 93.099 118.641 106.846-117.629 + 117.394-119.388 124.986-135.311 + 120.820 0.000 147.668-111.055 + # 3 total E -7.22216E+01 rmsd from N 0.000 %NC 0.00 + 118.563-148.924 146.355 -17.923 + 120.490 -82.877 163.315 -10.214 + 127.095-157.888 106.609 -98.675 + 92.199 61.334 140.457-101.325 + 89.828 43.178 125.727-128.102 + 90.854 70.731 129.569 19.484 + 90.224 35.361 139.530-179.426 + 92.285 67.259 131.731-133.625 + 92.211 -57.844 139.911-124.964 + 113.841 -60.240 0.000 0.000 + 118.446 -33.125 0.000 0.000 + 100.338 -46.724 91.558 -83.503 + 92.808 -17.435 110.919 -72.963 + 113.938 -59.232 118.232 -78.040 + 96.398 75.046 0.000 0.000 + 127.135 -86.593 135.123 -51.129 + 122.959-160.805 111.751-112.660 + 115.759 131.810 112.913-115.853 + 115.679 -23.898 132.024-147.945 + 93.490 0.000 115.666 -76.974 + # 4 total E -7.21588E+01 rmsd from N 0.000 %NC 0.00 + 120.998-102.531 165.628-153.923 + 114.092 177.459 150.012 -28.760 + 93.648 82.891 138.137 113.905 + 92.114 37.055 151.890 -98.726 + 90.619 54.150 127.338 -87.383 + 91.287 64.081 158.383 45.163 + 89.755 55.602 138.353-144.688 + 90.067 103.617 105.155-124.701 + 91.502 -18.811 145.390 -43.493 + 98.261 -73.112 0.000 0.000 + 98.405 -23.357 0.000 0.000 + 93.302 105.072 135.388-161.088 + 93.388 123.276 119.083 -74.843 + 132.322 175.810 120.654 -87.326 + 120.643 42.842 0.000 0.000 + 121.078-104.673 141.530-149.218 + 127.571-170.931 112.234-108.803 + 99.899-166.738 101.132 -99.869 + 117.479-121.730 133.764-148.987 + 123.165 0.000 121.202 -83.692 + # 5 total E -7.20878E+01 rmsd from N 0.000 %NC 0.00 + 93.606 45.082 143.672-132.804 + 91.844 79.418 174.522-141.068 + 91.953 41.872 163.782 6.129 + 90.699 46.214 147.099 -94.787 + 89.913 49.029 125.967 -27.931 + 90.659 45.595 153.473 40.246 + 90.979 45.385 140.093-117.664 + 91.837 53.327 135.817-135.921 + 93.620-167.341 123.301 -76.961 + 127.290 -58.993 0.000 0.000 + 138.583 -35.301 0.000 0.000 + 104.403 -31.381 132.746-151.718 + 91.463 102.445 114.688 -76.043 + 92.201 -22.633 109.301 -77.471 + 118.644 -34.110 0.000 0.000 + 125.877 -69.859 122.193 -64.104 + 118.607-109.842 111.760-114.532 + 119.386-140.558 126.113-132.821 + 93.276 68.011 100.484 -94.789 + 93.324 0.000 112.224 -78.949 + # 6 total E -7.16993E+01 rmsd from N 0.000 %NC 0.00 + 117.939-151.946 148.970 -20.681 + 116.559 177.033 153.502 -20.937 + 92.837 72.493 137.604 -96.556 + 91.941 53.301 166.278 171.996 + 90.139 43.626 126.650 -68.986 + 89.984 53.386 103.197-130.526 + 89.982 53.372 140.851 -35.915 + 90.600 75.568 134.720-134.655 + 93.077 51.503 138.898-116.687 + 135.860 -72.709 0.000 0.000 + 140.811 -58.769 0.000 0.000 + 92.699 54.371 131.021-154.157 + 90.907 54.485 113.127 -76.414 + 92.920 85.333 109.252 -77.876 + 95.208 79.413 0.000 0.000 + 116.770 -81.835 88.921-107.499 + 118.326-112.834 114.119-119.367 + 119.483-139.211 117.042-118.900 + 116.234-107.552 131.878-141.865 + 94.500 0.000 115.658 -76.979 + # 7 total E -7.14006E+01 rmsd from N 0.000 %NC 0.00 + 93.592 46.974 143.417-127.484 + 91.866 86.742 159.456-123.007 + 92.545 38.815 164.474 6.268 + 92.224 88.876 139.647 -98.375 + 91.898 -53.644 131.591-169.323 + 94.212 96.356 129.239 0.215 + 91.753 31.097 131.652-136.323 + 93.326 83.881 140.391-120.287 + 93.545 11.113 149.490 -22.175 + 128.866-163.518 0.000 0.000 + 110.179 -5.997 0.000 0.000 + 92.294 82.124 102.063-100.889 + 92.852 -57.151 105.587 -71.738 + 128.129-163.635 122.397 -78.918 + 117.967 174.476 0.000 0.000 + 131.013 -98.007 108.109-127.757 + 118.842-164.190 112.632-116.778 + 119.817-113.061 120.671-123.240 + 120.577 115.165 119.472-120.905 + 93.399 0.000 111.603 -78.646 + # 8 total E -7.12174E+01 rmsd from N 0.000 %NC 0.00 + 93.711 47.146 108.827 -80.651 + 92.712 166.226 149.207 -34.685 + 92.973 85.523 176.424 160.414 + 89.906 38.878 150.618-103.620 + 89.831 53.896 121.361 -77.080 + 90.967 54.165 148.523 -22.087 + 90.411 41.983 136.678-128.720 + 92.003 83.556 100.788-104.711 + 92.673 -45.526 139.311-137.088 + 121.203 -33.758 0.000 0.000 + 125.083 -63.723 0.000 0.000 + 129.676 155.139 114.685-110.355 + 92.649 150.393 110.603 -73.381 + 150.270 174.454 133.697 -87.462 + 93.640 73.598 0.000 0.000 + 124.429 -73.200 140.031 -45.734 + 116.138-114.297 89.082 -87.646 + 118.233-140.330 117.070-120.078 + 127.396 -3.448 111.001-105.327 + 118.057 0.000 143.211-114.025 + # 9 total E -7.11986E+01 rmsd from N 0.000 %NC 0.00 + 119.910-117.523 105.818 -75.958 + 91.646 69.805 154.354-142.872 + 90.654 126.276 131.025 -37.245 + 89.687 63.047 128.889-106.590 + 88.764 44.263 117.624-120.686 + 89.519 63.125 114.904 16.866 + 89.843 34.188 161.358 178.633 + 92.135 70.590 129.999-135.948 + 92.396 -42.347 139.389-123.765 + 120.442 -66.289 0.000 0.000 + 117.016 -20.335 0.000 0.000 + 105.015 -33.503 104.208-105.622 + 95.495 -43.396 111.624 -77.016 + 94.203 62.536 133.066 -56.516 + 151.486 -33.060 0.000 0.000 + 126.201 -67.830 148.630 -47.295 + 118.924-112.378 110.085-112.215 + 117.425-140.477 128.419-137.320 + 93.403 93.668 101.598 -95.888 + 118.668 0.000 117.993 -81.782 + # 10 total E -7.10597E+01 rmsd from N 0.000 %NC 0.00 + 93.612 103.304 143.733-132.047 + 117.373 178.346 149.837 -19.529 + 110.335 175.069 118.615 -76.711 + 90.981 69.950 138.173-104.434 + 89.742 40.629 103.432 -98.125 + 90.644 52.337 148.893 29.248 + 91.174 41.979 136.851-162.759 + 92.394 73.115 136.755-135.601 + 91.764 -96.221 137.897-120.177 + 94.239 111.310 0.000 0.000 + 138.223 -26.764 0.000 0.000 + 125.102-163.128 108.623-107.743 + 117.559-178.514 145.655 -27.198 + 138.431 -68.183 120.707 -85.027 + 96.077 79.779 0.000 0.000 + 128.587 -79.593 97.967 -85.186 + 120.146 138.026 117.431-123.862 + 107.016-108.920 101.780-100.395 + 118.098-118.930 121.066-128.460 + 121.953 0.000 121.699 -81.060 + # 11 total E -7.08951E+01 rmsd from N 0.000 %NC 0.00 + 122.399 -80.072 172.211-165.962 + 123.326-162.038 156.307 159.180 + 126.143 -67.338 153.044 -0.375 + 91.187 61.507 145.921-100.506 + 90.628 34.555 116.156-111.628 + 92.231 56.140 127.141 33.030 + 90.861 33.875 135.721-154.029 + 92.643 65.937 135.795-135.593 + 91.973 -52.230 137.651-117.091 + 117.322-161.571 0.000 0.000 + 139.224 -34.794 0.000 0.000 + 92.746 55.337 134.728-160.116 + 92.242 52.413 112.976 -76.034 + 126.049 -63.953 107.399 -78.336 + 115.331 86.416 0.000 0.000 + 133.056 -71.597 94.473 -69.726 + 118.236-107.671 108.571-111.171 + 118.938-142.923 110.566-111.165 + 116.104 -2.126 130.088-141.729 + 118.883 0.000 120.218 -80.326 + # 12 total E -7.04527E+01 rmsd from N 0.000 %NC 0.00 + 116.966-165.331 148.468 -24.344 + 119.272-172.976 149.359 -12.954 + 130.113-175.762 160.912 148.240 + 91.783 56.464 166.518-107.516 + 90.427 36.248 99.710 -68.024 + 91.732 57.278 137.497-120.488 + 90.085 59.578 144.167-130.407 + 89.924 93.602 118.802-112.387 + 92.008 -47.775 135.235-130.687 + 96.634 82.928 0.000 0.000 + 131.957 -55.761 0.000 0.000 + 132.253 166.811 103.820 -94.996 + 128.382 177.832 122.411 -79.648 + 119.107 -82.362 110.481 -81.726 + 95.135 43.529 0.000 0.000 + 121.816 -99.761 147.228 53.650 + 102.318 128.572 101.601-110.984 + 92.801 116.282 101.797-113.014 + 113.896 -24.661 133.880-148.905 + 93.454 0.000 109.125 -79.440 + # 13 total E -7.03821E+01 rmsd from N 0.000 %NC 0.00 + 118.709-158.869 106.631 -75.713 + 112.832 125.965 157.828-105.290 + 125.508-105.205 150.998 -13.964 + 90.511 52.058 147.772-107.687 + 90.036 42.067 114.957-105.302 + 91.267 54.829 122.955 34.993 + 90.336 36.266 145.604-129.099 + 92.661 67.538 129.628-137.062 + 92.354 -58.997 139.024-121.863 + 118.991 -70.092 0.000 0.000 + 133.439-139.118 0.000 0.000 + 118.281-135.195 128.906-134.135 + 94.298 178.142 136.457-120.311 + 144.427-166.738 128.289 -85.372 + 94.550 78.041 0.000 0.000 + 120.610 -81.842 137.616 -49.487 + 120.144-112.007 115.628-120.345 + 118.823-137.702 111.410-111.844 + 119.603-115.272 115.238-117.379 + 121.251 0.000 120.839 -80.378 + # 14 total E -7.01834E+01 rmsd from N 0.000 %NC 0.00 + 93.636 46.628 143.898-134.409 + 92.786 169.527 151.529 -27.079 + 92.480 87.574 176.441 170.918 + 90.259 39.625 142.219 -96.262 + 89.434 49.970 115.477 -85.110 + 90.216 63.102 154.772 -19.110 + 89.995 54.446 144.666 -51.223 + 89.855 80.782 105.087-120.857 + 92.700 18.467 91.535 -76.848 + 118.395-154.430 0.000 0.000 + 92.669 46.907 0.000 0.000 + 90.543 60.407 99.588 -99.558 + 89.975 119.154 116.356 -76.917 + 94.238 24.176 114.082-134.445 + 96.678 90.289 0.000 0.000 + 132.481-100.346 55.477 -78.317 + 126.276 136.096 116.648-118.539 + 107.941-174.962 119.092-129.256 + 94.428 28.149 96.172 -88.963 + 93.415 0.000 117.162 -78.671 + # 15 total E -7.00689E+01 rmsd from N 0.000 %NC 0.00 + 120.087-160.241 138.090 -12.760 + 109.009 175.566 144.234-125.712 + 90.714 77.673 118.322 -30.009 + 91.717 39.655 166.274-150.583 + 90.362 49.957 116.162 -77.033 + 91.000 43.685 115.065-131.712 + 90.809 68.583 148.706 -2.491 + 89.370 65.898 138.720-126.913 + 91.465 12.136 103.340 -82.310 + 119.828 -20.898 0.000 0.000 + 137.007 -64.156 0.000 0.000 + 131.806 164.095 115.972-110.228 + 123.330-174.425 123.492 -74.856 + 94.555 75.961 116.197 -76.174 + 137.412-108.139 0.000 0.000 + 127.778 -90.610 130.355 87.413 + 118.846-164.625 124.638-134.003 + 109.531-142.085 100.935 -85.412 + 93.100 98.292 103.824-108.925 + 118.210 0.000 115.662 -81.846 + # 16 total E -6.95268E+01 rmsd from N 0.000 %NC 0.00 + 114.880 160.506 109.017 -81.127 + 91.754 86.864 144.187-148.866 + 92.105 79.493 176.471-179.643 + 90.340 50.325 144.714 -87.216 + 90.254 42.231 107.778-111.439 + 90.763 49.997 100.783-131.044 + 90.488 49.126 144.497-141.645 + 91.128 58.252 140.032-131.945 + 92.101 10.794 119.305 -77.946 + 120.451 -11.089 0.000 0.000 + 137.252 -48.137 0.000 0.000 + 126.382-179.881 118.260-116.635 + 128.268-175.382 150.924 -49.772 + 94.997 124.120 115.784 -76.183 + 135.285 -80.328 0.000 0.000 + 124.708 -90.678 127.086 -52.725 + 124.979-166.332 113.394-113.183 + 120.347-141.530 117.588-117.662 + 93.641 98.475 131.863-155.391 + 117.569 0.000 115.747 -80.285 + # 17 total E -6.94398E+01 rmsd from N 0.000 %NC 0.00 + 118.306-165.739 143.058 -20.698 + 119.448-175.758 169.378-162.507 + 129.579-171.551 168.031 171.994 + 91.402 50.644 157.533-101.820 + 90.578 36.478 91.774 -60.756 + 92.338 59.137 148.268 98.844 + 90.715 69.942 144.410-134.097 + 89.947 62.284 129.947-129.625 + 91.953 27.393 102.475 -76.412 + 123.315-149.755 0.000 0.000 + 139.955 -15.846 0.000 0.000 + 108.393 -28.189 122.405-132.483 + 91.443 95.444 134.850-140.854 + 92.322 -6.313 106.982 -76.930 + 118.509 -30.487 0.000 0.000 + 128.588 -77.342 140.806 -48.758 + 115.176-126.431 91.536 -87.466 + 116.642-153.974 134.982-146.998 + 119.714-117.053 114.929-112.964 + 120.633 0.000 146.855-112.705 + # 18 total E -6.93023E+01 rmsd from N 0.000 %NC 0.00 + 116.481-144.148 152.194-148.329 + 121.038-177.566 149.105 -17.624 + 108.555-173.897 120.510 -82.606 + 91.614 62.254 145.256-103.357 + 90.522 39.608 97.384 -75.626 + 92.126 56.843 138.238 54.190 + 90.405 38.933 139.033-138.582 + 91.082 57.544 131.957-140.632 + 92.261 40.234 150.144 -21.252 + 95.490 82.501 0.000 0.000 + 109.946 -31.700 0.000 0.000 + 92.889 73.434 131.581-155.094 + 114.942-127.808 114.232 -77.833 + 122.150 130.598 147.755 -58.552 + 137.051 -97.882 0.000 0.000 + 123.730 -81.766 140.003 154.700 + 118.204-159.715 117.756-126.372 + 93.610 118.794 105.730-101.439 + 119.882 156.079 119.933-125.180 + 93.792 0.000 114.895 -77.668 + # 19 total E -6.91379E+01 rmsd from N 0.000 %NC 0.00 + 118.477-153.746 146.065 -20.199 + 121.245-178.481 162.355-159.325 + 113.938 166.521 158.574 1.256 + 92.544 56.580 157.867-134.032 + 89.962 43.546 107.945 -40.850 + 91.030 51.153 150.898 104.503 + 90.527 52.240 142.024 -83.569 + 91.232 73.210 119.032-107.204 + 93.202 32.866 143.745-142.254 + 137.362 -73.192 0.000 0.000 + 126.122 -28.656 0.000 0.000 + 115.272-148.531 125.163-132.985 + 132.515-170.454 123.332 -80.974 + 93.626 71.780 115.934 -76.274 + 125.264 -4.642 0.000 0.000 + 117.744 -67.386 126.090 -96.195 + 121.816-158.818 109.947-112.764 + 121.948-110.812 114.092-112.623 + 117.919-118.611 120.628-126.585 + 121.898 0.000 121.545 -81.101 + # 20 total E -6.91117E+01 rmsd from N 0.000 %NC 0.00 + 93.795 128.049 108.136 -74.839 + 104.886 125.761 169.472 -21.365 + 130.003 -89.079 156.515 -11.274 + 91.247 59.922 149.281 -83.052 + 91.484 36.103 100.227 -99.679 + 91.967 59.920 101.377-112.514 + 90.515 36.057 146.932-125.595 + 91.584 84.399 135.016-139.982 + 93.988 -46.005 145.201 -37.146 + 98.003 92.168 0.000 0.000 + 126.077 -49.380 0.000 0.000 + 134.389 169.661 104.125 -93.173 + 93.046 90.749 114.481 -76.366 + 95.713 -72.418 114.054 -77.430 + 127.062 60.580 0.000 0.000 + 125.187-112.966 120.304 -41.808 + 114.569-110.843 96.488 -85.582 + 114.685-143.156 117.447-120.938 + 116.008-115.640 135.273-149.681 + 94.705 0.000 116.689 -77.803 + # 21 total E -6.87151E+01 rmsd from N 0.000 %NC 0.00 + 93.638 47.503 143.678-131.163 + 92.980 171.267 153.812 -33.616 + 118.992 158.349 164.426 12.808 + 91.932 57.298 147.427-111.566 + 90.187 37.743 102.812 -47.565 + 90.930 52.198 151.524 115.744 + 90.393 65.507 147.181 -42.430 + 89.912 63.617 139.155-131.736 + 91.071 144.094 137.389-113.656 + 135.180 -72.591 0.000 0.000 + 108.436 -47.508 0.000 0.000 + 97.624 -39.746 131.531-152.943 + 92.112 115.471 115.282 -75.482 + 94.328 76.337 111.773 -78.404 + 119.480-177.976 0.000 0.000 + 131.983 -74.520 134.211 158.930 + 117.879-149.681 112.986-117.299 + 99.870-175.760 102.298-101.494 + 94.066 107.730 127.362-151.682 + 119.245 0.000 120.220 -81.169 + # 22 total E -6.84833E+01 rmsd from N 0.000 %NC 0.00 + 119.672-121.099 109.613 -79.131 + 120.888-167.031 155.063 -3.476 + 126.501 173.638 176.458 168.975 + 91.212 45.071 164.573-119.489 + 89.829 42.986 96.234 -53.385 + 90.837 55.355 156.561 113.059 + 90.399 70.387 139.397 -64.104 + 89.166 58.319 110.611 82.773 + 91.582 12.809 101.434 -83.485 + 121.490 -1.892 0.000 0.000 + 142.879 -38.657 0.000 0.000 + 117.705 171.551 84.790 -70.431 + 122.341 175.808 120.721 -77.046 + 124.530 -77.931 113.233 -80.676 + 94.792 64.676 0.000 0.000 + 124.401 -81.641 98.145 -74.592 + 104.725 143.695 99.209-106.288 + 135.667-169.303 101.326 -89.288 + 119.866-125.334 119.563-123.654 + 123.645 0.000 121.677 -84.450 + # 23 total E -6.82401E+01 rmsd from N 0.000 %NC 0.00 + 115.793-165.192 152.238-149.335 + 121.372-111.231 157.721 -21.415 + 93.809 100.090 176.445 161.047 + 91.140 30.551 148.668-114.769 + 90.547 62.651 124.719-116.681 + 91.918 89.561 135.066 18.558 + 91.398 40.855 147.992-145.487 + 92.509 73.897 107.817 113.196 + 92.967 -76.536 145.934-162.975 + 96.567 167.511 0.000 0.000 + 145.620 -52.405 0.000 0.000 + 102.143 173.417 96.987 -97.395 + 134.876 166.085 124.011 -82.587 + 91.269 -62.567 112.913 -76.627 + 93.712 9.100 0.000 0.000 + 123.431-177.846 138.491-114.322 + 131.539-171.655 114.860-110.812 + 125.109-167.124 111.772-108.870 + 113.759-126.002 127.311-137.541 + 121.566 0.000 153.488-106.069 + # 24 total E -6.81153E+01 rmsd from N 0.000 %NC 0.00 + 93.808 87.431 148.516 -18.095 + 91.812 75.719 141.231 -44.290 + 90.814 82.842 121.407 -70.747 + 89.513 50.989 147.584 -90.848 + 89.563 48.126 101.668 -80.448 + 89.865 54.251 119.442-123.070 + 89.950 45.280 144.909-127.276 + 90.573 65.456 129.209-132.891 + 92.353 35.380 137.131-117.195 + 128.366-150.672 0.000 0.000 + 93.898 49.749 0.000 0.000 + 96.692 166.748 130.354-151.462 + 93.076 109.606 118.686 -75.293 + 93.128 30.190 113.927 -77.832 + 94.807 67.039 0.000 0.000 + 107.627 -61.039 131.636 -63.675 + 121.019 130.351 106.715-107.889 + 91.675 47.229 101.748-112.429 + 93.331 77.052 93.317 -99.685 + 119.697 0.000 121.772 -82.306 + # 25 total E -6.79172E+01 rmsd from N 0.000 %NC 0.00 + 119.256 -89.956 146.760 -9.409 + 119.504-179.304 149.527 -29.943 + 114.746 171.886 108.221 -72.994 + 92.119 62.232 132.395-113.876 + 90.379 40.452 104.155 -98.828 + 91.544 60.495 134.879 43.996 + 90.601 35.461 138.734 -45.564 + 92.097 63.509 132.982-135.927 + 92.998 9.125 140.782-126.251 + 126.423 -27.758 0.000 0.000 + 142.768 -61.038 0.000 0.000 + 128.482 113.200 117.880-114.965 + 125.440 -96.189 121.555 -81.172 + 124.391-177.171 146.527 -43.028 + 133.494 177.373 0.000 0.000 + 126.615 -90.932 131.757-163.987 + 112.616-163.869 97.575 -93.181 + 110.183-114.475 99.245 -91.630 + 117.196-117.538 127.510-137.197 + 94.837 0.000 138.316-126.183 + # 26 total E -6.71603E+01 rmsd from N 0.000 %NC 0.00 + 116.629 167.199 145.109 -10.906 + 91.143 86.512 134.263 -14.741 + 91.777 46.671 176.457-178.815 + 90.460 44.698 146.922-111.367 + 90.163 45.410 116.688-127.160 + 90.992 55.076 125.003 39.282 + 89.846 45.003 140.457-128.843 + 90.939 59.738 128.179-119.790 + 93.201 20.192 146.170 -28.594 + 128.045 -14.645 0.000 0.000 + 132.966 -48.404 0.000 0.000 + 115.265 176.407 127.917-136.926 + 138.697-171.084 125.926 -81.208 + 111.834 -63.329 118.564 -78.100 + 130.702 61.555 0.000 0.000 + 126.995 -86.591 122.147 138.053 + 119.211-148.309 127.327-138.904 + 111.073-109.269 98.421 -92.742 + 117.233-127.977 122.364-128.695 + 120.811 0.000 146.921-143.364 + # 27 total E -6.63869E+01 rmsd from N 0.000 %NC 0.00 + 119.039 -81.813 106.038 -73.533 + 112.623 -87.148 125.068 -40.210 + 99.586-165.513 116.595 -73.418 + 91.544 74.049 135.311-112.618 + 89.933 38.544 95.205 -55.701 + 90.118 57.288 152.256 107.233 + 89.937 49.422 150.661 -33.880 + 90.157 77.376 134.622-143.518 + 92.188 52.636 147.109 -31.038 + 116.588-148.333 0.000 0.000 + 93.529 47.426 0.000 0.000 + 90.320 58.086 130.799-154.808 + 90.137 120.890 112.829 -76.180 + 95.023 15.058 110.765-132.696 + 97.675 83.582 0.000 0.000 + 131.688 -99.682 120.326-132.912 + 129.258 135.181 117.917-117.592 + 132.292-172.624 110.103-102.875 + 116.587-119.925 129.749-141.025 + 120.904 0.000 148.218-113.860 + # 28 total E -6.62940E+01 rmsd from N 0.000 %NC 0.00 + 93.617 18.198 144.301-131.212 + 116.892 178.320 148.239 -21.590 + 112.917 175.671 112.908 -78.461 + 91.926 60.477 144.556-111.502 + 90.546 41.030 93.378 -60.060 + 91.531 54.131 153.562 103.166 + 90.579 46.775 143.509 -91.661 + 90.947 76.196 134.386-139.105 + 92.399 48.724 145.569-148.640 + 95.477 163.262 0.000 0.000 + 93.239 49.869 0.000 0.000 + 90.115 51.758 131.394-156.110 + 91.296-142.566 110.030 -76.781 + 119.378 177.596 146.108 -40.846 + 126.311-174.127 0.000 0.000 + 128.819 -81.833 139.378-170.842 + 118.715-109.599 121.178-128.464 + 119.146-140.122 111.350-111.787 + 115.737 5.851 129.453-139.343 + 93.380 0.000 115.695 -77.097 + # 29 total E -6.61624E+01 rmsd from N 0.000 %NC 0.00 + 93.584 12.223 142.526-124.314 + 120.887 -99.533 134.166 -86.255 + 91.811 64.322 175.650-177.743 + 90.007 52.499 140.161 -89.367 + 89.734 45.591 82.799 -68.711 + 90.165 49.157 131.439 -75.831 + 90.545 47.123 134.938-162.035 + 91.506 72.795 136.258-133.173 + 92.642 26.586 144.141-129.159 + 128.204-149.414 0.000 0.000 + 92.689 42.272 0.000 0.000 + 91.220 178.496 131.374-155.520 + 140.406-174.167 168.193 -79.861 + 113.845-173.901 118.880 -78.264 + 136.681-175.114 0.000 0.000 + 121.870 -69.709 148.765 -33.439 + 119.330-142.068 110.522-110.860 + 106.548 133.367 117.963-127.255 + 120.126 64.267 118.515-123.890 + 93.426 0.000 132.046-126.718 + # 30 total E -6.60312E+01 rmsd from N 0.000 %NC 0.00 + 93.857 93.193 152.295-170.969 + 92.301 145.952 152.208 -24.892 + 126.501 -67.434 133.479-126.343 + 92.154 62.503 169.456-135.354 + 90.503 35.772 120.770 -86.578 + 91.052 63.156 104.510-127.796 + 90.125 37.790 153.660-126.471 + 91.720 66.218 133.739-141.330 + 91.885 -50.246 139.861-117.041 + 112.900-163.675 0.000 0.000 + 149.397 -50.518 0.000 0.000 + 119.199 -92.371 114.962-118.421 + 122.766 96.894 121.082 -80.232 + 93.747 -69.753 111.888 -77.253 + 99.568 -13.489 0.000 0.000 + 115.003 -79.005 140.210 153.630 + 119.375-162.618 122.240-130.324 + 92.879 117.956 108.126-112.243 + 118.825 159.826 120.589-127.123 + 119.677 0.000 145.305-118.472 + # 31 total E -6.58950E+01 rmsd from N 0.000 %NC 0.00 + 93.928 -5.339 138.219 -33.281 + 138.676-101.424 176.444-166.076 + 113.212-103.518 100.474 -97.035 + 92.201 52.508 145.102-118.850 + 91.081 41.131 108.990 -76.247 + 92.780 70.420 141.303 45.530 + 91.190 30.124 150.846 -94.016 + 93.214 79.913 87.209-101.770 + 111.528 -58.095 147.123-149.374 + 96.179 84.370 0.000 0.000 + 122.938 -30.739 0.000 0.000 + 127.796-175.126 108.718-102.774 + 93.200 105.602 114.586 -76.856 + 117.647 -3.819 139.046-112.868 + 135.680 -34.972 0.000 0.000 + 138.969 -82.899 149.791 -67.055 + 111.905-159.902 97.728-111.862 + 93.062 52.354 101.264-103.804 + 93.521 113.487 131.734-153.992 + 93.331 0.000 112.000 -75.056 + # 32 total E -6.56078E+01 rmsd from N 0.000 %NC 0.00 + 93.805 49.373 146.477 -27.322 + 93.311 -83.582 137.153 -35.931 + 111.119-178.152 102.499 -82.488 + 90.908 62.590 133.541-105.567 + 89.543 46.119 106.689-105.241 + 90.674 57.792 130.330 38.961 + 90.593 39.889 152.178-152.994 + 91.728 60.298 126.784-135.125 + 94.007 72.064 138.708-120.411 + 140.726 -82.947 0.000 0.000 + 114.046 -28.134 0.000 0.000 + 97.526 175.121 100.705 -96.759 + 133.300-169.231 130.527 -88.104 + 127.202 -51.902 150.034 -65.539 + 96.197 75.354 0.000 0.000 + 129.763 -79.798 141.543 175.758 + 120.788-160.329 117.428-122.948 + 92.902 55.833 110.840-111.606 + 116.170-119.250 111.975-115.408 + 121.789 0.000 121.413 -81.021 + # 33 total E -6.55282E+01 rmsd from N 0.000 %NC 0.00 + 118.650-153.343 145.914 -18.730 + 121.386-170.561 163.534 171.032 + 127.551 -74.867 154.528 -0.470 + 90.994 55.949 144.618 -94.601 + 90.595 39.605 94.268 -88.635 + 91.584 58.429 147.387 52.519 + 90.074 60.097 141.763-150.564 + 90.534 105.151 134.625-136.750 + 91.171 -19.097 145.620 -40.364 + 97.952 -72.285 0.000 0.000 + 98.652 -23.210 0.000 0.000 + 93.103 103.905 135.187-160.894 + 93.546 132.496 119.107 -75.136 + 130.672-178.734 123.859 -88.177 + 123.915 176.521 0.000 0.000 + 129.184 -77.769 141.694 -94.119 + 119.096-143.825 117.947-124.948 + 101.444 139.634 105.097-100.912 + 120.793 157.577 120.168-125.938 + 120.316 0.000 119.966 -80.846 + # 34 total E -6.53365E+01 rmsd from N 0.000 %NC 0.00 + 119.374-149.563 144.147 -15.007 + 120.754 -95.041 150.763-106.044 + 91.780 62.185 170.589 11.626 + 90.541 47.402 135.313 -99.923 + 90.326 46.246 121.559-123.322 + 89.891 49.322 145.096 98.817 + 90.719 64.816 150.007-161.648 + 90.053 73.075 136.455-133.957 + 91.844 32.534 145.813-134.950 + 117.565-157.752 0.000 0.000 + 93.727 54.697 0.000 0.000 + 92.426 97.988 96.254 -97.257 + 126.392 -88.678 120.079 -82.372 + 121.016-158.187 120.428 -77.938 + 130.224 174.052 0.000 0.000 + 126.711 -96.367 116.797-130.161 + 123.445 134.959 117.022-120.495 + 101.197-109.663 102.648-103.852 + 119.651-137.556 125.752-132.172 + 94.924 0.000 118.231 -80.645 + # 35 total E -6.52297E+01 rmsd from N 0.000 %NC 0.00 + 119.660-119.542 109.637 -78.829 + 118.294 178.971 168.125 -14.097 + 119.610 158.803 168.372 7.770 + 91.736 53.192 150.451-102.754 + 90.917 42.811 98.612 -73.733 + 91.972 56.902 147.231 47.850 + 90.947 34.183 133.450-144.601 + 92.790 62.292 127.558-135.320 + 94.011 60.789 138.169-113.022 + 146.497 -61.988 0.000 0.000 + 119.278 -35.847 0.000 0.000 + 96.606 -42.510 94.169 -91.312 + 92.852 100.540 114.510 -75.893 + 130.161-113.204 117.567 -84.439 + 135.650-176.492 0.000 0.000 + 121.673 -79.287 125.445-121.568 + 121.154-163.037 114.470-117.537 + 123.344-165.586 117.307-115.520 + 106.437 133.776 100.139 -95.264 + 93.600 0.000 115.234 -77.774 + # 36 total E -6.51822E+01 rmsd from N 0.000 %NC 0.00 + 93.784 5.401 146.770 -28.813 + 139.498-144.469 176.459 178.962 + 128.084 -83.814 85.072 -98.965 + 91.898 52.549 147.697-110.151 + 90.786 40.603 115.204 -23.715 + 91.510 52.717 148.251 97.452 + 90.348 42.937 142.006-119.279 + 92.106 76.387 134.771-140.819 + 92.164 -58.713 147.608 -20.480 + 122.761 -30.884 0.000 0.000 + 124.755 -54.846 0.000 0.000 + 120.471 25.522 105.998-104.168 + 90.447 -67.229 127.599-120.349 + 90.200 5.416 117.024 -76.215 + 121.831 -16.069 0.000 0.000 + 126.950 -75.242 109.404 -62.445 + 117.980-109.666 112.882-115.824 + 117.933-139.394 115.463-118.748 + 116.674-118.643 131.256-141.215 + 120.860 0.000 148.973-106.260 + # 37 total E -6.48537E+01 rmsd from N 0.000 %NC 0.00 + 116.611-151.063 152.617-147.813 + 120.889-165.704 159.192 -6.738 + 132.870 -79.212 168.676 159.513 + 91.073 56.997 146.703-104.722 + 90.605 35.356 90.789 -62.598 + 92.111 58.011 149.967 103.711 + 91.363 30.734 150.909 -93.453 + 93.591 79.024 130.513-137.915 + 92.967 -15.448 148.944-145.898 + 115.846 -73.481 0.000 0.000 + 95.925 -23.969 0.000 0.000 + 96.430 163.521 133.191-155.887 + 111.841 179.965 123.621 -82.031 + 95.090 23.801 116.418 -76.054 + 136.983 63.674 0.000 0.000 + 116.009-103.467 84.482 -88.182 + 106.495-169.691 99.892-109.512 + 93.169 120.930 109.961-117.474 + 119.497 -25.671 120.545-127.067 + 93.532 0.000 115.548 -77.254 + # 38 total E -6.48025E+01 rmsd from N 0.000 %NC 0.00 + 117.354-157.424 149.575 -23.571 + 120.617-177.941 150.314 -17.663 + 108.459-176.682 117.010 -79.612 + 91.874 63.753 143.182-104.909 + 90.807 36.104 87.818 -66.507 + 91.801 58.496 153.010 95.374 + 90.445 36.535 147.870-132.523 + 91.952 65.692 132.330-137.597 + 92.184 -26.090 143.152-136.645 + 120.665-102.101 0.000 0.000 + 127.286 -35.548 0.000 0.000 + 91.604 71.846 134.161-160.658 + 90.875 58.616 111.886 -76.210 + 92.705 142.982 108.505 -77.050 + 137.126 -91.713 0.000 0.000 + 127.938 -85.761 116.289-136.404 + 120.669-163.934 114.662-118.467 + 122.747-139.320 110.515-107.699 + 117.586-118.610 125.767-133.004 + 120.830 0.000 148.007-111.940 + # 39 total E -6.46433E+01 rmsd from N 0.000 %NC 0.00 + 93.735 12.462 105.248 -76.781 + 125.303-154.485 163.991-174.260 + 127.399 -76.993 153.944 -3.764 + 91.197 56.204 143.950 -94.016 + 90.243 36.665 99.287 -98.432 + 91.483 61.962 141.233 47.889 + 90.447 36.748 148.113-163.059 + 92.353 59.319 129.631-138.445 + 93.259 -61.890 147.154 -25.835 + 116.067-165.441 0.000 0.000 + 148.416 -31.631 0.000 0.000 + 102.798 -31.478 129.734-148.052 + 91.784 97.671 114.890 -76.219 + 91.881 -14.104 108.713 -77.613 + 106.726 -93.488 0.000 0.000 + 114.525-110.362 122.664 142.826 + 121.494 129.794 134.493-147.555 + 99.264-112.333 103.934 -92.690 + 117.046-121.929 127.356-136.988 + 120.943 0.000 148.027-123.669 + # 40 total E -6.41271E+01 rmsd from N 0.000 %NC 0.00 + 119.272-136.060 110.299 -79.845 + 121.849-107.428 146.921-145.976 + 93.545 95.312 160.546 16.157 + 93.506 29.766 114.670 -94.454 + 91.043 58.313 128.816-135.797 + 90.951 44.534 90.173-141.906 + 90.852 52.301 155.501 -26.205 + 92.038 76.460 129.738-138.072 + 91.268 -75.722 107.260 -74.727 + 94.718 162.715 0.000 0.000 + 134.350 -45.786 0.000 0.000 + 92.882 75.034 92.109 -98.002 + 122.035 -90.773 118.813 -81.156 + 122.879 -66.599 115.668 -80.322 + 116.115 -15.630 0.000 0.000 + 109.654 -71.312 142.053 -38.739 + 117.919-113.012 111.976-115.600 + 117.433-139.400 134.695-146.027 + 127.332 135.318 111.022-104.908 + 119.566 0.000 119.998 -80.445 + # 41 total E -6.39908E+01 rmsd from N 0.000 %NC 0.00 + 94.219 124.857 135.849 -16.224 + 119.652 -90.791 164.015-164.685 + 123.534-150.389 152.382 17.220 + 91.452 54.012 145.238 -96.641 + 90.549 38.795 127.264-120.243 + 91.184 60.741 106.319 -71.117 + 90.326 34.783 151.304-136.749 + 91.682 70.415 117.879 143.325 + 93.411 -12.607 147.261 -37.264 + 123.478 -68.505 0.000 0.000 + 125.724 -27.032 0.000 0.000 + 111.708-151.017 97.286 -93.739 + 131.500-157.842 122.092 -77.657 + 96.464 154.646 117.069 -75.297 + 138.043 -88.874 0.000 0.000 + 110.225 -70.325 149.276 -27.264 + 117.758-169.635 112.544-115.873 + 122.266-119.573 115.020-115.577 + 108.210 112.447 133.369-148.893 + 93.243 0.000 117.740 -82.344 + # 42 total E -6.39859E+01 rmsd from N 0.000 %NC 0.00 + 117.984-151.988 149.742 -21.485 + 120.721-176.534 149.625 -20.089 + 108.153-175.027 114.573 -82.562 + 91.658 62.386 142.785-104.129 + 90.568 39.901 98.686 -86.292 + 92.022 54.525 136.811 51.296 + 90.423 42.327 141.762-125.592 + 91.708 49.218 134.854-145.930 + 94.040 38.092 143.570 -29.350 + 132.165 -0.885 0.000 0.000 + 93.133 50.946 0.000 0.000 + 89.673 47.649 99.995-107.237 + 90.794 135.304 109.577 -78.739 + 89.300 -51.771 112.644 -79.851 + 92.947 -31.740 0.000 0.000 + 121.724-101.163 102.960 -53.377 + 116.799-107.587 133.570-147.834 + 119.479-141.043 108.647-106.778 + 115.255 134.356 129.220-139.775 + 118.695 0.000 141.442-114.950 + # 43 total E -6.39852E+01 rmsd from N 0.000 %NC 0.00 + 111.776 156.750 146.103-131.130 + 92.803 111.506 158.750 -36.290 + 127.257 -91.252 151.788 -14.252 + 91.043 55.051 151.035-105.182 + 90.638 36.752 104.918 -98.999 + 91.563 59.099 152.568 101.391 + 89.973 43.645 146.762-122.626 + 91.039 65.098 133.170-141.838 + 91.940 -30.606 148.150 -22.465 + 118.489-116.762 0.000 0.000 + 140.148-159.141 0.000 0.000 + 121.105 160.916 110.206-108.517 + 93.789 102.867 114.433 -77.759 + 93.874 7.151 114.517 -77.595 + 119.719 -70.093 0.000 0.000 + 111.048-142.677 155.860 -93.833 + 118.396-109.582 130.277-144.980 + 124.233-147.133 102.402 -96.582 + 115.053-140.025 121.435-129.183 + 120.966 0.000 152.549-148.992 + # 44 total E -6.39315E+01 rmsd from N 0.000 %NC 0.00 + 118.287 163.195 136.367 -6.570 + 92.384 108.095 144.012-112.511 + 131.936 -87.734 138.945 112.037 + 92.356 52.166 148.638-115.794 + 90.928 36.208 102.441 -48.688 + 92.186 53.088 142.189 92.323 + 90.477 47.861 138.760-133.904 + 90.881 62.091 137.997-128.241 + 92.180 11.560 144.102-144.541 + 119.212 -13.196 0.000 0.000 + 136.263 -54.524 0.000 0.000 + 124.959 175.356 119.864-119.689 + 131.227-171.487 122.856 -79.277 + 123.943 -56.655 148.802 -65.845 + 136.292 72.634 0.000 0.000 + 126.762 -85.555 141.867 177.089 + 121.227-168.456 116.757-122.108 + 92.678 52.261 105.934-105.338 + 93.374 98.685 127.276-149.010 + 93.324 0.000 112.721 -76.673 + # 45 total E -6.36566E+01 rmsd from N 0.000 %NC 0.00 + 117.640-124.545 154.570-151.375 + 118.694 177.535 147.022 -27.585 + 124.638 -75.717 120.493 -82.419 + 92.214 66.674 166.178-140.286 + 90.152 39.822 125.102 -83.347 + 90.114 56.956 107.730-134.348 + 89.733 44.507 143.797 -27.731 + 90.057 66.832 134.854-137.498 + 91.071 23.199 137.152-114.045 + 111.932-154.310 0.000 0.000 + 93.582 50.075 0.000 0.000 + 97.624 176.727 95.762 -94.019 + 120.707-178.901 144.211 -55.327 + 93.723 55.190 115.694 -76.327 + 95.639 122.189 0.000 0.000 + 124.755 175.026 121.199 -49.453 + 93.682 122.582 95.564-120.308 + 123.873-112.318 132.913-141.450 + 93.642 60.365 91.143 -91.410 + 93.341 0.000 111.762 -80.930 + # 46 total E -6.36426E+01 rmsd from N 0.000 %NC 0.00 + 94.021 91.274 136.321 -10.517 + 91.941 69.582 149.811-139.085 + 89.678 60.511 121.285 -30.599 + 88.860 49.109 150.780-103.999 + 89.411 40.830 91.320 -59.696 + 90.524 53.965 149.034 114.062 + 90.629 40.149 141.504 -50.649 + 91.766 57.963 133.436-141.153 + 92.880 14.174 143.579-126.741 + 131.208 -61.429 0.000 0.000 + 135.689 -30.994 0.000 0.000 + 129.780 121.400 116.979-113.028 + 120.513 -94.350 118.138 -75.177 + 125.799-162.831 149.986 -75.632 + 138.351 -96.930 0.000 0.000 + 118.950-109.674 98.435-121.935 + 103.177 130.673 101.921-117.058 + 93.260 123.627 102.717-118.191 + 116.380 66.845 127.203-138.696 + 117.657 0.000 143.243-112.336 + # 47 total E -6.35697E+01 rmsd from N 0.000 %NC 0.00 + 117.924-164.196 145.808 -19.932 + 107.920 164.401 123.969 -61.386 + 93.099 70.551 131.983-113.324 + 93.349 51.194 144.267-104.724 + 91.802 38.776 134.292-177.286 + 91.582 56.427 106.072-103.680 + 90.285 38.075 138.183-149.016 + 92.067 71.916 130.703-141.749 + 92.558 -60.526 144.534 -38.050 + 124.260 -22.475 0.000 0.000 + 123.507 -47.234 0.000 0.000 + 109.766 161.474 124.526-135.328 + 94.231 90.699 108.152 -77.791 + 141.739-111.803 124.601 -84.318 + 114.020-178.784 0.000 0.000 + 131.866 -98.753 137.361-144.174 + 122.365 134.525 119.961-127.777 + 99.835-174.670 102.504 -97.863 + 117.344 -14.345 129.028-141.653 + 119.129 0.000 120.430 -80.079 + # 48 total E -6.32999E+01 rmsd from N 0.000 %NC 0.00 + 93.618 48.226 143.947-132.903 + 93.263 178.434 143.732 -22.838 + 107.752 175.850 172.913-176.136 + 90.992 52.630 152.957-109.561 + 90.531 38.422 111.432 -91.465 + 92.774 56.305 116.599 40.099 + 91.116 33.732 136.921-131.797 + 92.840 81.145 129.664-143.829 + 95.331 -44.760 146.261-142.425 + 98.383 86.610 0.000 0.000 + 92.984 36.847 0.000 0.000 + 94.106 171.923 128.020-149.123 + 122.488 179.221 147.807-137.712 + 125.172-179.359 121.684 -80.153 + 127.029 172.180 0.000 0.000 + 128.993 -94.917 121.993 -51.415 + 117.981-108.295 118.385-124.754 + 119.157-141.163 110.823-110.341 + 114.817 134.420 129.828-141.063 + 118.714 0.000 142.249-111.443 + # 49 total E -6.32458E+01 rmsd from N 0.000 %NC 0.00 + 94.095 124.372 136.670 0.592 + 92.305 65.299 133.968 -47.267 + 119.348 154.408 171.181 145.305 + 90.690 50.717 148.943-102.471 + 90.122 40.232 88.518 -63.338 + 91.484 55.211 176.455 165.613 + 90.523 40.241 143.225-138.630 + 91.608 72.898 131.033-136.732 + 92.243 -1.865 139.868-121.945 + 121.175 -78.132 0.000 0.000 + 121.863 -28.598 0.000 0.000 + 117.198-146.658 120.021-124.444 + 131.255-153.333 127.094 -82.024 + 108.736 10.832 118.201 -77.809 + 115.280 -58.281 0.000 0.000 + 123.203-118.428 139.848 -10.273 + 115.510 131.868 124.427-137.485 + 92.580 126.791 121.350-141.379 + 93.260 37.840 99.703-112.304 + 93.273 0.000 111.886 -79.173 + # 50 total E -6.32197E+01 rmsd from N 0.000 %NC 0.00 + 93.540 51.416 135.985 -90.721 + 92.816 97.027 147.533-172.981 + 115.247 -45.363 176.389 164.733 + 89.973 70.887 133.585-102.808 + 89.894 37.739 87.762 -89.802 + 90.783 53.650 166.310 30.819 + 90.568 40.559 141.770 -40.350 + 91.859 74.585 137.137-137.464 + 92.240 10.760 139.844-123.278 + 122.485-162.825 0.000 0.000 + 107.739 -16.991 0.000 0.000 + 92.869 93.305 131.548-155.035 + 120.182 -82.698 114.730 -80.540 + 127.090-167.575 150.025 -62.613 + 128.090-170.360 0.000 0.000 + 121.703 -64.865 148.657 -40.658 + 120.729-141.561 108.889-108.730 + 109.413 140.355 113.091-119.178 + 120.457-119.106 120.533-127.585 + 120.758 0.000 146.903-115.099 + # 51 total E -6.28584E+01 rmsd from N 0.000 %NC 0.00 + 93.760 104.452 106.784 -73.233 + 92.317 73.877 146.741 -51.441 + 93.334 113.723 163.099 15.509 + 108.355 -67.359 141.060-112.459 + 91.037 75.417 111.733 -28.289 + 91.410 39.208 97.148 -83.776 + 91.280 68.930 152.633 -37.925 + 90.888 89.544 145.766-141.625 + 94.020 -24.903 147.468-110.451 + 98.692 89.528 0.000 0.000 + 131.296 -51.812 0.000 0.000 + 128.244 179.046 108.807-102.138 + 119.956 178.851 118.750 -79.377 + 123.614 -63.200 138.831-135.013 + 127.341 -20.837 0.000 0.000 + 126.419 -84.074 114.414 -57.381 + 117.793-108.765 118.686-125.175 + 118.964-138.719 110.595-110.250 + 116.976-118.723 128.668-138.115 + 121.782 0.000 121.659 -80.820 + # 52 total E -6.28582E+01 rmsd from N 0.000 %NC 0.00 + 93.600 46.293 143.671-132.994 + 91.962 89.509 136.895 -18.937 + 92.494 42.878 176.446-177.871 + 90.830 46.489 142.820 -99.927 + 90.361 45.762 115.449-129.247 + 90.805 48.035 149.688 35.623 + 90.692 50.837 139.386-139.288 + 90.934 73.032 113.036 135.525 + 92.566 28.512 140.819-102.937 + 153.349 76.523 0.000 0.000 + 126.109 -44.221 0.000 0.000 + 90.649 67.558 133.963-160.176 + 90.886 9.019 111.970 -75.812 + 109.186 -84.305 117.682 -78.097 + 134.186 -26.615 0.000 0.000 + 119.513 -65.035 123.383 135.208 + 118.547-120.158 110.123-113.095 + 118.783-141.103 121.640-127.080 + 110.491 134.147 136.189-150.904 + 119.467 0.000 119.318 -80.719 + # 53 total E -6.28271E+01 rmsd from N 0.000 %NC 0.00 + 116.667-140.403 152.455-148.056 + 120.422 179.475 151.631 -18.579 + 114.143 166.749 168.416 171.496 + 90.609 70.069 148.128-109.607 + 89.215 42.540 96.771 -69.026 + 89.573 72.596 141.325-123.597 + 89.537 62.703 135.451 -34.144 + 88.370 62.587 114.043-131.363 + 91.257 34.631 98.848 -87.718 + 115.225-150.683 0.000 0.000 + 128.525 -20.162 0.000 0.000 + 91.774 63.974 100.840 -99.348 + 90.903 40.381 111.549 -76.454 + 94.193-179.105 112.322 -77.996 + 126.912 171.745 0.000 0.000 + 128.608 -87.984 167.586-155.454 + 105.646 133.379 92.561-120.067 + 121.765-173.268 117.875-120.496 + 115.830 -7.410 130.345-140.879 + 93.526 0.000 135.776-114.579 + # 54 total E -6.28138E+01 rmsd from N 0.000 %NC 0.00 + 118.207 -83.293 149.670 -11.461 + 122.639 -93.919 153.254 -15.728 + 121.592 -73.115 110.765 -86.033 + 92.201 62.348 155.555-102.093 + 90.878 34.370 97.291 -51.479 + 92.155 56.579 141.729 90.468 + 90.301 56.402 138.563-139.943 + 91.201 65.378 140.994-130.825 + 92.481 123.846 147.646 -25.093 + 137.482 -88.791 0.000 0.000 + 122.939 -28.900 0.000 0.000 + 109.961 117.872 130.434-144.107 + 131.989 -88.151 121.753 -81.513 + 124.290 -50.286 121.040 -79.761 + 127.938 -23.385 0.000 0.000 + 129.759-107.220 109.667 -48.697 + 116.730-107.106 125.916-135.860 + 120.052-137.568 111.891-110.470 + 93.359 73.376 98.587 -99.840 + 93.294 0.000 112.407 -77.946 + # 55 total E -6.28135E+01 rmsd from N 0.000 %NC 0.00 + 118.990-146.921 108.545 -78.509 + 113.759 170.392 146.132 -26.966 + 121.867 174.933 114.309-104.875 + 114.989 89.093 152.490-136.285 + 91.253 -58.892 112.890 -40.895 + 92.288 111.248 129.082 -51.547 + 91.063 46.734 135.632-134.615 + 92.022 93.277 74.359 -83.161 + 92.057 -13.549 151.168-139.617 + 104.573 -73.222 0.000 0.000 + 94.477 -19.461 0.000 0.000 + 97.373 172.189 134.789-159.422 + 125.390-179.144 119.828 -81.498 + 123.029-179.034 145.946 -60.910 + 126.872 172.394 0.000 0.000 + 128.964 -93.535 123.218 -52.568 + 117.823-109.258 121.019-129.691 + 112.995-141.183 100.765 -93.516 + 116.915 5.366 127.348-137.332 + 93.388 0.000 115.565 -77.037 + # 56 total E -6.26599E+01 rmsd from N 0.000 %NC 0.00 + 116.814-172.604 148.444 -21.970 + 103.087 145.256 119.771 -52.693 + 91.562 57.949 97.088 -93.555 + 90.635 41.610 153.381-100.874 + 90.003 46.075 132.615-151.975 + 89.603 49.493 136.543 101.253 + 90.216 53.349 146.796-124.829 + 90.944 73.757 135.832-148.458 + 91.789 -32.924 149.345 -17.356 + 109.583-165.162 0.000 0.000 + 151.433 -56.914 0.000 0.000 + 116.483 -77.596 121.205-128.062 + 128.733 -13.802 152.664 -95.420 + 96.338 35.042 116.082 -76.703 + 152.263 -49.718 0.000 0.000 + 128.400 -73.567 145.762 -42.356 + 120.024-141.668 112.098-110.947 + 108.351 135.462 114.679-122.422 + 124.091 -37.972 122.328-128.232 + 120.632 0.000 120.890 -82.023 + # 57 total E -6.24275E+01 rmsd from N 0.000 %NC 0.00 + 115.963 164.295 146.080 -14.471 + 91.532 86.907 138.911 -18.942 + 92.044 43.491 176.442-178.132 + 90.695 47.033 141.066 -98.699 + 90.790 42.899 116.759-129.651 + 90.738 49.215 145.884 98.007 + 90.429 62.857 143.343-150.981 + 89.964 79.190 134.473-121.151 + 91.446 21.510 100.940 -77.722 + 110.209-156.987 0.000 0.000 + 93.382 50.142 0.000 0.000 + 92.797 129.236 94.709 -88.253 + 127.369 -88.127 119.728 -80.671 + 94.734 76.990 114.351 -76.016 + 135.909 -22.623 0.000 0.000 + 121.295 -79.742 120.034-137.251 + 121.173-161.712 114.458-117.754 + 120.472-112.277 113.995-112.236 + 117.658-118.761 124.157-130.409 + 120.950 0.000 147.790-113.738 + # 58 total E -6.23874E+01 rmsd from N 0.000 %NC 0.00 + 118.757-153.341 145.225 -19.444 + 120.278 179.568 151.691-124.951 + 125.458 171.784 110.471 -88.306 + 92.168 66.734 134.070 -92.819 + 90.362 36.710 112.810-116.738 + 90.031 59.986 98.495-133.852 + 89.884 36.611 149.960 149.513 + 91.323 60.517 131.797-132.513 + 92.204 -18.441 135.888-110.376 + 119.195-131.505 0.000 0.000 + 94.007 44.293 0.000 0.000 + 93.578 126.687 99.006 -97.410 + 130.161-123.436 117.442 -80.841 + 123.814-173.087 121.375 -80.060 + 144.386-175.579 0.000 0.000 + 121.046 -73.034 154.928 -17.831 + 119.321-163.411 115.102-118.896 + 93.435 118.753 109.301-115.592 + 105.418-120.860 98.575-101.269 + 120.630 0.000 145.187-121.941 + # 59 total E -6.20749E+01 rmsd from N 0.000 %NC 0.00 + 118.555-166.855 104.975 -68.847 + 92.350 74.028 154.633-153.145 + 119.060 148.952 176.459 158.694 + 90.976 45.141 154.117-101.860 + 90.794 45.681 90.468 -61.870 + 91.040 49.921 152.292 90.626 + 90.286 56.068 135.333-128.834 + 89.676 90.144 115.394 171.359 + 92.910 -48.936 100.289 -76.295 + 96.650 94.953 0.000 0.000 + 118.943 -24.307 0.000 0.000 + 120.895-149.361 108.358-106.193 + 93.690 103.076 114.911 -76.811 + 118.732-114.831 117.406 -80.945 + 126.354 175.630 0.000 0.000 + 123.770-108.782 129.544-121.990 + 125.956 132.241 119.589-122.554 + 126.169-113.615 112.516-108.998 + 122.399 6.724 119.453-121.817 + 118.640 0.000 119.855 -80.385 + # 60 total E -6.19580E+01 rmsd from N 0.000 %NC 0.00 + 114.611 -37.991 111.841 -80.965 + 93.085 114.813 158.755-142.866 + 122.476 -93.266 134.273-115.331 + 91.380 55.889 152.201 -96.380 + 90.912 34.617 90.582 -66.215 + 92.419 54.153 155.661 102.160 + 90.891 39.526 146.711-114.020 + 91.958 74.871 141.940-139.367 + 91.870 -0.945 144.805-140.921 + 113.399 -78.358 0.000 0.000 + 122.536-141.428 0.000 0.000 + 103.044 165.211 100.840 -91.324 + 93.449 101.400 131.520-135.283 + 93.943 -23.621 113.822 -78.237 + 124.327 -34.195 0.000 0.000 + 129.004 -78.763 142.233-172.709 + 118.056-109.636 111.261-115.103 + 118.300-140.883 119.958-124.169 + 113.081-112.116 100.016 -91.455 + 121.006 0.000 120.176 -79.782 + # 61 total E -6.19530E+01 rmsd from N 0.000 %NC 0.00 + 118.482-143.765 148.251 -18.719 + 116.811 177.554 163.057 -17.019 + 91.392 79.674 118.635 -40.920 + 89.240 49.355 142.582 -99.666 + 89.579 43.417 81.619 -73.411 + 90.250 51.023 146.906 115.996 + 90.255 46.606 139.947 -41.971 + 91.358 55.780 134.618-137.367 + 93.584 95.141 142.948-124.412 + 139.133 -96.289 0.000 0.000 + 111.834 -16.182 0.000 0.000 + 92.171 99.261 102.890-103.643 + 92.130 135.434 110.810 -77.050 + 93.699 68.724 115.769 -78.303 + 140.684 -33.468 0.000 0.000 + 128.773 -86.459 109.165 -63.848 + 121.080 133.772 121.046-127.467 + 125.647-173.715 115.078-113.337 + 115.742 -7.382 131.236-143.286 + 93.448 0.000 115.772 -77.068 + # 62 total E -6.18892E+01 rmsd from N 0.000 %NC 0.00 + 93.715 53.144 110.058 -80.952 + 92.914 165.893 149.305-131.400 + 113.584 155.078 155.424 -3.725 + 92.137 66.675 142.850-108.393 + 90.379 42.492 104.983 -44.619 + 90.925 49.158 148.497 106.626 + 90.568 56.855 144.043 -85.180 + 90.418 98.819 132.447-113.664 + 91.712 -49.175 105.276 -87.262 + 96.490 80.015 0.000 0.000 + 138.906 -63.741 0.000 0.000 + 134.041 170.579 109.300-100.654 + 130.074 176.597 126.526 -78.736 + 114.141-174.388 118.823 -78.641 + 139.660 179.448 0.000 0.000 + 120.906 -72.053 139.257 -46.058 + 111.678 135.990 118.571-128.881 + 127.912-170.786 110.020-105.492 + 108.641-137.855 100.345 -97.706 + 123.737 0.000 122.721 -84.348 + # 63 total E -6.18311E+01 rmsd from N 0.000 %NC 0.00 + 93.955 130.220 145.251 -9.155 + 118.057-168.325 143.352 -19.952 + 123.147 175.077 140.450 128.955 + 113.657 83.873 131.432-114.149 + 90.408 -61.555 126.829 -86.518 + 92.323 118.514 143.264 -35.701 + 91.507 82.144 133.893-119.523 + 91.146 89.258 138.264-129.017 + 92.773 35.411 111.551 -83.709 + 127.475 -75.108 0.000 0.000 + 137.003 -58.423 0.000 0.000 + 93.418 71.623 101.965-101.774 + 94.099 145.376 113.822 -77.124 + 127.071 -80.205 120.963 -77.802 + 133.931 -20.144 0.000 0.000 + 127.887 -82.232 96.154 -68.575 + 115.596 137.487 119.444-128.868 + 93.560 129.383 100.654-100.850 + 117.599-122.014 128.414-140.365 + 122.169 0.000 121.513 -81.596 + # 64 total E -6.17088E+01 rmsd from N 0.000 %NC 0.00 + 93.930 94.404 140.643 -19.613 + 92.790 125.945 150.076-156.958 + 119.132-169.324 173.265 170.341 + 91.117 78.650 175.684 160.450 + 89.812 52.154 102.965 -60.798 + 90.003 47.613 85.125 -86.208 + 90.580 50.272 149.402 -32.248 + 90.941 78.861 136.736-144.451 + 91.828 8.620 148.191 -30.899 + 115.203 -85.404 0.000 0.000 + 123.878 -30.673 0.000 0.000 + 116.030-146.924 120.013-125.153 + 131.404-174.118 120.347 -82.733 + 94.140 84.635 115.719 -76.380 + 132.260 -13.516 0.000 0.000 + 115.693 -70.572 143.063 -40.854 + 121.551 137.238 118.966-123.915 + 103.154-102.879 104.291 -95.221 + 119.573-116.732 110.844-114.546 + 94.745 0.000 116.806 -78.019 + # 65 total E -6.15820E+01 rmsd from N 0.000 %NC 0.00 + 116.544-140.660 152.207-149.029 + 123.065-177.585 159.714-153.220 + 123.341 174.816 107.982 -77.652 + 92.179 59.820 134.766-110.105 + 90.449 40.306 103.089 -97.903 + 91.954 59.297 135.027 45.038 + 90.791 35.550 141.287 -46.410 + 92.544 62.509 131.139-135.623 + 93.910 48.782 139.703-122.464 + 143.694 -66.756 0.000 0.000 + 130.398 -25.190 0.000 0.000 + 116.601 122.321 127.752-135.958 + 125.469 -97.156 118.142 -79.458 + 126.987 -61.174 120.508 -79.952 + 124.965 -21.865 0.000 0.000 + 127.306-105.215 115.909 -50.673 + 116.654 135.837 126.172-137.386 + 97.993-172.659 104.481 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89.805 52.706 168.915-179.707 + 89.507 54.137 137.942 -44.390 + 89.801 86.938 128.915-132.126 + 91.033 4.975 106.813 -85.677 + 105.744 -93.241 0.000 0.000 + 102.746 -26.361 0.000 0.000 + 97.306-177.908 98.550 -93.473 + 124.932-176.064 124.653 -84.012 + 93.839 57.662 115.841 -76.215 + 95.447 102.590 0.000 0.000 + 116.099-173.934 120.077 -66.007 + 93.551 123.329 100.662-137.356 + 92.725 132.613 119.494-137.394 + 93.543 34.699 101.335-110.010 + 93.323 0.000 115.003 -77.254 + # 68 total E -6.12456E+01 rmsd from N 0.000 %NC 0.00 + 93.723 113.127 147.694 -35.496 + 124.764-103.018 139.373 -86.583 + 92.182 74.369 176.436-178.367 + 91.362 53.855 139.715 -87.651 + 90.803 41.537 111.859-104.996 + 90.896 48.921 99.227-126.183 + 90.394 44.389 140.070-154.908 + 90.597 46.443 140.227-143.428 + 92.827 64.321 146.858 -31.447 + 136.068 -43.182 0.000 0.000 + 93.911 89.797 0.000 0.000 + 99.423 -40.191 98.278-105.101 + 95.689 76.184 114.555 -76.678 + 130.997-123.284 118.850 -82.934 + 125.019 177.478 0.000 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143.514-169.007 + 91.032 128.007 124.095 129.837 + 93.903 -48.411 111.437-141.639 + 97.566 64.744 0.000 0.000 + 131.647-113.249 124.533 -53.211 + 114.514 134.429 117.511-125.902 + 136.701-110.569 109.991-102.415 + 117.726-119.398 112.742-117.010 + 94.737 0.000 117.862 -77.365 + # 72 total E -6.09479E+01 rmsd from N 0.000 %NC 0.00 + 93.901 128.207 145.165 -16.828 + 115.949-118.826 147.974 -30.377 + 91.425 63.019 142.344 -85.730 + 89.843 44.121 143.911 -94.227 + 90.289 45.826 101.775 -74.047 + 91.097 44.608 141.780 50.037 + 90.852 49.538 130.527-160.146 + 91.101 70.280 139.736-132.982 + 92.069 135.561 140.284-120.675 + 116.589 38.500 0.000 0.000 + 93.143 40.831 0.000 0.000 + 95.388 176.146 130.599-152.257 + 126.309-167.988 123.053 -76.130 + 117.510 -94.299 118.039 -79.179 + 96.854 165.745 0.000 0.000 + 122.548-114.350 125.694 -37.211 + 122.237 134.634 118.011-122.356 + 126.042 146.133 117.639-117.516 + 120.785 152.439 124.087-129.624 + 120.179 0.000 152.104-121.191 + # 73 total E -6.09373E+01 rmsd from N 0.000 %NC 0.00 + 116.615-141.265 152.234-148.662 + 121.858-179.946 159.745-152.073 + 112.828 162.744 159.067 -2.443 + 92.641 57.868 147.266-107.198 + 91.017 37.418 104.848 -55.845 + 91.663 54.650 160.402 50.094 + 90.792 57.877 137.277-147.174 + 91.891 73.287 128.860-114.557 + 91.810 -83.167 98.336 -70.137 + 94.222 156.325 0.000 0.000 + 136.180 -53.736 0.000 0.000 + 92.650 68.167 90.234 -91.191 + 118.215 -80.860 117.680 -82.550 + 121.198 -76.424 120.137 -79.298 + 121.270-175.021 0.000 0.000 + 130.055 -78.211 149.984 70.631 + 117.754-107.513 117.376-124.463 + 119.257-137.553 110.446-110.036 + 117.535-118.711 124.977-131.856 + 121.852 0.000 121.622 -80.950 + # 74 total E -6.07858E+01 rmsd from N 0.000 %NC 0.00 + 118.349-154.200 148.586 -16.304 + 119.010-121.136 139.868 -84.719 + 91.965 60.703 176.227 176.588 + 90.409 40.947 144.251-100.327 + 90.350 48.006 107.428 -59.471 + 90.633 47.467 139.358 101.875 + 90.187 49.774 141.780-120.779 + 90.278 66.896 134.550-139.307 + 91.792 40.305 150.272 -17.748 + 95.079 72.977 0.000 0.000 + 94.455 61.082 0.000 0.000 + 91.981 -87.029 88.569 -92.664 + 94.377 -28.669 114.836 -76.000 + 122.346-163.949 120.701 -79.543 + 135.602 -92.735 0.000 0.000 + 119.887 -83.008 113.829 -55.733 + 117.674-109.453 113.899-118.061 + 117.828-140.760 117.187-119.511 + 114.568 5.758 132.665-144.745 + 93.376 0.000 115.560 -76.984 + # 75 total E -6.06120E+01 rmsd from N 0.000 %NC 0.00 + 120.270-129.829 103.353 -70.610 + 92.513 108.370 155.009-150.403 + 124.474 -94.116 142.108 -30.175 + 92.041 57.618 146.208 -98.872 + 90.989 34.877 120.991-110.948 + 92.180 54.208 161.430 105.522 + 91.235 41.160 148.487-130.708 + 92.666 91.470 139.936-135.284 + 92.009 -10.221 148.242-154.084 + 104.284 -76.547 0.000 0.000 + 98.970 -19.532 0.000 0.000 + 93.396 96.665 133.524-157.895 + 127.249-104.628 122.236 -80.469 + 130.135-178.904 124.925 -78.391 + 115.030 50.853 0.000 0.000 + 109.748 -77.124 146.604 42.092 + 118.675-166.717 118.551-123.951 + 92.666 51.122 128.473-150.432 + 93.143 43.997 130.333-153.562 + 93.408 0.000 136.604 -95.274 + # 76 total E -6.02524E+01 rmsd from N 0.000 %NC 0.00 + 119.398-108.446 159.796-147.974 + 123.201-167.261 175.109-163.619 + 90.873 79.992 121.939 -32.050 + 91.222 49.781 132.826-102.208 + 90.035 44.361 117.090-110.210 + 90.050 56.886 99.701-134.747 + 90.066 40.861 145.381 -36.887 + 91.100 68.493 137.567-130.248 + 92.243 11.100 138.216-115.074 + 124.366 -66.790 0.000 0.000 + 126.055 -42.074 0.000 0.000 + 120.779 160.375 118.196-120.118 + 121.312-127.762 120.074 -79.063 + 119.668 117.498 148.872 -81.713 + 124.679 -31.730 0.000 0.000 + 94.061 156.976 104.756 -37.171 + 115.820 140.670 123.762-133.671 + 122.550-173.180 113.576-112.041 + 116.543-119.068 131.365-143.854 + 121.351 0.000 148.989-107.138 + # 77 total E -6.01549E+01 rmsd from N 0.000 %NC 0.00 + 116.800-138.491 152.177-150.576 + 119.262 174.320 168.504 -16.095 + 126.166 149.025 165.023 15.661 + 91.674 63.392 145.607-111.864 + 90.261 43.261 101.241 -49.486 + 90.275 52.221 150.085 98.091 + 90.488 45.627 144.129-124.091 + 91.597 82.206 134.602-139.067 + 94.441 -38.898 147.084-159.595 + 98.328 88.050 0.000 0.000 + 121.030 -41.050 0.000 0.000 + 129.200 149.029 103.476 -97.414 + 93.674 105.023 113.997 -76.187 + 95.080 16.201 114.678 -77.613 + 140.778 -36.408 0.000 0.000 + 122.322 -62.087 146.735 -48.117 + 117.239-146.074 111.824-116.376 + 121.477 15.358 114.641-115.401 + 93.465 106.930 102.016-107.367 + 119.428 0.000 118.870 -82.120 + # 78 total E -6.00413E+01 rmsd from N 0.000 %NC 0.00 + 119.019 -74.438 144.434 -5.676 + 122.240 -90.390 144.139 -30.234 + 122.305 -53.134 175.463 160.950 + 91.648 61.955 145.996-107.054 + 90.662 32.326 115.334 -89.564 + 92.311 58.728 128.387 37.667 + 90.737 34.870 133.961-163.425 + 92.756 67.903 135.115-136.314 + 92.219 -59.268 140.054-124.494 + 111.276-167.455 0.000 0.000 + 147.509 -41.414 0.000 0.000 + 117.598-154.358 124.847-133.203 + 124.239-177.971 148.447 -97.905 + 124.990 -63.930 149.211 -69.920 + 128.302 -22.657 0.000 0.000 + 128.140 -80.447 142.191 179.174 + 118.472-109.677 116.927-123.295 + 119.331-139.976 111.053-110.816 + 116.538 5.792 127.779-136.291 + 93.465 0.000 135.311-116.104 + # 79 total E -5.96475E+01 rmsd from N 0.000 %NC 0.00 + 93.767 119.706 147.630-173.250 + 107.711-171.077 151.076 -21.622 + 93.094 68.447 135.657 -91.837 + 91.148 38.471 145.455 -90.471 + 90.048 49.829 97.696 -59.756 + 89.952 56.356 128.108-106.363 + 89.364 45.171 132.681 176.149 + 90.916 65.244 123.362-128.635 + 91.727 -58.568 137.520-132.861 + 118.168 -73.393 0.000 0.000 + 140.979 -37.779 0.000 0.000 + 103.349 -31.479 93.006 -90.561 + 91.891 98.488 114.355 -76.506 + 93.115 -5.540 108.794 -79.516 + 122.025 -23.015 0.000 0.000 + 119.030 95.544 114.302 -45.846 + 129.627-163.750 115.695-116.898 + 94.527 119.365 95.451 -95.138 + 126.566 -33.072 113.799-111.836 + 120.145 0.000 119.603 -81.853 + # 80 total E -5.95906E+01 rmsd from N 0.000 %NC 0.00 + 120.428-135.425 142.296 -13.123 + 122.584-105.262 162.486-131.519 + 129.589 -88.885 95.128-100.935 + 92.838 45.567 161.304-131.329 + 90.853 44.596 111.597 -62.333 + 91.548 60.682 143.232 41.547 + 90.268 37.382 138.475-135.506 + 91.232 56.808 111.528 125.237 + 92.886 39.108 141.730-108.990 + 126.312-159.317 0.000 0.000 + 128.899 -12.905 0.000 0.000 + 114.138-139.839 86.461 -69.883 + 92.166 88.322 116.577 -76.338 + 93.087 33.748 116.821 -75.585 + 123.055 -7.873 0.000 0.000 + 119.496 -78.183 136.022-150.937 + 122.169-157.448 113.591-114.659 + 102.626 141.054 127.023-142.296 + 124.871-120.632 119.208-119.279 + 94.833 0.000 133.502-143.062 + # 81 total E -5.94554E+01 rmsd from N 0.000 %NC 0.00 + 93.706 28.170 105.612 -79.797 + 92.633 168.520 155.214-156.598 + 92.147 77.408 176.460-177.591 + 90.916 50.782 139.385 -87.814 + 90.326 43.265 118.964-104.288 + 90.242 52.061 99.754-129.946 + 89.844 43.680 143.462 -43.766 + 90.186 63.428 134.703-136.062 + 91.701 39.558 136.975-112.180 + 96.142 76.251 0.000 0.000 + 129.213 -58.740 0.000 0.000 + 106.780 172.567 98.596 -90.918 + 125.697-179.728 121.386 -80.558 + 124.828-178.918 149.010 -66.418 + 127.220 174.176 0.000 0.000 + 128.577 -83.955 141.215 -45.907 + 119.557-160.822 118.958-125.544 + 93.740 117.862 106.906-104.557 + 119.547 64.462 118.380-122.841 + 93.336 0.000 115.184 -77.466 + # 82 total E -5.91161E+01 rmsd from N 0.000 %NC 0.00 + 93.770 43.177 146.681 -30.162 + 93.541-128.091 136.248 -32.541 + 91.018 59.250 126.651 109.264 + 89.049 43.264 153.789 -94.835 + 89.915 47.708 106.597 -64.729 + 90.463 49.018 120.541 49.189 + 90.210 45.622 135.825-132.867 + 91.174 61.338 133.745-131.886 + 93.017 30.738 148.613 -22.693 + 127.266 -70.371 0.000 0.000 + 132.143 -41.265 0.000 0.000 + 119.792-173.519 119.672-122.600 + 127.468-126.250 128.374 -78.398 + 93.857 40.554 115.458 -76.180 + 95.681 72.139 0.000 0.000 + 122.899 -83.727 114.377 -54.754 + 115.939 134.091 117.502-126.163 + 121.019-171.865 121.570-125.053 + 110.536-119.071 99.227 -89.815 + 120.847 0.000 147.662-110.162 + # 83 total E -5.90362E+01 rmsd from N 0.000 %NC 0.00 + 116.563-143.452 152.144-148.526 + 116.533 174.233 151.952 -22.672 + 91.977 75.414 116.132-109.443 + 90.106 43.202 147.276-110.549 + 90.379 45.294 92.711 -56.014 + 91.210 47.513 136.495 83.385 + 91.042 45.414 133.847-130.201 + 91.892 81.296 134.600-139.808 + 95.062 -43.791 146.144-165.566 + 98.512 84.970 0.000 0.000 + 92.987 40.362 0.000 0.000 + 90.157 58.391 128.941-152.887 + 91.106 157.615 129.424-104.717 + 116.789 -66.036 126.737-164.804 + 124.750 -20.153 0.000 0.000 + 125.961 -90.030 115.868 -60.402 + 119.268 133.472 118.022-124.447 + 123.333-112.477 117.174-117.844 + 121.826 15.002 118.747-120.208 + 93.366 0.000 115.438 -77.215 + # 84 total E -5.90288E+01 rmsd from N 0.000 %NC 0.00 + 118.602 177.459 139.943 -6.403 + 91.116 74.897 144.123-128.103 + 91.352 54.405 176.468-179.791 + 89.457 48.453 142.921 -92.076 + 89.718 47.453 114.964-126.599 + 90.346 45.854 120.093-119.844 + 90.182 52.028 136.364-143.757 + 90.951 43.054 139.703-137.443 + 92.961 64.524 111.973 -80.206 + 129.128 -29.387 0.000 0.000 + 92.496 58.259 0.000 0.000 + 91.248 27.365 93.090 -97.961 + 95.727-100.246 110.409 -77.806 + 120.698-179.946 122.101 -77.063 + 114.190 58.768 0.000 0.000 + 115.597 -70.626 130.075-145.820 + 118.835-147.282 112.285-114.661 + 101.331 131.360 125.371-141.732 + 92.862 130.222 104.957-111.862 + 118.342 0.000 129.942-138.726 + # 85 total E -5.89225E+01 rmsd from N 0.000 %NC 0.00 + 119.552-123.194 107.787 -77.967 + 91.327 75.216 155.855-124.977 + 90.325 44.663 118.844 -38.506 + 90.040 50.629 153.766-104.151 + 89.613 44.924 128.137-125.030 + 90.143 55.550 153.408 102.241 + 90.555 41.362 147.395-106.536 + 91.734 84.417 96.964 36.794 + 93.962 -44.517 143.586-163.592 + 97.734 98.891 0.000 0.000 + 127.828 -37.242 0.000 0.000 + 122.247 -82.310 112.101-111.739 + 130.778 -16.898 153.744 -82.305 + 127.292-154.478 122.185 -80.396 + 140.238-162.777 0.000 0.000 + 121.039 -59.396 148.037 -42.729 + 118.279-144.201 109.371-110.108 + 106.514 137.607 120.802-132.889 + 120.890 -28.572 120.284-125.100 + 119.443 0.000 120.376 -80.246 + # 86 total E -5.86236E+01 rmsd from N 0.000 %NC 0.00 + 118.006-146.760 149.525 -20.744 + 120.042 177.890 152.510 -20.174 + 113.603 168.855 112.457 -71.363 + 91.666 64.397 130.264-108.269 + 90.037 40.986 102.516-102.891 + 90.811 59.831 135.488 43.210 + 90.675 36.629 145.505 -34.470 + 91.819 59.550 129.805-137.524 + 92.723 1.479 139.335-120.886 + 122.617 -10.044 0.000 0.000 + 142.150-139.356 0.000 0.000 + 93.942 107.949 100.249 -99.154 + 147.048 -72.030 126.924 -85.529 + 95.010 53.188 114.590 -76.660 + 95.210 51.728 0.000 0.000 + 111.350 -77.661 149.730-162.057 + 111.009-169.986 116.895-126.743 + 92.847 52.009 131.008-156.193 + 92.433 115.179 131.190-154.600 + 121.550 0.000 119.457 -85.795 + # 87 total E -5.85158E+01 rmsd from N 0.000 %NC 0.00 + 119.614-115.583 109.184 -78.062 + 117.032-176.636 153.157 -15.389 + 124.822 165.593 176.440 167.452 + 90.797 44.534 155.531-103.961 + 90.819 43.417 91.064 -59.145 + 91.705 52.124 150.982 94.007 + 90.359 44.190 136.423-124.749 + 91.555 85.048 131.715-150.767 + 93.497 -50.939 148.309 -24.100 + 96.935 96.864 0.000 0.000 + 105.291 -6.821 0.000 0.000 + 101.353 177.608 95.713 -93.674 + 124.593-179.332 145.010-138.198 + 124.712-178.600 149.512 -70.489 + 127.379 175.188 0.000 0.000 + 129.161 -79.112 149.059 67.978 + 119.169-145.117 117.004-122.723 + 100.257 132.805 104.501-102.742 + 92.912 129.067 101.638-114.796 + 118.385 0.000 131.894-138.776 + # 88 total E -5.84960E+01 rmsd from N 0.000 %NC 0.00 + 93.622 17.272 144.038-132.009 + 110.083 171.818 147.000 -27.080 + 92.204 78.857 113.657 -76.681 + 90.625 57.980 150.327 -91.737 + 90.833 40.212 91.856 -64.803 + 90.975 52.225 103.998 -79.285 + 90.485 43.314 144.566-126.800 + 91.407 63.264 140.192-142.578 + 93.063 92.007 146.426 -37.670 + 136.024 -70.250 0.000 0.000 + 111.496 -12.065 0.000 0.000 + 96.322 -51.237 93.438 -91.526 + 93.028 -16.317 114.476 -75.676 + 117.182-169.797 150.426-148.058 + 125.281 173.753 0.000 0.000 + 128.745 -90.857 127.103 -51.065 + 114.559-108.788 94.736 -87.205 + 116.556-142.275 114.139-116.972 + 116.276-118.331 134.214-147.871 + 121.667 0.000 121.617 -80.594 + # 89 total E -5.80173E+01 rmsd from N 0.000 %NC 0.00 + 119.376 156.136 171.689-153.820 + 92.518 136.505 148.614-128.099 + 127.897 170.462 111.381 -79.853 + 90.857 60.284 147.359-115.249 + 89.723 48.165 99.055 -53.159 + 90.404 51.464 149.099 103.448 + 90.331 69.669 137.415 -84.875 + 90.828 84.363 134.569-137.724 + 92.495 21.333 145.017-117.688 + 123.499 -24.799 0.000 0.000 + 126.870 -61.200 0.000 0.000 + 116.212 163.994 124.867-131.681 + 126.612-173.699 150.186-159.691 + 121.562 28.236 147.347 -31.744 + 129.713 -8.313 0.000 0.000 + 116.494 -77.747 151.785 15.542 + 120.733-167.218 127.105-136.883 + 91.756 52.643 104.109-103.901 + 92.928 106.125 90.700 -98.221 + 120.518 0.000 121.858 -82.803 + # 90 total E -5.79590E+01 rmsd from N 0.000 %NC 0.00 + 93.713 19.383 108.665 -80.168 + 117.281-177.452 148.200 -18.555 + 108.960-175.385 116.168 -81.301 + 92.123 62.826 143.400-106.644 + 90.813 37.320 88.738 -64.389 + 92.160 54.487 153.622 101.563 + 90.570 56.803 144.675-117.846 + 90.568 80.129 134.330-121.748 + 92.467 22.493 98.410 -74.073 + 96.675 177.078 0.000 0.000 + 123.760 -35.692 0.000 0.000 + 114.510 179.819 123.615-130.411 + 124.446-175.720 115.002 -80.377 + 95.266 25.434 116.034 -76.416 + 97.476 57.497 0.000 0.000 + 125.261-117.676 119.899 -42.375 + 116.243 130.098 125.016-135.613 + 104.523-174.120 106.119 -80.299 + 116.865 144.646 128.917-140.721 + 118.905 0.000 144.258 -91.798 + # 91 total E -5.79445E+01 rmsd from N 0.000 %NC 0.00 + 119.823-121.429 106.779 -76.680 + 91.079 71.518 147.530-134.068 + 89.416 64.183 126.493 -38.737 + 90.029 55.094 176.051-176.331 + 89.789 42.010 120.419 -87.949 + 90.526 52.315 106.946-133.376 + 89.887 51.864 150.295 -87.524 + 89.516 70.043 139.778-134.323 + 90.828 32.464 136.031-112.787 + 116.945-121.526 0.000 0.000 + 94.847 91.758 0.000 0.000 + 119.654-148.131 113.540-115.930 + 127.293-168.885 159.581 -55.974 + 123.979 15.960 117.165 -77.888 + 132.976 -57.327 0.000 0.000 + 93.593 84.663 123.357-147.296 + 107.395-170.312 92.916 -96.766 + 125.956-138.631 109.373-106.254 + 117.990-118.871 121.914-127.168 + 120.823 0.000 147.104-117.872 + # 92 total E -5.75824E+01 rmsd from N 0.000 %NC 0.00 + 93.782 12.443 146.678 -29.332 + 117.668 178.659 159.572-150.945 + 111.864 163.604 159.325 2.112 + 91.129 61.532 143.688-106.281 + 89.467 44.455 109.357 -79.981 + 90.275 51.022 156.977 119.776 + 90.356 49.133 137.118 -54.536 + 91.271 71.844 136.175-138.734 + 92.492 112.419 142.986-133.098 + 127.857 17.890 0.000 0.000 + 124.052 -46.643 0.000 0.000 + 108.281 104.367 130.848-145.838 + 121.762 -93.986 118.959 -79.463 + 118.324-175.805 119.749 -78.574 + 140.433-107.423 0.000 0.000 + 120.685 -85.386 133.278 153.657 + 121.966 134.868 119.224-124.847 + 125.589-111.387 107.651-102.424 + 116.391 18.513 132.948-145.295 + 93.250 0.000 113.025 -74.838 + # 93 total E -5.75172E+01 rmsd from N 0.000 %NC 0.00 + 119.453-133.492 146.375 -15.799 + 122.369 -86.541 164.822 -12.550 + 94.378 43.946 170.835 15.420 + 93.551 87.753 137.695 -91.937 + 92.449 -55.867 130.288-164.745 + 93.876 96.871 126.098 -1.440 + 91.469 30.455 136.360-125.278 + 92.931 86.543 138.365-115.795 + 93.682 -45.564 142.899-155.338 + 97.413 92.827 0.000 0.000 + 126.561 -38.543 0.000 0.000 + 112.338 163.929 86.647 -76.103 + 93.463 89.410 114.208 -75.944 + 95.145 11.418 113.669 -77.081 + 137.981-104.892 0.000 0.000 + 124.562-102.122 134.016 155.147 + 120.797 134.016 121.431-128.737 + 125.850-114.198 110.689-106.846 + 114.660 125.081 129.129-140.072 + 119.439 0.000 119.445 -81.151 + # 94 total E -5.74679E+01 rmsd from N 0.000 %NC 0.00 + 112.024 -50.219 143.768-133.184 + 92.130 95.148 130.600 19.152 + 117.553 -35.530 106.298-104.051 + 91.733 64.906 147.358 -93.751 + 91.289 23.157 100.067 -87.007 + 94.352 61.351 152.421 43.708 + 92.804 3.565 149.620 -47.798 + 110.224 54.229 129.728-130.162 + 94.481 25.936 141.480-122.875 + 151.565 -25.858 0.000 0.000 + 93.881 55.267 0.000 0.000 + 89.285 57.881 105.567-110.910 + 89.983 137.128 108.907 -79.181 + 93.461 -58.953 114.079 -78.433 + 95.548 74.851 0.000 0.000 + 127.354 -91.851 120.163-130.092 + 125.161-161.798 114.176-114.549 + 116.282 134.161 117.099-119.981 + 119.373 66.781 120.574-126.818 + 117.911 0.000 119.426 -80.238 + # 95 total E -5.71988E+01 rmsd from N 0.000 %NC 0.00 + 93.793 46.141 146.772 -28.220 + 92.845 169.975 151.921 -25.312 + 93.072 80.246 175.762-175.479 + 92.032 97.208 133.579 -88.821 + 90.268 -63.536 104.411-106.054 + 91.782 101.760 151.233 -90.238 + 91.281 51.885 145.784-135.294 + 91.390 106.468 141.543-144.338 + 91.004 -20.677 149.825 -35.947 + 97.328 -70.742 0.000 0.000 + 98.257 -24.686 0.000 0.000 + 92.813 103.430 135.360-161.703 + 93.918 121.175 119.006 -75.556 + 126.479-140.885 121.609 -87.809 + 133.827 -95.876 0.000 0.000 + 119.131-111.881 124.965 -41.007 + 118.717 122.289 124.680-136.118 + 91.984 48.651 107.448-109.812 + 92.736 65.089 128.741-151.712 + 93.348 0.000 111.900 -79.321 + # 96 total E -5.71672E+01 rmsd from N 0.000 %NC 0.00 + 118.616-152.257 145.981 -18.903 + 123.412-170.931 176.375-167.317 + 128.410 -69.836 160.619 13.843 + 90.781 53.561 148.439 -95.681 + 90.433 40.294 87.022 -68.961 + 92.043 50.350 126.127 82.018 + 90.976 43.304 137.743-129.258 + 92.544 42.838 140.109-140.698 + 94.380 41.384 144.623-133.652 + 158.120 82.875 0.000 0.000 + 118.447 -38.294 0.000 0.000 + 91.458 67.409 131.102-155.000 + 93.198-162.775 110.418 -78.209 + 94.038 20.439 115.727 -76.455 + 96.736 77.276 0.000 0.000 + 130.259 -83.659 135.006-150.793 + 119.257-113.575 112.059-115.590 + 116.451-140.598 138.272-152.016 + 108.535 131.506 138.790-155.229 + 119.774 0.000 120.323 -80.810 + # 97 total E -5.70912E+01 rmsd from N 0.000 %NC 0.00 + 115.610 152.257 135.847 -30.631 + 92.716 113.058 139.838 120.460 + 117.515 -76.616 129.175-114.461 + 91.154 62.705 153.266-101.419 + 90.737 33.285 108.546 -97.579 + 92.968 59.553 142.734 33.798 + 91.685 36.248 148.138-107.984 + 93.700 55.353 137.154-133.024 + 119.382 8.707 126.537 -88.257 + 143.266 -27.368 0.000 0.000 + 94.182 75.702 0.000 0.000 + 92.475 142.582 103.591-101.615 + 91.666 128.525 114.902 -77.797 + 114.443 -75.073 122.771-138.869 + 95.443 173.862 0.000 0.000 + 130.077 -65.532 126.868-123.685 + 123.599-167.853 103.526-103.437 + 92.412 49.104 104.407-108.493 + 93.574 11.040 131.030-154.169 + 118.221 0.000 120.485 -79.318 + # 98 total E -5.70035E+01 rmsd from N 0.000 %NC 0.00 + 118.519-170.622 140.326 -19.699 + 114.904 179.089 163.251-143.760 + 126.969 159.386 175.668 167.310 + 92.078 58.612 157.558 -96.623 + 91.351 144.941 91.293 -58.731 + 92.013 73.556 139.441-125.320 + 90.936 46.163 143.190 -84.976 + 91.769 80.725 114.885-134.511 + 93.050 20.665 103.781 -79.878 + 127.861-166.954 0.000 0.000 + 126.210 -41.877 0.000 0.000 + 93.132 75.994 131.567-154.901 + 119.150 -76.671 117.989 -79.167 + 122.184-167.606 120.663 -79.615 + 140.434 -97.284 0.000 0.000 + 123.571 -77.389 139.973 -47.854 + 118.589-108.654 115.529-120.265 + 119.339-135.962 115.185-117.227 + 113.143-112.536 97.195 -93.431 + 120.213 0.000 145.344 -99.786 + # 99 total E -5.68873E+01 rmsd from N 0.000 %NC 0.00 + 118.212-150.456 148.909 -17.502 + 107.080 99.360 145.536 -17.423 + 116.539 0.166 174.969 166.504 + 93.129 58.742 146.603-102.092 + 91.542 30.199 99.175 -87.419 + 92.661 63.038 133.983 56.789 + 90.987 30.614 131.449-171.255 + 92.808 75.635 131.513-134.836 + 92.721 5.586 143.615-152.000 + 109.436 -86.402 0.000 0.000 + 98.358 -33.558 0.000 0.000 + 96.135 151.015 130.923-152.498 + 114.694 163.227 121.412 -82.539 + 128.524 173.917 159.852 -85.886 + 95.281 64.577 0.000 0.000 + 121.877 -96.765 111.364 -54.331 + 113.705-169.971 119.410-128.465 + 93.265 48.890 130.846-153.013 + 105.223-121.413 132.030-150.712 + 121.486 0.000 121.509 -80.344 + # 100 total E -5.63565E+01 rmsd from N 0.000 %NC 0.00 + 93.818 4.951 144.900 -29.743 + 122.341 -96.600 152.513-102.576 + 132.340-178.474 176.451 151.570 + 91.441 45.337 164.956-121.644 + 90.569 44.767 100.188 -60.275 + 91.573 51.944 129.178 59.816 + 90.682 48.446 133.170-129.661 + 91.546 44.300 136.991-142.155 + 93.625 70.863 147.256 -14.064 + 132.036 18.235 0.000 0.000 + 95.179 177.081 0.000 0.000 + 92.325 67.376 130.631-156.977 + 92.371 -55.035 113.206 -76.344 + 121.690 177.432 147.379 -66.356 + 137.329 -74.594 0.000 0.000 + 119.901 -78.198 143.229-172.104 + 119.347-116.046 114.246-118.373 + 118.889-109.158 123.348-126.017 + 118.154-115.664 104.681-105.845 + 94.605 0.000 116.830 -77.641 + # 101 total E -5.63215E+01 rmsd from N 0.000 %NC 0.00 + 93.605 96.865 143.781-132.194 + 111.715 176.289 151.369 -19.214 + 91.866 69.103 91.895 -96.172 + 89.857 41.285 148.475-100.962 + 90.246 47.421 100.967 -48.454 + 90.296 53.126 133.867 66.404 + 90.541 37.655 132.568-154.515 + 92.352 55.618 128.170-132.873 + 92.807 -49.756 143.365-124.618 + 131.936 -47.411 0.000 0.000 + 127.876 -10.618 0.000 0.000 + 111.213-141.462 94.197 -79.574 + 93.717 110.352 125.003-121.694 + 92.550 -2.792 113.028 -76.963 + 107.036 -88.901 0.000 0.000 + 114.014-142.923 126.373 104.969 + 119.918 22.532 117.561-126.118 + 92.112 112.273 102.026-118.477 + 118.664 66.629 121.319-131.186 + 117.543 0.000 141.653-120.874 + # 102 total E -5.62707E+01 rmsd from N 0.000 %NC 0.00 + 119.543 -88.737 162.379-150.341 + 123.728-107.630 145.009 -84.982 + 135.829 -79.129 150.048 88.507 + 92.074 48.210 136.202-110.621 + 90.656 39.246 123.465-120.293 + 91.800 55.308 140.922 94.797 + 91.271 37.905 148.971-135.877 + 92.924 57.816 121.886 145.617 + 94.364 -66.274 150.473 -6.719 + 124.463 83.365 0.000 0.000 + 140.007 -31.450 0.000 0.000 + 121.576-142.341 104.753-100.923 + 116.777-175.705 119.700 -79.695 + 130.247 -58.966 121.340 -83.674 + 125.604 -12.230 0.000 0.000 + 128.144 -74.634 142.038-178.953 + 122.869 141.218 117.306-121.788 + 130.540-171.245 106.822 -99.059 + 93.339 110.467 103.228-109.875 + 119.105 0.000 117.349 -81.822 + # 103 total E -5.62507E+01 rmsd from N 0.000 %NC 0.00 + 93.712 10.992 107.733 -80.521 + 108.036 174.245 148.958-125.678 + 90.882 78.806 120.333 -32.539 + 91.051 47.997 167.624 127.608 + 89.698 43.505 128.174 -92.970 + 90.119 53.280 101.855-136.447 + 90.261 62.445 140.852 -25.371 + 89.840 60.276 134.591-132.306 + 91.984 20.575 109.782 -77.950 + 128.408 -46.661 0.000 0.000 + 138.906 -67.886 0.000 0.000 + 115.176 14.031 86.955 -77.090 + 91.830 -63.139 131.235 11.431 + 91.214 7.639 112.851 -78.005 + 124.489 -62.161 0.000 0.000 + 94.881 152.007 132.332 -54.765 + 93.732 126.508 100.343-130.099 + 97.622-175.722 104.106-109.984 + 116.917 -14.594 130.757-145.313 + 119.082 0.000 120.452 -80.080 + # 104 total E -5.61225E+01 rmsd from N 0.000 %NC 0.00 + 93.620 48.094 144.062-132.997 + 93.245 175.311 144.844 -22.731 + 111.440 155.260 176.455 177.817 + 91.018 43.183 147.510-112.317 + 90.846 44.348 92.125 -58.199 + 91.780 49.197 144.984 96.574 + 90.473 44.659 136.044-120.833 + 90.298 58.209 133.374-136.366 + 91.768 39.820 145.393-130.244 + 95.775 63.524 0.000 0.000 + 91.997 33.355 0.000 0.000 + 92.159-156.840 129.822-152.968 + 92.709 91.480 115.130 -76.506 + 94.390 114.130 131.753-113.242 + 136.592-102.701 0.000 0.000 + 129.626-106.732 136.604 -43.771 + 121.119 126.192 117.969-123.561 + 93.235 47.491 124.307-144.562 + 92.868 84.728 130.178-152.960 + 93.447 0.000 125.773-131.962 + # 105 total E -5.59626E+01 rmsd from N 0.000 %NC 0.00 + 113.783 -46.087 151.971-148.616 + 91.516 77.800 142.906-125.395 + 91.392 49.266 164.447 5.393 + 90.038 58.493 142.952 -81.518 + 90.262 41.213 121.015-135.457 + 90.629 52.870 107.107-116.732 + 90.233 42.793 146.027-145.371 + 91.064 70.830 139.116-136.183 + 92.440 27.661 144.996-127.359 + 96.482 170.296 0.000 0.000 + 132.492 -56.278 0.000 0.000 + 106.784 174.088 98.782 -90.900 + 125.056-179.682 121.122 -80.428 + 125.741-176.916 122.991 -78.675 + 123.014 174.203 0.000 0.000 + 129.832 -84.672 130.863-148.744 + 120.124-165.937 117.857-123.620 + 92.578 54.300 127.147-147.805 + 93.321 23.428 93.482 -94.913 + 93.398 0.000 117.274 -77.717 + # 106 total E -5.58148E+01 rmsd from N 0.000 %NC 0.00 + 119.824-125.910 107.239 -75.544 + 118.280 178.251 176.434-158.206 + 128.091 -84.945 165.596-179.790 + 91.739 57.171 145.812-102.882 + 91.258 34.942 103.246 -91.446 + 91.676 60.426 101.919-110.872 + 90.658 34.124 156.237-108.030 + 92.390 65.790 130.455-140.341 + 93.291 -52.220 142.539 -40.339 + 117.931 88.786 0.000 0.000 + 134.596 -35.661 0.000 0.000 + 125.182 110.325 108.584-106.982 + 126.807-100.257 146.684-121.758 + 127.084-175.151 150.308 -64.981 + 127.523 176.206 0.000 0.000 + 128.249 -77.650 145.077 -46.259 + 119.896-142.807 111.068-111.893 + 106.971 133.200 119.035-128.108 + 120.051 64.297 119.133-124.711 + 93.325 0.000 115.076 -77.407 + # 107 total E -5.57670E+01 rmsd from N 0.000 %NC 0.00 + 94.000 125.669 141.371 -6.622 + 110.849 167.619 165.581-158.401 + 125.230 -77.333 156.524 -5.642 + 92.340 59.807 176.354-178.763 + 91.145 38.147 117.780 -84.788 + 92.131 51.386 99.026-118.907 + 90.806 63.841 136.874-125.215 + 91.090 104.996 131.746-113.518 + 91.692 -57.691 104.107 -80.454 + 95.652 89.154 0.000 0.000 + 138.849 -37.284 0.000 0.000 + 116.054-141.366 92.562 -64.977 + 105.366 167.954 118.145 -76.739 + 124.436 171.543 117.220 -83.000 + 128.026 44.817 0.000 0.000 + 93.562 77.195 114.934 -23.284 + 132.189-112.023 107.708-104.133 + 118.596-138.292 113.210-115.184 + 117.734-117.477 123.089-126.683 + 120.771 0.000 146.590-115.956 + # 108 total E -5.56818E+01 rmsd from N 0.000 %NC 0.00 + 117.106-140.048 153.720-147.345 + 121.221-175.209 146.650 -13.481 + 116.105 170.235 141.112 123.615 + 92.281 58.927 165.150-130.972 + 90.173 44.034 112.297 -72.672 + 91.060 51.125 124.066-132.709 + 90.077 59.619 139.317-112.342 + 90.634 128.270 131.983-121.030 + 91.431 -61.301 136.193-126.112 + 94.673 72.213 0.000 0.000 + 136.488 -66.259 0.000 0.000 + 134.296 170.343 110.434-100.918 + 92.365 80.787 117.138 -75.062 + 93.770 30.999 113.687 -77.058 + 97.154 78.354 0.000 0.000 + 123.657-102.738 134.287-103.770 + 124.008 41.815 122.804-129.494 + 93.427 123.335 104.628-111.887 + 120.420 164.227 124.493-131.666 + 119.114 0.000 138.928-119.072 + # 109 total E -5.56410E+01 rmsd from N 0.000 %NC 0.00 + 116.307-148.502 151.968-149.823 + 126.165 -93.951 167.713-137.476 + 117.675-174.836 156.204 -8.199 + 93.836 46.655 158.009-134.394 + 90.781 39.236 112.376 -33.806 + 92.435 65.622 150.541 102.424 + 90.745 63.279 148.036-120.172 + 90.751 75.205 115.212-126.565 + 93.109 -72.424 97.472 -78.484 + 95.713 173.635 0.000 0.000 + 140.905 -37.035 0.000 0.000 + 99.983 -34.077 102.688 -98.627 + 93.295 101.544 113.852 -76.441 + 117.400 175.504 113.050 -81.698 + 125.100 169.641 0.000 0.000 + 126.687 -79.775 147.640 -37.404 + 120.172-143.740 108.998-108.430 + 104.971 133.751 121.430-133.251 + 105.635 -23.487 102.402-106.161 + 93.510 0.000 115.162 -77.136 + # 110 total E -5.54746E+01 rmsd from N 0.000 %NC 0.00 + 93.904 -1.497 138.609 -29.668 + 123.382 -95.471 157.596 -19.124 + 120.648-171.624 103.094 -89.584 + 91.947 58.381 136.726-102.999 + 89.912 43.473 104.313-102.055 + 91.505 63.957 135.422 41.656 + 90.753 37.252 154.553-140.326 + 92.868 62.082 130.344-138.589 + 93.658 -70.052 147.568 -24.667 + 109.974-166.391 0.000 0.000 + 154.839 -52.283 0.000 0.000 + 117.111 -82.174 114.715-120.460 + 94.166 -21.893 114.762 -76.452 + 122.012-170.804 145.888 -57.863 + 123.108 172.269 0.000 0.000 + 115.421 70.812 127.868-148.289 + 104.515-167.759 99.044 -98.241 + 124.637-142.860 109.333-106.819 + 116.357-122.222 121.673-129.447 + 122.294 0.000 122.385 -81.376 + # 111 total E -5.54303E+01 rmsd from N 0.000 %NC 0.00 + 114.932 -38.149 146.761 -22.435 + 93.327 167.476 155.686 -35.132 + 93.294 91.656 176.260 15.414 + 109.066 -56.789 123.819 -71.707 + 91.064 82.280 94.929 -75.903 + 91.429 44.612 109.099 45.627 + 90.532 52.673 153.647-126.425 + 90.756 64.058 118.981-153.208 + 93.346 44.947 146.754 -26.397 + 135.790 -75.305 0.000 0.000 + 95.593 173.686 0.000 0.000 + 117.673 164.385 129.619-140.117 + 123.297 178.390 120.510 -80.091 + 125.508-179.622 122.172 -80.236 + 126.933 171.208 0.000 0.000 + 129.044-103.827 109.331 -51.764 + 117.039-107.375 120.163-127.212 + 119.122-140.731 112.141-112.124 + 93.477 66.876 102.572-106.332 + 93.395 0.000 130.359-122.170 + # 112 total E -5.54088E+01 rmsd from N 0.000 %NC 0.00 + 93.731 107.005 149.157-131.306 + 92.802 113.031 143.777 -85.462 + 128.298 -97.759 94.480-101.712 + 92.319 52.084 150.574-105.233 + 91.358 39.645 108.920 -55.594 + 92.075 53.040 157.269 51.713 + 90.425 42.933 137.739-127.796 + 91.052 72.485 136.016-136.983 + 92.576 26.110 142.036-127.575 + 96.527 170.165 0.000 0.000 + 133.342 -59.347 0.000 0.000 + 114.240 106.381 129.063-139.624 + 126.456-100.212 148.634 -83.907 + 127.769-173.412 123.145 -79.054 + 123.412 174.905 0.000 0.000 + 129.876 -84.716 132.278-151.120 + 120.854-165.648 117.324-122.044 + 92.001 53.074 106.544-106.328 + 93.068 43.983 93.269 -97.534 + 93.397 0.000 134.681-110.295 + # 113 total E -5.52553E+01 rmsd from N 0.000 %NC 0.00 + 118.917-148.614 109.501 -78.498 + 119.853-106.933 144.866 -18.559 + 133.309-160.532 140.635 126.027 + 91.259 95.340 136.943 -98.863 + 90.829 -57.764 109.837-105.410 + 92.520 100.199 126.136 -8.698 + 91.610 29.443 142.632-111.209 + 92.630 84.475 137.727-108.492 + 94.494 -45.545 142.152-149.942 + 97.919 93.660 0.000 0.000 + 121.006 -25.784 0.000 0.000 + 121.167-157.182 110.647-110.221 + 124.124-176.714 121.321 -80.277 + 125.616 -77.979 119.823 -80.620 + 113.412-173.306 0.000 0.000 + 130.979 -80.249 127.235-156.393 + 120.806-165.550 115.739-119.582 + 92.425 52.130 107.558-107.961 + 93.058 122.020 129.568-152.523 + 119.571 0.000 119.158 -81.542 + # 114 total E -5.49268E+01 rmsd from N 0.000 %NC 0.00 + 118.280-143.526 149.521 -19.663 + 126.031-171.863 155.957 -13.921 + 108.974-168.004 166.459 171.367 + 94.481 65.058 168.891-132.797 + 91.033 27.524 124.957 -94.709 + 92.643 66.653 102.557-131.890 + 90.501 33.745 128.355-164.414 + 92.243 68.345 139.168-136.280 + 90.928 -55.402 139.589 -98.006 + 117.122 -63.622 0.000 0.000 + 94.584 176.059 0.000 0.000 + 91.508 52.520 126.671-151.820 + 89.894 88.217 148.237-166.261 + 94.134 -38.801 112.472 -81.744 + 97.791 82.498 0.000 0.000 + 123.485 -98.785 118.208-125.137 + 134.771 121.018 119.968-117.044 + 113.131 53.573 113.771-114.671 + 111.841-119.935 130.969-146.581 + 121.779 0.000 121.662 -80.751 + # 115 total E -5.48226E+01 rmsd from N 0.000 %NC 0.00 + 120.228-125.556 110.200 -76.557 + 122.191-163.511 155.321 -83.900 + 91.728 85.068 151.596-100.445 + 91.482 46.104 138.852 -92.855 + 90.707 47.378 118.707-104.024 + 90.531 46.123 100.374-132.916 + 90.353 49.739 141.269-146.863 + 91.045 44.402 179.982 17.407 + 92.990 63.963 112.345 -81.497 + 136.068 -34.522 0.000 0.000 + 93.072 66.212 0.000 0.000 + 95.607 177.874 93.392 -96.522 + 124.023 179.934 120.409 -79.770 + 124.571-177.321 149.902 -56.064 + 124.955 176.653 0.000 0.000 + 129.654 -79.201 137.504 176.940 + 119.780-142.984 110.833-112.158 + 105.816 132.815 117.635-126.957 + 92.902 127.064 103.283-115.756 + 118.537 0.000 130.252-136.509 + # 116 total E -5.45175E+01 rmsd from N 0.000 %NC 0.00 + 93.728 4.047 106.358 -79.257 + 117.370-101.428 146.670-120.706 + 113.050 168.907 158.508 -0.681 + 92.783 53.389 151.513-113.931 + 90.969 37.246 106.585 -41.564 + 92.073 53.500 147.905 100.411 + 90.270 48.296 140.685-118.324 + 90.554 68.067 139.439-142.988 + 91.730 8.255 147.487 -26.118 + 117.063 -13.009 0.000 0.000 + 138.249 -56.402 0.000 0.000 + 117.533 -84.469 126.467-133.472 + 129.638 -53.747 146.135 -36.072 + 128.617 -63.243 115.087 -80.242 + 112.983 -13.210 0.000 0.000 + 111.071 -67.933 99.724-114.368 + 96.032 137.286 98.937-122.240 + 92.935 123.621 96.242-109.716 + 93.150 130.067 128.945-152.522 + 118.491 0.000 136.635-131.321 + # 117 total E -5.44830E+01 rmsd from N 0.000 %NC 0.00 + 118.415 -74.328 110.200 -76.420 + 119.499 -92.356 143.433 -88.477 + 90.980 99.319 125.684 -31.322 + 92.674 31.673 160.247-134.981 + 91.051 63.320 119.784 -31.578 + 109.939 -12.796 125.838-129.377 + 93.520 65.228 176.403-159.382 + 91.771 23.940 150.950-150.043 + 93.254 125.706 144.631-138.281 + 131.946 -91.237 0.000 0.000 + 95.222 28.729 0.000 0.000 + 93.788 50.681 88.215 -84.068 + 94.618 -54.847 116.205 -80.071 + 125.922 -49.418 148.124 -69.558 + 134.957 -29.210 0.000 0.000 + 135.729 -77.777 125.093 135.671 + 120.127-143.251 112.938-115.500 + 106.515 138.066 114.750-121.880 + 119.210-112.179 122.944-131.972 + 94.641 0.000 116.438 -77.582 + # 118 total E -5.42323E+01 rmsd from N 0.000 %NC 0.00 + 93.606 15.965 144.022-131.581 + 114.966 174.482 146.863 -25.117 + 112.992 159.919 100.318 -98.876 + 93.709 96.900 133.462 -97.122 + 90.962 -64.868 112.904-125.322 + 92.215 105.192 133.243 -20.624 + 90.820 56.624 128.425-136.826 + 91.138 43.563 143.484-106.640 + 93.876 120.009 138.475-108.591 + 134.577 -84.938 0.000 0.000 + 100.563 -16.495 0.000 0.000 + 92.245 104.257 131.322-154.922 + 93.400 -50.017 122.162 -69.218 + 97.914 4.162 117.860 -77.363 + 150.805 -83.421 0.000 0.000 + 122.591-113.727 124.912 -48.041 + 120.734 131.849 123.066-133.172 + 125.318-112.907 112.371-108.998 + 115.248 113.872 129.098-139.471 + 93.449 0.000 114.348 -77.776 + # 119 total E -5.40709E+01 rmsd from N 0.000 %NC 0.00 + 117.891-164.475 145.580 -20.555 + 114.212 179.331 152.307 -21.101 + 116.245 156.536 175.206 172.497 + 89.911 52.630 141.374-109.178 + 89.463 45.736 89.664 -62.302 + 89.839 51.539 166.256 136.748 + 90.165 52.493 138.890 -45.874 + 90.662 81.782 130.731-131.609 + 91.797 5.278 102.478 -79.240 + 114.021 -79.764 0.000 0.000 + 117.905 -32.305 0.000 0.000 + 115.685 -82.574 110.850-111.891 + 92.914 82.633 132.684-158.162 + 124.640 -81.948 116.025 -83.937 + 122.845 0.057 0.000 0.000 + 115.834 -64.712 146.061 -39.964 + 116.244 137.860 117.481-124.922 + 104.066-107.010 89.965 -86.908 + 105.337 117.895 126.452-141.203 + 93.394 0.000 106.514 -80.400 + # 120 total E -5.40591E+01 rmsd from N 0.000 %NC 0.00 + 93.942 120.846 142.245 -13.686 + 112.916 169.894 145.355 -28.767 + 110.728 164.156 98.780 -89.256 + 91.123 64.802 130.444 -96.821 + 89.981 42.601 95.380-101.807 + 90.453 52.941 121.137 -26.336 + 91.242 43.466 164.612-138.239 + 92.376 64.629 117.718 142.892 + 94.225 -0.122 106.917 -72.039 + 165.860 70.342 0.000 0.000 + 144.375 -76.655 0.000 0.000 + 126.048 35.155 116.698-115.033 + 94.506 -76.516 112.541 -75.939 + 93.898 72.861 115.444 -76.284 + 138.815-162.567 0.000 0.000 + 135.769 -60.586 149.504 -60.113 + 119.548-144.274 116.733-123.574 + 94.093 117.407 101.331 -99.249 + 128.947 -34.862 105.352 -99.385 + 119.166 0.000 145.713-107.927 + # 121 total E -5.40148E+01 rmsd from N 0.000 %NC 0.00 + 117.681-169.367 144.914 -21.454 + 114.476 179.242 148.050 -18.899 + 114.082-150.947 164.866 153.022 + 92.491 67.918 164.497 160.257 + 90.179 38.698 107.981 -38.367 + 90.818 55.917 94.189 -79.743 + 90.799 65.474 154.137-151.386 + 91.027 79.928 123.223-119.748 + 91.542 -71.071 142.859-127.562 + 95.763 171.925 0.000 0.000 + 133.626 -54.162 0.000 0.000 + 93.753 58.242 87.287 -84.796 + 133.753-129.421 123.081 -79.217 + 92.606 10.681 115.303 -75.992 + 116.712 -65.436 0.000 0.000 + 128.812-112.681 149.364-101.744 + 121.943 25.953 126.694-135.163 + 93.562 54.147 102.667-117.040 + 93.110 119.807 101.046-107.867 + 118.420 0.000 137.725-142.511 + # 122 total E -5.39966E+01 rmsd from N 0.000 %NC 0.00 + 93.598 104.788 142.969-130.573 + 121.325-178.248 169.740-157.850 + 127.135 -82.134 140.055-126.794 + 92.153 53.334 162.278-129.589 + 90.186 39.885 130.855-105.731 + 90.697 63.535 124.695 23.895 + 90.636 36.736 155.791-127.978 + 91.957 67.622 109.005 118.940 + 92.693 -57.632 140.392-120.193 + 118.393 81.416 0.000 0.000 + 140.452 -51.087 0.000 0.000 + 129.959 173.284 107.306-101.812 + 127.104-179.683 122.567 -80.713 + 125.437-177.016 122.782 -78.476 + 122.073 171.154 0.000 0.000 + 130.111-102.699 128.786-141.009 + 121.804 132.520 119.562-124.975 + 92.774 127.549 104.054-105.068 + 105.091 -24.720 100.421-112.305 + 93.523 0.000 115.188 -77.183 + # 123 total E -5.39237E+01 rmsd from N 0.000 %NC 0.00 + 118.514-150.536 146.611 -19.721 + 121.125-179.275 158.336-121.669 + 98.506 170.350 133.149 -46.420 + 92.809 72.814 139.210-118.007 + 91.215 33.693 97.204 -55.775 + 91.778 59.906 150.859 85.189 + 91.049 35.011 138.060-154.615 + 92.945 72.183 132.465-140.970 + 93.168 -50.300 149.853 -15.480 + 127.537 -20.115 0.000 0.000 + 127.273 -48.543 0.000 0.000 + 114.110 168.012 124.469-132.602 + 120.523 174.194 116.804 -84.483 + 123.347 -64.069 141.585-170.127 + 127.439 -20.805 0.000 0.000 + 125.587 -89.460 119.745 -59.057 + 118.972 134.411 117.915-124.915 + 114.225 146.999 120.040-127.513 + 116.768 64.536 128.114-138.836 + 93.325 0.000 114.977 -77.118 + # 124 total E -5.38906E+01 rmsd from N 0.000 %NC 0.00 + 116.667-141.051 152.086-148.143 + 119.034 172.340 146.069 -28.256 + 115.967 157.546 104.698 -97.841 + 92.807 98.432 131.097-100.165 + 90.757 -62.092 103.147-103.782 + 91.869 99.295 131.773 -49.954 + 91.664 31.228 136.557-162.706 + 91.874 74.152 138.590 -92.977 + 91.950 -5.775 135.791-130.362 + 119.063 -28.327 0.000 0.000 + 142.236 -61.029 0.000 0.000 + 123.007 113.233 118.382-118.734 + 134.705 -99.613 119.567 -91.859 + 131.299 -70.965 126.549 -80.046 + 98.366 53.641 0.000 0.000 + 94.822 65.810 95.370-105.176 + 128.845-166.533 122.404-125.920 + 118.901-141.432 106.609-103.604 + 116.616-122.278 126.374-135.144 + 122.151 0.000 122.666 -80.587 + # 125 total E -5.35852E+01 rmsd from N 0.000 %NC 0.00 + 115.164 161.938 102.636 -81.144 + 127.924 178.345 160.888-172.094 + 125.092-104.384 154.767 -1.263 + 91.779 47.203 141.339 -89.802 + 90.405 39.786 104.313-104.027 + 91.324 56.456 126.219 -24.260 + 90.831 44.023 159.383 -34.975 + 91.924 79.708 131.623-136.380 + 93.368 15.154 111.593 -75.413 + 124.712 -71.084 0.000 0.000 + 96.064 -37.464 0.000 0.000 + 89.634 -48.608 109.884-112.747 + 93.895 -39.201 145.146 177.113 + 95.980 -13.079 113.143 -76.514 + 130.953 -29.756 0.000 0.000 + 94.580 155.333 115.851-149.093 + 117.168 142.632 120.105-131.179 + 118.089-172.630 129.365-138.057 + 93.481 106.261 99.750 -94.616 + 119.651 0.000 119.438 -82.512 + # 126 total E -5.35478E+01 rmsd from N 0.000 %NC 0.00 + 116.474 165.486 143.991 -13.742 + 91.755 88.010 154.099 -88.856 + 92.138 86.963 121.610 -44.792 + 102.938 -47.447 168.278 167.488 + 90.936 84.514 125.869-109.892 + 91.456 44.633 175.227-157.190 + 90.832 54.565 161.074-157.190 + 91.034 74.082 110.355-136.434 + 92.102 -77.644 100.235 -83.017 + 95.482 172.869 0.000 0.000 + 140.377 -54.191 0.000 0.000 + 119.431 -93.877 108.867-110.026 + 93.814 86.915 114.977 -76.790 + 127.584 151.519 116.990 -82.947 + 134.777-108.472 0.000 0.000 + 127.420-103.261 125.474 -45.408 + 114.512 131.052 119.937-129.907 + 92.759 125.277 106.566-115.655 + 92.760 130.824 101.729-116.740 + 118.435 0.000 130.493-139.786 + # 127 total E -5.35160E+01 rmsd from N 0.000 %NC 0.00 + 93.619 14.012 143.869-131.729 + 117.922-108.669 145.071 -27.638 + 117.976-167.946 167.821 157.457 + 91.496 62.755 152.253 -93.168 + 90.619 34.987 90.971 -65.899 + 91.162 60.633 95.021 -67.747 + 90.550 49.867 150.725 -52.692 + 91.450 70.448 136.958-133.120 + 91.616 -53.440 108.349 -74.880 + 109.401-166.283 0.000 0.000 + 149.519 -40.929 0.000 0.000 + 117.784-154.319 124.307-131.728 + 123.903-177.637 147.949-102.184 + 125.910 -90.042 150.070 -70.409 + 125.869-174.523 0.000 0.000 + 128.067 -76.230 143.348 -47.900 + 118.928-143.462 117.807-123.692 + 101.721 141.405 104.868-100.727 + 120.664-118.827 119.762-125.453 + 120.844 0.000 146.639-115.904 + # 128 total E -5.33341E+01 rmsd from N 0.000 %NC 0.00 + 119.019-174.897 141.061 -5.818 + 91.854 67.832 135.201 -45.439 + 93.733 80.811 172.467 16.932 + 109.773 -31.259 144.747 -83.794 + 91.673 69.628 106.529-104.274 + 91.317 36.656 97.490-121.948 + 91.247 57.308 158.522 128.452 + 91.343 48.305 135.670-138.531 + 93.409 11.577 111.988 -79.531 + 127.463 -4.029 0.000 0.000 + 132.501 -26.161 0.000 0.000 + 135.549-171.998 97.574 -80.559 + 92.670 118.051 114.204 -75.759 + 93.375 -45.652 106.112 -76.616 + 118.276 -19.958 0.000 0.000 + 122.258 -90.514 146.583 -26.488 + 92.927 59.301 109.056-123.862 + 93.896 132.936 103.508-113.803 + 118.632-110.468 125.067-132.741 + 94.608 0.000 116.220 -77.693 + # 129 total E -5.32329E+01 rmsd from N 0.000 %NC 0.00 + 120.068-113.155 106.138 -73.916 + 114.726 177.105 161.210-144.138 + 122.812 142.279 176.430 169.943 + 91.655 47.219 148.816 -91.422 + 90.763 44.252 93.434 -79.046 + 90.964 57.005 151.833 51.881 + 90.429 38.963 137.999-157.799 + 92.158 91.297 128.686-137.964 + 92.175 -18.107 145.278 -28.481 + 106.929 -69.787 0.000 0.000 + 94.137 -19.543 0.000 0.000 + 96.864 154.327 93.089 -81.013 + 93.429 99.171 113.583 -77.975 + 94.790 0.529 117.238 -82.217 + 128.710 -25.919 0.000 0.000 + 110.901 -88.261 118.782 -45.936 + 112.497 38.362 121.181-131.996 + 93.539 115.908 102.827-107.839 + 121.806 62.297 113.439-115.337 + 121.026 0.000 121.122 -85.456 + # 130 total E -5.31763E+01 rmsd from N 0.000 %NC 0.00 + 111.783 167.549 143.824-127.580 + 118.739 121.733 151.787 -7.116 + 124.648 -95.106 169.585-175.208 + 91.303 50.457 144.913-101.206 + 90.719 37.487 98.300 -84.495 + 91.392 54.548 159.376 35.458 + 90.336 42.337 145.526 -48.082 + 91.195 73.127 134.876-139.471 + 92.061 7.745 140.613-125.860 + 118.269 -61.807 0.000 0.000 + 127.711 -52.655 0.000 0.000 + 118.871 166.861 120.328-124.029 + 114.104 109.263 117.975 -79.993 + 127.022-109.155 123.497 -82.878 + 122.926-179.666 0.000 0.000 + 129.493 -83.071 141.287 177.748 + 120.239-165.284 118.899-125.341 + 92.120 55.225 107.201-105.151 + 92.995 90.375 93.154 -98.062 + 93.332 0.000 113.506 -77.233 + # 131 total E -5.29369E+01 rmsd from N 0.000 %NC 0.00 + 119.133-145.927 106.932 -76.330 + 116.054 171.411 169.082-169.512 + 126.808 -72.844 150.329-132.582 + 91.975 63.506 174.068-178.573 + 90.139 35.518 123.566 -86.295 + 90.237 60.572 98.258-124.169 + 90.100 36.655 148.443-160.719 + 91.806 67.383 137.801-143.626 + 91.232 -45.805 142.338-118.770 + 113.906 -91.279 0.000 0.000 + 130.175 -33.450 0.000 0.000 + 92.107 -47.861 122.296-142.986 + 92.177 91.336 136.219-155.645 + 136.691-116.615 113.891 -83.567 + 96.681 55.146 0.000 0.000 + 133.129 85.330 119.827 40.051 + 116.029-167.277 116.451-123.300 + 109.598-144.568 102.998 -98.136 + 124.974 -6.937 115.512-115.568 + 119.453 0.000 119.790 -81.729 + # 132 total E -5.28525E+01 rmsd from N 0.000 %NC 0.00 + 117.281-173.874 143.361 -25.065 + 117.941 177.960 172.887-159.609 + 130.226 -87.361 166.394 173.495 + 91.401 61.017 142.970 -99.309 + 91.286 37.609 102.327 -95.256 + 91.445 54.887 101.978-113.395 + 90.188 40.293 147.538-129.196 + 91.143 69.684 136.303-140.543 + 92.417 14.042 142.012 -42.922 + 116.899-164.790 0.000 0.000 + 132.452 -52.648 0.000 0.000 + 116.548 177.521 126.899-134.833 + 125.482-178.988 121.040 -80.737 + 124.782-176.212 123.624 -78.533 + 95.534 137.519 0.000 0.000 + 124.850-179.740 131.332-104.626 + 93.579 125.960 101.906-121.527 + 104.813-173.258 98.477-101.633 + 93.673 29.112 100.145-103.909 + 118.276 0.000 119.456 -80.565 + # 133 total E -5.24290E+01 rmsd from N 0.000 %NC 0.00 + 93.628 18.799 144.122-132.699 + 118.188-174.674 152.286 -13.304 + 114.088-179.357 169.197 172.690 + 93.004 74.754 166.560 172.683 + 91.359 85.461 107.233 -40.794 + 113.790 -66.919 102.538-101.731 + 92.660 91.851 142.763 169.024 + 92.198 86.324 142.109 -84.032 + 93.154 24.961 102.904 -76.781 + 132.212-143.829 0.000 0.000 + 92.563 42.244 0.000 0.000 + 92.658-149.763 131.424-154.993 + 134.321-174.608 156.231 -31.366 + 116.403 -71.639 144.791 -71.108 + 121.465-170.240 0.000 0.000 + 129.308 -81.077 139.609 -74.107 + 104.678 133.621 95.385-110.949 + 121.639-174.111 118.724-122.445 + 115.561 -13.946 130.954-141.872 + 119.126 0.000 120.434 -80.143 + # 134 total E -5.22498E+01 rmsd from N 0.000 %NC 0.00 + 118.971-142.533 147.491 -15.981 + 120.346 -99.029 176.443 -7.511 + 91.496 62.086 130.415 56.117 + 90.204 46.137 136.468 -96.331 + 90.050 46.103 115.004-117.423 + 89.956 50.119 155.816 120.125 + 90.451 53.202 141.799 -41.996 + 90.880 80.127 132.614-128.601 + 92.174 2.272 99.286 -75.818 + 119.524 -72.661 0.000 0.000 + 119.869 -29.568 0.000 0.000 + 113.570-175.278 124.068-132.163 + 125.799-178.971 119.832 -82.005 + 124.886 176.961 122.043 -79.597 + 122.100 67.671 0.000 0.000 + 125.998 -94.330 115.972 -59.434 + 120.065 133.365 118.157-124.183 + 124.268-111.338 114.904-114.195 + 117.698-118.762 124.236-130.460 + 121.880 0.000 121.600 -81.002 + # 135 total E -5.21594E+01 rmsd from N 0.000 %NC 0.00 + 118.110-167.109 106.183 -75.429 + 112.138 103.936 152.925-104.094 + 127.273-112.839 93.847-100.557 + 92.599 61.054 143.782-101.652 + 91.203 35.934 101.903 -49.517 + 91.427 54.979 152.748 93.427 + 90.744 40.421 141.764-164.631 + 92.143 69.013 137.896-136.432 + 91.448 -54.046 144.054-135.438 + 121.026 -59.795 0.000 0.000 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93.542 0.000 136.094-112.847 + # 137 total E -5.19705E+01 rmsd from N 0.000 %NC 0.00 + 117.146 -95.084 154.557-153.147 + 122.955-106.862 143.900-101.682 + 101.776-176.441 167.826 10.562 + 93.034 63.722 171.431-167.055 + 91.365 27.528 106.672 -60.481 + 93.171 61.269 135.582-118.107 + 90.649 67.543 134.885-149.818 + 89.579 84.201 119.283-114.351 + 90.873 -5.183 126.877-132.260 + 108.713 -83.151 0.000 0.000 + 121.708-166.507 0.000 0.000 + 110.054 171.974 99.072 -72.320 + 119.794 178.140 120.079 -79.102 + 126.227-179.332 122.537 -82.468 + 127.300 174.002 0.000 0.000 + 128.588 -84.839 142.734 -45.872 + 120.927-163.473 114.050-117.056 + 122.791-142.242 110.774-108.101 + 115.686 124.329 129.242-139.552 + 93.515 0.000 114.715 -77.500 + # 138 total E -5.18680E+01 rmsd from N 0.000 %NC 0.00 + 113.299 -44.953 150.386-146.080 + 91.808 90.870 141.916 -23.563 + 90.600 50.533 130.289 43.282 + 89.228 45.705 140.846 -98.941 + 89.388 48.079 123.678-132.052 + 89.548 55.896 143.894 121.640 + 90.463 39.348 138.446 -47.568 + 92.381 60.795 131.975 -96.104 + 94.156 3.174 149.374 -19.140 + 141.544 -33.660 0.000 0.000 + 126.736 77.682 0.000 0.000 + 121.984 168.422 114.517-114.525 + 92.807 102.716 116.023 -76.585 + 93.809 15.064 113.662 -77.511 + 95.931 164.594 0.000 0.000 + 130.863-111.410 140.618 -67.110 + 117.629 131.774 118.041-128.359 + 119.662-172.157 123.727-130.043 + 110.802-118.406 99.221 -87.863 + 120.750 0.000 147.743-107.872 + # 139 total E -5.16990E+01 rmsd from N 0.000 %NC 0.00 + 117.647-153.337 156.354-134.359 + 118.586 -97.005 150.807-143.483 + 92.180 57.787 163.403 16.875 + 90.153 41.049 148.364 -93.158 + 90.094 49.149 119.393 -88.354 + 90.193 48.303 137.619 111.079 + 90.141 47.440 143.048 -97.498 + 90.998 69.561 133.897-139.897 + 92.446 25.533 149.841 -11.557 + 114.743-172.317 0.000 0.000 + 133.236 -64.916 0.000 0.000 + 93.782 77.497 100.423 -98.590 + 129.740-106.113 118.623 -80.299 + 94.215 48.932 115.356 -76.103 + 134.786 -77.895 0.000 0.000 + 126.848-119.849 143.250 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91.799 64.262 138.556-109.722 + 90.249 43.064 113.652-106.867 + 91.711 56.033 123.538 34.123 + 90.259 37.709 143.732-124.584 + 91.973 69.694 120.146 148.540 + 92.236 -71.086 141.906 -31.587 + 125.209 -25.155 0.000 0.000 + 121.295 -33.616 0.000 0.000 + 112.046 -52.774 117.914-123.719 + 92.596 88.188 114.187 -75.590 + 114.772-116.577 114.355 -80.061 + 119.707 171.022 0.000 0.000 + 109.804 49.070 124.908-145.646 + 122.229 142.737 113.698-119.694 + 125.357-111.781 113.501-111.831 + 117.720-118.397 124.236-130.604 + 120.851 0.000 147.756-113.135 + # 142 total E -5.11805E+01 rmsd from N 0.000 %NC 0.00 + 93.627 104.235 143.738-133.427 + 118.498-176.251 155.814 -12.848 + 115.271 168.112 176.432 175.450 + 91.445 41.368 161.643-127.246 + 90.535 45.880 98.694 -51.593 + 91.395 49.587 145.851 89.289 + 90.222 45.235 132.468-121.337 + 90.337 61.058 134.210-138.072 + 91.726 38.924 144.158-135.934 + 95.644 59.422 0.000 0.000 + 92.237 40.602 0.000 0.000 + 91.918 130.928 92.416 -95.241 + 122.644 167.014 123.204 -83.656 + 124.851 -94.188 120.947 -79.384 + 124.068-177.334 0.000 0.000 + 129.066 -90.343 138.051 161.358 + 103.389 136.249 100.319-114.169 + 125.892-142.453 111.939-110.617 + 117.575-113.595 125.909-132.973 + 94.655 0.000 116.390 -77.613 + # 143 total E -5.10842E+01 rmsd from N 0.000 %NC 0.00 + 117.353 -73.108 108.882 -83.557 + 91.621 76.840 147.799 -33.007 + 89.751 56.091 105.234 -62.636 + 89.382 48.949 149.181-100.269 + 89.546 44.529 123.922-124.809 + 90.385 51.398 140.610-115.136 + 89.980 45.499 142.404-126.661 + 90.925 83.437 132.332-140.653 + 94.285 -44.729 143.066-127.360 + 98.082 85.685 0.000 0.000 + 93.247 38.882 0.000 0.000 + 91.417 55.673 129.563-153.028 + 92.852 -62.455 115.516 -73.935 + 124.872 -62.418 115.779 -79.958 + 124.016 -45.459 0.000 0.000 + 93.387 56.503 133.341-137.865 + 120.317 143.816 115.002-120.628 + 125.985-142.171 119.197-118.286 + 117.937-118.836 123.941-128.458 + 121.892 0.000 121.591 -81.014 + # 144 total E -5.08557E+01 rmsd from N 0.000 %NC 0.00 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109.181-164.597 0.000 0.000 + 136.345 -58.310 0.000 0.000 + 115.085 175.375 131.080-143.114 + 123.510 176.499 147.581 -95.806 + 126.191 -94.207 121.095 -79.944 + 123.919-178.395 0.000 0.000 + 129.204 -98.929 138.945 165.932 + 122.535 134.724 120.240-126.070 + 100.503-172.921 102.145 -97.700 + 117.261-113.003 128.519-140.834 + 94.635 0.000 116.484 -77.548 + # 146 total E -5.07423E+01 rmsd from N 0.000 %NC 0.00 + 117.502-168.948 106.868 -79.618 + 124.077-176.274 151.710 -7.910 + 111.127 179.686 156.131 129.036 + 92.879 67.372 145.832-100.705 + 90.877 62.516 97.018 -84.595 + 114.084 -17.914 140.563-132.269 + 92.807 67.710 141.641 -28.792 + 92.444 34.825 153.347-139.685 + 94.102 13.605 142.085-129.930 + 159.432 66.425 0.000 0.000 + 129.935 -83.288 0.000 0.000 + 93.783 65.055 100.161 -97.778 + 132.041-136.146 122.821 -82.700 + 122.895 123.089 121.290 -79.536 + 134.881 -94.240 0.000 0.000 + 119.399-111.719 131.511 -29.363 + 124.841-169.111 120.170-124.668 + 92.988 123.429 104.795-101.895 + 132.253 -48.815 107.489-103.262 + 121.238 0.000 119.282 -83.379 + # 147 total E -5.06062E+01 rmsd from N 0.000 %NC 0.00 + 120.137-123.310 104.539 -73.315 + 91.197 79.448 147.864 -91.069 + 92.395 35.456 167.118 10.978 + 92.572 90.583 138.388 -90.177 + 91.688 -54.611 130.235-168.874 + 93.541 97.677 176.437-155.896 + 90.917 35.898 147.561-122.515 + 92.065 70.313 141.650-129.950 + 92.047 -40.286 148.179 -20.908 + 114.584-161.544 0.000 0.000 + 137.233 -37.316 0.000 0.000 + 126.685-175.305 106.955-102.359 + 113.145 111.331 118.134 -78.780 + 108.934 -86.473 115.954 -78.382 + 95.232 35.582 0.000 0.000 + 130.526 82.889 120.276 38.992 + 123.505-171.622 113.624-116.413 + 128.511-138.953 112.584-106.930 + 93.508 79.220 128.902-149.337 + 93.290 0.000 111.830 -77.593 + # 148 total E -5.04273E+01 rmsd from N 0.000 %NC 0.00 + 116.738-142.898 152.385-148.569 + 122.902-173.404 166.565-179.517 + 130.101 -73.633 170.380 158.210 + 90.648 58.412 142.753-102.698 + 90.181 39.529 104.469 -93.188 + 91.148 56.741 143.950 41.715 + 90.574 35.646 139.806-154.682 + 92.087 65.139 129.991-135.608 + 92.935 8.272 138.921-120.373 + 124.276-117.145 0.000 0.000 + 124.656 -34.296 0.000 0.000 + 91.503 65.909 102.958-103.717 + 89.873 62.991 111.052 -73.262 + 91.862 47.074 112.444 -77.679 + 94.591 67.423 0.000 0.000 + 110.050 -92.971 126.055-123.976 + 118.690 47.086 121.465-129.576 + 115.356 141.628 117.713-123.909 + 127.135 -26.824 119.488-117.609 + 120.589 0.000 116.365 -84.873 + # 149 total E -5.02700E+01 rmsd from N 0.000 %NC 0.00 + 115.466 167.476 113.249 -81.994 + 91.860 84.381 135.230 -25.985 + 91.636 53.870 176.426 165.426 + 90.092 39.347 144.565 -97.667 + 90.265 51.022 113.480 -29.157 + 91.277 65.044 157.999 91.289 + 91.612 92.154 147.341-151.678 + 92.137 -58.338 135.562-131.967 + 93.226 140.489 143.781-108.036 + 140.169 -72.689 0.000 0.000 + 94.170 40.048 0.000 0.000 + 92.851 42.753 95.180 -78.733 + 95.545 -72.005 111.425 -78.343 + 127.358 -75.006 150.015 -60.888 + 125.134-175.651 0.000 0.000 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94.950 -85.751 + 89.815 43.704 144.660 -96.310 + 89.783 46.624 123.649 -23.798 + 89.607 48.582 156.226 46.528 + 90.348 57.669 141.036 -38.333 + 90.720 89.052 133.202-124.668 + 92.247 8.784 103.310 -78.848 + 118.857 -71.326 0.000 0.000 + 107.158 -31.346 0.000 0.000 + 94.651 -49.882 127.292-147.368 + 92.235 91.550 139.337-151.877 + 127.249-106.486 117.204 -82.224 + 121.301-179.281 0.000 0.000 + 128.547 -82.052 140.817 -54.388 + 120.993-165.048 112.611-115.427 + 113.958 52.541 124.022-131.662 + 113.579 148.737 126.162-137.540 + 93.727 0.000 115.243 -77.918 + # 152 total E -4.82824E+01 rmsd from N 0.000 %NC 0.00 + 118.799-111.866 158.403-146.958 + 118.301-174.902 166.950 -12.994 + 93.460 80.066 176.424-179.534 + 92.139 46.832 140.063 -88.751 + 90.902 41.796 114.437 -97.388 + 90.663 58.771 100.167-124.791 + 90.349 39.230 151.156-179.097 + 91.189 61.571 124.419 142.460 + 92.989 -71.237 137.650 -42.681 + 113.218-165.419 0.000 0.000 + 148.759 -54.129 0.000 0.000 + 119.415 -86.923 117.970-121.818 + 93.740 98.703 135.520-130.193 + 124.354-100.860 114.088 -82.394 + 115.373-178.286 0.000 0.000 + 93.970 80.075 101.747-143.028 + 107.221-108.158 91.781-107.820 + 117.624-145.018 114.226-117.001 + 113.920 -3.121 134.195-149.458 + 118.774 0.000 120.458 -80.036 + # 153 total E -4.80501E+01 rmsd from N 0.000 %NC 0.00 + 93.696 111.860 146.584-114.468 + 93.024 104.224 140.084 -42.872 + 132.676 -85.371 141.901 111.963 + 91.557 51.808 144.374-111.448 + 90.918 36.322 93.319 -59.393 + 91.662 57.431 150.996 101.010 + 90.769 41.869 150.045-131.285 + 91.540 71.482 108.305 121.819 + 92.506 -15.180 148.898-144.044 + 123.687 -43.372 0.000 0.000 + 133.117 -62.767 0.000 0.000 + 122.952 166.555 119.375-120.683 + 121.079 175.715 119.733 -80.224 + 126.006 179.149 122.551 -80.439 + 135.971 -80.054 0.000 0.000 + 93.971 86.338 121.970-151.464 + 128.957-175.928 105.212-104.039 + 92.957 50.607 103.419-107.600 + 93.799 119.912 101.554-104.673 + 93.318 0.000 109.555 -75.068 + # 154 total E -4.76105E+01 rmsd from N 0.000 %NC 0.00 + 93.713 45.002 108.691 -80.843 + 93.484 -90.249 136.989 -38.968 + 128.313-172.684 147.470 118.697 + 91.098 63.025 154.530 -91.455 + 90.613 39.800 92.944 -72.663 + 91.054 56.244 100.189 -78.498 + 90.343 52.544 144.083-124.537 + 91.160 75.688 141.118-147.003 + 91.418 9.753 147.556 -88.877 + 114.502 -72.427 0.000 0.000 + 129.171-139.197 0.000 0.000 + 114.612 173.534 131.990-143.987 + 123.188 174.726 147.776 -90.741 + 122.882 -84.176 120.380 -79.575 + 95.607 164.459 0.000 0.000 + 129.269-105.838 119.849-122.657 + 100.586 132.886 100.664-118.517 + 124.034-111.207 115.575-116.650 + 117.772-119.006 123.403-128.911 + 121.965 0.000 121.632 -81.102 + # 155 total E -4.73306E+01 rmsd from N 0.000 %NC 0.00 + 93.723 109.606 148.730-125.915 + 92.866 111.892 154.679-149.158 + 123.977 -96.321 143.928 -26.659 + 91.571 53.905 147.163 -97.786 + 91.028 38.801 118.552-110.903 + 91.643 51.994 155.327 97.296 + 90.098 42.851 144.710-126.625 + 90.301 60.871 138.586-135.641 + 91.685 37.714 141.376-128.947 + 95.658 53.608 0.000 0.000 + 92.209 43.838 0.000 0.000 + 89.523 45.666 93.877 -99.022 + 90.845 62.991 114.073 -76.720 + 93.450 -33.526 116.017 -76.249 + 129.549 72.916 0.000 0.000 + 93.670 78.958 110.953 137.157 + 123.989-169.719 119.755-126.623 + 93.954 121.614 106.288-102.729 + 121.632-120.884 116.691-119.414 + 121.871 0.000 121.502 -81.030 + # 156 total E -4.71215E+01 rmsd from N 0.000 %NC 0.00 + 116.532-145.598 152.244-147.419 + 125.419-169.861 176.412-165.873 + 130.843-121.311 161.426 164.738 + 94.067 97.338 138.185 -97.679 + 91.114 -59.933 104.901 -97.704 + 91.901 98.707 176.498-174.352 + 91.052 39.010 142.103 -90.093 + 91.366 75.809 146.738-124.626 + 92.720 22.098 147.828 -18.617 + 96.506 166.971 0.000 0.000 + 131.306 -64.485 0.000 0.000 + 92.574 57.405 104.768-110.051 + 113.970 -88.700 139.497-118.298 + 122.907 178.888 122.909 -76.437 + 119.872 69.637 0.000 0.000 + 119.656 -67.418 134.375 153.349 + 97.901 139.525 101.254-114.853 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37.146 125.761 -91.502 + 91.648 54.925 103.000-133.060 + 90.284 62.675 138.400-139.359 + 90.621 81.734 136.326-126.213 + 91.176 4.909 108.345 -76.479 + 108.795 -82.745 0.000 0.000 + 124.605-163.501 0.000 0.000 + 92.852 65.843 104.242-101.601 + 94.511 -73.897 113.811 -77.203 + 126.922-174.905 149.625 -49.577 + 125.506 174.725 0.000 0.000 + 129.639 -84.947 139.594-167.682 + 121.159-165.799 116.527-120.714 + 92.208 51.217 107.311-108.072 + 93.076 16.865 129.634-152.818 + 117.679 0.000 119.175 -79.295 + # 159 total E -4.61190E+01 rmsd from N 0.000 %NC 0.00 + 115.807 -68.504 153.514-157.454 + 107.826 111.989 158.302-171.641 + 126.809 -90.319 175.560 162.990 + 91.097 56.252 139.778 -94.833 + 90.151 37.198 102.712 -94.594 + 90.598 55.506 129.883 -30.586 + 90.525 40.004 155.991-178.445 + 91.454 72.120 134.556-136.514 + 92.160 -0.834 139.712-125.382 + 120.877 -79.374 0.000 0.000 + 117.255 -28.762 0.000 0.000 + 103.502-179.750 98.346 -90.294 + 93.587 99.626 113.750 -32.763 + 93.443 112.720 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152.700-143.287 + 121.022-167.771 159.600 -9.492 + 135.195-127.830 163.209 168.982 + 92.967 97.280 138.356 -94.645 + 91.175 -56.906 103.163 -96.058 + 92.460 97.505 176.498 177.872 + 90.863 44.360 144.924 -97.370 + 91.160 53.259 150.151-120.142 + 93.955 96.063 144.946-114.382 + 144.500 -84.107 0.000 0.000 + 111.910 -3.703 0.000 0.000 + 91.554 77.526 131.614-155.781 + 90.725 -64.600 113.762 -73.992 + 121.803-179.552 146.327 -81.146 + 152.916 167.492 0.000 0.000 + 92.353 81.833 121.273-153.754 + 129.336-114.475 103.924-100.719 + 107.835-164.290 102.337-100.946 + 116.111-118.465 133.564-147.644 + 121.631 0.000 121.663 -80.716 + # 162 total E -4.56212E+01 rmsd from N 0.000 %NC 0.00 + 93.991 117.350 139.858 -6.804 + 92.214 76.903 149.169 -42.864 + 103.235 149.317 158.940 9.915 + 91.708 57.050 152.008-108.254 + 90.657 38.929 95.633 -54.685 + 91.329 53.264 148.305 94.825 + 90.116 46.876 139.526-131.006 + 90.591 67.270 139.248-143.254 + 91.956 11.264 147.992 -23.030 + 116.178 -18.140 0.000 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124.912-133.445 + 118.168 0.000 119.482 -80.347 + # 164 total E -4.49331E+01 rmsd from N 0.000 %NC 0.00 + 93.468 33.211 134.433-103.788 + 93.728 -90.421 141.619 -33.616 + 121.584 -76.463 135.965-113.126 + 91.036 67.924 148.669 -94.122 + 90.544 35.911 97.619 -83.466 + 91.813 57.303 130.643 55.625 + 90.996 35.846 133.824-153.637 + 93.080 63.776 138.613-141.163 + 92.133 -70.105 154.258 -23.393 + 111.972 -49.962 0.000 0.000 + 127.882 -98.691 0.000 0.000 + 113.021 112.009 105.323 -94.960 + 138.055-105.642 152.770 -70.984 + 94.070 40.566 115.808 -76.053 + 95.078 159.580 0.000 0.000 + 134.933 -99.726 147.754-103.536 + 113.816 26.206 108.545-116.970 + 93.256 54.104 98.725-111.396 + 118.197-119.086 113.140-115.526 + 120.660 0.000 145.475-122.791 + # 165 total E -4.49195E+01 rmsd from N 0.000 %NC 0.00 + 94.006 98.684 137.573 -10.112 + 92.077 87.127 149.390 151.992 + 93.718 144.340 160.229 8.856 + 91.362 53.081 134.047-126.080 + 90.616 41.837 91.408 -60.268 + 91.942 51.679 147.527 90.751 + 90.536 45.143 137.058-120.986 + 91.655 63.565 132.060-133.431 + 93.078 71.600 143.022-133.177 + 137.830 -62.970 0.000 0.000 + 123.421 -22.113 0.000 0.000 + 114.962-144.468 126.592-135.277 + 131.024-168.205 123.521 -81.355 + 118.686 -59.146 146.066 -67.821 + 119.447-167.215 0.000 0.000 + 131.413 -98.347 154.279 45.426 + 122.336 16.005 116.473-120.273 + 123.678-142.013 108.858-107.929 + 93.077 100.519 101.395-104.813 + 117.777 0.000 113.714 -81.777 + # 166 total E -4.48703E+01 rmsd from N 0.000 %NC 0.00 + 93.620 91.468 143.246-117.622 + 92.843 118.770 154.308-161.564 + 125.319 -87.669 166.956 163.974 + 91.217 57.423 139.822-112.183 + 90.434 36.865 110.223 -87.620 + 91.389 57.216 176.439 169.864 + 89.703 46.640 149.541-148.800 + 89.844 65.820 105.841-102.870 + 92.008 11.751 135.679-123.202 + 118.538 -13.057 0.000 0.000 + 133.123 -57.819 0.000 0.000 + 125.548 169.333 119.648-119.040 + 126.044-176.071 120.204 -77.938 + 120.104 177.600 144.216 -44.612 + 124.481 172.650 0.000 0.000 + 118.208 45.897 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93.946-100.073 + 92.387 53.701 151.013-110.105 + 90.881 38.191 109.344 -37.872 + 92.040 50.843 149.724 106.815 + 90.407 59.326 142.225-104.893 + 90.443 79.752 136.507-119.580 + 92.523 19.259 100.697 -77.485 + 96.715 91.337 0.000 0.000 + 134.863 -48.537 0.000 0.000 + 125.919 175.262 106.763-102.816 + 92.837 94.072 114.706 -76.521 + 93.712 17.762 112.691 -77.081 + 119.863-133.788 0.000 0.000 + 116.821 36.017 133.111 -89.654 + 94.203 120.305 99.884-129.166 + 92.255 49.842 105.048-112.127 + 92.418 123.906 128.885-152.007 + 118.131 0.000 136.797-122.052 + # 169 total E -4.44847E+01 rmsd from N 0.000 %NC 0.00 + 119.575-113.976 109.699 -78.717 + 114.517 177.876 161.659 -17.821 + 93.033 81.050 174.015 175.930 + 89.882 46.109 145.046 -96.729 + 89.766 48.998 98.522 -78.046 + 90.754 49.786 125.968 53.377 + 90.366 44.260 136.494-140.598 + 91.619 55.739 132.623-143.633 + 93.559 30.539 147.491 -23.154 + 135.991 2.430 0.000 0.000 + 95.960 175.425 0.000 0.000 + 112.622 -84.069 132.300-148.209 + 122.169 -32.730 149.750 -85.691 + 127.838-169.504 149.757 -54.048 + 125.256 177.075 0.000 0.000 + 129.642 -77.981 140.401-170.711 + 118.988-143.827 118.193-124.662 + 101.589 141.192 104.992-100.749 + 120.464-120.304 120.058-126.076 + 121.851 0.000 121.569 -81.091 + # 170 total E -4.42328E+01 rmsd from N 0.000 %NC 0.00 + 118.148-142.946 156.857-138.265 + 120.969 -93.277 152.272-138.777 + 93.015 105.172 120.672 -44.222 + 113.590 10.385 121.533 -96.748 + 91.651 63.819 112.396-110.853 + 92.024 36.539 93.102-124.031 + 91.277 64.183 152.807 -16.312 + 90.723 84.479 139.422-133.880 + 92.057 0.716 136.141-112.186 + 127.090 -53.395 0.000 0.000 + 136.392 68.778 0.000 0.000 + 122.679 73.947 121.380-123.571 + 93.188 120.435 119.505 -76.572 + 117.933-100.612 119.284 -81.774 + 115.628-178.036 0.000 0.000 + 130.039 -82.582 131.205-151.911 + 118.544-109.525 116.515-122.299 + 119.295-137.777 110.835-110.624 + 117.459-118.629 125.932-132.944 + 120.879 0.000 147.985-111.691 + # 171 total E -4.38680E+01 rmsd from N 0.000 %NC 0.00 + 116.698-138.151 152.323-148.164 + 115.669 146.457 151.360 -27.434 + 130.698 -87.702 126.134 -81.542 + 117.198 118.801 165.957-157.653 + 92.446 -89.094 113.102 -30.529 + 92.221 85.767 144.209-118.460 + 91.065 41.222 146.185 -94.915 + 91.119 84.700 109.215-140.127 + 91.851 33.650 135.074-152.972 + 95.484 79.936 0.000 0.000 + 129.043 -48.744 0.000 0.000 + 125.547 105.452 106.654-102.973 + 134.643 -91.075 128.238 -79.998 + 93.996 -17.127 109.530 -73.863 + 123.272 -62.813 0.000 0.000 + 93.871 90.454 98.175 41.626 + 111.255-115.345 84.383 -93.916 + 118.849-142.296 120.194-123.186 + 112.869 130.850 133.104-146.381 + 119.906 0.000 120.376 -81.106 + # 172 total E -4.35971E+01 rmsd from N 0.000 %NC 0.00 + 116.965-133.717 152.756-150.594 + 111.633 157.744 116.591 -60.475 + 91.791 61.559 95.520 -92.795 + 91.441 38.366 153.481-100.863 + 90.603 51.110 133.287-155.941 + 90.780 47.836 124.888 58.766 + 90.523 44.906 129.316-134.301 + 91.808 53.906 132.851-145.568 + 93.621 31.334 149.047 -20.990 + 135.990 3.426 0.000 0.000 + 95.952 171.317 0.000 0.000 + 114.693 163.892 132.337-146.647 + 123.782 179.514 147.585 -89.713 + 125.408-173.919 121.838 -80.094 + 135.278-108.340 0.000 0.000 + 126.556 -93.386 105.025 -60.100 + 108.436-167.875 101.017 -95.070 + 92.673 52.599 107.503-117.109 + 107.375 156.628 127.286-141.915 + 119.335 0.000 143.129-108.231 + # 173 total E -4.35904E+01 rmsd from N 0.000 %NC 0.00 + 123.997 -98.898 174.984-166.953 + 120.295-175.721 124.020 -78.395 + 126.370 176.315 119.502 -87.672 + 120.668-162.991 161.557 -67.865 + 90.785 64.159 130.812-136.740 + 91.247 40.399 133.034 121.072 + 90.975 68.496 154.443 -81.550 + 90.818 72.239 138.099-132.362 + 92.024 38.307 143.756-122.932 + 121.711 6.694 0.000 0.000 + 130.223 -34.294 0.000 0.000 + 134.392 174.817 101.482 -87.732 + 94.587 154.321 114.172 -76.538 + 112.359 -72.076 114.874 -81.705 + 94.820 42.414 0.000 0.000 + 119.512 83.411 149.494 116.022 + 128.442-168.027 110.502-107.235 + 119.557-136.389 122.082-124.549 + 127.452 6.349 110.590-106.737 + 93.468 0.000 129.054-141.127 + # 174 total E -4.35351E+01 rmsd from N 0.000 %NC 0.00 + 93.607 101.930 143.326-131.255 + 114.373 169.558 150.820-121.799 + 129.571 -97.685 97.882 -98.686 + 92.258 50.020 149.725-108.578 + 90.823 41.556 110.335 -36.890 + 91.830 51.106 148.425 105.297 + 90.491 56.305 140.937-110.306 + 91.025 84.478 133.744-120.528 + 92.569 20.277 99.475 -76.203 + 119.285-165.753 0.000 0.000 + 131.028 -50.569 0.000 0.000 + 107.015 175.880 98.558 -90.268 + 124.876 179.793 121.049 -80.293 + 124.771 175.495 121.355 -79.794 + 127.973 60.020 0.000 0.000 + 93.880 82.672 122.058-148.588 + 127.468-168.587 112.256-113.288 + 122.027-114.013 111.489-110.018 + 117.549-118.598 125.304-132.363 + 120.886 0.000 147.990-112.100 + # 175 total E -4.34382E+01 rmsd from N 0.000 %NC 0.00 + 116.879 179.816 112.404 -78.605 + 92.499 81.966 143.858 -37.932 + 103.690 150.175 171.275-176.416 + 93.981 58.278 169.335-135.499 + 91.352 34.636 127.788-101.233 + 92.035 57.832 102.073-137.855 + 90.319 39.853 137.276-138.627 + 90.986 72.560 140.811-143.274 + 91.202 9.794 140.399-115.040 + 113.192 -73.900 0.000 0.000 + 129.822-139.815 0.000 0.000 + 114.395 173.847 131.624-143.463 + 124.716 178.594 121.359 -79.278 + 122.501 -65.223 119.477 -79.459 + 128.028 -7.437 0.000 0.000 + 94.452 158.546 116.653 -29.469 + 122.385 141.359 120.306-126.676 + 125.939-172.560 114.444-111.886 + 93.687 59.188 101.042-101.228 + 93.391 0.000 131.735-121.657 + # 176 total E -4.29862E+01 rmsd from N 0.000 %NC 0.00 + 93.609 45.847 143.569-132.970 + 92.665 91.688 150.297 -39.404 + 111.432 152.795 158.041 4.185 + 91.498 63.931 143.987-106.494 + 90.048 40.607 102.933 -47.190 + 90.488 54.835 151.183 111.364 + 90.263 42.304 140.135 -50.603 + 91.436 70.080 134.619-142.772 + 92.527 13.632 147.458 -25.653 + 116.886-165.015 0.000 0.000 + 133.010 -53.408 0.000 0.000 + 124.355 176.591 114.588-112.520 + 120.593 173.840 119.750 -79.978 + 120.537 -64.144 116.960 -79.083 + 120.157 -40.025 0.000 0.000 + 92.940 88.968 113.709 -19.108 + 126.745-145.238 108.346-108.094 + 101.412 140.728 103.061-104.331 + 93.558 121.471 96.958-107.695 + 118.677 0.000 141.740-133.784 + # 177 total E -4.23140E+01 rmsd from N 0.000 %NC 0.00 + 93.619 20.504 144.261-132.130 + 119.169-156.117 161.137 -3.234 + 128.000 -87.755 88.574 -98.382 + 91.438 52.834 146.622-105.304 + 90.280 41.441 115.138 -24.697 + 90.773 53.746 149.244 103.800 + 90.257 39.667 139.281 -58.104 + 91.075 51.713 132.272-141.556 + 92.413 57.910 146.434 -21.638 + 96.498 56.187 0.000 0.000 + 95.779 150.880 0.000 0.000 + 92.356 -6.458 127.587-151.016 + 92.694 -81.615 111.525 -73.707 + 91.869 2.352 115.420 -76.016 + 117.606 98.496 0.000 0.000 + 95.279 88.430 92.605 -67.643 + 132.500-173.981 109.111-104.506 + 93.781 120.934 103.688-106.472 + 93.675 30.471 97.657 -99.544 + 93.410 0.000 131.796-128.374 + # 178 total E -4.22711E+01 rmsd from N 0.000 %NC 0.00 + 117.331 -73.116 108.084 -84.270 + 92.697 94.930 139.136 -46.864 + 125.379-177.340 160.940 5.772 + 91.621 46.215 149.604-109.489 + 89.906 47.204 117.148 -81.501 + 91.484 48.499 151.189 -3.019 + 90.432 49.076 130.517-129.898 + 91.618 47.811 133.475-131.188 + 93.002-100.141 110.352 -78.434 + 118.994 -76.836 0.000 0.000 + 95.158 170.645 0.000 0.000 + 101.636 -87.754 102.139-104.498 + 93.639 75.071 139.644-102.587 + 132.258 134.963 115.589 -82.094 + 140.891 -92.478 0.000 0.000 + 92.931 82.672 100.590 -65.235 + 127.986-169.730 118.050-121.890 + 93.850 121.262 105.524-104.331 + 121.491 160.537 116.417-117.922 + 119.572 0.000 142.583-121.633 + # 179 total E -4.20902E+01 rmsd from N 0.000 %NC 0.00 + 116.327 177.067 143.184 -30.077 + 118.871 171.448 174.079-158.095 + 126.441 -79.457 148.184-122.723 + 91.263 65.263 146.271 -91.013 + 90.931 34.275 102.830-100.021 + 91.162 58.771 102.586-119.115 + 90.109 38.510 153.643-134.344 + 90.913 74.306 138.393-139.333 + 91.691 2.649 141.174 -46.426 + 112.635 -82.308 0.000 0.000 + 123.860 -35.504 0.000 0.000 + 118.670-152.896 117.442-120.243 + 126.109-174.573 119.861 -81.595 + 124.366-175.763 121.268 -79.933 + 97.015 155.006 0.000 0.000 + 114.566 77.701 140.683-142.885 + 128.716-164.484 113.382-111.372 + 113.328 137.527 117.271-122.432 + 120.966 -28.754 120.505-125.965 + 119.473 0.000 120.408 -80.225 + # 180 total E -4.20837E+01 rmsd from N 0.000 %NC 0.00 + 93.822 112.874 152.851-139.343 + 92.915 111.013 143.082 -35.910 + 126.969 -96.695 94.873-100.511 + 92.399 51.937 149.450-108.151 + 91.026 39.667 109.040 -38.170 + 92.068 51.466 153.932 105.867 + 90.467 55.143 142.055-109.675 + 91.031 83.585 134.539-119.334 + 92.549 19.946 99.832 -76.129 + 119.048-166.043 0.000 0.000 + 132.445 -52.755 0.000 0.000 + 116.862 176.967 126.454-133.912 + 124.495 177.560 120.891 -80.369 + 125.181 -87.962 148.934 -66.200 + 124.985-172.415 0.000 0.000 + 108.383 148.058 109.482-126.787 + 94.481 53.605 101.214-140.602 + 94.168 130.923 103.312-113.133 + 118.781-119.345 123.940-133.117 + 120.844 0.000 147.719-110.518 + # 181 total E -4.17206E+01 rmsd from N 0.000 %NC 0.00 + 119.609-114.506 109.342 -78.333 + 116.399 179.815 154.131 -17.875 + 114.695 151.100 174.802 179.145 + 91.438 42.123 145.888-108.662 + 90.965 50.084 100.815 -76.986 + 91.006 54.862 146.254 48.203 + 90.067 43.435 133.275-141.399 + 90.696 69.755 119.413 74.695 + 92.569 18.002 144.762 -30.923 + 117.262-164.358 0.000 0.000 + 129.595 -37.860 0.000 0.000 + 116.969-152.964 125.122-132.017 + 125.512-175.514 121.598 -80.659 + 124.323 176.167 148.119 -68.698 + 128.208 59.375 0.000 0.000 + 93.924 81.824 123.250-146.929 + 124.812-109.030 114.473-118.689 + 113.387-139.780 99.979 -95.974 + 117.220-119.215 127.555-137.315 + 120.967 0.000 148.652-110.287 + # 182 total E -4.14454E+01 rmsd from N 0.000 %NC 0.00 + 93.717 111.925 108.271 -80.938 + 136.718-169.932 176.481-168.968 + 124.218 -77.812 171.661 167.420 + 91.352 54.690 144.856-105.236 + 90.626 37.520 93.468 -59.970 + 91.571 54.230 149.195 114.952 + 90.158 42.518 141.587 -57.263 + 90.806 65.057 135.626-142.726 + 92.345 38.268 147.778 -24.054 + 96.239 75.448 0.000 0.000 + 130.689 -59.437 0.000 0.000 + 118.206 174.536 123.304-128.132 + 122.436 176.596 145.589-107.150 + 121.934 -65.861 116.712 -78.819 + 120.082 -39.419 0.000 0.000 + 92.634 89.105 114.283 -20.693 + 124.904-140.163 109.333-110.931 + 103.241 138.773 103.663-102.874 + 123.974 63.912 111.044-111.878 + 93.329 0.000 115.163 -77.665 + # 183 total E -4.12574E+01 rmsd from N 0.000 %NC 0.00 + 113.015 -37.032 151.701-148.394 + 93.967 171.678 151.366-117.887 + 101.851 169.154 121.683 -37.300 + 93.297 78.505 124.579-131.726 + 121.779-102.216 113.367 -81.253 + 92.809 116.376 169.563-156.781 + 92.705 41.705 145.356 -36.333 + 92.304 75.825 141.345-140.523 + 92.391 8.193 145.498-150.631 + 117.253 -70.707 0.000 0.000 + 125.372 -39.644 0.000 0.000 + 116.185 173.755 121.440-126.956 + 93.870 92.954 113.262 -78.544 + 120.673 157.905 119.570 -80.087 + 130.248 17.648 0.000 0.000 + 94.663 158.561 117.746-141.246 + 122.282-171.316 123.434-130.937 + 110.101-114.835 100.770 -91.061 + 117.246-113.378 127.286-136.825 + 94.633 0.000 116.436 -77.554 + # 184 total E -4.10969E+01 rmsd from N 0.000 %NC 0.00 + 115.543 167.230 107.350 -81.392 + 114.065 112.197 156.143-163.589 + 124.949 -86.753 154.712 -5.395 + 91.958 63.564 173.959-152.618 + 90.821 36.699 118.755 -83.868 + 90.715 54.737 97.136-117.754 + 89.891 43.273 137.366-143.570 + 90.788 62.958 144.014-142.502 + 91.323 11.315 143.448-119.834 + 116.929 -19.491 0.000 0.000 + 136.665 80.299 0.000 0.000 + 134.707-167.065 102.062 -87.182 + 116.907-178.099 144.301 -81.217 + 131.769-173.882 123.173 -82.997 + 121.150 176.909 0.000 0.000 + 129.060 -78.603 125.724-142.220 + 119.629-148.226 112.891-116.341 + 110.176 15.471 124.802-134.041 + 113.732-113.500 125.179-135.905 + 94.635 0.000 116.450 -77.598 + # 185 total E -3.98390E+01 rmsd from N 0.000 %NC 0.00 + 116.618-139.574 152.034-150.288 + 122.969-177.416 169.590-162.412 + 128.048 -76.899 156.441 -2.483 + 90.566 55.206 146.192 -97.427 + 90.032 40.868 109.700-107.869 + 91.257 59.082 132.910 37.431 + 90.515 34.422 145.156-143.785 + 92.674 64.367 127.605-135.999 + 93.546 -72.447 138.739-120.313 + 124.112 61.890 0.000 0.000 + 132.585-131.992 0.000 0.000 + 134.050 170.349 112.693-104.029 + 93.429 88.328 112.782 -76.004 + 93.892 -94.022 126.224-125.306 + 94.847 161.747 0.000 0.000 + 117.698 43.046 140.713 -53.389 + 119.971 138.397 121.019-130.477 + 93.238 130.795 106.266-106.903 + 121.194 -30.108 119.058-124.275 + 119.533 0.000 120.399 -80.385 + # 186 total E -3.95053E+01 rmsd from N 0.000 %NC 0.00 + 116.644-143.461 152.557-148.072 + 121.290-175.658 169.603-165.944 + 130.970 -73.740 167.337 156.520 + 90.035 60.568 132.398-101.957 + 89.501 38.037 83.231 -72.659 + 90.501 51.601 176.491 176.920 + 90.038 54.183 128.442 133.376 + 90.175 68.714 136.797-127.802 + 90.624 -94.487 133.124-112.646 + 121.019 176.181 0.000 0.000 + 130.909 -76.279 0.000 0.000 + 117.085 -88.395 103.306-103.100 + 92.713 35.974 114.227 -76.463 + 106.850-106.116 115.406 -77.846 + 95.147 152.116 0.000 0.000 + 93.640 79.621 140.400-118.244 + 111.330-169.623 95.441-102.971 + 91.667 46.366 105.944-113.444 + 101.894 152.586 128.850-146.435 + 119.452 0.000 148.249 -63.372 + # 187 total E -3.78737E+01 rmsd from N 0.000 %NC 0.00 + 114.755 -44.812 145.753 -32.014 + 93.435 123.620 155.959-140.232 + 126.667 -84.512 172.143 165.613 + 91.660 62.224 139.672 -93.217 + 91.375 37.064 107.882-105.864 + 91.530 54.370 96.740-120.030 + 90.372 39.936 142.212-154.027 + 91.492 66.689 138.147-135.284 + 92.289 15.626 142.232-119.926 + 116.495-165.758 0.000 0.000 + 130.339 -59.659 0.000 0.000 + 117.055 -82.215 110.868-112.007 + 91.318 81.675 133.677-127.139 + 93.705 25.170 110.735 -78.720 + 120.837-163.437 0.000 0.000 + 128.515-104.597 141.760 173.476 + 116.562 26.143 127.017-139.079 + 92.226 57.999 104.649-112.140 + 103.835-122.765 85.440 -91.838 + 120.879 0.000 147.502-112.335 + # 188 total E -3.76389E+01 rmsd from N 0.000 %NC 0.00 + 119.072 -93.777 109.915 -77.681 + 115.167 179.995 148.730-144.861 + 92.100 73.385 128.254 -39.390 + 91.246 49.681 150.706 -91.329 + 90.642 41.293 123.713 -89.378 + 90.848 51.397 103.063-131.394 + 90.341 42.922 141.653 -55.674 + 91.504 73.328 137.745-130.928 + 93.119 46.637 139.340-116.654 + 137.298 -67.027 0.000 0.000 + 120.462 -23.477 0.000 0.000 + 113.332-147.072 127.782-138.191 + 130.332 178.669 119.074 -80.341 + 94.813 132.108 114.744 -76.556 + 136.749 -78.762 0.000 0.000 + 94.387 37.697 113.827 30.595 + 129.424 24.800 113.985-112.417 + 92.671 53.242 109.960-120.865 + 112.602 67.825 112.895-120.540 + 118.779 0.000 118.114 -82.442 + # 189 total E -3.63172E+01 rmsd from N 0.000 %NC 0.00 + 113.989 -46.331 152.402-149.084 + 91.596 72.287 138.996-131.491 + 91.185 67.753 176.452-177.507 + 89.879 56.738 138.242 -89.937 + 89.972 41.580 116.399-102.480 + 90.153 52.558 101.923-128.124 + 89.823 42.781 143.468 -41.222 + 89.998 60.682 135.882-136.244 + 91.344 37.083 136.833-111.338 + 95.960 63.849 0.000 0.000 + 92.991 35.683 0.000 0.000 + 94.327 172.105 129.068-150.504 + 121.813 175.812 148.287-134.382 + 125.963 -93.043 121.685 -80.101 + 124.717-178.327 0.000 0.000 + 129.437-104.445 140.084 79.403 + 123.297 25.152 120.521-126.298 + 93.928 52.142 121.742-140.425 + 113.093 148.623 123.490-133.538 + 93.731 0.000 115.193 -77.975 + # 190 total E -3.60124E+01 rmsd from N 0.000 %NC 0.00 + 93.744 109.365 149.496-130.135 + 92.813 113.042 152.069-147.071 + 124.933 -95.262 168.158 176.827 + 91.688 52.176 147.239-106.007 + 90.872 36.905 95.440 -59.396 + 91.960 53.403 157.043 115.738 + 90.458 41.713 141.232 -56.838 + 91.558 67.870 136.827-139.261 + 92.423 13.441 143.637-130.229 + 117.142-164.241 0.000 0.000 + 131.033 -49.899 0.000 0.000 + 106.845 175.911 98.614 -90.427 + 125.002-179.576 121.133 -80.322 + 124.658 178.684 119.895 -76.816 + 123.572 42.039 0.000 0.000 + 93.658 37.514 138.236-135.745 + 118.921 135.807 117.997-126.263 + 93.446 129.903 122.922-144.946 + 118.914 -24.421 122.637-128.945 + 93.614 0.000 135.024-119.048 + # 191 total E -3.55711E+01 rmsd from N 0.000 %NC 0.00 + 116.909-134.959 152.709-151.436 + 115.629 165.815 123.333 -56.629 + 93.231 65.845 96.580 -79.935 + 114.462 96.413 163.069-115.483 + 91.377 -68.310 139.006 164.663 + 91.338 104.424 176.463-136.714 + 92.366 22.595 133.731 -84.299 + 94.293 79.137 138.767-148.927 + 92.691 -96.103 149.908 -19.109 + 94.593 105.101 0.000 0.000 + 95.310 158.096 0.000 0.000 + 92.789 94.175 108.859-121.269 + 123.968-100.368 119.331 -80.958 + 126.048 -64.328 149.406 -63.919 + 128.956 -21.720 0.000 0.000 + 127.324 -84.704 140.433 167.097 + 121.865 135.614 118.242-123.553 + 125.601-112.810 110.978-107.954 + 115.169 113.782 128.891-139.311 + 93.446 0.000 114.330 -77.759 + # 192 total E -3.34040E+01 rmsd from N 0.000 %NC 0.00 + 120.690-135.739 140.017 -13.543 + 123.496 -58.013 166.676 -11.407 + 114.426 86.960 156.722 1.383 + 125.929 -42.442 164.177 149.585 + 90.683 70.200 111.091-100.423 + 90.805 58.269 125.537 36.953 + 90.731 40.599 148.681-172.185 + 92.373 64.550 133.196-135.665 + 92.761 -64.745 140.004-123.975 + 112.073-167.461 0.000 0.000 + 148.561 -53.719 0.000 0.000 + 118.428 177.093 124.112-131.182 + 124.047-178.391 131.752 4.763 + 120.286 -62.485 144.477 -68.379 + 127.461 -4.617 0.000 0.000 + 94.635 145.871 146.732 -62.865 + 123.043 52.906 119.504-124.881 + 93.934 130.797 104.801-114.604 + 118.890 154.170 123.636-131.461 + 93.777 0.000 115.066 -77.596 + # 193 total E -3.33570E+01 rmsd from N 0.000 %NC 0.00 + 93.595 118.487 142.968-131.417 + 131.858 -99.607 176.418-157.913 + 116.782-167.549 102.367-104.392 + 93.096 59.277 172.880-179.948 + 90.804 40.182 131.753-103.006 + 90.770 55.165 98.561-138.211 + 90.965 50.097 144.044-124.026 + 91.369 42.337 136.525-128.595 + 93.607 23.715 107.665 -76.565 + 138.355 1.917 0.000 0.000 + 142.735 -26.106 0.000 0.000 + 112.478 -71.057 84.117 -81.070 + 93.348 -9.154 115.258 -74.986 + 131.781 78.029 160.011-108.936 + 118.813 165.172 0.000 0.000 + 122.187 42.592 165.103 -86.591 + 93.468 126.085 97.789-139.932 + 124.072-111.048 119.997-122.512 + 118.041-113.230 121.285-125.224 + 94.616 0.000 116.330 -77.578 + # 194 total E -3.19981E+01 rmsd from N 0.000 %NC 0.00 + 110.820 -34.414 146.430-111.015 + 93.326 -30.475 152.488-152.834 + 136.795-109.920 92.997 -96.104 + 92.003 77.563 137.791 -98.388 + 92.102 166.727 119.280-108.361 + 122.613 164.359 157.036 100.380 + 91.176 73.522 151.109 -35.874 + 91.901 94.079 126.149 -94.017 + 92.436 21.821 132.974-139.998 + 123.366 -77.687 0.000 0.000 + 115.902-161.792 0.000 0.000 + 125.731-178.124 129.590-133.634 + 99.188 131.830 117.788 -78.858 + 120.323 -77.467 116.317 -79.590 + 113.996 -7.867 0.000 0.000 + 116.964 -64.648 141.715-163.989 + 120.096-161.323 113.555-115.461 + 91.968 49.342 108.008-116.779 + 99.556 -21.626 128.549-147.338 + 118.625 0.000 117.786 -78.769 + # 195 total E -3.02332E+01 rmsd from N 0.000 %NC 0.00 + 93.638 31.340 144.286-143.296 + 93.574-114.072 142.714 -53.641 + 91.969 69.223 176.410-175.881 + 89.620 45.441 136.595 -90.453 + 89.325 47.881 109.235 -87.633 + 89.447 48.992 123.032 -31.641 + 90.311 49.226 150.268 -23.276 + 91.132 62.941 179.982 22.032 + 92.557 -3.523 113.175 -82.171 + 114.439-160.822 0.000 0.000 + 132.958 -48.397 0.000 0.000 + 97.609 -34.146 131.679-155.127 + 93.204 100.416 115.144 -76.215 + 119.007-178.729 140.607 -44.295 + 120.381 38.475 0.000 0.000 + 113.664 85.394 127.527-143.900 + 128.574-168.585 115.300-116.400 + 93.426 120.128 104.975-105.943 + 106.982 -25.748 95.633 -98.027 + 93.522 0.000 115.048 -77.211 + # 196 total E -2.28351E+01 rmsd from N 0.000 %NC 0.00 + 93.712 53.502 109.474 -80.274 + 93.000 172.866 155.073-143.215 + 121.147 169.596 164.227 165.712 + 91.483 68.852 146.371 -97.909 + 89.992 44.140 94.301 -73.022 + 90.758 53.368 139.471-122.554 + 90.132 49.386 145.484-108.924 + 91.101 76.873 133.028-125.085 + 92.496 19.125 104.581 -79.757 + 118.217-164.677 0.000 0.000 + 129.087 -37.632 0.000 0.000 + 116.747-151.018 126.923-134.701 + 125.279-174.666 150.680 -82.022 + 130.267 -62.895 126.627 -80.636 + 139.795 -38.919 0.000 0.000 + 94.658 53.922 129.089 -59.899 + 94.814 24.559 97.715-123.927 + 116.522 51.307 122.657-130.165 + 115.990 -24.403 122.357-131.643 + 119.426 0.000 120.368 -80.326 + # 197 total E -1.90321E+01 rmsd from N 0.000 %NC 0.00 + 115.796 179.517 112.155 -87.939 + 126.332 -94.666 153.096-149.142 + 92.654 72.095 163.257 8.318 + 91.193 53.397 140.770 -83.157 + 90.680 39.043 108.387-106.715 + 90.539 54.592 99.526-122.371 + 90.105 40.637 144.917 -30.540 + 91.023 73.027 136.258-135.504 + 91.902 -38.098 138.240 -52.948 + 113.114 80.214 0.000 0.000 + 132.477 -61.391 0.000 0.000 + 125.127 170.018 117.536-116.739 + 94.181 98.503 114.013 -77.096 + 121.657-116.667 143.863 -43.969 + 130.143-101.328 0.000 0.000 + 114.228 24.468 136.893 -66.940 + 118.586 25.109 122.203-130.972 + 114.469 51.520 123.123-132.210 + 93.631 12.657 95.446 -94.193 + 118.916 0.000 118.502 -81.964 + # 198 total E 1.35279E+20 rmsd from N 0.000 %NC 0.00 + 107.954 -12.884 120.271 -73.477 + 89.195 -50.641 152.187 -29.503 + 112.086 129.074 121.758 -40.116 + 105.537 46.303 143.671 -66.882 + 93.926 49.597 136.009-151.522 + 118.906 44.844 145.430 -24.646 + 91.058 45.648 165.466-155.635 + 163.700 47.345 93.108 -10.040 + 89.738 43.201 134.109-138.985 + 160.013 77.736 0.000 0.000 + 141.332 -13.216 0.000 0.000 + 142.547 1.822 126.987-149.691 + 119.636 62.158 100.320 -73.518 + 108.741-103.407 132.875 -6.242 + 129.443 -61.536 0.000 0.000 + 103.472 -52.281 176.601-164.303 + 160.677 7.927 135.855 157.975 + 81.348-136.783 96.808 -77.531 + 120.581-117.170 126.541-139.010 + 121.707 0.000 87.773 -59.096 + # 199 total E 1.35279E+20 rmsd from N 0.000 %NC 0.00 + 91.157 128.229 131.756-135.562 + 106.525 -30.351 136.199 -92.983 + 136.455-113.615 108.535 -94.067 + 116.502 45.092 163.091-125.450 + 104.567 49.860 152.265-150.276 + 142.280 40.259 104.774 -93.348 + 66.460 47.865 166.875-115.027 + 65.509 42.902 172.298 -18.606 + 92.950 44.699 128.600-116.121 + 90.745 -97.825 0.000 0.000 + 114.742 15.763 0.000 0.000 + 140.348 113.015 139.669-169.257 + 101.791-156.445 104.836 -66.321 + 115.690-120.663 145.310 -13.958 + 143.517 24.215 0.000 0.000 + 85.341 94.746 148.026-126.936 + 123.709-176.700 119.528-128.764 + 97.208 98.265 109.139-133.206 + 101.194 -47.859 100.072-125.107 + 115.998 0.000 130.757-150.360 + # 200 total E 1.35279E+20 rmsd from N 0.000 %NC 0.00 + 90.879 118.222 159.356-102.370 + 69.650-163.401 171.102-166.862 + 118.835-166.290 132.450 -15.421 + 131.922 49.506 152.339 -46.780 + 103.058 40.325 158.227-147.957 + 113.862 43.458 149.120 24.052 + 164.740 46.344 93.695 23.808 + 125.566 46.993 158.832 -40.617 + 85.672 41.036 154.217 3.512 + 133.628 29.291 0.000 0.000 + 114.855 65.328 0.000 0.000 + 117.462 29.321 118.495-123.333 + 108.281 17.568 95.802 -60.210 + 143.300 50.429 133.128 -63.599 + 125.975 -0.858 0.000 0.000 + 134.056 -85.310 158.818 -69.103 + 115.119 -70.207 116.299-112.564 + 150.835-105.835 124.555-157.638 + 89.085 0.145 104.851-109.094 + 105.898 0.000 147.020 -20.359 diff --git a/examples/unres/CSA/GAB/CSA/global/restrained/1l2y_csa.CSA.seed b/examples/unres/CSA/GAB/CSA/global/restrained/1l2y_csa.CSA.seed new file mode 100644 index 0000000..aae909d --- /dev/null +++ b/examples/unres/CSA/GAB/CSA/global/restrained/1l2y_csa.CSA.seed @@ -0,0 +1,5 @@ + 1 2 42169 15 -90.108 8 -87.444 191 -90.761 101 -90.194 197 -89.188 + 37 -89.075 13 -88.871 81 -88.736 125 -88.844 65 -89.446 + 135 -88.680 59 -88.574 187 -88.515 142 -88.225 50 -88.222 + 12 -88.124 4 -88.116 158 -88.861 199 -87.921 45 -87.827 + diff --git a/examples/unres/CSA/GAB/CSA/global/restrained/1l2y_csa.inp b/examples/unres/CSA/GAB/CSA/global/restrained/1l2y_csa.inp new file mode 100644 index 0000000..e8b3fbd --- /dev/null +++ b/examples/unres/CSA/GAB/CSA/global/restrained/1l2y_csa.inp @@ -0,0 +1,40 @@ +1l2y +SEED=-3059743 CSA MINIMIZE RESCALE_MODE=0 OVERLAP NOSEARCHSC +MAXMIN=3000 MAXFUN=1000 +NCONF=200 NSTMAX=300000 N1=5 N2=5 N6=10 N3=0 N4=0 N8=0 IS1=1 IS2=25 NSEED=20 & +NTOTAL=10000 CUT1=2.0 CUT2=5.0 ESTOP=-900000.0 IRESTART=0 NCONF_IN=0 & +DELE=30.0 DIFCUT=720.0 IREF=0 RMSCUT=3.5 IZ_SC=1 PNCCUT=0.6 & +ICMAX=1 IUCUT=2 NBANKM=200 +WLONG=1.35279 WSCP=1.59304 WELEC=0.71534 WBOND=1.00000 WANG=1.13873 & +WSCLOC=0.16258 WTOR=1.98599 WTORD=1.57069 WCORRH=0.42887 WCORR5=0.00000 & +WCORR6=0.00000 WEL_LOC=0.16036 WTURN3=1.68722 WTURN4=0.66230 WTURN6=0.00000 & +WVDWPP=0.11371 WHPB=1.00000 WSCCOR=0.00000 & +CUTOFF=7.00000 WCORR4=0.00000 +22 + D ASN LEU TYR ILE GLN TRP LEU LYS ASP GLY GLY PRO SER SER GLY ARG PRO PRO PRO + SER D +0 +22 +0.000 + 1 0.000 180.000 + 2 0.000 180.000 + 3 0.000 180.000 + 4 0.000 180.000 + 5 0.000 180.000 + 6 0.000 180.000 + 7 45.000 5.000 + 8 45.000 5.000 + 9 45.000 5.000 + 10 45.000 5.000 + 11 45.000 5.000 + 12 45.000 5.000 + 13 0.000 180.000 + 14 0.000 180.000 + 15 0.000 180.000 + 16 0.000 180.000 + 17 0.000 180.000 + 18 0.000 180.000 + 19 0.000 180.000 + 20 0.000 180.000 + 21 0.000 180.000 + 22 0.000 180.000 diff --git a/examples/unres/CSA/GAB/CSA/global/restrained/1l2y_csa.intin b/examples/unres/CSA/GAB/CSA/global/restrained/1l2y_csa.intin new file mode 100644 index 0000000..e69de29 diff --git a/examples/unres/CSA/GAB/CSA/global/restrained/1l2y_csa.out_GB000 b/examples/unres/CSA/GAB/CSA/global/restrained/1l2y_csa.out_GB000 new file mode 100644 index 0000000..c348089 --- /dev/null +++ b/examples/unres/CSA/GAB/CSA/global/restrained/1l2y_csa.out_GB000 @@ -0,0 +1,55284 @@ +-------------------------------------------------------------------------------- + FILE ASSIGNMENT +-------------------------------------------------------------------------------- + Input file : 1l2y_csa.inp + Output file : 1l2y_csa.out_GB000 + + Sidechain potential file : + /users/bartek/UNRESPACK/unres/PARAM/sc_GB_opt.1gab_3S_qclass5no310-shan2-sc-16- + 10-8k + SCp potential file : /users/bartek/UNRESPACK/unres/PARAM/scp.parm + Electrostatic potential file : + /users/bartek/UNRESPACK/unres/PARAM/electr_631Gdp.parm + Cumulant coefficient file : + /users/bartek/UNRESPACK/unres/PARAM/fourier_opt.parm.1igd_hc_iter3_3 + Torsional parameter file : + /users/bartek/UNRESPACK/unres/PARAM/torsion_631Gdp.parm + Double torsional parameter file : + /users/bartek/UNRESPACK/unres/PARAM/torsion_double_631Gdp.parm + SCCOR parameter file : /users/bartek/UNRESPACK/unres/PARAM/rotcorr_AM1.parm + Bond & inertia constant file : /users/bartek/UNRESPACK/unres/PARAM/bond.parm + Bending parameter file : + /users/bartek/UNRESPACK/unres/PARAM/thetaml.5parm + Rotamer parameter file : + /users/bartek/UNRESPACK/unres/PARAM/scgauss.parm + Threading database : + /users/bartek/UNRESPACK/unres/PARAM/patterns.cart +-------------------------------------------------------------------------------- +******************************************************************************** +United-residue force field calculation - parallel job. +******************************************************************************** + ### LAST MODIFIED 11/03/09 1:19PM by czarek + ++++ Compile info ++++ + Version CSA and DFA only + +Potential is GB , exponents are 6 12 + +Disulfide bridge parameters: +S-S bridge energy: -5.50 +d0cm: 3.78 akcm: 15.10 +akth: 11.00 akct: 12.00 +v1ss: -1.08 v2ss: 7.61 v3ss: 13.70 + MPI: node= 0 iseed= -3059742 + ran_num 0.273754117333397 +RMSDBC = 3.0 +RMSDBC1 = 0.5 +RMSDBC1MAX = 1.5 +DRMS = 0.1 +RMSDBCM = 3.0 +Time limit (min): 960.0 + RESCALE_MODE 0 +Library routine used to diagonalize matrices. + +******************************************************************************** + Options in energy minimization: +******************************************************************************** +MaxMin: 3000 MaxFun: 1000MinMin: 3000 MinFun: 3000 TolF: 1.00000E-02 RTolF: 1.00000E-04 + NCONF_IN 0 + +Energy-term weights (unscaled): + +WSCC= 1.352790 (SC-SC) +WSCP= 1.593040 (SC-p) +WELEC= 0.715340 (p-p electr) +WVDWPP= 0.113710 (p-p VDW) +WBOND= 1.000000 (stretching) +WANG= 1.138730 (bending) +WSCLOC= 0.162580 (SC local) +WTOR= 1.985990 (torsional) +WTORD= 1.570690 (double torsional) +WSTRAIN= 1.000000 (SS bridges & dist. cnstr.) +WEL_LOC= 0.160360 (multi-body 3-rd order) +WCORR4= 0.428870 (multi-body 4th order) +WCORR5= 0.000000 (multi-body 5th order) +WCORR6= 0.000000 (multi-body 6th order) +WSCCOR= 0.000000 (back-scloc correlation) +WTURN3= 1.687220 (turns, 3rd order) +WTURN4= 0.662300 (turns, 4th order) +WTURN6= 0.000000 (turns, 6th order) +WDFA_D= 0.000000 (DFA, distance) +WDFA_T= 0.000000 (DFA, torsional) +WDFA_N= 0.000000 (DFA, number of neighbor) +WDFA_B= 0.000000 (DFA, beta formation) + +Hydrogen-bonding correlation between contact pairs of peptide groups + +Scaling factor of 1,4 SC-p interactions: 0.400 +General scaling factor of SC-p interactions: 1.000 + +Energy-term weights (scaled): + +WSCC= 1.352790 (SC-SC) +WSCP= 1.593040 (SC-p) +WELEC= 0.715340 (p-p electr) +WVDWPP= 0.113710 (p-p VDW) +WBOND= 1.000000 (stretching) +WANG= 1.138730 (bending) +WSCLOC= 0.162580 (SC local) +WTOR= 1.985990 (torsional) +WTORD= 1.570690 (double torsional) +WSTRAIN= 1.000000 (SS bridges & dist. cnstr.) +WEL_LOC= 0.160360 (multi-body 3-rd order) +WCORR4= 0.428870 (multi-body 4th order) +WCORR5= 0.000000 (multi-body 5th order) +WCORR6= 0.000000 (multi-body 6th order) +WSCCOR= 0.000000 (back-scloc correlatkion) +WTURN3= 1.687220 (turns, 3rd order) +WTURN4= 0.662300 (turns, 4th order) +WTURN6= 0.000000 (turns, 6th order) +WDFA_D= 0.000000 (DFA, distance) +WDFA_T= 0.000000 (DFA, torsional) +WDFA_N= 0.000000 (DFA, number of neighbor) +WDFA_B= 0.000000 (DFA, beta formation) + Reference temperature for weights calculation: 300.000000000000 + Parameters of the SS-bond potential: + D0CM 3.78000000000000 AKCM 15.1000000000000 AKTH + 11.0000000000000 AKCT 12.0000000000000 + V1SS -1.08000000000000 V2SS 7.61000000000000 V3SS + 13.7000000000000 + EBR -5.50000000000000 + ITEL + 1 21 0 + 2 14 1 + 3 5 1 + 4 8 1 + 5 4 1 + 6 13 1 + 7 7 1 + 8 5 1 + 9 19 1 + 10 16 1 + 11 10 1 + 12 10 2 + 13 20 1 + 14 12 1 + 15 12 1 + 16 10 1 + 17 18 2 + 18 20 2 + 19 20 2 + 20 20 1 + 21 12 0 + ns= 0 iss: + There are 22 constraints on phi angles. + 1 0.000 180.000 + 2 0.000 180.000 + 3 0.000 180.000 + 4 0.000 180.000 + 5 0.000 180.000 + 6 0.000 180.000 + 7 45.000 5.000 + 8 45.000 5.000 + 9 45.000 5.000 + 10 45.000 5.000 + 11 45.000 5.000 + 12 45.000 5.000 + 13 0.000 180.000 + 14 0.000 180.000 + 15 0.000 180.000 + 16 0.000 180.000 + 17 0.000 180.000 + 18 0.000 180.000 + 19 0.000 180.000 + 20 0.000 180.000 + 21 0.000 180.000 + 22 0.000 180.000 + FTORS 0.000000000000000E+000 +Boundaries in phi angle sampling: +D 1 -180.0 180.0 +ASN 2 -180.0 180.0 +LEU 3 -180.0 180.0 +TYR 4 -180.0 180.0 +ILE 5 -180.0 180.0 +GLN 6 -180.0 180.0 +TRP 7 40.0 50.0 +LEU 8 40.0 50.0 +LYS 9 40.0 50.0 +ASP 10 40.0 50.0 +GLY 11 40.0 50.0 +GLY 12 40.0 50.0 +PRO 13 -180.0 180.0 +SER 14 -180.0 180.0 +SER 15 -180.0 180.0 +GLY 16 -180.0 180.0 +ARG 17 -180.0 180.0 +PRO 18 -180.0 180.0 +PRO 19 -180.0 180.0 +PRO 20 -180.0 180.0 +SER 21 -180.0 180.0 +D 22 -180.0 180.0 + NZ_START= 2 NZ_END= 21 + IZ_SC= 0 + +Geometry of the virtual chain. + Res d Theta Gamma Dsc Alpha Beta +D 1 0.000 0.000 0.000 0.000 0.000 0.000 +ASN 2 3.800 0.000 0.000 1.684 0.000 0.000 +LEU 3 3.800 0.000 0.000 1.939 0.000 0.000 +TYR 4 3.800 0.000 0.000 2.484 0.000 0.000 +ILE 5 3.800 0.000 0.000 1.776 0.000 0.000 +GLN 6 3.800 0.000 0.000 2.240 0.000 0.000 +TRP 7 3.800 0.000 0.000 2.605 0.000 0.000 +LEU 8 3.800 0.000 0.000 1.939 0.000 0.000 +LYS 9 3.800 0.000 0.000 2.541 0.000 0.000 +ASP 10 3.800 0.000 0.000 1.709 0.000 0.000 +GLY 11 3.800 0.000 0.000 0.000 0.000 0.000 +GLY 12 3.800 0.000 0.000 0.000 0.000 0.000 +PRO 13 3.800 0.000 0.000 1.345 0.000 0.000 +SER 14 3.800 0.000 0.000 1.150 0.000 0.000 +SER 15 3.800 0.000 0.000 1.150 0.000 0.000 +GLY 16 3.800 0.000 0.000 0.000 0.000 0.000 +ARG 17 3.800 0.000 0.000 3.020 0.000 0.000 +PRO 18 3.800 0.000 0.000 1.345 0.000 0.000 +PRO 19 3.800 0.000 0.000 1.345 0.000 0.000 +PRO 20 3.800 0.000 0.000 1.345 0.000 0.000 +SER 21 3.800 0.000 0.000 1.150 0.000 0.000 +D 22 3.800 0.000 0.000 0.000 0.000 0.000 + + +******************************************************************************** + Processor 0: end reading molecular data. +******************************************************************************** + + +CSA calculations calculation. + +Conformations will be energy-minimized. +******************************************************************************** + + + # of groups: 37 + 1 2 1 2 1 2 2 1 + 2 2 1 3 1 2 3 1 + 3 2 1 4 1 2 4 1 + 4 2 1 5 1 2 5 1 + 5 2 1 6 1 2 6 1 + 6 2 1 7 1 2 7 1 + 7 2 1 8 1 2 8 1 + 8 2 1 9 1 2 9 1 + 9 2 1 10 1 2 10 1 + 10 2 1 11 1 2 11 1 + 11 2 1 12 1 2 12 1 + 12 2 1 13 1 2 13 1 + 13 2 1 14 1 2 14 1 + 14 2 1 15 1 2 15 1 + 15 2 1 16 1 2 16 1 + 16 2 1 17 1 2 17 1 + 17 2 1 18 1 2 18 1 + 18 2 1 19 1 2 19 1 + 19 2 1 20 1 2 20 1 + 20 1 1 21 1 + 21 2 3 2 1 4 2 1 + 22 2 3 3 1 4 3 1 + 23 2 3 4 1 4 4 1 + 24 2 3 5 1 4 5 1 + 25 2 3 6 1 4 6 1 + 26 2 3 7 1 4 7 1 + 27 2 3 8 1 4 8 1 + 28 2 3 9 1 4 9 1 + 29 2 3 10 1 4 10 1 + 30 2 3 13 1 4 13 1 + 31 2 3 14 1 4 14 1 + 32 2 3 15 1 4 15 1 + 33 2 3 17 1 4 17 1 + 34 2 3 18 1 4 18 1 + 35 2 3 19 1 4 19 1 + 36 2 3 20 1 4 20 1 + 37 2 3 21 1 4 21 1 + NCONF_IN 0 + +Geometry of the virtual chain. + Res d Theta Gamma Dsc Alpha Beta +D 1 0.000 0.000 0.000 0.000 0.000 0.000 +ASN 2 3.800 0.000 0.000 1.684 117.433 -123.282 +LEU 3 3.800 103.337 0.000 1.939 149.062 -30.326 +TYR 4 3.800 104.310 100.718 2.484 89.790 -93.973 +ILE 5 3.800 128.994 -150.632 1.776 166.306 -124.358 +GLN 6 3.800 112.119 48.740 2.240 166.235 155.911 +TRP 7 3.800 91.554 45.826 2.605 140.803 -160.115 +LEU 8 3.800 119.612 48.136 1.939 156.304 -19.366 +LYS 9 3.800 94.091 43.030 2.541 147.368 164.161 +ASP 10 3.800 146.980 40.064 1.709 89.397 -84.445 +GLY 11 3.800 171.000 42.422 0.000 0.000 0.000 +GLY 12 3.800 111.636 44.982 0.000 0.000 0.000 +PRO 13 3.800 117.110 5.613 1.345 101.537 -99.090 +SER 14 3.800 79.451 11.962 1.150 155.687 -71.095 +SER 15 3.800 91.900 -145.772 1.150 170.242 -158.874 +GLY 16 3.800 124.021 113.687 0.000 0.000 0.000 +ARG 17 3.800 126.025 -31.416 3.020 130.865 -96.211 +PRO 18 3.800 128.809 26.439 1.345 116.626 -132.086 +PRO 19 3.800 135.910 -163.559 1.345 114.569 -124.607 +PRO 20 3.800 100.453 4.733 1.345 112.314 -123.232 +SER 21 3.800 125.524 137.375 1.150 148.014 -88.634 +D 22 3.800 133.899 69.943 0.000 0.000 0.000 + +Geometry of the virtual chain. + Res d Theta Gamma Dsc Alpha Beta +D 1 0.000 0.000 0.000 0.000 0.000 0.000 +ASN 2 3.800 0.000 0.000 1.684 134.991 -116.169 +LEU 3 3.800 119.719 0.000 1.939 141.049 -51.752 +TYR 4 3.800 94.241 -169.605 2.484 145.329 -143.657 +ILE 5 3.800 137.145 -43.981 1.776 137.293 -63.886 +GLN 6 3.800 160.917 -24.821 2.240 156.905 160.971 +TRP 7 3.800 153.971 40.849 2.605 151.697 -179.454 +LEU 8 3.800 139.457 40.450 1.939 144.181 -96.101 +LYS 9 3.800 98.114 40.059 2.541 146.079 -102.555 +ASP 10 3.800 111.438 46.457 1.709 136.373 -97.499 +GLY 11 3.800 110.216 43.984 0.000 0.000 0.000 +GLY 12 3.800 109.173 44.232 0.000 0.000 0.000 +PRO 13 3.800 101.707 -61.453 1.345 112.077 -122.466 +SER 14 3.800 118.484 137.796 1.150 139.760 -47.340 +SER 15 3.800 103.168 17.990 1.150 137.497 -57.992 +GLY 16 3.800 133.787 -67.653 0.000 0.000 0.000 +ARG 17 3.800 119.771 168.595 3.020 143.758 -92.015 +PRO 18 3.800 92.337 -132.916 1.345 122.173 -135.179 +PRO 19 3.800 131.678 95.450 1.345 89.539 -108.688 +PRO 20 3.800 83.584 -34.213 1.345 122.333 -135.222 +SER 21 3.800 126.769 164.029 1.150 96.939 -57.430 +D 22 3.800 126.344 -96.422 0.000 0.000 0.000 + +Geometry of the virtual chain. + Res d Theta Gamma Dsc Alpha Beta +D 1 0.000 0.000 0.000 0.000 0.000 0.000 +ASN 2 3.800 0.000 0.000 1.684 142.543 -52.231 +LEU 3 3.800 90.633 0.000 1.939 140.389 -109.937 +TYR 4 3.800 98.532 48.176 2.484 141.499 -145.212 +ILE 5 3.800 122.813 114.767 1.776 170.152 -95.594 +GLN 6 3.800 131.000 -65.086 2.240 135.527 -27.949 +TRP 7 3.800 64.270 46.230 2.605 136.322 0.186 +LEU 8 3.800 104.611 48.739 1.939 143.953 -143.192 +LYS 9 3.800 117.007 44.557 2.541 178.372 -85.234 +ASP 10 3.800 127.243 45.886 1.709 88.372 -72.258 +GLY 11 3.800 151.821 48.402 0.000 0.000 0.000 +GLY 12 3.800 101.146 48.698 0.000 0.000 0.000 +PRO 13 3.800 118.844 100.240 1.345 123.519 -137.204 +SER 14 3.800 126.070 -141.924 1.150 86.276 -52.985 +SER 15 3.800 121.125 62.334 1.150 105.288 -66.192 +GLY 16 3.800 111.585 16.524 0.000 0.000 0.000 +ARG 17 3.800 153.348 101.493 3.020 145.356 -111.380 +PRO 18 3.800 123.511 -150.847 1.345 92.087 -129.245 +PRO 19 3.800 96.483 29.553 1.345 96.779 -107.107 +PRO 20 3.800 97.974 65.714 1.345 132.879 -169.555 +SER 21 3.800 146.864 10.386 1.150 152.012 -46.536 +D 22 3.800 120.696 98.224 0.000 0.000 0.000 + +Geometry of the virtual chain. + Res d Theta Gamma Dsc Alpha Beta +D 1 0.000 0.000 0.000 0.000 0.000 0.000 +ASN 2 3.800 0.000 0.000 1.684 148.519 -147.422 +LEU 3 3.800 100.837 0.000 1.939 154.681 -80.198 +TYR 4 3.800 103.732 -142.925 2.484 145.093 -24.070 +ILE 5 3.800 99.830 8.889 1.776 170.224 -168.291 +GLN 6 3.800 130.556 102.102 2.240 143.857 104.603 +TRP 7 3.800 114.839 40.330 2.605 156.064 -177.439 +LEU 8 3.800 118.202 47.513 1.939 169.200 -131.078 +LYS 9 3.800 87.774 49.693 2.541 126.904 62.070 +ASP 10 3.800 153.869 41.631 1.709 147.760 -5.070 +GLY 11 3.800 108.866 45.942 0.000 0.000 0.000 +GLY 12 3.800 99.186 49.901 0.000 0.000 0.000 +PRO 13 3.800 117.258 172.836 1.345 124.494 -179.021 +SER 14 3.800 154.983 -85.900 1.150 146.670 -64.904 +SER 15 3.800 101.836 -108.725 1.150 159.348 -122.179 +GLY 16 3.800 110.413 55.028 0.000 0.000 0.000 +ARG 17 3.800 133.484 107.391 3.020 117.589 -83.703 +PRO 18 3.800 135.704 -27.978 1.345 136.676 162.534 +PRO 19 3.800 157.607 -124.125 1.345 100.010 -111.138 +PRO 20 3.800 96.934 94.241 1.345 115.698 -88.687 +SER 21 3.800 61.390 153.441 1.150 85.873 -41.147 +D 22 3.800 164.100 175.557 0.000 0.000 0.000 + +Geometry of the virtual chain. + Res d Theta Gamma Dsc Alpha Beta +D 1 0.000 0.000 0.000 0.000 0.000 0.000 +ASN 2 3.800 0.000 0.000 1.684 142.619 -52.855 +LEU 3 3.800 120.082 0.000 1.939 147.031 -114.679 +TYR 4 3.800 114.596 154.545 2.484 108.992 -99.593 +ILE 5 3.800 117.296 132.516 1.776 149.563 -68.567 +GLN 6 3.800 100.254 162.711 2.240 143.303 -130.665 +TRP 7 3.800 93.254 42.798 2.605 145.074 -17.980 +LEU 8 3.800 116.499 48.331 1.939 155.433 -0.988 +LYS 9 3.800 92.587 47.605 2.541 128.118 -25.506 +ASP 10 3.800 126.556 44.314 1.709 127.956 -87.203 +GLY 11 3.800 93.710 49.519 0.000 0.000 0.000 +GLY 12 3.800 132.773 47.443 0.000 0.000 0.000 +PRO 13 3.800 127.399 -24.107 1.345 97.074 -114.524 +SER 14 3.800 91.104 177.782 1.150 106.212 -70.202 +SER 15 3.800 104.858 90.747 1.150 103.145 -66.929 +GLY 16 3.800 98.508 -96.483 0.000 0.000 0.000 +ARG 17 3.800 135.639 66.788 3.020 141.200 81.301 +PRO 18 3.800 118.492 55.163 1.345 99.822 -128.095 +PRO 19 3.800 84.583 -107.751 1.345 117.488 -132.617 +PRO 20 3.800 125.324 -164.789 1.345 130.888 -158.640 +SER 21 3.800 140.022 -13.700 1.150 128.110 -67.008 +D 22 3.800 126.525 158.955 0.000 0.000 0.000 + +Geometry of the virtual chain. + Res d Theta Gamma Dsc Alpha Beta +D 1 0.000 0.000 0.000 0.000 0.000 0.000 +ASN 2 3.800 0.000 0.000 1.684 124.855 -83.848 +LEU 3 3.800 118.742 0.000 1.939 147.972 -166.054 +TYR 4 3.800 97.405 -18.446 2.484 122.072 -129.019 +ILE 5 3.800 92.257 14.701 1.776 162.145 -72.677 +GLN 6 3.800 115.209 162.877 2.240 135.594 168.939 +TRP 7 3.800 127.938 47.773 2.605 160.227 12.944 +LEU 8 3.800 84.114 44.265 1.939 154.478 -34.316 +LYS 9 3.800 104.208 47.481 2.541 158.569 162.517 +ASP 10 3.800 76.992 47.426 1.709 86.620 -60.658 +GLY 11 3.800 164.131 47.027 0.000 0.000 0.000 +GLY 12 3.800 108.606 45.310 0.000 0.000 0.000 +PRO 13 3.800 142.729 -109.801 1.345 125.705 -123.380 +SER 14 3.800 110.842 -52.241 1.150 92.920 -63.922 +SER 15 3.800 94.044 -44.928 1.150 141.166 -3.686 +GLY 16 3.800 98.642 -21.434 0.000 0.000 0.000 +ARG 17 3.800 128.779 153.623 3.020 136.656 15.562 +PRO 18 3.800 113.784 -23.115 1.345 119.122 -147.604 +PRO 19 3.800 142.431 -101.068 1.345 120.735 -115.700 +PRO 20 3.800 113.764 -10.829 1.345 92.828 -103.609 +SER 21 3.800 97.406 -110.750 1.150 83.241 -65.764 +D 22 3.800 126.440 40.571 0.000 0.000 0.000 + +Geometry of the virtual chain. + Res d Theta Gamma Dsc Alpha Beta +D 1 0.000 0.000 0.000 0.000 0.000 0.000 +ASN 2 3.800 0.000 0.000 1.684 165.293 -116.877 +LEU 3 3.800 121.030 0.000 1.939 147.493 -33.813 +TYR 4 3.800 108.138 55.611 2.484 137.630 -3.721 +ILE 5 3.800 130.280 -166.256 1.776 161.342 -117.638 +GLN 6 3.800 139.468 64.440 2.240 165.486 -158.335 +TRP 7 3.800 133.004 49.710 2.605 131.998 3.695 +LEU 8 3.800 122.129 47.761 1.939 165.433 -149.121 +LYS 9 3.800 93.234 46.268 2.541 148.959 -149.627 +ASP 10 3.800 120.393 43.913 1.709 153.929 -6.637 +GLY 11 3.800 135.835 46.360 0.000 0.000 0.000 +GLY 12 3.800 99.203 46.844 0.000 0.000 0.000 +PRO 13 3.800 102.760 -113.553 1.345 99.851 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-96.062 +GLY 16 3.800 125.212 143.673 0.000 0.000 0.000 +ARG 17 3.800 126.401 -46.110 3.020 131.056 -136.716 +PRO 18 3.800 99.371 57.990 1.345 91.720 -110.055 +PRO 19 3.800 98.786 -11.642 1.345 125.280 -141.842 +PRO 20 3.800 138.381 -162.440 1.345 128.315 -140.169 +SER 21 3.800 122.221 66.185 1.150 97.985 -63.385 +D 22 3.800 126.833 52.203 0.000 0.000 0.000 + +Geometry of the virtual chain. + Res d Theta Gamma Dsc Alpha Beta +D 1 0.000 0.000 0.000 0.000 0.000 0.000 +ASN 2 3.800 0.000 0.000 1.684 161.791 -31.629 +LEU 3 3.800 122.232 0.000 1.939 116.442 -32.794 +TYR 4 3.800 157.694 -147.585 2.484 134.361 -109.786 +ILE 5 3.800 129.179 155.320 1.776 158.990 -142.769 +GLN 6 3.800 114.973 -151.361 2.240 125.959 -61.962 +TRP 7 3.800 116.568 42.948 2.605 154.753 178.655 +LEU 8 3.800 107.861 47.680 1.939 157.071 -125.106 +LYS 9 3.800 126.417 46.442 2.541 105.124 -75.389 +ASP 10 3.800 140.975 49.469 1.709 151.827 -21.476 +GLY 11 3.800 92.222 44.311 0.000 0.000 0.000 +GLY 12 3.800 122.981 40.538 0.000 0.000 0.000 +PRO 13 3.800 91.300 34.079 1.345 117.138 -151.488 +SER 14 3.800 144.897 111.719 1.150 92.771 -66.095 +SER 15 3.800 128.604 70.036 1.150 86.930 -50.836 +GLY 16 3.800 162.350 147.637 0.000 0.000 0.000 +ARG 17 3.800 107.182 -107.478 3.020 130.685 -55.604 +PRO 18 3.800 118.666 -63.422 1.345 119.454 -129.122 +PRO 19 3.800 125.108 124.152 1.345 98.059 -124.688 +PRO 20 3.800 97.331 -107.177 1.345 117.133 -124.392 +SER 21 3.800 121.070 -82.516 1.150 138.651 -61.235 +D 22 3.800 113.903 77.126 0.000 0.000 0.000 + +Geometry of the virtual chain. + Res d Theta Gamma Dsc Alpha Beta +D 1 0.000 0.000 0.000 0.000 0.000 0.000 +ASN 2 3.800 0.000 0.000 1.684 128.383 -91.362 +LEU 3 3.800 122.046 0.000 1.939 155.721 -9.857 +TYR 4 3.800 119.842 -32.883 2.484 133.066 -144.576 +ILE 5 3.800 129.271 -1.238 1.776 146.812 -115.556 +GLN 6 3.800 119.125 160.833 2.240 157.222 -42.540 +TRP 7 3.800 117.728 45.178 2.605 142.550 -176.505 +LEU 8 3.800 103.608 44.585 1.939 142.480 -125.995 +LYS 9 3.800 130.596 41.146 2.541 162.553 166.117 +ASP 10 3.800 105.351 40.843 1.709 163.603 -41.029 +GLY 11 3.800 122.726 42.706 0.000 0.000 0.000 +GLY 12 3.800 116.356 42.037 0.000 0.000 0.000 +PRO 13 3.800 118.907 -148.980 1.345 138.355 175.793 +SER 14 3.800 152.508 103.010 1.150 149.583 -38.340 +SER 15 3.800 85.838 55.255 1.150 150.509 -81.323 +GLY 16 3.800 93.179 170.111 0.000 0.000 0.000 +ARG 17 3.800 162.030 3.398 3.020 137.098 -54.381 +PRO 18 3.800 62.636 77.143 1.345 109.978 -107.133 +PRO 19 3.800 111.403 176.345 1.345 114.627 -106.388 +PRO 20 3.800 106.805 43.622 1.345 116.473 -124.371 +SER 21 3.800 122.253 -89.865 1.150 149.909 -108.677 +D 22 3.800 122.778 5.555 0.000 0.000 0.000 + +Geometry of the virtual chain. + Res d Theta Gamma Dsc Alpha Beta +D 1 0.000 0.000 0.000 0.000 0.000 0.000 +ASN 2 3.800 0.000 0.000 1.684 145.708 -140.376 +LEU 3 3.800 112.911 0.000 1.939 161.850 -101.892 +TYR 4 3.800 91.991 -177.594 2.484 108.772 -83.994 +ILE 5 3.800 146.542 101.552 1.776 138.579 -98.273 +GLN 6 3.800 123.634 -156.764 2.240 140.423 -78.050 +TRP 7 3.800 91.381 45.281 2.605 150.132 -127.952 +LEU 8 3.800 112.219 49.907 1.939 160.809 -25.068 +LYS 9 3.800 117.961 42.417 2.541 111.692 -108.578 +ASP 10 3.800 149.913 47.064 1.709 150.490 -106.761 +GLY 11 3.800 92.552 47.641 0.000 0.000 0.000 +GLY 12 3.800 129.887 43.373 0.000 0.000 0.000 +PRO 13 3.800 148.588 -44.571 1.345 121.336 -158.431 +SER 14 3.800 148.357 16.238 1.150 96.416 -48.138 +SER 15 3.800 149.336 11.390 1.150 142.265 -67.712 +GLY 16 3.800 122.255 -146.153 0.000 0.000 0.000 +ARG 17 3.800 89.864 6.378 3.020 113.983 -24.963 +PRO 18 3.800 117.386 -76.962 1.345 126.300 -128.188 +PRO 19 3.800 124.206 -19.445 1.345 111.153 -112.795 +PRO 20 3.800 83.402 -150.833 1.345 134.642 -153.100 +SER 21 3.800 137.135 2.880 1.150 90.775 -61.285 +D 22 3.800 149.167 40.498 0.000 0.000 0.000 + +Geometry of the virtual chain. + Res d Theta Gamma Dsc Alpha Beta +D 1 0.000 0.000 0.000 0.000 0.000 0.000 +ASN 2 3.800 0.000 0.000 1.684 145.078 -22.372 +LEU 3 3.800 88.569 0.000 1.939 169.123 -150.015 +TYR 4 3.800 108.187 68.732 2.484 153.466 167.182 +ILE 5 3.800 110.692 -71.535 1.776 162.311 -119.274 +GLN 6 3.800 123.695 169.442 2.240 172.604 81.791 +TRP 7 3.800 153.122 42.244 2.605 145.093 4.587 +LEU 8 3.800 123.909 40.401 1.939 145.258 -152.355 +LYS 9 3.800 135.438 43.082 2.541 162.241 -72.611 +ASP 10 3.800 108.109 44.905 1.709 146.760 -41.135 +GLY 11 3.800 102.296 41.721 0.000 0.000 0.000 +GLY 12 3.800 128.059 47.523 0.000 0.000 0.000 +PRO 13 3.800 112.521 90.297 1.345 133.842 -169.425 +SER 14 3.800 151.008 174.125 1.150 111.976 -79.898 +SER 15 3.800 80.833 86.383 1.150 159.068 -33.061 +GLY 16 3.800 100.791 -28.411 0.000 0.000 0.000 +ARG 17 3.800 120.720 112.928 3.020 134.893 -148.074 +PRO 18 3.800 94.000 10.855 1.345 113.346 -121.970 +PRO 19 3.800 122.702 -137.949 1.345 113.586 -125.345 +PRO 20 3.800 129.290 -139.822 1.345 119.162 -116.370 +SER 21 3.800 109.374 -40.058 1.150 104.455 -64.276 +D 22 3.800 93.482 175.506 0.000 0.000 0.000 + +Geometry of the virtual chain. + Res d Theta Gamma Dsc Alpha Beta +D 1 0.000 0.000 0.000 0.000 0.000 0.000 +ASN 2 3.800 0.000 0.000 1.684 128.231 -81.830 +LEU 3 3.800 137.736 0.000 1.939 132.776 -162.123 +TYR 4 3.800 87.581 137.038 2.484 134.322 -19.484 +ILE 5 3.800 99.172 -168.296 1.776 142.547 -80.106 +GLN 6 3.800 156.243 18.342 2.240 145.781 -146.796 +TRP 7 3.800 112.220 45.501 2.605 150.276 -111.505 +LEU 8 3.800 130.487 47.991 1.939 169.799 -131.378 +LYS 9 3.800 92.109 41.478 2.541 132.616 -99.320 +ASP 10 3.800 105.521 45.579 1.709 122.857 -111.612 +GLY 11 3.800 106.174 46.885 0.000 0.000 0.000 +GLY 12 3.800 76.450 40.595 0.000 0.000 0.000 +PRO 13 3.800 144.063 28.716 1.345 120.524 -121.197 +SER 14 3.800 114.299 -121.705 1.150 91.908 -55.719 +SER 15 3.800 153.748 -149.876 1.150 125.869 -91.224 +GLY 16 3.800 124.861 156.292 0.000 0.000 0.000 +ARG 17 3.800 133.624 103.327 3.020 131.839 115.864 +PRO 18 3.800 98.318 -63.966 1.345 98.265 -90.983 +PRO 19 3.800 75.175 60.565 1.345 123.208 -135.653 +PRO 20 3.800 141.819 59.778 1.345 111.607 -111.065 +SER 21 3.800 113.352 2.612 1.150 95.219 -64.547 +D 22 3.800 131.119 41.504 0.000 0.000 0.000 + +Geometry of the virtual chain. + Res d Theta Gamma Dsc Alpha Beta +D 1 0.000 0.000 0.000 0.000 0.000 0.000 +ASN 2 3.800 0.000 0.000 1.684 150.683 -155.767 +LEU 3 3.800 96.079 0.000 1.939 158.950 -164.046 +TYR 4 3.800 109.418 150.242 2.484 140.404 -6.273 +ILE 5 3.800 86.276 77.394 1.776 162.710 -146.057 +GLN 6 3.800 131.968 20.577 2.240 136.710 62.478 +TRP 7 3.800 95.105 41.502 2.605 145.665 -5.985 +LEU 8 3.800 109.244 40.009 1.939 161.540 -113.759 +LYS 9 3.800 96.233 44.015 2.541 166.837 -63.537 +ASP 10 3.800 76.770 48.210 1.709 147.290 -58.328 +GLY 11 3.800 126.831 46.986 0.000 0.000 0.000 +GLY 12 3.800 127.966 45.359 0.000 0.000 0.000 +PRO 13 3.800 101.139 30.722 1.345 121.894 -133.704 +SER 14 3.800 130.184 12.971 1.150 123.360 -27.653 +SER 15 3.800 123.015 -15.212 1.150 93.851 -54.467 +GLY 16 3.800 153.490 110.397 0.000 0.000 0.000 +ARG 17 3.800 92.719 51.608 3.020 126.003 59.740 +PRO 18 3.800 110.574 -120.139 1.345 118.518 -123.427 +PRO 19 3.800 119.790 35.675 1.345 119.614 -133.886 +PRO 20 3.800 125.635 -33.263 1.345 92.182 -102.863 +SER 21 3.800 79.390 116.473 1.150 113.919 -74.523 +D 22 3.800 91.580 -83.261 0.000 0.000 0.000 +CG Processor: 0: bad sampling box. +CG Processor: 0: bad sampling box. +CG Processor: 0: bad sampling box. +CG Processor: 0: bad sampling box. +CG Processor: 0: bad sampling box. +CG Processor: 0: bad sampling box. +CG Processor: 0: bad sampling box. +CG Processor: 0: bad sampling box. +CG Processor: 0: bad sampling box. +CG Processor: 0: bad sampling box. +CG Processor: 0: bad sampling box. +CG Processor: 0: bad sampling box. +CG Processor: 0: bad sampling box. +CG Processor: 0: bad sampling box. +CG Processor: 0: bad sampling box. +CG Processor: 0: bad sampling box. +CG Processor: 0: bad sampling box. +CG Processor: 0: bad sampling box. +CG Processor: 0: bad sampling box. +CG Processor: 0: bad sampling box. +CG Processor: 0: bad sampling box. +CG Processor: 0: bad sampling box. +CG Processor: 0: bad sampling box. +CG Processor: 0: bad sampling box. +CG Processor: 0: bad sampling box. +CG Processor: 0: bad sampling box. +CG Processor: 0: bad sampling box. +CG Processor: 0: bad sampling box. +CG Processor: 0: bad sampling box. +CG Processor: 0: bad sampling box. +CG Processor: 0: bad sampling box. +CG Processor: 0: bad sampling box. +CG Processor: 0: bad sampling box. +CG Processor: 0: bad sampling box. +CG Processor: 0: bad sampling box. +CG Processor: 0: bad sampling box. +CG Processor: 0: bad sampling box. +CG Processor: 0: bad sampling box. +CG Processor: 0: bad sampling box. +CG Processor: 0: bad sampling box. +CG Processor: 0: bad sampling box. +CG Processor: 0: bad sampling box. +CG Processor: 0: bad sampling box. +CG Processor: 0: bad sampling box. +CG Processor: 0: bad sampling box. +CG Processor: 0: bad sampling box. +CG Processor: 0: bad sampling box. +CG Processor: 0: bad sampling box. +CG Processor: 0: bad sampling box. +CG Processor: 0: bad sampling box. +CG Processor: 0: bad sampling box. +CG Processor: 0: bad sampling box. +CG Processor: 0: bad sampling box. +CG Processor: 0: bad sampling box. +CG Processor: 0: bad sampling box. +CG Processor: 0: bad sampling box. +CG Processor: 0: bad sampling box. +CG Processor: 0: bad sampling box. +CG Processor: 0: bad sampling box. +CG Processor: 0: bad sampling box. +CG Processor: 0: bad sampling box. +CG Processor: 0: bad sampling box. +CG Processor: 0: bad sampling box. +CG Processor: 0: bad sampling box. +CG Processor: 0: bad sampling box. +CG Processor: 0: bad sampling box. +CG Processor: 0: bad sampling box. +CG Processor: 0: bad sampling box. +CG Processor: 0: bad sampling box. +CG Processor: 0: bad sampling box. +CG Processor: 0: bad sampling box. +CG Processor: 0: bad sampling box. +CG Processor: 0: bad sampling box. +CG Processor: 0: bad sampling box. +CG Processor: 0: bad sampling box. +CG Processor: 0: bad sampling box. +CG Processor: 0: bad sampling box. +CG Processor: 0: bad sampling box. +CG Processor: 0: bad sampling box. +CG Processor: 0: bad sampling box. +CG Processor: 0: bad sampling box. +CG Processor: 0: bad sampling box. +CG Processor: 0: bad sampling box. +CG Processor: 0: bad sampling box. +CG Processor: 0: bad sampling box. +CG Processor: 0: bad sampling box. +CG Processor: 0: bad sampling box. +CG Processor: 0: bad sampling box. +CG Processor: 0: bad sampling box. +CG Processor: 0: bad sampling box. +CG Processor: 0: bad sampling box. +CG Processor: 0: bad sampling box. +CG Processor: 0: bad sampling box. +CG Processor: 0: bad sampling box. +CG Processor: 0: bad sampling box. +CG Processor: 0: bad sampling box. +CG Processor: 0: bad sampling box. +CG Processor: 0: bad sampling box. +CG Processor: 0: bad sampling box. +CG Processor: 0: bad sampling box. +CG Processor: 0: bad sampling box. + Failed to generate conformation # 135 itrial= 135 + +Geometry of the virtual chain. + Res d Theta Gamma Dsc Alpha Beta +D 1 0.000 0.000 0.000 0.000 0.000 0.000 +ASN 2 3.800 0.000 0.000 1.684 101.234 -92.121 +LEU 3 3.800 111.828 0.000 1.939 150.901 -95.801 +TYR 4 3.800 96.777 -50.768 2.484 121.755 -18.453 +ILE 5 3.800 134.984 73.652 1.776 163.140 164.654 +GLN 6 3.800 118.233 159.355 2.240 166.698 -2.951 +TRP 7 3.800 144.269 43.089 2.605 96.639 -108.643 +LEU 8 3.800 142.443 40.308 1.939 149.988 -114.546 +LYS 9 3.800 97.329 49.211 2.541 130.965 -33.644 +ASP 10 3.800 134.747 40.517 1.709 131.664 -130.032 +GLY 11 3.800 100.720 47.459 0.000 0.000 0.000 +GLY 12 3.800 128.765 49.667 0.000 0.000 0.000 +PRO 13 3.800 135.987 -77.325 1.345 125.123 -166.158 +SER 14 3.800 153.208 136.343 1.150 103.076 -70.070 +SER 15 3.800 114.451 -111.693 1.150 133.512 -99.560 +GLY 16 3.800 131.411 140.183 0.000 0.000 0.000 +ARG 17 3.800 110.818 75.885 3.020 111.994 -78.615 +PRO 18 3.800 122.074 176.690 1.345 99.979 -99.080 +PRO 19 3.800 101.335 28.674 1.345 163.562 25.726 +PRO 20 3.800 171.000 -142.120 1.345 118.157 -136.425 +SER 21 3.800 133.672 -149.414 1.150 136.340 -51.899 +D 22 3.800 97.328 14.373 0.000 0.000 0.000 + +Geometry of the virtual chain. + Res d Theta Gamma Dsc Alpha Beta +D 1 0.000 0.000 0.000 0.000 0.000 0.000 +ASN 2 3.800 0.000 0.000 1.684 110.100 -85.873 +LEU 3 3.800 157.043 0.000 1.939 148.298 -73.953 +TYR 4 3.800 114.506 108.745 2.484 130.566 -4.105 +ILE 5 3.800 122.751 -48.232 1.776 152.027 -85.897 +GLN 6 3.800 100.537 61.816 2.240 147.563 -128.053 +TRP 7 3.800 93.428 41.036 2.605 130.742 -112.726 +LEU 8 3.800 126.969 45.377 1.939 122.721 -27.858 +LYS 9 3.800 151.607 45.863 2.541 159.010 171.756 +ASP 10 3.800 116.874 49.086 1.709 161.586 -5.360 +GLY 11 3.800 113.767 40.954 0.000 0.000 0.000 +GLY 12 3.800 146.607 41.361 0.000 0.000 0.000 +PRO 13 3.800 121.395 107.553 1.345 133.085 -170.234 +SER 14 3.800 148.046 -71.215 1.150 143.350 -87.760 +SER 15 3.800 101.463 -126.505 1.150 165.175 4.806 +GLY 16 3.800 77.576 96.445 0.000 0.000 0.000 +ARG 17 3.800 126.836 -118.725 3.020 143.756 -33.592 +PRO 18 3.800 119.550 -124.342 1.345 130.331 -135.215 +PRO 19 3.800 116.735 28.667 1.345 119.262 -139.757 +PRO 20 3.800 135.903 56.183 1.345 108.039 -106.964 +SER 21 3.800 104.150 51.530 1.150 100.564 -70.772 +D 22 3.800 127.793 3.916 0.000 0.000 0.000 + +Geometry of the virtual chain. + Res d Theta Gamma Dsc Alpha Beta +D 1 0.000 0.000 0.000 0.000 0.000 0.000 +ASN 2 3.800 0.000 0.000 1.684 142.455 -141.367 +LEU 3 3.800 97.503 0.000 1.939 155.477 -4.290 +TYR 4 3.800 86.288 179.058 2.484 114.604 -67.202 +ILE 5 3.800 139.473 -52.104 1.776 133.614 -94.896 +GLN 6 3.800 108.183 4.296 2.240 159.920 5.272 +TRP 7 3.800 140.531 40.569 2.605 140.287 -167.276 +LEU 8 3.800 118.025 42.869 1.939 140.838 -127.760 +LYS 9 3.800 104.636 43.240 2.541 105.410 -105.083 +ASP 10 3.800 127.588 42.513 1.709 145.961 -121.672 +GLY 11 3.800 99.915 42.353 0.000 0.000 0.000 +GLY 12 3.800 80.211 45.786 0.000 0.000 0.000 +PRO 13 3.800 131.210 118.670 1.345 119.638 -132.110 +SER 14 3.800 129.250 -129.813 1.150 124.326 -68.908 +SER 15 3.800 135.273 -25.681 1.150 98.422 -51.634 +GLY 16 3.800 74.021 -81.127 0.000 0.000 0.000 +ARG 17 3.800 136.189 -86.045 3.020 157.315 93.488 +PRO 18 3.800 74.387 16.455 1.345 138.882 148.781 +PRO 19 3.800 162.815 83.284 1.345 125.449 -143.452 +PRO 20 3.800 133.548 -143.334 1.345 130.121 178.390 +SER 21 3.800 154.567 -112.453 1.150 98.268 -64.598 +D 22 3.800 140.991 145.079 0.000 0.000 0.000 + +Geometry of the virtual chain. + Res d Theta Gamma Dsc Alpha Beta +D 1 0.000 0.000 0.000 0.000 0.000 0.000 +ASN 2 3.800 0.000 0.000 1.684 163.459 -122.206 +LEU 3 3.800 92.610 0.000 1.939 105.368 -41.117 +TYR 4 3.800 130.005 144.684 2.484 115.010 -86.544 +ILE 5 3.800 126.492 -43.735 1.776 166.967 -112.695 +GLN 6 3.800 104.127 33.023 2.240 131.330 -84.939 +TRP 7 3.800 106.732 48.293 2.605 156.793 152.912 +LEU 8 3.800 123.596 49.434 1.939 119.385 -16.619 +LYS 9 3.800 139.117 42.853 2.541 141.934 -26.145 +ASP 10 3.800 111.551 43.050 1.709 119.213 -117.019 +GLY 11 3.800 97.699 41.232 0.000 0.000 0.000 +GLY 12 3.800 134.611 48.856 0.000 0.000 0.000 +PRO 13 3.800 112.173 -153.553 1.345 106.967 -95.106 +SER 14 3.800 89.041 -145.485 1.150 146.170 -78.586 +SER 15 3.800 122.794 -25.755 1.150 102.737 -69.918 +GLY 16 3.800 114.901 139.398 0.000 0.000 0.000 +ARG 17 3.800 125.161 -28.310 3.020 156.571 -107.881 +PRO 18 3.800 111.092 -102.616 1.345 120.257 -139.388 +PRO 19 3.800 133.274 55.780 1.345 91.730 -91.328 +PRO 20 3.800 93.203 -92.064 1.345 115.105 -114.779 +SER 21 3.800 117.450 -5.755 1.150 97.690 -69.620 +D 22 3.800 121.057 -6.482 0.000 0.000 0.000 + +Geometry of the virtual chain. + Res d Theta Gamma Dsc Alpha Beta +D 1 0.000 0.000 0.000 0.000 0.000 0.000 +ASN 2 3.800 0.000 0.000 1.684 164.804 18.437 +LEU 3 3.800 94.759 0.000 1.939 151.961 -41.780 +TYR 4 3.800 127.029 -165.770 2.484 144.555 174.279 +ILE 5 3.800 100.001 47.347 1.776 162.723 -139.315 +GLN 6 3.800 114.434 43.071 2.240 146.470 -77.362 +TRP 7 3.800 92.881 46.162 2.605 126.682 -16.685 +LEU 8 3.800 92.319 46.512 1.939 145.789 -102.612 +LYS 9 3.800 138.718 45.331 2.541 148.654 -171.897 +ASP 10 3.800 91.697 48.956 1.709 159.581 -23.193 +GLY 11 3.800 117.000 42.292 0.000 0.000 0.000 +GLY 12 3.800 127.109 46.837 0.000 0.000 0.000 +PRO 13 3.800 122.600 20.588 1.345 100.744 -146.174 +SER 14 3.800 100.006 -112.822 1.150 126.585 -96.939 +SER 15 3.800 139.544 154.580 1.150 135.946 -142.609 +GLY 16 3.800 137.648 -106.584 0.000 0.000 0.000 +ARG 17 3.800 129.993 -63.543 3.020 152.222 -173.629 +PRO 18 3.800 145.450 94.749 1.345 94.915 -124.685 +PRO 19 3.800 96.403 136.517 1.345 111.456 -115.563 +PRO 20 3.800 102.188 169.647 1.345 111.718 -121.571 +SER 21 3.800 120.875 -58.307 1.150 157.872 -70.951 +D 22 3.800 127.428 143.572 0.000 0.000 0.000 + +Geometry of the virtual chain. + Res d Theta Gamma Dsc Alpha Beta +D 1 0.000 0.000 0.000 0.000 0.000 0.000 +ASN 2 3.800 0.000 0.000 1.684 141.097 -135.391 +LEU 3 3.800 66.978 0.000 1.939 138.325 -58.796 +TYR 4 3.800 130.649 -159.106 2.484 142.475 -115.223 +ILE 5 3.800 138.220 -60.808 1.776 178.116 166.838 +GLN 6 3.800 127.230 -71.399 2.240 143.952 -62.913 +TRP 7 3.800 120.845 44.615 2.605 149.309 -111.990 +LEU 8 3.800 137.002 41.053 1.939 129.912 -67.770 +LYS 9 3.800 121.783 46.618 2.541 141.910 -44.438 +ASP 10 3.800 139.449 46.273 1.709 117.998 -77.353 +GLY 11 3.800 152.404 43.334 0.000 0.000 0.000 +GLY 12 3.800 108.381 45.442 0.000 0.000 0.000 +PRO 13 3.800 139.417 -96.378 1.345 135.795 167.877 +SER 14 3.800 155.876 -62.526 1.150 130.488 -49.410 +SER 15 3.800 135.056 128.846 1.150 170.252 -83.501 +GLY 16 3.800 96.508 -176.408 0.000 0.000 0.000 +ARG 17 3.800 120.050 -18.521 3.020 139.757 -135.010 +PRO 18 3.800 107.378 115.572 1.345 99.038 -86.325 +PRO 19 3.800 91.947 -148.578 1.345 99.935 -117.277 +PRO 20 3.800 102.575 -133.961 1.345 128.146 -168.152 +SER 21 3.800 148.629 94.870 1.150 138.710 -39.251 +D 22 3.800 93.605 -79.045 0.000 0.000 0.000 + +Geometry of the virtual chain. + Res d Theta Gamma Dsc Alpha Beta +D 1 0.000 0.000 0.000 0.000 0.000 0.000 +ASN 2 3.800 0.000 0.000 1.684 111.931 -84.394 +LEU 3 3.800 116.058 0.000 1.939 158.295 -18.711 +TYR 4 3.800 66.386 -60.459 2.484 136.584 -14.517 +ILE 5 3.800 123.635 126.024 1.776 158.016 -64.380 +GLN 6 3.800 125.640 -174.507 2.240 147.817 -42.165 +TRP 7 3.800 93.565 47.877 2.605 125.588 -23.296 +LEU 8 3.800 93.646 47.853 1.939 159.445 -117.958 +LYS 9 3.800 103.403 49.643 2.541 155.292 -65.577 +ASP 10 3.800 72.480 40.610 1.709 109.711 -86.922 +GLY 11 3.800 116.014 40.442 0.000 0.000 0.000 +GLY 12 3.800 106.262 46.171 0.000 0.000 0.000 +PRO 13 3.800 100.565 -166.391 1.345 89.448 -112.326 +SER 14 3.800 101.433 148.914 1.150 132.408 -122.762 +SER 15 3.800 131.909 -111.932 1.150 102.541 -59.535 +GLY 16 3.800 142.045 18.397 0.000 0.000 0.000 +ARG 17 3.800 127.551 123.989 3.020 145.031 -70.822 +PRO 18 3.800 137.278 3.398 1.345 116.467 -123.489 +PRO 19 3.800 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3.800 139.002 -82.798 1.345 126.707 -135.827 +SER 21 3.800 128.614 27.375 1.150 143.044 -104.015 +D 22 3.800 82.069 57.228 0.000 0.000 0.000 + +Geometry of the virtual chain. + Res d Theta Gamma Dsc Alpha Beta +D 1 0.000 0.000 0.000 0.000 0.000 0.000 +ASN 2 3.800 0.000 0.000 1.684 149.804 -57.678 +LEU 3 3.800 123.308 0.000 1.939 138.493 -66.422 +TYR 4 3.800 136.226 177.523 2.484 136.116 -141.635 +ILE 5 3.800 130.927 -49.784 1.776 172.132 -176.190 +GLN 6 3.800 124.051 -73.090 2.240 159.780 -122.676 +TRP 7 3.800 138.471 42.988 2.605 145.618 -2.556 +LEU 8 3.800 112.441 47.012 1.939 148.324 -112.313 +LYS 9 3.800 139.927 45.221 2.541 142.612 108.750 +ASP 10 3.800 120.111 46.482 1.709 138.960 -106.077 +GLY 11 3.800 103.203 40.256 0.000 0.000 0.000 +GLY 12 3.800 93.208 43.240 0.000 0.000 0.000 +PRO 13 3.800 144.672 -170.579 1.345 157.081 47.979 +SER 14 3.800 171.000 -7.478 1.150 101.891 -63.513 +SER 15 3.800 86.644 -158.630 1.150 108.984 -66.042 +GLY 16 3.800 94.163 58.628 0.000 0.000 0.000 +ARG 17 3.800 129.786 39.084 3.020 116.427 -110.852 +PRO 18 3.800 126.375 4.626 1.345 123.134 -134.899 +PRO 19 3.800 119.294 -157.227 1.345 119.598 -127.176 +PRO 20 3.800 117.264 168.657 1.345 115.625 -126.861 +SER 21 3.800 131.057 122.005 1.150 128.477 -149.196 +D 22 3.800 98.543 -130.189 0.000 0.000 0.000 + +Geometry of the virtual chain. + Res d Theta Gamma Dsc Alpha Beta +D 1 0.000 0.000 0.000 0.000 0.000 0.000 +ASN 2 3.800 0.000 0.000 1.684 146.061 -67.206 +LEU 3 3.800 133.994 0.000 1.939 175.350 -96.590 +TYR 4 3.800 108.512 -111.743 2.484 148.121 -7.399 +ILE 5 3.800 125.230 -163.865 1.776 145.434 -79.481 +GLN 6 3.800 166.555 -25.278 2.240 166.364 -69.412 +TRP 7 3.800 110.364 42.342 2.605 161.106 173.940 +LEU 8 3.800 127.253 44.841 1.939 127.598 -88.964 +LYS 9 3.800 150.636 47.075 2.541 144.754 -73.565 +ASP 10 3.800 150.575 44.523 1.709 120.457 -90.193 +GLY 11 3.800 95.291 46.711 0.000 0.000 0.000 +GLY 12 3.800 140.149 48.516 0.000 0.000 0.000 +PRO 13 3.800 129.313 -66.310 1.345 123.032 -141.092 +SER 14 3.800 131.930 161.388 1.150 137.164 -66.270 +SER 15 3.800 113.445 -77.119 1.150 138.159 -140.126 +GLY 16 3.800 117.134 116.227 0.000 0.000 0.000 +ARG 17 3.800 124.322 28.409 3.020 134.999 -30.713 +PRO 18 3.800 119.882 76.991 1.345 120.887 -122.072 +PRO 19 3.800 109.113 24.802 1.345 125.176 -153.705 +PRO 20 3.800 143.988 98.831 1.345 85.995 -121.353 +SER 21 3.800 103.071 -76.440 1.150 103.429 -69.014 +D 22 3.800 69.092 -154.642 0.000 0.000 0.000 + +Geometry of the virtual chain. + Res d Theta Gamma Dsc Alpha Beta +D 1 0.000 0.000 0.000 0.000 0.000 0.000 +ASN 2 3.800 0.000 0.000 1.684 163.800 -99.262 +LEU 3 3.800 95.059 0.000 1.939 164.778 -133.685 +TYR 4 3.800 92.854 63.576 2.484 133.672 -4.000 +ILE 5 3.800 106.191 52.824 1.776 158.282 -97.103 +GLN 6 3.800 115.328 -141.777 2.240 156.974 -89.794 +TRP 7 3.800 135.602 46.168 2.605 140.316 -170.496 +LEU 8 3.800 122.894 41.207 1.939 159.856 -28.391 +LYS 9 3.800 119.912 48.636 2.541 113.929 -80.012 +ASP 10 3.800 118.153 44.131 1.709 127.764 -87.842 +GLY 11 3.800 97.871 42.752 0.000 0.000 0.000 +GLY 12 3.800 153.619 46.253 0.000 0.000 0.000 +PRO 13 3.800 136.299 -46.445 1.345 124.967 -179.112 +SER 14 3.800 156.148 -4.190 1.150 136.690 -3.071 +SER 15 3.800 113.181 -33.316 1.150 161.303 -90.887 +GLY 16 3.800 88.706 124.158 0.000 0.000 0.000 +ARG 17 3.800 119.506 -64.410 3.020 138.223 56.296 +PRO 18 3.800 145.155 -168.353 1.345 90.704 -109.908 +PRO 19 3.800 89.201 -12.418 1.345 113.503 -107.481 +PRO 20 3.800 86.840 -19.330 1.345 94.249 -111.550 +SER 21 3.800 92.507 108.980 1.150 95.873 -48.221 +D 22 3.800 157.568 80.669 0.000 0.000 0.000 + +Geometry of the virtual chain. + Res d Theta Gamma Dsc Alpha Beta +D 1 0.000 0.000 0.000 0.000 0.000 0.000 +ASN 2 3.800 0.000 0.000 1.684 111.861 -82.826 +LEU 3 3.800 137.366 0.000 1.939 145.651 -107.685 +TYR 4 3.800 114.048 -125.433 2.484 137.185 -5.980 +ILE 5 3.800 124.569 100.091 1.776 173.492 -141.306 +GLN 6 3.800 126.001 -132.301 2.240 137.017 -19.801 +TRP 7 3.800 158.387 47.918 2.605 95.851 -41.727 +LEU 8 3.800 147.955 46.863 1.939 163.902 -12.407 +LYS 9 3.800 96.438 43.899 2.541 159.240 -80.581 +ASP 10 3.800 112.953 45.446 1.709 117.694 -84.821 +GLY 11 3.800 89.208 41.883 0.000 0.000 0.000 +GLY 12 3.800 143.316 46.683 0.000 0.000 0.000 +PRO 13 3.800 94.574 -121.673 1.345 127.453 -137.404 +SER 14 3.800 133.682 -7.900 1.150 119.708 -36.907 +SER 15 3.800 116.661 -62.328 1.150 156.769 -107.087 +GLY 16 3.800 118.820 -49.427 0.000 0.000 0.000 +ARG 17 3.800 119.797 -27.686 3.020 143.451 -159.715 +PRO 18 3.800 143.727 37.050 1.345 119.847 -119.685 +PRO 19 3.800 110.085 45.835 1.345 121.865 -128.395 +PRO 20 3.800 122.985 10.783 1.345 87.953 -99.968 +SER 21 3.800 75.607 81.825 1.150 86.501 -52.225 +D 22 3.800 144.237 51.453 0.000 0.000 0.000 + +Geometry of the virtual chain. + Res d Theta Gamma Dsc Alpha Beta +D 1 0.000 0.000 0.000 0.000 0.000 0.000 +ASN 2 3.800 0.000 0.000 1.684 149.587 14.542 +LEU 3 3.800 91.917 0.000 1.939 153.563 -17.390 +TYR 4 3.800 83.409 -132.926 2.484 106.959 -75.250 +ILE 5 3.800 138.429 146.865 1.776 171.919 -155.602 +GLN 6 3.800 127.372 77.108 2.240 153.531 -110.487 +TRP 7 3.800 95.166 49.499 2.605 160.090 -167.750 +LEU 8 3.800 125.370 48.247 1.939 134.970 -69.779 +LYS 9 3.800 141.380 46.616 2.541 165.101 144.210 +ASP 10 3.800 115.758 44.588 1.709 138.480 -84.901 +GLY 11 3.800 109.302 47.203 0.000 0.000 0.000 +GLY 12 3.800 123.376 47.610 0.000 0.000 0.000 +PRO 13 3.800 154.227 -52.682 1.345 118.348 -118.841 +SER 14 3.800 104.517 23.289 1.150 130.765 -112.103 +SER 15 3.800 141.015 92.561 1.150 161.407 -63.725 +GLY 16 3.800 109.077 99.814 0.000 0.000 0.000 +ARG 17 3.800 113.432 20.047 3.020 122.762 -48.994 +PRO 18 3.800 144.057 48.534 1.345 120.098 -144.854 +PRO 19 3.800 145.405 118.451 1.345 118.710 -119.428 +PRO 20 3.800 114.681 4.770 1.345 119.567 -120.603 +SER 21 3.800 102.513 139.423 1.150 110.114 -70.280 +D 22 3.800 92.792 -43.894 0.000 0.000 0.000 + 200 conformations have been generated randomly. + Exitted from make_ranvar nconfr= 200 + Initial conformation 1 + 103.3369 104.3102 128.9945 112.1191 91.5545 119.6121 94.0909 146.9799 + 171.0000 111.6357 117.1096 79.4508 91.8995 124.0214 126.0251 128.8090 + 135.9104 100.4532 125.5237 133.8994 + 100.7179 -150.6321 48.7404 45.8255 48.1358 43.0305 40.0638 42.4217 + 44.9818 5.6133 11.9620 -145.7719 113.6871 -31.4164 26.4389 -163.5594 + 4.7326 137.3750 69.9430 0.0000 + 117.4334 149.0621 89.7900 166.3062 166.2353 140.8034 156.3040 147.3678 + 89.3968 0.0000 0.0000 101.5367 155.6873 170.2421 0.0000 130.8650 + 116.6257 114.5692 112.3138 148.0140 + -123.2817 -30.3261 -93.9726 -124.3585 155.9109 -160.1154 -19.3657 164.1611 + -84.4451 0.0000 0.0000 -99.0897 -71.0954 -158.8741 0.0000 -96.2114 + -132.0860 -124.6067 -123.2317 -88.6336 + Initial conformation 2 + 119.7193 94.2408 137.1448 160.9174 153.9707 139.4572 98.1140 111.4381 + 110.2163 109.1728 101.7068 118.4844 103.1675 133.7874 119.7711 92.3368 + 131.6777 83.5839 126.7687 126.3441 + -169.6050 -43.9813 -24.8214 40.8487 40.4495 40.0592 46.4570 43.9839 + 44.2320 -61.4528 137.7965 17.9903 -67.6534 168.5955 -132.9158 95.4496 + -34.2127 164.0288 -96.4218 0.0000 + 134.9913 141.0494 145.3287 137.2930 156.9047 151.6970 144.1815 146.0791 + 136.3730 0.0000 0.0000 112.0765 139.7605 137.4971 0.0000 143.7584 + 122.1726 89.5395 122.3333 96.9392 + -116.1689 -51.7517 -143.6570 -63.8857 160.9708 -179.4544 -96.1007 -102.5546 + -97.4988 0.0000 0.0000 -122.4656 -47.3397 -57.9915 0.0000 -92.0152 + -135.1791 -108.6880 -135.2217 -57.4298 + Initial conformation 3 + 90.6332 98.5318 122.8126 130.9999 64.2699 104.6110 117.0066 127.2430 + 151.8206 101.1463 118.8438 126.0697 121.1247 111.5845 153.3476 123.5115 + 96.4828 97.9745 146.8635 120.6961 + 48.1765 114.7668 -65.0861 46.2299 48.7391 44.5572 45.8864 48.4025 + 48.6980 100.2400 -141.9237 62.3337 16.5240 101.4930 -150.8469 29.5533 + 65.7136 10.3859 98.2239 0.0000 + 142.5432 140.3891 141.4991 170.1520 135.5274 136.3217 143.9530 178.3721 + 88.3720 0.0000 0.0000 123.5193 86.2763 105.2882 0.0000 145.3564 + 92.0872 96.7794 132.8795 152.0115 + -52.2308 -109.9368 -145.2119 -95.5940 -27.9487 0.1859 -143.1919 -85.2337 + -72.2584 0.0000 0.0000 -137.2044 -52.9849 -66.1915 0.0000 -111.3799 + -129.2449 -107.1073 -169.5553 -46.5355 + Initial conformation 4 + 100.8370 103.7323 99.8296 130.5565 114.8387 118.2023 87.7741 153.8691 + 108.8661 99.1863 117.2582 154.9830 101.8359 110.4134 133.4842 135.7042 + 157.6074 96.9337 61.3896 164.1000 + -142.9251 8.8888 102.1016 40.3302 47.5128 49.6929 41.6307 45.9415 + 49.9007 172.8361 -85.9005 -108.7247 55.0279 107.3909 -27.9780 -124.1249 + 94.2413 153.4414 175.5568 0.0000 + 148.5192 154.6805 145.0925 170.2241 143.8570 156.0638 169.1997 126.9044 + 147.7599 0.0000 0.0000 124.4940 146.6698 159.3479 0.0000 117.5895 + 136.6756 100.0097 115.6981 85.8726 + -147.4221 -80.1982 -24.0695 -168.2906 104.6027 -177.4392 -131.0780 62.0703 + -5.0700 0.0000 0.0000 -179.0208 -64.9043 -122.1787 0.0000 -83.7035 + 162.5338 -111.1376 -88.6868 -41.1470 + Initial conformation 5 + 120.0824 114.5962 117.2955 100.2541 93.2540 116.4988 92.5875 126.5557 + 93.7101 132.7733 127.3994 91.1036 104.8577 98.5076 135.6391 118.4919 + 84.5827 125.3243 140.0222 126.5254 + 154.5451 132.5161 162.7110 42.7982 48.3306 47.6052 44.3144 49.5189 + 47.4428 -24.1073 177.7823 90.7471 -96.4830 66.7876 55.1627 -107.7507 + -164.7893 -13.7004 158.9546 0.0000 + 142.6187 147.0307 108.9924 149.5634 143.3030 145.0744 155.4331 128.1179 + 127.9556 0.0000 0.0000 97.0744 106.2120 103.1446 0.0000 141.1999 + 99.8225 117.4876 130.8883 128.1102 + -52.8548 -114.6795 -99.5934 -68.5673 -130.6647 -17.9796 -0.9880 -25.5064 + -87.2029 0.0000 0.0000 -114.5242 -70.2015 -66.9294 0.0000 81.3006 + -128.0955 -132.6175 -158.6397 -67.0076 + Initial conformation 6 + 118.7422 97.4055 92.2573 115.2085 127.9383 84.1142 104.2076 76.9921 + 164.1308 108.6060 142.7289 110.8415 94.0437 98.6420 128.7787 113.7838 + 142.4308 113.7644 97.4063 126.4396 + -18.4457 14.7015 162.8771 47.7731 44.2647 47.4807 47.4260 47.0266 + 45.3100 -109.8012 -52.2415 -44.9281 -21.4335 153.6229 -23.1151 -101.0679 + -10.8294 -110.7502 40.5713 0.0000 + 124.8553 147.9723 122.0721 162.1448 135.5939 160.2270 154.4775 158.5692 + 86.6201 0.0000 0.0000 125.7048 92.9198 141.1660 0.0000 136.6560 + 119.1218 120.7352 92.8276 83.2409 + -83.8478 -166.0535 -129.0193 -72.6775 168.9387 12.9439 -34.3165 162.5174 + -60.6585 0.0000 0.0000 -123.3799 -63.9218 -3.6862 0.0000 15.5623 + -147.6044 -115.6995 -103.6089 -65.7641 + Initial conformation 7 + 121.0303 108.1377 130.2803 139.4680 133.0036 122.1292 93.2345 120.3933 + 135.8349 99.2032 102.7600 72.8550 100.2335 146.4299 116.4451 76.0149 + 137.8090 140.4912 140.3400 90.3708 + 55.6106 -166.2557 64.4395 49.7104 47.7614 46.2679 43.9129 46.3603 + 46.8445 -113.5534 -27.4714 133.1079 -100.7499 -90.3167 164.7118 -11.5713 + -155.2077 -147.8200 141.0667 0.0000 + 165.2929 147.4927 137.6300 161.3418 165.4862 131.9985 165.4330 148.9593 + 153.9290 0.0000 0.0000 99.8512 103.6693 83.7965 0.0000 148.8390 + 125.1812 120.0105 132.7609 153.2872 + -116.8768 -33.8132 -3.7207 -117.6377 -158.3349 3.6948 -149.1213 -149.6274 + -6.6368 0.0000 0.0000 -105.5409 -65.7930 -66.1841 0.0000 -130.3494 + -148.7996 -145.3546 -165.0474 -82.1596 + Initial conformation 8 + 87.0564 139.4327 93.7820 130.4240 117.9253 95.7789 95.6248 102.5908 + 109.1616 119.4202 141.9195 134.9125 116.1088 142.8953 115.6055 98.2604 + 120.4307 166.9606 149.5413 169.2403 + -134.1498 -89.3922 -46.2840 45.6617 42.9131 46.8522 48.9744 46.9188 + 43.7715 177.8586 -84.9363 10.4977 -107.9078 -97.8652 153.4190 -125.0396 + 177.1380 -28.0551 -126.7169 0.0000 + 145.7092 154.3912 139.1588 171.1520 160.2181 135.8226 149.1037 130.6450 + 133.8050 0.0000 0.0000 121.9773 97.7256 97.3921 0.0000 153.1976 + 123.8668 153.5910 131.6271 52.0423 + -172.3779 -92.0745 -20.2010 -152.3439 -129.5985 -24.1597 -122.5954 -15.4322 + -86.5323 0.0000 0.0000 -138.6763 -67.8547 -57.4240 0.0000 70.2837 + -129.5264 92.0437 -172.1672 -44.6367 + Initial conformation 9 + 95.5419 121.8444 101.9434 127.1404 94.8588 125.9603 116.1095 135.6111 + 78.7375 93.0301 160.8178 126.1102 95.2848 93.5822 143.2526 136.1005 + 115.3589 146.4392 121.8305 95.8546 + -145.9149 152.3399 103.8036 43.7873 48.6967 47.4997 47.1019 42.1491 + 49.0974 66.2052 110.4523 54.0326 -155.3575 -80.8863 6.1602 142.7172 + 131.6290 -120.4586 19.2088 0.0000 + 148.8734 135.8572 107.3191 139.5341 153.6462 154.6591 148.4464 144.1526 + 144.0887 0.0000 0.0000 112.9514 135.5194 160.7373 0.0000 122.0091 + 120.5481 130.8687 130.4115 144.0474 + -123.9315 -45.6671 -112.1342 -57.4108 -118.2425 -174.0251 -29.4661 -46.4983 + -143.2139 0.0000 0.0000 -120.6515 -103.9720 -93.9727 0.0000 -79.6924 + -123.4801 -162.8498 -139.6444 -36.3820 + Initial conformation 10 + 130.9466 105.8870 127.0023 149.3846 126.8518 118.4760 162.2028 120.2969 + 145.5646 144.6779 66.7529 125.1548 112.1544 97.9844 112.6490 132.6917 + 140.9728 151.3447 161.4970 98.7941 + -147.1952 -77.6281 -169.0607 42.7197 46.4260 41.0220 45.7089 44.1924 + 47.9144 143.6662 -55.3933 22.9432 129.9867 -72.9002 160.6691 -175.3214 + -143.6860 156.2519 6.4732 0.0000 + 141.5107 147.8631 131.2523 138.9706 149.0333 155.4149 99.5110 171.9730 + 109.0347 0.0000 0.0000 128.8012 98.8880 108.9703 0.0000 128.1112 + 122.5380 127.3610 142.6197 144.5094 + -61.1397 -119.8359 -152.5933 -71.2410 -107.1044 -174.3699 -0.7959 -140.1091 + -74.7090 0.0000 0.0000 -141.3789 -71.1831 -70.8431 0.0000 -83.6525 + -154.9228 -170.2121 144.4301 -50.3392 + Initial conformation 11 + 114.6919 160.2038 123.2198 128.6889 141.3509 85.4036 106.0435 98.2471 + 143.4088 133.0726 101.1125 122.9322 85.5514 167.5216 134.3900 133.2517 + 133.4850 151.9074 113.8790 116.6676 + -102.6613 167.2297 -119.6460 45.7351 48.5269 49.0027 43.7003 44.2003 + 45.3560 -101.4188 -17.5974 -47.2258 31.7892 4.0942 134.0741 18.3013 + 6.7499 -41.3250 145.6668 0.0000 + 122.8983 117.2462 128.4636 135.5396 145.3385 132.7408 141.3477 174.8560 + 129.6586 0.0000 0.0000 117.3193 104.3506 67.2478 0.0000 138.3695 + 127.0876 131.5191 119.3916 143.3324 + -84.5650 -6.5600 -29.3081 -99.6909 -41.5764 -1.2441 -64.8245 87.6516 + -50.8619 0.0000 0.0000 -132.2065 -74.3849 -46.8956 0.0000 116.3792 + -146.4921 -167.5557 -123.8916 -69.0304 + Initial conformation 12 + 114.2666 88.0965 102.9051 141.9081 134.2758 133.9299 121.1531 59.4444 + 97.9973 153.7330 59.5482 97.9280 92.9447 91.8805 107.4833 116.7334 + 121.2660 120.0095 132.8122 171.0000 + 138.8572 -63.0732 50.5557 48.5052 41.0358 47.0949 43.9390 45.2868 + 47.9487 104.4204 -93.0311 142.6820 173.1578 -0.8565 -52.8634 -141.4094 + 38.3412 -48.9176 129.3536 0.0000 + 139.3176 168.6359 150.8310 146.9336 156.7961 115.2703 134.6255 164.5949 + 141.1634 0.0000 0.0000 92.3022 154.4561 112.5682 0.0000 142.8487 + 124.0770 114.8665 126.0337 35.9356 + -75.0474 -0.0790 -18.2375 -77.8381 -86.5966 -34.2516 -78.2693 -28.5468 + -111.2942 0.0000 0.0000 -112.8754 -33.6043 -65.8035 0.0000 173.6289 + -132.4464 -114.7746 -144.0091 -24.1085 + Initial conformation 13 + 136.6833 114.9903 136.2107 104.4472 102.5907 116.2844 94.9967 114.0677 + 69.8328 144.0464 97.6338 111.3840 147.7600 100.9516 125.4928 111.7176 + 105.8094 125.0501 92.9273 124.2669 + -130.3272 -86.7065 123.1903 41.5909 47.4236 44.7317 47.5186 45.6270 + 43.9699 -18.4686 68.3237 -117.2407 160.0380 -157.7965 -164.4402 -130.6370 + -92.1756 147.3176 76.5480 0.0000 + 125.4275 145.9591 137.9613 128.6764 153.0406 114.2807 155.4990 153.7351 + 153.3901 0.0000 0.0000 123.9669 93.9668 153.3316 0.0000 162.1650 + 114.4531 113.4391 90.3396 135.6860 + -80.3403 -113.1195 -161.0851 -73.7661 -35.7124 -95.8082 -103.9222 -18.7433 + -92.3367 0.0000 0.0000 -126.1176 -50.7261 -83.9777 0.0000 123.7058 + -121.6830 -113.8316 -126.4693 -112.8624 + Initial conformation 14 + 123.2829 115.8980 129.4788 98.3984 138.7250 89.7511 95.2143 121.2533 + 86.1311 138.7126 89.9340 100.5221 89.5576 111.0172 115.6865 89.7677 + 91.7884 115.5590 131.8272 106.6840 + 29.6131 26.4472 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124.4144 136.3159 107.0468 0.0000 126.8763 + 128.2110 114.9810 125.6429 115.8480 + -80.2183 -78.5232 5.4812 -127.0539 135.6126 -84.7448 -20.8074 -130.9373 + -71.3634 0.0000 0.0000 -126.4457 -67.0246 -57.2729 0.0000 -104.3472 + -129.5364 -114.1614 -150.8631 -62.3418 + Initial conformation 24 + 117.9297 109.7945 114.2431 149.9782 101.8746 114.2027 101.5728 138.1478 + 89.1188 132.0548 132.6147 138.9716 120.7613 108.5392 148.9967 110.2967 + 129.3347 146.5327 87.2105 136.4481 + 36.7093 93.7047 166.4133 46.0751 48.3959 44.5900 43.9119 48.9314 + 41.5560 13.7441 -62.3480 177.5845 -76.9027 4.2291 150.5808 -42.2300 + 20.7441 -140.6253 7.4482 0.0000 + 135.9786 143.6683 141.1884 136.7304 129.9109 140.5233 145.0379 165.1032 + 116.5703 0.0000 0.0000 134.6479 99.5769 156.9595 0.0000 152.9331 + 121.2861 124.3367 90.0867 102.9219 + -43.3158 -76.3579 -16.5810 -82.9087 -109.3287 -179.9453 -86.9466 142.4365 + -83.8858 0.0000 0.0000 -156.4638 -62.4146 -33.9170 0.0000 73.7953 + -133.5190 -157.8938 -115.3682 -79.6206 + Initial conformation 25 + 111.7769 132.0142 105.3921 139.4844 127.6421 102.6220 125.1877 93.1410 + 110.4986 126.5102 126.5089 108.7469 125.8092 129.7555 119.5345 92.9677 + 80.7676 92.5737 139.6434 138.0012 + 105.3193 100.3066 -97.1623 41.6919 43.8431 49.8256 47.2931 42.0785 + 49.4104 -157.9762 -119.0090 -89.3873 -25.0645 60.8705 -65.0009 103.4092 + -42.9782 53.4335 165.5570 0.0000 + 135.1906 144.0108 134.0076 136.6460 146.2730 135.9737 153.8944 140.1230 + 145.2678 0.0000 0.0000 120.4541 90.4360 93.8481 0.0000 161.9830 + 103.2947 105.5212 115.9467 137.5816 + -122.9859 -51.3346 -154.3080 -79.8479 -116.9826 -146.8164 -139.0576 -123.1473 + -105.5391 0.0000 0.0000 -123.1970 -69.3795 -57.8782 0.0000 135.4451 + -106.9257 -126.9839 -136.9517 -58.9603 + Initial conformation 26 + 112.1384 86.5245 68.9398 118.2503 113.1501 121.3957 104.3957 110.7410 + 96.7466 145.8128 127.5365 111.7966 97.2089 119.0235 139.7308 118.8722 + 130.2127 138.2222 147.0359 124.2339 + 77.5648 -95.1822 -155.4852 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156.2461 144.2504 0.0000 106.0558 + 118.6791 120.2926 90.3705 143.2942 + -16.6873 -101.6083 -86.8206 -107.2897 -21.5210 -92.1886 -83.3251 -96.7432 + -136.6578 0.0000 0.0000 -140.3836 -107.1978 -85.0946 0.0000 -171.8248 + -114.3405 -125.5735 -85.1876 -67.7519 + Initial conformation 28 + 117.9525 158.3551 112.2715 79.2280 156.5299 114.1573 85.1487 89.9173 + 88.4371 129.7496 142.3518 98.1614 117.7463 96.1492 103.0344 120.0826 + 128.3685 118.0165 104.5671 135.0392 + 179.6111 171.4503 -80.2518 43.9455 41.7692 44.6696 44.0770 44.9635 + 45.9577 143.4251 153.9925 15.6755 35.4672 52.7562 29.6500 177.9100 + 0.0408 103.4917 -33.7784 0.0000 + 137.2660 115.0507 156.4861 140.9403 150.6028 138.6232 159.3147 150.5323 + 139.1582 0.0000 0.0000 121.4224 99.3076 161.0212 0.0000 145.3520 + 114.0677 120.2394 99.3398 104.7419 + -118.0849 -49.3066 -157.3468 -71.0516 68.9429 -3.2217 176.7414 -110.6573 + -90.0497 0.0000 0.0000 -114.9704 -61.0120 -42.5935 0.0000 -178.6230 + -124.5888 -126.9515 -99.3064 -56.5443 + Initial conformation 29 + 95.6538 84.3130 101.1354 145.8819 103.9226 120.1107 114.5719 122.4549 + 152.8564 139.0716 134.6767 167.5539 129.7022 122.7386 158.3235 108.1806 + 117.3231 118.2630 97.4010 122.3805 + 95.4683 -93.1100 -129.4647 47.4631 44.6754 45.2111 49.2476 46.1664 + 40.3581 100.0656 -152.8133 -146.9643 24.9177 83.7330 40.2655 -9.7508 + 109.3054 131.5102 -136.5989 0.0000 + 107.5707 162.2059 132.8194 138.7564 134.9655 131.5494 153.1265 128.1840 + 92.1569 0.0000 0.0000 165.9017 106.2017 141.6126 0.0000 153.2138 + 131.5586 128.4189 103.8868 125.8445 + -92.5645 -165.7696 -18.1061 -79.4994 -94.6031 173.0363 -71.3698 -81.3184 + -89.4412 0.0000 0.0000 73.6455 -52.3305 -18.5618 0.0000 34.0943 + -136.8685 -134.9406 -110.9159 -80.9850 + Initial conformation 30 + 116.5494 96.6791 118.5183 107.7049 92.0127 117.9560 95.9407 93.0982 + 99.3657 130.2701 109.4290 78.4606 112.1269 89.2513 107.8801 126.6481 + 125.8025 130.6048 96.4349 155.1732 + -78.8589 57.8932 -101.8467 46.0716 43.4951 47.5072 42.6311 41.9550 + 41.6549 -78.2542 179.2955 136.5057 91.1166 23.6201 -52.3650 -107.4489 + -13.7231 -158.6406 -38.0630 0.0000 + 127.0071 139.2250 144.6947 152.4791 144.6785 137.0181 142.5328 143.5007 + 109.0182 0.0000 0.0000 96.2558 128.6053 102.3983 0.0000 130.7893 + 132.7734 121.9951 93.7705 93.6207 + -93.6909 -152.2589 164.5932 -128.2074 -133.0788 -163.0603 -85.8771 155.0930 + -86.0425 0.0000 0.0000 -105.8673 -100.8935 -67.9855 0.0000 -128.4708 + -146.1096 -139.2903 -120.4480 -59.9980 + Initial conformation 31 + 107.2675 113.8239 120.7197 127.1536 91.5036 115.3500 154.7659 113.8914 + 125.7670 128.7685 96.0951 79.5445 103.8467 115.8097 99.3187 134.1813 + 145.0471 136.1232 121.3890 90.7175 + 136.9327 -13.0802 -118.5215 43.4304 48.1420 46.4447 49.7722 42.7712 + 41.6117 -131.2109 0.9108 -133.6527 -83.1460 -120.4988 -96.3096 -122.4171 + 175.6450 -80.4735 105.5577 0.0000 + 175.0819 143.9770 146.8146 163.5773 138.6630 104.8389 106.2679 154.6555 + 169.0144 0.0000 0.0000 91.2184 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Initial conformation 33 + 103.4403 150.9689 115.4052 136.6284 116.1371 104.8826 127.0078 104.6379 + 63.6991 134.6882 145.0967 123.0146 101.5060 92.8982 145.3552 108.5171 + 138.0776 129.0315 110.2122 101.0542 + 24.0525 54.5517 150.1740 41.4315 45.7310 47.5927 41.9589 46.8135 + 41.2404 26.3316 -40.1983 90.0794 -82.1730 -142.4460 -93.3380 -156.6366 + 33.3255 -44.6970 45.0699 0.0000 + 164.8271 126.3290 139.3592 166.7179 141.8505 135.9568 134.5034 141.6761 + 151.3486 0.0000 0.0000 118.9905 151.1172 102.2172 0.0000 140.6190 + 118.4917 120.9233 121.1248 150.4730 + -30.8433 -95.2337 -17.4702 -106.5690 -81.8710 -15.4171 -107.9010 -130.0892 + -142.6824 0.0000 0.0000 -133.7442 -96.4517 -53.0620 0.0000 -156.3760 + -143.6186 -137.1492 -131.5082 -72.3219 + Initial conformation 34 + 122.4487 86.8595 110.6660 119.2565 139.1439 125.7892 117.6101 112.1071 + 94.5539 116.9514 126.9141 133.0370 126.3433 94.4592 144.1126 130.0551 + 110.2435 99.7422 108.6561 148.0610 + 151.5968 175.6309 73.9774 45.0980 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Initial conformation 37 + 128.6891 115.1521 130.3125 130.2553 126.7757 124.4761 130.8766 104.5992 + 95.1351 135.5694 131.3397 96.6190 108.0049 98.9064 148.5155 145.9424 + 156.3758 86.2778 98.7075 114.2340 + -63.1414 -113.0964 -140.8822 47.7624 41.0097 46.8345 49.1253 41.7503 + 45.2208 107.9222 -128.7936 -170.1304 171.5565 -131.2684 -150.7866 153.1652 + -47.1358 148.4943 59.7768 0.0000 + 121.2214 138.3655 149.8879 167.1500 146.5073 161.1868 143.5806 139.1963 + 170.1277 0.0000 0.0000 99.8749 156.9384 153.8169 0.0000 140.2243 + 127.6369 93.8284 103.4789 148.2519 + -80.9520 -108.6986 157.2933 -116.6262 -115.0731 -170.7661 -143.4146 -113.0170 + -4.0649 0.0000 0.0000 -105.1664 -149.1746 -110.6388 0.0000 62.8034 + 178.2168 -116.2593 -107.7352 -26.6197 + Initial conformation 38 + 97.7094 111.0890 136.0334 169.4862 91.1036 138.1628 119.3096 117.1173 + 112.7152 117.8787 104.1347 107.8491 91.3127 116.1347 143.2307 143.8086 + 121.8794 130.7978 117.7839 139.3752 + -95.1406 -37.2741 -14.6935 41.3524 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Initial conformation 41 + 94.9740 126.5487 113.4868 115.7705 133.3324 94.2838 130.0479 74.0075 + 65.5855 112.7145 118.0074 81.3257 155.2365 94.5061 121.2161 90.0082 + 97.1920 118.6429 159.2424 88.7698 + 78.4962 -153.1091 -75.8327 47.7292 41.7456 45.6929 42.2898 41.5985 + 47.2056 51.9125 50.6731 125.4499 9.3720 -79.0851 -137.5692 -103.2782 + 46.8269 -24.8655 -133.6421 0.0000 + 129.5950 138.3454 143.6102 165.4332 159.9242 167.4461 134.7229 164.6673 + 153.0637 0.0000 0.0000 101.8120 87.8471 147.6172 0.0000 162.9107 + 95.2199 119.2713 128.7271 97.4440 + -152.7961 -43.3193 -176.8679 -134.7041 -28.5379 116.1389 -101.9484 -156.4019 + -138.5998 0.0000 0.0000 -110.4092 -46.5778 -125.0052 0.0000 151.1951 + -112.9894 -120.0263 172.3108 -70.9192 + Initial conformation 42 + 131.4280 135.4352 120.8507 135.7762 108.7531 117.1865 86.9203 115.9079 + 98.2478 116.8458 124.1153 125.1872 88.8080 100.5510 124.2414 111.5170 + 92.9871 74.1372 145.2486 153.7992 + -142.3118 47.8627 -28.8111 44.2258 46.9665 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148.6825 0.0000 125.2769 + 105.7581 122.7161 121.0295 97.7951 + -98.8593 -78.7904 -164.9356 -53.4093 -20.5761 -163.7791 -137.3020 -156.1666 + -134.0638 0.0000 0.0000 -145.4091 -162.9214 -144.1009 0.0000 -29.7644 + -127.5220 -132.5294 -120.5384 -67.4968 + Initial conformation 44 + 139.9665 97.6538 115.7367 95.0766 117.6310 103.8777 85.2109 94.7745 + 111.9968 107.7197 122.4907 102.8742 165.3513 101.7862 155.3406 128.7592 + 116.8432 94.6914 113.5893 87.6936 + 117.2452 -20.3521 64.5158 44.2939 45.1260 49.8929 43.7771 42.1780 + 45.6810 -112.4579 129.3843 128.4491 9.4264 -104.4710 -141.1253 -59.0213 + 103.1307 -74.5436 -141.7783 0.0000 + 158.7031 171.0722 143.2924 141.0264 151.9103 158.5959 165.3591 143.2677 + 133.2331 0.0000 0.0000 118.5398 70.4759 143.8947 0.0000 149.1778 + 124.0111 97.5561 133.1458 105.3774 + -38.0922 -106.9687 -17.7787 -72.6609 -45.9892 160.7659 -110.8660 -131.4500 + -109.6753 0.0000 0.0000 -123.0181 -58.9650 -48.2360 0.0000 -147.4424 + -129.8452 -105.3687 -138.0367 -80.8298 + Initial conformation 45 + 137.3029 130.1113 136.4699 124.5317 89.7120 114.3725 87.8055 141.1845 + 128.7078 102.0701 135.9080 129.4952 99.2092 116.7694 127.3579 112.2564 + 86.9127 110.2232 104.8982 96.7469 + 20.3655 -107.0218 -21.5555 40.2947 49.2356 41.2046 43.1376 45.0766 + 42.7488 86.5668 -89.1617 -177.0452 123.1624 72.6459 -16.6164 -159.3379 + 172.8727 48.5731 116.7007 0.0000 + 156.7456 139.0825 105.4882 159.8423 123.9717 119.5678 135.6409 108.7727 + 99.4797 0.0000 0.0000 117.2798 130.6983 150.1986 0.0000 149.5381 + 103.9071 114.3000 124.1661 149.3022 + -28.1476 -133.8293 -94.7604 -123.9583 -80.2041 -5.6366 -139.0694 -7.1528 + -64.9979 0.0000 0.0000 -133.9219 -91.1286 -114.2968 0.0000 -101.1110 + -118.1757 -115.9933 -134.6193 -85.2523 + Initial conformation 46 + 126.2235 89.0747 102.5399 119.5624 123.5095 144.3164 157.6029 133.4119 + 90.7730 109.3831 148.9125 129.3446 116.8649 102.6645 139.0827 111.7782 + 134.8914 87.1398 169.5192 97.2097 + 46.1655 34.7249 -125.8974 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106.3853 106.3734 0.0000 154.7051 + 127.5097 116.4936 99.3080 138.0418 + -131.1197 -104.4787 168.6280 -102.7940 140.2976 179.4711 -134.2593 153.0435 + -124.2749 0.0000 0.0000 -124.0269 -71.7396 -84.2932 0.0000 -113.7684 + -130.3267 -130.0844 -110.0489 -58.1277 + Initial conformation 48 + 94.0956 120.4170 122.4247 112.3299 124.9830 141.8609 83.5331 82.5985 + 96.8523 140.6506 128.4353 103.2019 136.1912 137.5136 121.1533 120.9087 + 90.7848 110.3330 108.4583 118.9295 + -161.2114 118.1434 -179.3036 49.6118 49.0788 40.3504 47.3525 43.2558 + 44.5720 63.4411 -26.7676 -25.6850 -121.5069 139.1931 -132.5746 -155.7330 + -133.2985 74.9728 -154.5484 0.0000 + 144.7846 135.7204 141.4874 137.7879 140.3693 94.1927 147.8775 160.6774 + 131.6321 0.0000 0.0000 117.5319 94.1562 92.5059 0.0000 133.6635 + 108.1395 97.2334 125.1845 100.0244 + -148.5924 -38.1745 -178.9662 -75.9686 -60.8006 -92.4488 -20.6359 -89.6501 + -93.5806 0.0000 0.0000 -112.6525 -61.7891 -69.6468 0.0000 -39.7436 + -132.9534 -94.2963 -122.3741 -65.2548 + Initial conformation 49 + 100.2831 98.6318 121.7143 137.7656 89.6308 73.0159 118.6241 69.8129 + 125.7192 143.6731 122.0724 83.2092 102.1330 90.2772 108.2650 102.8198 + 119.9665 103.9526 137.1820 112.2549 + -165.5877 64.1422 -8.8720 41.3165 47.3021 46.1593 47.0933 43.4995 + 46.4015 -44.7502 92.2762 138.1603 135.0296 -83.7153 -146.7931 -2.8931 + -54.6842 57.4215 -25.1249 0.0000 + 153.0397 156.8233 106.1630 155.4735 159.7366 160.3310 141.3454 176.5315 + 116.1814 0.0000 0.0000 85.3934 174.0460 139.8336 0.0000 119.9660 + 114.5847 120.2863 142.5004 100.3522 + -58.2882 -124.8322 -92.5242 -135.6449 -153.2015 178.8548 -34.2860 128.6473 + -88.8169 0.0000 0.0000 -75.4946 -73.2906 -96.7286 0.0000 -144.2771 + -118.2889 -110.0941 -172.5031 -64.3126 + Initial conformation 50 + 121.2022 94.7846 126.6234 103.6831 148.2101 120.9864 108.2872 111.0381 + 85.3427 141.1746 153.3234 84.4278 128.2532 117.4260 90.3260 123.2581 + 163.7059 142.0701 122.6735 137.4134 + -163.7499 -32.2995 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141.2110 156.3847 0.0000 129.7799 + 137.1609 129.6278 128.0604 148.3691 + -163.5417 -166.3277 171.2773 -79.6072 -99.7764 -157.0943 -154.7028 8.6351 + -90.6593 0.0000 0.0000 -145.8841 -67.4371 -114.5175 0.0000 -17.9301 + 174.7226 -166.3983 -165.5047 -112.6851 + Initial conformation 193 + 124.1315 108.4439 106.0480 171.0000 101.6135 129.7247 135.8676 118.5409 + 86.7175 128.1670 108.6808 155.5501 96.0928 86.4468 133.1870 124.4527 + 144.2259 97.4365 171.0000 123.9713 + 0.4301 69.8571 174.2621 46.8856 49.6653 40.3409 43.7125 49.2986 + 45.5935 47.3696 -113.8780 -157.4943 13.9727 72.8226 -100.2509 -153.6688 + -110.9542 -4.1964 91.2698 0.0000 + 137.9742 144.3466 143.3598 127.6709 152.9675 132.9591 139.4903 141.6959 + 128.2587 0.0000 0.0000 142.6590 114.5129 141.8964 0.0000 132.5508 + 127.2873 110.3602 161.9906 101.1599 + -101.5130 -29.5332 -9.0417 -60.1482 26.4844 -178.1921 -110.8433 136.4137 + -157.0948 0.0000 0.0000 165.0130 -73.2959 -72.9090 0.0000 -54.6516 + -148.2179 -131.5142 26.0460 -76.1047 + Initial conformation 194 + 108.0520 80.4522 84.3938 145.0011 116.2854 156.5044 92.8934 85.6573 + 120.1665 125.2241 135.9995 127.8779 117.7807 93.6842 162.3888 129.6885 + 86.2535 132.6588 125.8201 95.1519 + 63.2782 67.0982 -92.7581 45.2106 46.0400 47.3373 46.0731 43.5894 + 42.4038 81.2463 -107.4992 111.7921 20.8427 -17.5854 43.5121 177.8670 + -54.3270 172.5926 -94.1513 0.0000 + 112.9408 169.0054 157.1029 154.0037 150.1408 96.6291 160.9844 153.8975 + 155.8613 0.0000 0.0000 130.0522 133.0643 118.7498 0.0000 139.2635 + 98.1744 122.4565 128.3809 115.9149 + -82.7042 11.6770 10.5338 -72.5936 -5.1971 -113.7728 -134.5317 -133.3855 + -37.5908 0.0000 0.0000 -147.0892 -90.7623 -67.8247 0.0000 -80.9001 + -120.8391 -140.7413 -140.4496 -65.4171 + Initial conformation 195 + 126.5534 75.6074 123.7856 123.7009 105.2133 114.9955 129.4389 137.2910 + 109.7693 120.6634 137.3968 120.9261 119.3283 143.0324 153.5796 149.3343 + 112.0285 139.0019 128.6139 82.0692 + -114.3418 94.9509 -28.9775 43.7180 40.9650 40.4809 47.5428 49.7904 + 47.5812 -123.5853 -27.9046 39.1268 -45.5797 -177.4295 11.4858 -157.3930 + -82.7978 27.3747 57.2281 0.0000 + 115.0828 151.5747 132.5638 166.4330 136.3343 139.9351 131.5625 141.8274 + 127.7022 0.0000 0.0000 130.5491 93.9709 98.7754 0.0000 128.9062 + 116.2930 128.6147 126.7074 143.0440 + -87.3978 -149.4793 -20.7167 -51.6486 -113.2483 -146.9296 -29.0597 -115.8569 + -129.0669 0.0000 0.0000 -142.2503 -67.8638 -86.6489 0.0000 18.2143 + -116.2482 -155.3593 -135.8274 -104.0155 + Initial conformation 196 + 123.3079 136.2260 130.9272 124.0509 138.4709 112.4406 139.9273 120.1106 + 103.2033 93.2078 144.6720 171.0000 86.6442 94.1627 129.7857 126.3749 + 119.2945 117.2641 131.0566 98.5429 + 177.5233 -49.7841 -73.0900 42.9877 47.0122 45.2208 46.4816 40.2562 + 43.2401 -170.5789 -7.4777 -158.6303 58.6280 39.0841 4.6260 -157.2266 + 168.6572 122.0050 -130.1892 0.0000 + 149.8035 138.4932 136.1163 172.1319 159.7796 145.6180 148.3242 142.6116 + 138.9599 0.0000 0.0000 157.0808 101.8909 108.9841 0.0000 116.4273 + 123.1337 119.5982 115.6253 128.4768 + -57.6779 -66.4220 -141.6347 -176.1904 -122.6759 -2.5558 -112.3129 108.7502 + -106.0773 0.0000 0.0000 47.9790 -63.5125 -66.0423 0.0000 -110.8517 + -134.8985 -127.1760 -126.8606 -149.1964 + Initial conformation 197 + 133.9942 108.5120 125.2296 166.5550 110.3636 127.2534 150.6359 150.5755 + 95.2913 140.1492 129.3129 131.9301 113.4449 117.1335 124.3217 119.8819 + 109.1126 143.9879 103.0705 69.0923 + -111.7427 -163.8649 -25.2781 42.3421 44.8411 47.0752 44.5230 46.7106 + 48.5157 -66.3101 161.3878 -77.1189 116.2274 28.4085 76.9909 24.8024 + 98.8308 -76.4401 -154.6417 0.0000 + 146.0611 175.3495 148.1209 145.4339 166.3641 161.1057 127.5979 144.7538 + 120.4575 0.0000 0.0000 123.0316 137.1645 138.1585 0.0000 134.9988 + 120.8865 125.1762 85.9954 103.4286 + -67.2061 -96.5897 -7.3987 -79.4813 -69.4116 173.9398 -88.9639 -73.5650 + -90.1930 0.0000 0.0000 -141.0922 -66.2698 -140.1262 0.0000 -30.7131 + -122.0721 -153.7053 -121.3527 -69.0137 + Initial conformation 198 + 95.0593 92.8543 106.1906 115.3285 135.6018 122.8943 119.9116 118.1529 + 97.8709 153.6191 136.2994 156.1475 113.1813 88.7063 119.5056 145.1548 + 89.2011 86.8402 92.5066 157.5677 + 63.5759 52.8236 -141.7767 46.1675 41.2072 48.6360 44.1310 42.7521 + 46.2529 -46.4451 -4.1904 -33.3156 124.1582 -64.4105 -168.3532 -12.4175 + -19.3298 108.9803 80.6687 0.0000 + 163.8003 164.7778 133.6715 158.2815 156.9742 140.3163 159.8560 113.9291 + 127.7643 0.0000 0.0000 124.9665 136.6896 161.3030 0.0000 138.2227 + 90.7037 113.5033 94.2485 95.8728 + -99.2623 -133.6850 -4.0003 -97.1025 -89.7938 -170.4957 -28.3907 -80.0120 + -87.8424 0.0000 0.0000 -179.1124 -3.0713 -90.8874 0.0000 56.2962 + -109.9084 -107.4806 -111.5497 -48.2211 + Initial conformation 199 + 137.3655 114.0477 124.5688 126.0013 158.3865 147.9549 96.4378 112.9533 + 89.2084 143.3163 94.5744 133.6817 116.6606 118.8201 119.7969 143.7275 + 110.0845 122.9849 75.6072 144.2367 + -125.4332 100.0915 -132.3011 47.9181 46.8626 43.8992 45.4459 41.8830 + 46.6833 -121.6731 -7.9002 -62.3283 -49.4270 -27.6861 37.0502 45.8352 + 10.7834 81.8248 51.4534 0.0000 + 111.8612 145.6512 137.1853 173.4917 137.0172 95.8508 163.9025 159.2398 + 117.6940 0.0000 0.0000 127.4530 119.7080 156.7687 0.0000 143.4510 + 119.8467 121.8651 87.9528 86.5014 + -82.8255 -107.6848 -5.9797 -141.3061 -19.8014 -41.7275 -12.4073 -80.5805 + -84.8208 0.0000 0.0000 -137.4037 -36.9068 -107.0869 0.0000 -159.7145 + -119.6846 -128.3950 -99.9675 -52.2248 + Initial conformation 200 + 91.9167 83.4091 138.4285 127.3721 95.1658 125.3700 141.3797 115.7577 + 109.3019 123.3762 154.2266 104.5175 141.0151 109.0772 113.4321 144.0565 + 145.4045 114.6813 102.5131 92.7925 + -132.9258 146.8648 77.1081 49.4986 48.2473 46.6156 44.5884 47.2026 + 47.6105 -52.6819 23.2889 92.5614 99.8138 20.0474 48.5343 118.4507 + 4.7699 139.4234 -43.8936 0.0000 + 149.5870 153.5626 106.9594 171.9186 153.5312 160.0897 134.9701 165.1010 + 138.4799 0.0000 0.0000 118.3480 130.7646 161.4068 0.0000 122.7623 + 120.0981 118.7096 119.5670 110.1143 + 14.5416 -17.3902 -75.2499 -155.6017 -110.4869 -167.7504 -69.7788 144.2101 + -84.9015 0.0000 0.0000 -118.8413 -112.1034 -63.7247 0.0000 -48.9937 + -144.8544 -119.4284 -120.6032 -70.2798 + Calling FEEDIN NCONF 200 + Time for first bank min. 1.64062500000000 + AVEDIF 1380.39518767361 + make_var : nseed= 20 ntry= 420 + Time for make trial 1 0.05 +Nonsetup time 2.04 sec, Eval/s = 63186.39 +Time for iter 1 2.04 sec, Eval/s = 63186.39 + UPDATING 389 + -1 e 1 19 etot 1.3528E+20 mv 6 0 1 96 0 + 8 e 91 11 etot -6.3996E+01 mv 6 0 1 53 0 c 53 403.3 1.2 + 8 e 146 25 etot -6.3991E+01 mv 6 0 2 52 0 c 52 589.5 1.1 + 4 e 194 7 etot -5.6978E+01 mv 6 0 49 7 0 + 4 e 243 32 etot -5.3186E+01 mv 6 0 3 174 0 c 181 508.4 11.5 + 4 e 266 12 etot -5.9383E+01 mv 6 0 1 145 0 c 145 539.0 8.6 + 4 e 277 26 etot -7.2443E+01 mv 6 0 2 57 0 + 4 e 276 15 etot -7.4888E+01 mv 6 0 1 119 0 c 1 20.2 0.3 + 4 e 430 1 etot -6.6364E+01 mv 6 0 49 132 0 c 49 523.1 3.1 + 4 e 409 3 etot -5.5998E+01 mv 6 0 49 78 0 f 198 683.1******** + 4 e 375 4 etot -6.2754E+01 mv 6 0 49 2 0 f 199 727.5******** + 4 e 330 9 etot -6.2238E+01 mv 6 0 49 155 0 + 4 e 335 17 etot -6.3355E+01 mv 6 0 1 171 0 + 4 e 202 21 etot -5.6933E+01 mv 6 0 2 113 0 + -1 e 1 40 etot 1.3528E+20 mv 6 0 3 199 0 + 4 e 139 31 etot -7.1684E+01 mv 6 0 3 53 0 + 4 e 522 2 etot -5.7722E+01 mv 6 0 49 126 0 c 126 639.3 4.2 + 4 e 199 29 etot -2.1271E+01 mv 6 0 2 197 0 c 197 231.0 2.2 + 4 e 412 5 etot -5.4197E+01 mv 6 0 49 70 0 + 4 e 294 33 etot -6.5143E+01 mv 6 0 3 171 0 f 200 673.9******** + 4 e 396 18 etot -6.5052E+01 mv 6 0 1 71 0 c 71 449.1 4.1 + 4 e 440 16 etot -5.4405E+01 mv 6 0 1 188 0 + 4 e 219 36 etot -7.3307E+01 mv 6 0 3 28 0 c 3 491.8 1.1 + 4 e 469 24 etot -5.1792E+01 mv 6 0 2 137 0 + 8 e 121 42 etot -6.3988E+01 mv 6 0 5 58 0 + 4 e 374 35 etot -5.9378E+01 mv 6 0 3 130 0 c 113 613.2 4.1 + 4 e 232 38 etot -7.3075E+01 mv 6 0 3 157 0 + 4 e 464 27 etot -7.4977E+01 mv 6 0 2 45 0 c 66 412.3 13.6 + 4 e 206 46 etot -6.8463E+01 mv 6 0 5 123 0 f 197 672.0 47.2 + 4 e 295 48 etot -7.3530E+01 mv 6 0 5 84 0 c 5 361.9 1.4 + 4 e 565 8 etot -6.8203E+01 mv 6 0 49 61 0 c 49 462.8 1.8 + 4 e 541 10 etot -6.1844E+01 mv 6 0 49 63 0 + 4 e 630 13 etot -6.9031E+01 mv 6 0 1 198 0 + 4 e 228 39 etot -7.4914E+01 mv 6 0 3 43 0 c 200 569.7 9.8 + 4 e 284 53 etot -5.7879E+01 mv 6 0 7 112 0 + 4 e 289 44 etot -4.3064E+01 mv 6 0 5 159 0 f 196 704.9 20.2 + 4 e 411 41 etot -6.0760E+01 mv 6 0 5 177 0 f 195 920.7 30.5 + 4 e 174 52 etot -3.6591E+01 mv 6 0 7 179 0 f 194 719.8 4.6 + 4 e 244 54 etot -6.9904E+01 mv 6 0 7 135 0 c 135 582.5 17.7 + 4 e 406 20 etot -6.7963E+01 mv 6 0 1 41 0 + 4 e 164 59 etot -5.5646E+01 mv 6 0 7 112 0 + 4 e 397 23 etot -7.3051E+01 mv 6 0 2 97 0 + 4 e 354 43 etot -7.5545E+01 mv 6 0 5 11 0 c 11 283.6 4.6 + 4 e 526 50 etot -7.5096E+01 mv 6 0 5 66 0 c 5 386.5 1.6 + 4 e 305 57 etot -6.0920E+01 mv 6 0 7 43 0 + 4 e 364 51 etot -7.1682E+01 mv 6 0 7 62 0 c 7 618.4 0.3 + 4 e 526 37 etot -6.5783E+01 mv 6 0 3 144 0 + 4 e 144 64 etot -5.4198E+01 mv 6 0 14 133 0 f 193 799.2 20.8 + 4 e 308 58 etot -7.1402E+01 mv 6 0 7 89 0 + 4 e 205 49 etot -6.6643E+01 mv 6 0 5 48 0 c 48 410.0 3.3 + 4 e 255 66 etot -7.1319E+01 mv 6 0 14 11 0 + 4 e 554 56 etot -6.5302E+01 mv 6 0 7 40 0 f 192 859.8 31.9 + 4 e 300 70 etot -5.1501E+01 mv 6 0 14 159 0 c 196 487.7 8.4 + 4 e 432 28 etot -7.1363E+01 mv 6 0 2 107 0 + 4 e 336 62 etot -6.8514E+01 mv 6 0 14 4 0 + 4 e 312 60 etot -6.6724E+01 mv 6 0 7 22 0 f 191 764.9 31.2 + 4 e 221 72 etot -7.0023E+01 mv 6 0 15 92 0 + 4 e 737 34 etot -7.4097E+01 mv 6 0 3 47 0 c 47 557.5 10.5 + 4 e 407 68 etot -7.0295E+01 mv 6 0 14 30 0 c 14 55.2 0.1 + 4 e 410 69 etot -6.7972E+01 mv 6 0 14 138 0 + -1 e 1 91 etot 1.3528E+20 mv 6 0 30 192 0 + 4 e 194 78 etot -4.8848E+01 mv 6 0 15 192 0 f 190 702.9 12.8 + 4 e 214 77 etot -6.6520E+01 mv 6 0 15 87 0 + 4 e 225 75 etot -7.0465E+01 mv 6 0 15 63 0 c 15 185.5 0.4 + 4 e 428 61 etot -6.8981E+01 mv 6 0 14 190 0 + 4 e 307 47 etot -6.4895E+01 mv 6 0 5 92 0 + 4 e 181 82 etot -5.6019E+01 mv 6 0 29 119 0 c 119 310.9 1.9 + 4 e 254 79 etot -4.8581E+01 mv 6 0 15 137 0 + 4 e 166 71 etot -5.6652E+01 mv 6 0 15 103 0 c 103 163.1 0.4 + 4 e 500 67 etot -6.2638E+01 mv 6 0 14 167 0 f 189 718.5 26.3 + -1 e 1 100 etot 1.3528E+20 mv 6 0 30 161 0 + 4 e 95 81 etot -5.2853E+01 mv 6 0 29 132 0 c 132 1.8 0.0 + 4 e 106 88 etot -7.0896E+01 mv 6 0 29 11 0 + 4 e 554 55 etot -6.7942E+01 mv 6 0 7 21 0 + 4 e 320 76 etot -4.5423E+01 mv 6 0 15 165 0 f 194 727.9 8.8 + -1 e 1 106 etot 1.3528E+20 mv 6 0 31 200 0 + 8 e 80 95 etot -6.3988E+01 mv 6 0 30 182 0 + 4 e 568 65 etot -6.6257E+01 mv 6 0 14 120 0 + 4 e 216 87 etot -6.5903E+01 mv 6 0 29 184 0 + 4 e 285 83 etot -5.7215E+01 mv 6 0 29 95 0 + 4 e 568 63 etot -7.0294E+01 mv 6 0 14 181 0 + 4 e 170 93 etot -5.3186E+01 mv 6 0 30 145 0 + 4 e 276 86 etot -6.7626E+01 mv 6 0 29 65 0 c 29 102.2 1.5 + 4 e 83 109 etot -6.2815E+01 mv 6 0 31 55 0 c 55 2.3 0.0 + 4 e 246 90 etot -5.7889E+01 mv 6 0 29 92 0 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-6.9650E+01 mv 6 0 31 42 0 f 184 724.9 28.6 + 4 e 232 121 etot -6.8646E+01 mv 6 0 36 164 0 c 36 486.9 3.5 + 4 e 433 110 etot -6.2765E+01 mv 6 0 31 68 0 + 4 e 475 108 etot -6.9529E+01 mv 6 0 31 4 0 c 20 636.0 0.4 + 4 e 261 123 etot -7.0309E+01 mv 6 0 36 38 0 c 60 568.2 8.4 + 4 e 593 45 etot -7.5594E+01 mv 6 0 5 74 0 c 5 576.4 0.5 + 4 e 187 137 etot -7.0199E+01 mv 6 0 18 137 0 c 18 186.0 0.9 + 4 e 493 120 etot -5.6528E+01 mv 6 0 32 104 0 c 104 543.4 0.4 + 4 e 515 119 etot -6.6602E+01 mv 6 0 32 90 0 c 185 415.3 10.2 + 4 e 251 138 etot -6.8238E+01 mv 6 0 18 66 0 + 4 e 297 130 etot -6.3752E+01 mv 6 0 36 194 0 + 4 e 186 133 etot -5.3056E+01 mv 6 0 18 142 0 c 142 210.4 1.9 + 4 e 566 112 etot -5.7460E+01 mv 6 0 32 51 0 + 4 e 292 132 etot -5.3578E+01 mv 6 0 18 125 0 + 4 e 504 115 etot -5.8153E+01 mv 6 0 32 76 0 + 4 e 772 101 etot -6.3449E+01 mv 6 0 31 178 0 c 130 643.3 10.3 + 4 e 333 122 etot -6.8411E+01 mv 6 0 36 33 0 c 33 228.0 2.9 + 4 e 170 139 etot -6.6683E+01 mv 6 0 18 59 0 c 59 253.1 4.6 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265 etot -4.5026E+01 mv 2 0 -166 -23 0 + 4 e 606 248 etot -6.5539E+01 mv 2 0 -88 -102 0 c 88 610.1 7.0 + 4 e 601 253 etot -5.8890E+01 mv 2 0 -122 -53 0 + 4 e 658 231 etot -7.6896E+01 mv 2 0 -72 -97 0 c 127 596.5 15.3 + 4 e 205 287 etot -3.3291E+01 mv 2 0 -10 -168 0 + 4 e 228 285 etot -2.8587E+01 mv 2 0 -181 -187 0 + 4 e 147 292 etot -4.3910E+01 mv 2 0 -128 -146 0 + 4 e 162 295 etot -3.9127E+01 mv 2 0 -180 -182 0 + 4 e 415 260 etot -5.9564E+01 mv 2 0 -69 -15 0 + 4 e 704 234 etot -6.1683E+01 mv 2 0 -110 -22 0 f 157 699.2 14.6 + 4 e 435 275 etot -4.6942E+01 mv 2 0 -108 -145 0 + 4 e 369 273 etot -5.6601E+01 mv 2 0 -17 -140 0 + 8 e 375 279 etot -6.3996E+01 mv 2 0 -117 -158 0 c 117 621.0 9.5 + 4 e 200 296 etot -5.2126E+01 mv 2 0 -137 -66 0 c 137 116.6 0.2 + 4 e 521 251 etot -5.8972E+01 mv 2 0 -60 -75 0 f 156 802.4 11.9 + 4 e 307 291 etot -5.1004E+01 mv 2 0 -98 -114 0 + 4 e 475 278 etot -6.6966E+01 mv 2 0 -57 -109 0 + 4 e 302 294 etot -6.5686E+01 mv 2 0 -103 -153 0 c 103 582.0 9.0 + 4 e 439 286 etot -5.5824E+01 mv 2 0 -103 -33 0 f 155 691.2 8.5 + 4 e 416 289 etot -6.8163E+01 mv 2 0 -128 -100 0 + 4 e 286 290 etot -4.0367E+01 mv 2 0 -114 -113 0 + 4 e 161 311 etot -6.4883E+01 mv 1 0 -28 -31 0 + 4 e 454 288 etot -3.9485E+01 mv 2 0 -194 -12 0 + 4 e 543 264 etot -3.2482E+01 mv 2 0 -197 -126 0 + 4 e 525 269 etot -4.4887E+01 mv 2 0 -144 -82 0 + 4 e 244 309 etot -5.4954E+01 mv 1 0 -72 -186 0 + 4 e 410 297 etot -6.8672E+01 mv 2 0 -132 -54 0 c 78 560.8 4.7 + 4 e 386 301 etot -5.4192E+01 mv 1 0 -32 -183 0 f 154 667.0 6.6 + 4 e 383 303 etot -6.9799E+01 mv 1 0 -13 -157 0 + 4 e 468 300 etot -6.6576E+01 mv 2 0 -54 -83 0 c 54 393.5 2.6 + 4 e 255 307 etot -5.9368E+01 mv 1 0 -186 -11 0 f 153 695.7 11.3 + 4 e 526 284 etot -5.6478E+01 mv 2 0 -174 -21 0 f 152 839.8 8.2 + 4 e 320 308 etot -6.2747E+01 mv 1 0 -78 -4 0 f 190 746.6 13.9 + 4 e 506 305 etot -6.7922E+01 mv 1 0 -25 -178 0 c 25 16.9 0.0 + 4 e 203 324 etot -5.5337E+01 mv 1 0 -127 -158 0 f 150 697.9 6.3 + 4 e 262 321 etot -5.2936E+01 mv 1 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-5.1332E+01 mv 1 0 -66 -79 0 + 4 e 281 360 etot -6.1168E+01 mv 1 0 -130 -85 0 + -1 e 1 373 etot 1.3528E+20 mv 1 0 -164 -67 0 + 4 e 530 342 etot -6.2271E+01 mv 1 0 -69 -73 0 c 65 580.6 0.7 + 4 e 360 353 etot -5.6140E+01 mv 1 0 -117 -188 0 + 4 e 400 335 etot -5.6452E+01 mv 1 0 -102 -67 0 c 102 483.5 0.2 + 4 e 206 370 etot -5.4822E+01 mv 1 0 -112 -170 0 + 4 e 563 346 etot -5.7629E+01 mv 1 0 -130 -45 0 + 4 e 563 343 etot -4.5869E+01 mv 1 0 -171 -130 0 + 4 e 489 331 etot -4.0541E+01 mv 1 0 -190 -152 0 + -1 e 1 381 etot 1.3528E+20 mv 1 0 -93 -64 0 + 4 e 419 338 etot -5.8982E+01 mv 1 0 -125 -99 0 f 146 682.8 8.2 + 4 e 536 350 etot -7.2135E+01 mv 1 0 -17 -46 0 c 17 175.6 2.7 + 4 e 265 365 etot -5.4575E+01 mv 1 0 -94 -66 0 + 4 e 460 357 etot -6.7577E+01 mv 1 0 -66 -33 0 + 4 e 463 363 etot -7.0630E+01 mv 1 0 -6 -76 0 + -1 e 1 387 etot 1.3528E+20 mv 1 0 -171 -96 0 + 4 e 367 354 etot -5.1551E+01 mv 1 0 -175 -125 0 f 144 814.4 0.7 + 4 e 160 376 etot -5.2912E+01 mv 1 0 -127 -148 0 + 4 e 212 374 etot -5.6099E+01 mv 1 0 -14 -13 0 + 4 e 491 361 etot -6.6483E+01 mv 1 0 -93 -132 0 c 93 561.0 9.0 + 4 e 383 364 etot -6.7470E+01 mv 1 0 -28 -78 0 + 4 e 414 356 etot -6.1036E+01 mv 1 0 -82 -3 0 c 82 93.3 1.9 + 4 e 644 358 etot -4.8412E+01 mv 1 0 -59 -45 0 + 4 e 436 369 etot -5.3355E+01 mv 1 0 -161 -78 0 f 149 830.4 2.4 + 4 e 573 362 etot -7.5690E+01 mv 1 0 -86 -71 0 c 19 610.9 0.5 + 4 e 235 378 etot -3.7659E+01 mv 1 0 -193 -6 0 + 4 e 495 352 etot -6.0422E+01 mv 1 0 -98 -160 0 c 98 331.9 3.4 + 4 e 540 367 etot -6.3735E+01 mv 1 0 -43 -85 0 c 165 650.8 6.5 + 4 e 493 359 etot -7.5097E+01 mv 1 0 -5 -53 0 + 4 e 472 366 etot -5.6691E+01 mv 1 0 -76 -96 0 + 4 e 657 368 etot -6.6540E+01 mv 1 0 -53 -97 0 f 143 762.8 15.5 + 4 e 384 386 etot -5.7234E+01 mv 1 0 -67 -34 0 c 155 548.4 1.4 + 4 e 306 391 etot -5.7828E+01 mv 1 0 -93 -113 0 + 4 e 531 375 etot -6.5932E+01 mv 1 0 -33 -132 0 + 4 e 586 371 etot -6.5022E+01 mv 1 0 -120 -72 0 + 4 e 266 397 etot -5.4851E+01 mv 1 0 -125 -83 0 + 4 e 295 396 etot -2.6569E+01 mv 1 0 -197 -63 0 + 4 e 501 380 etot -6.5549E+01 mv 1 0 -12 -148 0 + 4 e 616 372 etot -6.2724E+01 mv 1 0 -184 -172 0 c 189 560.3 0.1 + 4 e 406 388 etot -6.0414E+01 mv 1 0 -44 -130 0 + 4 e 163 403 etot -7.2763E+01 mv 0 0 2 0 0 c 2 11.8 0.0 + 4 e 95 404 etot -7.2223E+01 mv 0 0 3 0 0 + 4 e 123 406 etot -7.1403E+01 mv 0 0 7 0 0 + 4 e 272 393 etot -5.3482E+01 mv 1 0 -119 -88 0 c 141 581.8 2.2 + 4 e 567 384 etot -6.3669E+01 mv 1 0 -56 -145 0 + 8 e 2 415 etot -6.3985E+01 mv 0 0 43 0 0 + 4 e 116 408 etot -7.0070E+01 mv 0 0 15 0 0 + 4 e 508 392 etot -6.3934E+01 mv 1 0 -113 -57 0 +## N0 total= 5 close= 1 far= 0 %acc 20.0 +## N1 total= 88 close= 15 far= 13 %acc 31.8 +## N2 total= 100 close= 23 far= 16 %acc 39.0 +## N3 total= 0 close= 0 far= 0 %acc 0.0 +## N4 total= 0 close= 0 far= 0 %acc 0.0 +## N5 total= 0 close= 0 far= 0 %acc 0.0 +## N6 total= 196 close= 69 far= 33 %acc 52.0 +## N7 total= 0 close= 0 far= 0 %acc 0.0 +## N8 total= 0 close= 0 far= 0 %acc 0.0 +## N9 total= 0 close= 0 far= 0 %acc 0.0 +##N10 total= 0 close= 0 far= 0 %acc 0.0 +##N11 total= 0 close= 0 far= 0 %acc 0.0 +##N12 total= 0 close= 0 far= 0 %acc 0.0 +##N13 total= 0 close= 0 far= 0 %acc 0.0 +##N14 total= 0 close= 0 far= 0 %acc 0.0 +##N15 total= 0 close= 0 far= 0 %acc 0.0 +##N16 total= 0 close= 0 far= 0 %acc 0.0 +##N17 total= 0 close= 0 far= 0 %acc 0.0 +##N18 total= 0 close= 0 far= 0 %acc 0.0 + Time for refresh 1 0.43 + make_var : nseed= 20 ntry= 420 + Time for make trial 2 0.05 +Nonsetup time 4.18 sec, Eval/s = 63398.68 +Time for iter 2 2.14 sec, Eval/s = 63601.26 + UPDATING 420 + 4 e 617 419 etot -6.4724E+01 mv 0 0 56 0 0 + 4 e 149 411 etot -6.5896E+01 mv 0 0 31 0 0 c 31 2.7 0.0 + 4 e 251 410 etot -6.6227E+01 mv 0 0 30 0 0 + 4 e 91 420 etot -6.2428E+01 mv 0 0 57 0 0 + 4 e 698 379 etot -6.2774E+01 mv 1 0 -99 -184 0 + 4 e 465 400 etot -6.7943E+01 mv 1 0 -185 -98 0 c 59 579.2 1.3 + 4 e 272 405 etot -7.3871E+01 mv 0 0 5 0 0 + 4 e 393 407 etot -7.0294E+01 mv 0 0 14 0 0 + 4 e 804 390 etot -7.7546E+01 mv 1 0 -36 -98 0 c 33 600.7 9.1 + 4 e 428 398 etot -5.3148E+01 mv 1 0 -150 -176 0 f 196 780.0 1.6 + 4 e 153 409 etot -6.6164E+01 mv 0 0 29 0 0 + 4 e 132 412 etot -6.5609E+01 mv 0 0 32 0 0 + 4 e 168 14 etot -5.6883E+01 mv 6 0 1 144 0 + 4 e 115 413 etot -6.5184E+01 mv 0 0 36 0 0 + 4 e 92 417 etot -6.2859E+01 mv 0 0 51 0 0 + 4 e 118 414 etot -6.9303E+01 mv 0 0 18 0 0 + 4 e 118 418 etot -6.2815E+01 mv 0 0 54 0 0 + 4 e 430 395 etot -7.0339E+01 mv 1 0 -43 -131 0 + 4 e 218 402 etot -7.4556E+01 mv 0 0 1 0 0 + 4 e 425 385 etot -3.6201E+01 mv 1 0 -193 -166 0 + 4 e 275 22 etot -7.3601E+01 mv 6 0 2 68 0 c 2 276.1 0.8 + 4 e 594 389 etot -7.4996E+01 mv 1 0 -6 -199 0 c 6 489.8 3.3 + 4 e 289 399 etot -5.6534E+01 mv 1 0 -113 -46 0 + 4 e 219 401 etot -6.3255E+01 mv 0 0 49 0 0 c 199 359.3 0.5 + 4 e 463 383 etot -5.9560E+01 mv 1 0 -107 -148 0 c 107 585.9 3.8 + 4 e 516 394 etot -4.1063E+01 mv 1 0 -184 -191 0 + 4 e 562 377 etot -6.0693E+01 mv 1 0 -85 -108 0 c 85 402.6 1.8 + 4 e 524 382 etot -2.9385E+01 mv 1 0 -196 -139 0 + 4 e 202 416 etot -6.3658E+01 mv 0 0 45 0 0 + -1 e 1 25 etot 1.3528E+20 mv 6 1 43 158 0 + 4 e 159 30 etot -6.5908E+01 mv 6 1 43 180 0 c 180 4.1 0.0 + 4 e 167 4 etot -5.4153E+01 mv 6 1 182 88 0 + 4 e 178 19 etot -6.2296E+01 mv 6 1 5 81 0 c 81 293.7 2.8 + 4 e 198 8 etot -5.6135E+01 mv 6 1 182 119 0 c 119 207.0 0.1 + 4 e 190 22 etot -7.8589E+01 mv 6 1 43 150 0 c 43 29.7 0.1 + 4 e 282 2 etot -5.5155E+01 mv 6 1 182 114 0 c 182 5.4 0.0 + 4 e 301 3 etot -5.2308E+01 mv 6 1 182 153 0 + 4 e 221 7 etot -5.5234E+01 mv 6 1 182 15 0 c 182 206.0 0.1 + 4 e 237 14 etot -6.5939E+01 mv 6 1 5 68 0 c 68 426.9 4.7 + 4 e 236 18 etot -7.3926E+01 mv 6 1 5 116 0 + 4 e 643 6 etot -7.1700E+01 mv 6 0 49 5 0 c 199 359.0 8.4 + 4 e 311 29 etot -6.9108E+01 mv 6 1 43 76 0 + 4 e 328 5 etot -5.1689E+01 mv 6 1 182 174 0 + 4 e 303 11 etot -7.3925E+01 mv 6 1 5 168 0 + 4 e 315 15 etot -7.2969E+01 mv 6 1 5 3 0 + 4 e 351 9 etot -6.5773E+01 mv 6 1 182 129 0 + 4 e 496 1 etot -5.9127E+01 mv 6 1 182 30 0 c 182 623.0 3.9 + 4 e 423 17 etot -7.3286E+01 mv 6 1 5 159 0 + 4 e 370 24 etot -7.1030E+01 mv 6 1 43 37 0 c 37 100.1 1.3 + 4 e 151 40 etot -6.1614E+01 mv 6 1 127 27 0 f 144 657.0 10.1 + 4 e 438 10 etot -7.0914E+01 mv 6 1 182 33 0 c 180 450.1 5.0 + 4 e 490 12 etot -7.1032E+01 mv 6 1 5 72 0 c 68 460.1 5.1 + 4 e 275 34 etot -7.9394E+01 mv 6 1 127 164 0 c 127 154.5 2.5 + 4 e 423 36 etot -6.3329E+01 mv 6 1 127 138 0 + 4 e 275 37 etot -6.5246E+01 mv 6 1 127 141 0 + 4 e 244 43 etot -5.7767E+01 mv 6 1 200 83 0 + 4 e 308 41 etot -7.4694E+01 mv 6 1 200 121 0 + 4 e 545 6 etot -6.2795E+01 mv 6 1 182 42 0 f 163 905.2 11.1 + 4 e 313 38 etot -7.6897E+01 mv 6 1 127 72 0 + 4 e 256 46 etot -6.6561E+01 mv 6 1 200 126 0 + 4 e 191 44 etot -6.6476E+01 mv 6 1 200 117 0 c 117 348.4 2.5 + 4 e 158 52 etot -6.6358E+01 mv 6 1 135 79 0 + 4 e 499 13 etot -7.6988E+01 mv 6 1 5 107 0 c 5 485.0 1.4 + 4 e 290 39 etot -6.2832E+01 mv 6 1 127 32 0 + 4 e 481 16 etot -7.4298E+01 mv 6 1 5 160 0 + 4 e 132 50 etot -7.5060E+01 mv 6 1 200 20 0 c 200 10.0 0.1 + 4 e 505 23 etot -7.0954E+01 mv 6 1 43 169 0 f 138 712.7 19.1 + 4 e 499 26 etot -6.3957E+01 mv 6 1 43 194 0 + 4 e 261 27 etot -7.8460E+01 mv 6 1 43 153 0 + 4 e 181 42 etot -7.5203E+01 mv 6 1 200 27 0 c 200 17.3 0.1 + 4 e 433 35 etot -6.5756E+01 mv 6 1 127 95 0 f 137 694.6 13.6 + 4 e 347 47 etot -6.1913E+01 mv 6 1 200 131 0 + 4 e 471 31 etot -7.2925E+01 mv 6 1 127 34 0 c 72 497.8 12.0 + 4 e 250 51 etot -6.3871E+01 mv 6 1 135 116 0 c 116 582.1 3.6 + 4 e 538 20 etot -7.8532E+01 mv 6 1 5 108 0 c 5 490.2 1.5 + 4 e 660 28 etot -7.9999E+01 mv 6 1 43 112 0 c 43 93.9 1.4 + 4 e 544 32 etot -7.1402E+01 mv 6 1 127 121 0 c 73 487.6 10.5 + 4 e 135 56 etot -6.2073E+01 mv 6 1 135 178 0 f 136 678.0 9.9 + 4 e 393 53 etot -7.4599E+01 mv 6 1 135 41 0 c 135 61.8 1.3 + 4 e 226 63 etot -6.4040E+01 mv 6 1 4 113 0 c 136 626.7 2.0 + 4 e 397 45 etot -6.6732E+01 mv 6 1 200 189 0 + 4 e 302 48 etot -7.6826E+01 mv 6 1 200 51 0 c 200 484.0 1.6 + 4 e 540 33 etot -6.8832E+01 mv 6 1 127 134 0 + 4 e 636 21 etot -7.6863E+01 mv 6 1 43 152 0 + 4 e 150 67 etot -6.0255E+01 mv 6 1 4 76 0 c 76 4.8 0.0 + 4 e 644 30 etot -7.4155E+01 mv 6 0 2 98 0 + -1 e 1 82 etot 1.3528E+20 mv 6 1 7 111 0 + 4 e 263 60 etot -7.3284E+01 mv 6 1 135 96 0 + 4 e 265 61 etot -6.9087E+01 mv 6 1 4 47 0 + 4 e 324 54 etot -6.0947E+01 mv 6 1 135 128 0 + 4 e 319 55 etot -7.3264E+01 mv 6 1 135 85 0 + -1 e 1 90 etot 1.3528E+20 mv 6 1 7 5 0 + 4 e 347 62 etot -7.4851E+01 mv 6 1 4 145 0 c 4 143.8 2.7 + 4 e 242 68 etot -7.1248E+01 mv 6 1 4 48 0 + 4 e 334 64 etot -6.6731E+01 mv 6 1 4 34 0 + 4 e 361 66 etot -7.4608E+01 mv 6 1 4 60 0 + 4 e 383 72 etot -7.6351E+01 mv 6 1 26 63 0 c 26 131.6 4.3 + 4 e 278 71 etot -7.4064E+01 mv 6 1 26 158 0 + 8 e 445 49 etot -6.3989E+01 mv 6 1 200 67 0 c 67 565.9 2.6 + 4 e 225 87 etot -7.1858E+01 mv 6 1 7 171 0 c 7 38.0 0.2 + 4 e 265 76 etot -6.9770E+01 mv 6 1 26 25 0 c 136 476.0 5.7 + 4 e 398 74 etot -6.3769E+01 mv 6 1 26 171 0 + 4 e 473 59 etot -7.1659E+01 mv 6 1 135 122 0 + 4 e 251 77 etot -6.8786E+01 mv 6 1 26 89 0 + -1 e 1 104 etot 1.3528E+20 mv 6 1 62 86 0 + 4 e 260 78 etot -5.9724E+01 mv 6 1 26 116 0 + 4 e 182 85 etot -6.7843E+01 mv 6 1 7 129 0 + 4 e 322 73 etot -6.3648E+01 mv 6 1 26 159 0 + 4 e 480 65 etot -6.3776E+01 mv 6 1 4 158 0 c 134 527.1 11.5 + 4 e 325 80 etot -6.7176E+01 mv 6 1 26 12 0 + 4 e 327 79 etot -6.2719E+01 mv 6 1 26 181 0 + 4 e 161 97 etot -6.4713E+01 mv 6 1 9 178 0 c 178 417.4 4.9 + 8 e 149 94 etot -6.3997E+01 mv 6 1 9 63 0 + 4 e 259 93 etot -5.7725E+01 mv 6 1 9 110 0 c 110 294.4 2.3 + 4 e 164 100 etot -6.8939E+01 mv 6 1 9 72 0 + 4 e 350 88 etot -6.7769E+01 mv 6 1 7 162 0 + 4 e 318 91 etot -7.2653E+01 mv 6 1 9 125 0 c 9 245.1 1.5 + 4 e 598 57 etot -6.7756E+01 mv 6 1 135 17 0 f 133 642.4 15.3 + 4 e 331 92 etot -6.5172E+01 mv 6 1 9 10 0 + 4 e 671 58 etot -7.0661E+01 mv 6 1 135 93 0 + 4 e 416 89 etot -7.2441E+01 mv 6 1 7 183 0 c 7 99.8 0.6 + 4 e 208 105 etot -7.1177E+01 mv 6 1 62 78 0 c 62 3.1 0.0 + 8 e 227 102 etot -6.3995E+01 mv 6 1 62 180 0 + 4 e 334 83 etot -7.2649E+01 mv 6 1 7 137 0 c 7 20.7 0.2 + 8 e 56 119 etot -6.3993E+01 mv 6 1 171 197 0 + 4 e 508 70 etot -6.5415E+01 mv 6 1 4 89 0 + 4 e 209 99 etot -7.0686E+01 mv 6 1 9 13 0 + 4 e 390 95 etot -6.4098E+01 mv 6 1 9 59 0 c 77 480.3 3.9 + 4 e 530 81 etot -7.6561E+01 mv 6 1 7 4 0 f 131 671.7 23.6 + 4 e 338 96 etot -6.1229E+01 mv 6 1 9 147 0 c 147 217.9 4.5 + 4 e 234 98 etot -5.7533E+01 mv 6 1 9 110 0 f 142 760.4 4.5 + 4 e 449 75 etot -5.6192E+01 mv 6 1 26 133 0 + 4 e 174 117 etot -6.4785E+01 mv 6 1 171 37 0 c 57 618.5 0.1 + 4 e 203 86 etot -7.1528E+01 mv 6 1 7 101 0 + 4 e 171 118 etot -6.0013E+01 mv 6 1 171 188 0 f 140 992.1 6.9 + 4 e 293 109 etot -7.1110E+01 mv 6 1 62 19 0 + 4 e 194 116 etot -6.3128E+01 mv 6 1 171 178 0 + 4 e 146 129 etot -4.6547E+01 mv 6 1 14 152 0 + 4 e 235 120 etot -6.1466E+01 mv 6 1 171 185 0 f 196 787.8 8.3 + 4 e 325 69 etot -6.5728E+01 mv 6 1 4 143 0 + 4 e 357 112 etot -6.4205E+01 mv 6 1 171 198 0 f 181 661.3 11.0 + 4 e 291 122 etot -5.8483E+01 mv 6 1 14 122 0 + 4 e 411 111 etot -6.8973E+01 mv 6 1 171 166 0 + -1 e 1 143 etot 1.3528E+20 mv 6 1 32 146 0 + 4 e 524 103 etot -6.2261E+01 mv 6 1 62 152 0 c 152 610.3 5.8 + 4 e 204 135 etot -6.4489E+01 mv 6 1 166 83 0 c 83 569.4 5.5 + 4 e 302 123 etot -5.9800E+01 mv 6 1 14 124 0 f 128 678.7 6.5 + 4 e 543 106 etot -6.8804E+01 mv 6 1 62 59 0 c 59 540.6 0.9 + 4 e 208 137 etot -5.9352E+01 mv 6 1 166 160 0 c 160 321.7 4.0 + 4 e 364 108 etot -6.6819E+01 mv 6 1 62 53 0 + 4 e 220 136 etot -5.4414E+01 mv 6 1 166 124 0 c 124 75.7 0.5 + 4 e 210 126 etot -6.8812E+01 mv 6 1 14 146 0 + 4 e 328 125 etot -7.0295E+01 mv 6 1 14 152 0 + 4 e 305 113 etot -5.4543E+01 mv 6 1 171 124 0 f 149 746.3 1.2 + 4 e 477 114 etot -7.0608E+01 mv 6 1 171 145 0 c 83 554.8 6.1 + 4 e 541 110 etot -6.5682E+01 mv 6 1 62 183 0 + 4 e 544 84 etot -7.1232E+01 mv 6 1 7 14 0 + 4 e 247 127 etot -6.8215E+01 mv 6 1 14 98 0 + 4 e 379 128 etot -6.7817E+01 mv 6 1 14 196 0 + 4 e 528 115 etot -7.2934E+01 mv 6 1 171 58 0 c 58 323.4 4.6 + 4 e 456 121 etot -7.0830E+01 mv 6 1 14 187 0 c 14 515.0 0.5 + 4 e 132 146 etot -6.6136E+01 mv 6 1 32 78 0 + 4 e 496 101 etot -6.0380E+01 mv 6 1 62 49 0 + 4 e 340 124 etot -6.9223E+01 mv 6 1 14 115 0 c 115 486.7 9.2 + 4 e 230 134 etot -6.1103E+01 mv 6 1 166 61 0 + -1 e 1 165 etot 1.3528E+20 mv 6 1 172 191 0 + 4 e 200 140 etot -6.0477E+01 mv 6 1 166 160 0 c 160 143.0 1.1 + 4 e 271 132 etot -6.0614E+01 mv 6 1 166 88 0 + 4 e 256 142 etot -7.0073E+01 mv 6 1 32 91 0 c 32 215.4 0.1 + 4 e 461 133 etot -7.0660E+01 mv 6 1 166 169 0 c 166 311.2 0.5 + 4 e 244 148 etot -7.2029E+01 mv 6 1 32 183 0 c 32 380.1 2.0 + 4 e 155 150 etot -7.5305E+01 mv 6 1 32 4 0 c 32 234.9 3.3 + 4 e 393 138 etot -5.9191E+01 mv 6 1 166 110 0 c 110 600.9 1.5 + 4 e 279 145 etot -6.9427E+01 mv 6 1 32 105 0 + 4 e 286 149 etot -5.4472E+01 mv 6 1 32 63 0 f 141 971.9 1.0 + 4 e 405 131 etot -6.6998E+01 mv 6 1 166 95 0 c 137 472.0 1.2 + 4 e 282 156 etot -6.7325E+01 mv 6 1 66 32 0 c 185 566.4 0.7 + 4 e 437 144 etot -6.0523E+01 mv 6 1 32 134 0 + 4 e 523 139 etot -6.7086E+01 mv 6 1 166 88 0 + 4 e 639 107 etot -6.6293E+01 mv 6 1 62 147 0 f 123 660.4 12.4 + 4 e 439 141 etot -6.2497E+01 mv 6 1 32 27 0 + 4 e 259 161 etot -7.5686E+01 mv 6 1 172 158 0 c 172 106.6 2.9 + 4 e 379 153 etot -5.7266E+01 mv 6 1 66 193 0 c 193 214.3 3.1 + -1 e 1 183 etot 1.3528E+20 mv 6 1 21 30 0 + 4 e 273 162 etot -6.6604E+01 mv 6 1 172 84 0 + 4 e 714 130 etot -6.2818E+01 mv 6 1 14 149 0 f 122 757.0 8.8 + 4 e 456 151 etot -6.1148E+01 mv 6 1 66 190 0 + 4 e 314 154 etot -5.6270E+01 mv 6 1 66 104 0 + 4 e 282 158 etot -5.0852E+01 mv 6 1 66 138 0 + 4 e 388 159 etot -7.6655E+01 mv 6 1 66 21 0 c 66 430.0 1.7 + 4 e 471 155 etot -7.4540E+01 mv 6 1 66 146 0 + 4 e 533 147 etot -6.4506E+01 mv 6 1 32 85 0 f 121 660.3 10.5 + 4 e 198 178 etot -5.5876E+01 mv 6 1 184 111 0 c 111 18.6 0.4 + 4 e 270 175 etot -6.9620E+01 mv 6 1 184 72 0 + 4 e 286 166 etot -7.1667E+01 mv 6 1 172 174 0 + 4 e 213 181 etot -5.9337E+01 mv 6 1 21 111 0 c 111 447.0 3.5 + 4 e 383 169 etot -6.2380E+01 mv 6 1 172 175 0 + 4 e 327 174 etot -6.6515E+01 mv 6 1 184 94 0 + 4 e 237 172 etot -6.7661E+01 mv 6 1 184 46 0 + 4 e 316 157 etot -7.6108E+01 mv 6 1 66 88 0 + 4 e 240 179 etot -6.3464E+01 mv 6 1 184 11 0 + 4 e 159 180 etot -6.6369E+01 mv 6 1 184 115 0 f 120 666.8 12.3 + 4 e 269 177 etot -6.9052E+01 mv 6 1 184 33 0 + 4 e 243 184 etot -6.3355E+01 mv 6 1 21 105 0 + 4 e 526 160 etot -6.3124E+01 mv 6 1 66 93 0 + 8 e 68 194 etot -6.3997E+01 mv 6 1 36 158 0 + 4 e 442 152 etot -7.6570E+01 mv 6 1 66 23 0 + 4 e 451 170 etot -7.8473E+01 mv 6 1 172 135 0 c 66 332.7 1.8 + 4 e 248 186 etot -5.4555E+01 mv 6 1 21 56 0 + -1 e 1 209 etot 1.3528E+20 mv 2 1 5 -60 0 + 4 e 372 163 etot -6.7115E+01 mv 6 1 172 141 0 + 4 e 363 167 etot -5.6547E+01 mv 6 1 172 149 0 + 4 e 183 191 etot -5.4663E+01 mv 6 1 36 122 0 f 154 659.5 0.5 + 4 e 171 193 etot -6.8591E+01 mv 6 1 36 3 0 + 4 e 491 173 etot -6.9592E+01 mv 6 1 184 103 0 c 103 493.7 3.9 + 4 e 186 189 etot -5.0649E+01 mv 6 1 21 56 0 + 4 e 528 171 etot -5.9444E+01 mv 6 1 184 131 0 f 118 761.5 5.2 + 4 e 396 185 etot -6.8221E+01 mv 6 1 21 33 0 + -1 e 1 218 etot 1.3528E+20 mv 2 1 127 -60 0 + 4 e 423 182 etot -6.6024E+01 mv 6 1 21 37 0 c 116 619.5 2.2 + 4 e 253 196 etot -7.2021E+01 mv 6 1 36 4 0 + 4 e 491 164 etot -6.8889E+01 mv 6 1 172 164 0 + 4 e 290 201 etot -5.5112E+01 mv 2 1 182 -32 0 + 4 e 195 213 etot -6.7329E+01 mv 2 1 43 -13 0 + 4 e 340 198 etot -5.2973E+01 mv 6 1 36 114 0 + 4 e 132 216 etot -7.6898E+01 mv 2 1 127 -62 0 + 4 e 391 197 etot -6.5595E+01 mv 6 1 36 156 0 + 4 e 142 221 etot -7.4915E+01 mv 2 1 200 -33 0 + 4 e 359 206 etot -7.8329E+01 mv 2 1 5 -172 0 + 8 e 482 192 etot -6.3987E+01 mv 6 1 36 120 0 + 4 e 418 188 etot -6.8792E+01 mv 6 1 21 92 0 c 21 7.4 0.1 + 4 e 437 204 etot -6.6764E+01 mv 2 1 182 -19 0 f 124 760.2 12.3 + 4 e 473 203 etot -6.0180E+01 mv 2 1 182 -83 0 + 4 e 305 217 etot -6.1415E+01 mv 2 1 127 -108 0 + 4 e 620 187 etot -7.7448E+01 mv 6 1 21 87 0 c 21 541.6 8.7 + 4 e 351 214 etot -6.1300E+01 mv 2 1 43 -195 0 + 4 e 558 168 etot -7.3750E+01 mv 6 1 172 30 0 + 4 e 365 199 etot -6.3185E+01 mv 6 1 36 187 0 + 4 e 315 219 etot -7.8476E+01 mv 2 1 127 -140 0 + 4 e 499 205 etot -6.8096E+01 mv 2 1 182 -37 0 c 124 355.8 1.3 + -1 e 1 240 etot 1.3528E+20 mv 2 1 26 -129 0 + 4 e 308 211 etot -7.1473E+01 mv 2 1 43 -143 0 + 4 e 577 176 etot -6.6940E+01 mv 6 1 184 86 0 f 141 723.7 12.5 + 4 e 490 208 etot -7.5577E+01 mv 2 1 5 -12 0 f 149 749.7 21.0 + -1 e 1 244 etot 1.3528E+20 mv 2 1 7 -118 0 + 4 e 451 215 etot -6.4027E+01 mv 2 1 43 -126 0 + 4 e 255 227 etot -6.2393E+01 mv 2 1 135 -148 0 c 132 602.4 6.4 + 4 e 149 235 etot -5.6400E+01 mv 2 1 4 -17 0 + 4 e 331 223 etot -6.3670E+01 mv 2 1 200 -76 0 f 154 697.1 9.0 + 4 e 306 224 etot -7.5217E+01 mv 2 1 200 -60 0 c 154 522.9 11.5 + 4 e 182 232 etot -6.1414E+01 mv 2 1 4 -164 0 f 114 721.4 6.5 + 4 e 750 190 etot -6.5794E+01 mv 6 1 21 193 0 f 167 877.7 10.7 + 4 e 443 202 etot -5.9373E+01 mv 2 1 182 -4 0 f 150 777.2 4.0 + -1 e 1 253 etot 1.3528E+20 mv 2 1 62 -91 0 + -1 e 1 254 etot 1.3528E+20 mv 2 1 62 -72 0 + 4 e 419 200 etot -7.1877E+01 mv 6 1 36 190 0 c 36 450.1 3.2 + 4 e 326 225 etot -7.3955E+01 mv 2 1 200 -197 0 + 4 e 265 226 etot -6.5811E+01 mv 2 1 135 -196 0 + -1 e 1 258 etot 1.3528E+20 mv 2 1 171 -79 0 + 4 e 178 231 etot -7.2161E+01 mv 2 1 4 -33 0 + 4 e 152 246 etot -7.1199E+01 mv 2 1 9 -59 0 + 4 e 656 210 etot -7.9140E+01 mv 2 1 5 -148 0 c 5 561.3 0.6 + 4 e 237 239 etot -7.0245E+01 mv 2 1 26 -60 0 + 4 e 164 238 etot -7.2046E+01 mv 2 1 26 -99 0 + 4 e 456 212 etot -7.3870E+01 mv 2 1 43 -193 0 + 4 e 165 242 etot -5.3793E+01 mv 2 1 7 -34 0 + 4 e 306 236 etot -6.8553E+01 mv 2 1 26 -199 0 + 4 e 251 245 etot -7.2168E+01 mv 2 1 7 -76 0 + 4 e 187 250 etot -7.2633E+01 mv 2 1 9 -103 0 + 4 e 290 241 etot -7.2259E+01 mv 2 1 7 -117 0 + 4 e 597 195 etot -6.6887E+01 mv 6 1 36 97 0 f 108 717.0 11.2 + 4 e 380 222 etot -7.7923E+01 mv 2 1 200 -5 0 c 154 482.3 2.7 + 4 e 374 234 etot -6.4201E+01 mv 2 1 4 -184 0 + 4 e 404 233 etot -6.9944E+01 mv 2 1 4 -160 0 + 4 e 142 256 etot -7.0634E+01 mv 2 1 171 -29 0 c 171 3.3 0.0 + 4 e 683 220 etot -7.2373E+01 mv 2 1 127 -50 0 + 4 e 281 251 etot -7.1177E+01 mv 2 1 62 -78 0 + 4 e 591 207 etot -5.5297E+01 mv 2 1 5 -179 0 + 4 e 564 228 etot -7.3752E+01 mv 2 1 135 -73 0 + 4 e 555 230 etot -6.7969E+01 mv 2 1 135 -106 0 + 4 e 281 243 etot -6.4753E+01 mv 2 1 7 -66 0 + 4 e 337 237 etot -8.0036E+01 mv 2 1 26 -62 0 c 26 316.7 3.7 + 4 e 173 279 etot -5.8539E+01 mv 2 1 66 -158 0 + 4 e 214 277 etot -5.0983E+01 mv 2 1 66 -125 0 + 4 e 412 247 etot -7.5132E+01 mv 2 1 9 -196 0 c 9 436.9 2.5 + 4 e 310 263 etot -6.3838E+01 mv 2 1 14 -13 0 + 4 e 354 257 etot -5.9421E+01 mv 2 1 171 -59 0 + 4 e 589 229 etot -6.2919E+01 mv 2 1 135 -161 0 f 105 698.8 7.0 + 4 e 218 276 etot -7.4978E+01 mv 2 1 66 -23 0 c 12 537.6 4.5 + 4 e 340 270 etot -5.9844E+01 mv 2 1 166 -173 0 + 4 e 255 259 etot -4.9349E+01 mv 2 1 171 -193 0 + 4 e 238 260 etot -7.0633E+01 mv 2 1 171 -57 0 + 4 e 160 265 etot -7.0295E+01 mv 2 1 14 -121 0 + -1 e 1 287 etot 1.3528E+20 mv 2 1 184 -118 0 + 4 e 247 266 etot -7.0198E+01 mv 2 1 166 -172 0 + 4 e 158 271 etot -6.8293E+01 mv 2 1 32 -101 0 + 4 e 409 262 etot -5.4794E+01 mv 2 1 14 -160 0 + 4 e 564 249 etot -6.6508E+01 mv 2 1 9 -137 0 f 198 691.9 10.5 + 4 e 540 252 etot -7.2649E+01 mv 2 1 62 -18 0 + 4 e 388 255 etot -7.0140E+01 mv 2 1 62 -102 0 + -1 e 1 300 etot 1.3528E+20 mv 2 1 36 -11 0 + 4 e 248 280 etot -7.5631E+01 mv 2 1 66 -122 0 c 12 115.9 0.7 + 4 e 257 272 etot -7.0069E+01 mv 2 1 32 -59 0 + 4 e 124 285 etot -7.2747E+01 mv 2 1 172 -170 0 + 4 e 430 274 etot -6.1819E+01 mv 2 1 32 -106 0 + 4 e 513 267 etot -6.1395E+01 mv 2 1 166 -167 0 + 4 e 702 248 etot -7.5313E+01 mv 2 1 9 -196 0 + 4 e 186 294 etot -5.6741E+01 mv 2 1 21 -140 0 + 4 e 275 278 etot -7.5293E+01 mv 2 1 66 -16 0 + 4 e 180 290 etot -6.9651E+01 mv 2 1 184 -193 0 c 184 1.7 0.0 + 4 e 654 261 etot -7.0431E+01 mv 2 1 14 -55 0 c 82 566.0 9.4 + 4 e 347 275 etot -7.4364E+01 mv 2 1 32 -43 0 + 4 e 242 286 etot -6.9144E+01 mv 2 1 184 -157 0 + 4 e 264 283 etot -6.9649E+01 mv 2 1 172 -139 0 + 4 e 611 268 etot -7.2784E+01 mv 2 1 166 -139 0 c 166 504.1 2.1 + 4 e 197 293 etot -6.5970E+01 mv 2 1 21 -113 0 f 174 807.4 9.9 + 4 e 244 298 etot -6.7794E+01 mv 2 1 36 -83 0 f 109 748.7 11.7 + 4 e 283 297 etot -7.2034E+01 mv 2 1 36 -199 0 c 60 585.9 1.5 + 4 e 300 289 etot -6.9773E+01 mv 2 1 184 -143 0 c 184 362.2 0.1 + 4 e 261 299 etot -6.8671E+01 mv 2 1 36 -95 0 + 4 e 619 273 etot -6.1525E+01 mv 2 1 32 -191 0 f 119 666.6 5.4 + 4 e 647 269 etot -7.3926E+01 mv 2 1 166 -173 0 c 166 385.6 1.1 + 4 e 245 296 etot -6.8646E+01 mv 2 1 36 -71 0 + 4 e 243 306 etot -7.3256E+01 mv 1 1 5 -78 0 + -1 e 1 324 etot 1.3528E+20 mv 1 1 200 -4 0 + 4 e 275 304 etot -4.8398E+01 mv 1 1 182 -183 0 + 4 e 219 310 etot -7.6838E+01 mv 1 1 5 -84 0 + 4 e 283 305 etot -4.8398E+01 mv 1 1 182 -146 0 + 4 e 356 302 etot -4.8165E+01 mv 1 1 182 -73 0 + 4 e 142 321 etot -7.4915E+01 mv 1 1 200 -93 0 + 4 e 467 284 etot -7.2120E+01 mv 2 1 172 -90 0 + 4 e 610 264 etot -6.5359E+01 mv 2 1 14 -91 0 f 100 752.0 9.0 + 4 e 250 313 etot -7.8461E+01 mv 1 1 43 -192 0 + 4 e 263 314 etot -7.8308E+01 mv 1 1 43 -160 0 + 4 e 260 315 etot -7.8460E+01 mv 1 1 43 -148 0 + 4 e 236 320 etot -7.6898E+01 mv 1 1 127 -157 0 + 4 e 371 308 etot -7.0932E+01 mv 1 1 5 -144 0 c 48 537.4 4.3 + 4 e 184 316 etot -7.6898E+01 mv 1 1 127 -66 0 + -1 e 1 336 etot 1.3528E+20 mv 1 1 26 -138 0 + 4 e 315 303 etot -5.5510E+01 mv 1 1 182 -191 0 + 4 e 302 311 etot -7.8195E+01 mv 1 1 43 -53 0 + 4 e 557 288 etot -6.7100E+01 mv 2 1 184 -176 0 + 4 e 383 295 etot -6.6457E+01 mv 2 1 21 -162 0 + 4 e 530 281 etot -7.3772E+01 mv 2 1 172 -106 0 + -1 e 1 344 etot 1.3528E+20 mv 1 1 7 -80 0 + 4 e 516 282 etot -7.2745E+01 mv 2 1 172 -10 0 + 4 e 442 291 etot -6.1452E+01 mv 2 1 21 -38 0 + 4 e 162 333 etot -7.2444E+01 mv 1 1 4 -184 0 + 4 e 284 326 etot -7.3284E+01 mv 1 1 135 -70 0 + 4 e 286 325 etot -7.5835E+01 mv 1 1 200 -75 0 + 4 e 312 312 etot -6.8573E+01 mv 1 1 43 -137 0 + 4 e 446 301 etot -5.5154E+01 mv 1 1 182 -54 0 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-193 0 + 4 e 247 343 etot -7.0914E+01 mv 1 1 7 -36 0 + 4 e 547 327 etot -7.1214E+01 mv 1 1 135 -111 0 + 4 e 384 342 etot -5.5635E+01 mv 1 1 7 -114 0 + 4 e 445 335 etot -6.8041E+01 mv 1 1 4 -197 0 + 4 e 640 318 etot -7.7502E+01 mv 1 1 127 -189 0 + 4 e 528 329 etot -6.9339E+01 mv 1 1 135 -134 0 + -1 e 1 378 etot 1.3528E+20 mv 1 1 66 -93 0 + 4 e 319 350 etot -7.2685E+01 mv 1 1 9 -118 0 + 4 e 294 354 etot -7.1095E+01 mv 1 1 62 -108 0 + 4 e 244 359 etot -7.1231E+01 mv 1 1 171 -182 0 c 171 53.5 0.6 + 4 e 285 347 etot -7.2441E+01 mv 1 1 9 -177 0 + 4 e 242 360 etot -7.0634E+01 mv 1 1 171 -111 0 + 4 e 253 351 etot -7.1177E+01 mv 1 1 62 -34 0 + 4 e 652 330 etot -5.6317E+01 mv 1 1 135 -117 0 + 4 e 412 349 etot -8.2358E+01 mv 1 1 9 -32 0 c 9 447.9 7.2 + 4 e 449 356 etot -7.1729E+01 mv 1 1 171 -88 0 c 171 295.5 0.5 + 4 e 229 376 etot -7.3099E+01 mv 1 1 66 -14 0 + -1 e 1 387 etot 1.3528E+20 mv 1 1 184 -168 0 + 4 e 289 368 etot -6.9083E+01 mv 1 1 166 -55 0 + 4 e 234 380 etot -7.4978E+01 mv 1 1 66 -195 0 + 4 e 199 375 etot -7.0490E+01 mv 1 1 32 -156 0 + 4 e 403 362 etot -6.9990E+01 mv 1 1 14 -156 0 + 4 e 375 355 etot -6.4910E+01 mv 1 1 62 -89 0 + 4 e 202 372 etot -7.2850E+01 mv 1 1 32 -31 0 c 121 497.7 8.3 + 4 e 328 352 etot -6.5793E+01 mv 1 1 62 -106 0 + 4 e 175 369 etot -5.8364E+01 mv 1 1 166 -102 0 + 4 e 303 361 etot -7.0295E+01 mv 1 1 14 -1 0 + 4 e 260 370 etot -6.1652E+01 mv 1 1 166 -90 0 + 4 e 336 377 etot -7.6910E+01 mv 1 1 66 -173 0 + 4 e 235 386 etot -6.9507E+01 mv 1 1 184 -14 0 + 4 e 366 358 etot -6.5863E+01 mv 1 1 171 -138 0 + 4 e 477 366 etot -7.0197E+01 mv 1 1 166 -85 0 + 4 e 475 367 etot -7.3909E+01 mv 1 1 166 -171 0 + 4 e 355 364 etot -7.0110E+01 mv 1 1 14 -144 0 + 4 e 298 373 etot -6.8996E+01 mv 1 1 32 -104 0 + 4 e 348 365 etot -6.8981E+01 mv 1 1 14 -193 0 + 4 e 309 384 etot -6.6049E+01 mv 1 1 172 -31 0 + 4 e 313 371 etot -6.9926E+01 mv 1 1 32 -109 0 + 4 e 553 363 etot -7.2698E+01 mv 1 1 14 -8 0 c 14 402.2 1.9 + 4 e 349 382 etot -6.3665E+01 mv 1 1 172 -185 0 f 173 651.4 7.2 + 4 e 221 385 etot -7.2746E+01 mv 1 1 172 -175 0 + 4 e 483 374 etot -6.3916E+01 mv 1 1 32 -175 0 + 4 e 112 401 etot -5.5155E+01 mv 0 1 182 0 0 + 4 e 84 402 etot -7.5595E+01 mv 0 1 5 0 0 + 4 e 174 390 etot -6.9743E+01 mv 1 1 184 -133 0 + 4 e 397 381 etot -7.2746E+01 mv 1 1 172 -150 0 + 4 e 103 404 etot -7.6898E+01 mv 0 1 127 0 0 + 4 e 483 379 etot -7.4313E+01 mv 1 1 66 -97 0 +## N0 total= 18 close= 2 far= 0 %acc 11.1 +## N1 total= 98 close= 14 far= 2 %acc 16.3 +## N2 total= 100 close= 16 far= 12 %acc 28.0 +## N3 total= 0 close= 0 far= 0 %acc 0.0 +## N4 total= 0 close= 0 far= 0 %acc 0.0 +## N5 total= 0 close= 0 far= 0 %acc 0.0 +## N6 total= 204 close= 70 far= 23 %acc 45.6 +## N7 total= 0 close= 0 far= 0 %acc 0.0 +## N8 total= 0 close= 0 far= 0 %acc 0.0 +## N9 total= 0 close= 0 far= 0 %acc 0.0 +##N10 total= 0 close= 0 far= 0 %acc 0.0 +##N11 total= 0 close= 0 far= 0 %acc 0.0 +##N12 total= 0 close= 0 far= 0 %acc 0.0 +##N13 total= 0 close= 0 far= 0 %acc 0.0 +##N14 total= 0 close= 0 far= 0 %acc 0.0 +##N15 total= 0 close= 0 far= 0 %acc 0.0 +##N16 total= 0 close= 0 far= 0 %acc 0.0 +##N17 total= 0 close= 0 far= 0 %acc 0.0 +##N18 total= 0 close= 0 far= 0 %acc 0.0 + Time for refresh 2 0.46 + make_var : nseed= 20 ntry= 420 + Time for make trial 3 0.07 +Nonsetup time 6.35 sec, Eval/s = 62500.08 +Time for iter 3 2.17 sec, Eval/s = 60772.37 + UPDATING 420 + 4 e 109 409 etot -7.1684E+01 mv 0 1 7 0 0 + 4 e 352 388 etot -6.1946E+01 mv 1 1 184 -149 0 + 4 e 627 389 etot -7.1727E+01 mv 1 1 184 -8 0 + 4 e 92 417 etot -7.2747E+01 mv 0 1 172 0 0 + 4 e 114 416 etot -7.4979E+01 mv 0 1 66 0 0 + 4 e 238 391 etot -6.8716E+01 mv 1 1 21 -108 0 c 102 341.2 1.4 + 4 e 168 419 etot -6.8716E+01 mv 0 1 21 0 0 c 102 0.8 0.0 + 4 e 116 411 etot -7.1177E+01 mv 0 1 62 0 0 c 62 2.2 0.0 + 4 e 604 392 etot -6.4610E+01 mv 1 1 21 -5 0 + 4 e 228 393 etot -5.8246E+01 mv 1 1 21 -199 0 + 4 e 55 420 etot -6.8647E+01 mv 0 1 36 0 0 + 4 e 107 405 etot -7.4915E+01 mv 0 1 200 0 0 + 4 e 120 418 etot -6.9651E+01 mv 0 1 184 0 0 + 4 e 459 394 etot -6.6608E+01 mv 1 1 21 -131 0 + 4 e 82 412 etot -7.0634E+01 mv 0 1 171 0 0 + 4 e 244 395 etot -6.8716E+01 mv 1 1 21 -91 0 + 4 e 488 396 etot -6.6638E+01 mv 1 1 36 -53 0 + 4 e 138 414 etot -7.0198E+01 mv 0 1 166 0 0 + 4 e 152 415 etot -6.9927E+01 mv 0 1 32 0 0 + 4 e 120 403 etot -7.8461E+01 mv 0 1 43 0 0 + 4 e 314 400 etot -6.8804E+01 mv 1 1 36 -20 0 + 4 e 142 413 etot -7.0296E+01 mv 0 1 14 0 0 + 4 e 464 357 etot -7.0632E+01 mv 1 1 171 -151 0 + 4 e 334 397 etot -5.5291E+01 mv 1 1 36 -114 0 + 4 e 361 383 etot -6.9152E+01 mv 1 1 172 -180 0 + 4 e 220 398 etot -6.8267E+01 mv 1 1 36 -130 0 f 104 621.0 11.7 + 4 e 192 406 etot -7.3284E+01 mv 0 1 135 0 0 + 4 e 64 410 etot -7.1199E+01 mv 0 1 9 0 0 c 198 556.0 4.7 + 4 e 140 407 etot -7.2161E+01 mv 0 1 4 0 0 + 4 e 116 408 etot -7.2046E+01 mv 0 1 26 0 0 + 4 e 493 399 etot -6.6012E+01 mv 1 1 36 -68 0 + 8 e 19 29 etot -6.3998E+01 mv 6 2 43 125 0 + 4 e 124 3 etot -6.1522E+01 mv 6 2 200 192 0 + 4 e 127 15 etot -6.3103E+01 mv 6 2 127 147 0 c 147 596.7 1.9 + 4 e 145 11 etot -6.0833E+01 mv 6 2 127 40 0 + 4 e 155 5 etot -7.6656E+01 mv 6 2 200 150 0 + 4 e 157 28 etot -7.6811E+01 mv 6 2 43 154 0 + 8 e 161 17 etot -6.3998E+01 mv 6 2 127 58 0 f 99 618.5 7.1 + -1 e 1 38 etot 3.2192E+27 mv 6 2 131 159 0 + 4 e 150 32 etot -6.0602E+01 mv 6 2 131 78 0 + 4 e 187 1 etot -7.7498E+01 mv 6 2 200 42 0 c 200 376.6 0.7 + 4 e 186 9 etot -7.6656E+01 mv 6 2 200 191 0 + 4 e 226 2 etot -6.9569E+01 mv 6 2 200 192 0 c 191 579.1 2.8 + 4 e 197 18 etot -7.7525E+01 mv 6 2 127 12 0 + 4 e 200 12 etot -5.9766E+01 mv 6 2 127 147 0 f 148 868.4 2.8 + 4 e 233 8 etot -6.3220E+01 mv 6 2 200 50 0 c 50 2.6 0.0 + -1 e 1 46 etot 1.3528E+20 mv 6 2 33 120 0 + -1 e 1 47 etot 1.3528E+20 mv 6 2 33 57 0 + 4 e 204 4 etot -6.0060E+01 mv 6 2 200 31 0 f 97 641.5 3.0 + 4 e 109 35 etot -6.0179E+01 mv 6 2 131 54 0 f 96 629.7 3.0 + 4 e 267 14 etot -5.6163E+01 mv 6 2 127 150 0 + 4 e 132 41 etot -6.4571E+01 mv 6 2 33 178 0 + 4 e 257 10 etot -7.5539E+01 mv 6 2 200 155 0 + 8 e 118 36 etot -6.3996E+01 mv 6 2 131 84 0 + 4 e 235 30 etot -7.9801E+01 mv 6 2 43 3 0 + 4 e 301 16 etot -7.0589E+01 mv 6 2 127 67 0 + 4 e 327 27 etot -6.5728E+01 mv 6 2 43 46 0 c 46 221.4 2.1 + 4 e 306 33 etot -6.8439E+01 mv 6 2 131 24 0 f 95 660.7 11.2 + -1 e 1 58 etot 1.3528E+20 mv 6 2 135 64 0 + 4 e 175 23 etot -8.0001E+01 mv 6 2 43 51 0 c 43 2.1 0.0 + 4 e 122 48 etot -6.3933E+01 mv 6 2 33 44 0 c 44 2.2 0.0 + 4 e 352 19 etot -6.5799E+01 mv 6 2 127 116 0 + -1 e 1 62 etot 1.3528E+20 mv 6 2 47 193 0 + 4 e 387 31 etot -7.1769E+01 mv 6 2 131 181 0 + 4 e 283 43 etot -6.9038E+01 mv 6 2 33 55 0 + 4 e 341 25 etot -7.9032E+01 mv 6 2 43 130 0 + -1 e 1 66 etot 1.3528E+20 mv 6 2 47 146 0 + 4 e 396 13 etot -7.2762E+01 mv 6 2 127 10 0 c 10 250.8 1.7 + 4 e 211 52 etot -6.8919E+01 mv 6 2 135 198 0 + 4 e 246 44 etot -7.1530E+01 mv 6 2 33 123 0 + 4 e 438 6 etot -7.4705E+01 mv 6 2 200 45 0 c 3 495.4 1.4 + 4 e 471 26 etot -7.8613E+01 mv 6 2 43 74 0 c 138 465.3 7.7 + 4 e 464 24 etot -7.1301E+01 mv 6 2 43 29 0 f 155 651.4 14.1 + 4 e 240 50 etot -7.1443E+01 mv 6 2 33 166 0 + 4 e 247 21 etot -7.9552E+01 mv 6 2 43 86 0 + 4 e 254 20 etot -7.8106E+01 mv 6 2 127 160 0 + 4 e 144 70 etot -6.7819E+01 mv 6 2 47 183 0 c 183 180.5 0.2 + 4 e 319 51 etot -6.6593E+01 mv 6 2 135 39 0 + 4 e 511 7 etot -7.6270E+01 mv 6 2 200 192 0 + 4 e 202 57 etot -6.2964E+01 mv 6 2 135 197 0 + 4 e 192 69 etot -7.7076E+01 mv 6 2 47 26 0 c 47 245.7 3.0 + 4 e 308 59 etot -7.4123E+01 mv 6 2 135 25 0 + 4 e 371 39 etot -6.7628E+01 mv 6 2 131 25 0 + -1 e 1 83 etot 1.3528E+20 mv 6 2 172 106 0 + 4 e 415 37 etot -7.3321E+01 mv 6 2 131 43 0 + 4 e 248 61 etot -6.5367E+01 mv 6 2 47 169 0 + 4 e 354 53 etot -7.1913E+01 mv 6 2 135 181 0 + 4 e 466 56 etot -7.4640E+01 mv 6 2 135 21 0 c 135 81.8 0.0 + 4 e 169 74 etot -6.3272E+01 mv 6 2 5 128 0 + 4 e 327 68 etot -5.8793E+01 mv 6 2 47 29 0 f 193 808.5 1.5 + 4 e 178 81 etot -6.3818E+01 mv 6 2 172 52 0 + 4 e 541 45 etot -7.7822E+01 mv 6 2 33 136 0 c 33 321.2 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4 e 340 374 etot -7.4892E+01 mv 1 2 199 -9 0 + 4 e 592 334 etot -7.5381E+01 mv 1 2 47 -160 0 + 4 e 237 381 etot -7.0915E+01 mv 1 2 180 -51 0 + 4 e 424 366 etot -6.8022E+01 mv 1 2 171 -38 0 + 4 e 414 370 etot -6.4604E+01 mv 1 2 171 -84 0 + 4 e 371 377 etot -6.2557E+01 mv 1 2 73 -79 0 f 128 642.7 2.8 + 4 e 466 367 etot -6.5941E+01 mv 1 2 171 -101 0 + 4 e 674 328 etot -7.5930E+01 mv 1 2 135 -115 0 c 105 264.5 0.8 + 4 e 413 355 etot -7.3978E+01 mv 1 2 166 -168 0 + 4 e 159 395 etot -7.5349E+01 mv 1 2 32 -41 0 + 4 e 217 380 etot -7.1403E+01 mv 1 2 73 -154 0 + 4 e 265 385 etot -7.0915E+01 mv 1 2 180 -77 0 + 4 e 64 402 etot -7.9395E+01 mv 0 2 127 0 0 c 127 0.6 0.0 + 4 e 231 390 etot -7.5545E+01 mv 1 2 11 -140 0 + 4 e 96 401 etot -7.6827E+01 mv 0 2 200 0 0 + 4 e 283 386 etot -7.6322E+01 mv 1 2 11 -112 0 + 4 e 112 403 etot -8.0001E+01 mv 0 2 43 0 0 + 4 e 297 388 etot -7.1892E+01 mv 1 2 11 -105 0 + 4 e 464 378 etot -7.0090E+01 mv 1 2 73 -114 0 c 128 514.6 7.5 + 4 e 127 404 etot -7.6562E+01 mv 0 2 131 0 0 +## N0 total= 21 close= 4 far= 0 %acc 19.0 +## N1 total= 99 close= 12 far= 2 %acc 14.1 +## N2 total= 100 close= 19 far= 10 %acc 29.0 +## N3 total= 0 close= 0 far= 0 %acc 0.0 +## N4 total= 0 close= 0 far= 0 %acc 0.0 +## N5 total= 0 close= 0 far= 0 %acc 0.0 +## N6 total= 200 close= 53 far= 25 %acc 39.0 +## N7 total= 0 close= 0 far= 0 %acc 0.0 +## N8 total= 0 close= 0 far= 0 %acc 0.0 +## N9 total= 0 close= 0 far= 0 %acc 0.0 +##N10 total= 0 close= 0 far= 0 %acc 0.0 +##N11 total= 0 close= 0 far= 0 %acc 0.0 +##N12 total= 0 close= 0 far= 0 %acc 0.0 +##N13 total= 0 close= 0 far= 0 %acc 0.0 +##N14 total= 0 close= 0 far= 0 %acc 0.0 +##N15 total= 0 close= 0 far= 0 %acc 0.0 +##N16 total= 0 close= 0 far= 0 %acc 0.0 +##N17 total= 0 close= 0 far= 0 %acc 0.0 +##N18 total= 0 close= 0 far= 0 %acc 0.0 + Time for refresh 3 0.26 + make_var : nseed= 20 ntry= 420 + Time for make trial 4 0.06 +Nonsetup time 8.22 sec, Eval/s = 63741.69 +Time for iter 4 1.88 sec, Eval/s = 67945.07 + UPDATING 420 + 4 e 174 417 etot -7.0915E+01 mv 0 2 180 0 0 + 4 e 148 407 etot -7.4099E+01 mv 0 2 47 0 0 + 4 e 467 383 etot -6.7535E+01 mv 1 2 180 -56 0 c 118 462.7 2.8 + 4 e 151 412 etot -7.2702E+01 mv 0 2 14 0 0 + 4 e 217 405 etot -7.7549E+01 mv 0 2 33 0 0 + 4 e 114 414 etot -7.1731E+01 mv 0 2 171 0 0 + 4 e 292 393 etot -7.5304E+01 mv 1 2 32 -169 0 + 4 e 563 400 etot -7.1385E+01 mv 1 2 68 -111 0 + 4 e 126 406 etot -7.4600E+01 mv 0 2 135 0 0 + 4 e 737 379 etot -7.6780E+01 mv 1 2 73 -9 0 c 73 335.0 3.9 + 4 e 457 391 etot -7.3130E+01 mv 1 2 32 -45 0 + 4 e 136 420 etot -7.1034E+01 mv 0 2 68 0 0 + 4 e 152 415 etot -7.1702E+01 mv 0 2 199 0 0 + 4 e 95 419 etot -7.5305E+01 mv 0 2 32 0 0 + 4 e 427 392 etot -7.6303E+01 mv 1 2 32 -129 0 + 4 e 192 416 etot -7.1403E+01 mv 0 2 73 0 0 + 4 e 314 399 etot -7.1002E+01 mv 1 2 68 -164 0 + 4 e 96 418 etot -7.5546E+01 mv 0 2 11 0 0 + 4 e 110 410 etot -7.5632E+01 mv 0 2 12 0 0 + 4 e 486 382 etot -6.3799E+01 mv 1 2 180 -131 0 c 187 457.9 3.3 + 4 e 243 396 etot -7.1034E+01 mv 1 2 68 -114 0 + -1 e 1 14 etot 1.3528E+20 mv 6 3 43 163 0 + 4 e 234 413 etot -7.2152E+01 mv 0 2 17 0 0 + 4 e 300 387 etot -6.8946E+01 mv 1 2 11 -126 0 f 106 680.1 9.1 + 4 e 487 394 etot -7.4743E+01 mv 1 2 32 -91 0 + 4 e 158 408 etot -7.9142E+01 mv 0 2 5 0 0 + 4 e 434 362 etot -6.8613E+01 mv 1 2 17 -96 0 c 159 407.2 2.7 + 4 e 498 397 etot -7.2865E+01 mv 1 2 68 -78 0 + 4 e 106 409 etot -7.5687E+01 mv 0 2 172 0 0 + 4 e 313 398 etot -7.0426E+01 mv 1 2 68 -176 0 + 4 e 237 384 etot -7.0571E+01 mv 1 2 180 -160 0 + 4 e 78 411 etot -7.3927E+01 mv 0 2 166 0 0 + 4 e 38 13 etot -6.0180E+01 mv 6 3 43 96 0 c 96 0.9 0.0 + 4 e 195 9 etot -6.7334E+01 mv 6 3 195 132 0 c 132 280.7 4.9 + 4 e 183 30 etot -6.6817E+01 mv 6 3 84 158 0 + 4 e 214 4 etot -5.4735E+01 mv 6 3 195 25 0 + 4 e 204 10 etot -6.5807E+01 mv 6 3 195 166 0 c 195 428.8 5.0 + 4 e 206 7 etot -7.6136E+01 mv 6 3 195 37 0 c 37 270.9 5.1 + 4 e 218 20 etot -8.1610E+01 mv 6 3 43 92 0 c 43 225.5 1.2 + 4 e 216 16 etot -7.7200E+01 mv 6 3 43 148 0 + 4 e 252 15 etot -7.3354E+01 mv 6 3 43 48 0 c 48 405.8 0.8 + -1 e 1 41 etot 1.3528E+20 mv 6 3 131 148 0 + 8 e 265 2 etot -6.3998E+01 mv 6 3 195 145 0 f 140 604.9 4.0 + 4 e 249 21 etot -8.0831E+01 mv 6 3 84 86 0 c 84 31.2 1.0 + 4 e 273 3 etot -6.4673E+01 mv 6 3 195 91 0 c 173 404.4 1.0 + 4 e 249 25 etot -7.8423E+01 mv 6 3 84 114 0 + 4 e 279 31 etot -6.9171E+01 mv 6 3 142 186 0 + 4 e 279 22 etot -7.8544E+01 mv 6 3 84 59 0 + 4 e 264 19 etot -6.7516E+01 mv 6 3 43 141 0 + -1 e 1 49 etot 1.3528E+20 mv 6 3 131 37 0 + 4 e 300 24 etot -7.9596E+01 mv 6 3 84 145 0 + 4 e 306 27 etot -7.8234E+01 mv 6 3 84 179 0 + 4 e 365 1 etot -7.1276E+01 mv 6 3 195 80 0 c 81 437.7 9.0 + 4 e 294 32 etot -6.3081E+01 mv 6 3 142 62 0 + 4 e 326 23 etot -6.9498E+01 mv 6 3 84 188 0 + 4 e 342 18 etot -8.0145E+01 mv 6 3 43 36 0 + 4 e 168 38 etot -6.3327E+01 mv 6 3 142 162 0 + 4 e 394 5 etot -6.0492E+01 mv 6 3 195 168 0 + 4 e 229 43 etot -6.8063E+01 mv 6 3 131 12 0 f 97 606.8 8.0 + 4 e 374 29 etot -7.8876E+01 mv 6 3 84 186 0 + -1 e 1 60 etot 1.3528E+20 mv 6 3 26 157 0 + -1 e 1 61 etot 1.3528E+20 mv 6 3 154 110 0 + 4 e 428 26 etot -8.0943E+01 mv 6 3 84 199 0 c 37 421.0 4.8 + 4 e 429 12 etot -7.0235E+01 mv 6 3 43 140 0 c 184 507.0 0.5 + 4 e 381 33 etot -8.0103E+01 mv 6 3 142 2 0 + 4 e 442 28 etot -8.5589E+01 mv 6 3 84 82 0 c 37 306.8 4.6 + 4 e 272 53 etot -7.7574E+01 mv 6 3 26 142 0 + 4 e 335 36 etot -6.9453E+01 mv 6 3 142 152 0 c 152 388.8 7.2 + 4 e 136 58 etot -8.0203E+01 mv 6 3 26 22 0 c 26 155.0 0.2 + 4 e 515 6 etot -7.6654E+01 mv 6 3 195 135 0 + 4 e 304 34 etot -6.9256E+01 mv 6 3 142 174 0 c 174 544.2 3.3 + 4 e 298 37 etot -7.7597E+01 mv 6 3 142 200 0 c 200 582.6 0.1 + 4 e 507 11 etot -7.2637E+01 mv 6 3 43 27 0 f 96 712.8 12.5 + 4 e 248 48 etot -7.0666E+01 mv 6 3 131 196 0 + 4 e 603 17 etot -7.1562E+01 mv 6 3 43 51 0 c 186 323.8 2.3 + 4 e 189 56 etot -7.9438E+01 mv 6 3 26 20 0 + 4 e 299 50 etot -7.8432E+01 mv 6 3 131 60 0 c 131 191.9 0.4 + 4 e 201 54 etot -7.3366E+01 mv 6 3 26 142 0 c 136 136.7 3.6 + 4 e 207 59 etot -7.6313E+01 mv 6 3 26 166 0 + 4 e 463 45 etot -7.1143E+01 mv 6 3 131 164 0 + 4 e 467 40 etot -6.3072E+01 mv 6 3 142 17 0 + 4 e 266 51 etot -8.0755E+01 mv 6 3 26 33 0 c 26 272.6 0.6 + 4 e 636 8 etot -6.4361E+01 mv 6 3 195 114 0 f 150 769.2 4.1 + 4 e 165 63 etot -7.6013E+01 mv 6 3 154 181 0 + 8 e 2 82 etot 4.0958E+03 mv 6 3 135 129 0 + 4 e 95 70 etot -7.1032E+01 mv 6 3 154 37 0 + 4 e 418 42 etot -6.4488E+01 mv 6 3 131 152 0 f 76 714.9 4.2 + 4 e 393 44 etot -5.4927E+01 mv 6 3 131 76 0 + 4 e 413 47 etot -6.3301E+01 mv 6 3 131 12 0 f 98 676.1 2.9 + -1 e 1 89 etot 1.3528E+20 mv 6 3 135 180 0 + 4 e 306 65 etot -7.7384E+01 mv 6 3 154 165 0 + 4 e 169 80 etot -7.1525E+01 mv 6 3 14 15 0 c 15 1.1 0.0 + 4 e 234 79 etot -6.6666E+01 mv 6 3 14 158 0 + 4 e 238 67 etot -7.7924E+01 mv 6 3 154 89 0 c 154 4.6 0.0 + 4 e 234 68 etot -7.3274E+01 mv 6 3 154 194 0 + 4 e 456 39 etot -7.7564E+01 mv 6 3 142 21 0 c 21 301.0 0.1 + 4 e 249 77 etot -7.5595E+01 mv 6 3 14 77 0 + 4 e 538 35 etot -7.6712E+01 mv 6 3 142 154 0 + 4 e 274 76 etot -7.6074E+01 mv 6 3 14 11 0 + 4 e 292 62 etot -7.0081E+01 mv 6 3 154 165 0 + 4 e 452 52 etot -7.4692E+01 mv 6 3 26 114 0 + 4 e 226 87 etot -6.6161E+01 mv 6 3 135 111 0 c 111 418.1 2.9 + 4 e 339 66 etot -7.1711E+01 mv 6 3 154 79 0 + 4 e 539 46 etot -7.8010E+01 mv 6 3 131 76 0 + 4 e 341 72 etot -6.8504E+01 mv 6 3 14 144 0 + 4 e 619 57 etot -7.7079E+01 mv 6 3 26 106 0 + 4 e 497 64 etot -7.9678E+01 mv 6 3 154 184 0 c 3 538.5 5.0 + 4 e 335 83 etot -7.4855E+01 mv 6 3 135 115 0 + 4 e 341 86 etot -7.4854E+01 mv 6 3 135 36 0 c 36 436.4 3.0 + 4 e 477 55 etot -7.6700E+01 mv 6 3 26 2 0 + 4 e 217 95 etot -7.2671E+01 mv 6 3 166 3 0 + 4 e 428 81 etot -7.4277E+01 mv 6 3 135 44 0 c 111 453.6 8.1 + 4 e 483 74 etot -7.3550E+01 mv 6 3 14 13 0 c 168 540.5 7.9 + 4 e 235 99 etot -7.7429E+01 mv 6 3 166 158 0 c 166 292.6 0.8 + 4 e 518 69 etot -8.1132E+01 mv 6 3 154 58 0 c 3 442.2 1.5 + 4 e 507 75 etot -7.7413E+01 mv 6 3 14 179 0 c 168 412.5 3.9 + 4 e 493 73 etot -6.4542E+01 mv 6 3 14 145 0 c 145 308.6 0.6 + 4 e 174 96 etot -7.6659E+01 mv 6 3 166 67 0 + 4 e 307 94 etot -7.2896E+01 mv 6 3 166 135 0 + 4 e 318 97 etot -6.9384E+01 mv 6 3 166 96 0 f 160 607.0 8.9 + 4 e 163 100 etot -6.1416E+01 mv 6 3 166 81 0 + 4 e 227 106 etot -6.8526E+01 mv 6 3 148 110 0 + 4 e 400 92 etot -7.8261E+01 mv 6 3 166 135 0 c 166 88.8 0.8 + 4 e 401 91 etot -7.2136E+01 mv 6 3 166 31 0 c 92 248.9 3.7 + 4 e 372 93 etot -6.4751E+01 mv 6 3 166 196 0 c 196 365.3 3.3 + 4 e 342 85 etot -6.8693E+01 mv 6 3 135 46 0 + 4 e 392 78 etot -7.7413E+01 mv 6 3 14 24 0 c 14 387.1 0.0 + -1 e 1 127 etot 5.2507E+23 mv 6 3 9 61 0 + 4 e 198 103 etot -6.6366E+01 mv 6 3 148 137 0 + 4 e 236 101 etot -7.5195E+01 mv 6 3 148 198 0 c 148 3.9 0.2 + 4 e 340 102 etot -6.5672E+01 mv 6 3 148 33 0 c 57 587.7 0.9 + 4 e 282 105 etot -7.7771E+01 mv 6 3 148 19 0 + 4 e 293 107 etot -7.5503E+01 mv 6 3 148 80 0 c 148 281.8 0.3 + 4 e 265 98 etot -6.8946E+01 mv 6 3 166 195 0 c 195 155.7 3.1 + 4 e 658 71 etot -7.6133E+01 mv 6 3 14 169 0 + 4 e 457 84 etot -6.0620E+01 mv 6 3 135 106 0 + 4 e 239 104 etot -6.4895E+01 mv 6 3 148 112 0 + 4 e 287 109 etot -7.6136E+01 mv 6 3 148 110 0 c 148 74.9 0.6 + 8 e 177 119 etot -6.3990E+01 mv 6 3 29 128 0 + 4 e 187 110 etot -6.9494E+01 mv 6 3 148 79 0 c 79 2.1 0.0 + 4 e 296 111 etot -7.1373E+01 mv 6 3 29 90 0 + 4 e 358 108 etot -7.2281E+01 mv 6 3 148 120 0 f 164 706.6 11.8 + 4 e 398 90 etot -7.3107E+01 mv 6 3 135 12 0 + 4 e 210 123 etot -8.2358E+01 mv 6 3 9 23 0 c 9 1.8 0.0 + -1 e 1 143 etot 1.3528E+20 mv 6 3 199 182 0 + -1 e 1 144 etot 1.3528E+20 mv 6 3 199 158 0 + -1 e 1 146 etot 1.3528E+20 mv 6 3 199 150 0 + 4 e 434 88 etot -6.2381E+01 mv 6 3 135 162 0 + -1 e 1 148 etot 2.2782E+26 mv 6 3 199 38 0 + 4 e 257 122 etot -6.2366E+01 mv 6 3 9 134 0 + 4 e 365 114 etot -7.4710E+01 mv 6 3 29 92 0 c 29 155.2 1.8 + -1 e 1 151 etot 1.3528E+20 mv 6 3 32 157 0 + -1 e 1 152 etot 1.3528E+20 mv 6 3 32 65 0 + 4 e 423 112 etot -6.8318E+01 mv 6 3 29 3 0 + 4 e 179 130 etot -6.6130E+01 mv 6 3 9 160 0 + 4 e 240 118 etot -6.6830E+01 mv 6 3 29 164 0 + 4 e 433 115 etot -7.1493E+01 mv 6 3 29 124 0 + 4 e 159 142 etot -6.6635E+01 mv 6 3 199 75 0 f 75 657.5 6.0 + 4 e 319 124 etot -6.7719E+01 mv 6 3 9 137 0 + 4 e 340 125 etot -7.3904E+01 mv 6 3 9 94 0 + 4 e 454 116 etot -7.2910E+01 mv 6 3 29 101 0 + 4 e 395 120 etot -6.8244E+01 mv 6 3 29 77 0 + 4 e 481 117 etot -7.2779E+01 mv 6 3 29 58 0 + -1 e 1 163 etot 2.9430E+22 mv 6 3 72 41 0 + 4 e 326 132 etot -8.0784E+01 mv 6 3 66 82 0 c 66 109.5 2.3 + 4 e 315 135 etot -8.0521E+01 mv 6 3 66 97 0 + 4 e 321 133 etot -8.0237E+01 mv 6 3 66 47 0 + 4 e 273 139 etot -7.3846E+01 mv 6 3 66 16 0 + 4 e 283 121 etot -7.8493E+01 mv 6 3 9 192 0 c 191 534.6 8.9 + 8 e 76 158 etot -6.3989E+01 mv 6 3 32 25 0 + 4 e 349 131 etot -8.1803E+01 mv 6 3 66 30 0 c 12 376.6 4.6 + 4 e 315 138 etot -8.0783E+01 mv 6 3 66 82 0 + 4 e 302 129 etot -6.6867E+01 mv 6 3 9 50 0 f 170 700.1 6.2 + 4 e 248 137 etot -7.3580E+01 mv 6 3 66 10 0 + 4 e 126 156 etot -5.6536E+01 mv 6 3 32 151 0 + 4 e 311 126 etot -6.4355E+01 mv 6 3 9 54 0 + 4 e 325 128 etot -6.9025E+01 mv 6 3 9 132 0 f 85 646.0 8.3 + 4 e 125 168 etot -6.2100E+01 mv 6 3 72 172 0 + 4 e 430 141 etot -6.9097E+01 mv 6 3 199 86 0 + 4 e 270 154 etot -7.4867E+01 mv 6 3 32 53 0 + 4 e 225 162 etot -7.3607E+01 mv 6 3 72 95 0 c 72 52.6 0.7 + 4 e 215 164 etot -7.2926E+01 mv 6 3 72 9 0 + -1 e 1 182 etot 1.3528E+20 mv 6 3 83 142 0 + 4 e 228 155 etot -7.2936E+01 mv 6 3 32 58 0 c 58 4.7 0.0 + -1 e 1 184 etot 1.3528E+20 mv 6 3 83 165 0 + 4 e 244 149 etot -7.0961E+01 mv 6 3 199 123 0 + 4 e 393 150 etot -7.3077E+01 mv 6 3 199 86 0 + 4 e 317 161 etot -5.9396E+01 mv 6 3 72 167 0 + 4 e 799 113 etot -7.2046E+01 mv 6 3 29 159 0 + 4 e 334 157 etot -7.5188E+01 mv 6 3 32 135 0 + 4 e 405 153 etot -7.7857E+01 mv 6 3 32 48 0 + 4 e 387 136 etot -7.1747E+01 mv 6 3 66 72 0 + 4 e 459 147 etot -6.1905E+01 mv 6 3 199 51 0 + 4 e 274 170 etot -6.0110E+01 mv 6 3 72 162 0 + 4 e 347 160 etot -7.4128E+01 mv 6 3 32 172 0 + 4 e 274 172 etot -6.4400E+01 mv 6 3 21 45 0 + 4 e 108 183 etot -7.2956E+01 mv 6 3 83 40 0 c 83 2.4 0.2 + 4 e 306 145 etot -7.5593E+01 mv 6 3 199 48 0 c 199 2.6 0.0 + 4 e 322 171 etot -8.1484E+01 mv 6 3 21 130 0 c 21 510.8 3.9 + 4 e 345 166 etot -7.4080E+01 mv 6 3 72 185 0 + 4 e 95 193 etot -6.7924E+01 mv 6 3 121 25 0 c 25 2.9 0.0 + 4 e 385 165 etot -6.3512E+01 mv 6 3 72 148 0 + 4 e 373 167 etot -7.0406E+01 mv 6 3 72 172 0 + 4 e 264 169 etot -6.6551E+01 mv 6 3 72 166 0 c 99 578.2 2.6 + 4 e 458 134 etot -7.2861E+01 mv 6 3 66 163 0 + 4 e 434 140 etot -5.8022E+01 mv 6 3 66 17 0 + 4 e 311 178 etot -6.6387E+01 mv 6 3 21 33 0 + 4 e 211 190 etot -6.1440E+01 mv 6 3 83 168 0 + 4 e 296 179 etot -7.9943E+01 mv 6 3 21 84 0 + 4 e 569 159 etot -7.2306E+01 mv 6 3 32 68 0 f 153 683.2 11.2 + 4 e 140 202 etot -5.8192E+01 mv 2 3 195 -76 0 + 4 e 272 189 etot -5.4506E+01 mv 6 3 83 75 0 + 4 e 263 188 etot -7.3754E+01 mv 6 3 83 32 0 + 8 e 2 213 etot -6.3997E+01 mv 2 3 84 -169 0 + 4 e 321 174 etot -6.3890E+01 mv 6 3 21 17 0 + 4 e 252 196 etot -6.7279E+01 mv 6 3 121 103 0 + 4 e 197 186 etot -6.9200E+01 mv 6 3 83 144 0 + 4 e 330 191 etot -7.6085E+01 mv 6 3 121 156 0 c 121 330.3 3.2 + 4 e 374 173 etot -7.0106E+01 mv 6 3 21 4 0 f 70 612.7 9.0 + 4 e 161 208 etot -6.4011E+01 mv 2 3 43 -134 0 + 4 e 337 177 etot -7.6180E+01 mv 6 3 21 79 0 + 4 e 170 209 etot -6.0692E+01 mv 2 3 43 -178 0 + 4 e 453 180 etot -6.5502E+01 mv 6 3 21 34 0 c 34 377.8 0.2 + 4 e 331 175 etot -7.0825E+01 mv 6 3 21 71 0 + 4 e 277 199 etot -7.5241E+01 mv 6 3 121 37 0 + 4 e 306 197 etot -6.7012E+01 mv 6 3 121 132 0 + 4 e 363 176 etot -7.0799E+01 mv 6 3 21 41 0 f 69 597.5 9.6 + 4 e 472 181 etot -6.6651E+01 mv 6 3 83 162 0 f 158 688.9 5.4 + 4 e 403 194 etot -6.8732E+01 mv 6 3 121 16 0 f 91 631.8 7.4 + 4 e 441 195 etot -6.5081E+01 mv 6 3 121 93 0 f 156 697.4 3.7 + 4 e 333 192 etot -7.1647E+01 mv 6 3 121 104 0 + 4 e 536 187 etot -7.4605E+01 mv 6 3 83 110 0 c 83 439.6 1.6 + 4 e 229 205 etot -5.5676E+01 mv 2 3 195 -165 0 + 4 e 432 203 etot -5.0355E+01 mv 2 3 195 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9.4 + 4 e 308 253 etot -5.6364E+01 mv 2 3 148 -116 0 + 4 e 339 249 etot -7.0914E+01 mv 2 3 166 -91 0 + 4 e 500 237 etot -6.2375E+01 mv 2 3 14 -99 0 f 119 660.5 0.8 + 4 e 323 255 etot -7.1271E+01 mv 2 3 148 -75 0 c 57 442.3 5.6 + 4 e 518 239 etot -7.0037E+01 mv 2 3 14 -154 0 + 4 e 344 254 etot -7.6802E+01 mv 2 3 148 -87 0 c 148 376.7 0.7 + -1 e 1 279 etot 1.3528E+20 mv 2 3 32 -16 0 + 8 e 44 275 etot -6.3986E+01 mv 2 3 199 -47 0 + 4 e 211 264 etot -8.3911E+01 mv 2 3 9 -95 0 c 9 262.5 1.6 + 4 e 396 250 etot -7.6657E+01 mv 2 3 166 -108 0 + 4 e 511 241 etot -6.7794E+01 mv 2 3 135 -94 0 + 4 e 264 263 etot -7.5641E+01 mv 2 3 9 -129 0 + 4 e 591 215 etot -7.8967E+01 mv 2 3 84 -190 0 + 4 e 212 261 etot -8.2358E+01 mv 2 3 9 -164 0 + 4 e 261 258 etot -6.5461E+01 mv 2 3 29 -169 0 + 4 e 585 217 etot -7.5059E+01 mv 2 3 142 -91 0 f 139 609.7 13.5 + 4 e 319 251 etot -6.7742E+01 mv 2 3 148 -154 0 + 4 e 558 243 etot -6.7794E+01 mv 2 3 135 -196 0 + 4 e 282 266 etot -6.7925E+01 mv 2 3 66 -169 0 + -1 e 1 292 etot 1.3528E+20 mv 2 3 83 -156 0 + 4 e 239 273 etot -5.7548E+01 mv 2 3 199 -170 0 + 4 e 186 278 etot -7.5890E+01 mv 2 3 32 -49 0 c 32 2.2 0.0 + 4 e 308 270 etot -7.8474E+01 mv 2 3 66 -142 0 + 4 e 195 280 etot -7.4957E+01 mv 2 3 32 -37 0 + 4 e 610 248 etot -7.7708E+01 mv 2 3 166 -128 0 + 4 e 466 245 etot -6.7936E+01 mv 2 3 135 -170 0 + 4 e 507 260 etot -6.7706E+01 mv 2 3 29 -16 0 + 4 e 285 267 etot -6.4383E+01 mv 2 3 66 -49 0 f 157 601.5 2.7 + 4 e 446 265 etot -7.2215E+01 mv 2 3 9 -144 0 + 4 e 326 277 etot -6.4648E+01 mv 2 3 32 -73 0 + 4 e 293 283 etot -6.3135E+01 mv 2 3 72 -68 0 + 4 e 312 281 etot -5.9975E+01 mv 2 3 72 -8 0 + 4 e 249 291 etot -7.2423E+01 mv 2 3 83 -18 0 + 4 e 422 274 etot -7.3432E+01 mv 2 3 199 -178 0 + 4 e 351 269 etot -6.5120E+01 mv 2 3 66 -137 0 + 4 e 455 276 etot -7.3870E+01 mv 2 3 32 -123 0 + 4 e 500 272 etot -7.6354E+01 mv 2 3 199 -182 0 c 199 331.2 0.8 + 4 e 230 297 etot -7.0122E+01 mv 2 3 121 -104 0 + 4 e 587 268 etot -6.7809E+01 mv 2 3 66 -185 0 c 157 448.1 3.4 + 4 e 266 286 etot -7.7450E+01 mv 2 3 21 -105 0 + 4 e 508 259 etot -7.2826E+01 mv 2 3 29 -155 0 + 4 e 473 282 etot -5.9928E+01 mv 2 3 72 -194 0 + 4 e 454 284 etot -5.5748E+01 mv 2 3 72 -189 0 + 4 e 319 294 etot -7.2701E+01 mv 2 3 83 -101 0 + 4 e 295 288 etot -6.5288E+01 mv 2 3 21 -17 0 + 4 e 222 305 etot -6.0760E+01 mv 1 3 195 -186 0 + 4 e 350 295 etot -6.7350E+01 mv 2 3 83 -35 0 + 4 e 249 303 etot -5.3953E+01 mv 1 3 195 -122 0 + -1 e 1 320 etot 1.3528E+20 mv 1 3 142 -7 0 + 4 e 245 304 etot -5.5892E+01 mv 1 3 195 -119 0 + 4 e 537 262 etot -8.6199E+01 mv 2 3 9 -2 0 c 191 486.9 7.7 + 4 e 247 306 etot -7.4061E+01 mv 1 3 43 -63 0 + 4 e 452 296 etot -7.1700E+01 mv 2 3 121 -178 0 + 4 e 243 309 etot -8.0406E+01 mv 1 3 43 -90 0 + 4 e 347 298 etot -6.5172E+01 mv 2 3 121 -94 0 f 64 673.6 3.5 + 8 e 205 317 etot -6.3993E+01 mv 1 3 142 -191 0 + 4 e 289 307 etot -6.0706E+01 mv 1 3 43 -141 0 + 4 e 196 315 etot -8.0831E+01 mv 1 3 84 -87 0 c 84 1.5 0.0 + 4 e 585 285 etot -7.4107E+01 mv 2 3 72 -178 0 c 72 446.6 0.5 + 4 e 467 293 etot -7.1053E+01 mv 2 3 83 -38 0 c 28 595.9 2.9 + 4 e 300 302 etot -6.0448E+01 mv 1 3 195 -99 0 + 4 e 186 316 etot -7.9242E+01 mv 1 3 142 -167 0 + 4 e 306 300 etot -7.8065E+01 mv 2 3 121 -61 0 c 121 215.4 2.0 + 4 e 317 289 etot -7.0552E+01 mv 2 3 21 -198 0 + 4 e 637 257 etot -6.2417E+01 mv 2 3 29 -193 0 f 63 728.2 0.6 + 4 e 223 299 etot -7.2880E+01 mv 2 3 121 -102 0 + 4 e 564 271 etot -7.5175E+01 mv 2 3 199 -89 0 c 169 364.7 2.7 + 4 e 270 311 etot -7.9294E+01 mv 1 3 84 -142 0 + 4 e 492 287 etot -6.0181E+01 mv 2 3 21 -172 0 + 4 e 251 319 etot -7.9117E+01 mv 1 3 142 -194 0 + 4 e 301 308 etot -7.9302E+01 mv 1 3 43 -38 0 + 4 e 513 290 etot -6.7102E+01 mv 2 3 21 -19 0 + 4 e 281 323 etot -7.7986E+01 mv 1 3 131 -139 0 + 4 e 126 326 etot -8.0037E+01 mv 1 3 26 -91 0 + 4 e 453 310 etot -7.6921E+01 mv 1 3 43 -187 0 f 86 645.1 14.8 + 4 e 447 312 etot -7.3263E+01 mv 1 3 84 -18 0 + 4 e 347 321 etot -7.8242E+01 mv 1 3 131 -155 0 + 4 e 210 330 etot -7.9541E+01 mv 1 3 26 -74 0 + 4 e 215 335 etot -7.7925E+01 mv 1 3 154 -24 0 + 4 e 216 334 etot -7.7925E+01 mv 1 3 154 -152 0 + 4 e 234 325 etot -7.7986E+01 mv 1 3 131 -94 0 + 4 e 239 341 etot -7.6886E+01 mv 1 3 135 -78 0 c 135 4.2 0.0 + 4 e 293 328 etot -7.6918E+01 mv 1 3 26 -134 0 c 22 437.6 1.7 + 4 e 381 314 etot -6.7577E+01 mv 1 3 84 -196 0 + -1 e 1 357 etot 3.4074E+20 mv 1 3 29 -166 0 + 4 e 204 340 etot -7.7385E+01 mv 1 3 14 -36 0 + 4 e 321 331 etot -7.7924E+01 mv 1 3 154 -119 0 + 4 e 178 348 etot -6.8127E+01 mv 1 3 166 -148 0 + 4 e 163 350 etot -7.6659E+01 mv 1 3 166 -145 0 + 4 e 372 318 etot -7.5763E+01 mv 1 3 142 -135 0 + 4 e 364 329 etot -7.9550E+01 mv 1 3 26 -38 0 + 4 e 388 327 etot -7.4132E+01 mv 1 3 26 -183 0 + -1 e 1 365 etot 1.3528E+20 mv 1 3 9 -72 0 + 4 e 194 351 etot -7.4567E+01 mv 1 3 148 -116 0 + 4 e 587 322 etot -7.6631E+01 mv 1 3 131 -139 0 + 4 e 465 313 etot -7.5363E+01 mv 1 3 84 -188 0 + 4 e 254 353 etot -6.6219E+01 mv 1 3 148 -176 0 c 114 238.0 2.1 + 4 e 453 333 etot -7.0876E+01 mv 1 3 154 -180 0 + 4 e 230 355 etot -7.4982E+01 mv 1 3 148 -91 0 + 4 e 660 301 etot -6.5562E+01 mv 1 3 195 -62 0 c 140 257.8 1.6 + 4 e 527 336 etot -6.9944E+01 mv 1 3 14 -54 0 + 4 e 318 342 etot -6.7185E+01 mv 1 3 135 -40 0 + 4 e 361 349 etot -7.6332E+01 mv 1 3 166 -74 0 + 4 e 304 354 etot -7.1648E+01 mv 1 3 148 -35 0 + 4 e 465 343 etot -7.5692E+01 mv 1 3 135 -121 0 + 4 e 581 332 etot -6.8167E+01 mv 1 3 154 -144 0 + 4 e 303 356 etot -7.1657E+01 mv 1 3 29 -8 0 + 4 e 415 339 etot -7.7349E+01 mv 1 3 14 -187 0 c 100 415.0 12.0 + 4 e 214 364 etot -8.1647E+01 mv 1 3 9 -56 0 + 4 e 253 361 etot -8.2357E+01 mv 1 3 9 -157 0 + 4 e 203 366 etot -7.7951E+01 mv 1 3 66 -38 0 + 4 e 420 352 etot -7.6685E+01 mv 1 3 148 -1 0 + 4 e 373 344 etot -7.6349E+01 mv 1 3 135 -152 0 + 4 e 320 360 etot -7.0465E+01 mv 1 3 29 -65 0 + -1 e 1 387 etot 3.2096E+24 mv 1 3 21 -87 0 + 4 e 242 359 etot -6.8432E+01 mv 1 3 29 -146 0 + 4 e 553 324 etot -8.0977E+01 mv 1 3 131 -195 0 c 131 464.8 2.5 + 4 e 208 363 etot -4.5390E+01 mv 1 3 9 -197 0 + 4 e 456 337 etot -7.1845E+01 mv 1 3 14 -44 0 + 4 e 323 362 etot -7.1444E+01 mv 1 3 9 -156 0 c 198 461.9 0.2 + -1 e 1 392 etot 1.3528E+20 mv 1 3 83 -175 0 + 4 e 222 371 etot -7.5373E+01 mv 1 3 199 -8 0 + 4 e 489 338 etot -7.5957E+01 mv 1 3 14 -21 0 + 4 e 174 376 etot -7.5890E+01 mv 1 3 32 -36 0 c 32 2.4 0.0 + 4 e 607 346 etot -7.6053E+01 mv 1 3 166 -86 0 c 160 315.7 6.7 + 4 e 215 372 etot -7.4794E+01 mv 1 3 199 -56 0 + 4 e 136 382 etot -6.6437E+01 mv 1 3 72 -119 0 c 98 474.2 2.3 + 4 e 381 368 etot -6.6283E+01 mv 1 3 66 -199 0 + 4 e 394 367 etot -7.5656E+01 mv 1 3 66 -192 0 + 4 e 172 388 etot -7.7530E+01 mv 1 3 21 -99 0 + 4 e 262 379 etot -7.5963E+01 mv 1 3 32 -166 0 + 4 e 174 381 etot -6.5787E+01 mv 1 3 72 -63 0 + 4 e 129 390 etot -7.7450E+01 mv 1 3 21 -6 0 + 4 e 209 385 etot -6.2396E+01 mv 1 3 72 -83 0 + 4 e 153 395 etot -7.2738E+01 mv 1 3 83 -10 0 c 28 294.8 1.7 + 4 e 157 389 etot -6.9458E+01 mv 1 3 21 -35 0 + 4 e 243 375 etot -7.5593E+01 mv 1 3 199 -168 0 + 4 e 93 402 etot -8.0407E+01 mv 0 3 43 0 0 + 4 e 107 401 etot -6.0761E+01 mv 0 3 195 0 0 + 4 e 423 358 etot -7.3052E+01 mv 1 3 29 -115 0 + 4 e 229 397 etot -6.6033E+01 mv 1 3 121 -52 0 + 4 e 346 380 etot -7.5889E+01 mv 1 3 32 -25 0 + 4 e 353 369 etot -7.7468E+01 mv 1 3 66 -44 0 + 4 e 97 407 etot -7.7925E+01 mv 0 3 154 0 0 c 154 0.4 0.0 + 4 e 489 370 etot -7.8472E+01 mv 1 3 66 -95 0 + 4 e 226 400 etot -7.2881E+01 mv 1 3 121 -35 0 + 4 e 178 396 etot -7.2881E+01 mv 1 3 121 -190 0 +## N0 total= 19 close= 1 far= 0 %acc 5.3 +## N1 total= 101 close= 16 far= 2 %acc 17.8 +## N2 total= 100 close= 16 far= 7 %acc 23.0 +## N3 total= 0 close= 0 far= 0 %acc 0.0 +## N4 total= 0 close= 0 far= 0 %acc 0.0 +## N5 total= 0 close= 0 far= 0 %acc 0.0 +## N6 total= 200 close= 58 far= 17 %acc 37.5 +## N7 total= 0 close= 0 far= 0 %acc 0.0 +## N8 total= 0 close= 0 far= 0 %acc 0.0 +## N9 total= 0 close= 0 far= 0 %acc 0.0 +##N10 total= 0 close= 0 far= 0 %acc 0.0 +##N11 total= 0 close= 0 far= 0 %acc 0.0 +##N12 total= 0 close= 0 far= 0 %acc 0.0 +##N13 total= 0 close= 0 far= 0 %acc 0.0 +##N14 total= 0 close= 0 far= 0 %acc 0.0 +##N15 total= 0 close= 0 far= 0 %acc 0.0 +##N16 total= 0 close= 0 far= 0 %acc 0.0 +##N17 total= 0 close= 0 far= 0 %acc 0.0 +##N18 total= 0 close= 0 far= 0 %acc 0.0 + Time for refresh 4 0.47 + make_var : nseed= 20 ntry= 420 + Time for make trial 5 0.04 +Nonsetup time 10.34 sec, Eval/s = 63285.12 +Time for iter 5 2.11 sec, Eval/s = 61508.61 + UPDATING 420 + 4 e 121 412 etot -7.2933E+01 mv 0 3 29 0 0 + 4 e 543 377 etot -6.5724E+01 mv 1 3 32 -111 0 + 9 e 315 347 etot -6.7615E+01 mv 1 3 166 -115 0 + 4 e 484 384 etot -6.4648E+01 mv 1 3 72 -62 0 + 4 e 545 378 etot -6.6127E+01 mv 1 3 32 -146 0 + 4 e 100 415 etot -7.5594E+01 mv 0 3 199 0 0 + 4 e 79 419 etot -7.2738E+01 mv 0 3 83 0 0 c 28 1.0 0.0 + 4 e 548 393 etot -7.3850E+01 mv 1 3 83 -147 0 c 28 207.2 1.1 + 4 e 130 411 etot -7.4982E+01 mv 0 3 148 0 0 + 4 e 581 399 etot -7.3135E+01 mv 1 3 121 -6 0 + 4 e 202 403 etot -7.9859E+01 mv 0 3 84 0 0 + 4 e 163 404 etot -7.9242E+01 mv 0 3 142 0 0 c 142 1.7 0.0 + 4 e 118 408 etot -7.7385E+01 mv 0 3 14 0 0 c 100 199.4 0.0 + 4 e 123 418 etot -7.7450E+01 mv 0 3 21 0 0 + 4 e 135 417 etot -7.2927E+01 mv 0 3 72 0 0 + 4 e 650 383 etot -7.3730E+01 mv 1 3 72 -196 0 + 4 e 501 374 etot -7.5592E+01 mv 1 3 199 -62 0 + 4 e 138 414 etot -7.8475E+01 mv 0 3 66 0 0 + 4 e 314 398 etot -7.5859E+01 mv 1 3 121 -5 0 + 4 e 79 413 etot -8.2358E+01 mv 0 3 9 0 0 + 4 e 416 394 etot -7.3851E+01 mv 1 3 83 -171 0 c 28 3.8 0.0 + 4 e 112 410 etot -7.6659E+01 mv 0 3 166 0 0 + 4 e 194 420 etot -7.2881E+01 mv 0 3 121 0 0 + 4 e 81 416 etot -7.5890E+01 mv 0 3 32 0 0 c 32 1.1 0.0 + 4 e 175 409 etot -7.6887E+01 mv 0 3 135 0 0 c 135 1.0 0.0 + 4 e 609 391 etot -7.7041E+01 mv 1 3 83 -146 0 c 28 332.0 3.2 + 4 e 129 405 etot -7.7986E+01 mv 0 3 131 0 0 + -1 e 1 20 etot 1.3528E+20 mv 6 4 12 165 0 + 4 e 231 386 etot -7.6744E+01 mv 1 3 21 -142 0 + 4 e 448 373 etot -7.2725E+01 mv 1 3 199 -73 0 + 4 e 121 406 etot 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etot -7.3880E+01 mv 1 4 169 -62 0 + 4 e 284 365 etot -6.5259E+01 mv 1 4 185 -199 0 + 4 e 234 373 etot -6.7358E+01 mv 1 4 169 -191 0 + 4 e 325 359 etot -7.5610E+01 mv 1 4 105 -193 0 + 4 e 205 384 etot -7.0976E+01 mv 1 4 14 -124 0 + 4 e 216 385 etot -7.7415E+01 mv 1 4 14 -157 0 c 14 4.2 0.0 + 4 e 304 376 etot -7.2408E+01 mv 1 4 36 -98 0 + 4 e 101 402 etot -8.1804E+01 mv 0 4 12 0 0 c 12 1.7 0.0 + 4 e 233 390 etot -7.9557E+01 mv 1 4 33 -161 0 + 4 e 87 403 etot -8.1610E+01 mv 0 4 43 0 0 c 43 2.2 0.0 + 4 e 308 381 etot -7.6850E+01 mv 1 4 14 -16 0 + 4 e 101 406 etot -8.0832E+01 mv 0 4 84 0 0 + 4 e 92 404 etot -7.8263E+01 mv 0 4 166 0 0 c 166 0.6 0.0 + 4 e 461 374 etot -7.2365E+01 mv 1 4 169 -122 0 + 4 e 295 387 etot -6.4873E+01 mv 1 4 33 -143 0 + 4 e 249 395 etot -6.7487E+01 mv 1 4 83 -131 0 + 4 e 113 407 etot -8.6201E+01 mv 0 4 191 0 0 + 4 e 288 391 etot -7.4077E+01 mv 1 4 83 -2 0 + 4 e 128 401 etot -7.5579E+01 mv 0 4 149 0 0 +## N0 total= 23 close= 8 far= 0 %acc 34.8 +## N1 total= 97 close= 19 far= 0 %acc 19.6 +## N2 total= 100 close= 8 far= 7 %acc 15.0 +## N3 total= 0 close= 0 far= 0 %acc 0.0 +## N4 total= 0 close= 0 far= 0 %acc 0.0 +## N5 total= 0 close= 0 far= 0 %acc 0.0 +## N6 total= 200 close= 50 far= 20 %acc 35.0 +## N7 total= 0 close= 0 far= 0 %acc 0.0 +## N8 total= 0 close= 0 far= 0 %acc 0.0 +## N9 total= 0 close= 0 far= 0 %acc 0.0 +##N10 total= 0 close= 0 far= 0 %acc 0.0 +##N11 total= 0 close= 0 far= 0 %acc 0.0 +##N12 total= 0 close= 0 far= 0 %acc 0.0 +##N13 total= 0 close= 0 far= 0 %acc 0.0 +##N14 total= 0 close= 0 far= 0 %acc 0.0 +##N15 total= 0 close= 0 far= 0 %acc 0.0 +##N16 total= 0 close= 0 far= 0 %acc 0.0 +##N17 total= 0 close= 0 far= 0 %acc 0.0 +##N18 total= 0 close= 0 far= 0 %acc 0.0 + Time for refresh 5 0.28 + make_var : nseed= 20 ntry= 420 + Time for make trial 6 0.07 +Nonsetup time 12.20 sec, Eval/s = 63942.80 +Time for iter 6 1.87 sec, Eval/s = 67583.46 + UPDATING 420 + 4 e 134 419 etot -7.4606E+01 mv 0 4 83 0 0 c 101 97.2 0.4 + 4 e 333 392 etot 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608 12 etot -8.0123E+01 mv 6 5 121 95 0 c 149 453.2 2.0 + 4 e 228 60 etot -6.9904E+01 mv 6 5 7 50 0 + 4 e 170 73 etot -6.7558E+01 mv 6 5 168 164 0 f 76 722.1 3.1 + 4 e 651 33 etot -8.1245E+01 mv 6 5 200 100 0 c 200 159.6 0.1 + 4 e 280 58 etot -8.2643E+01 mv 6 5 7 3 0 + 4 e 664 8 etot -7.9530E+01 mv 6 5 6 187 0 c 65 410.9 0.0 + 4 e 495 39 etot -6.4426E+01 mv 6 5 200 134 0 + 4 e 429 54 etot -7.4323E+01 mv 6 5 7 28 0 + 4 e 209 65 etot -7.6308E+01 mv 6 5 147 195 0 + 4 e 296 67 etot -6.6158E+01 mv 6 5 147 156 0 f 52 688.1 1.7 + 4 e 405 45 etot -7.0854E+01 mv 6 5 5 198 0 + 4 e 185 77 etot -6.8550E+01 mv 6 5 168 98 0 c 98 190.5 2.1 + 4 e 211 75 etot -7.4968E+01 mv 6 5 168 200 0 + 4 e 429 51 etot -7.3353E+01 mv 6 5 7 129 0 + 4 e 227 63 etot -7.8189E+01 mv 6 5 147 81 0 + 4 e 318 56 etot -7.7412E+01 mv 6 5 7 50 0 + -1 e 1 96 etot 1.3528E+20 mv 6 5 86 168 0 + 4 e 394 57 etot -7.3418E+01 mv 6 5 7 81 0 + 4 e 370 69 etot -7.4756E+01 mv 6 5 147 28 0 + 4 e 421 61 etot -7.4575E+01 mv 6 5 147 180 0 + 4 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etot -7.5320E+01 mv 6 5 33 70 0 + 4 e 167 128 etot -7.1739E+01 mv 6 5 33 85 0 c 170 453.9 4.9 + 4 e 450 102 etot -8.2865E+01 mv 6 5 37 18 0 c 84 550.2 0.7 + 4 e 246 120 etot -7.7778E+01 mv 6 5 22 65 0 c 22 191.3 0.9 + 4 e 207 125 etot -7.9469E+01 mv 6 5 33 95 0 + 4 e 638 64 etot -7.1665E+01 mv 6 5 147 196 0 f 196 601.1 6.9 + 4 e 478 76 etot -7.9049E+01 mv 6 5 168 149 0 c 14 359.8 1.6 + 4 e 489 101 etot -8.6514E+01 mv 6 5 37 66 0 c 37 325.6 0.8 + 4 e 234 115 etot -7.6590E+01 mv 6 5 22 111 0 + 4 e 311 110 etot -7.4170E+01 mv 6 5 37 72 0 + 4 e 514 104 etot -6.0539E+01 mv 6 5 37 146 0 + 4 e 438 112 etot -7.0866E+01 mv 6 5 22 24 0 + 4 e 248 129 etot -6.8174E+01 mv 6 5 33 88 0 + 4 e 290 127 etot -6.4510E+01 mv 6 5 33 126 0 + 4 e 124 139 etot -7.4378E+01 mv 6 5 107 197 0 + 4 e 443 95 etot -6.7698E+01 mv 6 5 86 141 0 + 4 e 303 126 etot -6.8943E+01 mv 6 5 33 109 0 c 109 318.9 1.1 + 4 e 196 136 etot -7.5877E+01 mv 6 5 107 13 0 + 4 e 311 114 etot -7.6280E+01 mv 6 5 22 132 0 c 132 384.3 1.5 + 4 e 419 119 etot -7.4864E+01 mv 6 5 22 196 0 + 4 e 197 142 etot -7.6392E+01 mv 6 5 169 73 0 c 169 1.2 0.0 + 4 e 132 150 etot -6.1133E+01 mv 6 5 169 33 0 + 4 e 203 143 etot -6.8647E+01 mv 6 5 169 142 0 f 38 647.3 3.8 + 4 e 224 141 etot -7.3697E+01 mv 6 5 169 114 0 + 4 e 327 117 etot -7.5094E+01 mv 6 5 22 180 0 + 4 e 348 132 etot -7.1393E+01 mv 6 5 107 106 0 + 4 e 352 133 etot -7.5903E+01 mv 6 5 107 98 0 c 98 431.1 7.4 + 4 e 429 130 etot -6.5010E+01 mv 6 5 33 29 0 + 4 e 371 138 etot -7.6507E+01 mv 6 5 107 112 0 + -1 e 1 167 etot 1.3528E+20 mv 6 5 180 72 0 + 4 e 235 151 etot -7.5901E+01 mv 6 5 160 170 0 + 4 e 233 153 etot -7.2444E+01 mv 6 5 160 56 0 c 56 443.8 5.8 + -1 e 1 170 etot 1.3528E+20 mv 6 5 180 148 0 + 4 e 361 122 etot -6.8200E+01 mv 6 5 33 42 0 + 4 e 432 135 etot -7.4346E+01 mv 6 5 107 41 0 + 4 e 282 149 etot -7.7690E+01 mv 6 5 169 7 0 c 169 138.0 1.3 + -1 e 1 173 etot 4.6388E+20 mv 6 5 96 190 0 + 4 e 421 140 etot -7.5070E+01 mv 6 5 107 50 0 + 4 e 220 160 etot -6.5766E+01 mv 6 5 160 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-7.1557E+01 mv 2 5 5 -107 0 c 175 397.1 4.6 + -1 e 1 253 etot 1.3528E+20 mv 2 5 37 -145 0 + -1 e 1 254 etot 1.3528E+20 mv 2 5 37 -26 0 + 4 e 384 217 etot -7.2760E+01 mv 2 5 200 -76 0 c 182 411.0 5.2 + 4 e 204 230 etot -7.1767E+01 mv 2 5 7 -140 0 + -1 e 1 257 etot 1.3528E+20 mv 2 5 22 -168 0 + 4 e 264 227 etot -7.0406E+01 mv 2 5 7 -58 0 + 4 e 193 241 etot -6.2829E+01 mv 2 5 57 -95 0 + 4 e 433 224 etot -6.9292E+01 mv 2 5 5 -16 0 + 8 e 288 237 etot -6.3985E+01 mv 2 5 168 -47 0 + 4 e 102 256 etot -7.6919E+01 mv 2 5 22 -40 0 + 4 e 359 232 etot -7.8188E+01 mv 2 5 147 -139 0 + 4 e 338 236 etot -7.1797E+01 mv 2 5 168 -151 0 + 4 e 332 222 etot -7.1021E+01 mv 2 5 5 -115 0 + 4 e 219 245 etot -7.7349E+01 mv 2 5 57 -77 0 + 4 e 257 240 etot -7.7883E+01 mv 2 5 168 -181 0 c 168 4.2 0.0 + 4 e 230 243 etot -7.1534E+01 mv 2 5 57 -114 0 + 4 e 280 233 etot -7.3730E+01 mv 2 5 147 -53 0 + 4 e 216 239 etot -7.7884E+01 mv 2 5 168 -124 0 c 168 3.8 0.0 + 4 e 495 229 etot -7.8909E+01 mv 2 5 7 -75 0 c 7 42.0 0.1 + 4 e 605 193 etot -6.6533E+01 mv 6 5 72 45 0 f 34 759.4 1.0 + 4 e 483 231 etot -7.4168E+01 mv 2 5 147 -56 0 + 4 e 289 248 etot -7.5922E+01 mv 2 5 86 -138 0 + 4 e 365 246 etot -7.6903E+01 mv 2 5 86 -40 0 + 4 e 529 235 etot -7.8740E+01 mv 2 5 147 -145 0 c 147 337.3 0.6 + 4 e 586 205 etot -7.9088E+01 mv 2 5 6 -175 0 c 194 335.6 4.5 + -1 e 1 278 etot 1.3528E+20 mv 2 5 160 -43 0 + 4 e 381 244 etot -7.7348E+01 mv 2 5 57 -70 0 + 4 e 231 251 etot -8.4212E+01 mv 2 5 37 -108 0 + 4 e 328 255 etot -8.5591E+01 mv 2 5 37 -103 0 + 4 e 232 262 etot -6.5490E+01 mv 2 5 33 -46 0 + -1 e 1 283 etot 1.3528E+20 mv 2 5 180 -116 0 + -1 e 1 284 etot 1.3528E+20 mv 2 5 180 -154 0 + 4 e 247 250 etot -7.1203E+01 mv 2 5 86 -27 0 + 4 e 258 260 etot -7.7050E+01 mv 2 5 22 -155 0 + 4 e 240 268 etot -6.7757E+01 mv 2 5 107 -35 0 + 4 e 571 238 etot -7.4083E+01 mv 2 5 168 -44 0 + 4 e 313 265 etot -7.0121E+01 mv 2 5 33 -9 0 + 4 e 212 266 etot -7.6620E+01 mv 2 5 107 -7 0 + -1 e 1 291 etot 1.3528E+20 mv 2 5 101 -123 0 + 4 e 274 259 etot -6.9542E+01 mv 2 5 22 -9 0 + 4 e 219 274 etot -7.4094E+01 mv 2 5 169 -124 0 + 4 e 170 273 etot -7.4145E+01 mv 2 5 169 -59 0 + 4 e 225 275 etot -7.6385E+01 mv 2 5 169 -95 0 + -1 e 1 296 etot 1.3528E+20 mv 2 5 72 -78 0 + 4 e 532 249 etot -7.5753E+01 mv 2 5 86 -184 0 + 4 e 340 267 etot -7.0575E+01 mv 2 5 107 -16 0 + 4 e 410 242 etot -5.1908E+01 mv 2 5 57 -141 0 + 4 e 433 264 etot -7.2704E+01 mv 2 5 33 -118 0 + 4 e 353 258 etot -7.8612E+01 mv 2 5 22 -79 0 c 63 382.6 1.1 + 4 e 578 252 etot -7.4411E+01 mv 2 5 37 -137 0 c 8 550.8 3.2 + 4 e 219 285 etot -7.0721E+01 mv 2 5 180 -170 0 + 4 e 261 271 etot -7.0935E+01 mv 2 5 169 -32 0 + 4 e 276 276 etot -6.7253E+01 mv 2 5 160 -68 0 + 4 e 479 263 etot -7.5955E+01 mv 2 5 33 -19 0 + 4 e 253 280 etot -6.5873E+01 mv 2 5 160 -69 0 + 4 e 527 261 etot -7.7512E+01 mv 2 5 33 -114 0 + 4 e 361 277 etot -7.4956E+01 mv 2 5 160 -57 0 + 4 e 337 287 etot -7.4544E+01 mv 2 5 96 -165 0 + 4 e 369 282 etot -6.4283E+01 mv 2 5 180 -116 0 + 4 e 500 272 etot -4.9005E+01 mv 2 5 169 -110 0 + 4 e 563 269 etot -7.5714E+01 mv 2 5 107 -88 0 + 4 e 277 290 etot -7.4009E+01 mv 2 5 96 -78 0 + 4 e 202 306 etot -8.1816E+01 mv 1 5 121 -47 0 + 4 e 701 234 etot -7.0237E+01 mv 2 5 147 -145 0 + 4 e 574 247 etot -6.9296E+01 mv 2 5 86 -150 0 f 146 682.7 3.8 + 4 e 178 309 etot -8.3119E+01 mv 1 5 121 -99 0 + 4 e 229 308 etot -7.2429E+01 mv 1 5 121 -42 0 + 4 e 437 288 etot -7.0832E+01 mv 2 5 96 -144 0 + 4 e 205 302 etot -6.7290E+01 mv 1 5 6 -107 0 f 88 617.4 1.8 + -1 e 1 322 etot 1.3528E+20 mv 1 5 5 -24 0 + 4 e 404 294 etot -7.4190E+01 mv 2 5 101 -164 0 + 4 e 281 292 etot -7.1519E+01 mv 2 5 101 -106 0 f 161 599.4 5.9 + 4 e 386 297 etot -7.5279E+01 mv 2 5 72 -165 0 + 4 e 481 289 etot -7.5350E+01 mv 2 5 96 -166 0 c 159 424.5 6.7 + 4 e 307 307 etot -7.1879E+01 mv 1 5 121 -20 0 + 4 e 300 295 etot -7.3624E+01 mv 2 5 101 -103 0 + 4 e 406 299 etot -7.4107E+01 mv 2 5 72 -106 0 + 4 e 196 315 etot -8.7259E+01 mv 1 5 191 -132 0 + 4 e 402 286 etot -7.1639E+01 mv 2 5 96 -144 0 + 4 e 256 310 etot -8.2892E+01 mv 1 5 121 -169 0 + 4 e 528 270 etot -7.6618E+01 mv 2 5 107 -128 0 + 4 e 216 314 etot -7.9919E+01 mv 1 5 191 -68 0 + 4 e 392 303 etot -5.5187E+01 mv 1 5 6 -162 0 + 4 e 241 313 etot -7.7111E+01 mv 1 5 191 -12 0 + 4 e 387 304 etot -8.1683E+01 mv 1 5 6 -121 0 c 6 189.4 2.2 + 4 e 454 279 etot -7.1237E+01 mv 2 5 160 -77 0 + -1 e 1 339 etot 1.3528E+20 mv 1 5 168 -49 0 + 4 e 282 311 etot -7.7869E+01 mv 1 5 191 -55 0 + 4 e 301 312 etot -7.5377E+01 mv 1 5 191 -13 0 + 4 e 494 281 etot -6.9628E+01 mv 2 5 180 -141 0 + 4 e 170 328 etot -6.9393E+01 mv 1 5 7 -177 0 + 4 e 198 318 etot -6.7951E+01 mv 1 5 200 -23 0 + 4 e 257 321 etot -7.0848E+01 mv 1 5 5 -42 0 + 4 e 261 320 etot -8.1173E+01 mv 1 5 200 -98 0 + 4 e 550 301 etot -7.9484E+01 mv 1 5 6 -81 0 + 4 e 161 335 etot -7.8189E+01 mv 1 5 147 -38 0 + 4 e 233 326 etot -7.8840E+01 mv 1 5 7 -37 0 + 4 e 171 336 etot -7.7884E+01 mv 1 5 168 -159 0 c 168 1.7 0.0 + 4 e 197 331 etot -7.6476E+01 mv 1 5 147 -86 0 + 4 e 242 327 etot -7.1767E+01 mv 1 5 7 -32 0 + 4 e 163 329 etot -7.1301E+01 mv 1 5 7 -102 0 + 4 e 225 330 etot -7.8840E+01 mv 1 5 7 -169 0 + 4 e 707 298 etot -7.5776E+01 mv 2 5 72 -175 0 + 4 e 401 316 etot -8.1172E+01 mv 1 5 200 -57 0 + 4 e 317 324 etot -7.3036E+01 mv 1 5 5 -120 0 c 175 273.3 1.5 + 4 e 197 334 etot -7.8189E+01 mv 1 5 147 -154 0 + 4 e 446 319 etot -7.6088E+01 mv 1 5 200 -28 0 + 4 e 306 325 etot -7.3309E+01 mv 1 5 5 -89 0 c 175 230.4 0.3 + 4 e 580 293 etot -7.1523E+01 mv 2 5 101 -49 0 f 46 649.4 5.8 + 4 e 382 333 etot -7.6588E+01 mv 1 5 147 -171 0 + 4 e 230 340 etot -6.7662E+01 mv 1 5 168 -71 0 + 4 e 213 351 etot -8.5591E+01 mv 1 5 37 -22 0 + 4 e 387 337 etot -6.7200E+01 mv 1 5 168 -12 0 + -1 e 1 365 etot 1.3528E+20 mv 1 5 33 -170 0 + 4 e 237 348 etot -6.7724E+01 mv 1 5 86 -27 0 + 4 e 287 332 etot -7.5063E+01 mv 1 5 147 -136 0 + 4 e 247 352 etot -8.5285E+01 mv 1 5 37 -139 0 + 4 e 236 355 etot -8.6024E+01 mv 1 5 37 -18 0 + 4 e 373 342 etot -6.3509E+01 mv 1 5 57 -123 0 + 4 e 299 349 etot -7.2764E+01 mv 1 5 86 -163 0 + 4 e 317 347 etot -6.4238E+01 mv 1 5 86 -87 0 + 4 e 353 346 etot -7.3936E+01 mv 1 5 86 -124 0 + 4 e 328 350 etot -7.9233E+01 mv 1 5 86 -54 0 c 86 192.7 2.3 + 4 e 273 356 etot -6.9180E+01 mv 1 5 22 -92 0 + 4 e 479 338 etot -7.0357E+01 mv 1 5 168 -63 0 + -1 e 1 378 etot 1.3528E+20 mv 1 5 160 -133 0 + 4 e 375 344 etot -7.7348E+01 mv 1 5 57 -76 0 + 4 e 265 345 etot -7.4108E+01 mv 1 5 57 -148 0 + 4 e 661 300 etot -4.9251E+01 mv 2 5 72 -156 0 + 4 e 142 366 etot -7.6620E+01 mv 1 5 107 -168 0 + 4 e 625 305 etot -8.0801E+01 mv 1 5 6 -147 0 + 4 e 522 341 etot -7.6672E+01 mv 1 5 57 -200 0 + 4 e 333 358 etot -7.9367E+01 mv 1 5 22 -40 0 c 22 385.3 1.6 + 4 e 278 360 etot -7.6918E+01 mv 1 5 22 -114 0 + 4 e 536 317 etot -7.0991E+01 mv 1 5 200 -186 0 + 4 e 141 374 etot -7.6392E+01 mv 1 5 169 -75 0 + 4 e 406 357 etot -7.3661E+01 mv 1 5 22 -154 0 + 4 e 261 367 etot -6.8761E+01 mv 1 5 107 -112 0 + 4 e 241 370 etot -7.5827E+01 mv 1 5 107 -148 0 + 4 e 262 359 etot -7.5495E+01 mv 1 5 22 -67 0 + 4 e 219 361 etot -7.9737E+01 mv 1 5 33 -123 0 c 33 1.1 0.0 + 4 e 186 375 etot -7.6392E+01 mv 1 5 169 -76 0 + 4 e 495 353 etot -8.1682E+01 mv 1 5 37 -128 0 c 142 501.7 2.4 + 4 e 341 363 etot -6.8543E+01 mv 1 5 33 -25 0 + 4 e 220 376 etot -7.0451E+01 mv 1 5 160 -24 0 + 4 e 356 354 etot -6.0896E+01 mv 1 5 37 -181 0 + 4 e 581 323 etot -8.0768E+01 mv 1 5 5 -187 0 c 5 129.8 0.6 + 4 e 321 371 etot -7.6591E+01 mv 1 5 169 -44 0 + 4 e 433 343 etot -7.5555E+01 mv 1 5 57 -45 0 + 4 e 117 392 etot -5.8643E+01 mv 1 5 101 -153 0 + 4 e 216 386 etot -7.4443E+01 mv 1 5 96 -60 0 + 4 e 169 391 etot -7.4233E+01 mv 1 5 101 -63 0 c 161 308.2 2.7 + 4 e 325 380 etot -7.6451E+01 mv 1 5 160 -130 0 c 160 20.9 0.3 + 4 e 173 390 etot -7.4443E+01 mv 1 5 96 -61 0 + 4 e 288 369 etot -7.0695E+01 mv 1 5 107 -177 0 + 4 e 219 389 etot -6.3445E+01 mv 1 5 96 -109 0 + 4 e 393 373 etot -7.5772E+01 mv 1 5 169 -5 0 c 134 288.8 0.6 + 4 e 284 385 etot -7.5358E+01 mv 1 5 180 -25 0 c 180 34.7 0.7 + 4 e 182 395 etot -7.3452E+01 mv 1 5 101 -197 0 + 4 e 378 379 etot -6.9082E+01 mv 1 5 160 -119 0 c 113 307.7 3.3 + 4 e 189 397 etot -5.9572E+01 mv 1 5 72 -128 0 + 4 e 65 407 etot -7.8189E+01 mv 0 5 147 0 0 + 4 e 126 404 etot -8.1174E+01 mv 0 5 200 0 0 + 4 e 104 402 etot -8.3119E+01 mv 0 5 121 0 0 + 4 e 139 403 etot -8.7259E+01 mv 0 5 191 0 0 + 4 e 97 405 etot -8.0215E+01 mv 0 5 5 0 0 + 4 e 165 394 etot -7.3696E+01 mv 1 5 101 -181 0 +## N0 total= 19 close= 8 far= 0 %acc 42.1 +## N1 total= 101 close= 15 far= 2 %acc 16.8 +## N2 total= 100 close= 11 far= 3 %acc 14.0 +## N3 total= 0 close= 0 far= 0 %acc 0.0 +## N4 total= 0 close= 0 far= 0 %acc 0.0 +## N5 total= 0 close= 0 far= 0 %acc 0.0 +## N6 total= 200 close= 62 far= 19 %acc 40.5 +## N7 total= 0 close= 0 far= 0 %acc 0.0 +## N8 total= 0 close= 0 far= 0 %acc 0.0 +## N9 total= 0 close= 0 far= 0 %acc 0.0 +##N10 total= 0 close= 0 far= 0 %acc 0.0 +##N11 total= 0 close= 0 far= 0 %acc 0.0 +##N12 total= 0 close= 0 far= 0 %acc 0.0 +##N13 total= 0 close= 0 far= 0 %acc 0.0 +##N14 total= 0 close= 0 far= 0 %acc 0.0 +##N15 total= 0 close= 0 far= 0 %acc 0.0 +##N16 total= 0 close= 0 far= 0 %acc 0.0 +##N17 total= 0 close= 0 far= 0 %acc 0.0 +##N18 total= 0 close= 0 far= 0 %acc 0.0 + Time for refresh 6 0.46 + make_var : nseed= 20 ntry= 420 + Time for make trial 7 0.04 +Nonsetup time 14.25 sec, Eval/s = 63531.58 +Time for iter 7 2.05 sec, Eval/s = 61079.94 + UPDATING 420 + 4 e 71 415 etot -7.6393E+01 mv 0 5 169 0 0 + 4 e 72 416 etot -7.6055E+01 mv 0 5 160 0 0 + 4 e 94 412 etot -7.6918E+01 mv 0 5 22 0 0 + 4 e 699 387 etot -7.2299E+01 mv 1 5 96 -97 0 + 4 e 112 406 etot -7.8840E+01 mv 0 5 7 0 0 + 4 e 321 398 etot -5.6035E+01 mv 1 5 72 -86 0 + 4 e 144 410 etot -7.6923E+01 mv 0 5 86 0 0 + 4 e 447 383 etot -7.4683E+01 mv 1 5 180 -45 0 + 4 e 521 377 etot -6.3131E+01 mv 1 5 160 -137 0 + 4 e 149 409 etot -7.7349E+01 mv 0 5 57 0 0 + 4 e 272 401 etot -7.5004E+01 mv 0 5 6 0 0 + 4 e 123 411 etot -8.5591E+01 mv 0 5 37 0 0 + 4 e 124 414 etot -7.6621E+01 mv 0 5 107 0 0 + 4 e 607 372 etot -6.8654E+01 mv 1 5 169 -165 0 + 4 e 115 419 etot -7.4233E+01 mv 0 5 101 0 0 c 161 0.4 0.0 + 4 e 116 413 etot -7.9737E+01 mv 0 5 33 0 0 c 33 0.5 0.0 + 4 e 134 418 etot -7.4443E+01 mv 0 5 96 0 0 + -1 e 1 9 etot 1.3528E+20 mv 6 6 142 99 0 + 4 e 592 368 etot -7.6617E+01 mv 1 5 107 -98 0 + 4 e 461 396 etot -6.6648E+01 mv 1 5 72 -12 0 + 4 e 268 399 etot -5.9397E+01 mv 1 5 72 -85 0 + 4 e 291 388 etot -7.1606E+01 mv 1 5 96 -131 0 f 112 545.4 5.9 + -1 e 1 13 etot 1.3528E+20 mv 6 6 21 31 0 + 4 e 123 408 etot -7.7884E+01 mv 0 5 168 0 0 c 168 0.8 0.0 + 4 e 366 400 etot -7.2234E+01 mv 1 5 72 -167 0 + 4 e 507 364 etot -7.9735E+01 mv 1 5 33 -51 0 + -1 e 1 19 etot 1.3528E+20 mv 6 6 21 190 0 + 4 e 377 384 etot -7.4666E+01 mv 1 5 180 -192 0 + 4 e 457 393 etot -7.4170E+01 mv 1 5 101 -192 0 + 4 e 106 420 etot -7.4109E+01 mv 0 5 72 0 0 + 4 e 447 381 etot -7.3405E+01 mv 1 5 180 -16 0 + 4 e 223 417 etot -7.4630E+01 mv 0 5 180 0 0 + 4 e 485 362 etot -7.8553E+01 mv 1 5 33 -13 0 + 4 e 393 382 etot -6.6605E+01 mv 1 5 180 -121 0 + -1 e 1 34 etot 1.3528E+20 mv 6 6 178 117 0 + 4 e 164 12 etot -7.8849E+01 mv 6 6 21 1 0 + 4 e 191 11 etot -6.3799E+01 mv 6 6 21 145 0 + 4 e 177 32 etot -6.4887E+01 mv 6 6 178 141 0 + 4 e 211 18 etot -7.7464E+01 mv 6 6 21 196 0 + 4 e 218 5 etot -8.5885E+01 mv 6 6 142 37 0 + 4 e 252 3 etot -8.2650E+01 mv 6 6 142 196 0 c 142 228.5 1.0 + -1 e 1 41 etot 1.3528E+20 mv 6 6 164 68 0 + 4 e 258 23 etot -8.0577E+01 mv 6 6 66 104 0 + 4 e 267 29 etot -6.8462E+01 mv 6 6 66 137 0 f 176 759.7 2.7 + 4 e 262 10 etot -8.1686E+01 mv 6 6 142 134 0 + 4 e 279 14 etot -7.0617E+01 mv 6 6 21 149 0 + 4 e 282 8 etot -8.1686E+01 mv 6 6 142 190 0 + 4 e 280 27 etot -7.7562E+01 mv 6 6 66 120 0 c 91 262.0 8.8 + 4 e 282 2 etot -8.0115E+01 mv 6 6 142 178 0 f 167 581.9 14.3 + 4 e 315 16 etot -6.6624E+01 mv 6 6 21 24 0 + 4 e 320 26 etot -7.0074E+01 mv 6 6 66 51 0 f 116 550.1 4.1 + 4 e 258 24 etot -7.1701E+01 mv 6 6 66 117 0 f 45 663.0 5.6 + 4 e 350 20 etot -6.7251E+01 mv 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mv 6 6 73 34 0 + 4 e 494 7 etot -7.7264E+01 mv 6 6 142 160 0 + -1 e 1 74 etot 1.3528E+20 mv 6 6 73 10 0 + 4 e 222 45 etot -7.9888E+01 mv 6 6 164 167 0 c 164 160.9 0.3 + 4 e 350 39 etot -8.0857E+01 mv 6 6 178 66 0 + 4 e 261 50 etot -7.2791E+01 mv 6 6 164 19 0 f 77 541.7 6.6 + 4 e 202 58 etot -7.0708E+01 mv 6 6 3 184 0 c 184 82.1 0.5 + 4 e 240 68 etot -7.9127E+01 mv 6 6 14 6 0 c 14 122.6 0.1 + 4 e 393 46 etot -7.8567E+01 mv 6 6 164 149 0 + 4 e 235 53 etot -8.3535E+01 mv 6 6 3 134 0 c 3 234.3 0.9 + 4 e 510 36 etot -8.2228E+01 mv 6 6 178 92 0 f 52 596.3 16.1 + 4 e 234 69 etot -6.2103E+01 mv 6 6 14 55 0 + 4 e 253 55 etot -7.4128E+01 mv 6 6 3 58 0 c 58 495.4 1.2 + 4 e 308 51 etot -7.9582E+01 mv 6 6 3 186 0 + 4 e 429 35 etot -8.2011E+01 mv 6 6 178 107 0 + 4 e 398 47 etot -8.1174E+01 mv 6 6 164 152 0 c 164 115.6 1.3 + 4 e 400 56 etot -7.9200E+01 mv 6 6 3 91 0 + 4 e 188 70 etot -6.8706E+01 mv 6 6 14 177 0 + 4 e 233 66 etot -7.7585E+01 mv 6 6 14 193 0 + 4 e 590 22 etot -7.3618E+01 mv 6 6 66 13 0 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6 6 147 7 0 f 114 591.0 10.1 + -1 e 1 113 etot 1.3528E+20 mv 6 6 98 126 0 + 4 e 258 78 etot -7.9451E+01 mv 6 6 73 106 0 + -1 e 1 115 etot 1.3528E+20 mv 6 6 98 56 0 + 4 e 131 96 etot -7.9090E+01 mv 6 6 138 194 0 c 194 2.6 0.0 + 4 e 305 84 etot -7.7923E+01 mv 6 6 147 69 0 + 4 e 215 60 etot -7.4859E+01 mv 6 6 3 23 0 c 23 444.6 6.6 + 4 e 228 94 etot -6.6871E+01 mv 6 6 138 135 0 + 4 e 282 90 etot -7.7185E+01 mv 6 6 147 45 0 + 4 e 122 109 etot -7.5773E+01 mv 6 6 28 134 0 c 134 3.9 0.0 + 4 e 150 100 etot -5.7450E+01 mv 6 6 138 181 0 + 4 e 439 62 etot -6.8299E+01 mv 6 6 14 31 0 f 123 562.3 2.0 + 4 e 304 97 etot -8.0326E+01 mv 6 6 138 166 0 c 138 114.0 1.7 + 4 e 336 91 etot -7.3036E+01 mv 6 6 138 76 0 + 4 e 185 114 etot -6.3508E+01 mv 6 6 98 119 0 + 4 e 319 105 etot -5.9346E+01 mv 6 6 28 45 0 + 4 e 225 101 etot -7.7930E+01 mv 6 6 28 46 0 c 28 3.8 0.0 + 4 e 76 127 etot -7.4278E+01 mv 6 6 169 111 0 c 111 2.0 0.0 + -1 e 1 130 etot 1.3528E+20 mv 6 6 169 36 0 + 4 e 604 75 etot -7.6187E+01 mv 6 6 73 179 0 + 4 e 311 93 etot -7.4948E+01 mv 6 6 138 40 0 + 4 e 127 124 etot -6.5795E+01 mv 6 6 169 68 0 + 4 e 242 107 etot -6.3286E+01 mv 6 6 28 183 0 + 4 e 268 108 etot -7.8155E+01 mv 6 6 28 170 0 c 28 2.0 0.2 + 4 e 580 88 etot -7.6021E+01 mv 6 6 147 14 0 + -1 e 1 137 etot 1.3528E+20 mv 6 6 50 119 0 + 4 e 480 98 etot -6.8445E+01 mv 6 6 138 146 0 + 4 e 493 103 etot -7.3635E+01 mv 6 6 28 1 0 + 4 e 150 128 etot -7.2893E+01 mv 6 6 169 54 0 + 4 e 622 79 etot -7.5839E+01 mv 6 6 73 150 0 + 4 e 351 99 etot -7.8011E+01 mv 6 6 138 34 0 + 4 e 429 86 etot -7.6091E+01 mv 6 6 147 40 0 + 4 e 408 112 etot -7.7518E+01 mv 6 6 98 125 0 + 4 e 284 125 etot -6.4986E+01 mv 6 6 169 45 0 + 4 e 434 111 etot -8.1765E+01 mv 6 6 98 183 0 c 98 462.7 0.1 + 4 e 373 120 etot -7.1928E+01 mv 6 6 98 39 0 f 120 537.8 5.6 + 4 e 213 123 etot -8.0143E+01 mv 6 6 169 3 0 + 4 e 365 121 etot -7.4102E+01 mv 6 6 169 157 0 + 4 e 482 110 etot -7.9511E+01 mv 6 6 28 200 0 c 28 498.1 1.4 + 4 e 672 89 etot -7.6771E+01 mv 6 6 147 92 0 + 4 e 487 85 etot -8.1899E+01 mv 6 6 147 172 0 + 4 e 84 142 etot -7.3309E+01 mv 6 6 96 175 0 c 175 2.7 0.0 + 4 e 155 139 etot -6.4063E+01 mv 6 6 50 18 0 + 4 e 269 131 etot -7.0514E+01 mv 6 6 50 153 0 + 4 e 464 122 etot -6.3083E+01 mv 6 6 169 71 0 + 4 e 404 126 etot -7.1586E+01 mv 6 6 169 62 0 f 44 659.4 5.2 + 4 e 651 106 etot -8.0672E+01 mv 6 6 28 80 0 f 117 534.7 14.2 + 4 e 553 118 etot -7.4979E+01 mv 6 6 98 128 0 c 128 330.0 3.8 + 4 e 134 151 etot -7.1410E+01 mv 6 6 63 15 0 f 34 542.9 4.9 + 4 e 203 146 etot -6.1041E+01 mv 6 6 96 184 0 + 4 e 192 143 etot -6.9177E+01 mv 6 6 96 91 0 f 143 584.7 2.6 + 4 e 647 116 etot -7.5134E+01 mv 6 6 98 186 0 f 99 552.3 8.6 + 4 e 394 117 etot -7.6757E+01 mv 6 6 98 32 0 + 4 e 305 87 etot -7.1963E+01 mv 6 6 147 105 0 + 4 e 321 141 etot -6.1847E+01 mv 6 6 96 101 0 + 4 e 289 145 etot -7.3771E+01 mv 6 6 96 137 0 + 4 e 457 132 etot -7.7298E+01 mv 6 6 50 8 0 c 50 228.6 0.1 + 4 e 313 129 etot -7.2955E+01 mv 6 6 169 77 0 + 4 e 246 119 etot -8.1410E+01 mv 6 6 98 74 0 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etot 1.3528E+20 mv 6 6 132 52 0 + 4 e 528 140 etot -8.1580E+01 mv 6 6 50 35 0 c 35 273.8 2.1 + 4 e 314 162 etot -7.3119E+01 mv 6 6 160 200 0 + 4 e 367 161 etot -7.4714E+01 mv 6 6 160 162 0 + 4 e 393 144 etot -7.6757E+01 mv 6 6 96 150 0 + -1 e 1 196 etot 1.3528E+20 mv 6 6 132 136 0 + 4 e 392 135 etot -6.8158E+01 mv 6 6 50 100 0 f 54 593.0 1.6 + 4 e 240 169 etot -7.5862E+01 mv 6 6 160 150 0 + 4 e 165 179 etot -6.9220E+01 mv 6 6 9 75 0 + 4 e 85 187 etot -7.4233E+01 mv 6 6 101 161 0 c 161 0.3 0.0 + -1 e 1 201 etot 1.3528E+20 mv 2 6 142 -86 0 + 4 e 370 167 etot -7.0702E+01 mv 6 6 160 179 0 c 113 221.6 1.6 + 4 e 381 168 etot -7.1066E+01 mv 6 6 160 42 0 + 4 e 303 174 etot -6.9111E+01 mv 6 6 9 41 0 + -1 e 1 205 etot 1.3528E+20 mv 2 6 142 -115 0 + 4 e 313 173 etot -7.5108E+01 mv 6 6 9 105 0 + 4 e 325 172 etot -7.9362E+01 mv 6 6 9 171 0 + 4 e 277 178 etot -8.3910E+01 mv 6 6 9 170 0 + 4 e 223 189 etot -6.7044E+01 mv 6 6 101 147 0 f 61 577.1 0.4 + 4 e 533 136 etot -6.8422E+01 mv 6 6 50 167 0 + -1 e 1 210 etot 1.2266E+25 mv 2 6 21 -155 0 + 4 e 282 180 etot -6.8830E+01 mv 6 6 9 132 0 f 75 617.3 2.2 + 4 e 298 181 etot -6.7765E+01 mv 6 6 101 192 0 + 4 e 632 156 etot -7.4964E+01 mv 6 6 63 92 0 c 195 428.9 4.0 + 4 e 532 164 etot -7.1066E+01 mv 6 6 160 77 0 c 113 341.4 0.4 + 4 e 122 206 etot -6.2277E+01 mv 2 6 21 -111 0 + 4 e 281 166 etot -7.5320E+01 mv 6 6 160 94 0 + 4 e 208 200 etot -7.1600E+01 mv 6 6 132 136 0 + -1 e 1 218 etot 1.3528E+20 mv 2 6 178 -186 0 + 4 e 343 188 etot -6.9373E+01 mv 6 6 101 12 0 + 4 e 306 170 etot -7.2791E+01 mv 6 6 160 86 0 + 4 e 363 190 etot -7.4017E+01 mv 6 6 101 150 0 f 158 655.7 7.4 + 4 e 239 192 etot -7.6280E+01 mv 6 6 132 22 0 + -1 e 1 224 etot 1.3528E+20 mv 2 6 164 -25 0 + 4 e 443 182 etot -7.6804E+01 mv 6 6 101 88 0 c 101 7.6 0.4 + 4 e 228 197 etot -7.6050E+01 mv 6 6 132 42 0 + 4 e 347 195 etot -6.3332E+01 mv 6 6 132 196 0 + 4 e 342 171 etot -7.9847E+01 mv 6 6 9 85 0 + 4 e 357 199 etot -7.2027E+01 mv 6 6 132 181 0 f 156 729.6 5.3 + -1 e 1 230 etot 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66 -75 0 + 4 e 483 212 etot -7.5108E+01 mv 2 6 66 -23 0 + 4 e 262 231 etot -7.6750E+01 mv 2 6 14 -74 0 + 4 e 443 215 etot -8.1731E+01 mv 2 6 66 -27 0 c 66 5.4 0.0 + 4 e 302 220 etot -8.0836E+01 mv 2 6 178 -40 0 c 167 271.8 0.7 + 4 e 326 228 etot -7.6791E+01 mv 2 6 3 -44 0 + 4 e 434 217 etot -7.6870E+01 mv 2 6 178 -26 0 c 64 440.9 0.8 + 4 e 556 207 etot -8.2481E+01 mv 2 6 21 -19 0 + 4 e 270 222 etot -7.6661E+01 mv 2 6 164 -43 0 + 4 e 169 246 etot -7.8614E+01 mv 2 6 138 -14 0 + -1 e 1 259 etot 1.3528E+20 mv 2 6 98 -94 0 + 4 e 466 202 etot -7.4395E+01 mv 2 6 142 -194 0 f 61 572.3 7.4 + 8 e 125 247 etot -6.3995E+01 mv 2 6 138 -49 0 + 4 e 253 245 etot -7.4370E+01 mv 2 6 147 -34 0 + 4 e 172 249 etot -6.4308E+01 mv 2 6 138 -193 0 + 4 e 565 219 etot -7.4918E+01 mv 2 6 178 -162 0 + 4 e 365 242 etot -6.8647E+01 mv 2 6 147 -18 0 + -1 e 1 266 etot 1.3528E+20 mv 2 6 50 -18 0 + 4 e 358 238 etot -7.2477E+01 mv 2 6 73 -9 0 + -1 e 1 268 etot 1.3528E+20 mv 2 6 50 -18 0 + 4 e 509 226 etot -7.8540E+01 mv 2 6 3 -193 0 + 4 e 393 237 etot -7.4667E+01 mv 2 6 73 -179 0 + 4 e 328 229 etot -8.0837E+01 mv 2 6 3 -138 0 + 4 e 379 241 etot -7.6143E+01 mv 2 6 147 -11 0 + 4 e 192 255 etot -7.7930E+01 mv 2 6 28 -17 0 + 4 e 243 250 etot -7.8614E+01 mv 2 6 138 -139 0 + 4 e 450 235 etot -7.5584E+01 mv 2 6 14 -134 0 + 4 e 135 263 etot -6.3909E+01 mv 2 6 169 -4 0 + 4 e 452 239 etot -5.9703E+01 mv 2 6 73 -91 0 + 4 e 413 227 etot -7.0732E+01 mv 2 6 3 -67 0 + 4 e 468 240 etot -7.1350E+01 mv 2 6 73 -162 0 + 4 e 207 260 etot -8.1675E+01 mv 2 6 98 -147 0 + 4 e 357 252 etot -7.7617E+01 mv 2 6 28 -145 0 + 4 e 380 253 etot -6.0561E+01 mv 2 6 28 -55 0 + 4 e 426 233 etot -7.1949E+01 mv 2 6 14 -89 0 c 129 437.0 0.8 + 4 e 396 236 etot -7.0763E+01 mv 2 6 73 -161 0 + 4 e 127 278 etot -6.1045E+01 mv 2 6 63 -168 0 + 4 e 157 276 etot -7.8614E+01 mv 2 6 63 -189 0 c 63 2.7 0.0 + 4 e 204 262 etot -6.2710E+01 mv 2 6 169 -183 0 + 4 e 203 275 etot -7.6500E+01 mv 2 6 96 -47 0 + 4 e 422 257 etot -7.7924E+01 mv 2 6 98 -51 0 + 4 e 424 256 etot -8.1096E+01 mv 2 6 98 -33 0 + 4 e 231 274 etot -6.9228E+01 mv 2 6 96 -74 0 + 4 e 437 244 etot -7.6223E+01 mv 2 6 147 -164 0 c 19 305.6 0.5 + 4 e 338 265 etot -7.8997E+01 mv 2 6 169 -175 0 c 169 216.9 1.3 + -1 e 1 294 etot 1.3528E+20 mv 2 6 101 -116 0 + 4 e 513 251 etot -8.0126E+01 mv 2 6 28 -67 0 + 4 e 252 277 etot -7.0617E+01 mv 2 6 63 -197 0 + 4 e 405 248 etot -7.6862E+01 mv 2 6 138 -93 0 + 4 e 337 270 etot -7.7149E+01 mv 2 6 50 -88 0 + -1 e 1 299 etot 1.3528E+20 mv 2 6 132 -177 0 + 4 e 436 264 etot -6.4511E+01 mv 2 6 169 -39 0 + 4 e 309 261 etot -8.2793E+01 mv 2 6 169 -13 0 c 169 282.2 3.8 + 4 e 220 282 etot -6.0363E+01 mv 2 6 160 -56 0 + 4 e 204 279 etot -6.9365E+01 mv 2 6 63 -166 0 + 4 e 296 280 etot -7.5794E+01 mv 2 6 63 -114 0 + 4 e 559 234 etot -7.5378E+01 mv 2 6 14 -171 0 + -1 e 1 306 etot 1.3528E+20 mv 1 6 21 -19 0 + 4 e 409 269 etot -7.5078E+01 mv 2 6 50 -150 0 + -1 e 1 308 etot 1.3528E+20 mv 1 6 21 -128 0 + 4 e 198 286 etot -7.2022E+01 mv 2 6 9 -34 0 + 4 e 161 290 etot -8.3911E+01 mv 2 6 9 -104 0 + 8 e 7 307 etot -6.3998E+01 mv 1 6 21 -80 0 + 4 e 181 284 etot -6.6763E+01 mv 2 6 160 -144 0 + 4 e 566 243 etot -8.3343E+01 mv 2 6 147 -199 0 c 147 420.4 4.6 + 4 e 410 258 etot -7.5862E+01 mv 2 6 98 -17 0 + 4 e 268 287 etot -7.4713E+01 mv 2 6 9 -197 0 f 55 534.5 7.6 + 4 e 199 295 etot -7.6356E+01 mv 2 6 101 -33 0 c 161 414.3 2.1 + 4 e 213 285 etot -7.6452E+01 mv 2 6 160 -191 0 c 160 1.5 0.0 + 4 e 527 271 etot -7.7035E+01 mv 2 6 96 -69 0 c 159 434.7 1.7 + 4 e 556 267 etot -5.7871E+01 mv 2 6 50 -17 0 + 4 e 363 283 etot -6.3514E+01 mv 2 6 160 -154 0 + 4 e 539 273 etot -7.7100E+01 mv 2 6 96 -81 0 c 159 352.8 0.1 + 4 e 166 298 etot -6.0245E+01 mv 2 6 132 -70 0 + 4 e 303 291 etot -6.1738E+01 mv 2 6 101 -44 0 + 4 e 451 281 etot -6.8415E+01 mv 2 6 160 -92 0 + 4 e 217 301 etot -8.2476E+01 mv 1 6 142 -65 0 + 4 e 289 296 etot -6.9482E+01 mv 2 6 132 -90 0 + 4 e 347 300 etot -7.2024E+01 mv 2 6 132 -165 0 + 4 e 135 321 etot -7.9595E+01 mv 1 6 164 -15 0 + 4 e 278 310 etot -8.4720E+01 mv 1 6 21 -77 0 c 21 17.0 0.3 + 4 e 643 254 etot -7.1118E+01 mv 2 6 28 -84 0 + 4 e 256 316 etot -8.0408E+01 mv 1 6 178 -20 0 c 151 362.2 9.2 + 4 e 334 309 etot -8.4402E+01 mv 1 6 21 -40 0 + -1 e 1 333 etot 1.3528E+20 mv 1 6 14 -97 0 + 4 e 223 322 etot -7.9107E+01 mv 1 6 164 -38 0 + -1 e 1 335 etot 1.3528E+20 mv 1 6 14 -15 0 + 4 e 223 320 etot -8.0408E+01 mv 1 6 178 -112 0 c 151 1.7 0.0 + 4 e 551 289 etot -7.9846E+01 mv 2 6 9 -2 0 + 4 e 221 325 etot -7.9588E+01 mv 1 6 164 -56 0 + 4 e 226 326 etot -8.2643E+01 mv 1 6 3 -180 0 + 4 e 244 324 etot -7.8404E+01 mv 1 6 164 -181 0 + 4 e 231 314 etot -7.6744E+01 mv 1 6 66 -32 0 + 4 e 408 288 etot -8.2957E+01 mv 2 6 9 -5 0 + 4 e 574 292 etot -6.6440E+01 mv 2 6 101 -76 0 + 4 e 253 327 etot -7.9373E+01 mv 1 6 3 -151 0 + 4 e 351 317 etot -5.8238E+01 mv 1 6 178 -196 0 + -1 e 1 346 etot 1.3528E+20 mv 1 6 138 -45 0 + 4 e 229 318 etot -6.6614E+01 mv 1 6 178 -65 0 + 4 e 335 304 etot -7.7470E+01 mv 1 6 142 -24 0 + 4 e 282 315 etot -8.1568E+01 mv 1 6 66 -28 0 + 4 e 475 311 etot -8.1730E+01 mv 1 6 66 -111 0 + 4 e 212 329 etot -7.6944E+01 mv 1 6 3 -1 0 + 4 e 231 328 etot -8.1927E+01 mv 1 6 3 -22 0 + 4 e 224 330 etot -8.1927E+01 mv 1 6 3 -61 0 + 4 e 652 272 etot -7.5919E+01 mv 2 6 96 -172 0 + 4 e 544 305 etot -7.0967E+01 mv 1 6 142 -141 0 + 4 e 418 319 etot -7.5003E+01 mv 1 6 178 -166 0 + 4 e 652 297 etot -6.3630E+01 mv 2 6 132 -121 0 + 4 e 221 334 etot -7.9354E+01 mv 1 6 14 -153 0 + 4 e 314 323 etot -7.2876E+01 mv 1 6 164 -8 0 + 4 e 650 303 etot -8.2640E+01 mv 1 6 142 -29 0 + 4 e 194 347 etot -6.6455E+01 mv 1 6 138 -82 0 + 4 e 529 293 etot -7.6677E+01 mv 2 6 101 -138 0 c 141 398.4 3.5 + 4 e 265 341 etot -7.8742E+01 mv 1 6 147 -63 0 c 19 394.8 2.5 + 4 e 186 343 etot -6.6322E+01 mv 1 6 147 -83 0 + 4 e 538 302 etot -7.6721E+01 mv 1 6 142 -112 0 + 4 e 384 337 etot -8.0228E+01 mv 1 6 73 -24 0 c 73 4.5 0.0 + 4 e 125 361 etot -7.7690E+01 mv 1 6 169 -34 0 + 4 e 223 349 etot -6.1164E+01 mv 1 6 138 -12 0 + 4 e 388 339 etot -7.9350E+01 mv 1 6 73 -199 0 + 4 e 508 332 etot -8.0370E+01 mv 1 6 14 -129 0 c 14 324.3 0.7 + 4 e 358 354 etot -6.3796E+01 mv 1 6 28 -196 0 + 4 e 582 312 etot -7.2204E+01 mv 1 6 66 -176 0 + -1 e 1 372 etot 1.3528E+20 mv 1 6 96 -155 0 + 4 e 437 345 etot -7.8767E+01 mv 1 6 147 -194 0 c 19 125.0 0.0 + 4 e 349 357 etot -8.0999E+01 mv 1 6 98 -183 0 + 4 e 510 338 etot -8.1155E+01 mv 1 6 73 -25 0 c 157 373.6 8.7 + 4 e 462 344 etot -7.8760E+01 mv 1 6 147 -103 0 + 4 e 257 362 etot -7.7635E+01 mv 1 6 169 -154 0 + 4 e 388 331 etot -7.9238E+01 mv 1 6 14 -35 0 + 4 e 146 368 etot -6.1436E+01 mv 1 6 50 -129 0 + 4 e 340 342 etot -7.7206E+01 mv 1 6 147 -5 0 + 4 e 342 359 etot -8.1673E+01 mv 1 6 98 -124 0 + 4 e 364 358 etot -7.0698E+01 mv 1 6 98 -70 0 + 4 e 525 340 etot -7.6262E+01 mv 1 6 73 -174 0 + 4 e 602 313 etot -7.8566E+01 mv 1 6 66 -145 0 + 4 e 586 336 etot -6.9189E+01 mv 1 6 73 -104 0 + 4 e 340 348 etot -7.8429E+01 mv 1 6 138 -166 0 + 4 e 423 356 etot -7.7481E+01 mv 1 6 98 -16 0 + 4 e 321 355 etot -7.7719E+01 mv 1 6 28 -193 0 + 4 e 207 365 etot -7.7690E+01 mv 1 6 169 -55 0 + 4 e 355 364 etot -7.6953E+01 mv 1 6 169 -155 0 + 4 e 537 352 etot -7.9992E+01 mv 1 6 28 -156 0 + 4 e 555 353 etot -6.8363E+01 mv 1 6 28 -118 0 + 4 e 220 366 etot -7.7429E+01 mv 1 6 50 -130 0 c 50 221.5 0.1 + 4 e 565 351 etot -5.7218E+01 mv 1 6 28 -79 0 + 4 e 280 371 etot -7.7822E+01 mv 1 6 96 -30 0 c 96 344.8 0.3 + 4 e 268 376 etot -7.6451E+01 mv 1 6 63 -29 0 + 4 e 304 374 etot -7.7303E+01 mv 1 6 96 -16 0 + 4 e 422 367 etot -7.8639E+01 mv 1 6 50 -63 0 c 50 290.2 1.2 + -1 e 1 399 etot 1.3528E+20 mv 1 6 132 -140 0 + 4 e 297 381 etot -6.7707E+01 mv 1 6 160 -27 0 + 4 e 181 386 etot -8.1982E+01 mv 1 6 9 -136 0 + 4 e 420 360 etot -7.7481E+01 mv 1 6 98 -167 0 + 4 e 272 389 etot -8.1914E+01 mv 1 6 9 -115 0 + 4 e 192 396 etot -7.6281E+01 mv 1 6 132 -118 0 + 4 e 176 390 etot -8.3911E+01 mv 1 6 9 -187 0 + 4 e 439 370 etot -7.7149E+01 mv 1 6 50 -8 0 + 4 e 363 379 etot -7.8613E+01 mv 1 6 63 -196 0 + 4 e 51 405 etot -7.9595E+01 mv 0 6 164 0 0 + 4 e 424 363 etot -7.9268E+01 mv 1 6 169 -108 0 + 4 e 426 375 etot -7.1229E+01 mv 1 6 96 -92 0 + 4 e 294 394 etot -7.6119E+01 mv 1 6 101 -183 0 + 4 e 228 391 etot -7.5286E+01 mv 1 6 101 -137 0 + 4 e 94 406 etot -8.2643E+01 mv 0 6 3 0 0 + 4 e 174 401 etot -8.1687E+01 mv 0 6 142 0 0 + 4 e 427 383 etot -7.6456E+01 mv 1 6 160 -121 0 c 160 188.3 0.0 + 4 e 463 378 etot -7.8239E+01 mv 1 6 63 -184 0 + 4 e 342 392 etot -7.6709E+01 mv 1 6 101 -107 0 c 161 184.0 0.4 + 4 e 118 403 etot -8.1733E+01 mv 0 6 66 0 0 c 66 3.6 0.0 +## N0 total= 19 close= 4 far= 0 %acc 21.1 +## N1 total= 101 close= 13 far= 1 %acc 13.9 +## N2 total= 100 close= 14 far= 4 %acc 18.0 +## N3 total= 0 close= 0 far= 0 %acc 0.0 +## N4 total= 0 close= 0 far= 0 %acc 0.0 +## N5 total= 0 close= 0 far= 0 %acc 0.0 +## N6 total= 200 close= 42 far= 21 %acc 31.5 +## N7 total= 0 close= 0 far= 0 %acc 0.0 +## N8 total= 0 close= 0 far= 0 %acc 0.0 +## N9 total= 0 close= 0 far= 0 %acc 0.0 +##N10 total= 0 close= 0 far= 0 %acc 0.0 +##N11 total= 0 close= 0 far= 0 %acc 0.0 +##N12 total= 0 close= 0 far= 0 %acc 0.0 +##N13 total= 0 close= 0 far= 0 %acc 0.0 +##N14 total= 0 close= 0 far= 0 %acc 0.0 +##N15 total= 0 close= 0 far= 0 %acc 0.0 +##N16 total= 0 close= 0 far= 0 %acc 0.0 +##N17 total= 0 close= 0 far= 0 %acc 0.0 +##N18 total= 0 close= 0 far= 0 %acc 0.0 + Time for refresh 7 0.26 + make_var : nseed= 20 ntry= 420 + Time for make trial 8 0.05 +Nonsetup time 16.15 sec, Eval/s = 63964.70 +Time for iter 8 1.90 sec, Eval/s = 67215.80 + UPDATING 420 + 4 e 551 387 etot -6.4663E+01 mv 1 6 9 -81 0 + 4 e 601 377 etot -7.5794E+01 mv 1 6 63 -162 0 + 4 e 101 413 etot -7.7690E+01 mv 0 6 169 0 0 + 4 e 116 412 etot -8.1675E+01 mv 0 6 98 0 0 + 4 e 80 415 etot -7.6501E+01 mv 0 6 96 0 0 + 4 e 263 397 etot -7.4410E+01 mv 1 6 132 -57 0 + 4 e 288 402 etot -8.4720E+01 mv 0 6 21 0 0 c 21 2.2 0.0 + 4 e 526 384 etot -7.6450E+01 mv 1 6 160 -49 0 + 4 e 139 409 etot -7.8742E+01 mv 0 6 147 0 0 + 4 e 202 408 etot -8.0229E+01 mv 0 6 73 0 0 c 73 3.8 0.0 + 4 e 116 417 etot -7.6452E+01 mv 0 6 160 0 0 + 4 e 36 418 etot -8.3911E+01 mv 0 6 9 0 0 c 9 0.1 0.0 + 4 e 92 410 etot -7.8614E+01 mv 0 6 138 0 0 + 4 e 458 385 etot -7.6450E+01 mv 1 6 160 -88 0 + 4 e 356 398 etot -5.6554E+01 mv 1 6 132 -107 0 + 4 e 120 416 etot -7.8614E+01 mv 0 6 63 0 0 c 63 0.9 0.0 + 4 e 106 419 etot -7.6356E+01 mv 0 6 101 0 0 + 4 e 207 400 etot -7.6281E+01 mv 1 6 132 -82 0 + 4 e 467 393 etot -7.3874E+01 mv 1 6 101 -40 0 + 4 e 491 373 etot -7.7109E+01 mv 1 6 96 -55 0 + 4 e 404 388 etot -7.9312E+01 mv 1 6 9 -10 0 + 4 e 688 350 etot -7.5097E+01 mv 1 6 138 -196 0 + 4 e 84 420 etot -7.6281E+01 mv 0 6 132 0 0 + 4 e 445 369 etot -7.7285E+01 mv 1 6 50 -48 0 + 4 e 133 411 etot -7.7931E+01 mv 0 6 28 0 0 + 4 e 318 395 etot -7.6290E+01 mv 1 6 101 -156 0 + 4 e 396 382 etot -7.5707E+01 mv 1 6 160 -189 0 + -1 e 1 21 etot 1.3528E+20 mv 6 7 6 160 0 + 4 e 157 407 etot -7.9051E+01 mv 0 6 14 0 0 + 4 e 143 414 etot -7.7150E+01 mv 0 6 50 0 0 + 4 e 107 404 etot -8.0408E+01 mv 0 6 178 0 0 c 151 1.2 0.0 + 4 e 346 380 etot -7.8613E+01 mv 1 6 63 -16 0 + -1 e 1 6 etot 1.3528E+20 mv 6 7 178 35 0 + 4 e 167 18 etot -7.1130E+01 mv 6 7 147 92 0 + 4 e 142 24 etot -6.1014E+01 mv 6 7 6 95 0 + 4 e 245 26 etot -6.5428E+01 mv 6 7 6 75 0 + 4 e 240 13 etot -7.6499E+01 mv 6 7 147 4 0 c 4 48.1 1.6 + 4 e 250 12 etot -8.3776E+01 mv 6 7 147 195 0 c 147 178.4 0.4 + 4 e 257 8 etot -8.4989E+01 mv 6 7 178 151 0 c 178 2.0 0.0 + 4 e 259 3 etot -8.5523E+01 mv 6 7 178 21 0 c 178 38.7 0.5 + 4 e 277 20 etot -8.0465E+01 mv 6 7 147 32 0 + 4 e 287 16 etot -8.3970E+01 mv 6 7 147 20 0 c 147 395.7 0.2 + -1 e 1 42 etot 1.3528E+20 mv 6 7 37 148 0 + 4 e 302 14 etot -8.5015E+01 mv 6 7 147 81 0 c 147 241.3 1.0 + 4 e 331 30 etot -7.5008E+01 mv 6 7 6 30 0 f 188 600.7 7.8 + 4 e 321 22 etot -8.5149E+01 mv 6 7 6 98 0 c 98 328.6 3.4 + 4 e 320 17 etot -7.2065E+01 mv 6 7 147 27 0 + 4 e 329 9 etot -7.3475E+01 mv 6 7 178 129 0 c 129 276.3 1.5 + -1 e 1 48 etot 1.3528E+20 mv 6 7 37 48 0 + 4 e 330 7 etot 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101 103 0 c 101 43.3 1.5 + 4 e 229 58 etot -7.8602E+01 mv 6 7 101 91 0 + 4 e 448 38 etot -7.4522E+01 mv 6 7 191 90 0 f 133 638.2 6.8 + 4 e 363 44 etot -8.6516E+01 mv 6 7 37 142 0 c 37 2.4 0.0 + 4 e 215 46 etot -8.6517E+01 mv 6 7 37 141 0 c 37 2.6 0.0 + 4 e 568 23 etot -7.5247E+01 mv 6 7 6 56 0 + -1 e 1 70 etot 1.3528E+20 mv 6 7 200 22 0 + 4 e 328 35 etot -7.2068E+01 mv 6 7 191 122 0 + 4 e 556 25 etot -7.5894E+01 mv 6 7 6 114 0 + 4 e 150 61 etot -7.0606E+01 mv 6 7 200 86 0 + 4 e 560 29 etot -8.1981E+01 mv 6 7 6 166 0 c 6 289.2 0.1 + 4 e 260 45 etot -8.6516E+01 mv 6 7 37 129 0 + -1 e 1 79 etot 1.3528E+20 mv 6 7 98 134 0 + -1 e 1 81 etot 1.3528E+20 mv 6 7 164 137 0 + 4 e 275 54 etot -6.7172E+01 mv 6 7 101 171 0 + 4 e 347 43 etot -8.5157E+01 mv 6 7 37 93 0 + -1 e 1 83 etot 3.5955E+23 mv 6 7 164 3 0 + 4 e 272 53 etot -7.2776E+01 mv 6 7 101 41 0 + 4 e 623 19 etot -7.7733E+01 mv 6 7 147 128 0 + 4 e 346 47 etot -7.3352E+01 mv 6 7 37 18 0 c 18 209.5 0.0 + 4 e 222 62 etot -7.1584E+01 mv 6 7 200 9 0 + 4 e 104 69 etot -8.0139E+01 mv 6 7 200 154 0 + 4 e 477 56 etot -7.6256E+01 mv 6 7 101 135 0 + 4 e 462 50 etot -7.5125E+01 mv 6 7 37 39 0 + 4 e 187 85 etot -7.9643E+01 mv 6 7 164 83 0 + 4 e 135 76 etot -8.0630E+01 mv 6 7 98 3 0 + 4 e 216 66 etot -6.9069E+01 mv 6 7 200 186 0 + -1 e 1 95 etot 1.3528E+20 mv 6 7 157 66 0 + 4 e 366 55 etot -8.1615E+01 mv 6 7 101 85 0 + 4 e 207 87 etot -8.0324E+01 mv 6 7 164 20 0 c 20 2.3 0.0 + 4 e 568 51 etot -7.6526E+01 mv 6 7 101 82 0 f 51 532.8 8.7 + 4 e 158 74 etot -8.1695E+01 mv 6 7 98 124 0 + 4 e 450 52 etot -7.6234E+01 mv 6 7 101 40 0 + 4 e 295 67 etot -7.6880E+01 mv 6 7 200 98 0 + -1 e 1 102 etot 1.3528E+20 mv 6 7 117 179 0 + 4 e 231 65 etot -7.8624E+01 mv 6 7 200 159 0 + 4 e 306 64 etot -7.8227E+01 mv 6 7 200 181 0 + -1 e 1 105 etot 1.3528E+20 mv 6 7 117 83 0 + 4 e 217 78 etot -6.0884E+01 mv 6 7 98 56 0 + 4 e 310 75 etot -7.3252E+01 mv 6 7 98 41 0 f 42 566.1 5.4 + 4 e 318 72 etot -8.7566E+01 mv 6 7 98 62 0 c 98 263.4 2.4 + 4 e 298 91 etot 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mv 6 7 117 77 0 + 4 e 729 63 etot -6.3979E+01 mv 6 7 200 176 0 + 4 e 333 73 etot -8.7565E+01 mv 6 7 98 27 0 + 4 e 295 109 etot -7.1342E+01 mv 6 7 117 13 0 c 13 167.8 1.0 + 4 e 204 107 etot -7.0225E+01 mv 6 7 117 67 0 + 4 e 170 114 etot -7.3171E+01 mv 6 7 132 165 0 + 4 e 612 89 etot -7.6739E+01 mv 6 7 164 196 0 + -1 e 1 135 etot 1.3528E+20 mv 6 7 169 74 0 + 4 e 207 121 etot -8.3992E+01 mv 6 7 52 187 0 c 52 2.3 0.0 + 4 e 160 130 etot -7.5031E+01 mv 6 7 52 37 0 + 4 e 154 126 etot -8.4244E+01 mv 6 7 52 7 0 c 52 16.8 0.3 + 4 e 264 125 etot -8.2224E+01 mv 6 7 52 70 0 + -1 e 1 140 etot 1.0396E+20 mv 6 7 169 193 0 + 4 e 407 108 etot -7.5296E+01 mv 6 7 117 178 0 + 4 e 279 113 etot -7.8918E+01 mv 6 7 132 88 0 + 4 e 215 129 etot -8.2225E+01 mv 6 7 52 152 0 + 4 e 477 104 etot -7.3196E+01 mv 6 7 117 192 0 + 4 e 317 115 etot -7.4775E+01 mv 6 7 132 193 0 + 4 e 167 134 etot -8.1156E+01 mv 6 7 169 157 0 c 157 2.7 0.0 + 4 e 365 97 etot -7.0373E+01 mv 6 7 157 34 0 f 124 592.4 2.3 + 4 e 357 127 etot 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397 175 etot -7.8593E+01 mv 6 7 100 118 0 c 118 281.2 7.3 + -1 e 1 209 etot 1.3528E+20 mv 2 7 147 -118 0 + 4 e 600 157 etot -8.2342E+01 mv 6 7 5 103 0 + 4 e 173 193 etot -7.5583E+01 mv 6 7 69 106 0 c 106 220.8 6.6 + 4 e 357 181 etot -6.7277E+01 mv 6 7 2 134 0 + 4 e 412 159 etot -8.1019E+01 mv 6 7 5 26 0 + 4 e 141 194 etot -7.2793E+01 mv 6 7 69 77 0 + 4 e 444 173 etot -7.6346E+01 mv 6 7 100 60 0 f 108 524.6 8.2 + 4 e 328 189 etot -7.1679E+01 mv 6 7 2 83 0 c 186 380.2 0.1 + 4 e 433 182 etot -6.7275E+01 mv 6 7 2 158 0 + -1 e 1 218 etot 1.3528E+20 mv 2 7 191 -47 0 + 4 e 460 177 etot -7.0149E+01 mv 6 7 100 171 0 c 187 498.2 1.5 + 4 e 395 164 etot -7.7005E+01 mv 6 7 86 136 0 + 4 e 395 187 etot -7.3879E+01 mv 6 7 2 3 0 + 4 e 388 171 etot -7.5319E+01 mv 6 7 100 108 0 c 54 346.7 6.1 + 4 e 347 192 etot -7.1270E+01 mv 6 7 69 39 0 + 4 e 514 180 etot -7.7443E+01 mv 6 7 100 125 0 + 4 e 152 210 etot -8.3344E+01 mv 2 7 147 -135 0 + 4 e 322 183 etot -6.8685E+01 mv 6 7 2 82 0 + 4 e 155 211 etot 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252 244 etot -8.1174E+01 mv 2 7 164 -126 0 + 4 e 321 223 etot -8.4650E+01 mv 2 7 37 -76 0 + 4 e 213 243 etot -6.4656E+01 mv 2 7 164 -127 0 + 4 e 373 241 etot -7.5354E+01 mv 2 7 164 -2 0 c 189 490.0 3.3 + 4 e 474 214 etot -6.7042E+01 mv 2 7 6 -67 0 + 4 e 634 217 etot -8.7675E+01 mv 2 7 191 -197 0 + 4 e 398 230 etot -8.1345E+01 mv 2 7 101 -139 0 + 4 e 528 233 etot -7.5858E+01 mv 2 7 200 -60 0 c 183 413.1 5.1 + 4 e 647 222 etot -8.2629E+01 mv 2 7 37 -130 0 + 4 e 214 253 etot -6.6072E+01 mv 2 7 117 -177 0 + 4 e 222 252 etot -6.8470E+01 mv 2 7 117 -17 0 + 4 e 268 255 etot -6.0951E+01 mv 2 7 117 -196 0 + 4 e 232 249 etot -8.1156E+01 mv 2 7 157 -43 0 + 4 e 464 245 etot -6.0972E+01 mv 2 7 164 -149 0 + 4 e 294 265 etot -7.9235E+01 mv 2 7 52 -113 0 + 4 e 310 248 etot -7.7399E+01 mv 2 7 157 -109 0 + 4 e 316 251 etot -8.0260E+01 mv 2 7 117 -112 0 + 4 e 330 247 etot -7.5653E+01 mv 2 7 157 -195 0 + 4 e 324 264 etot -7.9808E+01 mv 2 7 52 -167 0 + 4 e 333 262 etot -8.3976E+01 mv 2 7 52 -117 0 c 53 369.1 5.6 + 4 e 178 269 etot -7.8053E+01 mv 2 7 169 -182 0 + 4 e 282 268 etot -8.2724E+01 mv 2 7 169 -23 0 + 4 e 216 271 etot -7.3705E+01 mv 2 7 35 -170 0 + 4 e 520 227 etot -7.9463E+01 mv 2 7 101 -89 0 c 58 474.1 1.3 + 4 e 255 260 etot -7.4657E+01 mv 2 7 132 -150 0 + -1 e 1 292 etot 1.3528E+20 mv 2 7 2 -51 0 + -1 e 1 293 etot 1.3528E+20 mv 2 7 2 -128 0 + 4 e 217 277 etot -6.5271E+01 mv 2 7 5 -84 0 + 4 e 582 246 etot -7.9989E+01 mv 2 7 157 -189 0 + 4 e 203 272 etot -6.5830E+01 mv 2 7 35 -7 0 + 4 e 317 259 etot -7.1531E+01 mv 2 7 132 -51 0 + 4 e 353 256 etot -6.6989E+01 mv 2 7 132 -165 0 + 4 e 186 287 etot -6.1416E+01 mv 2 7 100 -54 0 + 4 e 521 258 etot -7.6418E+01 mv 2 7 132 -175 0 + 4 e 535 254 etot -7.2512E+01 mv 2 7 117 -198 0 + -1 e 1 302 etot 1.3528E+20 mv 1 7 178 -40 0 + 4 e 318 278 etot -6.9561E+01 mv 2 7 5 -105 0 + 4 e 271 280 etot -7.3596E+01 mv 2 7 5 -107 0 c 175 123.7 0.3 + 4 e 241 284 etot -7.0332E+01 mv 2 7 86 -146 0 + 4 e 386 266 etot -6.6578E+01 mv 2 7 169 -31 0 + 4 e 255 285 etot -7.9234E+01 mv 2 7 86 -171 0 + 4 e 267 283 etot -7.6509E+01 mv 2 7 86 -179 0 + 4 e 299 282 etot -6.7469E+01 mv 2 7 86 -85 0 + 4 e 385 276 etot -7.2892E+01 mv 2 7 5 -38 0 + 4 e 373 275 etot -8.1581E+01 mv 2 7 35 -144 0 + 4 e 325 270 etot -7.9967E+01 mv 2 7 169 -151 0 + 4 e 261 290 etot -6.1101E+01 mv 2 7 100 -61 0 + 4 e 273 286 etot -6.8383E+01 mv 2 7 100 -89 0 + 4 e 409 267 etot -7.1584E+01 mv 2 7 169 -90 0 + 4 e 349 279 etot -7.9166E+01 mv 2 7 5 -16 0 + 4 e 439 273 etot -7.0329E+01 mv 2 7 35 -181 0 f 119 555.2 2.0 + 4 e 438 257 etot -6.9875E+01 mv 2 7 132 -20 0 + -1 e 1 319 etot 1.3528E+20 mv 1 7 191 -197 0 + 4 e 451 261 etot -8.3989E+01 mv 2 7 52 -99 0 + 4 e 363 281 etot -7.4689E+01 mv 2 7 86 -150 0 f 176 589.9 6.2 + 8 e 360 289 etot -6.3989E+01 mv 2 7 100 -86 0 + 4 e 201 300 etot -7.6474E+01 mv 2 7 69 -74 0 + 4 e 294 295 etot -7.6938E+01 mv 2 7 2 -171 0 + 4 e 318 296 etot -7.3241E+01 mv 2 7 69 -121 0 + 4 e 221 305 etot -8.5018E+01 mv 1 7 178 -171 0 + 4 e 210 310 etot -8.3344E+01 mv 1 7 147 -134 0 + 4 e 249 297 etot -7.2963E+01 mv 2 7 69 -12 0 + 4 e 165 316 etot -8.7530E+01 mv 1 7 191 -93 0 + 4 e 251 299 etot -7.2610E+01 mv 2 7 69 -88 0 + 4 e 332 301 etot -8.4988E+01 mv 1 7 178 -181 0 + 4 e 161 320 etot -8.5978E+01 mv 1 7 191 -154 0 + 4 e 341 304 etot -8.2573E+01 mv 1 7 178 -127 0 + 4 e 278 312 etot -8.1140E+01 mv 1 7 6 -152 0 + 4 e 339 306 etot -7.5333E+01 mv 1 7 147 -114 0 + 4 e 286 315 etot -7.7965E+01 mv 1 7 6 -164 0 c 104 404.3 3.8 + 4 e 363 294 etot -7.0521E+01 mv 2 7 2 -99 0 + 4 e 348 309 etot -8.3342E+01 mv 1 7 147 -4 0 + 4 e 180 321 etot -8.6517E+01 mv 1 7 37 -32 0 c 37 1.5 0.0 + 4 e 297 318 etot -8.6356E+01 mv 1 7 191 -130 0 + 4 e 342 314 etot -8.1761E+01 mv 1 7 6 -50 0 + 4 e 373 308 etot -7.3210E+01 mv 1 7 147 -58 0 f 150 568.9 4.7 + 4 e 348 298 etot -7.1078E+01 mv 2 7 69 -146 0 + 4 e 274 325 etot -8.6516E+01 mv 1 7 37 -51 0 + 4 e 310 323 etot -7.7290E+01 mv 1 7 37 -110 0 + 4 e 427 311 etot -8.1520E+01 mv 1 7 6 -97 0 + -1 e 1 347 etot 1.3528E+20 mv 1 7 157 -44 0 + 4 e 413 317 etot -7.6434E+01 mv 1 7 191 -71 0 + 4 e 480 291 etot -7.1732E+01 mv 2 7 2 -5 0 + 4 e 536 303 etot -8.3295E+01 mv 1 7 178 -143 0 + 4 e 286 328 etot -8.1347E+01 mv 1 7 101 -107 0 + 4 e 234 336 etot -8.1766E+01 mv 1 7 98 -183 0 + -1 e 1 353 etot 1.3528E+20 mv 1 7 117 -57 0 + 4 e 227 329 etot -8.1566E+01 mv 1 7 101 -178 0 + 4 e 255 335 etot -8.1246E+01 mv 1 7 200 -142 0 c 200 0.9 0.0 + 4 e 233 339 etot -7.5493E+01 mv 1 7 98 -129 0 + 4 e 209 331 etot -8.1246E+01 mv 1 7 200 -96 0 + 4 e 136 349 etot -6.5338E+01 mv 1 7 157 -77 0 + 4 e 402 327 etot -7.9494E+01 mv 1 7 101 -174 0 + 4 e 676 274 etot -8.1056E+01 mv 2 7 35 -80 0 c 94 478.3 2.0 + 4 e 506 324 etot -8.5647E+01 mv 1 7 37 -126 0 + -1 e 1 362 etot 1.3528E+20 mv 1 7 52 -35 0 + 4 e 317 341 etot -8.0170E+01 mv 1 7 164 -40 0 + 4 e 245 346 etot -8.1156E+01 mv 1 7 157 -35 0 + 4 e 257 345 etot -7.3823E+01 mv 1 7 164 -87 0 c 123 344.6 4.8 + 4 e 613 322 etot -7.8614E+01 mv 1 7 37 -110 0 + 4 e 286 330 etot -8.1347E+01 mv 1 7 101 -34 0 + 4 e 471 313 etot -6.7282E+01 mv 1 7 6 -124 0 + 4 e 360 342 etot -7.8508E+01 mv 1 7 164 -172 0 c 148 392.0 1.1 + 4 e 267 340 etot -7.5149E+01 mv 1 7 98 -161 0 f 38 524.8 6.5 + 4 e 515 307 etot -7.4224E+01 mv 1 7 147 -133 0 + 4 e 448 334 etot -8.1244E+01 mv 1 7 200 -37 0 + 4 e 597 326 etot -7.8488E+01 mv 1 7 101 -39 0 + 4 e 696 288 etot -7.7611E+01 mv 2 7 100 -160 0 + -1 e 1 375 etot 3.7144E+20 mv 1 7 35 -42 0 + 4 e 303 338 etot -8.0530E+01 mv 1 7 98 -85 0 + 4 e 433 343 etot -6.7224E+01 mv 1 7 164 -179 0 + 4 e 522 332 etot -7.6935E+01 mv 1 7 200 -84 0 + 4 e 123 370 etot -8.0155E+01 mv 1 7 169 -46 0 + 4 e 536 337 etot -7.9062E+01 mv 1 7 98 -75 0 f 59 554.9 10.3 + 4 e 199 366 etot -8.2793E+01 mv 1 7 169 -61 0 + 4 e 210 367 etot -6.3370E+01 mv 1 7 169 -157 0 + 4 e 443 351 etot -7.9199E+01 mv 1 7 117 -180 0 + 4 e 355 356 etot -7.2237E+01 mv 1 7 132 -179 0 + 4 e 339 360 etot -7.8917E+01 mv 1 7 132 -131 0 + 4 e 282 363 etot -8.5635E+01 mv 1 7 52 -25 0 c 52 64.5 1.3 + 4 e 532 348 etot -6.2827E+01 mv 1 7 157 -55 0 + 4 e 464 333 etot -6.8986E+01 mv 1 7 200 -37 0 f 75 562.6 0.2 + 4 e 300 365 etot -8.2818E+01 mv 1 7 52 -177 0 + 4 e 211 368 etot -7.1924E+01 mv 1 7 169 -52 0 + 4 e 435 357 etot -7.5539E+01 mv 1 7 132 -123 0 + 4 e 372 350 etot -8.1154E+01 mv 1 7 157 -173 0 + 4 e 526 354 etot -8.1014E+01 mv 1 7 117 -50 0 c 117 65.1 0.3 + 4 e 583 352 etot -6.8877E+01 mv 1 7 117 -121 0 + -1 e 1 395 etot 1.3528E+20 mv 1 7 2 -161 0 + 4 e 255 369 etot -8.2793E+01 mv 1 7 169 -145 0 + 4 e 330 373 etot -5.4073E+01 mv 1 7 35 -108 0 + 4 e 419 364 etot -7.7581E+01 mv 1 7 52 -1 0 + 4 e 527 359 etot -7.2500E+01 mv 1 7 132 -15 0 f 109 577.2 3.6 + 4 e 331 378 etot -6.9347E+01 mv 1 7 5 -29 0 f 75 604.5 0.4 + 4 e 271 380 etot -5.6929E+01 mv 1 7 5 -79 0 + 4 e 380 374 etot -7.2785E+01 mv 1 7 35 -176 0 + 4 e 309 381 etot -7.8752E+01 mv 1 7 86 -51 0 + 4 e 96 396 etot -7.6474E+01 mv 1 7 69 -109 0 c 69 1.5 0.0 + 4 e 368 379 etot -8.2342E+01 mv 1 7 5 -183 0 c 5 2.2 0.0 + 4 e 295 384 etot -6.7140E+01 mv 1 7 86 -171 0 + 4 e 328 382 etot -6.3401E+01 mv 1 7 86 -184 0 + 4 e 598 344 etot -7.6945E+01 mv 1 7 164 -171 0 c 123 293.1 3.1 + 4 e 322 377 etot -7.7553E+01 mv 1 7 5 -32 0 + 4 e 370 371 etot -8.3192E+01 mv 1 7 35 -199 0 + 4 e 157 403 etot -8.1833E+01 mv 0 7 6 0 0 + 4 e 207 399 etot -7.6696E+01 mv 1 7 69 -81 0 c 69 56.5 0.2 + 4 e 174 401 etot -8.4989E+01 mv 0 7 178 0 0 + 4 e 341 388 etot -7.6243E+01 mv 1 7 100 -3 0 + 4 e 176 402 etot -8.3344E+01 mv 0 7 147 0 0 + 4 e 145 404 etot -8.7530E+01 mv 0 7 191 0 0 + 4 e 137 406 etot -8.1348E+01 mv 0 7 101 0 0 + 4 e 440 383 etot -6.3319E+01 mv 1 7 86 -2 0 + 4 e 145 405 etot -8.6517E+01 mv 0 7 37 0 0 c 37 0.6 0.0 +## N0 total= 22 close= 6 far= 0 %acc 27.3 +## N1 total= 98 close= 11 far= 6 %acc 17.3 +## N2 total= 100 close= 9 far= 4 %acc 13.0 +## N3 total= 0 close= 0 far= 0 %acc 0.0 +## N4 total= 0 close= 0 far= 0 %acc 0.0 +## N5 total= 0 close= 0 far= 0 %acc 0.0 +## N6 total= 200 close= 50 far= 12 %acc 31.0 +## N7 total= 0 close= 0 far= 0 %acc 0.0 +## N8 total= 0 close= 0 far= 0 %acc 0.0 +## N9 total= 0 close= 0 far= 0 %acc 0.0 +##N10 total= 0 close= 0 far= 0 %acc 0.0 +##N11 total= 0 close= 0 far= 0 %acc 0.0 +##N12 total= 0 close= 0 far= 0 %acc 0.0 +##N13 total= 0 close= 0 far= 0 %acc 0.0 +##N14 total= 0 close= 0 far= 0 %acc 0.0 +##N15 total= 0 close= 0 far= 0 %acc 0.0 +##N16 total= 0 close= 0 far= 0 %acc 0.0 +##N17 total= 0 close= 0 far= 0 %acc 0.0 +##N18 total= 0 close= 0 far= 0 %acc 0.0 + Time for refresh 8 0.27 + make_var : nseed= 20 ntry= 420 + Time for make trial 9 0.07 +Nonsetup time 18.03 sec, Eval/s = 64397.75 +Time for iter 9 1.88 sec, Eval/s = 68111.93 + UPDATING 420 + 4 e 638 387 etot -6.1010E+01 mv 1 7 100 -152 0 + 4 e 79 414 etot -8.2793E+01 mv 0 7 169 0 0 c 169 0.7 0.0 + 4 e 126 419 etot -7.7076E+01 mv 0 7 2 0 0 c 2 1.2 0.0 + 4 e 471 392 etot -7.6225E+01 mv 1 7 2 -156 0 + 4 e 70 420 etot -7.6474E+01 mv 0 7 69 0 0 + 4 e 120 413 etot -8.3992E+01 mv 0 7 52 0 0 + 4 e 382 386 etot 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etot -7.7384E+01 mv 1 7 100 -145 0 + 4 e 571 397 etot -7.0490E+01 mv 1 7 69 -157 0 + 4 e 170 409 etot -8.1175E+01 mv 0 7 164 0 0 c 123 165.9 4.2 + -1 e 1 22 etot 1.3528E+20 mv 6 8 52 128 0 + 4 e 167 410 etot -8.1156E+01 mv 0 7 157 0 0 + 4 e 522 372 etot -7.5119E+01 mv 1 7 35 -144 0 f 143 510.4 5.9 + 4 e 107 411 etot -8.0674E+01 mv 0 7 117 0 0 + 4 e 41 12 etot -7.4263E+01 mv 6 8 98 41 0 c 41 0.3 0.0 + 4 e 105 14 etot -7.0081E+01 mv 6 8 98 140 0 c 140 1.6 0.0 + 4 e 137 19 etot -7.2464E+01 mv 6 8 98 181 0 + 4 e 171 25 etot -8.4773E+01 mv 6 8 52 3 0 c 3 85.8 1.2 + 4 e 182 8 etot -7.6667E+01 mv 6 8 90 123 0 c 90 91.9 1.4 + 4 e 207 27 etot -7.6110E+01 mv 6 8 52 154 0 + 4 e 204 6 etot -7.5239E+01 mv 6 8 90 92 0 + 4 e 245 13 etot -8.4862E+01 mv 6 8 98 70 0 + 4 e 197 23 etot -7.1040E+01 mv 6 8 52 78 0 + 4 e 202 30 etot -8.4176E+01 mv 6 8 52 93 0 + 4 e 234 11 etot -8.7566E+01 mv 6 8 98 168 0 c 98 2.9 0.0 + 4 e 241 18 etot -7.4924E+01 mv 6 8 98 170 0 c 170 282.3 3.2 + 4 e 232 31 etot -7.6000E+01 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-8.0668E+01 mv 6 8 121 101 0 + 4 e 304 64 etot -8.1447E+01 mv 6 8 3 139 0 + 4 e 290 69 etot -8.3707E+01 mv 6 8 3 60 0 + 4 e 259 70 etot -8.3652E+01 mv 6 8 3 102 0 + 4 e 223 73 etot -7.1170E+01 mv 6 8 178 15 0 + 4 e 187 77 etot -6.6974E+01 mv 6 8 178 187 0 + 4 e 172 80 etot -7.1053E+01 mv 6 8 178 34 0 + 4 e 450 43 etot -7.8418E+01 mv 6 8 121 118 0 c 48 20.8 0.3 + 4 e 490 60 etot -7.8999E+01 mv 6 8 35 31 0 c 60 430.8 0.5 + 4 e 146 78 etot -7.3748E+01 mv 6 8 178 38 0 + 4 e 366 56 etot -7.5379E+01 mv 6 8 35 54 0 c 54 12.9 0.1 + 4 e 407 53 etot -8.5297E+01 mv 6 8 35 177 0 + 4 e 476 65 etot -8.4262E+01 mv 6 8 3 52 0 c 14 267.4 1.5 + 4 e 515 63 etot -7.5195E+01 mv 6 8 3 30 0 + 4 e 408 57 etot -8.8740E+01 mv 6 8 35 154 0 c 136 294.7 1.2 + 4 e 368 71 etot -8.1979E+01 mv 6 8 178 53 0 + 4 e 453 68 etot -7.8591E+01 mv 6 8 3 104 0 + 8 e 193 94 etot -6.3996E+01 mv 6 8 117 128 0 + 4 e 214 85 etot -6.7288E+01 mv 6 8 164 76 0 + 4 e 112 90 etot -8.5636E+01 mv 6 8 164 52 0 c 52 0.9 0.0 + 4 e 248 89 etot -7.2932E+01 mv 6 8 164 16 0 + 4 e 90 93 etot -7.8116E+01 mv 6 8 117 199 0 c 199 1.0 0.0 + 4 e 302 82 etot -7.4966E+01 mv 6 8 164 195 0 c 195 357.3 0.0 + 4 e 321 72 etot -8.4560E+01 mv 6 8 178 52 0 + 4 e 172 84 etot -7.3262E+01 mv 6 8 164 128 0 + -1 e 1 104 etot 1.3528E+20 mv 6 8 147 145 0 + 4 e 203 86 etot -7.0997E+01 mv 6 8 164 109 0 f 174 528.3 1.7 + 4 e 540 49 etot -7.8639E+01 mv 6 8 121 179 0 + -1 e 1 111 etot 1.3528E+20 mv 6 8 47 67 0 + 4 e 438 76 etot -7.5364E+01 mv 6 8 178 108 0 c 27 213.3 0.1 + 4 e 364 87 etot -7.1081E+01 mv 6 8 164 87 0 c 116 478.0 1.0 + -1 e 1 118 etot 1.3528E+20 mv 6 8 47 73 0 + -1 e 1 119 etot 1.3528E+20 mv 6 8 47 45 0 + 4 e 497 74 etot -7.9033E+01 mv 6 8 178 50 0 + -1 e 1 121 etot 1.3528E+20 mv 6 8 132 148 0 + 4 e 476 79 etot -7.4812E+01 mv 6 8 178 189 0 f 146 529.9 5.5 + 4 e 286 96 etot -7.8719E+01 mv 6 8 117 200 0 + 4 e 232 101 etot -6.4159E+01 mv 6 8 147 44 0 + 4 e 752 39 etot -8.0047E+01 mv 6 8 21 127 0 c 127 446.6 0.7 + 4 e 559 75 etot -7.8836E+01 mv 6 8 178 197 0 c 48 317.8 0.4 + 4 e 371 92 etot -8.2430E+01 mv 6 8 117 9 0 c 117 223.4 1.4 + 4 e 314 88 etot -7.9352E+01 mv 6 8 164 40 0 c 174 302.9 8.4 + 4 e 348 81 etot -7.4280E+01 mv 6 8 164 35 0 f 75 521.1 4.9 + 4 e 202 116 etot -6.9628E+01 mv 6 8 47 109 0 + 4 e 352 100 etot -7.2370E+01 mv 6 8 117 179 0 + 4 e 240 97 etot -8.5804E+01 mv 6 8 117 136 0 + 4 e 219 107 etot -7.4749E+01 mv 6 8 147 174 0 + 4 e 237 106 etot -8.1235E+01 mv 6 8 147 9 0 + 4 e 269 103 etot -7.0572E+01 mv 6 8 147 75 0 f 78 560.9 1.2 + 4 e 296 113 etot -7.2855E+01 mv 6 8 47 95 0 f 144 560.1 3.5 + 4 e 325 102 etot -7.8199E+01 mv 6 8 147 89 0 c 78 356.1 7.6 + 4 e 335 120 etot -7.4144E+01 mv 6 8 47 134 0 + 4 e 239 115 etot -6.7686E+01 mv 6 8 47 123 0 + 4 e 96 136 etot -7.1583E+01 mv 6 8 107 20 0 + 4 e 354 105 etot -8.3939E+01 mv 6 8 147 11 0 + -1 e 1 142 etot 1.3528E+20 mv 6 8 57 145 0 + 4 e 384 99 etot -7.6352E+01 mv 6 8 117 158 0 + 4 e 296 125 etot -7.7075E+01 mv 6 8 132 2 0 + 4 e 297 127 etot -7.7552E+01 mv 6 8 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652.7 5.3 + 4 e 329 129 etot -7.0029E+01 mv 6 8 132 40 0 + 4 e 329 137 etot -6.6223E+01 mv 6 8 107 195 0 + 4 e 284 130 etot -6.5539E+01 mv 6 8 132 193 0 + 4 e 232 145 etot -7.7438E+01 mv 6 8 57 181 0 + 4 e 225 147 etot -7.2665E+01 mv 6 8 57 17 0 + 4 e 281 143 etot -7.6607E+01 mv 6 8 57 19 0 f 177 559.3 6.6 + 4 e 454 114 etot -8.0793E+01 mv 6 8 47 198 0 c 47 2.2 0.0 + 4 e 247 152 etot -6.8196E+01 mv 6 8 159 175 0 + 4 e 285 146 etot -7.4102E+01 mv 6 8 57 84 0 f 74 516.7 4.1 + 4 e 367 139 etot -6.4606E+01 mv 6 8 107 87 0 + 4 e 189 150 etot -7.6710E+01 mv 6 8 57 10 0 + 4 e 279 156 etot -7.9465E+01 mv 6 8 159 58 0 c 58 8.5 0.0 + 4 e 209 160 etot -6.9050E+01 mv 6 8 159 101 0 + 4 e 266 158 etot -7.7029E+01 mv 6 8 159 89 0 + 4 e 132 169 etot -6.5081E+01 mv 6 8 193 195 0 + 4 e 161 167 etot -6.3983E+01 mv 6 8 193 36 0 + 4 e 343 155 etot -7.9343E+01 mv 6 8 159 157 0 + 4 e 362 157 etot -7.8008E+01 mv 6 8 159 14 0 c 159 370.8 0.9 + 4 e 406 133 etot -7.5293E+01 mv 6 8 107 164 0 + 4 e 341 138 etot -7.5452E+01 mv 6 8 107 172 0 + 4 e 489 141 etot -8.1154E+01 mv 6 8 57 44 0 + 4 e 598 135 etot -8.1681E+01 mv 6 8 107 2 0 c 107 370.4 3.5 + 8 e 2 184 etot -6.3998E+01 mv 6 8 58 55 0 + 4 e 315 161 etot -7.8115E+01 mv 6 8 193 156 0 c 193 118.0 1.4 + 4 e 440 151 etot -7.5157E+01 mv 6 8 159 91 0 + 4 e 489 148 etot -6.9051E+01 mv 6 8 57 181 0 + 4 e 257 171 etot -7.1745E+01 mv 6 8 161 129 0 + 4 e 609 112 etot -8.4005E+01 mv 6 8 47 128 0 c 47 353.0 3.2 + 4 e 377 144 etot -7.4876E+01 mv 6 8 57 170 0 + 4 e 187 181 etot -6.7156E+01 mv 6 8 58 92 0 + 4 e 237 166 etot -7.9701E+01 mv 6 8 193 3 0 + 4 e 406 164 etot -7.1623E+01 mv 6 8 193 30 0 + 4 e 282 162 etot -6.9126E+01 mv 6 8 193 49 0 + 8 e 304 174 etot -6.3999E+01 mv 6 8 161 124 0 + 4 e 114 185 etot -7.6529E+01 mv 6 8 58 51 0 c 51 3.2 0.0 + 4 e 414 165 etot -7.6888E+01 mv 6 8 193 157 0 + 4 e 161 187 etot -6.7740E+01 mv 6 8 58 105 0 + 4 e 330 175 etot -7.7362E+01 mv 6 8 161 159 0 c 161 203.8 0.7 + 8 e 2 203 etot -6.3992E+01 mv 2 8 90 -159 0 + 4 e 427 170 etot -6.9139E+01 mv 6 8 193 148 0 + 4 e 329 178 etot -7.9613E+01 mv 6 8 161 86 0 c 161 136.9 2.3 + 4 e 340 163 etot -7.5631E+01 mv 6 8 193 71 0 + 4 e 377 177 etot -7.6402E+01 mv 6 8 161 113 0 + 4 e 329 172 etot -7.3812E+01 mv 6 8 161 179 0 + -1 e 1 209 etot 1.3528E+20 mv 2 8 98 -87 0 + 4 e 467 173 etot -7.7431E+01 mv 6 8 161 148 0 + 4 e 343 183 etot -6.6248E+01 mv 6 8 58 85 0 + 4 e 321 168 etot -8.0197E+01 mv 6 8 193 86 0 c 86 4.2 0.0 + 4 e 212 188 etot -7.9465E+01 mv 6 8 58 175 0 + 4 e 410 180 etot -7.6701E+01 mv 6 8 161 172 0 + 4 e 223 195 etot -7.8116E+01 mv 6 8 199 71 0 + 4 e 335 176 etot -7.4385E+01 mv 6 8 161 185 0 + 4 e 594 140 etot -7.6608E+01 mv 6 8 107 187 0 f 140 652.4 6.5 + 4 e 318 191 etot -7.7285E+01 mv 6 8 199 83 0 c 83 254.5 1.4 + -1 e 1 219 etot 1.3528E+20 mv 2 8 21 -81 0 + 4 e 164 205 etot -7.5239E+01 mv 2 8 90 -196 0 + 4 e 218 199 etot -7.6462E+01 mv 6 8 199 125 0 + 4 e 330 192 etot -8.2678E+01 mv 6 8 199 35 0 c 26 388.4 1.9 + 4 e 469 159 etot -7.6188E+01 mv 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222 etot -6.2683E+01 mv 2 8 121 -76 0 + 4 e 107 235 etot -8.3535E+01 mv 2 8 3 -101 0 + 4 e 211 217 etot -6.1119E+01 mv 2 8 21 -130 0 + 4 e 305 207 etot -6.8614E+01 mv 2 8 98 -37 0 + 4 e 446 208 etot -7.2648E+01 mv 2 8 98 -184 0 f 130 538.0 2.1 + -1 e 1 247 etot 4.3486E+28 mv 2 8 117 -43 0 + 4 e 196 234 etot -7.5953E+01 mv 2 8 3 -139 0 + 4 e 202 233 etot -7.1233E+01 mv 2 8 3 -75 0 + 4 e 238 224 etot -7.0225E+01 mv 2 8 121 -46 0 + 4 e 404 200 etot -8.7001E+01 mv 6 8 199 17 0 + 4 e 331 226 etot -7.8252E+01 mv 2 8 35 -29 0 + -1 e 1 253 etot 1.3528E+20 mv 2 8 147 -104 0 + 4 e 425 198 etot -8.0668E+01 mv 6 8 199 23 0 + 4 e 188 239 etot -7.0357E+01 mv 2 8 178 -111 0 + 4 e 145 244 etot -6.2702E+01 mv 2 8 164 -73 0 + -1 e 1 257 etot 1.3528E+20 mv 2 8 47 -192 0 + 4 e 246 236 etot -8.5539E+01 mv 2 8 178 -5 0 c 178 2.6 0.0 + 4 e 163 243 etot -6.6814E+01 mv 2 8 164 -116 0 + 4 e 273 225 etot -8.3606E+01 mv 2 8 121 -67 0 + 4 e 374 228 etot -7.6707E+01 mv 2 8 35 -64 0 + 4 e 279 238 etot -7.1240E+01 mv 2 8 178 -30 0 f 126 542.2 0.7 + 4 e 388 229 etot -8.3337E+01 mv 2 8 35 -177 0 c 198 447.0 10.2 + 4 e 428 227 etot -7.3008E+01 mv 2 8 35 -42 0 f 102 683.2 2.4 + 4 e 410 232 etot -6.9464E+01 mv 2 8 3 -53 0 + 4 e 568 194 etot -7.1235E+01 mv 6 8 199 155 0 f 145 576.1 0.5 + 4 e 374 237 etot -6.5982E+01 mv 2 8 178 -128 0 + -1 e 1 268 etot 1.3528E+20 mv 2 8 107 -119 0 + 4 e 535 223 etot -8.0042E+01 mv 2 8 121 -137 0 + 4 e 154 256 etot -6.4154E+01 mv 2 8 47 -32 0 + 4 e 222 250 etot -7.0776E+01 mv 2 8 117 -30 0 + 4 e 669 212 etot -8.2026E+01 mv 2 8 52 -12 0 + 4 e 260 240 etot -7.4709E+01 mv 2 8 178 -27 0 + 4 e 351 242 etot -8.2629E+01 mv 2 8 164 -175 0 + 4 e 211 258 etot -6.9584E+01 mv 2 8 47 -61 0 + 4 e 511 230 etot -8.5362E+01 mv 2 8 35 -152 0 c 35 189.9 0.1 + 4 e 523 231 etot -8.1167E+01 mv 2 8 3 -77 0 + 4 e 342 248 etot -6.9351E+01 mv 2 8 117 -111 0 + 4 e 215 251 etot -8.5016E+01 mv 2 8 147 -30 0 c 147 2.5 0.0 + 4 e 370 249 etot -7.4093E+01 mv 2 8 117 -29 0 + 4 e 104 276 etot -6.8357E+01 mv 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mv 2 8 107 -152 0 f 79 504.7 1.6 + 4 e 293 299 etot -7.8116E+01 mv 2 8 199 -62 0 + 4 e 488 281 etot -7.4327E+01 mv 2 8 193 -24 0 + 4 e 399 274 etot -7.0567E+01 mv 2 8 57 -191 0 + 4 e 480 284 etot -6.6194E+01 mv 2 8 193 -105 0 + 4 e 499 282 etot -6.9101E+01 mv 2 8 193 -89 0 + 4 e 133 316 etot -8.4720E+01 mv 1 8 21 -64 0 c 21 1.1 0.0 + 4 e 219 308 etot -6.7279E+01 mv 1 8 98 -73 0 + 4 e 336 300 etot -7.5461E+01 mv 2 8 199 -75 0 + 4 e 177 313 etot -8.5636E+01 mv 1 8 52 -47 0 + 4 e 456 288 etot -6.9614E+01 mv 2 8 161 -69 0 + 4 e 257 301 etot -7.5239E+01 mv 1 8 90 -35 0 + 4 e 332 304 etot -7.5239E+01 mv 1 8 90 -9 0 + 4 e 454 280 etot -7.6631E+01 mv 2 8 159 -23 0 + 4 e 322 312 etot -8.4271E+01 mv 1 8 52 -162 0 + 4 e 339 310 etot -7.4757E+01 mv 1 8 98 -199 0 + 4 e 634 285 etot -7.7014E+01 mv 2 8 193 -31 0 + 4 e 122 331 etot -8.3535E+01 mv 1 8 3 -123 0 + 4 e 372 297 etot -6.8819E+01 mv 2 8 199 -24 0 + 4 e 485 303 etot -7.3232E+01 mv 1 8 90 -197 0 + 4 e 225 323 etot -7.1814E+01 mv 1 8 121 -91 0 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195 334 etot -8.1970E+01 mv 1 8 3 -180 0 + -1 e 1 362 etot 1.3528E+20 mv 1 8 132 -117 0 + 4 e 435 307 etot -8.2162E+01 mv 1 8 98 -33 0 + 4 e 401 314 etot -8.1466E+01 mv 1 8 52 -42 0 + 4 e 216 343 etot -7.2938E+01 mv 1 8 164 -2 0 + 4 e 415 328 etot -8.4176E+01 mv 1 8 35 -88 0 + 4 e 241 342 etot -7.7917E+01 mv 1 8 164 -136 0 + 4 e 549 298 etot -7.5559E+01 mv 2 8 199 -104 0 + 4 e 229 346 etot -8.1016E+01 mv 1 8 117 -180 0 + 4 e 238 344 etot -8.1151E+01 mv 1 8 164 -149 0 + 4 e 205 347 etot -6.7409E+01 mv 1 8 117 -17 0 + 4 e 360 320 etot -8.3574E+01 mv 1 8 21 -11 0 + 4 e 346 335 etot -8.3535E+01 mv 1 8 3 -128 0 + 4 e 369 321 etot -7.3447E+01 mv 1 8 121 -134 0 + 4 e 482 330 etot -8.5299E+01 mv 1 8 35 -145 0 + 4 e 201 351 etot -8.5016E+01 mv 1 8 147 -146 0 + 4 e 400 336 etot -8.7346E+01 mv 1 8 178 -190 0 c 178 46.8 1.8 + 4 e 280 349 etot -6.9636E+01 mv 1 8 117 -154 0 + 4 e 450 338 etot -8.5522E+01 mv 1 8 178 -93 0 + 4 e 304 352 etot -7.2991E+01 mv 1 8 147 -73 0 f 39 512.8 1.9 + 4 e 272 355 etot -8.5015E+01 mv 1 8 147 -96 0 + 4 e 446 340 etot -7.7451E+01 mv 1 8 178 -198 0 + 4 e 132 376 etot -6.8564E+01 mv 1 8 159 -105 0 + 8 e 108 378 etot -6.3994E+01 mv 1 8 159 -49 0 + 4 e 337 339 etot -8.1786E+01 mv 1 8 178 -183 0 + 4 e 682 326 etot -7.7955E+01 mv 1 8 35 -187 0 + 4 e 188 374 etot -5.6606E+01 mv 1 8 57 -90 0 + 4 e 210 356 etot -8.0794E+01 mv 1 8 47 -33 0 c 49 305.8 5.3 + 4 e 209 371 etot -7.7048E+01 mv 1 8 57 -93 0 + 4 e 413 332 etot -7.9040E+01 mv 1 8 3 -173 0 + 4 e 397 350 etot -7.6142E+01 mv 1 8 117 -136 0 + 4 e 255 357 etot -6.7722E+01 mv 1 8 47 -115 0 + 4 e 198 379 etot -7.2521E+01 mv 1 8 159 -13 0 + 4 e 300 370 etot -7.8195E+01 mv 1 8 107 -174 0 + 4 e 343 368 etot -7.4930E+01 mv 1 8 107 -134 0 c 79 383.7 2.2 + 4 e 274 377 etot -7.5169E+01 mv 1 8 159 -38 0 + 4 e 369 367 etot -5.8344E+01 mv 1 8 107 -180 0 + 4 e 393 366 etot -7.5885E+01 mv 1 8 107 -168 0 c 79 337.5 1.0 + 4 e 192 380 etot -7.6819E+01 mv 1 8 159 -136 0 + 4 e 359 372 etot -7.2787E+01 mv 1 8 57 -138 0 c 40 3.3 0.0 + 4 e 290 363 etot -7.8069E+01 mv 1 8 132 -154 0 + 4 e 453 361 etot -7.9082E+01 mv 1 8 132 -122 0 + 4 e 210 387 etot -6.8015E+01 mv 1 8 161 -25 0 + 4 e 251 375 etot -7.7528E+01 mv 1 8 57 -129 0 + 4 e 524 360 etot -7.5471E+01 mv 1 8 47 -106 0 + 4 e 250 390 etot -6.2282E+01 mv 1 8 161 -129 0 + 4 e 358 365 etot -8.0020E+01 mv 1 8 132 -127 0 + 4 e 112 403 etot -8.5636E+01 mv 0 8 52 0 0 + 4 e 95 404 etot -8.4720E+01 mv 0 8 21 0 0 c 21 1.0 0.0 + 4 e 156 401 etot -7.5239E+01 mv 0 8 90 0 0 c 163 411.8 2.1 + 4 e 520 345 etot -7.5523E+01 mv 1 8 164 -24 0 + 4 e 348 384 etot -7.7290E+01 mv 1 8 193 -8 0 + 4 e 363 381 etot -7.5595E+01 mv 1 8 193 -10 0 + 4 e 371 369 etot -7.8118E+01 mv 1 8 107 -157 0 c 79 124.7 2.2 + 4 e 355 373 etot -7.5549E+01 mv 1 8 57 -125 0 + 4 e 363 383 etot -7.6745E+01 mv 1 8 193 -180 0 + 4 e 118 402 etot -8.7566E+01 mv 0 8 98 0 0 c 98 1.1 0.0 + 4 e 86 407 etot -8.3535E+01 mv 0 8 3 0 0 + 4 e 94 405 etot -8.3633E+01 mv 0 8 121 0 0 c 121 0.7 0.0 +## N0 total= 20 close= 10 far= 0 %acc 50.0 +## N1 total= 100 close= 11 far= 3 %acc 14.0 +## N2 total= 100 close= 9 far= 11 %acc 20.0 +## N3 total= 0 close= 0 far= 0 %acc 0.0 +## N4 total= 0 close= 0 far= 0 %acc 0.0 +## N5 total= 0 close= 0 far= 0 %acc 0.0 +## N6 total= 200 close= 42 far= 19 %acc 30.5 +## N7 total= 0 close= 0 far= 0 %acc 0.0 +## N8 total= 0 close= 0 far= 0 %acc 0.0 +## N9 total= 0 close= 0 far= 0 %acc 0.0 +##N10 total= 0 close= 0 far= 0 %acc 0.0 +##N11 total= 0 close= 0 far= 0 %acc 0.0 +##N12 total= 0 close= 0 far= 0 %acc 0.0 +##N13 total= 0 close= 0 far= 0 %acc 0.0 +##N14 total= 0 close= 0 far= 0 %acc 0.0 +##N15 total= 0 close= 0 far= 0 %acc 0.0 +##N16 total= 0 close= 0 far= 0 %acc 0.0 +##N17 total= 0 close= 0 far= 0 %acc 0.0 +##N18 total= 0 close= 0 far= 0 %acc 0.0 + Time for refresh 9 0.47 + make_var : nseed= 20 ntry= 420 + Time for make trial 10 0.07 +Nonsetup time 20.13 sec, Eval/s = 63900.01 +Time for iter 10 2.10 sec, Eval/s = 59629.44 + UPDATING 420 + 4 e 245 419 etot -7.9465E+01 mv 0 8 58 0 0 + 4 e 443 388 etot -6.9032E+01 mv 1 8 161 -142 0 + 4 e 129 406 etot -8.5300E+01 mv 0 8 35 0 0 + 4 e 160 417 etot -7.6746E+01 mv 0 8 193 0 0 + 4 e 224 413 etot -8.0021E+01 mv 0 8 132 0 0 c 132 1.0 0.0 + 4 e 462 392 etot -7.9576E+01 mv 1 8 58 -67 0 + 4 e 84 414 etot -7.8196E+01 mv 0 8 107 0 0 c 79 22.9 0.1 + 4 e 454 385 etot -7.1144E+01 mv 1 8 193 -41 0 + 4 e 320 397 etot -6.1022E+01 mv 1 8 199 -184 0 + 4 e 303 400 etot -7.8506E+01 mv 1 8 199 -58 0 c 199 92.2 0.4 + 4 e 122 409 etot -8.2630E+01 mv 0 8 164 0 0 c 164 0.9 0.0 + 4 e 613 394 etot -7.8258E+01 mv 1 8 58 -197 0 + 4 e 479 382 etot -7.9164E+01 mv 1 8 193 -10 0 c 193 438.3 1.0 + 4 e 269 396 etot -6.7654E+01 mv 1 8 199 -66 0 + 4 e 335 399 etot -7.8115E+01 mv 1 8 199 -19 0 + 4 e 142 410 etot -8.1016E+01 mv 0 8 117 0 0 + 4 e 405 395 etot -7.9877E+01 mv 1 8 58 -24 0 + 4 e 139 411 etot -8.5016E+01 mv 0 8 147 0 0 c 147 1.4 0.0 + 4 e 332 398 etot -7.2753E+01 mv 1 8 199 -162 0 + 4 e 90 420 etot -7.8116E+01 mv 0 8 199 0 0 + 4 e 82 415 etot -7.7528E+01 mv 0 8 57 0 0 c 57 0.6 0.0 + 4 e 316 393 etot -6.8355E+01 mv 1 8 58 -153 0 + -1 e 1 16 etot 1.3528E+20 mv 6 9 191 190 0 + 4 e 472 391 etot -7.9977E+01 mv 1 8 58 -181 0 + 4 e 446 364 etot -7.8607E+01 mv 1 8 132 -187 0 + 4 e 117 412 etot -8.0795E+01 mv 0 8 47 0 0 c 49 0.8 0.0 + 4 e 302 386 etot -7.6710E+01 mv 1 8 161 -32 0 + 4 e 98 408 etot -8.5540E+01 mv 0 8 178 0 0 + -1 e 1 22 etot 1.3528E+20 mv 6 9 101 46 0 + 4 e 137 418 etot -7.6710E+01 mv 0 8 161 0 0 + 4 e 585 353 etot -8.3570E+01 mv 1 8 147 -191 0 + 4 e 108 416 etot -7.7101E+01 mv 0 8 159 0 0 c 113 325.1 3.2 + 4 e 262 389 etot -6.3622E+01 mv 1 8 161 -200 0 + -1 e 1 28 etot 1.3528E+20 mv 6 9 101 169 0 + -1 e 1 20 etot 1.3528E+20 mv 6 9 191 165 0 + 4 e 149 34 etot -7.4711E+01 mv 6 9 84 29 0 c 29 1.4 0.0 + -1 e 1 36 etot 1.3528E+20 mv 6 9 84 115 0 + 4 e 168 18 etot -7.9898E+01 mv 6 9 191 153 0 c 133 311.1 5.4 + 4 e 182 25 etot -7.3657E+01 mv 6 9 101 176 0 f 25 539.6 2.5 + 4 e 185 6 etot -6.9778E+01 mv 6 9 117 82 0 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etot -8.3456E+01 mv 6 9 191 185 0 + -1 e 1 61 etot 1.3528E+20 mv 6 9 88 99 0 + 4 e 394 32 etot -6.8085E+01 mv 6 9 84 93 0 + 4 e 145 45 etot -7.2869E+01 mv 6 9 35 184 0 c 184 2.8 0.0 + 4 e 231 39 etot -8.2866E+01 mv 6 9 84 166 0 + 4 e 242 38 etot -8.2866E+01 mv 6 9 84 107 0 + 4 e 227 40 etot -8.2866E+01 mv 6 9 84 10 0 c 84 0.7 0.0 + 4 e 224 44 etot -7.5698E+01 mv 6 9 35 134 0 + 4 e 286 37 etot -7.3355E+01 mv 6 9 84 101 0 + 4 e 451 7 etot -8.2429E+01 mv 6 9 117 8 0 + 4 e 502 23 etot -7.6857E+01 mv 6 9 101 156 0 f 126 513.1 5.6 + 4 e 236 50 etot -8.5372E+01 mv 6 9 35 56 0 c 35 23.9 0.0 + -1 e 1 72 etot 1.3528E+20 mv 6 9 123 152 0 + -1 e 1 73 etot 1.3675E+20 mv 6 9 123 199 0 + 4 e 493 19 etot -7.5874E+01 mv 6 9 191 30 0 + 4 e 490 42 etot -7.8191E+01 mv 6 9 35 151 0 + 4 e 235 53 etot -7.5849E+01 mv 6 9 5 13 0 c 13 328.9 4.5 + 4 e 355 46 etot -8.6001E+01 mv 6 9 35 136 0 c 35 212.1 0.6 + 4 e 239 47 etot -8.4675E+01 mv 6 9 35 105 0 + 4 e 530 5 etot -8.2185E+01 mv 6 9 117 145 0 + 4 e 239 56 etot -8.1910E+01 mv 6 9 5 71 0 + -1 e 1 81 etot 1.3528E+20 mv 6 9 178 185 0 + 4 e 253 57 etot -8.1916E+01 mv 6 9 5 180 0 + 4 e 199 66 etot -7.2763E+01 mv 6 9 88 10 0 c 10 2.2 0.0 + 8 e 81 78 etot -6.3989E+01 mv 6 9 123 2 0 + 4 e 390 43 etot -8.0325E+01 mv 6 9 35 181 0 c 113 461.9 3.2 + -1 e 1 86 etot 1.3528E+20 mv 6 9 178 148 0 + 4 e 162 76 etot -7.7286E+01 mv 6 9 123 83 0 + 4 e 289 58 etot -7.5280E+01 mv 6 9 5 86 0 c 175 459.0 1.7 + -1 e 1 89 etot 1.3528E+20 mv 6 9 178 74 0 + 4 e 318 62 etot -7.5473E+01 mv 6 9 88 32 0 + 4 e 486 48 etot -8.6304E+01 mv 6 9 35 83 0 c 35 122.7 0.3 + 4 e 405 64 etot -8.2355E+01 mv 6 9 88 27 0 c 162 461.8 7.5 + 4 e 322 59 etot -8.0290E+01 mv 6 9 5 4 0 + 4 e 257 79 etot -7.5182E+01 mv 6 9 123 5 0 f 81 581.0 3.9 + 4 e 213 51 etot -8.2343E+01 mv 6 9 5 169 0 c 5 2.2 0.0 + 4 e 405 67 etot -7.0425E+01 mv 6 9 88 25 0 + 4 e 217 77 etot -7.0653E+01 mv 6 9 123 95 0 + 4 e 627 49 etot -8.5362E+01 mv 6 9 35 199 0 + 4 e 406 24 etot -7.4166E+01 mv 6 9 101 15 0 + 4 e 155 91 etot -7.4774E+01 mv 6 9 49 52 0 + 4 e 422 21 etot -6.8681E+01 mv 6 9 101 82 0 + 4 e 467 55 etot -7.6721E+01 mv 6 9 5 163 0 + 4 e 543 68 etot -7.8816E+01 mv 6 9 88 195 0 f 155 526.4 7.5 + 8 e 3 101 etot -3.1995E+01 mv 6 9 73 150 0 + 4 e 370 75 etot -7.3528E+01 mv 6 9 123 168 0 + 4 e 185 93 etot -7.3926E+01 mv 6 9 49 60 0 + 4 e 609 41 etot -8.0383E+01 mv 6 9 35 180 0 c 60 425.8 1.4 + 4 e 394 69 etot -7.5114E+01 mv 6 9 88 39 0 + 4 e 315 85 etot -7.4915E+01 mv 6 9 178 168 0 + 4 e 412 63 etot -7.6884E+01 mv 6 9 88 135 0 + 4 e 457 70 etot -7.8992E+01 mv 6 9 88 99 0 + 4 e 504 60 etot -7.5112E+01 mv 6 9 5 160 0 + 4 e 360 84 etot -8.4139E+01 mv 6 9 178 98 0 + 4 e 495 71 etot -8.0111E+01 mv 6 9 123 158 0 c 158 226.9 6.1 + 4 e 439 80 etot -8.0020E+01 mv 6 9 123 11 0 + 4 e 298 92 etot -7.9332E+01 mv 6 9 49 33 0 + 4 e 266 94 etot -5.7931E+01 mv 6 9 49 36 0 + 4 e 147 98 etot -6.7241E+01 mv 6 9 49 58 0 + 4 e 260 97 etot -7.9335E+01 mv 6 9 49 198 0 + 4 e 423 88 etot -7.4130E+01 mv 6 9 178 47 0 f 71 485.8 2.8 + 4 e 311 82 etot -7.7625E+01 mv 6 9 178 117 0 + 4 e 329 52 etot -7.8848E+01 mv 6 9 5 97 0 + 4 e 183 110 etot -8.0170E+01 mv 6 9 73 134 0 + 4 e 254 104 etot -6.8028E+01 mv 6 9 73 45 0 + 4 e 688 74 etot -7.5253E+01 mv 6 9 123 75 0 c 75 404.5 1.0 + 4 e 417 95 etot -7.8237E+01 mv 6 9 49 91 0 + 4 e 202 116 etot -8.0311E+01 mv 6 9 187 183 0 + 4 e 336 106 etot -7.2017E+01 mv 6 9 73 166 0 + 4 e 394 99 etot -7.6225E+01 mv 6 9 49 157 0 + 4 e 347 105 etot -6.9504E+01 mv 6 9 73 49 0 + -1 e 1 131 etot 1.3528E+20 mv 6 9 107 174 0 + 4 e 259 115 etot -7.1762E+01 mv 6 9 187 136 0 + 4 e 164 96 etot -6.8484E+01 mv 6 9 49 55 0 + 4 e 188 111 etot -7.8252E+01 mv 6 9 187 136 0 + 4 e 260 117 etot -7.0924E+01 mv 6 9 187 83 0 + 4 e 256 118 etot -6.1574E+01 mv 6 9 187 181 0 + 4 e 320 113 etot -7.5616E+01 mv 6 9 187 170 0 + 4 e 648 65 etot -7.6513E+01 mv 6 9 88 181 0 + 4 e 314 114 etot -8.2920E+01 mv 6 9 187 129 0 c 187 310.3 2.6 + 4 e 207 120 etot -8.0326E+01 mv 6 9 187 100 0 + 4 e 401 87 etot 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184 etot -7.7963E+01 mv 6 9 144 176 0 f 173 524.0 6.0 + 4 e 177 222 etot -6.0962E+01 mv 2 9 35 -200 0 + 4 e 470 179 etot -7.0319E+01 mv 6 9 50 105 0 + 4 e 540 196 etot -7.8484E+01 mv 6 9 19 125 0 c 15 434.0 0.5 + 4 e 417 190 etot -7.9171E+01 mv 6 9 144 32 0 + 4 e 418 211 etot -7.8440E+01 mv 2 9 101 -71 0 + 4 e 245 221 etot -7.6894E+01 mv 2 9 35 -10 0 + 4 e 318 208 etot -8.2872E+01 mv 2 9 191 -28 0 + 4 e 411 215 etot -8.2797E+01 mv 2 9 101 -88 0 + 4 e 380 205 etot -7.0680E+01 mv 2 9 117 -15 0 + 4 e 253 223 etot -8.2425E+01 mv 2 9 35 -195 0 + 4 e 236 230 etot -7.1407E+01 mv 2 9 5 -18 0 + -1 e 1 250 etot 1.3528E+20 mv 2 9 49 -116 0 + 4 e 266 224 etot -7.5554E+01 mv 2 9 35 -96 0 + 4 e 253 220 etot -7.4511E+01 mv 2 9 84 -32 0 + 4 e 232 234 etot -7.5161E+01 mv 2 9 88 -157 0 + 4 e 294 228 etot -7.7012E+01 mv 2 9 5 -63 0 + 4 e 301 226 etot -8.1916E+01 mv 2 9 5 -88 0 + 4 e 240 235 etot -8.1864E+01 mv 2 9 88 -124 0 c 88 3.5 0.0 + 4 e 308 231 etot -8.1863E+01 mv 2 9 88 -3 0 + 4 e 477 200 etot 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251 etot -7.6112E+01 mv 2 9 73 -30 0 + 4 e 381 252 etot -7.1229E+01 mv 2 9 73 -140 0 + 4 e 400 232 etot -7.2283E+01 mv 2 9 88 -64 0 + 4 e 176 273 etot -6.4351E+01 mv 2 9 127 -12 0 + 4 e 243 254 etot -8.0487E+01 mv 2 9 73 -51 0 c 73 2.3 0.0 + 4 e 297 262 etot -6.6534E+01 mv 2 9 86 -55 0 + 4 e 456 246 etot -8.2222E+01 mv 2 9 49 -159 0 c 49 161.5 1.4 + 4 e 438 253 etot -6.6155E+01 mv 2 9 73 -64 0 + 4 e 365 259 etot -7.5840E+01 mv 2 9 187 -170 0 + -1 e 1 289 etot 1.3528E+20 mv 2 9 50 -118 0 + 4 e 173 276 etot -7.8239E+01 mv 2 9 28 -189 0 + 4 e 423 257 etot -7.3089E+01 mv 2 9 187 -80 0 + 4 e 404 244 etot -7.9439E+01 mv 2 9 178 -90 0 + 4 e 314 260 etot -7.5056E+01 mv 2 9 187 -162 0 + 4 e 291 264 etot -7.9072E+01 mv 2 9 86 -17 0 c 176 388.6 4.4 + 4 e 186 282 etot -7.6664E+01 mv 2 9 22 -152 0 + -1 e 1 296 etot 1.3528E+20 mv 2 9 19 -27 0 + 4 e 196 284 etot -7.8069E+01 mv 2 9 22 -186 0 + 4 e 253 279 etot -6.4422E+01 mv 2 9 28 -157 0 + 4 e 324 275 etot -8.2822E+01 mv 2 9 127 -47 0 c 127 360.1 2.8 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3.2 0.0 + 4 e 188 305 etot -6.9565E+01 mv 1 9 117 -76 0 + 4 e 679 267 etot -7.5868E+01 mv 2 9 107 -147 0 f 186 505.3 3.7 + 4 e 253 299 etot -6.9920E+01 mv 2 9 19 -7 0 + 4 e 615 247 etot -7.5778E+01 mv 2 9 49 -16 0 + 4 e 228 294 etot -7.2100E+01 mv 2 9 144 -64 0 + 4 e 197 306 etot -8.8183E+01 mv 1 9 191 -21 0 + 4 e 317 302 etot -7.5405E+01 mv 1 9 117 -110 0 + 4 e 513 272 etot -7.0245E+01 mv 2 9 127 -42 0 + -1 e 1 327 etot 1.3528E+20 mv 1 9 5 -141 0 + 4 e 543 287 etot -7.6781E+01 mv 2 9 50 -137 0 + 4 e 577 263 etot -7.7924E+01 mv 2 9 86 -121 0 + 4 e 539 270 etot -7.6535E+01 mv 2 9 107 -151 0 + 4 e 432 298 etot -7.4209E+01 mv 2 9 19 -17 0 + 4 e 434 297 etot -7.6541E+01 mv 2 9 19 -45 0 + 4 e 204 320 etot -8.1332E+01 mv 1 9 84 -135 0 + 4 e 299 313 etot -7.9373E+01 mv 1 9 101 -7 0 + 4 e 349 308 etot -8.8182E+01 mv 1 9 191 -147 0 + 4 e 380 307 etot -6.3004E+01 mv 1 9 191 -29 0 + 4 e 356 295 etot -7.7390E+01 mv 2 9 144 -115 0 + 4 e 312 317 etot -6.3442E+01 mv 1 9 84 -124 0 + 4 e 625 292 etot -7.4603E+01 mv 2 9 144 -16 0 f 46 507.8 2.3 + 4 e 238 311 etot -7.4951E+01 mv 1 9 101 -100 0 + 4 e 550 278 etot -8.2270E+01 mv 2 9 28 -187 0 c 28 318.5 2.8 + 4 e 505 303 etot -7.6973E+01 mv 1 9 117 -109 0 + 4 e 370 315 etot -7.8791E+01 mv 1 9 101 -34 0 + 4 e 299 321 etot -8.0025E+01 mv 1 9 35 -163 0 + 4 e 308 322 etot -7.5123E+01 mv 1 9 35 -77 0 + 4 e 424 312 etot -8.1775E+01 mv 1 9 101 -199 0 + 4 e 473 293 etot -7.4535E+01 mv 2 9 144 -1 0 + 4 e 267 326 etot -7.3323E+01 mv 1 9 5 -3 0 + 4 e 444 314 etot -7.8440E+01 mv 1 9 101 -122 0 + 4 e 361 319 etot -7.9940E+01 mv 1 9 84 -93 0 + 4 e 210 332 etot -6.6350E+01 mv 1 9 88 -72 0 + 4 e 173 331 etot -8.1864E+01 mv 1 9 88 -22 0 c 88 1.9 0.0 + 4 e 288 329 etot -7.2727E+01 mv 1 9 5 -78 0 + 4 e 355 310 etot -8.8181E+01 mv 1 9 191 -43 0 + 4 e 378 325 etot -8.2489E+01 mv 1 9 35 -150 0 + 4 e 205 330 etot -8.2343E+01 mv 1 9 5 -26 0 + 4 e 231 336 etot -8.1174E+01 mv 1 9 123 -164 0 + 4 e 671 304 etot -7.6817E+01 mv 1 9 117 -177 0 + -1 e 1 359 etot 1.3528E+20 mv 1 9 187 -189 0 + 4 e 226 339 etot -7.7785E+01 mv 1 9 123 -43 0 + 4 e 226 340 etot -8.1175E+01 mv 1 9 123 -86 0 + 4 e 198 346 etot -8.0794E+01 mv 1 9 49 -95 0 + 4 e 347 323 etot -8.5599E+01 mv 1 9 35 -103 0 + 8 e 99 354 etot -6.3997E+01 mv 1 9 73 -127 0 + 4 e 191 350 etot -8.0028E+01 mv 1 9 49 -82 0 + 4 e 201 349 etot -8.0794E+01 mv 1 9 49 -15 0 + 4 e 328 337 etot -7.3343E+01 mv 1 9 123 -173 0 c 40 298.2 0.6 + 4 e 259 345 etot -8.7347E+01 mv 1 9 178 -159 0 c 178 1.8 0.0 + 4 e 209 351 etot -7.9385E+01 mv 1 9 73 -150 0 + 4 e 373 333 etot -7.5182E+01 mv 1 9 88 -151 0 + 4 e 294 344 etot -7.9960E+01 mv 1 9 178 -51 0 + 4 e 340 328 etot -7.0933E+01 mv 1 9 5 -158 0 + -1 e 1 373 etot 1.3528E+20 mv 1 9 127 -30 0 + 4 e 407 334 etot -7.8392E+01 mv 1 9 88 -37 0 + 4 e 257 341 etot -8.7348E+01 mv 1 9 178 -159 0 c 178 1.0 0.0 + 4 e 421 324 etot -7.9494E+01 mv 1 9 35 -83 0 + 4 e 204 360 etot -7.9000E+01 mv 1 9 187 -131 0 + 4 e 243 348 etot -6.5267E+01 mv 1 9 49 -42 0 + 4 e 480 335 etot -7.6777E+01 mv 1 9 88 -119 0 + 4 e 266 356 etot -8.0475E+01 mv 1 9 187 -79 0 + 4 e 268 358 etot -8.0475E+01 mv 1 9 187 -108 0 + 4 e 174 366 etot -8.1683E+01 mv 1 9 107 -1 0 + 4 e 211 355 etot -8.0487E+01 mv 1 9 73 -115 0 + 4 e 595 309 etot -8.1460E+01 mv 1 9 191 -100 0 c 115 254.4 6.2 + 4 e 469 343 etot -7.8280E+01 mv 1 9 178 -72 0 + 4 e 375 352 etot -7.5774E+01 mv 1 9 73 -105 0 + 4 e 336 342 etot -5.6123E+01 mv 1 9 178 -147 0 + 4 e 439 347 etot -7.8176E+01 mv 1 9 49 -46 0 + -1 e 1 389 etot 1.3528E+20 mv 1 9 50 -106 0 + 4 e 396 338 etot -8.0712E+01 mv 1 9 123 -186 0 + 4 e 235 370 etot -8.0790E+01 mv 1 9 107 -185 0 + 4 e 596 318 etot -7.5544E+01 mv 1 9 84 -166 0 + 4 e 298 365 etot -8.0499E+01 mv 1 9 86 -160 0 + 4 e 352 361 etot -7.8929E+01 mv 1 9 86 -70 0 + 4 e 310 367 etot -7.0413E+01 mv 1 9 107 -17 0 + 4 e 151 380 etot -7.9512E+01 mv 1 9 28 -200 0 + 4 e 308 369 etot -8.1682E+01 mv 1 9 107 -171 0 + 4 e 177 382 etot -6.6743E+01 mv 1 9 22 -99 0 + 4 e 136 385 etot -7.9368E+01 mv 1 9 22 -60 0 c 22 2.2 0.0 + 4 e 230 383 etot -7.7545E+01 mv 1 9 22 -119 0 + 4 e 264 381 etot -7.8494E+01 mv 1 9 22 -14 0 + 4 e 372 375 etot -8.0409E+01 mv 1 9 127 -99 0 + 4 e 212 392 etot -6.4813E+01 mv 1 9 144 -130 0 + 4 e 195 395 etot -7.8813E+01 mv 1 9 144 -180 0 + 4 e 241 377 etot -7.7876E+01 mv 1 9 28 -131 0 + 4 e 557 362 etot -5.5672E+01 mv 1 9 86 -193 0 + 4 e 83 401 etot -8.2431E+01 mv 0 9 117 0 0 c 117 0.8 0.0 + 4 e 491 368 etot -8.2908E+01 mv 1 9 107 -26 0 c 107 148.4 1.2 + 4 e 286 376 etot -7.3051E+01 mv 1 9 28 -191 0 + 4 e 108 402 etot -8.8183E+01 mv 0 9 191 0 0 + 4 e 84 404 etot -8.2867E+01 mv 0 9 84 0 0 c 84 0.8 0.0 + 4 e 499 353 etot -7.5463E+01 mv 1 9 73 -137 0 + 4 e 124 403 etot -8.2800E+01 mv 0 9 101 0 0 c 101 0.6 0.0 + 4 e 292 394 etot -5.4384E+01 mv 1 9 144 -157 0 + 4 e 529 371 etot -8.2179E+01 mv 1 9 127 -79 0 + 4 e 88 408 etot -8.1175E+01 mv 0 9 123 0 0 c 123 0.4 0.0 + 4 e 355 387 etot -6.2891E+01 mv 1 9 50 -122 0 + 4 e 107 407 etot -8.1864E+01 mv 0 9 88 0 0 c 88 1.0 0.0 + 4 e 282 384 etot -7.1668E+01 mv 1 9 22 -85 0 +## N0 total= 20 close= 12 far= 0 %acc 60.0 +## N1 total= 100 close= 10 far= 0 %acc 10.0 +## N2 total= 100 close= 11 far= 6 %acc 17.0 +## N3 total= 0 close= 0 far= 0 %acc 0.0 +## N4 total= 0 close= 0 far= 0 %acc 0.0 +## N5 total= 0 close= 0 far= 0 %acc 0.0 +## N6 total= 200 close= 36 far= 18 %acc 27.0 +## N7 total= 0 close= 0 far= 0 %acc 0.0 +## N8 total= 0 close= 0 far= 0 %acc 0.0 +## N9 total= 0 close= 0 far= 0 %acc 0.0 +##N10 total= 0 close= 0 far= 0 %acc 0.0 +##N11 total= 0 close= 0 far= 0 %acc 0.0 +##N12 total= 0 close= 0 far= 0 %acc 0.0 +##N13 total= 0 close= 0 far= 0 %acc 0.0 +##N14 total= 0 close= 0 far= 0 %acc 0.0 +##N15 total= 0 close= 0 far= 0 %acc 0.0 +##N16 total= 0 close= 0 far= 0 %acc 0.0 +##N17 total= 0 close= 0 far= 0 %acc 0.0 +##N18 total= 0 close= 0 far= 0 %acc 0.0 + Time for refresh 10 0.27 + make_var : nseed= 20 ntry= 420 + Time for make trial 11 0.06 +Nonsetup time 21.91 sec, Eval/s = 64101.66 +Time for iter 11 1.77 sec, Eval/s = 66390.84 + UPDATING 420 + 4 e 545 372 etot -7.2522E+01 mv 1 9 127 -126 0 + 4 e 412 415 etot -8.0408E+01 mv 0 9 127 0 0 + 4 e 141 405 etot -8.5364E+01 mv 0 9 35 0 0 + 4 e 410 386 etot -7.9087E+01 mv 1 9 50 -135 0 + 4 e 171 418 etot -7.9089E+01 mv 0 9 50 0 0 + 4 e 302 399 etot -6.8540E+01 mv 1 9 19 -53 0 + 4 e 147 414 etot -8.1683E+01 mv 0 9 107 0 0 + 4 e 663 397 etot -8.0227E+01 mv 1 9 19 -134 0 c 19 267.1 1.5 + 4 e 127 419 etot -7.8813E+01 mv 0 9 144 0 0 + 4 e 127 416 etot -7.9512E+01 mv 0 9 28 0 0 + 4 e 161 409 etot -8.7348E+01 mv 0 9 178 0 0 c 178 0.5 0.0 + 4 e 423 390 etot -7.8050E+01 mv 1 9 50 -46 0 + 4 e 529 398 etot -7.7106E+01 mv 1 9 19 -100 0 + 4 e 92 417 etot -7.9368E+01 mv 0 9 22 0 0 c 22 0.9 0.0 + 4 e 615 378 etot -7.8911E+01 mv 1 9 28 -186 0 c 137 313.7 3.8 + 4 e 683 363 etot -7.5686E+01 mv 1 9 86 -121 0 + -1 e 1 9 etot 1.3528E+20 mv 6 10 70 171 0 + 4 e 261 412 etot -8.0475E+01 mv 0 9 187 0 0 + 4 e 376 396 etot -8.1204E+01 mv 1 9 19 -26 0 c 19 328.3 1.0 + 4 e 139 411 etot -8.0487E+01 mv 0 9 73 0 0 c 73 1.6 0.0 + 4 e 370 379 etot -7.8576E+01 mv 1 9 28 -42 0 + 4 e 62 410 etot -8.0795E+01 mv 0 9 49 0 0 + 4 e 106 406 etot -8.2343E+01 mv 0 9 5 0 0 c 5 1.5 0.0 + 4 e 315 388 etot -7.9087E+01 mv 1 9 50 -92 0 + 4 e 262 400 etot -7.0782E+01 mv 1 9 19 -11 0 + 4 e 719 364 etot -8.0194E+01 mv 1 9 86 -50 0 + 4 e 304 391 etot -7.8812E+01 mv 1 9 144 -111 0 + 4 e 429 374 etot -7.0871E+01 mv 1 9 127 -173 0 + 4 e 317 393 etot -8.0187E+01 mv 1 9 144 -81 0 c 159 356.3 2.2 + 4 e 123 420 etot -7.8770E+01 mv 0 9 19 0 0 + 4 e 102 413 etot -8.0198E+01 mv 0 9 86 0 0 + 4 e 568 357 etot -7.8039E+01 mv 1 9 187 -28 0 + -1 e 1 30 etot 1.3528E+20 mv 6 10 151 82 0 + -1 e 1 5 etot 1.3528E+20 mv 6 10 70 94 0 + -1 e 1 15 etot 1.3528E+20 mv 6 10 191 62 0 + 4 e 69 8 etot -8.1804E+01 mv 6 10 70 12 0 c 12 0.3 0.0 + 4 e 72 17 etot -7.3819E+01 mv 6 10 191 145 0 c 145 0.5 0.0 + 4 e 101 12 etot -8.1463E+01 mv 6 10 191 115 0 c 115 2.9 0.0 + 4 e 118 23 etot -7.5103E+01 mv 6 10 151 137 0 + -1 e 1 39 etot 1.3528E+20 mv 6 10 107 130 0 + 4 e 133 10 etot -7.4413E+01 mv 6 10 70 8 0 c 8 2.7 0.0 + 4 e 151 11 etot -7.1953E+01 mv 6 10 191 96 0 + 4 e 209 13 etot -8.7416E+01 mv 6 10 191 148 0 + 4 e 223 32 etot -8.0161E+01 mv 6 10 107 199 0 + 4 e 219 6 etot -7.8448E+01 mv 6 10 70 200 0 + 4 e 258 27 etot -8.3152E+01 mv 6 10 151 155 0 + 4 e 237 21 etot -8.7562E+01 mv 6 10 151 176 0 c 178 93.7 0.2 + -1 e 1 47 etot 1.3528E+20 mv 6 10 127 169 0 + 4 e 257 35 etot -8.2909E+01 mv 6 10 107 61 0 c 107 3.1 0.0 + 4 e 300 24 etot -8.0928E+01 mv 6 10 151 64 0 + 4 e 308 28 etot -8.1624E+01 mv 6 10 151 185 0 + -1 e 1 51 etot 1.3528E+20 mv 6 10 26 19 0 + 4 e 320 18 etot -8.3937E+01 mv 6 10 191 55 0 + 4 e 329 25 etot -7.4146E+01 mv 6 10 151 17 0 c 17 85.3 1.5 + 4 e 310 33 etot -7.9321E+01 mv 6 10 107 133 0 c 79 417.0 1.1 + -1 e 1 54 etot 1.3528E+20 mv 6 10 26 147 0 + 4 e 486 3 etot -7.4545E+01 mv 6 10 70 191 0 f 153 544.1 2.2 + 4 e 369 14 etot -8.3526E+01 mv 6 10 191 132 0 c 26 229.1 0.8 + 4 e 161 44 etot -7.8491E+01 mv 6 10 127 110 0 + 4 e 377 19 etot -8.2186E+01 mv 6 10 191 142 0 + 4 e 53 53 etot -8.2867E+01 mv 6 10 26 84 0 c 84 0.2 0.0 + 4 e 379 4 etot -7.5503E+01 mv 6 10 70 110 0 + 4 e 401 29 etot -8.4153E+01 mv 6 10 151 117 0 c 151 142.2 0.5 + 4 e 320 36 etot -7.5428E+01 mv 6 10 107 120 0 + 4 e 146 46 etot -7.2624E+01 mv 6 10 127 96 0 + 4 e 527 1 etot -7.7427E+01 mv 6 10 70 186 0 c 70 379.5 4.9 + -1 e 1 66 etot 1.3528E+20 mv 6 10 28 195 0 + 4 e 385 34 etot -8.2908E+01 mv 6 10 107 53 0 + 4 e 284 40 etot -8.1479E+01 mv 6 10 107 35 0 c 118 372.0 2.9 + 4 e 438 16 etot -8.3906E+01 mv 6 10 191 151 0 c 198 239.0 0.6 + -1 e 1 70 etot 1.3528E+20 mv 6 10 28 94 0 + 4 e 291 41 etot -7.1806E+01 mv 6 10 127 3 0 + 4 e 566 2 etot -7.1380E+01 mv 6 10 70 58 0 + -1 e 1 73 etot 1.3528E+20 mv 6 10 100 80 0 + -1 e 1 74 etot 1.3528E+20 mv 6 10 100 150 0 + 4 e 233 43 etot -8.2829E+01 mv 6 10 127 170 0 c 127 23.2 0.0 + 4 e 148 52 etot -8.2679E+01 mv 6 10 26 80 0 + 4 e 487 20 etot -7.4580E+01 mv 6 10 191 37 0 + -1 e 1 78 etot 1.3528E+20 mv 6 10 100 135 0 + 4 e 472 26 etot -8.7115E+01 mv 6 10 151 180 0 + 4 e 403 37 etot -7.9308E+01 mv 6 10 107 198 0 + 4 e 516 7 etot -7.6718E+01 mv 6 10 70 28 0 + 4 e 144 60 etot -8.3165E+01 mv 6 10 26 101 0 + 4 e 235 48 etot -8.1683E+01 mv 6 10 127 27 0 + 4 e 413 22 etot -7.5851E+01 mv 6 10 151 78 0 + 4 e 183 57 etot -8.2679E+01 mv 6 10 26 15 0 + 4 e 218 61 etot -6.5445E+01 mv 6 10 28 18 0 + -1 e 1 87 etot 6.2283E+21 mv 6 10 187 191 0 + 4 e 385 45 etot -6.7065E+01 mv 6 10 127 143 0 + 4 e 428 38 etot -7.6792E+01 mv 6 10 107 72 0 + 4 e 216 56 etot -6.8286E+01 mv 6 10 26 28 0 + 4 e 211 67 etot -8.2273E+01 mv 6 10 28 178 0 c 28 3.0 0.0 + 4 e 221 68 etot -6.3942E+01 mv 6 10 28 18 0 + 4 e 513 31 etot -7.9740E+01 mv 6 10 107 93 0 + 4 e 277 50 etot -8.1398E+01 mv 6 10 127 38 0 + 4 e 122 80 etot -6.4277E+01 mv 6 10 100 175 0 + 4 e 442 42 etot -7.0626E+01 mv 6 10 127 117 0 + 4 e 238 58 etot -7.8362E+01 mv 6 10 26 122 0 c 143 451.8 3.2 + 4 e 147 77 etot -7.4295E+01 mv 6 10 100 24 0 + 4 e 338 49 etot -8.0409E+01 mv 6 10 127 92 0 + 4 e 268 75 etot -7.5851E+01 mv 6 10 100 193 0 c 27 334.0 0.5 + -1 e 1 101 etot 1.3528E+20 mv 6 10 162 123 0 + 4 e 289 64 etot -8.1471E+01 mv 6 10 28 178 0 + 4 e 304 55 etot -7.4240E+01 mv 6 10 26 171 0 f 56 480.6 1.8 + 4 e 375 71 etot -7.3830E+01 mv 6 10 100 72 0 + 4 e 273 83 etot -7.6561E+01 mv 6 10 187 17 0 + 4 e 274 86 etot -8.0475E+01 mv 6 10 187 125 0 + 4 e 476 62 etot -8.2588E+01 mv 6 10 28 52 0 c 28 346.3 0.3 + 4 e 243 93 etot -8.0985E+01 mv 6 10 58 40 0 + 4 e 304 59 etot -8.0985E+01 mv 6 10 26 28 0 + 4 e 188 97 etot -8.0218E+01 mv 6 10 58 133 0 + 4 e 378 82 etot -7.4359E+01 mv 6 10 187 13 0 + 4 e 278 89 etot -7.4304E+01 mv 6 10 187 154 0 f 122 485.6 1.8 + 4 e 397 79 etot -8.3973E+01 mv 6 10 100 19 0 + 4 e 345 65 etot -8.1159E+01 mv 6 10 28 188 0 f 109 535.9 8.7 + 4 e 316 88 etot -7.6137E+01 mv 6 10 187 64 0 f 181 462.9 3.5 + -1 e 1 116 etot 1.3528E+20 mv 6 10 49 122 0 + 4 e 322 90 etot -7.4335E+01 mv 6 10 187 56 0 f 130 517.0 1.7 + 4 e 92 108 etot -7.7966E+01 mv 6 10 162 104 0 c 104 0.9 0.0 + 4 e 275 98 etot -7.5495E+01 mv 6 10 58 74 0 c 8 363.2 1.1 + 4 e 230 102 etot -7.8530E+01 mv 6 10 162 12 0 + 4 e 166 106 etot -8.0904E+01 mv 6 10 162 161 0 + 4 e 401 69 etot -7.4468E+01 mv 6 10 28 83 0 + 4 e 308 84 etot -7.7396E+01 mv 6 10 187 59 0 + 4 e 439 81 etot -6.7328E+01 mv 6 10 187 196 0 + 4 e 213 99 etot -8.2944E+01 mv 6 10 58 38 0 c 58 48.4 1.6 + 4 e 504 76 etot -7.3037E+01 mv 6 10 100 18 0 + 4 e 336 85 etot -8.0010E+01 mv 6 10 187 119 0 + 4 e 265 94 etot -8.1075E+01 mv 6 10 58 35 0 + 4 e 179 114 etot -6.9495E+01 mv 6 10 49 33 0 + 4 e 257 107 etot -7.8417E+01 mv 6 10 162 174 0 + 4 e 283 96 etot -8.1291E+01 mv 6 10 58 1 0 + 4 e 492 92 etot -7.9307E+01 mv 6 10 58 47 0 + 4 e 142 115 etot -8.1457E+01 mv 6 10 49 161 0 + 4 e 554 72 etot -7.7629E+01 mv 6 10 100 111 0 c 27 294.8 1.8 + 4 e 167 121 etot -8.0324E+01 mv 6 10 83 63 0 c 20 2.2 0.0 + 4 e 167 122 etot -6.8729E+01 mv 6 10 83 53 0 + 4 e 278 109 etot -8.2310E+01 mv 6 10 162 91 0 + 4 e 472 63 etot -7.8032E+01 mv 6 10 28 62 0 c 62 270.3 2.2 + 4 e 287 112 etot -5.9178E+01 mv 6 10 49 128 0 + 4 e 362 103 etot -7.5832E+01 mv 6 10 162 137 0 f 116 575.1 3.1 + -1 e 1 139 etot 1.3528E+20 mv 6 10 144 154 0 + 4 e 224 120 etot -8.4675E+01 mv 6 10 49 154 0 c 49 109.4 2.5 + 4 e 313 113 etot -8.4007E+01 mv 6 10 49 167 0 c 47 261.9 0.0 + 4 e 305 117 etot -7.4572E+01 mv 6 10 49 77 0 f 182 598.2 1.8 + 4 e 301 118 etot -8.2223E+01 mv 6 10 49 146 0 + 4 e 239 125 etot -8.2799E+01 mv 6 10 83 162 0 + 4 e 220 110 etot -8.2357E+01 mv 6 10 162 130 0 c 162 5.1 0.0 + -1 e 1 148 etot 1.3528E+20 mv 6 10 154 130 0 + 4 e 584 100 etot -8.0270E+01 mv 6 10 58 116 0 + 4 e 147 129 etot -6.5824E+01 mv 6 10 83 65 0 + 4 e 495 91 etot -7.9059E+01 mv 6 10 58 113 0 + 4 e 136 144 etot -6.7358E+01 mv 6 10 154 52 0 + 4 e 475 95 etot -7.5074E+01 mv 6 10 58 39 0 + 4 e 291 130 etot -8.1616E+01 mv 6 10 83 86 0 + 4 e 228 136 etot -7.7238E+01 mv 6 10 144 87 0 f 10 566.5 4.5 + 4 e 494 111 etot -7.5814E+01 mv 6 10 49 135 0 + 4 e 318 133 etot -8.1938E+01 mv 6 10 144 159 0 c 159 205.8 1.8 + 4 e 604 105 etot -8.1962E+01 mv 6 10 162 138 0 + 4 e 263 128 etot -7.4921E+01 mv 6 10 83 81 0 + 4 e 328 123 etot -7.7878E+01 mv 6 10 83 137 0 + 4 e 272 143 etot -7.6805E+01 mv 6 10 154 131 0 + 4 e 246 146 etot -7.8647E+01 mv 6 10 154 145 0 + 4 e 377 135 etot -8.2020E+01 mv 6 10 144 45 0 c 159 36.7 0.1 + 8 e 128 156 etot -6.3995E+01 mv 6 10 133 119 0 + 4 e 260 147 etot -8.3595E+01 mv 6 10 154 121 0 + 4 e 287 145 etot -8.0524E+01 mv 6 10 154 184 0 c 154 3.8 0.0 + 4 e 515 127 etot -7.2747E+01 mv 6 10 83 150 0 + 4 e 390 140 etot -7.8458E+01 mv 6 10 144 40 0 + 4 e 613 119 etot -8.2324E+01 mv 6 10 49 125 0 c 6 53.4 0.3 + 4 e 176 157 etot -7.8292E+01 mv 6 10 133 148 0 + 4 e 142 159 etot -8.0207E+01 mv 6 10 133 92 0 c 133 13.0 0.3 + 4 e 49 168 etot -7.3353E+01 mv 6 10 158 18 0 c 18 0.1 0.0 + 4 e 452 138 etot -7.9218E+01 mv 6 10 144 66 0 c 10 450.1 2.0 + 4 e 467 137 etot -7.8255E+01 mv 6 10 144 158 0 + 4 e 535 131 etot -7.6445E+01 mv 6 10 144 129 0 + 4 e 275 153 etot -7.9716E+01 mv 6 10 133 62 0 + 4 e 256 155 etot -7.9699E+01 mv 6 10 133 102 0 + 4 e 444 124 etot -8.2327E+01 mv 6 10 83 25 0 + 4 e 513 104 etot -6.5274E+01 mv 6 10 162 163 0 + 4 e 428 126 etot -8.0158E+01 mv 6 10 83 188 0 + 4 e 381 132 etot -6.8438E+01 mv 6 10 144 180 0 + 4 e 213 162 etot -6.8515E+01 mv 6 10 158 153 0 + 4 e 171 160 etot -8.1305E+01 mv 6 10 133 162 0 c 133 220.1 1.1 + 4 e 252 154 etot -7.5882E+01 mv 6 10 133 100 0 + 4 e 129 175 etot -8.1170E+01 mv 6 10 90 88 0 c 90 216.0 1.2 + 4 e 203 169 etot -7.9691E+01 mv 6 10 158 198 0 + 4 e 270 163 etot -8.0628E+01 mv 6 10 158 172 0 + -1 e 1 188 etot 1.3528E+20 mv 6 10 38 140 0 + 4 e 349 158 etot -8.0755E+01 mv 6 10 133 169 0 c 143 371.2 2.4 + 4 e 265 167 etot -7.8225E+01 mv 6 10 158 95 0 + 4 e 620 141 etot -8.1085E+01 mv 6 10 154 192 0 c 154 183.7 0.6 + 4 e 306 152 etot -7.9898E+01 mv 6 10 133 184 0 + 4 e 338 149 etot -7.4173E+01 mv 6 10 154 71 0 c 71 48.1 0.0 + 4 e 284 166 etot -7.3233E+01 mv 6 10 158 71 0 + 4 e 535 150 etot -8.0065E+01 mv 6 10 154 176 0 c 176 302.0 1.0 + 4 e 258 172 etot -6.6610E+01 mv 6 10 90 174 0 + 4 e 248 171 etot -7.7453E+01 mv 6 10 90 94 0 c 175 434.4 2.2 + 4 e 128 179 etot -7.9993E+01 mv 6 10 90 163 0 + 4 e 235 177 etot -7.4935E+01 mv 6 10 90 126 0 + -1 e 1 200 etot 1.3528E+20 mv 6 10 174 65 0 + 4 e 273 178 etot -7.9377E+01 mv 6 10 90 154 0 + 4 e 141 189 etot -8.3369E+01 mv 6 10 38 197 0 + 4 e 150 190 etot -8.3360E+01 mv 6 10 38 160 0 + 4 e 200 186 etot -8.0115E+01 mv 6 10 38 195 0 c 38 135.0 0.5 + 4 e 123 198 etot -7.9353E+01 mv 6 10 174 158 0 c 174 2.0 0.0 + 4 e 218 187 etot -6.0592E+01 mv 6 10 38 126 0 + 4 e 219 182 etot -8.3360E+01 mv 6 10 38 169 0 c 38 347.4 3.2 + 4 e 377 174 etot -7.0686E+01 mv 6 10 90 200 0 + 4 e 358 161 etot -7.0663E+01 mv 6 10 158 112 0 + -1 e 1 209 etot 1.3528E+20 mv 2 10 191 -101 0 + 4 e 487 165 etot -7.8699E+01 mv 6 10 158 51 0 c 51 362.7 2.2 + 4 e 411 176 etot -7.2059E+01 mv 6 10 90 39 0 + 4 e 450 173 etot -7.4304E+01 mv 6 10 90 47 0 f 77 481.0 1.5 + 4 e 256 181 etot -7.7185E+01 mv 6 10 38 151 0 f 68 487.5 4.3 + 4 e 254 192 etot -7.9387E+01 mv 6 10 174 57 0 c 174 109.7 0.0 + 4 e 367 183 etot -8.2913E+01 mv 6 10 38 198 0 + 4 e 185 201 etot -7.2570E+01 mv 2 10 70 -103 0 + 4 e 507 170 etot -8.0731E+01 mv 6 10 158 103 0 c 166 305.3 2.5 + 4 e 174 202 etot -6.6848E+01 mv 2 10 70 -1 0 + 4 e 272 197 etot -7.4642E+01 mv 6 10 174 94 0 f 184 547.9 1.8 + 4 e 692 134 etot -7.6804E+01 mv 6 10 144 166 0 + 4 e 569 142 etot -8.2010E+01 mv 6 10 154 102 0 c 154 228.8 0.9 + 4 e 163 206 etot -7.2298E+01 mv 2 10 191 -157 0 + 4 e 302 196 etot -6.8391E+01 mv 6 10 174 25 0 + 4 e 335 195 etot -7.2161E+01 mv 6 10 174 105 0 + 4 e 646 164 etot -7.3421E+01 mv 6 10 158 48 0 f 76 552.4 0.5 + 4 e 316 184 etot -6.3503E+01 mv 6 10 38 118 0 + 4 e 372 191 etot -8.2629E+01 mv 6 10 174 23 0 + 4 e 245 199 etot -6.9893E+01 mv 6 10 174 195 0 + 4 e 242 194 etot -7.5647E+01 mv 6 10 174 106 0 c 106 75.7 0.1 + 4 e 338 185 etot -7.6987E+01 mv 6 10 38 164 0 + -1 e 1 232 etot 1.3528E+20 mv 2 10 28 -154 0 + 4 e 225 211 etot -7.3512E+01 mv 2 10 151 -92 0 + 4 e 291 205 etot -6.1169E+01 mv 2 10 70 -41 0 + 4 e 413 180 etot -7.9780E+01 mv 6 10 90 55 0 + 4 e 157 225 etot -6.7157E+01 mv 2 10 127 -181 0 + 4 e 198 221 etot -8.1403E+01 mv 2 10 127 -73 0 + 4 e 144 222 etot -6.3243E+01 mv 2 10 127 -52 0 + 4 e 339 207 etot -6.9563E+01 mv 2 10 191 -69 0 + 4 e 379 204 etot -6.9056E+01 mv 2 10 70 -19 0 + 4 e 370 193 etot -7.7459E+01 mv 6 10 174 42 0 + -1 e 1 242 etot 1.3528E+20 mv 2 10 187 -24 0 + 4 e 190 226 etot -8.2678E+01 mv 2 10 26 -125 0 + 4 e 707 151 etot -8.0429E+01 mv 6 10 133 188 0 c 77 369.1 6.1 + 4 e 243 210 etot -8.7971E+01 mv 2 10 191 -84 0 + 4 e 189 229 etot -8.0481E+01 mv 2 10 26 -60 0 + 4 e 361 218 etot -7.9016E+01 mv 2 10 107 -71 0 + 4 e 413 212 etot -5.8987E+01 mv 2 10 151 -182 0 + 4 e 366 217 etot -7.5560E+01 mv 2 10 107 -93 0 + 4 e 523 203 etot -7.6689E+01 mv 2 10 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-6.7990E+01 mv 2 10 187 -59 0 + 4 e 175 256 etot -8.2224E+01 mv 2 10 49 -174 0 + -1 e 1 272 etot 1.3528E+20 mv 2 10 154 -143 0 + 4 e 460 215 etot -7.8657E+01 mv 2 10 151 -30 0 c 64 312.3 1.8 + 4 e 265 252 etot -6.8854E+01 mv 2 10 162 -166 0 + 4 e 424 238 etot -7.1631E+01 mv 2 10 100 -150 0 + 4 e 256 254 etot -8.1625E+01 mv 2 10 162 -172 0 + -1 e 1 277 etot 1.3528E+20 mv 2 10 133 -22 0 + 4 e 320 249 etot -7.5840E+01 mv 2 10 58 -62 0 + 4 e 460 237 etot -7.4281E+01 mv 2 10 100 -116 0 + 4 e 442 240 etot -7.7634E+01 mv 2 10 100 -9 0 + 4 e 140 260 etot -8.2224E+01 mv 2 10 49 -115 0 + 4 e 351 251 etot -8.2328E+01 mv 2 10 162 -66 0 + 4 e 756 213 etot -8.4237E+01 mv 2 10 151 -24 0 c 151 48.1 0.1 + 4 e 207 255 etot -8.2357E+01 mv 2 10 162 -37 0 + 4 e 310 261 etot -7.2601E+01 mv 2 10 83 -19 0 + 4 e 182 273 etot -7.0006E+01 mv 2 10 154 -180 0 + 4 e 172 267 etot -5.9626E+01 mv 2 10 144 -46 0 + -1 e 1 288 etot 1.3528E+20 mv 2 10 90 -75 0 + 4 e 452 253 etot -7.2997E+01 mv 2 10 162 -86 0 f 39 481.1 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-8.1331E+01 mv 1 10 162 -63 0 + 4 e 245 337 etot -7.9408E+01 mv 1 10 100 -118 0 + 4 e 265 334 etot -6.9706E+01 mv 1 10 28 -82 0 + 4 e 258 338 etot -6.9563E+01 mv 1 10 100 -169 0 + -1 e 1 372 etot 1.3528E+20 mv 1 10 154 -141 0 + 4 e 177 351 etot -8.2358E+01 mv 1 10 162 -28 0 c 162 1.2 0.0 + -1 e 1 374 etot 1.3528E+20 mv 1 10 154 -44 0 + 4 e 181 345 etot -8.2921E+01 mv 1 10 187 -154 0 c 187 3.1 0.0 + 4 e 201 360 etot -8.2040E+01 mv 1 10 49 -14 0 + 4 e 286 335 etot -8.1547E+01 mv 1 10 28 -196 0 + 4 e 301 336 etot -8.2380E+01 mv 1 10 100 -36 0 c 100 45.2 0.9 + 4 e 215 352 etot -6.0711E+01 mv 1 10 162 -138 0 + 4 e 263 359 etot -7.3354E+01 mv 1 10 49 -182 0 + 4 e 303 355 etot -7.4549E+01 mv 1 10 162 -160 0 + 4 e 278 362 etot -6.2104E+01 mv 1 10 83 -152 0 + 4 e 288 358 etot -8.2223E+01 mv 1 10 49 -110 0 + 4 e 189 366 etot -8.0966E+01 mv 1 10 144 -187 0 + 4 e 358 347 etot -8.1277E+01 mv 1 10 58 -64 0 + 4 e 364 340 etot -7.7897E+01 mv 1 10 100 -157 0 + 4 e 127 371 etot -5.7356E+01 mv 1 10 154 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-7.7912E+01 mv 1 10 90 -166 0 + 4 e 290 379 etot -7.5593E+01 mv 1 10 133 -121 0 + 4 e 324 378 etot -7.2014E+01 mv 1 10 133 -163 0 + 4 e 83 402 etot -8.9325E+01 mv 0 10 191 0 0 c 191 0.3 0.0 + 4 e 303 395 etot -7.5473E+01 mv 1 10 38 -189 0 + 4 e 296 388 etot -7.7912E+01 mv 1 10 90 -119 0 + 4 e 303 392 etot -7.9405E+01 mv 1 10 38 -30 0 + 4 e 89 410 etot -8.1360E+01 mv 0 10 58 0 0 + 4 e 101 407 etot -8.2273E+01 mv 0 10 28 0 0 + 4 e 376 381 etot -7.7924E+01 mv 1 10 158 -22 0 + 4 e 248 398 etot -6.5930E+01 mv 1 10 174 -165 0 + 4 e 108 401 etot -7.2571E+01 mv 0 10 70 0 0 + 4 e 102 406 etot -8.2679E+01 mv 0 10 26 0 0 +## N0 total= 19 close= 5 far= 0 %acc 26.3 +## N1 total= 101 close= 12 far= 0 %acc 11.9 +## N2 total= 100 close= 8 far= 5 %acc 13.0 +## N3 total= 0 close= 0 far= 0 %acc 0.0 +## N4 total= 0 close= 0 far= 0 %acc 0.0 +## N5 total= 0 close= 0 far= 0 %acc 0.0 +## N6 total= 200 close= 51 far= 13 %acc 32.0 +## N7 total= 0 close= 0 far= 0 %acc 0.0 +## N8 total= 0 close= 0 far= 0 %acc 0.0 +## N9 total= 0 close= 0 far= 0 %acc 0.0 +##N10 total= 0 close= 0 far= 0 %acc 0.0 +##N11 total= 0 close= 0 far= 0 %acc 0.0 +##N12 total= 0 close= 0 far= 0 %acc 0.0 +##N13 total= 0 close= 0 far= 0 %acc 0.0 +##N14 total= 0 close= 0 far= 0 %acc 0.0 +##N15 total= 0 close= 0 far= 0 %acc 0.0 +##N16 total= 0 close= 0 far= 0 %acc 0.0 +##N17 total= 0 close= 0 far= 0 %acc 0.0 +##N18 total= 0 close= 0 far= 0 %acc 0.0 + Time for refresh 11 0.41 + make_var : nseed= 20 ntry= 420 + Time for make trial 12 0.07 +Nonsetup time 23.87 sec, Eval/s = 63770.89 +Time for iter 12 1.96 sec, Eval/s = 60083.15 + UPDATING 420 + 4 e 533 382 etot -7.2081E+01 mv 1 10 158 -53 0 + 4 e 87 412 etot -8.2224E+01 mv 0 10 49 0 0 + 4 e 171 411 etot -8.2358E+01 mv 0 10 162 0 0 c 162 0.7 0.0 + 4 e 92 413 etot -8.1616E+01 mv 0 10 83 0 0 c 83 0.7 0.0 + 4 e 424 396 etot -7.9352E+01 mv 1 10 174 -14 0 + 4 e 100 414 etot -8.1162E+01 mv 0 10 144 0 0 c 144 1.7 0.0 + 4 e 114 415 etot -8.0524E+01 mv 0 10 154 0 0 + 4 e 58 416 etot 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mv 6 11 3 123 0 + 4 e 474 11 etot -7.7271E+01 mv 6 11 178 120 0 + -1 e 1 70 etot 1.3528E+20 mv 6 11 138 111 0 + 4 e 233 60 etot -8.2786E+01 mv 6 11 65 21 0 + 4 e 468 20 etot -8.1496E+01 mv 6 11 178 131 0 + 4 e 190 53 etot -8.2211E+01 mv 6 11 65 61 0 c 65 1.7 0.0 + 4 e 251 35 etot -7.2158E+01 mv 6 11 49 85 0 + 4 e 346 40 etot -7.9515E+01 mv 6 11 49 51 0 + -1 e 1 76 etot 1.3528E+20 mv 6 11 115 25 0 + 4 e 441 46 etot -6.8668E+01 mv 6 11 28 59 0 + 4 e 320 43 etot -8.3390E+01 mv 6 11 28 8 0 c 28 99.9 0.8 + 4 e 204 42 etot -6.6549E+01 mv 6 11 28 16 0 + 4 e 308 57 etot -8.2509E+01 mv 6 11 65 176 0 c 65 35.4 0.3 + 4 e 448 23 etot -7.3800E+01 mv 6 11 3 145 0 + 4 e 455 41 etot -8.2775E+01 mv 6 11 28 66 0 c 91 324.7 5.2 + 4 e 258 55 etot -8.4307E+01 mv 6 11 65 98 0 c 65 270.1 1.8 + 4 e 307 49 etot -8.1534E+01 mv 6 11 28 3 0 + 4 e 574 19 etot -7.9212E+01 mv 6 11 178 6 0 + 4 e 578 14 etot -8.1847E+01 mv 6 11 178 113 0 + 4 e 528 31 etot -7.7535E+01 mv 6 11 49 59 0 c 179 319.8 2.1 + 4 e 337 65 etot -8.1061E+01 mv 6 11 138 169 0 + 4 e 234 62 etot -7.3881E+01 mv 6 11 138 81 0 + 4 e 183 71 etot -8.1463E+01 mv 6 11 115 43 0 + 4 e 109 83 etot -6.8080E+01 mv 6 11 19 151 0 + 4 e 344 59 etot -7.1796E+01 mv 6 11 65 153 0 + 4 e 218 78 etot -7.5974E+01 mv 6 11 115 139 0 c 139 264.4 0.9 + -1 e 1 94 etot 1.3528E+20 mv 6 11 158 103 0 + 4 e 204 69 etot -7.7157E+01 mv 6 11 138 120 0 c 120 94.0 1.2 + 4 e 276 72 etot -7.4714E+01 mv 6 11 115 200 0 + 4 e 332 66 etot -8.0122E+01 mv 6 11 138 52 0 + 4 e 151 86 etot -7.8454E+01 mv 6 11 19 32 0 f 40 472.1 5.1 + 4 e 267 74 etot -7.2383E+01 mv 6 11 115 46 0 + 4 e 254 73 etot -7.6342E+01 mv 6 11 115 165 0 c 165 338.7 2.4 + 4 e 451 56 etot -8.2161E+01 mv 6 11 65 14 0 + 4 e 510 48 etot -7.5898E+01 mv 6 11 28 5 0 c 39 365.6 1.1 + 4 e 255 84 etot -8.1095E+01 mv 6 11 19 142 0 + 4 e 293 79 etot -8.0503E+01 mv 6 11 115 67 0 + 4 e 221 89 etot -8.0351E+01 mv 6 11 19 147 0 + 4 e 581 64 etot -7.5148E+01 mv 6 11 138 186 0 + 4 e 241 61 etot -7.4390E+01 mv 6 11 138 129 0 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82 etot -8.0425E+01 mv 6 11 19 22 0 c 22 81.4 1.1 + 4 e 348 100 etot -7.5272E+01 mv 6 11 158 147 0 + 4 e 107 113 etot -6.5755E+01 mv 6 11 143 24 0 + 4 e 171 114 etot -8.0756E+01 mv 6 11 143 100 0 c 143 1.8 0.0 + 4 e 284 106 etot -7.7489E+01 mv 6 11 94 147 0 + 4 e 462 87 etot -8.0014E+01 mv 6 11 19 70 0 + -1 e 1 134 etot 1.3528E+20 mv 6 11 161 76 0 + 4 e 153 120 etot -8.2179E+01 mv 6 11 143 68 0 + 4 e 145 116 etot -8.1917E+01 mv 6 11 143 81 0 c 143 77.1 1.2 + 4 e 239 75 etot -8.0462E+01 mv 6 11 115 186 0 + 4 e 244 117 etot -7.7735E+01 mv 6 11 143 194 0 + 4 e 296 112 etot -8.0252E+01 mv 6 11 143 76 0 + 4 e 356 109 etot -7.5923E+01 mv 6 11 94 116 0 c 116 320.7 0.1 + 4 e 174 118 etot -7.6936E+01 mv 6 11 143 1 0 c 1 159.8 0.3 + 4 e 162 128 etot -7.9627E+01 mv 6 11 68 127 0 + 4 e 268 119 etot -7.1690E+01 mv 6 11 143 188 0 + 4 e 516 102 etot -7.7249E+01 mv 6 11 94 181 0 c 116 421.8 1.3 + 4 e 384 111 etot -8.0754E+01 mv 6 11 143 118 0 + 4 e 174 130 etot -7.9508E+01 mv 6 11 68 133 0 + 4 e 592 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330 etot -7.9995E+01 mv 1 11 65 -143 0 + 4 e 208 348 etot -8.0906E+01 mv 1 11 158 -17 0 + 4 e 365 334 etot -8.2218E+01 mv 1 11 138 -194 0 + 4 e 326 321 etot -8.2588E+01 mv 1 11 28 -110 0 + 4 e 286 327 etot -8.2509E+01 mv 1 11 65 -160 0 + 4 e 211 351 etot -8.1058E+01 mv 1 11 94 -56 0 + 4 e 198 343 etot -8.1229E+01 mv 1 11 19 -123 0 c 19 30.6 0.0 + 4 e 451 328 etot -7.9994E+01 mv 1 11 65 -13 0 + 4 e 301 342 etot -7.7782E+01 mv 1 11 19 -11 0 + 4 e 222 341 etot -8.1205E+01 mv 1 11 19 -165 0 + 4 e 330 344 etot -7.9288E+01 mv 1 11 19 -195 0 + 4 e 176 361 etot -7.7398E+01 mv 1 11 68 -20 0 + 4 e 347 350 etot -8.0521E+01 mv 1 11 158 -190 0 + 4 e 380 345 etot -8.1204E+01 mv 1 11 19 -119 0 + 4 e 145 365 etot -7.9627E+01 mv 1 11 68 -73 0 + 4 e 642 297 etot -7.8825E+01 mv 2 11 155 -81 0 + 4 e 402 346 etot -8.1154E+01 mv 1 11 158 -9 0 + 4 e 250 356 etot -8.0756E+01 mv 1 11 143 -63 0 + 4 e 442 323 etot -8.4313E+01 mv 1 11 28 -100 0 c 109 91.1 1.8 + 4 e 360 336 etot -7.4205E+01 mv 1 11 115 -29 0 + 4 e 249 357 etot -7.4642E+01 mv 1 11 143 -150 0 + 4 e 248 358 etot -8.0756E+01 mv 1 11 143 -62 0 + 4 e 210 364 etot -7.9346E+01 mv 1 11 68 -133 0 + 4 e 448 340 etot -7.6394E+01 mv 1 11 115 -184 0 + 4 e 271 362 etot -7.7267E+01 mv 1 11 68 -103 0 + 4 e 231 366 etot -7.3191E+01 mv 1 11 161 -99 0 + 4 e 481 347 etot -7.8973E+01 mv 1 11 158 -98 0 + 4 e 445 329 etot -7.5429E+01 mv 1 11 65 -120 0 f 31 585.3 1.3 + 4 e 322 359 etot -7.5975E+01 mv 1 11 143 -58 0 + 4 e 179 374 etot -6.3533E+01 mv 1 11 174 -128 0 + -1 e 1 393 etot 1.3528E+20 mv 1 11 137 -122 0 + 4 e 504 349 etot -7.5285E+01 mv 1 11 158 -65 0 + 4 e 264 371 etot -7.9387E+01 mv 1 11 174 -46 0 c 174 4.0 0.0 + 4 e 153 381 etot -7.9322E+01 mv 1 11 79 -166 0 + 4 e 214 368 etot -6.8007E+01 mv 1 11 161 -86 0 + 4 e 157 384 etot -8.0448E+01 mv 1 11 79 -17 0 + -1 e 1 399 etot 1.3528E+20 mv 1 11 155 -36 0 + -1 e 1 400 etot 1.3528E+20 mv 1 11 155 -198 0 + 4 e 174 380 etot -8.1004E+01 mv 1 11 166 -176 0 c 166 0.9 0.0 + 4 e 269 367 etot -6.6149E+01 mv 1 11 161 -74 0 + 4 e 363 369 etot -7.9613E+01 mv 1 11 161 -36 0 + 4 e 261 376 etot -7.4288E+01 mv 1 11 166 -93 0 + 4 e 339 354 etot -7.6384E+01 mv 1 11 94 -187 0 + 4 e 98 402 etot -8.7562E+01 mv 0 11 178 0 0 c 178 0.7 0.0 + 4 e 308 375 etot -7.4253E+01 mv 1 11 174 -54 0 + 4 e 349 355 etot -7.8901E+01 mv 1 11 94 -74 0 + 4 e 194 392 etot -7.1673E+01 mv 1 11 137 -64 0 + 4 e 226 390 etot -6.9955E+01 mv 1 11 10 -160 0 + 4 e 142 401 etot -7.7964E+01 mv 0 11 173 0 0 + 4 e 202 395 etot -7.2852E+01 mv 1 11 137 -189 0 + 4 e 50 408 etot -8.1463E+01 mv 0 11 115 0 0 c 115 0.8 0.0 + 4 e 69 403 etot -8.4773E+01 mv 0 11 3 0 0 + 4 e 436 372 etot -7.9385E+01 mv 1 11 174 -8 0 + 4 e 100 404 etot -8.4676E+01 mv 0 11 49 0 0 c 49 1.2 0.0 + 4 e 205 396 etot -7.8818E+01 mv 1 11 155 -169 0 c 155 0.5 0.0 + 4 e 391 378 etot -7.5900E+01 mv 1 11 166 -82 0 + 4 e 94 407 etot -8.2220E+01 mv 0 11 138 0 0 c 138 1.6 0.0 +## N0 total= 21 close= 9 far= 0 %acc 42.9 +## N1 total= 99 close= 7 far= 2 %acc 9.1 +## N2 total= 100 close= 8 far= 4 %acc 12.0 +## N3 total= 0 close= 0 far= 0 %acc 0.0 +## N4 total= 0 close= 0 far= 0 %acc 0.0 +## N5 total= 0 close= 0 far= 0 %acc 0.0 +## N6 total= 200 close= 38 far= 11 %acc 24.5 +## N7 total= 0 close= 0 far= 0 %acc 0.0 +## N8 total= 0 close= 0 far= 0 %acc 0.0 +## N9 total= 0 close= 0 far= 0 %acc 0.0 +##N10 total= 0 close= 0 far= 0 %acc 0.0 +##N11 total= 0 close= 0 far= 0 %acc 0.0 +##N12 total= 0 close= 0 far= 0 %acc 0.0 +##N13 total= 0 close= 0 far= 0 %acc 0.0 +##N14 total= 0 close= 0 far= 0 %acc 0.0 +##N15 total= 0 close= 0 far= 0 %acc 0.0 +##N16 total= 0 close= 0 far= 0 %acc 0.0 +##N17 total= 0 close= 0 far= 0 %acc 0.0 +##N18 total= 0 close= 0 far= 0 %acc 0.0 + Time for refresh 12 0.28 + make_var : nseed= 20 ntry= 420 + Time for make trial 13 0.05 +Nonsetup time 25.75 sec, Eval/s = 64003.81 +Time for iter 13 1.88 sec, Eval/s = 66962.89 + UPDATING 420 + 4 e 356 394 etot -7.2805E+01 mv 1 11 137 -189 0 + 4 e 367 397 etot -7.4725E+01 mv 1 11 155 -34 0 + 4 e 106 412 etot 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415 72 etot -7.8237E+01 mv 6 12 100 123 0 + 4 e 405 67 etot -8.0451E+01 mv 6 12 159 34 0 c 190 201.2 0.2 + 4 e 394 74 etot -7.5739E+01 mv 6 12 100 67 0 + 4 e 230 77 etot -8.2028E+01 mv 6 12 100 41 0 + 4 e 334 68 etot -7.5931E+01 mv 6 12 159 148 0 + 4 e 225 85 etot -8.2127E+01 mv 6 12 194 97 0 + 4 e 432 70 etot -8.3547E+01 mv 6 12 159 189 0 c 159 80.0 1.5 + 4 e 517 53 etot -7.6049E+01 mv 6 12 158 171 0 c 171 313.5 1.0 + 4 e 564 43 etot -7.8350E+01 mv 6 12 80 127 0 + 4 e 660 48 etot -8.3487E+01 mv 6 12 80 137 0 c 80 112.3 0.0 + 4 e 202 95 etot -6.4750E+01 mv 6 12 151 133 0 + 4 e 551 59 etot -7.7971E+01 mv 6 12 158 115 0 + 4 e 425 79 etot -7.8357E+01 mv 6 12 100 165 0 c 165 191.8 2.0 + 4 e 199 98 etot -6.2040E+01 mv 6 12 151 109 0 + -1 e 1 114 etot 1.3528E+20 mv 6 12 74 65 0 + 4 e 59 111 etot -8.9325E+01 mv 6 12 74 191 0 c 191 0.2 0.0 + 4 e 367 89 etot -7.2991E+01 mv 6 12 194 96 0 + 4 e 402 96 etot -8.0610E+01 mv 6 12 151 86 0 + 4 e 223 103 etot -7.7050E+01 mv 6 12 19 31 0 + 4 e 276 99 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160 etot -7.8724E+01 mv 6 12 133 46 0 + 4 e 276 155 etot -6.8749E+01 mv 6 12 133 91 0 + 4 e 308 144 etot -8.3202E+01 mv 6 12 143 130 0 + 4 e 325 142 etot -7.8939E+01 mv 6 12 143 21 0 f 23 477.8 4.1 + 4 e 167 166 etot -7.5517E+01 mv 6 12 34 69 0 + 4 e 369 139 etot -7.5219E+01 mv 6 12 86 188 0 + 4 e 166 170 etot -8.0788E+01 mv 6 12 34 94 0 c 34 5.2 0.2 + 4 e 313 159 etot -8.1014E+01 mv 6 12 133 93 0 + 4 e 225 157 etot -8.1044E+01 mv 6 12 133 95 0 + -1 e 1 186 etot 1.3528E+20 mv 6 12 154 106 0 + 4 e 360 145 etot -8.0887E+01 mv 6 12 143 102 0 + -1 e 1 188 etot 1.3528E+20 mv 6 12 154 99 0 + 4 e 338 158 etot -6.4067E+01 mv 6 12 133 17 0 + 4 e 454 131 etot -7.8222E+01 mv 6 12 86 105 0 + -1 e 1 191 etot 1.3528E+20 mv 6 12 7 65 0 + 4 e 253 168 etot -7.2357E+01 mv 6 12 34 152 0 + 4 e 370 141 etot -8.1913E+01 mv 6 12 143 111 0 + 4 e 375 156 etot -8.4913E+01 mv 6 12 133 61 0 + 4 e 288 164 etot -8.1749E+01 mv 6 12 34 111 0 c 34 81.8 1.0 + 4 e 331 161 etot -7.5980E+01 mv 6 12 34 139 0 f 170 473.1 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239 etot -8.2979E+01 mv 2 12 100 -139 0 + -1 e 1 277 etot 1.3528E+20 mv 2 12 133 -118 0 + 4 e 222 263 etot -7.9052E+01 mv 2 12 137 -143 0 + 4 e 457 229 etot -7.4662E+01 mv 2 12 158 -161 0 + -1 e 1 279 etot 1.3528E+20 mv 2 12 133 -18 0 + 4 e 395 249 etot -7.2698E+01 mv 2 12 151 -93 0 + 4 e 404 251 etot -7.6771E+01 mv 2 12 19 -100 0 + 4 e 169 271 etot -8.1917E+01 mv 2 12 143 -29 0 + 4 e 638 234 etot -8.0150E+01 mv 2 12 159 -3 0 + 4 e 486 228 etot -7.5782E+01 mv 2 12 158 -151 0 f 195 545.4 0.8 + 4 e 128 272 etot -7.2213E+01 mv 2 12 143 -174 0 + 4 e 332 246 etot -8.1284E+01 mv 2 12 151 -7 0 + 4 e 329 260 etot -7.8135E+01 mv 2 12 74 -175 0 + 4 e 210 264 etot -8.0739E+01 mv 2 12 137 -61 0 c 137 1.0 0.0 + 4 e 233 261 etot -8.0410E+01 mv 2 12 137 -12 0 + 4 e 294 265 etot -7.8624E+01 mv 2 12 137 -159 0 + 4 e 134 274 etot -8.1917E+01 mv 2 12 143 -91 0 + 4 e 277 259 etot -7.2562E+01 mv 2 12 74 -1 0 + -1 e 1 294 etot 1.3528E+20 mv 2 12 154 -42 0 + 4 e 140 275 etot -8.1917E+01 mv 2 12 143 -107 0 + 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etot -8.0586E+01 mv 2 12 34 -95 0 + 4 e 333 289 etot -6.9427E+01 mv 2 12 77 -68 0 + 4 e 437 278 etot -7.9500E+01 mv 2 12 133 -23 0 + 4 e 423 283 etot -6.9440E+01 mv 2 12 34 -141 0 + 4 e 267 301 etot -7.7075E+01 mv 1 12 30 -130 0 + 4 e 423 284 etot -8.0455E+01 mv 2 12 34 -184 0 + 4 e 321 299 etot -6.3259E+01 mv 2 12 7 -191 0 + 4 e 478 282 etot -7.8899E+01 mv 2 12 34 -101 0 + 4 e 298 305 etot -7.7075E+01 mv 1 12 30 -24 0 + 4 e 376 297 etot -7.9348E+01 mv 2 12 7 -16 0 + -1 e 1 325 etot 1.3528E+20 mv 1 12 80 -25 0 + 4 e 271 307 etot -8.0054E+01 mv 1 12 136 -4 0 + 4 e 197 306 etot -8.8322E+01 mv 1 12 136 -74 0 + 4 e 407 298 etot -7.3670E+01 mv 2 12 7 -178 0 + -1 e 1 329 etot 1.3528E+20 mv 1 12 158 -84 0 + 4 e 201 308 etot -7.9984E+01 mv 1 12 136 -177 0 + 4 e 182 316 etot -8.0489E+01 mv 1 12 91 -150 0 + 4 e 747 267 etot -7.2430E+01 mv 2 12 86 -110 0 + 4 e 337 290 etot -7.5421E+01 mv 2 12 77 -4 0 + 4 e 556 287 etot -7.4060E+01 mv 2 12 77 -50 0 + 4 e 394 303 etot -6.9749E+01 mv 1 12 30 -196 0 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etot -8.1058E+01 mv 1 12 74 -167 0 + 4 e 545 332 etot -8.0653E+01 mv 1 12 159 -17 0 + 4 e 227 346 etot -8.4239E+01 mv 1 12 151 -147 0 + 4 e 310 338 etot -7.2905E+01 mv 1 12 100 -92 0 + -1 e 1 379 etot 1.3528E+20 mv 1 12 133 -70 0 + 4 e 178 356 etot -8.1058E+01 mv 1 12 74 -190 0 + 4 e 296 343 etot -8.0012E+01 mv 1 12 194 -127 0 + 4 e 130 371 etot -7.3864E+01 mv 1 12 143 -21 0 + -1 e 1 383 etot 1.3528E+20 mv 1 12 34 -194 0 + 4 e 131 374 etot -7.4327E+01 mv 1 12 143 -129 0 + 4 e 214 366 etot -8.0612E+01 mv 1 12 86 -71 0 + 4 e 260 352 etot -7.9110E+01 mv 1 12 19 -120 0 + 4 e 253 363 etot -7.8618E+01 mv 1 12 137 -103 0 + 4 e 157 375 etot -8.1917E+01 mv 1 12 143 -82 0 + 4 e 136 376 etot -8.1305E+01 mv 1 12 133 -180 0 c 133 0.9 0.0 + 4 e 300 359 etot -8.1057E+01 mv 1 12 74 -78 0 + 4 e 198 373 etot -8.1917E+01 mv 1 12 143 -99 0 + 4 e 261 368 etot -6.8421E+01 mv 1 12 86 -182 0 + 4 e 306 365 etot -7.0302E+01 mv 1 12 137 -89 0 + 4 e 207 377 etot -7.2018E+01 mv 1 12 133 -188 0 + 4 e 364 364 etot 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4 e 147 398 etot -8.1471E+01 mv 1 12 7 -171 0 + 4 e 222 394 etot -7.9797E+01 mv 1 12 154 -198 0 + 4 e 85 406 etot -8.2598E+01 mv 0 12 158 0 0 + 4 e 589 362 etot -7.0384E+01 mv 1 12 137 -80 0 + 4 e 41 412 etot -8.1058E+01 mv 0 12 74 0 0 c 74 0.2 0.0 +## N0 total= 17 close= 5 far= 0 %acc 29.4 +## N1 total= 103 close= 9 far= 1 %acc 9.7 +## N2 total= 100 close= 5 far= 4 %acc 9.0 +## N3 total= 0 close= 0 far= 0 %acc 0.0 +## N4 total= 0 close= 0 far= 0 %acc 0.0 +## N5 total= 0 close= 0 far= 0 %acc 0.0 +## N6 total= 200 close= 42 far= 14 %acc 28.0 +## N7 total= 0 close= 0 far= 0 %acc 0.0 +## N8 total= 0 close= 0 far= 0 %acc 0.0 +## N9 total= 0 close= 0 far= 0 %acc 0.0 +##N10 total= 0 close= 0 far= 0 %acc 0.0 +##N11 total= 0 close= 0 far= 0 %acc 0.0 +##N12 total= 0 close= 0 far= 0 %acc 0.0 +##N13 total= 0 close= 0 far= 0 %acc 0.0 +##N14 total= 0 close= 0 far= 0 %acc 0.0 +##N15 total= 0 close= 0 far= 0 %acc 0.0 +##N16 total= 0 close= 0 far= 0 %acc 0.0 +##N17 total= 0 close= 0 far= 0 %acc 0.0 +##N18 total= 0 close= 0 far= 0 %acc 0.0 + Time for refresh 13 0.43 + make_var : nseed= 20 ntry= 420 + Time for make trial 14 0.07 +Nonsetup time 27.80 sec, Eval/s = 63745.33 +Time for iter 14 2.05 sec, Eval/s = 60493.68 + UPDATING 420 + 4 e 160 405 etot -8.2000E+01 mv 0 12 80 0 0 + 4 e 71 409 etot -8.1430E+01 mv 0 12 194 0 0 + 4 e 254 401 etot -7.7075E+01 mv 0 12 30 0 0 + 4 e 545 393 etot -7.7721E+01 mv 1 12 154 -116 0 + 4 e 165 400 etot -8.3169E+01 mv 1 12 7 -177 0 c 7 1.3 0.0 + 4 e 135 414 etot -8.0612E+01 mv 0 12 86 0 0 + 4 e 484 388 etot -7.2805E+01 mv 1 12 77 -117 0 + 4 e 84 418 etot -8.0430E+01 mv 0 12 77 0 0 + 4 e 159 403 etot -8.4315E+01 mv 0 12 109 0 0 c 109 1.4 0.0 + 4 e 105 408 etot -8.2380E+01 mv 0 12 100 0 0 + 4 e 414 392 etot -8.4640E+01 mv 1 12 154 -85 0 + 4 e 140 410 etot -8.4239E+01 mv 0 12 151 0 0 c 151 1.3 0.0 + 4 e 143 417 etot -8.0587E+01 mv 0 12 34 0 0 + 4 e 168 419 etot -8.2017E+01 mv 0 12 154 0 0 c 154 0.6 0.0 + 4 e 78 416 etot -8.1305E+01 mv 0 12 133 0 0 c 133 0.4 0.0 + 4 e 231 396 etot -8.3169E+01 mv 1 12 7 -135 0 + 4 e 111 407 etot -8.2021E+01 mv 0 12 159 0 0 + 4 e 664 384 etot -7.9348E+01 mv 1 12 34 -198 0 + 4 e 111 404 etot -8.2776E+01 mv 0 12 91 0 0 + 4 e 436 367 etot -6.4911E+01 mv 1 12 86 -131 0 + 4 e 63 411 etot -8.1229E+01 mv 0 12 19 0 0 c 19 0.6 0.0 + 4 e 730 347 etot -7.9878E+01 mv 1 12 151 -175 0 c 64 368.9 1.2 + 4 e 507 381 etot -7.8026E+01 mv 1 12 34 -198 0 + 4 e 106 420 etot -8.3169E+01 mv 0 12 7 0 0 c 7 1.0 0.0 + 4 e 113 413 etot -8.0739E+01 mv 0 12 137 0 0 c 137 1.1 0.0 + 4 e 336 378 etot -7.5223E+01 mv 1 12 133 -53 0 + 4 e 460 399 etot -8.3168E+01 mv 1 12 7 -157 0 + -1 e 1 22 etot 1.3528E+20 mv 6 13 91 55 0 + 4 e 412 370 etot -7.5580E+01 mv 1 12 86 -134 0 + 4 e 346 387 etot -7.2668E+01 mv 1 12 77 -37 0 + 4 e 55 415 etot -8.1917E+01 mv 0 12 143 0 0 + 4 e 431 382 etot -7.8994E+01 mv 1 12 34 -117 0 + 4 e 141 7 etot -7.8701E+01 mv 6 13 173 51 0 c 51 1.7 0.0 + 4 e 156 14 etot -6.3462E+01 mv 6 13 77 194 0 + 4 e 182 15 etot -6.8908E+01 mv 6 13 77 49 0 + 4 e 199 9 etot -7.9431E+01 mv 6 13 173 148 0 c 173 1.8 0.0 + -1 e 1 36 etot 1.3528E+20 mv 6 13 65 163 0 + 4 e 204 10 etot -7.0200E+01 mv 6 13 173 33 0 + 4 e 198 2 etot -8.1182E+01 mv 6 13 173 187 0 + 4 e 213 12 etot -8.2241E+01 mv 6 13 77 117 0 c 133 97.1 0.9 + 4 e 223 18 etot -8.5899E+01 mv 6 13 77 163 0 + 4 e 220 19 etot -8.7071E+01 mv 6 13 77 190 0 + 4 e 237 23 etot -8.1084E+01 mv 6 13 91 53 0 + 4 e 224 3 etot -8.4654E+01 mv 6 13 173 165 0 + 4 e 248 16 etot -8.8499E+01 mv 6 13 77 19 0 c 77 230.6 1.2 + 4 e 257 28 etot -8.4361E+01 mv 6 13 91 173 0 + 4 e 238 30 etot -7.1580E+01 mv 6 13 91 168 0 + 4 e 274 20 etot -7.7044E+01 mv 6 13 77 95 0 c 95 336.3 2.0 + 4 e 283 21 etot -7.3997E+01 mv 6 13 91 122 0 + 4 e 276 13 etot -7.8567E+01 mv 6 13 77 2 0 + 4 e 265 6 etot -7.9430E+01 mv 6 13 173 42 0 + 4 e 301 24 etot -8.6402E+01 mv 6 13 91 18 0 c 91 3.5 0.0 + 4 e 305 11 etot -8.4710E+01 mv 6 13 77 154 0 + -1 e 1 53 etot 1.3528E+20 mv 6 13 197 59 0 + 4 e 322 26 etot -7.4128E+01 mv 6 13 91 106 0 + 4 e 319 31 etot -7.5191E+01 mv 6 13 65 26 0 + 4 e 425 1 etot -7.6786E+01 mv 6 13 173 39 0 c 39 45.5 0.9 + 4 e 246 33 etot -7.3887E+01 mv 6 13 65 151 0 + 4 e 410 5 etot -7.3243E+01 mv 6 13 173 46 0 + 4 e 426 27 etot -8.6544E+01 mv 6 13 91 158 0 c 91 32.4 0.1 + 4 e 431 25 etot -8.6400E+01 mv 6 13 91 81 0 + 4 e 203 41 etot -7.5450E+01 mv 6 13 80 52 0 + 4 e 438 4 etot -8.1773E+01 mv 6 13 173 147 0 c 173 120.4 2.3 + 4 e 458 17 etot -7.4031E+01 mv 6 13 77 33 0 + 4 e 167 50 etot -7.0221E+01 mv 6 13 80 13 0 + 4 e 289 34 etot -8.0307E+01 mv 6 13 65 14 0 + -1 e 1 66 etot 3.5783E+22 mv 6 13 53 97 0 + 4 e 286 35 etot -8.4307E+01 mv 6 13 65 44 0 + 4 e 374 44 etot -8.2586E+01 mv 6 13 80 45 0 + 4 e 287 38 etot -6.4651E+01 mv 6 13 65 18 0 + 4 e 299 37 etot -8.2142E+01 mv 6 13 65 200 0 + 4 e 305 45 etot -8.1618E+01 mv 6 13 80 79 0 + 4 e 235 57 etot -8.5734E+01 mv 6 13 197 195 0 c 197 8.8 0.0 + 4 e 328 51 etot -8.2483E+01 mv 6 13 197 183 0 + 4 e 485 39 etot -7.8940E+01 mv 6 13 65 19 0 + 4 e 381 42 etot -7.6267E+01 mv 6 13 80 13 0 + 4 e 558 8 etot -7.5346E+01 mv 6 13 173 23 0 + -1 e 1 77 etot 1.8521E+42 mv 6 13 28 178 0 + 4 e 306 46 etot -7.4432E+01 mv 6 13 80 134 0 + -1 e 1 79 etot 1.3528E+20 mv 6 13 28 100 0 + 4 e 300 32 etot -8.3230E+01 mv 6 13 65 15 0 + -1 e 1 81 etot 1.3528E+20 mv 6 13 194 26 0 + 4 e 283 52 etot -7.2746E+01 mv 6 13 197 22 0 + -1 e 1 82 etot 1.3528E+20 mv 6 13 194 190 0 + 4 e 365 40 etot -7.0277E+01 mv 6 13 65 124 0 + 4 e 288 58 etot -8.4345E+01 mv 6 13 197 27 0 + 4 e 164 60 etot -8.0086E+01 mv 6 13 197 91 0 + 4 e 285 59 etot -7.2951E+01 mv 6 13 197 40 0 + 4 e 253 63 etot -7.6576E+01 mv 6 13 53 109 0 + 4 e 301 54 etot -8.5734E+01 mv 6 13 197 27 0 + 4 e 274 64 etot -8.4675E+01 mv 6 13 53 172 0 c 53 39.5 0.7 + 4 e 220 61 etot -7.9589E+01 mv 6 13 53 80 0 + 4 e 78 88 etot -8.0324E+01 mv 6 13 194 20 0 c 20 0.9 0.0 + 4 e 362 49 etot -8.6480E+01 mv 6 13 80 68 0 c 80 245.4 1.5 + 4 e 225 68 etot -8.1493E+01 mv 6 13 53 21 0 c 153 287.8 2.0 + 4 e 295 56 etot -8.1608E+01 mv 6 13 197 26 0 + 4 e 256 67 etot -7.5260E+01 mv 6 13 53 124 0 + 4 e 368 62 etot -8.1451E+01 mv 6 13 53 93 0 f 122 461.8 6.4 + 4 e 275 48 etot -8.3820E+01 mv 6 13 80 198 0 + 4 e 311 65 etot -8.3975E+01 mv 6 13 53 164 0 + -1 e 1 100 etot 1.3528E+20 mv 6 13 87 89 0 + 4 e 235 70 etot -6.8633E+01 mv 6 13 53 131 0 + 4 e 246 71 etot -8.3391E+01 mv 6 13 28 152 0 c 28 2.1 0.0 + 4 e 204 86 etot -6.8714E+01 mv 6 13 194 196 0 + 4 e 349 43 etot -8.4981E+01 mv 6 13 80 27 0 + 4 e 435 55 etot -8.0508E+01 mv 6 13 197 106 0 + 4 e 291 78 etot -6.9668E+01 mv 6 13 28 63 0 + 4 e 456 69 etot -8.0834E+01 mv 6 13 53 32 0 c 171 405.9 4.8 + 4 e 227 83 etot -8.6001E+01 mv 6 13 194 90 0 + 4 e 186 92 etot -6.8675E+01 mv 6 13 87 39 0 + 4 e 219 98 etot -8.5518E+01 mv 6 13 87 165 0 c 17 278.2 0.4 + 4 e 424 74 etot -8.0169E+01 mv 6 13 28 3 0 f 99 494.9 5.0 + 4 e 528 47 etot -7.6219E+01 mv 6 13 80 106 0 f 163 581.5 1.0 + 4 e 180 96 etot -7.4451E+01 mv 6 13 87 155 0 + 4 e 510 72 etot -8.3094E+01 mv 6 13 28 136 0 + 4 e 444 29 etot -8.6543E+01 mv 6 13 91 143 0 + 4 e 352 91 etot -8.2693E+01 mv 6 13 87 55 0 + 4 e 471 75 etot -7.1964E+01 mv 6 13 28 136 0 + 4 e 486 76 etot -7.9856E+01 mv 6 13 28 188 0 + 4 e 174 107 etot -8.0739E+01 mv 6 13 158 81 0 + 4 e 251 104 etot -7.5914E+01 mv 6 13 158 47 0 + 4 e 227 94 etot -7.0209E+01 mv 6 13 87 174 0 + 4 e 576 73 etot -8.3750E+01 mv 6 13 28 1 0 + 4 e 329 101 etot -8.2977E+01 mv 6 13 158 172 0 c 158 28.4 0.3 + 4 e 334 102 etot -7.6562E+01 mv 6 13 158 167 0 f 75 427.4 1.3 + 4 e 507 89 etot -7.6370E+01 mv 6 13 194 43 0 + 4 e 540 85 etot -8.1742E+01 mv 6 13 194 55 0 + 4 e 183 112 etot -7.6458E+01 mv 6 13 5 136 0 + 4 e 486 90 etot -7.5456E+01 mv 6 13 194 6 0 + 4 e 166 117 etot -6.7125E+01 mv 6 13 5 144 0 + 4 e 501 93 etot -7.9915E+01 mv 6 13 87 13 0 f 119 544.1 4.6 + 4 e 424 103 etot -6.9470E+01 mv 6 13 158 28 0 + 4 e 188 109 etot -8.2717E+01 mv 6 13 158 166 0 + 4 e 532 95 etot -8.3150E+01 mv 6 13 87 141 0 + 4 e 417 80 etot 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-7.9319E+01 mv 6 13 34 27 0 c 27 389.4 1.2 + 4 e 217 159 etot -7.2551E+01 mv 6 13 30 157 0 + 4 e 331 145 etot -7.6691E+01 mv 6 13 118 145 0 + 4 e 455 114 etot -7.9220E+01 mv 6 13 5 199 0 + 4 e 304 136 etot -7.6304E+01 mv 6 13 34 92 0 + 4 e 230 161 etot -8.1004E+01 mv 6 13 166 6 0 + 4 e 252 155 etot -8.4020E+01 mv 6 13 30 195 0 c 97 195.3 6.0 + 4 e 320 147 etot -8.7148E+01 mv 6 13 118 193 0 + 4 e 276 153 etot -7.6071E+01 mv 6 13 30 125 0 + -1 e 1 181 etot 1.3528E+20 mv 6 13 22 142 0 + 4 e 280 157 etot -6.6848E+01 mv 6 13 30 128 0 + 4 e 156 165 etot -6.8746E+01 mv 6 13 166 169 0 + 4 e 314 160 etot -8.1102E+01 mv 6 13 30 122 0 c 30 2.4 0.0 + 8 e 92 174 etot -6.3999E+01 mv 6 13 47 37 0 + 4 e 328 158 etot -7.9055E+01 mv 6 13 30 139 0 + -1 e 1 176 etot 1.3528E+20 mv 6 13 47 106 0 + 4 e 406 116 etot -8.4011E+01 mv 6 13 5 42 0 c 5 152.1 1.0 + 4 e 151 167 etot -7.9517E+01 mv 6 13 166 104 0 + 4 e 368 162 etot -7.3906E+01 mv 6 13 166 119 0 + 4 e 566 142 etot -8.1402E+01 mv 6 13 118 152 0 c 152 150.2 2.2 + 4 e 185 173 etot -8.2183E+01 mv 6 13 47 12 0 + 4 e 239 169 etot -8.1003E+01 mv 6 13 166 9 0 + 4 e 317 149 etot -7.2461E+01 mv 6 13 118 29 0 + -1 e 1 195 etot 1.3528E+20 mv 6 13 113 15 0 + 4 e 243 170 etot -8.0967E+01 mv 6 13 166 90 0 + 4 e 202 178 etot -8.4125E+01 mv 6 13 47 42 0 c 47 15.8 0.1 + 4 e 404 164 etot -8.2331E+01 mv 6 13 166 6 0 c 6 7.8 0.0 + 4 e 226 182 etot -8.0420E+01 mv 6 13 22 200 0 + 4 e 233 183 etot -7.6041E+01 mv 6 13 22 105 0 + 4 e 236 180 etot -7.8574E+01 mv 6 13 47 122 0 + 4 e 457 135 etot -6.9190E+01 mv 6 13 34 3 0 + 4 e 196 187 etot -8.2907E+01 mv 6 13 22 77 0 c 22 313.5 2.2 + 4 e 323 172 etot -9.0669E+01 mv 6 13 47 59 0 c 35 273.0 4.4 + 4 e 552 166 etot -8.0730E+01 mv 6 13 166 174 0 + 4 e 179 202 etot -6.2927E+01 mv 2 13 173 -190 0 + 4 e 405 171 etot -7.6461E+01 mv 6 13 47 62 0 + 4 e 464 168 etot -7.6476E+01 mv 6 13 166 92 0 + 4 e 182 194 etot -8.0423E+01 mv 6 13 113 156 0 c 113 7.0 0.1 + 4 e 187 191 etot -6.8351E+01 mv 6 13 113 85 0 + 4 e 177 192 etot -8.0191E+01 mv 6 13 113 130 0 + 4 e 233 150 etot -7.0463E+01 mv 6 13 118 8 0 + 4 e 514 105 etot -7.9929E+01 mv 6 13 158 46 0 + 4 e 192 189 etot -8.2597E+01 mv 6 13 22 90 0 + 4 e 259 184 etot -8.1121E+01 mv 6 13 22 17 0 + 4 e 381 186 etot -7.8119E+01 mv 6 13 22 32 0 f 31 461.2 2.7 + 4 e 205 201 etot -7.7964E+01 mv 2 13 173 -59 0 + 4 e 430 163 etot -7.8764E+01 mv 6 13 166 113 0 + 4 e 532 152 etot -8.0636E+01 mv 6 13 30 197 0 + -1 e 1 220 etot 1.3528E+20 mv 2 13 65 -191 0 + 4 e 269 188 etot -8.3603E+01 mv 6 13 22 11 0 c 61 390.0 3.9 + 4 e 534 179 etot -7.5199E+01 mv 6 13 47 116 0 + 4 e 196 203 etot -6.6205E+01 mv 2 13 173 -132 0 + 4 e 412 193 etot -8.2605E+01 mv 6 13 113 49 0 + 4 e 502 185 etot -7.8438E+01 mv 6 13 22 6 0 + 4 e 521 156 etot -7.4038E+01 mv 6 13 30 111 0 + 4 e 325 204 etot -8.1848E+01 mv 2 13 173 -129 0 c 173 167.7 0.1 + 4 e 417 197 etot -8.4007E+01 mv 6 13 113 108 0 + 4 e 635 175 etot -8.2568E+01 mv 6 13 47 20 0 c 90 166.5 0.8 + 4 e 440 177 etot -7.7715E+01 mv 6 13 47 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etot -8.4867E+01 mv 2 13 77 -165 0 c 54 273.8 6.1 + 4 e 168 232 etot -6.3675E+01 mv 2 13 53 -62 0 + 4 e 240 230 etot -8.1318E+01 mv 2 13 197 -190 0 + 4 e 318 225 etot -7.4672E+01 mv 2 13 80 -125 0 + 4 e 276 219 etot -8.0281E+01 mv 2 13 65 -23 0 + 4 e 461 210 etot -8.7292E+01 mv 2 13 77 -53 0 c 54 209.5 2.4 + 4 e 120 235 etot -8.3976E+01 mv 2 13 53 -41 0 + 4 e 309 229 etot -8.0412E+01 mv 2 13 197 -145 0 + 4 e 183 239 etot -7.6316E+01 mv 2 13 28 -31 0 + 4 e 302 221 etot -6.9023E+01 mv 2 13 80 -6 0 + 4 e 257 237 etot -6.7965E+01 mv 2 13 28 -48 0 + 4 e 276 242 etot -6.4265E+01 mv 2 13 194 -172 0 + 4 e 253 246 etot -7.2161E+01 mv 2 13 87 -24 0 + 4 e 277 231 etot -8.3976E+01 mv 2 13 53 -191 0 + 4 e 431 214 etot -7.9557E+01 mv 2 13 91 -30 0 + 4 e 422 213 etot -7.9211E+01 mv 2 13 91 -48 0 + 4 e 454 228 etot -6.8092E+01 mv 2 13 197 -55 0 + 4 e 297 245 etot -7.8007E+01 mv 2 13 194 -76 0 + 4 e 334 240 etot -7.4961E+01 mv 2 13 28 -78 0 + 4 e 310 248 etot -7.0077E+01 mv 2 13 87 -22 0 + 4 e 251 243 etot -7.7689E+01 mv 2 13 194 -189 0 + 4 e 436 233 etot -8.1628E+01 mv 2 13 53 -21 0 + 4 e 258 258 etot -7.1887E+01 mv 2 13 5 -112 0 + 4 e 309 252 etot -6.7751E+01 mv 2 13 158 -98 0 + 4 e 262 259 etot -6.8897E+01 mv 2 13 5 -91 0 + 4 e 413 224 etot -7.8672E+01 mv 2 13 80 -130 0 f 18 417.9 3.1 + 4 e 177 261 etot -8.2547E+01 mv 2 13 103 -196 0 + -1 e 1 277 etot 1.3528E+20 mv 2 13 30 -177 0 + -1 e 1 278 etot 1.3528E+20 mv 2 13 30 -131 0 + 4 e 326 234 etot -8.2323E+01 mv 2 13 53 -25 0 c 51 219.1 3.6 + 4 e 330 256 etot -7.3080E+01 mv 2 13 5 -28 0 + 4 e 370 254 etot -8.0029E+01 mv 2 13 158 -65 0 + 4 e 453 250 etot -8.4511E+01 mv 2 13 87 -167 0 c 7 240.1 1.3 + 4 e 424 251 etot -8.2454E+01 mv 2 13 158 -67 0 + 4 e 248 267 etot -6.9999E+01 mv 2 13 34 -104 0 + -1 e 1 285 etot 1.3528E+20 mv 2 13 166 -127 0 + 4 e 241 260 etot -8.2551E+01 mv 2 13 5 -160 0 + 4 e 313 262 etot -8.0358E+01 mv 2 13 103 -66 0 + 4 e 161 275 etot -8.1479E+01 mv 2 13 118 -156 0 c 118 1.3 0.0 + 4 e 143 271 etot -8.1479E+01 mv 2 13 118 -33 0 c 118 1.7 0.0 + 4 e 628 236 etot -7.4036E+01 mv 2 13 28 -178 0 + 4 e 311 263 etot -7.7320E+01 mv 2 13 103 -152 0 f 71 474.8 1.7 + 4 e 427 227 etot -7.5774E+01 mv 2 13 197 -109 0 + 4 e 292 268 etot -6.3661E+01 mv 2 13 34 -197 0 + 4 e 217 266 etot -8.1750E+01 mv 2 13 34 -117 0 + 4 e 645 238 etot -8.0675E+01 mv 2 13 28 -49 0 + 4 e 203 274 etot -8.8386E+01 mv 2 13 118 -128 0 + 4 e 213 273 etot -7.7284E+01 mv 2 13 118 -30 0 + 4 e 245 265 etot -7.0891E+01 mv 2 13 103 -11 0 + -1 e 1 299 etot 1.3528E+20 mv 2 13 113 -144 0 + 4 e 152 282 etot -7.1077E+01 mv 2 13 166 -6 0 + 4 e 228 279 etot -7.0445E+01 mv 2 13 30 -21 0 + 4 e 353 269 etot -6.7472E+01 mv 2 13 34 -153 0 + 4 e 260 264 etot -8.1214E+01 mv 2 13 103 -126 0 + 4 e 571 253 etot -8.0464E+01 mv 2 13 158 -99 0 + 4 e 607 249 etot -8.0817E+01 mv 2 13 87 -200 0 f 29 472.3 5.2 + 4 e 470 247 etot -8.1484E+01 mv 2 13 87 -63 0 + 4 e 124 291 etot -8.0725E+01 mv 2 13 22 -103 0 c 31 190.0 2.6 + 4 e 205 280 etot -6.6403E+01 mv 2 13 30 -181 0 + 4 e 346 272 etot -7.7573E+01 mv 2 13 118 -164 0 + 4 e 257 283 etot -6.5977E+01 mv 2 13 166 -12 0 + 4 e 192 292 etot -7.4601E+01 mv 2 13 22 -199 0 + 4 e 319 281 etot -7.9586E+01 mv 2 13 166 -17 0 + 4 e 149 302 etot -6.4111E+01 mv 1 13 173 -192 0 + 4 e 166 290 etot -8.4008E+01 mv 2 13 47 -62 0 + 4 e 279 289 etot -8.3339E+01 mv 2 13 47 -71 0 + 4 e 290 286 etot -6.7623E+01 mv 2 13 47 -147 0 + 4 e 481 257 etot -7.2375E+01 mv 2 13 5 -13 0 + -1 e 1 318 etot 1.3528E+20 mv 1 13 65 -148 0 + 4 e 511 270 etot -7.7890E+01 mv 2 13 34 -149 0 + 4 e 735 222 etot -7.5556E+01 mv 2 13 80 -14 0 + 4 e 317 276 etot -7.2931E+01 mv 2 13 30 -27 0 + -1 e 1 322 etot 1.3528E+20 mv 1 13 80 -58 0 + 4 e 199 308 etot -7.6300E+01 mv 1 13 77 -163 0 + 4 e 316 297 etot -7.5971E+01 mv 2 13 113 -107 0 + 4 e 237 305 etot -7.9430E+01 mv 1 13 173 -120 0 + 4 e 202 300 etot -6.6275E+01 mv 2 13 113 -141 0 + 4 e 241 293 etot -7.2424E+01 mv 2 13 22 -188 0 + 4 e 233 295 etot -8.0725E+01 mv 2 13 22 -140 0 + -1 e 1 329 etot 1.3528E+20 mv 1 13 197 -24 0 + 4 e 296 303 etot -5.7520E+01 mv 1 13 173 -147 0 + 4 e 367 296 etot -7.7075E+01 mv 2 13 113 -69 0 + 4 e 462 284 etot -7.4592E+01 mv 2 13 166 -185 0 + 4 e 210 311 etot -8.6403E+01 mv 1 13 91 -109 0 + 4 e 396 294 etot -7.5869E+01 mv 2 13 22 -11 0 + 4 e 453 288 etot -7.9910E+01 mv 2 13 47 -79 0 + 4 e 600 255 etot -7.3531E+01 mv 2 13 158 -113 0 + 4 e 330 306 etot -8.1644E+01 mv 1 13 77 -91 0 c 20 356.5 1.3 + 4 e 166 320 etot -8.4308E+01 mv 1 13 65 -177 0 c 65 2.3 0.0 + 4 e 223 309 etot -8.7005E+01 mv 1 13 77 -109 0 + 4 e 386 298 etot -7.6610E+01 mv 2 13 113 -96 0 + 4 e 251 317 etot -7.0304E+01 mv 1 13 65 -88 0 + 4 e 376 310 etot -8.7293E+01 mv 1 13 77 -142 0 c 54 1.7 0.0 + 4 e 184 331 etot -8.3976E+01 mv 1 13 53 -104 0 + 4 e 174 334 etot -7.4068E+01 mv 1 13 53 -130 0 + 4 e 224 315 etot -8.6402E+01 mv 1 13 91 -110 0 + 4 e 201 321 etot -8.4949E+01 mv 1 13 80 -6 0 + 4 e 318 316 etot -8.4306E+01 mv 1 13 65 -132 0 + 4 e 384 313 etot -8.6402E+01 mv 1 13 91 -112 0 + -1 e 1 347 etot 1.3528E+20 mv 1 13 87 -189 0 + 4 e 407 314 etot -8.6039E+01 mv 1 13 91 -2 0 + 4 e 253 319 etot -8.4307E+01 mv 1 13 65 -165 0 + 4 e 212 327 etot -7.4813E+01 mv 1 13 197 -85 0 + 4 e 468 312 etot -7.8345E+01 mv 1 13 91 -51 0 + 4 e 314 326 etot -7.4903E+01 mv 1 13 197 -32 0 + 4 e 267 323 etot -7.9420E+01 mv 1 13 80 -53 0 + 4 e 194 341 etot -6.8816E+01 mv 1 13 194 -57 0 + 4 e 581 301 etot -7.8788E+01 mv 1 13 173 -80 0 + 4 e 538 287 etot -7.4347E+01 mv 2 13 47 -13 0 + 4 e 384 332 etot -7.2455E+01 mv 1 13 53 -79 0 + 4 e 271 328 etot -8.4345E+01 mv 1 13 197 -112 0 + 4 e 233 343 etot -7.1281E+01 mv 1 13 194 -5 0 + 4 e 439 324 etot -7.1705E+01 mv 1 13 80 -161 0 + -1 e 1 363 etot 1.3528E+20 mv 1 13 103 -16 0 + 4 e 238 337 etot -6.9495E+01 mv 1 13 28 -59 0 + 4 e 118 355 etot -8.2676E+01 mv 1 13 158 -33 0 + 4 e 365 336 etot -8.3176E+01 mv 1 13 28 -183 0 + 4 e 478 325 etot -8.4948E+01 mv 1 13 80 -158 0 + 4 e 198 351 etot -8.2676E+01 mv 1 13 158 -192 0 + 4 e 417 335 etot -8.2688E+01 mv 1 13 53 -88 0 + 4 e 463 333 etot -7.9436E+01 mv 1 13 53 -11 0 f 134 417.1 3.7 + 4 e 500 307 etot -8.7290E+01 mv 1 13 77 -120 0 + 4 e 544 304 etot -7.8137E+01 mv 1 13 173 -125 0 + 4 e 280 345 etot -7.9095E+01 mv 1 13 194 -182 0 + 4 e 316 344 etot -7.3024E+01 mv 1 13 194 -36 0 + 4 e 326 348 etot -8.0899E+01 mv 1 13 87 -172 0 + 4 e 176 364 etot -6.6502E+01 mv 1 13 103 -89 0 + 4 e 364 349 etot -8.2976E+01 mv 1 13 87 -155 0 c 87 2.7 0.0 + 4 e 300 354 etot -8.2675E+01 mv 1 13 158 -49 0 + 4 e 349 340 etot -8.3391E+01 mv 1 13 28 -184 0 + 4 e 230 362 etot -6.6790E+01 mv 1 13 103 -193 0 + 4 e 343 357 etot -6.3937E+01 mv 1 13 5 -164 0 + 4 e 616 339 etot -8.2611E+01 mv 1 13 28 -188 0 + 4 e 369 358 etot -7.3830E+01 mv 1 13 5 -15 0 + 4 e 339 346 etot -8.0919E+01 mv 1 13 87 -150 0 + 4 e 274 368 etot -7.3918E+01 mv 1 13 34 -82 0 + 4 e 269 369 etot -7.3917E+01 mv 1 13 34 -75 0 + 4 e 220 374 etot -7.3876E+01 mv 1 13 118 -83 0 + 4 e 526 330 etot -7.8951E+01 mv 1 13 197 -115 0 + 4 e 301 370 etot -8.1750E+01 mv 1 13 34 -149 0 + 4 e 268 361 etot -8.4148E+01 mv 1 13 103 -174 0 + 4 e 398 350 etot -8.2976E+01 mv 1 13 87 -34 0 c 87 2.2 0.0 + 4 e 178 381 etot -8.1004E+01 mv 1 13 166 -129 0 + 4 e 295 375 etot -8.1374E+01 mv 1 13 118 -50 0 + 4 e 730 338 etot -8.1940E+01 mv 1 13 28 -51 0 f 195 537.4 6.2 + 4 e 383 352 etot -8.0014E+01 mv 1 13 158 -138 0 + 4 e 422 367 etot -6.4633E+01 mv 1 13 34 -26 0 + -1 e 1 397 etot 1.3528E+20 mv 1 13 113 -22 0 + 4 e 727 342 etot -7.6459E+01 mv 1 13 194 -199 0 + 4 e 389 371 etot -8.1190E+01 mv 1 13 118 -176 0 + 4 e 497 360 etot -7.3078E+01 mv 1 13 5 -132 0 + 4 e 205 380 etot -8.1102E+01 mv 1 13 30 -162 0 c 30 1.5 0.0 + 4 e 412 356 etot -7.1200E+01 mv 1 13 5 -120 0 + 4 e 242 383 etot -7.8158E+01 mv 1 13 166 -149 0 + 4 e 354 378 etot -7.2710E+01 mv 1 13 30 -190 0 + 4 e 458 353 etot -8.0396E+01 mv 1 13 158 -176 0 + 4 e 411 376 etot -8.2145E+01 mv 1 13 30 -51 0 c 30 255.0 1.0 + 4 e 383 377 etot -7.6333E+01 mv 1 13 30 -85 0 f 44 443.8 0.5 + 4 e 122 391 etot -7.3188E+01 mv 1 13 22 -179 0 + 4 e 198 390 etot -8.2178E+01 mv 1 13 47 -6 0 + 4 e 192 385 etot -8.1004E+01 mv 1 13 166 -18 0 + 4 e 315 382 etot -8.1003E+01 mv 1 13 166 -191 0 + 4 e 190 393 etot -7.9670E+01 mv 1 13 22 -112 0 + 4 e 405 365 etot -7.1319E+01 mv 1 13 103 -45 0 + 4 e 116 401 etot -7.9431E+01 mv 0 13 173 0 0 + 4 e 300 386 etot -8.4007E+01 mv 1 13 47 -157 0 + 4 e 102 405 etot -8.4981E+01 mv 0 13 80 0 0 + 4 e 113 404 etot -8.4308E+01 mv 0 13 65 0 0 c 65 1.3 0.0 + 4 e 63 413 etot -8.2547E+01 mv 0 13 103 0 0 + 4 e 97 407 etot -8.3976E+01 mv 0 13 53 0 0 +## N0 total= 22 close= 8 far= 0 %acc 36.4 +## N1 total= 98 close= 9 far= 3 %acc 12.2 +## N2 total= 100 close= 9 far= 4 %acc 13.0 +## N3 total= 0 close= 0 far= 0 %acc 0.0 +## N4 total= 0 close= 0 far= 0 %acc 0.0 +## N5 total= 0 close= 0 far= 0 %acc 0.0 +## N6 total= 200 close= 38 far= 13 %acc 25.5 +## N7 total= 0 close= 0 far= 0 %acc 0.0 +## N8 total= 0 close= 0 far= 0 %acc 0.0 +## N9 total= 0 close= 0 far= 0 %acc 0.0 +##N10 total= 0 close= 0 far= 0 %acc 0.0 +##N11 total= 0 close= 0 far= 0 %acc 0.0 +##N12 total= 0 close= 0 far= 0 %acc 0.0 +##N13 total= 0 close= 0 far= 0 %acc 0.0 +##N14 total= 0 close= 0 far= 0 %acc 0.0 +##N15 total= 0 close= 0 far= 0 %acc 0.0 +##N16 total= 0 close= 0 far= 0 %acc 0.0 +##N17 total= 0 close= 0 far= 0 %acc 0.0 +##N18 total= 0 close= 0 far= 0 %acc 0.0 + Time for refresh 14 0.32 + make_var : nseed= 20 ntry= 420 + Time for make trial 15 0.07 +Nonsetup time 29.78 sec, Eval/s = 63733.59 +Time for iter 15 1.98 sec, Eval/s = 63569.13 + UPDATING 420 + 4 e 96 419 etot -8.0726E+01 mv 0 13 22 0 0 c 31 0.6 0.0 + 4 e 492 384 etot -7.8423E+01 mv 1 13 166 -23 0 + 4 e 194 412 etot -8.2552E+01 mv 0 13 5 0 0 + 4 e 100 410 etot -8.2978E+01 mv 0 13 87 0 0 c 87 1.9 0.0 + 4 e 264 394 etot -8.0725E+01 mv 1 13 22 -133 0 + 4 e 133 408 etot -8.3391E+01 mv 0 13 28 0 0 c 28 0.8 0.0 + 4 e 494 379 etot -7.6153E+01 mv 1 13 30 -152 0 + 4 e 73 415 etot -8.1479E+01 mv 0 13 118 0 0 c 118 0.9 0.0 + 4 e 146 418 etot -8.4008E+01 mv 0 13 47 0 0 + 4 e 261 395 etot -6.5887E+01 mv 1 13 22 -152 0 + 4 e 667 366 etot -7.8004E+01 mv 1 13 34 -32 0 + 4 e 186 400 etot -8.0423E+01 mv 1 13 113 -117 0 c 113 1.5 0.0 + 4 e 481 387 etot -7.4167E+01 mv 1 13 47 -98 0 + 4 e 105 416 etot -8.1103E+01 mv 0 13 30 0 0 + 4 e 54 417 etot -8.1004E+01 mv 0 13 166 0 0 c 166 0.5 0.0 + 4 e 433 398 etot -7.2246E+01 mv 1 13 113 -34 0 + 4 e 180 420 etot -8.0424E+01 mv 0 13 113 0 0 c 113 0.8 0.0 + 4 e 505 399 etot -7.7620E+01 mv 1 13 113 -15 0 + 4 e 486 388 etot -7.4269E+01 mv 1 13 47 -1 0 + 4 e 414 389 etot -8.0931E+01 mv 1 13 47 -129 0 + 4 e 100 414 etot -8.1750E+01 mv 0 13 34 0 0 c 34 0.8 0.0 + 4 e 170 403 etot -8.6403E+01 mv 0 13 91 0 0 + 4 e 149 406 etot -8.5735E+01 mv 0 13 197 0 0 c 197 2.9 0.0 + 4 e 437 372 etot -8.2144E+01 mv 1 13 118 -113 0 f 13 422.0 6.3 + 4 e 346 396 etot -7.2142E+01 mv 1 13 113 -139 0 + 4 e 481 359 etot -8.2549E+01 mv 1 13 5 -20 0 + 4 e 555 373 etot -7.7260E+01 mv 1 13 118 -157 0 + -1 e 1 20 etot 1.3528E+20 mv 6 14 91 155 0 + 4 e 141 402 etot -8.7294E+01 mv 0 13 77 0 0 c 54 1.6 0.0 + 4 e 106 409 etot -8.3033E+01 mv 0 13 194 0 0 c 194 0.6 0.0 + 4 e 223 392 etot -7.3216E+01 mv 1 13 22 -70 0 + 4 e 90 411 etot -8.2676E+01 mv 0 13 158 0 0 + 4 e 130 29 etot -7.4334E+01 mv 6 14 80 77 0 + 4 e 200 1 etot -8.2440E+01 mv 6 14 111 99 0 c 111 3.5 0.0 + -1 e 1 34 etot 1.3528E+20 mv 6 14 35 26 0 + 4 e 191 25 etot -8.4981E+01 mv 6 14 80 182 0 + 4 e 227 12 etot -8.6987E+01 mv 6 14 91 166 0 c 91 11.9 0.4 + 4 e 243 3 etot -8.2439E+01 mv 6 14 111 170 0 + 4 e 234 6 etot -7.9143E+01 mv 6 14 111 21 0 + 4 e 258 8 etot -7.0499E+01 mv 6 14 111 162 0 + -1 e 1 40 etot 2.6064E+35 mv 6 14 35 200 0 + 4 e 261 10 etot -7.5558E+01 mv 6 14 111 184 0 + 4 e 244 17 etot -7.4198E+01 mv 6 14 91 58 0 + 4 e 285 11 etot -7.4296E+01 mv 6 14 91 198 0 + 4 e 251 26 etot -8.0841E+01 mv 6 14 80 188 0 c 188 234.1 2.6 + 4 e 33 43 etot -7.9614E+01 mv 6 14 53 161 0 c 161 0.1 0.0 + 4 e 309 16 etot -7.5756E+01 mv 6 14 91 93 0 + 4 e 327 14 etot -8.1703E+01 mv 6 14 91 146 0 + -1 e 1 48 etot 1.3528E+20 mv 6 14 53 199 0 + 4 e 343 24 etot -8.4007E+01 mv 6 14 80 26 0 c 26 257.3 0.5 + 4 e 336 23 etot -7.7769E+01 mv 6 14 80 78 0 f 183 426.2 1.9 + 4 e 345 28 etot -8.1673E+01 mv 6 14 80 192 0 c 183 344.7 3.9 + 4 e 383 13 etot -7.5638E+01 mv 6 14 91 147 0 + 4 e 352 22 etot -7.7340E+01 mv 6 14 80 56 0 + 4 e 401 9 etot -7.5111E+01 mv 6 14 111 71 0 + -1 e 1 55 etot 1.3528E+20 mv 6 14 109 200 0 + 4 e 347 18 etot -7.8038E+01 mv 6 14 91 159 0 f 186 428.2 2.2 + -1 e 1 54 etot 1.3528E+20 mv 6 14 109 191 0 + 4 e 358 21 etot -8.6480E+01 mv 6 14 80 110 0 + 4 e 319 30 etot -8.2301E+01 mv 6 14 80 43 0 c 152 208.8 0.9 + 4 e 387 19 etot -8.7557E+01 mv 6 14 91 87 0 c 91 344.6 0.6 + 4 e 367 15 etot -8.2293E+01 mv 6 14 91 172 0 f 32 437.2 6.4 + 4 e 113 47 etot -8.2945E+01 mv 6 14 53 58 0 c 58 0.9 0.0 + 4 e 576 2 etot -8.4388E+01 mv 6 14 111 135 0 c 111 309.6 1.9 + -1 e 1 64 etot 1.3528E+20 mv 6 14 47 52 0 + -1 e 1 65 etot 1.3528E+20 mv 6 14 47 64 0 + 4 e 376 35 etot -8.3098E+01 mv 6 14 35 175 0 c 20 347.6 1.5 + 4 e 238 37 etot -7.3764E+01 mv 6 14 35 112 0 + 4 e 459 32 etot -8.8236E+01 mv 6 14 35 90 0 + -1 e 1 69 etot 5.0799E+20 mv 6 14 47 169 0 + 4 e 483 5 etot -7.8413E+01 mv 6 14 111 153 0 + 4 e 378 38 etot -8.6022E+01 mv 6 14 35 89 0 + 4 e 131 53 etot -6.6098E+01 mv 6 14 109 200 0 + 4 e 337 41 etot -8.4674E+01 mv 6 14 53 90 0 + 4 e 494 27 etot -8.6480E+01 mv 6 14 80 196 0 + 4 e 536 4 etot -7.4061E+01 mv 6 14 111 156 0 + 4 e 335 36 etot -7.8173E+01 mv 6 14 35 42 0 + 4 e 358 42 etot -8.4674E+01 mv 6 14 53 178 0 + 4 e 548 7 etot -8.6016E+01 mv 6 14 111 108 0 c 111 117.6 1.6 + 4 e 371 44 etot -8.1754E+01 mv 6 14 53 127 0 + 4 e 264 50 etot -8.4674E+01 mv 6 14 53 106 0 + 4 e 332 46 etot -6.7915E+01 mv 6 14 53 179 0 + 4 e 261 57 etot -7.6948E+01 mv 6 14 109 196 0 + 4 e 162 74 etot -8.2907E+01 mv 6 14 54 22 0 c 22 1.4 0.0 + 4 e 257 66 etot -8.4007E+01 mv 6 14 47 82 0 + 4 e 434 39 etot -8.9472E+01 mv 6 14 35 11 0 + 4 e 293 49 etot -8.0216E+01 mv 6 14 53 99 0 c 99 7.0 0.0 + 4 e 395 56 etot -7.9033E+01 mv 6 14 109 120 0 + -1 e 1 88 etot 1.3528E+20 mv 6 14 7 114 0 + -1 e 1 89 etot 1.3528E+20 mv 6 14 7 137 0 + 4 e 536 33 etot -8.0841E+01 mv 6 14 35 131 0 + 4 e 226 78 etot -7.7137E+01 mv 6 14 54 103 0 + 4 e 236 80 etot -8.7293E+01 mv 6 14 54 127 0 + 4 e 205 75 etot -8.7006E+01 mv 6 14 54 39 0 + 4 e 266 68 etot -7.6728E+01 mv 6 14 47 120 0 + 4 e 424 45 etot -7.7852E+01 mv 6 14 53 30 0 + 4 e 167 82 etot -7.4068E+01 mv 6 14 7 198 0 + 4 e 397 63 etot -8.2782E+01 mv 6 14 47 139 0 + 4 e 405 72 etot -7.6776E+01 mv 6 14 54 84 0 f 85 561.3 0.9 + 4 e 330 59 etot -7.5065E+01 mv 6 14 109 146 0 + 4 e 217 83 etot -7.4289E+01 mv 6 14 7 3 0 + 4 e 224 84 etot -7.1500E+01 mv 6 14 7 145 0 + 4 e 398 62 etot -8.3710E+01 mv 6 14 47 153 0 + 4 e 189 60 etot -8.4415E+01 mv 6 14 109 151 0 c 109 2.9 0.0 + 4 e 492 61 etot -7.6469E+01 mv 6 14 47 1 0 + 4 e 485 67 etot -7.7945E+01 mv 6 14 47 66 0 f 105 442.0 2.0 + 4 e 308 79 etot -8.7070E+01 mv 6 14 54 113 0 + 4 e 531 31 etot -7.1222E+01 mv 6 14 35 10 0 + -1 e 1 108 etot 1.3528E+20 mv 6 14 61 183 0 + 4 e 223 81 etot -6.9632E+01 mv 6 14 7 130 0 + 4 e 321 85 etot -8.4511E+01 mv 6 14 7 73 0 c 7 4.7 0.0 + 4 e 320 90 etot -8.4343E+01 mv 6 14 7 142 0 + 4 e 314 87 etot -7.6185E+01 mv 6 14 7 62 0 + 4 e 272 92 etot -7.6809E+01 mv 6 14 5 93 0 c 93 2.6 0.0 + 4 e 162 96 etot -8.2658E+01 mv 6 14 5 18 0 + 4 e 463 76 etot -8.3905E+01 mv 6 14 54 51 0 + 4 e 249 95 etot -8.3626E+01 mv 6 14 5 188 0 + 4 e 474 73 etot -8.0741E+01 mv 6 14 54 145 0 f 102 483.1 4.8 + -1 e 1 118 etot 1.3528E+20 mv 6 14 195 34 0 + -1 e 1 119 etot 1.3528E+20 mv 6 14 195 102 0 + 4 e 463 58 etot -8.3696E+01 mv 6 14 109 122 0 + 4 e 392 86 etot -8.4510E+01 mv 6 14 7 45 0 + 4 e 194 105 etot -8.3603E+01 mv 6 14 61 58 0 c 61 1.6 0.0 + 4 e 274 97 etot -7.8413E+01 mv 6 14 5 179 0 c 179 304.6 0.9 + 4 e 280 99 etot -6.9639E+01 mv 6 14 5 14 0 + 4 e 279 91 etot -7.8716E+01 mv 6 14 5 4 0 f 139 561.3 2.7 + 4 e 262 106 etot -8.0221E+01 mv 6 14 61 111 0 + 4 e 570 52 etot -8.0374E+01 mv 6 14 109 10 0 + 4 e 608 51 etot -8.0152E+01 mv 6 14 109 128 0 f 170 474.6 4.2 + 4 e 652 71 etot -8.7922E+01 mv 6 14 54 140 0 c 17 286.1 2.4 + 4 e 429 98 etot -7.4227E+01 mv 6 14 5 124 0 + -1 e 1 131 etot 1.3528E+20 mv 6 14 173 126 0 + 4 e 129 125 etot -8.3129E+01 mv 6 14 26 135 0 + 4 e 407 101 etot -8.3181E+01 mv 6 14 61 125 0 + 4 e 506 93 etot -7.4593E+01 mv 6 14 5 185 0 + 4 e 262 116 etot -6.7662E+01 mv 6 14 195 157 0 + 4 e 298 100 etot -6.9638E+01 mv 6 14 5 155 0 + 4 e 267 110 etot -7.6997E+01 mv 6 14 61 95 0 f 81 421.9 0.9 + 4 e 179 127 etot -8.3527E+01 mv 6 14 26 23 0 c 143 243.2 0.2 + 4 e 467 102 etot -7.1612E+01 mv 6 14 61 190 0 + 4 e 299 114 etot -8.4414E+01 mv 6 14 195 113 0 c 195 298.4 2.5 + 4 e 583 77 etot -8.3099E+01 mv 6 14 54 159 0 + 4 e 387 94 etot -8.2506E+01 mv 6 14 5 47 0 + 4 e 592 70 etot -7.8794E+01 mv 6 14 47 145 0 + 4 e 476 107 etot -7.3830E+01 mv 6 14 61 196 0 + 4 e 313 122 etot -8.0494E+01 mv 6 14 26 84 0 + 4 e 510 103 etot -7.9376E+01 mv 6 14 61 132 0 + 4 e 147 130 etot -7.5883E+01 mv 6 14 26 139 0 + 4 e 393 112 etot -8.0491E+01 mv 6 14 195 45 0 f 181 496.1 4.4 + 4 e 360 117 etot -8.4784E+01 mv 6 14 195 151 0 c 181 274.6 4.3 + 4 e 324 123 etot -7.6548E+01 mv 6 14 26 163 0 + 4 e 437 113 etot -7.7874E+01 mv 6 14 195 34 0 f 55 559.2 1.7 + 4 e 210 132 etot -5.9567E+01 mv 6 14 173 177 0 + 4 e 96 138 etot -8.1085E+01 mv 6 14 173 94 0 c 94 2.3 0.0 + 4 e 402 124 etot -7.5560E+01 mv 6 14 26 111 0 + 4 e 203 128 etot -8.3527E+01 mv 6 14 26 130 0 c 143 2.4 0.0 + 4 e 207 135 etot -8.0398E+01 mv 6 14 173 23 0 + 4 e 521 111 etot -7.4120E+01 mv 6 14 195 143 0 + 4 e 458 120 etot -8.3464E+01 mv 6 14 195 12 0 + 4 e 295 121 etot -8.3107E+01 mv 6 14 26 108 0 + 4 e 271 134 etot -6.6492E+01 mv 6 14 173 99 0 + 4 e 221 104 etot -8.3603E+01 mv 6 14 61 175 0 + 4 e 206 141 etot -7.6454E+01 mv 6 14 122 175 0 + 4 e 224 140 etot -8.0203E+01 mv 6 14 173 45 0 + 4 e 340 133 etot -8.3533E+01 mv 6 14 173 194 0 c 173 206.2 1.7 + 4 e 234 146 etot -7.6619E+01 mv 6 14 122 69 0 + 4 e 274 139 etot -8.1774E+01 mv 6 14 173 151 0 c 167 307.9 0.9 + 4 e 295 126 etot -8.1509E+01 mv 6 14 26 132 0 + 4 e 210 150 etot -8.4427E+01 mv 6 14 122 8 0 c 172 273.1 1.9 + 4 e 42 166 etot -7.6355E+01 mv 6 14 158 114 0 c 114 0.4 0.0 + 4 e 348 136 etot -6.9261E+01 mv 6 14 173 2 0 + 4 e 266 148 etot -8.4456E+01 mv 6 14 122 58 0 c 122 155.4 3.0 + 4 e 228 142 etot -7.7401E+01 mv 6 14 122 176 0 + 4 e 248 152 etot -7.9739E+01 mv 6 14 171 114 0 f 163 436.5 3.5 + 4 e 214 155 etot -8.0925E+01 mv 6 14 171 172 0 + 4 e 253 153 etot -8.8321E+01 mv 6 14 171 136 0 + 4 e 334 129 etot -7.2376E+01 mv 6 14 26 97 0 + 4 e 161 156 etot -8.0835E+01 mv 6 14 171 76 0 c 171 1.3 0.0 + 4 e 496 115 etot -7.6954E+01 mv 6 14 195 187 0 f 45 414.7 0.7 + 4 e 250 159 etot -8.1163E+01 mv 6 14 171 31 0 c 171 11.7 0.3 + 4 e 211 163 etot -7.0448E+01 mv 6 14 158 66 0 + -1 e 1 181 etot 1.3528E+20 mv 6 14 97 188 0 + 4 e 241 161 etot -8.3053E+01 mv 6 14 158 198 0 c 158 11.0 0.1 + 4 e 176 167 etot -7.6085E+01 mv 6 14 158 169 0 + 4 e 408 145 etot -7.5891E+01 mv 6 14 122 55 0 + 4 e 368 151 etot -7.9266E+01 mv 6 14 171 158 0 + -1 e 1 186 etot 1.3528E+20 mv 6 14 97 129 0 + -1 e 1 187 etot 1.3528E+20 mv 6 14 97 59 0 + 4 e 239 164 etot -8.2322E+01 mv 6 14 158 25 0 + -1 e 1 189 etot 1.3528E+20 mv 6 14 97 198 0 + 4 e 342 157 etot -8.1884E+01 mv 6 14 171 40 0 + 4 e 255 165 etot -8.3053E+01 mv 6 14 158 167 0 c 158 1.0 0.0 + 4 e 463 149 etot -7.6444E+01 mv 6 14 122 105 0 f 44 401.0 0.1 + 4 e 198 171 etot -8.2735E+01 mv 6 14 60 150 0 c 60 256.0 2.4 + 4 e 515 147 etot -8.1451E+01 mv 6 14 122 189 0 + 4 e 393 158 etot -7.2252E+01 mv 6 14 171 73 0 + 4 e 286 170 etot -8.3053E+01 mv 6 14 158 73 0 + 4 e 304 160 etot -8.1842E+01 mv 6 14 171 92 0 c 8 266.2 0.2 + 4 e 277 174 etot -8.0953E+01 mv 6 14 60 3 0 + 4 e 427 109 etot -7.6492E+01 mv 6 14 61 154 0 + 4 e 224 183 etot -8.4020E+01 mv 6 14 97 8 0 + 4 e 197 190 etot -8.2421E+01 mv 6 14 97 57 0 + 4 e 212 192 etot -7.4698E+01 mv 6 14 113 61 0 + 4 e 430 169 etot -7.8137E+01 mv 6 14 158 47 0 + 4 e 262 168 etot -8.4157E+01 mv 6 14 158 194 0 c 194 230.7 1.1 + 4 e 409 172 etot -7.2554E+01 mv 6 14 60 67 0 + 4 e 300 182 etot -7.6346E+01 mv 6 14 97 92 0 + 4 e 522 143 etot -7.2790E+01 mv 6 14 122 62 0 + 4 e 452 144 etot -8.1642E+01 mv 6 14 122 147 0 + -1 e 1 209 etot 1.3528E+20 mv 2 14 91 -97 0 + 4 e 316 184 etot -8.4019E+01 mv 6 14 97 133 0 + 4 e 282 177 etot -7.9853E+01 mv 6 14 60 110 0 + 4 e 362 180 etot -8.1616E+01 mv 6 14 60 7 0 c 119 143.2 1.7 + 4 e 466 154 etot -7.2427E+01 mv 6 14 171 198 0 + 4 e 428 175 etot -7.6045E+01 mv 6 14 60 127 0 + 4 e 285 194 etot -7.2769E+01 mv 6 14 113 4 0 + 4 e 572 137 etot -7.7533E+01 mv 6 14 173 106 0 + 4 e 347 162 etot -7.8485E+01 mv 6 14 158 15 0 + 4 e 340 173 etot -8.0248E+01 mv 6 14 60 115 0 f 125 552.7 3.9 + 4 e 478 176 etot -7.8906E+01 mv 6 14 60 67 0 c 15 270.2 0.4 + 4 e 389 188 etot -7.3861E+01 mv 6 14 97 112 0 + 4 e 339 193 etot -7.9625E+01 mv 6 14 113 62 0 c 36 379.7 0.8 + 4 e 277 197 etot -7.9589E+01 mv 6 14 113 36 0 + 4 e 389 191 etot -7.6701E+01 mv 6 14 113 67 0 f 114 488.8 0.3 + 4 e 347 195 etot -7.9372E+01 mv 6 14 113 45 0 + 4 e 270 199 etot -7.6657E+01 mv 6 14 113 111 0 + 4 e 248 202 etot -6.6687E+01 mv 2 14 111 -125 0 + 4 e 471 185 etot -7.3406E+01 mv 6 14 97 131 0 + 4 e 204 200 etot -7.3147E+01 mv 6 14 113 174 0 + -1 e 1 229 etot 1.3528E+20 mv 2 14 109 -34 0 + 4 e 208 206 etot -8.5110E+01 mv 2 14 91 -13 0 c 32 211.4 2.8 + -1 e 1 231 etot 1.3528E+20 mv 2 14 47 -165 0 + 4 e 247 203 etot -8.1802E+01 mv 2 14 111 -158 0 + 4 e 127 220 etot -9.0670E+01 mv 2 14 35 -114 0 c 35 1.3 0.0 + 4 e 528 196 etot -7.9438E+01 mv 6 14 113 146 0 f 44 416.7 3.0 + 4 e 304 216 etot -9.0669E+01 mv 2 14 35 -10 0 + 4 e 360 204 etot -6.9305E+01 mv 2 14 111 -66 0 + 4 e 230 213 etot -6.6641E+01 mv 2 14 80 -40 0 + -1 e 1 234 etot 1.3528E+20 mv 2 14 47 -184 0 + 4 e 272 215 etot -8.6481E+01 mv 2 14 80 -14 0 c 80 2.3 0.0 + 4 e 348 201 etot -7.6031E+01 mv 2 14 111 -94 0 + 4 e 227 221 etot -7.1866E+01 mv 2 14 53 -139 0 + 4 e 416 178 etot -8.0820E+01 mv 6 14 60 74 0 + 4 e 401 179 etot -7.7074E+01 mv 6 14 60 18 0 + -1 e 1 241 etot 1.3528E+20 mv 2 14 7 -149 0 + 4 e 201 219 etot -9.0669E+01 mv 2 14 35 -142 0 + 4 e 323 222 etot -7.0457E+01 mv 2 14 53 -70 0 + 4 e 277 212 etot -5.7218E+01 mv 2 14 80 -188 0 + 4 e 255 217 etot -7.9396E+01 mv 2 14 35 -9 0 + 4 e 310 225 etot -8.4675E+01 mv 2 14 53 -100 0 c 53 1.4 0.0 + 4 e 275 232 etot -8.1397E+01 mv 2 14 47 -129 0 + 4 e 340 228 etot -6.8871E+01 mv 2 14 109 -54 0 + -1 e 1 252 etot 1.3528E+20 mv 2 14 61 -66 0 + 4 e 513 207 etot -8.1834E+01 mv 2 14 91 -46 0 + 4 e 368 224 etot -7.5279E+01 mv 2 14 53 -101 0 + 4 e 451 198 etot -8.5836E+01 mv 6 14 113 73 0 c 159 242.4 2.3 + 4 e 325 218 etot -7.4675E+01 mv 2 14 35 -84 0 + -1 e 1 257 etot 1.3528E+20 mv 2 14 195 -110 0 + 4 e 174 245 etot -8.4512E+01 mv 2 14 7 -133 0 c 7 3.6 0.0 + 4 e 522 211 etot -8.0349E+01 mv 2 14 80 -45 0 + 4 e 258 230 etot -8.4415E+01 mv 2 14 109 -79 0 + 4 e 194 238 etot -8.7293E+01 mv 2 14 54 -128 0 + -1 e 1 262 etot 1.3528E+20 mv 2 14 26 -113 0 + 4 e 362 233 etot -7.7399E+01 mv 2 14 47 -44 0 + 4 e 453 223 etot -8.1016E+01 mv 2 14 53 -94 0 + 4 e 127 251 etot -8.3603E+01 mv 2 14 61 -76 0 c 61 0.8 0.0 + 4 e 239 235 etot -6.8706E+01 mv 2 14 47 -137 0 + -1 e 1 267 etot 1.3528E+20 mv 2 14 173 -191 0 + 4 e 474 226 etot -7.6323E+01 mv 2 14 109 -155 0 + 4 e 477 208 etot -7.4368E+01 mv 2 14 91 -82 0 + 4 e 330 236 etot -7.8892E+01 mv 2 14 54 -29 0 + 4 e 214 246 etot -6.2169E+01 mv 2 14 5 -152 0 + 4 e 334 240 etot -8.7293E+01 mv 2 14 54 -56 0 + -1 e 1 272 etot 1.3528E+20 mv 2 14 122 -168 0 + 4 e 601 227 etot -8.0230E+01 mv 2 14 109 -25 0 + 4 e 127 261 etot -8.3527E+01 mv 2 14 26 -183 0 c 143 0.8 0.0 + 4 e 392 242 etot -8.0762E+01 mv 2 14 7 -92 0 + 4 e 189 255 etot -8.3604E+01 mv 2 14 61 -155 0 c 61 1.0 0.0 + 4 e 527 214 etot -8.2769E+01 mv 2 14 80 -165 0 + 4 e 439 239 etot -8.3550E+01 mv 2 14 54 -135 0 f 160 453.3 7.1 + 4 e 322 253 etot -8.3508E+01 mv 2 14 61 -102 0 + 4 e 554 210 etot -6.7244E+01 mv 2 14 91 -189 0 + 4 e 317 243 etot -8.4511E+01 mv 2 14 7 -20 0 + 4 e 248 265 etot -8.2040E+01 mv 2 14 26 -43 0 + -1 e 1 284 etot 1.3528E+20 mv 2 14 158 -124 0 + 4 e 252 264 etot -8.0921E+01 mv 2 14 26 -124 0 + 4 e 468 237 etot -8.3543E+01 mv 2 14 54 -120 0 + 4 e 289 254 etot -6.6947E+01 mv 2 14 61 -186 0 + 4 e 310 263 etot -6.8571E+01 mv 2 14 26 -182 0 + 4 e 167 275 etot -7.4685E+01 mv 2 14 122 -120 0 + 4 e 268 258 etot -6.9951E+01 mv 2 14 195 -177 0 + 4 e 336 266 etot -8.1847E+01 mv 2 14 173 -5 0 + 4 e 268 271 etot -8.1452E+01 mv 2 14 122 -191 0 + 4 e 359 269 etot -7.3200E+01 mv 2 14 173 -186 0 + 4 e 206 277 etot -7.4545E+01 mv 2 14 171 -23 0 + 4 e 436 259 etot -8.3336E+01 mv 2 14 195 -115 0 + 4 e 399 268 etot -7.6738E+01 mv 2 14 173 -161 0 f 4 488.4 0.2 + 4 e 715 205 etot -7.9001E+01 mv 2 14 111 -88 0 + 4 e 481 260 etot -8.3335E+01 mv 2 14 195 -130 0 + -1 e 1 299 etot 1.3528E+20 mv 2 14 113 -185 0 + 4 e 591 250 etot -7.9361E+01 mv 2 14 5 -38 0 + -1 e 1 301 etot 1.3528E+20 mv 1 14 111 -36 0 + 4 e 248 285 etot -7.3144E+01 mv 2 14 158 -67 0 + 4 e 392 273 etot -7.2848E+01 mv 2 14 122 -127 0 + 4 e 531 247 etot -5.8454E+01 mv 2 14 5 -197 0 + 4 e 471 248 etot -7.3433E+01 mv 2 14 5 -32 0 + 4 e 534 244 etot -8.2407E+01 mv 2 14 7 -61 0 + 4 e 327 270 etot -7.4574E+01 mv 2 14 173 -178 0 + 4 e 240 292 etot -7.3928E+01 mv 2 14 97 -174 0 + 4 e 219 293 etot -7.0031E+01 mv 2 14 97 -93 0 + 4 e 501 249 etot -8.4011E+01 mv 2 14 5 -15 0 + 4 e 216 294 etot -7.6264E+01 mv 2 14 97 -63 0 + 4 e 230 296 etot -8.0382E+01 mv 2 14 113 -174 0 + 4 e 266 283 etot -7.5101E+01 mv 2 14 158 -52 0 + 4 e 397 288 etot -7.9503E+01 mv 2 14 60 -183 0 + 4 e 408 289 etot -8.0382E+01 mv 2 14 60 -135 0 + 4 e 462 287 etot -7.1999E+01 mv 2 14 60 -36 0 + 4 e 475 281 etot -7.7814E+01 mv 2 14 158 -17 0 + 4 e 403 290 etot -7.7961E+01 mv 2 14 60 -184 0 f 72 412.6 1.4 + 4 e 215 305 etot -8.2439E+01 mv 1 14 111 -92 0 + 4 e 340 297 etot -7.5900E+01 mv 2 14 113 -21 0 + 4 e 260 304 etot -6.8752E+01 mv 1 14 111 -67 0 + 4 e 362 282 etot -8.2204E+01 mv 2 14 158 -120 0 + 4 e 162 306 etot -8.6181E+01 mv 1 14 91 -122 0 c 32 43.3 1.1 + 4 e 339 302 etot -7.5172E+01 mv 1 14 111 -83 0 + 4 e 284 303 etot -7.0117E+01 mv 1 14 111 -49 0 + 4 e 409 279 etot -7.9742E+01 mv 2 14 171 -198 0 + 4 e 626 278 etot -7.3193E+01 mv 2 14 171 -35 0 + 4 e 594 280 etot -7.3921E+01 mv 2 14 171 -123 0 + 4 e 255 298 etot -7.7743E+01 mv 2 14 113 -2 0 + 4 e 241 309 etot -7.0044E+01 mv 1 14 91 -24 0 + 4 e 466 295 etot -7.8734E+01 mv 2 14 97 -9 0 + 4 e 597 286 etot -8.2107E+01 mv 2 14 60 -67 0 c 110 174.8 0.7 + 4 e 281 310 etot -8.2597E+01 mv 1 14 91 -129 0 + 4 e 205 311 etot -8.6481E+01 mv 1 14 80 -168 0 c 80 1.9 0.0 + 4 e 516 300 etot -8.0619E+01 mv 2 14 113 -29 0 c 113 208.9 0.2 + 4 e 363 312 etot -8.5725E+01 mv 1 14 80 -95 0 + 4 e 208 322 etot -6.5105E+01 mv 1 14 53 -157 0 + 4 e 251 320 etot -9.0444E+01 mv 1 14 35 -84 0 + 4 e 198 325 etot -8.4675E+01 mv 1 14 53 -138 0 c 53 0.9 0.0 + 4 e 162 331 etot -8.4125E+01 mv 1 14 47 -90 0 c 47 1.5 0.0 + 4 e 615 274 etot -7.6057E+01 mv 2 14 122 -87 0 + 4 e 447 291 etot -7.4957E+01 mv 2 14 97 -63 0 + 4 e 301 316 etot -6.3502E+01 mv 1 14 35 -182 0 + -1 e 1 344 etot 1.3528E+20 mv 1 14 7 -82 0 + 4 e 198 328 etot -5.8027E+01 mv 1 14 109 -122 0 + 4 e 188 333 etot -8.1850E+01 mv 1 14 47 -75 0 + 4 e 308 317 etot -9.0444E+01 mv 1 14 35 -26 0 + 4 e 744 256 etot -8.1618E+01 mv 2 14 195 -26 0 + -1 e 1 348 etot 1.3528E+20 mv 1 14 5 -145 0 + 4 e 310 319 etot -8.1057E+01 mv 1 14 35 -155 0 + 4 e 590 276 etot -7.2833E+01 mv 2 14 171 -75 0 + 4 e 330 318 etot -9.0669E+01 mv 1 14 35 -54 0 + 4 e 333 321 etot -8.3641E+01 mv 1 14 53 -147 0 + 4 e 350 307 etot -8.0321E+01 mv 1 14 91 -11 0 f 75 491.5 3.8 + 4 e 181 335 etot -8.2672E+01 mv 1 14 47 -185 0 + 4 e 267 324 etot -8.4167E+01 mv 1 14 53 -45 0 + 4 e 187 341 etot -8.4512E+01 mv 1 14 7 -11 0 + 4 e 276 323 etot -8.1768E+01 mv 1 14 53 -46 0 + 4 e 194 345 etot -7.7431E+01 mv 1 14 7 -95 0 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mv 1 14 26 -108 0 + -1 e 1 380 etot 1.3528E+20 mv 1 14 171 -118 0 + 4 e 366 354 etot -8.1188E+01 mv 1 14 61 -96 0 c 175 358.5 3.0 + 4 e 320 342 etot -8.3147E+01 mv 1 14 7 -103 0 + 4 e 455 353 etot -7.7689E+01 mv 1 14 61 -125 0 + 4 e 269 362 etot -8.0920E+01 mv 1 14 26 -170 0 + 4 e 312 355 etot -8.4157E+01 mv 1 14 61 -121 0 c 61 187.5 0.6 + 4 e 272 370 etot -8.3534E+01 mv 1 14 173 -81 0 c 173 4.1 0.0 + 4 e 383 358 etot -6.9356E+01 mv 1 14 195 -188 0 + 4 e 592 339 etot -7.8199E+01 mv 1 14 54 -101 0 + 4 e 204 366 etot -8.1996E+01 mv 1 14 173 -182 0 + 4 e 213 376 etot -8.0835E+01 mv 1 14 171 -166 0 + 4 e 306 365 etot -8.3526E+01 mv 1 14 26 -154 0 + 4 e 379 360 etot -8.3337E+01 mv 1 14 195 -85 0 + 4 e 248 375 etot -7.4868E+01 mv 1 14 122 -52 0 + 4 e 275 373 etot -7.3308E+01 mv 1 14 122 -123 0 + 4 e 312 369 etot -8.0398E+01 mv 1 14 173 -21 0 + 4 e 422 343 etot -7.7676E+01 mv 1 14 7 -93 0 + 4 e 314 357 etot -8.1946E+01 mv 1 14 195 -76 0 + 4 e 212 379 etot -8.0835E+01 mv 1 14 171 -32 0 + 4 e 418 349 etot -8.4260E+01 mv 1 14 5 -187 0 c 5 64.3 0.2 + 4 e 324 356 etot -8.3124E+01 mv 1 14 195 -18 0 + 4 e 147 383 etot -6.5356E+01 mv 1 14 158 -155 0 + 4 e 433 367 etot -7.3120E+01 mv 1 14 173 -24 0 + 4 e 129 393 etot -7.5780E+01 mv 1 14 97 -34 0 + 4 e 291 382 etot -7.2704E+01 mv 1 14 158 -76 0 + 4 e 461 368 etot -8.1847E+01 mv 1 14 173 -193 0 + 4 e 373 377 etot -7.7553E+01 mv 1 14 171 -168 0 + 4 e 386 359 etot -8.3598E+01 mv 1 14 195 -60 0 + 4 e 433 374 etot -8.0408E+01 mv 1 14 122 -29 0 + 4 e 80 402 etot -8.6546E+01 mv 0 14 91 0 0 c 32 4.6 0.4 + 4 e 82 404 etot -9.0670E+01 mv 0 14 35 0 0 c 35 0.4 0.0 + 4 e 365 387 etot -8.0158E+01 mv 1 14 60 -113 0 + 4 e 105 405 etot -8.4675E+01 mv 0 14 53 0 0 c 53 0.6 0.0 + 4 e 439 381 etot -8.0331E+01 mv 1 14 158 -111 0 + 4 e 251 395 etot -7.9046E+01 mv 1 14 97 -3 0 + 4 e 288 384 etot -7.6543E+01 mv 1 14 158 -41 0 + 4 e 293 399 etot -8.0430E+01 mv 1 14 113 -107 0 + 4 e 335 389 etot -7.6692E+01 mv 1 14 60 -118 0 + 4 e 92 407 etot -8.4125E+01 mv 0 14 47 0 0 c 47 0.6 0.0 + 4 e 80 411 etot -8.3604E+01 mv 0 14 61 0 0 +## N0 total= 20 close= 14 far= 0 %acc 70.0 +## N1 total= 100 close= 12 far= 2 %acc 14.0 +## N2 total= 100 close= 10 far= 3 %acc 13.0 +## N3 total= 0 close= 0 far= 0 %acc 0.0 +## N4 total= 0 close= 0 far= 0 %acc 0.0 +## N5 total= 0 close= 0 far= 0 %acc 0.0 +## N6 total= 200 close= 41 far= 17 %acc 29.0 +## N7 total= 0 close= 0 far= 0 %acc 0.0 +## N8 total= 0 close= 0 far= 0 %acc 0.0 +## N9 total= 0 close= 0 far= 0 %acc 0.0 +##N10 total= 0 close= 0 far= 0 %acc 0.0 +##N11 total= 0 close= 0 far= 0 %acc 0.0 +##N12 total= 0 close= 0 far= 0 %acc 0.0 +##N13 total= 0 close= 0 far= 0 %acc 0.0 +##N14 total= 0 close= 0 far= 0 %acc 0.0 +##N15 total= 0 close= 0 far= 0 %acc 0.0 +##N16 total= 0 close= 0 far= 0 %acc 0.0 +##N17 total= 0 close= 0 far= 0 %acc 0.0 +##N18 total= 0 close= 0 far= 0 %acc 0.0 + Time for refresh 15 0.30 + make_var : nseed= 20 ntry= 420 + Time for make trial 16 0.05 +Nonsetup time 31.63 sec, Eval/s = 63806.32 +Time for iter 16 1.85 sec, Eval/s = 64978.54 + UPDATING 420 + 4 e 315 412 etot -8.3336E+01 mv 0 14 195 0 0 + 4 e 76 413 etot -8.3527E+01 mv 0 14 26 0 0 c 143 1.0 0.0 + 4 e 100 414 etot -8.1849E+01 mv 0 14 173 0 0 + 4 e 510 385 etot -7.8392E+01 mv 1 14 158 -157 0 + 4 e 498 388 etot -7.9697E+01 mv 1 14 60 -47 0 c 72 315.1 1.7 + 4 e 157 415 etot -8.1453E+01 mv 0 14 122 0 0 + 4 e 123 416 etot -8.0835E+01 mv 0 14 171 0 0 + 4 e 127 417 etot -8.2978E+01 mv 0 14 158 0 0 + 4 e 116 418 etot -8.0384E+01 mv 0 14 60 0 0 + 4 e 423 392 etot -6.3880E+01 mv 1 14 97 -24 0 + 4 e 70 419 etot -8.4020E+01 mv 0 14 97 0 0 c 97 0.7 0.0 + 4 e 367 391 etot -8.4019E+01 mv 1 14 97 -149 0 + 4 e 78 420 etot -8.0424E+01 mv 0 14 113 0 0 + 4 e 122 403 etot -8.6481E+01 mv 0 14 80 0 0 c 80 0.9 0.0 + 4 e 316 394 etot -8.0441E+01 mv 1 14 97 -50 0 + 4 e 160 406 etot -8.4416E+01 mv 0 14 109 0 0 c 109 0.6 0.0 + 4 e 110 409 etot -8.4512E+01 mv 0 14 7 0 0 c 7 1.0 0.0 + 4 e 573 363 etot -8.5789E+01 mv 1 14 26 -198 0 + 4 e 213 396 etot -8.0791E+01 mv 1 14 113 -14 0 c 113 214.6 0.2 + 4 e 343 371 etot -7.5856E+01 mv 1 14 122 -46 0 + 4 e 127 401 etot -8.2440E+01 mv 0 14 111 0 0 + 4 e 282 400 etot -8.0382E+01 mv 1 14 113 -88 0 + -1 e 1 16 etot 1.3528E+20 mv 6 15 91 40 0 + 4 e 416 398 etot -7.6436E+01 mv 1 14 113 -147 0 + 4 e 393 378 etot -7.4985E+01 mv 1 14 171 -46 0 + 4 e 139 410 etot -8.4013E+01 mv 0 14 5 0 0 + 4 e 226 386 etot -7.9869E+01 mv 1 14 60 -179 0 + -1 e 1 19 etot 1.3528E+20 mv 6 15 91 12 0 + 4 e 306 390 etot -8.3967E+01 mv 1 14 60 -57 0 f 184 408.0 7.4 + 4 e 557 372 etot -8.1068E+01 mv 1 14 122 -15 0 + 4 e 197 397 etot -7.7548E+01 mv 1 14 113 -195 0 f 177 447.7 0.9 + 4 e 542 352 etot -7.7397E+01 mv 1 14 61 -118 0 + 4 e 98 408 etot -8.7294E+01 mv 0 14 54 0 0 + 4 e 141 4 etot -8.1494E+01 mv 6 15 153 38 0 c 153 2.5 0.0 + 4 e 151 32 etot -8.1745E+01 mv 6 15 54 24 0 c 24 79.9 1.1 + 4 e 209 11 etot -8.0820E+01 mv 6 15 91 29 0 c 29 7.9 0.0 + 4 e 202 29 etot -7.2740E+01 mv 6 15 181 119 0 + 4 e 211 15 etot -8.5570E+01 mv 6 15 91 83 0 + 4 e 210 13 etot -6.5567E+01 mv 6 15 91 39 0 + 4 e 196 5 etot -8.3628E+01 mv 6 15 153 189 0 + 4 e 273 2 etot -7.3681E+01 mv 6 15 153 33 0 + 4 e 231 8 etot -7.8067E+01 mv 6 15 153 95 0 c 95 91.5 1.0 + 4 e 272 3 etot -8.1494E+01 mv 6 15 153 162 0 + 4 e 245 27 etot -7.7499E+01 mv 6 15 181 200 0 + 4 e 265 25 etot -8.2764E+01 mv 6 15 181 141 0 + 4 e 268 6 etot -8.1494E+01 mv 6 15 153 15 0 + 4 e 244 33 etot -8.0074E+01 mv 6 15 54 83 0 c 177 211.5 2.5 + 4 e 268 23 etot -8.3663E+01 mv 6 15 181 160 0 + 4 e 268 10 etot -7.7050E+01 mv 6 15 153 82 0 + 4 e 352 1 etot -7.8288E+01 mv 6 15 153 39 0 + 4 e 306 14 etot -8.5552E+01 mv 6 15 91 114 0 + 4 e 277 30 etot -8.1024E+01 mv 6 15 181 195 0 + 4 e 324 17 etot -8.7676E+01 mv 6 15 91 106 0 c 91 38.4 0.1 + 4 e 311 31 etot -7.8186E+01 mv 6 15 54 200 0 + 4 e 363 26 etot -7.6109E+01 mv 6 15 181 2 0 + 4 e 371 22 etot -7.2647E+01 mv 6 15 181 132 0 + -1 e 1 56 etot 1.3528E+20 mv 6 15 61 87 0 + -1 e 1 57 etot 1.3528E+20 mv 6 15 61 119 0 + 4 e 380 12 etot -7.7826E+01 mv 6 15 91 22 0 + 4 e 140 50 etot -6.9132E+01 mv 6 15 122 138 0 + 4 e 125 47 etot -7.8782E+01 mv 6 15 122 88 0 + 4 e 196 37 etot -8.2154E+01 mv 6 15 54 177 0 f 140 523.4 5.5 + 4 e 439 21 etot -7.2063E+01 mv 6 15 181 147 0 + -1 e 1 63 etot 1.3528E+20 mv 6 15 103 110 0 + 4 e 290 34 etot -8.6206E+01 mv 6 15 54 89 0 + 4 e 328 43 etot -8.2054E+01 mv 6 15 122 61 0 + 4 e 211 44 etot -8.2190E+01 mv 6 15 122 49 0 + 4 e 195 51 etot -8.2876E+01 mv 6 15 61 65 0 + 4 e 246 40 etot -8.8694E+01 mv 6 15 54 168 0 + 4 e 496 20 etot -8.0568E+01 mv 6 15 91 153 0 + 4 e 270 42 etot -8.2164E+01 mv 6 15 122 102 0 c 102 208.2 1.4 + 4 e 432 9 etot -8.1163E+01 mv 6 15 153 2 0 + 4 e 296 36 etot -8.4149E+01 mv 6 15 54 103 0 + 4 e 226 49 etot -8.6364E+01 mv 6 15 122 110 0 c 184 318.9 2.4 + 4 e 244 45 etot -8.2323E+01 mv 6 15 122 35 0 + 4 e 399 41 etot -8.9059E+01 mv 6 15 122 59 0 + 4 e 149 55 etot -6.8267E+01 mv 6 15 61 158 0 + 4 e 495 18 etot -8.0040E+01 mv 6 15 91 39 0 + 4 e 548 28 etot -7.8362E+01 mv 6 15 181 194 0 + 4 e 277 46 etot -8.3482E+01 mv 6 15 122 199 0 + 8 e 99 72 etot -6.3985E+01 mv 6 15 173 109 0 + 4 e 546 7 etot -8.2174E+01 mv 6 15 153 59 0 f 141 444.7 5.5 + 4 e 279 60 etot -8.5266E+01 mv 6 15 61 45 0 c 61 240.1 1.1 + 4 e 472 39 etot -7.0600E+01 mv 6 15 54 114 0 + -1 e 1 84 etot 1.3528E+20 mv 6 15 38 101 0 + 4 e 333 48 etot -8.2209E+01 mv 6 15 122 6 0 + -1 e 1 86 etot 1.3528E+20 mv 6 15 38 50 0 + 4 e 171 73 etot -7.2046E+01 mv 6 15 173 7 0 + 4 e 607 24 etot -8.4800E+01 mv 6 15 181 199 0 c 181 300.7 0.0 + 4 e 510 38 etot -7.7200E+01 mv 6 15 54 88 0 + 4 e 309 53 etot -7.0948E+01 mv 6 15 61 120 0 + 4 e 256 71 etot -7.2046E+01 mv 6 15 173 35 0 + -1 e 1 92 etot 1.3528E+20 mv 6 15 100 72 0 + 4 e 291 54 etot -8.4083E+01 mv 6 15 61 168 0 + -1 e 1 94 etot 1.3528E+20 mv 6 15 100 108 0 + 4 e 243 61 etot -7.6012E+01 mv 6 15 103 56 0 + -1 e 1 96 etot 1.3528E+20 mv 6 15 100 99 0 + 4 e 276 76 etot -7.8905E+01 mv 6 15 173 95 0 + 4 e 363 66 etot -8.3414E+01 mv 6 15 103 52 0 c 71 226.6 6.1 + 4 e 490 35 etot -8.3879E+01 mv 6 15 54 162 0 + 4 e 328 74 etot -8.1762E+01 mv 6 15 173 35 0 + 4 e 144 87 etot -8.1755E+01 mv 6 15 38 190 0 c 190 69.7 1.3 + 4 e 330 62 etot -7.9162E+01 mv 6 15 103 121 0 + 4 e 328 65 etot -7.8495E+01 mv 6 15 103 168 0 + 4 e 286 67 etot -6.8275E+01 mv 6 15 103 67 0 + -1 e 1 105 etot 1.0080E+22 mv 6 15 142 200 0 + 4 e 66 95 etot -8.1157E+01 mv 6 15 100 157 0 c 157 0.4 0.0 + 4 e 407 68 etot -8.0468E+01 mv 6 15 103 14 0 + 4 e 377 58 etot -8.0078E+01 mv 6 15 61 173 0 f 69 498.5 3.4 + 4 e 245 70 etot -8.4149E+01 mv 6 15 103 180 0 + -1 e 1 110 etot 1.3528E+20 mv 6 15 142 153 0 + 4 e 293 83 etot -8.1556E+01 mv 6 15 38 15 0 c 118 323.3 0.1 + 4 e 592 59 etot -8.4463E+01 mv 6 15 61 21 0 + 4 e 290 79 etot -8.3737E+01 mv 6 15 173 9 0 c 173 23.8 0.2 + 4 e 368 69 etot -8.4148E+01 mv 6 15 103 38 0 + 4 e 357 81 etot -7.8392E+01 mv 6 15 38 1 0 + 4 e 347 85 etot -8.2129E+01 mv 6 15 38 75 0 + 4 e 470 52 etot -7.7461E+01 mv 6 15 61 160 0 + 4 e 379 64 etot -7.8124E+01 mv 6 15 103 114 0 f 114 462.2 1.4 + 4 e 343 88 etot -7.6024E+01 mv 6 15 38 24 0 + 4 e 290 93 etot -7.8364E+01 mv 6 15 100 145 0 c 145 326.2 1.3 + 4 e 239 99 etot -7.3220E+01 mv 6 15 100 2 0 + 4 e 359 77 etot -7.6604E+01 mv 6 15 173 131 0 + 4 e 299 91 etot -7.6985E+01 mv 6 15 100 189 0 f 76 424.6 0.3 + 4 e 218 104 etot -7.0267E+01 mv 6 15 142 103 0 + 4 e 486 78 etot -8.1679E+01 mv 6 15 173 167 0 + 4 e 306 98 etot -8.1329E+01 mv 6 15 100 162 0 + 4 e 493 80 etot -8.3532E+01 mv 6 15 173 186 0 + 4 e 247 108 etot -8.6396E+01 mv 6 15 142 53 0 c 142 175.6 3.3 + 4 e 456 90 etot -8.1244E+01 mv 6 15 38 51 0 + 4 e 453 75 etot -8.2246E+01 mv 6 15 173 113 0 + 4 e 322 101 etot -8.0280E+01 mv 6 15 142 130 0 f 4 405.7 3.5 + 4 e 261 113 etot -8.0935E+01 mv 6 15 6 133 0 + 4 e 557 82 etot -8.4616E+01 mv 6 15 38 69 0 + 4 e 261 103 etot -8.2605E+01 mv 6 15 142 154 0 + -1 e 1 135 etot 1.3528E+20 mv 6 15 111 37 0 + 4 e 273 117 etot -8.2333E+01 mv 6 15 6 152 0 c 6 2.3 0.0 + 4 e 271 100 etot -8.3487E+01 mv 6 15 100 106 0 c 100 2.7 0.0 + 4 e 309 97 etot -7.6129E+01 mv 6 15 100 163 0 + 4 e 357 112 etot -7.9088E+01 mv 6 15 6 101 0 + 4 e 265 120 etot -8.6726E+01 mv 6 15 6 147 0 + 4 e 351 116 etot -8.1262E+01 mv 6 15 6 18 0 f 85 428.5 4.5 + 4 e 262 107 etot -8.4415E+01 mv 6 15 142 65 0 + 4 e 485 102 etot -7.9067E+01 mv 6 15 142 111 0 + -1 e 1 144 etot 1.3528E+20 mv 6 15 5 42 0 + 4 e 397 89 etot -8.5560E+01 mv 6 15 38 37 0 + 4 e 424 115 etot -8.2155E+01 mv 6 15 6 122 0 + 4 e 413 114 etot -8.1848E+01 mv 6 15 6 44 0 + 4 e 321 126 etot -7.7079E+01 mv 6 15 152 157 0 + 4 e 271 129 etot -7.7268E+01 mv 6 15 152 121 0 + 4 e 336 109 etot -8.3387E+01 mv 6 15 142 194 0 + 4 e 367 125 etot -7.5412E+01 mv 6 15 152 168 0 + 4 e 326 128 etot -7.9228E+01 mv 6 15 152 97 0 + 4 e 270 119 etot -8.0369E+01 mv 6 15 6 106 0 + 4 e 289 132 etot -8.6018E+01 mv 6 15 111 83 0 c 111 4.0 0.0 + 4 e 300 123 etot -8.0763E+01 mv 6 15 152 37 0 c 116 271.5 3.5 + 4 e 288 133 etot -8.5122E+01 mv 6 15 111 98 0 + 4 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418.8 0.5 + 4 e 418 293 etot -7.6405E+01 mv 2 15 119 -49 0 + -1 e 1 334 etot 1.3528E+20 mv 1 15 103 -152 0 + 4 e 325 300 etot -8.0098E+01 mv 2 15 158 -14 0 + 4 e 255 310 etot -8.7557E+01 mv 1 15 91 -30 0 + 4 e 220 304 etot -7.9183E+01 mv 1 15 153 -36 0 + 4 e 271 313 etot -8.1395E+01 mv 1 15 181 -22 0 f 67 437.0 3.9 + -1 e 1 339 etot 1.3528E+20 mv 1 15 173 -15 0 + 4 e 334 292 etot -7.1324E+01 mv 2 15 119 -77 0 + 4 e 249 317 etot -8.7631E+01 mv 1 15 54 -140 0 c 54 2.0 0.0 + -1 e 1 342 etot 1.5841E+20 mv 1 15 38 -40 0 + 4 e 434 283 etot -7.9273E+01 mv 2 15 13 -89 0 + 4 e 161 328 etot -7.2198E+01 mv 1 15 61 -25 0 + 4 e 296 315 etot -7.6995E+01 mv 1 15 181 -190 0 + 4 e 249 318 etot -8.7631E+01 mv 1 15 54 -167 0 c 54 1.8 0.0 + 4 e 172 330 etot -8.3961E+01 mv 1 15 61 -141 0 + 4 e 482 297 etot -8.1629E+01 mv 2 15 158 -135 0 + 4 e 208 332 etot -7.1186E+01 mv 1 15 103 -135 0 + 4 e 327 319 etot -8.4704E+01 mv 1 15 54 -173 0 + 4 e 233 331 etot -8.3155E+01 mv 1 15 103 -156 0 + 4 e 171 340 etot 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349 etot -8.3486E+01 mv 1 15 100 -183 0 + -1 e 1 392 etot 1.3528E+20 mv 1 15 119 -126 0 + 4 e 587 314 etot -8.3309E+01 mv 1 15 181 -56 0 + 4 e 398 344 etot -8.9057E+01 mv 1 15 38 -159 0 + 4 e 164 380 etot -8.2146E+01 mv 1 15 30 -100 0 c 30 1.0 0.0 + 4 e 306 370 etot -8.5122E+01 mv 1 15 111 -192 0 + 4 e 135 385 etot -8.2145E+01 mv 1 15 13 -197 0 + 4 e 314 371 etot -8.4633E+01 mv 1 15 5 -165 0 c 5 1.9 0.0 + 4 e 255 378 etot -8.2145E+01 mv 1 15 30 -5 0 + 4 e 203 381 etot -8.2145E+01 mv 1 15 13 -58 0 + 4 e 229 382 etot -7.1812E+01 mv 1 15 13 -72 0 + 4 e 289 366 etot -8.6019E+01 mv 1 15 111 -108 0 + 4 e 399 369 etot -8.4064E+01 mv 1 15 111 -4 0 + 4 e 318 365 etot -8.2300E+01 mv 1 15 152 -49 0 + 4 e 87 401 etot -8.1494E+01 mv 0 15 153 0 0 + 4 e 728 348 etot -8.3483E+01 mv 1 15 100 -12 0 + 4 e 242 388 etot -8.4485E+01 mv 1 15 167 -30 0 c 167 1.2 0.0 + 4 e 101 402 etot -8.7558E+01 mv 0 15 91 0 0 + 4 e 350 367 etot -7.1613E+01 mv 1 15 111 -181 0 + 4 e 86 404 etot -8.7632E+01 mv 0 15 54 0 0 c 54 0.4 0.0 + 4 e 187 396 etot -8.2774E+01 mv 1 15 158 -3 0 + 4 e 153 390 etot -8.1775E+01 mv 1 15 167 -192 0 + 4 e 191 397 etot -8.3053E+01 mv 1 15 158 -6 0 + 4 e 561 368 etot -8.5022E+01 mv 1 15 111 -172 0 + 4 e 70 409 etot -8.4617E+01 mv 0 15 38 0 0 + 4 e 124 406 etot -8.4157E+01 mv 0 15 61 0 0 + 4 e 106 407 etot -8.4149E+01 mv 0 15 103 0 0 c 103 0.9 0.0 + 4 e 109 405 etot -8.4456E+01 mv 0 15 122 0 0 c 122 2.3 0.0 + 4 e 712 356 etot -8.4802E+01 mv 1 15 6 -107 0 +## N0 total= 22 close= 8 far= 0 %acc 36.4 +## N1 total= 98 close= 13 far= 4 %acc 17.3 +## N2 total= 100 close= 7 far= 5 %acc 12.0 +## N3 total= 0 close= 0 far= 0 %acc 0.0 +## N4 total= 0 close= 0 far= 0 %acc 0.0 +## N5 total= 0 close= 0 far= 0 %acc 0.0 +## N6 total= 200 close= 33 far= 17 %acc 25.0 +## N7 total= 0 close= 0 far= 0 %acc 0.0 +## N8 total= 0 close= 0 far= 0 %acc 0.0 +## N9 total= 0 close= 0 far= 0 %acc 0.0 +##N10 total= 0 close= 0 far= 0 %acc 0.0 +##N11 total= 0 close= 0 far= 0 %acc 0.0 +##N12 total= 0 close= 0 far= 0 %acc 0.0 +##N13 total= 0 close= 0 far= 0 %acc 0.0 +##N14 total= 0 close= 0 far= 0 %acc 0.0 +##N15 total= 0 close= 0 far= 0 %acc 0.0 +##N16 total= 0 close= 0 far= 0 %acc 0.0 +##N17 total= 0 close= 0 far= 0 %acc 0.0 +##N18 total= 0 close= 0 far= 0 %acc 0.0 + Time for refresh 16 0.26 + make_var : nseed= 20 ntry= 420 + Time for make trial 17 0.09 +Nonsetup time 33.51 sec, Eval/s = 64028.62 +Time for iter 17 1.88 sec, Eval/s = 67762.99 + UPDATING 420 + 4 e 84 416 etot -8.2146E+01 mv 0 15 30 0 0 c 30 0.4 0.0 + 4 e 490 393 etot -7.8867E+01 mv 1 15 119 -62 0 + 4 e 92 417 etot -8.2145E+01 mv 0 15 13 0 0 + 4 e 132 414 etot -8.6019E+01 mv 0 15 111 0 0 + 4 e 430 383 etot -7.4396E+01 mv 1 15 13 -97 0 + 4 e 99 411 etot -8.3110E+01 mv 0 15 142 0 0 + 4 e 523 387 etot -8.0653E+01 mv 1 15 167 -61 0 + 4 e 718 362 etot -7.5164E+01 mv 1 15 152 -102 0 + 4 e 284 400 etot -8.3053E+01 mv 1 15 158 -25 0 + 4 e 81 420 etot -8.3054E+01 mv 0 15 158 0 0 c 158 0.4 0.0 + 4 e 482 379 etot -7.3006E+01 mv 1 15 30 -151 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207 etot -7.2056E+01 mv 2 16 32 -171 0 + 4 e 365 217 etot -7.8569E+01 mv 2 16 39 -200 0 + 4 e 210 233 etot -8.4960E+01 mv 2 16 38 -20 0 c 38 2.4 0.0 + 8 e 4 251 etot -6.3992E+01 mv 2 16 173 -136 0 + 4 e 405 201 etot -7.4878E+01 mv 2 16 190 -159 0 + 4 e 170 240 etot -7.3896E+01 mv 2 16 167 -29 0 + 4 e 247 236 etot -8.2804E+01 mv 2 16 167 -99 0 + 4 e 340 227 etot -8.0807E+01 mv 2 16 61 -6 0 + 4 e 183 237 etot -6.9889E+01 mv 2 16 167 -33 0 + 4 e 377 229 etot -7.9986E+01 mv 2 16 61 -54 0 + 4 e 488 220 etot -8.0048E+01 mv 2 16 39 -91 0 + 4 e 466 205 etot -7.9567E+01 mv 2 16 190 -78 0 + 4 e 379 232 etot -7.7414E+01 mv 2 16 38 -17 0 + 4 e 496 199 etot -8.2958E+01 mv 6 16 13 84 0 + 4 e 306 238 etot -7.9057E+01 mv 2 16 167 -141 0 + -1 e 1 262 etot 1.7347E+38 mv 2 16 142 -71 0 + 4 e 373 234 etot -8.0069E+01 mv 2 16 38 -113 0 + 4 e 682 209 etot -7.3491E+01 mv 2 16 32 -144 0 + 4 e 455 231 etot -8.0068E+01 mv 2 16 38 -10 0 + 4 e 372 242 etot -7.2350E+01 mv 2 16 195 -38 0 + 4 e 231 255 etot 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0.0 + 4 e 65 401 etot -8.1755E+01 mv 0 16 190 0 0 + 4 e 455 358 etot -7.9257E+01 mv 1 16 184 -58 0 + 4 e 257 383 etot -6.7719E+01 mv 1 16 93 -188 0 + 4 e 270 380 etot -8.1619E+01 mv 1 16 71 -3 0 + 4 e 196 396 etot -8.4492E+01 mv 1 16 13 -173 0 + 4 e 493 373 etot -7.4269E+01 mv 1 16 160 -25 0 + 4 e 288 388 etot -7.9542E+01 mv 1 16 24 -127 0 + 4 e 86 405 etot -8.7684E+01 mv 0 16 150 0 0 c 150 0.4 0.0 + 4 e 218 397 etot -6.7352E+01 mv 1 16 13 -123 0 + 4 e 391 381 etot -7.7296E+01 mv 1 16 93 -58 0 + 4 e 262 393 etot -8.1011E+01 mv 1 16 86 -150 0 + 4 e 121 404 etot -8.5410E+01 mv 0 16 39 0 0 + 4 e 322 377 etot -6.6366E+01 mv 1 16 71 -43 0 +## N0 total= 17 close= 8 far= 0 %acc 47.1 +## N1 total= 103 close= 8 far= 3 %acc 10.7 +## N2 total= 100 close= 7 far= 2 %acc 9.0 +## N3 total= 0 close= 0 far= 0 %acc 0.0 +## N4 total= 0 close= 0 far= 0 %acc 0.0 +## N5 total= 0 close= 0 far= 0 %acc 0.0 +## N6 total= 200 close= 39 far= 6 %acc 22.5 +## N7 total= 0 close= 0 far= 0 %acc 0.0 +## N8 total= 0 close= 0 far= 0 %acc 0.0 +## N9 total= 0 close= 0 far= 0 %acc 0.0 +##N10 total= 0 close= 0 far= 0 %acc 0.0 +##N11 total= 0 close= 0 far= 0 %acc 0.0 +##N12 total= 0 close= 0 far= 0 %acc 0.0 +##N13 total= 0 close= 0 far= 0 %acc 0.0 +##N14 total= 0 close= 0 far= 0 %acc 0.0 +##N15 total= 0 close= 0 far= 0 %acc 0.0 +##N16 total= 0 close= 0 far= 0 %acc 0.0 +##N17 total= 0 close= 0 far= 0 %acc 0.0 +##N18 total= 0 close= 0 far= 0 %acc 0.0 + Time for refresh 17 0.32 + make_var : nseed= 20 ntry= 420 + Time for make trial 18 0.14 +Nonsetup time 35.44 sec, Eval/s = 63944.50 +Time for iter 18 1.93 sec, Eval/s = 62483.69 + UPDATING 420 + 4 e 309 389 etot -8.0332E+01 mv 1 16 24 -40 0 + 4 e 90 412 etot -8.6364E+01 mv 0 16 184 0 0 + 4 e 82 415 etot -8.3551E+01 mv 0 16 160 0 0 + 4 e 116 419 etot -8.1553E+01 mv 0 16 86 0 0 + 4 e 401 386 etot -8.1744E+01 mv 1 16 24 -36 0 + 4 e 110 417 etot -8.1986E+01 mv 0 16 93 0 0 c 93 1.3 0.0 + 4 e 639 370 etot -8.0295E+01 mv 1 16 5 -68 0 + 4 e 171 416 etot -8.3416E+01 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-50 0 + 4 e 155 285 etot -8.2759E+01 mv 2 17 81 -32 0 + -1 e 1 303 etot 1.3528E+20 mv 1 17 59 -18 0 + 4 e 298 271 etot -8.1855E+01 mv 2 17 41 -194 0 + 4 e 206 282 etot -6.1625E+01 mv 2 17 81 -174 0 + 4 e 260 264 etot -8.3366E+01 mv 2 17 190 -124 0 + 4 e 251 268 etot -7.2816E+01 mv 2 17 126 -143 0 + 4 e 265 278 etot -7.7902E+01 mv 2 17 159 -147 0 + 4 e 220 291 etot -7.5445E+01 mv 2 17 118 -120 0 + 4 e 231 279 etot -8.2704E+01 mv 2 17 159 -178 0 f 78 372.1 4.5 + 4 e 268 277 etot -7.7688E+01 mv 2 17 159 -24 0 + 4 e 240 294 etot -8.0429E+01 mv 2 17 118 -169 0 + 4 e 289 290 etot -8.2685E+01 mv 2 17 70 -42 0 + 4 e 226 297 etot -5.9075E+01 mv 2 17 102 -27 0 + 4 e 474 274 etot -8.4538E+01 mv 2 17 41 -9 0 c 41 202.7 1.4 + 4 e 374 284 etot -7.6059E+01 mv 2 17 81 -172 0 + 4 e 251 295 etot -8.4081E+01 mv 2 17 118 -113 0 c 118 2.8 0.0 + 4 e 227 289 etot -6.5467E+01 mv 2 17 70 -109 0 + 4 e 353 288 etot -7.8446E+01 mv 2 17 70 -23 0 + 4 e 340 292 etot -6.8253E+01 mv 2 17 118 -69 0 + 4 e 187 296 etot -8.2164E+01 mv 2 17 102 -174 0 c 102 0.9 0.0 + 4 e 203 306 etot -8.8499E+01 mv 1 17 77 -189 0 c 77 2.1 0.0 + 4 e 513 276 etot -7.5478E+01 mv 2 17 159 -188 0 + 4 e 554 272 etot -7.5965E+01 mv 2 17 41 -67 0 + 4 e 629 267 etot -5.6848E+01 mv 2 17 126 -117 0 + 4 e 348 301 etot -7.8028E+01 mv 1 17 59 -191 0 + 4 e 357 299 etot -7.8578E+01 mv 2 17 102 -12 0 f 106 392.2 0.4 + 4 e 509 283 etot -7.8071E+01 mv 2 17 81 -64 0 + 4 e 330 305 etot -7.9424E+01 mv 1 17 59 -163 0 + 4 e 337 304 etot -8.1280E+01 mv 1 17 59 -28 0 f 16 398.8 3.0 + 4 e 399 280 etot -8.0469E+01 mv 2 17 159 -67 0 + 4 e 403 281 etot -8.3874E+01 mv 2 17 81 -59 0 + -1 e 1 333 etot 1.3528E+20 mv 1 17 38 -80 0 + 4 e 188 321 etot -7.5125E+01 mv 1 17 184 -155 0 + 4 e 375 309 etot -8.8498E+01 mv 1 17 77 -100 0 + 4 e 238 316 etot -8.7304E+01 mv 1 17 13 -159 0 + 4 e 259 315 etot -8.6402E+01 mv 1 17 91 -30 0 + 4 e 232 323 etot -7.7863E+01 mv 1 17 184 -107 0 + -1 e 1 339 etot 1.3528E+20 mv 1 17 39 -147 0 + 4 e 313 307 etot -8.0422E+01 mv 1 17 77 -32 0 + 4 e 265 320 etot -7.1197E+01 mv 1 17 13 -109 0 + 4 e 229 324 etot -8.6567E+01 mv 1 17 184 -26 0 + 4 e 160 331 etot -8.5756E+01 mv 1 17 38 -45 0 + 4 e 426 293 etot -7.1690E+01 mv 2 17 118 -111 0 + 4 e 127 335 etot -8.5757E+01 mv 1 17 38 -66 0 c 38 0.4 0.0 + -1 e 1 346 etot 1.3528E+20 mv 1 17 67 -45 0 + 4 e 352 317 etot -8.0940E+01 mv 1 17 13 -61 0 + 4 e 385 314 etot -8.7813E+01 mv 1 17 91 -128 0 + 4 e 382 308 etot -8.7033E+01 mv 1 17 77 -125 0 + -1 e 1 350 etot 1.3528E+20 mv 1 17 67 -85 0 + 4 e 294 311 etot -8.4693E+01 mv 1 17 91 -94 0 + 4 e 470 310 etot -8.5272E+01 mv 1 17 77 -104 0 c 133 193.5 3.0 + 4 e 661 263 etot -7.8880E+01 mv 2 17 190 -157 0 + 4 e 277 327 etot -8.6477E+01 mv 1 17 34 -64 0 + 4 e 415 318 etot -7.5705E+01 mv 1 17 13 -88 0 + 4 e 203 336 etot -8.5695E+01 mv 1 17 39 -109 0 + 4 e 342 326 etot -8.6498E+01 mv 1 17 34 -178 0 + 4 e 291 330 etot -8.5466E+01 mv 1 17 34 -160 0 + 4 e 238 337 etot -6.8686E+01 mv 1 17 39 -7 0 + 4 e 394 325 etot -8.6566E+01 mv 1 17 184 -8 0 + -1 e 1 361 etot 9.0068E+27 mv 1 17 190 -167 0 + 4 e 344 328 etot -7.6526E+01 mv 1 17 34 -136 0 + -1 e 1 363 etot 1.3528E+20 mv 1 17 190 -80 0 + 4 e 492 298 etot -7.6145E+01 mv 2 17 102 -41 0 + 4 e 517 313 etot -8.6457E+01 mv 1 17 91 -88 0 + 4 e 229 340 etot -8.5694E+01 mv 1 17 39 -80 0 + -1 e 1 367 etot 1.3528E+20 mv 1 17 126 -94 0 + 4 e 203 334 etot -8.4960E+01 mv 1 17 38 -179 0 + 4 e 339 319 etot -6.0839E+01 mv 1 17 13 -198 0 + 4 e 125 345 etot -8.5303E+01 mv 1 17 173 -152 0 c 173 1.7 0.0 + 4 e 385 329 etot -8.6498E+01 mv 1 17 34 -80 0 + -1 e 1 372 etot 1.3528E+20 mv 1 17 41 -135 0 + 4 e 241 344 etot -7.2454E+01 mv 1 17 173 -37 0 + 4 e 268 342 etot -7.4624E+01 mv 1 17 173 -6 0 + 4 e 521 302 etot -7.3062E+01 mv 1 17 59 -39 0 + 4 e 336 338 etot -7.2692E+01 mv 1 17 39 -67 0 + -1 e 1 377 etot 4.6127E+21 mv 1 17 159 -92 0 + 4 e 183 355 etot -8.4754E+01 mv 1 17 56 -128 0 + 4 e 469 312 etot -7.7971E+01 mv 1 17 91 -70 0 + 4 e 221 357 etot -8.3641E+01 mv 1 17 160 -16 0 + -1 e 1 381 etot 1.3528E+20 mv 1 17 81 -68 0 + 4 e 347 348 etot -8.3871E+01 mv 1 17 67 -178 0 + 4 e 157 365 etot -8.3584E+01 mv 1 17 190 -28 0 + 4 e 185 375 etot -8.2876E+01 mv 1 17 41 -180 0 + 4 e 240 368 etot -7.3970E+01 mv 1 17 126 -24 0 + 4 e 406 347 etot -8.6729E+01 mv 1 17 67 -9 0 + 4 e 286 360 etot -8.3640E+01 mv 1 17 160 -65 0 + -1 e 1 388 etot 1.3528E+20 mv 1 17 70 -1 0 + 4 e 291 364 etot -8.2902E+01 mv 1 17 190 -68 0 + 4 e 305 362 etot -8.0588E+01 mv 1 17 190 -139 0 + 4 e 404 349 etot -8.1005E+01 mv 1 17 67 -54 0 + 4 e 269 351 etot -8.4762E+01 mv 1 17 56 -10 0 + 4 e 173 371 etot -8.2877E+01 mv 1 17 41 -31 0 + 4 e 203 369 etot -7.1566E+01 mv 1 17 126 -86 0 + 4 e 357 359 etot -8.1948E+01 mv 1 17 160 -194 0 + 4 e 434 332 etot -8.3037E+01 mv 1 17 38 -53 0 + 4 e 271 374 etot -7.8433E+01 mv 1 17 41 -20 0 + 4 e 306 352 etot -6.8141E+01 mv 1 17 56 -112 0 + 4 e 533 343 etot -8.2120E+01 mv 1 17 173 -79 0 + 4 e 282 379 etot -8.5839E+01 mv 1 17 159 -37 0 + 4 e 318 378 etot -8.5675E+01 mv 1 17 159 -103 0 + 4 e 542 353 etot -7.0595E+01 mv 1 17 56 -48 0 + 4 e 207 380 etot -7.0623E+01 mv 1 17 159 -28 0 + 4 e 475 366 etot -7.1270E+01 mv 1 17 126 -77 0 + 4 e 216 386 etot -8.2685E+01 mv 1 17 70 -142 0 + 4 e 216 389 etot -8.0125E+01 mv 1 17 70 -44 0 + 4 e 653 322 etot -8.1105E+01 mv 1 17 184 -109 0 c 185 289.5 2.6 + 4 e 104 401 etot -7.9063E+01 mv 0 17 59 0 0 + 4 e 288 383 etot -7.2253E+01 mv 1 17 81 -154 0 + 4 e 106 402 etot -8.8499E+01 mv 0 17 77 0 0 c 77 1.3 0.0 + 4 e 613 358 etot -7.1306E+01 mv 1 17 160 -173 0 + 4 e 264 385 etot -8.3007E+01 mv 1 17 81 -143 0 + 4 e 301 376 etot -8.5838E+01 mv 1 17 159 -91 0 + 4 e 73 405 etot -8.6567E+01 mv 0 17 184 0 0 c 6 1.4 0.0 + 4 e 121 403 etot -8.7814E+01 mv 0 17 91 0 0 c 91 1.4 0.0 + 4 e 498 373 etot -8.0620E+01 mv 1 17 41 -128 0 + 4 e 186 400 etot -8.2164E+01 mv 1 17 102 -17 0 + 4 e 81 406 etot -8.6500E+01 mv 0 17 34 0 0 c 34 1.1 0.0 + 4 e 632 356 etot -8.2137E+01 mv 1 17 160 -108 0 +## N0 total= 21 close= 12 far= 0 %acc 57.1 +## N1 total= 99 close= 7 far= 1 %acc 8.1 +## N2 total= 100 close= 8 far= 2 %acc 10.0 +## N3 total= 0 close= 0 far= 0 %acc 0.0 +## N4 total= 0 close= 0 far= 0 %acc 0.0 +## N5 total= 0 close= 0 far= 0 %acc 0.0 +## N6 total= 200 close= 47 far= 8 %acc 27.5 +## N7 total= 0 close= 0 far= 0 %acc 0.0 +## N8 total= 0 close= 0 far= 0 %acc 0.0 +## N9 total= 0 close= 0 far= 0 %acc 0.0 +##N10 total= 0 close= 0 far= 0 %acc 0.0 +##N11 total= 0 close= 0 far= 0 %acc 0.0 +##N12 total= 0 close= 0 far= 0 %acc 0.0 +##N13 total= 0 close= 0 far= 0 %acc 0.0 +##N14 total= 0 close= 0 far= 0 %acc 0.0 +##N15 total= 0 close= 0 far= 0 %acc 0.0 +##N16 total= 0 close= 0 far= 0 %acc 0.0 +##N17 total= 0 close= 0 far= 0 %acc 0.0 +##N18 total= 0 close= 0 far= 0 %acc 0.0 + Time for refresh 18 0.26 + make_var : nseed= 20 ntry= 420 + Time for make trial 19 0.06 +Nonsetup time 37.16 sec, Eval/s = 64077.13 +Time for iter 19 1.72 sec, Eval/s = 66811.93 + UPDATING 420 + 4 e 115 409 etot -8.5303E+01 mv 0 17 173 0 0 + 4 e 135 416 etot -8.5839E+01 mv 0 17 159 0 0 + 4 e 78 420 etot -8.2164E+01 mv 0 17 102 0 0 c 102 0.7 0.0 + 4 e 87 412 etot -8.3641E+01 mv 0 17 160 0 0 c 160 0.5 0.0 + 4 e 87 419 etot -8.4081E+01 mv 0 17 118 0 0 c 118 1.8 0.0 + 4 e 111 417 etot -8.2759E+01 mv 0 17 81 0 0 + 4 e 160 415 etot -8.2877E+01 mv 0 17 41 0 0 + 4 e 642 390 etot -7.7785E+01 mv 1 17 70 -122 0 + 4 e 106 411 etot -8.4762E+01 mv 0 17 56 0 0 + 4 e 150 418 etot -8.2685E+01 mv 0 17 70 0 0 + 4 e 580 382 etot -7.4210E+01 mv 1 17 81 -117 0 + 4 e 598 398 etot -7.7643E+01 mv 1 17 102 -25 0 + 4 e 370 396 etot -8.2163E+01 mv 1 17 102 -63 0 + 4 e 324 391 etot -8.4081E+01 mv 1 17 118 -23 0 + 4 e 110 413 etot -8.3367E+01 mv 0 17 190 0 0 + 4 e 367 387 etot -7.3189E+01 mv 1 17 70 -134 0 + 4 e 122 410 etot -8.5065E+01 mv 0 17 67 0 0 + 4 e 112 407 etot -8.5757E+01 mv 0 17 38 0 0 + 4 e 380 392 etot -7.8233E+01 mv 1 17 118 -17 0 + -1 e 1 12 etot 1.3528E+20 mv 6 18 67 132 0 + 4 e 114 414 etot -8.2900E+01 mv 0 17 126 0 0 c 126 2.6 0.0 + 4 e 357 384 etot 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etot -7.7619E+01 mv 6 18 56 13 0 + 4 e 385 48 etot -8.7772E+01 mv 6 18 56 121 0 + 4 e 350 60 etot -8.4540E+01 mv 6 18 41 134 0 + 4 e 224 70 etot -8.4280E+01 mv 6 18 192 4 0 + 4 e 544 17 etot -8.4333E+01 mv 6 18 67 166 0 + 8 e 414 40 etot -6.3989E+01 mv 6 18 175 51 0 + 4 e 212 68 etot -8.0393E+01 mv 6 18 192 141 0 f 92 355.9 2.1 + 4 e 481 43 etot -8.3407E+01 mv 6 18 56 25 0 + 4 e 275 62 etot -8.0708E+01 mv 6 18 192 28 0 f 145 425.0 2.3 + 4 e 338 71 etot -8.3772E+01 mv 6 18 194 198 0 + 4 e 199 76 etot -8.4130E+01 mv 6 18 194 88 0 + 4 e 119 81 etot -8.2562E+01 mv 6 18 133 104 0 + 4 e 226 75 etot -8.2366E+01 mv 6 18 194 196 0 c 196 246.7 0.6 + 4 e 464 42 etot -8.5135E+01 mv 6 18 56 24 0 c 81 30.5 0.3 + -1 e 1 94 etot 1.3528E+20 mv 6 18 140 100 0 + 4 e 328 63 etot -7.9206E+01 mv 6 18 192 20 0 + 4 e 310 64 etot -8.1123E+01 mv 6 18 192 120 0 + 4 e 237 77 etot -7.0158E+01 mv 6 18 194 99 0 + 4 e 312 65 etot -7.8130E+01 mv 6 18 192 173 0 + 4 e 308 67 etot -7.7968E+01 mv 6 18 192 114 0 + 4 e 304 69 etot -8.1047E+01 mv 6 18 192 185 0 + 4 e 410 51 etot -8.5213E+01 mv 6 18 41 118 0 c 160 287.1 1.6 + 4 e 346 73 etot -8.4347E+01 mv 6 18 194 16 0 + -1 e 1 104 etot 1.3528E+20 mv 6 18 70 76 0 + 4 e 125 91 etot -6.8005E+01 mv 6 18 140 79 0 + 4 e 212 78 etot -6.7949E+01 mv 6 18 194 124 0 + 4 e 325 79 etot -6.9491E+01 mv 6 18 194 182 0 + 4 e 246 83 etot -8.2667E+01 mv 6 18 133 170 0 + 4 e 362 72 etot -8.0471E+01 mv 6 18 194 79 0 + 4 e 421 66 etot -8.0716E+01 mv 6 18 192 3 0 c 189 235.7 1.7 + -1 e 1 110 etot 1.3528E+20 mv 6 18 70 190 0 + 4 e 394 74 etot -7.0596E+01 mv 6 18 194 85 0 + 4 e 280 85 etot -8.5254E+01 mv 6 18 133 156 0 + 4 e 228 82 etot -8.2597E+01 mv 6 18 133 22 0 + 4 e 316 84 etot -8.0112E+01 mv 6 18 133 190 0 + 4 e 589 53 etot -7.8744E+01 mv 6 18 41 129 0 f 179 520.4 0.3 + 4 e 173 99 etot -8.4144E+01 mv 6 18 140 145 0 c 140 3.1 0.0 + 4 e 124 100 etot -8.5757E+01 mv 6 18 140 38 0 + -1 e 1 119 etot 4.0703E+20 mv 6 18 171 54 0 + 4 e 145 98 etot -7.2457E+01 mv 6 18 140 73 0 + 4 e 257 92 etot -8.4144E+01 mv 6 18 140 125 0 + 4 e 203 90 etot -8.5274E+01 mv 6 18 133 197 0 c 133 3.3 0.0 + -1 e 1 123 etot 1.3528E+20 mv 6 18 121 187 0 + 4 e 323 89 etot -8.3677E+01 mv 6 18 133 14 0 + 4 e 298 96 etot -7.6314E+01 mv 6 18 140 194 0 + 4 e 218 109 etot -8.2685E+01 mv 6 18 70 184 0 + 4 e 231 95 etot -8.4144E+01 mv 6 18 140 44 0 + 4 e 332 97 etot -8.3124E+01 mv 6 18 140 5 0 + 4 e 340 101 etot -8.4874E+01 mv 6 18 70 199 0 c 70 64.4 0.9 + 4 e 307 87 etot -8.1672E+01 mv 6 18 133 65 0 + 4 e 275 111 etot -8.1932E+01 mv 6 18 171 50 0 f 146 358.4 3.5 + 4 e 169 115 etot -8.4308E+01 mv 6 18 171 65 0 c 65 0.8 0.0 + 4 e 622 46 etot -7.9084E+01 mv 6 18 56 33 0 f 40 417.6 0.6 + 4 e 494 88 etot -8.1650E+01 mv 6 18 133 15 0 + 4 e 203 117 etot -8.3816E+01 mv 6 18 171 194 0 c 171 2.6 0.0 + 4 e 462 93 etot -8.6067E+01 mv 6 18 140 115 0 + 4 e 547 86 etot -8.0889E+01 mv 6 18 133 64 0 + -1 e 1 138 etot 1.3528E+20 mv 6 18 143 137 0 + 4 e 298 114 etot -8.1079E+01 mv 6 18 171 106 0 + 4 e 340 112 etot -8.2771E+01 mv 6 18 171 139 0 + 4 e 578 61 etot -8.1384E+01 mv 6 18 192 131 0 + 4 e 287 116 etot -8.3880E+01 mv 6 18 171 130 0 c 171 63.7 0.1 + -1 e 1 143 etot 1.3528E+20 mv 6 18 20 152 0 + 4 e 174 120 etot -8.0961E+01 mv 6 18 171 55 0 c 55 188.3 1.1 + 4 e 386 108 etot -7.8156E+01 mv 6 18 70 167 0 + 4 e 412 105 etot -8.5316E+01 mv 6 18 70 197 0 c 70 20.4 0.4 + 4 e 377 113 etot -7.7152E+01 mv 6 18 171 76 0 + 4 e 191 124 etot -8.6068E+01 mv 6 18 121 197 0 + 4 e 302 107 etot -7.4345E+01 mv 6 18 70 30 0 + -1 e 1 149 etot 1.3528E+20 mv 6 18 20 62 0 + 4 e 470 106 etot -7.0624E+01 mv 6 18 70 174 0 + -1 e 1 152 etot 1.3528E+20 mv 6 18 60 92 0 + 4 e 218 129 etot -8.2561E+01 mv 6 18 121 31 0 + 4 e 150 135 etot -8.2941E+01 mv 6 18 143 23 0 c 23 80.7 1.1 + 4 e 319 125 etot -7.6194E+01 mv 6 18 121 6 0 + 4 e 120 133 etot -8.3956E+01 mv 6 18 143 70 0 + 4 e 350 122 etot -8.3104E+01 mv 6 18 121 177 0 + 4 e 247 121 etot -7.8828E+01 mv 6 18 121 151 0 + 4 e 192 132 etot -8.8740E+01 mv 6 18 143 136 0 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196 etot -8.3794E+01 mv 6 18 3 58 0 c 58 81.2 0.7 + 4 e 234 198 etot -7.0306E+01 mv 6 18 3 64 0 + 4 e 181 205 etot -7.9823E+01 mv 2 18 161 -56 0 c 161 2.2 0.0 + 4 e 232 187 etot -7.9928E+01 mv 6 18 193 182 0 + 4 e 358 189 etot -7.7653E+01 mv 6 18 193 155 0 + 4 e 245 199 etot -8.5060E+01 mv 6 18 3 82 0 c 3 20.5 0.3 + -1 e 1 225 etot 1.3528E+20 mv 2 18 56 -100 0 + 4 e 405 188 etot -7.6299E+01 mv 6 18 193 1 0 + 4 e 338 175 etot -7.6426E+01 mv 6 18 135 146 0 + -1 e 1 227 etot 1.3528E+20 mv 2 18 41 -65 0 + -1 e 1 228 etot 1.3618E+20 mv 2 18 41 -56 0 + 4 e 173 211 etot -7.6617E+01 mv 2 18 17 -151 0 + 4 e 219 209 etot -7.5906E+01 mv 2 18 67 -68 0 + 4 e 515 159 etot -8.2058E+01 mv 6 18 60 86 0 + 4 e 340 186 etot -8.0599E+01 mv 6 18 193 102 0 f 148 362.2 2.1 + 4 e 177 219 etot -8.5150E+01 mv 2 18 175 -14 0 c 175 2.0 0.0 + 4 e 225 206 etot -8.6731E+01 mv 2 18 67 -118 0 c 67 1.3 0.0 + 4 e 598 157 etot -8.1874E+01 mv 6 18 60 117 0 + -1 e 1 237 etot 1.3528E+20 mv 2 18 194 -166 0 + 4 e 358 204 etot 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0 + 4 e 298 249 etot -8.4144E+01 mv 2 18 140 -82 0 + 4 e 360 233 etot -6.8734E+01 mv 2 18 192 -187 0 + 4 e 292 252 etot -6.8276E+01 mv 2 18 70 -110 0 + 4 e 380 230 etot -8.3697E+01 mv 2 18 41 -33 0 f 57 441.8 5.1 + 4 e 347 246 etot -7.3786E+01 mv 2 18 140 -32 0 + 4 e 317 255 etot -7.6723E+01 mv 2 18 70 -199 0 + 4 e 231 263 etot -6.9071E+01 mv 2 18 121 -138 0 + 4 e 268 260 etot -8.1078E+01 mv 2 18 171 -108 0 + 4 e 197 270 etot -7.3144E+01 mv 2 18 143 -46 0 + 4 e 230 268 etot -7.0297E+01 mv 2 18 143 -150 0 + 4 e 403 257 etot -7.7787E+01 mv 2 18 171 -42 0 + 4 e 176 269 etot -7.2355E+01 mv 2 18 143 -69 0 + 4 e 562 242 etot -8.3374E+01 mv 2 18 133 -137 0 + 4 e 396 259 etot -7.8078E+01 mv 2 18 171 -62 0 + 4 e 178 271 etot -8.3099E+01 mv 2 18 20 -129 0 + 4 e 188 281 etot -7.4549E+01 mv 2 18 69 -158 0 + 4 e 560 217 etot -7.8609E+01 mv 2 18 175 -45 0 + 4 e 139 280 etot -8.2735E+01 mv 2 18 60 -36 0 c 60 1.6 0.0 + 4 e 359 265 etot -7.7974E+01 mv 2 18 121 -185 0 + 4 e 229 278 etot -8.0534E+01 mv 2 18 60 -140 0 + 4 e 202 274 etot -8.3099E+01 mv 2 18 20 -99 0 + 4 e 428 262 etot -7.9799E+01 mv 2 18 121 -50 0 + 4 e 220 283 etot -6.3846E+01 mv 2 18 69 -101 0 + 4 e 534 253 etot -7.4777E+01 mv 2 18 70 -191 0 + 4 e 226 285 etot -8.2595E+01 mv 2 18 69 -161 0 + -1 e 1 303 etot 1.3528E+20 mv 1 18 161 -76 0 + 4 e 294 279 etot -8.1135E+01 mv 2 18 60 -32 0 + 4 e 502 236 etot -7.8988E+01 mv 2 18 194 -22 0 + 4 e 346 276 etot -8.2734E+01 mv 2 18 60 -95 0 + -1 e 1 307 etot 1.3528E+20 mv 1 18 67 -114 0 + 4 e 334 261 etot -8.3648E+01 mv 2 18 121 -92 0 + 4 e 350 264 etot -7.6321E+01 mv 2 18 121 -1 0 + 4 e 569 258 etot -7.7214E+01 mv 2 18 171 -29 0 + 4 e 299 273 etot -6.8423E+01 mv 2 18 20 -23 0 + 4 e 358 277 etot -7.3311E+01 mv 2 18 60 -31 0 + 4 e 285 286 etot -8.2167E+01 mv 2 18 135 -71 0 c 135 4.2 0.0 + -1 e 1 311 etot 1.3528E+20 mv 1 18 17 -198 0 + 4 e 122 300 etot -6.9687E+01 mv 2 18 3 -164 0 + 4 e 242 282 etot -7.6985E+01 mv 2 18 69 -197 0 + 4 e 284 289 etot -7.1852E+01 mv 2 18 135 -62 0 + 4 e 541 267 etot -7.8329E+01 mv 2 18 143 -74 0 + 4 e 364 284 etot -7.5820E+01 mv 2 18 69 -163 0 + 4 e 326 288 etot -7.6960E+01 mv 2 18 135 -72 0 + 4 e 237 294 etot -7.4353E+01 mv 2 18 193 -90 0 + 4 e 285 291 etot -7.5665E+01 mv 2 18 193 -160 0 + 4 e 397 266 etot -7.8155E+01 mv 2 18 143 -97 0 + 4 e 281 297 etot -7.3362E+01 mv 2 18 3 -63 0 + 4 e 232 293 etot -7.2701E+01 mv 2 18 193 -37 0 + 4 e 271 301 etot -7.9823E+01 mv 1 18 161 -191 0 + 4 e 451 287 etot -6.4925E+01 mv 2 18 135 -44 0 + 4 e 202 315 etot -8.7924E+01 mv 1 18 17 -85 0 + 4 e 308 302 etot -5.8373E+01 mv 1 18 161 -39 0 + 4 e 293 305 etot -7.9748E+01 mv 1 18 161 -80 0 + 4 e 376 298 etot -7.2070E+01 mv 2 18 3 -169 0 + 4 e 309 304 etot -7.9470E+01 mv 1 18 161 -43 0 + 4 e 233 314 etot -8.7924E+01 mv 1 18 17 -49 0 + 4 e 197 306 etot -8.6731E+01 mv 1 18 67 -36 0 + 4 e 272 295 etot -7.7427E+01 mv 2 18 193 -179 0 + 4 e 188 320 etot -8.5150E+01 mv 1 18 175 -126 0 + 4 e 482 272 etot -7.6261E+01 mv 2 18 20 -68 0 + 4 e 467 292 etot -7.6137E+01 mv 2 18 193 -118 0 + 4 e 229 318 etot -6.8469E+01 mv 1 18 175 -60 0 + 4 e 305 313 etot -8.7923E+01 mv 1 18 17 -68 0 + 8 e 77 333 etot -6.3999E+01 mv 1 18 192 -102 0 + 4 e 264 323 etot -7.8742E+01 mv 1 18 56 -28 0 + 4 e 287 322 etot -6.1304E+01 mv 1 18 56 -79 0 + -1 e 1 344 etot 1.3528E+20 mv 1 18 133 -60 0 + -1 e 1 345 etot 1.3528E+20 mv 1 18 133 -30 0 + 4 e 362 296 etot -8.3481E+01 mv 2 18 3 -81 0 + 4 e 410 290 etot -6.4150E+01 mv 2 18 135 -173 0 + 4 e 471 308 etot -8.5721E+01 mv 1 18 67 -100 0 + 4 e 199 332 etot -7.0275E+01 mv 1 18 192 -29 0 + 4 e 327 309 etot -8.1074E+01 mv 1 18 67 -61 0 + 4 e 192 334 etot -8.5227E+01 mv 1 18 192 -90 0 c 192 5.3 0.0 + 4 e 377 321 etot -7.8721E+01 mv 1 18 56 -164 0 + 4 e 156 341 etot -8.3537E+01 mv 1 18 133 -103 0 + 4 e 263 329 etot -8.1146E+01 mv 1 18 41 -17 0 f 128 369.9 2.5 + 4 e 339 325 etot -7.8720E+01 mv 1 18 56 -108 0 + 4 e 218 326 etot -6.9596E+01 mv 1 18 41 -122 0 + 4 e 117 346 etot -8.4145E+01 mv 1 18 140 -130 0 c 140 0.8 0.0 + -1 e 1 358 etot 1.3528E+20 mv 1 18 171 -145 0 + 4 e 202 340 etot -8.5479E+01 mv 1 18 194 -191 0 + 4 e 482 316 etot -7.6373E+01 mv 1 18 175 -35 0 + 4 e 252 337 etot -6.9117E+01 mv 1 18 194 -122 0 + 4 e 185 335 etot -8.5227E+01 mv 1 18 192 -132 0 c 192 1.6 0.0 + 8 e 46 355 etot -6.3985E+01 mv 1 18 70 -2 0 + 4 e 263 339 etot -7.1927E+01 mv 1 18 194 -115 0 + 4 e 344 331 etot -8.0867E+01 mv 1 18 192 -96 0 + 4 e 506 319 etot -7.8764E+01 mv 1 18 175 -183 0 + 4 e 516 299 etot -7.1500E+01 mv 2 18 3 -189 0 + 4 e 137 356 etot -8.3816E+01 mv 1 18 171 -94 0 + 4 e 428 312 etot -8.6964E+01 mv 1 18 17 -132 0 + 4 e 411 317 etot -8.5147E+01 mv 1 18 175 -90 0 + 4 e 260 336 etot -8.4072E+01 mv 1 18 194 -131 0 + 4 e 474 327 etot -7.6320E+01 mv 1 18 41 -50 0 + 4 e 218 350 etot -8.4144E+01 mv 1 18 140 -96 0 + 4 e 170 359 etot -8.3816E+01 mv 1 18 171 -92 0 + 4 e 450 330 etot -7.4952E+01 mv 1 18 41 -191 0 + 4 e 476 310 etot -7.5489E+01 mv 1 18 67 -148 0 + 4 e 186 361 etot -8.3649E+01 mv 1 18 121 -71 0 + 4 e 485 328 etot -7.5440E+01 mv 1 18 41 -138 0 + 4 e 193 360 etot -8.3816E+01 mv 1 18 171 -20 0 + 4 e 345 343 etot -8.5038E+01 mv 1 18 133 -116 0 + 4 e 244 354 etot -8.3955E+01 mv 1 18 70 -89 0 + -1 e 1 382 etot 1.3528E+20 mv 1 18 69 -45 0 + 4 e 417 324 etot -8.0775E+01 mv 1 18 56 -152 0 + 4 e 327 338 etot -7.2617E+01 mv 1 18 194 -38 0 + 4 e 179 366 etot -8.3527E+01 mv 1 18 143 -52 0 + 4 e 328 352 etot -8.3694E+01 mv 1 18 70 -71 0 + 4 e 207 357 etot -8.3816E+01 mv 1 18 171 -14 0 + 4 e 235 365 etot -8.3649E+01 mv 1 18 121 -170 0 + 4 e 356 353 etot -7.7738E+01 mv 1 18 70 -41 0 + 4 e 203 369 etot -7.5326E+01 mv 1 18 143 -4 0 + 4 e 510 342 etot -6.9384E+01 mv 1 18 133 -150 0 + 4 e 152 379 etot -6.9939E+01 mv 1 18 60 -186 0 + 4 e 315 347 etot -7.5801E+01 mv 1 18 140 -170 0 + 4 e 199 375 etot -8.3099E+01 mv 1 18 20 -118 0 + -1 e 1 395 etot 1.3528E+20 mv 1 18 193 -10 0 + 4 e 157 383 etot -6.2627E+01 mv 1 18 69 -1 0 + 4 e 193 376 etot -8.0454E+01 mv 1 18 60 -56 0 + 4 e 476 349 etot -8.0974E+01 mv 1 18 140 -186 0 + 4 e 409 364 etot -6.7331E+01 mv 1 18 121 -34 0 + 4 e 243 381 etot -8.2744E+01 mv 1 18 69 -146 0 + 4 e 225 371 etot -8.3099E+01 mv 1 18 20 -103 0 + 4 e 136 391 etot -8.2102E+01 mv 1 18 193 -29 0 + 4 e 204 386 etot -6.7499E+01 mv 1 18 135 -85 0 + 8 e 126 393 etot -6.3995E+01 mv 1 18 193 -110 0 + 4 e 159 385 etot -8.2596E+01 mv 1 18 69 -48 0 + 4 e 321 363 etot -8.3649E+01 mv 1 18 121 -43 0 + 4 e 407 348 etot -8.0613E+01 mv 1 18 140 -153 0 + 4 e 414 367 etot -7.4324E+01 mv 1 18 143 -68 0 + 4 e 274 368 etot -7.4149E+01 mv 1 18 143 -11 0 + 4 e 284 370 etot -8.3108E+01 mv 1 18 143 -111 0 + 4 e 362 380 etot -8.2734E+01 mv 1 18 60 -49 0 + 4 e 208 396 etot -7.7549E+01 mv 1 18 3 -188 0 + 4 e 554 362 etot -8.3455E+01 mv 1 18 121 -23 0 + 4 e 92 404 etot -8.5150E+01 mv 0 18 175 0 0 c 175 1.3 0.0 + 4 e 297 389 etot -8.0425E+01 mv 1 18 135 -36 0 + 4 e 202 398 etot -7.4341E+01 mv 1 18 3 -87 0 + 4 e 148 401 etot -7.9823E+01 mv 0 18 161 0 0 c 161 0.5 0.0 + 4 e 132 405 etot -8.4885E+01 mv 0 18 56 0 0 + 4 e 40 414 etot -8.3527E+01 mv 0 18 143 0 0 c 143 0.3 0.0 +## N0 total= 19 close= 9 far= 0 %acc 47.4 +## N1 total= 101 close= 3 far= 2 %acc 5.0 +## N2 total= 100 close= 8 far= 2 %acc 10.0 +## N3 total= 0 close= 0 far= 0 %acc 0.0 +## N4 total= 0 close= 0 far= 0 %acc 0.0 +## N5 total= 0 close= 0 far= 0 %acc 0.0 +## N6 total= 200 close= 36 far= 9 %acc 22.5 +## N7 total= 0 close= 0 far= 0 %acc 0.0 +## N8 total= 0 close= 0 far= 0 %acc 0.0 +## N9 total= 0 close= 0 far= 0 %acc 0.0 +##N10 total= 0 close= 0 far= 0 %acc 0.0 +##N11 total= 0 close= 0 far= 0 %acc 0.0 +##N12 total= 0 close= 0 far= 0 %acc 0.0 +##N13 total= 0 close= 0 far= 0 %acc 0.0 +##N14 total= 0 close= 0 far= 0 %acc 0.0 +##N15 total= 0 close= 0 far= 0 %acc 0.0 +##N16 total= 0 close= 0 far= 0 %acc 0.0 +##N17 total= 0 close= 0 far= 0 %acc 0.0 +##N18 total= 0 close= 0 far= 0 %acc 0.0 + Time for refresh 19 0.28 + make_var : nseed= 20 ntry= 420 + Time for make trial 20 0.10 +Nonsetup time 38.95 sec, Eval/s = 64110.67 +Time for iter 20 1.79 sec, Eval/s = 64808.89 + UPDATING 420 + 4 e 95 415 etot -8.3099E+01 mv 0 18 20 0 0 + 4 e 306 392 etot -8.2102E+01 mv 1 18 193 -56 0 + 4 e 402 397 etot -7.0827E+01 mv 1 18 3 -117 0 + 4 e 493 373 etot -6.6109E+01 mv 1 18 20 -156 0 + 4 e 116 413 etot -8.3649E+01 mv 0 18 121 0 0 + 4 e 271 400 etot -8.0996E+01 mv 1 18 3 -189 0 + 4 e 192 418 etot -8.2168E+01 mv 0 18 135 0 0 c 135 1.0 0.0 + 4 e 708 387 etot -7.8745E+01 mv 1 18 135 -153 0 + 4 e 289 399 etot -6.9235E+01 mv 1 18 3 -24 0 + 4 e 106 409 etot -8.5274E+01 mv 0 18 133 0 0 c 133 0.6 0.0 + 4 e 29 420 etot -8.4797E+01 mv 0 18 3 0 0 + 4 e 437 378 etot -8.3578E+01 mv 1 18 60 -174 0 f 130 332.5 4.9 + 4 e 104 417 etot -8.2596E+01 mv 0 18 69 0 0 + 4 e 579 390 etot -8.2165E+01 mv 1 18 135 -73 0 + 4 e 94 416 etot -8.2735E+01 mv 0 18 60 0 0 c 60 0.9 0.0 + 4 e 123 412 etot -8.3816E+01 mv 0 18 171 0 0 + 4 e 564 374 etot -8.4326E+01 mv 1 18 20 -198 0 c 129 184.9 2.0 + 4 e 209 403 etot -8.7924E+01 mv 0 18 17 0 0 + 4 e 71 419 etot -8.2102E+01 mv 0 18 193 0 0 + 4 e 176 406 etot -8.4541E+01 mv 0 18 41 0 0 + 4 e 104 402 etot -8.6731E+01 mv 0 18 67 0 0 c 67 1.1 0.0 + 4 e 420 372 etot -8.2748E+01 mv 1 18 20 -127 0 + 4 e 285 384 etot -5.9306E+01 mv 1 18 69 -188 0 + 4 e 678 351 etot -8.0087E+01 mv 1 18 70 -162 0 f 156 342.9 1.4 + 4 e 101 410 etot -8.4145E+01 mv 0 18 140 0 0 c 140 1.4 0.0 + 4 e 301 377 etot -8.2734E+01 mv 1 18 60 -145 0 + 4 e 150 408 etot -8.5479E+01 mv 0 18 194 0 0 c 194 0.7 0.0 + -1 e 1 20 etot 1.3528E+20 mv 6 19 70 13 0 + -1 e 1 21 etot 1.3528E+20 mv 6 19 56 183 0 + 4 e 138 407 etot -8.5227E+01 mv 0 18 192 0 0 c 192 1.1 0.0 + 4 e 120 411 etot -8.3956E+01 mv 0 18 70 0 0 + 4 e 375 388 etot -8.0392E+01 mv 1 18 135 -17 0 + 4 e 502 394 etot -8.1315E+01 mv 1 18 193 -149 0 c 148 177.3 0.7 + -1 e 1 31 etot 1.3528E+20 mv 6 19 160 7 0 + -1 e 1 10 etot 1.3528E+20 mv 6 19 26 93 0 + -1 e 1 35 etot 6.0561E+20 mv 6 19 160 88 0 + 4 e 16 34 etot -8.1616E+01 mv 6 19 160 83 0 c 83 0.0 0.0 + 4 e 131 3 etot -8.5210E+01 mv 6 19 26 146 0 c 26 7.0 0.0 + 4 e 170 4 etot -8.4270E+01 mv 6 19 26 155 0 + 4 e 185 22 etot -8.3800E+01 mv 6 19 56 84 0 + 4 e 192 5 etot -8.0342E+01 mv 6 19 26 186 0 c 186 1.8 0.0 + 4 e 195 36 etot -8.5214E+01 mv 6 19 160 167 0 c 160 2.9 0.0 + 4 e 212 26 etot -8.4352E+01 mv 6 19 56 190 0 c 190 8.5 0.0 + -1 e 1 43 etot 3.4342E+24 mv 6 19 108 33 0 + 4 e 222 2 etot -8.3809E+01 mv 6 19 26 57 0 c 57 89.7 0.1 + 4 e 227 28 etot -8.3653E+01 mv 6 19 56 138 0 + 4 e 223 7 etot -7.8384E+01 mv 6 19 26 66 0 + 4 e 241 32 etot -8.3909E+01 mv 6 19 160 117 0 + 4 e 246 1 etot -8.5209E+01 mv 6 19 26 128 0 + 4 e 233 18 etot -8.7814E+01 mv 6 19 70 91 0 + 4 e 264 29 etot -7.9688E+01 mv 6 19 56 61 0 + 4 e 267 30 etot -7.6962E+01 mv 6 19 56 34 0 + 4 e 287 25 etot -7.9389E+01 mv 6 19 56 42 0 + 4 e 310 9 etot -8.0229E+01 mv 6 19 26 113 0 + 4 e 288 16 etot -7.8664E+01 mv 6 19 70 90 0 + 4 e 294 27 etot -8.3321E+01 mv 6 19 56 24 0 + 4 e 306 33 etot -7.2176E+01 mv 6 19 160 174 0 + 4 e 285 6 etot -7.9473E+01 mv 6 19 26 128 0 + 4 e 300 14 etot -8.5942E+01 mv 6 19 70 185 0 + 4 e 200 38 etot -8.5214E+01 mv 6 19 160 146 0 c 160 1.2 0.0 + 4 e 372 15 etot -8.5309E+01 mv 6 19 70 126 0 + 4 e 386 37 etot -7.7878E+01 mv 6 19 160 11 0 + 4 e 216 41 etot -8.4485E+01 mv 6 19 108 154 0 c 108 1.6 0.0 + 4 e 421 13 etot -7.2571E+01 mv 6 19 70 86 0 + 4 e 239 40 etot -8.7285E+01 mv 6 19 160 6 0 c 198 95.5 1.7 + 4 e 228 42 etot -8.5136E+01 mv 6 19 108 46 0 c 81 3.3 0.0 + 4 e 307 49 etot -8.2955E+01 mv 6 19 108 86 0 c 196 17.8 0.6 + 4 e 187 54 etot -8.4277E+01 mv 6 19 190 174 0 + -1 e 1 68 etot 3.0427E+21 mv 6 19 121 177 0 + 4 e 306 39 etot -7.6999E+01 mv 6 19 160 8 0 + 4 e 489 8 etot -8.4830E+01 mv 6 19 26 189 0 + 4 e 276 44 etot -7.8805E+01 mv 6 19 108 76 0 f 120 351.6 0.1 + 4 e 249 47 etot -8.5135E+01 mv 6 19 108 53 0 + 4 e 516 11 etot -7.7463E+01 mv 6 19 70 180 0 + 4 e 446 45 etot -7.7882E+01 mv 6 19 108 158 0 + -1 e 1 75 etot 1.3528E+20 mv 6 19 171 115 0 + 4 e 520 19 etot -7.5874E+01 mv 6 19 70 75 0 + 4 e 281 59 etot -8.1581E+01 mv 6 19 190 131 0 + 4 e 278 52 etot -8.4925E+01 mv 6 19 190 113 0 c 190 87.9 0.6 + 4 e 622 12 etot -7.5255E+01 mv 6 19 70 180 0 + 4 e 268 53 etot -8.4353E+01 mv 6 19 190 77 0 + 4 e 356 60 etot -7.6481E+01 mv 6 19 190 19 0 + 4 e 567 17 etot -7.4664E+01 mv 6 19 70 126 0 + 4 e 302 50 etot -8.3287E+01 mv 6 19 108 92 0 f 139 343.7 4.6 + 4 e 539 23 etot -7.4648E+01 mv 6 19 56 165 0 + -1 e 1 85 etot 1.3528E+20 mv 6 19 104 153 0 + 4 e 159 71 etot -6.9937E+01 mv 6 19 171 185 0 + 4 e 316 57 etot -7.7337E+01 mv 6 19 190 118 0 + 4 e 268 64 etot -8.2396E+01 mv 6 19 121 58 0 + 4 e 615 24 etot -8.0405E+01 mv 6 19 56 95 0 + 4 e 195 69 etot -8.0818E+01 mv 6 19 121 58 0 + 4 e 156 80 etot -7.2775E+01 mv 6 19 171 194 0 + -1 e 1 92 etot 1.3528E+20 mv 6 19 193 192 0 + 4 e 371 55 etot -7.4683E+01 mv 6 19 190 146 0 + 4 e 130 77 etot -6.9444E+01 mv 6 19 171 116 0 + 4 e 419 48 etot -8.0676E+01 mv 6 19 108 38 0 + 4 e 333 67 etot -7.7879E+01 mv 6 19 121 114 0 + 4 e 225 78 etot -8.0021E+01 mv 6 19 171 66 0 + 4 e 455 61 etot -8.1979E+01 mv 6 19 121 120 0 + -1 e 1 99 etot 1.3528E+20 mv 6 19 193 137 0 + 4 e 211 73 etot -8.2391E+01 mv 6 19 171 16 0 + 4 e 239 76 etot -8.3881E+01 mv 6 19 171 143 0 c 171 1.1 0.0 + 4 e 76 93 etot -8.2220E+01 mv 6 19 193 138 0 c 138 0.3 0.0 + 4 e 427 58 etot -8.4712E+01 mv 6 19 190 68 0 + 4 e 260 72 etot -6.5469E+01 mv 6 19 171 10 0 + 4 e 279 82 etot -7.4464E+01 mv 6 19 104 174 0 + -1 e 1 105 etot 1.3528E+20 mv 6 19 69 183 0 + 4 e 208 83 etot -8.1788E+01 mv 6 19 104 163 0 f 179 351.2 3.0 + 4 e 482 46 etot -7.9921E+01 mv 6 19 108 199 0 f 120 412.5 1.1 + 4 e 453 56 etot -7.6754E+01 mv 6 19 190 60 0 + 4 e 146 90 etot -8.6544E+01 mv 6 19 104 192 0 + 4 e 297 65 etot -7.1711E+01 mv 6 19 121 126 0 + -1 e 1 112 etot 1.3528E+20 mv 6 19 141 91 0 + 4 e 159 95 etot -8.4701E+01 mv 6 19 193 189 0 c 193 27.7 0.9 + 4 e 148 101 etot -7.2252E+01 mv 6 19 69 133 0 + 4 e 283 89 etot -8.1011E+01 mv 6 19 104 26 0 + 4 e 382 62 etot -7.6637E+01 mv 6 19 121 109 0 + 4 e 251 81 etot -8.0954E+01 mv 6 19 104 39 0 + 4 e 270 79 etot -8.5442E+01 mv 6 19 171 109 0 c 28 173.0 2.1 + 4 e 195 102 etot -8.2595E+01 mv 6 19 69 183 0 + 4 e 496 63 etot -7.2498E+01 mv 6 19 121 10 0 + 4 e 348 87 etot -8.6054E+01 mv 6 19 104 7 0 + -1 e 1 122 etot 1.3528E+20 mv 6 19 57 152 0 + 4 e 359 91 etot -7.1922E+01 mv 6 19 193 42 0 + 4 e 518 74 etot -8.4544E+01 mv 6 19 171 92 0 c 107 254.4 1.6 + 4 e 184 104 etot -6.9977E+01 mv 6 19 69 105 0 + 4 e 361 84 etot -7.8087E+01 mv 6 19 104 7 0 + 4 e 564 51 etot -7.4359E+01 mv 6 19 190 144 0 + 4 e 240 103 etot -8.2837E+01 mv 6 19 69 46 0 c 69 14.8 0.1 + 4 e 590 66 etot -8.7577E+01 mv 6 19 121 25 0 + 4 e 191 106 etot -7.2577E+01 mv 6 19 69 183 0 + 4 e 278 100 etot -8.3869E+01 mv 6 19 193 24 0 c 24 128.3 2.1 + 8 e 101 118 etot -6.3988E+01 mv 6 19 141 21 0 + -1 e 1 133 etot 1.3528E+20 mv 6 19 89 34 0 + 4 e 595 70 etot -8.3996E+01 mv 6 19 121 89 0 c 121 177.6 0.1 + 4 e 373 88 etot -6.2567E+01 mv 6 19 104 21 0 + 4 e 410 98 etot 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391 121 etot -7.9536E+01 mv 6 19 57 12 0 + 4 e 208 137 etot -8.6863E+01 mv 6 19 89 20 0 c 89 2.2 0.0 + -1 e 1 158 etot 1.3528E+20 mv 6 19 20 28 0 + 4 e 191 144 etot -8.2213E+01 mv 6 19 105 111 0 c 105 1.8 0.0 + 4 e 387 129 etot -8.1992E+01 mv 6 19 57 177 0 + 4 e 330 113 etot -8.3567E+01 mv 6 19 141 161 0 c 141 118.8 0.2 + 4 e 129 154 etot -7.3652E+01 mv 6 19 20 158 0 + 4 e 323 135 etot -8.4038E+01 mv 6 19 89 107 0 + 4 e 277 140 etot -8.2366E+01 mv 6 19 89 65 0 + 4 e 434 130 etot -7.1285E+01 mv 6 19 57 104 0 + 4 e 252 146 etot -8.4212E+01 mv 6 19 105 64 0 c 105 150.4 2.0 + 4 e 492 96 etot -7.9731E+01 mv 6 19 193 46 0 f 15 382.2 0.8 + 4 e 239 148 etot -8.6055E+01 mv 6 19 105 172 0 c 105 206.3 1.8 + 4 e 497 131 etot -8.2259E+01 mv 6 19 89 140 0 + 4 e 219 153 etot -8.4852E+01 mv 6 19 20 186 0 c 20 1.9 0.0 + 4 e 355 141 etot -7.7840E+01 mv 6 19 105 20 0 + 4 e 505 132 etot -8.0840E+01 mv 6 19 89 150 0 + 4 e 244 142 etot -8.1194E+01 mv 6 19 105 86 0 + 4 e 406 117 etot -8.0373E+01 mv 6 19 141 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193 -122 0 + 4 e 293 290 etot -8.2337E+01 mv 2 19 3 -188 0 f 50 380.3 3.2 + 4 e 233 280 etot -8.3429E+01 mv 2 19 20 -84 0 + 4 e 532 259 etot -7.4209E+01 mv 2 19 141 -34 0 + 4 e 349 282 etot -8.0610E+01 mv 2 19 22 -183 0 f 114 496.7 1.5 + 4 e 211 297 etot -6.9933E+01 mv 2 19 101 -196 0 + 4 e 149 305 etot -8.5210E+01 mv 1 19 26 -42 0 + 4 e 162 306 etot -8.5316E+01 mv 1 19 70 -129 0 + 4 e 481 278 etot -7.4949E+01 mv 2 19 20 -25 0 + 4 e 251 298 etot -7.5783E+01 mv 2 19 101 -156 0 + 4 e 359 294 etot -7.5570E+01 mv 2 19 110 -80 0 + 4 e 146 316 etot -8.5214E+01 mv 1 19 160 -82 0 c 160 0.6 0.0 + 4 e 196 301 etot -8.1005E+01 mv 1 19 26 -124 0 + 4 e 196 304 etot -5.9356E+01 mv 1 19 26 -176 0 + 4 e 468 266 etot -8.5709E+01 mv 2 19 89 -161 0 + 4 e 273 307 etot -8.5357E+01 mv 1 19 70 -20 0 + 4 e 372 281 etot -7.9039E+01 mv 2 19 22 -39 0 + 4 e 330 303 etot -7.8546E+01 mv 1 19 26 -133 0 + 4 e 232 314 etot -8.5139E+01 mv 1 19 56 -58 0 + 4 e 270 310 etot -7.6940E+01 mv 1 19 70 -81 0 + 4 e 302 309 etot -6.6599E+01 mv 1 19 70 -108 0 + 4 e 242 317 etot -7.4634E+01 mv 1 19 160 -113 0 + 4 e 722 270 etot -8.1180E+01 mv 2 19 89 -81 0 + 4 e 299 313 etot -6.3475E+01 mv 1 19 56 -173 0 + 4 e 553 292 etot -7.3756E+01 mv 2 19 110 -100 0 + 4 e 333 311 etot -7.8694E+01 mv 1 19 56 -3 0 + 4 e 304 300 etot -7.5053E+01 mv 2 19 101 -100 0 + 4 e 361 312 etot -8.5442E+01 mv 1 19 56 -11 0 c 56 80.8 0.1 + 4 e 530 296 etot -7.9822E+01 mv 2 19 101 -75 0 + 4 e 294 319 etot -8.3591E+01 mv 1 19 160 -136 0 + 4 e 270 320 etot -8.5214E+01 mv 1 19 160 -190 0 + 4 e 158 328 etot -8.4353E+01 mv 1 19 190 -9 0 + 4 e 284 322 etot -7.8759E+01 mv 1 19 108 -153 0 + 4 e 540 272 etot -7.9642E+01 mv 2 19 105 -167 0 f 18 482.9 0.5 + 4 e 182 332 etot -6.4753E+01 mv 1 19 121 -103 0 + 4 e 197 330 etot -8.4353E+01 mv 1 19 190 -30 0 + 4 e 227 331 etot -7.3086E+01 mv 1 19 121 -165 0 + 4 e 454 318 etot -7.7913E+01 mv 1 19 160 -2 0 + 4 e 319 323 etot -7.6840E+01 mv 1 19 108 -186 0 + -1 e 1 351 etot 1.3528E+20 mv 1 19 69 -48 0 + 4 e 145 340 etot -8.3881E+01 mv 1 19 171 -54 0 c 171 1.4 0.0 + 4 e 334 315 etot -8.5324E+01 mv 1 19 56 -50 0 + 4 e 221 326 etot -8.4353E+01 mv 1 19 190 -167 0 + 4 e 545 288 etot -8.4063E+01 mv 2 19 3 -19 0 f 76 363.7 4.9 + 4 e 487 295 etot -8.2149E+01 mv 2 19 110 -159 0 + 4 e 183 342 etot -6.6726E+01 mv 1 19 104 -53 0 + -1 e 1 358 etot 1.3528E+20 mv 1 19 141 -167 0 + 4 e 378 324 etot -6.8908E+01 mv 1 19 108 -178 0 + 4 e 542 293 etot -8.2232E+01 mv 2 19 110 -44 0 + 4 e 229 337 etot -8.0218E+01 mv 1 19 171 -86 0 f 112 398.2 1.0 + 4 e 445 321 etot -8.4145E+01 mv 1 19 108 -189 0 + 4 e 185 345 etot -8.4231E+01 mv 1 19 104 -196 0 c 104 14.9 0.4 + 4 e 474 302 etot -8.4663E+01 mv 1 19 26 -91 0 + -1 e 1 365 etot 1.3528E+20 mv 1 19 57 -27 0 + 4 e 320 335 etot -7.9564E+01 mv 1 19 121 -112 0 + 4 e 148 349 etot -8.3821E+01 mv 1 19 193 -4 0 + 4 e 357 334 etot -8.2735E+01 mv 1 19 121 -24 0 + 4 e 278 341 etot -8.3862E+01 mv 1 19 104 -129 0 + 4 e 209 348 etot -7.8118E+01 mv 1 19 193 -41 0 + 4 e 286 343 etot -7.1502E+01 mv 1 19 104 -120 0 + 4 e 186 353 etot -8.2331E+01 mv 1 19 69 -47 0 + 4 e 318 329 etot -8.0634E+01 mv 1 19 190 -55 0 + 4 e 228 350 etot -7.6423E+01 mv 1 19 193 -70 0 + 4 e 283 339 etot -8.3880E+01 mv 1 19 171 -127 0 + 4 e 511 333 etot -7.4086E+01 mv 1 19 121 -150 0 + 4 e 495 336 etot -7.9877E+01 mv 1 19 171 -130 0 + -1 e 1 378 etot 1.3528E+20 mv 1 19 20 -91 0 + 4 e 575 308 etot -7.7734E+01 mv 1 19 70 -98 0 + -1 e 1 380 etot 1.3528E+20 mv 1 19 20 -74 0 + 4 e 247 360 etot -8.2177E+01 mv 1 19 141 -170 0 + 4 e 221 364 etot -8.3698E+01 mv 1 19 57 -33 0 + 4 e 282 359 etot -7.3842E+01 mv 1 19 141 -57 0 + 4 e 407 347 etot -7.2819E+01 mv 1 19 193 -177 0 + -1 e 1 385 etot 1.3528E+20 mv 1 19 22 -143 0 + 4 e 229 354 etot -8.1446E+01 mv 1 19 69 -200 0 c 42 323.7 0.8 + 4 e 201 361 etot -8.3698E+01 mv 1 19 57 -169 0 + 4 e 429 327 etot -7.6748E+01 mv 1 19 190 -101 0 + 4 e 233 355 etot -8.2744E+01 mv 1 19 69 -117 0 + 4 e 148 375 etot -8.2213E+01 mv 1 19 105 -133 0 + 4 e 565 338 etot -8.1328E+01 mv 1 19 171 -74 0 + 4 e 286 356 etot -7.0442E+01 mv 1 19 141 -38 0 + 4 e 263 372 etot -7.2867E+01 mv 1 19 105 -175 0 + 4 e 366 346 etot -8.4509E+01 mv 1 19 193 -23 0 + 4 e 387 363 etot -7.1525E+01 mv 1 19 57 -147 0 + 4 e 448 352 etot -6.5910E+01 mv 1 19 69 -173 0 + 4 e 327 370 etot -8.4441E+01 mv 1 19 89 -137 0 + -1 e 1 398 etot 1.3528E+20 mv 1 19 101 -127 0 + 4 e 400 367 etot -8.3754E+01 mv 1 19 89 -7 0 + 4 e 598 344 etot -8.2728E+01 mv 1 19 104 -52 0 + 4 e 575 325 etot -7.5250E+01 mv 1 19 108 -103 0 + 4 e 332 373 etot -8.0284E+01 mv 1 19 105 -30 0 f 27 379.1 1.0 + 4 e 205 384 etot -8.2907E+01 mv 1 19 22 -121 0 + 4 e 157 391 etot -8.2302E+01 mv 1 19 110 -65 0 c 110 4.0 0.2 + 4 e 380 357 etot -7.5804E+01 mv 1 19 141 -17 0 + 4 e 301 379 etot -8.1287E+01 mv 1 19 20 -84 0 + 4 e 170 388 etot -7.6418E+01 mv 1 19 3 -149 0 + 4 e 347 366 etot -8.6379E+01 mv 1 19 89 -163 0 + 4 e 446 371 etot -8.2212E+01 mv 1 19 105 -158 0 c 27 204.2 1.9 + 4 e 169 396 etot -8.2832E+01 mv 1 19 101 -124 0 c 101 2.4 0.0 + 4 e 483 369 etot -8.4098E+01 mv 1 19 89 -40 0 + 4 e 287 386 etot -8.5060E+01 mv 1 19 3 -152 0 + 4 e 168 390 etot -8.5060E+01 mv 1 19 3 -104 0 + 4 e 154 401 etot -8.5210E+01 mv 0 19 26 0 0 c 26 1.1 0.0 + 4 e 110 404 etot -8.5214E+01 mv 0 19 160 0 0 + 4 e 87 402 etot -8.5316E+01 mv 0 19 70 0 0 c 70 1.0 0.0 + 4 e 216 387 etot -7.9545E+01 mv 1 19 3 -116 0 + 4 e 136 403 etot -8.5324E+01 mv 0 19 56 0 0 + 4 e 125 405 etot -8.4485E+01 mv 0 19 108 0 0 c 108 0.8 0.0 +## N0 total= 21 close= 10 far= 0 %acc 47.6 +## N1 total= 99 close= 10 far= 4 %acc 14.1 +## N2 total= 100 close= 8 far= 5 %acc 13.0 +## N3 total= 0 close= 0 far= 0 %acc 0.0 +## N4 total= 0 close= 0 far= 0 %acc 0.0 +## N5 total= 0 close= 0 far= 0 %acc 0.0 +## N6 total= 200 close= 42 far= 8 %acc 25.0 +## N7 total= 0 close= 0 far= 0 %acc 0.0 +## N8 total= 0 close= 0 far= 0 %acc 0.0 +## N9 total= 0 close= 0 far= 0 %acc 0.0 +##N10 total= 0 close= 0 far= 0 %acc 0.0 +##N11 total= 0 close= 0 far= 0 %acc 0.0 +##N12 total= 0 close= 0 far= 0 %acc 0.0 +##N13 total= 0 close= 0 far= 0 %acc 0.0 +##N14 total= 0 close= 0 far= 0 %acc 0.0 +##N15 total= 0 close= 0 far= 0 %acc 0.0 +##N16 total= 0 close= 0 far= 0 %acc 0.0 +##N17 total= 0 close= 0 far= 0 %acc 0.0 +##N18 total= 0 close= 0 far= 0 %acc 0.0 + Time for refresh 20 0.42 + make_var : nseed= 20 ntry= 420 + Time for make trial 21 0.05 +Nonsetup time 40.96 sec, Eval/s = 64000.54 +Time for iter 21 2.01 sec, Eval/s = 61868.49 + UPDATING 420 + 4 e 304 400 etot -7.1400E+01 mv 1 19 101 -57 0 + 4 e 416 377 etot -8.3754E+01 mv 1 19 20 -23 0 + 4 e 122 413 etot -8.3699E+01 mv 0 19 57 0 0 + 4 e 137 412 etot -8.2178E+01 mv 0 19 141 0 0 + 4 e 540 368 etot -8.4269E+01 mv 1 19 89 -19 0 + 4 e 86 411 etot -8.2744E+01 mv 0 19 69 0 0 + 4 e 315 392 etot -7.6582E+01 mv 1 19 110 -58 0 + 4 e 84 415 etot -8.2213E+01 mv 0 19 105 0 0 c 27 2.0 0.0 + 4 e 468 399 etot -7.9402E+01 mv 1 19 101 -167 0 f 63 331.8 0.1 + 4 e 635 362 etot -8.5534E+01 mv 1 19 57 -68 0 + 4 e 107 420 etot -8.2832E+01 mv 0 19 101 0 0 c 101 0.5 0.0 + 4 e 494 382 etot -7.7624E+01 mv 1 19 22 -45 0 + 4 e 370 397 etot -8.2677E+01 mv 1 19 101 -119 0 + 4 e 148 419 etot -8.2109E+01 mv 0 19 110 0 0 + 4 e 105 407 etot -8.3918E+01 mv 0 19 121 0 0 + 4 e 92 416 etot -8.4852E+01 mv 0 19 20 0 0 c 20 0.9 0.0 + 4 e 135 410 etot -8.3821E+01 mv 0 19 193 0 0 + 4 e 416 383 etot -8.2906E+01 mv 1 19 22 -65 0 + 4 e 372 394 etot -8.2107E+01 mv 1 19 110 -200 0 + 4 e 565 376 etot -8.1988E+01 mv 1 19 20 -148 0 f 25 391.4 2.7 + 4 e 248 395 etot -8.1311E+01 mv 1 19 110 -60 0 + 4 e 91 418 etot -8.5060E+01 mv 0 19 3 0 0 + 4 e 182 414 etot -8.6863E+01 mv 0 19 89 0 0 c 89 1.2 0.0 + 4 e 106 408 etot -8.3881E+01 mv 0 19 171 0 0 c 171 0.4 0.0 + 4 e 381 393 etot -8.1239E+01 mv 1 19 110 -41 0 + 4 e 152 406 etot -8.4353E+01 mv 0 19 190 0 0 + 4 e 88 409 etot -8.3863E+01 mv 0 19 104 0 0 + 4 e 317 381 etot -8.3853E+01 mv 1 19 22 -28 0 + 4 e 67 417 etot -8.2907E+01 mv 0 19 22 0 0 + -1 e 1 23 etot 1.3528E+20 mv 6 20 172 58 0 + 4 e 282 389 etot -8.1430E+01 mv 1 19 3 -108 0 + 4 e 546 374 etot -8.2440E+01 mv 1 19 105 -189 0 c 27 251.9 0.2 + 4 e 55 5 etot -8.0611E+01 mv 6 20 11 114 0 c 114 1.0 0.0 + 4 e 219 1 etot -8.3858E+01 mv 6 20 11 17 0 + 4 e 244 2 etot -7.9941E+01 mv 6 20 11 153 0 + 4 e 213 25 etot -7.9502E+01 mv 6 20 172 103 0 f 174 335.0 0.1 + 4 e 225 14 etot -8.5376E+01 mv 6 20 94 152 0 + 4 e 220 7 etot -8.4336E+01 mv 6 20 11 22 0 c 11 91.3 0.5 + 4 e 238 26 etot -8.5816E+01 mv 6 20 172 30 0 c 172 6.7 0.0 + 4 e 250 24 etot -8.6863E+01 mv 6 20 172 89 0 + 4 e 255 9 etot -8.2357E+01 mv 6 20 11 144 0 c 144 108.8 1.2 + 4 e 17 39 etot -8.5210E+01 mv 6 20 57 26 0 c 26 0.0 0.0 + 4 e 210 31 etot -8.5545E+01 mv 6 20 57 128 0 c 57 2.4 0.0 + 4 e 255 10 etot -8.4430E+01 mv 6 20 11 139 0 c 139 224.9 1.1 + 4 e 320 3 etot -8.2844E+01 mv 6 20 11 165 0 + -1 e 1 45 etot 1.3528E+20 mv 6 20 28 74 0 + 4 e 264 28 etot -8.3921E+01 mv 6 20 172 117 0 + 4 e 279 13 etot -8.5081E+01 mv 6 20 94 177 0 + 4 e 241 29 etot -7.5320E+01 mv 6 20 172 99 0 + -1 e 1 49 etot 1.3528E+20 mv 6 20 28 147 0 + 4 e 260 33 etot -8.4784E+01 mv 6 20 57 102 0 + 4 e 317 6 etot -8.0188E+01 mv 6 20 11 33 0 + 4 e 374 32 etot -8.5535E+01 mv 6 20 57 62 0 + 4 e 233 34 etot -8.5544E+01 mv 6 20 57 182 0 + 4 e 375 27 etot -8.5083E+01 mv 6 20 172 124 0 + -1 e 1 55 etot 1.3528E+20 mv 6 20 190 22 0 + 4 e 390 15 etot -6.9782E+01 mv 6 20 94 167 0 + 4 e 187 46 etot -8.3963E+01 mv 6 20 28 22 0 c 22 1.8 0.0 + 4 e 392 19 etot -8.4808E+01 mv 6 20 94 46 0 + -1 e 1 59 etot 1.3528E+20 mv 6 20 190 161 0 + 4 e 405 18 etot -7.3747E+01 mv 6 20 94 139 0 + -1 e 1 61 etot 1.3528E+20 mv 6 20 188 140 0 + 4 e 301 35 etot -6.8207E+01 mv 6 20 57 161 0 + 4 e 126 52 etot -6.4941E+01 mv 6 20 190 30 0 + 4 e 230 21 etot -8.4472E+01 mv 6 20 172 189 0 + 4 e 468 11 etot -7.7462E+01 mv 6 20 94 85 0 + -1 e 1 65 etot 1.3528E+20 mv 6 20 188 136 0 + 4 e 469 8 etot -7.8505E+01 mv 6 20 11 143 0 + 4 e 491 16 etot -8.5232E+01 mv 6 20 94 76 0 f 63 341.7 5.8 + 4 e 498 4 etot -7.1661E+01 mv 6 20 11 141 0 + 4 e 215 51 etot -7.2218E+01 mv 6 20 190 119 0 + 4 e 260 41 etot -8.2610E+01 mv 6 20 28 12 0 + 4 e 270 42 etot -7.3796E+01 mv 6 20 28 174 0 + 4 e 225 54 etot -8.5444E+01 mv 6 20 190 56 0 c 56 3.1 0.0 + 4 e 324 36 etot -8.1937E+01 mv 6 20 57 35 0 + 4 e 310 40 etot -7.2177E+01 mv 6 20 57 142 0 + 4 e 243 58 etot -8.4007E+01 mv 6 20 190 157 0 + 4 e 522 20 etot -7.4572E+01 mv 6 20 94 186 0 + -1 e 1 78 etot 1.3528E+20 mv 6 20 61 164 0 + 4 e 353 37 etot -7.4172E+01 mv 6 20 57 138 0 + 4 e 585 12 etot -8.5674E+01 mv 6 20 94 103 0 c 94 3.3 0.0 + 4 e 247 62 etot -7.7195E+01 mv 6 20 188 63 0 + 4 e 294 63 etot -8.4284E+01 mv 6 20 188 26 0 c 188 3.6 0.0 + -1 e 1 83 etot 1.3528E+20 mv 6 20 107 66 0 + 4 e 244 53 etot -9.0745E+01 mv 6 20 190 94 0 c 35 158.4 0.1 + 4 e 214 71 etot -8.4975E+01 mv 6 20 61 145 0 + 4 e 297 64 etot -7.9862E+01 mv 6 20 188 196 0 + 4 e 699 17 etot -8.3968E+01 mv 6 20 94 48 0 + 4 e 554 30 etot -7.9771E+01 mv 6 20 172 88 0 + 4 e 307 56 etot -7.6515E+01 mv 6 20 190 18 0 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1.3528E+20 mv 6 20 14 177 0 + 4 e 189 97 etot -8.4561E+01 mv 6 20 181 52 0 + 4 e 420 81 etot -8.2134E+01 mv 6 20 107 75 0 + 4 e 244 94 etot -8.4929E+01 mv 6 20 181 52 0 c 181 108.0 0.1 + 4 e 272 92 etot -8.0692E+01 mv 6 20 181 129 0 f 40 320.3 1.2 + 4 e 228 99 etot -7.8150E+01 mv 6 20 181 125 0 + -1 e 1 116 etot 1.3528E+20 mv 6 20 3 41 0 + 4 e 328 79 etot -8.1492E+01 mv 6 20 61 62 0 + 4 e 578 66 etot -8.1520E+01 mv 6 20 188 99 0 c 42 164.8 0.1 + 4 e 665 70 etot -7.5233E+01 mv 6 20 188 69 0 + 4 e 257 101 etot -8.3532E+01 mv 6 20 14 188 0 + 4 e 398 86 etot -8.0774E+01 mv 6 20 107 180 0 c 79 191.8 0.3 + 4 e 231 106 etot -7.6579E+01 mv 6 20 14 168 0 + 4 e 653 68 etot -8.1450E+01 mv 6 20 188 194 0 c 48 248.2 0.0 + 4 e 254 89 etot -7.7925E+01 mv 6 20 107 9 0 + 4 e 311 103 etot -8.0293E+01 mv 6 20 14 149 0 + 4 e 390 93 etot -8.2744E+01 mv 6 20 181 117 0 + 4 e 116 120 etot -7.9333E+01 mv 6 20 3 25 0 + 4 e 274 109 etot -7.9581E+01 mv 6 20 14 155 0 + 4 e 403 85 etot -8.2737E+01 mv 6 20 107 87 0 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20 104 152 0 + 4 e 480 43 etot -7.5868E+01 mv 6 20 28 92 0 + 4 e 412 114 etot -7.8934E+01 mv 6 20 3 69 0 + 4 e 160 142 etot -6.8618E+01 mv 6 20 58 148 0 + 4 e 452 115 etot -8.0414E+01 mv 6 20 3 183 0 f 174 355.7 0.9 + 4 e 349 107 etot -8.4525E+01 mv 6 20 14 77 0 + 4 e 351 124 etot -8.4326E+01 mv 6 20 129 13 0 c 129 2.9 0.0 + 4 e 536 90 etot -8.4121E+01 mv 6 20 107 3 0 + 4 e 539 113 etot -8.8939E+01 mv 6 20 3 130 0 c 42 227.4 7.4 + 4 e 229 138 etot -8.5479E+01 mv 6 20 104 33 0 c 104 91.2 1.2 + 4 e 171 144 etot -8.1004E+01 mv 6 20 58 166 0 + 4 e 248 140 etot -8.6268E+01 mv 6 20 104 8 0 c 104 105.1 0.8 + 4 e 386 128 etot -7.8118E+01 mv 6 20 129 87 0 + 4 e 236 132 etot -8.6389E+01 mv 6 20 104 82 0 + 4 e 534 67 etot -8.4057E+01 mv 6 20 188 15 0 + -1 e 1 164 etot 1.3528E+20 mv 6 20 24 14 0 + 4 e 234 130 etot -8.5227E+01 mv 6 20 129 92 0 + 4 e 439 127 etot -7.9571E+01 mv 6 20 129 185 0 + 4 e 166 148 etot -8.3139E+01 mv 6 20 58 148 0 + 4 e 233 137 etot -8.4867E+01 mv 6 20 104 145 0 + 4 e 184 149 etot -8.2774E+01 mv 6 20 58 177 0 + 4 e 255 145 etot -8.1911E+01 mv 6 20 58 45 0 + 4 e 61 165 etot -8.4512E+01 mv 6 20 24 7 0 c 7 0.4 0.0 + -1 e 1 172 etot 1.3528E+20 mv 6 20 27 186 0 + 4 e 355 143 etot -8.3793E+01 mv 6 20 58 45 0 + 4 e 295 136 etot -8.3564E+01 mv 6 20 104 70 0 + 4 e 236 156 etot -7.8774E+01 mv 6 20 130 6 0 + 4 e 448 135 etot -7.8440E+01 mv 6 20 104 16 0 + -1 e 1 177 etot 3.3331E+21 mv 6 20 27 130 0 + 4 e 530 134 etot -8.2033E+01 mv 6 20 104 182 0 f 182 357.8 2.5 + 4 e 62 176 etot -8.5150E+01 mv 6 20 27 175 0 c 175 0.2 0.0 + 4 e 312 153 etot -7.7048E+01 mv 6 20 130 50 0 + 4 e 357 152 etot -8.8514E+01 mv 6 20 130 191 0 + 4 e 289 159 etot -8.0884E+01 mv 6 20 130 184 0 + 4 e 659 50 etot -8.2516E+01 mv 6 20 28 51 0 + 4 e 246 157 etot -8.8515E+01 mv 6 20 130 136 0 + 4 e 484 125 etot -7.3096E+01 mv 6 20 129 88 0 + 4 e 334 158 etot -8.1195E+01 mv 6 20 130 109 0 + 4 e 412 154 etot -8.3578E+01 mv 6 20 130 107 0 c 130 3.4 0.0 + 4 e 318 147 etot -8.3213E+01 mv 6 20 58 62 0 c 196 206.6 0.3 + 4 e 279 168 etot -7.6941E+01 mv 6 20 24 110 0 + 4 e 202 169 etot -7.5490E+01 mv 6 20 24 161 0 + 4 e 383 161 etot -7.6626E+01 mv 6 20 24 107 0 + 4 e 277 174 etot -8.0267E+01 mv 6 20 27 120 0 f 155 479.2 0.7 + 4 e 263 163 etot -7.1826E+01 mv 6 20 24 100 0 + 4 e 671 139 etot -7.9491E+01 mv 6 20 104 12 0 + 4 e 363 167 etot -7.9141E+01 mv 6 20 24 50 0 + 4 e 687 141 etot -8.0683E+01 mv 6 20 58 150 0 + 4 e 338 171 etot -7.8421E+01 mv 6 20 27 147 0 + 4 e 369 170 etot -8.2737E+01 mv 6 20 24 138 0 + 4 e 514 160 etot -8.2911E+01 mv 6 20 130 32 0 + -1 e 1 200 etot 1.2609E+22 mv 6 20 8 140 0 + 4 e 629 150 etot -7.6629E+01 mv 6 20 58 176 0 + 4 e 523 162 etot -8.1383E+01 mv 6 20 24 91 0 f 45 335.5 1.8 + 4 e 147 192 etot -8.1842E+01 mv 6 20 8 145 0 c 8 1.6 0.0 + 4 e 273 182 etot -8.0346E+01 mv 6 20 141 134 0 + 4 e 175 185 etot -6.9387E+01 mv 6 20 141 100 0 + 4 e 316 166 etot -8.1518E+01 mv 6 20 24 23 0 + 4 e 380 151 etot -6.7328E+01 mv 6 20 130 30 0 + 4 e 461 146 etot -8.3762E+01 mv 6 20 58 145 0 + -1 e 1 209 etot 1.3528E+20 mv 2 20 94 -124 0 + 4 e 370 179 etot -7.5237E+01 mv 6 20 27 114 0 + 4 e 240 188 etot -8.6068E+01 mv 6 20 141 197 0 + 4 e 392 178 etot -8.0404E+01 mv 6 20 27 8 0 f 36 399.6 0.8 + 4 e 167 193 etot -8.1842E+01 mv 6 20 8 129 0 + -1 e 1 214 etot 1.3528E+20 mv 2 20 172 -27 0 + 4 e 309 175 etot -8.1193E+01 mv 6 20 27 196 0 c 155 257.1 0.9 + 4 e 365 183 etot -8.3566E+01 mv 6 20 141 13 0 + 4 e 401 181 etot -8.3891E+01 mv 6 20 141 7 0 + 4 e 157 201 etot -8.3859E+01 mv 2 20 11 -23 0 + 4 e 222 198 etot -7.4757E+01 mv 6 20 8 119 0 + 4 e 463 155 etot -8.2847E+01 mv 6 20 130 156 0 f 18 373.7 3.2 + 4 e 231 189 etot -8.3567E+01 mv 6 20 141 80 0 c 141 2.3 0.0 + 4 e 275 197 etot -7.5130E+01 mv 6 20 8 131 0 + 4 e 476 180 etot -7.7332E+01 mv 6 20 27 195 0 + 4 e 188 205 etot -8.2386E+01 mv 2 20 11 -161 0 + 4 e 456 187 etot -7.4465E+01 mv 6 20 141 166 0 + 4 e 214 204 etot -8.4108E+01 mv 2 20 11 -121 0 + -1 e 1 227 etot 1.3528E+20 mv 2 20 190 -144 0 + 4 e 322 184 etot -7.3006E+01 mv 6 20 141 5 0 + 4 e 411 190 etot -7.8022E+01 mv 6 20 141 90 0 + 4 e 297 199 etot -8.5135E+01 mv 6 20 8 81 0 + 4 e 238 202 etot -7.3056E+01 mv 2 20 11 -29 0 + 4 e 223 211 etot -8.3207E+01 mv 2 20 172 -89 0 + 4 e 156 216 etot -8.5545E+01 mv 2 20 57 -129 0 c 57 1.3 0.0 + -1 e 1 234 etot 3.7879E+34 mv 2 20 188 -60 0 + 4 e 491 173 etot -7.5848E+01 mv 6 20 27 64 0 + 4 e 420 196 etot -7.7781E+01 mv 6 20 8 81 0 + 4 e 400 186 etot -8.0514E+01 mv 6 20 141 167 0 + 4 e 369 203 etot -6.3024E+01 mv 2 20 11 -113 0 + 4 e 149 226 etot -8.4926E+01 mv 2 20 190 -110 0 c 190 2.2 0.0 + 4 e 335 213 etot -7.9134E+01 mv 2 20 172 -132 0 + 4 e 154 231 etot -8.4285E+01 mv 2 20 188 -14 0 c 188 1.5 0.0 + 4 e 261 225 etot -8.5442E+01 mv 2 20 28 -118 0 + 4 e 416 215 etot -8.1032E+01 mv 2 20 172 -179 0 + 4 e 343 218 etot -7.6938E+01 mv 2 20 57 -55 0 + -1 e 1 244 etot 1.3528E+20 mv 2 20 107 -129 0 + 4 e 337 220 etot -8.2656E+01 mv 2 20 57 -170 0 + 4 e 346 219 etot -7.8735E+01 mv 2 20 57 -49 0 + 4 e 447 212 etot -8.0578E+01 mv 2 20 172 -170 0 + 4 e 405 194 etot -7.9944E+01 mv 6 20 8 184 0 + 4 e 225 233 etot -7.0160E+01 mv 2 20 188 -106 0 + 4 e 174 229 etot -7.4952E+01 mv 2 20 190 -110 0 + 4 e 617 195 etot -7.9676E+01 mv 6 20 8 46 0 + 4 e 323 210 etot -8.1381E+01 mv 2 20 94 -164 0 + 4 e 408 217 etot -6.7094E+01 mv 2 20 57 -61 0 + 4 e 354 224 etot -7.1483E+01 mv 2 20 28 -2 0 + 4 e 476 191 etot -8.1412E+01 mv 6 20 8 147 0 + -1 e 1 257 etot 1.3528E+20 mv 2 20 3 -24 0 + -1 e 1 258 etot 1.3528E+20 mv 2 20 3 -51 0 + 4 e 338 228 etot -6.7033E+01 mv 2 20 190 -29 0 + -1 e 1 260 etot 1.3528E+20 mv 2 20 3 -148 0 + 4 e 188 242 etot -6.5461E+01 mv 2 20 107 -44 0 + 4 e 223 239 etot -6.5236E+01 mv 2 20 61 -28 0 + 4 e 269 241 etot -8.4546E+01 mv 2 20 107 -26 0 c 107 3.1 0.0 + 4 e 227 236 etot -8.3488E+01 mv 2 20 61 -132 0 + 4 e 501 223 etot -7.6363E+01 mv 2 20 28 -186 0 + 4 e 225 243 etot -6.3034E+01 mv 2 20 107 -24 0 + 4 e 449 206 etot -7.0735E+01 mv 2 20 94 -27 0 + 4 e 191 251 etot -8.1413E+01 mv 2 20 14 -183 0 + 4 e 459 232 etot -7.1574E+01 mv 2 20 188 -85 0 + 4 e 250 238 etot -7.0919E+01 mv 2 20 61 -180 0 + 4 e 162 261 etot -8.4084E+01 mv 2 20 129 -84 0 + 4 e 255 248 etot -6.9662E+01 mv 2 20 181 -85 0 + 4 e 275 245 etot -8.4546E+01 mv 2 20 107 -172 0 + 4 e 415 222 etot -7.4458E+01 mv 2 20 28 -157 0 + 4 e 185 250 etot -6.9583E+01 mv 2 20 181 -49 0 + 4 e 416 237 etot -8.4033E+01 mv 2 20 61 -23 0 + 4 e 234 255 etot -8.4488E+01 mv 2 20 14 -12 0 + 4 e 418 240 etot -8.6492E+01 mv 2 20 61 -116 0 + 4 e 219 252 etot -7.6599E+01 mv 2 20 14 -174 0 + 4 e 359 235 etot -8.0327E+01 mv 2 20 188 -40 0 + 4 e 390 246 etot -8.2119E+01 mv 2 20 181 -148 0 + 4 e 687 230 etot -7.5619E+01 mv 2 20 190 -169 0 + 4 e 401 253 etot -7.2399E+01 mv 2 20 14 -63 0 + 4 e 598 207 etot -8.4999E+01 mv 2 20 94 -51 0 + 4 e 329 263 etot -8.4937E+01 mv 2 20 129 -125 0 + -1 e 1 286 etot 1.3528E+20 mv 2 20 27 -106 0 + -1 e 1 287 etot 1.3528E+20 mv 2 20 27 -194 0 + 4 e 463 247 etot -7.1978E+01 mv 2 20 181 -54 0 + 4 e 338 262 etot -6.9281E+01 mv 2 20 129 -42 0 + 4 e 284 254 etot -8.2914E+01 mv 2 20 14 -165 0 + 4 e 185 277 etot -6.2409E+01 mv 2 20 130 -133 0 + 4 e 546 221 etot -8.3624E+01 mv 2 20 28 -136 0 + 4 e 302 267 etot -5.6071E+01 mv 2 20 104 -117 0 + 4 e 210 265 etot -7.5271E+01 mv 2 20 129 -35 0 + 4 e 667 208 etot -8.5673E+01 mv 2 20 94 -195 0 + 4 e 247 273 etot -8.1201E+01 mv 2 20 58 -66 0 + 4 e 342 264 etot -7.5146E+01 mv 2 20 129 -153 0 + 4 e 171 275 etot -8.3794E+01 mv 2 20 58 -75 0 c 58 1.5 0.0 + 4 e 303 272 etot -8.4033E+01 mv 2 20 58 -162 0 + 8 e 44 293 etot -6.3997E+01 mv 2 20 141 -16 0 + 4 e 282 278 etot -7.2961E+01 mv 2 20 130 -62 0 + 4 e 306 274 etot -7.0927E+01 mv 2 20 58 -5 0 + 4 e 374 266 etot -7.5558E+01 mv 2 20 104 -28 0 + 4 e 143 289 etot -8.2213E+01 mv 2 20 27 -150 0 c 155 68.9 1.0 + 4 e 376 270 etot -8.0088E+01 mv 2 20 104 -137 0 + 4 e 164 290 etot -6.9058E+01 mv 2 20 27 -82 0 + 4 e 197 280 etot -8.3579E+01 mv 2 20 130 -28 0 c 130 2.5 0.0 + -1 e 1 308 etot 1.3528E+20 mv 1 20 94 -37 0 + 4 e 216 283 etot -8.3869E+01 mv 2 20 24 -101 0 c 24 2.5 0.0 + 4 e 644 249 etot -7.6627E+01 mv 2 20 181 -97 0 + 4 e 423 269 etot -8.0088E+01 mv 2 20 104 -109 0 + 4 e 263 284 etot -6.5758E+01 mv 2 20 24 -186 0 + 4 e 262 288 etot -8.1125E+01 mv 2 20 27 -147 0 + 4 e 231 281 etot -8.3869E+01 mv 2 20 24 -16 0 c 24 2.9 0.0 + 4 e 215 298 etot -7.5959E+01 mv 2 20 8 -32 0 + 4 e 260 294 etot -6.9352E+01 mv 2 20 141 -100 0 + 4 e 699 256 etot -8.6552E+01 mv 2 20 3 -38 0 c 3 35.3 1.3 + 4 e 196 291 etot -8.3567E+01 mv 2 20 141 -51 0 c 141 1.2 0.0 + 4 e 472 259 etot -7.6862E+01 mv 2 20 3 -14 0 + 4 e 174 296 etot -7.0951E+01 mv 2 20 8 -67 0 + 4 e 391 282 etot -7.2035E+01 mv 2 20 24 -48 0 + 4 e 244 300 etot -7.8561E+01 mv 2 20 8 -52 0 + 4 e 392 271 etot -7.9307E+01 mv 2 20 58 -30 0 + 4 e 192 310 etot -6.8544E+01 mv 1 20 94 -146 0 + 4 e 512 279 etot -7.9243E+01 mv 2 20 130 -136 0 + 4 e 430 268 etot -8.4229E+01 mv 2 20 104 -119 0 + 4 e 250 305 etot -8.2636E+01 mv 1 20 11 -151 0 + 4 e 142 314 etot -8.6032E+01 mv 1 20 172 -62 0 c 172 23.9 0.2 + 4 e 270 304 etot -8.3689E+01 mv 1 20 11 -27 0 f 82 384.5 4.0 + 4 e 356 297 etot -7.3876E+01 mv 2 20 8 -43 0 + 4 e 204 301 etot -8.3451E+01 mv 1 20 11 -39 0 + 4 e 402 292 etot -6.3554E+01 mv 2 20 141 -32 0 + 4 e 303 303 etot -7.8670E+01 mv 1 20 11 -199 0 + 4 e 411 276 etot -7.9598E+01 mv 2 20 130 -186 0 + 4 e 290 306 etot -8.5082E+01 mv 1 20 94 -156 0 + 8 e 38 331 etot -6.3990E+01 mv 1 20 188 -165 0 + 4 e 119 326 etot -8.4926E+01 mv 1 20 190 -8 0 c 190 0.9 0.0 + 4 e 339 295 etot -7.9309E+01 mv 2 20 141 -4 0 + 4 e 388 307 etot -7.1476E+01 mv 1 20 94 -65 0 + 4 e 316 313 etot -7.2441E+01 mv 1 20 172 -44 0 + -1 e 1 339 etot 1.9437E+20 mv 1 20 61 -161 0 + 4 e 145 329 etot -8.4849E+01 mv 1 20 190 -122 0 + 4 e 270 309 etot -8.4215E+01 mv 1 20 94 -136 0 + 4 e 305 316 etot -8.5544E+01 mv 1 20 57 -114 0 + 4 e 401 312 etot -8.1592E+01 mv 1 20 172 -160 0 + 4 e 221 321 etot -8.5443E+01 mv 1 20 28 -81 0 c 28 3.0 0.0 + -1 e 1 347 etot 1.3528E+20 mv 1 20 181 -93 0 + 4 e 337 318 etot -7.4827E+01 mv 1 20 57 -22 0 + 4 e 546 302 etot -8.2634E+01 mv 1 20 11 -59 0 + 4 e 473 285 etot -7.2818E+01 mv 2 20 24 -128 0 + 4 e 478 311 etot -8.6119E+01 mv 1 20 172 -14 0 c 172 29.5 0.1 + 4 e 268 336 etot -8.6523E+01 mv 1 20 61 -121 0 c 61 38.6 0.0 + 4 e 269 337 etot -8.2444E+01 mv 1 20 61 -38 0 + 4 e 379 323 etot -8.3569E+01 mv 1 20 28 -100 0 + 4 e 188 340 etot -8.6494E+01 mv 1 20 61 -52 0 + 4 e 312 320 etot -7.3777E+01 mv 1 20 57 -86 0 + 4 e 390 325 etot -6.5273E+01 mv 1 20 28 -91 0 + -1 e 1 358 etot 1.3528E+20 mv 1 20 3 -197 0 + 4 e 494 317 etot -7.5339E+01 mv 1 20 57 -37 0 + 4 e 170 342 etot -5.7000E+01 mv 1 20 107 -192 0 + 4 e 380 334 etot -7.5490E+01 mv 1 20 188 -70 0 + 4 e 140 348 etot -6.7599E+01 mv 1 20 181 -95 0 + 4 e 402 315 etot -7.6268E+01 mv 1 20 172 -123 0 + 4 e 329 324 etot -7.0541E+01 mv 1 20 28 -108 0 + 4 e 281 335 etot -8.4284E+01 mv 1 20 188 -54 0 + 4 e 560 299 etot -7.1915E+01 mv 2 20 8 -132 0 + 4 e 549 322 etot -7.0711E+01 mv 1 20 28 -194 0 + 4 e 309 332 etot -7.6026E+01 mv 1 20 188 -135 0 + 4 e 156 351 etot -8.4488E+01 mv 1 20 14 -8 0 + 4 e 331 345 etot -8.0703E+01 mv 1 20 107 -17 0 + 4 e 255 350 etot -8.3353E+01 mv 1 20 181 -73 0 + -1 e 1 372 etot 1.7701E+24 mv 1 20 58 -189 0 + 4 e 190 355 etot -8.4488E+01 mv 1 20 14 -143 0 + 4 e 328 346 etot -8.4802E+01 mv 1 20 181 -79 0 + 4 e 442 319 etot -7.1792E+01 mv 1 20 57 -142 0 + 4 e 559 330 etot -8.0660E+01 mv 1 20 190 -184 0 + 4 e 234 354 etot -8.2359E+01 mv 1 20 14 -118 0 + 4 e 440 343 etot -8.2641E+01 mv 1 20 107 -4 0 + 4 e 175 357 etot -7.3071E+01 mv 1 20 3 -84 0 + 4 e 300 353 etot -7.1512E+01 mv 1 20 14 -63 0 + 4 e 274 356 etot -8.0040E+01 mv 1 20 3 -132 0 + 4 e 392 349 etot -8.3798E+01 mv 1 20 181 -60 0 + 4 e 590 333 etot -7.6844E+01 mv 1 20 188 -171 0 + 4 e 465 327 etot -6.9044E+01 mv 1 20 190 -70 0 + 4 e 324 360 etot -8.5286E+01 mv 1 20 3 -39 0 + 4 e 430 352 etot -8.2851E+01 mv 1 20 14 -79 0 + 4 e 230 361 etot -7.5562E+01 mv 1 20 129 -73 0 + 4 e 757 328 etot -6.9309E+01 mv 1 20 190 -141 0 + 4 e 635 338 etot -8.2669E+01 mv 1 20 61 -133 0 + 4 e 287 368 etot -6.9193E+01 mv 1 20 104 -69 0 + 4 e 211 374 etot -7.5868E+01 mv 1 20 58 -183 0 + -1 e 1 392 etot 1.3528E+20 mv 1 20 141 -89 0 + 4 e 606 341 etot -8.2639E+01 mv 1 20 107 -26 0 + 4 e 221 365 etot -7.4062E+01 mv 1 20 129 -199 0 + 4 e 415 344 etot -7.1857E+01 mv 1 20 107 -120 0 + 4 e 219 369 etot -6.9193E+01 mv 1 20 104 -144 0 + 4 e 257 375 etot -6.7583E+01 mv 1 20 58 -96 0 + 4 e 273 371 etot -8.3794E+01 mv 1 20 58 -13 0 + 4 e 224 379 etot -6.9727E+01 mv 1 20 130 -169 0 + 4 e 215 370 etot -8.3513E+01 mv 1 20 104 -142 0 + 4 e 423 362 etot -8.3897E+01 mv 1 20 129 -88 0 f 15 361.1 4.2 + 4 e 219 381 etot -7.6919E+01 mv 1 20 24 -103 0 + 4 e 206 376 etot -8.3579E+01 mv 1 20 130 -88 0 + 4 e 332 377 etot -8.4187E+01 mv 1 20 130 -143 0 c 130 78.2 0.6 + 4 e 268 384 etot -7.8707E+01 mv 1 20 24 -80 0 + 4 e 542 359 etot -8.3990E+01 mv 1 20 3 -184 0 + 4 e 136 388 etot -6.9058E+01 mv 1 20 27 -32 0 + 4 e 101 403 etot -8.5816E+01 mv 0 20 172 0 0 + 4 e 81 401 etot -8.3859E+01 mv 0 20 11 0 0 + 4 e 212 391 etot -8.3714E+01 mv 1 20 141 -45 0 c 141 25.8 0.1 + 4 e 212 385 etot -8.3869E+01 mv 1 20 24 -9 0 + 4 e 207 393 etot -7.2476E+01 mv 1 20 141 -126 0 + 4 e 370 364 etot -7.6356E+01 mv 1 20 129 -24 0 + 4 e 370 363 etot -8.5062E+01 mv 1 20 129 -62 0 c 129 176.2 0.7 + 4 e 86 404 etot -8.5545E+01 mv 0 20 57 0 0 c 57 1.2 0.0 + 4 e 200 398 etot -8.1777E+01 mv 1 20 8 -42 0 + 4 e 377 367 etot -7.6066E+01 mv 1 20 104 -86 0 + 4 e 95 406 etot -8.4926E+01 mv 0 20 190 0 0 c 190 0.7 0.0 + 4 e 477 373 etot -8.0514E+01 mv 1 20 58 -76 0 +## N0 total= 19 close= 7 far= 0 %acc 36.8 +## N1 total= 101 close= 9 far= 4 %acc 12.9 +## N2 total= 100 close= 11 far= 0 %acc 11.0 +## N3 total= 0 close= 0 far= 0 %acc 0.0 +## N4 total= 0 close= 0 far= 0 %acc 0.0 +## N5 total= 0 close= 0 far= 0 %acc 0.0 +## N6 total= 200 close= 31 far= 12 %acc 21.5 +## N7 total= 0 close= 0 far= 0 %acc 0.0 +## N8 total= 0 close= 0 far= 0 %acc 0.0 +## N9 total= 0 close= 0 far= 0 %acc 0.0 +##N10 total= 0 close= 0 far= 0 %acc 0.0 +##N11 total= 0 close= 0 far= 0 %acc 0.0 +##N12 total= 0 close= 0 far= 0 %acc 0.0 +##N13 total= 0 close= 0 far= 0 %acc 0.0 +##N14 total= 0 close= 0 far= 0 %acc 0.0 +##N15 total= 0 close= 0 far= 0 %acc 0.0 +##N16 total= 0 close= 0 far= 0 %acc 0.0 +##N17 total= 0 close= 0 far= 0 %acc 0.0 +##N18 total= 0 close= 0 far= 0 %acc 0.0 + Time for refresh 21 0.52 + make_var : nseed= 20 ntry= 420 + Time for make trial 22 0.08 +Nonsetup time 43.17 sec, Eval/s = 63657.07 +Time for iter 22 2.21 sec, Eval/s = 57305.62 + UPDATING 420 + 4 e 606 394 etot -8.3567E+01 mv 1 20 141 -151 0 + 4 e 544 378 etot -8.2388E+01 mv 1 20 130 -185 0 + 4 e 331 387 etot -7.2924E+01 mv 1 20 27 -139 0 + 4 e 301 400 etot -8.1303E+01 mv 1 20 8 -83 0 + 4 e 132 405 etot -8.5443E+01 mv 0 20 28 0 0 c 28 1.2 0.0 + 4 e 141 409 etot -8.4547E+01 mv 0 20 107 0 0 c 107 1.3 0.0 + 4 e 220 402 etot -8.5675E+01 mv 0 20 94 0 0 c 94 2.3 0.0 + 4 e 404 383 etot -6.9419E+01 mv 1 20 24 -102 0 + 4 e 458 386 etot -8.2212E+01 mv 1 20 27 -50 0 + 4 e 106 419 etot -8.3567E+01 mv 0 20 141 0 0 + 4 e 50 420 etot -8.1842E+01 mv 0 20 8 0 0 c 8 0.7 0.0 + 4 e 272 390 etot -5.9197E+01 mv 1 20 27 -188 0 + 4 e 393 399 etot -7.7407E+01 mv 1 20 8 -197 0 + 4 e 125 407 etot -8.4285E+01 mv 0 20 188 0 0 c 188 0.7 0.0 + -1 e 1 7 etot 1.3528E+20 mv 6 21 3 53 0 + 4 e 149 411 etot -8.4488E+01 mv 0 20 14 0 0 + 4 e 118 417 etot -8.3870E+01 mv 0 20 24 0 0 c 24 1.9 0.0 + 4 e 94 413 etot -8.4327E+01 mv 0 20 129 0 0 + 4 e 330 389 etot -7.2215E+01 mv 1 20 27 -114 0 + 4 e 380 382 etot -7.8378E+01 mv 1 20 24 -154 0 + 4 e 125 416 etot -8.3579E+01 mv 0 20 130 0 0 + 4 e 67 408 etot -8.6494E+01 mv 0 20 61 0 0 + 4 e 108 418 etot -8.2213E+01 mv 0 20 27 0 0 c 155 1.4 0.0 + 4 e 320 395 etot -7.1574E+01 mv 1 20 141 -78 0 + 4 e 378 380 etot -8.3902E+01 mv 1 20 130 -38 0 + 4 e 59 414 etot -8.4231E+01 mv 0 20 104 0 0 + 4 e 552 366 etot -8.7841E+01 mv 1 20 104 -14 0 f 33 348.5 8.1 + 4 e 115 412 etot -8.5286E+01 mv 0 20 3 0 0 + 4 e 323 397 etot -8.1777E+01 mv 1 20 8 -127 0 + 4 e 276 396 etot -7.7902E+01 mv 1 20 8 -54 0 + 4 e 88 415 etot -8.3794E+01 mv 0 20 58 0 0 c 58 0.7 0.0 + 4 e 159 410 etot -8.4803E+01 mv 0 20 181 0 0 + -1 e 1 16 etot 1.3528E+20 mv 6 21 129 146 0 + 4 e 49 21 etot -8.4720E+01 mv 6 21 61 21 0 c 21 0.2 0.0 + 4 e 182 19 etot -7.6837E+01 mv 6 21 129 97 0 + 4 e 212 18 etot -8.5063E+01 mv 6 21 129 102 0 c 129 2.9 0.0 + 4 e 210 11 etot -8.5063E+01 mv 6 21 129 191 0 + 4 e 231 6 etot -8.1341E+01 mv 6 21 3 149 0 + 4 e 262 2 etot -7.0132E+01 mv 6 21 3 179 0 + 4 e 240 31 etot -8.2538E+01 mv 6 21 159 119 0 f 163 365.9 2.8 + 4 e 266 4 etot -7.8088E+01 mv 6 21 3 86 0 + 4 e 262 13 etot -9.0745E+01 mv 6 21 129 35 0 + 4 e 290 27 etot -8.4547E+01 mv 6 21 61 59 0 + 4 e 294 30 etot -8.1931E+01 mv 6 21 61 39 0 f 106 371.8 2.2 + 4 e 289 12 etot -7.3548E+01 mv 6 21 129 194 0 + 4 e 281 10 etot -8.6554E+01 mv 6 21 3 119 0 c 3 4.0 0.0 + 4 e 283 15 etot -8.5062E+01 mv 6 21 129 104 0 + 4 e 294 20 etot -8.1561E+01 mv 6 21 129 24 0 + 4 e 307 14 etot -7.6453E+01 mv 6 21 129 121 0 + 4 e 315 25 etot -8.6493E+01 mv 6 21 61 111 0 + -1 e 1 50 etot 1.3528E+20 mv 6 21 197 186 0 + -1 e 1 51 etot 1.3528E+20 mv 6 21 56 23 0 + -1 e 1 52 etot 1.3528E+20 mv 6 21 56 141 0 + 4 e 302 33 etot -8.5215E+01 mv 6 21 159 88 0 + 4 e 309 29 etot -8.6523E+01 mv 6 21 61 177 0 + 4 e 351 28 etot -8.6493E+01 mv 6 21 61 173 0 + 4 e 437 1 etot -8.6554E+01 mv 6 21 3 29 0 + 4 e 356 5 etot -8.3517E+01 mv 6 21 3 12 0 + 4 e 355 17 etot -8.2213E+01 mv 6 21 129 193 0 + 4 e 366 8 etot -8.2256E+01 mv 6 21 3 85 0 c 85 152.3 1.0 + 4 e 347 32 etot -8.5753E+01 mv 6 21 159 133 0 c 133 185.1 0.4 + 4 e 214 24 etot -8.2672E+01 mv 6 21 61 163 0 f 72 418.0 2.9 + 4 e 208 42 etot -8.6068E+01 mv 6 21 197 127 0 + 4 e 456 9 etot -8.2600E+01 mv 6 21 3 141 0 + 4 e 252 37 etot -8.6699E+01 mv 6 21 159 38 0 c 159 2.4 0.0 + 4 e 225 38 etot -8.6699E+01 mv 6 21 159 30 0 + 4 e 617 3 etot -5.9662E+01 mv 6 21 3 69 0 + 4 e 254 49 etot -8.6055E+01 mv 6 21 197 27 0 c 105 3.1 0.0 + -1 e 1 68 etot 1.3528E+20 mv 6 21 133 84 0 + -1 e 1 69 etot 1.3528E+20 mv 6 21 133 66 0 + 4 e 396 39 etot -8.1689E+01 mv 6 21 159 107 0 c 79 197.2 0.9 + 4 e 328 23 etot -8.0777E+01 mv 6 21 61 164 0 f 161 351.3 1.0 + 4 e 524 26 etot -8.6520E+01 mv 6 21 61 168 0 + 4 e 207 53 etot -8.5444E+01 mv 6 21 56 75 0 + 4 e 283 46 etot -8.3362E+01 mv 6 21 197 168 0 + 4 e 260 57 etot -8.3583E+01 mv 6 21 56 164 0 + 4 e 192 56 etot -8.5444E+01 mv 6 21 56 172 0 + 4 e 229 55 etot -7.6532E+01 mv 6 21 56 145 0 + 4 e 327 60 etot -8.0261E+01 mv 6 21 56 199 0 + 4 e 416 35 etot -7.7737E+01 mv 6 21 159 157 0 + 4 e 408 54 etot -8.4236E+01 mv 6 21 56 107 0 + 4 e 277 58 etot -7.4574E+01 mv 6 21 56 183 0 + 4 e 400 36 etot -8.1047E+01 mv 6 21 159 2 0 f 64 349.2 1.2 + 4 e 340 47 etot -7.9944E+01 mv 6 21 197 176 0 f 120 355.8 0.0 + 4 e 195 70 etot -8.5344E+01 mv 6 21 133 187 0 + 4 e 495 45 etot -7.7705E+01 mv 6 21 197 126 0 + 4 e 182 76 etot -8.5479E+01 mv 6 21 41 194 0 + 4 e 327 63 etot -8.7512E+01 mv 6 21 133 65 0 + 4 e 432 41 etot -8.3963E+01 mv 6 21 197 185 0 + 4 e 303 67 etot -7.0142E+01 mv 6 21 133 163 0 + 4 e 391 43 etot -7.7586E+01 mv 6 21 197 118 0 + 4 e 285 40 etot -8.5675E+01 mv 6 21 159 44 0 + 4 e 412 48 etot -8.5047E+01 mv 6 21 197 29 0 c 87 278.3 2.1 + 4 e 182 74 etot -6.7195E+01 mv 6 21 41 6 0 + 4 e 377 64 etot -8.5215E+01 mv 6 21 133 22 0 + 4 e 394 59 etot -7.9338E+01 mv 6 21 56 24 0 + 4 e 324 71 etot -8.8693E+01 mv 6 21 41 7 0 + 4 e 325 61 etot -8.3432E+01 mv 6 21 133 53 0 + 4 e 185 84 etot -8.3910E+01 mv 6 21 130 9 0 + 4 e 347 75 etot -7.7912E+01 mv 6 21 41 110 0 + 4 e 251 81 etot -8.4187E+01 mv 6 21 130 97 0 c 130 2.2 0.0 + 4 e 357 34 etot -8.2977E+01 mv 6 21 159 87 0 + 4 e 293 80 etot -8.8693E+01 mv 6 21 41 133 0 + 4 e 309 73 etot -8.5141E+01 mv 6 21 41 79 0 c 41 162.5 0.1 + 4 e 347 83 etot -8.4187E+01 mv 6 21 130 96 0 + 4 e 240 93 etot -7.7800E+01 mv 6 21 104 32 0 + 4 e 285 90 etot -7.1059E+01 mv 6 21 130 133 0 + 4 e 602 65 etot -8.3196E+01 mv 6 21 133 74 0 + 4 e 228 62 etot -8.5344E+01 mv 6 21 133 49 0 + 4 e 574 66 etot -8.4142E+01 mv 6 21 133 109 0 c 115 302.6 2.7 + 4 e 425 87 etot -8.1200E+01 mv 6 21 130 34 0 f 120 487.2 1.3 + 4 e 487 82 etot -8.1478E+01 mv 6 21 130 119 0 + 4 e 196 103 etot -8.4929E+01 mv 6 21 181 167 0 + 4 e 434 88 etot -7.7451E+01 mv 6 21 130 136 0 + -1 e 1 114 etot 1.3528E+20 mv 6 21 193 165 0 + 4 e 522 79 etot -8.8693E+01 mv 6 21 41 24 0 + 4 e 342 97 etot -8.1439E+01 mv 6 21 104 191 0 + 4 e 391 44 etot -8.0672E+01 mv 6 21 197 157 0 + 4 e 487 85 etot -9.2230E+01 mv 6 21 130 25 0 c 17 190.5 3.5 + 4 e 189 107 etot -8.4929E+01 mv 6 21 181 73 0 c 181 1.3 0.0 + 4 e 442 89 etot -8.4769E+01 mv 6 21 130 91 0 c 121 105.9 0.8 + 4 e 189 112 etot -8.3312E+01 mv 6 21 193 104 0 + 4 e 203 110 etot -8.4929E+01 mv 6 21 181 160 0 + 4 e 463 95 etot -8.2385E+01 mv 6 21 104 18 0 + 4 e 317 100 etot -8.6911E+01 mv 6 21 104 24 0 c 104 18.4 0.6 + 4 e 293 108 etot -7.9108E+01 mv 6 21 181 41 0 + 4 e 550 86 etot -8.0673E+01 mv 6 21 130 7 0 + -1 e 1 119 etot 1.3528E+20 mv 6 21 193 157 0 + 4 e 333 101 etot -8.3907E+01 mv 6 21 181 198 0 + 4 e 462 96 etot -8.1268E+01 mv 6 21 104 187 0 f 165 380.4 1.3 + 4 e 286 106 etot -8.2597E+01 mv 6 21 181 107 0 + 4 e 565 22 etot -8.4087E+01 mv 6 21 61 185 0 + 4 e 308 94 etot -8.4758E+01 mv 6 21 104 92 0 + 4 e 297 91 etot -7.9242E+01 mv 6 21 104 160 0 + 4 e 435 77 etot -8.8693E+01 mv 6 21 41 91 0 + 4 e 354 78 etot -7.6778E+01 mv 6 21 41 142 0 + -1 e 1 135 etot 1.3528E+20 mv 6 21 134 139 0 + 4 e 226 117 etot -7.8258E+01 mv 6 21 193 143 0 + 4 e 260 116 etot -7.2310E+01 mv 6 21 193 3 0 + 4 e 583 99 etot -8.3099E+01 mv 6 21 104 154 0 + 4 e 351 111 etot -8.3473E+01 mv 6 21 193 103 0 c 71 8.6 0.1 + 4 e 361 104 etot -8.1696E+01 mv 6 21 181 187 0 + 4 e 487 105 etot -8.9104E+01 mv 6 21 181 191 0 + 4 e 209 130 etot -6.7084E+01 mv 6 21 121 162 0 + 4 e 207 122 etot -7.6819E+01 mv 6 21 121 41 0 + 4 e 226 129 etot -8.1900E+01 mv 6 21 121 6 0 + 4 e 225 109 etot -8.5063E+01 mv 6 21 181 25 0 c 181 9.8 0.1 + 4 e 242 125 etot -7.4375E+01 mv 6 21 121 155 0 + 4 e 436 115 etot -7.9003E+01 mv 6 21 193 198 0 + -1 e 1 149 etot 1.3528E+20 mv 6 21 144 46 0 + 4 e 259 124 etot -6.9234E+01 mv 6 21 121 145 0 + 4 e 252 131 etot -8.0983E+01 mv 6 21 134 145 0 + 4 e 191 134 etot -8.1805E+01 mv 6 21 134 149 0 c 149 3.0 0.0 + 4 e 186 141 etot -8.1009E+01 mv 6 21 144 51 0 + 4 e 317 92 etot -8.4302E+01 mv 6 21 104 139 0 + -1 e 1 155 etot 1.3537E+20 mv 6 21 141 3 0 + 4 e 311 126 etot -8.0948E+01 mv 6 21 121 187 0 + -1 e 1 157 etot 1.3528E+20 mv 6 21 141 74 0 + -1 e 1 158 etot 1.3528E+20 mv 6 21 141 76 0 + 4 e 235 133 etot -6.6924E+01 mv 6 21 134 83 0 + 4 e 568 113 etot -7.9296E+01 mv 6 21 193 109 0 + 4 e 143 142 etot -8.2658E+01 mv 6 21 144 94 0 c 144 33.9 0.3 + 4 e 366 127 etot -8.0192E+01 mv 6 21 121 11 0 + -1 e 1 163 etot 1.3528E+20 mv 6 21 110 142 0 + 4 e 365 121 etot -8.0634E+01 mv 6 21 121 200 0 + -1 e 1 164 etot 1.3528E+20 mv 6 21 110 164 0 + 4 e 224 143 etot -7.4852E+01 mv 6 21 144 187 0 + 4 e 543 98 etot -8.1844E+01 mv 6 21 104 12 0 + -1 e 1 168 etot 1.3528E+20 mv 6 21 110 10 0 + -1 e 1 169 etot 1.3528E+20 mv 6 21 110 12 0 + 4 e 387 123 etot -8.0023E+01 mv 6 21 121 149 0 + 4 e 483 72 etot -8.2562E+01 mv 6 21 41 94 0 + 4 e 367 139 etot -8.0683E+01 mv 6 21 134 69 0 + 4 e 404 138 etot -8.0561E+01 mv 6 21 134 88 0 + 4 e 269 144 etot -8.2357E+01 mv 6 21 144 40 0 + 4 e 489 128 etot -7.5017E+01 mv 6 21 121 73 0 + 4 e 320 136 etot -8.2932E+01 mv 6 21 134 45 0 f 59 321.6 2.9 + 4 e 302 146 etot -8.2357E+01 mv 6 21 144 91 0 + 4 e 326 145 etot -8.3401E+01 mv 6 21 144 180 0 c 144 238.8 0.7 + 4 e 276 151 etot -8.3714E+01 mv 6 21 141 155 0 + 4 e 283 150 etot -8.3400E+01 mv 6 21 144 118 0 + 4 e 361 137 etot -8.2371E+01 mv 6 21 134 13 0 + 4 e 213 165 etot -8.2302E+01 mv 6 21 110 136 0 + 4 e 609 120 etot -7.8219E+01 mv 6 21 193 113 0 + 4 e 498 140 etot -8.1105E+01 mv 6 21 134 62 0 + 4 e 545 102 etot -8.5712E+01 mv 6 21 181 99 0 c 181 183.4 0.6 + 4 e 275 161 etot -8.0015E+01 mv 6 21 110 145 0 + 4 e 238 171 etot -8.2213E+01 mv 6 21 155 147 0 + 4 e 125 181 etot -9.0004E+01 mv 6 21 63 47 0 + 4 e 332 154 etot -8.4685E+01 mv 6 21 141 160 0 c 141 65.1 1.0 + 4 e 304 118 etot -8.4885E+01 mv 6 21 193 29 0 c 148 222.4 1.1 + 4 e 439 152 etot -7.6050E+01 mv 6 21 141 137 0 + 4 e 357 159 etot -8.0278E+01 mv 6 21 141 82 0 + 4 e 265 174 etot -8.0398E+01 mv 6 21 155 52 0 + -1 e 1 194 etot 1.3528E+20 mv 6 21 90 52 0 + 4 e 279 173 etot -8.6806E+01 mv 6 21 155 17 0 c 105 126.8 0.8 + 4 e 483 148 etot -8.3293E+01 mv 6 21 144 119 0 + 4 e 316 179 etot -8.2212E+01 mv 6 21 155 17 0 + 4 e 369 176 etot -7.7348E+01 mv 6 21 155 12 0 + 4 e 139 192 etot -8.2569E+01 mv 6 21 90 15 0 + 4 e 350 162 etot -7.7344E+01 mv 6 21 110 102 0 + 4 e 408 175 etot -8.1446E+01 mv 6 21 155 33 0 f 46 488.6 1.4 + 4 e 241 187 etot -8.3542E+01 mv 6 21 63 61 0 f 132 347.3 3.5 + 4 e 255 156 etot -8.1378E+01 mv 6 21 141 140 0 + 4 e 232 189 etot -8.6919E+01 mv 6 21 63 11 0 c 63 237.4 1.7 + 4 e 430 153 etot -8.3371E+01 mv 6 21 141 158 0 + 4 e 329 184 etot -7.4029E+01 mv 6 21 63 196 0 + 4 e 561 166 etot -8.4978E+01 mv 6 21 110 3 0 + 4 e 403 178 etot -8.0276E+01 mv 6 21 155 116 0 + -1 e 1 209 etot 1.3528E+20 mv 2 21 129 -124 0 + 4 e 165 191 etot -7.2491E+01 mv 6 21 90 42 0 + 4 e 213 186 etot -8.1132E+01 mv 6 21 63 16 0 + 4 e 317 188 etot -7.4948E+01 mv 6 21 63 123 0 + -1 e 1 213 etot 1.3528E+20 mv 2 21 61 -183 0 + 4 e 270 177 etot -7.1041E+01 mv 6 21 155 199 0 + 4 e 419 160 etot -8.3398E+01 mv 6 21 141 94 0 c 110 290.0 1.1 + 4 e 602 167 etot -8.6206E+01 mv 6 21 110 24 0 + 4 e 520 147 etot -8.0550E+01 mv 6 21 144 173 0 + 4 e 125 203 etot -6.2479E+01 mv 2 21 3 -87 0 + 4 e 401 172 etot -7.7040E+01 mv 6 21 155 141 0 + 4 e 314 193 etot -8.1911E+01 mv 6 21 90 156 0 + 4 e 309 195 etot -8.2353E+01 mv 6 21 90 180 0 + -1 e 1 222 etot 1.3528E+20 mv 2 21 197 -179 0 + 4 e 308 197 etot -7.7563E+01 mv 6 21 90 31 0 + -1 e 1 224 etot 1.3528E+20 mv 2 21 197 -15 0 + 4 e 128 204 etot -6.6037E+01 mv 2 21 3 -24 0 + 4 e 485 183 etot -8.3454E+01 mv 6 21 63 149 0 + 4 e 230 198 etot -8.1912E+01 mv 6 21 90 3 0 + 4 e 650 132 etot -7.9153E+01 mv 6 21 134 193 0 + 4 e 367 196 etot -8.2568E+01 mv 6 21 90 173 0 + 4 e 448 190 etot -7.7429E+01 mv 6 21 63 97 0 + 4 e 465 170 etot -7.9381E+01 mv 6 21 110 64 0 + 4 e 408 182 etot -8.0520E+01 mv 6 21 63 84 0 + 4 e 178 214 etot -7.3048E+01 mv 2 21 61 -163 0 + 4 e 287 199 etot -8.2366E+01 mv 6 21 90 171 0 + 4 e 289 200 etot -8.4190E+01 mv 6 21 90 172 0 c 47 257.3 0.1 + 4 e 304 202 etot -6.6149E+01 mv 2 21 3 -60 0 + 4 e 661 180 etot -8.4649E+01 mv 6 21 155 25 0 + -1 e 1 237 etot 3.7546E+20 mv 2 21 41 -75 0 + 4 e 280 207 etot -7.2514E+01 mv 2 21 129 -8 0 + 4 e 311 205 etot -8.6554E+01 mv 2 21 3 -69 0 + 4 e 234 217 etot -6.7748E+01 mv 2 21 159 -158 0 + 4 e 165 225 etot -8.6069E+01 mv 2 21 197 -7 0 + 4 e 629 185 etot -8.0735E+01 mv 6 21 63 164 0 + 4 e 123 226 etot -8.5444E+01 mv 2 21 56 -1 0 c 56 0.6 0.0 + 4 e 273 219 etot -7.6076E+01 mv 2 21 159 -97 0 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-8.6268E+01 mv 2 21 104 -154 0 + 4 e 565 210 etot -7.4272E+01 mv 2 21 129 -183 0 + 4 e 384 212 etot -7.9312E+01 mv 2 21 61 -87 0 + 4 e 306 241 etot -7.8350E+01 mv 2 21 130 -47 0 + 4 e 321 240 etot -7.6810E+01 mv 2 21 41 -59 0 + 4 e 285 243 etot -6.7630E+01 mv 2 21 130 -136 0 + 4 e 129 260 etot -8.4701E+01 mv 2 21 193 -75 0 c 193 0.8 0.0 + 4 e 204 257 etot -5.6503E+01 mv 2 21 193 -171 0 + 4 e 214 256 etot -8.4700E+01 mv 2 21 193 -126 0 + 4 e 532 227 etot -7.4057E+01 mv 2 21 56 -55 0 + 4 e 408 238 etot -7.4834E+01 mv 2 21 41 -49 0 + 4 e 257 255 etot -7.6654E+01 mv 2 21 181 -184 0 + 4 e 442 242 etot -5.1224E+01 mv 2 21 130 -126 0 + 4 e 206 264 etot -8.3998E+01 mv 2 21 121 -143 0 + 4 e 242 263 etot -6.7032E+01 mv 2 21 121 -135 0 + 4 e 177 265 etot -8.3998E+01 mv 2 21 121 -141 0 + 4 e 155 272 etot -5.7162E+01 mv 2 21 144 -190 0 + 4 e 288 247 etot -7.5078E+01 mv 2 21 104 -130 0 + 4 e 391 233 etot -8.4795E+01 mv 2 21 133 -77 0 + 4 e 164 275 etot -6.7706E+01 mv 2 21 144 -16 0 + 4 e 331 261 etot -7.7272E+01 mv 2 21 121 -29 0 + 4 e 245 259 etot -7.2138E+01 mv 2 21 193 -198 0 + 4 e 418 232 etot -7.0799E+01 mv 2 21 133 -155 0 + 4 e 293 254 etot -8.3002E+01 mv 2 21 181 -63 0 + 4 e 399 258 etot -8.6657E+01 mv 2 21 193 -8 0 + 4 e 589 211 etot -8.8947E+01 mv 2 21 61 -24 0 c 65 148.5 4.6 + 4 e 479 229 etot -8.4235E+01 mv 2 21 56 -50 0 + 4 e 166 281 etot -8.2302E+01 mv 2 21 110 -187 0 + 4 e 333 266 etot -7.2428E+01 mv 2 21 134 -49 0 + 4 e 248 274 etot -6.9955E+01 mv 2 21 144 -28 0 + -1 e 1 295 etot 1.3528E+20 mv 2 21 63 -93 0 + -1 e 1 297 etot 1.3528E+20 mv 2 21 90 -44 0 + 4 e 311 270 etot -8.1177E+01 mv 2 21 134 -154 0 + 4 e 306 273 etot -8.2357E+01 mv 2 21 144 -30 0 + 4 e 145 286 etot -6.4216E+01 mv 2 21 155 -136 0 + 4 e 244 280 etot -7.9688E+01 mv 2 21 141 -23 0 + 4 e 263 269 etot -7.1250E+01 mv 2 21 134 -34 0 + 4 e 574 251 etot -8.4316E+01 mv 2 21 181 -144 0 + 4 e 370 253 etot -7.3634E+01 mv 2 21 181 -198 0 + 4 e 343 278 etot -7.6723E+01 mv 2 21 141 -82 0 + 4 e 441 271 etot -8.1071E+01 mv 2 21 144 -122 0 f 2 311.3 1.0 + -1 e 1 307 etot 1.3528E+20 mv 1 21 129 -131 0 + 4 e 456 250 etot -8.6020E+01 mv 2 21 104 -128 0 + 4 e 501 267 etot -7.3494E+01 mv 2 21 134 -22 0 + 4 e 213 284 etot -6.3568E+01 mv 2 21 110 -144 0 + 4 e 377 282 etot -7.6783E+01 mv 2 21 110 -1 0 + 4 e 388 279 etot -7.8486E+01 mv 2 21 141 -77 0 + 4 e 210 296 etot -8.2569E+01 mv 2 21 90 -42 0 + 4 e 438 276 etot -8.4863E+01 mv 2 21 141 -95 0 c 141 30.2 0.2 + 4 e 157 305 etot -8.6555E+01 mv 1 21 3 -168 0 c 3 1.0 0.0 + 4 e 428 283 etot -7.2986E+01 mv 2 21 110 -66 0 + 4 e 231 289 etot -8.2889E+01 mv 2 21 155 -71 0 c 155 135.8 0.7 + 4 e 296 300 etot -8.0136E+01 mv 2 21 90 -60 0 + 4 e 277 288 etot -7.1362E+01 mv 2 21 155 -145 0 + 4 e 653 268 etot -7.5550E+01 mv 2 21 134 -163 0 + 4 e 317 298 etot -7.7738E+01 mv 2 21 90 -56 0 + 4 e 428 287 etot -6.6612E+01 mv 2 21 155 -72 0 + -1 e 1 323 etot 1.3528E+20 mv 1 21 197 -102 0 + 4 e 387 291 etot -6.9703E+01 mv 2 21 63 -182 0 + 4 e 604 248 etot -7.8004E+01 mv 2 21 104 -47 0 + 4 e 639 245 etot -8.1477E+01 mv 2 21 130 -132 0 + 4 e 325 301 etot -8.1661E+01 mv 1 21 3 -99 0 + 4 e 375 299 etot -8.3355E+01 mv 2 21 90 -14 0 c 40 185.2 2.7 + 4 e 219 310 etot -8.3502E+01 mv 1 21 129 -179 0 + 4 e 290 290 etot -8.2212E+01 mv 2 21 155 -184 0 + 4 e 213 313 etot -7.0135E+01 mv 1 21 61 -167 0 + 4 e 415 294 etot -7.5868E+01 mv 2 21 63 -73 0 + 4 e 377 304 etot -7.9740E+01 mv 1 21 3 -143 0 + 4 e 376 285 etot -8.2501E+01 mv 2 21 110 -158 0 + 4 e 272 303 etot -7.3583E+01 mv 1 21 3 -157 0 + 4 e 337 306 etot -8.5062E+01 mv 1 21 129 -178 0 + 4 e 739 277 etot -8.3902E+01 mv 2 21 141 -37 0 + 4 e 470 302 etot -8.6554E+01 mv 1 21 3 -9 0 + 4 e 229 319 etot -6.9116E+01 mv 1 21 159 -195 0 + 4 e 227 321 etot -8.4168E+01 mv 1 21 197 -128 0 + 4 e 162 330 etot -8.5444E+01 mv 1 21 56 -81 0 + 4 e 287 309 etot -8.5063E+01 mv 1 21 129 -151 0 + 4 e 425 314 etot -8.6521E+01 mv 1 21 61 -159 0 + 4 e 262 318 etot -6.9418E+01 mv 1 21 159 -55 0 + 4 e 277 333 etot -8.5103E+01 mv 1 21 133 -170 0 + 4 e 506 293 etot -6.7395E+01 mv 2 21 63 -104 0 + 4 e 360 325 etot -8.6066E+01 mv 1 21 197 -31 0 + 4 e 391 322 etot -7.9965E+01 mv 1 21 197 -37 0 + 4 e 189 336 etot -8.5060E+01 mv 1 21 41 -175 0 + 4 e 299 320 etot -7.3729E+01 mv 1 21 159 -7 0 + 4 e 230 338 etot -8.3412E+01 mv 1 21 41 -65 0 + -1 e 1 352 etot 1.3528E+20 mv 1 21 181 -64 0 + 4 e 539 315 etot -7.3257E+01 mv 1 21 61 -178 0 + 4 e 264 326 etot -7.7536E+01 mv 1 21 56 -64 0 + 4 e 656 308 etot -7.5914E+01 mv 1 21 129 -41 0 + 4 e 567 312 etot -7.8189E+01 mv 1 21 61 -13 0 + 4 e 397 311 etot -7.1242E+01 mv 1 21 61 -109 0 + -1 e 1 358 etot 1.3528E+20 mv 1 21 193 -125 0 + 4 e 451 324 etot -8.4911E+01 mv 1 21 197 -4 0 + 4 e 128 349 etot -7.3646E+01 mv 1 21 104 -8 0 + 4 e 325 340 etot -8.1974E+01 mv 1 21 41 -40 0 + 4 e 329 339 etot -8.5059E+01 mv 1 21 41 -158 0 + 4 e 529 317 etot -8.1095E+01 mv 1 21 159 -107 0 c 64 172.9 0.0 + 4 e 391 337 etot -8.1729E+01 mv 1 21 41 -140 0 + 4 e 469 329 etot -5.8858E+01 mv 1 21 56 -110 0 + 4 e 434 316 etot -8.0952E+01 mv 1 21 159 -110 0 + -1 e 1 367 etot 1.3528E+20 mv 1 21 134 -33 0 + 4 e 135 360 etot -8.4701E+01 mv 1 21 193 -98 0 + 4 e 379 342 etot -7.5439E+01 mv 1 21 130 -101 0 + 4 e 208 353 etot -7.1417E+01 mv 1 21 181 -43 0 + 4 e 578 328 etot -7.4865E+01 mv 1 21 56 -92 0 + 4 e 231 348 etot -8.6268E+01 mv 1 21 104 -97 0 + 4 e 545 332 etot -6.4253E+01 mv 1 21 133 -143 0 + 4 e 413 327 etot -8.2127E+01 mv 1 21 56 -173 0 + 4 e 150 355 etot -8.4929E+01 mv 1 21 181 -20 0 + 4 e 229 354 etot -8.4928E+01 mv 1 21 181 -175 0 + 4 e 566 334 etot -8.5340E+01 mv 1 21 133 -168 0 + 4 e 724 292 etot -8.2702E+01 mv 2 21 63 -28 0 + 4 e 193 361 etot -8.2610E+01 mv 1 21 121 -72 0 + 4 e 335 343 etot -7.5167E+01 mv 1 21 130 -85 0 + 4 e 428 344 etot -8.2115E+01 mv 1 21 130 -65 0 + 4 e 134 373 etot -6.6499E+01 mv 1 21 144 -112 0 + 4 e 316 357 etot -8.1305E+01 mv 1 21 193 -19 0 + 4 e 328 356 etot -8.4468E+01 mv 1 21 193 -125 0 + 4 e 289 345 etot -8.1439E+01 mv 1 21 130 -183 0 + 4 e 245 351 etot -8.4928E+01 mv 1 21 181 -104 0 + 4 e 293 365 etot -8.2419E+01 mv 1 21 121 -79 0 + 4 e 453 346 etot -7.9497E+01 mv 1 21 104 -33 0 + 4 e 380 364 etot -6.5514E+01 mv 1 21 121 -180 0 + 4 e 567 335 etot -7.8160E+01 mv 1 21 133 -172 0 + 4 e 409 362 etot -8.1771E+01 mv 1 21 121 -92 0 + 4 e 397 366 etot -8.2322E+01 mv 1 21 134 -35 0 + 4 e 380 347 etot -7.3672E+01 mv 1 21 104 -170 0 + 4 e 736 341 etot -8.0404E+01 mv 1 21 130 -155 0 + 4 e 366 370 etot -8.2429E+01 mv 1 21 134 -87 0 c 134 4.2 0.0 + 4 e 362 372 etot -7.9751E+01 mv 1 21 144 -140 0 + 4 e 400 371 etot -8.2663E+01 mv 1 21 144 -85 0 c 2 158.9 1.6 + 4 e 493 363 etot -8.0021E+01 mv 1 21 121 -129 0 + 4 e 205 381 etot -8.1911E+01 mv 1 21 110 -132 0 + 4 e 386 378 etot -8.1721E+01 mv 1 21 141 -10 0 + 4 e 307 382 etot -8.0921E+01 mv 1 21 110 -39 0 f 176 355.7 0.9 + 4 e 288 385 etot -8.1825E+01 mv 1 21 110 -60 0 c 176 168.6 0.9 + 4 e 689 331 etot -8.5343E+01 mv 1 21 133 -20 0 + 4 e 343 383 etot -7.9590E+01 mv 1 21 110 -107 0 + 4 e 276 388 etot -4.6662E+01 mv 1 21 155 -189 0 + 4 e 503 369 etot -8.2427E+01 mv 1 21 134 -30 0 + 4 e 318 375 etot -8.2357E+01 mv 1 21 144 -108 0 + 4 e 278 389 etot -5.2756E+01 mv 1 21 155 -165 0 + 4 e 492 374 etot -8.2765E+01 mv 1 21 144 -185 0 c 2 19.0 0.1 + 4 e 148 394 etot -6.9626E+01 mv 1 21 63 -118 0 + 4 e 418 380 etot -8.3713E+01 mv 1 21 141 -149 0 + 4 e 100 402 etot -8.5063E+01 mv 0 21 129 0 0 c 129 0.7 0.0 + 4 e 69 405 etot -8.6069E+01 mv 0 21 197 0 0 c 197 0.2 0.0 + 4 e 94 403 etot -8.6523E+01 mv 0 21 61 0 0 c 61 0.7 0.0 + 4 e 133 401 etot -8.6555E+01 mv 0 21 3 0 0 c 3 0.7 0.0 + 4 e 509 377 etot -8.3410E+01 mv 1 21 141 -170 0 c 182 232.6 1.4 + 4 e 414 368 etot -8.2567E+01 mv 1 21 134 -32 0 c 134 122.9 0.1 + 4 e 268 393 etot -7.7868E+01 mv 1 21 63 -85 0 + 4 e 92 410 etot -8.6268E+01 mv 0 21 104 0 0 +## N0 total= 21 close= 12 far= 0 %acc 57.1 +## N1 total= 99 close= 8 far= 2 %acc 10.1 +## N2 total= 100 close= 6 far= 1 %acc 7.0 +## N3 total= 0 close= 0 far= 0 %acc 0.0 +## N4 total= 0 close= 0 far= 0 %acc 0.0 +## N5 total= 0 close= 0 far= 0 %acc 0.0 +## N6 total= 200 close= 28 far= 11 %acc 19.5 +## N7 total= 0 close= 0 far= 0 %acc 0.0 +## N8 total= 0 close= 0 far= 0 %acc 0.0 +## N9 total= 0 close= 0 far= 0 %acc 0.0 +##N10 total= 0 close= 0 far= 0 %acc 0.0 +##N11 total= 0 close= 0 far= 0 %acc 0.0 +##N12 total= 0 close= 0 far= 0 %acc 0.0 +##N13 total= 0 close= 0 far= 0 %acc 0.0 +##N14 total= 0 close= 0 far= 0 %acc 0.0 +##N15 total= 0 close= 0 far= 0 %acc 0.0 +##N16 total= 0 close= 0 far= 0 %acc 0.0 +##N17 total= 0 close= 0 far= 0 %acc 0.0 +##N18 total= 0 close= 0 far= 0 %acc 0.0 + Time for refresh 22 0.26 + make_var : nseed= 20 ntry= 420 + Time for make trial 23 0.10 +Nonsetup time 45.13 sec, Eval/s = 63618.76 +Time for iter 23 1.96 sec, Eval/s = 62773.65 + UPDATING 420 + 4 e 87 406 etot -8.5444E+01 mv 0 21 56 0 0 c 56 0.4 0.0 + 4 e 570 392 etot -7.7100E+01 mv 1 21 63 -25 0 + 4 e 97 415 etot -8.2358E+01 mv 0 21 144 0 0 + 4 e 63 417 etot -8.2302E+01 mv 0 21 110 0 0 c 176 71.9 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72 -174 0 + 4 e 253 346 etot -8.1938E+01 mv 1 22 144 -126 0 + 4 e 456 338 etot -7.5361E+01 mv 1 22 121 -126 0 + 4 e 356 349 etot -8.0790E+01 mv 1 22 144 -6 0 + 4 e 472 339 etot -7.9324E+01 mv 1 22 121 -195 0 + 4 e 240 353 etot -6.9301E+01 mv 1 22 110 -77 0 + 4 e 343 358 etot -6.6757E+01 mv 1 22 72 -2 0 + 4 e 370 354 etot -8.1717E+01 mv 1 22 110 -11 0 + 4 e 488 331 etot -8.2461E+01 mv 1 22 181 -16 0 + 4 e 260 359 etot -8.2671E+01 mv 1 22 72 -41 0 + 4 e 189 371 etot -8.3606E+01 mv 1 22 146 -166 0 + 4 e 318 352 etot -7.4447E+01 mv 1 22 110 -35 0 + 4 e 424 355 etot -8.0738E+01 mv 1 22 110 -172 0 + 4 e 287 368 etot -8.1118E+01 mv 1 22 60 -134 0 + 4 e 265 374 etot -8.0132E+01 mv 1 22 146 -80 0 + 4 e 676 310 etot -8.8999E+01 mv 1 22 198 -95 0 + 4 e 412 365 etot -8.8940E+01 mv 1 22 42 -193 0 c 42 2.9 0.0 + 4 e 391 366 etot -7.9585E+01 mv 1 22 60 -41 0 + 4 e 305 372 etot -7.6457E+01 mv 1 22 146 -52 0 + 4 e 286 375 etot -7.9002E+01 mv 1 22 146 -123 0 + 4 e 597 350 etot -8.3399E+01 mv 1 22 144 -131 0 + 4 e 347 370 etot -8.3967E+01 mv 1 22 60 -179 0 + 4 e 457 364 etot -7.7415E+01 mv 1 22 42 -99 0 + 4 e 252 373 etot -7.4132E+01 mv 1 22 146 -135 0 + 4 e 155 385 etot -8.1835E+01 mv 1 22 47 -178 0 + 4 e 327 379 etot -8.1106E+01 mv 1 22 134 -66 0 + 4 e 319 380 etot -8.2568E+01 mv 1 22 134 -64 0 + 4 e 286 384 etot -8.1870E+01 mv 1 22 47 -164 0 + 4 e 53 402 etot -8.7285E+01 mv 0 22 198 0 0 + 4 e 184 391 etot -8.1977E+01 mv 1 22 128 -42 0 c 128 1.3 0.0 + 4 e 66 403 etot -9.0746E+01 mv 0 22 35 0 0 c 35 0.5 0.0 + 4 e 530 348 etot -7.9790E+01 mv 1 22 144 -156 0 + 4 e 412 362 etot -8.4967E+01 mv 1 22 42 -191 0 + 4 e 559 369 etot -8.7079E+01 mv 1 22 60 -116 0 c 130 248.8 2.9 + 4 e 471 377 etot -8.2732E+01 mv 1 22 134 -185 0 c 134 169.6 0.2 + 4 e 437 361 etot -8.2686E+01 mv 1 22 42 -112 0 + 4 e 479 376 etot -8.1755E+01 mv 1 22 134 -94 0 + 4 e 186 397 etot -8.3595E+01 mv 1 22 82 -54 0 + 4 e 394 383 etot -7.6377E+01 mv 1 22 47 -179 0 + 4 e 78 405 etot -8.6807E+01 mv 0 22 105 0 0 + 4 e 211 398 etot -7.0326E+01 mv 1 22 82 -155 0 + 4 e 331 390 etot -8.2257E+01 mv 1 22 85 -40 0 + 4 e 125 404 etot -8.6121E+01 mv 0 22 172 0 0 + 4 e 263 393 etot -6.8284E+01 mv 1 22 128 -158 0 +## N0 total= 19 close= 7 far= 0 %acc 36.8 +## N1 total= 101 close= 11 far= 1 %acc 11.9 +## N2 total= 100 close= 11 far= 2 %acc 13.0 +## N3 total= 0 close= 0 far= 0 %acc 0.0 +## N4 total= 0 close= 0 far= 0 %acc 0.0 +## N5 total= 0 close= 0 far= 0 %acc 0.0 +## N6 total= 200 close= 37 far= 13 %acc 25.0 +## N7 total= 0 close= 0 far= 0 %acc 0.0 +## N8 total= 0 close= 0 far= 0 %acc 0.0 +## N9 total= 0 close= 0 far= 0 %acc 0.0 +##N10 total= 0 close= 0 far= 0 %acc 0.0 +##N11 total= 0 close= 0 far= 0 %acc 0.0 +##N12 total= 0 close= 0 far= 0 %acc 0.0 +##N13 total= 0 close= 0 far= 0 %acc 0.0 +##N14 total= 0 close= 0 far= 0 %acc 0.0 +##N15 total= 0 close= 0 far= 0 %acc 0.0 +##N16 total= 0 close= 0 far= 0 %acc 0.0 +##N17 total= 0 close= 0 far= 0 %acc 0.0 +##N18 total= 0 close= 0 far= 0 %acc 0.0 + Time for refresh 23 0.54 + make_var : nseed= 20 ntry= 420 + Time for make trial 24 0.14 +Nonsetup time 47.35 sec, Eval/s = 63147.33 +Time for iter 24 2.22 sec, Eval/s = 53558.54 + UPDATING 420 + 4 e 342 399 etot -8.4287E+01 mv 1 22 82 -35 0 c 82 95.3 0.5 + 4 e 163 414 etot -8.3968E+01 mv 0 22 60 0 0 c 176 1.0 0.0 + 4 e 97 417 etot -8.4192E+01 mv 0 22 47 0 0 c 47 0.8 0.0 + 4 e 117 415 etot -8.3606E+01 mv 0 22 146 0 0 c 146 0.4 0.0 + 4 e 364 389 etot -7.6699E+01 mv 1 22 85 -11 0 + 4 e 131 410 etot -8.3401E+01 mv 0 22 144 0 0 c 144 2.2 0.0 + 4 e 475 381 etot -7.7529E+01 mv 1 22 47 -27 0 + 4 e 119 407 etot -8.5714E+01 mv 0 22 181 0 0 c 181 1.0 0.0 + 4 e 126 411 etot -8.3400E+01 mv 0 22 110 0 0 c 110 0.9 0.0 + -1 e 1 1 etot 1.3528E+20 mv 6 23 85 159 0 + 4 e 333 395 etot -7.1578E+01 mv 1 22 128 -117 0 + 4 e 147 416 etot -8.2569E+01 mv 0 22 134 0 0 + 4 e 123 419 etot -8.1977E+01 mv 0 22 128 0 0 c 128 0.8 0.0 + 4 e 390 387 etot -8.0613E+01 mv 1 22 85 -2 0 f 96 384.8 0.0 + 4 e 259 396 etot -8.1869E+01 mv 1 22 82 -155 0 + -1 e 1 7 etot 1.3528E+20 mv 6 23 85 94 0 + 4 e 353 394 etot -8.1359E+01 mv 1 22 128 -193 0 + 4 e 149 418 etot -8.2257E+01 mv 0 22 85 0 0 c 96 196.2 1.6 + 4 e 185 413 etot -8.8941E+01 mv 0 22 42 0 0 c 42 1.4 0.0 + 4 e 95 420 etot -8.3690E+01 mv 0 22 82 0 0 + 4 e 128 406 etot -8.8949E+01 mv 0 22 65 0 0 c 65 1.1 0.0 + 4 e 130 408 etot -8.4772E+01 mv 0 22 121 0 0 c 121 2.1 0.0 + 4 e 566 367 etot -8.8385E+01 mv 1 22 60 -5 0 + 4 e 148 409 etot -8.3475E+01 mv 0 22 71 0 0 + -1 e 1 17 etot 1.3528E+20 mv 6 23 198 102 0 + 4 e 278 392 etot -8.1772E+01 mv 1 22 128 -25 0 + 4 e 541 357 etot -8.3326E+01 mv 1 22 72 -137 0 c 72 140.6 0.7 + 4 e 118 401 etot -8.3413E+01 mv 0 22 182 0 0 + 4 e 305 382 etot -6.9868E+01 mv 1 22 47 -177 0 + 4 e 510 378 etot -5.7121E+01 mv 1 22 134 -164 0 + -1 e 1 23 etot 1.3528E+20 mv 6 23 33 51 0 + -1 e 1 25 etot 1.3528E+20 mv 6 23 33 105 0 + 4 e 199 400 etot -8.3690E+01 mv 1 22 82 -196 0 + 4 e 373 388 etot -8.0766E+01 mv 1 22 85 -117 0 + 4 e 561 386 etot -7.7112E+01 mv 1 22 85 -184 0 + 4 e 45 412 etot -8.2672E+01 mv 0 22 72 0 0 + -1 e 1 31 etot 2.6243E+20 mv 6 23 172 177 0 + 4 e 144 15 etot -7.7365E+01 mv 6 23 198 168 0 + 4 e 184 21 etot -6.6364E+01 mv 6 23 33 127 0 + 4 e 206 3 etot -8.6699E+01 mv 6 23 85 159 0 + 4 e 197 13 etot -8.6599E+01 mv 6 23 198 20 0 c 20 1.2 0.0 + 4 e 186 26 etot -9.0514E+01 mv 6 23 33 102 0 + 4 e 216 18 etot -8.8203E+01 mv 6 23 198 71 0 c 198 1.3 0.0 + 4 e 228 4 etot -8.3202E+01 mv 6 23 85 94 0 c 85 38.7 0.2 + 4 e 224 14 etot -8.8202E+01 mv 6 23 198 95 0 + 4 e 231 5 etot -8.3004E+01 mv 6 23 85 83 0 + 4 e 238 20 etot -8.2012E+01 mv 6 23 198 78 0 + 4 e 218 22 etot -8.9587E+01 mv 6 23 33 89 0 c 33 89.6 1.7 + -1 e 1 48 etot 1.3528E+20 mv 6 23 34 26 0 + 4 e 248 28 etot -8.9587E+01 mv 6 23 33 53 0 c 33 2.1 0.0 + 4 e 247 12 etot -7.9478E+01 mv 6 23 198 131 0 + -1 e 1 51 etot 1.3528E+20 mv 6 23 60 31 0 + 4 e 226 6 etot -8.1783E+01 mv 6 23 85 83 0 c 83 2.7 0.0 + 4 e 309 10 etot -8.6481E+01 mv 6 23 85 80 0 + 4 e 266 16 etot -7.2317E+01 mv 6 23 198 67 0 + -1 e 1 55 etot 1.3528E+20 mv 6 23 60 80 0 + 4 e 265 11 etot -8.6039E+01 mv 6 23 198 18 0 c 62 255.4 4.6 + 4 e 279 32 etot -8.0849E+01 mv 6 23 172 74 0 + 4 e 302 30 etot -8.5079E+01 mv 6 23 33 108 0 + 4 e 203 36 etot -8.7007E+01 mv 6 23 172 161 0 c 172 3.5 0.0 + 4 e 418 2 etot -8.3003E+01 mv 6 23 85 138 0 + 4 e 346 29 etot -8.9585E+01 mv 6 23 33 159 0 + 4 e 354 27 etot -8.0520E+01 mv 6 23 33 98 0 + -1 e 1 63 etot 1.3528E+20 mv 6 23 105 44 0 + -1 e 1 64 etot 1.3528E+20 mv 6 23 105 182 0 + -1 e 1 65 etot 1.3528E+20 mv 6 23 105 70 0 + 4 e 371 8 etot -8.2140E+01 mv 6 23 85 23 0 + 4 e 378 19 etot -7.7358E+01 mv 6 23 198 12 0 + -1 e 1 68 etot 1.3528E+20 mv 6 23 105 72 0 + -1 e 1 69 etot 1.3528E+20 mv 6 23 105 19 0 + 4 e 143 47 etot -8.7772E+01 mv 6 23 34 101 0 c 150 222.0 0.1 + 4 e 282 40 etot -8.7007E+01 mv 6 23 172 5 0 + -1 e 1 72 etot 1.3528E+20 mv 6 23 99 81 0 + 4 e 364 37 etot -8.4319E+01 mv 6 23 172 180 0 + 4 e 216 39 etot -8.7008E+01 mv 6 23 172 199 0 c 172 1.6 0.0 + -1 e 1 75 etot 1.3528E+20 mv 6 23 99 167 0 + 4 e 193 45 etot -8.6689E+01 mv 6 23 34 191 0 c 34 1.4 0.0 + 4 e 180 49 etot -8.2386E+01 mv 6 23 34 171 0 + 4 e 187 61 etot -8.6943E+01 mv 6 23 105 89 0 + 4 e 234 35 etot -8.4430E+01 mv 6 23 172 64 0 + 4 e 61 77 etot -8.6523E+01 mv 6 23 99 61 0 c 61 0.2 0.0 + 4 e 284 41 etot -8.0950E+01 mv 6 23 34 70 0 f 114 323.7 0.3 + 4 e 275 44 etot -7.5835E+01 mv 6 23 34 79 0 + 4 e 261 53 etot -8.3138E+01 mv 6 23 60 108 0 + 4 e 195 62 etot -8.6806E+01 mv 6 23 105 192 0 + 4 e 257 58 etot -8.5932E+01 mv 6 23 60 18 0 + -1 e 1 86 etot 1.3528E+20 mv 6 23 84 99 0 + 4 e 204 66 etot -8.6943E+01 mv 6 23 105 147 0 c 105 2.1 0.0 + 4 e 271 57 etot -8.5665E+01 mv 6 23 60 188 0 c 60 2.4 0.0 + 4 e 326 50 etot -7.8854E+01 mv 6 23 34 199 0 + 4 e 210 70 etot -8.6943E+01 mv 6 23 105 191 0 c 105 2.0 0.0 + 4 e 206 76 etot -8.5135E+01 mv 6 23 99 140 0 c 99 3.7 0.0 + 4 e 601 9 etot -7.7473E+01 mv 6 23 85 131 0 + 4 e 518 54 etot -8.3238E+01 mv 6 23 60 8 0 + 4 e 305 71 etot -8.4602E+01 mv 6 23 99 36 0 + 4 e 471 43 etot -7.6278E+01 mv 6 23 34 47 0 + 4 e 222 83 etot -8.4037E+01 mv 6 23 84 158 0 c 84 5.6 0.0 + 4 e 49 94 etot -8.3606E+01 mv 6 23 15 146 0 c 146 0.3 0.0 + 4 e 398 52 etot -8.0843E+01 mv 6 23 60 199 0 + 4 e 422 73 etot -7.9802E+01 mv 6 23 99 151 0 + 4 e 615 24 etot -5.5983E+01 mv 6 23 33 85 0 + -1 e 1 101 etot 1.3528E+20 mv 6 23 71 1 0 + 4 e 301 67 etot -8.6520E+01 mv 6 23 105 70 0 + 4 e 502 56 etot -8.5548E+01 mv 6 23 60 192 0 + 4 e 345 79 etot -8.4922E+01 mv 6 23 99 140 0 + 4 e 447 42 etot -8.5110E+01 mv 6 23 34 139 0 + 4 e 617 46 etot -7.5520E+01 mv 6 23 34 91 0 + 4 e 450 59 etot -8.4766E+01 mv 6 23 60 14 0 c 139 249.4 0.3 + 4 e 209 60 etot -7.7279E+01 mv 6 23 60 114 0 + 4 e 629 38 etot -7.7779E+01 mv 6 23 172 12 0 + 4 e 315 74 etot -8.4254E+01 mv 6 23 99 188 0 + 4 e 291 82 etot -6.8715E+01 mv 6 23 84 32 0 + 8 e 30 106 etot -6.3996E+01 mv 6 23 71 12 0 + 4 e 275 91 etot -8.5061E+01 mv 6 23 15 32 0 c 148 207.4 0.2 + 4 e 273 92 etot -8.2007E+01 mv 6 23 15 118 0 + -1 e 1 115 etot 1.3528E+20 mv 6 23 101 38 0 + 4 e 344 81 etot -7.8129E+01 mv 6 23 84 2 0 + 4 e 296 87 etot -8.4036E+01 mv 6 23 84 53 0 + 4 e 204 98 etot -8.4268E+01 mv 6 23 15 162 0 + 4 e 106 107 etot -7.1903E+01 mv 6 23 71 158 0 + 4 e 258 88 etot -7.5105E+01 mv 6 23 84 145 0 + 4 e 434 34 etot -7.8623E+01 mv 6 23 172 120 0 + 4 e 366 78 etot -8.0668E+01 mv 6 23 99 143 0 f 168 318.3 0.0 + 4 e 245 99 etot -8.2306E+01 mv 6 23 15 14 0 c 177 220.1 1.3 + 4 e 321 85 etot -8.1962E+01 mv 6 23 84 74 0 + 4 e 332 93 etot -8.6068E+01 mv 6 23 15 197 0 + 4 e 489 33 etot -8.4072E+01 mv 6 23 172 90 0 + 4 e 343 97 etot -8.3920E+01 mv 6 23 15 170 0 c 15 186.0 0.0 + 4 e 304 104 etot -8.3474E+01 mv 6 23 71 69 0 + 4 e 326 90 etot -7.7601E+01 mv 6 23 84 182 0 + -1 e 1 129 etot 1.3528E+20 mv 6 23 59 169 0 + 4 e 564 84 etot -8.2763E+01 mv 6 23 84 54 0 + -1 e 1 132 etot 1.3528E+20 mv 6 23 18 129 0 + 4 e 382 100 etot -7.2035E+01 mv 6 23 15 137 0 + 4 e 220 80 etot -8.5930E+01 mv 6 23 99 189 0 + -1 e 1 135 etot 1.3528E+20 mv 6 23 18 198 0 + 4 e 259 110 etot -8.2861E+01 mv 6 23 71 43 0 + -1 e 1 136 etot 1.3528E+20 mv 6 23 18 156 0 + 4 e 256 112 etot -8.2892E+01 mv 6 23 101 103 0 + -1 e 1 139 etot 1.3528E+20 mv 6 23 18 31 0 + 4 e 187 108 etot -7.2598E+01 mv 6 23 71 30 0 + -1 e 1 141 etot 1.3528E+20 mv 6 23 75 148 0 + 4 e 331 105 etot -7.8923E+01 mv 6 23 71 116 0 + 4 e 391 103 etot -7.2675E+01 mv 6 23 71 130 0 + 4 e 239 119 etot -8.5302E+01 mv 6 23 101 173 0 + 4 e 265 120 etot -7.1246E+01 mv 6 23 101 34 0 + 4 e 287 102 etot -8.2861E+01 mv 6 23 71 48 0 + 4 e 313 117 etot -7.9894E+01 mv 6 23 101 42 0 + 4 e 71 145 etot -8.5545E+01 mv 6 23 75 57 0 c 57 0.4 0.0 + 4 e 176 131 etot -6.8882E+01 mv 6 23 18 164 0 + 4 e 151 137 etot -8.1416E+01 mv 6 23 18 184 0 + 4 e 568 96 etot -8.1798E+01 mv 6 23 15 121 0 f 36 491.1 1.2 + 4 e 570 95 etot -8.7602E+01 mv 6 23 15 182 0 + 4 e 631 89 etot -8.2877E+01 mv 6 23 84 130 0 f 168 318.1 2.2 + 4 e 243 134 etot -8.5431E+01 mv 6 23 18 14 0 c 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0 + 4 e 194 122 etot -8.1441E+01 mv 6 23 59 170 0 f 145 313.0 0.7 + 4 e 152 160 etot -7.4031E+01 mv 6 23 2 19 0 + 4 e 462 111 etot -8.9026E+01 mv 6 23 101 115 0 c 101 193.7 5.9 + -1 e 1 177 etot 1.3528E+20 mv 6 23 170 101 0 + 4 e 258 109 etot -8.2797E+01 mv 6 23 71 124 0 + 4 e 372 149 etot -7.3475E+01 mv 6 23 75 174 0 + 4 e 390 151 etot -7.2919E+01 mv 6 23 2 149 0 + 4 e 448 148 etot -8.2816E+01 mv 6 23 75 145 0 c 75 3.6 0.0 + 4 e 614 128 etot -8.5065E+01 mv 6 23 59 186 0 + 4 e 286 147 etot -8.1368E+01 mv 6 23 75 179 0 + 4 e 277 162 etot -7.3845E+01 mv 6 23 134 131 0 + 4 e 542 121 etot -7.8366E+01 mv 6 23 59 34 0 + 4 e 415 155 etot -7.0962E+01 mv 6 23 2 123 0 + 4 e 320 161 etot -7.3949E+01 mv 6 23 134 85 0 + 4 e 453 154 etot -8.4738E+01 mv 6 23 2 104 0 + 4 e 297 127 etot -8.4905E+01 mv 6 23 59 22 0 c 22 66.4 0.9 + -1 e 1 189 etot 1.3528E+20 mv 6 23 163 200 0 + 4 e 145 171 etot -8.2329E+01 mv 6 23 170 190 0 + 4 e 323 165 etot -8.2808E+01 mv 6 23 134 132 0 c 134 30.8 0.1 + 4 e 432 157 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276 etot -8.2766E+01 mv 2 23 2 -14 0 c 2 4.2 0.0 + 4 e 573 237 etot -7.5378E+01 mv 2 23 99 -62 0 + 4 e 223 290 etot -7.6760E+01 mv 2 23 170 -57 0 + 4 e 200 291 etot -6.9903E+01 mv 2 23 163 -196 0 + 4 e 623 235 etot -8.0252E+01 mv 2 23 105 -30 0 + 4 e 534 279 etot -7.0797E+01 mv 2 23 2 -155 0 + 4 e 509 280 etot -8.2765E+01 mv 2 23 2 -28 0 + 4 e 220 300 etot -7.0637E+01 mv 2 23 12 -23 0 + 4 e 169 312 etot -5.8844E+01 mv 1 23 33 -196 0 + 4 e 651 271 etot -7.5792E+01 mv 2 23 75 -170 0 + 4 e 511 284 etot -7.5498E+01 mv 2 23 134 -110 0 + 4 e 300 289 etot -7.1326E+01 mv 2 23 170 -150 0 + 4 e 136 319 etot -7.7943E+01 mv 1 23 172 -110 0 + 4 e 214 307 etot -8.7358E+01 mv 1 23 198 -100 0 + 4 e 471 288 etot -7.4013E+01 mv 2 23 170 -173 0 + 4 e 408 299 etot -8.1803E+01 mv 2 23 12 -102 0 + 4 e 331 311 etot -7.6464E+01 mv 1 23 33 -34 0 + -1 e 1 329 etot 1.3528E+20 mv 1 23 60 -83 0 + 4 e 414 298 etot -7.1639E+01 mv 2 23 12 -191 0 + 4 e 245 318 etot -7.8862E+01 mv 1 23 172 -101 0 + 4 e 365 292 etot -6.8432E+01 mv 2 23 163 -199 0 + 4 e 390 313 etot -8.7996E+01 mv 1 23 33 -119 0 + 4 e 351 315 etot -8.7997E+01 mv 1 23 33 -101 0 + 4 e 540 295 etot -5.8441E+01 mv 2 23 163 -157 0 + 4 e 295 320 etot -8.5631E+01 mv 1 23 172 -83 0 + 4 e 538 297 etot -7.5971E+01 mv 2 23 12 -17 0 + 4 e 589 293 etot -8.2593E+01 mv 2 23 163 -56 0 c 113 270.9 1.7 + 4 e 333 308 etot -8.5126E+01 mv 1 23 198 -130 0 + 4 e 459 287 etot -7.4626E+01 mv 2 23 170 -39 0 + 4 e 397 301 etot -7.8322E+01 mv 1 23 85 -122 0 + -1 e 1 342 etot 1.3528E+20 mv 1 23 84 -145 0 + -1 e 1 343 etot 1.3528E+20 mv 1 23 84 -180 0 + 4 e 522 310 etot -8.7663E+01 mv 1 23 198 -45 0 + 4 e 318 314 etot -8.7996E+01 mv 1 23 33 -7 0 + 4 e 443 316 etot -7.9917E+01 mv 1 23 172 -7 0 + 4 e 586 305 etot -8.0493E+01 mv 1 23 85 -28 0 + 4 e 619 303 etot -8.1237E+01 mv 1 23 85 -145 0 + 4 e 310 317 etot -7.7936E+01 mv 1 23 172 -190 0 + 4 e 166 335 etot -7.3330E+01 mv 1 23 105 -123 0 + 4 e 257 331 etot -8.6943E+01 mv 1 23 105 -44 0 + 4 e 296 325 etot -8.0039E+01 mv 1 23 34 -79 0 + 4 e 409 321 etot -8.0038E+01 mv 1 23 34 -83 0 + 4 e 450 304 etot -8.2617E+01 mv 1 23 85 -108 0 + 4 e 438 306 etot -8.5503E+01 mv 1 23 198 -47 0 + 4 e 457 322 etot -7.0732E+01 mv 1 23 34 -97 0 + -1 e 1 357 etot 1.3528E+20 mv 1 23 101 -17 0 + 4 e 495 296 etot -7.7880E+01 mv 2 23 12 -144 0 + 4 e 380 323 etot -7.9945E+01 mv 1 23 34 -109 0 + 4 e 213 336 etot -8.5135E+01 mv 1 23 99 -93 0 + 4 e 288 332 etot -6.6522E+01 mv 1 23 105 -35 0 + 4 e 353 327 etot -7.1732E+01 mv 1 23 60 -84 0 + 4 e 339 328 etot -6.3694E+01 mv 1 23 60 -48 0 + 4 e 198 347 etot -6.8528E+01 mv 1 23 15 -19 0 + 4 e 302 326 etot -8.5665E+01 mv 1 23 60 -181 0 + 4 e 408 330 etot -7.8388E+01 mv 1 23 60 -71 0 + 4 e 316 337 etot -7.8334E+01 mv 1 23 99 -74 0 + 4 e 336 324 etot -8.0104E+01 mv 1 23 34 -117 0 + 4 e 205 340 etot -8.5135E+01 mv 1 23 99 -196 0 + 4 e 254 333 etot -8.5911E+01 mv 1 23 105 -27 0 c 10 275.7 2.2 + 4 e 612 294 etot -8.1421E+01 mv 2 23 163 -107 0 f 116 354.1 0.7 + 4 e 208 351 etot 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4 e 186 366 etot -8.2849E+01 mv 1 23 18 -141 0 + 4 e 213 373 etot -8.1266E+01 mv 1 23 75 -42 0 + 4 e 306 350 etot -8.3376E+01 mv 1 23 15 -126 0 + 4 e 270 359 etot -7.4470E+01 mv 1 23 101 -175 0 + 4 e 522 348 etot -8.3896E+01 mv 1 23 15 -184 0 + -1 e 1 398 etot 1.3528E+20 mv 1 23 12 -55 0 + 4 e 230 375 etot -8.1266E+01 mv 1 23 75 -77 0 + 4 e 306 368 etot -5.9860E+01 mv 1 23 18 -110 0 + 4 e 259 376 etot -8.2573E+01 mv 1 23 2 -173 0 + 4 e 431 362 etot -8.1327E+01 mv 1 23 59 -120 0 + 4 e 686 334 etot -8.5816E+01 mv 1 23 105 -183 0 + 4 e 153 391 etot -8.2538E+01 mv 1 23 163 -46 0 c 163 1.5 0.0 + 4 e 83 402 etot -8.8203E+01 mv 0 23 198 0 0 c 198 0.9 0.0 + 4 e 312 379 etot -7.9783E+01 mv 1 23 2 -99 0 + 4 e 381 356 etot -8.3124E+01 mv 1 23 101 -23 0 + 4 e 238 390 etot -8.1528E+01 mv 1 23 170 -104 0 f 29 296.5 0.7 + 4 e 258 384 etot -8.2734E+01 mv 1 23 134 -145 0 + 4 e 270 382 etot -8.2598E+01 mv 1 23 134 -40 0 + 4 e 289 381 etot -6.1807E+01 mv 1 23 134 -153 0 + 4 e 76 405 etot -8.6689E+01 mv 0 23 34 0 0 + 4 e 128 401 etot -8.3005E+01 mv 0 23 85 0 0 + 4 e 259 377 etot -6.8427E+01 mv 1 23 2 -135 0 + 4 e 100 404 etot -8.7008E+01 mv 0 23 172 0 0 + 4 e 351 386 etot -8.2596E+01 mv 1 23 170 -46 0 c 29 36.4 1.1 + 4 e 261 393 etot -8.1070E+01 mv 1 23 163 -168 0 + 4 e 116 407 etot -8.6944E+01 mv 0 23 105 0 0 c 105 0.4 0.0 + 4 e 119 406 etot -8.5665E+01 mv 0 23 60 0 0 c 60 1.4 0.0 +## N0 total= 22 close= 14 far= 0 %acc 63.6 +## N1 total= 98 close= 5 far= 2 %acc 7.1 +## N2 total= 100 close= 10 far= 1 %acc 11.0 +## N3 total= 0 close= 0 far= 0 %acc 0.0 +## N4 total= 0 close= 0 far= 0 %acc 0.0 +## N5 total= 0 close= 0 far= 0 %acc 0.0 +## N6 total= 200 close= 38 far= 10 %acc 24.0 +## N7 total= 0 close= 0 far= 0 %acc 0.0 +## N8 total= 0 close= 0 far= 0 %acc 0.0 +## N9 total= 0 close= 0 far= 0 %acc 0.0 +##N10 total= 0 close= 0 far= 0 %acc 0.0 +##N11 total= 0 close= 0 far= 0 %acc 0.0 +##N12 total= 0 close= 0 far= 0 %acc 0.0 +##N13 total= 0 close= 0 far= 0 %acc 0.0 +##N14 total= 0 close= 0 far= 0 %acc 0.0 +##N15 total= 0 close= 0 far= 0 %acc 0.0 +##N16 total= 0 close= 0 far= 0 %acc 0.0 +##N17 total= 0 close= 0 far= 0 %acc 0.0 +##N18 total= 0 close= 0 far= 0 %acc 0.0 + Time for refresh 24 0.44 + make_var : nseed= 20 ntry= 420 + Time for make trial 25 0.14 +Nonsetup time 49.41 sec, Eval/s = 62947.40 +Time for iter 25 2.07 sec, Eval/s = 58366.55 + UPDATING 420 + 4 e 120 411 etot -8.3538E+01 mv 0 23 71 0 0 c 71 1.3 0.0 + 4 e 448 383 etot -7.4615E+01 mv 1 23 134 -14 0 + 4 e 232 403 etot -8.7997E+01 mv 0 23 33 0 0 + 4 e 453 388 etot -7.5490E+01 mv 1 23 170 -48 0 + 4 e 649 380 etot -7.8462E+01 mv 1 23 2 -182 0 + 4 e 175 417 etot -8.2734E+01 mv 0 23 134 0 0 + 4 e 131 410 etot -8.3899E+01 mv 0 23 15 0 0 + 4 e 77 418 etot -8.2597E+01 mv 0 23 170 0 0 c 29 2.4 0.0 + 4 e 133 409 etot -8.4037E+01 mv 0 23 84 0 0 + 4 e 424 392 etot -7.6693E+01 mv 1 23 163 -180 0 + 4 e 197 412 etot -8.3125E+01 mv 0 23 101 0 0 + 4 e 156 413 etot -8.2933E+01 mv 0 23 59 0 0 + 4 e 106 420 etot -8.2513E+01 mv 0 23 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mv 1 24 85 -32 0 + 4 e 498 362 etot -7.1609E+01 mv 1 24 115 -121 0 + 4 e 77 405 etot -8.5911E+01 mv 0 24 10 0 0 c 10 0.7 0.0 + 4 e 231 375 etot -8.6425E+01 mv 1 24 132 -57 0 + 4 e 95 402 etot -8.9587E+01 mv 0 24 33 0 0 c 33 0.7 0.0 + 4 e 116 406 etot -8.5241E+01 mv 0 24 144 0 0 +## N0 total= 20 close= 11 far= 0 %acc 55.0 +## N1 total= 100 close= 4 far= 4 %acc 8.0 +## N2 total= 100 close= 9 far= 0 %acc 9.0 +## N3 total= 0 close= 0 far= 0 %acc 0.0 +## N4 total= 0 close= 0 far= 0 %acc 0.0 +## N5 total= 0 close= 0 far= 0 %acc 0.0 +## N6 total= 200 close= 26 far= 7 %acc 16.5 +## N7 total= 0 close= 0 far= 0 %acc 0.0 +## N8 total= 0 close= 0 far= 0 %acc 0.0 +## N9 total= 0 close= 0 far= 0 %acc 0.0 +##N10 total= 0 close= 0 far= 0 %acc 0.0 +##N11 total= 0 close= 0 far= 0 %acc 0.0 +##N12 total= 0 close= 0 far= 0 %acc 0.0 +##N13 total= 0 close= 0 far= 0 %acc 0.0 +##N14 total= 0 close= 0 far= 0 %acc 0.0 +##N15 total= 0 close= 0 far= 0 %acc 0.0 +##N16 total= 0 close= 0 far= 0 %acc 0.0 +##N17 total= 0 close= 0 far= 0 %acc 0.0 +##N18 total= 0 close= 0 far= 0 %acc 0.0 + Time for refresh 25 0.55 + make_var : nseed= 20 ntry= 420 + Time for make trial 26 0.09 +Nonsetup time 51.46 sec, Eval/s = 62649.24 +Time for iter 26 2.04 sec, Eval/s = 55437.46 + UPDATING 420 + 4 e 112 416 etot -8.3759E+01 mv 0 24 170 0 0 c 170 1.2 0.0 + 4 e 449 395 etot -8.0977E+01 mv 1 24 59 -100 0 + 4 e 83 414 etot -8.3214E+01 mv 0 24 196 0 0 + 4 e 119 412 etot -8.5048E+01 mv 0 24 87 0 0 c 87 0.6 0.0 + 4 e 122 408 etot -8.4864E+01 mv 0 24 141 0 0 + 4 e 424 385 etot -8.1254E+01 mv 1 24 63 -25 0 + 4 e 112 411 etot -8.3328E+01 mv 0 24 72 0 0 + 4 e 177 410 etot -8.4182E+01 mv 0 24 31 0 0 + 4 e 439 396 etot -8.5237E+01 mv 1 24 18 -53 0 + 4 e 536 399 etot -8.4916E+01 mv 1 24 18 -177 0 + 4 e 102 415 etot -8.6425E+01 mv 0 24 132 0 0 + 4 e 84 409 etot -8.4250E+01 mv 0 24 84 0 0 c 84 0.4 0.0 + 4 e 338 392 etot -7.7059E+01 mv 1 24 59 -20 0 + -1 e 1 4 etot 1.3528E+20 mv 6 25 176 141 0 + 4 e 549 368 etot -8.1985E+01 mv 1 24 196 -173 0 + 4 e 380 413 etot -8.4501E+01 mv 0 24 115 0 0 + 4 e 482 383 etot -8.8030E+01 mv 1 24 63 -141 0 + 4 e 206 400 etot -8.5097E+01 mv 1 24 18 -8 0 + 4 e 573 398 etot -8.2184E+01 mv 1 24 18 -126 0 + 4 e 126 420 etot -8.5240E+01 mv 0 24 18 0 0 + 4 e 624 350 etot -7.4392E+01 mv 1 24 31 -1 0 + 4 e 274 394 etot -8.1638E+01 mv 1 24 59 -74 0 + 4 e 335 389 etot -7.9962E+01 mv 1 24 85 -47 0 + 4 e 263 397 etot -8.5239E+01 mv 1 24 18 -44 0 + 4 e 119 418 etot -8.3202E+01 mv 0 24 85 0 0 c 85 0.5 0.0 + 4 e 374 382 etot -8.5966E+01 mv 1 24 63 -85 0 + 4 e 331 373 etot -8.6424E+01 mv 1 24 132 -187 0 + 4 e 219 391 etot -8.3049E+01 mv 1 24 59 -49 0 c 59 2.4 0.0 + 4 e 177 403 etot -8.9027E+01 mv 0 24 101 0 0 c 101 2.7 0.0 + 4 e 105 419 etot -8.3049E+01 mv 0 24 59 0 0 c 59 1.8 0.0 + 4 e 432 377 etot -8.1987E+01 mv 1 24 170 -94 0 + 4 e 116 417 etot -8.6919E+01 mv 0 24 63 0 0 + -1 e 1 28 etot 1.3528E+20 mv 6 25 92 154 0 + -1 e 1 31 etot 1.3528E+20 mv 6 25 132 151 0 + -1 e 1 33 etot 1.3528E+20 mv 6 25 132 72 0 + -1 e 1 35 etot 1.3528E+20 mv 6 25 132 192 0 + -1 e 1 1 etot 1.3528E+20 mv 6 25 176 47 0 + 4 e 49 29 etot -8.2146E+01 mv 6 25 92 30 0 c 30 0.1 0.0 + 4 e 62 11 etot -8.3870E+01 mv 6 25 150 24 0 c 24 0.2 0.0 + 4 e 130 17 etot -8.3826E+01 mv 6 25 150 189 0 c 189 176.9 2.6 + 4 e 132 16 etot -8.5034E+01 mv 6 25 150 92 0 + 4 e 184 25 etot -7.9292E+01 mv 6 25 92 177 0 + -1 e 1 42 etot 1.3528E+20 mv 6 25 31 97 0 + 4 e 199 2 etot -8.7531E+01 mv 6 25 176 31 0 + 4 e 183 18 etot -8.7772E+01 mv 6 25 150 90 0 + 4 e 95 22 etot -8.5443E+01 mv 6 25 92 28 0 c 28 0.7 0.0 + 4 e 196 27 etot -8.9106E+01 mv 6 25 92 159 0 + 4 e 185 15 etot -7.1030E+01 mv 6 25 150 42 0 + -1 e 1 48 etot 1.3528E+20 mv 6 25 31 181 0 + -1 e 1 49 etot 1.3528E+20 mv 6 25 31 196 0 + 4 e 168 38 etot -7.7300E+01 mv 6 25 132 139 0 + 4 e 212 34 etot -8.6630E+01 mv 6 25 132 185 0 + 4 e 267 20 etot -7.7851E+01 mv 6 25 150 132 0 + 4 e 251 13 etot -7.7921E+01 mv 6 25 150 116 0 + 4 e 272 7 etot -8.3968E+01 mv 6 25 176 140 0 + 4 e 297 5 etot -8.3659E+01 mv 6 25 176 61 0 + 4 e 325 8 etot -7.7643E+01 mv 6 25 176 30 0 + -1 e 1 57 etot 1.3528E+20 mv 6 25 38 5 0 + 4 e 289 9 etot -8.3841E+01 mv 6 25 176 170 0 + 4 e 419 3 etot -8.1217E+01 mv 6 25 176 68 0 + 4 e 327 32 etot -8.6731E+01 mv 6 25 132 5 0 c 132 3.8 0.0 + 4 e 342 10 etot -8.2213E+01 mv 6 25 176 47 0 + 4 e 383 36 etot -8.6243E+01 mv 6 25 132 68 0 + 4 e 321 39 etot -7.3983E+01 mv 6 25 132 199 0 + 4 e 82 52 etot -8.6439E+01 mv 6 25 38 111 0 c 111 0.3 0.0 + 4 e 426 6 etot -7.8008E+01 mv 6 25 176 43 0 + -1 e 1 66 etot 1.3528E+20 mv 6 25 125 135 0 + 4 e 227 47 etot -8.2793E+01 mv 6 25 31 169 0 + 4 e 440 14 etot -8.0674E+01 mv 6 25 150 68 0 + 4 e 433 26 etot -7.8840E+01 mv 6 25 92 63 0 + 4 e 178 55 etot -8.5371E+01 mv 6 25 38 124 0 + 4 e 159 56 etot -8.5370E+01 mv 6 25 38 26 0 + 4 e 312 40 etot -7.5910E+01 mv 6 25 132 45 0 + -1 e 1 73 etot 1.3528E+20 mv 6 25 144 167 0 + 4 e 197 53 etot -8.4763E+01 mv 6 25 38 90 0 + 4 e 274 45 etot -7.7148E+01 mv 6 25 31 155 0 + 4 e 309 41 etot -8.6088E+01 mv 6 25 31 91 0 c 31 2.2 0.0 + 4 e 477 19 etot -8.4937E+01 mv 6 25 150 51 0 + 4 e 99 61 etot -8.2338E+01 mv 6 25 125 50 0 c 50 2.0 0.0 + -1 e 1 79 etot 1.3528E+20 mv 6 25 144 50 0 + 4 e 274 50 etot -7.8580E+01 mv 6 25 31 90 0 + 4 e 303 43 etot -7.8978E+01 mv 6 25 31 14 0 + 4 e 632 37 etot -8.3886E+01 mv 6 25 132 124 0 + 4 e 263 54 etot -7.9233E+01 mv 6 25 38 22 0 + 4 e 198 59 etot -8.2495E+01 mv 6 25 38 61 0 + 4 e 279 51 etot -8.6389E+01 mv 6 25 38 93 0 + 4 e 538 12 etot -8.4706E+01 mv 6 25 150 69 0 c 51 265.0 2.4 + 4 e 345 60 etot -7.9315E+01 mv 6 25 38 181 0 + 4 e 184 72 etot -7.4503E+01 mv 6 25 144 50 0 + 4 e 241 58 etot -8.3926E+01 mv 6 25 38 192 0 + 4 e 601 44 etot -8.3297E+01 mv 6 25 31 117 0 + 4 e 298 67 etot -8.5302E+01 mv 6 25 125 173 0 + 4 e 131 80 etot -7.7761E+01 mv 6 25 144 5 0 + 4 e 262 74 etot -8.0686E+01 mv 6 25 144 87 0 + 4 e 312 21 etot -8.7194E+01 mv 6 25 92 135 0 + 4 e 83 88 etot -8.2817E+01 mv 6 25 41 75 0 c 75 0.2 0.0 + 4 e 268 76 etot 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351 99 etot -8.0193E+01 mv 6 25 69 26 0 + 4 e 436 82 etot -7.5057E+01 mv 6 25 41 25 0 + 4 e 397 98 etot -8.2319E+01 mv 6 25 69 174 0 f 137 296.4 1.2 + 4 e 239 100 etot -7.5693E+01 mv 6 25 69 167 0 + 4 e 282 112 etot -8.6581E+01 mv 6 25 63 148 0 c 148 66.0 0.4 + 4 e 117 130 etot -8.4337E+01 mv 6 25 6 11 0 c 11 1.1 0.0 + 4 e 194 124 etot -8.6567E+01 mv 6 25 6 67 0 + 4 e 713 83 etot -8.8188E+01 mv 6 25 41 71 0 c 92 146.1 1.0 + 4 e 193 95 etot -7.3566E+01 mv 6 25 69 31 0 + 4 e 239 122 etot -8.7530E+01 mv 6 25 6 97 0 c 148 187.1 0.9 + 4 e 255 123 etot -7.6773E+01 mv 6 25 6 179 0 + 4 e 223 125 etot -7.0998E+01 mv 6 25 6 99 0 + 4 e 185 132 etot -8.6599E+01 mv 6 25 20 27 0 + 4 e 529 23 etot -7.7631E+01 mv 6 25 92 63 0 + 4 e 180 134 etot -8.6599E+01 mv 6 25 20 17 0 c 20 1.4 0.0 + 4 e 259 126 etot -8.7530E+01 mv 6 25 6 98 0 c 148 5.7 0.0 + 4 e 324 120 etot -8.8941E+01 mv 6 25 63 42 0 + 4 e 186 136 etot -8.5145E+01 mv 6 25 20 64 0 + 4 e 387 117 etot -7.4623E+01 mv 6 25 63 135 0 + 4 e 170 141 etot -8.2011E+01 mv 6 25 78 14 0 + 4 e 401 116 etot -8.1345E+01 mv 6 25 63 194 0 + 4 e 151 140 etot -7.5176E+01 mv 6 25 20 180 0 + 4 e 29 152 etot -8.1229E+01 mv 6 25 76 19 0 c 19 0.1 0.0 + -1 e 1 161 etot 1.3528E+20 mv 6 25 185 121 0 + 4 e 190 144 etot -8.5379E+01 mv 6 25 78 184 0 c 78 1.2 0.0 + 4 e 182 142 etot -8.5379E+01 mv 6 25 78 127 0 c 78 0.5 0.0 + 4 e 523 86 etot -8.2853E+01 mv 6 25 41 176 0 + -1 e 1 165 etot 1.3528E+20 mv 6 25 185 10 0 + 4 e 537 119 etot -8.8149E+01 mv 6 25 63 101 0 + 4 e 513 46 etot -8.4157E+01 mv 6 25 31 131 0 f 157 350.7 3.0 + 4 e 182 158 etot -6.8743E+01 mv 6 25 76 71 0 + -1 e 1 169 etot 1.3528E+20 mv 6 25 185 68 0 + 4 e 363 139 etot -8.5047E+01 mv 6 25 20 87 0 + 4 e 238 138 etot -8.8941E+01 mv 6 25 20 42 0 + 4 e 277 150 etot -7.6576E+01 mv 6 25 78 101 0 + 4 e 224 154 etot -8.2316E+01 mv 6 25 76 109 0 + -1 e 1 174 etot 1.3528E+20 mv 6 25 96 109 0 + 4 e 421 137 etot -7.6552E+01 mv 6 25 20 197 0 + 4 e 200 159 etot -8.0691E+01 mv 6 25 76 55 0 + 4 e 449 115 etot 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197 etot -8.2889E+01 mv 6 25 155 150 0 + 4 e 208 201 etot -8.3968E+01 mv 2 25 176 -61 0 + 4 e 558 163 etot -8.1279E+01 mv 6 25 185 31 0 + 4 e 377 189 etot -8.2605E+01 mv 6 25 1 190 0 + 4 e 386 185 etot -8.0703E+01 mv 6 25 1 138 0 + 4 e 150 206 etot -8.7772E+01 mv 2 25 150 -22 0 + 4 e 288 178 etot -8.2991E+01 mv 6 25 96 74 0 + 4 e 444 176 etot -8.2098E+01 mv 6 25 96 60 0 + 4 e 347 172 etot -8.0200E+01 mv 6 25 96 65 0 + -1 e 1 225 etot 1.3528E+20 mv 2 25 31 -34 0 + 4 e 527 171 etot -8.2227E+01 mv 6 25 96 66 0 + 4 e 427 192 etot -7.9308E+01 mv 6 25 155 93 0 + 4 e 240 199 etot -8.6054E+01 mv 6 25 155 131 0 + 4 e 153 215 etot -8.7196E+01 mv 2 25 92 -95 0 + 4 e 447 195 etot -8.1520E+01 mv 6 25 155 70 0 + 4 e 140 213 etot -6.9789E+01 mv 2 25 92 -152 0 + 4 e 177 221 etot -8.4330E+01 mv 2 25 31 -74 0 + -1 e 1 233 etot 1.3528E+20 mv 2 25 125 -76 0 + 4 e 256 214 etot -8.7766E+01 mv 2 25 92 -16 0 + 4 e 566 191 etot -8.3446E+01 mv 6 25 155 180 0 + 4 e 130 223 etot -5.6030E+01 mv 2 25 31 -147 0 + 4 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-7.9736E+01 mv 2 25 125 -159 0 + 4 e 461 218 etot -7.4734E+01 mv 2 25 132 -80 0 + 4 e 482 216 etot -7.8253E+01 mv 2 25 132 -20 0 + 4 e 229 234 etot -7.7328E+01 mv 2 25 125 -56 0 + 4 e 512 217 etot -8.0053E+01 mv 2 25 132 -57 0 + 4 e 167 246 etot -8.2816E+01 mv 2 25 69 -79 0 + 4 e 290 236 etot -8.3360E+01 mv 2 25 144 -6 0 c 2 66.4 0.6 + 4 e 370 231 etot -8.7513E+01 mv 2 25 125 -62 0 + 4 e 466 224 etot -8.4688E+01 mv 2 25 31 -152 0 + 4 e 624 209 etot -7.5669E+01 mv 2 25 150 -38 0 + 4 e 411 228 etot -7.7106E+01 mv 2 25 38 -190 0 + -1 e 1 267 etot 1.3528E+20 mv 2 25 20 -142 0 + 4 e 186 239 etot -6.7706E+01 mv 2 25 144 -88 0 + 4 e 233 237 etot -6.6501E+01 mv 2 25 144 -70 0 + 4 e 476 207 etot -6.7911E+01 mv 2 25 150 -130 0 + -1 e 1 270 etot 6.6430E+28 mv 2 25 20 -60 0 + 4 e 325 226 etot -8.6346E+01 mv 2 25 38 -13 0 + 4 e 544 222 etot -7.4091E+01 mv 2 25 31 -110 0 + 4 e 268 244 etot -7.6686E+01 mv 2 25 41 -52 0 + 4 e 219 242 etot -7.2481E+01 mv 2 25 41 -58 0 + 4 e 180 250 etot -8.4363E+01 mv 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-136 0 + 4 e 175 276 etot -8.4066E+01 mv 2 25 76 -73 0 c 76 2.0 0.0 + 4 e 105 290 etot -8.2943E+01 mv 2 25 96 -159 0 c 96 2.2 0.0 + 4 e 359 248 etot -7.4557E+01 mv 2 25 69 -82 0 + 4 e 366 263 etot -8.3541E+01 mv 2 25 6 -193 0 + 4 e 445 258 etot -8.8312E+01 mv 2 25 63 -31 0 + 4 e 418 249 etot -6.6396E+01 mv 2 25 69 -162 0 + 4 e 424 251 etot -8.3213E+01 mv 2 25 14 -9 0 + 4 e 298 272 etot -7.5631E+01 mv 2 25 78 -200 0 + 4 e 231 291 etot -8.1273E+01 mv 2 25 1 -185 0 + 4 e 544 268 etot -7.6392E+01 mv 2 25 20 -14 0 + 4 e 332 284 etot -7.8247E+01 mv 2 25 185 -151 0 + 4 e 341 286 etot -8.1332E+01 mv 2 25 96 -152 0 + 4 e 304 278 etot -8.4066E+01 mv 2 25 76 -51 0 + 4 e 163 298 etot -5.8335E+01 mv 2 25 155 -28 0 + 4 e 281 294 etot -7.5479E+01 mv 2 25 1 -141 0 + -1 e 1 311 etot 1.3528E+20 mv 1 25 92 -31 0 + 4 e 219 299 etot -8.2889E+01 mv 2 25 155 -66 0 + -1 e 1 314 etot 1.3528E+20 mv 1 25 92 -41 0 + 4 e 443 280 etot -8.1765E+01 mv 2 25 76 -141 0 f 19 363.8 0.5 + -1 e 1 316 etot 1.3528E+20 mv 1 25 132 -130 0 + 4 e 428 281 etot -8.2789E+01 mv 2 25 185 -140 0 f 200 341.0 1.5 + 4 e 455 279 etot -8.4065E+01 mv 2 25 76 -84 0 + 4 e 359 288 etot -8.2838E+01 mv 2 25 96 -160 0 + 4 e 381 271 etot -7.6514E+01 mv 2 25 78 -112 0 + 4 e 371 287 etot -7.8524E+01 mv 2 25 96 -176 0 + 4 e 193 295 etot -8.2917E+01 mv 2 25 1 -53 0 + 4 e 552 247 etot -7.7536E+01 mv 2 25 69 -121 0 + 4 e 290 301 etot -8.3968E+01 mv 1 25 176 -165 0 + 4 e 465 283 etot -7.5569E+01 mv 2 25 185 -104 0 + 4 e 371 293 etot -6.4919E+01 mv 2 25 1 -113 0 + 4 e 326 297 etot -7.2682E+01 mv 2 25 155 -30 0 + 4 e 195 306 etot -8.6386E+01 mv 1 25 150 -22 0 + 4 e 430 292 etot -5.8006E+01 mv 2 25 1 -121 0 + 4 e 367 296 etot -8.2888E+01 mv 2 25 155 -188 0 + 4 e 159 312 etot -7.8138E+01 mv 1 25 92 -170 0 + -1 e 1 332 etot 1.3528E+20 mv 1 25 125 -106 0 + 4 e 174 320 etot -8.6732E+01 mv 1 25 132 -135 0 c 132 2.3 0.0 + 4 e 558 289 etot -7.7527E+01 mv 2 25 96 -34 0 + 4 e 429 302 etot -7.2767E+01 mv 1 25 176 -194 0 + 4 e 241 315 etot -8.7195E+01 mv 1 25 92 -26 0 + 4 e 240 305 etot -8.1334E+01 mv 1 25 176 -10 0 + 4 e 166 326 etot -8.6378E+01 mv 1 25 38 -28 0 c 38 22.9 0.4 + 4 e 183 325 etot -8.4514E+01 mv 1 25 31 -138 0 + 4 e 263 303 etot -7.0840E+01 mv 1 25 176 -142 0 + 4 e 209 327 etot -8.6000E+01 mv 1 25 38 -137 0 + 4 e 335 308 etot -8.4223E+01 mv 1 25 150 -93 0 + -1 e 1 343 etot 1.3528E+20 mv 1 25 41 -191 0 + 4 e 156 330 etot -8.6000E+01 mv 1 25 38 -13 0 + 4 e 590 273 etot -7.8197E+01 mv 2 25 78 -1 0 + 4 e 612 269 etot -6.8745E+01 mv 2 25 20 -63 0 + 4 e 495 282 etot -7.0896E+01 mv 2 25 185 -111 0 + 4 e 243 310 etot -8.5033E+01 mv 1 25 150 -11 0 + 4 e 342 322 etot -8.5069E+01 mv 1 25 31 -52 0 + 4 e 156 336 etot -7.0047E+01 mv 1 25 144 -80 0 + 4 e 365 319 etot -7.6654E+01 mv 1 25 132 -191 0 + 4 e 233 331 etot -8.7514E+01 mv 1 25 125 -85 0 c 125 5.1 0.0 + 4 e 224 324 etot -8.6088E+01 mv 1 25 31 -17 0 c 31 1.7 0.0 + 4 e 398 318 etot -8.2069E+01 mv 1 25 132 -41 0 + 4 e 458 307 etot -7.6622E+01 mv 1 25 150 -50 0 + 4 e 177 337 etot -6.6339E+01 mv 1 25 144 -45 0 + 4 e 421 317 etot -6.8719E+01 mv 1 25 132 -195 0 + -1 e 1 358 etot 5.5627E+20 mv 1 25 63 -189 0 + 4 e 274 323 etot -8.6088E+01 mv 1 25 31 -21 0 + 4 e 336 328 etot -7.9373E+01 mv 1 25 38 -35 0 + 4 e 383 304 etot -8.3966E+01 mv 1 25 176 -122 0 + -1 e 1 362 etot 1.3528E+20 mv 1 25 6 -51 0 + 4 e 324 329 etot -8.1603E+01 mv 1 25 38 -156 0 + -1 e 1 364 etot 1.3528E+20 mv 1 25 6 -37 0 + 4 e 268 334 etot -8.7514E+01 mv 1 25 125 -144 0 + 4 e 320 313 etot -8.1416E+01 mv 1 25 92 -129 0 f 74 280.5 0.2 + 4 e 487 300 etot -8.3970E+01 mv 2 25 155 -141 0 c 155 178.8 1.1 + 4 e 330 333 etot -8.0798E+01 mv 1 25 125 -168 0 + 4 e 543 309 etot -7.6082E+01 mv 1 25 150 -122 0 + -1 e 1 370 etot 1.3528E+20 mv 1 25 20 -19 0 + 4 e 212 345 etot -8.3318E+01 mv 1 25 41 -127 0 + 4 e 247 344 etot -8.4787E+01 mv 1 25 41 -28 0 + 4 e 204 341 etot -8.5610E+01 mv 1 25 41 -28 0 + 4 e 190 351 etot -8.5431E+01 mv 1 25 14 -181 0 c 14 1.1 0.0 + 4 e 155 361 etot -8.6567E+01 mv 1 25 6 -126 0 + 4 e 239 350 etot -8.3198E+01 mv 1 25 69 -153 0 + 4 e 421 335 etot -7.9735E+01 mv 1 25 125 -37 0 + 4 e 212 355 etot -8.5431E+01 mv 1 25 14 -134 0 + 4 e 219 356 etot -8.8314E+01 mv 1 25 63 -71 0 c 63 1.6 0.0 + 4 e 435 321 etot -8.3544E+01 mv 1 25 31 -34 0 + 4 e 174 369 etot -7.7606E+01 mv 1 25 20 -101 0 + 4 e 219 365 etot -8.5144E+01 mv 1 25 6 -187 0 + 4 e 181 371 etot -8.5379E+01 mv 1 25 78 -56 0 + 4 e 471 339 etot -7.4046E+01 mv 1 25 144 -89 0 + 4 e 462 342 etot -7.3221E+01 mv 1 25 41 -50 0 + 4 e 215 360 etot -8.8314E+01 mv 1 25 63 -55 0 c 63 0.8 0.0 + 4 e 349 357 etot -8.8560E+01 mv 1 25 63 -155 0 c 63 62.8 0.2 + 4 e 403 353 etot -7.3024E+01 mv 1 25 14 -145 0 + 4 e 302 347 etot -8.4586E+01 mv 1 25 69 -30 0 c 69 72.7 0.2 + 4 e 328 346 etot -8.4363E+01 mv 1 25 69 -139 0 + 4 e 332 366 etot -7.8779E+01 mv 1 25 20 -113 0 + 4 e 382 359 etot -8.8313E+01 mv 1 25 63 -192 0 + 4 e 247 376 etot -8.3442E+01 mv 1 25 76 -4 0 + 4 e 356 348 etot -8.0005E+01 mv 1 25 69 -171 0 + 4 e 301 373 etot -7.1838E+01 mv 1 25 78 -177 0 + 4 e 313 354 etot -8.5431E+01 mv 1 25 14 -44 0 + 4 e 287 375 etot -8.2702E+01 mv 1 25 78 -80 0 + 4 e 280 363 etot -8.3659E+01 mv 1 25 6 -140 0 + 4 e 630 340 etot -8.2891E+01 mv 1 25 144 -81 0 + 4 e 359 349 etot -8.0003E+01 mv 1 25 69 -162 0 + 4 e 517 352 etot -8.4864E+01 mv 1 25 14 -164 0 c 40 217.0 1.5 + 4 e 298 379 etot -8.2873E+01 mv 1 25 76 -148 0 + 4 e 409 372 etot -8.0472E+01 mv 1 25 78 -180 0 + 4 e 321 378 etot -8.1042E+01 mv 1 25 76 -68 0 + 4 e 215 386 etot -8.2943E+01 mv 1 25 96 -93 0 + 4 e 58 402 etot -8.7772E+01 mv 0 25 150 0 0 c 150 0.3 0.0 + 4 e 222 381 etot -8.3756E+01 mv 1 25 185 -6 0 + 4 e 289 384 etot -7.1379E+01 mv 1 25 185 -167 0 + 4 e 316 383 etot -8.4023E+01 mv 1 25 185 -73 0 + 4 e 419 377 etot -7.1080E+01 mv 1 25 76 -186 0 + 4 e 91 401 etot -8.3968E+01 mv 0 25 176 0 0 c 176 0.4 0.0 + 4 e 523 338 etot -8.5858E+01 mv 1 25 144 -133 0 + 4 e 306 385 etot -8.4023E+01 mv 1 25 185 -194 0 + 4 e 113 403 etot -8.7196E+01 mv 0 25 92 0 0 + 4 e 72 406 etot -8.6000E+01 mv 0 25 38 0 0 + 4 e 408 380 etot -8.3545E+01 mv 1 25 76 -152 0 + 4 e 28 413 etot -8.6567E+01 mv 0 25 6 0 0 c 6 0.0 0.0 + 4 e 280 389 etot -7.7521E+01 mv 1 25 96 -19 0 + 4 e 342 374 etot -8.4182E+01 mv 1 25 78 -171 0 +## N0 total= 19 close= 9 far= 0 %acc 47.4 +## N1 total= 101 close= 11 far= 1 %acc 11.9 +## N2 total= 100 close= 8 far= 3 %acc 11.0 +## N3 total= 0 close= 0 far= 0 %acc 0.0 +## N4 total= 0 close= 0 far= 0 %acc 0.0 +## N5 total= 0 close= 0 far= 0 %acc 0.0 +## N6 total= 200 close= 32 far= 5 %acc 18.5 +## N7 total= 0 close= 0 far= 0 %acc 0.0 +## N8 total= 0 close= 0 far= 0 %acc 0.0 +## N9 total= 0 close= 0 far= 0 %acc 0.0 +##N10 total= 0 close= 0 far= 0 %acc 0.0 +##N11 total= 0 close= 0 far= 0 %acc 0.0 +##N12 total= 0 close= 0 far= 0 %acc 0.0 +##N13 total= 0 close= 0 far= 0 %acc 0.0 +##N14 total= 0 close= 0 far= 0 %acc 0.0 +##N15 total= 0 close= 0 far= 0 %acc 0.0 +##N16 total= 0 close= 0 far= 0 %acc 0.0 +##N17 total= 0 close= 0 far= 0 %acc 0.0 +##N18 total= 0 close= 0 far= 0 %acc 0.0 + Time for refresh 26 1.62 + make_var : nseed= 20 ntry= 420 + Time for make trial 27 0.97 +Nonsetup time 56.33 sec, Eval/s = 59401.36 +Time for iter 27 4.87 sec, Eval/s = 25091.49 + UPDATING 420 + 4 e 487 382 etot -7.8363E+01 mv 1 25 185 -101 0 + 4 e 111 417 etot -8.4023E+01 mv 0 25 185 0 0 + 4 e 345 394 etot -7.6678E+01 mv 1 25 1 -109 0 + 4 e 121 410 etot -8.4364E+01 mv 0 25 69 0 0 + 4 e 93 411 etot -8.5431E+01 mv 0 25 14 0 0 c 14 1.4 0.0 + 4 e 492 398 etot -8.2486E+01 mv 1 25 155 -195 0 f 165 298.4 1.2 + 4 e 297 393 etot -6.3076E+01 mv 1 25 1 -111 0 + 4 e 133 416 etot -8.4066E+01 mv 0 25 76 0 0 c 76 0.8 0.0 + 4 e 204 400 etot -6.9614E+01 mv 1 25 155 -28 0 + 4 e 144 407 etot -8.7515E+01 mv 0 25 125 0 0 c 125 2.5 0.0 + 4 e 91 415 etot -8.5379E+01 mv 0 25 78 0 0 + 4 e 614 396 etot -7.9845E+01 mv 1 25 155 -131 0 + 4 e 72 419 etot -8.2918E+01 mv 0 25 1 0 0 c 1 0.8 0.0 + 4 e 125 409 etot -8.5610E+01 mv 0 25 41 0 0 c 41 1.3 0.0 + 4 e 152 405 etot -8.6089E+01 mv 0 25 31 0 0 c 31 1.2 0.0 + 4 e 301 388 etot -8.2942E+01 mv 1 25 96 -97 0 + 4 e 82 414 etot -8.6599E+01 mv 0 25 20 0 0 c 20 0.9 0.0 + 4 e 547 392 etot -7.3366E+01 mv 1 25 1 -147 0 + 4 e 165 404 etot -8.6732E+01 mv 0 25 132 0 0 + 4 e 245 387 etot -7.9690E+01 mv 1 25 96 -37 0 + 4 e 139 412 etot -8.8314E+01 mv 0 25 63 0 0 + 4 e 409 367 etot -7.9564E+01 mv 1 25 20 -175 0 + 4 e 371 391 etot -7.2500E+01 mv 1 25 1 -96 0 + 4 e 239 397 etot -6.6097E+01 mv 1 25 155 -34 0 + -1 e 1 17 etot 1.3528E+20 mv 6 26 17 102 0 + 4 e 129 418 etot -8.2943E+01 mv 0 25 96 0 0 + 4 e 97 408 etot -8.5859E+01 mv 0 25 144 0 0 c 144 1.0 0.0 + 4 e 460 368 etot -7.2715E+01 mv 1 25 20 -126 0 + 4 e 336 390 etot -8.2942E+01 mv 1 25 96 -157 0 + 4 e 216 395 etot -8.2917E+01 mv 1 25 1 -53 0 + 4 e 117 420 etot -8.2890E+01 mv 0 25 155 0 0 + 4 e 236 399 etot -7.3692E+01 mv 1 25 155 -193 0 + 8 e 25 1 etot -6.3995E+01 mv 6 26 145 106 0 + -1 e 1 33 etot 1.3528E+20 mv 6 26 109 185 0 + -1 e 1 34 etot 1.3528E+20 mv 6 26 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etot -6.7055E+01 mv 1 26 78 -187 0 + 4 e 306 332 etot -7.6314E+01 mv 1 26 15 -96 0 + 4 e 194 355 etot -8.2486E+01 mv 1 26 82 -108 0 + 4 e 151 361 etot -8.3723E+01 mv 1 26 72 -183 0 + 4 e 328 345 etot -8.3088E+01 mv 1 26 185 -129 0 + 4 e 232 341 etot -8.4558E+01 mv 1 26 185 -172 0 c 185 2.3 0.0 + 4 e 308 348 etot -7.6103E+01 mv 1 26 189 -49 0 + 4 e 300 351 etot -8.2236E+01 mv 1 26 82 -126 0 + 4 e 310 349 etot -8.3826E+01 mv 1 26 189 -21 0 + 4 e 340 336 etot -7.6932E+01 mv 1 26 78 -153 0 + 4 e 179 363 etot -7.9905E+01 mv 1 26 72 -160 0 + 4 e 300 358 etot -8.5444E+01 mv 1 26 141 -24 0 c 141 3.6 0.0 + 4 e 287 343 etot -7.4263E+01 mv 1 26 185 -102 0 + 4 e 213 362 etot -7.7485E+01 mv 1 26 72 -66 0 + 4 e 626 333 etot -8.3567E+01 mv 1 26 15 -183 0 c 66 74.1 0.4 + 4 e 225 364 etot -8.3723E+01 mv 1 26 72 -87 0 + 4 e 363 339 etot -7.1929E+01 mv 1 26 78 -62 0 + 4 e 444 347 etot -8.1843E+01 mv 1 26 189 -4 0 + 4 e 416 352 etot -8.1045E+01 mv 1 26 82 -52 0 + 4 e 373 354 etot -8.1715E+01 mv 1 26 82 -29 0 + 4 e 332 342 etot -8.2814E+01 mv 1 26 185 -170 0 + 4 e 187 374 etot -8.1768E+01 mv 1 26 196 -90 0 + -1 e 1 392 etot 1.3528E+20 mv 1 26 134 -144 0 + 4 e 181 371 etot -8.3273E+01 mv 1 26 196 -136 0 + 4 e 308 370 etot -8.2767E+01 mv 1 26 2 -142 0 + 4 e 267 373 etot -8.1817E+01 mv 1 26 196 -149 0 + 4 e 248 375 etot -8.3272E+01 mv 1 26 196 -40 0 + 4 e 429 360 etot -8.0933E+01 mv 1 26 141 -11 0 + 4 e 331 357 etot -8.1070E+01 mv 1 26 141 -137 0 + 4 e 211 372 etot -7.9063E+01 mv 1 26 196 -110 0 + 4 e 333 368 etot -8.3360E+01 mv 1 26 2 -119 0 + 4 e 204 384 etot -8.0093E+01 mv 1 26 120 -194 0 + 4 e 404 369 etot -7.6410E+01 mv 1 26 2 -159 0 + 4 e 262 381 etot -7.1075E+01 mv 1 26 120 -28 0 + 4 e 118 397 etot -7.4883E+01 mv 1 26 112 -184 0 + 4 e 95 401 etot -8.1442E+01 mv 0 26 145 0 0 + 4 e 83 402 etot -9.2233E+01 mv 0 26 17 0 0 c 17 1.1 0.0 + 4 e 610 382 etot -8.3089E+01 mv 1 26 120 -187 0 c 120 88.8 0.2 + 4 e 447 379 etot -7.8463E+01 mv 1 26 114 -29 0 + 4 e 128 406 etot -8.4710E+01 mv 0 26 51 0 0 + 4 e 285 395 etot -8.2734E+01 mv 1 26 134 -86 0 + 4 e 115 404 etot -8.4613E+01 mv 0 26 109 0 0 c 109 1.0 0.0 + 4 e 389 386 etot -8.1757E+01 mv 1 26 168 -6 0 f 124 358.9 0.0 + 4 e 387 389 etot -7.3908E+01 mv 1 26 168 -37 0 + 4 e 127 403 etot -8.8190E+01 mv 0 26 92 0 0 + 4 e 152 405 etot -8.3973E+01 mv 0 26 155 0 0 c 16 110.1 1.8 + 4 e 488 367 etot -7.6734E+01 mv 1 26 2 -108 0 + 4 e 94 407 etot -8.3922E+01 mv 0 26 15 0 0 c 66 178.3 0.4 + 4 e 216 396 etot -7.7936E+01 mv 1 26 112 -28 0 + 4 e 492 377 etot -8.3239E+01 mv 1 26 114 -17 0 +## N0 total= 22 close= 12 far= 0 %acc 54.5 +## N1 total= 98 close= 8 far= 5 %acc 13.3 +## N2 total= 100 close= 7 far= 5 %acc 12.0 +## N3 total= 0 close= 0 far= 0 %acc 0.0 +## N4 total= 0 close= 0 far= 0 %acc 0.0 +## N5 total= 0 close= 0 far= 0 %acc 0.0 +## N6 total= 200 close= 34 far= 9 %acc 21.5 +## N7 total= 0 close= 0 far= 0 %acc 0.0 +## N8 total= 0 close= 0 far= 0 %acc 0.0 +## N9 total= 0 close= 0 far= 0 %acc 0.0 +##N10 total= 0 close= 0 far= 0 %acc 0.0 +##N11 total= 0 close= 0 far= 0 %acc 0.0 +##N12 total= 0 close= 0 far= 0 %acc 0.0 +##N13 total= 0 close= 0 far= 0 %acc 0.0 +##N14 total= 0 close= 0 far= 0 %acc 0.0 +##N15 total= 0 close= 0 far= 0 %acc 0.0 +##N16 total= 0 close= 0 far= 0 %acc 0.0 +##N17 total= 0 close= 0 far= 0 %acc 0.0 +##N18 total= 0 close= 0 far= 0 %acc 0.0 + Time for refresh 27 1.50 + make_var : nseed= 20 ntry= 420 + Time for make trial 28 0.57 +Nonsetup time 60.25 sec, Eval/s = 57467.60 +Time for iter 28 3.92 sec, Eval/s = 29693.96 + UPDATING 420 + 4 e 83 408 etot -8.5541E+01 mv 0 26 78 0 0 c 78 1.2 0.0 + 4 e 121 409 etot -8.4558E+01 mv 0 26 185 0 0 c 185 1.0 0.0 + 4 e 51 410 etot -8.3826E+01 mv 0 26 189 0 0 c 189 0.5 0.0 + 4 e 81 411 etot -8.4288E+01 mv 0 26 82 0 0 + 4 e 112 412 etot -8.5445E+01 mv 0 26 141 0 0 c 141 1.0 0.0 + 4 e 90 413 etot -8.3723E+01 mv 0 26 72 0 0 c 72 0.7 0.0 + 4 e 160 414 etot -8.3361E+01 mv 0 26 2 0 0 + 4 e 73 415 etot -8.3273E+01 mv 0 26 196 0 0 + 4 e 156 416 etot -8.3241E+01 mv 0 26 114 0 0 + 4 e 119 417 etot -8.2928E+01 mv 0 26 120 0 0 + 4 e 127 418 etot -8.2879E+01 mv 0 26 168 0 0 + 4 e 173 419 etot -8.2809E+01 mv 0 26 134 0 0 c 134 1.6 0.0 + 4 e 140 420 etot -8.2687E+01 mv 0 26 112 0 0 c 112 1.3 0.0 + 4 e 457 378 etot -7.4322E+01 mv 1 26 114 -176 0 + 4 e 357 398 etot -8.2425E+01 mv 1 26 112 -50 0 + 4 e 471 385 etot -8.2938E+01 mv 1 26 120 -179 0 + 4 e 354 393 etot -8.2335E+01 mv 1 26 134 -28 0 + -1 e 1 8 etot 1.3528E+20 mv 6 27 27 96 0 + 4 e 393 388 etot -7.7973E+01 mv 1 26 168 -114 0 + 4 e 536 390 etot -8.4810E+01 mv 1 26 168 -186 0 c 199 202.4 0.6 + 4 e 275 400 etot -8.3145E+01 mv 1 26 112 -5 0 c 112 89.4 0.5 + 4 e 451 380 etot -7.8378E+01 mv 1 26 114 -161 0 + 4 e 470 356 etot -8.5443E+01 mv 1 26 141 -144 0 + 4 e 267 391 etot -8.2809E+01 mv 1 26 134 -7 0 + 4 e 568 376 etot -6.5729E+01 mv 1 26 114 -137 0 + 4 e 372 383 etot -8.2899E+01 mv 1 26 120 -68 0 + 4 e 326 365 etot -8.3722E+01 mv 1 26 72 -144 0 + 4 e 370 387 etot -7.7030E+01 mv 1 26 168 -49 0 + 4 e 776 318 etot -7.6533E+01 mv 1 26 109 -67 0 + 4 e 423 399 etot -8.2407E+01 mv 1 26 112 -91 0 + 4 e 335 394 etot -8.2808E+01 mv 1 26 134 -173 0 + 4 e 494 359 etot -8.5247E+01 mv 1 26 141 -18 0 + 4 e 126 11 etot -6.5251E+01 mv 6 27 37 33 0 + 4 e 144 25 etot -8.7772E+01 mv 6 27 92 150 0 + 4 e 168 27 etot -8.8760E+01 mv 6 27 92 148 0 + 4 e 207 26 etot -8.8760E+01 mv 6 27 92 172 0 + 4 e 203 15 etot -8.9075E+01 mv 6 27 37 42 0 c 37 2.3 0.0 + -1 e 1 37 etot 1.3528E+20 mv 6 27 38 22 0 + 4 e 193 14 etot -8.9075E+01 mv 6 27 37 115 0 c 37 1.3 0.0 + 4 e 250 5 etot -8.1365E+01 mv 6 27 27 132 0 + -1 e 1 40 etot 1.3528E+20 mv 6 27 38 150 0 + 4 e 27 39 etot -8.6089E+01 mv 6 27 38 31 0 c 31 0.0 0.0 + 4 e 262 18 etot -7.5698E+01 mv 6 27 37 158 0 + 4 e 137 31 etot -8.3641E+01 mv 6 27 38 196 0 c 196 1.9 0.0 + 4 e 153 33 etot -8.3881E+01 mv 6 27 38 171 0 + 4 e 136 34 etot -8.4020E+01 mv 6 27 38 97 0 + 4 e 292 6 etot -8.2794E+01 mv 6 27 27 191 0 + 4 e 293 9 etot -8.5005E+01 mv 6 27 27 115 0 + 4 e 325 7 etot -8.6054E+01 mv 6 27 27 92 0 + 4 e 340 3 etot -8.2529E+01 mv 6 27 27 82 0 + 4 e 180 35 etot -8.2793E+01 mv 6 27 38 169 0 + 4 e 347 17 etot -8.2009E+01 mv 6 27 37 11 0 + 4 e 352 13 etot -7.9686E+01 mv 6 27 37 83 0 + 4 e 392 16 etot -7.7365E+01 mv 6 27 37 92 0 + 4 e 360 12 etot -8.9247E+01 mv 6 27 37 46 0 c 42 214.6 0.3 + 4 e 453 1 etot -8.3702E+01 mv 6 27 27 64 0 c 27 86.3 0.9 + 4 e 172 41 etot -6.3639E+01 mv 6 27 46 182 0 + 4 e 215 32 etot -8.6378E+01 mv 6 27 38 60 0 + 4 e 179 43 etot -8.5044E+01 mv 6 27 46 182 0 c 46 3.0 0.0 + 4 e 510 2 etot -7.4098E+01 mv 6 27 27 149 0 + 4 e 442 20 etot -7.4313E+01 mv 6 27 37 168 0 + 4 e 441 19 etot -8.6211E+01 mv 6 27 37 94 0 c 99 263.3 1.1 + 4 e 250 36 etot -8.3291E+01 mv 6 27 38 64 0 + 4 e 164 48 etot -8.2222E+01 mv 6 27 46 35 0 f 124 296.0 0.5 + 4 e 551 10 etot -7.9703E+01 mv 6 27 27 145 0 + 4 e 275 45 etot -8.6205E+01 mv 6 27 46 40 0 c 46 128.1 1.2 + 4 e 508 28 etot -8.9045E+01 mv 6 27 92 31 0 c 92 95.4 0.3 + 4 e 254 24 etot -8.5368E+01 mv 6 27 92 58 0 + 4 e 133 56 etot -6.7653E+01 mv 6 27 45 16 0 + 4 e 254 46 etot -8.1917E+01 mv 6 27 46 177 0 + 4 e 58 69 etot -8.5431E+01 mv 6 27 69 14 0 c 14 0.2 0.0 + -1 e 1 71 etot 1.3528E+20 mv 6 27 199 55 0 + 4 e 157 55 etot -6.2297E+01 mv 6 27 45 180 0 + -1 e 1 73 etot 1.3528E+20 mv 6 27 199 131 0 + 4 e 306 47 etot -7.2820E+01 mv 6 27 46 48 0 + 4 e 294 22 etot -8.2396E+01 mv 6 27 92 100 0 + 4 e 335 50 etot -7.8304E+01 mv 6 27 46 50 0 + 4 e 259 49 etot -8.3487E+01 mv 6 27 46 66 0 + 4 e 196 60 etot -8.3329E+01 mv 6 27 45 194 0 f 19 284.8 1.6 + 4 e 40 70 etot -8.5911E+01 mv 6 27 69 10 0 c 10 0.2 0.0 + 4 e 137 65 etot -7.4405E+01 mv 6 27 69 140 0 + 4 e 633 4 etot -8.1631E+01 mv 6 27 27 109 0 + 4 e 384 38 etot -8.4064E+01 mv 6 27 38 76 0 + -1 e 1 83 etot 1.7598E+41 mv 6 27 44 98 0 + 4 e 310 21 etot -8.3273E+01 mv 6 27 92 138 0 + 4 e 166 44 etot -6.8219E+01 mv 6 27 46 100 0 + 4 e 229 53 etot -8.4727E+01 mv 6 27 45 92 0 + 4 e 314 52 etot -8.3134E+01 mv 6 27 45 58 0 + 4 e 207 59 etot -7.6982E+01 mv 6 27 45 44 0 + 4 e 331 29 etot -9.2240E+01 mv 6 27 92 89 0 c 17 15.5 0.0 + 4 e 642 72 etot -9.2228E+01 mv 6 27 199 101 0 + 4 e 429 79 etot -8.8509E+01 mv 6 27 199 22 0 + 4 e 377 77 etot -8.4502E+01 mv 6 27 199 168 0 c 84 221.5 0.3 + 4 e 483 82 etot -7.4814E+01 mv 6 27 44 25 0 + 4 e 386 57 etot -8.5109E+01 mv 6 27 45 35 0 + 4 e 240 75 etot -8.4502E+01 mv 6 27 199 101 0 c 84 2.6 0.0 + 4 e 319 78 etot -8.1464E+01 mv 6 27 199 126 0 + 4 e 239 89 etot -8.4295E+01 mv 6 27 44 83 0 + 4 e 322 64 etot -8.4787E+01 mv 6 27 69 43 0 + 4 e 344 81 etot -8.2966E+01 mv 6 27 44 190 0 + 4 e 412 66 etot -8.1027E+01 mv 6 27 69 51 0 + 4 e 279 74 etot -8.7668E+01 mv 6 27 199 77 0 + 4 e 226 87 etot -8.6811E+01 mv 6 27 44 34 0 + -1 e 1 94 etot 1.3528E+20 mv 6 27 157 6 0 + 4 e 487 42 etot -8.1329E+01 mv 6 27 46 185 0 + 4 e 335 84 etot -8.1505E+01 mv 6 27 44 174 0 + 4 e 448 54 etot -7.3538E+01 mv 6 27 45 90 0 + 4 e 285 88 etot -8.6923E+01 mv 6 27 44 90 0 + 4 e 296 62 etot -8.2831E+01 mv 6 27 69 64 0 + 4 e 383 61 etot -8.8128E+01 mv 6 27 69 115 0 + 4 e 437 85 etot -7.7411E+01 mv 6 27 44 180 0 + -1 e 1 103 etot 3.3802E+29 mv 6 27 152 55 0 + 4 e 232 76 etot -8.5437E+01 mv 6 27 199 89 0 c 84 86.0 0.9 + 4 e 424 23 etot -6.9608E+01 mv 6 27 92 60 0 + 4 e 360 68 etot -8.3173E+01 mv 6 27 69 177 0 + 4 e 356 80 etot -7.2285E+01 mv 6 27 199 54 0 + 4 e 274 63 etot -8.4460E+01 mv 6 27 69 116 0 + -1 e 1 112 etot 1.3528E+20 mv 6 27 170 22 0 + 4 e 384 51 etot -8.2062E+01 mv 6 27 45 77 0 + 4 e 245 67 etot -8.4587E+01 mv 6 27 69 23 0 c 69 2.4 0.0 + 4 e 177 90 etot -8.2007E+01 mv 6 27 44 177 0 + 4 e 410 30 etot -7.6386E+01 mv 6 27 92 117 0 + 4 e 241 86 etot -8.7583E+01 mv 6 27 44 34 0 + -1 e 1 116 etot 1.3528E+20 mv 6 27 170 102 0 + 4 e 440 58 etot -8.6761E+01 mv 6 27 45 118 0 c 142 156.2 0.4 + -1 e 1 124 etot 1.3528E+20 mv 6 27 139 8 0 + -1 e 1 121 etot 1.3528E+20 mv 6 27 139 73 0 + -1 e 1 123 etot 1.3528E+20 mv 6 27 139 136 0 + -1 e 1 128 etot 1.3528E+20 mv 6 27 139 167 0 + -1 e 1 100 etot 1.3528E+20 mv 6 27 157 142 0 + 4 e 39 106 etot -8.6546E+01 mv 6 27 152 32 0 c 32 0.1 0.0 + 4 e 99 102 etot -8.2794E+01 mv 6 27 152 27 0 + 4 e 143 95 etot -8.2624E+01 mv 6 27 157 50 0 f 83 324.8 0.8 + -1 e 1 133 etot 1.3528E+20 mv 6 27 62 197 0 + 4 e 163 115 etot -6.5516E+01 mv 6 27 170 175 0 + 4 e 216 104 etot -7.0460E+01 mv 6 27 152 79 0 + 4 e 198 92 etot -8.1813E+01 mv 6 27 157 153 0 c 153 4.8 0.0 + 4 e 202 120 etot -8.3288E+01 mv 6 27 170 147 0 + -1 e 1 138 etot 1.3528E+20 mv 6 27 62 51 0 + 4 e 212 108 etot -8.3487E+01 mv 6 27 152 117 0 + 4 e 226 107 etot -8.4032E+01 mv 6 27 152 15 0 c 152 2.9 0.0 + 4 e 197 98 etot -8.4931E+01 mv 6 27 157 175 0 + -1 e 1 142 etot 1.3528E+20 mv 6 27 15 184 0 + 4 e 236 118 etot -8.3367E+01 mv 6 27 170 135 0 + -1 e 1 143 etot 1.3528E+20 mv 6 27 15 17 0 + 4 e 277 114 etot -8.3735E+01 mv 6 27 170 62 0 + 4 e 283 111 etot -8.1821E+01 mv 6 27 170 97 0 + 4 e 285 113 etot -7.6305E+01 mv 6 27 170 180 0 + 4 e 251 99 etot -8.5756E+01 mv 6 27 157 72 0 + 4 e 315 105 etot -7.6608E+01 mv 6 27 152 125 0 + 4 e 322 117 etot -7.7388E+01 mv 6 27 170 119 0 + -1 e 1 151 etot 1.3528E+20 mv 6 27 40 28 0 + 4 e 315 126 etot -8.3915E+01 mv 6 27 139 130 0 + 4 e 317 109 etot -7.7991E+01 mv 6 27 152 38 0 + 4 e 296 101 etot -7.0649E+01 mv 6 27 152 81 0 + 4 e 340 91 etot -8.4383E+01 mv 6 27 157 94 0 c 157 94.7 0.2 + 4 e 252 131 etot -8.1255E+01 mv 6 27 62 88 0 + 4 e 150 137 etot -8.3870E+01 mv 6 27 62 24 0 + 4 e 350 110 etot -8.2219E+01 mv 6 27 152 138 0 + 4 e 396 93 etot -7.8240E+01 mv 6 27 157 193 0 + 4 e 381 97 etot -8.1349E+01 mv 6 27 157 26 0 + 4 e 316 130 etot -8.4864E+01 mv 6 27 139 104 0 + 4 e 423 96 etot -8.3378E+01 mv 6 27 157 180 0 + 4 e 441 119 etot -7.3325E+01 mv 6 27 170 118 0 + 4 e 282 135 etot -8.6641E+01 mv 6 27 62 49 0 + 4 e 150 150 etot -8.3155E+01 mv 6 27 15 183 0 c 183 0.9 0.0 + 4 e 205 156 etot -8.4868E+01 mv 6 27 40 56 0 c 40 2.2 0.0 + -1 e 1 167 etot 1.3528E+20 mv 6 27 166 40 0 + -1 e 1 168 etot 1.3528E+20 mv 6 27 166 94 0 + 4 e 201 158 etot -8.3478E+01 mv 6 27 40 177 0 + 4 e 113 159 etot -8.4868E+01 mv 6 27 40 146 0 c 40 0.7 0.0 + 4 e 305 127 etot -8.4725E+01 mv 6 27 139 73 0 + 4 e 241 145 etot -8.5063E+01 mv 6 27 15 129 0 + -1 e 1 173 etot 1.3528E+20 mv 6 27 2 105 0 + 4 e 247 129 etot -8.2402E+01 mv 6 27 139 32 0 + 4 e 291 136 etot -8.5112E+01 mv 6 27 62 36 0 + 4 e 284 141 etot -7.8503E+01 mv 6 27 15 197 0 + 4 e 217 149 etot -8.4350E+01 mv 6 27 15 118 0 c 15 2.2 0.0 + 4 e 255 146 etot -8.9059E+01 mv 6 27 15 27 0 + 4 e 340 125 etot -6.9693E+01 mv 6 27 139 121 0 + 4 e 241 155 etot -8.4466E+01 mv 6 27 40 183 0 c 183 128.9 1.3 + 4 e 270 157 etot -8.4973E+01 mv 6 27 40 31 0 c 40 114.9 0.1 + 4 e 357 144 etot -8.4563E+01 mv 6 27 15 141 0 + -1 e 1 183 etot 1.3528E+20 mv 6 27 73 154 0 + 4 e 279 122 etot -8.4726E+01 mv 6 27 139 149 0 + 4 e 365 139 etot -6.6529E+01 mv 6 27 62 23 0 + 4 e 521 132 etot -8.3015E+01 mv 6 27 62 11 0 f 36 320.9 1.2 + -1 e 1 187 etot 1.3528E+20 mv 6 27 73 68 0 + 4 e 317 160 etot -8.8141E+01 mv 6 27 40 168 0 c 123 217.7 0.5 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etot -8.3958E+01 mv 6 27 179 123 0 + 4 e 360 174 etot -8.2656E+01 mv 6 27 2 93 0 + 4 e 256 189 etot -8.3580E+01 mv 6 27 73 153 0 + 4 e 341 163 etot -7.7238E+01 mv 6 27 166 87 0 + 4 e 420 170 etot -7.5727E+01 mv 6 27 166 109 0 + 4 e 315 191 etot -8.4264E+01 mv 6 27 179 14 0 + 4 e 177 202 etot -6.7429E+01 mv 2 27 27 -6 0 + 4 e 247 192 etot -8.4265E+01 mv 6 27 179 70 0 + 4 e 541 147 etot -8.4349E+01 mv 6 27 15 151 0 + 4 e 292 193 etot -7.9135E+01 mv 6 27 179 106 0 + -1 e 1 219 etot 1.3528E+20 mv 2 27 38 -52 0 + 4 e 293 199 etot -8.4383E+01 mv 6 27 179 55 0 c 27 217.7 0.7 + 4 e 197 210 etot -8.9074E+01 mv 2 27 37 -186 0 + 4 e 328 195 etot -8.1262E+01 mv 6 27 179 170 0 + 4 e 475 177 etot -8.3333E+01 mv 6 27 2 183 0 + 4 e 237 211 etot -8.1372E+01 mv 2 27 92 -151 0 + 4 e 247 196 etot -8.1755E+01 mv 6 27 179 54 0 + 4 e 529 181 etot -9.2230E+01 mv 6 27 73 168 0 + 4 e 193 215 etot -7.4452E+01 mv 2 27 92 -117 0 + 4 e 326 204 etot -8.0383E+01 mv 2 27 27 -50 0 + 4 e 323 212 etot -7.8585E+01 mv 2 27 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391 etot -8.3580E+01 mv 1 27 73 -105 0 + 4 e 136 402 etot -8.9075E+01 mv 0 27 37 0 0 c 37 0.7 0.0 + 4 e 328 369 etot -7.7731E+01 mv 1 27 62 -188 0 + 4 e 93 404 etot -8.6378E+01 mv 0 27 38 0 0 c 38 0.7 0.0 + 4 e 551 368 etot -8.1751E+01 mv 1 27 62 -136 0 + 4 e 455 374 etot -8.3306E+01 mv 1 27 15 -125 0 + 4 e 101 405 etot -8.5044E+01 mv 0 27 46 0 0 + 4 e 410 360 etot -7.9509E+01 mv 1 27 170 -50 0 + 4 e 617 359 etot -8.2291E+01 mv 1 27 170 -121 0 + 4 e 585 338 etot -7.0499E+01 mv 1 27 199 -123 0 + 4 e 400 384 etot -8.2898E+01 mv 1 27 166 -12 0 +## N0 total= 18 close= 9 far= 0 %acc 50.0 +## N1 total= 102 close= 11 far= 2 %acc 12.7 +## N2 total= 100 close= 6 far= 2 %acc 8.0 +## N3 total= 0 close= 0 far= 0 %acc 0.0 +## N4 total= 0 close= 0 far= 0 %acc 0.0 +## N5 total= 0 close= 0 far= 0 %acc 0.0 +## N6 total= 200 close= 34 far= 4 %acc 19.0 +## N7 total= 0 close= 0 far= 0 %acc 0.0 +## N8 total= 0 close= 0 far= 0 %acc 0.0 +## N9 total= 0 close= 0 far= 0 %acc 0.0 +##N10 total= 0 close= 0 far= 0 %acc 0.0 +##N11 total= 0 close= 0 far= 0 %acc 0.0 +##N12 total= 0 close= 0 far= 0 %acc 0.0 +##N13 total= 0 close= 0 far= 0 %acc 0.0 +##N14 total= 0 close= 0 far= 0 %acc 0.0 +##N15 total= 0 close= 0 far= 0 %acc 0.0 +##N16 total= 0 close= 0 far= 0 %acc 0.0 +##N17 total= 0 close= 0 far= 0 %acc 0.0 +##N18 total= 0 close= 0 far= 0 %acc 0.0 + Time for refresh 28 0.30 + make_var : nseed= 20 ntry= 420 + Time for make trial 29 0.07 +Nonsetup time 62.09 sec, Eval/s = 57709.37 +Time for iter 29 1.84 sec, Eval/s = 65609.76 + UPDATING 420 + 4 e 101 409 etot -8.4296E+01 mv 0 27 44 0 0 c 44 1.3 0.0 + 4 e 143 407 etot -8.4587E+01 mv 0 27 69 0 0 c 69 2.2 0.0 + 4 e 119 414 etot -8.6642E+01 mv 0 27 62 0 0 c 62 1.4 0.0 + 4 e 176 410 etot -8.4161E+01 mv 0 27 157 0 0 + 4 e 546 387 etot -8.2656E+01 mv 1 27 2 -63 0 + 4 e 449 398 etot -8.3951E+01 mv 1 27 179 -8 0 + 4 e 391 388 etot -7.9653E+01 mv 1 27 2 -21 0 + 4 e 411 397 etot -8.4264E+01 mv 1 27 179 -151 0 + 4 e 106 408 etot -8.4214E+01 mv 0 27 199 0 0 + 4 e 271 395 etot -8.3581E+01 mv 1 27 73 -77 0 + 4 e 102 415 etot -8.4350E+01 mv 0 27 15 0 0 c 15 0.8 0.0 + 4 e 93 411 etot -8.4032E+01 mv 0 27 152 0 0 + 4 e 75 420 etot -8.4266E+01 mv 0 27 179 0 0 c 179 1.2 0.0 + 4 e 99 418 etot -8.3659E+01 mv 0 27 2 0 0 c 2 0.5 0.0 + 4 e 110 416 etot -8.4868E+01 mv 0 27 40 0 0 + 4 e 486 394 etot -8.3360E+01 mv 1 27 73 -26 0 + 4 e 285 396 etot -7.6593E+01 mv 1 27 179 -134 0 + 4 e 241 400 etot -8.4265E+01 mv 1 27 179 -153 0 + -1 e 1 12 etot 1.3528E+20 mv 6 28 92 75 0 + 4 e 586 386 etot -7.6417E+01 mv 1 27 2 -81 0 + -1 e 1 13 etot 1.3528E+20 mv 6 28 92 79 0 + 4 e 301 390 etot -7.6049E+01 mv 1 27 2 -84 0 + 4 e 536 393 etot -7.5914E+01 mv 1 27 73 -121 0 + 4 e 334 392 etot -7.7951E+01 mv 1 27 73 -53 0 + 4 e 523 363 etot -8.4089E+01 mv 1 27 139 -134 0 + 4 e 189 419 etot -8.3580E+01 mv 0 27 73 0 0 + 4 e 83 417 etot -8.3772E+01 mv 0 27 166 0 0 c 166 0.6 0.0 + 4 e 55 413 etot -8.4768E+01 mv 0 27 139 0 0 + 4 e 96 412 etot -8.3944E+01 mv 0 27 170 0 0 + 4 e 300 385 etot -8.3771E+01 mv 1 27 166 -89 0 + 4 e 645 366 etot -8.6038E+01 mv 1 27 62 -13 0 + -1 e 1 26 etot 1.3528E+20 mv 6 28 61 6 0 + 4 e 126 406 etot -8.5026E+01 mv 0 27 45 0 0 c 45 0.7 0.0 + 4 e 712 371 etot -8.5889E+01 mv 1 27 15 -156 0 c 15 215.7 1.5 + -1 e 1 29 etot 1.3528E+20 mv 6 28 61 105 0 + -1 e 1 33 etot 1.3528E+20 mv 6 28 157 165 0 + 4 e 180 32 etot -8.5116E+01 mv 6 28 157 163 0 + 4 e 192 31 etot -8.5174E+01 mv 6 28 157 7 0 c 157 2.1 0.0 + -1 e 1 38 etot 1.3528E+20 mv 6 28 157 156 0 + 4 e 204 16 etot -8.6599E+01 mv 6 28 92 20 0 + 4 e 206 11 etot -8.9046E+01 mv 6 28 92 20 0 c 92 2.6 0.0 + 4 e 212 14 etot -7.9335E+01 mv 6 28 92 113 0 + 4 e 248 3 etot -8.6607E+01 mv 6 28 130 139 0 + -1 e 1 43 etot 1.3528E+20 mv 6 28 139 80 0 + 4 e 220 18 etot -8.4786E+01 mv 6 28 92 155 0 c 155 108.4 0.4 + 4 e 271 1 etot -8.7113E+01 mv 6 28 130 61 0 + 4 e 303 2 etot -9.2233E+01 mv 6 28 130 54 0 + 4 e 255 17 etot -8.0507E+01 mv 6 28 92 38 0 + 4 e 270 34 etot -8.5174E+01 mv 6 28 157 12 0 + 4 e 269 30 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4 e 419 357 etot -8.2421E+01 mv 1 28 73 -151 0 + 4 e 278 369 etot -7.1675E+01 mv 1 28 19 -38 0 + 4 e 224 376 etot -8.5913E+01 mv 1 28 99 -34 0 + 4 e 211 367 etot -7.3398E+01 mv 1 28 19 -150 0 + 4 e 360 361 etot -8.3543E+01 mv 1 28 55 -29 0 + 4 e 286 371 etot -8.2552E+01 mv 1 28 112 -45 0 + 4 e 321 366 etot -8.3356E+01 mv 1 28 19 -2 0 c 19 22.8 0.0 + 4 e 335 368 etot -7.1387E+01 mv 1 28 19 -38 0 + 4 e 575 350 etot -8.7812E+01 mv 1 28 123 -148 0 c 15 136.8 1.9 + 4 e 270 370 etot -8.3134E+01 mv 1 28 19 -138 0 + 4 e 175 381 etot -8.5437E+01 mv 1 28 84 -41 0 c 84 2.3 0.0 + 4 e 302 378 etot -7.2952E+01 mv 1 28 99 -102 0 + 4 e 467 347 etot -7.4056E+01 mv 1 28 123 -111 0 + 4 e 445 363 etot -7.5468E+01 mv 1 28 55 -161 0 + 4 e 493 362 etot -6.9550E+01 mv 1 28 55 -76 0 + 4 e 277 383 etot -8.5437E+01 mv 1 28 84 -73 0 + 4 e 329 365 etot -8.2917E+01 mv 1 28 55 -135 0 + 4 e 284 375 etot -8.2181E+01 mv 1 28 112 -11 0 + 4 e 332 382 etot -7.6137E+01 mv 1 28 84 -57 0 + 4 e 226 391 etot -8.4384E+01 mv 1 28 27 -151 0 + 4 e 230 390 etot -8.3177E+01 mv 1 28 153 -36 0 + 4 e 76 405 etot -8.5082E+01 mv 0 28 139 0 0 c 139 0.2 0.0 + 4 e 96 404 etot -8.5175E+01 mv 0 28 157 0 0 c 157 0.9 0.0 + 4 e 239 392 etot -8.2100E+01 mv 1 28 27 -148 0 + 4 e 126 401 etot -8.7082E+01 mv 0 28 130 0 0 c 130 2.6 0.0 + 4 e 94 402 etot -8.9046E+01 mv 0 28 92 0 0 c 92 0.9 0.0 + 4 e 298 387 etot -7.7427E+01 mv 1 28 153 -127 0 + 4 e 293 388 etot -8.1654E+01 mv 1 28 153 -49 0 + 4 e 381 385 etot -7.7823E+01 mv 1 28 84 -70 0 + 4 e 259 395 etot -8.3696E+01 mv 1 28 27 -186 0 + 4 e 153 403 etot -8.8083E+01 mv 0 28 61 0 0 +## N0 total= 20 close= 12 far= 0 %acc 60.0 +## N1 total= 100 close= 9 far= 1 %acc 10.0 +## N2 total= 100 close= 8 far= 1 %acc 9.0 +## N3 total= 0 close= 0 far= 0 %acc 0.0 +## N4 total= 0 close= 0 far= 0 %acc 0.0 +## N5 total= 0 close= 0 far= 0 %acc 0.0 +## N6 total= 200 close= 28 far= 6 %acc 17.0 +## N7 total= 0 close= 0 far= 0 %acc 0.0 +## N8 total= 0 close= 0 far= 0 %acc 0.0 +## N9 total= 0 close= 0 far= 0 %acc 0.0 +##N10 total= 0 close= 0 far= 0 %acc 0.0 +##N11 total= 0 close= 0 far= 0 %acc 0.0 +##N12 total= 0 close= 0 far= 0 %acc 0.0 +##N13 total= 0 close= 0 far= 0 %acc 0.0 +##N14 total= 0 close= 0 far= 0 %acc 0.0 +##N15 total= 0 close= 0 far= 0 %acc 0.0 +##N16 total= 0 close= 0 far= 0 %acc 0.0 +##N17 total= 0 close= 0 far= 0 %acc 0.0 +##N18 total= 0 close= 0 far= 0 %acc 0.0 + Time for refresh 29 0.43 + make_var : nseed= 20 ntry= 420 + Time for make trial 30 0.77 +Nonsetup time 64.89 sec, Eval/s = 57050.98 +Time for iter 30 2.80 sec, Eval/s = 42434.15 + UPDATING 420 + 4 e 72 412 etot -8.3899E+01 mv 0 28 73 0 0 c 73 1.4 0.0 + 4 e 169 420 etot -8.3016E+01 mv 0 28 36 0 0 + 4 e 147 408 etot -8.5625E+01 mv 0 28 152 0 0 c 152 1.9 0.0 + 4 e 120 411 etot -8.3836E+01 mv 0 28 156 0 0 c 156 1.3 0.0 + 4 e 695 384 etot -8.0775E+01 mv 1 28 84 -62 0 + 4 e 68 409 etot -8.4453E+01 mv 0 28 170 0 0 c 170 0.6 0.0 + 4 e 93 417 etot -8.5437E+01 mv 0 28 84 0 0 c 84 1.3 0.0 + 4 e 98 410 etot -8.8142E+01 mv 0 28 123 0 0 + 4 e 305 397 etot -6.4932E+01 mv 1 28 36 -176 0 + 4 e 120 413 etot -8.3545E+01 mv 0 28 55 0 0 c 55 1.0 0.0 + 4 e 97 419 etot -8.4384E+01 mv 0 28 27 0 0 c 27 0.9 0.0 + 4 e 101 418 etot -8.3177E+01 mv 0 28 153 0 0 + 4 e 79 414 etot -8.3329E+01 mv 0 28 19 0 0 + 4 e 420 398 etot -5.0840E+01 mv 1 28 36 -108 0 + 4 e 183 416 etot -8.6212E+01 mv 0 28 99 0 0 c 99 0.6 0.0 + -1 e 1 5 etot 5.7475E+24 mv 6 29 86 184 0 + -1 e 1 8 etot 1.3528E+20 mv 6 29 86 126 0 + -1 e 1 9 etot 1.3528E+20 mv 6 29 86 100 0 + 4 e 522 394 etot -8.2494E+01 mv 1 28 27 -15 0 + 4 e 299 396 etot -7.8962E+01 mv 1 28 36 -50 0 + 4 e 632 380 etot -7.8184E+01 mv 1 28 99 -96 0 + 4 e 617 379 etot -8.0694E+01 mv 1 28 99 -16 0 + 4 e 107 406 etot -8.6762E+01 mv 0 28 142 0 0 + 4 e 598 356 etot -8.5346E+01 mv 1 28 73 -24 0 + 4 e 86 407 etot -8.6225E+01 mv 0 28 46 0 0 + 4 e 252 399 etot -7.3915E+01 mv 1 28 36 -122 0 + 4 e 253 400 etot -8.2586E+01 mv 1 28 36 -123 0 + 4 e 369 386 etot -8.3175E+01 mv 1 28 153 -103 0 + 4 e 445 393 etot -7.5407E+01 mv 1 28 27 -198 0 + 4 e 400 389 etot -7.6487E+01 mv 1 28 153 -97 0 + 4 e 525 359 etot -8.0825E+01 mv 1 28 73 -55 0 + 4 e 368 377 etot -7.5840E+01 mv 1 28 99 -173 0 + 4 e 242 372 etot -8.0793E+01 mv 1 28 112 -156 0 + 4 e 96 415 etot -8.3145E+01 mv 0 28 112 0 0 + -1 e 1 32 etot 1.3528E+20 mv 6 29 191 61 0 + -1 e 1 22 etot 1.3528E+20 mv 6 29 45 1 0 + 4 e 201 18 etot -8.5911E+01 mv 6 29 31 10 0 + 4 e 227 19 etot -8.8224E+01 mv 6 29 31 98 0 c 98 49.3 0.7 + 4 e 239 10 etot -8.6599E+01 mv 6 29 86 149 0 + 4 e 249 20 etot -7.4087E+01 mv 6 29 31 54 0 + 4 e 261 7 etot -7.9029E+01 mv 6 29 86 32 0 + 4 e 272 28 etot -8.8950E+01 mv 6 29 45 116 0 c 27 217.1 4.6 + 4 e 246 15 etot -8.6371E+01 mv 6 29 31 101 0 c 31 2.3 0.0 + 4 e 304 1 etot -8.3646E+01 mv 6 29 86 63 0 + -1 e 1 44 etot 1.3528E+20 mv 6 29 68 185 0 + 4 e 299 29 etot -8.8950E+01 mv 6 29 45 39 0 + 4 e 318 3 etot -7.4242E+01 mv 6 29 86 63 0 + 4 e 337 21 etot -8.6730E+01 mv 6 29 45 16 0 + 4 e 341 4 etot 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0 + 4 e 336 40 etot -8.8153E+01 mv 6 29 191 115 0 c 115 188.6 1.1 + 4 e 263 25 etot -8.8950E+01 mv 6 29 45 143 0 + 4 e 520 14 etot -8.6370E+01 mv 6 29 31 108 0 + 4 e 551 13 etot -8.4122E+01 mv 6 29 31 75 0 + 4 e 246 49 etot -7.5175E+01 mv 6 29 68 164 0 + 4 e 271 33 etot -8.9325E+01 mv 6 29 191 133 0 + -1 e 1 76 etot 1.3528E+20 mv 6 29 199 50 0 + 4 e 282 26 etot -8.6731E+01 mv 6 29 45 70 0 + 4 e 601 12 etot -7.9596E+01 mv 6 29 31 117 0 + 4 e 364 48 etot -7.8564E+01 mv 6 29 68 104 0 + 4 e 241 51 etot -8.6699E+01 mv 6 29 36 159 0 + 4 e 470 38 etot -7.9704E+01 mv 6 29 191 185 0 + 4 e 381 43 etot -7.5109E+01 mv 6 29 68 43 0 + 4 e 607 11 etot -7.3928E+01 mv 6 29 31 160 0 + 4 e 313 34 etot -8.3604E+01 mv 6 29 191 146 0 + 4 e 384 55 etot -7.8370E+01 mv 6 29 36 64 0 + 4 e 140 53 etot -6.5648E+01 mv 6 29 36 149 0 + 4 e 186 63 etot -8.3143E+01 mv 6 29 113 124 0 + 4 e 216 69 etot -7.7921E+01 mv 6 29 113 150 0 + 4 e 156 66 etot -8.4701E+01 mv 6 29 113 193 0 + -1 e 1 90 etot 1.3528E+20 mv 6 29 155 48 0 + -1 e 1 91 etot 1.3528E+20 mv 6 29 195 30 0 + 4 e 314 61 etot -8.4180E+01 mv 6 29 113 116 0 c 116 61.6 1.5 + 4 e 316 58 etot -7.9710E+01 mv 6 29 36 32 0 + 4 e 254 71 etot -8.4812E+01 mv 6 29 199 72 0 c 199 3.9 0.0 + 4 e 67 94 etot -8.3457E+01 mv 6 29 195 112 0 c 112 0.7 0.0 + 4 e 219 68 etot -7.3147E+01 mv 6 29 113 164 0 + 4 e 273 74 etot -8.5022E+01 mv 6 29 199 198 0 + -1 e 1 98 etot 1.3528E+20 mv 6 29 195 91 0 + -1 e 1 99 etot 1.3528E+20 mv 6 29 195 52 0 + -1 e 1 100 etot 1.3528E+20 mv 6 29 195 125 0 + 4 e 431 59 etot -8.9124E+01 mv 6 29 36 74 0 c 77 53.1 0.6 + 4 e 242 79 etot -8.5215E+01 mv 6 29 199 54 0 c 199 130.1 0.4 + -1 e 1 103 etot 4.8187E+21 mv 6 29 142 105 0 + 4 e 218 80 etot -8.7772E+01 mv 6 29 199 34 0 + 4 e 195 84 etot -8.2490E+01 mv 6 29 155 197 0 f 106 277.3 0.5 + -1 e 1 106 etot 1.3528E+20 mv 6 29 142 31 0 + 4 e 722 6 etot -7.0633E+01 mv 6 29 86 21 0 + 4 e 345 70 etot -8.4803E+01 mv 6 29 113 19 0 + -1 e 1 109 etot 1.3528E+20 mv 6 29 142 66 0 + 4 e 370 75 etot -8.5215E+01 mv 6 29 199 165 0 + 4 e 402 73 etot -8.6360E+01 mv 6 29 199 89 0 + 4 e 544 60 etot -7.6234E+01 mv 6 29 36 110 0 + 4 e 439 64 etot -8.0584E+01 mv 6 29 113 198 0 + 8 e 131 77 etot -6.3986E+01 mv 6 29 199 174 0 + 4 e 240 50 etot -8.8057E+01 mv 6 29 68 164 0 c 68 24.4 2.8 + 4 e 222 88 etot -8.6976E+01 mv 6 29 155 190 0 c 105 148.1 0.0 + 4 e 342 83 etot -8.3821E+01 mv 6 29 155 195 0 + 4 e 219 95 etot -7.2745E+01 mv 6 29 195 143 0 + 4 e 377 82 etot -7.5860E+01 mv 6 29 155 84 0 + 4 e 303 89 etot -8.3357E+01 mv 6 29 155 130 0 + -1 e 1 121 etot 1.3528E+20 mv 6 29 183 123 0 + 4 e 284 93 etot -7.5557E+01 mv 6 29 195 111 0 + 4 e 330 81 etot -8.3769E+01 mv 6 29 155 12 0 + 4 e 311 96 etot -7.7380E+01 mv 6 29 195 153 0 + 4 e 321 102 etot -8.1067E+01 mv 6 29 142 131 0 + 4 e 173 117 etot -8.6044E+01 mv 6 29 66 78 0 + 4 e 186 118 etot -8.2835E+01 mv 6 29 66 48 0 + 4 e 293 56 etot -8.5022E+01 mv 6 29 36 199 0 + 4 e 266 113 etot -8.6107E+01 mv 6 29 66 193 0 c 66 3.1 0.0 + 4 e 561 86 etot -8.0905E+01 mv 6 29 155 59 0 + 4 e 416 105 etot -8.5087E+01 mv 6 29 142 125 0 + 4 e 262 120 etot -7.3967E+01 mv 6 29 66 72 0 + 4 e 254 72 etot -8.4813E+01 mv 6 29 199 123 0 + 4 e 358 110 etot -8.8223E+01 mv 6 29 142 30 0 c 142 4.4 0.0 + -1 e 1 135 etot 1.3528E+20 mv 6 29 82 30 0 + -1 e 1 136 etot 1.3528E+20 mv 6 29 82 23 0 + -1 e 1 137 etot 1.3528E+20 mv 6 29 82 94 0 + 4 e 369 92 etot -7.8994E+01 mv 6 29 195 73 0 + 4 e 472 101 etot -8.3889E+01 mv 6 29 142 163 0 + -1 e 1 140 etot 1.3528E+20 mv 6 29 82 45 0 + 4 e 342 97 etot -7.6685E+01 mv 6 29 195 46 0 + 4 e 388 114 etot -8.1895E+01 mv 6 29 66 113 0 + 4 e 470 107 etot -8.6230E+01 mv 6 29 142 136 0 + -1 e 1 144 etot 1.3528E+20 mv 6 29 4 76 0 + 4 e 493 104 etot -7.6862E+01 mv 6 29 142 133 0 + 4 e 372 54 etot -8.5602E+01 mv 6 29 36 7 0 + 4 e 391 111 etot -7.2166E+01 mv 6 29 66 114 0 + -1 e 1 148 etot 1.3528E+20 mv 6 29 4 29 0 + 4 e 304 122 etot -8.5066E+01 mv 6 29 183 52 0 + 4 e 225 87 etot -8.0946E+01 mv 6 29 155 111 0 + 4 e 160 130 etot -8.3759E+01 mv 6 29 183 137 0 + 8 e 37 145 etot -6.3992E+01 mv 6 29 4 171 0 + 4 e 215 128 etot -8.4467E+01 mv 6 29 183 194 0 c 183 6.7 0.0 + 4 e 286 108 etot -8.8224E+01 mv 6 29 142 161 0 c 142 4.0 0.0 + 4 e 255 126 etot -7.6963E+01 mv 6 29 183 70 0 + -1 e 1 156 etot 1.3528E+20 mv 6 29 143 112 0 + 4 e 414 119 etot -8.4904E+01 mv 6 29 66 22 0 + 4 e 114 141 etot -8.2360E+01 mv 6 29 4 43 0 c 43 1.1 0.0 + 4 e 247 127 etot -8.3505E+01 mv 6 29 183 105 0 + 4 e 498 112 etot -8.0917E+01 mv 6 29 66 188 0 + -1 e 1 160 etot 1.3528E+20 mv 6 29 143 102 0 + 4 e 124 143 etot -6.5406E+01 mv 6 29 4 28 0 + -1 e 1 163 etot 1.3528E+20 mv 6 29 112 126 0 + -1 e 1 164 etot 1.3528E+20 mv 6 29 112 22 0 + 4 e 335 85 etot -7.9899E+01 mv 6 29 155 4 0 + 4 e 678 67 etot -8.2081E+01 mv 6 29 113 166 0 f 154 315.3 0.1 + 4 e 451 123 etot -8.7287E+01 mv 6 29 183 66 0 c 139 153.4 2.2 + -1 e 1 168 etot 1.3528E+20 mv 6 29 112 36 0 + 4 e 158 149 etot -8.5451E+01 mv 6 29 4 124 0 c 4 90.9 1.2 + 4 e 227 138 etot -8.3404E+01 mv 6 29 82 29 0 c 124 223.1 1.2 + 4 e 293 131 etot -7.4750E+01 mv 6 29 82 145 0 + 4 e 218 150 etot -8.5803E+01 mv 6 29 4 139 0 + 4 e 300 132 etot -8.4825E+01 mv 6 29 82 136 0 c 82 162.5 0.4 + 4 e 161 157 etot -8.3546E+01 mv 6 29 143 21 0 c 143 3.7 0.0 + 4 e 457 125 etot -8.1941E+01 mv 6 29 183 100 0 + -1 e 1 176 etot 1.3528E+20 mv 6 29 11 74 0 + 4 e 174 159 etot -8.3546E+01 mv 6 29 143 144 0 c 143 1.2 0.0 + 4 e 191 154 etot -8.2328E+01 mv 6 29 143 145 0 + 4 e 358 133 etot -6.9159E+01 mv 6 29 82 188 0 + 4 e 272 153 etot -6.5982E+01 mv 6 29 143 43 0 + 4 e 262 161 etot -8.3456E+01 mv 6 29 112 115 0 + 4 e 258 142 etot -7.5096E+01 mv 6 29 4 34 0 + 4 e 327 152 etot -7.2357E+01 mv 6 29 143 110 0 + 4 e 368 146 etot -7.9776E+01 mv 6 29 4 28 0 + -1 e 1 183 etot 1.3528E+20 mv 6 29 19 193 0 + 4 e 123 174 etot -8.7515E+01 mv 6 29 11 125 0 + 4 e 243 170 etot -8.3456E+01 mv 6 29 112 44 0 + 4 e 225 171 etot -8.1689E+01 mv 6 29 11 104 0 + 4 e 304 165 etot -8.2524E+01 mv 6 29 112 135 0 + 4 e 452 124 etot -8.4061E+01 mv 6 29 183 31 0 + 4 e 313 147 etot -8.5545E+01 mv 6 29 4 48 0 f 174 284.4 3.5 + -1 e 1 192 etot 1.3528E+20 mv 6 29 153 65 0 + 4 e 206 179 etot -6.8084E+01 mv 6 29 11 162 0 + 4 e 206 178 etot -8.1343E+01 mv 6 29 11 154 0 + 4 e 235 167 etot -7.7933E+01 mv 6 29 112 188 0 + 4 e 296 172 etot -8.3815E+01 mv 6 29 11 15 0 + 4 e 193 181 etot -7.2763E+01 mv 6 29 19 197 0 + 4 e 276 173 etot -8.3880E+01 mv 6 29 11 171 0 + 4 e 250 180 etot -8.1518E+01 mv 6 29 11 23 0 + -1 e 1 200 etot 1.3528E+20 mv 6 29 153 168 0 + 4 e 453 155 etot -8.3014E+01 mv 6 29 143 145 0 + 4 e 281 177 etot -8.2760E+01 mv 6 29 11 186 0 + 4 e 80 191 etot -8.3606E+01 mv 6 29 153 55 0 c 153 33.2 0.3 + -1 e 1 204 etot 1.3528E+20 mv 2 29 86 -142 0 + 4 e 187 187 etot -8.4721E+01 mv 6 29 19 192 0 + 4 e 297 166 etot -8.2164E+01 mv 6 29 112 138 0 + 4 e 490 162 etot -8.0864E+01 mv 6 29 112 152 0 + 4 e 500 158 etot -8.1253E+01 mv 6 29 143 102 0 + 4 e 337 115 etot -8.0875E+01 mv 6 29 66 36 0 + 4 e 452 169 etot -7.3626E+01 mv 6 29 112 145 0 + 4 e 498 78 etot -8.0978E+01 mv 6 29 199 194 0 + 4 e 218 188 etot -8.4072E+01 mv 6 29 19 41 0 + 4 e 263 185 etot -8.4725E+01 mv 6 29 19 138 0 + 4 e 475 139 etot -7.9294E+01 mv 6 29 82 121 0 + 4 e 319 129 etot -8.4832E+01 mv 6 29 183 121 0 c 183 118.3 0.4 + 4 e 338 184 etot -6.7552E+01 mv 6 29 19 109 0 + 4 e 173 206 etot -8.6372E+01 mv 2 29 31 -78 0 c 31 0.9 0.0 + 4 e 159 209 etot -8.6372E+01 mv 2 29 31 -109 0 c 31 0.8 0.0 + 4 e 236 197 etot -8.4319E+01 mv 6 29 153 172 0 + 4 e 189 193 etot -8.3305E+01 mv 6 29 153 91 0 + 4 e 143 205 etot -8.3665E+01 mv 2 29 86 -192 0 c 86 1.3 0.0 + 4 e 517 175 etot -8.4335E+01 mv 6 29 11 32 0 + -1 e 1 223 etot 1.3528E+20 mv 2 29 68 -7 0 + 4 e 405 116 etot -7.7872E+01 mv 6 29 66 103 0 + 4 e 251 201 etot -8.3665E+01 mv 2 29 86 -12 0 + 4 e 330 134 etot -7.4301E+01 mv 6 29 82 172 0 + 4 e 280 203 etot -7.2989E+01 mv 2 29 86 -74 0 + 4 e 474 182 etot -7.6120E+01 mv 6 29 19 154 0 + 4 e 426 189 etot -6.7351E+01 mv 6 29 19 79 0 + 4 e 318 202 etot 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+ 4 e 600 348 etot -7.9569E+01 mv 1 29 195 -138 0 + 4 e 282 384 etot -7.9098E+01 mv 1 29 112 -147 0 + 4 e 431 373 etot -7.6299E+01 mv 1 29 4 -154 0 + 4 e 94 402 etot -8.6372E+01 mv 0 29 31 0 0 c 31 0.6 0.0 + 4 e 119 403 etot -8.6926E+01 mv 0 29 45 0 0 c 45 1.0 0.0 + 4 e 324 364 etot -8.1942E+01 mv 1 29 183 -78 0 + 4 e 426 367 etot -7.9799E+01 mv 1 29 82 -73 0 + 4 e 232 394 etot -8.3357E+01 mv 1 29 19 -6 0 + 4 e 357 368 etot -7.7174E+01 mv 1 29 82 -176 0 + 4 e 92 407 etot -8.5545E+01 mv 0 29 113 0 0 + 4 e 286 393 etot -8.2370E+01 mv 1 29 19 -160 0 +## N0 total= 19 close= 11 far= 0 %acc 57.9 +## N1 total= 104 close= 9 far= 2 %acc 10.6 +## N2 total= 97 close= 10 far= 1 %acc 11.3 +## N3 total= 0 close= 0 far= 0 %acc 0.0 +## N4 total= 0 close= 0 far= 0 %acc 0.0 +## N5 total= 0 close= 0 far= 0 %acc 0.0 +## N6 total= 200 close= 24 far= 3 %acc 13.5 +## N7 total= 0 close= 0 far= 0 %acc 0.0 +## N8 total= 0 close= 0 far= 0 %acc 0.0 +## N9 total= 0 close= 0 far= 0 %acc 0.0 +##N10 total= 0 close= 0 far= 0 %acc 0.0 +##N11 total= 0 close= 0 far= 0 %acc 0.0 +##N12 total= 0 close= 0 far= 0 %acc 0.0 +##N13 total= 0 close= 0 far= 0 %acc 0.0 +##N14 total= 0 close= 0 far= 0 %acc 0.0 +##N15 total= 0 close= 0 far= 0 %acc 0.0 +##N16 total= 0 close= 0 far= 0 %acc 0.0 +##N17 total= 0 close= 0 far= 0 %acc 0.0 +##N18 total= 0 close= 0 far= 0 %acc 0.0 + Time for refresh 30 0.32 + make_var : nseed= 20 ntry= 420 + Time for make trial 31 0.05 +Nonsetup time 66.74 sec, Eval/s = 57257.86 +Time for iter 31 1.85 sec, Eval/s = 64508.22 + UPDATING 420 + 4 e 99 412 etot -8.6108E+01 mv 0 29 66 0 0 c 66 1.9 0.0 + 4 e 165 405 etot -8.5209E+01 mv 0 29 68 0 0 + 4 e 424 382 etot -8.3456E+01 mv 1 29 112 -75 0 + 4 e 108 414 etot -8.4391E+01 mv 0 29 82 0 0 c 124 60.9 0.1 + 4 e 355 392 etot -8.2343E+01 mv 1 29 19 -127 0 + 4 e 67 417 etot -8.3457E+01 mv 0 29 112 0 0 + 4 e 135 411 etot -8.8225E+01 mv 0 29 142 0 0 c 142 0.7 0.0 + 4 e 291 246 etot -8.2101E+01 mv 2 29 195 -53 0 + 4 e 98 409 etot -8.4787E+01 mv 0 29 155 0 0 c 155 1.2 0.0 + 4 e 401 251 etot -8.8224E+01 mv 2 29 142 -110 0 + 4 e 232 265 etot -8.5001E+01 mv 2 29 183 -14 0 c 183 39.0 0.2 + 4 e 124 406 etot -8.5603E+01 mv 0 29 36 0 0 c 36 1.2 0.0 + 4 e 100 419 etot -8.3357E+01 mv 0 29 19 0 0 c 19 1.3 0.0 + -1 e 1 4 etot 1.3528E+20 mv 6 30 199 172 0 + 4 e 134 413 etot -8.4467E+01 mv 0 29 183 0 0 + 4 e 69 420 etot -8.3305E+01 mv 0 29 153 0 0 + -1 e 1 7 etot 1.3528E+20 mv 6 30 199 44 0 + 4 e 54 418 etot -8.4337E+01 mv 0 29 11 0 0 c 11 0.6 0.0 + 4 e 108 415 etot -8.4231E+01 mv 0 29 4 0 0 + 4 e 639 377 etot -6.7830E+01 mv 1 29 143 -98 0 + 4 e 417 365 etot -8.3364E+01 mv 1 29 183 -177 0 + 4 e 244 397 etot -7.4848E+01 mv 1 29 153 -10 0 + 4 e 106 416 etot -8.3546E+01 mv 0 29 143 0 0 c 143 0.9 0.0 + 4 e 61 410 etot -8.4547E+01 mv 0 29 195 0 0 c 195 0.3 0.0 + -1 e 1 16 etot 1.3528E+20 mv 6 30 77 82 0 + 4 e 105 404 etot -9.0747E+01 mv 0 29 191 0 0 c 191 1.5 0.0 + 4 e 174 396 etot -8.3180E+01 mv 1 29 153 -71 0 + 4 e 275 387 etot -8.1615E+01 mv 1 29 11 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343 3 etot -8.1488E+01 mv 6 30 199 128 0 + 4 e 283 17 etot -8.4386E+01 mv 6 30 77 41 0 + 4 e 291 13 etot -8.0305E+01 mv 6 30 77 42 0 + 4 e 378 39 etot -7.5939E+01 mv 6 30 49 53 0 + 4 e 334 18 etot -8.5753E+01 mv 6 30 77 133 0 c 133 1.3 0.0 + 4 e 318 32 etot -8.3858E+01 mv 6 30 49 11 0 + 4 e 327 23 etot -7.6818E+01 mv 6 30 42 178 0 + 4 e 363 10 etot -8.0483E+01 mv 6 30 199 113 0 + 4 e 334 35 etot -8.0687E+01 mv 6 30 49 18 0 + -1 e 1 58 etot 1.3528E+20 mv 6 30 105 176 0 + 4 e 360 15 etot -8.5315E+01 mv 6 30 77 70 0 + 4 e 372 11 etot -8.4329E+01 mv 6 30 77 35 0 + 4 e 382 8 etot -8.6909E+01 mv 6 30 199 123 0 + 4 e 361 34 etot -8.5047E+01 mv 6 30 49 193 0 + 4 e 139 53 etot -8.1480E+01 mv 6 30 105 9 0 + 4 e 404 9 etot -9.2230E+01 mv 6 30 199 24 0 + 4 e 413 21 etot -8.2739E+01 mv 6 30 42 5 0 + 4 e 434 6 etot -8.1895E+01 mv 6 30 199 134 0 + 4 e 423 37 etot -8.5106E+01 mv 6 30 49 111 0 + 4 e 498 14 etot -8.5189E+01 mv 6 30 77 85 0 + 4 e 303 41 etot -8.5838E+01 mv 6 30 102 140 0 c 102 34.5 0.1 + 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329 379 etot -6.9738E+01 mv 1 30 93 -178 0 + 4 e 83 403 etot -8.9248E+01 mv 0 30 42 0 0 c 42 0.3 0.0 + 4 e 101 404 etot -8.5850E+01 mv 0 30 49 0 0 + 4 e 382 378 etot -8.3049E+01 mv 1 30 93 -181 0 + 4 e 431 374 etot -8.0407E+01 mv 1 30 120 -2 0 + 4 e 331 383 etot -8.3037E+01 mv 1 30 8 -46 0 + 4 e 101 402 etot -8.9126E+01 mv 0 30 77 0 0 c 77 1.3 0.0 + 4 e 61 409 etot -8.4973E+01 mv 0 30 40 0 0 c 40 0.9 0.0 + 4 e 246 382 etot -8.3284E+01 mv 1 30 8 -69 0 + 4 e 258 381 etot -8.3284E+01 mv 1 30 8 -104 0 + 4 e 104 406 etot -8.6976E+01 mv 0 30 105 0 0 c 105 0.4 0.0 + 4 e 89 408 etot -8.5451E+01 mv 0 30 4 0 0 c 4 0.9 0.0 +## N0 total= 22 close= 15 far= 0 %acc 68.2 +## N1 total= 95 close= 7 far= 1 %acc 8.4 +## N2 total= 103 close= 13 far= 3 %acc 15.5 +## N3 total= 0 close= 0 far= 0 %acc 0.0 +## N4 total= 0 close= 0 far= 0 %acc 0.0 +## N5 total= 0 close= 0 far= 0 %acc 0.0 +## N6 total= 200 close= 27 far= 5 %acc 16.0 +## N7 total= 0 close= 0 far= 0 %acc 0.0 +## N8 total= 0 close= 0 far= 0 %acc 0.0 +## N9 total= 0 close= 0 far= 0 %acc 0.0 +##N10 total= 0 close= 0 far= 0 %acc 0.0 +##N11 total= 0 close= 0 far= 0 %acc 0.0 +##N12 total= 0 close= 0 far= 0 %acc 0.0 +##N13 total= 0 close= 0 far= 0 %acc 0.0 +##N14 total= 0 close= 0 far= 0 %acc 0.0 +##N15 total= 0 close= 0 far= 0 %acc 0.0 +##N16 total= 0 close= 0 far= 0 %acc 0.0 +##N17 total= 0 close= 0 far= 0 %acc 0.0 +##N18 total= 0 close= 0 far= 0 %acc 0.0 + Time for refresh 31 1.15 + make_var : nseed= 20 ntry= 420 + Time for make trial 32 0.05 +Nonsetup time 69.53 sec, Eval/s = 56777.41 +Time for iter 32 2.79 sec, Eval/s = 45280.09 + UPDATING 420 + 4 e 793 349 etot -8.1275E+01 mv 1 30 116 -79 0 + 4 e 81 419 etot -8.4833E+01 mv 0 30 183 0 0 + 4 e 89 420 etot -8.2809E+01 mv 0 30 145 0 0 c 145 1.2 0.0 + 4 e 152 405 etot -8.5737E+01 mv 0 30 102 0 0 + 4 e 131 410 etot -8.4181E+01 mv 0 30 116 0 0 c 116 0.7 0.0 + 4 e 520 392 etot -7.0334E+01 mv 1 30 183 -188 0 + 4 e 308 390 etot -8.2587E+01 mv 1 30 161 -144 0 + 4 e 109 413 etot -8.8225E+01 mv 0 30 98 0 0 c 98 1.2 0.0 + 4 e 349 398 etot -6.8862E+01 mv 1 30 145 -150 0 + 4 e 100 416 etot -8.3050E+01 mv 0 30 93 0 0 c 93 0.8 0.0 + 4 e 109 411 etot -8.3414E+01 mv 0 30 30 0 0 c 30 2.2 0.0 + 4 e 95 412 etot -8.3361E+01 mv 0 30 114 0 0 c 114 1.1 0.0 + 4 e 261 399 etot -7.5205E+01 mv 1 30 145 -71 0 + 4 e 160 414 etot -8.4786E+01 mv 0 30 128 0 0 + 4 e 137 407 etot -8.5666E+01 mv 0 30 82 0 0 + 4 e 423 400 etot -8.0613E+01 mv 1 30 145 -172 0 + 4 e 424 397 etot -8.3210E+01 mv 1 30 145 -6 0 c 145 240.1 0.4 + 4 e 633 363 etot -7.4711E+01 mv 1 30 98 -113 0 + 4 e 238 394 etot -8.6672E+01 mv 1 30 183 -142 0 + 4 e 204 393 etot -8.3194E+01 mv 1 30 183 -76 0 + 4 e 309 385 etot -8.2845E+01 mv 1 30 8 -175 0 + 4 e 469 373 etot -7.9978E+01 mv 1 30 120 -195 0 + 4 e 211 417 etot -8.3284E+01 mv 0 30 8 0 0 + 4 e 226 388 etot -6.6986E+01 mv 1 30 161 -167 0 + 4 e 116 418 etot -8.2880E+01 mv 0 30 161 0 0 + 4 e 142 401 etot -8.5216E+01 mv 0 30 199 0 0 + 4 e 665 360 etot -7.5155E+01 mv 1 30 114 -116 0 + 4 e 593 375 etot -8.1462E+01 mv 1 30 120 -193 0 + 4 e 325 387 etot -7.0503E+01 mv 1 30 161 -28 0 + 4 e 495 395 etot -8.3850E+01 mv 1 30 183 -49 0 + 4 e 180 415 etot -8.3092E+01 mv 0 30 120 0 0 c 120 1.5 0.0 + -1 e 1 1 etot 1.3529E+20 mv 6 31 197 22 0 + -1 e 1 14 etot 1.3528E+20 mv 6 31 33 70 0 + 4 e 152 27 etot -8.8732E+01 mv 6 31 115 163 0 + 4 e 168 4 etot -8.4336E+01 mv 6 31 197 11 0 + 4 e 180 16 etot -8.4397E+01 mv 6 31 33 159 0 + 4 e 204 8 etot -7.6856E+01 mv 6 31 197 131 0 + 4 e 228 11 etot -9.2233E+01 mv 6 31 33 182 0 + 4 e 253 13 etot -9.0080E+01 mv 6 31 33 187 0 + 4 e 282 3 etot -7.7784E+01 mv 6 31 197 167 0 + 4 e 272 2 etot -8.2890E+01 mv 6 31 197 175 0 + 4 e 286 26 etot -8.8732E+01 mv 6 31 115 95 0 + 4 e 275 7 etot -8.6687E+01 mv 6 31 197 129 0 c 20 60.8 0.1 + 4 e 281 19 etot -9.0080E+01 mv 6 31 33 63 0 + 4 e 318 25 etot -7.1616E+01 mv 6 31 115 155 0 + 4 e 288 12 etot -9.2233E+01 mv 6 31 33 13 0 + -1 e 1 46 etot 1.3528E+20 mv 6 31 49 4 0 + 4 e 293 15 etot -9.2233E+01 mv 6 31 33 119 0 + -1 e 1 47 etot 1.3528E+20 mv 6 31 49 47 0 + -1 e 1 48 etot 1.3528E+20 mv 6 31 49 165 0 + 4 e 317 17 etot -8.2311E+01 mv 6 31 33 47 0 + -1 e 1 51 etot 3.0968E+21 mv 6 31 199 31 0 + 4 e 352 32 etot -8.3225E+01 mv 6 31 66 12 0 f 50 282.5 0.9 + 4 e 330 6 etot -8.5604E+01 mv 6 31 197 4 0 + 4 e 365 24 etot -7.9284E+01 mv 6 31 115 105 0 + 4 e 371 9 etot -7.7896E+01 mv 6 31 197 19 0 + 4 e 378 18 etot -9.0080E+01 mv 6 31 33 86 0 + 4 e 169 41 etot -8.2738E+01 mv 6 31 49 95 0 c 95 1.1 0.0 + 4 e 204 29 etot -7.3441E+01 mv 6 31 115 180 0 + 4 e 288 35 etot -8.6405E+01 mv 6 31 66 173 0 + 4 e 313 34 etot -8.1161E+01 mv 6 31 66 118 0 + 4 e 229 23 etot -8.6806E+01 mv 6 31 115 10 0 + 4 e 443 10 etot -7.6530E+01 mv 6 31 197 182 0 + 4 e 186 42 etot -8.6144E+01 mv 6 31 49 2 0 + -1 e 1 64 etot 1.3528E+20 mv 6 31 48 151 0 + 4 e 287 36 etot -9.0085E+01 mv 6 31 66 68 0 c 68 113.8 2.0 + 4 e 312 39 etot -8.6404E+01 mv 6 31 66 169 0 + 4 e 232 45 etot -7.0109E+01 mv 6 31 49 13 0 + -1 e 1 68 etot 1.3528E+20 mv 6 31 48 35 0 + 4 e 160 57 etot -8.3486E+01 mv 6 31 199 142 0 + 4 e 273 22 etot -8.7227E+01 mv 6 31 115 82 0 + 4 e 223 56 etot -8.2513E+01 mv 6 31 199 12 0 + 4 e 225 58 etot -8.3258E+01 mv 6 31 199 182 0 + 4 e 649 33 etot -8.8285E+01 mv 6 31 66 95 0 c 46 5.7 0.0 + 4 e 434 37 etot -8.7821E+01 mv 6 31 66 40 0 + 4 e 392 50 etot -7.9923E+01 mv 6 31 49 23 0 + 4 e 426 49 etot -7.5476E+01 mv 6 31 49 145 0 + 4 e 612 5 etot -8.2823E+01 mv 6 31 197 89 0 + 4 e 264 55 etot -8.5570E+01 mv 6 31 199 22 0 + 4 e 343 44 etot -8.0316E+01 mv 6 31 49 3 0 + 4 e 462 53 etot -8.7457E+01 mv 6 31 199 179 0 + 4 e 262 63 etot -8.3049E+01 mv 6 31 48 109 0 + 4 e 509 38 etot -8.2707E+01 mv 6 31 66 103 0 + 4 e 329 30 etot -8.3636E+01 mv 6 31 115 42 0 + 4 e 334 21 etot -8.6692E+01 mv 6 31 115 86 0 + 4 e 256 67 etot -8.5814E+01 mv 6 31 48 81 0 + 4 e 398 54 etot -7.7211E+01 mv 6 31 199 122 0 + 4 e 654 40 etot -8.6167E+01 mv 6 31 66 137 0 + 4 e 443 43 etot -7.7306E+01 mv 6 31 49 157 0 + 4 e 373 31 etot -8.1415E+01 mv 6 31 66 162 0 + 4 e 365 20 etot -7.1183E+01 mv 6 31 33 109 0 + 4 e 267 72 etot -7.8214E+01 mv 6 31 180 103 0 + 4 e 388 28 etot -8.3321E+01 mv 6 31 115 11 0 + 4 e 58 92 etot -8.2900E+01 mv 6 31 133 126 0 c 126 0.4 0.0 + 4 e 265 69 etot -8.6015E+01 mv 6 31 48 184 0 c 137 177.2 2.9 + 4 e 301 76 etot -8.7579E+01 mv 6 31 180 88 0 c 178 35.0 0.0 + 4 e 248 78 etot -8.5111E+01 mv 6 31 180 81 0 + 4 e 258 81 etot -7.6015E+01 mv 6 31 18 140 0 + 4 e 386 74 etot -8.1975E+01 mv 6 31 180 56 0 + 4 e 270 80 etot -8.5173E+01 mv 6 31 180 145 0 c 180 3.3 0.0 + 4 e 388 70 etot -8.5134E+01 mv 6 31 48 86 0 + 4 e 204 89 etot -8.5859E+01 mv 6 31 18 2 0 + -1 e 1 102 etot 1.3528E+20 mv 6 31 183 139 0 + -1 e 1 103 etot 1.3528E+20 mv 6 31 183 188 0 + -1 e 1 104 etot 1.3528E+20 mv 6 31 183 104 0 + 4 e 227 87 etot -8.9027E+01 mv 6 31 18 101 0 + 4 e 521 60 etot -8.7152E+01 mv 6 31 199 200 0 + 4 e 312 82 etot -7.3434E+01 mv 6 31 18 100 0 + 4 e 630 52 etot -8.9158E+01 mv 6 31 199 15 0 c 15 117.1 1.3 + -1 e 1 108 etot 1.3528E+20 mv 6 31 183 62 0 + -1 e 1 110 etot 1.3528E+20 mv 6 31 183 45 0 + 4 e 413 75 etot -7.3016E+01 mv 6 31 180 7 0 + 4 e 481 73 etot -7.9335E+01 mv 6 31 180 158 0 + 4 e 484 66 etot -8.5135E+01 mv 6 31 48 95 0 + 4 e 214 62 etot -8.5426E+01 mv 6 31 48 93 0 c 48 46.3 0.1 + 4 e 462 77 etot -8.0433E+01 mv 6 31 180 83 0 + 4 e 485 61 etot -8.5424E+01 mv 6 31 48 115 0 + 4 e 513 65 etot -7.4415E+01 mv 6 31 48 56 0 + 4 e 515 83 etot -9.1399E+01 mv 6 31 18 13 0 + 4 e 404 79 etot -8.7116E+01 mv 6 31 180 56 0 + 4 e 336 96 etot -8.6649E+01 mv 6 31 133 104 0 + 4 e 318 98 etot -8.1498E+01 mv 6 31 133 149 0 + 4 e 239 95 etot -8.2297E+01 mv 6 31 133 36 0 + 4 e 210 114 etot -8.3049E+01 mv 6 31 161 59 0 + 4 e 478 88 etot -8.4295E+01 mv 6 31 18 90 0 + 4 e 256 105 etot -8.0229E+01 mv 6 31 183 151 0 + 4 e 258 109 etot -8.4874E+01 mv 6 31 183 70 0 + 4 e 522 86 etot -8.3928E+01 mv 6 31 18 165 0 + 4 e 264 112 etot -7.9309E+01 mv 6 31 161 1 0 + 4 e 375 97 etot -8.2656E+01 mv 6 31 133 128 0 + 4 e 321 100 etot -8.2006E+01 mv 6 31 133 40 0 + 4 e 330 101 etot -8.5753E+01 mv 6 31 183 133 0 + 4 e 310 107 etot -8.1504E+01 mv 6 31 183 96 0 + 4 e 341 106 etot -8.1233E+01 mv 6 31 183 185 0 + 4 e 258 116 etot -8.0992E+01 mv 6 31 161 132 0 + 4 e 287 71 etot -7.2558E+01 mv 6 31 180 45 0 + 4 e 509 94 etot -8.5064E+01 mv 6 31 133 105 0 + 4 e 367 111 etot -8.3812E+01 mv 6 31 161 59 0 + 4 e 360 59 etot -7.6802E+01 mv 6 31 199 150 0 + 4 e 236 91 etot -8.6274E+01 mv 6 31 133 124 0 + 4 e 383 113 etot -8.3990E+01 mv 6 31 161 181 0 + 4 e 475 99 etot -6.9764E+01 mv 6 31 133 86 0 + -1 e 1 142 etot 1.3528E+20 mv 6 31 58 84 0 + 4 e 177 115 etot -8.4296E+01 mv 6 31 161 44 0 + 4 e 195 122 etot -8.0367E+01 mv 6 31 54 32 0 + 4 e 229 124 etot -8.1455E+01 mv 6 31 54 168 0 + -1 e 1 146 etot 1.3528E+20 mv 6 31 58 112 0 + -1 e 1 147 etot 1.3528E+20 mv 6 31 58 25 0 + -1 e 1 148 etot 1.3528E+20 mv 6 31 58 65 0 + -1 e 1 149 etot 7.6493E+34 mv 6 31 58 84 0 + 4 e 227 93 etot -8.5194E+01 mv 6 31 133 62 0 + 4 e 291 85 etot -7.8877E+01 mv 6 31 18 71 0 + 4 e 390 119 etot -8.4957E+01 mv 6 31 161 20 0 + 4 e 243 120 etot -8.4585E+01 mv 6 31 161 11 0 + 4 e 338 127 etot -8.7793E+01 mv 6 31 54 3 0 c 54 4.3 0.0 + 4 e 394 121 etot -6.9302E+01 mv 6 31 54 70 0 + 4 e 374 128 etot -7.4633E+01 mv 6 31 54 5 0 + 4 e 230 141 etot -8.0529E+01 mv 6 31 58 39 0 + 4 e 373 129 etot -7.3627E+01 mv 6 31 54 45 0 + 4 e 234 143 etot -7.7227E+01 mv 6 31 58 156 0 + 4 e 449 125 etot -8.1766E+01 mv 6 31 54 91 0 + 4 e 375 118 etot -7.5615E+01 mv 6 31 161 178 0 + 4 e 201 144 etot -8.4457E+01 mv 6 31 58 1 0 + 4 e 349 130 etot -8.6390E+01 mv 6 31 54 91 0 + 4 e 350 123 etot -7.4361E+01 mv 6 31 54 148 0 + 4 e 458 132 etot -7.3673E+01 mv 6 31 134 163 0 + 4 e 434 134 etot -7.8429E+01 mv 6 31 134 57 0 + 4 e 419 138 etot -8.2786E+01 mv 6 31 134 170 0 + 4 e 237 153 etot -7.5999E+01 mv 6 31 16 81 0 + 4 e 189 156 etot -8.0792E+01 mv 6 31 16 29 0 + 4 e 197 157 etot -8.0924E+01 mv 6 31 16 199 0 + 4 e 507 135 etot -7.5047E+01 mv 6 31 134 6 0 + 4 e 228 152 etot -8.3972E+01 mv 6 31 16 81 0 + 4 e 563 131 etot -7.2482E+01 mv 6 31 134 200 0 + 4 e 390 150 etot -8.6189E+01 mv 6 31 58 116 0 c 84 231.4 0.8 + 4 e 242 159 etot -8.3972E+01 mv 6 31 16 176 0 + 4 e 209 161 etot -8.3213E+01 mv 6 31 177 166 0 + 4 e 573 137 etot -7.2783E+01 mv 6 31 134 62 0 + 4 e 394 90 etot -8.4509E+01 mv 6 31 18 200 0 f 162 299.1 2.2 + 4 e 595 117 etot -8.3331E+01 mv 6 31 161 38 0 + 4 e 395 140 etot -7.9918E+01 mv 6 31 134 193 0 + 4 e 266 164 etot -7.4177E+01 mv 6 31 177 190 0 + 4 e 570 145 etot -8.9185E+01 mv 6 31 58 106 0 c 197 137.1 2.9 + 4 e 167 171 etot -8.4020E+01 mv 6 31 153 97 0 + 4 e 683 126 etot -8.6505E+01 mv 6 31 54 88 0 + 4 e 314 139 etot -7.2444E+01 mv 6 31 134 62 0 + 4 e 331 154 etot -8.6055E+01 mv 6 31 16 153 0 + 4 e 467 136 etot -7.6923E+01 mv 6 31 134 98 0 + 4 e 221 172 etot -8.3606E+01 mv 6 31 153 127 0 + -1 e 1 189 etot 1.3528E+20 mv 6 31 196 178 0 + 4 e 451 158 etot -8.6113E+01 mv 6 31 16 78 0 + 4 e 661 133 etot -8.1889E+01 mv 6 31 134 165 0 + 4 e 512 155 etot -7.3249E+01 mv 6 31 16 120 0 + 4 e 256 163 etot -8.3173E+01 mv 6 31 177 149 0 f 43 299.4 0.8 + 4 e 252 174 etot -7.9007E+01 mv 6 31 153 111 0 + 4 e 588 84 etot -9.2232E+01 mv 6 31 18 190 0 + 4 e 393 166 etot -7.7361E+01 mv 6 31 177 24 0 + 4 e 487 160 etot -7.5967E+01 mv 6 31 16 105 0 + 4 e 289 175 etot -8.4972E+01 mv 6 31 153 141 0 + 4 e 337 168 etot -8.1372E+01 mv 6 31 177 72 0 + 4 e 149 180 etot -8.3606E+01 mv 6 31 153 10 0 + 4 e 260 178 etot -7.7111E+01 mv 6 31 153 61 0 + 4 e 286 177 etot -8.3699E+01 mv 6 31 153 167 0 + -1 e 1 203 etot 1.3528E+20 mv 2 31 197 -42 0 + 4 e 312 165 etot -7.8588E+01 mv 6 31 177 122 0 + 4 e 415 169 etot -7.7788E+01 mv 6 31 177 122 0 + 4 e 358 162 etot -8.3856E+01 mv 6 31 177 54 0 + 4 e 239 185 etot -8.3604E+01 mv 6 31 196 46 0 + 4 e 444 170 etot -8.2237E+01 mv 6 31 177 179 0 + 4 e 279 173 etot -8.3680E+01 mv 6 31 153 148 0 + 4 e 182 190 etot -8.2719E+01 mv 6 31 196 56 0 + 4 e 258 184 etot -8.0476E+01 mv 6 31 196 135 0 + 4 e 405 176 etot -7.9325E+01 mv 6 31 153 35 0 + 4 e 286 182 etot -8.4252E+01 mv 6 31 196 25 0 + 4 e 287 183 etot -8.5729E+01 mv 6 31 196 42 0 + 4 e 154 187 etot -8.2719E+01 mv 6 31 196 119 0 + 4 e 276 151 etot -7.7556E+01 mv 6 31 16 44 0 + 4 e 171 197 etot -7.6283E+01 mv 6 31 8 129 0 + -1 e 1 218 etot 1.3528E+20 mv 2 31 66 -99 0 + 4 e 163 199 etot -8.3284E+01 mv 6 31 8 135 0 + 4 e 208 195 etot -8.8386E+01 mv 6 31 8 46 0 c 46 132.1 0.1 + 4 e 274 181 etot -8.4644E+01 mv 6 31 196 128 0 + 4 e 136 179 etot -8.4701E+01 mv 6 31 153 193 0 + 4 e 303 192 etot -8.0419E+01 mv 6 31 8 108 0 + 4 e 145 205 etot -8.6293E+01 mv 2 31 197 -121 0 + 4 e 184 211 etot -8.8153E+01 mv 2 31 115 -188 0 c 115 3.5 0.0 + 4 e 178 201 etot -8.6292E+01 mv 2 31 197 -64 0 + -1 e 1 227 etot 1.3528E+20 mv 2 31 199 -126 0 + 4 e 336 198 etot -7.3120E+01 mv 6 31 8 155 0 + 4 e 290 200 etot -8.3884E+01 mv 6 31 8 146 0 c 8 86.6 0.6 + 4 e 369 193 etot -8.3868E+01 mv 6 31 8 24 0 + 4 e 384 191 etot -8.4152E+01 mv 6 31 8 114 0 + 4 e 708 167 etot -8.9103E+01 mv 6 31 177 196 0 + 4 e 272 196 etot -8.3815E+01 mv 6 31 8 171 0 + 4 e 294 188 etot -8.5580E+01 mv 6 31 196 26 0 c 26 166.7 0.4 + 4 e 296 194 etot -8.1517E+01 mv 6 31 8 23 0 + 4 e 257 214 etot -8.7290E+01 mv 2 31 115 -34 0 + -1 e 1 237 etot 1.3528E+20 mv 2 31 180 -133 0 + 4 e 374 202 etot -8.2545E+01 mv 2 31 197 -180 0 + 4 e 239 221 etot -8.4302E+01 mv 2 31 49 -88 0 + 4 e 312 209 etot -7.4348E+01 mv 2 31 33 -169 0 + 4 e 211 216 etot -8.6108E+01 mv 2 31 66 -109 0 + -1 e 1 242 etot 1.3528E+20 mv 2 31 18 -38 0 + -1 e 1 243 etot 1.3528E+20 mv 2 31 18 -170 0 + 4 e 208 224 etot -8.4804E+01 mv 2 31 49 -159 0 + 4 e 341 213 etot -7.7402E+01 mv 2 31 115 -154 0 + 4 e 340 215 etot -8.0401E+01 mv 2 31 115 -184 0 + 4 e 149 225 etot -8.6144E+01 mv 2 31 49 -20 0 c 49 1.3 0.0 + 4 e 195 217 etot -7.1951E+01 mv 2 31 66 -60 0 + 4 e 168 233 etot -6.6386E+01 mv 2 31 48 -47 0 + 4 e 450 206 etot -9.0073E+01 mv 2 31 33 -154 0 + 4 e 228 229 etot -8.4146E+01 mv 2 31 199 -41 0 + 4 e 295 210 etot 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58 -24 0 + 4 e 376 290 etot -7.9110E+01 mv 2 31 153 -114 0 + 4 e 435 286 etot -7.7357E+01 mv 2 31 153 -84 0 + 4 e 395 291 etot -8.1287E+01 mv 2 31 196 -151 0 + 4 e 363 294 etot -8.3640E+01 mv 2 31 196 -29 0 + 4 e 400 289 etot -7.7053E+01 mv 2 31 153 -64 0 + -1 e 1 317 etot 1.3528E+20 mv 1 31 66 -88 0 + 4 e 286 288 etot -7.2931E+01 mv 2 31 153 -159 0 + 4 e 401 276 etot -7.5286E+01 mv 2 31 16 -119 0 + 4 e 273 300 etot -8.1731E+01 mv 2 31 8 -97 0 + 4 e 691 266 etot -8.3547E+01 mv 2 31 134 -127 0 + 4 e 174 309 etot -8.8622E+01 mv 1 31 33 -86 0 + 4 e 306 303 etot -7.3474E+01 mv 1 31 197 -169 0 + 4 e 438 292 etot -8.4987E+01 mv 2 31 196 -4 0 + 4 e 579 283 etot -7.3982E+01 mv 2 31 177 -138 0 + 4 e 338 302 etot -8.4207E+01 mv 1 31 197 -9 0 + 4 e 383 297 etot -7.6559E+01 mv 2 31 8 -86 0 + -1 e 1 328 etot 1.3528E+20 mv 1 31 199 -31 0 + 4 e 471 282 etot -7.6905E+01 mv 2 31 177 -36 0 + 4 e 236 311 etot -8.5087E+01 mv 1 31 115 -88 0 + 4 e 291 304 etot -8.0360E+01 mv 1 31 197 -91 0 + -1 e 1 332 etot 2.1759E+23 mv 1 31 48 -91 0 + 4 e 257 312 etot -7.5441E+01 mv 1 31 115 -3 0 + 4 e 674 287 etot -6.9409E+01 mv 2 31 153 -167 0 + 4 e 314 301 etot -8.6293E+01 mv 1 31 197 -149 0 + 4 e 487 284 etot -8.1827E+01 mv 2 31 177 -76 0 + 4 e 272 315 etot -7.5456E+01 mv 1 31 115 -29 0 + -1 e 1 338 etot 1.3528E+20 mv 1 31 180 -152 0 + 4 e 631 293 etot -7.8321E+01 mv 2 31 196 -116 0 + 4 e 270 316 etot -8.6404E+01 mv 1 31 66 -174 0 + 4 e 450 307 etot -8.4742E+01 mv 1 31 33 -158 0 + 4 e 289 314 etot -8.8153E+01 mv 1 31 115 -136 0 + 4 e 218 322 etot -7.2258E+01 mv 1 31 49 -41 0 + 4 e 192 326 etot -8.5570E+01 mv 1 31 199 -7 0 c 199 2.3 0.0 + 4 e 267 310 etot -9.0080E+01 mv 1 31 33 -10 0 c 33 2.3 0.0 + 4 e 255 321 etot -8.6143E+01 mv 1 31 49 -96 0 + 4 e 736 262 etot -7.9489E+01 mv 2 31 54 -101 0 + 4 e 412 299 etot -8.5991E+01 mv 2 31 8 -160 0 + 4 e 287 323 etot -8.6144E+01 mv 1 31 49 -104 0 + 4 e 374 308 etot -7.9531E+01 mv 1 31 33 -145 0 + 8 e 86 347 etot -6.3987E+01 mv 1 31 133 -192 0 + 4 e 130 345 etot -8.6595E+01 mv 1 31 18 -30 0 + -1 e 1 353 etot 1.3528E+20 mv 1 31 183 -91 0 + 4 e 415 318 etot -8.2315E+01 mv 1 31 66 -106 0 + 4 e 692 298 etot -8.1588E+01 mv 2 31 8 -160 0 + 4 e 450 313 etot -8.8152E+01 mv 1 31 115 -109 0 + 4 e 436 305 etot -8.6291E+01 mv 1 31 197 -75 0 + 4 e 253 331 etot -8.5425E+01 mv 1 31 48 -124 0 + 4 e 334 327 etot -8.4146E+01 mv 1 31 199 -100 0 + 4 e 189 339 etot -7.0789E+01 mv 1 31 180 -8 0 + 4 e 298 320 etot -8.4344E+01 mv 1 31 66 -121 0 + 4 e 384 325 etot -8.4932E+01 mv 1 31 49 -74 0 + 4 e 341 329 etot -7.9050E+01 mv 1 31 199 -133 0 + 4 e 168 336 etot -8.5174E+01 mv 1 31 180 -53 0 c 180 2.2 0.0 + 4 e 431 324 etot -8.2422E+01 mv 1 31 49 -152 0 + 4 e 481 306 etot -9.0079E+01 mv 1 31 33 -29 0 + 8 e 119 359 etot -6.3995E+01 mv 1 31 161 -111 0 + 4 e 206 350 etot -8.6706E+01 mv 1 31 133 -150 0 + 4 e 376 335 etot -8.5424E+01 mv 1 31 48 -120 0 + 4 e 405 319 etot -6.4684E+01 mv 1 31 66 -124 0 + -1 e 1 371 etot 1.3528E+20 mv 1 31 58 -190 0 + 4 e 179 360 etot -8.3243E+01 mv 1 31 161 -196 0 + 4 e 362 341 etot -8.7194E+01 mv 1 31 18 -66 0 + 4 e 159 351 etot -8.5001E+01 mv 1 31 183 -21 0 c 183 1.4 0.0 + 4 e 305 333 etot -7.3969E+01 mv 1 31 48 -90 0 + 4 e 329 330 etot -8.3991E+01 mv 1 31 199 -23 0 + 4 e 247 354 etot -6.4530E+01 mv 1 31 183 -79 0 + 4 e 267 346 etot -8.6136E+01 mv 1 31 133 -63 0 + 4 e 428 342 etot -7.7050E+01 mv 1 31 18 -139 0 + 4 e 292 355 etot -7.9510E+01 mv 1 31 183 -56 0 + 4 e 430 344 etot -8.3897E+01 mv 1 31 18 -2 0 f 79 311.5 1.5 + 4 e 296 357 etot -7.5551E+01 mv 1 31 161 -177 0 + 4 e 254 348 etot -7.0987E+01 mv 1 31 133 -40 0 + -1 e 1 384 etot 1.3528E+20 mv 1 31 177 -74 0 + 4 e 170 365 etot -8.7794E+01 mv 1 31 54 -13 0 + 4 e 521 334 etot -7.9002E+01 mv 1 31 48 -69 0 + 4 e 334 356 etot -8.3904E+01 mv 1 31 161 -178 0 + 4 e 293 364 etot -8.7792E+01 mv 1 31 54 -154 0 + 4 e 527 343 etot -8.7193E+01 mv 1 31 18 -133 0 + 4 e 298 366 etot -8.3406E+01 mv 1 31 134 -130 0 + 4 e 271 358 etot -8.4605E+01 mv 1 31 161 -10 0 + 4 e 268 368 etot -7.1591E+01 mv 1 31 134 -195 0 + 4 e 343 349 etot -7.2948E+01 mv 1 31 133 -108 0 + 4 e 593 340 etot -8.5170E+01 mv 1 31 180 -125 0 + 4 e 230 374 etot -7.1072E+01 mv 1 31 58 -109 0 + 4 e 311 369 etot -7.1096E+01 mv 1 31 134 -161 0 + 4 e 437 361 etot -8.6446E+01 mv 1 31 54 -5 0 + 4 e 126 390 etot -8.3606E+01 mv 1 31 153 -29 0 + 4 e 555 352 etot -7.6075E+01 mv 1 31 183 -140 0 + 4 e 206 375 etot -8.4457E+01 mv 1 31 58 -43 0 + 4 e 223 387 etot -7.1684E+01 mv 1 31 153 -183 0 + 4 e 210 388 etot -8.3414E+01 mv 1 31 153 -2 0 + 4 e 266 380 etot -8.4112E+01 mv 1 31 16 -95 0 c 165 183.4 1.6 + 4 e 391 370 etot -8.4602E+01 mv 1 31 134 -113 0 + 4 e 279 381 etot -8.4598E+01 mv 1 31 177 -181 0 c 177 2.9 0.0 + 4 e 164 393 etot -8.3641E+01 mv 1 31 196 -145 0 + 4 e 538 337 etot -7.6927E+01 mv 1 31 180 -72 0 + 4 e 253 389 etot -7.7417E+01 mv 1 31 153 -86 0 + 4 e 546 363 etot -8.7791E+01 mv 1 31 54 -23 0 + 4 e 233 391 etot -8.4161E+01 mv 1 31 196 -150 0 c 196 14.7 0.5 + 4 e 74 405 etot -8.6144E+01 mv 0 31 49 0 0 c 49 1.0 0.0 + 4 e 91 402 etot -9.0081E+01 mv 0 31 33 0 0 c 33 1.1 0.0 + 4 e 343 383 etot -8.3750E+01 mv 1 31 177 -137 0 + 4 e 104 404 etot -8.6405E+01 mv 0 31 66 0 0 c 66 0.6 0.0 + 4 e 490 373 etot -6.6715E+01 mv 1 31 58 -149 0 + 4 e 117 403 etot -8.8153E+01 mv 0 31 115 0 0 c 115 1.2 0.0 + 4 e 244 385 etot -8.4598E+01 mv 1 31 177 -10 0 + 4 e 211 398 etot -8.4196E+01 mv 1 31 8 -13 0 f 117 311.7 1.8 + 4 e 383 382 etot -7.0975E+01 mv 1 31 177 -133 0 +## N0 total= 18 close= 11 far= 0 %acc 61.1 +## N1 total= 102 close= 8 far= 2 %acc 9.8 +## N2 total= 100 close= 7 far= 1 %acc 8.0 +## N3 total= 0 close= 0 far= 0 %acc 0.0 +## N4 total= 0 close= 0 far= 0 %acc 0.0 +## N5 total= 0 close= 0 far= 0 %acc 0.0 +## N6 total= 200 close= 17 far= 3 %acc 10.0 +## N7 total= 0 close= 0 far= 0 %acc 0.0 +## N8 total= 0 close= 0 far= 0 %acc 0.0 +## N9 total= 0 close= 0 far= 0 %acc 0.0 +##N10 total= 0 close= 0 far= 0 %acc 0.0 +##N11 total= 0 close= 0 far= 0 %acc 0.0 +##N12 total= 0 close= 0 far= 0 %acc 0.0 +##N13 total= 0 close= 0 far= 0 %acc 0.0 +##N14 total= 0 close= 0 far= 0 %acc 0.0 +##N15 total= 0 close= 0 far= 0 %acc 0.0 +##N16 total= 0 close= 0 far= 0 %acc 0.0 +##N17 total= 0 close= 0 far= 0 %acc 0.0 +##N18 total= 0 close= 0 far= 0 %acc 0.0 + Time for refresh 32 0.73 + make_var : nseed= 20 ntry= 420 + Time for make trial 33 0.07 +Nonsetup time 71.86 sec, Eval/s = 56605.08 +Time for iter 33 2.33 sec, Eval/s = 51467.15 + UPDATING 420 + 4 e 91 415 etot -8.4458E+01 mv 0 31 58 0 0 c 58 1.3 0.0 + 4 e 129 414 etot -8.4603E+01 mv 0 31 134 0 0 c 134 1.5 0.0 + 4 e 67 419 etot -8.3641E+01 mv 0 31 196 0 0 + 4 e 506 397 etot -7.2961E+01 mv 1 31 8 -59 0 + 4 e 60 416 etot -8.3973E+01 mv 0 31 16 0 0 c 16 0.4 0.0 + 4 e 387 399 etot -8.3283E+01 mv 1 31 8 -124 0 + 4 e 103 413 etot -8.7794E+01 mv 0 31 54 0 0 + 4 e 132 406 etot -8.5571E+01 mv 0 31 199 0 0 c 199 1.3 0.0 + 4 e 109 412 etot -8.4958E+01 mv 0 31 161 0 0 c 161 0.6 0.0 + 4 e 41 420 etot -8.3284E+01 mv 0 31 8 0 0 + 4 e 280 407 etot -8.5426E+01 mv 0 31 48 0 0 + 4 e 348 400 etot -7.2224E+01 mv 1 31 8 -7 0 + 4 e 134 409 etot -8.7195E+01 mv 0 31 18 0 0 c 18 3.5 0.0 + 4 e 83 411 etot -8.5001E+01 mv 0 31 183 0 0 c 183 0.4 0.0 + 4 e 546 395 etot -8.2969E+01 mv 1 31 196 -151 0 c 23 9.1 0.0 + 4 e 474 378 etot -7.8554E+01 mv 1 31 16 -9 0 + 4 e 115 410 etot -8.6706E+01 mv 0 31 133 0 0 c 133 1.3 0.0 + -1 e 1 8 etot 1.3528E+20 mv 6 32 104 2 0 + 4 e 419 396 etot -8.3467E+01 mv 1 31 8 -70 0 f 154 396.6 1.0 + 4 e 128 417 etot -8.4598E+01 mv 0 31 177 0 0 c 177 1.3 0.0 + 4 e 529 362 etot -7.0720E+01 mv 1 31 54 -107 0 + 4 e 318 386 etot -8.3606E+01 mv 1 31 153 -106 0 + 4 e 77 408 etot -8.5174E+01 mv 0 31 180 0 0 c 180 0.8 0.0 + 4 e 429 376 etot -8.3986E+01 mv 1 31 16 -97 0 c 16 55.9 0.0 + 4 e 530 377 etot -8.3086E+01 mv 1 31 16 -115 0 + 4 e 159 401 etot -8.6293E+01 mv 0 31 197 0 0 + 4 e 26 418 etot -8.3606E+01 mv 0 31 153 0 0 c 153 0.0 0.0 + 4 e 456 367 etot -7.6051E+01 mv 1 31 134 -173 0 + 4 e 189 394 etot -8.3273E+01 mv 1 31 196 -123 0 + 4 e 359 392 etot -8.2737E+01 mv 1 31 196 -91 0 + 4 e 571 372 etot -7.6407E+01 mv 1 31 58 -170 0 + 4 e 295 379 etot -8.2198E+01 mv 1 31 16 -79 0 + -1 e 1 21 etot 1.3528E+20 mv 6 32 197 124 0 + -1 e 1 22 etot 1.3528E+20 mv 6 32 197 30 0 + -1 e 1 31 etot 1.3528E+20 mv 6 32 178 52 0 + 4 e 63 2 etot -8.5443E+01 mv 6 32 104 28 0 c 28 0.1 0.0 + 4 e 135 13 etot -7.8442E+01 mv 6 32 54 2 0 + 4 e 146 19 etot -6.9158E+01 mv 6 32 54 127 0 + -1 e 1 38 etot 7.4975E+24 mv 6 32 178 64 0 + 4 e 147 4 etot -8.9060E+01 mv 6 32 104 179 0 + 4 e 147 16 etot -8.5444E+01 mv 6 32 54 56 0 + 4 e 222 1 etot -8.2468E+01 mv 6 32 104 149 0 c 149 8.9 0.0 + 4 e 231 18 etot -6.9160E+01 mv 6 32 54 82 0 + 4 e 244 9 etot -8.9060E+01 mv 6 32 104 164 0 + 4 e 265 14 etot -7.2098E+01 mv 6 32 54 172 0 + 4 e 257 3 etot -8.9059E+01 mv 6 32 104 84 0 + 4 e 268 10 etot -8.8702E+01 mv 6 32 104 183 0 + 4 e 294 17 etot -8.2436E+01 mv 6 32 54 87 0 + 4 e 157 32 etot -7.0413E+01 mv 6 32 178 55 0 + 4 e 315 28 etot -8.9187E+01 mv 6 32 197 52 0 c 197 3.6 0.0 + 4 e 300 20 etot -8.6659E+01 mv 6 32 54 44 0 + 4 e 338 26 etot -8.0840E+01 mv 6 32 197 16 0 + 4 e 156 42 etot -8.8123E+01 mv 6 32 174 29 0 + 4 e 336 12 etot -8.8066E+01 mv 6 32 54 196 0 + -1 e 1 54 etot 1.3528E+20 mv 6 32 84 188 0 + 4 e 329 15 etot -9.0746E+01 mv 6 32 54 63 0 + -1 e 1 56 etot 1.3528E+20 mv 6 32 84 77 0 + 4 e 305 6 etot -8.3475E+01 mv 6 32 104 62 0 + 4 e 368 11 etot -8.0013E+01 mv 6 32 54 128 0 + 4 e 161 46 etot -8.5546E+01 mv 6 32 174 66 0 + -1 e 1 59 etot 1.3528E+20 mv 6 32 84 155 0 + 4 e 384 5 etot -8.9059E+01 mv 6 32 104 166 0 + -1 e 1 62 etot 1.3528E+20 mv 6 32 102 29 0 + 4 e 395 36 etot -8.6018E+01 mv 6 32 178 44 0 + -1 e 1 64 etot 1.3528E+20 mv 6 32 102 42 0 + 4 e 242 41 etot -8.8123E+01 mv 6 32 174 40 0 + 4 e 373 7 etot -8.8062E+01 mv 6 32 104 115 0 + -1 e 1 67 etot 1.3528E+20 mv 6 32 102 183 0 + 4 e 428 27 etot -7.3369E+01 mv 6 32 197 107 0 + 4 e 275 37 etot -8.5173E+01 mv 6 32 178 94 0 + 4 e 433 25 etot -7.8134E+01 mv 6 32 197 50 0 + 4 e 147 55 etot -6.9892E+01 mv 6 32 84 160 0 + 4 e 244 45 etot -7.6679E+01 mv 6 32 174 132 0 + -1 e 1 73 etot 1.3528E+20 mv 6 32 9 109 0 + 4 e 350 39 etot -7.7427E+01 mv 6 32 178 161 0 + 4 e 275 44 etot -8.4705E+01 mv 6 32 174 85 0 + 4 e 276 24 etot -8.9187E+01 mv 6 32 197 84 0 c 197 1.7 0.0 + 4 e 242 60 etot -8.6160E+01 mv 6 32 84 1 0 + 4 e 259 34 etot -8.4457E+01 mv 6 32 178 58 0 + 4 e 251 57 etot -8.6190E+01 mv 6 32 84 128 0 c 84 4.3 0.0 + 4 e 147 49 etot -7.6568E+01 mv 6 32 174 33 0 + 4 e 298 61 etot -8.1375E+01 mv 6 32 102 49 0 + 4 e 306 30 etot -8.8221E+01 mv 6 32 197 112 0 + 4 e 442 43 etot -8.5450E+01 mv 6 32 174 4 0 + 4 e 212 68 etot -8.5063E+01 mv 6 32 102 129 0 + 4 e 303 70 etot -8.4657E+01 mv 6 32 102 178 0 + -1 e 1 86 etot 1.3528E+20 mv 6 32 124 25 0 + 4 e 295 52 etot -8.6189E+01 mv 6 32 84 29 0 + -1 e 1 88 etot 1.3528E+20 mv 6 32 124 16 0 + 4 e 487 40 etot -7.6690E+01 mv 6 32 178 34 0 + 4 e 460 47 etot -7.4144E+01 mv 6 32 174 178 0 + 4 e 269 69 etot -7.7356E+01 mv 6 32 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etot -7.5646E+01 mv 1 32 23 -94 0 + 4 e 17 409 etot -8.4391E+01 mv 0 32 124 0 0 + 4 e 359 370 etot -6.7083E+01 mv 1 32 79 -186 0 + 4 e 380 378 etot -8.0275E+01 mv 1 32 168 -63 0 + 4 e 260 390 etot -8.0934E+01 mv 1 32 43 -55 0 + 4 e 401 380 etot -6.7258E+01 mv 1 32 168 -176 0 + 4 e 367 371 etot -8.1932E+01 mv 1 32 8 -25 0 + 4 e 453 377 etot -7.6107E+01 mv 1 32 168 -113 0 +## N0 total= 19 close= 13 far= 0 %acc 68.4 +## N1 total= 101 close= 5 far= 1 %acc 5.9 +## N2 total= 100 close= 8 far= 3 %acc 11.0 +## N3 total= 0 close= 0 far= 0 %acc 0.0 +## N4 total= 0 close= 0 far= 0 %acc 0.0 +## N5 total= 0 close= 0 far= 0 %acc 0.0 +## N6 total= 200 close= 26 far= 2 %acc 14.0 +## N7 total= 0 close= 0 far= 0 %acc 0.0 +## N8 total= 0 close= 0 far= 0 %acc 0.0 +## N9 total= 0 close= 0 far= 0 %acc 0.0 +##N10 total= 0 close= 0 far= 0 %acc 0.0 +##N11 total= 0 close= 0 far= 0 %acc 0.0 +##N12 total= 0 close= 0 far= 0 %acc 0.0 +##N13 total= 0 close= 0 far= 0 %acc 0.0 +##N14 total= 0 close= 0 far= 0 %acc 0.0 +##N15 total= 0 close= 0 far= 0 %acc 0.0 +##N16 total= 0 close= 0 far= 0 %acc 0.0 +##N17 total= 0 close= 0 far= 0 %acc 0.0 +##N18 total= 0 close= 0 far= 0 %acc 0.0 + Time for refresh 33 0.44 + make_var : nseed= 20 ntry= 420 + Time for make trial 34 0.10 +Nonsetup time 73.89 sec, Eval/s = 56658.03 +Time for iter 34 2.03 sec, Eval/s = 58534.72 + UPDATING 420 + 4 e 144 404 etot -8.7580E+01 mv 0 32 178 0 0 c 178 1.2 0.0 + 4 e 114 414 etot -8.3898E+01 mv 0 32 79 0 0 + 4 e 104 416 etot -8.3247E+01 mv 0 32 168 0 0 + 4 e 64 411 etot -8.6687E+01 mv 0 32 20 0 0 + 4 e 91 413 etot -8.4112E+01 mv 0 32 165 0 0 + 4 e 296 387 etot -8.2654E+01 mv 1 32 43 -152 0 + 4 e 116 420 etot -8.5426E+01 mv 0 32 48 0 0 c 48 0.8 0.0 + 4 e 88 417 etot -8.3210E+01 mv 0 32 145 0 0 c 145 1.4 0.0 + 4 e 429 383 etot -6.8888E+01 mv 1 32 145 -135 0 + 4 e 574 368 etot -8.3788E+01 mv 1 32 79 -87 0 + -1 e 1 3 etot 1.3528E+20 mv 6 33 174 196 0 + -1 e 1 4 etot 1.3528E+20 mv 6 33 174 38 0 + 4 e 112 418 etot -8.3174E+01 mv 0 32 43 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etot -8.5016E+01 mv 6 33 60 113 0 + 4 e 366 71 etot -7.6717E+01 mv 6 33 26 171 0 + 4 e 310 89 etot -8.2319E+01 mv 6 33 79 10 0 + 4 e 283 93 etot -8.1211E+01 mv 6 33 9 179 0 + 4 e 298 91 etot -6.9503E+01 mv 6 33 9 42 0 + 4 e 460 80 etot -8.2280E+01 mv 6 33 26 74 0 + 4 e 335 85 etot -8.6947E+01 mv 6 33 79 119 0 + 4 e 156 96 etot -8.3508E+01 mv 6 33 9 129 0 + 8 e 5 121 etot -6.3991E+01 mv 6 33 81 141 0 + 4 e 478 75 etot -8.0522E+01 mv 6 33 26 142 0 + 4 e 214 100 etot -7.5944E+01 mv 6 33 9 95 0 + 4 e 169 108 etot -7.6153E+01 mv 6 33 162 64 0 + 4 e 205 104 etot -8.4967E+01 mv 6 33 162 132 0 c 162 79.8 0.5 + 4 e 351 94 etot -8.3941E+01 mv 6 33 9 8 0 + 4 e 346 97 etot -7.7822E+01 mv 6 33 9 11 0 + 4 e 263 106 etot -8.6737E+01 mv 6 33 162 101 0 + 4 e 209 115 etot -7.0804E+01 mv 6 33 165 122 0 + 4 e 352 98 etot -8.7565E+01 mv 6 33 9 175 0 + 4 e 519 22 etot -8.7975E+01 mv 6 33 117 181 0 c 117 98.2 0.7 + 4 e 354 101 etot -7.3692E+01 mv 6 33 162 71 0 + 4 e 219 117 etot -8.2210E+01 mv 6 33 165 10 0 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etot -8.3227E+01 mv 6 33 165 131 0 c 131 88.3 0.7 + 4 e 503 116 etot -7.8427E+01 mv 6 33 165 101 0 + 4 e 344 145 etot -8.4457E+01 mv 6 33 196 58 0 + -1 e 1 178 etot 1.3528E+20 mv 6 33 12 75 0 + 4 e 230 158 etot -8.8630E+01 mv 6 33 63 181 0 + -1 e 1 180 etot 1.3528E+20 mv 6 33 12 41 0 + 4 e 376 146 etot -8.4160E+01 mv 6 33 196 165 0 + 4 e 374 144 etot -8.1999E+01 mv 6 33 196 87 0 + 4 e 287 156 etot -8.8629E+01 mv 6 33 63 187 0 + -1 e 1 183 etot 1.3528E+20 mv 6 33 138 25 0 + -1 e 1 185 etot 1.3528E+20 mv 6 33 138 109 0 + 4 e 581 105 etot -8.3994E+01 mv 6 33 162 195 0 + 4 e 312 154 etot -8.4907E+01 mv 6 33 63 3 0 + 4 e 252 137 etot -8.4426E+01 mv 6 33 43 16 0 + 4 e 477 139 etot -7.9973E+01 mv 6 33 43 95 0 + 4 e 238 150 etot -7.7227E+01 mv 6 33 196 156 0 + 4 e 556 135 etot -7.6274E+01 mv 6 33 43 40 0 + 4 e 201 164 etot -7.6042E+01 mv 6 33 8 195 0 + 4 e 207 169 etot -7.2676E+01 mv 6 33 8 59 0 + 4 e 415 149 etot -7.9114E+01 mv 6 33 196 26 0 + -1 e 1 195 etot 1.3528E+20 mv 6 33 154 99 0 + 4 e 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217 342 etot -8.5238E+01 mv 1 33 79 -42 0 + 4 e 347 326 etot -8.5377E+01 mv 1 33 124 -68 0 + 4 e 206 346 etot -8.5030E+01 mv 1 33 9 -189 0 + 4 e 366 327 etot -7.8921E+01 mv 1 33 124 -134 0 + 4 e 239 329 etot -6.9768E+01 mv 1 33 124 -143 0 + 4 e 291 338 etot -8.0319E+01 mv 1 33 26 -120 0 + 4 e 564 296 etot -8.5946E+01 mv 2 33 154 -111 0 c 154 42.7 2.5 + 4 e 561 291 etot -4.7752E+01 mv 2 33 138 -63 0 + 4 e 371 333 etot -7.1573E+01 mv 1 33 60 -123 0 + 4 e 473 323 etot -8.7581E+01 mv 1 33 193 -187 0 + 4 e 401 332 etot -7.9671E+01 mv 1 33 60 -49 0 + -1 e 1 368 etot 1.3528E+20 mv 1 33 43 -102 0 + 4 e 174 351 etot -8.4510E+01 mv 1 33 162 -60 0 + 4 e 328 343 etot -7.5687E+01 mv 1 33 79 -95 0 + 4 e 417 317 etot -8.9943E+01 mv 1 33 6 -70 0 + 4 e 301 335 etot -8.5789E+01 mv 1 33 60 -181 0 + 4 e 417 337 etot -7.1778E+01 mv 1 33 26 -52 0 + 4 e 302 334 etot -8.6018E+01 mv 1 33 60 -151 0 c 60 80.0 0.2 + 4 e 332 350 etot -8.4627E+01 mv 1 33 9 -64 0 + 4 e 314 353 etot -7.5098E+01 mv 1 33 162 -84 0 + 4 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-8.8086E+01 mv 1 33 193 -76 0 + 4 e 160 384 etot -8.3979E+01 mv 1 33 8 -12 0 c 8 1.2 0.0 + 4 e 250 379 etot -8.8629E+01 mv 1 33 63 -89 0 + 4 e 220 370 etot -8.4426E+01 mv 1 33 43 -195 0 + 4 e 150 387 etot -7.6510E+01 mv 1 33 12 -43 0 + 4 e 460 360 etot -7.8171E+01 mv 1 33 165 -128 0 + 4 e 283 381 etot -7.7258E+01 mv 1 33 8 -85 0 + 4 e 316 377 etot -7.5079E+01 mv 1 33 63 -24 0 + 4 e 401 354 etot -8.0881E+01 mv 1 33 162 -49 0 + 4 e 243 375 etot -7.6336E+01 mv 1 33 196 -132 0 + 4 e 274 385 etot -8.3979E+01 mv 1 33 8 -25 0 + 4 e 95 402 etot -8.8950E+01 mv 0 33 27 0 0 c 27 0.4 0.0 + 4 e 317 383 etot -8.1342E+01 mv 1 33 8 -61 0 + 4 e 430 374 etot -8.0031E+01 mv 1 33 196 -135 0 + 4 e 353 364 etot -7.7793E+01 mv 1 33 81 -194 0 + 4 e 117 403 etot -8.7234E+01 mv 0 33 117 0 0 + 4 e 277 380 etot -8.8629E+01 mv 1 33 63 -82 0 + 4 e 69 406 etot -8.6048E+01 mv 0 33 124 0 0 c 106 0.7 0.0 + 4 e 156 390 etot -8.3684E+01 mv 1 33 12 -90 0 + 4 e 648 328 etot -7.4957E+01 mv 1 33 124 -10 0 + 4 e 128 404 etot -8.7191E+01 mv 0 33 6 0 0 + 4 e 122 401 etot -8.6932E+01 mv 0 33 174 0 0 + 4 e 115 405 etot -8.8143E+01 mv 0 33 193 0 0 c 193 0.6 0.0 +## N0 total= 23 close= 10 far= 0 %acc 43.5 +## N1 total= 97 close= 5 far= 0 %acc 5.2 +## N2 total= 100 close= 9 far= 1 %acc 10.0 +## N3 total= 0 close= 0 far= 0 %acc 0.0 +## N4 total= 0 close= 0 far= 0 %acc 0.0 +## N5 total= 0 close= 0 far= 0 %acc 0.0 +## N6 total= 200 close= 27 far= 0 %acc 13.5 +## N7 total= 0 close= 0 far= 0 %acc 0.0 +## N8 total= 0 close= 0 far= 0 %acc 0.0 +## N9 total= 0 close= 0 far= 0 %acc 0.0 +##N10 total= 0 close= 0 far= 0 %acc 0.0 +##N11 total= 0 close= 0 far= 0 %acc 0.0 +##N12 total= 0 close= 0 far= 0 %acc 0.0 +##N13 total= 0 close= 0 far= 0 %acc 0.0 +##N14 total= 0 close= 0 far= 0 %acc 0.0 +##N15 total= 0 close= 0 far= 0 %acc 0.0 +##N16 total= 0 close= 0 far= 0 %acc 0.0 +##N17 total= 0 close= 0 far= 0 %acc 0.0 +##N18 total= 0 close= 0 far= 0 %acc 0.0 + Time for refresh 34 1.28 + make_var : nseed= 20 ntry= 420 + Time for make trial 35 0.08 +Nonsetup time 76.71 sec, Eval/s = 56051.62 +Time for iter 35 2.82 sec, Eval/s = 40163.99 + UPDATING 420 + 4 e 91 413 etot -8.5785E+01 mv 0 33 81 0 0 c 81 0.6 0.0 + 4 e 117 420 etot -8.3469E+01 mv 0 33 154 0 0 + 4 e 395 388 etot -7.5839E+01 mv 1 33 12 -152 0 + 4 e 390 392 etot -8.5717E+01 mv 1 33 138 -116 0 + 4 e 518 395 etot -8.0662E+01 mv 1 33 138 -61 0 + 4 e 128 411 etot -8.4510E+01 mv 0 33 162 0 0 + 4 e 119 410 etot -8.5030E+01 mv 0 33 9 0 0 c 9 1.1 0.0 + 4 e 298 396 etot -8.3179E+01 mv 1 33 154 -163 0 + 4 e 107 418 etot -8.3684E+01 mv 0 33 12 0 0 + 4 e 325 386 etot -8.0816E+01 mv 1 33 12 -182 0 + 4 e 85 408 etot -8.5581E+01 mv 0 33 26 0 0 c 26 1.4 0.0 + 4 e 339 389 etot -7.0654E+01 mv 1 33 12 -163 0 + 4 e 68 409 etot -8.5307E+01 mv 0 33 79 0 0 + 4 e 826 397 etot -8.0708E+01 mv 1 33 154 -127 0 + 4 e 683 378 etot -8.3203E+01 mv 1 33 63 -111 0 + -1 e 1 5 etot 7.7730E+21 mv 6 34 88 170 0 + 4 e 321 399 etot -7.8427E+01 mv 1 33 154 -18 0 + 4 e 514 393 etot -8.3517E+01 mv 1 33 138 -95 0 f 90 303.9 0.9 + 4 e 487 400 etot -8.5851E+01 mv 1 33 154 -72 0 + -1 e 1 10 etot 4.0565E+20 mv 6 34 88 76 0 + -1 e 1 12 etot 1.3528E+20 mv 6 34 174 138 0 + -1 e 1 14 etot 1.3528E+20 mv 6 34 174 84 0 + 4 e 328 394 etot -7.7115E+01 mv 1 33 138 -137 0 + 4 e 110 419 etot -8.3867E+01 mv 0 33 138 0 0 c 90 218.2 0.4 + 4 e 438 362 etot -7.7809E+01 mv 1 33 81 -134 0 + 4 e 382 398 etot -8.1612E+01 mv 1 33 154 -86 0 + 4 e 413 365 etot -8.5784E+01 mv 1 33 81 -14 0 + 4 e 78 417 etot -8.3979E+01 mv 0 33 8 0 0 c 8 0.9 0.0 + 4 e 604 372 etot -8.4159E+01 mv 1 33 196 -65 0 + 4 e 49 414 etot -8.4237E+01 mv 0 33 43 0 0 + 4 e 16 415 etot -8.4161E+01 mv 0 33 196 0 0 c 196 0.0 0.0 + 4 e 94 407 etot -8.5789E+01 mv 0 33 60 0 0 + 4 e 98 412 etot -8.4289E+01 mv 0 33 165 0 0 c 165 1.2 0.0 + 4 e 290 391 etot -8.4900E+01 mv 1 33 138 -37 0 c 90 29.5 1.0 + 4 e 101 416 etot -8.8630E+01 mv 0 33 63 0 0 c 63 1.0 0.0 + -1 e 1 33 etot 1.3528E+20 mv 6 34 45 151 0 + 4 e 165 7 etot -8.2860E+01 mv 6 34 88 174 0 c 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4 e 411 2 etot -8.4308E+01 mv 6 34 88 117 0 c 88 136.1 1.3 + 4 e 160 42 etot -8.5818E+01 mv 6 34 11 79 0 c 79 2.3 0.0 + -1 e 1 60 etot 1.3528E+20 mv 6 34 62 171 0 + 4 e 350 28 etot -7.3736E+01 mv 6 34 117 141 0 + 4 e 352 22 etot -8.7977E+01 mv 6 34 117 68 0 c 117 4.7 0.0 + 8 e 17 58 etot -6.3988E+01 mv 6 34 62 51 0 + -1 e 1 64 etot 1.3528E+20 mv 6 34 138 87 0 + 4 e 384 23 etot -7.9204E+01 mv 6 34 117 163 0 + 4 e 279 41 etot -8.6673E+01 mv 6 34 11 152 0 c 11 3.1 0.0 + 4 e 239 38 etot -8.1702E+01 mv 6 34 45 171 0 + 4 e 142 52 etot -8.6690E+01 mv 6 34 62 159 0 c 62 2.2 0.0 + 4 e 438 18 etot -6.8813E+01 mv 6 34 174 131 0 + 4 e 431 21 etot -8.4826E+01 mv 6 34 117 72 0 + 4 e 462 6 etot -8.3432E+01 mv 6 34 88 62 0 + 4 e 484 17 etot -8.1571E+01 mv 6 34 174 191 0 + 4 e 247 25 etot -8.6759E+01 mv 6 34 117 170 0 + 4 e 245 27 etot -8.7978E+01 mv 6 34 117 54 0 c 117 18.4 0.0 + 4 e 248 26 etot -7.9830E+01 mv 6 34 117 40 0 + -1 e 1 76 etot 1.5907E+20 mv 6 34 106 152 0 + 4 e 223 56 etot -8.5025E+01 mv 6 34 62 168 0 + 4 e 244 61 etot -8.3257E+01 mv 6 34 138 47 0 + 4 e 524 8 etot -7.8970E+01 mv 6 34 88 30 0 + 4 e 332 40 etot -7.9186E+01 mv 6 34 45 32 0 + 4 e 233 54 etot -7.5726E+01 mv 6 34 62 189 0 + 4 e 272 34 etot -8.3640E+01 mv 6 34 45 44 0 + 4 e 208 62 etot -8.7419E+01 mv 6 34 138 49 0 c 139 83.9 0.1 + 4 e 324 59 etot -8.6689E+01 mv 6 34 62 67 0 + 4 e 189 72 etot -8.7860E+01 mv 6 34 106 19 0 c 124 77.7 1.0 + -1 e 1 86 etot 1.3528E+20 mv 6 34 60 51 0 + 4 e 297 35 etot -8.7877E+01 mv 6 34 45 52 0 + 4 e 231 63 etot -8.7419E+01 mv 6 34 138 103 0 c 139 1.3 0.0 + 4 e 226 70 etot -8.1562E+01 mv 6 34 138 24 0 + -1 e 1 90 etot 1.3528E+20 mv 6 34 60 102 0 + 4 e 324 50 etot -9.0798E+01 mv 6 34 11 84 0 + 4 e 276 66 etot -8.2270E+01 mv 6 34 138 175 0 + 4 e 302 67 etot -7.6868E+01 mv 6 34 138 126 0 + 4 e 195 71 etot -8.6048E+01 mv 6 34 106 28 0 + -1 e 1 95 etot 1.3528E+20 mv 6 34 79 1 0 + -1 e 1 96 etot 1.3528E+20 mv 6 34 79 31 0 + 4 e 286 68 etot -8.2619E+01 mv 6 34 138 135 0 + -1 e 1 98 etot 1.3528E+20 mv 6 34 79 180 0 + 4 e 194 81 etot -8.6018E+01 mv 6 34 60 104 0 c 60 2.9 0.0 + 4 e 453 48 etot -8.2758E+01 mv 6 34 11 110 0 + 4 e 161 80 etot -6.1019E+01 mv 6 34 106 89 0 + 4 e 273 78 etot -8.4618E+01 mv 6 34 106 157 0 c 135 232.0 0.2 + 4 e 607 46 etot -7.2419E+01 mv 6 34 11 95 0 + -1 e 1 104 etot 1.3528E+20 mv 6 34 183 72 0 + 4 e 145 94 etot -8.3184E+01 mv 6 34 79 195 0 + 4 e 176 91 etot -8.5818E+01 mv 6 34 79 36 0 + 4 e 486 49 etot -8.6190E+01 mv 6 34 11 131 0 + -1 e 1 108 etot 1.3528E+20 mv 6 34 183 38 0 + 4 e 546 45 etot -9.2301E+01 mv 6 34 11 129 0 c 17 49.8 0.1 + 4 e 347 79 etot -7.9226E+01 mv 6 34 106 79 0 + 4 e 364 85 etot -7.8904E+01 mv 6 34 60 159 0 + 4 e 157 106 etot -7.0357E+01 mv 6 34 183 59 0 + 4 e 263 87 etot -6.7696E+01 mv 6 34 60 19 0 + 4 e 279 102 etot -7.9130E+01 mv 6 34 183 70 0 + 4 e 523 65 etot -8.3872E+01 mv 6 34 138 100 0 c 100 239.3 0.4 + 4 e 332 92 etot -8.8284E+01 mv 6 34 79 162 0 + 4 e 293 97 etot -7.7756E+01 mv 6 34 79 117 0 + 4 e 442 69 etot -6.9995E+01 mv 6 34 138 68 0 + 4 e 459 73 etot -8.0792E+01 mv 6 34 106 81 0 + 4 e 352 93 etot -8.6747E+01 mv 6 34 79 135 0 + 4 e 392 24 etot -8.6615E+01 mv 6 34 117 193 0 + 4 e 142 75 etot -8.3025E+01 mv 6 34 106 148 0 + 4 e 487 53 etot -8.7465E+01 mv 6 34 62 15 0 + 4 e 322 82 etot -8.7779E+01 mv 6 34 60 198 0 + 4 e 386 32 etot -7.8813E+01 mv 6 34 45 113 0 + 4 e 245 105 etot -8.5109E+01 mv 6 34 183 97 0 c 183 4.8 0.0 + 4 e 314 101 etot -7.7533E+01 mv 6 34 183 98 0 + 4 e 188 110 etot -8.3538E+01 mv 6 34 183 71 0 + 4 e 281 107 etot -8.5109E+01 mv 6 34 183 163 0 + 4 e 179 109 etot -8.2356E+01 mv 6 34 183 4 0 + 4 e 476 36 etot -8.8949E+01 mv 6 34 45 199 0 + 4 e 373 103 etot -8.5109E+01 mv 6 34 183 130 0 + 4 e 138 116 etot -5.9706E+01 mv 6 34 73 37 0 + 4 e 501 99 etot -7.7763E+01 mv 6 34 79 191 0 + 4 e 632 89 etot -8.7295E+01 mv 6 34 60 175 0 + 4 e 210 121 etot -8.4967E+01 mv 6 34 162 2 0 + 4 e 225 120 etot -6.6862E+01 mv 6 34 73 164 0 + -1 e 1 138 etot 1.3528E+20 mv 6 34 22 21 0 + 4 e 228 119 etot -8.1598E+01 mv 6 34 73 23 0 + 4 e 247 115 etot -7.9550E+01 mv 6 34 73 30 0 + -1 e 1 141 etot 1.3528E+20 mv 6 34 43 36 0 + 4 e 262 113 etot -8.6504E+01 mv 6 34 73 127 0 + 4 e 245 128 etot -8.4967E+01 mv 6 34 162 50 0 + 4 e 264 83 etot -7.8555E+01 mv 6 34 60 197 0 + 4 e 284 114 etot -7.8724E+01 mv 6 34 73 98 0 + 4 e 208 133 etot -8.4906E+01 mv 6 34 22 79 0 c 22 1.9 0.0 + 4 e 304 129 etot -8.0521E+01 mv 6 34 162 176 0 + 4 e 261 112 etot -7.3161E+01 mv 6 34 73 1 0 + 4 e 174 135 etot -8.4485E+01 mv 6 34 22 167 0 + 4 e 145 136 etot -7.6267E+01 mv 6 34 22 76 0 + 4 e 242 125 etot -8.4846E+01 mv 6 34 162 146 0 + 4 e 313 130 etot -8.6317E+01 mv 6 34 162 193 0 + 4 e 379 127 etot -8.2819E+01 mv 6 34 162 115 0 + 4 e 567 84 etot -7.7575E+01 mv 6 34 60 69 0 + 4 e 707 100 etot -8.4412E+01 mv 6 34 79 26 0 + 4 e 351 77 etot -7.6600E+01 mv 6 34 106 127 0 + 4 e 241 131 etot -8.3525E+01 mv 6 34 22 23 0 + 4 e 299 124 etot -8.4967E+01 mv 6 34 162 69 0 + 4 e 439 118 etot -9.0797E+01 mv 6 34 73 70 0 c 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etot -8.4189E+01 mv 6 34 135 70 0 + 4 e 208 155 etot -8.3525E+01 mv 6 34 135 72 0 + 4 e 316 154 etot -8.6018E+01 mv 6 34 135 115 0 + 4 e 321 153 etot -7.9294E+01 mv 6 34 135 99 0 + -1 e 1 183 etot 1.3528E+20 mv 6 34 64 197 0 + -1 e 1 185 etot 1.3528E+20 mv 6 34 64 166 0 + 4 e 230 169 etot -7.3804E+01 mv 6 34 16 61 0 + 4 e 238 167 etot -7.7583E+01 mv 6 34 16 22 0 + 4 e 403 149 etot -7.4980E+01 mv 6 34 43 153 0 + 4 e 415 147 etot -8.5524E+01 mv 6 34 43 179 0 + 4 e 251 152 etot -8.1235E+01 mv 6 34 135 189 0 + 4 e 279 160 etot -7.9994E+01 mv 6 34 135 110 0 + 4 e 206 157 etot -8.4143E+01 mv 6 34 135 179 0 + 4 e 231 174 etot -8.1022E+01 mv 6 34 168 145 0 + 4 e 275 171 etot -8.3287E+01 mv 6 34 168 58 0 c 168 3.8 0.0 + 4 e 342 166 etot -7.5104E+01 mv 6 34 16 154 0 + 4 e 152 180 etot -7.7648E+01 mv 6 34 168 31 0 + 4 e 188 177 etot -8.3299E+01 mv 6 34 168 125 0 f 29 319.5 0.7 + 4 e 282 159 etot -7.1403E+01 mv 6 34 135 188 0 + 8 e 27 196 etot -6.3996E+01 mv 6 34 187 121 0 + 4 e 372 164 etot -8.2007E+01 mv 6 34 16 37 0 + 4 e 291 158 etot -8.5016E+01 mv 6 34 135 127 0 + 4 e 229 145 etot -8.2967E+01 mv 6 34 43 89 0 + 4 e 365 173 etot -8.8360E+01 mv 6 34 168 65 0 + 4 e 306 132 etot -8.5443E+01 mv 6 34 22 39 0 + 4 e 308 122 etot -7.4373E+01 mv 6 34 162 171 0 + 4 e 280 176 etot -8.3287E+01 mv 6 34 168 24 0 c 168 1.9 0.0 + -1 e 1 207 etot 1.3528E+20 mv 2 34 174 -155 0 + -1 e 1 208 etot 1.3528E+20 mv 2 34 174 -124 0 + 4 e 226 186 etot -8.0524E+01 mv 6 34 64 121 0 + 4 e 373 175 etot -9.0617E+01 mv 6 34 168 104 0 + 4 e 173 191 etot -7.2681E+01 mv 6 34 187 26 0 + 4 e 337 123 etot -8.3846E+01 mv 6 34 162 171 0 + 4 e 313 179 etot -8.5261E+01 mv 6 34 168 185 0 + 4 e 317 181 etot -8.2101E+01 mv 6 34 64 57 0 + 4 e 184 193 etot -8.1148E+01 mv 6 34 187 153 0 + 4 e 135 203 etot -7.9038E+01 mv 2 34 88 -3 0 + 4 e 294 195 etot -8.0416E+01 mv 6 34 187 107 0 + 4 e 373 184 etot -8.3273E+01 mv 6 34 64 134 0 c 64 5.3 0.0 + 4 e 390 187 etot -8.4876E+01 mv 6 34 64 173 0 + 4 e 367 126 etot -8.3818E+01 mv 6 34 162 128 0 c 200 226.0 1.0 + 4 e 272 197 etot -8.2579E+01 mv 6 34 187 126 0 + 4 e 270 198 etot -7.8380E+01 mv 6 34 187 48 0 + 4 e 639 172 etot -9.1337E+01 mv 6 34 168 193 0 + 4 e 271 200 etot -8.3250E+01 mv 6 34 187 159 0 c 187 1.8 0.0 + 4 e 388 194 etot -8.5620E+01 mv 6 34 187 152 0 + 8 e 5 226 etot -6.3997E+01 mv 2 34 62 -99 0 + -1 e 1 227 etot 9.5690E+22 mv 2 34 62 -53 0 + 4 e 276 209 etot -7.7896E+01 mv 2 34 174 -143 0 + 4 e 480 192 etot -7.6237E+01 mv 6 34 187 3 0 + 4 e 478 189 etot -7.8694E+01 mv 6 34 64 46 0 + 4 e 366 182 etot -8.2486E+01 mv 6 34 64 31 0 + 4 e 296 211 etot -8.6745E+01 mv 2 34 117 -38 0 + 4 e 238 215 etot -8.4501E+01 mv 2 34 117 -151 0 + 4 e 191 219 etot -7.2657E+01 mv 2 34 45 -66 0 + 4 e 546 190 etot -8.4031E+01 mv 6 34 64 35 0 + 4 e 368 210 etot -6.3375E+01 mv 2 34 174 -152 0 + -1 e 1 237 etot 1.3528E+20 mv 2 34 106 -162 0 + 4 e 269 205 etot -7.6561E+01 mv 2 34 88 -56 0 + 4 e 430 204 etot -7.5492E+01 mv 2 34 88 -41 0 + 4 e 217 220 etot -8.7120E+01 mv 2 34 45 -39 0 + 4 e 232 223 etot -7.5473E+01 mv 2 34 11 -116 0 + 4 e 334 202 etot -7.3855E+01 mv 2 34 88 -27 0 + 4 e 356 214 etot -8.0021E+01 mv 2 34 117 -87 0 + 4 e 695 188 etot -8.5547E+01 mv 6 34 64 174 0 + 4 e 517 178 etot -9.2232E+01 mv 6 34 168 183 0 + 4 e 195 234 etot -8.6896E+01 mv 2 34 138 -17 0 c 138 2.2 0.0 + 4 e 569 201 etot -8.3173E+01 mv 2 34 88 -140 0 + 4 e 334 222 etot -6.6313E+01 mv 2 34 11 -111 0 + 4 e 196 236 etot -8.6048E+01 mv 2 34 106 -196 0 + 4 e 318 216 etot -7.6905E+01 mv 2 34 45 -114 0 + 4 e 215 235 etot -8.5410E+01 mv 2 34 138 -59 0 + 4 e 452 218 etot -8.7632E+01 mv 2 34 45 -84 0 + 4 e 206 221 etot -8.6672E+01 mv 2 34 11 -68 0 + -1 e 1 254 etot 1.3528E+20 mv 2 34 183 -51 0 + 4 e 358 229 etot -8.6982E+01 mv 2 34 62 -176 0 c 9 183.8 2.0 + 4 e 191 213 etot -7.4687E+01 mv 2 34 117 -131 0 + 4 e 328 233 etot -7.7331E+01 mv 2 34 138 -197 0 + -1 e 1 258 etot 4.1972E+25 mv 2 34 73 -50 0 + 4 e 145 245 etot -8.6018E+01 mv 2 34 60 -5 0 c 60 1.3 0.0 + 4 e 253 241 etot -8.6018E+01 mv 2 34 60 -150 0 + 4 e 295 238 etot -8.2757E+01 mv 2 34 106 -129 0 f 83 333.4 0.1 + 4 e 418 212 etot -6.6913E+01 mv 2 34 117 -71 0 + -1 e 1 262 etot 1.3528E+20 mv 2 34 162 -17 0 + -1 e 1 263 etot 1.3528E+20 mv 2 34 162 -133 0 + 4 e 480 224 etot -8.4771E+01 mv 2 34 11 -29 0 + 4 e 326 240 etot -8.6048E+01 mv 2 34 106 -12 0 + 4 e 509 225 etot -8.1494E+01 mv 2 34 11 -109 0 + 4 e 446 231 etot -8.0263E+01 mv 2 34 138 -39 0 + 4 e 560 199 etot -7.4292E+01 mv 6 34 187 152 0 + 4 e 151 246 etot -8.5819E+01 mv 2 34 79 -83 0 c 79 1.2 0.0 + 4 e 514 228 etot -7.9557E+01 mv 2 34 62 -23 0 + 4 e 224 249 etot -8.1116E+01 mv 2 34 79 -101 0 + 4 e 460 217 etot -7.2359E+01 mv 2 34 45 -81 0 + 4 e 240 250 etot -8.4831E+01 mv 2 34 79 -26 0 + -1 e 1 274 etot 1.3528E+20 mv 2 34 43 -22 0 + 4 e 146 260 etot -8.5056E+01 mv 2 34 73 -136 0 c 73 2.5 0.0 + 4 e 345 232 etot -8.6895E+01 mv 2 34 138 -148 0 + 4 e 302 247 etot -7.8698E+01 mv 2 34 79 -48 0 + 4 e 292 248 etot -8.0382E+01 mv 2 34 79 -167 0 + 4 e 549 230 etot -8.3278E+01 mv 2 34 62 -94 0 f 164 330.0 0.6 + -1 e 1 281 etot 1.3528E+20 mv 2 34 16 -4 0 + 4 e 424 242 etot -7.1323E+01 mv 2 34 60 -105 0 + 4 e 397 244 etot -8.6380E+01 mv 2 34 60 -80 0 + 4 e 266 253 etot -7.5891E+01 mv 2 34 183 -139 0 + 4 e 153 265 etot -8.4968E+01 mv 2 34 162 -104 0 c 162 1.1 0.0 + 4 e 370 239 etot -5.9806E+01 mv 2 34 106 -100 0 + 4 e 242 251 etot -8.5109E+01 mv 2 34 183 -181 0 c 183 1.8 0.0 + 4 e 281 261 etot -8.3886E+01 mv 2 34 162 -83 0 + -1 e 1 289 etot 2.6951E+20 mv 2 34 168 -33 0 + 4 e 669 163 etot -8.3724E+01 mv 6 34 16 190 0 + 4 e 269 266 etot -7.3509E+01 mv 2 34 22 -92 0 + 4 e 251 255 etot -8.5109E+01 mv 2 34 183 -6 0 + 4 e 274 267 etot -8.3496E+01 mv 2 34 22 -137 0 + 4 e 182 283 etot -6.8395E+01 mv 2 34 16 -63 0 + 4 e 284 268 etot -7.8447E+01 mv 2 34 22 -23 0 + 4 e 401 256 etot -8.0563E+01 mv 2 34 73 -109 0 + 4 e 190 280 etot -8.4431E+01 mv 2 34 135 -97 0 + 4 e 239 275 etot -7.8463E+01 mv 2 34 43 -46 0 + 4 e 200 284 etot -8.3987E+01 mv 2 34 16 -188 0 + 4 e 182 278 etot -8.0194E+01 mv 2 34 135 -63 0 + 8 e 31 299 etot -6.3988E+01 mv 2 34 187 -36 0 + 4 e 511 252 etot -7.4224E+01 mv 2 34 183 -173 0 + 4 e 406 206 etot -7.7012E+01 mv 2 34 174 -185 0 + 4 e 234 285 etot -8.3986E+01 mv 2 34 16 -61 0 + 4 e 286 282 etot -7.1141E+01 mv 2 34 16 -48 0 + 4 e 496 259 etot -8.1159E+01 mv 2 34 73 -89 0 + -1 e 1 307 etot 1.3528E+20 mv 1 34 174 -4 0 + 4 e 315 279 etot -7.7086E+01 mv 2 34 135 -80 0 + 4 e 188 290 etot -8.3287E+01 mv 2 34 168 -61 0 c 168 2.1 0.0 + 4 e 403 269 etot -8.4904E+01 mv 2 34 22 -32 0 + 4 e 488 264 etot -6.8976E+01 mv 2 34 162 -166 0 + -1 e 1 312 etot 1.3528E+20 mv 1 34 117 -159 0 + 4 e 398 272 etot -6.7912E+01 mv 2 34 43 -112 0 + 4 e 176 286 etot -8.3287E+01 mv 2 34 168 -15 0 + 4 e 412 273 etot -7.6603E+01 mv 2 34 43 -124 0 + 4 e 217 287 etot -6.9666E+01 mv 2 34 168 -174 0 + 4 e 299 276 etot -8.4046E+01 mv 2 34 135 -128 0 + 4 e 201 291 etot -8.3274E+01 mv 2 34 64 -192 0 c 64 3.4 0.0 + 4 e 285 257 etot -7.6983E+01 mv 2 34 73 -160 0 + 4 e 233 296 etot -8.1000E+01 mv 2 34 187 -149 0 + 4 e 314 294 etot -7.3622E+01 mv 2 34 64 -97 0 + 4 e 495 277 etot -7.8262E+01 mv 2 34 135 -57 0 + 4 e 591 243 etot -7.2969E+01 mv 2 34 60 -53 0 + 4 e 208 306 etot -8.8123E+01 mv 1 34 174 -29 0 c 174 0.5 0.0 + 4 e 205 310 etot -7.7533E+01 mv 1 34 174 -32 0 + 4 e 337 295 etot -8.2789E+01 mv 2 34 64 -124 0 + 4 e 188 301 etot -8.3288E+01 mv 1 34 88 -176 0 + -1 e 1 327 etot 1.3528E+20 mv 1 34 62 -61 0 + -1 e 1 329 etot 1.3528E+20 mv 1 34 62 -58 0 + -1 e 1 328 etot 1.3528E+20 mv 1 34 62 -127 0 + 4 e 233 309 etot -7.3522E+01 mv 1 34 174 -54 0 + 8 e 235 308 etot -6.3992E+01 mv 1 34 174 -196 0 + 4 e 234 314 etot -6.8625E+01 mv 1 34 117 -68 0 + 4 e 351 300 etot -7.5573E+01 mv 2 34 187 -151 0 + 4 e 336 288 etot -7.3546E+01 mv 2 34 168 -159 0 + -1 e 1 336 etot 1.3528E+20 mv 1 34 106 -85 0 + 4 e 168 315 etot -8.7978E+01 mv 1 34 117 -144 0 c 117 16.8 0.0 + 4 e 377 297 etot -7.7919E+01 mv 2 34 187 -90 0 + 4 e 468 270 etot -8.4905E+01 mv 2 34 22 -58 0 + 4 e 396 298 etot -6.9748E+01 mv 2 34 187 -199 0 + 4 e 455 292 etot -7.7598E+01 mv 2 34 64 -36 0 + 4 e 383 302 etot -7.5677E+01 mv 1 34 88 -139 0 + 4 e 305 313 etot -8.0021E+01 mv 1 34 117 -86 0 + 4 e 359 305 etot -8.2866E+01 mv 1 34 88 -157 0 + 4 e 269 304 etot -8.2867E+01 mv 1 34 88 -1 0 + 4 e 200 320 etot -8.7121E+01 mv 1 34 45 -162 0 c 45 1.9 0.0 + 4 e 407 311 etot -7.6088E+01 mv 1 34 117 -122 0 + -1 e 1 348 etot 1.3528E+20 mv 1 34 79 -180 0 + 4 e 262 323 etot -6.6747E+01 mv 1 34 11 -176 0 + 4 e 242 318 etot -7.4323E+01 mv 1 34 45 -122 0 + 4 e 199 333 etot -7.3961E+01 mv 1 34 138 -93 0 + 4 e 419 316 etot -8.7453E+01 mv 1 34 45 -168 0 + 4 e 279 326 etot -8.5966E+01 mv 1 34 62 -126 0 + 4 e 594 271 etot -7.9522E+01 mv 2 34 43 -113 0 + 4 e 232 335 etot -8.6896E+01 mv 1 34 138 -57 0 + 4 e 561 303 etot -6.9158E+01 mv 1 34 88 -141 0 + 4 e 197 331 etot -8.6896E+01 mv 1 34 138 -109 0 + 4 e 163 337 etot -7.1094E+01 mv 1 34 106 -177 0 + 4 e 295 317 etot -7.5066E+01 mv 1 34 45 -120 0 + 4 e 302 332 etot -8.3765E+01 mv 1 34 138 -102 0 + 4 e 313 330 etot -8.6104E+01 mv 1 34 62 -78 0 + -1 e 1 362 etot 1.3528E+20 mv 1 34 162 -150 0 + 4 e 403 321 etot -8.6191E+01 mv 1 34 11 -85 0 + 4 e 491 293 etot -7.7311E+01 mv 2 34 64 -94 0 + 4 e 309 319 etot -8.5711E+01 mv 1 34 45 -185 0 + 4 e 249 343 etot -8.6017E+01 mv 1 34 60 -115 0 + 4 e 405 325 etot -7.5581E+01 mv 1 34 11 -7 0 + 4 e 221 340 etot -7.4700E+01 mv 1 34 106 -34 0 + 4 e 454 322 etot -7.6509E+01 mv 1 34 11 -148 0 + 4 e 370 339 etot -8.3320E+01 mv 1 34 106 -81 0 + 4 e 248 349 etot -8.3095E+01 mv 1 34 79 -173 0 + -1 e 1 372 etot 1.3528E+20 mv 1 34 43 -101 0 + 8 e 171 357 etot -6.3984E+01 mv 1 34 73 -12 0 + 4 e 262 350 etot -8.5818E+01 mv 1 34 79 -172 0 + 4 e 482 334 etot -8.6895E+01 mv 1 34 138 -64 0 + 4 e 228 356 etot -8.5056E+01 mv 1 34 73 -122 0 + 4 e 268 346 etot -8.5818E+01 mv 1 34 79 -41 0 + 4 e 348 338 etot -8.6675E+01 mv 1 34 106 -85 0 c 106 249.3 0.6 + 4 e 155 370 etot -8.3483E+01 mv 1 34 22 -26 0 + 4 e 496 342 etot -8.4247E+01 mv 1 34 60 -135 0 + 4 e 511 341 etot -7.5748E+01 mv 1 34 60 -115 0 + -1 e 1 382 etot 1.3377E+25 mv 1 34 16 -64 0 + 4 e 244 367 etot -8.4796E+01 mv 1 34 22 -3 0 + 4 e 279 364 etot -8.5371E+01 mv 1 34 162 -89 0 c 162 21.6 0.4 + 4 e 343 354 etot -8.2356E+01 mv 1 34 183 -94 0 + 4 e 498 344 etot -8.7024E+01 mv 1 34 60 -92 0 + 4 e 311 361 etot -8.3035E+01 mv 1 34 162 -73 0 + 4 e 324 363 etot -6.9719E+01 mv 1 34 162 -195 0 + 4 e 412 352 etot -8.5090E+01 mv 1 34 183 -192 0 + 4 e 194 369 etot -8.4906E+01 mv 1 34 22 -179 0 + 4 e 273 360 etot -8.5023E+01 mv 1 34 73 -156 0 + 4 e 320 368 etot -7.5058E+01 mv 1 34 22 -129 0 + 4 e 259 374 etot -7.3126E+01 mv 1 34 43 -27 0 + 4 e 261 373 etot -8.3277E+01 mv 1 34 43 -65 0 + 4 e 607 345 etot -8.6017E+01 mv 1 34 60 -53 0 + 4 e 242 376 etot -8.4189E+01 mv 1 34 135 -11 0 + 4 e 136 385 etot -8.3987E+01 mv 1 34 16 -45 0 + 4 e 251 375 etot -8.4471E+01 mv 1 34 43 -117 0 + 4 e 329 371 etot -8.4471E+01 mv 1 34 43 -19 0 + 4 e 291 365 etot -8.4892E+01 mv 1 34 162 -46 0 + 4 e 399 351 etot -8.4288E+01 mv 1 34 183 -76 0 + 4 e 561 353 etot -7.9458E+01 mv 1 34 183 -137 0 + 4 e 238 384 etot -8.3986E+01 mv 1 34 16 -110 0 + 4 e 252 383 etot -7.4447E+01 mv 1 34 16 -160 0 + 4 e 343 377 etot -8.4095E+01 mv 1 34 135 -39 0 + 4 e 224 389 etot -8.3555E+01 mv 1 34 168 -196 0 c 168 129.6 0.3 + 4 e 45 402 etot -8.8124E+01 mv 0 34 174 0 0 c 174 0.2 0.0 + 4 e 18 408 etot -8.6048E+01 mv 0 34 106 0 0 + 4 e 288 386 etot -8.3286E+01 mv 1 34 168 -98 0 + 4 e 171 395 etot -8.3274E+01 mv 1 34 64 -152 0 c 64 2.1 0.0 + 4 e 236 378 etot -8.4431E+01 mv 1 34 135 -143 0 + 4 e 434 355 etot -8.5108E+01 mv 1 34 183 -177 0 + 4 e 429 359 etot -8.1375E+01 mv 1 34 73 -167 0 + 4 e 442 358 etot -8.0143E+01 mv 1 34 73 -169 0 + 4 e 194 396 etot -8.3250E+01 mv 1 34 187 -47 0 + 4 e 114 401 etot -8.2860E+01 mv 0 34 88 0 0 + 4 e 688 324 etot -8.0764E+01 mv 1 34 11 -82 0 + 4 e 88 407 etot -8.6896E+01 mv 0 34 138 0 0 c 138 1.0 0.0 + 4 e 148 403 etot -8.7978E+01 mv 0 34 117 0 0 c 117 0.7 0.0 +## N0 total= 19 close= 11 far= 0 %acc 57.9 +## N1 total= 101 close= 8 far= 1 %acc 8.9 +## N2 total= 100 close= 9 far= 2 %acc 11.0 +## N3 total= 0 close= 0 far= 0 %acc 0.0 +## N4 total= 0 close= 0 far= 0 %acc 0.0 +## N5 total= 0 close= 0 far= 0 %acc 0.0 +## N6 total= 200 close= 26 far= 1 %acc 13.5 +## N7 total= 0 close= 0 far= 0 %acc 0.0 +## N8 total= 0 close= 0 far= 0 %acc 0.0 +## N9 total= 0 close= 0 far= 0 %acc 0.0 +##N10 total= 0 close= 0 far= 0 %acc 0.0 +##N11 total= 0 close= 0 far= 0 %acc 0.0 +##N12 total= 0 close= 0 far= 0 %acc 0.0 +##N13 total= 0 close= 0 far= 0 %acc 0.0 +##N14 total= 0 close= 0 far= 0 %acc 0.0 +##N15 total= 0 close= 0 far= 0 %acc 0.0 +##N16 total= 0 close= 0 far= 0 %acc 0.0 +##N17 total= 0 close= 0 far= 0 %acc 0.0 +##N18 total= 0 close= 0 far= 0 %acc 0.0 + Time for refresh 35 0.29 + make_var : nseed= 20 ntry= 420 + Time for make trial 36 0.05 +Nonsetup time 78.48 sec, Eval/s = 56288.12 +Time for iter 36 1.77 sec, Eval/s = 66518.27 + UPDATING 420 + 4 e 429 380 etot -8.2504E+01 mv 1 34 135 -149 0 + 4 e 107 411 etot -8.5110E+01 mv 0 34 183 0 0 c 183 1.5 0.0 + 4 e 94 410 etot -8.5819E+01 mv 0 34 79 0 0 c 79 1.5 0.0 + 4 e 125 404 etot -8.7121E+01 mv 0 34 45 0 0 c 45 0.7 0.0 + 4 e 547 387 etot -8.3204E+01 mv 1 34 168 -69 0 f 186 286.3 0.5 + 4 e 406 381 etot -7.4674E+01 mv 1 34 16 -172 0 + 4 e 338 398 etot -8.0326E+01 mv 1 34 187 -39 0 + 4 e 101 406 etot -8.6690E+01 mv 0 34 62 0 0 c 62 0.5 0.0 + 4 e 85 416 etot -8.4431E+01 mv 0 34 135 0 0 + 4 e 126 405 etot -8.6673E+01 mv 0 34 11 0 0 c 11 1.9 0.0 + 4 e 179 400 etot -8.3250E+01 mv 1 34 187 -164 0 c 187 1.5 0.0 + 4 e 450 393 etot -7.9497E+01 mv 1 34 64 -128 0 + -1 e 1 3 etot 2.2301E+27 mv 6 35 68 100 0 + 4 e 336 399 etot -8.3249E+01 mv 1 34 187 -140 0 + 4 e 360 390 etot -8.3285E+01 mv 1 34 168 -48 0 + 4 e 112 419 etot -8.3274E+01 mv 0 34 64 0 0 c 64 1.4 0.0 + -1 e 1 8 etot 1.3528E+20 mv 6 35 68 151 0 + -1 e 1 9 etot 1.3528E+20 mv 6 35 68 105 0 + -1 e 1 13 etot 1.3528E+20 mv 6 35 9 26 0 + -1 e 1 10 etot 1.3528E+20 mv 6 35 68 34 0 + 4 e 653 397 etot -5.2683E+01 mv 1 34 187 -157 0 + 4 e 609 394 etot -8.8116E+01 mv 1 34 64 -99 0 + 4 e 430 388 etot -8.1151E+01 mv 1 34 168 -196 0 + 4 e 80 420 etot -8.3250E+01 mv 0 34 187 0 0 c 187 0.6 0.0 + 4 e 114 412 etot -8.5057E+01 mv 0 34 73 0 0 c 73 0.6 0.0 + 4 e 110 413 etot -8.4968E+01 mv 0 34 162 0 0 + 4 e 69 414 etot -8.4906E+01 mv 0 34 22 0 0 c 22 1.2 0.0 + 4 e 615 347 etot -8.4038E+01 mv 1 34 79 -89 0 f 74 306.1 1.3 + 4 e 91 415 etot -8.4472E+01 mv 0 34 43 0 0 + 4 e 355 391 etot -8.3273E+01 mv 1 34 64 -80 0 + 4 e 142 418 etot -8.3287E+01 mv 0 34 168 0 0 + 4 e 431 379 etot -8.0727E+01 mv 1 34 135 -176 0 + 4 e 41 417 etot -8.3987E+01 mv 0 34 16 0 0 c 16 0.1 0.0 + 4 e 478 392 etot -7.8159E+01 mv 1 34 64 -36 0 + 4 e 141 409 etot -8.6018E+01 mv 0 34 60 0 0 c 60 0.7 0.0 + 4 e 466 366 etot -8.4904E+01 mv 1 34 22 -97 0 + -1 e 1 34 etot 1.3528E+20 mv 6 35 154 88 0 + 4 e 54 16 etot -8.5057E+01 mv 6 35 9 73 0 c 73 0.4 0.0 + 4 e 154 19 etot -8.1868E+01 mv 6 35 9 25 0 + 4 e 173 24 etot -7.1868E+01 mv 6 35 106 120 0 + -1 e 1 40 etot 8.6269E+26 mv 6 35 154 62 0 + -1 e 1 41 etot 1.3528E+20 mv 6 35 162 69 0 + 4 e 185 29 etot -8.6595E+01 mv 6 35 106 138 0 + 4 e 181 26 etot -8.8377E+01 mv 6 35 106 66 0 + 4 e 212 2 etot -7.5379E+01 mv 6 35 68 155 0 + 4 e 211 32 etot -8.5947E+01 mv 6 35 154 1 0 c 154 3.8 0.0 + -1 e 1 46 etot 1.3528E+20 mv 6 35 162 8 0 + 4 e 224 28 etot -8.8376E+01 mv 6 35 106 101 0 + 4 e 230 27 etot -8.2223E+01 mv 6 35 106 102 0 + 4 e 228 5 etot -9.0027E+01 mv 6 35 68 167 0 + 4 e 238 12 etot -8.6982E+01 mv 6 35 9 77 0 c 9 2.6 0.0 + 4 e 244 20 etot -8.5138E+01 mv 6 35 9 98 0 + 4 e 267 31 etot -9.2231E+01 mv 6 35 154 33 0 + 4 e 286 17 etot -8.5437E+01 mv 6 35 9 175 0 + 4 e 298 30 etot -8.8509E+01 mv 6 35 106 53 0 + 4 e 305 7 etot -7.9366E+01 mv 6 35 68 34 0 + 4 e 297 11 etot -7.9290E+01 mv 6 35 9 143 0 + 4 e 304 15 etot -8.6982E+01 mv 6 35 9 23 0 + 4 e 336 1 etot -8.2693E+01 mv 6 35 68 59 0 + 4 e 322 33 etot -8.1677E+01 mv 6 35 154 48 0 + -1 e 1 60 etot 1.3528E+20 mv 6 35 12 160 0 + 4 e 347 21 etot -7.5182E+01 mv 6 35 106 175 0 + 4 e 353 35 etot -8.3584E+01 mv 6 35 154 181 0 + -1 e 1 63 etot 1.3528E+20 mv 6 35 90 29 0 + 4 e 54 57 etot -8.5214E+01 mv 6 35 12 160 0 c 160 0.1 0.0 + 4 e 348 4 etot -9.0798E+01 mv 6 35 68 43 0 c 68 3.5 0.0 + 4 e 384 23 etot -8.3858E+01 mv 6 35 106 27 0 f 95 309.1 1.1 + 4 e 293 39 etot -8.5946E+01 mv 6 35 154 176 0 + 4 e 177 47 etot -8.6665E+01 mv 6 35 162 126 0 + 4 e 235 44 etot -8.6734E+01 mv 6 35 162 161 0 c 133 102.8 0.0 + 8 e 57 68 etot -6.3993E+01 mv 6 35 90 2 0 + 4 e 497 25 etot -8.4594E+01 mv 6 35 106 163 0 f 83 283.9 1.8 + 4 e 494 18 etot -8.7803E+01 mv 6 35 9 134 0 c 9 68.9 0.8 + -1 e 1 72 etot 1.3528E+20 mv 6 35 135 174 0 + 4 e 238 56 etot -8.5165E+01 mv 6 35 12 56 0 + 4 e 538 22 etot -8.3518E+01 mv 6 35 106 44 0 f 169 384.2 0.7 + 4 e 429 45 etot -8.4411E+01 mv 6 35 162 51 0 + 4 e 395 42 etot -8.5092E+01 mv 6 35 162 30 0 c 30 156.2 1.7 + 4 e 229 62 etot -8.4915E+01 mv 6 35 90 175 0 c 90 18.3 0.0 + 4 e 521 36 etot -8.0789E+01 mv 6 35 154 118 0 + 4 e 303 48 etot -8.4410E+01 mv 6 35 162 20 0 + 4 e 117 70 etot -6.6302E+01 mv 6 35 90 29 0 + 4 e 206 67 etot -7.8740E+01 mv 6 35 90 10 0 + 4 e 535 14 etot -8.1780E+01 mv 6 35 9 73 0 + -1 e 1 84 etot 1.3528E+20 mv 6 35 43 2 0 + 4 e 361 43 etot -8.4411E+01 mv 6 35 162 192 0 + 4 e 223 64 etot -8.4916E+01 mv 6 35 90 96 0 c 90 1.7 0.0 + 4 e 223 71 etot -8.6247E+01 mv 6 35 135 104 0 + 4 e 236 61 etot -8.3866E+01 mv 6 35 90 158 0 + 4 e 536 38 etot -7.3775E+01 mv 6 35 154 200 0 + 4 e 428 59 etot -8.7242E+01 mv 6 35 12 138 0 + 4 e 681 6 etot -8.4065E+01 mv 6 35 68 136 0 + 4 e 613 37 etot -8.0156E+01 mv 6 35 154 12 0 + 4 e 344 66 etot -8.4915E+01 mv 6 35 90 55 0 + -1 e 1 94 etot 1.3528E+20 mv 6 35 196 3 0 + 4 e 223 69 etot -8.6639E+01 mv 6 35 90 105 0 + 4 e 481 50 etot -8.3945E+01 mv 6 35 162 18 0 + 4 e 195 76 etot -8.4618E+01 mv 6 35 135 11 0 c 135 1.6 0.0 + 4 e 139 85 etot -8.3274E+01 mv 6 35 43 64 0 + 4 e 193 83 etot -8.4471E+01 mv 6 35 43 52 0 + 4 e 231 78 etot -8.4618E+01 mv 6 35 135 41 0 c 135 1.7 0.0 + 4 e 400 54 etot -7.7146E+01 mv 6 35 12 43 0 + 4 e 267 75 etot -7.9109E+01 mv 6 35 135 181 0 + 4 e 479 49 etot -8.5714E+01 mv 6 35 162 52 0 + 4 e 167 82 etot -7.6483E+01 mv 6 35 43 7 0 + 4 e 411 55 etot -7.8618E+01 mv 6 35 12 33 0 + 4 e 201 88 etot -8.1703E+01 mv 6 35 43 113 0 + 4 e 99 100 etot -8.4906E+01 mv 6 35 196 22 0 c 22 0.6 0.0 + 4 e 165 95 etot -8.3613E+01 mv 6 35 196 84 0 + 4 e 442 65 etot -8.7062E+01 mv 6 35 90 191 0 + 4 e 594 51 etot -8.2578E+01 mv 6 35 12 90 0 + 4 e 248 90 etot -8.3686E+01 mv 6 35 43 26 0 + 4 e 214 80 etot -8.5602E+01 mv 6 35 135 53 0 + 4 e 250 91 etot -8.0154E+01 mv 6 35 196 168 0 + 4 e 25 110 etot -8.2738E+01 mv 6 35 88 95 0 + 4 e 249 81 etot -8.5528E+01 mv 6 35 43 2 0 + -1 e 1 116 etot 1.3528E+20 mv 6 35 100 35 0 + 4 e 516 53 etot -8.3462E+01 mv 6 35 12 191 0 + 4 e 578 58 etot -8.3952E+01 mv 6 35 12 186 0 + 4 e 211 99 etot -8.4340E+01 mv 6 35 196 176 0 c 196 8.3 0.0 + -1 e 1 120 etot 1.3528E+20 mv 6 35 100 55 0 + 4 e 373 73 etot -8.5040E+01 mv 6 35 135 155 0 + 4 e 281 97 etot -8.4308E+01 mv 6 35 196 34 0 + 4 e 641 52 etot -9.0760E+01 mv 6 35 12 54 0 c 191 88.8 0.0 + 4 e 143 104 etot -8.4453E+01 mv 6 35 88 170 0 + 4 e 253 101 etot -8.3188E+01 mv 6 35 88 55 0 + 4 e 523 77 etot -8.3294E+01 mv 6 35 135 29 0 f 75 282.5 0.5 + 4 e 310 87 etot -8.3289E+01 mv 6 35 43 198 0 + 4 e 344 98 etot -8.0080E+01 mv 6 35 196 78 0 + 4 e 404 92 etot -8.7704E+01 mv 6 35 196 193 0 + 4 e 214 109 etot -8.6011E+01 mv 6 35 88 136 0 + 4 e 289 102 etot -8.3484E+01 mv 6 35 88 190 0 + 4 e 388 74 etot -8.3321E+01 mv 6 35 135 192 0 + 4 e 195 106 etot -7.4774E+01 mv 6 35 88 111 0 + 4 e 235 107 etot -7.7580E+01 mv 6 35 88 112 0 + 4 e 358 86 etot -7.3838E+01 mv 6 35 43 134 0 + 4 e 207 112 etot -8.1398E+01 mv 6 35 100 96 0 + 4 e 287 89 etot -7.7759E+01 mv 6 35 43 5 0 + 4 e 293 96 etot -8.0555E+01 mv 6 35 196 147 0 + 4 e 567 79 etot -8.6846E+01 mv 6 35 135 170 0 c 135 206.7 2.2 + -1 e 1 140 etot 1.3528E+20 mv 6 35 149 140 0 + 4 e 215 114 etot -8.3033E+01 mv 6 35 100 98 0 + 4 e 278 108 etot -8.0831E+01 mv 6 35 88 80 0 + 4 e 237 111 etot -8.3873E+01 mv 6 35 100 15 0 c 100 5.3 0.0 + 4 e 342 103 etot -7.9663E+01 mv 6 35 88 138 0 + 4 e 147 118 etot -8.3874E+01 mv 6 35 100 194 0 c 100 2.8 0.0 + 4 e 336 93 etot -8.2159E+01 mv 6 35 196 42 0 + 4 e 260 119 etot -8.3873E+01 mv 6 35 100 120 0 + 4 e 284 122 etot -8.4829E+01 mv 6 35 110 68 0 + 4 e 190 125 etot -8.3781E+01 mv 6 35 110 67 0 + 4 e 256 126 etot -8.4357E+01 mv 6 35 110 150 0 + 4 e 396 115 etot -8.1998E+01 mv 6 35 100 9 0 + 4 e 142 139 etot -7.1571E+01 mv 6 35 149 156 0 + 4 e 384 123 etot -8.0662E+01 mv 6 35 110 11 0 + 4 e 232 141 etot -8.4763E+01 mv 6 35 168 156 0 + 4 e 289 130 etot -7.0919E+01 mv 6 35 110 28 0 + 4 e 304 131 etot -7.8413E+01 mv 6 35 149 39 0 + 4 e 304 135 etot -8.1356E+01 mv 6 35 149 178 0 + 4 e 316 129 etot -8.0209E+01 mv 6 35 110 25 0 + 4 e 272 142 etot -8.3819E+01 mv 6 35 168 2 0 c 168 96.1 0.3 + 4 e 320 132 etot -8.2335E+01 mv 6 35 149 44 0 + 4 e 469 121 etot -8.0791E+01 mv 6 35 110 167 0 + 4 e 319 137 etot -8.3869E+01 mv 6 35 149 115 0 c 149 4.0 0.0 + 4 e 253 128 etot -8.5789E+01 mv 6 35 110 44 0 + 4 e 251 133 etot -8.5042E+01 mv 6 35 149 177 0 c 149 243.1 1.2 + 4 e 329 143 etot -8.2832E+01 mv 6 35 168 176 0 + 4 e 358 113 etot -8.0564E+01 mv 6 35 100 20 0 + 4 e 416 127 etot -7.9527E+01 mv 6 35 110 50 0 + 4 e 348 145 etot -8.4570E+01 mv 6 35 168 190 0 + 4 e 293 134 etot -8.1956E+01 mv 6 35 149 142 0 + 4 e 292 136 etot -8.8565E+01 mv 6 35 149 77 0 c 54 120.8 0.5 + 4 e 223 151 etot -8.2487E+01 mv 6 35 29 16 0 + 4 e 411 117 etot -7.7644E+01 mv 6 35 100 187 0 + 4 e 424 144 etot -8.1063E+01 mv 6 35 168 94 0 + 4 e 551 124 etot -8.3016E+01 mv 6 35 110 198 0 + -1 e 1 175 etot 1.3528E+20 mv 6 35 20 32 0 + -1 e 1 176 etot 1.3528E+20 mv 6 35 20 119 0 + -1 e 1 177 etot 1.3528E+20 mv 6 35 20 200 0 + -1 e 1 178 etot 1.8014E+27 mv 6 35 20 155 0 + 4 e 323 149 etot -8.3554E+01 mv 6 35 168 178 0 + 4 e 532 105 etot -8.4943E+01 mv 6 35 88 6 0 c 50 193.5 1.7 + 4 e 242 154 etot -8.4363E+01 mv 6 35 29 8 0 c 8 33.0 0.4 + 4 e 318 147 etot -7.5343E+01 mv 6 35 168 90 0 + 4 e 310 152 etot -8.8584E+01 mv 6 35 29 73 0 + 4 e 268 157 etot -8.3299E+01 mv 6 35 29 95 0 + 4 e 205 166 etot -8.1832E+01 mv 6 35 164 149 0 + 4 e 150 172 etot -7.2731E+01 mv 6 35 20 185 0 + -1 e 1 187 etot 1.3528E+20 mv 6 35 139 109 0 + 4 e 239 163 etot -8.1478E+01 mv 6 35 164 78 0 + 4 e 259 153 etot -8.0687E+01 mv 6 35 29 76 0 + 4 e 364 138 etot -8.1006E+01 mv 6 35 149 145 0 + 4 e 119 173 etot -8.2869E+01 mv 6 35 20 187 0 + 4 e 290 162 etot -8.0906E+01 mv 6 35 164 175 0 + 4 e 245 168 etot -8.2304E+01 mv 6 35 164 85 0 + 4 e 142 182 etot -8.7900E+01 mv 6 35 139 148 0 c 139 33.0 0.5 + 4 e 319 150 etot -7.8429E+01 mv 6 35 168 178 0 + 4 e 346 161 etot -8.0197E+01 mv 6 35 164 182 0 + 4 e 200 179 etot -8.6975E+01 mv 6 35 20 107 0 c 20 2.2 0.0 + 4 e 218 174 etot -8.6975E+01 mv 6 35 20 130 0 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etot -8.2410E+01 mv 6 35 139 142 0 + 4 e 185 200 etot -6.4717E+01 mv 6 35 131 186 0 + 4 e 262 195 etot -7.4109E+01 mv 6 35 131 187 0 + 4 e 218 192 etot -7.3182E+01 mv 6 35 131 132 0 + 4 e 374 170 etot -7.2665E+01 mv 6 35 164 11 0 + 4 e 383 171 etot -8.0604E+01 mv 6 35 20 93 0 + 4 e 243 206 etot -8.5436E+01 mv 2 35 9 -77 0 + 4 e 223 210 etot -7.9253E+01 mv 2 35 9 -67 0 + -1 e 1 227 etot 1.3528E+20 mv 2 35 12 -147 0 + 4 e 184 215 etot -8.6676E+01 mv 2 35 106 -126 0 c 106 3.7 0.0 + 4 e 306 190 etot -8.2727E+01 mv 6 35 139 92 0 + 4 e 390 197 etot -8.4131E+01 mv 6 35 131 51 0 c 131 197.9 0.9 + 4 e 495 188 etot -8.7899E+01 mv 6 35 139 168 0 + 4 e 235 213 etot -7.2656E+01 mv 2 35 106 -45 0 + 4 e 386 198 etot -8.9058E+01 mv 6 35 131 25 0 + 4 e 574 185 etot -8.4139E+01 mv 6 35 139 192 0 + 4 e 430 199 etot -7.3520E+01 mv 6 35 131 41 0 + 4 e 292 202 etot -7.2244E+01 mv 2 35 68 -112 0 + 4 e 332 196 etot -8.3544E+01 mv 6 35 131 170 0 + 4 e 382 205 etot -9.0797E+01 mv 2 35 68 -105 0 + 4 e 434 201 etot -8.2107E+01 mv 2 35 68 -146 0 + 4 e 276 218 etot -7.2034E+01 mv 2 35 154 -89 0 + 4 e 431 204 etot -8.0670E+01 mv 2 35 68 -73 0 + -1 e 1 242 etot 1.5595E+23 mv 2 35 43 -7 0 + 4 e 341 212 etot -7.9639E+01 mv 2 35 106 -194 0 + 4 e 397 207 etot -6.7972E+01 mv 2 35 9 -98 0 + 4 e 199 226 etot -8.5165E+01 mv 2 35 12 -83 0 c 12 2.5 0.0 + 4 e 573 194 etot -7.4290E+01 mv 6 35 131 166 0 + 4 e 404 191 etot -8.0414E+01 mv 6 35 131 138 0 + 4 e 553 167 etot -7.4143E+01 mv 6 35 164 25 0 + 4 e 259 220 etot -7.3398E+01 mv 2 35 154 -136 0 + 4 e 138 241 etot -7.4162E+01 mv 2 35 43 -124 0 + 4 e 402 221 etot -8.4701E+01 mv 2 35 162 -122 0 + 4 e 441 214 etot -8.9258E+01 mv 2 35 106 -51 0 c 106 158.6 2.6 + 4 e 243 231 etot -8.4606E+01 mv 2 35 90 -137 0 + 4 e 388 222 etot -8.3597E+01 mv 2 35 162 -147 0 + 4 e 267 232 etot -6.9369E+01 mv 2 35 90 -85 0 + 4 e 243 225 etot -8.5372E+01 mv 2 35 162 -67 0 c 162 1.1 0.0 + 4 e 232 236 etot -7.6127E+01 mv 2 35 135 -101 0 + 4 e 186 245 etot -8.1278E+01 mv 2 35 43 -66 0 + -1 e 1 259 etot 1.3528E+20 mv 2 35 100 -178 0 + 4 e 211 244 etot -8.4556E+01 mv 2 35 43 -136 0 c 43 2.0 0.0 + 4 e 263 240 etot -7.9677E+01 mv 2 35 135 -153 0 + 4 e 285 239 etot -7.5155E+01 mv 2 35 135 -64 0 + 4 e 340 234 etot -8.2163E+01 mv 2 35 90 -179 0 + 4 e 241 247 etot -8.2861E+01 mv 2 35 196 -121 0 + 4 e 243 246 etot -7.8587E+01 mv 2 35 196 -198 0 + 4 e 133 255 etot -8.4310E+01 mv 2 35 88 -59 0 c 88 4.3 0.0 + 4 e 378 233 etot -7.8309E+01 mv 2 35 90 -103 0 + 4 e 365 223 etot -8.0203E+01 mv 2 35 162 -193 0 + 4 e 340 235 etot -8.6207E+01 mv 2 35 90 -66 0 + -1 e 1 270 etot 1.3528E+20 mv 2 35 149 -45 0 + 4 e 127 256 etot -8.3874E+01 mv 2 35 100 -154 0 c 100 1.0 0.0 + 4 e 188 251 etot -8.4310E+01 mv 2 35 88 -131 0 + 8 e 46 266 etot -6.3988E+01 mv 2 35 149 -30 0 + 4 e 268 238 etot -8.5299E+01 mv 2 35 135 -50 0 + 4 e 155 260 etot -8.3874E+01 mv 2 35 100 -178 0 + 4 e 492 229 etot -8.0280E+01 mv 2 35 12 -69 0 + 4 e 217 249 etot -8.3075E+01 mv 2 35 196 -106 0 + 4 e 398 243 etot -6.5596E+01 mv 2 35 43 -143 0 + 4 e 460 219 etot -7.9384E+01 mv 2 35 154 -23 0 + 4 e 263 253 etot -7.5729E+01 mv 2 35 88 -91 0 + 4 e 192 261 etot -8.3781E+01 mv 2 35 110 -141 0 c 110 1.2 0.0 + 4 e 434 224 etot -8.2608E+01 mv 2 35 162 -198 0 + 4 e 534 211 etot -8.4514E+01 mv 2 35 106 -41 0 + 4 e 571 228 etot -7.6730E+01 mv 2 35 12 -90 0 + 4 e 248 250 etot -6.9514E+01 mv 2 35 196 -152 0 + 4 e 262 248 etot -7.9653E+01 mv 2 35 196 -89 0 + 4 e 336 254 etot -8.0830E+01 mv 2 35 88 -109 0 + 4 e 246 268 etot -6.5707E+01 mv 2 35 149 -132 0 + 4 e 562 216 etot -8.0241E+01 mv 2 35 154 -113 0 + 4 e 251 271 etot -8.2087E+01 mv 2 35 168 -113 0 + 4 e 405 237 etot -7.5003E+01 mv 2 35 135 -21 0 + 8 e 127 282 etot -6.3988E+01 mv 2 35 164 -199 0 + 4 e 281 257 etot -7.3274E+01 mv 2 35 100 -56 0 + 4 e 279 272 etot -6.5042E+01 mv 2 35 168 -157 0 + 4 e 470 252 etot -6.7235E+01 mv 2 35 88 -27 0 + 4 e 227 281 etot -8.0266E+01 mv 2 35 164 -146 0 + 4 e 370 273 etot -7.8292E+01 mv 2 35 168 -183 0 + 4 e 302 276 etot -8.2164E+01 mv 2 35 29 -76 0 + 4 e 408 267 etot -7.8501E+01 mv 2 35 149 -40 0 + 4 e 410 264 etot -8.1855E+01 mv 2 35 110 -39 0 + 4 e 320 279 etot -7.3846E+01 mv 2 35 29 -24 0 + 4 e 246 275 etot -8.3123E+01 mv 2 35 168 -60 0 + 4 e 591 230 etot -8.5164E+01 mv 2 35 12 -32 0 + 4 e 350 277 etot -6.2562E+01 mv 2 35 29 -45 0 + 4 e 318 285 etot -8.4709E+01 mv 2 35 164 -28 0 c 164 93.8 1.4 + 4 e 292 288 etot -8.1367E+01 mv 2 35 20 -54 0 + -1 e 1 307 etot 1.3528E+20 mv 1 35 9 -93 0 + 4 e 252 289 etot -8.0365E+01 mv 2 35 20 -114 0 + 4 e 521 263 etot -7.6539E+01 mv 2 35 110 -55 0 + 4 e 571 258 etot -7.5392E+01 mv 2 35 100 -116 0 + 4 e 529 265 etot -7.5005E+01 mv 2 35 110 -137 0 + 4 e 573 262 etot -7.0570E+01 mv 2 35 110 -148 0 + 4 e 494 274 etot -8.1930E+01 mv 2 35 168 -49 0 + -1 e 1 314 etot 1.3528E+20 mv 1 35 106 -124 0 + 4 e 184 294 etot -7.9427E+01 mv 2 35 139 -99 0 + 4 e 267 286 etot -8.6974E+01 mv 2 35 20 -200 0 + 4 e 316 280 etot -7.0127E+01 mv 2 35 29 -33 0 + 4 e 195 299 etot -8.3229E+01 mv 2 35 131 -20 0 + 4 e 243 297 etot -7.3986E+01 mv 2 35 131 -29 0 + 4 e 199 300 etot -6.9581E+01 mv 2 35 131 -200 0 + -1 e 1 321 etot 1.3528E+20 mv 1 35 162 -197 0 + 4 e 421 269 etot -8.4591E+01 mv 2 35 149 -123 0 f 127 323.7 1.8 + 4 e 179 310 etot -8.6982E+01 mv 1 35 9 -173 0 + 4 e 410 295 etot -8.0851E+01 mv 2 35 139 -68 0 + 4 e 473 291 etot -8.3645E+01 mv 2 35 139 -163 0 + 4 e 253 308 etot -8.6228E+01 mv 1 35 9 -200 0 + 4 e 439 278 etot -8.4653E+01 mv 2 35 29 -199 0 f 25 320.0 1.8 + 4 e 396 287 etot -6.5888E+01 mv 2 35 20 -175 0 + 4 e 168 320 etot -7.7495E+01 mv 1 35 154 -83 0 + 4 e 294 306 etot -6.9832E+01 mv 1 35 9 -24 0 + -1 e 1 331 etot 1.3528E+20 mv 1 35 90 -185 0 + 4 e 215 315 etot -8.6676E+01 mv 1 35 106 -160 0 + 4 e 353 292 etot -7.4663E+01 mv 2 35 139 -29 0 + 4 e 338 302 etot -9.0798E+01 mv 1 35 68 -45 0 c 68 3.3 0.0 + 4 e 254 312 etot -7.6286E+01 mv 1 35 106 -71 0 + 4 e 431 284 etot -6.9668E+01 mv 2 35 164 -112 0 + 4 e 218 304 etot -9.0798E+01 mv 1 35 68 -149 0 + 4 e 249 313 etot -8.8337E+01 mv 1 35 106 -87 0 + 4 e 294 309 etot -8.6658E+01 mv 1 35 9 -52 0 + 4 e 296 311 etot -8.8009E+01 mv 1 35 106 -4 0 + 4 e 455 283 etot -7.8562E+01 mv 2 35 164 -146 0 + 4 e 577 293 etot -8.2970E+01 mv 2 35 139 -1 0 c 23 6.6 0.0 + 4 e 369 305 etot -8.4585E+01 mv 1 35 68 -192 0 + 4 e 280 303 etot -7.5509E+01 mv 1 35 68 -29 0 + 4 e 534 296 etot -7.9325E+01 mv 2 35 131 -85 0 + 4 e 202 316 etot -8.5947E+01 mv 1 35 154 -49 0 + 4 e 174 325 etot -8.5372E+01 mv 1 35 162 -133 0 c 162 1.4 0.0 + 4 e 293 319 etot -8.4932E+01 mv 1 35 154 -167 0 + 4 e 534 298 etot -8.3226E+01 mv 2 35 131 -92 0 + 4 e 314 322 etot -8.4510E+01 mv 1 35 162 -81 0 + 4 e 273 324 etot -8.1905E+01 mv 1 35 162 -55 0 + 4 e 221 339 etot -8.4618E+01 mv 1 35 135 -175 0 + 4 e 162 337 etot -7.2138E+01 mv 1 35 135 -152 0 + -1 e 1 353 etot 1.3528E+20 mv 1 35 88 -43 0 + 4 e 186 329 etot -7.9896E+01 mv 1 35 12 -148 0 + 4 e 575 301 etot -8.9665E+01 mv 1 35 68 -4 0 + 4 e 260 336 etot -8.3656E+01 mv 1 35 135 -25 0 + 4 e 186 346 etot -8.4309E+01 mv 1 35 196 -50 0 + 4 e 189 349 etot -8.4308E+01 mv 1 35 196 -33 0 + 4 e 295 332 etot -7.7410E+01 mv 1 35 90 -73 0 + 4 e 145 351 etot -8.4310E+01 mv 1 35 88 -33 0 c 88 0.9 0.0 + -1 e 1 360 etot 9.7900E+33 mv 1 35 100 -185 0 + 4 e 200 348 etot -8.2623E+01 mv 1 35 196 -194 0 + 4 e 290 340 etot -8.0345E+01 mv 1 35 135 -156 0 + -1 e 1 365 etot 1.3528E+20 mv 1 35 110 -65 0 + 4 e 160 345 etot -8.4556E+01 mv 1 35 43 -68 0 c 43 1.8 0.0 + 4 e 299 341 etot -8.3290E+01 mv 1 35 43 -148 0 + 4 e 282 344 etot -8.4555E+01 mv 1 35 43 -44 0 + 4 e 370 330 etot -7.4052E+01 mv 1 35 12 -96 0 + 4 e 409 326 etot -7.3389E+01 mv 1 35 12 -107 0 + 4 e 362 323 etot -8.1486E+01 mv 1 35 162 -51 0 + 4 e 329 343 etot -8.1036E+01 mv 1 35 43 -115 0 + 4 e 170 357 etot -7.7203E+01 mv 1 35 100 -4 0 + 4 e 176 355 etot -7.3397E+01 mv 1 35 88 -34 0 + 4 e 449 317 etot -8.4780E+01 mv 1 35 154 -76 0 + 4 e 469 327 etot -8.1212E+01 mv 1 35 12 -5 0 + 4 e 677 290 etot -6.4663E+01 mv 2 35 20 -100 0 + 4 e 145 354 etot -7.5255E+01 mv 1 35 88 -150 0 + 4 e 149 356 etot -8.3874E+01 mv 1 35 100 -2 0 + 4 e 488 333 etot -7.9651E+01 mv 1 35 90 -118 0 + 4 e 328 350 etot -7.9598E+01 mv 1 35 196 -99 0 + 4 e 226 359 etot -8.1790E+01 mv 1 35 100 -131 0 + 4 e 350 334 etot -7.8264E+01 mv 1 35 90 -175 0 + 4 e 490 318 etot -7.1874E+01 mv 1 35 154 -127 0 + 4 e 215 361 etot -8.3781E+01 mv 1 35 110 -76 0 + 4 e 352 338 etot -7.0669E+01 mv 1 35 135 -172 0 + 4 e 548 335 etot -8.5756E+01 mv 1 35 90 -186 0 c 90 94.1 0.8 + 4 e 363 352 etot -7.9319E+01 mv 1 35 88 -76 0 + 4 e 300 358 etot -7.4929E+01 mv 1 35 100 -9 0 + 4 e 369 342 etot -7.9267E+01 mv 1 35 43 -76 0 + 4 e 213 371 etot -6.9169E+01 mv 1 35 168 -190 0 + 4 e 290 362 etot -6.7006E+01 mv 1 35 110 -52 0 + 4 e 277 368 etot -7.2081E+01 mv 1 35 149 -80 0 + 4 e 292 366 etot -8.1943E+01 mv 1 35 149 -128 0 + 4 e 303 364 etot -8.3780E+01 mv 1 35 110 -116 0 + 4 e 367 347 etot -6.9306E+01 mv 1 35 196 -178 0 + 4 e 288 369 etot -8.1955E+01 mv 1 35 149 -89 0 + 4 e 384 363 etot -7.9156E+01 mv 1 35 110 -29 0 + 4 e 291 373 etot -8.0929E+01 mv 1 35 168 -136 0 + 4 e 290 375 etot -8.1915E+01 mv 1 35 168 -7 0 + 4 e 250 381 etot -6.7319E+01 mv 1 35 164 -161 0 + 4 e 264 377 etot -8.3337E+01 mv 1 35 29 -175 0 c 29 176.0 0.0 + 4 e 153 390 etot -8.6975E+01 mv 1 35 20 -122 0 c 20 1.5 0.0 + 4 e 373 370 etot -8.3869E+01 mv 1 35 149 -191 0 + 4 e 320 374 etot -8.3221E+01 mv 1 35 168 -35 0 + 4 e 289 367 etot -7.3783E+01 mv 1 35 149 -63 0 + 4 e 232 386 etot -8.4174E+01 mv 1 35 20 -84 0 + 4 e 232 380 etot -7.8930E+01 mv 1 35 29 -102 0 + 4 e 98 402 etot -8.6982E+01 mv 0 35 9 0 0 + 4 e 199 385 etot -8.3280E+01 mv 1 35 164 -180 0 + 4 e 172 391 etot -8.7419E+01 mv 1 35 139 -23 0 + 4 e 103 403 etot -8.6676E+01 mv 0 35 106 0 0 + 4 e 274 388 etot -7.9215E+01 mv 1 35 20 -197 0 + 4 e 99 405 etot -8.5372E+01 mv 0 35 162 0 0 c 162 1.0 0.0 + 4 e 144 401 etot -9.0799E+01 mv 0 35 68 0 0 c 68 1.6 0.0 + 4 e 276 376 etot -8.2229E+01 mv 1 35 29 -149 0 + 4 e 272 379 etot -8.3299E+01 mv 1 35 29 -174 0 + 4 e 118 406 etot -8.5166E+01 mv 0 35 12 0 0 c 12 1.5 0.0 + 4 e 143 404 etot -8.5947E+01 mv 0 35 154 0 0 c 154 1.1 0.0 +## N0 total= 21 close= 15 far= 0 %acc 71.4 +## N1 total= 99 close= 8 far= 2 %acc 10.1 +## N2 total= 100 close= 10 far= 2 %acc 12.0 +## N3 total= 0 close= 0 far= 0 %acc 0.0 +## N4 total= 0 close= 0 far= 0 %acc 0.0 +## N5 total= 0 close= 0 far= 0 %acc 0.0 +## N6 total= 200 close= 29 far= 4 %acc 16.5 +## N7 total= 0 close= 0 far= 0 %acc 0.0 +## N8 total= 0 close= 0 far= 0 %acc 0.0 +## N9 total= 0 close= 0 far= 0 %acc 0.0 +##N10 total= 0 close= 0 far= 0 %acc 0.0 +##N11 total= 0 close= 0 far= 0 %acc 0.0 +##N12 total= 0 close= 0 far= 0 %acc 0.0 +##N13 total= 0 close= 0 far= 0 %acc 0.0 +##N14 total= 0 close= 0 far= 0 %acc 0.0 +##N15 total= 0 close= 0 far= 0 %acc 0.0 +##N16 total= 0 close= 0 far= 0 %acc 0.0 +##N17 total= 0 close= 0 far= 0 %acc 0.0 +##N18 total= 0 close= 0 far= 0 %acc 0.0 + Time for refresh 36 0.35 + make_var : nseed= 20 ntry= 420 + Time for make trial 37 0.05 +Nonsetup time 80.43 sec, Eval/s = 56443.44 +Time for iter 37 1.94 sec, Eval/s = 62722.58 + UPDATING 420 + 4 e 119 414 etot -8.3870E+01 mv 0 35 149 0 0 + 4 e 103 420 etot -8.3229E+01 mv 0 35 131 0 0 + 4 e 275 400 etot -8.3229E+01 mv 1 35 131 -45 0 + 4 e 332 392 etot -7.8428E+01 mv 1 35 139 -84 0 + 4 e 471 393 etot -8.3993E+01 mv 1 35 139 -57 0 + 4 e 441 398 etot -7.7398E+01 mv 1 35 131 -62 0 + 4 e 110 415 etot -8.3555E+01 mv 0 35 168 0 0 + 4 e 95 413 etot -8.3781E+01 mv 0 35 110 0 0 c 110 0.7 0.0 + 4 e 62 410 etot -8.4309E+01 mv 0 35 196 0 0 + 4 e 130 419 etot -8.7420E+01 mv 0 35 139 0 0 + -1 e 1 2 etot 1.3528E+20 mv 6 36 131 64 0 + 4 e 552 383 etot -8.3030E+01 mv 1 35 164 -109 0 + 4 e 297 394 etot -6.0350E+01 mv 1 35 139 -196 0 + 4 e 138 408 etot -8.4618E+01 mv 0 35 135 0 0 + 4 e 90 416 etot -8.3299E+01 mv 0 35 29 0 0 + 4 e 292 395 etot -8.6160E+01 mv 1 35 139 -138 0 + 4 e 486 382 etot -8.4489E+01 mv 1 35 164 -31 0 + 4 e 400 389 etot -7.4150E+01 mv 1 35 20 -99 0 + 4 e 221 399 etot -8.3229E+01 mv 1 35 131 -74 0 + 4 e 272 396 etot -8.3229E+01 mv 1 35 131 -134 0 + 4 e 426 384 etot -8.0722E+01 mv 1 35 164 -169 0 + 4 e 131 417 etot -8.3280E+01 mv 0 35 164 0 0 + 4 e 115 407 etot -8.4901E+01 mv 0 35 90 0 0 + 4 e 353 372 etot -6.5110E+01 mv 1 35 168 -116 0 + 4 e 199 397 etot -6.5869E+01 mv 1 35 131 -34 0 + -1 e 1 18 etot 1.3528E+20 mv 6 36 133 124 0 + -1 e 1 19 etot 1.3528E+20 mv 6 36 133 172 0 + 4 e 149 412 etot -8.3874E+01 mv 0 35 100 0 0 + -1 e 1 21 etot 1.3528E+20 mv 6 36 17 26 0 + 4 e 623 378 etot -8.4319E+01 mv 1 35 29 -49 0 c 29 196.4 1.0 + 4 e 287 387 etot -7.7845E+01 mv 1 35 20 -10 0 + 4 e 91 409 etot -8.4556E+01 mv 0 35 43 0 0 c 43 0.5 0.0 + 4 e 116 411 etot -8.4310E+01 mv 0 35 88 0 0 c 88 0.9 0.0 + 4 e 78 418 etot -8.6975E+01 mv 0 35 20 0 0 c 20 0.9 0.0 + 4 e 699 328 etot -8.7490E+01 mv 1 35 12 -27 0 + -1 e 1 32 etot 1.3528E+20 mv 6 36 54 21 0 + 4 e 18 31 etot -8.5426E+01 mv 6 36 54 48 0 c 48 0.0 0.0 + 4 e 52 5 etot -8.5571E+01 mv 6 36 131 199 0 c 199 0.2 0.0 + 4 e 109 24 etot -8.5043E+01 mv 6 36 17 149 0 c 149 1.1 0.0 + 4 e 194 29 etot -9.2302E+01 mv 6 36 17 66 0 c 17 1.9 0.0 + 4 e 216 1 etot -8.4762E+01 mv 6 36 131 35 0 + 4 e 245 3 etot -8.4132E+01 mv 6 36 131 133 0 c 131 5.5 0.0 + 4 e 248 38 etot -8.9161E+01 mv 6 36 54 87 0 c 174 56.3 1.0 + 4 e 230 8 etot -7.3444E+01 mv 6 36 131 67 0 + 4 e 243 9 etot -7.8864E+01 mv 6 36 131 68 0 + 4 e 215 12 etot -8.6734E+01 mv 6 36 133 193 0 + 4 e 265 13 etot -8.6734E+01 mv 6 36 133 117 0 + 4 e 277 16 etot -8.5760E+01 mv 6 36 133 166 0 + 4 e 263 17 etot -8.5479E+01 mv 6 36 133 19 0 + 4 e 297 14 etot -8.7868E+01 mv 6 36 133 83 0 c 9 75.7 0.1 + 4 e 289 27 etot -9.2302E+01 mv 6 36 17 66 0 + 4 e 208 20 etot -8.6734E+01 mv 6 36 133 38 0 c 133 1.0 0.0 + -1 e 1 40 etot 1.3528E+20 mv 6 36 54 68 0 + 4 e 276 25 etot -9.2302E+01 mv 6 36 17 20 0 + 4 e 203 28 etot -9.0287E+01 mv 6 36 17 132 0 + 4 e 308 15 etot -7.2654E+01 mv 6 36 133 195 0 + -1 e 1 41 etot 1.3528E+20 mv 6 36 135 147 0 + 4 e 303 34 etot -7.3449E+01 mv 6 36 54 72 0 + 4 e 345 37 etot -7.0614E+01 mv 6 36 54 199 0 + 4 e 323 36 etot -8.0800E+01 mv 6 36 54 164 0 + 4 e 376 22 etot -8.4617E+01 mv 6 36 17 60 0 + 4 e 338 33 etot -8.0460E+01 mv 6 36 54 104 0 + 4 e 386 7 etot -8.1721E+01 mv 6 36 131 10 0 + 4 e 402 6 etot -8.3511E+01 mv 6 36 131 143 0 + 4 e 416 4 etot -8.0003E+01 mv 6 36 131 86 0 + 4 e 362 35 etot -7.2214E+01 mv 6 36 54 59 0 + -1 e 1 66 etot 1.3528E+20 mv 6 36 175 188 0 + 4 e 445 11 etot -8.6501E+01 mv 6 36 133 68 0 + 4 e 445 23 etot -8.0073E+01 mv 6 36 17 44 0 + 4 e 446 30 etot -8.2345E+01 mv 6 36 17 109 0 + 4 e 208 51 etot -8.6896E+01 mv 6 36 90 139 0 + 4 e 368 39 etot -8.0396E+01 mv 6 36 54 4 0 + 4 e 153 68 etot -8.0104E+01 mv 6 36 175 173 0 + -1 e 1 73 etot 1.3528E+20 mv 6 36 164 177 0 + 4 e 204 54 etot -7.9611E+01 mv 6 36 90 174 0 + 4 e 576 26 etot -9.1349E+01 mv 6 36 17 66 0 + 4 e 253 42 etot -8.6913E+01 mv 6 36 135 82 0 + 4 e 251 57 etot -7.8459E+01 mv 6 36 90 173 0 + -1 e 1 77 etot 1.3528E+20 mv 6 36 164 41 0 + 4 e 220 55 etot -8.4236E+01 mv 6 36 90 139 0 + 4 e 18 80 etot -8.6812E+01 mv 6 36 164 34 0 c 34 0.0 0.0 + 4 e 46 76 etot -8.7515E+01 mv 6 36 164 125 0 c 125 0.3 0.0 + 4 e 214 59 etot -8.2763E+01 mv 6 36 90 78 0 + 4 e 538 10 etot -7.8438E+01 mv 6 36 131 67 0 + 4 e 253 46 etot -8.2824E+01 mv 6 36 135 183 0 + -1 e 1 85 etot 1.3528E+20 mv 6 36 25 166 0 + 4 e 280 44 etot -7.5569E+01 mv 6 36 135 199 0 + 4 e 377 49 etot -7.9422E+01 mv 6 36 135 32 0 + 4 e 330 48 etot -9.0022E+01 mv 6 36 135 97 0 c 6 107.4 2.5 + 4 e 218 60 etot -8.7959E+01 mv 6 36 90 194 0 c 137 126.1 0.0 + 4 e 312 65 etot -8.7949E+01 mv 6 36 175 134 0 c 13 100.0 0.6 + 4 e 450 43 etot -7.9388E+01 mv 6 36 135 115 0 + 4 e 425 52 etot -8.5096E+01 mv 6 36 90 29 0 + -1 e 1 93 etot 1.3528E+20 mv 6 36 106 185 0 + -1 e 1 94 etot 1.3528E+20 mv 6 36 106 139 0 + 4 e 81 83 etot -8.3357E+01 mv 6 36 25 19 0 c 19 0.3 0.0 + 4 e 219 67 etot -8.2436E+01 mv 6 36 175 87 0 + 4 e 398 50 etot -9.0079E+01 mv 6 36 135 76 0 + -1 e 1 98 etot 1.3528E+20 mv 6 36 106 142 0 + 4 e 390 63 etot -8.3670E+01 mv 6 36 175 10 0 + 4 e 298 58 etot -8.2164E+01 mv 6 36 90 166 0 + 4 e 330 53 etot -7.5548E+01 mv 6 36 90 145 0 + 4 e 371 45 etot -8.7826E+01 mv 6 36 135 120 0 c 135 80.1 1.0 + 4 e 461 56 etot -8.1055E+01 mv 6 36 90 7 0 + 4 e 218 86 etot -8.4655E+01 mv 6 36 25 40 0 c 25 3.7 0.0 + 4 e 548 47 etot -9.0079E+01 mv 6 36 135 79 0 + 4 e 351 79 etot -8.3449E+01 mv 6 36 164 167 0 + 4 e 455 71 etot -6.9552E+01 mv 6 36 164 106 0 + 4 e 281 84 etot -7.9663E+01 mv 6 36 25 60 0 + 4 e 377 61 etot -8.2588E+01 mv 6 36 175 103 0 + 4 e 397 74 etot -7.7931E+01 mv 6 36 164 87 0 + -1 e 1 111 etot 1.3528E+20 mv 6 36 127 176 0 + 4 e 414 78 etot -8.6684E+01 mv 6 36 164 180 0 c 81 251.3 0.9 + -1 e 1 113 etot 1.3528E+20 mv 6 36 127 190 0 + 4 e 607 64 etot -8.5840E+01 mv 6 36 175 24 0 c 41 24.4 0.2 + -1 e 1 115 etot 1.3528E+20 mv 6 36 127 36 0 + 4 e 289 95 etot -8.5571E+01 mv 6 36 106 81 0 c 76 267.4 1.5 + 4 e 346 89 etot -9.0760E+01 mv 6 36 25 191 0 c 191 4.5 0.0 + -1 e 1 118 etot 1.3528E+20 mv 6 36 127 12 0 + 4 e 51 114 etot -8.6976E+01 mv 6 36 127 105 0 c 105 0.1 0.0 + 4 e 422 62 etot -7.9357E+01 mv 6 36 175 173 0 + 4 e 278 103 etot -8.4594E+01 mv 6 36 83 186 0 c 83 4.3 0.0 + 4 e 349 91 etot -9.0803E+01 mv 6 36 106 161 0 + 4 e 281 100 etot -8.4683E+01 mv 6 36 106 86 0 f 126 288.9 1.8 + 4 e 158 106 etot -7.1273E+01 mv 6 36 83 24 0 + 4 e 313 81 etot -8.6185E+01 mv 6 36 25 157 0 + 4 e 256 104 etot -8.7353E+01 mv 6 36 83 193 0 + 4 e 200 97 etot -8.8527E+01 mv 6 36 106 135 0 + 4 e 368 72 etot -8.5929E+01 mv 6 36 164 113 0 + 4 e 447 70 etot -8.4965E+01 mv 6 36 175 79 0 + 4 e 170 112 etot -8.6317E+01 mv 6 36 127 142 0 + 4 e 379 99 etot -8.5950E+01 mv 6 36 106 13 0 + 4 e 435 92 etot -8.2315E+01 mv 6 36 106 133 0 + 4 e 500 88 etot -8.5015E+01 mv 6 36 25 123 0 c 182 115.4 1.6 + 4 e 285 102 etot -8.5190E+01 mv 6 36 83 99 0 c 163 178.9 1.7 + 4 e 498 69 etot -8.5525E+01 mv 6 36 175 170 0 c 175 85.1 0.3 + 4 e 117 126 etot -6.5759E+01 mv 6 36 8 152 0 + 4 e 234 116 etot -8.4593E+01 mv 6 36 127 199 0 c 127 4.1 0.0 + 4 e 342 96 etot -7.6505E+01 mv 6 36 106 154 0 + 4 e 579 87 etot -8.3196E+01 mv 6 36 25 118 0 + 4 e 635 82 etot -8.4407E+01 mv 6 36 25 95 0 f 1 322.5 1.5 + 4 e 360 108 etot -8.0284E+01 mv 6 36 83 61 0 + 4 e 508 75 etot -6.7865E+01 mv 6 36 164 39 0 + 4 e 268 117 etot -7.4676E+01 mv 6 36 127 122 0 + 4 e 213 110 etot -8.5190E+01 mv 6 36 83 168 0 + 4 e 241 125 etot -7.2631E+01 mv 6 36 8 121 0 + 4 e 267 122 etot -8.1326E+01 mv 6 36 8 65 0 + 4 e 297 120 etot -8.5739E+01 mv 6 36 127 11 0 c 149 117.1 0.7 + 4 e 466 105 etot -8.4587E+01 mv 6 36 83 126 0 + 4 e 417 90 etot -7.9348E+01 mv 6 36 25 68 0 + -1 e 1 150 etot 1.3528E+20 mv 6 36 50 81 0 + 4 e 451 107 etot -8.7876E+01 mv 6 36 83 105 0 + 4 e 358 119 etot -8.5859E+01 mv 6 36 127 89 0 + 4 e 492 109 etot -7.9585E+01 mv 6 36 83 73 0 + 4 e 319 131 etot -8.5165E+01 mv 6 36 191 12 0 + 4 e 431 101 etot -7.7305E+01 mv 6 36 83 165 0 + 4 e 155 135 etot -9.0761E+01 mv 6 36 191 117 0 c 191 1.9 0.0 + 4 e 181 144 etot -8.4946E+01 mv 6 36 50 108 0 c 50 4.7 0.0 + 4 e 444 123 etot -8.4362E+01 mv 6 36 8 16 0 + 4 e 442 124 etot -8.2773E+01 mv 6 36 8 189 0 + -1 e 1 160 etot 1.3528E+20 mv 6 36 139 112 0 + -1 e 1 161 etot 1.3528E+20 mv 6 36 74 158 0 + 4 e 378 133 etot -7.9359E+01 mv 6 36 191 15 0 + 4 e 138 153 etot -8.7900E+01 mv 6 36 139 65 0 + 4 e 231 146 etot -7.2781E+01 mv 6 36 50 200 0 + 4 e 423 132 etot -7.9201E+01 mv 6 36 191 135 0 + 4 e 226 137 etot -8.7755E+01 mv 6 36 191 138 0 + 4 e 338 138 etot -8.0636E+01 mv 6 36 191 127 0 + -1 e 1 168 etot 1.3528E+20 mv 6 36 74 5 0 + 4 e 335 130 etot -8.7575E+01 mv 6 36 8 191 0 + -1 e 1 170 etot 1.3528E+20 mv 6 36 74 141 0 + 4 e 550 127 etot -8.2850E+01 mv 6 36 8 28 0 + -1 e 1 172 etot 1.3528E+20 mv 6 36 95 182 0 + 4 e 459 134 etot -8.5800E+01 mv 6 36 191 27 0 + 4 e 196 154 etot -8.6896E+01 mv 6 36 139 189 0 + 4 e 266 152 etot -8.0105E+01 mv 6 36 139 142 0 + 4 e 337 148 etot -8.3944E+01 mv 6 36 50 41 0 + 4 e 321 149 etot -8.3670E+01 mv 6 36 50 6 0 + 4 e 309 139 etot -8.3378E+01 mv 6 36 191 90 0 + -1 e 1 179 etot 1.3528E+20 mv 6 36 95 93 0 + 4 e 376 129 etot -7.8198E+01 mv 6 36 8 20 0 + 4 e 222 162 etot -6.0661E+01 mv 6 36 74 84 0 + 4 e 319 136 etot -7.8693E+01 mv 6 36 191 80 0 + 4 e 239 158 etot -8.3552E+01 mv 6 36 139 32 0 + 4 e 299 143 etot -6.9090E+01 mv 6 36 50 176 0 + 4 e 428 121 etot -7.9519E+01 mv 6 36 8 18 0 + -1 e 1 186 etot 1.3528E+20 mv 6 36 15 176 0 + 4 e 301 155 etot -7.8050E+01 mv 6 36 139 152 0 + 4 e 280 145 etot -8.6997E+01 mv 6 36 50 76 0 + 4 e 506 140 etot -7.6504E+01 mv 6 36 191 112 0 + 4 e 176 157 etot -8.7755E+01 mv 6 36 139 172 0 + 4 e 262 164 etot -8.2978E+01 mv 6 36 74 110 0 + 4 e 520 142 etot -7.8525E+01 mv 6 36 50 33 0 + 4 e 575 141 etot -8.7346E+01 mv 6 36 50 193 0 + 4 e 382 159 etot -8.4951E+01 mv 6 36 139 95 0 + 4 e 335 163 etot -8.5822E+01 mv 6 36 74 89 0 + -1 e 1 196 etot 1.3528E+20 mv 6 36 30 97 0 + -1 e 1 197 etot 1.3528E+20 mv 6 36 30 20 0 + 4 e 331 169 etot -8.3086E+01 mv 6 36 74 170 0 + 4 e 372 166 etot -8.1471E+01 mv 6 36 74 82 0 + -1 e 1 200 etot 1.3528E+20 mv 6 36 30 125 0 + 4 e 182 190 etot -8.9011E+01 mv 6 36 15 135 0 + 4 e 142 194 etot -7.1238E+01 mv 6 36 30 1 0 + 4 e 663 147 etot -7.9082E+01 mv 6 36 50 5 0 + 4 e 287 178 etot -8.2773E+01 mv 6 36 95 29 0 + 4 e 130 191 etot -6.2936E+01 mv 6 36 30 88 0 + 4 e 320 156 etot -8.7754E+01 mv 6 36 139 107 0 + -1 e 1 207 etot 1.3528E+20 mv 2 36 133 -189 0 + 4 e 264 184 etot -8.5048E+01 mv 6 36 15 87 0 + 4 e 199 193 etot -7.1195E+01 mv 6 36 30 161 0 + 4 e 595 128 etot -8.3773E+01 mv 6 36 8 151 0 f 96 305.0 0.8 + 4 e 378 173 etot -8.3140E+01 mv 6 36 95 83 0 + 4 e 223 180 etot -8.3861E+01 mv 6 36 95 15 0 c 95 3.1 0.0 + -1 e 1 213 etot 1.3528E+20 mv 2 36 17 -27 0 + 4 e 405 175 etot -7.5768E+01 mv 6 36 95 138 0 + 4 e 395 177 etot -8.5444E+01 mv 6 36 95 141 0 + 4 e 230 185 etot -8.7697E+01 mv 6 36 15 85 0 + 4 e 470 151 etot -8.4867E+01 mv 6 36 139 105 0 + 4 e 332 171 etot -8.3860E+01 mv 6 36 95 91 0 + 4 e 463 174 etot -8.4087E+01 mv 6 36 95 149 0 + 4 e 130 205 etot -8.4133E+01 mv 2 36 131 -80 0 c 131 1.6 0.0 + 4 e 182 202 etot -6.0216E+01 mv 2 36 131 -34 0 + 4 e 574 165 etot -8.5547E+01 mv 6 36 74 179 0 + 4 e 524 176 etot -7.4783E+01 mv 6 36 95 129 0 + 4 e 455 182 etot -8.5906E+01 mv 6 36 15 70 0 + 4 e 415 188 etot -7.9248E+01 mv 6 36 15 163 0 + 4 e 315 181 etot -7.9847E+01 mv 6 36 15 59 0 + 4 e 362 198 etot -8.0616E+01 mv 6 36 30 55 0 + 4 e 334 199 etot -8.5738E+01 mv 6 36 30 57 0 + 4 e 168 220 etot -8.2318E+01 mv 2 36 54 -32 0 + 4 e 338 201 etot -8.3919E+01 mv 2 36 131 -66 0 + 4 e 206 216 etot -8.7436E+01 mv 2 36 54 -93 0 + 4 e 518 192 etot -8.1574E+01 mv 6 36 30 151 0 + 4 e 197 214 etot -7.6289E+01 mv 2 36 17 -126 0 + 4 e 449 195 etot -7.2784E+01 mv 6 36 30 195 0 + 4 e 177 218 etot -7.3431E+01 mv 2 36 54 -175 0 + -1 e 1 236 etot 1.3528E+20 mv 2 36 164 -144 0 + 4 e 373 183 etot -8.3012E+01 mv 6 36 15 110 0 + 4 e 226 222 etot -7.3085E+01 mv 2 36 135 -136 0 + 4 e 366 187 etot -8.8082E+01 mv 6 36 15 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-8.5456E+01 mv 2 36 175 -8 0 + 4 e 635 209 etot -7.9266E+01 mv 2 36 133 -57 0 + 4 e 171 250 etot -8.9260E+01 mv 2 36 106 -120 0 c 106 3.9 0.0 + 4 e 375 219 etot -8.1891E+01 mv 2 36 54 -17 0 + 4 e 353 239 etot -8.0014E+01 mv 2 36 164 -78 0 + 4 e 335 241 etot -7.4771E+01 mv 2 36 25 -31 0 + -1 e 1 266 etot 1.3528E+20 mv 2 36 191 -153 0 + -1 e 1 267 etot 1.3528E+20 mv 2 36 191 -45 0 + 4 e 196 245 etot -8.4655E+01 mv 2 36 25 -109 0 c 25 1.9 0.0 + 4 e 462 211 etot -8.9056E+01 mv 2 36 17 -122 0 + 4 e 551 224 etot -7.7971E+01 mv 2 36 135 -35 0 + 4 e 152 255 etot -8.4595E+01 mv 2 36 83 -123 0 c 83 2.2 0.0 + 4 e 164 260 etot -8.4593E+01 mv 2 36 127 -107 0 c 127 1.8 0.0 + 4 e 459 232 etot -8.3200E+01 mv 2 36 175 -150 0 + 4 e 676 215 etot -9.2302E+01 mv 2 36 17 -70 0 + 4 e 280 247 etot -7.2785E+01 mv 2 36 106 -112 0 + 4 e 492 208 etot -8.2393E+01 mv 2 36 133 -70 0 + 4 e 231 258 etot -6.7133E+01 mv 2 36 127 -161 0 + 4 e 211 251 etot -8.4595E+01 mv 2 36 83 -126 0 + 4 e 389 227 etot -8.0364E+01 mv 2 36 90 -4 0 + 4 e 179 263 etot -8.2930E+01 mv 2 36 8 -121 0 + 4 e 362 234 etot -7.1660E+01 mv 2 36 175 -193 0 + 4 e 344 237 etot -6.8779E+01 mv 2 36 164 -79 0 + 4 e 342 238 etot -8.2998E+01 mv 2 36 164 -23 0 f 23 379.0 0.0 + -1 e 1 283 etot 1.3528E+20 mv 2 36 74 -94 0 + 4 e 338 252 etot -6.8238E+01 mv 2 36 83 -118 0 + 4 e 138 276 etot -8.7900E+01 mv 2 36 139 -108 0 c 139 1.1 0.0 + 4 e 355 253 etot -8.4685E+01 mv 2 36 83 -113 0 c 83 73.6 0.1 + 4 e 502 242 etot -8.2196E+01 mv 2 36 25 -14 0 + 4 e 512 244 etot -7.8801E+01 mv 2 36 25 -24 0 + 4 e 214 264 etot -7.7404E+01 mv 2 36 8 -6 0 + 4 e 235 275 etot -8.4946E+01 mv 2 36 50 -188 0 + -1 e 1 292 etot 1.3528E+20 mv 2 36 15 -170 0 + 4 e 289 259 etot -7.2211E+01 mv 2 36 127 -13 0 + 4 e 391 262 etot -7.5650E+01 mv 2 36 8 -117 0 + 4 e 469 257 etot -7.5946E+01 mv 2 36 127 -30 0 + 4 e 343 271 etot -7.7359E+01 mv 2 36 50 -2 0 + 4 e 358 265 etot -8.4308E+01 mv 2 36 8 -59 0 + -1 e 1 298 etot 1.3528E+20 mv 2 36 30 -82 0 + 4 e 364 254 etot -7.3396E+01 mv 2 36 83 -136 0 + 4 e 253 269 etot -9.0761E+01 mv 2 36 191 -146 0 + 4 e 655 246 etot -8.5767E+01 mv 2 36 106 -173 0 + 4 e 318 278 etot -7.8486E+01 mv 2 36 139 -117 0 + 4 e 406 274 etot -7.8346E+01 mv 2 36 50 -126 0 + 4 e 754 243 etot -8.0921E+01 mv 2 36 25 -126 0 + 4 e 534 261 etot -8.3930E+01 mv 2 36 8 -58 0 + 4 e 518 240 etot -7.9139E+01 mv 2 36 164 -93 0 + -1 e 1 307 etot 1.3528E+20 mv 1 36 133 -2 0 + 4 e 253 280 etot -8.0009E+01 mv 2 36 139 -175 0 + 4 e 491 268 etot -8.1568E+01 mv 2 36 191 -41 0 + 4 e 324 289 etot -8.3092E+01 mv 2 36 95 -134 0 + 4 e 253 293 etot -7.4821E+01 mv 2 36 15 -7 0 + 4 e 528 272 etot -7.4684E+01 mv 2 36 50 -62 0 + 4 e 336 277 etot -7.3169E+01 mv 2 36 139 -34 0 + 4 e 378 270 etot -9.0746E+01 mv 2 36 191 -182 0 + 4 e 551 273 etot -7.3043E+01 mv 2 36 50 -35 0 + 4 e 454 281 etot -8.6287E+01 mv 2 36 74 -109 0 c 74 126.7 2.2 + -1 e 1 317 etot 1.3528E+20 mv 1 36 54 -12 0 + -1 e 1 318 etot 1.3528E+20 mv 1 36 54 -182 0 + 4 e 455 287 etot -7.3572E+01 mv 2 36 95 -163 0 + 4 e 445 288 etot -7.9698E+01 mv 2 36 95 -110 0 + 4 e 346 284 etot -7.3607E+01 mv 2 36 74 -49 0 + 4 e 182 301 etot -8.4434E+01 mv 1 36 131 -39 0 c 131 32.6 0.3 + 4 e 192 306 etot -8.6734E+01 mv 1 36 133 -121 0 c 133 1.3 0.0 + 4 e 217 304 etot -7.7716E+01 mv 1 36 131 -44 0 + 4 e 470 290 etot -8.2574E+01 mv 2 36 95 -152 0 + 4 e 350 297 etot -6.3819E+01 mv 2 36 30 -170 0 + 4 e 303 302 etot -7.6210E+01 mv 1 36 131 -44 0 + 4 e 211 310 etot -8.6068E+01 mv 1 36 133 -161 0 + 4 e 298 294 etot -8.9161E+01 mv 2 36 15 -9 0 c 15 4.7 0.0 + 4 e 342 303 etot -7.3439E+01 mv 1 36 131 -61 0 + 4 e 637 286 etot -8.3998E+01 mv 2 36 95 -199 0 c 114 119.6 0.6 + 4 e 464 296 etot -8.5277E+01 mv 2 36 30 -173 0 c 30 16.3 0.2 + 4 e 422 299 etot -8.3777E+01 mv 2 36 30 -2 0 + 4 e 447 282 etot -7.5295E+01 mv 2 36 74 -79 0 + 4 e 227 308 etot -7.7141E+01 mv 1 36 133 -160 0 + 4 e 502 295 etot -8.4204E+01 mv 2 36 15 -23 0 + 4 e 306 313 etot -9.0848E+01 mv 1 36 17 -99 0 + 4 e 534 279 etot -8.1232E+01 mv 2 36 139 -18 0 + 4 e 259 320 etot -8.8565E+01 mv 1 36 54 -126 0 c 54 1.6 0.0 + 4 e 211 328 etot -7.4049E+01 mv 1 36 90 -48 0 + 4 e 326 319 etot -7.9622E+01 mv 1 36 54 -85 0 + 4 e 278 325 etot -7.5451E+01 mv 1 36 135 -121 0 + 4 e 196 323 etot -8.6848E+01 mv 1 36 135 -26 0 + 4 e 269 327 etot -7.0926E+01 mv 1 36 90 -86 0 + 4 e 373 316 etot -8.6219E+01 mv 1 36 54 -131 0 + 4 e 430 311 etot -9.1100E+01 mv 1 36 17 -2 0 + 4 e 157 337 etot -6.9751E+01 mv 1 36 164 -114 0 + 4 e 334 324 etot -8.2655E+01 mv 1 36 135 -85 0 + 4 e 196 334 etot -8.4671E+01 mv 1 36 175 -82 0 + 4 e 502 291 etot -8.2635E+01 mv 2 36 15 -131 0 + 4 e 299 326 etot -8.3616E+01 mv 1 36 90 -21 0 + 4 e 306 315 etot -9.1847E+01 mv 1 36 17 -21 0 + 4 e 244 322 etot -7.8121E+01 mv 1 36 135 -164 0 + 4 e 346 329 etot -8.4755E+01 mv 1 36 90 -60 0 + 4 e 419 321 etot -8.1130E+01 mv 1 36 135 -143 0 + 4 e 281 332 etot -7.9535E+01 mv 1 36 175 -178 0 + 4 e 631 305 etot -8.2377E+01 mv 1 36 131 -129 0 + 4 e 180 341 etot -8.4655E+01 mv 1 36 25 -163 0 + 4 e 543 312 etot -8.6377E+01 mv 1 36 17 -45 0 + 4 e 210 335 etot -8.5190E+01 mv 1 36 175 -54 0 + 4 e 433 309 etot -8.6188E+01 mv 1 36 133 -56 0 + 4 e 265 330 etot -8.5757E+01 mv 1 36 90 -67 0 c 90 3.5 0.0 + 4 e 682 285 etot -7.4932E+01 mv 2 36 74 -173 0 + 4 e 543 300 etot -8.5277E+01 mv 2 36 30 -9 0 + 4 e 424 314 etot -9.1100E+01 mv 1 36 17 -139 0 + 4 e 281 340 etot -8.4709E+01 mv 1 36 164 -128 0 c 164 2.0 0.0 + 4 e 202 350 etot -8.9260E+01 mv 1 36 106 -192 0 + 4 e 237 345 etot -7.7507E+01 mv 1 36 25 -35 0 + 4 e 417 333 etot -8.6521E+01 mv 1 36 175 -188 0 + 4 e 256 346 etot -8.7757E+01 mv 1 36 106 -181 0 + 4 e 521 331 etot -7.4748E+01 mv 1 36 175 -38 0 + 4 e 340 347 etot -7.4810E+01 mv 1 36 106 -162 0 + 4 e 281 339 etot -7.1470E+01 mv 1 36 164 -48 0 + -1 e 1 374 etot 1.3528E+20 mv 1 36 50 -9 0 + 4 e 348 336 etot -7.1927E+01 mv 1 36 164 -68 0 + 4 e 325 349 etot -7.7577E+01 mv 1 36 106 -189 0 + 4 e 408 342 etot -7.2635E+01 mv 1 36 25 -192 0 + 4 e 248 344 etot -8.4655E+01 mv 1 36 25 -46 0 c 25 2.3 0.0 + 4 e 214 359 etot -8.4299E+01 mv 1 36 127 -53 0 + 4 e 311 352 etot -7.8830E+01 mv 1 36 83 -103 0 + 4 e 340 348 etot -8.9123E+01 mv 1 36 106 -81 0 + 4 e 236 353 etot -8.0867E+01 mv 1 36 83 -159 0 + 4 e 168 361 etot -8.4364E+01 mv 1 36 8 -120 0 c 8 2.7 0.0 + 4 e 257 360 etot -7.4960E+01 mv 1 36 127 -174 0 + 4 e 320 357 etot -7.0509E+01 mv 1 36 127 -133 0 + 8 e 2 383 etot 2.0968E+06 mv 1 36 74 -65 0 + 4 e 452 343 etot -8.2806E+01 mv 1 36 25 -197 0 + 4 e 354 355 etot -7.5594E+01 mv 1 36 83 -27 0 + 4 e 286 354 etot -7.5183E+01 mv 1 36 83 -23 0 + 4 e 187 365 etot -8.2953E+01 mv 1 36 8 -80 0 + 4 e 282 368 etot -9.0761E+01 mv 1 36 191 -2 0 + 4 e 203 366 etot -9.0761E+01 mv 1 36 191 -163 0 + 4 e 217 364 etot -8.4401E+01 mv 1 36 8 -92 0 c 8 80.7 0.0 + 4 e 306 367 etot -8.2522E+01 mv 1 36 191 -90 0 + 4 e 281 370 etot -9.0435E+01 mv 1 36 191 -57 0 + 4 e 428 356 etot -8.4973E+01 mv 1 36 127 -89 0 c 127 122.1 0.4 + 4 e 638 338 etot -8.3968E+01 mv 1 36 164 -95 0 + -1 e 1 398 etot 1.3528E+20 mv 1 36 30 -74 0 + 4 e 209 378 etot -8.3536E+01 mv 1 36 139 -128 0 + 4 e 452 358 etot -8.0547E+01 mv 1 36 127 -169 0 + 4 e 284 372 etot -7.6651E+01 mv 1 36 50 -80 0 + 4 e 372 371 etot -8.6207E+01 mv 1 36 50 -14 0 + 4 e 406 369 etot -7.8368E+01 mv 1 36 191 -86 0 + 4 e 276 382 etot -7.4147E+01 mv 1 36 74 -120 0 + 4 e 324 373 etot -7.4933E+01 mv 1 36 50 -187 0 + 4 e 100 401 etot -8.4133E+01 mv 0 36 131 0 0 + 4 e 356 380 etot -8.4768E+01 mv 1 36 139 -83 0 + 4 e 371 377 etot -8.2848E+01 mv 1 36 139 -58 0 + 4 e 109 402 etot -8.6734E+01 mv 0 36 133 0 0 c 133 0.9 0.0 + 4 e 369 381 etot -8.4199E+01 mv 1 36 74 -112 0 + 4 e 100 403 etot -9.2303E+01 mv 0 36 17 0 0 c 17 0.6 0.0 + 4 e 193 407 etot -8.5190E+01 mv 0 36 175 0 0 + 4 e 101 404 etot -8.8566E+01 mv 0 36 54 0 0 c 54 1.1 0.0 + 4 e 132 409 etot -8.4655E+01 mv 0 36 25 0 0 c 25 1.3 0.0 + 4 e 112 410 etot -8.9260E+01 mv 0 36 106 0 0 c 106 1.0 0.0 + 4 e 113 408 etot -8.4709E+01 mv 0 36 164 0 0 c 164 2.6 0.0 + 4 e 148 411 etot -8.4595E+01 mv 0 36 83 0 0 + 4 e 317 392 etot -7.1285E+01 mv 1 36 15 -167 0 + 4 e 153 406 etot -8.5757E+01 mv 0 36 90 0 0 c 90 2.1 0.0 +## N0 total= 24 close= 11 far= 0 %acc 45.8 +## N1 total= 96 close= 10 far= 0 %acc 10.4 +## N2 total= 100 close= 11 far= 1 %acc 12.0 +## N3 total= 0 close= 0 far= 0 %acc 0.0 +## N4 total= 0 close= 0 far= 0 %acc 0.0 +## N5 total= 0 close= 0 far= 0 %acc 0.0 +## N6 total= 200 close= 30 far= 3 %acc 16.5 +## N7 total= 0 close= 0 far= 0 %acc 0.0 +## N8 total= 0 close= 0 far= 0 %acc 0.0 +## N9 total= 0 close= 0 far= 0 %acc 0.0 +##N10 total= 0 close= 0 far= 0 %acc 0.0 +##N11 total= 0 close= 0 far= 0 %acc 0.0 +##N12 total= 0 close= 0 far= 0 %acc 0.0 +##N13 total= 0 close= 0 far= 0 %acc 0.0 +##N14 total= 0 close= 0 far= 0 %acc 0.0 +##N15 total= 0 close= 0 far= 0 %acc 0.0 +##N16 total= 0 close= 0 far= 0 %acc 0.0 +##N17 total= 0 close= 0 far= 0 %acc 0.0 +##N18 total= 0 close= 0 far= 0 %acc 0.0 + Time for refresh 37 0.27 + make_var : nseed= 20 ntry= 420 + Time for make trial 38 0.07 +Nonsetup time 82.30 sec, Eval/s = 56693.22 +Time for iter 38 1.87 sec, Eval/s = 67429.54 + UPDATING 420 + 4 e 490 388 etot -7.9237E+01 mv 1 36 95 -81 0 + 4 e 116 413 etot -8.4364E+01 mv 0 36 8 0 0 + 4 e 123 414 etot -9.0761E+01 mv 0 36 191 0 0 c 191 0.5 0.0 + 4 e 156 415 etot -8.4946E+01 mv 0 36 50 0 0 c 50 1.2 0.0 + 4 e 53 416 etot -8.7901E+01 mv 0 36 139 0 0 c 139 0.9 0.0 + 4 e 455 417 etot -8.6286E+01 mv 0 36 74 0 0 + 4 e 169 418 etot -8.3861E+01 mv 0 36 95 0 0 c 95 1.6 0.0 + 4 e 266 419 etot -8.9162E+01 mv 0 36 15 0 0 c 15 1.1 0.0 + 4 e 531 420 etot -8.5278E+01 mv 0 36 30 0 0 c 30 1.8 0.0 + 4 e 413 385 etot -8.6288E+01 mv 1 36 74 -57 0 c 74 2.3 0.0 + 4 e 470 397 etot -8.3673E+01 mv 1 36 30 -60 0 + 4 e 354 396 etot -7.3284E+01 mv 1 36 30 -163 0 + 4 e 331 386 etot -8.3860E+01 mv 1 36 95 -62 0 + 4 e 387 389 etot -8.3860E+01 mv 1 36 95 -110 0 + -1 e 1 5 etot 1.3528E+20 mv 6 37 75 135 0 + -1 e 1 7 etot 1.3528E+20 mv 6 37 75 139 0 + 4 e 134 412 etot -8.4593E+01 mv 0 36 127 0 0 + 4 e 386 395 etot -8.9161E+01 mv 1 36 15 -110 0 + 4 e 620 399 etot -8.5278E+01 mv 1 36 30 -199 0 c 30 3.6 0.0 + 4 e 331 400 etot -8.6711E+01 mv 1 36 30 -91 0 + 4 e 103 405 etot -8.6848E+01 mv 0 36 135 0 0 + 4 e 473 363 etot -8.1354E+01 mv 1 36 8 -190 0 + 4 e 372 375 etot -8.4946E+01 mv 1 36 50 -133 0 + 4 e 303 390 etot -7.9806E+01 mv 1 36 95 -191 0 + 4 e 471 362 etot -5.9826E+01 mv 1 36 8 -111 0 + 4 e 397 379 etot -8.7899E+01 mv 1 36 139 -140 0 + -1 e 1 19 etot 1.3528E+20 mv 6 37 174 103 0 + -1 e 1 20 etot 1.3528E+20 mv 6 37 174 181 0 + 4 e 284 391 etot -8.9022E+01 mv 1 36 15 -117 0 + 4 e 495 351 etot -8.4594E+01 mv 1 36 83 -60 0 + 4 e 270 384 etot -7.7010E+01 mv 1 36 74 -69 0 + 4 e 400 394 etot -8.9161E+01 mv 1 36 15 -64 0 + 4 e 477 376 etot -8.7898E+01 mv 1 36 139 -43 0 + -1 e 1 27 etot 1.3528E+20 mv 6 37 148 55 0 + 4 e 309 393 etot -8.0268E+01 mv 1 36 15 -141 0 + 4 e 328 387 etot -7.7828E+01 mv 1 36 95 -37 0 + -1 e 1 35 etot 1.3119E+34 mv 6 37 135 168 0 + 4 e 84 16 etot -8.5545E+01 mv 6 37 174 113 0 c 113 0.2 0.0 + 4 e 121 12 etot -8.4020E+01 mv 6 37 174 97 0 + 4 e 128 37 etot -6.9418E+01 mv 6 37 135 62 0 + 4 e 138 23 etot -8.8488E+01 mv 6 37 148 4 0 + 4 e 195 33 etot -9.0024E+01 mv 6 37 135 53 0 c 6 5.4 0.0 + 4 e 204 10 etot -8.0230E+01 mv 6 37 75 169 0 + 4 e 302 15 etot -7.1286E+01 mv 6 37 174 70 0 + 4 e 242 11 etot -8.5174E+01 mv 6 37 174 157 0 + 4 e 260 36 etot -8.8748E+01 mv 6 37 135 15 0 + 4 e 249 17 etot -7.9466E+01 mv 6 37 174 67 0 + 4 e 344 3 etot -8.3688E+01 mv 6 37 75 56 0 c 75 201.9 0.4 + 4 e 345 4 etot -8.5908E+01 mv 6 37 75 126 0 c 127 210.7 0.9 + 4 e 291 21 etot -8.8887E+01 mv 6 37 148 82 0 c 148 2.8 0.0 + 4 e 281 24 etot -8.4870E+01 mv 6 37 148 152 0 + 4 e 308 18 etot -9.1814E+01 mv 6 37 174 15 0 + 4 e 314 28 etot -8.7968E+01 mv 6 37 148 13 0 + 4 e 339 14 etot -8.2361E+01 mv 6 37 174 171 0 + 4 e 446 2 etot -8.3598E+01 mv 6 37 75 153 0 + 4 e 341 34 etot -8.7919E+01 mv 6 37 135 110 0 c 135 111.9 0.1 + 4 e 376 31 etot -6.7911E+01 mv 6 37 135 141 0 + 4 e 388 9 etot -8.6964E+01 mv 6 37 75 150 0 + -1 e 1 58 etot 1.3528E+20 mv 6 37 182 74 0 + 4 e 411 29 etot -7.1201E+01 mv 6 37 148 187 0 + 4 e 408 8 etot -8.3374E+01 mv 6 37 75 108 0 + 4 e 267 39 etot -7.6365E+01 mv 6 37 135 21 0 + 4 e 231 41 etot -8.7949E+01 mv 6 37 41 13 0 c 13 3.9 0.0 + 4 e 523 1 etot -8.2715E+01 mv 6 37 75 153 0 + 4 e 411 13 etot -8.8182E+01 mv 6 37 174 106 0 + 4 e 430 32 etot -7.9811E+01 mv 6 37 135 96 0 + 4 e 432 30 etot -8.0355E+01 mv 6 37 148 170 0 + 4 e 204 45 etot -7.9965E+01 mv 6 37 41 97 0 + 4 e 159 50 etot -7.4588E+01 mv 6 37 41 48 0 + 4 e 262 43 etot -8.5842E+01 mv 6 37 41 107 0 c 41 5.1 0.0 + 4 e 342 40 etot -9.0080E+01 mv 6 37 135 142 0 + 4 e 360 38 etot -7.8883E+01 mv 6 37 135 29 0 + 4 e 276 48 etot -8.1312E+01 mv 6 37 41 108 0 + 4 e 474 6 etot -8.1768E+01 mv 6 37 75 193 0 + 4 e 263 44 etot -8.5921E+01 mv 6 37 41 174 0 c 57 112.6 0.4 + 4 e 312 42 etot -8.6264E+01 mv 6 37 41 111 0 + 4 e 263 46 etot -8.6264E+01 mv 6 37 41 55 0 + 4 e 208 59 etot -8.0510E+01 mv 6 37 182 163 0 + 4 e 148 60 etot -8.6372E+01 mv 6 37 182 31 0 + 4 e 228 53 etot -8.5016E+01 mv 6 37 182 25 0 c 182 2.1 0.0 + -1 e 1 80 etot 2.9436E+20 mv 6 37 30 173 0 + 4 e 289 22 etot -8.6154E+01 mv 6 37 148 131 0 c 90 173.2 0.4 + 4 e 248 51 etot -8.3032E+01 mv 6 37 182 132 0 + 4 e 257 52 etot -7.0439E+01 mv 6 37 182 12 0 + 4 e 295 25 etot -8.8888E+01 mv 6 37 148 111 0 c 148 1.0 0.0 + 4 e 270 64 etot -8.3834E+01 mv 6 37 81 75 0 + 4 e 259 54 etot -8.5020E+01 mv 6 37 182 27 0 c 182 75.6 0.0 + -1 e 1 87 etot 1.3528E+20 mv 6 37 83 107 0 + 4 e 613 26 etot -8.3588E+01 mv 6 37 148 117 0 + -1 e 1 88 etot 1.3528E+20 mv 6 37 83 28 0 + 4 e 264 68 etot -7.7693E+01 mv 6 37 81 37 0 + 4 e 333 47 etot -8.1992E+01 mv 6 37 41 54 0 + 4 e 169 74 etot -6.6134E+01 mv 6 37 30 148 0 + 4 e 248 66 etot -8.5536E+01 mv 6 37 81 2 0 c 108 163.8 1.1 + 4 e 252 63 etot -8.7166E+01 mv 6 37 81 90 0 c 81 25.1 0.5 + 4 e 357 56 etot -7.9331E+01 mv 6 37 182 197 0 + 4 e 337 70 etot -8.5145E+01 mv 6 37 81 108 0 + 4 e 477 49 etot -7.8109E+01 mv 6 37 41 4 0 + 4 e 340 73 etot -7.9523E+01 mv 6 37 30 83 0 + 4 e 177 86 etot -7.8362E+01 mv 6 37 83 119 0 + 4 e 301 65 etot -8.6896E+01 mv 6 37 81 138 0 + 4 e 347 69 etot -8.3833E+01 mv 6 37 81 79 0 + 4 e 571 55 etot -8.7603E+01 mv 6 37 182 92 0 + 4 e 511 61 etot -8.7402E+01 mv 6 37 81 87 0 + 4 e 145 92 etot -8.6439E+01 mv 6 37 126 111 0 + 4 e 277 81 etot -7.9060E+01 mv 6 37 83 112 0 + 4 e 266 71 etot -8.0412E+01 mv 6 37 30 51 0 + 4 e 242 77 etot -7.9430E+01 mv 6 37 30 153 0 + 4 e 361 75 etot -7.0193E+01 mv 6 37 30 188 0 + -1 e 1 109 etot 8.8646E+21 mv 6 37 74 159 0 + 4 e 360 67 etot -8.2303E+01 mv 6 37 81 93 0 + 4 e 127 101 etot -6.1564E+01 mv 6 37 74 181 0 + -1 e 1 112 etot 1.3528E+20 mv 6 37 127 85 0 + 4 e 438 57 etot -8.0643E+01 mv 6 37 182 58 0 + 4 e 210 89 etot -8.4686E+01 mv 6 37 83 122 0 c 83 1.5 0.0 + 4 e 278 90 etot -8.1758E+01 mv 6 37 83 57 0 + 4 e 361 84 etot -7.2439E+01 mv 6 37 83 59 0 + 4 e 292 76 etot -8.5280E+01 mv 6 37 30 150 0 c 30 4.1 0.0 + -1 e 1 118 etot 1.3528E+20 mv 6 37 127 33 0 + 4 e 151 104 etot -7.7469E+01 mv 6 37 74 170 0 + -1 e 1 120 etot 1.3528E+20 mv 6 37 127 136 0 + 4 e 199 100 etot -8.4008E+01 mv 6 37 126 190 0 + 4 e 513 62 etot -9.0083E+01 mv 6 37 81 63 0 + 4 e 481 78 etot -8.2241E+01 mv 6 37 30 32 0 + 4 e 266 96 etot -8.4110E+01 mv 6 37 126 86 0 c 114 132.0 0.1 + 4 e 551 72 etot -8.4601E+01 mv 6 37 30 11 0 + -1 e 1 126 etot 1.3528E+20 mv 6 37 131 119 0 + 4 e 428 91 etot -7.6621E+01 mv 6 37 126 105 0 + 4 e 330 97 etot -8.4417E+01 mv 6 37 126 26 0 + 4 e 259 105 etot -8.6634E+01 mv 6 37 74 59 0 c 74 82.7 0.3 + 4 e 281 94 etot -8.9706E+01 mv 6 37 126 135 0 + 4 e 416 79 etot -7.6358E+01 mv 6 37 30 177 0 + 4 e 50 129 etot -8.5048E+01 mv 6 37 131 87 0 c 87 0.2 0.0 + 4 e 371 99 etot -8.6327E+01 mv 6 37 126 178 0 c 126 190.1 1.6 + 4 e 183 122 etot -8.4875E+01 mv 6 37 131 119 0 + 4 e 370 102 etot -8.4593E+01 mv 6 37 74 19 0 + 4 e 362 106 etot -8.6010E+01 mv 6 37 74 99 0 + 4 e 387 103 etot -8.3672E+01 mv 6 37 74 182 0 + -1 e 1 138 etot 1.3528E+20 mv 6 37 82 130 0 + 4 e 266 116 etot -8.0080E+01 mv 6 37 127 91 0 + 4 e 357 110 etot -8.6497E+01 mv 6 37 74 54 0 + -1 e 1 141 etot 1.3528E+20 mv 6 37 1 153 0 + 4 e 580 93 etot -8.4928E+01 mv 6 37 126 62 0 c 95 265.2 1.1 + 4 e 24 140 etot -8.4547E+01 mv 6 37 82 195 0 c 195 0.0 0.0 + 4 e 307 117 etot -8.6666E+01 mv 6 37 127 44 0 c 74 180.7 0.0 + 4 e 289 124 etot -8.2446E+01 mv 6 37 131 42 0 + 4 e 379 113 etot -8.5218E+01 mv 6 37 127 123 0 + 4 e 290 125 etot -8.4267E+01 mv 6 37 131 52 0 + 4 e 269 114 etot -8.6666E+01 mv 6 37 127 178 0 c 74 2.8 0.0 + 4 e 308 111 etot -8.3479E+01 mv 6 37 127 128 0 + 4 e 268 85 etot -8.5625E+01 mv 6 37 83 152 0 + 4 e 493 83 etot -7.5842E+01 mv 6 37 83 143 0 + -1 e 1 152 etot 1.3528E+20 mv 6 37 8 157 0 + 4 e 189 135 etot -8.1433E+01 mv 6 37 82 100 0 + -1 e 1 154 etot 1.3528E+20 mv 6 37 8 129 0 + -1 e 1 155 etot 1.3528E+20 mv 6 37 8 122 0 + 4 e 388 123 etot -8.2376E+01 mv 6 37 131 108 0 + 4 e 624 98 etot -8.3397E+01 mv 6 37 126 24 0 + 4 e 268 133 etot -8.4194E+01 mv 6 37 82 4 0 + 4 e 353 107 etot -7.9068E+01 mv 6 37 74 123 0 + 4 e 216 136 etot -8.5972E+01 mv 6 37 82 129 0 + 4 e 400 108 etot -7.9022E+01 mv 6 37 74 173 0 + 4 e 292 119 etot -7.7315E+01 mv 6 37 127 8 0 + -1 e 1 163 etot 1.3528E+20 mv 6 37 196 183 0 + 4 e 212 142 etot -8.4409E+01 mv 6 37 1 114 0 c 1 5.2 0.0 + 4 e 355 130 etot -7.5024E+01 mv 6 37 131 147 0 + 4 e 320 82 etot -8.5966E+01 mv 6 37 83 62 0 + 4 e 451 95 etot -7.4472E+01 mv 6 37 126 87 0 + 4 e 226 148 etot -6.3228E+01 mv 6 37 1 19 0 + 4 e 278 144 etot -7.8247E+01 mv 6 37 1 97 0 + 4 e 555 121 etot -7.5435E+01 mv 6 37 131 61 0 + 4 e 526 127 etot -8.2244E+01 mv 6 37 131 69 0 + -1 e 1 172 etot 1.3528E+20 mv 6 37 29 67 0 + 4 e 349 139 etot -8.4399E+01 mv 6 37 82 74 0 + 4 e 298 132 etot -8.8516E+01 mv 6 37 82 78 0 + 4 e 518 128 etot -7.1081E+01 mv 6 37 131 200 0 + 4 e 202 156 etot -8.4481E+01 mv 6 37 8 88 0 c 88 47.3 0.2 + 4 e 312 145 etot -8.1375E+01 mv 6 37 1 14 0 + 4 e 240 157 etot -8.4401E+01 mv 6 37 8 158 0 + 4 e 205 165 etot -8.2977E+01 mv 6 37 196 108 0 + 4 e 242 149 etot -8.6203E+01 mv 6 37 1 124 0 + 4 e 250 161 etot -7.9372E+01 mv 6 37 196 105 0 + 4 e 126 174 etot -8.8149E+01 mv 6 37 29 123 0 c 123 1.9 0.0 + 4 e 391 147 etot -7.2608E+01 mv 6 37 1 195 0 + -1 e 1 184 etot 1.3528E+20 mv 6 37 168 28 0 + 4 e 298 158 etot -8.8988E+01 mv 6 37 8 46 0 c 46 4.9 0.0 + 4 e 289 159 etot -7.3908E+01 mv 6 37 8 109 0 + 4 e 243 150 etot -8.6732E+01 mv 6 37 1 162 0 + -1 e 1 188 etot 2.0013E+23 mv 6 37 168 165 0 + 4 e 561 134 etot -8.2274E+01 mv 6 37 82 57 0 + 4 e 519 137 etot -8.5664E+01 mv 6 37 82 51 0 + 4 e 35 190 etot -8.6018E+01 mv 6 37 168 60 0 c 60 0.1 0.0 + 4 e 476 146 etot -8.4117E+01 mv 6 37 1 57 0 + 4 e 225 173 etot -6.9300E+01 mv 6 37 29 95 0 + 4 e 235 171 etot -7.5271E+01 mv 6 37 29 151 0 + 4 e 210 178 etot -8.3645E+01 mv 6 37 29 125 0 + 4 e 218 164 etot -7.6867E+01 mv 6 37 196 118 0 + 4 e 275 169 etot -8.0156E+01 mv 6 37 196 18 0 + 4 e 260 162 etot -7.2015E+01 mv 6 37 196 78 0 + 4 e 186 179 etot -8.2913E+01 mv 6 37 29 38 0 + 4 e 133 187 etot -7.2760E+01 mv 6 37 168 122 0 + 4 e 301 153 etot -7.9887E+01 mv 6 37 8 81 0 + -1 e 1 202 etot 1.3528E+20 mv 2 37 75 -17 0 + 4 e 576 143 etot -7.4387E+01 mv 6 37 1 116 0 + 4 e 500 131 etot -8.5663E+01 mv 6 37 82 23 0 + 4 e 425 166 etot -8.3028E+01 mv 6 37 196 135 0 + 4 e 354 170 etot -7.9848E+01 mv 6 37 196 95 0 + 4 e 231 182 etot -6.6116E+01 mv 6 37 168 43 0 + 4 e 298 160 etot -8.6642E+01 mv 6 37 8 139 0 + 4 e 247 186 etot -8.1950E+01 mv 6 37 168 90 0 + 4 e 309 168 etot -8.5445E+01 mv 6 37 196 123 0 + 4 e 265 183 etot -8.5045E+01 mv 6 37 168 160 0 + 4 e 370 151 etot -8.1771E+01 mv 6 37 8 94 0 + 4 e 370 176 etot -8.0389E+01 mv 6 37 29 199 0 + 4 e 695 115 etot -7.3580E+01 mv 6 37 127 19 0 + 4 e 257 192 etot -8.3999E+01 mv 6 37 114 24 0 + 4 e 209 200 etot -7.6563E+01 mv 6 37 114 159 0 + 4 e 374 180 etot -8.8489E+01 mv 6 37 29 123 0 + 4 e 310 194 etot -7.2614E+01 mv 6 37 114 44 0 + 4 e 306 195 etot -8.3999E+01 mv 6 37 114 132 0 + 4 e 418 185 etot -8.2147E+01 mv 6 37 168 133 0 + 4 e 316 196 etot -8.3999E+01 mv 6 37 114 53 0 + 4 e 540 177 etot -8.4318E+01 mv 6 37 29 199 0 + 4 e 405 191 etot -8.1909E+01 mv 6 37 114 130 0 + 4 e 344 198 etot -8.8050E+01 mv 6 37 114 15 0 c 74 207.6 1.4 + 4 e 339 201 etot -8.3374E+01 mv 2 37 75 -141 0 + 4 e 477 167 etot -7.2318E+01 mv 6 37 196 98 0 + 4 e 205 216 etot -6.9779E+01 mv 2 37 135 -22 0 + 4 e 209 209 etot -8.9161E+01 mv 2 37 174 -40 0 + 4 e 396 204 etot -8.3373E+01 mv 2 37 75 -4 0 + 4 e 372 189 etot -8.4500E+01 mv 6 37 168 177 0 + 4 e 232 217 etot -7.6816E+01 mv 2 37 135 -6 0 + 4 e 359 207 etot -6.9029E+01 mv 2 37 174 -73 0 + -1 e 1 232 etot 1.3528E+20 mv 2 37 81 -186 0 + 4 e 384 206 etot -8.0160E+01 mv 2 37 174 -144 0 + 4 e 220 213 etot -7.2362E+01 mv 2 37 148 -45 0 + 4 e 248 211 etot -8.7523E+01 mv 2 37 148 -66 0 + 4 e 353 212 etot -7.7242E+01 mv 2 37 148 -67 0 + 4 e 242 219 etot -8.2735E+01 mv 2 37 135 -30 0 + 4 e 210 221 etot 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etot -7.2874E+01 mv 2 37 83 -53 0 + 4 e 508 197 etot -8.0619E+01 mv 6 37 114 145 0 + 4 e 159 249 etot -7.4869E+01 mv 2 37 126 -99 0 + 4 e 234 229 etot -8.2902E+01 mv 2 37 182 -180 0 + 4 e 353 230 etot -8.3250E+01 mv 2 37 182 -131 0 + 4 e 250 243 etot -7.7101E+01 mv 2 37 83 -136 0 + 4 e 510 222 etot -4.7724E+01 mv 2 37 41 -129 0 + 4 e 287 240 etot -8.6156E+01 mv 2 37 30 -125 0 + 4 e 174 250 etot -8.4834E+01 mv 2 37 126 -152 0 + 4 e 315 238 etot -7.3088E+01 mv 2 37 30 -84 0 + 4 e 308 239 etot -8.3772E+01 mv 2 37 30 -160 0 + -1 e 1 270 etot 1.3528E+20 mv 2 37 82 -137 0 + 4 e 429 228 etot -7.0186E+01 mv 2 37 182 -143 0 + 4 e 304 231 etot -8.4072E+01 mv 2 37 81 -143 0 + 4 e 286 236 etot -8.4379E+01 mv 2 37 30 -57 0 + -1 e 1 274 etot 1.3528E+20 mv 2 37 1 -155 0 + 4 e 606 220 etot -8.3879E+01 mv 2 37 135 -183 0 f 59 276.4 0.8 + -1 e 1 276 etot 1.3528E+20 mv 2 37 8 -100 0 + 4 e 245 244 etot -8.4686E+01 mv 2 37 83 -123 0 c 83 2.1 0.0 + 4 e 348 245 etot -7.9341E+01 mv 2 37 83 -124 0 + 4 e 280 242 etot -5.3760E+01 mv 2 37 83 -165 0 + 4 e 510 233 etot -8.2682E+01 mv 2 37 81 -187 0 + 4 e 180 265 etot -6.8754E+01 mv 2 37 131 -110 0 + 4 e 174 266 etot -8.5972E+01 mv 2 37 82 -168 0 + 4 e 341 254 etot -8.6011E+01 mv 2 37 74 -98 0 c 149 240.2 0.3 + 4 e 208 264 etot -8.4434E+01 mv 2 37 131 -85 0 c 131 1.9 0.0 + 4 e 256 260 etot -7.9554E+01 mv 2 37 127 -72 0 + 4 e 426 248 etot -7.9910E+01 mv 2 37 126 -43 0 + 4 e 727 199 etot -8.1301E+01 mv 6 37 114 152 0 + 4 e 438 251 etot -7.6185E+01 mv 2 37 74 -148 0 + 4 e 244 272 etot -8.0175E+01 mv 2 37 1 -57 0 + 4 e 288 256 etot -8.0464E+01 mv 2 37 127 -159 0 + 4 e 429 237 etot -7.9290E+01 mv 2 37 30 -22 0 + 4 e 480 257 etot -6.3430E+01 mv 2 37 127 -191 0 + 4 e 327 271 etot -8.0223E+01 mv 2 37 1 -36 0 + -1 e 1 294 etot 1.3528E+20 mv 2 37 168 -27 0 + 4 e 603 246 etot -8.4085E+01 mv 2 37 126 -91 0 + -1 e 1 296 etot 1.3528E+20 mv 2 37 114 -175 0 + -1 e 1 297 etot 1.3528E+20 mv 2 37 114 -101 0 + 4 e 202 275 etot -8.4409E+01 mv 2 37 1 -9 0 c 1 3.2 0.0 + 4 e 192 286 etot -8.4320E+01 mv 2 37 29 -88 0 + 4 e 483 262 etot -7.6498E+01 mv 2 37 131 -100 0 + 4 e 247 283 etot -7.8400E+01 mv 2 37 196 -155 0 + 4 e 287 281 etot -7.9863E+01 mv 2 37 196 -122 0 + 4 e 591 255 etot -7.5799E+01 mv 2 37 74 -174 0 + 4 e 478 247 etot -7.4258E+01 mv 2 37 126 -70 0 + 4 e 312 282 etot -6.9209E+01 mv 2 37 196 -84 0 + 4 e 290 284 etot -7.2543E+01 mv 2 37 196 -53 0 + 4 e 384 279 etot -7.2376E+01 mv 2 37 8 -159 0 + 4 e 446 268 etot -8.4409E+01 mv 2 37 82 -68 0 + 4 e 168 288 etot -8.4320E+01 mv 2 37 29 -173 0 + 4 e 488 267 etot -8.1426E+01 mv 2 37 82 -110 0 + -1 e 1 311 etot 1.3528E+20 mv 1 37 148 -142 0 + 4 e 273 280 etot -8.4401E+01 mv 2 37 8 -80 0 + 4 e 422 259 etot -8.4972E+01 mv 2 37 127 -54 0 + 4 e 253 290 etot -8.4320E+01 mv 2 37 29 -107 0 + 4 e 365 285 etot -7.2167E+01 mv 2 37 196 -182 0 + 4 e 191 298 etot -5.0722E+01 mv 2 37 114 -187 0 + 4 e 557 269 etot -7.9819E+01 mv 2 37 82 -141 0 + 4 e 214 300 etot -8.3999E+01 mv 2 37 114 -80 0 + 4 e 263 295 etot -7.8782E+01 mv 2 37 168 -82 0 + 4 e 379 273 etot -8.4409E+01 mv 2 37 1 -20 0 + 4 e 264 291 etot -8.2354E+01 mv 2 37 168 -96 0 + 4 e 486 261 etot -8.2167E+01 mv 2 37 131 -162 0 + 4 e 398 289 etot -8.3045E+01 mv 2 37 29 -170 0 + 4 e 468 287 etot -8.3249E+01 mv 2 37 29 -181 0 + 4 e 224 312 etot -6.8470E+01 mv 1 37 148 -122 0 + 4 e 252 306 etot -8.8274E+01 mv 1 37 174 -1 0 + 4 e 514 263 etot -8.2934E+01 mv 2 37 131 -72 0 + 4 e 625 277 etot -6.7775E+01 mv 2 37 8 -45 0 + 4 e 451 278 etot -7.9992E+01 mv 2 37 8 -141 0 + 4 e 320 292 etot -5.9993E+01 mv 2 37 168 -155 0 + 4 e 272 315 etot -8.8887E+01 mv 1 37 148 -183 0 + 4 e 379 302 etot -7.0691E+01 mv 1 37 75 -184 0 + 4 e 287 299 etot -7.8347E+01 mv 2 37 114 -107 0 + 4 e 481 293 etot -8.1903E+01 mv 2 37 168 -22 0 + 4 e 411 301 etot -8.3374E+01 mv 1 37 75 -45 0 c 23 163.0 0.1 + 4 e 243 310 etot -8.9161E+01 mv 1 37 174 -61 0 + 4 e 661 258 etot -8.5128E+01 mv 2 37 127 -175 0 + 4 e 395 308 etot -8.6470E+01 mv 1 37 174 -137 0 + 4 e 427 304 etot -8.3296E+01 mv 1 37 75 -200 0 + 4 e 316 318 etot -8.7825E+01 mv 1 37 135 -136 0 + 4 e 218 325 etot -8.5015E+01 mv 1 37 41 -24 0 + 4 e 193 327 etot -6.7960E+01 mv 1 37 182 -63 0 + 4 e 461 307 etot -8.4918E+01 mv 1 37 174 -175 0 + 4 e 197 323 etot -6.8977E+01 mv 1 37 41 -194 0 + 4 e 461 309 etot -8.6467E+01 mv 1 37 174 -17 0 + 4 e 389 319 etot -8.7825E+01 mv 1 37 135 -13 0 + 4 e 330 313 etot -8.4032E+01 mv 1 37 148 -37 0 + 4 e 441 316 etot -8.3525E+01 mv 1 37 135 -166 0 + 4 e 270 321 etot -7.3637E+01 mv 1 37 41 -188 0 + 4 e 392 320 etot -8.2045E+01 mv 1 37 135 -25 0 + 4 e 309 326 etot -7.8097E+01 mv 1 37 182 -140 0 + 4 e 177 341 etot -8.4686E+01 mv 1 37 83 -42 0 c 83 2.4 0.0 + 4 e 342 329 etot -7.9382E+01 mv 1 37 182 -181 0 + 4 e 225 340 etot -8.5280E+01 mv 1 37 30 -49 0 c 30 3.1 0.0 + 4 e 686 303 etot -8.4861E+01 mv 1 37 75 -14 0 + 4 e 290 336 etot -8.0613E+01 mv 1 37 30 -109 0 + 4 e 341 335 etot -8.5566E+01 mv 1 37 81 -23 0 f 93 290.1 2.5 + 4 e 446 314 etot -8.8887E+01 mv 1 37 148 -111 0 + 4 e 250 344 etot -7.5244E+01 mv 1 37 83 -76 0 + 4 e 213 346 etot -8.2861E+01 mv 1 37 126 -80 0 + 4 e 378 333 etot -7.8673E+01 mv 1 37 81 -166 0 + 4 e 272 331 etot -7.7247E+01 mv 1 37 81 -49 0 + 4 e 621 317 etot -7.9024E+01 mv 1 37 135 -59 0 + 4 e 415 332 etot -7.9661E+01 mv 1 37 81 -51 0 + 4 e 303 342 etot -8.3162E+01 mv 1 37 83 -21 0 + 4 e 531 305 etot -8.0140E+01 mv 1 37 75 -187 0 + 4 e 282 337 etot -7.1416E+01 mv 1 37 30 -134 0 + -1 e 1 368 etot 1.3528E+20 mv 1 37 82 -146 0 + 4 e 251 351 etot -7.1992E+01 mv 1 37 74 -172 0 + -1 e 1 370 etot 1.3528E+20 mv 1 37 82 -6 0 + 4 e 353 343 etot -8.1131E+01 mv 1 37 83 -35 0 + 4 e 288 338 etot -8.0666E+01 mv 1 37 30 -94 0 + -1 e 1 373 etot 1.3528E+20 mv 1 37 1 -29 0 + 4 e 210 354 etot -8.5037E+01 mv 1 37 74 -30 0 + 4 e 637 324 etot -7.9976E+01 mv 1 37 41 -125 0 + 4 e 200 355 etot -8.6289E+01 mv 1 37 74 -163 0 c 149 76.6 0.3 + 4 e 165 360 etot -8.4974E+01 mv 1 37 127 -52 0 + 4 e 341 347 etot -7.8636E+01 mv 1 37 126 -186 0 + 4 e 434 328 etot -7.5729E+01 mv 1 37 182 -18 0 + 4 e 142 365 etot -8.4434E+01 mv 1 37 131 -149 0 c 131 1.4 0.0 + 4 e 144 366 etot -8.5972E+01 mv 1 37 82 -171 0 c 82 0.7 0.0 + 4 e 476 322 etot -7.8160E+01 mv 1 37 41 -99 0 + 4 e 221 358 etot -8.0378E+01 mv 1 37 127 -6 0 + 4 e 314 353 etot -8.6288E+01 mv 1 37 74 -13 0 + 4 e 228 364 etot -6.8871E+01 mv 1 37 131 -188 0 + 4 e 428 349 etot -7.8975E+01 mv 1 37 126 -85 0 + 4 e 320 345 etot -8.4685E+01 mv 1 37 83 -16 0 + 4 e 332 356 etot -7.3461E+01 mv 1 37 127 -15 0 + 4 e 290 350 etot -8.4601E+01 mv 1 37 126 -184 0 + 4 e 485 330 etot -7.5993E+01 mv 1 37 182 -164 0 + 4 e 205 371 etot -8.4410E+01 mv 1 37 1 -49 0 c 1 1.3 0.0 + 4 e 239 372 etot -7.2848E+01 mv 1 37 1 -196 0 + 4 e 656 339 etot -7.6122E+01 mv 1 37 30 -55 0 + 4 e 518 352 etot -7.5014E+01 mv 1 37 74 -15 0 + 4 e 228 377 etot -8.2429E+01 mv 1 37 8 -171 0 + 4 e 273 375 etot -8.3135E+01 mv 1 37 1 -95 0 + 4 e 175 380 etot -8.5054E+01 mv 1 37 8 -12 0 c 8 95.5 0.7 + 4 e 464 362 etot -8.1632E+01 mv 1 37 131 -31 0 + 4 e 295 381 etot -8.2999E+01 mv 1 37 196 -48 0 + -1 e 1 400 etot 1.3528E+20 mv 1 37 114 -188 0 + 4 e 348 376 etot -8.3227E+01 mv 1 37 8 -124 0 + 4 e 333 378 etot -8.0519E+01 mv 1 37 8 -43 0 + 4 e 544 357 etot -8.0361E+01 mv 1 37 127 -163 0 + 4 e 220 383 etot -8.4340E+01 mv 1 37 196 -99 0 + 4 e 264 387 etot -7.6724E+01 mv 1 37 29 -136 0 + 4 e 210 392 etot -6.2585E+01 mv 1 37 168 -148 0 + 4 e 485 361 etot -8.4433E+01 mv 1 37 131 -55 0 + 4 e 370 359 etot -8.3104E+01 mv 1 37 127 -53 0 + 4 e 78 402 etot -8.9161E+01 mv 0 37 174 0 0 c 174 0.8 0.0 + 4 e 638 334 etot -7.7475E+01 mv 1 37 81 -82 0 + 4 e 309 389 etot -7.7446E+01 mv 1 37 29 -47 0 + 4 e 396 382 etot -7.4302E+01 mv 1 37 196 -94 0 + 4 e 103 403 etot -8.8888E+01 mv 0 37 148 0 0 c 148 1.2 0.0 + 4 e 89 406 etot -8.5017E+01 mv 0 37 182 0 0 + 4 e 391 363 etot -8.2618E+01 mv 1 37 131 -102 0 + 4 e 441 379 etot -8.1793E+01 mv 1 37 8 -97 0 + 4 e 534 348 etot -8.3947E+01 mv 1 37 126 -200 0 + 4 e 235 397 etot -6.0791E+01 mv 1 37 114 -100 0 + 4 e 261 395 etot -6.8016E+01 mv 1 37 168 -174 0 +## N0 total= 13 close= 8 far= 0 %acc 61.5 +## N1 total= 107 close= 10 far= 1 %acc 10.3 +## N2 total= 100 close= 4 far= 2 %acc 6.0 +## N3 total= 0 close= 0 far= 0 %acc 0.0 +## N4 total= 0 close= 0 far= 0 %acc 0.0 +## N5 total= 0 close= 0 far= 0 %acc 0.0 +## N6 total= 200 close= 32 far= 0 %acc 16.0 +## N7 total= 0 close= 0 far= 0 %acc 0.0 +## N8 total= 0 close= 0 far= 0 %acc 0.0 +## N9 total= 0 close= 0 far= 0 %acc 0.0 +##N10 total= 0 close= 0 far= 0 %acc 0.0 +##N11 total= 0 close= 0 far= 0 %acc 0.0 +##N12 total= 0 close= 0 far= 0 %acc 0.0 +##N13 total= 0 close= 0 far= 0 %acc 0.0 +##N14 total= 0 close= 0 far= 0 %acc 0.0 +##N15 total= 0 close= 0 far= 0 %acc 0.0 +##N16 total= 0 close= 0 far= 0 %acc 0.0 +##N17 total= 0 close= 0 far= 0 %acc 0.0 +##N18 total= 0 close= 0 far= 0 %acc 0.0 + Time for refresh 38 1.07 + make_var : nseed= 20 ntry= 420 + Time for make trial 39 0.13 +Nonsetup time 84.98 sec, Eval/s = 56270.89 +Time for iter 39 2.69 sec, Eval/s = 43338.05 + UPDATING 420 + 4 e 163 404 etot -8.7828E+01 mv 0 37 135 0 0 + 4 e 454 385 etot -8.5371E+01 mv 1 37 196 -2 0 + 4 e 425 401 etot -8.3374E+01 mv 0 37 75 0 0 c 23 1.9 0.0 + 4 e 385 396 etot -8.3808E+01 mv 1 37 114 -5 0 + 4 e 480 394 etot -7.6043E+01 mv 1 37 168 -106 0 + 4 e 143 415 etot -8.4410E+01 mv 0 37 1 0 0 c 1 0.7 0.0 + 4 e 159 407 etot -8.6685E+01 mv 0 37 81 0 0 + 4 e 178 419 etot -8.3822E+01 mv 0 37 168 0 0 c 168 14.3 0.0 + 4 e 89 417 etot -8.4341E+01 mv 0 37 196 0 0 c 196 0.8 0.0 + 4 e 243 408 etot -8.5280E+01 mv 0 37 30 0 0 c 30 0.8 0.0 + 4 e 70 413 etot -8.4434E+01 mv 0 37 131 0 0 c 131 0.7 0.0 + 4 e 113 410 etot -8.4683E+01 mv 0 37 126 0 0 + 4 e 211 420 etot -8.4000E+01 mv 0 37 114 0 0 + 4 e 190 412 etot -8.4975E+01 mv 0 37 127 0 0 + 4 e 123 414 etot -8.5973E+01 mv 0 37 82 0 0 c 82 0.5 0.0 + 4 e 470 399 etot -7.9206E+01 mv 1 37 114 -92 0 + 4 e 407 386 etot -8.4383E+01 mv 1 37 29 -18 0 + 4 e 441 384 etot -7.8048E+01 mv 1 37 196 -22 0 + 4 e 454 393 etot -7.6583E+01 mv 1 37 168 -77 0 + 4 e 370 374 etot -7.7011E+01 mv 1 37 1 -172 0 + 4 e 58 416 etot -8.4401E+01 mv 0 37 8 0 0 + -1 e 1 14 etot 1.3528E+20 mv 6 38 13 193 0 + 4 e 125 409 etot -8.4686E+01 mv 0 37 83 0 0 c 83 1.2 0.0 + 4 e 125 411 etot -8.6289E+01 mv 0 37 74 0 0 c 149 1.7 0.0 + 4 e 410 367 etot -6.8412E+01 mv 1 37 82 -159 0 + -1 e 1 17 etot 1.3528E+20 mv 6 38 13 42 0 + 4 e 121 405 etot -8.5842E+01 mv 0 37 41 0 0 c 41 2.7 0.0 + 4 e 736 390 etot -8.8718E+01 mv 1 37 29 -94 0 + 4 e 272 391 etot -8.3822E+01 mv 1 37 168 -164 0 + 4 e 92 418 etot -8.4320E+01 mv 0 37 29 0 0 + 4 e 534 388 etot -7.7385E+01 mv 1 37 29 -178 0 + 4 e 265 398 etot -7.9049E+01 mv 1 37 114 -24 0 + 4 e 370 369 etot -8.4157E+01 mv 1 37 82 -71 0 + -1 e 1 24 etot 1.3528E+20 mv 6 38 46 119 0 + -1 e 1 31 etot 1.3528E+20 mv 6 38 9 183 0 + 4 e 161 9 etot -7.3498E+01 mv 6 38 135 71 0 + 4 e 162 2 etot -6.8100E+01 mv 6 38 135 97 0 + 4 e 170 3 etot -8.7920E+01 mv 6 38 135 106 0 c 135 2.3 0.0 + 4 e 224 7 etot -7.2126E+01 mv 6 38 135 117 0 + 4 e 223 6 etot -9.0082E+01 mv 6 38 135 170 0 + 4 e 149 37 etot -8.6341E+01 mv 6 38 9 66 0 + 4 e 314 1 etot -8.0481E+01 mv 6 38 135 87 0 + 4 e 287 25 etot -8.8988E+01 mv 6 38 46 116 0 + 4 e 288 4 etot -8.5226E+01 mv 6 38 135 78 0 + 4 e 253 5 etot -9.0081E+01 mv 6 38 135 89 0 + 4 e 292 22 etot -8.7934E+01 mv 6 38 46 129 0 + 4 e 305 13 etot -8.6019E+01 mv 6 38 13 111 0 + 4 e 208 38 etot -8.7869E+01 mv 6 38 9 64 0 c 9 2.2 0.0 + 4 e 312 19 etot -8.7967E+01 mv 6 38 13 15 0 + 4 e 331 8 etot -7.9437E+01 mv 6 38 135 50 0 + 4 e 332 10 etot -8.7469E+01 mv 6 38 135 59 0 + 4 e 344 12 etot -8.8355E+01 mv 6 38 13 139 0 c 13 61.7 0.4 + 4 e 346 27 etot -8.2598E+01 mv 6 38 46 64 0 + 4 e 364 28 etot -8.2744E+01 mv 6 38 46 113 0 + 4 e 372 18 etot -8.5189E+01 mv 6 38 13 146 0 + 4 e 394 26 etot -8.5571E+01 mv 6 38 46 76 0 + 4 e 233 36 etot -8.3049E+01 mv 6 38 9 90 0 + -1 e 1 57 etot 1.3528E+20 mv 6 38 57 146 0 + 4 e 410 11 etot -7.9626E+01 mv 6 38 13 21 0 + 4 e 259 41 etot -8.2837E+01 mv 6 38 126 75 0 + -1 e 1 60 etot 1.3528E+20 mv 6 38 57 178 0 + 4 e 209 40 etot -8.5772E+01 mv 6 38 9 175 0 c 163 149.2 0.6 + 4 e 233 23 etot -8.5508E+01 mv 6 38 46 74 0 + -1 e 1 63 etot 1.3528E+20 mv 6 38 81 32 0 + 4 e 245 33 etot -8.5852E+01 mv 6 38 9 41 0 c 41 56.8 0.0 + 4 e 273 48 etot -8.2234E+01 mv 6 38 126 26 0 + 4 e 197 44 etot -8.6328E+01 mv 6 38 126 114 0 c 126 1.5 0.0 + 4 e 513 29 etot -8.4893E+01 mv 6 38 46 5 0 + 4 e 251 35 etot -8.7869E+01 mv 6 38 9 87 0 + -1 e 1 68 etot 1.3528E+20 mv 6 38 81 12 0 + -1 e 1 70 etot 1.3528E+20 mv 6 38 81 190 0 + -1 e 1 69 etot 1.3528E+20 mv 6 38 81 146 0 + -1 e 1 71 etot 1.3528E+20 mv 6 38 149 26 0 + -1 e 1 72 etot 1.3528E+20 mv 6 38 149 69 0 + 4 e 218 55 etot -8.5025E+01 mv 6 38 57 62 0 + 4 e 613 16 etot -8.8678E+01 mv 6 38 13 168 0 c 13 65.0 0.3 + 4 e 261 20 etot -8.2421E+01 mv 6 38 13 163 0 + 4 e 543 15 etot -8.4593E+01 mv 6 38 13 21 0 + 4 e 232 45 etot -8.6328E+01 mv 6 38 126 79 0 + 4 e 399 42 etot -9.0733E+01 mv 6 38 126 148 0 + 4 e 195 54 etot -8.5922E+01 mv 6 38 57 118 0 c 57 1.7 0.0 + 4 e 220 51 etot -7.7776E+01 mv 6 38 57 79 0 + -1 e 1 82 etot 1.3528E+20 mv 6 38 127 199 0 + 4 e 351 49 etot -8.1555E+01 mv 6 38 126 172 0 + -1 e 1 84 etot 6.1576E+25 mv 6 38 127 51 0 + 4 e 287 34 etot -8.7868E+01 mv 6 38 9 182 0 + 4 e 299 30 etot -8.4733E+01 mv 6 38 46 21 0 c 21 159.5 0.0 + 4 e 345 47 etot -8.0169E+01 mv 6 38 126 162 0 + 4 e 336 56 etot -8.6018E+01 mv 6 38 57 81 0 + 4 e 73 83 etot -8.5714E+01 mv 6 38 127 181 0 c 181 0.6 0.0 + 4 e 382 46 etot -8.4452E+01 mv 6 38 126 179 0 + 4 e 277 61 etot -8.7166E+01 mv 6 38 81 160 0 + 4 e 261 59 etot -7.0823E+01 mv 6 38 57 173 0 + 4 e 277 53 etot -7.9612E+01 mv 6 38 57 190 0 + 4 e 207 76 etot -7.6971E+01 mv 6 38 149 144 0 + 4 e 439 52 etot -8.3501E+01 mv 6 38 57 1 0 + 4 e 300 66 etot -7.7473E+01 mv 6 38 81 150 0 + 4 e 203 67 etot -8.3181E+01 mv 6 38 81 85 0 + 4 e 491 39 etot -8.2493E+01 mv 6 38 9 106 0 + 4 e 372 21 etot -9.0781E+01 mv 6 38 46 102 0 + 4 e 372 32 etot -7.9919E+01 mv 6 38 9 167 0 + -1 e 1 101 etot 1.3528E+20 mv 6 38 8 72 0 + -1 e 1 102 etot 1.3528E+20 mv 6 38 8 164 0 + 4 e 210 88 etot -8.6379E+01 mv 6 38 127 61 0 c 127 214.4 0.5 + 4 e 479 43 etot -7.3884E+01 mv 6 38 126 161 0 + 4 e 251 73 etot -8.4728E+01 mv 6 38 149 59 0 f 158 296.3 1.7 + 4 e 358 75 etot -8.6438E+01 mv 6 38 149 45 0 + 4 e 290 85 etot -8.6681E+01 mv 6 38 127 65 0 + 4 e 542 50 etot -8.6700E+01 mv 6 38 126 133 0 + 4 e 338 80 etot -8.4976E+01 mv 6 38 149 12 0 + 4 e 392 78 etot -8.5630E+01 mv 6 38 149 87 0 + -1 e 1 111 etot 5.7133E+23 mv 6 38 137 186 0 + 4 e 197 95 etot -7.8046E+01 mv 6 38 90 158 0 + 4 e 519 58 etot -8.1688E+01 mv 6 38 57 54 0 + 4 e 292 90 etot -8.7565E+01 mv 6 38 127 188 0 + 4 e 323 79 etot -8.6633E+01 mv 6 38 149 88 0 c 149 83.9 0.3 + 4 e 276 93 etot -8.6154E+01 mv 6 38 90 162 0 c 90 2.3 0.0 + 4 e 426 62 etot -8.4205E+01 mv 6 38 81 74 0 + 4 e 64 114 etot -8.5316E+01 mv 6 38 137 70 0 c 70 0.2 0.0 + -1 e 1 119 etot 1.3528E+20 mv 6 38 137 191 0 + 4 e 336 91 etot -8.6207E+01 mv 6 38 90 97 0 c 90 108.6 0.1 + -1 e 1 121 etot 1.3528E+20 mv 6 38 114 96 0 + 4 e 350 89 etot -8.5908E+01 mv 6 38 127 15 0 + 4 e 204 65 etot -8.6468E+01 mv 6 38 81 12 0 + 4 e 307 96 etot -8.5912E+01 mv 6 38 90 176 0 + 4 e 198 109 etot -8.5054E+01 mv 6 38 8 137 0 + -1 e 1 126 etot 2.0020E+26 mv 6 38 114 153 0 + 4 e 228 108 etot -8.3172E+01 mv 6 38 8 183 0 + 4 e 391 81 etot -7.3369E+01 mv 6 38 127 72 0 + 4 e 292 99 etot -8.6699E+01 mv 6 38 90 123 0 + 4 e 313 94 etot -8.0174E+01 mv 6 38 90 58 0 + 4 e 172 122 etot -7.4815E+01 mv 6 38 114 193 0 + 4 e 206 106 etot -7.9200E+01 mv 6 38 8 143 0 + 4 e 299 107 etot -8.5054E+01 mv 6 38 8 194 0 + 4 e 374 98 etot -7.5499E+01 mv 6 38 90 41 0 + 4 e 515 92 etot -7.1959E+01 mv 6 38 90 79 0 + 4 e 241 116 etot -8.7959E+01 mv 6 38 137 19 0 + 4 e 45 134 etot -8.6690E+01 mv 6 38 200 62 0 c 62 0.1 0.0 + 4 e 245 118 etot -6.8880E+01 mv 6 38 137 7 0 + 4 e 268 64 etot -8.6676E+01 mv 6 38 81 71 0 + 4 e 470 97 etot -8.3447E+01 mv 6 38 90 49 0 + -1 e 1 141 etot 1.3528E+20 mv 6 38 76 38 0 + 4 e 176 125 etot -7.2764E+01 mv 6 38 114 24 0 + 4 e 252 74 etot -8.6633E+01 mv 6 38 149 137 0 c 149 2.8 0.0 + -1 e 1 144 etot 2.2350E+21 mv 6 38 76 176 0 + -1 e 1 145 etot 1.3528E+20 mv 6 38 76 150 0 + 4 e 275 105 etot -7.7273E+01 mv 6 38 8 59 0 + 4 e 300 117 etot -8.7958E+01 mv 6 38 137 108 0 + 4 e 324 115 etot -7.7223E+01 mv 6 38 137 156 0 + 4 e 183 130 etot -8.2715E+01 mv 6 38 114 109 0 + 4 e 469 104 etot -8.3480E+01 mv 6 38 8 52 0 + 4 e 469 110 etot -8.0790E+01 mv 6 38 8 152 0 + 4 e 281 128 etot -8.6997E+01 mv 6 38 114 50 0 + 4 e 235 136 etot -7.9275E+01 mv 6 38 200 83 0 + 4 e 446 120 etot -8.6705E+01 mv 6 38 137 26 0 + 4 e 258 135 etot -8.4387E+01 mv 6 38 200 136 0 + 4 e 449 123 etot -7.4624E+01 mv 6 38 114 18 0 + 4 e 324 77 etot -7.4826E+01 mv 6 38 149 2 0 + 4 e 233 143 etot -8.5211E+01 mv 6 38 76 40 0 + 4 e 263 142 etot -8.3822E+01 mv 6 38 76 168 0 + 4 e 646 112 etot -8.3781E+01 mv 6 38 137 102 0 + -1 e 1 161 etot 1.3528E+20 mv 6 38 163 39 0 + 4 e 272 149 etot -8.0821E+01 mv 6 38 76 149 0 + 4 e 209 153 etot -7.7898E+01 mv 6 38 96 200 0 + 4 e 391 138 etot -8.5993E+01 mv 6 38 200 51 0 + 4 e 287 151 etot -8.3088E+01 mv 6 38 96 52 0 + 4 e 197 154 etot -8.3776E+01 mv 6 38 96 150 0 c 96 6.3 0.0 + 4 e 404 139 etot -8.4361E+01 mv 6 38 200 159 0 + 4 e 431 137 etot -8.0108E+01 mv 6 38 200 93 0 + 4 e 542 127 etot -8.5301E+01 mv 6 38 114 144 0 + -1 e 1 170 etot 1.3528E+20 mv 6 38 163 24 0 + 4 e 275 156 etot -8.2735E+01 mv 6 38 96 142 0 + 4 e 217 160 etot -8.3776E+01 mv 6 38 96 62 0 + 4 e 89 168 etot -8.8083E+01 mv 6 38 163 61 0 c 61 0.9 0.0 + 4 e 246 159 etot -8.4250E+01 mv 6 38 96 15 0 c 96 47.7 0.5 + 4 e 575 132 etot -8.3873E+01 mv 6 38 200 76 0 + 4 e 864 113 etot -8.2487E+01 mv 6 38 137 168 0 + 4 e 434 131 etot -8.4245E+01 mv 6 38 200 86 0 + 4 e 437 86 etot -7.3801E+01 mv 6 38 127 33 0 + 4 e 230 163 etot -7.5060E+01 mv 6 38 163 25 0 + -1 e 1 180 etot 1.3528E+20 mv 6 38 75 96 0 + 4 e 223 165 etot -7.8091E+01 mv 6 38 163 44 0 + 4 e 375 157 etot -8.3775E+01 mv 6 38 96 165 0 + 4 e 218 166 etot -8.5818E+01 mv 6 38 163 79 0 + 4 e 470 152 etot -7.9168E+01 mv 6 38 96 97 0 + 4 e 407 147 etot -7.9289E+01 mv 6 38 76 119 0 + 4 e 261 164 etot -7.7681E+01 mv 6 38 163 117 0 + 4 e 572 150 etot -7.8900E+01 mv 6 38 76 92 0 + 4 e 320 162 etot -9.0746E+01 mv 6 38 163 22 0 + 4 e 131 177 etot -8.6008E+01 mv 6 38 75 105 0 c 10 31.5 0.1 + 4 e 262 167 etot -8.8110E+01 mv 6 38 163 137 0 + -1 e 1 190 etot 1.3528E+20 mv 6 38 74 186 0 + 4 e 484 155 etot -7.7611E+01 mv 6 38 96 179 0 + -1 e 1 193 etot 1.3528E+20 mv 6 38 93 124 0 + 4 e 266 171 etot -8.3689E+01 mv 6 38 75 176 0 c 75 2.6 0.0 + 4 e 209 175 etot -8.3562E+01 mv 6 38 75 107 0 + -1 e 1 196 etot 1.3528E+20 mv 6 38 93 157 0 + 4 e 694 148 etot -8.1144E+01 mv 6 38 76 62 0 + 4 e 244 146 etot -8.5572E+01 mv 6 38 76 138 0 c 76 4.7 0.0 + 4 e 269 173 etot -7.1064E+01 mv 6 38 75 189 0 + -1 e 1 199 etot 1.3528E+20 mv 6 38 93 18 0 + 4 e 126 187 etot -6.6169E+01 mv 6 38 74 90 0 + -1 e 1 202 etot 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90 -81 0 + 4 e 266 351 etot -8.5054E+01 mv 1 38 8 -177 0 + 4 e 362 336 etot -8.0824E+01 mv 1 38 149 -173 0 + 4 e 492 344 etot -8.3234E+01 mv 1 38 127 -168 0 + 4 e 226 371 etot -8.5572E+01 mv 1 38 76 -22 0 c 76 1.7 0.0 + 4 e 259 369 etot -7.2789E+01 mv 1 38 200 -88 0 + -1 e 1 389 etot 1.3528E+20 mv 1 38 75 -9 0 + 4 e 291 363 etot -7.4463E+01 mv 1 38 114 -97 0 + 4 e 367 354 etot -8.4690E+01 mv 1 38 8 -148 0 + 4 e 326 364 etot -8.4110E+01 mv 1 38 114 -166 0 + 4 e 167 380 etot -8.3776E+01 mv 1 38 96 -115 0 + -1 e 1 394 etot 1.3528E+20 mv 1 38 74 -60 0 + 4 e 178 381 etot -8.5191E+01 mv 1 38 163 -75 0 + 4 e 262 375 etot -7.9881E+01 mv 1 38 76 -74 0 + 4 e 305 356 etot -8.6003E+01 mv 1 38 137 -77 0 + -1 e 1 398 etot 1.3528E+20 mv 1 38 93 -14 0 + 4 e 612 322 etot -8.1656E+01 mv 1 38 126 -101 0 + 4 e 231 379 etot -8.3543E+01 mv 1 38 96 -136 0 + 4 e 178 376 etot -8.3776E+01 mv 1 38 96 -200 0 + 4 e 392 368 etot -8.3819E+01 mv 1 38 200 -116 0 + 4 e 401 370 etot -8.4274E+01 mv 1 38 200 -44 0 + 4 e 483 357 etot -8.5854E+01 mv 1 38 137 -4 0 + 4 e 167 383 etot -8.5107E+01 mv 1 38 163 -80 0 + 4 e 225 384 etot -8.5190E+01 mv 1 38 163 -145 0 + 4 e 90 401 etot -8.7920E+01 mv 0 38 135 0 0 c 135 0.7 0.0 + 4 e 82 402 etot -8.7949E+01 mv 0 38 13 0 0 + 4 e 546 362 etot -8.4108E+01 mv 1 38 114 -162 0 + 4 e 378 359 etot -8.4739E+01 mv 1 38 137 -67 0 + 4 e 252 388 etot -8.2573E+01 mv 1 38 75 -83 0 + 4 e 389 378 etot -8.2393E+01 mv 1 38 96 -143 0 + 4 e 182 396 etot -8.5566E+01 mv 1 38 93 -83 0 c 93 1.5 0.0 + 4 e 258 390 etot -8.3689E+01 mv 1 38 75 -182 0 + 4 e 129 403 etot -8.8989E+01 mv 0 38 46 0 0 c 46 1.2 0.0 + 4 e 107 405 etot -8.6328E+01 mv 0 38 126 0 0 c 126 0.4 0.0 + 4 e 254 392 etot -8.5150E+01 mv 1 38 74 -137 0 + 4 e 313 374 etot -8.4178E+01 mv 1 38 76 -199 0 + 4 e 134 404 etot -8.7869E+01 mv 0 38 9 0 0 c 9 1.4 0.0 +## N0 total= 22 close= 14 far= 0 %acc 63.6 +## N1 total= 98 close= 8 far= 0 %acc 8.2 +## N2 total= 100 close= 5 far= 1 %acc 6.0 +## N3 total= 0 close= 0 far= 0 %acc 0.0 +## N4 total= 0 close= 0 far= 0 %acc 0.0 +## N5 total= 0 close= 0 far= 0 %acc 0.0 +## N6 total= 200 close= 27 far= 1 %acc 14.0 +## N7 total= 0 close= 0 far= 0 %acc 0.0 +## N8 total= 0 close= 0 far= 0 %acc 0.0 +## N9 total= 0 close= 0 far= 0 %acc 0.0 +##N10 total= 0 close= 0 far= 0 %acc 0.0 +##N11 total= 0 close= 0 far= 0 %acc 0.0 +##N12 total= 0 close= 0 far= 0 %acc 0.0 +##N13 total= 0 close= 0 far= 0 %acc 0.0 +##N14 total= 0 close= 0 far= 0 %acc 0.0 +##N15 total= 0 close= 0 far= 0 %acc 0.0 +##N16 total= 0 close= 0 far= 0 %acc 0.0 +##N17 total= 0 close= 0 far= 0 %acc 0.0 +##N18 total= 0 close= 0 far= 0 %acc 0.0 + Time for refresh 39 0.27 + make_var : nseed= 20 ntry= 420 + Time for make trial 40 0.05 +Nonsetup time 86.75 sec, Eval/s = 56496.84 +Time for iter 40 1.76 sec, Eval/s = 67396.68 + UPDATING 420 + 4 e 117 414 etot -8.3820E+01 mv 0 38 200 0 0 c 200 1.3 0.0 + 4 e 112 420 etot -8.5566E+01 mv 0 38 93 0 0 c 93 0.8 0.0 + 4 e 455 397 etot -7.9113E+01 mv 1 38 93 -112 0 + 4 e 485 387 etot 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e 134 402 etot -8.7397E+01 mv 0 39 81 0 0 c 81 0.5 0.0 + 4 e 133 401 etot -8.3375E+01 mv 0 39 23 0 0 + 4 e 374 364 etot -8.2680E+01 mv 1 39 88 -149 0 + 4 e 97 405 etot -8.5772E+01 mv 0 39 163 0 0 + 4 e 466 373 etot -7.7882E+01 mv 1 39 13 -118 0 + 4 e 78 406 etot -8.5024E+01 mv 0 39 44 0 0 c 44 0.6 0.0 + 4 e 179 390 etot -8.5536E+01 mv 1 39 108 -168 0 + 4 e 223 395 etot -7.0537E+01 mv 1 39 29 -189 0 + 4 e 135 403 etot -8.6634E+01 mv 0 39 149 0 0 c 149 1.4 0.0 + 4 e 242 391 etot -8.4396E+01 mv 1 39 29 -116 0 c 29 3.0 0.0 + 4 e 89 407 etot -8.4944E+01 mv 0 39 96 0 0 c 96 0.6 0.0 +## N0 total= 22 close= 12 far= 0 %acc 54.5 +## N1 total= 98 close= 10 far= 1 %acc 11.2 +## N2 total= 100 close= 4 far= 1 %acc 5.0 +## N3 total= 0 close= 0 far= 0 %acc 0.0 +## N4 total= 0 close= 0 far= 0 %acc 0.0 +## N5 total= 0 close= 0 far= 0 %acc 0.0 +## N6 total= 200 close= 23 far= 1 %acc 12.0 +## N7 total= 0 close= 0 far= 0 %acc 0.0 +## N8 total= 0 close= 0 far= 0 %acc 0.0 +## N9 total= 0 close= 0 far= 0 %acc 0.0 +##N10 total= 0 close= 0 far= 0 %acc 0.0 +##N11 total= 0 close= 0 far= 0 %acc 0.0 +##N12 total= 0 close= 0 far= 0 %acc 0.0 +##N13 total= 0 close= 0 far= 0 %acc 0.0 +##N14 total= 0 close= 0 far= 0 %acc 0.0 +##N15 total= 0 close= 0 far= 0 %acc 0.0 +##N16 total= 0 close= 0 far= 0 %acc 0.0 +##N17 total= 0 close= 0 far= 0 %acc 0.0 +##N18 total= 0 close= 0 far= 0 %acc 0.0 + Time for refresh 40 0.26 + make_var : nseed= 20 ntry= 420 + Time for make trial 41 0.05 +Nonsetup time 88.42 sec, Eval/s = 56700.81 +Time for iter 41 1.68 sec, Eval/s = 67259.38 + UPDATING 420 + 4 e 138 418 etot -8.5536E+01 mv 0 39 108 0 0 + 4 e 431 397 etot -6.9750E+01 mv 1 39 59 -154 0 + 4 e 83 414 etot -9.0025E+01 mv 0 39 6 0 0 + 4 e 91 410 etot -8.7861E+01 mv 0 39 124 0 0 c 124 0.4 0.0 + 4 e 429 400 etot -7.9743E+01 mv 1 39 59 -78 0 + 4 e 361 383 etot -6.7310E+01 mv 1 39 199 -102 0 + 4 e 429 399 etot -7.7598E+01 mv 1 39 59 -146 0 + 4 e 69 413 etot -8.4482E+01 mv 0 39 88 0 0 c 88 0.7 0.0 + 4 e 169 417 etot 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225 33 etot -8.8141E+01 mv 6 40 76 66 0 + -1 e 1 49 etot 1.3528E+20 mv 6 40 85 132 0 + 4 e 224 11 etot -7.5660E+01 mv 6 40 10 83 0 + 4 e 217 39 etot -8.4603E+01 mv 6 40 76 134 0 + 4 e 235 3 etot -9.0235E+01 mv 6 40 6 144 0 + 4 e 244 32 etot -7.5930E+01 mv 6 40 76 114 0 + 4 e 220 20 etot -7.8128E+01 mv 6 40 10 154 0 + 4 e 255 31 etot -8.6249E+01 mv 6 40 76 3 0 + -1 e 1 56 etot 1.3528E+20 mv 6 40 90 103 0 + 4 e 264 18 etot -7.6700E+01 mv 6 40 10 58 0 + 4 e 281 40 etot -7.6506E+01 mv 6 40 76 52 0 + 4 e 303 2 etot -8.5252E+01 mv 6 40 6 135 0 + 4 e 290 14 etot -8.6943E+01 mv 6 40 10 83 0 + 4 e 317 13 etot -8.1250E+01 mv 6 40 10 180 0 + 4 e 310 6 etot -8.9192E+01 mv 6 40 6 109 0 + 4 e 354 26 etot -6.9251E+01 mv 6 40 23 97 0 + 4 e 71 59 etot -8.5426E+01 mv 6 40 90 48 0 c 48 0.2 0.0 + 4 e 347 30 etot -8.5963E+01 mv 6 40 23 148 0 + 4 e 358 25 etot -7.7581E+01 mv 6 40 23 153 0 + 4 e 360 5 etot -9.2232E+01 mv 6 40 6 15 0 + -1 e 1 68 etot 4.5838E+22 mv 6 40 92 49 0 + 4 e 330 43 etot -8.0964E+01 mv 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0.6 + -1 e 1 111 etot 1.3528E+20 mv 6 40 145 142 0 + 4 e 253 74 etot -8.0836E+01 mv 6 40 106 146 0 + 4 e 272 87 etot -8.6068E+01 mv 6 40 108 34 0 + -1 e 1 114 etot 1.3528E+20 mv 6 40 145 99 0 + 4 e 240 92 etot -8.6018E+01 mv 6 40 110 137 0 + -1 e 1 116 etot 1.3528E+20 mv 6 40 145 102 0 + 4 e 239 85 etot -8.5876E+01 mv 6 40 108 135 0 + -1 e 1 118 etot 1.3528E+20 mv 6 40 145 163 0 + 4 e 375 64 etot -7.9539E+01 mv 6 40 92 153 0 + 4 e 325 84 etot -8.7396E+01 mv 6 40 108 63 0 + 4 e 390 67 etot -8.9325E+01 mv 6 40 92 88 0 + 4 e 565 51 etot -8.5464E+01 mv 6 40 90 173 0 + -1 e 1 123 etot 1.3528E+20 mv 6 40 158 12 0 + 4 e 217 98 etot -6.5397E+01 mv 6 40 110 155 0 + -1 e 1 125 etot 1.3528E+20 mv 6 40 158 38 0 + -1 e 1 126 etot 1.3528E+20 mv 6 40 158 37 0 + 4 e 212 103 etot -7.4192E+01 mv 6 40 120 91 0 + 4 e 493 71 etot -8.0556E+01 mv 6 40 106 11 0 + 4 e 264 96 etot -8.2808E+01 mv 6 40 110 105 0 + 4 e 431 65 etot -8.3415E+01 mv 6 40 92 29 0 + 4 e 251 105 etot -8.4676E+01 mv 6 40 120 100 0 + 4 e 507 86 etot -8.9779E+01 mv 6 40 108 89 0 + 4 e 209 113 etot -8.4723E+01 mv 6 40 145 71 0 f 186 384.3 1.5 + 4 e 427 91 etot -9.0527E+01 mv 6 40 110 153 0 + -1 e 1 135 etot 1.3528E+20 mv 6 40 163 107 0 + -1 e 1 136 etot 1.3528E+20 mv 6 40 163 110 0 + 4 e 330 102 etot -8.4934E+01 mv 6 40 120 46 0 c 120 138.3 0.2 + 4 e 402 80 etot -8.6933E+01 mv 6 40 106 71 0 + 4 e 401 81 etot -8.4719E+01 mv 6 40 108 39 0 + 4 e 326 104 etot -8.4831E+01 mv 6 40 120 20 0 + 4 e 311 109 etot -8.4948E+01 mv 6 40 120 89 0 + 4 e 221 117 etot -8.4634E+01 mv 6 40 145 5 0 + 4 e 137 129 etot -7.2553E+01 mv 6 40 158 55 0 + 4 e 201 110 etot -6.8622E+01 mv 6 40 120 109 0 + 4 e 251 99 etot -8.3764E+01 mv 6 40 110 191 0 + 4 e 264 115 etot -8.1811E+01 mv 6 40 145 2 0 + 4 e 346 90 etot -8.6067E+01 mv 6 40 108 13 0 + 4 e 209 121 etot -8.1257E+01 mv 6 40 158 183 0 + 4 e 351 112 etot -8.2594E+01 mv 6 40 145 26 0 + -1 e 1 150 etot 1.3528E+20 mv 6 40 169 148 0 + 4 e 180 130 etot -8.8740E+01 mv 6 40 158 29 0 + 4 e 244 127 etot 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6 40 158 96 0 + -1 e 1 173 etot 1.3528E+20 mv 6 40 129 73 0 + 4 e 329 134 etot -8.7283E+01 mv 6 40 163 56 0 + 4 e 316 137 etot -8.6791E+01 mv 6 40 163 6 0 c 163 6.5 0.0 + 4 e 224 156 etot -8.5526E+01 mv 6 40 175 41 0 c 175 2.4 0.0 + -1 e 1 177 etot 1.3528E+20 mv 6 40 129 43 0 + 4 e 349 141 etot -7.9586E+01 mv 6 40 169 174 0 + 4 e 213 145 etot -8.1469E+01 mv 6 40 169 104 0 + 4 e 372 144 etot -8.3519E+01 mv 6 40 169 44 0 + 4 e 260 161 etot -8.2974E+01 mv 6 40 186 65 0 + -1 e 1 181 etot 1.3528E+20 mv 6 40 33 85 0 + -1 e 1 182 etot 1.3528E+20 mv 6 40 33 100 0 + 4 e 112 174 etot -8.8203E+01 mv 6 40 129 198 0 + 4 e 391 149 etot -7.9343E+01 mv 6 40 169 27 0 + 4 e 335 153 etot -7.1314E+01 mv 6 40 175 119 0 + 4 e 405 147 etot -7.9144E+01 mv 6 40 169 164 0 + 4 e 366 152 etot -8.5525E+01 mv 6 40 175 66 0 + 4 e 208 169 etot -7.4534E+01 mv 6 40 186 129 0 + 4 e 231 168 etot -8.3245E+01 mv 6 40 186 187 0 + 4 e 157 176 etot -6.7922E+01 mv 6 40 129 75 0 + 4 e 374 157 etot -8.5523E+01 mv 6 40 175 65 0 + 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40 33 -178 0 + -1 e 1 313 etot 1.3528E+20 mv 1 40 23 -73 0 + 4 e 248 291 etot -9.0081E+01 mv 2 40 33 -50 0 + -1 e 1 315 etot 1.3528E+20 mv 1 40 23 -150 0 + 4 e 134 305 etot -9.0235E+01 mv 1 40 6 -150 0 + 4 e 567 263 etot -7.7504E+01 mv 2 40 158 -169 0 + 4 e 238 279 etot -7.0899E+01 mv 2 40 175 -178 0 + 4 e 276 290 etot -8.5062E+01 mv 2 40 129 154 0 + 4 e 401 264 etot -7.5193E+01 mv 2 40 158 -94 0 + 4 e 238 293 etot -9.0075E+01 mv 2 40 33 -105 0 + 4 e 640 258 etot -5.8229E+01 mv 2 40 145 -44 0 + 4 e 154 310 etot -8.5017E+01 mv 1 40 10 -136 0 + 4 e 298 280 etot -6.9603E+01 mv 2 40 175 -60 0 + 4 e 315 297 etot -7.5108E+01 mv 2 40 197 -81 0 + 4 e 284 286 etot -7.5440E+01 mv 2 40 129 -27 0 + 4 e 150 314 etot -6.0931E+01 mv 1 40 23 -113 0 + 4 e 310 301 etot -8.9046E+01 mv 1 40 6 -69 0 + 4 e 259 296 etot -8.9187E+01 mv 2 40 197 137 0 + 4 e 314 292 etot -9.0080E+01 mv 2 40 33 142 0 + 4 e 278 299 etot -7.5346E+01 mv 2 40 197 -98 0 + 4 e 557 257 etot -8.0428E+01 mv 2 40 145 -199 0 + 4 e 388 282 etot -7.2328E+01 mv 2 40 186 -132 0 + 4 e 379 306 etot -7.7315E+01 mv 1 40 10 -159 0 + 4 e 243 320 etot -7.7015E+01 mv 1 40 76 -181 0 + 4 e 544 289 etot -7.9263E+01 mv 2 40 129 -199 0 + 4 e 292 304 etot -8.5076E+01 mv 1 40 6 -167 0 + 4 e 300 316 etot -8.4585E+01 mv 1 40 76 -198 0 + 4 e 305 318 etot -8.4752E+01 mv 1 40 76 -167 0 + 4 e 478 303 etot -7.6607E+01 mv 1 40 6 -104 0 + 4 e 213 319 etot -8.6248E+01 mv 1 40 76 -49 0 + 4 e 387 312 etot -7.9714E+01 mv 1 40 23 -6 0 + 4 e 440 308 etot -8.4300E+01 mv 1 40 10 -5 0 + 4 e 328 323 etot -7.6297E+01 mv 1 40 85 -143 0 + -1 e 1 345 etot 1.3528E+20 mv 1 40 108 -27 0 + 4 e 184 327 etot -7.3448E+01 mv 1 40 90 -160 0 + 4 e 514 307 etot -7.9728E+01 mv 1 40 10 -110 0 + 4 e 270 329 etot -7.8103E+01 mv 1 40 90 -37 0 + 4 e 147 331 etot -8.0947E+01 mv 1 40 92 -3 0 + 4 e 347 324 etot -7.5272E+01 mv 1 40 85 -110 0 + 4 e 422 300 etot -7.6115E+01 mv 2 40 197 137 0 + 4 e 529 309 etot -8.1701E+01 mv 1 40 10 -96 0 + 4 e 534 311 etot -8.4186E+01 mv 1 40 23 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382 364 etot -8.6912E+01 mv 1 40 158 -106 0 + 4 e 539 330 etot -8.6207E+01 mv 1 40 90 -144 0 + 4 e 447 342 etot -8.5461E+01 mv 1 40 108 -56 0 + 4 e 260 368 etot -7.3480E+01 mv 1 40 163 -153 0 + 4 e 174 384 etot -6.9207E+01 mv 1 40 186 -89 0 + 4 e 208 373 etot -7.3239E+01 mv 1 40 169 -45 0 + 4 e 605 346 etot -8.5787E+01 mv 1 40 110 -15 0 + 4 e 124 392 etot -6.1120E+01 mv 1 40 33 192 0 + 4 e 222 383 etot -7.8351E+01 mv 1 40 186 -72 0 + 4 e 433 350 etot -7.6839E+01 mv 1 40 110 -106 0 + 4 e 527 358 etot -8.0055E+01 mv 1 40 145 -15 0 + 4 e 67 401 etot -9.0235E+01 mv 0 40 6 0 0 c 6 0.3 0.0 + 4 e 279 380 etot -8.5525E+01 mv 1 40 175 -84 0 + 4 e 230 388 etot -8.5802E+01 mv 1 40 129 160 0 + 4 e 454 369 etot -8.0884E+01 mv 1 40 163 -178 0 + 4 e 321 379 etot -8.5525E+01 mv 1 40 175 -198 0 + 4 e 400 359 etot -7.9790E+01 mv 1 40 145 -16 0 + 4 e 127 402 etot -8.6260E+01 mv 0 40 10 0 0 c 10 1.1 0.0 + 4 e 156 395 etot -9.0080E+01 mv 1 40 33 153 0 + 4 e 79 406 etot -8.6208E+01 mv 0 40 90 0 0 c 90 0.6 0.0 + 4 e 276 390 etot -8.5063E+01 mv 1 40 129 92 0 + 4 e 286 391 etot -8.9653E+01 mv 1 40 33 -27 0 + 4 e 325 386 etot -8.5063E+01 mv 1 40 129 -5 0 + 4 e 123 405 etot -8.3338E+01 mv 0 40 85 0 0 + 4 e 90 409 etot -8.6069E+01 mv 0 40 108 0 0 + 4 e 257 381 etot -8.3246E+01 mv 1 40 186 -196 0 +## N0 total= 18 close= 12 far= 0 %acc 66.7 +## N1 total= 102 close= 2 far= 1 %acc 2.9 +## N2 total= 100 close= 8 far= 0 %acc 8.0 +## N3 total= 0 close= 0 far= 0 %acc 0.0 +## N4 total= 0 close= 0 far= 0 %acc 0.0 +## N5 total= 0 close= 0 far= 0 %acc 0.0 +## N6 total= 200 close= 19 far= 1 %acc 10.0 +## N7 total= 0 close= 0 far= 0 %acc 0.0 +## N8 total= 0 close= 0 far= 0 %acc 0.0 +## N9 total= 0 close= 0 far= 0 %acc 0.0 +##N10 total= 0 close= 0 far= 0 %acc 0.0 +##N11 total= 0 close= 0 far= 0 %acc 0.0 +##N12 total= 0 close= 0 far= 0 %acc 0.0 +##N13 total= 0 close= 0 far= 0 %acc 0.0 +##N14 total= 0 close= 0 far= 0 %acc 0.0 +##N15 total= 0 close= 0 far= 0 %acc 0.0 +##N16 total= 0 close= 0 far= 0 %acc 0.0 +##N17 total= 0 close= 0 far= 0 %acc 0.0 +##N18 total= 0 close= 0 far= 0 %acc 0.0 + Time for refresh 41 0.28 + make_var : nseed= 20 ntry= 420 + Time for make trial 42 0.09 +Nonsetup time 90.27 sec, Eval/s = 56886.30 +Time for iter 42 1.84 sec, Eval/s = 65781.69 + UPDATING 420 + 4 e 49 418 etot -8.5063E+01 mv 0 40 129 0 0 c 129 0.3 0.0 + 4 e 470 387 etot -6.2907E+01 mv 1 40 129 -108 0 + 4 e 71 413 etot -8.6913E+01 mv 0 40 158 0 0 c 158 0.7 0.0 + 4 e 401 389 etot -8.2778E+01 mv 1 40 129 83 0 + 4 e 275 393 etot -9.0080E+01 mv 1 40 33 125 0 + 4 e 136 407 etot -8.9325E+01 mv 0 40 92 0 0 c 92 1.1 0.0 + 4 e 166 414 etot -8.6792E+01 mv 0 40 163 0 0 + 4 e 160 403 etot -8.4188E+01 mv 0 40 23 0 0 c 23 3.3 0.0 + 4 e 157 416 etot -8.5526E+01 mv 0 40 175 0 0 c 175 0.6 0.0 + 4 e 102 410 etot -8.3829E+01 mv 0 40 110 0 0 + 4 e 105 408 etot -8.9945E+01 mv 0 40 106 0 0 c 106 1.2 0.0 + 4 e 512 378 etot -7.7632E+01 mv 1 40 175 -142 0 + 4 e 457 385 etot -7.7727E+01 mv 1 40 186 -157 0 + 4 e 655 361 etot -7.0142E+01 mv 1 40 158 -95 0 + 4 e 228 399 etot -6.1188E+01 mv 1 40 197 134 0 + 4 e 59 419 etot -9.0081E+01 mv 0 40 33 0 0 c 33 0.4 0.0 + 4 e 100 415 etot -8.3520E+01 mv 0 40 169 0 0 + 4 e 118 412 etot -8.3216E+01 mv 0 40 145 0 0 + 4 e 87 417 etot -8.3246E+01 mv 0 40 186 0 0 + -1 e 1 12 etot 1.3528E+20 mv 6 41 110 38 0 + -1 e 1 11 etot 1.3528E+20 mv 6 41 110 57 0 + -1 e 1 13 etot 1.3528E+20 mv 6 41 110 18 0 + 4 e 481 398 etot -8.6158E+01 mv 1 40 197 90 0 + 4 e 141 404 etot -8.6249E+01 mv 0 40 76 0 0 c 76 2.5 0.0 + 4 e 250 394 etot -9.0080E+01 mv 1 40 33 165 0 + 4 e 93 420 etot -8.9188E+01 mv 0 40 197 0 0 c 197 0.5 0.0 + 4 e 338 396 etot -8.8312E+01 mv 1 40 197 -87 0 + 4 e 299 397 etot -8.7743E+01 mv 1 40 197 -132 0 + 4 e 487 377 etot -8.1727E+01 mv 1 40 175 -34 0 + 4 e 314 382 etot -7.1845E+01 mv 1 40 186 -177 0 + 4 e 89 411 etot -8.4750E+01 mv 0 40 120 0 0 + 4 e 465 376 etot -7.2147E+01 mv 1 40 175 -112 0 + 4 e 485 372 etot -7.6569E+01 mv 1 40 169 -63 0 + -1 e 1 26 etot 1.6715E+25 mv 6 41 115 61 0 + 4 e 327 400 etot -7.7362E+01 mv 1 40 197 -151 0 + -1 e 1 32 etot 1.4350E+28 mv 6 41 120 43 0 + -1 e 1 33 etot 1.3528E+20 mv 6 41 120 46 0 + -1 e 1 36 etot 1.3528E+20 mv 6 41 120 171 0 + 4 e 153 22 etot -8.4588E+01 mv 6 41 115 85 0 c 85 2.2 0.0 + -1 e 1 39 etot 1.3528E+20 mv 6 41 120 192 0 + 4 e 189 24 etot -8.0137E+01 mv 6 41 115 184 0 + 4 e 171 37 etot -8.4935E+01 mv 6 41 120 22 0 c 120 2.9 0.0 + 4 e 190 15 etot -7.5013E+01 mv 6 41 110 169 0 + 4 e 232 1 etot -7.0091E+01 mv 6 41 85 182 0 + 4 e 226 2 etot -8.4588E+01 mv 6 41 85 179 0 + 4 e 195 9 etot -8.2031E+01 mv 6 41 85 190 0 + -1 e 1 46 etot 1.3528E+20 mv 6 41 135 127 0 + 4 e 210 18 etot -7.3675E+01 mv 6 41 110 27 0 + 4 e 212 7 etot -8.0964E+01 mv 6 41 85 56 0 + 4 e 220 23 etot -8.5025E+01 mv 6 41 115 194 0 + 4 e 220 35 etot -8.5054E+01 mv 6 41 120 8 0 + 4 e 214 38 etot -8.1993E+01 mv 6 41 120 20 0 + 4 e 31 50 etot -8.4558E+01 mv 6 41 135 185 0 c 185 0.1 0.0 + 4 e 261 30 etot -7.7126E+01 mv 6 41 115 180 0 + 4 e 258 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91 -166 0 + 4 e 217 385 etot -8.7814E+01 mv 1 41 91 -158 0 + 4 e 596 352 etot -8.4403E+01 mv 1 41 76 -163 0 + 4 e 315 374 etot -8.3902E+01 mv 1 41 104 -124 0 + 4 e 354 372 etot -6.9534E+01 mv 1 41 104 -79 0 + 4 e 251 383 etot -8.7814E+01 mv 1 41 91 -105 0 + 4 e 264 373 etot -7.2332E+01 mv 1 41 104 -93 0 + 4 e 594 332 etot -8.0875E+01 mv 1 41 145 -22 0 + 4 e 474 368 etot -8.2077E+01 mv 1 41 117 88 0 + 4 e 231 380 etot -8.8224E+01 mv 1 41 142 58 0 + 4 e 352 377 etot -8.8222E+01 mv 1 41 142 -59 0 + 4 e 107 401 etot -8.4588E+01 mv 0 41 85 0 0 + 4 e 108 402 etot -8.4011E+01 mv 0 41 110 0 0 c 110 1.6 0.0 + 4 e 223 390 etot -8.8083E+01 mv 1 41 61 22 0 + 4 e 355 381 etot -8.7055E+01 mv 1 41 91 76 0 + 4 e 12 415 etot -8.9060E+01 mv 0 41 104 0 0 c 104 0.0 0.0 + 4 e 118 405 etot -8.8558E+01 mv 0 41 135 0 0 c 135 0.6 0.0 + 4 e 120 403 etot -8.8709E+01 mv 0 41 115 0 0 c 115 2.2 0.0 + 4 e 194 396 etot -8.7514E+01 mv 1 41 125 -126 0 + 4 e 53 412 etot -8.8225E+01 mv 0 41 98 0 0 +## N0 total= 21 close= 13 far= 0 %acc 61.9 +## N1 total= 99 close= 8 far= 0 %acc 8.1 +## N2 total= 100 close= 2 far= 0 %acc 2.0 +## N3 total= 0 close= 0 far= 0 %acc 0.0 +## N4 total= 0 close= 0 far= 0 %acc 0.0 +## N5 total= 0 close= 0 far= 0 %acc 0.0 +## N6 total= 200 close= 13 far= 1 %acc 7.0 +## N7 total= 0 close= 0 far= 0 %acc 0.0 +## N8 total= 0 close= 0 far= 0 %acc 0.0 +## N9 total= 0 close= 0 far= 0 %acc 0.0 +##N10 total= 0 close= 0 far= 0 %acc 0.0 +##N11 total= 0 close= 0 far= 0 %acc 0.0 +##N12 total= 0 close= 0 far= 0 %acc 0.0 +##N13 total= 0 close= 0 far= 0 %acc 0.0 +##N14 total= 0 close= 0 far= 0 %acc 0.0 +##N15 total= 0 close= 0 far= 0 %acc 0.0 +##N16 total= 0 close= 0 far= 0 %acc 0.0 +##N17 total= 0 close= 0 far= 0 %acc 0.0 +##N18 total= 0 close= 0 far= 0 %acc 0.0 + Time for refresh 42 0.28 + make_var : nseed= 20 ntry= 420 + Time for make trial 43 0.09 +Nonsetup time 92.09 sec, Eval/s = 57054.80 +Time for iter 43 1.82 sec, Eval/s = 65410.75 + UPDATING 420 + 4 e 12 420 etot -8.7515E+01 mv 0 41 125 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181 71 etot -8.3217E+01 mv 6 42 140 88 0 + 4 e 454 57 etot -7.6200E+01 mv 6 42 120 74 0 + 4 e 285 74 etot -8.3061E+01 mv 6 42 140 84 0 + 4 e 236 81 etot -7.1389E+01 mv 6 42 145 55 0 + 4 e 186 92 etot -8.4310E+01 mv 6 42 187 35 0 c 187 38.5 0.4 + 4 e 438 67 etot -8.2653E+01 mv 6 42 127 120 0 + 4 e 313 75 etot -8.6942E+01 mv 6 42 140 168 0 + 4 e 207 80 etot -8.4613E+01 mv 6 42 140 49 0 + 4 e 330 69 etot -6.6554E+01 mv 6 42 127 28 0 + 4 e 314 68 etot -8.0904E+01 mv 6 42 127 167 0 + 4 e 277 90 etot -8.0492E+01 mv 6 42 145 136 0 + -1 e 1 111 etot 1.3528E+20 mv 6 42 191 14 0 + 4 e 213 96 etot -8.3949E+01 mv 6 42 187 90 0 + 4 e 211 87 etot -7.3857E+01 mv 6 42 145 78 0 + 4 e 347 78 etot -8.6943E+01 mv 6 42 140 139 0 + 4 e 415 79 etot -8.4805E+01 mv 6 42 140 78 0 + 4 e 235 98 etot -8.1153E+01 mv 6 42 187 113 0 + 4 e 224 101 etot -8.5921E+01 mv 6 42 57 104 0 + 4 e 256 89 etot -6.6857E+01 mv 6 42 145 124 0 + 4 e 238 103 etot -8.5921E+01 mv 6 42 57 167 0 + 4 e 309 97 etot -8.0811E+01 mv 6 42 187 192 0 + 4 e 481 72 etot -8.7099E+01 mv 6 42 140 69 0 + 4 e 343 99 etot -7.6883E+01 mv 6 42 187 55 0 + 4 e 499 83 etot -7.8842E+01 mv 6 42 145 87 0 + 4 e 387 77 etot -8.1401E+01 mv 6 42 140 100 0 + 4 e 190 112 etot -8.8918E+01 mv 6 42 191 140 0 + 4 e 557 62 etot -8.5174E+01 mv 6 42 127 137 0 + 4 e 539 82 etot -7.8842E+01 mv 6 42 145 119 0 + 4 e 39 127 etot -8.7772E+01 mv 6 42 17 150 0 c 150 0.2 0.0 + -1 e 1 130 etot 1.3528E+20 mv 6 42 17 111 0 + 4 e 227 114 etot -9.0761E+01 mv 6 42 191 83 0 + 4 e 468 95 etot -7.9659E+01 mv 6 42 187 68 0 + 4 e 336 104 etot -8.4219E+01 mv 6 42 57 191 0 + -1 e 1 134 etot 1.3528E+20 mv 6 42 101 142 0 + 4 e 121 122 etot -8.9028E+01 mv 6 42 17 101 0 c 101 0.9 0.0 + 4 e 366 106 etot -8.2922E+01 mv 6 42 57 18 0 + 4 e 364 107 etot -8.3430E+01 mv 6 42 57 185 0 + 4 e 384 105 etot -7.9452E+01 mv 6 42 57 73 0 + 4 e 374 108 etot -7.5388E+01 mv 6 42 57 39 0 + 4 e 132 120 etot -7.6606E+01 mv 6 42 191 106 0 + 4 e 618 86 etot -7.7848E+01 mv 6 42 145 95 0 + -1 e 1 142 etot 1.0108E+25 mv 6 42 135 192 0 + 4 e 284 116 etot -8.8978E+01 mv 6 42 191 180 0 c 54 169.3 0.4 + 4 e 504 76 etot -7.8651E+01 mv 6 42 140 86 0 + 4 e 137 135 etot -8.9028E+01 mv 6 42 101 196 0 + 4 e 479 84 etot -8.4282E+01 mv 6 42 145 188 0 + 4 e 341 119 etot -6.8375E+01 mv 6 42 191 70 0 + 4 e 118 140 etot -7.1035E+01 mv 6 42 101 132 0 + -1 e 1 149 etot 1.3528E+20 mv 6 42 135 177 0 + 4 e 422 93 etot -8.1023E+01 mv 6 42 187 85 0 + 4 e 272 125 etot -8.0915E+01 mv 6 42 17 85 0 + 4 e 277 124 etot -9.2302E+01 mv 6 42 17 59 0 + 4 e 331 110 etot -7.5818E+01 mv 6 42 57 125 0 + 4 e 402 117 etot -7.5447E+01 mv 6 42 191 98 0 + -1 e 1 154 etot 1.3528E+20 mv 6 42 117 57 0 + 4 e 257 129 etot -9.2302E+01 mv 6 42 17 37 0 + 4 e 262 131 etot -7.8796E+01 mv 6 42 101 172 0 + -1 e 1 158 etot 1.3528E+20 mv 6 42 117 126 0 + 4 e 351 123 etot -9.2302E+01 mv 6 42 17 172 0 + 4 e 277 132 etot -7.7348E+01 mv 6 42 101 111 0 + 4 e 260 137 etot -8.9027E+01 mv 6 42 101 111 0 + 4 e 534 94 etot -8.3564E+01 mv 6 42 187 181 0 + 4 e 401 102 etot -8.2752E+01 mv 6 42 57 69 0 + 4 e 462 118 etot -8.2351E+01 mv 6 42 191 105 0 + 4 e 239 144 etot -9.0081E+01 mv 6 42 135 80 0 + -1 e 1 166 etot 1.3862E+20 mv 6 42 142 156 0 + -1 e 1 167 etot 1.3528E+20 mv 6 42 142 48 0 + -1 e 1 168 etot 1.3528E+20 mv 6 42 142 175 0 + 4 e 167 141 etot -9.0745E+01 mv 6 42 135 31 0 + -1 e 1 170 etot 1.3528E+20 mv 6 42 142 148 0 + 4 e 402 115 etot -8.8507E+01 mv 6 42 191 133 0 c 198 114.6 0.3 + 4 e 486 121 etot -8.3735E+01 mv 6 42 17 115 0 + 4 e 246 146 etot -7.5670E+01 mv 6 42 135 91 0 + 4 e 215 150 etot -8.3884E+01 mv 6 42 135 59 0 c 59 3.8 0.0 + 4 e 28 173 etot -8.6208E+01 mv 6 42 91 90 0 c 90 0.1 0.0 + 4 e 258 148 etot -8.8557E+01 mv 6 42 135 184 0 + 4 e 222 153 etot -8.7257E+01 mv 6 42 117 42 0 + 4 e 177 161 etot -8.7579E+01 mv 6 42 142 178 0 + 4 e 240 152 etot -8.7256E+01 mv 6 42 117 192 0 + 4 e 235 145 etot -7.4593E+01 mv 6 42 135 145 0 + 4 e 202 160 etot -8.7977E+01 mv 6 42 117 162 0 + 4 e 367 126 etot -8.6540E+01 mv 6 42 17 32 0 + 4 e 448 139 etot -8.6463E+01 mv 6 42 101 104 0 + -1 e 1 184 etot 1.3528E+20 mv 6 42 178 115 0 + 4 e 470 113 etot -7.3899E+01 mv 6 42 191 184 0 + 4 e 256 159 etot -8.7978E+01 mv 6 42 117 114 0 + 4 e 376 128 etot -9.2266E+01 mv 6 42 17 70 0 + 4 e 242 147 etot -9.0337E+01 mv 6 42 135 69 0 c 33 15.0 0.3 + 4 e 476 138 etot -7.5879E+01 mv 6 42 101 44 0 + 4 e 207 156 etot -8.7978E+01 mv 6 42 117 50 0 + 4 e 303 157 etot -8.7256E+01 mv 6 42 117 173 0 + 4 e 125 171 etot -7.6401E+01 mv 6 42 91 9 0 + 4 e 570 133 etot -8.2385E+01 mv 6 42 101 61 0 + 4 e 603 109 etot -8.0212E+01 mv 6 42 57 65 0 + 4 e 314 165 etot -8.8224E+01 mv 6 42 142 114 0 + 4 e 600 136 etot -8.2017E+01 mv 6 42 101 181 0 + 4 e 411 155 etot -8.5500E+01 mv 6 42 117 185 0 f 71 385.6 2.0 + 4 e 548 143 etot -8.2360E+01 mv 6 42 135 122 0 + 4 e 276 175 etot -7.9937E+01 mv 6 42 91 179 0 + 4 e 381 162 etot -8.0585E+01 mv 6 42 142 93 0 + 4 e 247 180 etot -7.5423E+01 mv 6 42 91 164 0 + 4 e 234 185 etot -8.7579E+01 mv 6 42 178 84 0 + 4 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260 etot -9.0760E+01 mv 2 42 191 -36 0 + 4 e 204 287 etot -6.5369E+01 mv 2 42 91 -97 0 + 4 e 419 268 etot -7.9444E+01 mv 2 42 101 152 0 + 4 e 356 276 etot -8.2647E+01 mv 2 42 117 -162 0 + 4 e 196 290 etot -8.7814E+01 mv 2 42 91 117 0 + 4 e 318 269 etot -7.9610E+01 mv 2 42 101 105 0 + 4 e 447 271 etot -8.0044E+01 mv 2 42 135 61 0 + 4 e 281 286 etot -7.7935E+01 mv 2 42 91 190 0 + 4 e 394 280 etot -8.4136E+01 mv 2 42 117 80 0 + -1 e 1 313 etot 1.3528E+20 mv 1 42 85 -58 0 + 4 e 448 277 etot -7.9092E+01 mv 2 42 117 -123 0 + 4 e 201 297 etot -7.0722E+01 mv 2 42 125 -73 0 + 4 e 251 294 etot -8.7579E+01 mv 2 42 178 43 0 + -1 e 1 317 etot 1.3528E+20 mv 1 42 98 -41 0 + 4 e 224 299 etot -8.7514E+01 mv 2 42 125 150 0 + 4 e 660 231 etot -7.4595E+01 mv 2 42 127 -35 0 + 4 e 351 288 etot -7.8115E+01 mv 2 42 91 -150 0 + 4 e 185 296 etot -8.7514E+01 mv 2 42 125 -177 0 + -1 e 1 322 etot 1.3528E+20 mv 1 42 99 -132 0 + 4 e 252 300 etot -8.7514E+01 mv 2 42 125 80 0 + -1 e 1 324 etot 1.3528E+20 mv 1 42 99 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e 100 380 etot -8.7978E+01 mv 1 42 117 67 0 + 4 e 334 360 etot -9.0761E+01 mv 1 42 191 162 0 + 4 e 305 366 etot -8.9027E+01 mv 1 42 101 -151 0 + 4 e 332 364 etot -8.2389E+01 mv 1 42 17 111 0 + 4 e 300 367 etot -8.9027E+01 mv 1 42 101 31 0 + 4 e 249 361 etot -9.2302E+01 mv 1 42 17 -15 0 + 4 e 542 323 etot -7.8528E+01 mv 1 42 99 -74 0 + 4 e 365 353 etot -8.6018E+01 mv 1 42 57 -29 0 + 4 e 234 377 etot -8.7978E+01 mv 1 42 117 46 0 + 4 e 688 341 etot -8.3965E+01 mv 1 42 145 -134 0 + 4 e 360 355 etot -8.5082E+01 mv 1 42 57 45 0 + 4 e 292 375 etot -8.8557E+01 mv 1 42 135 -194 0 + 4 e 651 348 etot -7.6907E+01 mv 1 42 187 -99 0 + 4 e 229 371 etot -8.8178E+01 mv 1 42 135 70 0 + 4 e 132 386 etot -8.0768E+01 mv 1 42 91 130 0 + 4 e 134 390 etot -7.0963E+01 mv 1 42 91 144 0 + 4 e 509 344 etot -8.0884E+01 mv 1 42 145 -196 0 + 4 e 225 385 etot -8.7778E+01 mv 1 42 142 40 0 + 4 e 518 345 etot -8.0772E+01 mv 1 42 145 -160 0 + 4 e 340 376 etot -8.6617E+01 mv 1 42 117 164 0 + 4 e 219 378 etot -8.7978E+01 mv 1 42 117 -107 0 + 4 e 398 374 etot -8.5555E+01 mv 1 42 135 192 0 + 4 e 308 379 etot -7.9177E+01 mv 1 42 117 99 0 + 4 e 278 383 etot -8.8224E+01 mv 1 42 142 131 0 + 4 e 484 370 etot -8.7521E+01 mv 1 42 101 -42 0 + 4 e 66 405 etot -8.6567E+01 mv 0 42 99 0 0 c 99 0.6 0.0 + 4 e 340 382 etot -8.7416E+01 mv 1 42 142 125 0 + 4 e 521 369 etot -8.6465E+01 mv 1 42 101 159 0 + 4 e 105 401 etot -8.8728E+01 mv 0 42 13 0 0 c 13 0.7 0.0 + 4 e 321 373 etot -8.3768E+01 mv 1 42 135 -41 0 + 4 e 103 403 etot -8.5060E+01 mv 0 42 85 0 0 c 85 1.0 0.0 + 4 e 341 384 etot -8.8224E+01 mv 1 42 142 88 0 + 4 e 27 412 etot -9.0761E+01 mv 0 42 191 0 0 c 191 0.1 0.0 + 4 e 184 397 etot -7.3865E+01 mv 1 42 125 -58 0 + 4 e 46 411 etot -8.5922E+01 mv 0 42 57 0 0 c 57 0.2 0.0 +## N0 total= 19 close= 16 far= 0 %acc 84.2 +## N1 total= 101 close= 5 far= 1 %acc 5.9 +## N2 total= 100 close= 7 far= 0 %acc 7.0 +## N3 total= 0 close= 0 far= 0 %acc 0.0 +## N4 total= 0 close= 0 far= 0 %acc 0.0 +## N5 total= 0 close= 0 far= 0 %acc 0.0 +## N6 total= 200 close= 16 far= 3 %acc 9.5 +## N7 total= 0 close= 0 far= 0 %acc 0.0 +## N8 total= 0 close= 0 far= 0 %acc 0.0 +## N9 total= 0 close= 0 far= 0 %acc 0.0 +##N10 total= 0 close= 0 far= 0 %acc 0.0 +##N11 total= 0 close= 0 far= 0 %acc 0.0 +##N12 total= 0 close= 0 far= 0 %acc 0.0 +##N13 total= 0 close= 0 far= 0 %acc 0.0 +##N14 total= 0 close= 0 far= 0 %acc 0.0 +##N15 total= 0 close= 0 far= 0 %acc 0.0 +##N16 total= 0 close= 0 far= 0 %acc 0.0 +##N17 total= 0 close= 0 far= 0 %acc 0.0 +##N18 total= 0 close= 0 far= 0 %acc 0.0 + Time for refresh 43 0.33 + make_var : nseed= 20 ntry= 420 + Time for make trial 44 0.05 +Nonsetup time 94.16 sec, Eval/s = 57135.42 +Time for iter 44 2.08 sec, Eval/s = 60707.61 + UPDATING 420 + 4 e 415 398 etot -8.6224E+01 mv 1 42 125 164 0 + 4 e 26 419 etot -8.7580E+01 mv 0 42 178 0 0 + 4 e 126 409 etot -8.4394E+01 mv 0 42 145 0 0 + 4 e 720 389 etot -8.2490E+01 mv 1 42 91 21 0 + 4 e 60 413 etot -9.2303E+01 mv 0 42 17 0 0 c 17 0.2 0.0 + -1 e 1 1 etot 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%acc 0.0 +##N12 total= 0 close= 0 far= 0 %acc 0.0 +##N13 total= 0 close= 0 far= 0 %acc 0.0 +##N14 total= 0 close= 0 far= 0 %acc 0.0 +##N15 total= 0 close= 0 far= 0 %acc 0.0 +##N16 total= 0 close= 0 far= 0 %acc 0.0 +##N17 total= 0 close= 0 far= 0 %acc 0.0 +##N18 total= 0 close= 0 far= 0 %acc 0.0 + Time for refresh 44 0.26 + make_var : nseed= 20 ntry= 420 + Time for make trial 45 0.12 +Nonsetup time 96.00 sec, Eval/s = 57276.44 +Time for iter 45 1.84 sec, Eval/s = 64509.28 + UPDATING 420 + 4 e 549 370 etot -8.2857E+01 mv 1 43 187 -141 0 + 4 e 428 384 etot -7.5733E+01 mv 1 43 197 103 0 + 4 e 142 405 etot -8.5501E+01 mv 0 43 71 0 0 c 71 1.1 0.0 + 4 e 53 418 etot -8.9248E+01 mv 0 43 42 0 0 c 42 0.1 0.0 + 4 e 77 411 etot -8.6576E+01 mv 0 43 127 0 0 c 127 0.4 0.0 + 4 e 266 399 etot -8.8727E+01 mv 1 43 13 -105 0 + 4 e 129 409 etot -8.4200E+01 mv 0 43 103 0 0 c 103 1.3 0.0 + 4 e 133 410 etot -8.3653E+01 mv 0 43 112 0 0 + 4 e 355 398 etot -8.8727E+01 mv 1 43 13 -132 0 + 4 e 73 408 etot 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224 etot -8.0288E+01 mv 2 44 55 -77 0 + 4 e 502 202 etot -7.9784E+01 mv 2 44 23 -90 0 + 4 e 347 218 etot -6.7255E+01 mv 2 44 54 -61 0 + 4 e 370 225 etot -7.7126E+01 mv 2 44 55 -20 0 + 4 e 416 199 etot -8.7859E+01 mv 6 44 74 173 0 + 4 e 309 235 etot -8.9188E+01 mv 2 44 65 -47 0 c 65 3.4 0.0 + 4 e 272 240 etot -8.4424E+01 mv 2 44 82 -148 0 + 4 e 305 223 etot -7.2886E+01 mv 2 44 55 -50 0 + -1 e 1 264 etot 1.3528E+20 mv 2 44 175 -190 0 + 4 e 345 220 etot -7.7217E+01 mv 2 44 54 -186 0 + 4 e 307 242 etot -6.7957E+01 mv 2 44 92 -101 0 + -1 e 1 267 etot 1.3528E+20 mv 2 44 187 -107 0 + 4 e 425 230 etot -8.6837E+01 mv 2 44 62 -48 0 + 4 e 290 245 etot -8.5997E+01 mv 2 44 92 -110 0 + 4 e 355 238 etot -8.5157E+01 mv 2 44 82 -26 0 + 4 e 248 255 etot -7.1043E+01 mv 2 44 143 -13 0 + -1 e 1 272 etot 1.3528E+20 mv 2 44 198 -77 0 + 4 e 417 234 etot -8.8778E+01 mv 2 44 65 -51 0 + 4 e 480 231 etot -8.9187E+01 mv 2 44 65 -43 0 + -1 e 1 275 etot 1.3528E+20 mv 2 44 198 -178 0 + 4 e 191 256 etot -8.5942E+01 mv 2 44 146 -129 0 c 146 3.0 0.0 + 4 e 425 239 etot -8.3148E+01 mv 2 44 82 -135 0 + 4 e 477 237 etot -8.2772E+01 mv 2 44 82 -103 0 + 4 e 351 250 etot -8.4794E+01 mv 2 44 112 -138 0 + -1 e 1 280 etot 1.3528E+20 mv 2 44 71 -93 0 + 4 e 339 259 etot -7.9041E+01 mv 2 44 146 -31 0 + -1 e 1 282 etot 1.3528E+20 mv 2 44 42 60 0 + 4 e 256 260 etot -8.5941E+01 mv 2 44 146 -13 0 + 4 e 438 249 etot -8.2372E+01 mv 2 44 112 -35 0 + 4 e 135 278 etot -8.5501E+01 mv 2 44 71 -38 0 + 4 e 219 270 etot -6.7669E+01 mv 2 44 187 -16 0 + 4 e 437 254 etot -7.4370E+01 mv 2 44 143 -148 0 + 4 e 531 244 etot -8.5306E+01 mv 2 44 92 -18 0 + 4 e 198 276 etot -7.0585E+01 mv 2 44 71 -152 0 + 4 e 443 257 etot -7.5296E+01 mv 2 44 146 -145 0 + 4 e 203 274 etot -8.8696E+01 mv 2 44 198 -6 0 c 198 4.0 0.0 + -1 e 1 292 etot 1.3528E+20 mv 2 44 193 184 0 + 4 e 333 253 etot -8.1581E+01 mv 2 44 143 -98 0 + 4 e 480 258 etot -7.7431E+01 mv 2 44 146 -142 0 + 4 e 380 248 etot -6.8438E+01 mv 2 44 112 -83 0 + -1 e 1 296 etot 1.3528E+20 mv 2 44 74 168 0 + 4 e 235 266 etot -7.1942E+01 mv 2 44 187 -91 0 + 4 e 326 269 etot -5.9177E+01 mv 2 44 187 -186 0 + 4 e 414 246 etot -8.0589E+01 mv 2 44 112 -187 0 + 4 e 302 261 etot -6.2704E+01 mv 2 44 175 -79 0 + 4 e 424 263 etot -7.3873E+01 mv 2 44 175 -105 0 + 4 e 393 268 etot -6.9334E+01 mv 2 44 187 -4 0 + 4 e 183 285 etot -8.9248E+01 mv 2 44 42 61 0 + 4 e 252 279 etot -8.5501E+01 mv 2 44 71 -177 0 + -1 e 1 305 etot 1.3528E+20 mv 1 44 23 -196 0 + 4 e 342 273 etot -7.6266E+01 mv 2 44 198 -185 0 + 4 e 538 233 etot -8.0536E+01 mv 2 44 65 -33 0 + 4 e 480 262 etot -7.6494E+01 mv 2 44 175 -75 0 + 4 e 408 271 etot -8.2247E+01 mv 2 44 198 -154 0 + 4 e 305 283 etot -8.6273E+01 mv 2 44 42 -39 0 + 4 e 500 247 etot -7.3195E+01 mv 2 44 112 -200 0 + 4 e 250 286 etot -8.9187E+01 mv 2 44 197 137 0 + 4 e 379 265 etot -7.7565E+01 mv 2 44 175 -176 0 + 4 e 139 302 etot -6.0371E+01 mv 1 44 23 -190 0 + 4 e 270 291 etot -8.8122E+01 mv 2 44 193 87 0 + 4 e 150 303 etot -6.2836E+01 mv 1 44 23 -118 0 + 4 e 147 307 etot -6.9453E+01 mv 1 44 43 -34 0 + 4 e 307 290 etot -8.9187E+01 mv 2 44 197 -79 0 + 4 e 325 289 etot -7.4600E+01 mv 2 44 197 -126 0 + 4 e 429 281 etot -8.2981E+01 mv 2 44 42 200 0 + 4 e 597 241 etot -8.6176E+01 mv 2 44 92 -25 0 + 4 e 294 295 etot -8.8142E+01 mv 2 44 193 158 0 + 4 e 585 252 etot -7.4843E+01 mv 2 44 143 -58 0 + -1 e 1 324 etot 3.5121E+21 mv 1 44 55 -58 0 + 4 e 235 294 etot -8.1158E+01 mv 2 44 193 171 0 + 4 e 172 308 etot -7.0729E+01 mv 1 44 43 -166 0 + 4 e 169 317 etot -7.2919E+01 mv 1 44 54 -62 0 + 4 e 451 287 etot -8.4917E+01 mv 2 44 197 164 0 + -1 e 1 329 etot 1.3528E+20 mv 1 44 62 -24 0 + 4 e 202 316 etot -8.9200E+01 mv 1 44 54 -147 0 + 4 e 665 251 etot -8.3637E+01 mv 2 44 143 -80 0 + 4 e 318 309 etot -8.0550E+01 mv 1 44 43 -58 0 + 4 e 456 277 etot -8.1474E+01 mv 2 44 71 -78 0 + 4 e 186 321 etot -8.3971E+01 mv 1 44 55 -40 0 c 55 1.7 0.0 + 4 e 510 293 etot -7.7764E+01 mv 2 44 193 -106 0 + 4 e 263 315 etot -8.7747E+01 mv 1 44 45 -153 0 + -1 e 1 337 etot 1.3528E+20 mv 1 44 82 -50 0 + 4 e 537 288 etot -8.5733E+01 mv 2 44 197 44 0 + 4 e 307 298 etot -8.8083E+01 mv 2 44 74 83 0 + 4 e 314 310 etot -8.4555E+01 mv 1 44 43 -198 0 + 4 e 454 299 etot -8.2987E+01 mv 2 44 74 189 0 + -1 e 1 342 etot 1.3528E+20 mv 1 44 92 -6 0 + 4 e 318 311 etot -8.7144E+01 mv 1 44 45 -198 0 + 4 e 615 284 etot -8.1209E+01 mv 2 44 42 53 0 + 4 e 334 297 etot -7.8114E+01 mv 2 44 74 151 0 + 4 e 226 314 etot -7.5114E+01 mv 1 44 45 -138 0 + 4 e 299 320 etot -8.9199E+01 mv 1 44 54 -198 0 + -1 e 1 348 etot 1.3528E+20 mv 1 44 112 -78 0 + 4 e 160 325 etot -8.3971E+01 mv 1 44 55 -76 0 + 4 e 381 300 etot -7.7842E+01 mv 2 44 74 -60 0 + 4 e 552 306 etot -8.0987E+01 mv 1 44 43 -137 0 + -1 e 1 352 etot 1.3528E+20 mv 1 44 143 -35 0 + 4 e 399 319 etot -8.7859E+01 mv 1 44 54 -28 0 + 4 e 269 328 etot -7.3358E+01 mv 1 44 62 -90 0 + 4 e 262 330 etot -8.6838E+01 mv 1 44 62 -149 0 + 4 e 208 339 etot -8.6859E+01 mv 1 44 82 -113 0 c 82 2.7 0.0 + 4 e 420 323 etot -8.3970E+01 mv 1 44 55 -140 0 + 4 e 639 304 etot -8.6513E+01 mv 1 44 23 -144 0 + 4 e 295 331 etot -8.9187E+01 mv 1 44 65 -99 0 + 4 e 286 335 etot -8.9188E+01 mv 1 44 65 -9 0 c 65 3.5 0.0 + 4 e 320 333 etot -8.2647E+01 mv 1 44 65 -32 0 + 4 e 289 327 etot -8.6191E+01 mv 1 44 62 -47 0 + 4 e 502 301 etot -8.3490E+01 mv 1 44 23 -192 0 + 4 e 553 318 etot -7.8449E+01 mv 1 44 54 -77 0 + 4 e 261 349 etot -8.4759E+01 mv 1 44 112 -185 0 + 4 e 673 313 etot -8.7706E+01 mv 1 44 45 -186 0 + 4 e 452 312 etot -7.2545E+01 mv 1 44 45 -84 0 + 4 e 354 344 etot -8.4296E+01 mv 1 44 92 -45 0 + 4 e 374 326 etot -7.9694E+01 mv 1 44 62 -189 0 + 4 e 424 322 etot -6.4628E+01 mv 1 44 55 -59 0 + 4 e 309 332 etot -8.6555E+01 mv 1 44 65 -10 0 + 4 e 428 336 etot -8.3150E+01 mv 1 44 82 -167 0 + 4 e 236 355 etot -8.5115E+01 mv 1 44 143 -156 0 + 4 e 287 340 etot -8.0177E+01 mv 1 44 82 -65 0 + 4 e 271 353 etot -8.3052E+01 mv 1 44 143 -161 0 + 4 e 195 360 etot -8.5942E+01 mv 1 44 146 -18 0 + -1 e 1 377 etot 1.3528E+20 mv 1 44 71 -55 0 + 4 e 427 345 etot -8.9057E+01 mv 1 44 92 -85 0 + 4 e 484 338 etot -8.6983E+01 mv 1 44 82 -135 0 c 82 233.6 0.1 + 4 e 222 361 etot -8.5636E+01 mv 1 44 175 -67 0 c 175 1.4 0.0 + 4 e 319 356 etot -8.5941E+01 mv 1 44 146 -17 0 + 4 e 293 357 etot -8.3857E+01 mv 1 44 146 -65 0 + 4 e 336 346 etot -7.4642E+01 mv 1 44 112 -86 0 + 4 e 194 366 etot -8.4522E+01 mv 1 44 187 -19 0 c 187 2.3 0.0 + 4 e 556 343 etot -7.6259E+01 mv 1 44 92 -85 0 + 4 e 226 369 etot -6.7880E+01 mv 1 44 187 -161 0 + 4 e 376 347 etot -8.3284E+01 mv 1 44 112 -131 0 + 4 e 598 341 etot -8.9600E+01 mv 1 44 92 -143 0 + 4 e 457 354 etot -8.2804E+01 mv 1 44 143 -140 0 + 4 e 201 376 etot -8.5501E+01 mv 1 44 71 -79 0 + 4 e 197 379 etot -8.5501E+01 mv 1 44 71 -134 0 + 4 e 203 378 etot -6.9776E+01 mv 1 44 71 -35 0 + 4 e 442 359 etot -8.5940E+01 mv 1 44 146 -176 0 + 4 e 356 367 etot -8.1988E+01 mv 1 44 187 -56 0 + 4 e 314 373 etot -8.9229E+01 mv 1 44 198 -68 0 c 198 22.8 0.5 + -1 e 1 396 etot 1.3528E+20 mv 1 44 74 -78 0 + 4 e 414 365 etot -8.5634E+01 mv 1 44 175 -107 0 + 4 e 499 358 etot -8.7379E+01 mv 1 44 146 -92 0 + 4 e 303 363 etot -7.9087E+01 mv 1 44 175 -57 0 + 4 e 323 374 etot -8.8695E+01 mv 1 44 198 -197 0 + 4 e 244 381 etot -8.9247E+01 mv 1 44 42 158 0 + 4 e 456 362 etot -6.6742E+01 mv 1 44 175 -105 0 + 4 e 529 334 etot -7.8019E+01 mv 1 44 65 -29 0 + 4 e 310 364 etot -8.1121E+01 mv 1 44 175 -122 0 + 4 e 55 401 etot -8.4404E+01 mv 0 44 23 0 0 c 23 0.2 0.0 + 4 e 312 380 etot -8.5089E+01 mv 1 44 71 -123 0 + 4 e 63 402 etot -8.4663E+01 mv 0 44 43 0 0 + 4 e 282 371 etot -8.8695E+01 mv 1 44 198 -17 0 + 4 e 306 383 etot -8.9247E+01 mv 1 44 42 -200 0 + 4 e 315 382 etot -8.9247E+01 mv 1 44 42 132 0 + 4 e 259 390 etot -8.9187E+01 mv 1 44 197 -171 0 + 4 e 138 403 etot -8.7711E+01 mv 0 44 45 0 0 + 4 e 93 404 etot -8.9201E+01 mv 0 44 54 0 0 + 4 e 96 406 etot -8.6838E+01 mv 0 44 62 0 0 c 62 1.2 0.0 + 4 e 89 408 etot -8.6860E+01 mv 0 44 82 0 0 + 4 e 74 411 etot -8.5116E+01 mv 0 44 143 0 0 + 4 e 342 372 etot -7.8201E+01 mv 1 44 198 -83 0 + 4 e 310 387 etot -8.5647E+01 mv 1 44 197 117 0 + 4 e 214 388 etot -8.9187E+01 mv 1 44 197 12 0 +## N0 total= 22 close= 11 far= 0 %acc 50.0 +## N1 total= 98 close= 7 far= 0 %acc 7.1 +## N2 total= 100 close= 4 far= 0 %acc 4.0 +## N3 total= 0 close= 0 far= 0 %acc 0.0 +## N4 total= 0 close= 0 far= 0 %acc 0.0 +## N5 total= 0 close= 0 far= 0 %acc 0.0 +## N6 total= 200 close= 17 far= 1 %acc 9.0 +## N7 total= 0 close= 0 far= 0 %acc 0.0 +## N8 total= 0 close= 0 far= 0 %acc 0.0 +## N9 total= 0 close= 0 far= 0 %acc 0.0 +##N10 total= 0 close= 0 far= 0 %acc 0.0 +##N11 total= 0 close= 0 far= 0 %acc 0.0 +##N12 total= 0 close= 0 far= 0 %acc 0.0 +##N13 total= 0 close= 0 far= 0 %acc 0.0 +##N14 total= 0 close= 0 far= 0 %acc 0.0 +##N15 total= 0 close= 0 far= 0 %acc 0.0 +##N16 total= 0 close= 0 far= 0 %acc 0.0 +##N17 total= 0 close= 0 far= 0 %acc 0.0 +##N18 total= 0 close= 0 far= 0 %acc 0.0 + Time for refresh 45 0.28 + make_var : nseed= 20 ntry= 420 + Time for make trial 46 0.15 +Nonsetup time 97.99 sec, Eval/s = 57381.92 +Time for iter 46 1.99 sec, Eval/s = 62465.00 + UPDATING 420 + 4 e 53 417 etot -8.9248E+01 mv 0 44 42 0 0 + 4 e 578 397 etot -8.8403E+01 mv 1 44 74 196 0 + 4 e 469 394 etot -7.1537E+01 mv 1 44 193 -33 0 + 4 e 386 385 etot -8.9247E+01 mv 1 44 42 62 0 + 4 e 624 386 etot -7.4930E+01 mv 1 44 197 -161 0 + 4 e 77 413 etot -8.5637E+01 mv 0 44 175 0 0 c 175 0.5 0.0 + 4 e 115 407 etot -8.9188E+01 mv 0 44 65 0 0 c 65 2.0 0.0 + 4 e 261 393 etot -7.7314E+01 mv 1 44 193 180 0 + 4 e 206 395 etot -8.8142E+01 mv 1 44 193 -42 0 + 4 e 356 389 etot -8.2158E+01 mv 1 44 197 55 0 + 4 e 87 410 etot -8.4795E+01 mv 0 44 112 0 0 c 112 1.4 0.0 + 4 e 65 416 etot -8.5501E+01 mv 0 44 71 0 0 c 71 0.7 0.0 + 4 e 149 415 etot -8.8696E+01 mv 0 44 198 0 0 + 4 e 77 419 etot -8.8143E+01 mv 0 44 193 0 0 c 193 0.5 0.0 + 4 e 284 392 etot -8.8142E+01 mv 1 44 193 56 0 + -1 e 1 5 etot 1.3528E+20 mv 6 45 20 126 0 + 4 e 79 412 etot -8.5942E+01 mv 0 44 146 0 0 c 146 0.9 0.0 + 4 e 227 399 etot -8.8050E+01 mv 1 44 74 -30 0 + 4 e 261 398 etot -8.8050E+01 mv 1 44 74 22 0 + 4 e 308 391 etot -8.8142E+01 mv 1 44 193 -187 0 + 4 e 459 370 etot -8.3085E+01 mv 1 44 187 -131 0 + 4 e 411 384 etot -8.9411E+01 mv 1 44 42 1 0 + -1 e 1 16 etot 1.3528E+20 mv 6 45 27 49 0 + 4 e 111 405 etot -8.3972E+01 mv 0 44 55 0 0 c 55 0.5 0.0 + 4 e 217 400 etot -7.2212E+01 mv 1 44 74 -70 0 + 4 e 633 350 etot -8.4074E+01 mv 1 44 112 -117 0 + 4 e 88 409 etot -9.0747E+01 mv 0 44 92 0 0 c 92 0.7 0.0 + 4 e 425 368 etot -7.7853E+01 mv 1 44 187 -11 0 + 4 e 117 414 etot -8.4522E+01 mv 0 44 187 0 0 c 187 1.6 0.0 + 4 e 562 351 etot -8.3332E+01 mv 1 44 143 -154 0 + 4 e 496 375 etot -7.9280E+01 mv 1 44 198 -96 0 + 4 e 19 418 etot -8.9188E+01 mv 0 44 197 0 0 + 4 e 44 420 etot -8.8051E+01 mv 0 44 74 0 0 c 74 0.1 0.0 + -1 e 1 33 etot 1.3528E+20 mv 6 45 45 161 0 + 4 e 130 26 etot -7.7348E+01 mv 6 45 43 77 0 + 4 e 155 30 etot -8.1356E+01 mv 6 45 43 200 0 + -1 e 1 36 etot 1.3528E+20 mv 6 45 45 177 0 + 4 e 176 1 etot -8.7381E+01 mv 6 45 20 3 0 c 20 1.0 0.0 + -1 e 1 38 etot 1.3528E+20 mv 6 45 45 131 0 + 4 e 62 35 etot -8.5024E+01 mv 6 45 45 44 0 c 44 0.4 0.0 + 4 e 188 23 etot -8.4340E+01 mv 6 45 43 196 0 + 4 e 191 10 etot -8.7381E+01 mv 6 45 20 11 0 + 4 e 24 39 etot -8.4192E+01 mv 6 45 45 47 0 c 47 0.0 0.0 + 4 e 200 7 etot -8.4748E+01 mv 6 45 20 26 0 + 4 e 230 31 etot -7.6486E+01 mv 6 45 45 153 0 + 4 e 245 18 etot -8.0888E+01 mv 6 45 27 138 0 + 4 e 264 28 etot -7.9766E+01 mv 6 45 43 59 0 + 4 e 282 2 etot -8.6679E+01 mv 6 45 20 133 0 + 4 e 285 14 etot -8.1997E+01 mv 6 45 27 161 0 + 4 e 296 12 etot -8.9489E+01 mv 6 45 27 193 0 + 4 e 296 6 etot -7.4500E+01 mv 6 45 20 73 0 + 4 e 174 21 etot -8.3723E+01 mv 6 45 43 72 0 + 4 e 329 27 etot -8.5753E+01 mv 6 45 43 21 0 + -1 e 1 53 etot 1.3528E+20 mv 6 45 82 185 0 + 4 e 327 29 etot -8.4035E+01 mv 6 45 43 110 0 + -1 e 1 55 etot 1.3528E+20 mv 6 45 82 132 0 + -1 e 1 56 etot 1.3528E+20 mv 6 45 82 109 0 + 4 e 344 9 etot -8.0207E+01 mv 6 45 20 187 0 + 4 e 347 19 etot -8.6738E+01 mv 6 45 27 89 0 + 4 e 349 8 etot -7.7160E+01 mv 6 45 20 12 0 + -1 e 1 60 etot 1.3528E+20 mv 6 45 82 71 0 + 4 e 250 22 etot -8.4809E+01 mv 6 45 43 80 0 + 4 e 206 40 etot -8.7450E+01 mv 6 45 45 111 0 + -1 e 1 63 etot 1.3528E+20 mv 6 45 83 65 0 + 4 e 382 15 etot -8.3656E+01 mv 6 45 27 24 0 + 4 e 410 13 etot -7.5588E+01 mv 6 45 27 192 0 + 4 e 229 25 etot -7.3816E+01 mv 6 45 43 136 0 + 4 e 401 20 etot -8.3934E+01 mv 6 45 27 3 0 + 4 e 415 17 etot -8.8323E+01 mv 6 45 27 195 0 + 4 e 378 34 etot -8.6189E+01 mv 6 45 45 84 0 + 4 e 423 32 etot -8.6319E+01 mv 6 45 45 60 0 + 4 e 254 48 etot -8.7933E+01 mv 6 45 54 24 0 + 4 e 562 3 etot -8.5816E+01 mv 6 45 20 79 0 + 4 e 158 51 etot -8.7991E+01 mv 6 45 82 46 0 c 82 68.7 1.0 + -1 e 1 74 etot 1.3528E+20 mv 6 45 89 120 0 + -1 e 1 75 etot 1.3528E+20 mv 6 45 89 170 0 + 4 e 493 4 etot -8.0173E+01 mv 6 45 20 71 0 + 4 e 256 45 etot -8.8115E+01 mv 6 45 54 109 0 + 4 e 408 43 etot -7.5298E+01 mv 6 45 54 10 0 + -1 e 1 79 etot 1.3528E+20 mv 6 45 89 78 0 + 4 e 245 46 etot -8.7933E+01 mv 6 45 54 183 0 + -1 e 1 81 etot 1.3528E+20 mv 6 45 132 139 0 + 4 e 321 41 etot -8.8025E+01 mv 6 45 54 82 0 c 9 164.7 0.2 + 4 e 203 50 etot -8.9262E+01 mv 6 45 54 38 0 + 4 e 165 61 etot -8.0527E+01 mv 6 45 83 116 0 + 4 e 189 68 etot -8.3465E+01 mv 6 45 83 166 0 + 4 e 568 11 etot -8.4141E+01 mv 6 45 27 155 0 + 4 e 192 65 etot -6.4174E+01 mv 6 45 83 166 0 + 4 e 320 47 etot -8.4362E+01 mv 6 45 54 65 0 c 55 66.7 0.4 + 4 e 210 69 etot -8.3714E+01 mv 6 45 83 31 0 + 4 e 378 37 etot -8.4203E+01 mv 6 45 45 159 0 + 4 e 225 73 etot -8.5402E+01 mv 6 45 89 135 0 + 4 e 193 66 etot -8.1307E+01 mv 6 45 83 131 0 + 4 e 325 49 etot -8.7932E+01 mv 6 45 54 119 0 + 4 e 173 71 etot -8.4559E+01 mv 6 45 89 43 0 + 4 e 365 59 etot -8.8124E+01 mv 6 45 82 141 0 + 4 e 306 58 etot -8.6985E+01 mv 6 45 82 71 0 + 4 e 241 82 etot -7.7314E+01 mv 6 45 132 60 0 + 4 e 226 70 etot -8.4121E+01 mv 6 45 83 54 0 + 4 e 287 80 etot -8.7401E+01 mv 6 45 89 20 0 c 89 53.6 0.1 + 4 e 152 85 etot -7.7933E+01 mv 6 45 132 21 0 + 4 e 178 86 etot -8.7748E+01 mv 6 45 132 45 0 c 45 1.1 0.0 + 4 e 369 57 etot -8.6984E+01 mv 6 45 82 164 0 + 4 e 236 84 etot -8.4721E+01 mv 6 45 132 192 0 + 4 e 619 44 etot -8.9684E+01 mv 6 45 54 168 0 + 4 e 377 54 etot -8.5527E+01 mv 6 45 82 129 0 + 4 e 313 83 etot -8.7057E+01 mv 6 45 132 53 0 + 4 e 161 94 etot -7.3756E+01 mv 6 45 153 56 0 + 4 e 368 64 etot -7.6049E+01 mv 6 45 83 150 0 + -1 e 1 109 etot 1.3528E+20 mv 6 45 198 3 0 + 4 e 431 77 etot -8.0463E+01 mv 6 45 89 190 0 + -1 e 1 111 etot 1.3528E+20 mv 6 45 199 88 0 + 4 e 236 93 etot -7.6238E+01 mv 6 45 153 101 0 + 4 e 486 72 etot -7.8497E+01 mv 6 45 89 128 0 + 4 e 275 88 etot -6.8697E+01 mv 6 45 132 67 0 + 4 e 213 96 etot -8.3354E+01 mv 6 45 153 128 0 + 4 e 640 42 etot -9.0797E+01 mv 6 45 54 82 0 + 4 e 160 105 etot -7.0363E+01 mv 6 45 198 45 0 + 4 e 155 107 etot -8.4587E+01 mv 6 45 198 69 0 + -1 e 1 119 etot 1.3528E+20 mv 6 45 199 106 0 + 4 e 254 98 etot -7.5445E+01 mv 6 45 153 66 0 + 4 e 334 87 etot -8.5436E+01 mv 6 45 132 163 0 + 4 e 158 103 etot -7.1601E+01 mv 6 45 198 132 0 + 4 e 584 76 etot -8.2466E+01 mv 6 45 89 19 0 + 4 e 201 108 etot -7.5334E+01 mv 6 45 198 179 0 + 4 e 274 102 etot -7.6904E+01 mv 6 45 198 1 0 + 4 e 289 101 etot -8.9064E+01 mv 6 45 198 69 0 + 4 e 412 92 etot -8.4220E+01 mv 6 45 153 155 0 f 2 321.0 0.6 + 4 e 332 100 etot -7.7699E+01 mv 6 45 153 164 0 + 4 e 273 91 etot -8.7266E+01 mv 6 45 153 55 0 + 4 e 245 67 etot -8.6354E+01 mv 6 45 83 62 0 c 83 30.7 0.1 + 4 e 271 62 etot -8.0483E+01 mv 6 45 83 94 0 + 4 e 337 104 etot -7.0688E+01 mv 6 45 198 95 0 + 4 e 295 95 etot -8.6895E+01 mv 6 45 153 139 0 + 4 e 285 112 etot -8.5044E+01 mv 6 45 199 9 0 + 4 e 247 99 etot -8.6812E+01 mv 6 45 153 150 0 + 4 e 291 113 etot -8.6095E+01 mv 6 45 199 168 0 c 199 8.3 0.0 + 4 e 257 116 etot -8.3628E+01 mv 6 45 199 128 0 + 4 e 444 97 etot -8.0754E+01 mv 6 45 153 5 0 + 4 e 580 90 etot -8.0509E+01 mv 6 45 132 149 0 + 4 e 272 106 etot -8.9229E+01 mv 6 45 198 58 0 + 4 e 430 89 etot -8.0785E+01 mv 6 45 132 185 0 + 4 e 231 125 etot -8.7036E+01 mv 6 45 163 69 0 c 163 26.2 0.1 + 4 e 579 24 etot -9.1681E+01 mv 6 45 43 11 0 c 82 130.7 3.7 + 4 e 264 122 etot -7.2105E+01 mv 6 45 163 134 0 + 4 e 375 115 etot -8.7066E+01 mv 6 45 199 61 0 + 4 e 282 121 etot -8.5170E+01 mv 6 45 163 35 0 c 185 143.6 0.6 + 4 e 226 127 etot -8.3719E+01 mv 6 45 163 93 0 + 4 e 377 52 etot -7.9024E+01 mv 6 45 82 71 0 + 4 e 348 120 etot -8.1588E+01 mv 6 45 199 162 0 + 4 e 438 114 etot -8.7932E+01 mv 6 45 199 161 0 + 4 e 339 124 etot -8.7380E+01 mv 6 45 163 129 0 + -1 e 1 152 etot 1.3528E+20 mv 6 45 101 9 0 + 4 e 558 78 etot -8.0972E+01 mv 6 45 89 82 0 + 4 e 347 110 etot -9.0761E+01 mv 6 45 198 92 0 + 4 e 224 139 etot -8.9187E+01 mv 6 45 197 113 0 + 4 e 464 117 etot -8.4402E+01 mv 6 45 199 68 0 + 4 e 215 130 etot -7.0551E+01 mv 6 45 163 173 0 + 4 e 307 133 etot -7.9501E+01 mv 6 45 197 107 0 + 4 e 202 143 etot -8.9075E+01 mv 6 45 37 122 0 + 4 e 310 135 etot -8.6040E+01 mv 6 45 197 120 0 c 140 146.8 1.2 + 4 e 433 128 etot 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156 etot -7.6110E+01 mv 6 45 101 162 0 + 4 e 223 166 etot -8.6576E+01 mv 6 45 61 90 0 + 4 e 205 169 etot -8.6610E+01 mv 6 45 61 4 0 + 4 e 437 150 etot -8.9073E+01 mv 6 45 37 176 0 + 4 e 185 144 etot -8.9074E+01 mv 6 45 37 66 0 + 4 e 402 153 etot -8.6271E+01 mv 6 45 101 5 0 f 86 370.3 2.6 + -1 e 1 188 etot 1.3528E+20 mv 6 45 139 176 0 + 4 e 289 163 etot -8.4265E+01 mv 6 45 61 179 0 + 4 e 182 175 etot -7.0120E+01 mv 6 45 117 35 0 + 4 e 358 161 etot -9.2233E+01 mv 6 45 61 6 0 + 4 e 349 131 etot -8.7003E+01 mv 6 45 197 7 0 + 4 e 240 173 etot -7.7157E+01 mv 6 45 117 131 0 + 4 e 265 158 etot -8.5741E+01 mv 6 45 101 10 0 + 4 e 292 149 etot -8.7432E+01 mv 6 45 37 162 0 + 4 e 569 148 etot -8.5600E+01 mv 6 45 37 18 0 + -1 e 1 197 etot 9.1767E+20 mv 6 45 193 2 0 + 4 e 244 177 etot -8.7978E+01 mv 6 45 117 196 0 + 4 e 188 180 etot -8.7978E+01 mv 6 45 117 187 0 + 4 e 257 171 etot -8.6746E+01 mv 6 45 117 72 0 + 4 e 390 172 etot -8.7977E+01 mv 6 45 117 130 0 + 4 e 481 134 etot -8.5821E+01 mv 6 45 197 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-6.2597E+01 mv 2 45 89 -172 0 + 4 e 444 226 etot -8.8108E+01 mv 2 45 82 -107 0 + 4 e 510 222 etot -8.2285E+01 mv 2 45 54 -22 0 + 4 e 167 246 etot -7.2516E+01 mv 2 45 153 -111 0 + 4 e 195 250 etot -7.0984E+01 mv 2 45 153 -29 0 + 4 e 416 233 etot -7.9439E+01 mv 2 45 83 -78 0 + 4 e 278 241 etot -7.3403E+01 mv 2 45 132 -34 0 + 4 e 260 245 etot -8.7272E+01 mv 2 45 132 -125 0 c 132 3.3 0.0 + 4 e 331 229 etot -7.6005E+01 mv 2 45 82 -24 0 + -1 e 1 272 etot 1.3528E+20 mv 2 45 37 -176 0 + 4 e 301 232 etot -8.3533E+01 mv 2 45 83 -4 0 + 4 e 309 242 etot -7.5655E+01 mv 2 45 132 -97 0 + -1 e 1 275 etot 1.3528E+20 mv 2 45 37 118 0 + 4 e 584 220 etot -8.1245E+01 mv 2 45 45 -17 0 + 4 e 544 208 etot -8.1125E+01 mv 2 45 27 -99 0 + 4 e 429 237 etot -8.6004E+01 mv 2 45 89 -38 0 + 4 e 212 249 etot -8.3833E+01 mv 2 45 153 -173 0 c 153 6.8 0.0 + -1 e 1 280 etot 1.3528E+20 mv 2 45 101 144 0 + 4 e 333 238 etot -7.1406E+01 mv 2 45 89 -105 0 + 4 e 173 261 etot -8.6929E+01 mv 2 45 163 -174 0 + -1 e 1 283 etot 1.3528E+20 mv 2 45 61 181 0 + 4 e 671 223 etot -7.9657E+01 mv 2 45 54 -92 0 + 4 e 456 243 etot -7.4150E+01 mv 2 45 132 -115 0 + 4 e 368 254 etot -7.8843E+01 mv 2 45 198 -192 0 + 4 e 387 253 etot -8.6896E+01 mv 2 45 198 -52 0 + 4 e 239 265 etot -8.6929E+01 mv 2 45 163 91 0 + 4 e 685 227 etot -7.0075E+01 mv 2 45 82 -108 0 + 4 e 260 262 etot -7.9729E+01 mv 2 45 163 119 0 + 4 e 177 263 etot -8.5456E+01 mv 2 45 163 146 0 + 4 e 338 255 etot -7.8401E+01 mv 2 45 198 -186 0 + 4 e 185 264 etot -7.0826E+01 mv 2 45 163 -83 0 + 4 e 274 268 etot -7.5850E+01 mv 2 45 197 -33 0 + 4 e 159 278 etot -8.9028E+01 mv 2 45 101 -96 0 + 4 e 314 269 etot -8.7743E+01 mv 2 45 197 66 0 + 4 e 398 244 etot -7.9812E+01 mv 2 45 132 -15 0 + 4 e 319 276 etot -6.7554E+01 mv 2 45 101 -100 0 + 4 e 246 285 etot -7.1147E+01 mv 2 45 61 157 0 + 4 e 291 259 etot -8.4932E+01 mv 2 45 199 -29 0 + 4 e 154 293 etot -8.7900E+01 mv 2 45 139 -18 0 + 4 e 310 260 etot -8.4626E+01 mv 2 45 199 -38 0 + 4 e 170 289 etot -8.7978E+01 mv 2 45 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e 351 304 etot -8.6242E+01 mv 1 45 20 -30 0 + 4 e 260 311 etot -7.9086E+01 mv 1 45 43 -183 0 + -1 e 1 325 etot 1.3528E+20 mv 1 45 54 -6 0 + 4 e 491 274 etot -7.7751E+01 mv 2 45 37 -11 0 + 4 e 545 287 etot -8.0289E+01 mv 2 45 117 -28 0 + 4 e 295 298 etot -8.3497E+01 mv 2 45 193 177 0 + 4 e 451 297 etot -8.0846E+01 mv 2 45 193 -144 0 + 4 e 446 282 etot -8.7427E+01 mv 2 45 61 28 0 + 4 e 177 319 etot -7.8227E+01 mv 1 45 45 -5 0 + 4 e 366 307 etot -7.6774E+01 mv 1 45 27 -110 0 + 4 e 156 251 etot -8.9230E+01 mv 2 45 198 -140 0 c 198 2.0 0.0 + 4 e 222 315 etot -8.4810E+01 mv 1 45 43 -102 0 c 43 2.4 0.0 + 4 e 465 305 etot -7.4043E+01 mv 1 45 20 -169 0 + 4 e 434 310 etot -7.8295E+01 mv 1 45 27 -153 0 + -1 e 1 338 etot 1.3528E+20 mv 1 45 89 -160 0 + 4 e 181 327 etot -7.4464E+01 mv 1 45 82 -143 0 + 4 e 330 318 etot -8.7747E+01 mv 1 45 45 -32 0 + 4 e 375 312 etot -7.7479E+01 mv 1 45 43 -162 0 + 4 e 698 257 etot -8.0661E+01 mv 2 45 199 -20 0 + 4 e 365 320 etot -8.7748E+01 mv 1 45 45 -192 0 + 4 e 357 277 etot -7.9610E+01 mv 2 45 101 -186 0 + -1 e 1 345 etot 1.3528E+20 mv 1 45 132 -95 0 + 4 e 254 329 etot -8.7002E+01 mv 1 45 82 -168 0 + 4 e 307 314 etot -8.1794E+01 mv 1 45 43 -85 0 + 4 e 315 313 etot -8.1611E+01 mv 1 45 43 -81 0 + 4 e 366 322 etot -8.1160E+01 mv 1 45 54 -141 0 + 4 e 699 300 etot -8.2523E+01 mv 2 45 193 -182 0 + 4 e 249 324 etot -8.9262E+01 mv 1 45 54 -165 0 + 4 e 289 334 etot -8.9601E+01 mv 1 45 83 -16 0 + 4 e 480 303 etot -7.8341E+01 mv 1 45 20 -184 0 + 4 e 350 317 etot -7.9586E+01 mv 1 45 45 -180 0 + 4 e 504 258 etot -8.4115E+01 mv 2 45 199 -175 0 + 4 e 304 335 etot -8.6257E+01 mv 1 45 83 -30 0 + 4 e 299 323 etot -7.6474E+01 mv 1 45 54 -110 0 + 4 e 648 309 etot -9.0928E+01 mv 1 45 27 -135 0 + 4 e 166 344 etot -5.6769E+01 mv 1 45 132 -98 0 + 4 e 278 332 etot -7.4068E+01 mv 1 45 83 -159 0 + 4 e 595 316 etot -8.7119E+01 mv 1 45 45 -10 0 + 4 e 388 336 etot -8.5495E+01 mv 1 45 89 -129 0 + 4 e 507 308 etot -8.9487E+01 mv 1 45 27 -15 0 + 4 e 449 331 etot -7.5483E+01 mv 1 45 83 -77 0 + 4 e 347 339 etot -5.9834E+01 mv 1 45 89 -135 0 + 4 e 349 328 etot -8.0799E+01 mv 1 45 82 -187 0 + 4 e 405 321 etot -8.7898E+01 mv 1 45 54 -164 0 + 4 e 521 326 etot -8.6960E+01 mv 1 45 82 -144 0 + 4 e 343 330 etot -8.6871E+01 mv 1 45 82 -126 0 + 4 e 351 340 etot -8.6737E+01 mv 1 45 89 -42 0 + 4 e 488 333 etot -7.0230E+01 mv 1 45 83 -183 0 + 4 e 265 351 etot -8.8695E+01 mv 1 45 198 -13 0 + 4 e 163 355 etot -8.9230E+01 mv 1 45 198 -186 0 c 198 1.0 0.0 + 4 e 341 346 etot -8.4034E+01 mv 1 45 153 -20 0 c 153 123.1 0.2 + 4 e 460 342 etot -7.6933E+01 mv 1 45 132 -32 0 + 4 e 247 363 etot -8.6733E+01 mv 1 45 163 -200 0 + 4 e 184 361 etot -8.6929E+01 mv 1 45 163 164 0 + 4 e 263 362 etot -8.6928E+01 mv 1 45 163 155 0 + 4 e 401 350 etot -8.2614E+01 mv 1 45 153 -25 0 + 4 e 299 360 etot -8.6095E+01 mv 1 45 199 -32 0 + 4 e 579 337 etot -5.6961E+01 mv 1 45 89 -96 0 + 4 e 240 366 etot -8.8223E+01 mv 1 45 197 -67 0 + 4 e 275 365 etot -8.6929E+01 mv 1 45 163 -75 0 + 4 e 296 352 etot -6.1765E+01 mv 1 45 198 -189 0 + 4 e 315 349 etot -8.1812E+01 mv 1 45 153 -190 0 + 4 e 223 364 etot -7.2661E+01 mv 1 45 163 -190 0 + 4 e 444 353 etot -7.5344E+01 mv 1 45 198 -128 0 + 4 e 608 341 etot -8.4805E+01 mv 1 45 132 -30 0 + 4 e 310 354 etot -8.9542E+01 mv 1 45 198 -4 0 c 198 37.6 0.3 + 4 e 552 347 etot -8.4026E+01 mv 1 45 153 -171 0 + 4 e 460 359 etot -8.5567E+01 mv 1 45 199 -124 0 + 4 e 451 343 etot -8.5488E+01 mv 1 45 132 -21 0 + 4 e 393 348 etot -7.0913E+01 mv 1 45 153 -194 0 + 4 e 232 370 etot -8.9187E+01 mv 1 45 197 160 0 + 4 e 495 356 etot -8.0312E+01 mv 1 45 199 -28 0 + 4 e 212 376 etot -6.9151E+01 mv 1 45 101 -57 0 + 4 e 309 373 etot -8.6267E+01 mv 1 45 37 -23 0 + 4 e 394 369 etot -8.7003E+01 mv 1 45 197 150 0 + -1 e 1 399 etot 1.3528E+20 mv 1 45 193 198 0 + 4 e 405 371 etot -8.5958E+01 mv 1 45 37 71 0 + 4 e 331 375 etot -8.1680E+01 mv 1 45 37 172 0 + 4 e 252 379 etot -7.6540E+01 mv 1 45 101 -18 0 + 4 e 237 380 etot -8.9027E+01 mv 1 45 101 76 0 + 4 e 313 367 etot -7.0562E+01 mv 1 45 197 -198 0 + 4 e 241 374 etot -8.9074E+01 mv 1 45 37 41 0 + 4 e 177 391 etot -7.3607E+01 mv 1 45 139 180 0 + 4 e 336 368 etot -8.9187E+01 mv 1 45 197 91 0 + 4 e 73 401 etot -8.7381E+01 mv 0 45 20 0 0 c 20 0.6 0.0 + 4 e 70 403 etot -8.4810E+01 mv 0 45 43 0 0 c 43 1.2 0.0 + 4 e 218 389 etot -8.7978E+01 mv 1 45 117 -113 0 + 4 e 311 381 etot -8.7444E+01 mv 1 45 61 56 0 + 4 e 194 385 etot -8.7717E+01 mv 1 45 61 -164 0 + 4 e 306 382 etot -8.8082E+01 mv 1 45 61 157 0 + 4 e 457 358 etot -7.9404E+01 mv 1 45 199 -94 0 + 4 e 368 377 etot -7.9684E+01 mv 1 45 101 21 0 + 4 e 681 357 etot -8.6316E+01 mv 1 45 199 -145 0 c 199 218.2 0.2 + 4 e 120 402 etot -8.9595E+01 mv 0 45 27 0 0 c 27 1.2 0.0 + 4 e 14 413 etot -8.6929E+01 mv 0 45 163 0 0 + 4 e 15 416 etot -8.9028E+01 mv 0 45 101 0 0 c 101 0.0 0.0 +## N0 total= 18 close= 14 far= 0 %acc 77.8 +## N1 total= 102 close= 5 far= 0 %acc 4.9 +## N2 total= 100 close= 6 far= 0 %acc 6.0 +## N3 total= 0 close= 0 far= 0 %acc 0.0 +## N4 total= 0 close= 0 far= 0 %acc 0.0 +## N5 total= 0 close= 0 far= 0 %acc 0.0 +## N6 total= 200 close= 16 far= 3 %acc 9.5 +## N7 total= 0 close= 0 far= 0 %acc 0.0 +## N8 total= 0 close= 0 far= 0 %acc 0.0 +## N9 total= 0 close= 0 far= 0 %acc 0.0 +##N10 total= 0 close= 0 far= 0 %acc 0.0 +##N11 total= 0 close= 0 far= 0 %acc 0.0 +##N12 total= 0 close= 0 far= 0 %acc 0.0 +##N13 total= 0 close= 0 far= 0 %acc 0.0 +##N14 total= 0 close= 0 far= 0 %acc 0.0 +##N15 total= 0 close= 0 far= 0 %acc 0.0 +##N16 total= 0 close= 0 far= 0 %acc 0.0 +##N17 total= 0 close= 0 far= 0 %acc 0.0 +##N18 total= 0 close= 0 far= 0 %acc 0.0 + Time for refresh 46 0.52 + make_var : nseed= 20 ntry= 420 + Time for make trial 47 0.16 +Nonsetup time 100.23 sec, Eval/s = 57285.68 +Time for iter 47 2.23 sec, Eval/s = 53064.95 + UPDATING 420 + 4 e 30 418 etot -8.7978E+01 mv 0 45 117 0 0 c 117 0.1 0.0 + 4 e 295 396 etot -8.4501E+01 mv 1 45 193 182 0 + 4 e 17 417 etot -8.8083E+01 mv 0 45 61 0 0 c 61 0.0 0.0 + 4 e 385 383 etot -8.3618E+01 mv 1 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etot -6.1555E+01 mv 6 46 198 107 0 + -1 e 1 169 etot 1.3528E+20 mv 6 46 199 170 0 + 4 e 371 118 etot -8.6018E+01 mv 6 46 140 142 0 + 4 e 257 145 etot -7.2791E+01 mv 6 46 185 20 0 + -1 e 1 173 etot 1.3528E+20 mv 6 46 200 52 0 + 4 e 131 142 etot -7.3776E+01 mv 6 46 185 170 0 + 4 e 218 149 etot -7.4366E+01 mv 6 46 185 191 0 + 4 e 391 137 etot -8.5612E+01 mv 6 46 163 55 0 c 185 86.1 0.4 + 4 e 100 157 etot -8.4587E+01 mv 6 46 198 69 0 c 69 0.8 0.0 + 4 e 257 140 etot -7.6307E+01 mv 6 46 163 114 0 + -1 e 1 179 etot 1.3528E+20 mv 6 46 200 130 0 + 4 e 446 136 etot -8.2474E+01 mv 6 46 163 117 0 + 4 e 580 126 etot -8.3317E+01 mv 6 46 153 43 0 + 4 e 491 115 etot -7.3905E+01 mv 6 46 140 70 0 + 4 e 398 133 etot -8.2552E+01 mv 6 46 163 24 0 + 4 e 260 153 etot -8.9126E+01 mv 6 46 198 72 0 + 4 e 250 143 etot -8.3544E+01 mv 6 46 185 111 0 + 4 e 302 151 etot -6.9625E+01 mv 6 46 198 60 0 + 4 e 242 159 etot -8.8978E+01 mv 6 46 198 125 0 c 115 85.2 0.3 + 4 e 83 182 etot -8.8343E+01 mv 6 46 135 10 0 + 4 e 281 158 etot -8.1495E+01 mv 6 46 198 23 0 + 4 e 511 141 etot -8.3478E+01 mv 6 46 185 157 0 + -1 e 1 191 etot 1.3528E+20 mv 6 46 142 199 0 + 4 e 502 139 etot -8.3732E+01 mv 6 46 163 161 0 + 4 e 263 123 etot -7.3549E+01 mv 6 46 153 127 0 + 4 e 325 161 etot -8.6289E+01 mv 6 46 199 130 0 + 4 e 66 190 etot -8.6939E+01 mv 6 46 135 64 0 c 64 0.3 0.0 + 4 e 146 185 etot -8.8267E+01 mv 6 46 135 120 0 + 4 e 397 155 etot -8.9125E+01 mv 6 46 198 86 0 + 4 e 228 176 etot -8.3819E+01 mv 6 46 200 106 0 + -1 e 1 199 etot 1.3528E+20 mv 6 46 142 7 0 + 4 e 158 178 etot -7.3271E+01 mv 6 46 200 128 0 + 4 e 283 174 etot -9.0287E+01 mv 6 46 200 17 0 + 4 e 331 163 etot -8.0657E+01 mv 6 46 199 193 0 + 4 e 239 150 etot -8.6477E+01 mv 6 46 185 30 0 + -1 e 1 204 etot 1.3528E+20 mv 2 46 2 -66 0 + 4 e 383 166 etot -8.3921E+01 mv 6 46 199 159 0 + 4 e 277 160 etot -8.0945E+01 mv 6 46 198 199 0 + 4 e 424 164 etot -8.0211E+01 mv 6 46 199 87 0 + 4 e 304 187 etot -8.8037E+01 mv 6 46 135 84 0 + -1 e 1 209 etot 1.3528E+20 mv 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178 393 etot -8.4431E+01 mv 1 46 135 101 0 + 4 e 86 406 etot -8.4101E+01 mv 0 46 75 0 0 c 75 0.7 0.0 + 4 e 103 405 etot -8.6820E+01 mv 0 46 73 0 0 c 66 209.7 0.4 + 4 e 68 408 etot -8.6355E+01 mv 0 46 83 0 0 c 83 0.8 0.0 + 4 e 99 402 etot -8.8026E+01 mv 0 46 9 0 0 + 4 e 128 398 etot -8.8225E+01 mv 1 46 142 128 0 + 4 e 431 378 etot -7.8235E+01 mv 1 46 198 -51 0 + 4 e 110 404 etot -8.5671E+01 mv 0 46 71 0 0 + 4 e 168 401 etot -8.4222E+01 mv 0 46 2 0 0 +## N0 total= 21 close= 11 far= 0 %acc 52.4 +## N1 total= 99 close= 8 far= 0 %acc 8.1 +## N2 total= 100 close= 7 far= 1 %acc 8.0 +## N3 total= 0 close= 0 far= 0 %acc 0.0 +## N4 total= 0 close= 0 far= 0 %acc 0.0 +## N5 total= 0 close= 0 far= 0 %acc 0.0 +## N6 total= 200 close= 18 far= 0 %acc 9.0 +## N7 total= 0 close= 0 far= 0 %acc 0.0 +## N8 total= 0 close= 0 far= 0 %acc 0.0 +## N9 total= 0 close= 0 far= 0 %acc 0.0 +##N10 total= 0 close= 0 far= 0 %acc 0.0 +##N11 total= 0 close= 0 far= 0 %acc 0.0 +##N12 total= 0 close= 0 far= 0 %acc 0.0 +##N13 total= 0 close= 0 far= 0 %acc 0.0 +##N14 total= 0 close= 0 far= 0 %acc 0.0 +##N15 total= 0 close= 0 far= 0 %acc 0.0 +##N16 total= 0 close= 0 far= 0 %acc 0.0 +##N17 total= 0 close= 0 far= 0 %acc 0.0 +##N18 total= 0 close= 0 far= 0 %acc 0.0 + Time for refresh 47 0.77 + make_var : nseed= 20 ntry= 420 + Time for make trial 48 0.50 +Nonsetup time 103.33 sec, Eval/s = 56723.22 +Time for iter 48 3.10 sec, Eval/s = 38547.35 + UPDATING 420 + 4 e 158 411 etot -8.8438E+01 mv 0 46 123 0 0 c 123 3.2 0.0 + 4 e 102 413 etot -8.4035E+01 mv 0 46 153 0 0 + 4 e 582 392 etot -8.6936E+01 mv 1 46 135 83 0 + 4 e 556 366 etot -6.8516E+01 mv 1 46 163 -186 0 + 4 e 340 387 etot -7.1383E+01 mv 1 46 200 122 0 + 4 e 42 418 etot -8.3820E+01 mv 0 46 200 0 0 c 200 0.1 0.0 + 4 e 491 359 etot -8.7470E+01 mv 1 46 140 -59 0 + 4 e 345 389 etot -8.3818E+01 mv 1 46 200 54 0 + 4 e 109 415 etot -8.5171E+01 mv 0 46 185 0 0 + 4 e 340 407 etot -9.2233E+01 mv 0 46 82 0 0 + -1 e 1 1 etot 1.0582E+25 mv 6 47 2 172 0 + 4 e 263 396 etot -8.7425E+01 mv 1 46 142 132 0 + 4 e 320 395 etot -8.8557E+01 mv 1 46 135 -153 0 + 4 e 140 412 etot -8.6041E+01 mv 0 46 140 0 0 + 4 e 76 414 etot -8.7037E+01 mv 0 46 163 0 0 c 163 1.0 0.0 + 4 e 14 420 etot -8.8225E+01 mv 0 46 142 0 0 c 142 0.0 0.0 + 4 e 38 419 etot -8.8558E+01 mv 0 46 135 0 0 c 135 0.1 0.0 + -1 e 1 9 etot 1.3528E+20 mv 6 47 2 22 0 + 4 e 289 397 etot -8.7350E+01 mv 1 46 142 90 0 + 4 e 287 400 etot -8.8224E+01 mv 1 46 142 20 0 + 4 e 144 410 etot -8.7402E+01 mv 0 46 89 0 0 c 89 1.5 0.0 + 4 e 379 383 etot -7.6910E+01 mv 1 46 199 -101 0 + 4 e 248 391 etot -8.8557E+01 mv 1 46 135 160 0 + 4 e 122 416 etot -8.9543E+01 mv 0 46 198 0 0 c 198 0.7 0.0 + 4 e 153 403 etot -8.4363E+01 mv 0 46 55 0 0 c 55 1.1 0.0 + 4 e 420 372 etot -8.4610E+01 mv 1 46 185 -22 0 + 4 e 400 373 etot -7.7163E+01 mv 1 46 185 -84 0 + 4 e 314 385 etot -8.6317E+01 mv 1 46 199 -189 0 + 4 e 265 390 etot -8.3819E+01 mv 1 46 200 198 0 + 4 e 626 386 etot -7.9645E+01 mv 1 46 200 -171 0 + 4 e 380 379 etot 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498 29 etot -7.4287E+01 mv 6 47 17 52 0 + 4 e 236 25 etot -9.2233E+01 mv 6 47 17 82 0 + 4 e 368 41 etot -8.5566E+01 mv 6 47 71 93 0 + 4 e 279 47 etot -7.7602E+01 mv 6 47 71 10 0 + 4 e 509 7 etot -7.7818E+01 mv 6 47 2 130 0 + 4 e 47 66 etot -8.9126E+01 mv 6 47 73 77 0 c 77 0.2 0.0 + 4 e 228 52 etot -8.6165E+01 mv 6 47 72 71 0 c 71 256.7 0.3 + 4 e 641 19 etot -8.6717E+01 mv 6 47 9 155 0 + 4 e 203 55 etot -8.4477E+01 mv 6 47 72 116 0 c 72 4.9 0.0 + 4 e 270 22 etot -9.2233E+01 mv 6 47 17 7 0 + 4 e 178 57 etot -8.4478E+01 mv 6 47 72 175 0 c 72 3.5 0.0 + 4 e 17 78 etot -8.4634E+01 mv 6 47 115 5 0 c 5 0.0 0.0 + 4 e 260 59 etot -7.8501E+01 mv 6 47 72 57 0 + 4 e 289 31 etot -8.4867E+01 mv 6 47 66 40 0 + 4 e 398 43 etot -8.4658E+01 mv 6 47 71 95 0 f 200 279.1 0.8 + 4 e 251 60 etot -8.4169E+01 mv 6 47 72 69 0 + 4 e 321 58 etot -8.1437E+01 mv 6 47 72 89 0 + 4 e 303 53 etot -8.0977E+01 mv 6 47 72 88 0 + 4 e 274 71 etot -6.7837E+01 mv 6 47 115 63 0 + 4 e 130 81 etot -6.5646E+01 mv 6 47 117 65 0 + 4 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138 etot -6.9838E+01 mv 6 47 64 75 0 + 4 e 333 115 etot -8.4357E+01 mv 6 47 153 159 0 + 4 e 319 127 etot -8.5258E+01 mv 6 47 185 98 0 + 4 e 215 132 etot -8.3821E+01 mv 6 47 64 33 0 + -1 e 1 156 etot 1.3528E+20 mv 6 47 101 55 0 + 4 e 208 133 etot -7.5990E+01 mv 6 47 64 127 0 + 4 e 391 103 etot -8.4181E+01 mv 6 47 147 115 0 + 4 e 347 129 etot -8.5262E+01 mv 6 47 185 50 0 + 4 e 227 137 etot -7.6674E+01 mv 6 47 64 177 0 + 4 e 370 74 etot -8.2409E+01 mv 6 47 115 140 0 + 4 e 260 139 etot -7.2902E+01 mv 6 47 64 81 0 + 4 e 265 136 etot -8.3910E+01 mv 6 47 64 112 0 + -1 e 1 164 etot 1.3528E+20 mv 6 47 13 33 0 + 4 e 317 86 etot -8.1716E+01 mv 6 47 117 176 0 + 4 e 217 146 etot -8.9075E+01 mv 6 47 37 161 0 + 4 e 214 112 etot -8.4438E+01 mv 6 47 153 154 0 c 153 8.3 0.1 + 4 e 321 135 etot -7.8986E+01 mv 6 47 64 43 0 + 4 e 330 143 etot -7.8226E+01 mv 6 47 37 136 0 + 4 e 377 140 etot -8.0726E+01 mv 6 47 64 62 0 + 4 e 141 163 etot -6.9474E+01 mv 6 47 13 72 0 + 4 e 191 161 etot -6.8867E+01 mv 6 47 13 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-5.6495E+01 mv 2 47 9 -189 0 + 4 e 398 195 etot -8.2886E+01 mv 6 47 142 61 0 + 4 e 548 94 etot -8.9236E+01 mv 6 47 140 73 0 + 4 e 555 220 etot -8.6244E+01 mv 2 47 66 -19 0 + 4 e 454 194 etot -7.0433E+01 mv 6 47 142 155 0 + 4 e 363 124 etot -8.5613E+01 mv 6 47 185 167 0 c 185 3.5 0.0 + -1 e 1 258 etot 1.3528E+20 mv 2 47 153 -67 0 + -1 e 1 229 etot 1.3528E+20 mv 2 47 72 -115 0 + 4 e 586 224 etot -7.6482E+01 mv 2 47 71 -140 0 + -1 e 1 264 etot 1.3528E+20 mv 2 47 185 -179 0 + 4 e 113 265 etot -7.8276E+01 mv 2 47 185 -1 0 + 4 e 202 246 etot -7.4633E+01 mv 2 47 140 -107 0 + 4 e 142 256 etot -8.4358E+01 mv 2 47 153 -50 0 + 4 e 161 260 etot -8.4358E+01 mv 2 47 153 -108 0 + 4 e 242 232 etot -6.0557E+01 mv 2 47 73 -149 0 + 4 e 169 261 etot -8.5614E+01 mv 2 47 185 -27 0 c 185 2.3 0.0 + 4 e 245 241 etot -7.7417E+01 mv 2 47 117 -148 0 + 4 e 234 243 etot -7.3901E+01 mv 2 47 117 -133 0 + 4 e 247 231 etot -8.1829E+01 mv 2 47 73 -3 0 + 4 e 247 262 etot -6.7645E+01 mv 2 47 185 -179 0 + 4 e 259 251 etot 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1.3528E+20 mv 2 47 135 183 0 + 4 e 291 270 etot -8.6939E+01 mv 2 47 64 14 0 + 4 e 174 283 etot -8.8728E+01 mv 2 47 13 182 0 + 4 e 452 255 etot -7.6514E+01 mv 2 47 147 -30 0 + 4 e 306 267 etot -7.8747E+01 mv 2 47 64 164 0 + 4 e 462 252 etot -5.7705E+01 mv 2 47 147 -129 0 + 4 e 506 236 etot -7.7886E+01 mv 2 47 115 -43 0 + 4 e 300 269 etot -6.8779E+01 mv 2 47 64 -35 0 + 4 e 272 272 etot -8.6365E+01 mv 2 47 37 36 0 + 4 e 172 281 etot -8.8728E+01 mv 2 47 13 140 0 + 4 e 522 250 etot -8.6529E+01 mv 2 47 140 -152 0 + 4 e 218 278 etot -8.9027E+01 mv 2 47 101 149 0 + 4 e 389 266 etot -8.6937E+01 mv 2 47 64 -168 0 + 4 e 310 282 etot -8.8727E+01 mv 2 47 13 156 0 + 4 e 293 276 etot -8.6397E+01 mv 2 47 101 -36 0 + 4 e 222 284 etot -8.5654E+01 mv 2 47 13 -173 0 + 4 e 230 292 etot -8.9698E+01 mv 2 47 135 -52 0 + 4 e 194 294 etot -8.8267E+01 mv 2 47 135 142 0 + 4 e 264 279 etot -6.9224E+01 mv 2 47 101 -97 0 + 4 e 259 291 etot -7.4240E+01 mv 2 47 135 150 0 + 4 e 154 299 etot -6.9880E+01 mv 2 47 142 -100 0 + 4 e 352 275 etot -8.9074E+01 mv 2 47 37 184 0 + 4 e 544 274 etot -7.2379E+01 mv 2 47 37 196 0 + 4 e 262 285 etot -8.8728E+01 mv 2 47 13 -114 0 + 4 e 192 301 etot -8.4372E+01 mv 1 47 2 -34 0 + 4 e 258 293 etot -8.8557E+01 mv 2 47 135 -145 0 + 4 e 340 298 etot -8.8224E+01 mv 2 47 142 -108 0 + 4 e 314 288 etot -8.6627E+01 mv 2 47 65 -191 0 + 4 e 476 286 etot -8.9186E+01 mv 2 47 65 -189 0 + 4 e 231 303 etot -7.3205E+01 mv 1 47 2 -4 0 + 4 e 341 297 etot -8.7416E+01 mv 2 47 142 117 0 + 4 e 456 280 etot -7.9443E+01 mv 2 47 101 -130 0 + 4 e 291 304 etot -8.4372E+01 mv 1 47 2 -154 0 + 4 e 311 300 etot -8.7417E+01 mv 2 47 142 160 0 + 4 e 223 306 etot -8.8903E+01 mv 1 47 9 -195 0 + 4 e 133 319 etot -5.6078E+01 mv 1 47 66 -185 0 + 4 e 459 289 etot -8.7307E+01 mv 2 47 65 34 0 + 4 e 431 302 etot -7.7989E+01 mv 1 47 2 -153 0 + 4 e 249 315 etot -9.2490E+01 mv 1 47 17 -160 0 + -1 e 1 334 etot 1.3528E+20 mv 1 47 73 -182 0 + 4 e 303 313 etot -8.9844E+01 mv 1 47 17 -171 0 + 4 e 356 296 etot 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184 345 etot -8.8173E+01 mv 1 47 117 -123 0 + -1 e 1 358 etot 1.3528E+20 mv 1 47 153 -8 0 + 4 e 352 336 etot -8.9061E+01 mv 1 47 115 -155 0 + 4 e 220 346 etot -8.3690E+01 mv 1 47 140 -137 0 + 4 e 275 330 etot -8.4478E+01 mv 1 47 72 -111 0 + 4 e 620 314 etot -7.7818E+01 mv 1 47 17 -189 0 + 4 e 425 317 etot -7.2943E+01 mv 1 47 66 -177 0 + 4 e 375 339 etot -7.8782E+01 mv 1 47 115 -174 0 + 4 e 494 328 etot -6.7921E+01 mv 1 47 72 -168 0 + 4 e 386 320 etot -8.6960E+01 mv 1 47 66 -67 0 c 66 84.7 0.1 + 4 e 236 341 etot -8.8172E+01 mv 1 47 117 -154 0 + 4 e 486 333 etot -8.8512E+01 mv 1 47 73 -64 0 + 4 e 193 352 etot -6.2764E+01 mv 1 47 147 -31 0 + 4 e 389 342 etot -7.4087E+01 mv 1 47 117 -86 0 + 4 e 324 350 etot -8.7482E+01 mv 1 47 140 -78 0 c 140 3.6 0.0 + 4 e 214 357 etot -7.3116E+01 mv 1 47 153 -134 0 + 4 e 556 332 etot -7.5364E+01 mv 1 47 73 -133 0 + 4 e 306 351 etot -8.5414E+01 mv 1 47 147 -157 0 + 4 e 264 355 etot -8.5414E+01 mv 1 47 147 -12 0 + 4 e 366 337 etot -7.4819E+01 mv 1 47 115 -78 0 + 4 e 350 349 etot -6.8886E+01 mv 1 47 140 -188 0 + 4 e 393 348 etot -8.3273E+01 mv 1 47 140 -5 0 + 4 e 304 354 etot -6.8577E+01 mv 1 47 147 -198 0 + 4 e 616 308 etot -7.7101E+01 mv 1 47 9 -187 0 + 4 e 190 366 etot -8.6939E+01 mv 1 47 64 125 0 + 4 e 210 356 etot -8.4669E+01 mv 1 47 153 -63 0 c 153 35.8 0.2 + 4 e 388 340 etot -8.4431E+01 mv 1 47 115 -142 0 f 156 297.6 0.6 + -1 e 1 384 etot 1.3528E+20 mv 1 47 13 190 0 + 4 e 220 363 etot -8.5614E+01 mv 1 47 185 -10 0 + 4 e 499 323 etot -7.5032E+01 mv 1 47 71 -82 0 + 4 e 690 329 etot -6.6665E+01 mv 1 47 72 -138 0 + 4 e 615 335 etot -8.2084E+01 mv 1 47 73 -160 0 + 4 e 260 361 etot -8.5317E+01 mv 1 47 185 -140 0 + -1 e 1 390 etot 1.3528E+20 mv 1 47 65 -185 0 + 4 e 273 360 etot -8.2990E+01 mv 1 47 153 -175 0 + 4 e 235 365 etot -8.5317E+01 mv 1 47 185 -157 0 + 4 e 506 347 etot -7.6041E+01 mv 1 47 140 -170 0 + 4 e 542 325 etot -8.3328E+01 mv 1 47 71 -60 0 + 4 e 163 375 etot -8.9075E+01 mv 1 47 37 -31 0 + 4 e 387 344 etot -8.6668E+01 mv 1 47 117 -12 0 + 4 e 188 373 etot -8.8763E+01 mv 1 47 37 -101 0 + 4 e 205 368 etot -8.6939E+01 mv 1 47 64 154 0 + 4 e 257 374 etot -8.9075E+01 mv 1 47 37 148 0 + 4 e 465 359 etot -7.3590E+01 mv 1 47 153 -7 0 + 4 e 234 380 etot -8.9027E+01 mv 1 47 101 121 0 + 4 e 156 394 etot -8.8558E+01 mv 1 47 135 38 0 + 4 e 313 362 etot -6.8516E+01 mv 1 47 185 -173 0 + 4 e 230 382 etot -8.8728E+01 mv 1 47 13 17 0 + 4 e 212 377 etot -7.1152E+01 mv 1 47 101 139 0 + 4 e 175 387 etot -6.7785E+01 mv 1 47 65 -139 0 + 4 e 213 393 etot -8.8557E+01 mv 1 47 135 30 0 + 4 e 71 401 etot -8.4372E+01 mv 0 47 2 0 0 + 4 e 84 402 etot -8.9009E+01 mv 0 47 9 0 0 c 9 1.0 0.0 + 4 e 271 388 etot -8.9188E+01 mv 1 47 65 -55 0 + 4 e 44 404 etot -8.6820E+01 mv 0 47 66 0 0 + 4 e 365 376 etot -7.8074E+01 mv 1 47 101 -115 0 + 4 e 269 370 etot -8.6938E+01 mv 1 47 64 -176 0 + 4 e 373 372 etot -7.7445E+01 mv 1 47 37 -66 0 + 4 e 74 405 etot -8.5860E+01 mv 0 47 71 0 0 c 168 0.3 0.0 + 4 e 11 416 etot -8.9028E+01 mv 0 47 101 0 0 c 101 0.0 0.0 + 4 e 106 403 etot -9.2490E+01 mv 0 47 17 0 0 c 17 0.8 0.0 + 4 e 68 418 etot -8.9188E+01 mv 0 47 65 0 0 c 65 0.3 0.0 + 4 e 504 379 etot -7.8885E+01 mv 1 47 101 108 0 +## N0 total= 21 close= 15 far= 0 %acc 71.4 +## N1 total= 99 close= 3 far= 1 %acc 4.0 +## N2 total= 100 close= 4 far= 0 %acc 4.0 +## N3 total= 0 close= 0 far= 0 %acc 0.0 +## N4 total= 0 close= 0 far= 0 %acc 0.0 +## N5 total= 0 close= 0 far= 0 %acc 0.0 +## N6 total= 200 close= 21 far= 4 %acc 12.5 +## N7 total= 0 close= 0 far= 0 %acc 0.0 +## N8 total= 0 close= 0 far= 0 %acc 0.0 +## N9 total= 0 close= 0 far= 0 %acc 0.0 +##N10 total= 0 close= 0 far= 0 %acc 0.0 +##N11 total= 0 close= 0 far= 0 %acc 0.0 +##N12 total= 0 close= 0 far= 0 %acc 0.0 +##N13 total= 0 close= 0 far= 0 %acc 0.0 +##N14 total= 0 close= 0 far= 0 %acc 0.0 +##N15 total= 0 close= 0 far= 0 %acc 0.0 +##N16 total= 0 close= 0 far= 0 %acc 0.0 +##N17 total= 0 close= 0 far= 0 %acc 0.0 +##N18 total= 0 close= 0 far= 0 %acc 0.0 + Time for refresh 48 0.34 + make_var : nseed= 20 ntry= 420 + Time for make trial 49 0.13 +Nonsetup time 105.33 sec, Eval/s = 56799.03 +Time for iter 49 2.00 sec, Eval/s = 60707.93 + UPDATING 420 + 4 e 38 419 etot -8.8558E+01 mv 0 47 135 0 0 + 4 e 14 420 etot -8.8225E+01 mv 0 47 142 0 0 + 4 e 298 398 etot -6.7697E+01 mv 1 47 142 76 0 + 4 e 33 415 etot -8.9075E+01 mv 0 47 37 0 0 c 37 0.0 0.0 + 4 e 14 417 etot -8.8728E+01 mv 0 47 13 0 0 c 13 0.0 0.0 + 4 e 335 396 etot -8.4355E+01 mv 1 47 142 -144 0 + 4 e 369 389 etot -8.9150E+01 mv 1 47 65 89 0 + 4 e 513 369 etot -8.0800E+01 mv 1 47 64 110 0 + -1 e 1 1 etot 1.3528E+20 mv 6 48 2 15 0 + 4 e 358 391 etot -7.8765E+01 mv 1 47 135 -111 0 + 4 e 612 378 etot -8.2385E+01 mv 1 47 101 78 0 + 4 e 493 392 etot -8.1387E+01 mv 1 47 135 -66 0 + 4 e 153 410 etot -8.7482E+01 mv 0 47 140 0 0 c 140 1.9 0.0 + 4 e 449 371 etot -8.5908E+01 mv 1 47 37 65 0 + 4 e 570 386 etot -7.2028E+01 mv 1 47 65 109 0 + 4 e 107 409 etot -8.8173E+01 mv 0 47 117 0 0 c 117 0.9 0.0 + 4 e 101 411 etot -8.5415E+01 mv 0 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-8.4879E+01 mv 1 48 112 -64 0 + 4 e 372 321 etot -8.7647E+01 mv 1 48 73 -50 0 c 73 81.9 0.0 + -1 e 1 364 etot 1.3528E+20 mv 1 48 200 -181 0 + 4 e 518 322 etot -8.0972E+01 mv 1 48 73 -161 0 + 4 e 293 341 etot -8.4433E+01 mv 1 48 156 -142 0 + 4 e 422 332 etot -8.9061E+01 mv 1 48 115 -46 0 + 4 e 344 338 etot -8.4092E+01 mv 1 48 153 -147 0 + 4 e 232 340 etot -8.4358E+01 mv 1 48 153 -18 0 + 4 e 392 320 etot -8.4998E+01 mv 1 48 71 -35 0 + -1 e 1 371 etot 1.3528E+20 mv 1 48 68 -103 0 + 4 e 200 349 etot -8.2102E+01 mv 1 48 166 -182 0 + 4 e 322 342 etot -7.2035E+01 mv 1 48 156 -40 0 + 4 e 184 346 etot -8.2886E+01 mv 1 48 166 -27 0 + 4 e 586 324 etot -8.3516E+01 mv 1 48 73 -124 0 + 4 e 439 336 etot -8.2416E+01 mv 1 48 153 -48 0 + 4 e 279 348 etot -7.1792E+01 mv 1 48 166 -76 0 + 4 e 448 337 etot -8.3059E+01 mv 1 48 153 -84 0 + 4 e 120 368 etot -7.5882E+01 mv 1 48 195 80 0 + 4 e 308 344 etot -8.4432E+01 mv 1 48 156 -95 0 + 4 e 270 356 etot -8.2754E+01 mv 1 48 189 -150 0 + -1 e 1 382 etot 1.3528E+20 mv 1 48 197 -15 0 + 4 e 271 357 etot -6.9603E+01 mv 1 48 189 -165 0 + 4 e 286 347 etot -7.7499E+01 mv 1 48 166 -109 0 + 4 e 364 353 etot -6.4782E+01 mv 1 48 168 -1 0 + 4 e 253 366 etot -8.4547E+01 mv 1 48 195 152 0 + 4 e 271 361 etot -8.2082E+01 mv 1 48 200 -101 0 + 4 e 271 350 etot -8.5118E+01 mv 1 48 166 -153 0 + 4 e 284 362 etot -7.1922E+01 mv 1 48 200 -74 0 + 4 e 546 323 etot -8.6607E+01 mv 1 48 73 -103 0 + 4 e 242 358 etot -8.4027E+01 mv 1 48 189 -32 0 + 4 e 305 369 etot -8.4546E+01 mv 1 48 195 -130 0 + 4 e 384 345 etot -8.4260E+01 mv 1 48 156 -174 0 + 4 e 220 378 etot -8.9262E+01 mv 1 48 54 86 0 + -1 e 1 394 etot 1.3528E+20 mv 1 48 65 -104 0 + 4 e 210 370 etot -8.4249E+01 mv 1 48 195 97 0 + 4 e 253 376 etot -8.9262E+01 mv 1 48 54 180 0 + 4 e 391 359 etot -7.8438E+01 mv 1 48 189 -109 0 + -1 e 1 399 etot 1.3528E+20 mv 1 48 101 197 0 + 4 e 395 363 etot -8.4904E+01 mv 1 48 200 -199 0 + 4 e 250 380 etot -8.9262E+01 mv 1 48 54 31 0 + 4 e 258 379 etot -8.9262E+01 mv 1 48 54 135 0 + 4 e 385 367 etot -8.3389E+01 mv 1 48 195 -77 0 + 4 e 542 352 etot -6.6780E+01 mv 1 48 168 -49 0 + 4 e 214 383 etot -8.7540E+01 mv 1 48 197 -186 0 + 4 e 48 401 etot -8.4430E+01 mv 0 48 2 0 0 c 2 0.8 0.0 + 4 e 281 375 etot -8.9854E+01 mv 1 48 68 -1 0 + 4 e 99 405 etot -8.7606E+01 mv 0 48 73 0 0 + 4 e 314 372 etot -9.0797E+01 mv 1 48 68 -124 0 + 4 e 117 404 etot -8.6165E+01 mv 0 48 71 0 0 c 71 0.6 0.0 + 4 e 100 406 etot -8.5113E+01 mv 0 48 112 0 0 + 4 e 425 377 etot -6.9005E+01 mv 1 48 54 -53 0 + 4 e 141 402 etot -8.7211E+01 mv 0 48 62 0 0 + 4 e 17 411 etot -8.5860E+01 mv 0 48 168 0 0 c 168 0.0 0.0 + 4 e 136 403 etot -8.6962E+01 mv 0 48 66 0 0 c 100 59.9 0.6 + 4 e 626 355 etot -7.7328E+01 mv 1 48 168 -77 0 + 4 e 283 387 etot -8.9074E+01 mv 1 48 37 39 0 + 4 e 149 397 etot -7.1691E+01 mv 1 48 101 38 0 + 4 e 17 414 etot -8.4547E+01 mv 0 48 195 0 0 c 195 0.0 0.0 +## N0 total= 21 close= 13 far= 0 %acc 61.9 +## N1 total= 99 close= 5 far= 1 %acc 6.1 +## N2 total= 100 close= 6 far= 0 %acc 6.0 +## N3 total= 0 close= 0 far= 0 %acc 0.0 +## N4 total= 0 close= 0 far= 0 %acc 0.0 +## N5 total= 0 close= 0 far= 0 %acc 0.0 +## N6 total= 200 close= 17 far= 1 %acc 9.0 +## N7 total= 0 close= 0 far= 0 %acc 0.0 +## N8 total= 0 close= 0 far= 0 %acc 0.0 +## N9 total= 0 close= 0 far= 0 %acc 0.0 +##N10 total= 0 close= 0 far= 0 %acc 0.0 +##N11 total= 0 close= 0 far= 0 %acc 0.0 +##N12 total= 0 close= 0 far= 0 %acc 0.0 +##N13 total= 0 close= 0 far= 0 %acc 0.0 +##N14 total= 0 close= 0 far= 0 %acc 0.0 +##N15 total= 0 close= 0 far= 0 %acc 0.0 +##N16 total= 0 close= 0 far= 0 %acc 0.0 +##N17 total= 0 close= 0 far= 0 %acc 0.0 +##N18 total= 0 close= 0 far= 0 %acc 0.0 + Time for refresh 49 0.33 + make_var : nseed= 20 ntry= 420 + Time for make trial 50 0.10 +Nonsetup time 107.41 sec, Eval/s = 56926.66 +Time for iter 50 2.07 sec, Eval/s = 63407.97 + UPDATING 420 + 4 e 334 390 etot -8.9074E+01 mv 1 48 37 168 0 + 4 e 325 388 etot -8.8687E+01 mv 1 48 37 124 0 + 4 e 524 393 etot -8.9149E+01 mv 1 48 65 196 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343 etot -7.8465E+01 mv 1 48 156 -43 0 + 4 e 302 391 etot -8.8144E+01 mv 1 48 65 -149 0 + 4 e 263 381 etot -8.9187E+01 mv 1 48 197 -159 0 + 4 e 402 360 etot -7.0915E+01 mv 1 48 189 -86 0 + 4 e 276 392 etot -8.9188E+01 mv 1 48 65 196 0 + 4 e 413 385 etot -8.9186E+01 mv 1 48 197 195 0 + 4 e 490 365 etot -7.7919E+01 mv 1 48 200 -180 0 + 4 e 223 396 etot -8.7589E+01 mv 1 48 101 -126 0 + -1 e 1 24 etot 1.3528E+20 mv 6 49 73 78 0 + 4 e 94 410 etot -8.5118E+01 mv 0 48 166 0 0 + 4 e 15 419 etot -8.9188E+01 mv 0 48 65 0 0 + -1 e 1 27 etot 1.3528E+20 mv 6 49 73 110 0 + 4 e 22 5 etot -8.5444E+01 mv 6 49 24 56 0 c 56 0.0 0.0 + 4 e 137 2 etot -6.5514E+01 mv 6 49 24 12 0 + -1 e 1 36 etot 1.3528E+20 mv 6 49 100 154 0 + 4 e 211 34 etot -8.6766E+01 mv 6 49 100 72 0 + -1 e 1 38 etot 1.3528E+20 mv 6 49 100 77 0 + 4 e 210 25 etot -8.3999E+01 mv 6 49 73 79 0 + 4 e 219 35 etot -8.6661E+01 mv 6 49 100 105 0 + -1 e 1 41 etot 1.3528E+20 mv 6 49 112 154 0 + 4 e 242 4 etot -7.7781E+01 mv 6 49 24 1 0 + 4 e 246 19 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432 55 etot -8.4940E+01 mv 6 49 123 36 0 + 4 e 116 79 etot -8.4895E+01 mv 6 49 164 88 0 + 4 e 249 65 etot -8.4659E+01 mv 6 49 156 147 0 c 156 4.5 0.0 + 4 e 286 60 etot -8.5100E+01 mv 6 49 123 128 0 + 4 e 237 66 etot -7.7209E+01 mv 6 49 156 38 0 + 4 e 18 87 etot -8.9161E+01 mv 6 49 165 174 0 c 174 0.0 0.0 + 4 e 387 47 etot -8.4159E+01 mv 6 49 112 75 0 c 75 180.5 0.1 + -1 e 1 91 etot 1.3528E+20 mv 6 49 166 23 0 + -1 e 1 92 etot 1.3528E+20 mv 6 49 166 48 0 + 4 e 482 57 etot -8.7957E+01 mv 6 49 123 95 0 + 4 e 306 63 etot -7.8446E+01 mv 6 49 156 120 0 + 4 e 483 43 etot -8.2191E+01 mv 6 49 112 129 0 + 4 e 287 67 etot -8.4659E+01 mv 6 49 156 151 0 c 156 2.6 0.0 + 4 e 343 69 etot -8.4495E+01 mv 6 49 156 105 0 + 4 e 297 73 etot -8.5469E+01 mv 6 49 164 111 0 c 164 78.3 0.2 + 4 e 389 48 etot -7.9857E+01 mv 6 49 112 106 0 + 4 e 189 84 etot -8.4975E+01 mv 6 49 165 179 0 c 165 3.3 0.0 + -1 e 1 101 etot 1.3528E+20 mv 6 49 189 47 0 + 4 e 522 62 etot -8.8148E+01 mv 6 49 156 77 0 + 4 e 499 58 etot -8.1512E+01 mv 6 49 123 141 0 + 4 e 368 77 etot -7.8368E+01 mv 6 49 164 121 0 + -1 e 1 105 etot 1.3528E+20 mv 6 49 189 72 0 + 4 e 326 78 etot -8.6515E+01 mv 6 49 164 102 0 + 4 e 196 94 etot -8.4887E+01 mv 6 49 166 119 0 + 4 e 248 85 etot -8.4975E+01 mv 6 49 165 137 0 + 4 e 617 39 etot -7.9570E+01 mv 6 49 100 178 0 + 4 e 646 50 etot -8.4099E+01 mv 6 49 112 173 0 + 4 e 533 72 etot -7.8142E+01 mv 6 49 164 106 0 + 4 e 292 88 etot -8.4170E+01 mv 6 49 165 124 0 + 4 e 87 108 etot -8.9126E+01 mv 6 49 189 77 0 c 77 0.2 0.0 + 4 e 312 90 etot -8.4431E+01 mv 6 49 165 134 0 + 4 e 371 83 etot -8.0474E+01 mv 6 49 165 34 0 + -1 e 1 116 etot 1.3528E+20 mv 6 49 198 51 0 + 4 e 383 81 etot -7.2974E+01 mv 6 49 165 162 0 + 4 e 213 89 etot -8.3110E+01 mv 6 49 165 82 0 + 4 e 231 103 etot -8.3876E+01 mv 6 49 189 148 0 + 4 e 334 95 etot -9.0276E+01 mv 6 49 166 55 0 c 198 110.8 0.2 + 4 e 301 99 etot -8.5804E+01 mv 6 49 166 73 0 c 166 130.4 0.6 + 4 e 362 96 etot -8.5168E+01 mv 6 49 166 193 0 + 4 e 286 82 etot 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128 etot -8.5518E+01 mv 6 49 200 106 0 c 200 31.2 0.1 + 4 e 315 117 etot -7.5337E+01 mv 6 49 198 96 0 + 4 e 270 120 etot -9.0286E+01 mv 6 49 198 61 0 c 198 43.7 0.0 + 4 e 373 112 etot -8.3556E+01 mv 6 49 198 39 0 + 4 e 472 93 etot -6.8463E+01 mv 6 49 166 160 0 + 4 e 340 122 etot -8.5544E+01 mv 6 49 200 163 0 c 200 43.9 0.0 + 4 e 130 141 etot -8.9248E+01 mv 6 49 42 197 0 + 4 e 393 100 etot -8.0157E+01 mv 6 49 166 48 0 + 4 e 279 135 etot -8.8873E+01 mv 6 49 123 70 0 c 123 3.9 0.0 + 4 e 340 131 etot -8.7150E+01 mv 6 49 123 59 0 c 158 171.6 0.2 + 4 e 166 143 etot -8.9248E+01 mv 6 49 42 43 0 + 4 e 497 45 etot -7.5692E+01 mv 6 49 112 80 0 + 4 e 525 97 etot -8.0806E+01 mv 6 49 166 3 0 + 4 e 482 126 etot -7.4447E+01 mv 6 49 200 23 0 + 4 e 238 144 etot -8.4146E+01 mv 6 49 42 145 0 + 4 e 433 130 etot -8.8062E+01 mv 6 49 200 104 0 + 4 e 169 149 etot -8.6830E+01 mv 6 49 42 108 0 + 4 e 473 129 etot -9.0082E+01 mv 6 49 200 50 0 + 4 e 513 123 etot -7.6002E+01 mv 6 49 200 12 0 + 4 e 492 127 etot -8.0966E+01 mv 6 49 200 91 0 + 4 e 294 142 etot -8.9247E+01 mv 6 49 42 52 0 + -1 e 1 163 etot 1.3528E+20 mv 6 49 197 166 0 + -1 e 1 164 etot 1.3528E+20 mv 6 49 197 41 0 + 4 e 341 140 etot -8.6082E+01 mv 6 49 123 112 0 + 4 e 297 132 etot -8.8872E+01 mv 6 49 123 194 0 + 4 e 368 119 etot -8.4469E+01 mv 6 49 198 113 0 + 4 e 678 114 etot -7.9361E+01 mv 6 49 198 5 0 + 4 e 384 124 etot -8.5517E+01 mv 6 49 200 72 0 + 4 e 627 125 etot -7.6578E+01 mv 6 49 200 189 0 + 4 e 515 138 etot -9.2232E+01 mv 6 49 123 136 0 + 4 e 286 154 etot -8.9150E+01 mv 6 49 65 40 0 + 4 e 368 134 etot -7.5951E+01 mv 6 49 123 158 0 + 4 e 392 150 etot -8.6570E+01 mv 6 49 42 35 0 + 4 e 228 162 etot -7.4036E+01 mv 6 49 197 34 0 + 4 e 260 158 etot -7.8734E+01 mv 6 49 65 52 0 + 4 e 432 133 etot -8.7715E+01 mv 6 49 123 67 0 c 126 197.9 1.4 + 4 e 483 145 etot -8.9412E+01 mv 6 49 42 64 0 + -1 e 1 179 etot 1.3528E+20 mv 6 49 101 192 0 + 4 e 266 166 etot -7.5351E+01 mv 6 49 197 92 0 + 4 e 250 156 etot -8.9150E+01 mv 6 49 65 149 0 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329 etot -7.7978E+01 mv 1 49 123 -76 0 + 4 e 294 334 etot -8.5343E+01 mv 1 49 156 -116 0 c 156 3.0 0.0 + 4 e 291 335 etot -8.4659E+01 mv 1 49 156 -193 0 + 4 e 393 338 etot -8.4117E+01 mv 1 49 164 -70 0 + 4 e 309 343 etot -7.2312E+01 mv 1 49 165 -93 0 + 4 e 295 346 etot -8.5488E+01 mv 1 49 166 -191 0 + 4 e 331 333 etot -8.4659E+01 mv 1 49 156 -7 0 + 4 e 519 317 etot -8.4803E+01 mv 1 49 100 -5 0 + 4 e 463 337 etot -8.2482E+01 mv 1 49 164 -128 0 + 4 e 212 354 etot -8.3264E+01 mv 1 49 189 -19 0 + 4 e 341 340 etot -8.2475E+01 mv 1 49 164 -38 0 + 4 e 228 359 etot -8.9786E+01 mv 1 49 198 -86 0 + 4 e 388 348 etot -7.7568E+01 mv 1 49 166 -102 0 + 4 e 254 360 etot -9.0096E+01 mv 1 49 198 -139 0 + 4 e 194 365 etot -8.5517E+01 mv 1 49 200 -106 0 + 4 e 215 356 etot -9.0095E+01 mv 1 49 198 -167 0 + 4 e 247 355 etot -8.4708E+01 mv 1 49 189 -135 0 + 4 e 267 362 etot -8.5739E+01 mv 1 49 200 -137 0 c 200 137.7 0.2 + 4 e 415 351 etot -7.3171E+01 mv 1 49 189 -55 0 + 4 e 465 347 etot -7.9835E+01 mv 1 49 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-8.8558E+01 mv 1 49 135 21 0 + 4 e 588 363 etot -8.3959E+01 mv 1 49 200 -199 0 + 4 e 537 369 etot -8.1893E+01 mv 1 49 123 -130 0 + 4 e 269 388 etot -8.9027E+01 mv 1 49 101 55 0 + 4 e 387 383 etot -7.3193E+01 mv 1 49 197 -120 0 + 4 e 95 401 etot -8.3987E+01 mv 0 49 24 0 0 c 24 0.8 0.0 + 4 e 297 381 etot -8.8222E+01 mv 1 49 197 -100 0 + 4 e 87 404 etot -8.6962E+01 mv 0 49 100 0 0 c 100 0.3 0.0 + 4 e 78 410 etot -8.5168E+01 mv 0 49 166 0 0 + 4 e 494 379 etot -8.6148E+01 mv 1 49 65 -134 0 + 4 e 12 415 etot -8.9248E+01 mv 0 49 42 0 0 c 42 0.0 0.0 + 4 e 454 384 etot -7.0456E+01 mv 1 49 197 -176 0 + 4 e 353 393 etot -6.1381E+01 mv 1 49 135 -110 0 + 4 e 152 406 etot -8.8873E+01 mv 0 49 123 0 0 c 123 1.5 0.0 + 4 e 15 416 etot -8.9188E+01 mv 0 49 65 0 0 +## N0 total= 18 close= 10 far= 0 %acc 55.6 +## N1 total= 102 close= 5 far= 0 %acc 4.9 +## N2 total= 100 close= 6 far= 1 %acc 7.0 +## N3 total= 0 close= 0 far= 0 %acc 0.0 +## N4 total= 0 close= 0 far= 0 %acc 0.0 +## N5 total= 0 close= 0 far= 0 %acc 0.0 +## N6 total= 200 close= 24 far= 2 %acc 13.0 +## N7 total= 0 close= 0 far= 0 %acc 0.0 +## N8 total= 0 close= 0 far= 0 %acc 0.0 +## N9 total= 0 close= 0 far= 0 %acc 0.0 +##N10 total= 0 close= 0 far= 0 %acc 0.0 +##N11 total= 0 close= 0 far= 0 %acc 0.0 +##N12 total= 0 close= 0 far= 0 %acc 0.0 +##N13 total= 0 close= 0 far= 0 %acc 0.0 +##N14 total= 0 close= 0 far= 0 %acc 0.0 +##N15 total= 0 close= 0 far= 0 %acc 0.0 +##N16 total= 0 close= 0 far= 0 %acc 0.0 +##N17 total= 0 close= 0 far= 0 %acc 0.0 +##N18 total= 0 close= 0 far= 0 %acc 0.0 + Time for refresh 50 0.50 + make_var : nseed= 20 ntry= 420 + Time for make trial 51 0.05 +Nonsetup time 109.57 sec, Eval/s = 56997.14 +Time for iter 51 2.17 sec, Eval/s = 60488.88 + UPDATING 420 + 4 e 266 400 etot -8.7813E+01 mv 1 49 91 -197 0 + 4 e 100 411 etot -8.4709E+01 mv 0 49 189 0 0 c 189 1.4 0.0 + 4 e 199 405 etot -8.5997E+01 mv 0 49 112 0 0 c 112 0.7 0.0 + 4 e 155 407 etot -8.4660E+01 mv 0 49 156 0 0 + 4 e 11 418 etot -8.9028E+01 mv 0 49 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0 + 4 e 399 382 etot -8.9187E+01 mv 1 49 197 82 0 + 4 e 263 390 etot -8.8807E+01 mv 1 49 101 36 0 + 4 e 643 368 etot -8.5603E+01 mv 1 49 123 168 0 + 4 e 151 412 etot -9.0096E+01 mv 0 49 198 0 0 + 4 e 390 375 etot -8.3093E+01 mv 1 49 42 -137 0 + 4 e 242 413 etot -8.5517E+01 mv 0 49 200 0 0 + 4 e 411 386 etot -7.9582E+01 mv 1 49 101 142 0 + 4 e 317 398 etot -7.1869E+01 mv 1 49 91 -42 0 + -1 e 1 29 etot 1.3528E+20 mv 6 50 65 38 0 + 4 e 155 6 etot -8.7634E+01 mv 6 50 59 53 0 c 59 3.0 0.0 + 4 e 217 17 etot -8.7298E+01 mv 6 50 64 69 0 + 4 e 237 18 etot -7.5764E+01 mv 6 50 64 145 0 + 4 e 232 14 etot -8.4804E+01 mv 6 50 64 180 0 + 4 e 261 1 etot -7.2752E+01 mv 6 50 59 116 0 + 4 e 281 2 etot -7.5919E+01 mv 6 50 59 123 0 + 4 e 256 11 etot -8.7303E+01 mv 6 50 64 32 0 c 64 1.7 0.0 + 4 e 287 5 etot -8.6471E+01 mv 6 50 59 156 0 + 4 e 336 12 etot -7.7304E+01 mv 6 50 64 97 0 + 4 e 274 13 etot -7.0970E+01 mv 6 50 64 5 0 + 4 e 302 26 etot -8.9189E+01 mv 6 50 65 5 0 + 4 e 297 7 etot -8.8573E+01 mv 6 50 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4 e 328 351 etot -8.4287E+01 mv 1 50 164 -55 0 + 4 e 598 318 etot -8.9258E+01 mv 1 50 66 -98 0 + 4 e 364 347 etot -7.4575E+01 mv 1 50 158 -84 0 + 4 e 235 360 etot -8.5804E+01 mv 1 50 166 -37 0 + 4 e 150 381 etot -8.5541E+01 mv 1 50 78 -184 0 + 4 e 258 373 etot -8.5640E+01 mv 1 50 198 -134 0 + 4 e 372 363 etot -6.7333E+01 mv 1 50 171 -49 0 + 4 e 249 375 etot -8.7793E+01 mv 1 50 198 -124 0 + 4 e 337 370 etot -8.7479E+01 mv 1 50 176 -31 0 + 4 e 378 355 etot -8.5449E+01 mv 1 50 164 -141 0 + 4 e 211 382 etot -8.5540E+01 mv 1 50 78 14 0 + 4 e 468 341 etot -8.5341E+01 mv 1 50 156 -66 0 + 4 e 255 377 etot -8.5740E+01 mv 1 50 200 -55 0 + 4 e 311 374 etot -9.0287E+01 mv 1 50 198 -143 0 c 198 6.1 0.0 + 4 e 276 376 etot -8.4769E+01 mv 1 50 200 -157 0 + 4 e 497 358 etot -8.1378E+01 mv 1 50 166 -149 0 + 4 e 426 366 etot -8.7478E+01 mv 1 50 176 -50 0 + 4 e 255 383 etot -8.4845E+01 mv 1 50 78 -5 0 + 4 e 553 336 etot -8.7714E+01 mv 1 50 126 -105 0 + 4 e 238 386 etot -9.0745E+01 mv 1 50 35 144 0 + 4 e 299 384 etot -8.5540E+01 mv 1 50 78 -4 0 + 4 e 233 388 etot -9.0745E+01 mv 1 50 35 94 0 + 4 e 187 385 etot -8.4802E+01 mv 1 50 78 -102 0 + 4 e 130 401 etot -8.7634E+01 mv 0 50 59 0 0 + 4 e 121 402 etot -8.7303E+01 mv 0 50 64 0 0 c 64 1.2 0.0 + 4 e 205 393 etot -8.9187E+01 mv 1 50 197 -14 0 + 4 e 75 406 etot -8.4160E+01 mv 0 50 75 0 0 + 4 e 123 403 etot -8.9231E+01 mv 0 50 65 0 0 c 65 2.2 0.0 + 4 e 318 387 etot -9.0745E+01 mv 1 50 35 97 0 + 4 e 148 404 etot -8.9261E+01 mv 0 50 66 0 0 c 66 1.7 0.0 + 4 e 536 369 etot -8.7095E+01 mv 1 50 176 -2 0 + 4 e 12 417 etot -8.5541E+01 mv 0 50 78 0 0 c 78 0.0 0.0 +## N0 total= 20 close= 9 far= 0 %acc 45.0 +## N1 total= 100 close= 7 far= 0 %acc 7.0 +## N2 total= 100 close= 8 far= 0 %acc 8.0 +## N3 total= 0 close= 0 far= 0 %acc 0.0 +## N4 total= 0 close= 0 far= 0 %acc 0.0 +## N5 total= 0 close= 0 far= 0 %acc 0.0 +## N6 total= 200 close= 25 far= 2 %acc 13.5 +## N7 total= 0 close= 0 far= 0 %acc 0.0 +## N8 total= 0 close= 0 far= 0 %acc 0.0 +## N9 total= 0 close= 0 far= 0 %acc 0.0 +##N10 total= 0 close= 0 far= 0 %acc 0.0 +##N11 total= 0 close= 0 far= 0 %acc 0.0 +##N12 total= 0 close= 0 far= 0 %acc 0.0 +##N13 total= 0 close= 0 far= 0 %acc 0.0 +##N14 total= 0 close= 0 far= 0 %acc 0.0 +##N15 total= 0 close= 0 far= 0 %acc 0.0 +##N16 total= 0 close= 0 far= 0 %acc 0.0 +##N17 total= 0 close= 0 far= 0 %acc 0.0 +##N18 total= 0 close= 0 far= 0 %acc 0.0 + Time for refresh 51 0.72 + make_var : nseed= 20 ntry= 420 + Time for make trial 52 0.40 +Nonsetup time 112.29 sec, Eval/s = 56732.80 +Time for iter 52 2.71 sec, Eval/s = 46063.79 + UPDATING 420 + 4 e 490 399 etot -7.8963E+01 mv 1 50 37 -35 0 + 4 e 108 412 etot -8.5805E+01 mv 0 50 166 0 0 c 166 0.8 0.0 + 4 e 235 395 etot -8.9187E+01 mv 1 50 197 94 0 + 4 e 136 410 etot -8.7152E+01 mv 0 50 158 0 0 c 158 1.3 0.0 + 4 e 163 405 etot -8.4635E+01 mv 0 50 72 0 0 + 4 e 317 396 etot -8.9074E+01 mv 1 50 37 -183 0 + 4 e 90 408 etot -8.7716E+01 mv 0 50 126 0 0 + 4 e 464 394 etot -7.5792E+01 mv 1 50 197 -12 0 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-9.0745E+01 mv 1 50 35 -117 0 + 4 e 192 407 etot -8.9527E+01 mv 0 50 124 0 0 c 124 1.0 0.0 + 4 e 121 411 etot -8.6149E+01 mv 0 50 164 0 0 + 4 e 321 400 etot -8.8687E+01 mv 1 50 37 64 0 + 4 e 541 380 etot -8.5277E+01 mv 1 50 200 -127 0 + 4 e 471 359 etot -8.5517E+01 mv 1 50 166 -136 0 + 4 e 531 372 etot -8.6109E+01 mv 1 50 198 -117 0 + 4 e 238 389 etot -7.8662E+01 mv 1 50 35 197 0 + 4 e 275 398 etot -8.9074E+01 mv 1 50 37 124 0 + -1 e 1 33 etot 1.6438E+20 mv 6 51 68 198 0 + 4 e 40 24 etot -8.5444E+01 mv 6 51 59 56 0 c 56 0.1 0.0 + 4 e 132 9 etot -8.6648E+01 mv 6 51 16 164 0 c 164 2.1 0.0 + 4 e 165 29 etot -7.0320E+01 mv 6 51 59 54 0 + 4 e 203 30 etot -8.8574E+01 mv 6 51 59 120 0 c 59 2.6 0.0 + 4 e 200 18 etot -7.6653E+01 mv 6 51 24 98 0 + 4 e 222 7 etot -8.7756E+01 mv 6 51 16 139 0 + 4 e 225 12 etot -8.5760E+01 mv 6 51 24 161 0 c 24 3.3 0.0 + 4 e 267 2 etot -8.4830E+01 mv 6 51 16 66 0 c 16 117.5 0.3 + 4 e 244 26 etot -8.4722E+01 mv 6 51 59 186 0 + 4 e 258 31 etot -9.0083E+01 mv 6 51 68 17 0 + 4 e 264 32 etot -9.0900E+01 mv 6 51 68 85 0 c 68 4.9 0.0 + 4 e 224 4 etot -8.6743E+01 mv 6 51 16 60 0 c 16 156.0 1.9 + 4 e 143 34 etot -6.9512E+01 mv 6 51 68 163 0 + 4 e 298 21 etot -7.5973E+01 mv 6 51 59 15 0 + -1 e 1 51 etot 1.3528E+20 mv 6 51 75 137 0 + 4 e 311 23 etot -8.7575E+01 mv 6 51 59 71 0 + 4 e 337 6 etot -8.1720E+01 mv 6 51 16 187 0 + 4 e 350 5 etot -8.4511E+01 mv 6 51 16 44 0 + 4 e 345 8 etot -8.4831E+01 mv 6 51 16 142 0 + 4 e 390 17 etot -8.5760E+01 mv 6 51 24 46 0 + 4 e 363 39 etot -8.4988E+01 mv 6 51 68 93 0 + 4 e 114 52 etot -6.9401E+01 mv 6 51 75 35 0 + 4 e 237 42 etot -8.5120E+01 mv 6 51 72 81 0 c 72 26.3 0.2 + 4 e 191 43 etot -8.5814E+01 mv 6 51 72 69 0 + 4 e 217 37 etot -9.0782E+01 mv 6 51 68 145 0 + 4 e 431 14 etot -8.0991E+01 mv 6 51 24 116 0 + 4 e 453 13 etot -7.6634E+01 mv 6 51 24 30 0 + 4 e 602 3 etot -8.4327E+01 mv 6 51 16 73 0 + 4 e 486 20 etot -8.1007E+01 mv 6 51 24 22 0 + 4 e 461 22 etot -8.5856E+01 mv 6 51 59 127 0 + -1 e 1 66 etot 1.3528E+20 mv 6 51 126 145 0 + 4 e 230 49 etot -6.4639E+01 mv 6 51 72 31 0 + 4 e 237 48 etot -7.7718E+01 mv 6 51 72 145 0 + 4 e 392 45 etot -8.2434E+01 mv 6 51 72 90 0 + 4 e 491 11 etot -8.3288E+01 mv 6 51 24 194 0 + 4 e 291 44 etot -8.0446E+01 mv 6 51 72 19 0 + 4 e 301 27 etot -7.5410E+01 mv 6 51 59 152 0 + 4 e 263 57 etot -8.2991E+01 mv 6 51 75 180 0 + 4 e 251 58 etot -8.9060E+01 mv 6 51 75 104 0 + 4 e 219 60 etot -6.9656E+01 mv 6 51 75 118 0 + 4 e 455 46 etot -7.8274E+01 mv 6 51 72 129 0 + 4 e 345 47 etot -8.2775E+01 mv 6 51 72 173 0 + 4 e 252 56 etot -8.4552E+01 mv 6 51 75 34 0 c 75 2.1 0.0 + -1 e 1 80 etot 1.4858E+37 mv 6 51 134 50 0 + 4 e 310 35 etot -9.0900E+01 mv 6 51 68 177 0 c 68 2.7 0.0 + 4 e 196 61 etot -8.8363E+01 mv 6 51 126 75 0 c 126 2.0 0.0 + 4 e 278 63 etot -8.8031E+01 mv 6 51 126 163 0 + 4 e 202 50 etot -7.3099E+01 mv 6 51 72 170 0 + 4 e 336 28 etot -8.4930E+01 mv 6 51 59 95 0 + 4 e 465 41 etot -8.4221E+01 mv 6 51 72 12 0 + 4 e 343 25 etot -8.7725E+01 mv 6 51 59 120 0 + 4 e 247 72 etot -8.6959E+01 mv 6 51 134 69 0 c 134 34.3 0.2 + -1 e 1 89 etot 1.3528E+20 mv 6 51 145 129 0 + -1 e 1 90 etot 1.3528E+20 mv 6 51 145 105 0 + 4 e 309 67 etot -8.4896E+01 mv 6 51 126 70 0 + 4 e 290 68 etot -8.8363E+01 mv 6 51 126 167 0 + 4 e 315 38 etot -9.0900E+01 mv 6 51 68 114 0 + 8 e 37 87 etot -6.3999E+01 mv 6 51 145 185 0 + -1 e 1 95 etot 1.3528E+20 mv 6 51 164 80 0 + 4 e 353 55 etot -8.1437E+01 mv 6 51 75 24 0 + 4 e 356 65 etot -8.7319E+01 mv 6 51 126 125 0 + 4 e 591 40 etot -9.1039E+01 mv 6 51 68 146 0 + 4 e 266 69 etot -9.0900E+01 mv 6 51 126 166 0 c 68 2.4 0.0 + 4 e 528 59 etot -7.6234E+01 mv 6 51 75 92 0 + 4 e 333 73 etot -8.6797E+01 mv 6 51 134 60 0 + 4 e 387 71 etot -8.6796E+01 mv 6 51 134 48 0 + 4 e 609 53 etot -8.2570E+01 mv 6 51 75 12 0 + 4 e 481 64 etot -9.1812E+01 mv 6 51 126 192 0 + 4 e 48 94 etot -8.5545E+01 mv 6 51 164 113 0 c 113 0.0 0.0 + 4 e 494 54 etot -8.8948E+01 mv 6 51 75 45 0 + 4 e 222 79 etot -7.2827E+01 mv 6 51 134 50 0 + 4 e 343 81 etot -8.8629E+01 mv 6 51 145 153 0 + 4 e 197 97 etot -6.9633E+01 mv 6 51 164 173 0 + 4 e 304 84 etot -7.8843E+01 mv 6 51 145 20 0 + 4 e 448 77 etot -8.5451E+01 mv 6 51 134 148 0 + 4 e 191 100 etot -8.7396E+01 mv 6 51 164 81 0 + 4 e 491 76 etot -8.6796E+01 mv 6 51 134 126 0 + 4 e 308 91 etot -8.7166E+01 mv 6 51 164 129 0 + 4 e 361 83 etot -7.8134E+01 mv 6 51 145 12 0 + 4 e 432 70 etot -7.9694E+01 mv 6 51 126 107 0 + 4 e 324 93 etot -8.5930E+01 mv 6 51 164 34 0 + 4 e 362 92 etot -8.2303E+01 mv 6 51 164 39 0 + 4 e 573 75 etot -7.9617E+01 mv 6 51 134 1 0 + 4 e 543 78 etot -8.4236E+01 mv 6 51 134 188 0 + -1 e 1 121 etot 1.3528E+20 mv 6 51 134 198 0 + -1 e 1 122 etot 1.3528E+20 mv 6 51 134 75 0 + 4 e 142 112 etot -8.4266E+01 mv 6 51 200 179 0 + 4 e 229 99 etot -8.6648E+01 mv 6 51 164 68 0 + 4 e 503 36 etot -8.9600E+01 mv 6 51 68 135 0 + 4 e 370 103 etot -8.7476E+01 mv 6 51 177 58 0 + 4 e 198 113 etot -8.8505E+01 mv 6 51 200 188 0 c 200 3.4 0.0 + 4 e 312 96 etot -8.6647E+01 mv 6 51 164 181 0 + 4 e 276 110 etot -8.5712E+01 mv 6 51 177 154 0 c 177 3.4 0.0 + 4 e 396 102 etot -8.6108E+01 mv 6 51 177 17 0 + -1 e 1 130 etot 1.3528E+20 mv 6 51 134 67 0 + 4 e 312 109 etot -8.5711E+01 mv 6 51 177 54 0 + 4 e 150 124 etot -7.6619E+01 mv 6 51 134 114 0 + 4 e 251 114 etot -8.8504E+01 mv 6 51 200 67 0 + 4 e 233 116 etot -8.7716E+01 mv 6 51 200 28 0 + 4 e 410 107 etot -8.9174E+01 mv 6 51 177 150 0 + 4 e 477 101 etot -8.1329E+01 mv 6 51 177 46 0 + -1 e 1 138 etot 1.3528E+20 mv 6 51 191 177 0 + 4 e 557 98 etot -8.0821E+01 mv 6 51 164 121 0 + 4 e 212 123 etot -9.0455E+01 mv 6 51 134 35 0 + 4 e 247 85 etot -8.4765E+01 mv 6 51 145 186 0 c 145 3.8 0.0 + 4 e 268 119 etot -8.6051E+01 mv 6 51 200 171 0 + 4 e 72 139 etot -8.5372E+01 mv 6 51 191 162 0 c 162 0.3 0.0 + 4 e 336 108 etot -8.2237E+01 mv 6 51 177 172 0 + 4 e 621 104 etot -8.6316E+01 mv 6 51 177 64 0 + 4 e 276 128 etot -7.6372E+01 mv 6 51 134 26 0 + 4 e 254 132 etot -8.8917E+01 mv 6 51 191 150 0 + 4 e 433 115 etot -8.8628E+01 mv 6 51 200 99 0 + 4 e 395 120 etot -8.1323E+01 mv 6 51 200 60 0 + 4 e 238 135 etot -9.0761E+01 mv 6 51 191 149 0 + -1 e 1 151 etot 2.7799E+21 mv 6 51 101 177 0 + -1 e 1 152 etot 1.3528E+20 mv 6 51 101 39 0 + 4 e 285 134 etot -9.0761E+01 mv 6 51 191 166 0 + 4 e 330 131 etot -8.9616E+01 mv 6 51 191 115 0 + 4 e 298 88 etot -8.3633E+01 mv 6 51 145 170 0 + 4 e 612 111 etot -8.7947E+01 mv 6 51 200 148 0 + 4 e 511 118 etot -8.8436E+01 mv 6 51 200 150 0 + 4 e 253 129 etot -8.8989E+01 mv 6 51 134 46 0 + 4 e 305 137 etot -8.3557E+01 mv 6 51 191 138 0 + 4 e 316 136 etot -8.3399E+01 mv 6 51 191 68 0 + 4 e 741 105 etot -8.6023E+01 mv 6 51 177 61 0 + 4 e 465 82 etot -7.1842E+01 mv 6 51 145 101 0 + 4 e 257 144 etot -7.2871E+01 mv 6 51 197 130 0 + 4 e 388 141 etot -8.6354E+01 mv 6 51 197 58 0 + -1 e 1 165 etot 1.3528E+20 mv 6 51 135 61 0 + 4 e 535 127 etot -7.8212E+01 mv 6 51 134 161 0 + 4 e 411 125 etot -8.6797E+01 mv 6 51 134 109 0 + 4 e 261 146 etot -8.5320E+01 mv 6 51 197 111 0 + 4 e 275 149 etot -7.3788E+01 mv 6 51 197 54 0 + 4 e 201 126 etot -7.1704E+01 mv 6 51 134 133 0 + 4 e 224 155 etot -8.9027E+01 mv 6 51 101 116 0 + -1 e 1 172 etot 1.3528E+20 mv 6 51 117 72 0 + 4 e 474 140 etot -8.1831E+01 mv 6 51 191 66 0 + 4 e 317 142 etot -8.3579E+01 mv 6 51 197 130 0 + 4 e 13 171 etot -8.5426E+01 mv 6 51 117 48 0 c 48 0.0 0.0 + 4 e 438 74 etot -8.2300E+01 mv 6 51 134 22 0 + 4 e 329 148 etot -8.7166E+01 mv 6 51 197 164 0 + 4 e 213 162 etot -8.8266E+01 mv 6 51 135 29 0 + 4 e 487 143 etot -8.2232E+01 mv 6 51 197 159 0 + 4 e 381 147 etot -8.1616E+01 mv 6 51 197 91 0 + 4 e 337 157 etot -7.9610E+01 mv 6 51 101 199 0 + 4 e 380 153 etot -8.6522E+01 mv 6 51 101 175 0 + 4 e 340 158 etot -8.7038E+01 mv 6 51 101 4 0 + 4 e 360 145 etot -8.7005E+01 mv 6 51 197 172 0 + 4 e 592 117 etot -7.8920E+01 mv 6 51 200 189 0 + -1 e 1 186 etot 1.3528E+20 mv 6 51 91 142 0 + 4 e 198 170 etot -6.5948E+01 mv 6 51 135 192 0 + 4 e 257 166 etot -9.0080E+01 mv 6 51 135 137 0 + 4 e 435 154 etot -8.1541E+01 mv 6 51 101 3 0 + -1 e 1 190 etot 1.3528E+20 mv 6 51 91 119 0 + 4 e 194 173 etot -8.8173E+01 mv 6 51 117 50 0 + 4 e 617 62 etot -8.4829E+01 mv 6 51 126 85 0 + 4 e 169 168 etot -9.0745E+01 mv 6 51 135 87 0 + -1 e 1 193 etot 1.3528E+20 mv 6 51 178 163 0 + 4 e 270 163 etot -8.7272E+01 mv 6 51 135 132 0 + 4 e 515 150 etot -7.7777E+01 mv 6 51 197 21 0 + 4 e 200 179 etot -8.4675E+01 mv 6 51 117 53 0 + 4 e 779 133 etot -7.9138E+01 mv 6 51 191 182 0 + 4 e 421 161 etot -8.2311E+01 mv 6 51 135 69 0 + 4 e 218 178 etot -8.5940E+01 mv 6 51 117 146 0 + 4 e 319 169 etot -9.0080E+01 mv 6 51 135 62 0 + 4 e 339 159 etot -8.5399E+01 mv 6 51 101 155 0 + 4 e 235 183 etot -8.4484E+01 mv 6 51 91 167 0 + -1 e 1 204 etot 1.3528E+20 mv 2 51 16 -89 0 + 4 e 533 160 etot -9.1679E+01 mv 6 51 101 18 0 + 4 e 513 86 etot -7.7110E+01 mv 6 51 145 186 0 + -1 e 1 206 etot 1.3528E+20 mv 2 51 24 -151 0 + 4 e 227 184 etot -8.7677E+01 mv 6 51 91 191 0 + 4 e 433 174 etot -8.2181E+01 mv 6 51 117 184 0 + 4 e 393 180 etot -8.0991E+01 mv 6 51 117 76 0 + 4 e 632 164 etot -8.0751E+01 mv 6 51 135 36 0 + 4 e 296 189 etot -8.5109E+01 mv 6 51 91 183 0 + 4 e 308 188 etot -7.8635E+01 mv 6 51 91 94 0 + 4 e 313 191 etot -7.9947E+01 mv 6 51 178 82 0 + 4 e 157 177 etot -8.7772E+01 mv 6 51 117 150 0 + 4 e 315 197 etot -7.3714E+01 mv 6 51 178 174 0 + 4 e 228 196 etot -8.7680E+01 mv 6 51 178 84 0 + 4 e 310 199 etot -8.7680E+01 mv 6 51 178 150 0 + 4 e 620 167 etot -8.1351E+01 mv 6 51 135 159 0 + 4 e 327 201 etot -8.2047E+01 mv 2 51 16 -59 0 + 4 e 512 106 etot -6.8622E+01 mv 6 51 177 81 0 + 4 e 327 202 etot -7.2751E+01 mv 2 51 16 -166 0 + 4 e 541 181 etot -8.7747E+01 mv 6 51 91 45 0 + 4 e 505 182 etot -8.0612E+01 mv 6 51 91 129 0 + 4 e 178 210 etot -8.5760E+01 mv 2 51 24 -133 0 c 24 1.8 0.0 + 4 e 417 192 etot -8.4376E+01 mv 6 51 178 35 0 + 4 e 283 195 etot -8.8203E+01 mv 6 51 178 174 0 + 4 e 266 209 etot -8.5760E+01 mv 2 51 24 -130 0 + 4 e 308 194 etot -7.3714E+01 mv 6 51 178 79 0 + 4 e 415 198 etot -7.6130E+01 mv 6 51 178 116 0 + -1 e 1 231 etot 1.3528E+20 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etot -8.7812E+01 mv 6 51 91 45 0 + 4 e 370 223 etot -8.4018E+01 mv 2 51 72 -165 0 + 4 e 341 207 etot -5.3666E+01 mv 2 51 24 -165 0 + 4 e 305 234 etot -8.6754E+01 mv 2 51 126 -148 0 + 4 e 510 214 etot -7.9713E+01 mv 2 51 59 -147 0 + 4 e 366 232 etot -7.3270E+01 mv 2 51 126 -70 0 + 4 e 227 241 etot -8.4766E+01 mv 2 51 145 -191 0 c 145 1.1 0.0 + 4 e 496 219 etot -8.3029E+01 mv 2 51 68 -92 0 + 4 e 262 216 etot -7.8816E+01 mv 2 51 68 -73 0 + 4 e 550 215 etot -8.6086E+01 mv 2 51 59 -123 0 + 4 e 271 242 etot -7.0659E+01 mv 2 51 145 -95 0 + 4 e 221 236 etot -7.0709E+01 mv 2 51 134 -194 0 + 4 e 541 203 etot -8.0153E+01 mv 2 51 16 -82 0 + 4 e 333 237 etot -7.8992E+01 mv 2 51 134 -30 0 + 4 e 346 222 etot -6.3569E+01 mv 2 51 72 -93 0 + 4 e 253 246 etot -8.5119E+01 mv 2 51 164 -71 0 + 4 e 414 218 etot -8.0152E+01 mv 2 51 68 -3 0 + 4 e 377 230 etot -7.9122E+01 mv 2 51 75 -57 0 + 4 e 189 250 etot -8.6648E+01 mv 2 51 164 -192 0 + 4 e 255 252 etot -8.4527E+01 mv 2 51 177 -50 0 + 4 e 463 240 etot -7.5123E+01 mv 2 51 134 -62 0 + 4 e 312 248 etot -8.5098E+01 mv 2 51 164 -2 0 + 4 e 266 256 etot -8.8504E+01 mv 2 51 200 -103 0 + 4 e 372 244 etot -7.7912E+01 mv 2 51 145 -91 0 + 4 e 221 262 etot -6.8260E+01 mv 2 51 134 154 0 + 4 e 401 235 etot -7.6212E+01 mv 2 51 126 -200 0 + 4 e 697 226 etot -7.9378E+01 mv 2 51 75 -61 0 + 4 e 375 238 etot -6.9775E+01 mv 2 51 134 -158 0 + 4 e 247 260 etot -7.4832E+01 mv 2 51 200 -21 0 + -1 e 1 281 etot 1.3528E+20 mv 2 51 135 -102 0 + 4 e 276 259 etot -7.2736E+01 mv 2 51 200 -32 0 + 4 e 483 243 etot -6.3788E+01 mv 2 51 145 -152 0 + 4 e 170 268 etot -9.0761E+01 mv 2 51 191 -183 0 + 4 e 775 224 etot -6.8724E+01 mv 2 51 72 -189 0 + 4 e 270 266 etot -8.7879E+01 mv 2 51 191 4 0 + 4 e 541 228 etot -7.7582E+01 mv 2 51 75 -36 0 + 4 e 478 251 etot -8.3960E+01 mv 2 51 177 -107 0 + 4 e 341 253 etot -6.7038E+01 mv 2 51 177 -34 0 + 4 e 214 274 etot -7.5850E+01 mv 2 51 197 -179 0 + 4 e 703 239 etot -8.2299E+01 mv 2 51 134 -113 0 + 4 e 286 265 etot -8.6797E+01 mv 2 51 134 193 0 + 4 e 219 270 etot -9.0761E+01 mv 2 51 191 49 0 + 4 e 233 269 etot -9.0761E+01 mv 2 51 191 193 0 + 4 e 193 284 etot -8.8558E+01 mv 2 51 135 195 0 + 4 e 460 263 etot -7.3787E+01 mv 2 51 134 -142 0 + 4 e 206 285 etot -8.8558E+01 mv 2 51 135 65 0 + 4 e 227 283 etot -8.8557E+01 mv 2 51 135 -14 0 + 4 e 538 258 etot -8.1416E+01 mv 2 51 200 -119 0 + 4 e 207 278 etot -8.9027E+01 mv 2 51 101 -48 0 + 4 e 322 267 etot -8.5533E+01 mv 2 51 191 -195 0 + 4 e 355 273 etot -8.6159E+01 mv 2 51 197 26 0 + 4 e 142 291 etot -8.7814E+01 mv 2 51 91 -74 0 + -1 e 1 304 etot 1.3528E+20 mv 1 51 16 -72 0 + 4 e 323 279 etot -7.7926E+01 mv 2 51 101 -162 0 + 4 e 612 257 etot -8.7414E+01 mv 2 51 200 -44 0 + -1 e 1 307 etot 1.3528E+20 mv 1 51 24 -157 0 + -1 e 1 308 etot 1.3528E+20 mv 1 51 24 -155 0 + 4 e 653 254 etot -7.8712E+01 mv 2 51 177 -157 0 + 4 e 224 280 etot -8.9027E+01 mv 2 51 101 143 0 + 4 e 239 289 etot -7.7893E+01 mv 2 51 117 2 0 + 4 e 406 276 etot -7.9610E+01 mv 2 51 101 -36 0 + 4 e 179 288 etot -8.8173E+01 mv 2 51 117 173 0 + 4 e 415 261 etot -8.1684E+01 mv 2 51 134 -32 0 + 4 e 309 287 etot -8.6544E+01 mv 2 51 117 159 0 + 4 e 420 277 etot -8.7522E+01 mv 2 51 101 -75 0 + -1 e 1 316 etot 1.3528E+20 mv 1 51 68 -64 0 + -1 e 1 318 etot 1.3528E+20 mv 1 51 68 -91 0 + 4 e 154 298 etot -8.6178E+01 mv 2 51 178 -19 0 + 4 e 486 255 etot -7.5611E+01 mv 2 51 177 -17 0 + 4 e 191 290 etot -8.6648E+01 mv 2 51 117 55 0 + 4 e 496 275 etot -8.4310E+01 mv 2 51 197 -102 0 + 4 e 460 282 etot -8.1535E+01 mv 2 51 135 -107 0 + 4 e 173 295 etot -8.7814E+01 mv 2 51 91 123 0 + 4 e 393 271 etot -7.9493E+01 mv 2 51 197 40 0 + 4 e 186 306 etot -8.4345E+01 mv 1 51 24 -97 0 + 4 e 484 264 etot -8.3297E+01 mv 2 51 134 69 0 + 4 e 286 296 etot -7.8903E+01 mv 2 51 178 145 0 + 4 e 637 272 etot -7.1466E+01 mv 2 51 197 -195 0 + 4 e 385 292 etot -7.2093E+01 mv 2 51 91 -116 0 + 4 e 328 297 etot -7.9341E+01 mv 2 51 178 8 0 + 4 e 261 305 etot -8.4264E+01 mv 1 51 16 -1 0 + 4 e 512 286 etot -7.6990E+01 mv 2 51 117 -15 0 + 8 e 2 333 etot -6.3993E+01 mv 1 51 126 -65 0 + 4 e 275 310 etot -6.9595E+01 mv 1 51 24 -96 0 + 4 e 189 315 etot -8.8574E+01 mv 1 51 59 -94 0 c 59 1.1 0.0 + 4 e 260 319 etot -8.6452E+01 mv 1 51 68 -92 0 + 4 e 301 313 etot -8.7634E+01 mv 1 51 59 -18 0 + 4 e 160 329 etot -6.9788E+01 mv 1 51 75 -4 0 + 4 e 335 312 etot -8.0273E+01 mv 1 51 59 -57 0 + 4 e 400 300 etot -7.8817E+01 mv 2 51 178 -199 0 + 4 e 235 311 etot -8.8574E+01 mv 1 51 59 -68 0 + 4 e 330 294 etot -6.9062E+01 mv 2 51 91 157 0 + 4 e 301 320 etot -9.0659E+01 mv 1 51 68 -141 0 + 4 e 194 330 etot -7.0957E+01 mv 1 51 75 -4 0 + 4 e 433 303 etot -7.2877E+01 mv 1 51 16 -159 0 + -1 e 1 347 etot 1.3545E+20 mv 1 51 164 -171 0 + 4 e 348 317 etot -8.5904E+01 mv 1 51 68 -54 0 + -1 e 1 349 etot 1.3528E+20 mv 1 51 164 -42 0 + 4 e 182 325 etot -8.4927E+01 mv 1 51 72 -78 0 + 4 e 185 331 etot -8.8363E+01 mv 1 51 126 -19 0 c 126 0.8 0.0 + 4 e 505 299 etot -7.8470E+01 mv 2 51 178 -2 0 + 4 e 317 323 etot -8.1217E+01 mv 1 51 72 -167 0 + 4 e 355 302 etot -8.2837E+01 mv 1 51 16 -183 0 + 4 e 155 339 etot -6.8978E+01 mv 1 51 134 -46 0 + -1 e 1 356 etot 1.3528E+20 mv 1 51 200 -55 0 + -1 e 1 357 etot 1.3528E+20 mv 1 51 200 -106 0 + -1 e 1 358 etot 2.4263E+22 mv 1 51 200 -154 0 + -1 e 1 359 etot 1.3528E+20 mv 1 51 200 -115 0 + 4 e 340 314 etot -7.6315E+01 mv 1 51 59 -75 0 + 4 e 135 346 etot -7.6421E+01 mv 1 51 164 -169 0 + 4 e 538 309 etot -6.9205E+01 mv 1 51 24 -173 0 + 4 e 211 345 etot -8.4765E+01 mv 1 51 145 -138 0 + 4 e 361 332 etot -7.8835E+01 mv 1 51 126 -82 0 + 4 e 202 350 etot -8.6648E+01 mv 1 51 164 -62 0 + 4 e 471 324 etot -8.4926E+01 mv 1 51 72 -62 0 + 4 e 468 327 etot -7.9807E+01 mv 1 51 75 -189 0 + 4 e 387 334 etot -7.7242E+01 mv 1 51 126 -18 0 + 4 e 338 326 etot -7.7686E+01 mv 1 51 75 -112 0 + 4 e 219 343 etot -6.8563E+01 mv 1 51 145 -92 0 + 4 e 181 360 etot -8.8505E+01 mv 1 51 200 -148 0 + 4 e 366 328 etot -7.7636E+01 mv 1 51 75 -66 0 + 4 e 411 322 etot -7.5706E+01 mv 1 51 72 -134 0 + 4 e 421 336 etot -8.6795E+01 mv 1 51 134 -90 0 + 4 e 450 321 etot -7.9343E+01 mv 1 51 72 -169 0 + 4 e 392 338 etot -6.3478E+01 mv 1 51 134 -143 0 + 4 e 144 361 etot -7.2600E+01 mv 1 51 134 162 0 + 4 e 514 335 etot -8.9936E+01 mv 1 51 126 -153 0 + 4 e 143 368 etot -9.0761E+01 mv 1 51 191 -130 0 + 4 e 201 364 etot -8.5321E+01 mv 1 51 134 -139 0 + 4 e 573 301 etot -8.3718E+01 mv 1 51 16 -99 0 + -1 e 1 382 etot 1.3528E+20 mv 1 51 135 188 0 + 4 e 505 341 etot -7.7109E+01 mv 1 51 145 -98 0 + 4 e 420 352 etot -7.3166E+01 mv 1 51 177 -60 0 + 4 e 311 351 etot -7.8211E+01 mv 1 51 177 -183 0 + 4 e 300 365 etot -6.9915E+01 mv 1 51 134 3 0 + 4 e 550 342 etot -7.1498E+01 mv 1 51 145 -177 0 + 4 e 161 370 etot -9.0761E+01 mv 1 51 191 -162 0 + 4 e 356 363 etot -8.5775E+01 mv 1 51 134 -99 0 + 4 e 387 362 etot -8.6959E+01 mv 1 51 134 -2 0 + 4 e 314 367 etot -7.7683E+01 mv 1 51 191 26 0 + 4 e 220 377 etot -6.6706E+01 mv 1 51 101 -111 0 + 4 e 326 366 etot -8.1081E+01 mv 1 51 191 124 0 + 4 e 623 340 etot -8.6795E+01 mv 1 51 134 -21 0 + 4 e 497 354 etot -8.6255E+01 mv 1 51 177 -56 0 + 4 e 570 348 etot -8.1193E+01 mv 1 51 164 -197 0 + 4 e 550 353 etot -8.6126E+01 mv 1 51 177 -131 0 f 110 309.7 2.1 + 4 e 780 293 etot -8.2003E+01 mv 2 51 91 44 0 + 4 e 222 380 etot -8.9028E+01 mv 1 51 101 155 0 + 4 e 361 369 etot -9.0745E+01 mv 1 51 191 22 0 + 4 e 449 344 etot -7.5033E+01 mv 1 51 145 -95 0 + 4 e 358 372 etot -8.6354E+01 mv 1 51 197 83 0 + 4 e 246 381 etot -8.8558E+01 mv 1 51 135 -3 0 + 4 e 167 383 etot -8.8558E+01 mv 1 51 135 -57 0 + 4 e 206 384 etot -8.8557E+01 mv 1 51 135 -38 0 + 4 e 134 386 etot -8.8173E+01 mv 1 51 117 134 0 + 4 e 296 371 etot -8.6462E+01 mv 1 51 197 -94 0 + 4 e 272 373 etot -8.5371E+01 mv 1 51 197 -34 0 + 4 e 282 374 etot -8.7482E+01 mv 1 51 197 195 0 + 4 e 224 390 etot -6.7180E+01 mv 1 51 117 97 0 + 4 e 91 406 etot -8.4552E+01 mv 0 51 75 0 0 c 75 1.5 0.0 + 4 e 577 337 etot -8.0705E+01 mv 1 51 134 -17 0 + 4 e 112 403 etot -8.8574E+01 mv 0 51 59 0 0 c 59 0.5 0.0 + 4 e 123 404 etot -9.0901E+01 mv 0 51 68 0 0 c 68 3.3 0.0 + 4 e 22 414 etot -9.0761E+01 mv 0 51 191 0 0 c 191 0.0 0.0 + 4 e 395 379 etot -8.3168E+01 mv 1 51 101 -166 0 + 4 e 10 416 etot -8.9028E+01 mv 0 51 101 0 0 c 101 0.0 0.0 + 4 e 2 417 etot -8.8558E+01 mv 0 51 135 0 0 + 4 e 15 415 etot -8.9188E+01 mv 0 51 197 0 0 +## N0 total= 21 close= 15 far= 0 %acc 71.4 +## N1 total= 99 close= 2 far= 1 %acc 3.0 +## N2 total= 100 close= 2 far= 0 %acc 2.0 +## N3 total= 0 close= 0 far= 0 %acc 0.0 +## N4 total= 0 close= 0 far= 0 %acc 0.0 +## N5 total= 0 close= 0 far= 0 %acc 0.0 +## N6 total= 200 close= 19 far= 0 %acc 9.5 +## N7 total= 0 close= 0 far= 0 %acc 0.0 +## N8 total= 0 close= 0 far= 0 %acc 0.0 +## N9 total= 0 close= 0 far= 0 %acc 0.0 +##N10 total= 0 close= 0 far= 0 %acc 0.0 +##N11 total= 0 close= 0 far= 0 %acc 0.0 +##N12 total= 0 close= 0 far= 0 %acc 0.0 +##N13 total= 0 close= 0 far= 0 %acc 0.0 +##N14 total= 0 close= 0 far= 0 %acc 0.0 +##N15 total= 0 close= 0 far= 0 %acc 0.0 +##N16 total= 0 close= 0 far= 0 %acc 0.0 +##N17 total= 0 close= 0 far= 0 %acc 0.0 +##N18 total= 0 close= 0 far= 0 %acc 0.0 + Time for refresh 52 0.31 + make_var : nseed= 20 ntry= 420 + Time for make trial 53 0.05 +Nonsetup time 114.11 sec, Eval/s = 56884.56 +Time for iter 53 1.82 sec, Eval/s = 66226.16 + UPDATING 420 + 4 e 264 391 etot -8.7813E+01 mv 1 51 91 40 0 + 4 e 23 418 etot -8.8173E+01 mv 0 51 117 0 0 c 117 0.0 0.0 + 4 e 656 400 etot -8.2131E+01 mv 1 51 178 -1 0 + 4 e 412 401 etot -8.4830E+01 mv 0 51 16 0 0 + 4 e 126 412 etot -8.8505E+01 mv 0 51 200 0 0 c 200 1.3 0.0 + 4 e 437 393 etot -8.6461E+01 mv 1 51 91 164 0 + 4 e 301 396 etot -8.7659E+01 mv 1 51 178 193 0 + 4 e 264 392 etot -8.1118E+01 mv 1 51 91 -56 0 + 4 e 14 420 etot -8.7680E+01 mv 0 51 178 0 0 c 178 0.0 0.0 + 4 e 148 411 etot -8.5712E+01 mv 0 51 177 0 0 c 177 1.6 0.0 + -1 e 1 2 etot 1.3528E+20 mv 6 52 16 119 0 + 4 e 322 398 etot -8.0863E+01 mv 1 51 178 62 0 + 4 e 294 388 etot -8.8173E+01 mv 1 51 117 -187 0 + -1 e 1 4 etot 1.3528E+20 mv 6 52 16 42 0 + 4 e 250 397 etot -8.7614E+01 mv 1 51 178 173 0 + 4 e 458 395 etot -8.7481E+01 mv 1 51 91 -142 0 + -1 e 1 8 etot 1.3528E+20 mv 6 52 16 173 0 + 4 e 540 375 etot -8.9185E+01 mv 1 51 197 157 0 + 4 e 445 385 etot -8.1283E+01 mv 1 51 135 -76 0 + 4 e 705 394 etot -8.2003E+01 mv 1 51 91 15 0 + 4 e 599 387 etot -8.6517E+01 mv 1 51 117 132 0 + 4 e 77 419 etot -8.7814E+01 mv 0 51 91 0 0 c 91 0.1 0.0 + -1 e 1 15 etot 1.3528E+20 mv 6 52 72 15 0 + 4 e 486 355 etot -8.5710E+01 mv 1 51 177 -29 0 + 4 e 206 389 etot -8.8172E+01 mv 1 51 117 -95 0 + 4 e 152 413 etot -8.6798E+01 mv 0 51 134 0 0 + 4 e 372 376 etot -8.9026E+01 mv 1 51 101 -175 0 + 4 e 148 402 etot -8.5761E+01 mv 0 51 24 0 0 c 24 1.1 0.0 + 4 e 286 399 etot -8.7680E+01 mv 1 51 178 29 0 + 4 e 152 408 etot -8.6798E+01 mv 0 51 134 0 0 + 4 e 102 410 etot -8.6648E+01 mv 0 51 164 0 0 c 164 0.3 0.0 + 4 e 342 378 etot -8.9026E+01 mv 1 51 101 -179 0 + 4 e 112 409 etot -8.4766E+01 mv 0 51 145 0 0 c 145 1.2 0.0 + 4 e 120 407 etot -8.8364E+01 mv 0 51 126 0 0 c 126 0.6 0.0 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-1 e 1 54 etot 1.3528E+20 mv 6 52 191 37 0 + 4 e 317 35 etot -8.6959E+01 mv 6 52 134 68 0 c 134 1.3 0.0 + 4 e 349 29 etot -8.2290E+01 mv 6 52 110 105 0 + 4 e 332 24 etot -8.6424E+01 mv 6 52 110 105 0 + 4 e 158 41 etot -8.4410E+01 mv 6 52 1 123 0 + 4 e 217 38 etot -8.5210E+01 mv 6 52 134 109 0 + 4 e 396 26 etot -8.5692E+01 mv 6 52 110 134 0 + 4 e 260 39 etot -7.3141E+01 mv 6 52 134 51 0 + 4 e 430 33 etot -7.6263E+01 mv 6 52 134 157 0 + 4 e 422 18 etot -7.7839E+01 mv 6 52 72 47 0 + 4 e 420 23 etot -8.0740E+01 mv 6 52 110 67 0 + 4 e 239 48 etot -8.4409E+01 mv 6 52 1 142 0 + 4 e 156 50 etot -8.2831E+01 mv 6 52 1 50 0 + 4 e 438 37 etot -8.2480E+01 mv 6 52 134 164 0 + 4 e 249 42 etot -8.7772E+01 mv 6 52 1 150 0 + 4 e 210 47 etot -8.4985E+01 mv 6 52 1 137 0 c 165 125.0 0.0 + 4 e 211 51 etot -7.2996E+01 mv 6 52 191 27 0 + 4 e 538 19 etot -7.5485E+01 mv 6 52 72 16 0 + -1 e 1 73 etot 1.3528E+20 mv 6 52 65 152 0 + 4 e 334 40 etot -8.6190E+01 mv 6 52 134 84 0 + 4 e 564 7 etot -8.5777E+01 mv 6 52 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0.0 +## N5 total= 0 close= 0 far= 0 %acc 0.0 +## N6 total= 200 close= 17 far= 1 %acc 9.0 +## N7 total= 0 close= 0 far= 0 %acc 0.0 +## N8 total= 0 close= 0 far= 0 %acc 0.0 +## N9 total= 0 close= 0 far= 0 %acc 0.0 +##N10 total= 0 close= 0 far= 0 %acc 0.0 +##N11 total= 0 close= 0 far= 0 %acc 0.0 +##N12 total= 0 close= 0 far= 0 %acc 0.0 +##N13 total= 0 close= 0 far= 0 %acc 0.0 +##N14 total= 0 close= 0 far= 0 %acc 0.0 +##N15 total= 0 close= 0 far= 0 %acc 0.0 +##N16 total= 0 close= 0 far= 0 %acc 0.0 +##N17 total= 0 close= 0 far= 0 %acc 0.0 +##N18 total= 0 close= 0 far= 0 %acc 0.0 + Time for refresh 53 0.29 + make_var : nseed= 20 ntry= 420 + Time for make trial 54 0.06 +Nonsetup time 116.02 sec, Eval/s = 57057.12 +Time for iter 54 1.90 sec, Eval/s = 67408.43 + UPDATING 420 + 4 e 265 393 etot -8.7427E+01 mv 1 52 74 -179 0 + 4 e 656 400 etot -8.4659E+01 mv 1 52 176 -18 0 + 4 e 579 374 etot -8.2710E+01 mv 1 52 91 -117 0 + 4 e 147 403 etot -8.6128E+01 mv 0 52 110 0 0 + 4 e 477 399 etot 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-8.7012E+01 mv 1 53 117 -191 0 + 4 e 2 411 etot -8.5636E+01 mv 0 53 52 0 0 + 4 e 230 393 etot -7.4955E+01 mv 1 53 125 44 0 + 4 e 511 369 etot -8.6465E+01 mv 1 53 101 169 0 + 4 e 2 414 etot -8.9028E+01 mv 0 53 101 0 0 + 4 e 10 412 etot -9.0761E+01 mv 0 53 191 0 0 c 191 0.0 0.0 + 4 e 125 402 etot -8.5455E+01 mv 0 53 14 0 0 c 14 0.4 0.0 + 4 e 270 388 etot -8.6333E+01 mv 1 53 61 -75 0 + 4 e 90 403 etot -8.9671E+01 mv 0 53 27 0 0 c 27 0.4 0.0 + 4 e 91 406 etot -8.6424E+01 mv 0 53 110 0 0 c 110 0.9 0.0 +## N0 total= 20 close= 13 far= 0 %acc 65.0 +## N1 total= 100 close= 8 far= 0 %acc 8.0 +## N2 total= 100 close= 3 far= 0 %acc 3.0 +## N3 total= 0 close= 0 far= 0 %acc 0.0 +## N4 total= 0 close= 0 far= 0 %acc 0.0 +## N5 total= 0 close= 0 far= 0 %acc 0.0 +## N6 total= 200 close= 19 far= 2 %acc 10.5 +## N7 total= 0 close= 0 far= 0 %acc 0.0 +## N8 total= 0 close= 0 far= 0 %acc 0.0 +## N9 total= 0 close= 0 far= 0 %acc 0.0 +##N10 total= 0 close= 0 far= 0 %acc 0.0 +##N11 total= 0 close= 0 far= 0 %acc 0.0 +##N12 total= 0 close= 0 far= 0 %acc 0.0 +##N13 total= 0 close= 0 far= 0 %acc 0.0 +##N14 total= 0 close= 0 far= 0 %acc 0.0 +##N15 total= 0 close= 0 far= 0 %acc 0.0 +##N16 total= 0 close= 0 far= 0 %acc 0.0 +##N17 total= 0 close= 0 far= 0 %acc 0.0 +##N18 total= 0 close= 0 far= 0 %acc 0.0 + Time for refresh 54 0.33 + make_var : nseed= 20 ntry= 420 + Time for make trial 55 0.11 +Nonsetup time 117.98 sec, Eval/s = 57143.15 +Time for iter 55 1.96 sec, Eval/s = 62222.76 + UPDATING 420 + 4 e 88 420 etot -8.7959E+01 mv 0 53 137 0 0 c 137 0.6 0.0 + 4 e 111 410 etot -8.4588E+01 mv 0 53 167 0 0 + 4 e 59 413 etot -9.0746E+01 mv 0 53 35 0 0 c 35 0.1 0.0 + 4 e 448 392 etot -7.5817E+01 mv 1 53 125 -95 0 + 4 e 506 384 etot -8.8241E+01 mv 1 53 66 200 0 + 4 e 143 409 etot -8.5084E+01 mv 0 53 145 0 0 + 4 e 436 382 etot -8.3611E+01 mv 1 53 66 -19 0 + 4 e 61 415 etot -8.8574E+01 mv 0 53 59 0 0 + 4 e 148 405 etot -8.5601E+01 mv 0 53 97 0 0 c 97 1.1 0.0 + 4 e 579 383 etot -6.8750E+01 mv 1 53 66 -174 0 + 4 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11 0 + 4 e 328 125 etot -8.4915E+01 mv 6 54 200 140 0 + 4 e 368 75 etot -8.0934E+01 mv 6 54 125 198 0 + 4 e 388 124 etot -8.8194E+01 mv 6 54 200 7 0 + 4 e 556 115 etot -8.0079E+01 mv 6 54 176 75 0 + 4 e 361 128 etot -9.0142E+01 mv 6 54 200 63 0 c 200 97.2 0.1 + 4 e 234 136 etot -8.5148E+01 mv 6 54 50 154 0 c 88 203.3 0.7 + 4 e 244 131 etot -8.7267E+01 mv 6 54 50 191 0 + 4 e 396 108 etot -9.0629E+01 mv 6 54 167 124 0 + -1 e 1 163 etot 1.3528E+20 mv 6 54 37 169 0 + -1 e 1 164 etot 1.3621E+20 mv 6 54 37 181 0 + 4 e 261 143 etot -8.9617E+01 mv 6 54 191 109 0 + 4 e 149 150 etot -8.6632E+01 mv 6 54 191 76 0 + 4 e 300 141 etot -8.4807E+01 mv 6 54 191 50 0 + 4 e 250 135 etot -8.9325E+01 mv 6 54 50 92 0 + 4 e 237 132 etot -8.4946E+01 mv 6 54 50 152 0 + 4 e 318 146 etot -8.4339E+01 mv 6 54 191 69 0 + 4 e 322 144 etot -8.8010E+01 mv 6 54 191 95 0 + 4 e 306 149 etot -8.6257E+01 mv 6 54 191 132 0 + 4 e 483 129 etot -8.9664E+01 mv 6 54 200 165 0 + 4 e 301 155 etot -8.9187E+01 mv 6 54 197 200 0 + 4 e 477 133 etot -8.3825E+01 mv 6 54 50 6 0 + -1 e 1 176 etot 1.3528E+20 mv 6 54 59 12 0 + 4 e 279 114 etot -8.1832E+01 mv 6 54 176 191 0 + -1 e 1 178 etot 1.3528E+20 mv 6 54 59 180 0 + 4 e 261 159 etot -8.8222E+01 mv 6 54 197 18 0 + 4 e 317 156 etot -7.5682E+01 mv 6 54 197 35 0 + 4 e 479 137 etot -8.9213E+01 mv 6 54 50 114 0 + 4 e 287 142 etot -7.6791E+01 mv 6 54 191 33 0 + 4 e 328 138 etot -8.2100E+01 mv 6 54 50 147 0 + 4 e 476 145 etot -8.6760E+01 mv 6 54 191 125 0 + -1 e 1 185 etot 1.3528E+20 mv 6 54 193 160 0 + 4 e 337 158 etot -8.5973E+01 mv 6 54 197 179 0 + -1 e 1 187 etot 1.3528E+20 mv 6 54 193 7 0 + -1 e 1 188 etot 1.3528E+20 mv 6 54 193 77 0 + 4 e 237 166 etot -8.9074E+01 mv 6 54 37 52 0 + -1 e 1 189 etot 1.3528E+20 mv 6 54 193 137 0 + 4 e 485 148 etot -8.3245E+01 mv 6 54 191 21 0 + 4 e 428 89 etot -6.9420E+01 mv 6 54 145 67 0 + 4 e 469 152 etot -9.0273E+01 mv 6 54 197 54 0 + -1 e 1 194 etot 1.3528E+20 mv 6 54 61 106 0 + 4 e 212 174 etot -8.8574E+01 mv 6 54 59 49 0 + -1 e 1 196 etot 1.3528E+20 mv 6 54 61 106 0 + 4 e 246 171 etot -8.4975E+01 mv 6 54 59 83 0 + 4 e 506 154 etot -7.3788E+01 mv 6 54 197 148 0 + 4 e 509 153 etot -7.7530E+01 mv 6 54 197 89 0 + -1 e 1 200 etot 1.3092E+27 mv 6 54 61 60 0 + 4 e 289 172 etot -7.5634E+01 mv 6 54 59 184 0 + 4 e 113 192 etot -8.9945E+01 mv 6 54 61 106 0 c 106 0.6 0.0 + 4 e 299 173 etot -7.2972E+01 mv 6 54 59 92 0 + 4 e 339 168 etot -7.7615E+01 mv 6 54 37 52 0 + 4 e 252 177 etot -8.7634E+01 mv 6 54 59 61 0 + 4 e 131 184 etot -8.5581E+01 mv 6 54 193 26 0 + 4 e 379 157 etot -8.0305E+01 mv 6 54 197 111 0 + 4 e 425 151 etot -7.8448E+01 mv 6 54 197 191 0 + 4 e 520 160 etot -8.8143E+01 mv 6 54 197 25 0 + 4 e 537 161 etot -7.7836E+01 mv 6 54 37 14 0 + 4 e 195 197 etot -7.8647E+01 mv 6 54 61 31 0 + 4 e 522 134 etot -7.6251E+01 mv 6 54 50 187 0 + 4 e 340 181 etot -8.3122E+01 mv 6 54 193 86 0 + 4 e 265 195 etot -8.8083E+01 mv 6 54 61 188 0 + 4 e 407 180 etot -8.2205E+01 mv 6 54 59 134 0 + 4 e 357 165 etot -8.7264E+01 mv 6 54 37 26 0 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etot -6.7205E+01 mv 2 54 52 -28 0 + 4 e 161 213 etot -7.6166E+01 mv 2 54 52 -27 0 + 4 e 506 167 etot -7.5186E+01 mv 6 54 37 147 0 + 4 e 527 190 etot -8.8462E+01 mv 6 54 193 149 0 + 4 e 540 191 etot -7.2802E+01 mv 6 54 61 131 0 + 4 e 266 207 etot -7.7038E+01 mv 2 54 51 -41 0 + 4 e 454 204 etot -8.6474E+01 mv 2 54 45 -110 0 + 4 e 327 214 etot -7.9562E+01 mv 2 54 52 -44 0 + 4 e 334 215 etot -6.3905E+01 mv 2 54 52 -141 0 + 4 e 310 219 etot -7.9520E+01 mv 2 54 75 -135 0 + 4 e 321 209 etot -8.5563E+01 mv 2 54 51 -76 0 + 4 e 229 228 etot -7.4132E+01 mv 2 54 114 -16 0 + 4 e 360 216 etot -7.9650E+01 mv 2 54 75 -55 0 + 4 e 268 226 etot -8.6493E+01 mv 2 54 114 -58 0 + 4 e 444 193 etot -7.7165E+01 mv 6 54 61 136 0 + 4 e 231 223 etot -7.5073E+01 mv 2 54 101 -143 0 + 4 e 320 224 etot -7.2772E+01 mv 2 54 101 -156 0 + 4 e 343 222 etot -6.9873E+01 mv 2 54 101 -24 0 + 4 e 256 218 etot -8.1432E+01 mv 2 54 75 -46 0 + 4 e 154 240 etot -8.8040E+01 mv 2 54 125 -88 0 + 4 e 202 230 etot -8.6493E+01 mv 2 54 114 -197 0 c 114 1.1 0.0 + 4 e 621 206 etot -7.9395E+01 mv 2 54 51 -44 0 + 4 e 127 246 etot -8.8215E+01 mv 2 54 150 -23 0 c 150 2.0 0.0 + 4 e 217 231 etot -8.4375E+01 mv 2 54 118 -170 0 c 118 2.4 0.0 + 4 e 514 183 etot -8.8497E+01 mv 6 54 193 63 0 + 4 e 224 236 etot -8.5621E+01 mv 2 54 125 -42 0 + -1 e 1 263 etot 1.3528E+20 mv 2 54 200 -110 0 + 4 e 342 234 etot -7.8221E+01 mv 2 54 118 -186 0 + 4 e 316 241 etot -8.5692E+01 mv 2 54 145 -17 0 + 4 e 436 227 etot -7.7723E+01 mv 2 54 114 -88 0 + 4 e 306 244 etot -6.6959E+01 mv 2 54 145 -60 0 + 4 e 430 229 etot -8.0164E+01 mv 2 54 114 -85 0 + 4 e 391 233 etot -6.8940E+01 mv 2 54 118 -44 0 + 4 e 232 251 etot -8.4657E+01 mv 2 54 167 -9 0 + 4 e 380 242 etot -8.3323E+01 mv 2 54 145 -59 0 + 4 e 266 249 etot -8.4040E+01 mv 2 54 150 -1 0 + 4 e 423 238 etot -8.5620E+01 mv 2 54 125 -7 0 + 4 e 300 247 etot -7.4412E+01 mv 2 54 150 -29 0 + 4 e 243 255 etot -8.4658E+01 mv 2 54 167 -131 0 c 167 13.0 0.0 + -1 e 1 276 etot 1.3528E+20 mv 2 54 197 154 0 + 4 e 256 254 etot -6.8934E+01 mv 2 54 167 -199 0 + 4 e 319 250 etot -8.0105E+01 mv 2 54 150 -6 0 + 4 e 650 220 etot -8.2660E+01 mv 2 54 75 -87 0 + 4 e 530 232 etot -7.5436E+01 mv 2 54 118 -191 0 + 4 e 398 245 etot -8.2274E+01 mv 2 54 145 -159 0 + 4 e 212 256 etot -6.8180E+01 mv 2 54 176 -99 0 + 4 e 199 267 etot -7.8526E+01 mv 2 54 50 -25 0 + 4 e 311 260 etot -8.2624E+01 mv 2 54 176 -126 0 + 4 e 326 259 etot -8.0647E+01 mv 2 54 176 -49 0 + 4 e 247 253 etot -7.2662E+01 mv 2 54 167 -102 0 + 4 e 181 272 etot -9.0761E+01 mv 2 54 191 14 0 + 4 e 170 275 etot -9.0761E+01 mv 2 54 191 189 0 + -1 e 1 289 etot 1.3528E+20 mv 2 54 59 -80 0 + 4 e 248 269 etot -7.5025E+01 mv 2 54 50 193 0 + 4 e 240 268 etot -8.4675E+01 mv 2 54 50 -193 0 + 4 e 187 273 etot -9.0761E+01 mv 2 54 191 150 0 + 4 e 420 239 etot -7.1998E+01 mv 2 54 125 -52 0 + 4 e 295 266 etot -8.4945E+01 mv 2 54 50 34 0 + 4 e 409 243 etot -7.2101E+01 mv 2 54 145 -68 0 + -1 e 1 296 etot 6.9910E+23 mv 2 54 61 -68 0 + 4 e 140 281 etot -8.9075E+01 mv 2 54 37 57 0 + 4 e 137 282 etot -7.4930E+01 mv 2 54 37 96 0 + 4 e 289 271 etot -8.4322E+01 mv 2 54 191 -158 0 + 4 e 390 248 etot -8.1516E+01 mv 2 54 150 -35 0 + 4 e 298 274 etot -7.1635E+01 mv 2 54 191 126 0 + 4 e 258 278 etot -7.7949E+01 mv 2 54 197 156 0 + 4 e 247 280 etot -7.5347E+01 mv 2 54 197 -29 0 + 4 e 391 270 etot -7.8241E+01 mv 2 54 50 96 0 + 4 e 529 237 etot -8.6150E+01 mv 2 54 125 -174 0 + 4 e 375 257 etot -7.0210E+01 mv 2 54 176 -84 0 + 4 e 204 288 etot -8.8574E+01 mv 2 54 59 163 0 + 4 e 426 252 etot -7.5407E+01 mv 2 54 167 -66 0 + 4 e 500 265 etot -8.6514E+01 mv 2 54 200 -63 0 + 4 e 346 279 etot -7.8872E+01 mv 2 54 197 -45 0 + 4 e 226 290 etot -8.8574E+01 mv 2 54 59 11 0 + 4 e 192 298 etot -8.6610E+01 mv 2 54 61 -138 0 + 4 e 374 277 etot -8.0858E+01 mv 2 54 197 -164 0 + 4 e 305 285 etot -8.5503E+01 mv 2 54 37 -128 0 + 4 e 331 284 etot -5.4623E+01 mv 2 54 37 -189 0 + 4 e 388 264 etot -7.7973E+01 mv 2 54 200 -191 0 + 4 e 186 300 etot -8.8083E+01 mv 2 54 61 -86 0 + 4 e 440 262 etot -8.4915E+01 mv 2 54 200 -20 0 + 4 e 447 261 etot -8.3560E+01 mv 2 54 200 -55 0 + 4 e 308 291 etot -8.8141E+01 mv 2 54 193 11 0 + 4 e 381 286 etot -8.0492E+01 mv 2 54 59 -6 0 + 4 e 126 306 etot -8.5563E+01 mv 1 54 51 -4 0 c 51 1.1 0.0 + 4 e 367 293 etot -8.8141E+01 mv 2 54 193 -197 0 + 4 e 155 313 etot -6.8029E+01 mv 1 54 52 -128 0 + 4 e 264 305 etot -8.7710E+01 mv 1 54 45 -3 0 + 4 e 181 315 etot -7.1803E+01 mv 1 54 52 -185 0 + 4 e 255 308 etot -6.6696E+01 mv 1 54 51 -115 0 + 4 e 550 258 etot -7.4690E+01 mv 2 54 176 -43 0 + 4 e 333 287 etot -7.4546E+01 mv 2 54 59 -82 0 + 4 e 339 304 etot -8.7221E+01 mv 1 54 45 -9 0 + 4 e 500 292 etot -7.9552E+01 mv 2 54 193 16 0 + 4 e 372 303 etot -8.0130E+01 mv 1 54 45 -150 0 + 4 e 490 295 etot -8.3593E+01 mv 2 54 193 -48 0 + 4 e 280 301 etot -8.7788E+01 mv 1 54 45 -116 0 + 4 e 148 319 etot -8.5016E+01 mv 1 54 75 -193 0 c 75 1.0 0.0 + 4 e 339 310 etot -7.1004E+01 mv 1 54 51 -190 0 + 4 e 298 316 etot -7.8398E+01 mv 1 54 75 -3 0 + 4 e 264 324 etot -8.9890E+01 mv 1 54 101 -135 0 c 101 4.0 0.0 + 4 e 181 331 etot -8.4375E+01 mv 1 54 118 -49 0 c 118 1.8 0.0 + 4 e 330 307 etot -7.6912E+01 mv 1 54 51 -103 0 + 4 e 510 283 etot -8.9072E+01 mv 2 54 37 84 0 + 4 e 463 294 etot -8.7443E+01 mv 2 54 193 24 0 + 4 e 266 328 etot -8.5030E+01 mv 1 54 114 -9 0 + 4 e 496 311 etot -7.9776E+01 mv 1 54 52 -3 0 + 4 e 348 325 etot -8.9889E+01 mv 1 54 101 -181 0 + 4 e 526 312 etot -7.8507E+01 mv 1 54 52 -167 0 + 4 e 676 299 etot -8.6970E+01 mv 2 54 61 -10 0 + 4 e 204 330 etot -8.6366E+01 mv 1 54 114 -174 0 + 4 e 338 327 etot -7.5415E+01 mv 1 54 114 -88 0 + 4 e 533 314 etot -8.0814E+01 mv 1 54 52 -142 0 + 4 e 496 318 etot -6.3660E+01 mv 1 54 75 -107 0 + 4 e 172 336 etot -8.8040E+01 mv 1 54 125 -120 0 + 4 e 686 302 etot -8.2165E+01 mv 1 54 45 -46 0 + 4 e 342 320 etot -7.6484E+01 mv 1 54 75 -98 0 + 4 e 369 317 etot -7.4559E+01 mv 1 54 75 -73 0 + 4 e 508 321 etot -8.0962E+01 mv 1 54 101 -82 0 + 4 e 423 309 etot -8.3961E+01 mv 1 54 51 -62 0 + 4 e 341 332 etot -7.9681E+01 mv 1 54 118 -192 0 + 4 e 584 297 etot -7.9103E+01 mv 2 54 61 -40 0 + 4 e 236 340 etot -8.8040E+01 mv 1 54 125 -196 0 + 4 e 583 322 etot -6.8267E+01 mv 1 54 101 -199 0 + 4 e 133 350 etot -8.8215E+01 mv 1 54 150 -42 0 + -1 e 1 362 etot 1.3528E+20 mv 1 54 200 -133 0 + 4 e 382 323 etot -7.9355E+01 mv 1 54 101 -149 0 + 4 e 317 329 etot -8.6493E+01 mv 1 54 114 -10 0 + 4 e 292 335 etot -8.3834E+01 mv 1 54 118 -162 0 + 4 e 168 351 etot -8.4658E+01 mv 1 54 167 -103 0 c 167 10.9 0.0 + 4 e 452 334 etot -7.2707E+01 mv 1 54 118 -69 0 + 4 e 176 354 etot -8.1327E+01 mv 1 54 167 -96 0 + 4 e 264 344 etot -8.3243E+01 mv 1 54 145 -175 0 + 4 e 583 326 etot -8.1139E+01 mv 1 54 114 -38 0 + 4 e 221 352 etot -7.2208E+01 mv 1 54 167 -81 0 + 4 e 245 348 etot -8.8215E+01 mv 1 54 150 -31 0 + 4 e 548 333 etot -8.1909E+01 mv 1 54 118 -185 0 + 4 e 491 337 etot -8.7230E+01 mv 1 54 125 -130 0 c 158 223.4 0.1 + 4 e 399 339 etot -8.8039E+01 mv 1 54 125 -46 0 + -1 e 1 377 etot 1.3528E+20 mv 1 54 197 198 0 + 4 e 212 349 etot -6.7848E+01 mv 1 54 150 -191 0 + 4 e 518 338 etot -7.9489E+01 mv 1 54 125 -96 0 + 4 e 363 345 etot -8.6019E+01 mv 1 54 145 -143 0 c 145 80.3 0.3 + 4 e 107 371 etot -8.9874E+01 mv 1 54 191 38 0 + -1 e 1 382 etot 1.3528E+20 mv 1 54 37 18 0 + 4 e 226 353 etot -7.4037E+01 mv 1 54 167 -47 0 + 4 e 164 368 etot -8.4946E+01 mv 1 54 50 -106 0 + 4 e 142 366 etot -8.4946E+01 mv 1 54 50 54 0 c 50 1.0 0.0 + 4 e 351 341 etot -7.5792E+01 mv 1 54 145 -175 0 + 4 e 181 365 etot -9.0023E+01 mv 1 54 200 -30 0 + 4 e 281 361 etot -9.0023E+01 mv 1 54 200 -92 0 + 4 e 199 372 etot -9.0761E+01 mv 1 54 191 30 0 + 4 e 448 347 etot -7.6164E+01 mv 1 54 150 -129 0 + 4 e 138 381 etot -8.9075E+01 mv 1 54 37 54 0 + 4 e 367 342 etot -8.3315E+01 mv 1 54 145 -128 0 + 4 e 247 374 etot -8.9342E+01 mv 1 54 191 -17 0 + 4 e 455 357 etot -7.6465E+01 mv 1 54 176 -200 0 + 4 e 227 367 etot -7.2031E+01 mv 1 54 50 -135 0 + 4 e 558 346 etot -8.4362E+01 mv 1 54 150 -164 0 + -1 e 1 397 etot 1.3528E+20 mv 1 54 61 133 0 + 4 e 309 370 etot -8.3945E+01 mv 1 54 50 143 0 + 4 e 456 359 etot -8.1666E+01 mv 1 54 176 -5 0 + 4 e 213 380 etot -8.9187E+01 mv 1 54 197 42 0 + 4 e 349 369 etot -7.5303E+01 mv 1 54 50 -159 0 + 4 e 305 360 etot -8.7890E+01 mv 1 54 176 -33 0 c 176 4.4 0.0 + 4 e 348 358 etot -8.7889E+01 mv 1 54 176 -130 0 + 4 e 279 378 etot -8.9187E+01 mv 1 54 197 -157 0 + 4 e 443 364 etot -8.9496E+01 mv 1 54 200 -171 0 + 4 e 145 390 etot -8.7263E+01 mv 1 54 59 -68 0 + 4 e 473 343 etot -7.4447E+01 mv 1 54 145 -160 0 + 4 e 83 402 etot -8.5563E+01 mv 0 54 51 0 0 c 51 0.6 0.0 + 4 e 281 383 etot -8.9074E+01 mv 1 54 37 181 0 + 4 e 373 375 etot -7.9758E+01 mv 1 54 191 193 0 + 4 e 404 373 etot -8.1859E+01 mv 1 54 191 -49 0 + 4 e 65 404 etot -8.5017E+01 mv 0 54 75 0 0 c 75 0.6 0.0 + 4 e 150 401 etot -8.7788E+01 mv 0 54 45 0 0 + 4 e 162 398 etot -8.8083E+01 mv 1 54 61 -6 0 + 4 e 2 415 etot -9.0761E+01 mv 0 54 191 0 0 + 4 e 111 407 etot -8.4375E+01 mv 0 54 118 0 0 c 118 1.5 0.0 + 4 e 10 416 etot -8.9188E+01 mv 0 54 197 0 0 c 197 0.0 0.0 + 4 e 128 405 etot -8.9890E+01 mv 0 54 101 0 0 c 101 0.9 0.0 + 4 e 90 403 etot -8.5824E+01 mv 0 54 52 0 0 c 52 0.8 0.0 +## N0 total= 21 close= 14 far= 0 %acc 66.7 +## N1 total= 99 close= 9 far= 0 %acc 9.1 +## N2 total= 100 close= 6 far= 0 %acc 6.0 +## N3 total= 0 close= 0 far= 0 %acc 0.0 +## N4 total= 0 close= 0 far= 0 %acc 0.0 +## N5 total= 0 close= 0 far= 0 %acc 0.0 +## N6 total= 200 close= 7 far= 3 %acc 5.0 +## N7 total= 0 close= 0 far= 0 %acc 0.0 +## N8 total= 0 close= 0 far= 0 %acc 0.0 +## N9 total= 0 close= 0 far= 0 %acc 0.0 +##N10 total= 0 close= 0 far= 0 %acc 0.0 +##N11 total= 0 close= 0 far= 0 %acc 0.0 +##N12 total= 0 close= 0 far= 0 %acc 0.0 +##N13 total= 0 close= 0 far= 0 %acc 0.0 +##N14 total= 0 close= 0 far= 0 %acc 0.0 +##N15 total= 0 close= 0 far= 0 %acc 0.0 +##N16 total= 0 close= 0 far= 0 %acc 0.0 +##N17 total= 0 close= 0 far= 0 %acc 0.0 +##N18 total= 0 close= 0 far= 0 %acc 0.0 + Time for refresh 55 0.33 + make_var : nseed= 20 ntry= 420 + Time for make trial 56 0.08 +Nonsetup time 119.89 sec, Eval/s = 57249.71 +Time for iter 56 1.91 sec, Eval/s = 63830.90 + UPDATING 420 + 4 e 137 411 etot -8.4658E+01 mv 0 54 167 0 0 c 167 0.7 0.0 + 4 e 119 409 etot -8.5692E+01 mv 0 54 145 0 0 + 4 e 451 385 etot -7.8719E+01 mv 1 54 37 -55 0 + 4 e 585 363 etot -8.9965E+01 mv 1 54 200 -11 0 c 27 142.1 0.3 + 4 e 285 392 etot -8.8437E+01 mv 1 54 193 -154 0 c 193 164.6 0.3 + 4 e 737 391 etot -8.8329E+01 mv 1 54 193 -41 0 + 4 e 83 410 etot -8.8215E+01 mv 0 54 150 0 0 + 4 e 311 400 etot -8.7445E+01 mv 1 54 61 48 0 + 4 e 159 406 etot -8.6493E+01 mv 0 54 114 0 0 + 4 e 700 394 etot -9.1336E+01 mv 1 54 193 8 0 + 4 e 335 399 etot -8.7127E+01 mv 1 54 61 -153 0 + -1 e 1 4 etot 1.3528E+20 mv 6 55 19 124 0 + 4 e 98 414 etot -8.4946E+01 mv 0 54 50 0 0 c 50 0.7 0.0 + 4 e 254 395 etot -8.7811E+01 mv 1 54 193 -50 0 + 4 e 313 389 etot -7.6065E+01 mv 1 54 59 45 0 + 4 e 10 419 etot -8.8143E+01 mv 0 54 193 0 0 + 4 e 457 376 etot -8.6159E+01 mv 1 54 197 -177 0 + 4 e 154 412 etot -8.7891E+01 mv 0 54 176 0 0 c 176 1.9 0.0 + 4 e 14 418 etot -8.8574E+01 mv 0 54 59 0 0 c 59 0.0 0.0 + -1 e 1 12 etot 1.3528E+20 mv 6 55 45 125 0 + 4 e 13 417 etot -8.9075E+01 mv 0 54 37 0 0 c 37 0.0 0.0 + 4 e 425 379 etot -8.8250E+01 mv 1 54 197 32 0 + 4 e 62 408 etot -8.8041E+01 mv 0 54 125 0 0 c 125 0.2 0.0 + -1 e 1 16 etot 1.3528E+20 mv 6 55 45 60 0 + 4 e 464 355 etot -8.4570E+01 mv 1 54 167 -41 0 + 4 e 180 413 etot -9.0023E+01 mv 0 54 200 0 0 c 27 66.0 0.1 + 4 e 284 386 etot -8.8573E+01 mv 1 54 59 23 0 + 4 e 292 388 etot -8.8347E+01 mv 1 54 59 149 0 + 4 e 111 420 etot -8.8083E+01 mv 0 54 61 0 0 + 4 e 256 387 etot -8.8573E+01 mv 1 54 59 189 0 + 4 e 147 396 etot -8.8083E+01 mv 1 54 61 -41 0 + 4 e 246 393 etot -8.8142E+01 mv 1 54 193 19 0 + 4 e 561 384 etot -7.9503E+01 mv 1 54 37 108 0 + 4 e 556 356 etot -8.2174E+01 mv 1 54 176 -5 0 + 4 e 11 5 etot -8.8173E+01 mv 6 55 19 117 0 c 117 0.0 0.0 + 4 e 155 31 etot -7.0716E+01 mv 6 55 88 195 0 + -1 e 1 36 etot 1.3528E+20 mv 6 55 88 33 0 + 4 e 179 30 etot -7.5133E+01 mv 6 55 47 122 0 + 4 e 203 19 etot -8.7827E+01 mv 6 55 45 142 0 + 4 e 215 29 etot -8.7678E+01 mv 6 55 47 91 0 + 4 e 202 26 etot -8.1473E+01 mv 6 55 47 4 0 + 4 e 221 10 etot -8.6493E+01 mv 6 55 19 169 0 + 4 e 227 34 etot -8.7284E+01 mv 6 55 88 160 0 + -1 e 1 43 etot 1.3528E+20 mv 6 55 116 146 0 + 4 e 232 35 etot -7.6311E+01 mv 6 55 88 117 0 + 4 e 244 15 etot -6.9204E+01 mv 6 55 45 63 0 + -1 e 1 45 etot 1.3528E+20 mv 6 55 116 111 0 + 4 e 257 14 etot -8.5401E+01 mv 6 55 45 31 0 c 157 1.8 0.2 + 4 e 262 6 etot -6.9960E+01 mv 6 55 19 21 0 + 4 e 284 28 etot -8.6628E+01 mv 6 55 47 76 0 + 4 e 361 3 etot -8.8402E+01 mv 6 55 19 92 0 + 4 e 358 1 etot -8.9697E+01 mv 6 55 19 95 0 + 4 e 300 32 etot -8.3132E+01 mv 6 55 88 138 0 + 4 e 303 8 etot -8.2734E+01 mv 6 55 19 127 0 + 4 e 317 13 etot -8.9565E+01 mv 6 55 45 84 0 c 145 133.1 3.5 + 4 e 337 22 etot -7.9483E+01 mv 6 55 47 40 0 + 4 e 328 21 etot -7.9071E+01 mv 6 55 47 137 0 + 4 e 361 33 etot -8.5075E+01 mv 6 55 88 47 0 c 47 45.8 0.6 + 4 e 381 27 etot -7.7917E+01 mv 6 55 47 186 0 + -1 e 1 59 etot 1.3528E+20 mv 6 55 145 200 0 + 4 e 380 7 etot -8.3393E+01 mv 6 55 19 190 0 + 4 e 12 58 etot -8.4410E+01 mv 6 55 145 1 0 c 1 0.0 0.0 + 4 e 162 51 etot -6.2547E+01 mv 6 55 145 67 0 + -1 e 1 63 etot 1.3528E+20 mv 6 55 158 84 0 + 4 e 417 9 etot -8.8175E+01 mv 6 55 19 102 0 + 4 e 401 20 etot -8.3590E+01 mv 6 55 45 176 0 + 4 e 546 2 etot -8.5523E+01 mv 6 55 19 16 0 + 4 e 199 39 etot -8.5149E+01 mv 6 55 88 119 0 c 88 3.1 0.0 + 4 e 52 62 etot -8.5060E+01 mv 6 55 158 85 0 c 85 0.2 0.0 + 4 e 435 18 etot -8.3387E+01 mv 6 55 45 84 0 + 4 e 288 37 etot -8.2453E+01 mv 6 55 88 98 0 + 4 e 472 11 etot -8.7943E+01 mv 6 55 45 77 0 + 4 e 452 24 etot -9.2230E+01 mv 6 55 47 145 0 + 4 e 234 44 etot -8.7105E+01 mv 6 55 116 88 0 c 116 166.3 2.4 + -1 e 1 74 etot 1.3528E+20 mv 6 55 200 10 0 + -1 e 1 75 etot 1.3528E+20 mv 6 55 200 35 0 + 4 e 115 60 etot -7.1743E+01 mv 6 55 145 133 0 + 4 e 278 52 etot -8.3913E+01 mv 6 55 145 114 0 + 4 e 14 76 etot -8.4958E+01 mv 6 55 200 161 0 c 161 0.0 0.0 + 4 e 321 38 etot -8.7604E+01 mv 6 55 88 148 0 + 4 e 509 17 etot -8.6326E+01 mv 6 55 45 106 0 + 4 e 353 42 etot -8.3328E+01 mv 6 55 116 35 0 + 4 e 318 40 etot -8.4083E+01 mv 6 55 88 50 0 + 4 e 295 50 etot -8.3563E+01 mv 6 55 116 98 0 + 4 e 322 48 etot -8.4704E+01 mv 6 55 116 184 0 + 4 e 221 66 etot -8.5199E+01 mv 6 55 158 135 0 f 103 290.3 1.0 + 4 e 273 67 etot -8.4496E+01 mv 6 55 158 47 0 + -1 e 1 87 etot 1.3528E+20 mv 6 55 140 124 0 + 4 e 283 53 etot -8.6019E+01 mv 6 55 145 15 0 + 4 e 390 46 etot -8.2140E+01 mv 6 55 116 93 0 + 4 e 248 68 etot -7.9728E+01 mv 6 55 158 28 0 + 4 e 194 71 etot -6.6260E+01 mv 6 55 200 71 0 + 4 e 461 47 etot -8.2293E+01 mv 6 55 116 73 0 + 4 e 346 55 etot -7.9695E+01 mv 6 55 145 188 0 + 4 e 191 80 etot -9.1814E+01 mv 6 55 200 131 0 + 4 e 207 77 etot -9.0142E+01 mv 6 55 200 146 0 c 200 5.3 0.0 + 4 e 351 23 etot -8.3314E+01 mv 6 55 47 93 0 + 4 e 428 41 etot -8.5109E+01 mv 6 55 116 165 0 + 4 e 145 86 etot -7.5370E+01 mv 6 55 140 193 0 + 4 e 315 70 etot -7.9498E+01 mv 6 55 158 105 0 + -1 e 1 100 etot 1.3528E+20 mv 6 55 191 167 0 + -1 e 1 101 etot 1.3528E+20 mv 6 55 101 112 0 + -1 e 1 102 etot 1.3528E+20 mv 6 55 101 18 0 + 4 e 249 73 etot -9.0142E+01 mv 6 55 200 124 0 c 200 0.9 0.0 + 4 e 487 64 etot -8.9667E+01 mv 6 55 158 59 0 + 4 e 581 54 etot -8.8435E+01 mv 6 55 145 44 0 + -1 e 1 106 etot 1.3528E+20 mv 6 55 101 7 0 + -1 e 1 107 etot 1.3528E+20 mv 6 55 101 65 0 + 4 e 417 61 etot -8.5023E+01 mv 6 55 158 80 0 + 4 e 343 56 etot -7.7664E+01 mv 6 55 145 69 0 + 4 e 352 82 etot -7.7251E+01 mv 6 55 140 134 0 + 4 e 547 65 etot -9.0033E+01 mv 6 55 158 73 0 + 4 e 501 57 etot -8.5440E+01 mv 6 55 145 28 0 + 4 e 665 49 etot -8.8662E+01 mv 6 55 116 51 0 + 4 e 472 78 etot -8.8095E+01 mv 6 55 200 13 0 + -1 e 1 115 etot 1.3528E+20 mv 6 55 37 40 0 + 4 e 312 79 etot -9.0109E+01 mv 6 55 200 189 0 + 4 e 418 25 etot -8.4631E+01 mv 6 55 47 125 0 + 4 e 178 103 etot -8.0929E+01 mv 6 55 101 120 0 + 4 e 304 85 etot -8.7769E+01 mv 6 55 140 132 0 + 4 e 563 72 etot -9.0020E+01 mv 6 55 200 27 0 + 4 e 367 88 etot -8.2649E+01 mv 6 55 140 24 0 + 4 e 284 84 etot -8.9261E+01 mv 6 55 140 55 0 + 4 e 298 93 etot -9.0435E+01 mv 6 55 191 33 0 + 4 e 215 89 etot -7.6908E+01 mv 6 55 140 156 0 + 4 e 213 109 etot -8.9890E+01 mv 6 55 101 189 0 + 4 e 334 91 etot -9.0746E+01 mv 6 55 191 74 0 + 4 e 367 83 etot -7.2782E+01 mv 6 55 140 33 0 + 4 e 294 99 etot -9.0760E+01 mv 6 55 191 151 0 + 4 e 394 90 etot -8.1989E+01 mv 6 55 140 94 0 + 4 e 250 95 etot -9.0761E+01 mv 6 55 191 121 0 + -1 e 1 131 etot 1.3528E+20 mv 6 55 13 93 0 + 4 e 249 113 etot -8.2845E+01 mv 6 55 37 19 0 + 4 e 638 81 etot -8.8466E+01 mv 6 55 140 87 0 + 4 e 293 92 etot -8.5733E+01 mv 6 55 191 164 0 + 4 e 289 96 etot -8.6456E+01 mv 6 55 191 163 0 + 4 e 208 122 etot -7.2628E+01 mv 6 55 59 94 0 + 4 e 296 114 etot -7.3254E+01 mv 6 55 37 180 0 + 4 e 243 110 etot -8.9890E+01 mv 6 55 101 122 0 + 4 e 445 105 etot -8.9889E+01 mv 6 55 101 194 0 + 4 e 454 104 etot -8.0529E+01 mv 6 55 101 120 0 + -1 e 1 141 etot 1.3528E+20 mv 6 55 150 14 0 + 4 e 392 112 etot -7.4575E+01 mv 6 55 37 127 0 + 4 e 242 127 etot -8.4730E+01 mv 6 55 59 167 0 c 167 64.5 0.1 + 4 e 315 98 etot -9.0203E+01 mv 6 55 191 9 0 + 4 e 316 119 etot -8.7264E+01 mv 6 55 37 140 0 + -1 e 1 146 etot 1.3528E+20 mv 6 55 150 38 0 + 4 e 259 126 etot -8.5870E+01 mv 6 55 59 157 0 + 4 e 291 124 etot -8.3389E+01 mv 6 55 59 178 0 + 4 e 28 147 etot -8.9161E+01 mv 6 55 150 174 0 c 174 0.0 0.0 + 4 e 563 69 etot -8.0531E+01 mv 6 55 158 178 0 + 4 e 516 108 etot -8.7808E+01 mv 6 55 101 156 0 + -1 e 1 152 etot 5.0510E+33 mv 6 55 193 3 0 + 4 e 195 133 etot -8.4449E+01 mv 6 55 13 47 0 + 4 e 509 111 etot -7.8719E+01 mv 6 55 37 109 0 + 4 e 448 116 etot -7.3615E+01 mv 6 55 37 34 0 + 4 e 144 142 etot -8.8215E+01 mv 6 55 150 167 0 + 4 e 327 129 etot -7.9989E+01 mv 6 55 59 81 0 + 4 e 236 137 etot -7.7180E+01 mv 6 55 13 86 0 + 4 e 698 94 etot -8.2523E+01 mv 6 55 191 123 0 + 4 e 294 128 etot -7.8342E+01 mv 6 55 59 85 0 + 4 e 536 120 etot -8.0379E+01 mv 6 55 37 105 0 + 4 e 535 121 etot -8.5631E+01 mv 6 55 59 24 0 + 4 e 178 145 etot -8.6764E+01 mv 6 55 150 19 0 + 4 e 275 143 etot -7.7651E+01 mv 6 55 150 91 0 + 4 e 285 132 etot -8.3739E+01 mv 6 55 13 163 0 + 4 e 264 144 etot -8.8215E+01 mv 6 55 150 123 0 + 4 e 224 154 etot -8.8142E+01 mv 6 55 193 134 0 + 4 e 189 155 etot -8.6083E+01 mv 6 55 193 75 0 + -1 e 1 169 etot 1.3528E+20 mv 6 55 61 147 0 + 4 e 335 140 etot -8.8589E+01 mv 6 55 13 167 0 + 4 e 226 156 etot -8.3225E+01 mv 6 55 193 86 0 + -1 e 1 172 etot 1.3528E+20 mv 6 55 139 68 0 + 4 e 342 150 etot -8.8214E+01 mv 6 55 150 107 0 + 4 e 396 97 etot -9.1337E+01 mv 6 55 191 135 0 + 4 e 319 136 etot -8.7106E+01 mv 6 55 13 148 0 + 4 e 338 118 etot -8.9074E+01 mv 6 55 37 165 0 + 4 e 444 138 etot -7.9882E+01 mv 6 55 13 93 0 + 4 e 514 134 etot -8.7031E+01 mv 6 55 13 17 0 + 4 e 223 160 etot -8.6525E+01 mv 6 55 193 120 0 + 4 e 603 130 etot -7.7463E+01 mv 6 55 59 28 0 + 4 e 232 151 etot -8.6677E+01 mv 6 55 193 100 0 + -1 e 1 182 etot 1.3528E+20 mv 6 55 91 135 0 + 4 e 461 117 etot -8.4732E+01 mv 6 55 37 21 0 + -1 e 1 183 etot 1.3528E+20 mv 6 55 91 188 0 + 4 e 365 135 etot -8.8826E+01 mv 6 55 13 83 0 + 4 e 488 149 etot -8.2917E+01 mv 6 55 150 185 0 + 4 e 394 139 etot -8.4957E+01 mv 6 55 13 161 0 + 4 e 224 170 etot -8.3398E+01 mv 6 55 61 196 0 + 4 e 133 179 etot -7.8519E+01 mv 6 55 139 107 0 + 4 e 282 163 etot -8.6448E+01 mv 6 55 61 83 0 + 4 e 545 148 etot -8.2299E+01 mv 6 55 150 139 0 + 4 e 315 167 etot -8.8083E+01 mv 6 55 61 68 0 + 4 e 282 161 etot -8.2072E+01 mv 6 55 61 73 0 + 4 e 579 153 etot -8.9145E+01 mv 6 55 193 140 0 + 4 e 580 125 etot -7.9814E+01 mv 6 55 59 126 0 + 4 e 330 173 etot -8.3843E+01 mv 6 55 139 22 0 + 4 e 542 158 etot -8.5566E+01 mv 6 55 193 106 0 + 4 e 653 123 etot -8.8335E+01 mv 6 55 59 193 0 + 4 e 447 162 etot -8.3432E+01 mv 6 55 61 5 0 + 4 e 315 174 etot -8.7899E+01 mv 6 55 139 144 0 + 4 e 304 178 etot -7.6615E+01 mv 6 55 139 79 0 + 4 e 221 177 etot -8.6403E+01 mv 6 55 139 56 0 + 4 e 414 171 etot -9.0579E+01 mv 6 55 139 198 0 + 4 e 208 190 etot -6.8443E+01 mv 6 55 91 63 0 + 4 e 329 166 etot -8.3017E+01 mv 6 55 61 165 0 + 4 e 437 168 etot -8.2718E+01 mv 6 55 61 84 0 + 4 e 593 159 etot -8.5933E+01 mv 6 55 193 55 0 + 4 e 284 175 etot -8.5072E+01 mv 6 55 139 55 0 c 179 227.8 0.8 + 4 e 259 185 etot -8.4378E+01 mv 6 55 91 9 0 + 4 e 169 195 etot -8.4411E+01 mv 6 55 178 122 0 + 4 e 696 157 etot -8.8330E+01 mv 6 55 193 13 0 + 4 e 280 191 etot -7.4869E+01 mv 6 55 178 121 0 + 4 e 265 193 etot -8.1362E+01 mv 6 55 178 189 0 + 4 e 439 181 etot -8.0753E+01 mv 6 55 91 10 0 + 4 e 274 184 etot -8.6168E+01 mv 6 55 91 192 0 + 4 e 341 189 etot -6.9784E+01 mv 6 55 91 54 0 + 4 e 431 164 etot -8.8437E+01 mv 6 55 61 196 0 c 125 192.2 0.4 + -1 e 1 218 etot 1.3528E+20 mv 2 55 88 -40 0 + 4 e 366 192 etot -8.0435E+01 mv 6 55 178 126 0 + 4 e 227 201 etot -8.4446E+01 mv 2 55 19 -79 0 c 19 1.1 0.0 + 4 e 280 188 etot -8.7618E+01 mv 6 55 91 158 0 c 158 57.5 0.4 + 4 e 145 206 etot -8.7827E+01 mv 2 55 45 -190 0 c 45 1.3 0.0 + 4 e 400 176 etot -7.5318E+01 mv 6 55 139 153 0 + 4 e 313 200 etot -8.7659E+01 mv 6 55 178 182 0 + 4 e 351 197 etot -7.9947E+01 mv 6 55 178 169 0 + 4 e 761 165 etot -8.2929E+01 mv 6 55 61 7 0 + 4 e 257 208 etot -8.7162E+01 mv 2 55 45 -87 0 + 4 e 264 196 etot -8.2506E+01 mv 6 55 178 192 0 + 4 e 321 204 etot -8.1594E+01 mv 2 55 19 -116 0 + 4 e 528 187 etot -8.3852E+01 mv 6 55 91 1 0 + 4 e 160 220 etot -8.5149E+01 mv 2 55 88 -47 0 c 88 1.5 0.0 + 4 e 265 213 etot -8.2955E+01 mv 2 55 47 -123 0 + 4 e 404 202 etot -7.2618E+01 mv 2 55 19 -192 0 + 4 e 440 198 etot -7.7672E+01 mv 6 55 178 83 0 + 4 e 698 180 etot -8.7984E+01 mv 6 55 139 126 0 + 4 e 305 211 etot -7.6376E+01 mv 2 55 47 -112 0 + 4 e 291 215 etot -7.9306E+01 mv 2 55 47 -122 0 + 4 e 262 217 etot -7.4909E+01 mv 2 55 88 -50 0 + 4 e 244 210 etot -8.7827E+01 mv 2 55 45 -3 0 + 4 e 322 199 etot -8.1120E+01 mv 6 55 178 179 0 + 4 e 429 207 etot -5.2231E+01 mv 2 55 45 -189 0 + 4 e 423 186 etot -9.2232E+01 mv 6 55 91 6 0 + 4 e 340 214 etot -8.1330E+01 mv 2 55 47 -4 0 + 4 e 447 205 etot -8.0707E+01 mv 2 55 19 -179 0 + 4 e 401 212 etot -7.0425E+01 mv 2 55 47 -58 0 + 4 e 190 231 etot -8.4563E+01 mv 2 55 158 -146 0 + 4 e 226 230 etot -6.8747E+01 mv 2 55 145 -2 0 + 4 e 332 209 etot -6.3943E+01 mv 2 55 45 -152 0 + 4 e 279 216 etot -8.0050E+01 mv 2 55 88 -86 0 + 4 e 349 221 etot -8.5936E+01 mv 2 55 116 -184 0 + -1 e 1 251 etot 1.0316E+22 mv 2 55 101 -116 0 + 4 e 276 219 etot -7.3817E+01 mv 2 55 88 -34 0 + 4 e 321 226 etot -8.6019E+01 mv 2 55 145 -30 0 + 4 e 120 246 etot -9.0761E+01 mv 2 55 191 118 0 + 4 e 269 233 etot -7.6200E+01 mv 2 55 158 -120 0 + 4 e 276 235 etot -8.0425E+01 mv 2 55 158 -101 0 + 4 e 117 252 etot -6.7064E+01 mv 2 55 101 -118 0 + 4 e 390 227 etot -7.8234E+01 mv 2 55 145 -60 0 + 4 e 293 236 etot -7.8567E+01 mv 2 55 200 -162 0 + 4 e 521 194 etot -8.5794E+01 mv 6 55 178 126 0 + 4 e 349 232 etot -7.2699E+01 mv 2 55 158 -169 0 + 4 e 193 241 etot -8.7769E+01 mv 2 55 140 -108 0 + 4 e 351 223 etot -7.1752E+01 mv 2 55 116 -88 0 + 4 e 406 222 etot -7.4566E+01 mv 2 55 116 -100 0 + 4 e 322 245 etot -8.7769E+01 mv 2 55 140 105 0 + 4 e 416 234 etot -8.7618E+01 mv 2 55 158 -183 0 + 4 e 250 240 etot -9.0142E+01 mv 2 55 200 -7 0 + 4 e 265 248 etot -9.0761E+01 mv 2 55 191 24 0 + 4 e 515 228 etot -7.6831E+01 mv 2 55 145 -16 0 + 4 e 385 239 etot -7.8693E+01 mv 2 55 200 -91 0 + 4 e 306 247 etot -8.6474E+01 mv 2 55 191 -19 0 + 4 e 212 256 etot -8.9074E+01 mv 2 55 37 -171 0 + 4 e 594 225 etot -7.9105E+01 mv 2 55 116 -161 0 + 4 e 468 237 etot -7.9359E+01 mv 2 55 200 -6 0 + -1 e 1 275 etot 1.3528E+20 mv 2 55 150 17 0 + 4 e 197 260 etot -8.9075E+01 mv 2 55 37 130 0 + 4 e 229 250 etot -9.0761E+01 mv 2 55 191 -16 0 + 4 e 654 203 etot -7.4120E+01 mv 2 55 19 -39 0 + -1 e 1 279 etot 1.3528E+20 mv 2 55 193 77 0 + 4 e 230 253 etot -8.9890E+01 mv 2 55 101 194 0 + 4 e 117 267 etot -6.6278E+01 mv 2 55 13 -67 0 + 4 e 459 224 etot -8.6428E+01 mv 2 55 116 -196 0 + 4 e 410 229 etot -8.6019E+01 mv 2 55 145 -44 0 + -1 e 1 284 etot 1.3528E+20 mv 2 55 61 121 0 + 4 e 253 258 etot -8.9075E+01 mv 2 55 37 15 0 + 4 e 247 259 etot -8.9074E+01 mv 2 55 37 22 0 + 4 e 489 242 etot -7.9799E+01 mv 2 55 140 153 0 + 4 e 146 266 etot -8.8827E+01 mv 2 55 13 -69 0 + 4 e 325 257 etot -8.5502E+01 mv 2 55 37 142 0 + 4 e 574 238 etot -8.8773E+01 mv 2 55 200 -111 0 + 4 e 150 273 etot -8.8215E+01 mv 2 55 150 -127 0 + -1 e 1 292 etot 1.3528E+20 mv 2 55 91 197 0 + 4 e 240 261 etot -7.3162E+01 mv 2 55 59 103 0 + 4 e 208 271 etot -8.8215E+01 mv 2 55 150 84 0 + 4 e 426 243 etot -7.4867E+01 mv 2 55 140 -194 0 + 4 e 182 268 etot -8.8827E+01 mv 2 55 13 41 0 + -1 e 1 297 etot 1.3528E+20 mv 2 55 178 -46 0 + 4 e 473 255 etot -8.3585E+01 mv 2 55 101 -21 0 + 4 e 495 254 etot -8.8447E+01 mv 2 55 101 -155 0 + 4 e 647 244 etot -8.1508E+01 mv 2 55 140 -93 0 + 4 e 148 278 etot -8.8143E+01 mv 2 55 193 152 0 + 4 e 437 262 etot -7.7702E+01 mv 2 55 59 -189 0 + 4 e 163 290 etot -8.7900E+01 mv 2 55 139 124 0 + 4 e 324 276 etot -8.8142E+01 mv 2 55 193 112 0 + 4 e 370 270 etot -8.3291E+01 mv 2 55 13 -172 0 + 4 e 286 288 etot -8.7900E+01 mv 2 55 139 49 0 + 4 e 298 287 etot -7.1166E+01 mv 2 55 139 115 0 + 4 e 469 249 etot -7.6250E+01 mv 2 55 191 -96 0 + -1 e 1 309 etot 1.3528E+20 mv 1 55 45 -147 0 + 4 e 224 281 etot -8.8083E+01 mv 2 55 61 124 0 + 4 e 324 286 etot -8.7754E+01 mv 2 55 139 150 0 + 4 e 209 295 etot -8.7814E+01 mv 2 55 91 -190 0 + -1 e 1 313 etot 1.3528E+20 mv 1 55 47 -158 0 + 4 e 247 283 etot -8.3474E+01 mv 2 55 61 -86 0 + 4 e 422 274 etot -7.7815E+01 mv 2 55 150 185 0 + 4 e 355 289 etot -8.0550E+01 mv 2 55 139 131 0 + 4 e 254 285 etot -8.8083E+01 mv 2 55 61 193 0 + 4 e 309 291 etot -8.7814E+01 mv 2 55 91 51 0 + 4 e 410 263 etot -8.6115E+01 mv 2 55 59 -67 0 + 4 e 193 304 etot -8.4446E+01 mv 1 55 19 -172 0 + 4 e 252 299 etot -8.4374E+01 mv 2 55 178 -42 0 + 4 e 285 300 etot -8.0864E+01 mv 2 55 178 33 0 + 4 e 368 293 etot -8.1546E+01 mv 2 55 91 20 0 + 4 e 606 269 etot -6.7882E+01 mv 2 55 13 -147 0 + 4 e 595 272 etot -8.4043E+01 mv 2 55 150 77 0 + 4 e 519 282 etot -7.8659E+01 mv 2 55 61 71 0 + 4 e 348 301 etot -7.3073E+01 mv 1 55 19 -91 0 + 4 e 489 264 etot -7.3906E+01 mv 2 55 59 -109 0 + 4 e 550 277 etot -6.9609E+01 mv 2 55 193 -149 0 + 4 e 313 294 etot -8.0962E+01 mv 2 55 91 53 0 + 4 e 295 305 etot -8.2921E+01 mv 1 55 19 -129 0 + -1 e 1 332 etot 1.3528E+20 mv 1 55 158 -16 0 + 4 e 148 320 etot -8.5149E+01 mv 1 55 88 -46 0 + 4 e 318 298 etot -7.3362E+01 mv 2 55 178 76 0 + 4 e 529 265 etot -7.9465E+01 mv 2 55 59 146 0 + 4 e 301 314 etot -7.1005E+01 mv 1 55 47 -189 0 + 4 e 223 311 etot -8.4449E+01 mv 1 55 47 -146 0 + 4 e 158 326 etot -8.6020E+01 mv 1 55 145 -8 0 + 4 e 313 302 etot -8.4316E+01 mv 1 55 19 -118 0 + 4 e 322 317 etot -8.5407E+01 mv 1 55 88 -140 0 c 88 84.2 0.3 + 4 e 288 321 etot -8.4748E+01 mv 1 55 116 -175 0 + 4 e 495 280 etot -8.2596E+01 mv 2 55 193 126 0 + 4 e 322 319 etot -8.5152E+01 mv 1 55 88 -145 0 + -1 e 1 344 etot 1.3528E+20 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0 + 4 e 111 371 etot -8.8215E+01 mv 1 55 150 95 0 c 150 0.9 0.0 + 4 e 293 343 etot -7.1788E+01 mv 1 55 140 107 0 + 4 e 334 351 etot -8.9890E+01 mv 1 55 101 -154 0 + -1 e 1 387 etot 1.3528E+20 mv 1 55 139 -151 0 + 4 e 174 372 etot -8.8215E+01 mv 1 55 150 -171 0 + 4 e 303 358 etot -6.6320E+01 mv 1 55 37 111 0 + 4 e 263 363 etot -8.8573E+01 mv 1 55 59 176 0 + 4 e 423 352 etot -8.0964E+01 mv 1 55 101 176 0 + 4 e 355 357 etot -8.9074E+01 mv 1 55 37 113 0 + 4 e 264 367 etot -8.8722E+01 mv 1 55 13 163 0 + 4 e 251 370 etot -7.0801E+01 mv 1 55 13 134 0 + 4 e 428 338 etot -7.1092E+01 mv 1 55 200 -15 0 + 4 e 300 368 etot -7.4630E+01 mv 1 55 13 55 0 + 4 e 160 378 etot -8.8142E+01 mv 1 55 193 -51 0 + 4 e 218 381 etot -8.8083E+01 mv 1 55 61 -45 0 c 61 3.6 0.0 + 4 e 116 390 etot -8.7901E+01 mv 1 55 139 -154 0 + 4 e 212 369 etot -8.8827E+01 mv 1 55 13 67 0 + 4 e 389 348 etot -7.2726E+01 mv 1 55 191 -117 0 + 4 e 219 386 etot -8.7419E+01 mv 1 55 139 -161 0 + 4 e 183 391 etot -7.1519E+01 mv 1 55 91 -165 0 + 4 e 286 383 etot -8.3931E+01 mv 1 55 61 -44 0 + 4 e 332 379 etot -8.4678E+01 mv 1 55 193 197 0 + 4 e 363 376 etot -8.3514E+01 mv 1 55 193 80 0 + 4 e 78 401 etot -8.4446E+01 mv 0 55 19 0 0 c 19 0.8 0.0 + 4 e 493 360 etot -7.6588E+01 mv 1 55 37 -93 0 + 4 e 500 361 etot -7.8209E+01 mv 1 55 59 184 0 + 4 e 2 410 etot -9.0761E+01 mv 0 55 191 0 0 + 4 e 392 373 etot -8.8214E+01 mv 1 55 150 -90 0 + 4 e 13 412 etot -8.9075E+01 mv 0 55 37 0 0 + 4 e 14 413 etot -8.8574E+01 mv 0 55 59 0 0 + 4 e 22 414 etot -8.8828E+01 mv 0 55 13 0 0 c 13 0.0 0.0 + 4 e 10 416 etot -8.8143E+01 mv 0 55 193 0 0 + 4 e 62 409 etot -8.7770E+01 mv 0 55 140 0 0 c 140 0.2 0.0 + 4 e 62 411 etot -8.9890E+01 mv 0 55 101 0 0 c 101 0.4 0.0 + 4 e 16 417 etot -8.8083E+01 mv 0 55 61 0 0 c 61 3.6 0.0 +## N0 total= 21 close= 12 far= 0 %acc 57.1 +## N1 total= 99 close= 8 far= 0 %acc 8.1 +## N2 total= 100 close= 3 far= 0 %acc 3.0 +## N3 total= 0 close= 0 far= 0 %acc 0.0 +## N4 total= 0 close= 0 far= 0 %acc 0.0 +## N5 total= 0 close= 0 far= 0 %acc 0.0 +## N6 total= 200 close= 16 far= 1 %acc 8.5 +## N7 total= 0 close= 0 far= 0 %acc 0.0 +## N8 total= 0 close= 0 far= 0 %acc 0.0 +## N9 total= 0 close= 0 far= 0 %acc 0.0 +##N10 total= 0 close= 0 far= 0 %acc 0.0 +##N11 total= 0 close= 0 far= 0 %acc 0.0 +##N12 total= 0 close= 0 far= 0 %acc 0.0 +##N13 total= 0 close= 0 far= 0 %acc 0.0 +##N14 total= 0 close= 0 far= 0 %acc 0.0 +##N15 total= 0 close= 0 far= 0 %acc 0.0 +##N16 total= 0 close= 0 far= 0 %acc 0.0 +##N17 total= 0 close= 0 far= 0 %acc 0.0 +##N18 total= 0 close= 0 far= 0 %acc 0.0 + Time for refresh 56 0.32 + make_var : nseed= 20 ntry= 420 + Time for make trial 57 0.06 +Nonsetup time 121.68 sec, Eval/s = 57363.40 +Time for iter 57 1.79 sec, Eval/s = 64966.00 + UPDATING 420 + 4 e 413 382 etot -8.3018E+01 mv 1 55 61 107 0 + 4 e 53 415 etot -8.8216E+01 mv 0 55 150 0 0 c 150 0.7 0.0 + 4 e 142 406 etot -8.6020E+01 mv 0 55 145 0 0 + 4 e 115 404 etot -8.5149E+01 mv 0 55 88 0 0 + 4 e 561 380 etot -8.1374E+01 mv 1 55 193 54 0 + 4 e 377 395 etot -7.4312E+01 mv 1 55 91 136 0 + 4 e 304 393 etot -8.7814E+01 mv 1 55 91 -130 0 + 4 e 328 396 etot -8.7679E+01 mv 1 55 178 -39 0 + -1 e 1 1 etot 1.3528E+20 mv 6 56 27 115 0 + 4 e 163 405 etot -8.4748E+01 mv 0 55 116 0 0 + 4 e 207 398 etot -8.7680E+01 mv 1 55 178 26 0 + -1 e 1 4 etot 1.3528E+20 mv 6 56 27 199 0 + 4 e 377 388 etot -8.7900E+01 mv 1 55 139 97 0 + 4 e 238 392 etot -8.7814E+01 mv 1 55 91 -102 0 + 4 e 220 400 etot -8.7659E+01 mv 1 55 178 68 0 + 4 e 13 419 etot -8.7814E+01 mv 0 55 91 0 0 c 91 0.0 0.0 + 4 e 61 418 etot -8.7901E+01 mv 0 55 139 0 0 c 139 0.2 0.0 + 4 e 163 408 etot -9.0143E+01 mv 0 55 200 0 0 + 4 e 274 407 etot -8.7619E+01 mv 0 55 158 0 0 + -1 e 1 13 etot 1.3528E+20 mv 6 56 47 147 0 + 4 e 285 394 etot -7.5437E+01 mv 1 55 91 137 0 + 4 e 35 420 etot -8.7680E+01 mv 0 55 178 0 0 c 178 0.0 0.0 + 4 e 458 365 etot -8.0125E+01 mv 1 55 59 -65 0 + 4 e 514 355 etot -7.8358E+01 mv 1 55 101 -140 0 + 4 e 371 389 etot -8.5614E+01 mv 1 55 139 93 0 c 14 100.3 0.2 + 4 e 488 397 etot -7.5966E+01 mv 1 55 178 -7 0 + 4 e 180 403 etot -8.4449E+01 mv 0 55 47 0 0 + 4 e 116 402 etot -8.7827E+01 mv 0 55 45 0 0 c 45 0.5 0.0 + 4 e 358 366 etot -7.5425E+01 mv 1 55 13 -73 0 + 4 e 257 385 etot -8.8082E+01 mv 1 55 61 -133 0 + 4 e 550 347 etot -9.0759E+01 mv 1 55 191 -61 0 + 4 e 554 362 etot -8.8572E+01 mv 1 55 59 -181 0 + 4 e 190 399 etot -8.7680E+01 mv 1 55 178 -55 0 + 4 e 345 384 etot -8.7824E+01 mv 1 55 61 -82 0 + 4 e 167 31 etot -8.4803E+01 mv 6 56 103 78 0 + -1 e 1 35 etot 1.3528E+20 mv 6 56 103 166 0 + 4 e 191 32 etot -6.7998E+01 mv 6 56 103 110 0 + -1 e 1 37 etot 1.3528E+20 mv 6 56 103 59 0 + 4 e 180 26 etot -8.5968E+01 mv 6 56 88 38 0 + 4 e 193 20 etot -8.4430E+01 mv 6 56 47 2 0 + 4 e 211 33 etot -8.5199E+01 mv 6 56 103 177 0 c 103 1.4 0.0 + 4 e 214 21 etot -8.4126E+01 mv 6 56 88 135 0 + 4 e 211 11 etot -7.8311E+01 mv 6 56 47 155 0 + 4 e 231 6 etot -9.0022E+01 mv 6 56 27 115 0 + 4 e 226 34 etot -8.6224E+01 mv 6 56 103 191 0 + 4 e 246 30 etot -8.3668E+01 mv 6 56 88 140 0 + 4 e 248 23 etot -8.5387E+01 mv 6 56 88 15 0 + -1 e 1 47 etot 1.3528E+20 mv 6 56 116 185 0 + 4 e 265 2 etot -7.9301E+01 mv 6 56 27 52 0 + 4 e 285 5 etot -8.2345E+01 mv 6 56 27 85 0 + 4 e 298 3 etot -8.7169E+01 mv 6 56 27 188 0 c 130 89.3 0.1 + 4 e 291 12 etot -8.4304E+01 mv 6 56 47 83 0 + 4 e 289 27 etot -8.5387E+01 mv 6 56 88 97 0 + 4 e 302 24 etot -8.4182E+01 mv 6 56 88 52 0 + 4 e 301 14 etot -8.4387E+01 mv 6 56 47 14 0 + 4 e 342 9 etot -8.2666E+01 mv 6 56 27 5 0 + -1 e 1 56 etot 1.3528E+20 mv 6 56 125 71 0 + 4 e 327 28 etot -8.9652E+01 mv 6 56 88 135 0 + 4 e 335 16 etot -8.5076E+01 mv 6 56 47 62 0 c 47 6.5 0.0 + 4 e 346 7 etot -8.8193E+01 mv 6 56 27 105 0 + 4 e 364 8 etot -9.0312E+01 mv 6 56 27 89 0 c 27 63.2 0.3 + 4 e 375 15 etot -7.6463E+01 mv 6 56 47 94 0 + 4 e 352 22 etot -8.4950E+01 mv 6 56 88 43 0 c 43 185.0 0.1 + 4 e 388 10 etot -8.5957E+01 mv 6 56 27 62 0 + 4 e 162 42 etot -8.4831E+01 mv 6 56 116 19 0 + 4 e 398 17 etot -8.5332E+01 mv 6 56 47 175 0 f 151 279.5 1.1 + 4 e 210 36 etot -8.4901E+01 mv 6 56 103 146 0 + 4 e 198 41 etot -7.4667E+01 mv 6 56 116 150 0 + 4 e 412 19 etot -8.5075E+01 mv 6 56 47 159 0 + 4 e 258 49 etot -8.7266E+01 mv 6 56 116 177 0 c 116 120.4 0.2 + 4 e 199 43 etot -8.7104E+01 mv 6 56 116 169 0 + 4 e 188 46 etot -8.5988E+01 mv 6 56 116 114 0 + 4 e 257 39 etot -7.8093E+01 mv 6 56 103 101 0 + 4 e 472 29 etot -7.8443E+01 mv 6 56 88 94 0 + 4 e 507 18 etot -8.4656E+01 mv 6 56 47 167 0 + 4 e 486 25 etot -8.3442E+01 mv 6 56 88 133 0 + -1 e 1 76 etot 1.3528E+20 mv 6 56 157 128 0 + 4 e 257 52 etot -8.8438E+01 mv 6 56 125 14 0 c 125 4.4 0.0 + 4 e 218 53 etot -8.8010E+01 mv 6 56 125 160 0 + 4 e 151 69 etot -7.1132E+01 mv 6 56 145 95 0 + 4 e 184 58 etot -8.8438E+01 mv 6 56 125 90 0 c 125 2.0 0.0 + -1 e 1 81 etot 2.4186E+20 mv 6 56 158 156 0 + 4 e 274 48 etot -8.5302E+01 mv 6 56 116 173 0 + 4 e 332 40 etot -7.8391E+01 mv 6 56 103 156 0 + 4 e 389 44 etot -8.4211E+01 mv 6 56 116 33 0 + 4 e 268 54 etot -7.9184E+01 mv 6 56 125 196 0 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mv 6 56 158 54 0 c 103 17.5 1.3 + 4 e 346 68 etot -8.7826E+01 mv 6 56 145 109 0 + 4 e 387 71 etot -8.0604E+01 mv 6 56 157 7 0 + 4 e 246 82 etot -8.3955E+01 mv 6 56 158 22 0 + 4 e 279 92 etot -7.8632E+01 mv 6 56 167 158 0 + 4 e 401 80 etot -8.3531E+01 mv 6 56 157 170 0 + 4 e 235 83 etot -8.7475E+01 mv 6 56 158 4 0 + 4 e 318 84 etot -8.8589E+01 mv 6 56 158 14 0 + -1 e 1 114 etot 1.3528E+20 mv 6 56 193 125 0 + 4 e 237 86 etot -7.4056E+01 mv 6 56 158 133 0 + 4 e 524 45 etot -8.9411E+01 mv 6 56 116 104 0 + 4 e 268 96 etot -7.8152E+01 mv 6 56 167 87 0 + 4 e 287 95 etot -7.9124E+01 mv 6 56 167 158 0 + 4 e 121 103 etot -7.6608E+01 mv 6 56 179 199 0 + 4 e 39 119 etot -8.6372E+01 mv 6 56 193 31 0 c 31 0.1 0.0 + 4 e 331 94 etot -8.6335E+01 mv 6 56 167 39 0 + 4 e 382 74 etot -8.6371E+01 mv 6 56 157 200 0 + 4 e 407 90 etot -8.4183E+01 mv 6 56 158 64 0 + 4 e 525 78 etot -8.7602E+01 mv 6 56 157 182 0 + -1 e 1 125 etot 1.3528E+20 mv 6 56 200 129 0 + 4 e 308 101 etot -8.3867E+01 mv 6 56 179 170 0 + 4 e 430 87 etot -8.1611E+01 mv 6 56 158 12 0 + 4 e 344 98 etot -6.6312E+01 mv 6 56 167 120 0 + 4 e 490 85 etot -6.7840E+01 mv 6 56 158 97 0 + 4 e 445 67 etot -8.3725E+01 mv 6 56 145 81 0 + 4 e 317 105 etot -8.4551E+01 mv 6 56 179 48 0 + 4 e 175 108 etot -8.3680E+01 mv 6 56 179 78 0 + 4 e 481 93 etot -8.8481E+01 mv 6 56 167 158 0 + 4 e 220 106 etot -6.9264E+01 mv 6 56 179 103 0 + -1 e 1 135 etot 1.3528E+20 mv 6 56 146 123 0 + 4 e 247 109 etot -7.9440E+01 mv 6 56 179 174 0 + 4 e 432 99 etot -8.4668E+01 mv 6 56 167 49 0 + 4 e 368 102 etot -8.3409E+01 mv 6 56 179 77 0 + 4 e 305 100 etot -8.7007E+01 mv 6 56 167 172 0 + 8 e 23 138 etot -6.3987E+01 mv 6 56 146 59 0 + 4 e 227 124 etot -8.4769E+01 mv 6 56 200 138 0 + 4 e 217 129 etot -7.7690E+01 mv 6 56 200 175 0 + 4 e 241 126 etot -7.8949E+01 mv 6 56 200 139 0 + 4 e 334 115 etot -8.1196E+01 mv 6 56 193 58 0 + 4 e 275 110 etot -8.7680E+01 mv 6 56 179 178 0 + 4 e 281 127 etot -9.1400E+01 mv 6 56 200 91 0 c 200 68.7 0.9 + 4 e 250 113 etot -8.3588E+01 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etot 2.3111E+21 mv 1 56 88 -71 0 + 4 e 446 274 etot -8.1034E+01 mv 2 56 191 -176 0 + 4 e 200 287 etot -8.7723E+01 mv 2 56 37 -57 0 + 4 e 462 269 etot -8.4133E+01 mv 2 56 146 -164 0 + 4 e 177 290 etot -8.9075E+01 mv 2 56 37 -34 0 + 4 e 204 298 etot -8.6614E+01 mv 2 56 59 -109 0 + 4 e 440 278 etot -7.8888E+01 mv 2 56 101 104 0 + 4 e 373 283 etot -8.0104E+01 mv 2 56 197 74 0 + 4 e 221 300 etot -7.3162E+01 mv 2 56 59 80 0 + 4 e 241 296 etot -8.8574E+01 mv 2 56 59 188 0 + 4 e 174 306 etot -8.5077E+01 mv 1 56 47 -46 0 c 47 2.7 0.0 + 4 e 265 294 etot -8.8278E+01 mv 2 56 13 127 0 + 4 e 198 308 etot -7.4971E+01 mv 1 56 47 -194 0 + 4 e 393 288 etot -7.4253E+01 mv 2 56 37 163 0 + 4 e 471 281 etot -7.9493E+01 mv 2 56 197 -79 0 + 4 e 344 292 etot -8.8826E+01 mv 2 56 13 48 0 + 4 e 326 295 etot -7.9699E+01 mv 2 56 13 -164 0 + 4 e 233 293 etot -8.8827E+01 mv 2 56 13 -152 0 + 4 e 245 309 etot -8.3610E+01 mv 1 56 47 -140 0 + 4 e 310 305 etot -8.6169E+01 mv 1 56 27 -121 0 + 4 e 209 310 etot -8.5077E+01 mv 1 56 47 -50 0 + -1 e 1 332 etot 1.3528E+20 mv 1 56 145 -181 0 + 4 e 552 284 etot -8.9185E+01 mv 2 56 197 -31 0 + 4 e 289 312 etot -7.2492E+01 mv 1 56 88 -74 0 + 4 e 160 325 etot -8.7105E+01 mv 1 56 116 -23 0 + 4 e 418 304 etot -8.9816E+01 mv 1 56 27 -102 0 + -1 e 1 337 etot 1.3528E+20 mv 1 56 157 -156 0 + 4 e 182 316 etot -8.5199E+01 mv 1 56 103 -91 0 + 4 e 301 302 etot -8.7780E+01 mv 1 56 27 -26 0 + 4 e 236 321 etot -8.7105E+01 mv 1 56 116 -126 0 + 4 e 287 307 etot -8.2521E+01 mv 1 56 47 -57 0 + -1 e 1 342 etot 1.3528E+20 mv 1 56 158 -163 0 + 4 e 225 324 etot -8.7104E+01 mv 1 56 116 -151 0 + 4 e 321 303 etot -8.8174E+01 mv 1 56 27 -62 0 + 4 e 272 323 etot -8.5502E+01 mv 1 56 116 -46 0 + -1 e 1 346 etot 3.1085E+20 mv 1 56 167 -121 0 + 4 e 289 322 etot -8.5624E+01 mv 1 56 116 -88 0 + -1 e 1 347 etot 1.3528E+20 mv 1 56 167 -165 0 + 4 e 368 313 etot -8.3338E+01 mv 1 56 88 -16 0 + 4 e 383 299 etot -8.1592E+01 mv 2 56 59 -105 0 + 4 e 170 331 etot -8.9565E+01 mv 1 56 145 -159 0 c 145 1.1 0.0 + 4 e 257 314 etot -8.5408E+01 mv 1 56 88 -83 0 c 88 2.6 0.0 + 4 e 465 286 etot -8.0398E+01 mv 2 56 37 -188 0 + 4 e 276 326 etot -8.4326E+01 mv 1 56 125 -147 0 + 4 e 345 320 etot -8.5269E+01 mv 1 56 103 -17 0 + 4 e 401 315 etot -7.8000E+01 mv 1 56 88 -104 0 + 4 e 314 327 etot -7.5365E+01 mv 1 56 125 -169 0 + 4 e 669 263 etot -8.0258E+01 mv 2 56 200 -70 0 + 4 e 488 289 etot -8.6440E+01 mv 2 56 37 -59 0 + 4 e 479 317 etot -6.7968E+01 mv 1 56 103 -83 0 + 4 e 187 333 etot -8.5007E+01 mv 1 56 145 -42 0 + 4 e 477 319 etot -9.0296E+01 mv 1 56 103 -123 0 + 4 e 422 330 etot -8.8438E+01 mv 1 56 125 -64 0 + 4 e 146 358 etot -7.8941E+01 mv 1 56 193 -3 0 + 4 e 242 344 etot -8.2056E+01 mv 1 56 158 -128 0 + 4 e 259 341 etot -8.8482E+01 mv 1 56 158 -23 0 + 4 e 323 336 etot -7.0250E+01 mv 1 56 157 -82 0 + 4 e 350 334 etot -8.4092E+01 mv 1 56 145 -71 0 + 4 e 555 318 etot -8.3759E+01 mv 1 56 103 -16 0 + -1 e 1 370 etot 1.3528E+20 mv 1 56 146 174 0 + 4 e 218 355 etot -8.5072E+01 mv 1 56 179 -175 0 c 179 1.8 0.0 + 4 e 393 335 etot -8.4412E+01 mv 1 56 145 -155 0 + 4 e 507 328 etot -8.3564E+01 mv 1 56 125 -23 0 + 4 e 275 350 etot -8.3951E+01 mv 1 56 167 -185 0 + 4 e 327 348 etot -8.3763E+01 mv 1 56 167 -97 0 + 4 e 277 339 etot -8.2529E+01 mv 1 56 157 -185 0 + -1 e 1 377 etot 8.3823E+23 mv 1 56 101 -129 0 + 4 e 243 351 etot -8.5072E+01 mv 1 56 179 -148 0 + 4 e 188 366 etot -7.2681E+01 mv 1 56 146 -72 0 + 4 e 290 345 etot -8.5801E+01 mv 1 56 158 -9 0 + 4 e 271 361 etot -9.0450E+01 mv 1 56 200 -83 0 c 27 100.1 0.1 + 4 e 172 371 etot -9.0761E+01 mv 1 56 191 -60 0 + 4 e 500 338 etot -8.2604E+01 mv 1 56 157 -172 0 + 4 e 654 301 etot -8.1093E+01 mv 1 56 27 -145 0 + 4 e 169 373 etot -9.0761E+01 mv 1 56 191 -165 0 + 4 e 428 352 etot -7.9609E+01 mv 1 56 179 -184 0 + 4 e 241 368 etot -8.5941E+01 mv 1 56 146 -49 0 + 4 e 279 365 etot -9.0507E+01 mv 1 56 200 -59 0 c 27 68.2 0.1 + 4 e 429 357 etot -8.4332E+01 mv 1 56 193 -182 0 + 4 e 388 340 etot -8.0914E+01 mv 1 56 157 -62 0 + 4 e 268 372 etot -7.9426E+01 mv 1 56 191 -198 0 + 4 e 300 369 etot -8.5942E+01 mv 1 56 146 54 0 + 4 e 262 374 etot -9.0761E+01 mv 1 56 191 -128 0 + 4 e 419 343 etot -7.9415E+01 mv 1 56 158 -67 0 + 4 e 530 356 etot -8.1586E+01 mv 1 56 193 -131 0 + 4 e 376 364 etot -8.7904E+01 mv 1 56 200 -110 0 + 4 e 343 359 etot -8.2500E+01 mv 1 56 193 -119 0 + 4 e 601 349 etot -8.3428E+01 mv 1 56 167 -154 0 + 4 e 214 380 etot -8.9890E+01 mv 1 56 101 110 0 + 4 e 414 367 etot -8.5941E+01 mv 1 56 146 -8 0 + 4 e 499 363 etot -8.5036E+01 mv 1 56 200 -88 0 + 4 e 387 360 etot -8.7162E+01 mv 1 56 193 -66 0 + 4 e 408 375 etot -7.5837E+01 mv 1 56 191 -6 0 + 4 e 379 362 etot -7.7511E+01 mv 1 56 200 -151 0 + 4 e 232 379 etot -6.9795E+01 mv 1 56 101 125 0 + 4 e 643 329 etot -8.2323E+01 mv 1 56 125 -66 0 + 4 e 210 393 etot -8.7395E+01 mv 1 56 13 -185 0 + 4 e 104 401 etot -9.0023E+01 mv 0 56 27 0 0 + 4 e 288 387 etot -8.9074E+01 mv 1 56 37 114 0 + 4 e 504 354 etot -8.5071E+01 mv 1 56 179 -62 0 + 4 e 82 404 etot -8.5199E+01 mv 0 56 103 0 0 + 4 e 202 396 etot -8.8574E+01 mv 1 56 59 40 0 + 4 e 195 397 etot -8.8574E+01 mv 1 56 59 121 0 + 4 e 287 378 etot -8.5052E+01 mv 1 56 101 153 0 + 4 e 2 415 etot -9.0761E+01 mv 0 56 191 0 0 + 4 e 522 353 etot -8.4595E+01 mv 1 56 179 -3 0 + 4 e 10 416 etot -8.9890E+01 mv 0 56 101 0 0 c 101 0.0 0.0 + 4 e 249 385 etot -8.9187E+01 mv 1 56 197 -35 0 + 4 e 12 417 etot -8.9188E+01 mv 0 56 197 0 0 c 197 0.0 0.0 +## N0 total= 16 close= 7 far= 0 %acc 43.8 +## N1 total= 104 close= 7 far= 0 %acc 6.7 +## N2 total= 100 close= 3 far= 0 %acc 3.0 +## N3 total= 0 close= 0 far= 0 %acc 0.0 +## N4 total= 0 close= 0 far= 0 %acc 0.0 +## N5 total= 0 close= 0 far= 0 %acc 0.0 +## N6 total= 200 close= 17 far= 1 %acc 9.0 +## N7 total= 0 close= 0 far= 0 %acc 0.0 +## N8 total= 0 close= 0 far= 0 %acc 0.0 +## N9 total= 0 close= 0 far= 0 %acc 0.0 +##N10 total= 0 close= 0 far= 0 %acc 0.0 +##N11 total= 0 close= 0 far= 0 %acc 0.0 +##N12 total= 0 close= 0 far= 0 %acc 0.0 +##N13 total= 0 close= 0 far= 0 %acc 0.0 +##N14 total= 0 close= 0 far= 0 %acc 0.0 +##N15 total= 0 close= 0 far= 0 %acc 0.0 +##N16 total= 0 close= 0 far= 0 %acc 0.0 +##N17 total= 0 close= 0 far= 0 %acc 0.0 +##N18 total= 0 close= 0 far= 0 %acc 0.0 + Time for refresh 57 0.35 + make_var : nseed= 20 ntry= 420 + Time for make trial 58 0.07 +Nonsetup time 123.62 sec, Eval/s = 57446.02 +Time for iter 58 1.93 sec, Eval/s = 62645.01 + UPDATING 420 + 4 e 80 408 etot -8.5401E+01 mv 0 56 157 0 0 c 157 0.6 0.0 + 4 e 512 400 etot -7.8252E+01 mv 1 56 59 155 0 + 4 e 450 382 etot -7.5267E+01 mv 1 56 197 -86 0 + 4 e 316 392 etot -8.8827E+01 mv 1 56 13 -57 0 + 4 e 425 384 etot -7.9554E+01 mv 1 56 197 -143 0 + 4 e 151 412 etot -8.8438E+01 mv 0 56 193 0 0 c 193 2.2 0.0 + 4 e 695 383 etot -5.9867E+01 mv 1 56 197 -165 0 + 4 e 619 386 etot -8.1311E+01 mv 1 56 37 -1 0 + 4 e 59 414 etot -8.5942E+01 mv 0 56 146 0 0 c 146 0.3 0.0 + 4 e 122 409 etot -8.8483E+01 mv 0 56 158 0 0 c 158 0.9 0.0 + 4 e 349 390 etot -8.9074E+01 mv 1 56 37 184 0 + 4 e 459 389 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total= 24 close= 18 far= 0 %acc 75.0 +## N1 total= 96 close= 4 far= 0 %acc 4.2 +## N2 total= 100 close= 0 far= 0 %acc 0.0 +## N3 total= 0 close= 0 far= 0 %acc 0.0 +## N4 total= 0 close= 0 far= 0 %acc 0.0 +## N5 total= 0 close= 0 far= 0 %acc 0.0 +## N6 total= 200 close= 14 far= 1 %acc 7.5 +## N7 total= 0 close= 0 far= 0 %acc 0.0 +## N8 total= 0 close= 0 far= 0 %acc 0.0 +## N9 total= 0 close= 0 far= 0 %acc 0.0 +##N10 total= 0 close= 0 far= 0 %acc 0.0 +##N11 total= 0 close= 0 far= 0 %acc 0.0 +##N12 total= 0 close= 0 far= 0 %acc 0.0 +##N13 total= 0 close= 0 far= 0 %acc 0.0 +##N14 total= 0 close= 0 far= 0 %acc 0.0 +##N15 total= 0 close= 0 far= 0 %acc 0.0 +##N16 total= 0 close= 0 far= 0 %acc 0.0 +##N17 total= 0 close= 0 far= 0 %acc 0.0 +##N18 total= 0 close= 0 far= 0 %acc 0.0 + Time for refresh 58 0.26 + make_var : nseed= 20 ntry= 420 + Time for make trial 59 0.09 +Nonsetup time 125.49 sec, Eval/s = 57588.47 +Time for iter 59 1.87 sec, Eval/s = 66999.85 + UPDATING 420 + 4 e 125 403 etot 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158 -188 0 + 4 e 2 412 etot -8.9075E+01 mv 0 58 37 0 0 + 4 e 2 413 etot -8.8828E+01 mv 0 58 13 0 0 + 4 e 268 372 etot -7.6413E+01 mv 1 58 150 100 0 + 4 e 15 410 etot -8.9261E+01 mv 0 58 66 0 0 c 66 0.0 0.0 + 4 e 12 414 etot -8.8574E+01 mv 0 58 59 0 0 c 59 0.0 0.0 + 4 e 10 416 etot -8.8083E+01 mv 0 58 61 0 0 c 61 0.0 0.0 + 4 e 500 366 etot -8.8571E+01 mv 1 58 59 13 0 + 4 e 51 407 etot -9.0747E+01 mv 0 58 92 0 0 c 92 0.3 0.0 +## N0 total= 21 close= 14 far= 0 %acc 66.7 +## N1 total= 99 close= 0 far= 0 %acc 0.0 +## N2 total= 100 close= 1 far= 0 %acc 1.0 +## N3 total= 0 close= 0 far= 0 %acc 0.0 +## N4 total= 0 close= 0 far= 0 %acc 0.0 +## N5 total= 0 close= 0 far= 0 %acc 0.0 +## N6 total= 200 close= 16 far= 1 %acc 8.5 +## N7 total= 0 close= 0 far= 0 %acc 0.0 +## N8 total= 0 close= 0 far= 0 %acc 0.0 +## N9 total= 0 close= 0 far= 0 %acc 0.0 +##N10 total= 0 close= 0 far= 0 %acc 0.0 +##N11 total= 0 close= 0 far= 0 %acc 0.0 +##N12 total= 0 close= 0 far= 0 %acc 0.0 +##N13 total= 0 close= 0 far= 0 %acc 0.0 +##N14 total= 0 close= 0 far= 0 %acc 0.0 +##N15 total= 0 close= 0 far= 0 %acc 0.0 +##N16 total= 0 close= 0 far= 0 %acc 0.0 +##N17 total= 0 close= 0 far= 0 %acc 0.0 +##N18 total= 0 close= 0 far= 0 %acc 0.0 + Time for refresh 59 0.29 + make_var : nseed= 20 ntry= 420 + Time for make trial 60 0.07 +Nonsetup time 127.33 sec, Eval/s = 57694.34 +Time for iter 60 1.84 sec, Eval/s = 64899.80 + UPDATING 420 + 4 e 320 394 etot -7.6914E+01 mv 1 58 178 -31 0 + 4 e 14 417 etot -8.7959E+01 mv 0 58 137 0 0 c 137 0.0 0.0 + 4 e 193 400 etot -8.5848E+01 mv 1 58 33 -86 0 + 4 e 288 395 etot -8.7680E+01 mv 1 58 178 -32 0 + 4 e 301 388 etot -8.8482E+01 mv 1 58 158 45 0 + 4 e 52 411 etot -8.9945E+01 mv 0 58 106 0 0 c 106 0.1 0.0 + 4 e 33 420 etot -9.0337E+01 mv 0 58 33 0 0 c 33 0.1 0.0 + 4 e 224 396 etot -9.0337E+01 mv 1 58 33 -59 0 + -1 e 1 1 etot 1.3528E+20 mv 6 59 4 180 0 + 4 e 49 418 etot -8.8483E+01 mv 0 58 158 0 0 c 158 0.1 0.0 + 4 e 471 386 etot -8.8405E+01 mv 1 58 158 -17 0 + 4 e 72 405 etot 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369 etot -8.9944E+01 mv 1 59 106 -131 0 + 4 e 168 386 etot -8.9075E+01 mv 1 59 37 125 0 + 4 e 267 377 etot -9.0235E+01 mv 1 59 6 -105 0 + 4 e 264 380 etot -9.0745E+01 mv 1 59 6 -129 0 + 4 e 232 375 etot -8.9889E+01 mv 1 59 101 53 0 + 4 e 318 364 etot -7.2723E+01 mv 1 59 196 -138 0 + 4 e 76 402 etot -8.6397E+01 mv 0 59 8 0 0 + 4 e 171 393 etot -8.8574E+01 mv 1 59 59 -134 0 + 4 e 343 363 etot -8.1418E+01 mv 1 59 196 -21 0 + 4 e 91 403 etot -8.8871E+01 mv 0 59 13 0 0 c 13 0.8 0.0 + 4 e 323 384 etot -8.9231E+01 mv 1 59 65 185 0 + 4 e 103 404 etot -8.6134E+01 mv 0 59 14 0 0 c 14 1.2 0.0 + 4 e 70 407 etot -8.6857E+01 mv 0 59 114 0 0 c 114 0.7 0.0 + 4 e 687 323 etot -8.6540E+01 mv 1 59 48 -23 0 c 48 52.8 0.1 + 4 e 277 391 etot -8.8573E+01 mv 1 59 59 168 0 + 4 e 138 401 etot -8.6954E+01 mv 0 59 4 0 0 c 4 1.3 0.0 + 4 e 2 415 etot -8.9890E+01 mv 0 59 101 0 0 + 4 e 317 388 etot -8.9074E+01 mv 1 59 37 -123 0 + 4 e 2 416 etot -9.0235E+01 mv 0 59 6 0 0 + 4 e 2 418 etot -8.9075E+01 mv 0 59 37 0 0 +## N0 total= 18 close= 11 far= 0 %acc 61.1 +## N1 total= 102 close= 2 far= 0 %acc 2.0 +## N2 total= 100 close= 7 far= 0 %acc 7.0 +## N3 total= 0 close= 0 far= 0 %acc 0.0 +## N4 total= 0 close= 0 far= 0 %acc 0.0 +## N5 total= 0 close= 0 far= 0 %acc 0.0 +## N6 total= 200 close= 20 far= 0 %acc 10.0 +## N7 total= 0 close= 0 far= 0 %acc 0.0 +## N8 total= 0 close= 0 far= 0 %acc 0.0 +## N9 total= 0 close= 0 far= 0 %acc 0.0 +##N10 total= 0 close= 0 far= 0 %acc 0.0 +##N11 total= 0 close= 0 far= 0 %acc 0.0 +##N12 total= 0 close= 0 far= 0 %acc 0.0 +##N13 total= 0 close= 0 far= 0 %acc 0.0 +##N14 total= 0 close= 0 far= 0 %acc 0.0 +##N15 total= 0 close= 0 far= 0 %acc 0.0 +##N16 total= 0 close= 0 far= 0 %acc 0.0 +##N17 total= 0 close= 0 far= 0 %acc 0.0 +##N18 total= 0 close= 0 far= 0 %acc 0.0 + Time for refresh 60 0.30 + make_var : nseed= 20 ntry= 420 + Time for make trial 61 0.07 +Nonsetup time 129.46 sec, Eval/s = 57697.00 +Time for iter 61 2.13 sec, Eval/s = 57856.47 + UPDATING 420 + 4 e 539 383 etot -8.9719E+01 mv 1 59 65 -24 0 + 4 e 705 358 etot -7.7231E+01 mv 1 59 188 -158 0 + 4 e 99 411 etot -8.5691E+01 mv 0 59 175 0 0 c 175 0.6 0.0 + 4 e 557 387 etot -8.6441E+01 mv 1 59 37 -66 0 + 4 e 305 389 etot -8.9074E+01 mv 1 59 37 1 0 + 4 e 207 413 etot -8.5450E+01 mv 0 59 196 0 0 c 196 1.5 0.0 + 4 e 2 420 etot -8.8225E+01 mv 0 59 142 0 0 + 4 e 451 394 etot -7.2133E+01 mv 1 59 59 -18 0 + 4 e 54 412 etot -8.6003E+01 mv 0 59 188 0 0 c 188 0.6 0.0 + 4 e 56 417 etot -8.9231E+01 mv 0 59 65 0 0 c 65 0.2 0.0 + 4 e 458 397 etot -8.8223E+01 mv 1 59 142 -173 0 + 4 e 612 374 etot -7.9931E+01 mv 1 59 101 -96 0 + 4 e 644 399 etot -7.7391E+01 mv 1 59 142 -150 0 + 4 e 546 395 etot -8.6114E+01 mv 1 59 59 141 0 + 4 e 181 410 etot -8.5501E+01 mv 0 59 165 0 0 + 4 e 495 400 etot -8.5070E+01 mv 1 59 142 -34 0 + 4 e 415 390 etot -8.9246E+01 mv 1 59 37 157 0 + 4 e 101 408 etot -8.9602E+01 mv 0 59 115 0 0 c 115 0.5 0.0 + -1 e 1 11 etot 1.3528E+20 mv 6 60 24 110 0 + 4 e 626 398 etot -8.2479E+01 mv 1 59 142 -113 0 + 4 e 302 385 etot -8.9231E+01 mv 1 59 65 98 0 + 4 e 102 405 etot -8.5763E+01 mv 0 59 48 0 0 + 4 e 117 406 etot -8.5677E+01 mv 0 59 56 0 0 c 56 0.6 0.0 + 4 e 548 371 etot -8.3585E+01 mv 1 59 101 195 0 + 4 e 440 392 etot -8.0237E+01 mv 1 59 59 -69 0 + 4 e 10 419 etot -8.8574E+01 mv 0 59 59 0 0 c 59 0.0 0.0 + 4 e 168 409 etot -8.9547E+01 mv 0 59 124 0 0 c 124 2.6 0.0 + 4 e 499 379 etot -7.8041E+01 mv 1 59 6 -66 0 + 4 e 296 381 etot -8.9231E+01 mv 1 59 65 162 0 + 4 e 52 414 etot -8.9945E+01 mv 0 59 106 0 0 + 4 e 412 367 etot -8.6828E+01 mv 1 59 106 12 0 + 4 e 387 396 etot -8.6233E+01 mv 1 59 142 190 0 + 4 e 51 2 etot -8.6857E+01 mv 6 60 8 114 0 c 114 0.3 0.0 + 4 e 78 15 etot -8.5561E+01 mv 6 60 24 165 0 c 165 0.8 0.0 + 4 e 144 17 etot -6.8534E+01 mv 6 60 24 65 0 + 4 e 152 30 etot -7.2702E+01 mv 6 60 48 146 0 + 4 e 157 3 etot -8.7211E+01 mv 6 60 8 62 0 + 4 e 160 1 etot -7.9862E+01 mv 6 60 8 99 0 + 4 e 222 4 etot -7.5775E+01 mv 6 60 8 140 0 + 4 e 217 7 etot -8.3451E+01 mv 6 60 8 63 0 + -1 e 1 40 etot 1.3528E+20 mv 6 60 119 57 0 + 4 e 235 9 etot -7.8627E+01 mv 6 60 8 150 0 + 4 e 223 14 etot -8.5842E+01 mv 6 60 24 159 0 c 24 3.9 0.0 + 4 e 242 27 etot -8.6987E+01 mv 6 60 48 176 0 + 4 e 241 5 etot -8.4763E+01 mv 6 60 8 38 0 + 4 e 172 34 etot -8.9262E+01 mv 6 60 119 103 0 + 4 e 257 24 etot -8.6987E+01 mv 6 60 48 108 0 + 4 e 243 10 etot -9.2031E+01 mv 6 60 8 6 0 + -1 e 1 48 etot 1.3528E+20 mv 6 60 165 129 0 + 4 e 254 21 etot -8.2319E+01 mv 6 60 48 155 0 + 4 e 262 32 etot -9.0287E+01 mv 6 60 119 95 0 + 4 e 247 16 etot -6.8966E+01 mv 6 60 24 107 0 + 4 e 267 13 etot -8.5109E+01 mv 6 60 24 183 0 + 4 e 273 31 etot -8.6011E+01 mv 6 60 119 169 0 c 119 1.5 0.0 + 4 e 310 23 etot -8.5860E+01 mv 6 60 48 39 0 c 39 42.9 0.2 + 4 e 307 8 etot -7.0277E+01 mv 6 60 8 35 0 + 4 e 317 28 etot -8.6543E+01 mv 6 60 48 135 0 c 48 8.3 0.0 + -1 e 1 57 etot 1.3528E+20 mv 6 60 17 197 0 + 4 e 328 12 etot -8.5287E+01 mv 6 60 24 20 0 + 4 e 324 29 etot -7.7896E+01 mv 6 60 48 161 0 + 4 e 330 25 etot -8.6319E+01 mv 6 60 48 130 0 + 4 e 309 33 etot -8.1273E+01 mv 6 60 119 107 0 + 4 e 315 6 etot -8.4554E+01 mv 6 60 8 176 0 + 4 e 347 22 etot -8.6429E+01 mv 6 60 48 43 0 + 4 e 271 37 etot -7.9962E+01 mv 6 60 119 156 0 + 4 e 275 38 etot -8.4983E+01 mv 6 60 119 191 0 + -1 e 1 66 etot 1.3528E+20 mv 6 60 101 175 0 + 4 e 378 26 etot -7.7903E+01 mv 6 60 48 166 0 + 4 e 261 35 etot -8.6010E+01 mv 6 60 119 150 0 + -1 e 1 69 etot 1.3528E+20 mv 6 60 101 17 0 + 4 e 390 18 etot -8.0904E+01 mv 6 60 24 98 0 + 4 e 524 20 etot -8.7150E+01 mv 6 60 24 193 0 + 4 e 251 41 etot -8.6734E+01 mv 6 60 165 133 0 + 4 e 241 44 etot -8.2492E+01 mv 6 60 165 50 0 + -1 e 1 74 etot 1.3528E+20 mv 6 60 197 190 0 + 4 e 344 36 etot -7.5457E+01 mv 6 60 119 111 0 + 4 e 12 76 etot -8.4906E+01 mv 6 60 197 22 0 c 22 0.0 0.0 + 4 e 281 62 etot -8.6481E+01 mv 6 60 101 80 0 + 4 e 241 52 etot -9.2231E+01 mv 6 60 17 178 0 + -1 e 1 79 etot 1.3528E+20 mv 6 60 197 53 0 + 4 e 306 42 etot -8.4985E+01 mv 6 60 165 63 0 + 4 e 220 60 etot -9.2233E+01 mv 6 60 17 9 0 + 4 e 285 45 etot -8.5560E+01 mv 6 60 165 131 0 + 4 e 238 70 etot -8.9890E+01 mv 6 60 101 54 0 + 4 e 378 43 etot -8.1128E+01 mv 6 60 165 43 0 + -1 e 1 85 etot 1.3528E+20 mv 6 60 59 26 0 + 4 e 278 47 etot -8.4782E+01 mv 6 60 165 62 0 + -1 e 1 87 etot 1.3528E+20 mv 6 60 59 185 0 + 4 e 340 39 etot -8.6010E+01 mv 6 60 119 100 0 + 4 e 325 59 etot -7.5166E+01 mv 6 60 17 31 0 + 4 e 327 51 etot -8.7058E+01 mv 6 60 17 132 0 + 4 e 300 56 etot -9.1404E+01 mv 6 60 17 18 0 c 200 129.0 0.0 + 4 e 274 63 etot -7.3210E+01 mv 6 60 101 181 0 + 4 e 326 65 etot -7.9045E+01 mv 6 60 101 88 0 + 4 e 295 61 etot -7.8131E+01 mv 6 60 101 19 0 + 4 e 201 72 etot -8.6499E+01 mv 6 60 197 111 0 + 4 e 341 67 etot -7.7754E+01 mv 6 60 101 162 0 + 4 e 635 19 etot -8.3885E+01 mv 6 60 24 198 0 + 4 e 410 49 etot -8.1219E+01 mv 6 60 165 141 0 + 4 e 453 53 etot -8.3557E+01 mv 6 60 17 59 0 + 4 e 485 46 etot -8.6185E+01 mv 6 60 165 48 0 + 4 e 252 71 etot -8.9187E+01 mv 6 60 197 88 0 + 4 e 10 102 etot -8.4958E+01 mv 6 60 65 161 0 c 161 0.0 0.0 + 4 e 211 81 etot -7.7173E+01 mv 6 60 59 188 0 + 4 e 223 55 etot -9.0745E+01 mv 6 60 17 127 0 + 4 e 187 90 etot -8.8574E+01 mv 6 60 59 19 0 + 4 e 440 54 etot -9.1458E+01 mv 6 60 17 28 0 + 4 e 53 106 etot -8.4973E+01 mv 6 60 65 40 0 c 40 0.2 0.0 + 4 e 221 94 etot -8.8266E+01 mv 6 60 135 9 0 + 4 e 250 92 etot -8.5334E+01 mv 6 60 135 151 0 + 4 e 230 96 etot -8.8557E+01 mv 6 60 135 200 0 + 4 e 233 97 etot -9.0745E+01 mv 6 60 135 82 0 + -1 e 1 111 etot 1.3528E+20 mv 6 60 150 90 0 + 4 e 376 78 etot -8.7002E+01 mv 6 60 197 78 0 + 4 e 321 86 etot -8.6577E+01 mv 6 60 59 151 0 + 4 e 477 58 etot -8.5838E+01 mv 6 60 17 44 0 + 4 e 266 77 etot -8.6710E+01 mv 6 60 197 128 0 + -1 e 1 117 etot 1.3528E+20 mv 6 60 150 19 0 + 4 e 295 83 etot -8.5638E+01 mv 6 60 59 134 0 + 4 e 333 80 etot -8.1747E+01 mv 6 60 197 71 0 + 4 e 507 50 etot -9.0073E+01 mv 6 60 165 33 0 + -1 e 1 121 etot 2.4891E+21 mv 6 60 37 13 0 + 4 e 460 68 etot -8.4391E+01 mv 6 60 101 73 0 f 55 307.7 0.0 + 4 e 272 101 etot -8.3288E+01 mv 6 60 65 182 0 + 4 e 328 89 etot -8.5636E+01 mv 6 60 59 68 0 + 4 e 235 95 etot -7.7807E+01 mv 6 60 135 76 0 + -1 e 1 126 etot 1.3528E+20 mv 6 60 37 164 0 + 4 e 242 104 etot -8.3855E+01 mv 6 60 65 184 0 + 4 e 121 107 etot -8.4665E+01 mv 6 60 65 189 0 + 4 e 446 84 etot -8.4518E+01 mv 6 60 59 131 0 + -1 e 1 130 etot 1.3528E+20 mv 6 60 37 58 0 + 4 e 290 88 etot -8.3440E+01 mv 6 60 59 14 0 + 4 e 500 73 etot -8.0926E+01 mv 6 60 197 118 0 + 4 e 147 119 etot -8.8215E+01 mv 6 60 150 49 0 + 4 e 208 113 etot -8.7007E+01 mv 6 60 150 172 0 + 4 e 236 112 etot -7.4626E+01 mv 6 60 150 83 0 + 4 e 223 114 etot -8.7772E+01 mv 6 60 150 74 0 + -1 e 1 137 etot 1.3528E+20 mv 6 60 54 75 0 + 4 e 453 98 etot -8.9696E+01 mv 6 60 135 143 0 + 4 e 441 100 etot -7.2572E+01 mv 6 60 135 82 0 + 4 e 397 103 etot -8.7215E+01 mv 6 60 65 23 0 c 199 122.2 0.9 + -1 e 1 141 etot 1.3528E+20 mv 6 60 125 105 0 + 4 e 301 110 etot -8.3175E+01 mv 6 60 65 182 0 + 4 e 429 82 etot -9.0792E+01 mv 6 60 59 127 0 + 4 e 488 93 etot -8.9043E+01 mv 6 60 135 66 0 + 4 e 207 125 etot -8.9075E+01 mv 6 60 37 77 0 + 4 e 243 120 etot -8.9248E+01 mv 6 60 150 42 0 + 4 e 524 99 etot -7.1560E+01 mv 6 60 135 112 0 + 4 e 407 108 etot -8.8879E+01 mv 6 60 65 58 0 + 4 e 179 122 etot -8.9075E+01 mv 6 60 37 168 0 + 4 e 216 133 etot -8.5952E+01 mv 6 60 54 81 0 + 4 e 316 124 etot -8.2847E+01 mv 6 60 37 112 0 + 4 e 318 128 etot -8.9073E+01 mv 6 60 37 157 0 + 4 e 437 115 etot -8.3448E+01 mv 6 60 150 72 0 + 4 e 304 116 etot -8.2133E+01 mv 6 60 150 26 0 + 4 e 624 75 etot -8.0212E+01 mv 6 60 197 37 0 + 4 e 30 155 etot -8.5017E+01 mv 6 60 98 75 0 c 75 0.0 0.0 + -1 e 1 157 etot 1.3528E+20 mv 6 60 98 158 0 + 4 e 285 136 etot -8.3961E+01 mv 6 60 54 16 0 + 4 e 544 91 etot -8.0512E+01 mv 6 60 135 190 0 + -1 e 1 160 etot 1.3528E+20 mv 6 60 98 37 0 + 4 e 206 147 etot -8.7144E+01 mv 6 60 125 31 0 + 4 e 307 135 etot -8.2452E+01 mv 6 60 54 58 0 + -1 e 1 162 etot 1.3528E+20 mv 6 60 142 179 0 + -1 e 1 164 etot 1.3528E+20 mv 6 60 142 105 0 + 4 e 289 142 etot -8.6715E+01 mv 6 60 125 188 0 + 4 e 613 109 etot -8.5031E+01 mv 6 60 65 66 0 + 4 e 392 134 etot -8.1482E+01 mv 6 60 54 95 0 + 4 e 301 143 etot -8.8285E+01 mv 6 60 125 167 0 + 4 e 325 140 etot -8.3767E+01 mv 6 60 54 49 0 + 4 e 232 148 etot -8.8438E+01 mv 6 60 125 91 0 + 4 e 512 131 etot -8.1457E+01 mv 6 60 54 131 0 + -1 e 1 172 etot 1.3528E+20 mv 6 60 91 117 0 + 4 e 407 139 etot -7.8002E+01 mv 6 60 54 112 0 + 4 e 263 153 etot -8.5259E+01 mv 6 60 98 71 0 + 4 e 291 144 etot -8.7144E+01 mv 6 60 125 174 0 + 4 e 321 151 etot -7.4250E+01 mv 6 60 98 189 0 + 4 e 440 127 etot -8.2495E+01 mv 6 60 37 187 0 + 4 e 494 138 etot -8.3393E+01 mv 6 60 54 82 0 + 4 e 451 145 etot -8.4378E+01 mv 6 60 125 32 0 + 4 e 410 129 etot -7.3822E+01 mv 6 60 37 34 0 + 4 e 145 174 etot -7.1651E+01 mv 6 60 91 144 0 + -1 e 1 181 etot 1.3528E+20 mv 6 60 178 147 0 + -1 e 1 183 etot 1.3530E+20 mv 6 60 178 7 0 + 4 e 223 167 etot -8.3306E+01 mv 6 60 142 49 0 + 4 e 479 146 etot -9.0642E+01 mv 6 60 125 89 0 + 4 e 480 118 etot -8.6922E+01 mv 6 60 150 104 0 + 4 e 508 64 etot -8.7856E+01 mv 6 60 101 109 0 + 4 e 425 152 etot -8.1265E+01 mv 6 60 98 113 0 + 4 e 258 156 etot -8.3689E+01 mv 6 60 98 51 0 + -1 e 1 190 etot 1.3528E+20 mv 6 60 178 119 0 + -1 e 1 191 etot 1.3528E+20 mv 6 60 73 150 0 + 4 e 521 149 etot -8.2246E+01 mv 6 60 125 168 0 + -1 e 1 193 etot 1.3528E+20 mv 6 60 73 34 0 + 4 e 288 171 etot -8.7677E+01 mv 6 60 91 116 0 + 4 e 445 132 etot -8.2704E+01 mv 6 60 54 174 0 + 4 e 73 189 etot -8.8439E+01 mv 6 60 178 125 0 c 125 0.3 0.0 + 4 e 137 186 etot -6.7931E+01 mv 6 60 178 83 0 + 4 e 387 165 etot -7.8086E+01 mv 6 60 142 2 0 + -1 e 1 199 etot 1.3528E+20 mv 6 60 73 153 0 + 4 e 593 123 etot -8.4792E+01 mv 6 60 37 92 0 + 4 e 299 161 etot -9.2233E+01 mv 6 60 142 82 0 + 4 e 265 175 etot -8.5964E+01 mv 6 60 91 128 0 + 4 e 367 170 etot -8.1994E+01 mv 6 60 142 73 0 + 4 e 210 185 etot -8.4410E+01 mv 6 60 178 136 0 + 4 e 456 163 etot -8.1752E+01 mv 6 60 142 144 0 + 4 e 282 179 etot -8.7052E+01 mv 6 60 91 71 0 + 4 e 381 105 etot -8.4430E+01 mv 6 60 65 148 0 + 4 e 453 168 etot -8.3772E+01 mv 6 60 142 60 0 + 4 e 357 158 etot -8.3017E+01 mv 6 60 98 185 0 + 4 e 315 177 etot -8.5686E+01 mv 6 60 91 129 0 + 4 e 419 150 etot -7.7178E+01 mv 6 60 125 47 0 + 4 e 484 169 etot -6.7788E+01 mv 6 60 142 190 0 + 4 e 275 182 etot -8.4587E+01 mv 6 60 178 20 0 + 4 e 645 154 etot -8.2505E+01 mv 6 60 98 2 0 + 4 e 557 166 etot -7.0907E+01 mv 6 60 142 169 0 + 4 e 584 159 etot -8.5886E+01 mv 6 60 98 190 0 + 4 e 181 200 etot -8.7647E+01 mv 6 60 73 10 0 + 4 e 213 194 etot -7.9636E+01 mv 6 60 73 121 0 + -1 e 1 219 etot 1.3528E+20 mv 2 60 119 -128 0 + 4 e 280 176 etot -7.3774E+01 mv 6 60 91 31 0 + 4 e 500 173 etot -8.7031E+01 mv 6 60 91 104 0 + 4 e 465 180 etot -8.8194E+01 mv 6 60 91 23 0 + 4 e 206 206 etot -8.5842E+01 mv 2 60 24 -198 0 c 24 1.2 0.0 + 4 e 344 178 etot -7.4448E+01 mv 6 60 91 194 0 + 4 e 282 184 etot -7.4864E+01 mv 6 60 178 183 0 + 4 e 363 197 etot -9.0234E+01 mv 6 60 73 174 0 + 4 e 204 188 etot -8.7740E+01 mv 6 60 178 33 0 c 178 39.3 0.1 + 4 e 333 203 etot -7.5126E+01 mv 2 60 8 -98 0 + -1 e 1 229 etot 1.3528E+20 mv 2 60 17 53 0 + 4 e 252 214 etot -7.0725E+01 mv 2 60 48 -18 0 + 4 e 408 195 etot -8.5019E+01 mv 6 60 73 182 0 + 4 e 296 211 etot -8.4478E+01 mv 2 60 48 -195 0 + 4 e 423 198 etot -7.3740E+01 mv 6 60 73 76 0 + 4 e 318 192 etot -8.7647E+01 mv 6 60 73 3 0 + 4 e 369 204 etot -8.0570E+01 mv 2 60 8 -66 0 + 4 e 229 220 etot -8.6011E+01 mv 2 60 119 -67 0 c 119 2.4 0.0 + 4 e 302 196 etot -9.0234E+01 mv 6 60 73 78 0 + 4 e 335 187 etot -7.5277E+01 mv 6 60 178 41 0 + 4 e 281 218 etot -7.1929E+01 mv 2 60 119 -139 0 + 4 e 294 201 etot -8.0570E+01 mv 2 60 8 -106 0 + 4 e 330 213 etot -8.6543E+01 mv 2 60 48 -44 0 + 4 e 387 209 etot -6.7349E+01 mv 2 60 24 -185 0 + 4 e 403 207 etot -8.3492E+01 mv 2 60 24 -64 0 + 4 e 227 223 etot -7.3964E+01 mv 2 60 165 -43 0 + 4 e 335 202 etot -8.5001E+01 mv 2 60 8 -29 0 + 4 e 152 231 etot -7.9661E+01 mv 2 60 101 50 0 + 4 e 472 205 etot -8.0992E+01 mv 2 60 8 -163 0 + 4 e 368 216 etot -6.9074E+01 mv 2 60 119 -110 0 + 4 e 437 215 etot -8.4187E+01 mv 2 60 48 -197 0 + -1 e 1 250 etot 1.3528E+20 mv 2 60 135 92 0 + -1 e 1 251 etot 1.3528E+20 mv 2 60 65 -35 0 + 4 e 315 208 etot -7.4904E+01 mv 2 60 24 -173 0 + 4 e 346 210 etot -8.5436E+01 mv 2 60 24 -183 0 + -1 e 1 254 etot 1.3528E+20 mv 2 60 65 -29 0 + 4 e 179 226 etot -9.2490E+01 mv 2 60 17 150 0 + 4 e 280 230 etot -7.7840E+01 mv 2 60 17 -158 0 + 4 e 484 217 etot -7.9086E+01 mv 2 60 119 -98 0 + 4 e 178 245 etot -7.2306E+01 mv 2 60 59 -118 0 + 4 e 381 224 etot -8.2482E+01 mv 2 60 165 -169 0 + 4 e 323 221 etot -7.7271E+01 mv 2 60 165 -95 0 + 4 e 141 247 etot -8.8558E+01 mv 2 60 135 163 0 + 4 e 221 242 etot -8.8574E+01 mv 2 60 59 73 0 + 4 e 299 233 etot -6.8752E+01 mv 2 60 101 30 0 + 4 e 210 248 etot -8.8557E+01 mv 2 60 135 -30 0 + 4 e 271 243 etot -7.7012E+01 mv 2 60 59 -180 0 + 4 e 347 232 etot -7.9472E+01 mv 2 60 101 -127 0 + 4 e 357 237 etot -8.7742E+01 mv 2 60 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285 etot -8.4273E+01 mv 2 60 142 -20 0 + 4 e 437 294 etot -7.9216E+01 mv 2 60 178 184 0 + 4 e 389 301 etot -8.6694E+01 mv 1 60 8 -196 0 c 8 3.3 0.0 + 4 e 377 307 etot -8.5308E+01 mv 1 60 24 -176 0 + 4 e 206 320 etot -8.6012E+01 mv 1 60 119 -150 0 c 119 1.8 0.0 + 4 e 497 276 etot -7.7951E+01 mv 2 60 98 -177 0 + 4 e 437 284 etot -7.8048E+01 mv 2 60 142 115 0 + 4 e 300 305 etot -8.6695E+01 mv 1 60 8 -19 0 c 8 2.1 0.0 + -1 e 1 336 etot 4.4823E+23 mv 1 60 197 168 0 + 4 e 327 317 etot -7.7226E+01 mv 1 60 119 -86 0 + 4 e 174 321 etot -8.5560E+01 mv 1 60 165 -26 0 + 4 e 396 292 etot -8.0218E+01 mv 2 60 178 46 0 + 4 e 156 331 etot -8.9909E+01 mv 1 60 101 -38 0 c 101 16.4 0.0 + 4 e 487 310 etot -7.3691E+01 mv 1 60 24 -113 0 + 4 e 204 328 etot -9.2490E+01 mv 1 60 17 147 0 + 4 e 476 286 etot -8.5630E+01 mv 2 60 91 50 0 + 4 e 475 309 etot -7.8204E+01 mv 1 60 24 -107 0 + 4 e 460 314 etot -8.6427E+01 mv 1 60 48 -196 0 + -1 e 1 346 etot 1.3528E+20 mv 1 60 135 -4 0 + 4 e 416 318 etot -7.0964E+01 mv 1 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4 e 371 332 etot -8.5981E+01 mv 1 60 101 -187 0 + 4 e 200 348 etot -8.8557E+01 mv 1 60 135 185 0 + 4 e 245 335 etot -7.2117E+01 mv 1 60 101 147 0 + 4 e 681 313 etot -8.4377E+01 mv 1 60 48 -62 0 + 4 e 172 353 etot -8.9231E+01 mv 1 60 65 56 0 + 4 e 558 304 etot -8.5191E+01 mv 1 60 8 -136 0 + 4 e 180 356 etot -8.7421E+01 mv 1 60 150 157 0 + 4 e 150 361 etot -8.9075E+01 mv 1 60 37 84 0 + 4 e 153 364 etot -8.9075E+01 mv 1 60 37 -195 0 + -1 e 1 377 etot 1.3528E+20 mv 1 60 98 -128 0 + 4 e 328 345 etot -7.8208E+01 mv 1 60 59 -109 0 + 4 e 268 340 etot -8.7482E+01 mv 1 60 197 195 0 + 4 e 309 347 etot -8.8557E+01 mv 1 60 135 15 0 + 4 e 358 342 etot -8.7633E+01 mv 1 60 59 183 0 + 4 e 302 339 etot -8.9187E+01 mv 1 60 197 -180 0 + 4 e 315 351 etot -7.8438E+01 mv 1 60 65 -14 0 + -1 e 1 383 etot 1.3528E+20 mv 1 60 142 61 0 + 4 e 174 358 etot -8.8215E+01 mv 1 60 150 -184 0 + 4 e 282 355 etot -8.9230E+01 mv 1 60 65 -11 0 + 4 e 180 370 etot -8.9262E+01 mv 1 60 54 -105 0 + 4 e 353 352 etot -8.8830E+01 mv 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394 etot -8.7679E+01 mv 1 60 178 -9 0 + 4 e 362 384 etot -8.8224E+01 mv 1 60 142 68 0 + 4 e 582 382 etot -8.2479E+01 mv 1 60 142 -169 0 + 4 e 438 378 etot -8.6524E+01 mv 1 60 98 -178 0 + 4 e 471 379 etot -8.1379E+01 mv 1 60 98 193 0 + 4 e 363 391 etot -8.0219E+01 mv 1 60 178 -8 0 + 4 e 316 392 etot -7.9791E+01 mv 1 60 178 -49 0 + 4 e 473 381 etot -8.8223E+01 mv 1 60 142 37 0 + 4 e 250 400 etot -8.7647E+01 mv 1 60 73 58 0 + 4 e 724 388 etot -8.2004E+01 mv 1 60 91 -146 0 + 4 e 385 396 etot -8.8719E+01 mv 1 60 73 -186 0 +## N0 total= 13 close= 9 far= 0 %acc 69.2 +## N1 total= 107 close= 7 far= 0 %acc 6.5 +## N2 total= 100 close= 5 far= 0 %acc 5.0 +## N3 total= 0 close= 0 far= 0 %acc 0.0 +## N4 total= 0 close= 0 far= 0 %acc 0.0 +## N5 total= 0 close= 0 far= 0 %acc 0.0 +## N6 total= 200 close= 14 far= 1 %acc 7.5 +## N7 total= 0 close= 0 far= 0 %acc 0.0 +## N8 total= 0 close= 0 far= 0 %acc 0.0 +## N9 total= 0 close= 0 far= 0 %acc 0.0 +##N10 total= 0 close= 0 far= 0 %acc 0.0 +##N11 total= 0 close= 0 far= 0 %acc 0.0 +##N12 total= 0 close= 0 far= 0 %acc 0.0 +##N13 total= 0 close= 0 far= 0 %acc 0.0 +##N14 total= 0 close= 0 far= 0 %acc 0.0 +##N15 total= 0 close= 0 far= 0 %acc 0.0 +##N16 total= 0 close= 0 far= 0 %acc 0.0 +##N17 total= 0 close= 0 far= 0 %acc 0.0 +##N18 total= 0 close= 0 far= 0 %acc 0.0 + Time for refresh 61 0.51 + make_var : nseed= 20 ntry= 420 + Time for make trial 62 0.23 +Nonsetup time 131.74 sec, Eval/s = 57592.55 +Time for iter 62 2.28 sec, Eval/s = 51664.66 + UPDATING 420 + 4 e 10 409 etot -8.8574E+01 mv 0 60 59 0 0 + 4 e 2 410 etot -8.8558E+01 mv 0 60 135 0 0 + 4 e 56 411 etot -8.9231E+01 mv 0 60 65 0 0 + 4 e 10 412 etot -8.8216E+01 mv 0 60 150 0 0 c 150 0.0 0.0 + 4 e 2 413 etot -8.9075E+01 mv 0 60 37 0 0 + 4 e 14 414 etot -8.9262E+01 mv 0 60 54 0 0 c 54 0.0 0.0 + 4 e 73 415 etot -8.8439E+01 mv 0 60 125 0 0 + 4 e 31 416 etot -8.8279E+01 mv 0 60 98 0 0 c 98 0.1 0.0 + 4 e 2 417 etot -8.8225E+01 mv 0 60 142 0 0 + 4 e 11 418 etot -8.7814E+01 mv 0 60 91 0 0 c 91 0.0 0.0 + 4 e 10 419 etot -8.7680E+01 mv 0 60 178 0 0 + -1 e 1 2 etot 1.3528E+20 mv 6 61 39 111 0 + 4 e 48 420 etot -8.7648E+01 mv 0 60 73 0 0 c 73 0.1 0.0 + 4 e 469 369 etot -8.9261E+01 mv 1 60 54 -103 0 + 4 e 395 375 etot -8.3962E+01 mv 1 60 125 55 0 + 4 e 2 408 etot -8.9188E+01 mv 0 60 197 0 0 + 4 e 396 387 etot -8.7813E+01 mv 1 60 91 79 0 + 4 e 290 390 etot -8.7814E+01 mv 1 60 91 144 0 + -1 e 1 10 etot 1.3528E+20 mv 6 61 39 193 0 + 4 e 452 398 etot -8.8454E+01 mv 1 60 73 178 0 + 4 e 155 402 etot -8.5842E+01 mv 0 60 24 0 0 c 24 0.7 0.0 + 4 e 202 393 etot -8.7680E+01 mv 1 60 178 167 0 + 4 e 205 399 etot -8.7647E+01 mv 1 60 73 23 0 + 4 e 97 401 etot -8.6696E+01 mv 0 60 8 0 0 c 8 1.6 0.0 + 4 e 110 404 etot -8.6012E+01 mv 0 60 119 0 0 c 119 0.5 0.0 + 4 e 523 349 etot -8.1642E+01 mv 1 60 135 -151 0 + -1 e 1 20 etot 1.3528E+20 mv 6 61 43 46 0 + 4 e 447 385 etot -8.8223E+01 mv 1 60 142 163 0 + 4 e 189 403 etot -8.6545E+01 mv 0 60 48 0 0 c 48 1.3 0.0 + 4 e 78 405 etot -8.5561E+01 mv 0 60 165 0 0 + 4 e 254 380 etot -8.8224E+01 mv 1 60 98 61 0 + 4 e 221 386 etot -8.7814E+01 mv 1 60 91 -99 0 + 4 e 2 407 etot -8.9890E+01 mv 0 60 101 0 0 + 4 e 265 395 etot -8.7739E+01 mv 1 60 178 48 0 + -1 e 1 29 etot 1.3528E+20 mv 6 61 50 82 0 + -1 e 1 30 etot 1.3528E+20 mv 6 61 50 143 0 + -1 e 1 21 etot 1.3528E+20 mv 6 61 50 64 0 + 4 e 74 36 etot -8.6096E+01 mv 6 61 55 60 0 c 60 0.4 0.0 + 4 e 105 15 etot -8.6632E+01 mv 6 61 43 76 0 c 76 0.6 0.0 + 4 e 141 28 etot -7.3769E+01 mv 6 61 50 27 0 + 4 e 218 1 etot -8.3696E+01 mv 6 61 39 171 0 + -1 e 1 41 etot 1.3528E+20 mv 6 61 70 124 0 + 4 e 250 5 etot -7.6181E+01 mv 6 61 39 153 0 + -1 e 1 43 etot 1.3528E+20 mv 6 61 70 182 0 + 4 e 261 7 etot -8.1319E+01 mv 6 61 39 128 0 + -1 e 1 45 etot 1.3528E+20 mv 6 61 70 39 0 + 4 e 294 12 etot -7.9627E+01 mv 6 61 43 183 0 + 4 e 263 13 etot -8.4280E+01 mv 6 61 43 21 0 + 4 e 289 9 etot -7.3887E+01 mv 6 61 39 1 0 + 4 e 244 11 etot -8.7772E+01 mv 6 61 43 34 0 + 4 e 329 3 etot -8.5694E+01 mv 6 61 39 86 0 + 4 e 307 17 etot -7.9020E+01 mv 6 61 43 76 0 + -1 e 1 52 etot 1.3528E+20 mv 6 61 101 92 0 + 4 e 318 8 etot -8.5020E+01 mv 6 61 39 192 0 + 4 e 324 19 etot -7.9033E+01 mv 6 61 43 92 0 + 4 e 209 40 etot -8.6632E+01 mv 6 61 55 76 0 + 4 e 357 26 etot -8.7899E+01 mv 6 61 50 183 0 + 4 e 315 6 etot -8.2408E+01 mv 6 61 39 145 0 + 4 e 359 14 etot -7.8965E+01 mv 6 61 43 199 0 + 4 e 369 35 etot -8.3154E+01 mv 6 61 55 9 0 + 4 e 324 37 etot -8.4392E+01 mv 6 61 55 74 0 c 55 5.3 0.0 + 4 e 267 39 etot -8.5931E+01 mv 6 61 55 164 0 + -1 e 1 62 etot 1.3528E+20 mv 6 61 104 95 0 + 4 e 393 16 etot -8.5480E+01 mv 6 61 43 100 0 + 4 e 136 50 etot -8.4541E+01 mv 6 61 70 109 0 + 4 e 435 18 etot -8.1211E+01 mv 6 61 43 149 0 + 4 e 453 4 etot -8.4201E+01 mv 6 61 39 180 0 + 4 e 232 34 etot -8.5771E+01 mv 6 61 55 108 0 + 4 e 225 23 etot -8.5193E+01 mv 6 61 50 134 0 c 50 3.0 0.0 + 4 e 226 32 etot -8.6493E+01 mv 6 61 55 19 0 + 4 e 247 22 etot -7.4952E+01 mv 6 61 50 178 0 + 4 e 240 25 etot -8.5193E+01 mv 6 61 50 197 0 c 50 0.5 0.0 + 4 e 422 42 etot -8.8175E+01 mv 6 61 70 35 0 + 4 e 518 27 etot -8.8282E+01 mv 6 61 50 16 0 + 4 e 301 44 etot -8.6435E+01 mv 6 61 70 41 0 + 4 e 391 51 etot -7.9836E+01 mv 6 61 101 7 0 + 4 e 424 47 etot -7.8423E+01 mv 6 61 70 121 0 + 4 e 203 60 etot -7.2468E+01 mv 6 61 101 194 0 + 4 e 252 53 etot -8.0821E+01 mv 6 61 101 13 0 + 4 e 151 66 etot -7.7800E+01 mv 6 61 104 149 0 + 4 e 262 65 etot -8.9059E+01 mv 6 61 104 41 0 + 4 e 302 31 etot -8.2239E+01 mv 6 61 55 78 0 + 4 e 362 55 etot -7.8702E+01 mv 6 61 101 130 0 + 4 e 181 67 etot -8.9302E+01 mv 6 61 104 187 0 c 104 0.8 0.0 + 4 e 551 38 etot -8.4594E+01 mv 6 61 55 68 0 + 4 e 239 63 etot -8.6458E+01 mv 6 61 104 140 0 + 4 e 338 58 etot -8.9908E+01 mv 6 61 101 92 0 + 4 e 290 57 etot -7.8903E+01 mv 6 61 101 199 0 + 4 e 429 46 etot -8.2007E+01 mv 6 61 70 107 0 + -1 e 1 89 etot 1.3528E+20 mv 6 61 199 185 0 + 4 e 385 49 etot -8.1985E+01 mv 6 61 70 198 0 + 4 e 340 24 etot -8.3904E+01 mv 6 61 50 113 0 + 4 e 197 75 etot -6.8878E+01 mv 6 61 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54 67 0 + 4 e 264 97 etot -8.8426E+01 mv 6 61 115 44 0 + 4 e 260 88 etot -8.5555E+01 mv 6 61 199 90 0 + 4 e 300 95 etot -8.6129E+01 mv 6 61 115 78 0 + 4 e 326 91 etot -9.0746E+01 mv 6 61 115 94 0 + 4 e 216 71 etot -7.3820E+01 mv 6 61 178 36 0 + 4 e 530 79 etot -8.3691E+01 mv 6 61 178 85 0 + 4 e 171 109 etot -8.6297E+01 mv 6 61 54 116 0 + 4 e 208 108 etot -8.8964E+01 mv 6 61 54 156 0 + 4 e 459 86 etot -9.0786E+01 mv 6 61 199 15 0 c 124 120.5 1.2 + 4 e 548 83 etot -7.9962E+01 mv 6 61 199 164 0 + 4 e 344 101 etot -8.2992E+01 mv 6 61 54 75 0 + 4 e 371 99 etot -7.9424E+01 mv 6 61 115 88 0 + 4 e 400 100 etot -8.5843E+01 mv 6 61 115 100 0 + 4 e 669 76 etot -7.7414E+01 mv 6 61 178 45 0 + 4 e 281 68 etot -8.4711E+01 mv 6 61 104 139 0 + 4 e 279 110 etot -8.9261E+01 mv 6 61 54 47 0 + 4 e 733 56 etot -8.3491E+01 mv 6 61 101 74 0 + 4 e 555 93 etot -8.1101E+01 mv 6 61 115 3 0 + 4 e 238 114 etot -6.9687E+01 mv 6 61 197 173 0 + 4 e 324 69 etot -8.9607E+01 mv 6 61 104 106 0 + 4 e 455 103 etot 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mv 2 61 178 -95 0 + 4 e 315 236 etot -7.7875E+01 mv 2 61 178 -200 0 + 4 e 127 267 etot -6.7322E+01 mv 2 61 135 40 0 + 4 e 324 252 etot -8.8731E+01 mv 2 61 54 93 0 + 4 e 337 234 etot -8.4268E+01 mv 2 61 104 -193 0 + 4 e 430 243 etot -7.6391E+01 mv 2 61 199 -93 0 + 4 e 302 259 etot -8.9186E+01 mv 2 61 197 -49 0 + 4 e 198 265 etot -8.8574E+01 mv 2 61 59 -16 0 + -1 e 1 284 etot 1.3528E+20 mv 2 61 150 -177 0 + 4 e 273 263 etot -7.2558E+01 mv 2 61 59 -177 0 + 4 e 298 247 etot -8.0218E+01 mv 2 61 115 176 0 + 4 e 183 270 etot -8.7412E+01 mv 2 61 135 -151 0 + 4 e 520 242 etot -8.3767E+01 mv 2 61 199 -65 0 + 4 e 139 276 etot -8.8279E+01 mv 2 61 98 180 0 + 4 e 417 255 etot -8.5024E+01 mv 2 61 54 44 0 + 4 e 537 223 etot -6.7481E+01 mv 2 61 70 -182 0 + 4 e 499 249 etot -8.4697E+01 mv 2 61 115 -27 0 + 4 e 441 258 etot -8.4916E+01 mv 2 61 197 143 0 + -1 e 1 294 etot 1.3528E+20 mv 2 61 61 152 0 + 4 e 211 266 etot -8.1924E+01 mv 2 61 135 196 0 + -1 e 1 295 etot 3.0953E+20 mv 2 61 61 116 0 + 4 e 303 268 etot -7.6278E+01 mv 2 61 135 54 0 + 4 e 206 279 etot -6.8392E+01 mv 2 61 98 -182 0 + 4 e 177 282 etot -8.8215E+01 mv 2 61 150 180 0 + 4 e 219 280 etot -8.8278E+01 mv 2 61 98 -172 0 + 4 e 321 274 etot -8.6386E+01 mv 2 61 126 -152 0 + 4 e 334 272 etot -8.7320E+01 mv 2 61 126 -118 0 + 4 e 522 261 etot -8.8572E+01 mv 2 61 59 -95 0 + 4 e 194 278 etot -7.0103E+01 mv 2 61 98 160 0 + 4 e 424 248 etot -8.4696E+01 mv 2 61 115 -163 0 + -1 e 1 306 etot 1.3528E+20 mv 1 61 43 -192 0 + 4 e 487 240 etot -8.2234E+01 mv 2 61 178 -139 0 + 4 e 211 277 etot -8.8278E+01 mv 2 61 98 83 0 + 4 e 513 264 etot -8.8573E+01 mv 2 61 59 163 0 + 4 e 319 283 etot -8.0468E+01 mv 2 61 150 84 0 + 4 e 615 260 etot -8.9186E+01 mv 2 61 197 73 0 + 4 e 265 281 etot -7.6413E+01 mv 2 61 150 -8 0 + 4 e 318 271 etot -8.0722E+01 mv 2 61 126 -90 0 + 4 e 299 290 etot -8.8376E+01 mv 2 61 106 -129 0 + 4 e 361 286 etot -7.6190E+01 mv 2 61 106 81 0 + 4 e 371 285 etot -8.8214E+01 mv 2 61 150 -164 0 + 4 e 264 293 etot -8.8082E+01 mv 2 61 61 179 0 + 4 e 217 301 etot -8.4247E+01 mv 1 61 39 -98 0 + 4 e 252 287 etot -8.9944E+01 mv 2 61 106 16 0 + 4 e 218 292 etot -7.1147E+01 mv 2 61 61 -187 0 + 4 e 541 250 etot -8.6568E+01 mv 2 61 115 20 0 + 4 e 327 297 etot -8.9075E+01 mv 2 61 37 177 0 + -1 e 1 323 etot 1.3528E+20 mv 1 61 70 -151 0 + 4 e 376 275 etot -8.8362E+01 mv 2 61 126 -158 0 + 4 e 304 300 etot -8.9074E+01 mv 2 61 37 157 0 + 4 e 571 257 etot -8.7743E+01 mv 2 61 197 127 0 + 4 e 279 302 etot -8.2329E+01 mv 1 61 39 -78 0 + -1 e 1 328 etot 1.3528E+20 mv 1 61 101 -95 0 + 4 e 195 310 etot -8.5481E+01 mv 1 61 43 -153 0 + 4 e 296 303 etot -8.1730E+01 mv 1 61 39 -11 0 + 4 e 653 269 etot -7.8689E+01 mv 2 61 135 8 0 + 4 e 382 298 etot -8.0558E+01 mv 2 61 37 82 0 + 4 e 192 316 etot -8.4393E+01 mv 1 61 55 -25 0 c 55 1.2 0.0 + 4 e 522 289 etot -8.9880E+01 mv 2 61 106 -137 0 + 4 e 504 291 etot -8.1491E+01 mv 2 61 61 -28 0 + 8 e 126 322 etot -6.3999E+01 mv 1 61 70 -147 0 + 4 e 261 305 etot -8.5860E+01 mv 1 61 39 -87 0 + 4 e 562 288 etot -8.5549E+01 mv 2 61 106 -78 0 + 4 e 253 309 etot -8.5420E+01 mv 1 61 43 -171 0 + 4 e 408 304 etot -8.2327E+01 mv 1 61 39 -116 0 + 4 e 287 308 etot -8.2347E+01 mv 1 61 43 -197 0 + 4 e 196 326 etot -8.9909E+01 mv 1 61 101 -27 0 c 101 0.4 0.0 + -1 e 1 343 etot 1.3528E+20 mv 1 61 199 -189 0 + 4 e 375 311 etot -7.7843E+01 mv 1 61 50 -15 0 + 4 e 581 299 etot -8.3726E+01 mv 2 61 37 -77 0 + 4 e 223 329 etot -7.8707E+01 mv 1 61 101 -43 0 + 4 e 416 312 etot -8.2205E+01 mv 1 61 50 -60 0 + 4 e 353 318 etot -8.2033E+01 mv 1 61 55 -60 0 + 4 e 369 315 etot -8.5192E+01 mv 1 61 50 -40 0 + 4 e 237 330 etot -8.9909E+01 mv 1 61 101 -84 0 + 4 e 302 324 etot -7.4448E+01 mv 1 61 70 -143 0 + 4 e 185 336 etot -7.2529E+01 mv 1 61 178 -99 0 + 4 e 393 319 etot -7.2415E+01 mv 1 61 55 -61 0 + 4 e 197 335 etot -8.9060E+01 mv 1 61 104 -96 0 + 4 e 296 314 etot -7.6578E+01 mv 1 61 50 -117 0 + 4 e 467 296 etot -7.9741E+01 mv 2 61 37 -24 0 + 4 e 274 321 etot -8.6436E+01 mv 1 61 70 -140 0 c 70 2.5 0.0 + 4 e 279 332 etot -8.9302E+01 mv 1 61 104 -72 0 + 4 e 336 313 etot -7.8213E+01 mv 1 61 50 -30 0 + -1 e 1 360 etot 1.3528E+20 mv 1 61 197 -188 0 + 4 e 312 333 etot -6.7803E+01 mv 1 61 104 -181 0 + -1 e 1 362 etot 1.3528E+20 mv 1 61 59 41 0 + 4 e 499 317 etot -8.2593E+01 mv 1 61 55 -86 0 + 4 e 274 339 etot -8.7739E+01 mv 1 61 178 -33 0 + -1 e 1 365 etot 1.3528E+20 mv 1 61 59 41 0 + 4 e 303 327 etot -8.6958E+01 mv 1 61 101 -181 0 + 4 e 351 320 etot -8.3136E+01 mv 1 61 55 -83 0 + 4 e 292 341 etot -8.7216E+01 mv 1 61 199 -5 0 c 199 3.9 0.0 + 4 e 216 348 etot -8.9602E+01 mv 1 61 115 -140 0 + 4 e 159 355 etot -8.9262E+01 mv 1 61 54 77 0 + 4 e 228 340 etot -7.7042E+01 mv 1 61 178 -93 0 + 4 e 395 334 etot -8.4069E+01 mv 1 61 104 -1 0 + 4 e 240 347 etot -7.3555E+01 mv 1 61 115 -126 0 + 4 e 199 353 etot -8.9262E+01 mv 1 61 54 167 0 + 4 e 252 349 etot -8.9602E+01 mv 1 61 115 -131 0 + 4 e 234 351 etot -8.9262E+01 mv 1 61 54 158 0 + 4 e 529 307 etot -7.9136E+01 mv 1 61 43 -5 0 + 4 e 245 352 etot -8.9195E+01 mv 1 61 54 59 0 + 4 e 479 331 etot -8.3363E+01 mv 1 61 104 -129 0 + 4 e 339 345 etot -8.7216E+01 mv 1 61 199 -101 0 + 4 e 231 354 etot -8.9200E+01 mv 1 61 54 126 0 + 4 e 277 350 etot -8.9602E+01 mv 1 61 115 182 0 + 4 e 376 344 etot -8.5040E+01 mv 1 61 199 -144 0 + 4 e 399 325 etot -8.6436E+01 mv 1 61 70 -95 0 + 4 e 154 361 etot -8.8574E+01 mv 1 61 59 -45 0 + 4 e 269 342 etot -8.0416E+01 mv 1 61 199 -9 0 + 4 e 150 376 etot -7.4584E+01 mv 1 61 98 -22 0 + 4 e 144 380 etot -8.8278E+01 mv 1 61 98 -87 0 + 4 e 159 381 etot -8.8215E+01 mv 1 61 150 19 0 + 4 e 185 377 etot -8.6846E+01 mv 1 61 98 190 0 + 4 e 299 366 etot -8.8557E+01 mv 1 61 135 -80 0 + 4 e 281 356 etot -8.7743E+01 mv 1 61 197 -50 0 + 4 e 367 363 etot -7.8273E+01 mv 1 61 59 -145 0 + 4 e 219 379 etot -8.8278E+01 mv 1 61 98 90 0 + 4 e 289 371 etot -8.8362E+01 mv 1 61 126 103 0 + 4 e 203 384 etot -8.5493E+01 mv 1 61 150 -25 0 + 4 e 398 364 etot -7.9654E+01 mv 1 61 59 -90 0 + 4 e 236 367 etot -8.8178E+01 mv 1 61 135 76 0 + 4 e 472 337 etot -7.5428E+01 mv 1 61 178 -121 0 + 4 e 267 382 etot -8.0193E+01 mv 1 61 150 -170 0 + 4 e 277 383 etot -8.4915E+01 mv 1 61 150 6 0 + 4 e 167 388 etot -8.9945E+01 mv 1 61 106 -189 0 + 4 e 343 373 etot -8.8114E+01 mv 1 61 126 -143 0 + 4 e 342 374 etot -8.9601E+01 mv 1 61 126 -163 0 + 4 e 364 357 etot -8.9186E+01 mv 1 61 197 27 0 + 4 e 395 370 etot -8.8070E+01 mv 1 61 135 64 0 + 4 e 413 369 etot -8.8153E+01 mv 1 61 135 -123 0 + 4 e 621 346 etot -8.9353E+01 mv 1 61 115 -192 0 + 4 e 371 358 etot -8.6158E+01 mv 1 61 197 11 0 + 4 e 542 359 etot -7.5651E+01 mv 1 61 197 -198 0 + 4 e 318 368 etot -8.9697E+01 mv 1 61 135 131 0 + 4 e 2 412 etot -8.9188E+01 mv 0 61 197 0 0 + 4 e 72 405 etot -8.6437E+01 mv 0 61 70 0 0 c 70 2.0 0.0 + 4 e 2 413 etot -8.8574E+01 mv 0 61 59 0 0 + 4 e 2 414 etot -8.8558E+01 mv 0 61 135 0 0 + 4 e 14 411 etot -8.9262E+01 mv 0 61 54 0 0 + 4 e 20 410 etot -8.9602E+01 mv 0 61 115 0 0 c 115 0.0 0.0 + 4 e 95 403 etot -8.5193E+01 mv 0 61 50 0 0 c 50 1.1 0.0 + 4 e 99 402 etot -8.5481E+01 mv 0 61 43 0 0 c 43 1.1 0.0 +## N0 total= 27 close= 13 far= 0 %acc 48.1 +## N1 total= 93 close= 4 far= 0 %acc 4.3 +## N2 total= 100 close= 6 far= 0 %acc 6.0 +## N3 total= 0 close= 0 far= 0 %acc 0.0 +## N4 total= 0 close= 0 far= 0 %acc 0.0 +## N5 total= 0 close= 0 far= 0 %acc 0.0 +## N6 total= 200 close= 13 far= 0 %acc 6.5 +## N7 total= 0 close= 0 far= 0 %acc 0.0 +## N8 total= 0 close= 0 far= 0 %acc 0.0 +## N9 total= 0 close= 0 far= 0 %acc 0.0 +##N10 total= 0 close= 0 far= 0 %acc 0.0 +##N11 total= 0 close= 0 far= 0 %acc 0.0 +##N12 total= 0 close= 0 far= 0 %acc 0.0 +##N13 total= 0 close= 0 far= 0 %acc 0.0 +##N14 total= 0 close= 0 far= 0 %acc 0.0 +##N15 total= 0 close= 0 far= 0 %acc 0.0 +##N16 total= 0 close= 0 far= 0 %acc 0.0 +##N17 total= 0 close= 0 far= 0 %acc 0.0 +##N18 total= 0 close= 0 far= 0 %acc 0.0 + Time for refresh 62 0.37 + make_var : nseed= 20 ntry= 420 + Time for make trial 63 0.11 +Nonsetup time 133.68 sec, Eval/s = 57615.99 +Time for iter 63 1.93 sec, Eval/s = 59213.06 + UPDATING 420 + 4 e 218 397 etot -8.9074E+01 mv 1 61 37 136 0 + 4 e 300 398 etot -8.9074E+01 mv 1 61 37 -124 0 + 4 e 263 390 etot -8.9944E+01 mv 1 61 106 38 0 + 4 e 270 392 etot -8.8083E+01 mv 1 61 61 38 0 + 4 e 2 420 etot -8.9075E+01 mv 0 61 37 0 0 + 4 e 69 408 etot -8.7740E+01 mv 0 61 178 0 0 c 178 0.4 0.0 + 4 e 72 407 etot -8.9302E+01 mv 0 61 104 0 0 c 104 0.4 0.0 + 4 e 352 394 etot -8.9149E+01 mv 1 61 61 94 0 + 4 e 139 409 etot -8.7217E+01 mv 0 61 199 0 0 c 199 1.9 0.0 + -1 e 1 2 etot 1.3528E+20 mv 6 62 74 142 0 + 4 e 10 417 etot -8.8216E+01 mv 0 61 150 0 0 + 4 e 106 401 etot -8.5861E+01 mv 0 61 39 0 0 c 39 1.3 0.0 + 4 e 395 395 etot -8.8081E+01 mv 1 61 61 -51 0 + 4 e 532 375 etot -9.0897E+01 mv 1 61 126 198 0 + 4 e 31 416 etot -8.8279E+01 mv 0 61 98 0 0 + 4 e 10 419 etot -8.8083E+01 mv 0 61 61 0 0 c 61 0.0 0.0 + 4 e 498 389 etot -8.7677E+01 mv 1 61 106 53 0 + 4 e 157 396 etot -7.5347E+01 mv 1 61 37 -6 0 + 4 e 145 404 etot -8.4393E+01 mv 0 61 55 0 0 c 55 0.8 0.0 + 4 e 270 391 etot -8.7445E+01 mv 1 61 61 141 0 + 4 e 399 372 etot -7.7132E+01 mv 1 61 126 -45 0 + 4 e 488 338 etot -7.5557E+01 mv 1 61 178 -49 0 + 4 e 512 386 etot -8.2304E+01 mv 1 61 106 -47 0 + -1 e 1 16 etot 1.3528E+20 mv 6 62 124 101 0 + 4 e 66 406 etot -8.9909E+01 mv 0 61 101 0 0 c 101 0.5 0.0 + 4 e 447 385 etot -8.2523E+01 mv 1 61 150 -182 0 + 4 e 276 387 etot -8.7961E+01 mv 1 61 106 -86 0 + 4 e 293 393 etot -8.2072E+01 mv 1 61 61 166 0 + 4 e 353 399 etot -8.8687E+01 mv 1 61 37 -82 0 + 4 e 58 415 etot -8.8364E+01 mv 0 61 126 0 0 c 126 0.3 0.0 + 4 e 318 378 etot -8.8827E+01 mv 1 61 98 -32 0 + 4 e 174 400 etot -8.9075E+01 mv 1 61 37 131 0 + 4 e 43 418 etot -8.9945E+01 mv 0 61 106 0 0 c 106 0.0 0.0 + -1 e 1 32 etot 1.3528E+20 mv 6 62 156 186 0 + 8 e 39 30 etot -6.3998E+01 mv 6 62 163 76 0 + 4 e 199 27 etot -8.7469E+01 mv 6 62 163 102 0 c 163 2.9 0.0 + 4 e 209 11 etot -9.0786E+01 mv 6 62 124 62 0 c 124 1.7 0.0 + 4 e 227 26 etot -8.7210E+01 mv 6 62 163 62 0 + 4 e 211 33 etot -7.3933E+01 mv 6 62 156 69 0 + 4 e 228 28 etot -8.7469E+01 mv 6 62 163 152 0 + 4 e 230 29 etot -8.7700E+01 mv 6 62 163 19 0 c 163 163.0 0.2 + -1 e 1 41 etot 1.3528E+20 mv 6 62 101 166 0 + 4 e 246 14 etot -9.0786E+01 mv 6 62 124 138 0 + 4 e 252 22 etot -8.7493E+01 mv 6 62 163 1 0 c 62 113.6 0.3 + 4 e 263 24 etot -8.8203E+01 mv 6 62 163 103 0 + 4 e 272 31 etot -8.5268E+01 mv 6 62 156 141 0 + 4 e 277 5 etot -8.8147E+01 mv 6 62 74 117 0 + 4 e 284 19 etot -7.8457E+01 mv 6 62 124 136 0 + 4 e 302 17 etot -8.5728E+01 mv 6 62 124 63 0 + 4 e 316 6 etot -8.6699E+01 mv 6 62 74 159 0 + 4 e 319 12 etot -9.0658E+01 mv 6 62 124 87 0 + 4 e 395 3 etot -7.6375E+01 mv 6 62 74 154 0 + 4 e 240 35 etot -8.5261E+01 mv 6 62 156 75 0 + 4 e 290 7 etot -8.5815E+01 mv 6 62 74 118 0 + 4 e 334 9 etot -8.6612E+01 mv 6 62 74 162 0 c 24 222.9 0.8 + 4 e 408 1 etot -8.5397E+01 mv 6 62 74 184 0 + 4 e 329 20 etot -9.0061E+01 mv 6 62 124 59 0 + 4 e 354 4 etot -6.8595E+01 mv 6 62 74 110 0 + 4 e 365 23 etot -7.8499E+01 mv 6 62 163 131 0 + 4 e 366 34 etot -8.5267E+01 mv 6 62 156 25 0 + 4 e 397 8 etot -8.7886E+01 mv 6 62 74 33 0 + 4 e 530 10 etot -9.1330E+01 mv 6 62 74 116 0 + 4 e 334 21 etot -7.1844E+01 mv 6 62 163 42 0 + 4 e 444 13 etot -8.5235E+01 mv 6 62 124 57 0 + 4 e 174 45 etot -7.2277E+01 mv 6 62 101 94 0 + 4 e 330 25 etot -7.9488E+01 mv 6 62 163 50 0 + 4 e 163 50 etot -7.4450E+01 mv 6 62 101 165 0 + 4 e 294 38 etot -8.5342E+01 mv 6 62 156 42 0 + -1 e 1 68 etot 1.3528E+20 mv 6 62 197 113 0 + 4 e 306 37 etot -7.3769E+01 mv 6 62 156 51 0 + 4 e 254 48 etot -7.7512E+01 mv 6 62 101 56 0 + 4 e 279 47 etot -8.9909E+01 mv 6 62 101 58 0 + 4 e 551 18 etot -8.5026E+01 mv 6 62 124 36 0 + 4 e 348 36 etot -8.1193E+01 mv 6 62 156 134 0 + 4 e 241 49 etot -7.9046E+01 mv 6 62 101 48 0 + 4 e 548 15 etot -9.0783E+01 mv 6 62 124 131 0 + 4 e 322 40 etot -7.9491E+01 mv 6 62 156 84 0 + 4 e 255 51 etot -7.2212E+01 mv 6 62 54 116 0 + 4 e 332 43 etot -8.7109E+01 mv 6 62 101 59 0 + 4 e 238 53 etot -9.0276E+01 mv 6 62 54 20 0 + 4 e 291 58 etot -8.3769E+01 mv 6 62 54 49 0 + 4 e 384 42 etot -8.3295E+01 mv 6 62 101 173 0 + 4 e 33 78 etot -8.9126E+01 mv 6 62 59 77 0 c 77 0.0 0.0 + 4 e 372 54 etot -8.9261E+01 mv 6 62 54 13 0 + 4 e 357 57 etot -8.4244E+01 mv 6 62 54 181 0 + 4 e 394 39 etot -7.3801E+01 mv 6 62 156 55 0 + 4 e 296 60 etot -8.1459E+01 mv 6 62 54 188 0 + 4 e 284 67 etot -8.7005E+01 mv 6 62 197 82 0 + 4 e 209 72 etot -8.0783E+01 mv 6 62 59 107 0 + 4 e 348 55 etot -8.7933E+01 mv 6 62 54 173 0 + 4 e 290 65 etot -7.4925E+01 mv 6 62 197 196 0 + -1 e 1 91 etot 1.3528E+20 mv 6 62 98 122 0 + 4 e 163 74 etot -8.9944E+01 mv 6 62 59 106 0 + -1 e 1 93 etot 1.3528E+20 mv 6 62 98 200 0 + 4 e 271 73 etot -8.6576E+01 mv 6 62 59 140 0 + -1 e 1 95 etot 1.3528E+20 mv 6 62 98 85 0 + 4 e 235 70 etot -7.4607E+01 mv 6 62 197 111 0 + 4 e 199 77 etot -7.4507E+01 mv 6 62 59 134 0 + -1 e 1 98 etot 1.3528E+20 mv 6 62 98 111 0 + 4 e 364 61 etot -8.9186E+01 mv 6 62 197 27 0 + 4 e 344 75 etot -7.8713E+01 mv 6 62 59 114 0 + 4 e 42 99 etot -8.5303E+01 mv 6 62 98 173 0 c 173 0.1 0.0 + -1 e 1 102 etot 1.3528E+20 mv 6 62 150 38 0 + 4 e 502 46 etot -8.2010E+01 mv 6 62 101 177 0 + 4 e 242 84 etot -7.6008E+01 mv 6 62 135 161 0 + 4 e 329 76 etot -8.7634E+01 mv 6 62 59 89 0 + 4 e 237 85 etot -8.5460E+01 mv 6 62 135 91 0 + -1 e 1 56 etot 1.3528E+20 mv 6 62 54 167 0 + 4 e 425 59 etot -8.9199E+01 mv 6 62 54 30 0 + 4 e 280 83 etot -7.2673E+01 mv 6 62 135 9 0 + 4 e 328 69 etot -8.9187E+01 mv 6 62 197 102 0 + 4 e 244 89 etot -9.0337E+01 mv 6 62 135 200 0 + 4 e 503 64 etot -9.0796E+01 mv 6 62 197 165 0 + 4 e 262 88 etot -8.4431E+01 mv 6 62 135 100 0 + -1 e 1 114 etot 1.3528E+20 mv 6 62 37 27 0 + 4 e 264 92 etot -6.0613E+01 mv 6 62 98 64 0 + 4 e 294 90 etot -8.2859E+01 mv 6 62 135 5 0 + 4 e 241 96 etot -8.7418E+01 mv 6 62 98 130 0 + -1 e 1 118 etot 1.3528E+20 mv 6 62 37 66 0 + 4 e 436 81 etot -8.1420E+01 mv 6 62 135 178 0 + 4 e 533 71 etot -8.6086E+01 mv 6 62 59 122 0 + -1 e 1 120 etot 1.3528E+20 mv 6 62 37 83 0 + 4 e 164 52 etot -8.9262E+01 mv 6 62 54 11 0 + 4 e 252 100 etot -8.5150E+01 mv 6 62 98 35 0 + 4 e 176 107 etot -8.6296E+01 mv 6 62 150 78 0 + 4 e 325 82 etot -8.8132E+01 mv 6 62 135 127 0 + 4 e 162 112 etot -8.9075E+01 mv 6 62 37 160 0 + 4 e 259 66 etot -8.5714E+01 mv 6 62 197 181 0 + 4 e 268 101 etot -8.7411E+01 mv 6 62 150 65 0 + -1 e 1 129 etot 1.3528E+20 mv 6 62 91 146 0 + 4 e 666 44 etot -7.8493E+01 mv 6 62 101 93 0 + 4 e 289 106 etot -8.0977E+01 mv 6 62 150 76 0 + 4 e 303 105 etot -8.9187E+01 mv 6 62 150 140 0 + 4 e 61 130 etot -8.4613E+01 mv 6 62 91 109 0 c 109 0.1 0.0 + 4 e 177 117 etot -8.9248E+01 mv 6 62 37 184 0 + 4 e 202 116 etot -7.2319E+01 mv 6 62 37 67 0 + 4 e 233 108 etot -8.4032E+01 mv 6 62 150 51 0 + 4 e 420 80 etot -7.7281E+01 mv 6 62 59 99 0 + 4 e 215 111 etot -8.6567E+01 mv 6 62 37 185 0 + 4 e 153 127 etot -7.2446E+01 mv 6 62 91 191 0 + 4 e 690 79 etot -8.3692E+01 mv 6 62 59 3 0 + 4 e 321 113 etot -8.9072E+01 mv 6 62 37 42 0 + 4 e 380 87 etot -8.2596E+01 mv 6 62 135 132 0 + 4 e 258 109 etot -8.3962E+01 mv 6 62 150 21 0 + 4 e 297 104 etot -7.0403E+01 mv 6 62 150 182 0 + -1 e 1 145 etot 1.3528E+20 mv 6 62 65 16 0 + 4 e 436 86 etot -8.9686E+01 mv 6 62 135 123 0 + 4 e 352 121 etot -8.5394E+01 mv 6 62 91 20 0 + 4 e 554 97 etot -8.3926E+01 mv 6 62 98 74 0 + 4 e 369 62 etot -8.8221E+01 mv 6 62 197 20 0 + 4 e 332 123 etot -8.4721E+01 mv 6 62 91 114 0 + 4 e 375 119 etot -7.8157E+01 mv 6 62 37 191 0 + -1 e 1 152 etot 1.3528E+20 mv 6 62 142 193 0 + -1 e 1 153 etot 1.3528E+20 mv 6 62 142 121 0 + 4 e 224 134 etot -8.8566E+01 mv 6 62 174 151 0 + 4 e 350 125 etot -8.4743E+01 mv 6 62 91 3 0 + 4 e 479 110 etot -8.4442E+01 mv 6 62 150 170 0 + 4 e 32 156 etot -8.6700E+01 mv 6 62 142 159 0 c 159 0.1 0.0 + 4 e 406 124 etot -7.6051E+01 mv 6 62 91 1 0 + -1 e 1 159 etot 1.3528E+20 mv 6 62 142 21 0 + -1 e 1 160 etot 1.3528E+20 mv 6 62 142 75 0 + 4 e 401 63 etot -7.9869E+01 mv 6 62 197 36 0 + 4 e 317 133 etot -8.5620E+01 mv 6 62 174 111 0 + -1 e 1 163 etot 1.3528E+20 mv 6 62 178 45 0 + 4 e 545 115 etot -8.3521E+01 mv 6 62 37 128 0 + 4 e 336 132 etot -9.0082E+01 mv 6 62 174 126 0 + 4 e 529 122 etot -8.5004E+01 mv 6 62 91 128 0 + 4 e 339 126 etot -8.7813E+01 mv 6 62 91 106 0 + 4 e 374 135 etot -8.6470E+01 mv 6 62 174 170 0 + 4 e 173 154 etot -8.6317E+01 mv 6 62 142 90 0 + 8 e 93 161 etot -6.3986E+01 mv 6 62 178 83 0 + 4 e 567 94 etot -8.9026E+01 mv 6 62 98 58 0 + 4 e 334 140 etot -8.9125E+01 mv 6 62 174 41 0 + 4 e 256 149 etot -8.9189E+01 mv 6 62 65 95 0 + 4 e 529 103 etot -8.0237E+01 mv 6 62 150 111 0 + 4 e 290 148 etot -7.3764E+01 mv 6 62 65 118 0 + 4 e 286 151 etot -7.6632E+01 mv 6 62 142 153 0 + 4 e 472 136 etot -7.9565E+01 mv 6 62 174 8 0 + -1 e 1 178 etot 1.3528E+20 mv 6 62 125 130 0 + 4 e 417 141 etot -8.7317E+01 mv 6 62 65 188 0 c 132 65.6 0.0 + 4 e 237 144 etot -8.9231E+01 mv 6 62 65 135 0 + 4 e 302 155 etot -8.8175E+01 mv 6 62 142 129 0 + 4 e 251 158 etot -8.7772E+01 mv 6 62 142 150 0 + 4 e 227 146 etot -8.9188E+01 mv 6 62 65 127 0 + 4 e 317 139 etot -8.5814E+01 mv 6 62 174 21 0 + 4 e 355 150 etot -8.4250E+01 mv 6 62 65 181 0 + 4 e 360 131 etot -9.1993E+01 mv 6 62 174 124 0 + 4 e 526 137 etot -7.9348E+01 mv 6 62 174 182 0 + 4 e 235 128 etot -8.7814E+01 mv 6 62 91 183 0 + 4 e 204 171 etot -7.0174E+01 mv 6 62 125 181 0 + 4 e 254 166 etot -8.6484E+01 mv 6 62 178 53 0 + 4 e 213 170 etot -8.7740E+01 mv 6 62 178 39 0 + 4 e 152 172 etot -6.7775E+01 mv 6 62 125 31 0 + 4 e 506 142 etot -8.6133E+01 mv 6 62 65 72 0 + 4 e 297 164 etot -8.4798E+01 mv 6 62 178 2 0 c 167 79.9 0.1 + 4 e 281 147 etot -8.5643E+01 mv 6 62 65 40 0 + 4 e 333 143 etot -8.3772E+01 mv 6 62 65 102 0 + 4 e 194 168 etot -8.1165E+01 mv 6 62 178 89 0 + 4 e 275 169 etot -8.3896E+01 mv 6 62 178 66 0 + 8 e 88 194 etot -6.3995E+01 mv 6 62 176 96 0 + 4 e 294 173 etot -8.7138E+01 mv 6 62 125 150 0 + 4 e 222 177 etot -8.1375E+01 mv 6 62 125 194 0 + 4 e 482 157 etot -7.5412E+01 mv 6 62 142 118 0 + 4 e 177 175 etot -8.7145E+01 mv 6 62 125 131 0 + 4 e 257 176 etot -8.6838E+01 mv 6 62 125 54 0 + 4 e 406 165 etot -8.6271E+01 mv 6 62 178 130 0 + 4 e 134 192 etot -7.7288E+01 mv 6 62 176 107 0 + 4 e 400 167 etot -8.3968E+01 mv 6 62 178 68 0 + 4 e 253 182 etot -8.7354E+01 mv 6 62 73 111 0 + -1 e 1 209 etot 1.3528E+20 mv 2 62 124 -177 0 + 4 e 342 179 etot -8.8508E+01 mv 6 62 125 137 0 + -1 e 1 211 etot 1.3528E+20 mv 2 62 163 -55 0 + -1 e 1 212 etot 1.3528E+20 mv 2 62 163 -186 0 + 4 e 288 183 etot -9.0234E+01 mv 6 62 73 136 0 + 4 e 239 190 etot -8.6732E+01 mv 6 62 73 1 0 + 4 e 320 191 etot -8.7890E+01 mv 6 62 176 53 0 + 4 e 340 188 etot -8.3285E+01 mv 6 62 73 5 0 + 4 e 475 174 etot -8.5006E+01 mv 6 62 125 178 0 + 4 e 254 203 etot -6.7971E+01 mv 2 62 74 -84 0 + 4 e 225 206 etot -9.0786E+01 mv 2 62 124 -11 0 + 4 e 432 186 etot -7.8643E+01 mv 6 62 73 23 0 + 4 e 360 195 etot -8.3052E+01 mv 6 62 176 138 0 + 4 e 402 162 etot -7.7003E+01 mv 6 62 178 187 0 + 4 e 231 210 etot -9.0786E+01 mv 2 62 124 -57 0 + 4 e 499 180 etot -9.2231E+01 mv 6 62 125 49 0 + -1 e 1 225 etot 1.3528E+20 mv 2 62 101 -162 0 + 4 e 349 181 etot -8.7492E+01 mv 6 62 73 12 0 c 12 199.5 2.3 + 4 e 622 138 etot -8.5998E+01 mv 6 62 174 95 0 + 4 e 358 201 etot -8.8146E+01 mv 2 62 74 -178 0 + 4 e 152 204 etot -6.6418E+01 mv 2 62 74 -99 0 + 4 e 315 208 etot -7.8086E+01 mv 2 62 124 -113 0 + 4 e 371 202 etot -7.5068E+01 mv 2 62 74 -161 0 + 4 e 377 185 etot -8.5652E+01 mv 6 62 73 103 0 + 4 e 341 207 etot -7.0205E+01 mv 2 62 124 -184 0 + 4 e 263 215 etot -7.6536E+01 mv 2 62 163 -53 0 + 4 e 360 184 etot -8.7647E+01 mv 6 62 73 102 0 + 4 e 201 216 etot -8.2903E+01 mv 2 62 156 -72 0 + 4 e 385 187 etot -7.4892E+01 mv 6 62 73 190 0 + 4 e 461 199 etot -8.1565E+01 mv 6 62 176 68 0 + -1 e 1 238 etot 1.3528E+20 mv 2 62 59 5 0 + -1 e 1 239 etot 1.3528E+20 mv 2 62 59 -95 0 + 4 e 187 218 etot -8.3817E+01 mv 2 62 156 -62 0 + 4 e 319 213 etot -8.0680E+01 mv 2 62 163 -128 0 + 4 e 181 220 etot -8.5343E+01 mv 2 62 156 160 0 + 4 e 457 200 etot -8.1995E+01 mv 6 62 176 147 0 + 4 e 184 224 etot -7.1137E+01 mv 2 62 101 -188 0 + 4 e 358 196 etot 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0 0 + 4 e 2 412 etot -8.9075E+01 mv 0 62 37 0 0 + 4 e 270 388 etot -8.8438E+01 mv 1 62 125 148 0 + 4 e 400 374 etot -8.3175E+01 mv 1 62 65 2 0 + 4 e 210 390 etot -8.8843E+01 mv 1 62 125 76 0 c 125 64.0 0.4 + 4 e 2 416 etot -8.8225E+01 mv 0 62 142 0 0 + 4 e 86 401 etot -8.8147E+01 mv 0 62 74 0 0 c 74 0.9 0.0 + 4 e 10 413 etot -8.7814E+01 mv 0 62 91 0 0 c 91 0.0 0.0 + 4 e 10 411 etot -8.8216E+01 mv 0 62 150 0 0 c 150 0.0 0.0 +## N0 total= 21 close= 13 far= 0 %acc 61.9 +## N1 total= 99 close= 1 far= 0 %acc 1.0 +## N2 total= 100 close= 0 far= 0 %acc 0.0 +## N3 total= 0 close= 0 far= 0 %acc 0.0 +## N4 total= 0 close= 0 far= 0 %acc 0.0 +## N5 total= 0 close= 0 far= 0 %acc 0.0 +## N6 total= 200 close= 12 far= 0 %acc 6.0 +## N7 total= 0 close= 0 far= 0 %acc 0.0 +## N8 total= 0 close= 0 far= 0 %acc 0.0 +## N9 total= 0 close= 0 far= 0 %acc 0.0 +##N10 total= 0 close= 0 far= 0 %acc 0.0 +##N11 total= 0 close= 0 far= 0 %acc 0.0 +##N12 total= 0 close= 0 far= 0 %acc 0.0 +##N13 total= 0 close= 0 far= 0 %acc 0.0 +##N14 total= 0 close= 0 far= 0 %acc 0.0 +##N15 total= 0 close= 0 far= 0 %acc 0.0 +##N16 total= 0 close= 0 far= 0 %acc 0.0 +##N17 total= 0 close= 0 far= 0 %acc 0.0 +##N18 total= 0 close= 0 far= 0 %acc 0.0 + Time for refresh 63 0.29 + make_var : nseed= 20 ntry= 420 + Time for make trial 64 0.06 +Nonsetup time 135.47 sec, Eval/s = 57728.20 +Time for iter 64 1.80 sec, Eval/s = 66076.38 + UPDATING 420 + 4 e 13 419 etot -8.7648E+01 mv 0 62 73 0 0 c 73 0.0 0.0 + 4 e 397 387 etot -8.6731E+01 mv 1 62 125 -175 0 + 4 e 606 375 etot -8.1922E+01 mv 1 62 65 46 0 + 4 e 70 405 etot -8.9909E+01 mv 0 62 101 0 0 c 101 0.1 0.0 + 4 e 396 383 etot -8.3532E+01 mv 1 62 178 74 0 + 4 e 584 384 etot -8.3158E+01 mv 1 62 178 -142 0 + 4 e 69 417 etot -8.7740E+01 mv 0 62 178 0 0 + 4 e 362 394 etot -8.7646E+01 mv 1 62 73 -124 0 + 4 e 225 396 etot -8.7890E+01 mv 1 62 176 -118 0 + 4 e 258 391 etot -8.7647E+01 mv 1 62 73 123 0 + 4 e 12 415 etot -8.9231E+01 mv 0 62 65 0 0 c 65 0.0 0.0 + 4 e 306 395 etot 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etot -8.4655E+01 mv 6 63 12 179 0 + 4 e 268 47 etot -7.1902E+01 mv 6 63 132 121 0 + 4 e 303 49 etot -7.7504E+01 mv 6 63 132 44 0 + -1 e 1 75 etot 1.3528E+20 mv 6 63 70 159 0 + 4 e 158 52 etot -8.7700E+01 mv 6 63 163 62 0 c 163 1.8 0.0 + -1 e 1 77 etot 1.3528E+20 mv 6 63 70 125 0 + 4 e 231 54 etot -9.0507E+01 mv 6 63 163 27 0 + 4 e 532 8 etot -9.0448E+01 mv 6 63 12 124 0 + 4 e 159 64 etot -8.4312E+01 mv 6 63 167 66 0 + 4 e 188 56 etot -8.7700E+01 mv 6 63 163 82 0 + 4 e 353 45 etot -8.9189E+01 mv 6 63 132 168 0 + 4 e 173 63 etot -8.3424E+01 mv 6 63 167 180 0 + 4 e 566 44 etot -7.5779E+01 mv 6 63 132 83 0 + 4 e 392 42 etot -8.2454E+01 mv 6 63 132 192 0 + 4 e 367 41 etot -8.7057E+01 mv 6 63 132 26 0 + 4 e 379 53 etot -7.6404E+01 mv 6 63 163 168 0 + 4 e 261 57 etot -8.6315E+01 mv 6 63 163 149 0 + 4 e 385 50 etot -7.8899E+01 mv 6 63 132 128 0 + 4 e 417 60 etot -8.8039E+01 mv 6 63 163 54 0 c 4 104.1 1.1 + 4 e 595 37 etot -7.6149E+01 mv 6 63 125 192 0 + 4 e 325 68 etot -8.3675E+01 mv 6 63 167 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etot -7.2657E+01 mv 6 63 59 89 0 + 4 e 469 105 etot -8.5683E+01 mv 6 63 66 45 0 + -1 e 1 179 etot 1.3528E+20 mv 6 63 150 127 0 + 4 e 54 172 etot -8.6355E+01 mv 6 63 150 83 0 c 83 0.1 0.0 + 4 e 292 152 etot -8.8573E+01 mv 6 63 59 44 0 + 4 e 658 119 etot -8.9186E+01 mv 6 63 197 74 0 + 4 e 401 143 etot -8.0403E+01 mv 6 63 13 101 0 + 4 e 364 146 etot -9.1847E+01 mv 6 63 13 136 0 + 4 e 296 161 etot -9.1400E+01 mv 6 63 27 85 0 c 27 68.1 0.9 + 4 e 362 134 etot -8.4181E+01 mv 6 63 6 93 0 + 4 e 270 164 etot -9.1400E+01 mv 6 63 27 52 0 c 27 0.7 0.0 + -1 e 1 188 etot 1.3528E+20 mv 6 63 74 99 0 + -1 e 1 189 etot 1.3528E+20 mv 6 63 74 90 0 + -1 e 1 190 etot 1.3528E+20 mv 6 63 74 58 0 + 4 e 140 176 etot -8.7772E+01 mv 6 63 150 81 0 + 4 e 385 138 etot -7.4192E+01 mv 6 63 6 37 0 + 4 e 199 166 etot -9.0507E+01 mv 6 63 27 29 0 + 4 e 210 173 etot -7.6809E+01 mv 6 63 150 58 0 + 4 e 175 175 etot -8.6689E+01 mv 6 63 150 103 0 + -1 e 1 195 etot 1.3528E+20 mv 6 63 158 30 0 + 4 e 381 160 etot -7.6484E+01 mv 6 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125 -44 0 + 4 e 281 241 etot -8.9909E+01 mv 2 63 101 -140 0 + 4 e 400 242 etot -8.9842E+01 mv 2 63 101 28 0 + 4 e 350 254 etot -7.4524E+01 mv 2 63 66 -137 0 + 4 e 364 250 etot -7.7217E+01 mv 2 63 54 148 0 + 4 e 232 265 etot -6.5373E+01 mv 2 63 37 -107 0 + 4 e 283 261 etot -7.9477E+01 mv 2 63 37 -125 0 + 4 e 262 249 etot -8.9262E+01 mv 2 63 54 162 0 + 4 e 298 269 etot -7.5719E+01 mv 2 63 6 -193 0 + 4 e 482 245 etot -8.9906E+01 mv 2 63 101 -7 0 + 4 e 347 263 etot -8.9074E+01 mv 2 63 37 148 0 + 4 e 386 260 etot -7.5580E+01 mv 2 63 197 183 0 + 4 e 483 252 etot -7.6987E+01 mv 2 63 66 189 0 + 4 e 322 253 etot -8.9261E+01 mv 2 63 66 103 0 + 4 e 182 274 etot -8.8871E+01 mv 2 63 13 104 0 + 4 e 649 206 etot -8.6611E+01 mv 2 63 24 -142 0 + 4 e 333 267 etot -8.3196E+01 mv 2 63 6 24 0 + 4 e 198 278 etot -8.8574E+01 mv 2 63 59 -46 0 + 4 e 218 271 etot -6.8548E+01 mv 2 63 13 -199 0 + 4 e 210 277 etot -6.5092E+01 mv 2 63 59 -99 0 + 4 e 241 275 etot -7.8183E+01 mv 2 63 13 -10 0 + 4 e 146 286 etot 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63 66 126 0 + 4 e 156 346 etot -8.9262E+01 mv 1 63 54 -37 0 + 4 e 607 310 etot -8.6608E+01 mv 1 63 24 -19 0 + 4 e 491 322 etot -8.7317E+01 mv 1 63 132 -14 0 + 4 e 323 342 etot -7.5153E+01 mv 1 63 101 91 0 + 4 e 389 336 etot -7.7859E+01 mv 1 63 70 -66 0 + 4 e 217 352 etot -8.9261E+01 mv 1 63 66 -4 0 + 4 e 535 323 etot -8.5567E+01 mv 1 63 132 -151 0 + 4 e 375 343 etot -8.7230E+01 mv 1 63 101 106 0 + 4 e 411 341 etot -8.6040E+01 mv 1 63 101 -104 0 + 4 e 305 350 etot -8.8101E+01 mv 1 63 54 -89 0 + 4 e 378 332 etot -8.1277E+01 mv 1 63 167 -72 0 + 4 e 363 349 etot -7.5623E+01 mv 1 63 54 -190 0 + 4 e 133 366 etot -9.0235E+01 mv 1 63 6 -106 0 + 4 e 361 334 etot -7.6642E+01 mv 1 63 167 -120 0 + 4 e 484 318 etot -7.8433E+01 mv 1 63 125 -96 0 + 4 e 499 340 etot -8.6436E+01 mv 1 63 70 -105 0 + 4 e 455 347 etot -8.2202E+01 mv 1 63 54 -163 0 + 4 e 203 361 etot -8.5910E+01 mv 1 63 37 70 0 + 4 e 204 367 etot -9.0235E+01 mv 1 63 6 177 0 + 4 e 249 358 etot -8.9187E+01 mv 1 63 197 23 0 + 4 e 583 339 etot -8.6434E+01 mv 1 63 70 127 0 + 4 e 230 365 etot -8.7723E+01 mv 1 63 37 -10 0 + 4 e 178 371 etot -8.8871E+01 mv 1 63 13 52 0 + 4 e 209 369 etot -8.9056E+01 mv 1 63 6 -84 0 + -1 e 1 386 etot 1.3528E+20 mv 1 63 150 38 0 + 4 e 429 338 etot -8.6436E+01 mv 1 63 70 79 0 + 4 e 454 337 etot -7.9095E+01 mv 1 63 70 58 0 + 4 e 314 364 etot -7.2293E+01 mv 1 63 37 -89 0 + 4 e 248 370 etot -9.0235E+01 mv 1 63 6 67 0 + 4 e 443 359 etot -8.6354E+01 mv 1 63 197 175 0 + 4 e 508 357 etot -7.9221E+01 mv 1 63 197 -189 0 + 4 e 542 330 etot -7.7907E+01 mv 1 63 163 -51 0 + 4 e 322 360 etot -7.7948E+01 mv 1 63 197 115 0 + 4 e 414 362 etot -7.3757E+01 mv 1 63 37 -42 0 + 4 e 686 345 etot -8.1259E+01 mv 1 63 101 87 0 + 4 e 388 368 etot -9.0744E+01 mv 1 63 6 -153 0 + 4 e 181 387 etot -8.8215E+01 mv 1 63 150 -37 0 + 4 e 243 381 etot -9.0507E+01 mv 1 63 27 59 0 + 4 e 329 374 etot -7.4187E+01 mv 1 63 13 -81 0 + 4 e 177 380 etot -8.8574E+01 mv 1 63 59 -115 0 + 4 e 343 363 etot -7.8834E+01 mv 1 63 37 21 0 + 4 e 173 390 etot -8.8215E+01 mv 1 63 150 53 0 + 4 e 302 379 etot -8.8573E+01 mv 1 63 59 102 0 + 4 e 259 384 etot -9.0507E+01 mv 1 63 27 168 0 + 4 e 228 376 etot -8.8573E+01 mv 1 63 59 -143 0 + 4 e 331 378 etot -7.6496E+01 mv 1 63 59 163 0 + 4 e 245 373 etot -8.8871E+01 mv 1 63 13 55 0 + 4 e 145 389 etot -8.8215E+01 mv 1 63 150 180 0 + 4 e 491 354 etot -7.7693E+01 mv 1 63 66 -34 0 + 4 e 15 409 etot -8.9909E+01 mv 0 63 101 0 0 + 4 e 537 348 etot -7.8197E+01 mv 1 63 54 -172 0 + 4 e 2 412 etot -8.9188E+01 mv 0 63 197 0 0 + 4 e 2 413 etot -8.9075E+01 mv 0 63 37 0 0 + 4 e 2 414 etot -9.0235E+01 mv 0 63 6 0 0 + 4 e 2 416 etot -8.8574E+01 mv 0 63 59 0 0 + 4 e 279 385 etot -9.0507E+01 mv 1 63 27 152 0 + 4 e 13 411 etot -8.9261E+01 mv 0 63 66 0 0 c 66 0.0 0.0 + 4 e 2 418 etot -8.8216E+01 mv 0 63 150 0 0 +## N0 total= 18 close= 9 far= 0 %acc 50.0 +## N1 total= 102 close= 2 far= 0 %acc 2.0 +## N2 total= 100 close= 4 far= 0 %acc 4.0 +## N3 total= 0 close= 0 far= 0 %acc 0.0 +## N4 total= 0 close= 0 far= 0 %acc 0.0 +## N5 total= 0 close= 0 far= 0 %acc 0.0 +## N6 total= 200 close= 13 far= 0 %acc 6.5 +## N7 total= 0 close= 0 far= 0 %acc 0.0 +## N8 total= 0 close= 0 far= 0 %acc 0.0 +## N9 total= 0 close= 0 far= 0 %acc 0.0 +##N10 total= 0 close= 0 far= 0 %acc 0.0 +##N11 total= 0 close= 0 far= 0 %acc 0.0 +##N12 total= 0 close= 0 far= 0 %acc 0.0 +##N13 total= 0 close= 0 far= 0 %acc 0.0 +##N14 total= 0 close= 0 far= 0 %acc 0.0 +##N15 total= 0 close= 0 far= 0 %acc 0.0 +##N16 total= 0 close= 0 far= 0 %acc 0.0 +##N17 total= 0 close= 0 far= 0 %acc 0.0 +##N18 total= 0 close= 0 far= 0 %acc 0.0 + Time for refresh 64 0.29 + make_var : nseed= 20 ntry= 420 + Time for make trial 65 0.07 +Nonsetup time 137.31 sec, Eval/s = 57833.31 +Time for iter 65 1.84 sec, Eval/s = 65588.83 + UPDATING 420 + 4 e 314 392 etot -8.8147E+01 mv 1 63 74 141 0 + 4 e 730 355 etot -8.2711E+01 mv 1 63 66 106 0 + 4 e 53 408 etot -8.6437E+01 mv 0 63 70 0 0 c 70 0.1 0.0 + 4 e 286 396 etot -8.8483E+01 mv 1 63 158 -151 0 + 4 e 102 404 etot 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153 -183 0 + 4 e 279 330 etot -7.5540E+01 mv 1 64 153 37 0 + 4 e 316 319 etot -8.7523E+01 mv 1 64 61 -68 0 + 4 e 297 332 etot -8.9908E+01 mv 1 64 101 53 0 + 4 e 470 306 etot -7.5784E+01 mv 1 64 16 -60 0 + 4 e 572 315 etot -9.1337E+01 mv 1 64 27 -61 0 + 4 e 293 338 etot -8.9187E+01 mv 1 64 197 -182 0 + 4 e 335 322 etot -7.6622E+01 mv 1 64 90 -41 0 + 4 e 369 334 etot -8.9907E+01 mv 1 64 101 -193 0 + 4 e 238 343 etot -8.2985E+01 mv 1 64 174 -116 0 + 4 e 521 323 etot -8.4803E+01 mv 1 64 90 -26 0 + 4 e 434 329 etot -7.0230E+01 mv 1 64 153 -74 0 + 4 e 439 313 etot -8.7983E+01 mv 1 64 27 -191 0 + 4 e 226 345 etot -8.9160E+01 mv 1 64 174 -45 0 + 4 e 446 314 etot -9.0468E+01 mv 1 64 27 -196 0 + 4 e 351 325 etot -8.0848E+01 mv 1 64 90 -57 0 + 4 e 146 355 etot -8.8871E+01 mv 1 64 13 -158 0 + 4 e 313 342 etot -8.0161E+01 mv 1 64 174 22 0 + 4 e 196 351 etot -8.8871E+01 mv 1 64 13 11 0 + 4 e 393 339 etot -8.6158E+01 mv 1 64 197 -200 0 + 4 e 329 333 etot -8.7105E+01 mv 1 64 101 -144 0 + 4 e 249 350 etot -8.9074E+01 mv 1 64 37 -55 0 + 4 e 451 337 etot -7.0191E+01 mv 1 64 197 -174 0 + 4 e 281 341 etot -8.9160E+01 mv 1 64 174 3 0 + 4 e 346 348 etot -8.9073E+01 mv 1 64 37 -49 0 + 4 e 189 360 etot -8.8843E+01 mv 1 64 125 193 0 + 4 e 221 358 etot -8.6050E+01 mv 1 64 125 -70 0 + 4 e 351 349 etot -8.5958E+01 mv 1 64 37 -166 0 + 4 e 335 352 etot -7.3495E+01 mv 1 64 13 -117 0 + 4 e 195 362 etot -8.8574E+01 mv 1 64 59 146 0 + 4 e 248 363 etot -8.8573E+01 mv 1 64 59 -145 0 + 4 e 461 346 etot -8.2008E+01 mv 1 64 37 175 0 + 4 e 262 361 etot -8.8573E+01 mv 1 64 59 -29 0 + 4 e 255 365 etot -8.8574E+01 mv 1 64 59 161 0 + 4 e 188 371 etot -8.8215E+01 mv 1 64 150 91 0 + 4 e 212 368 etot -8.8557E+01 mv 1 64 135 142 0 + 4 e 209 369 etot -8.8557E+01 mv 1 64 135 -106 0 + 4 e 510 327 etot -7.2469E+01 mv 1 64 153 34 0 + 4 e 211 370 etot -8.8557E+01 mv 1 64 135 -182 0 + 4 e 506 344 etot -8.5266E+01 mv 1 64 174 25 0 + 4 e 191 373 etot -8.8215E+01 mv 1 64 150 -5 0 + 4 e 483 336 etot -8.9186E+01 mv 1 64 197 -142 0 + 4 e 539 353 etot -8.8627E+01 mv 1 64 13 169 0 + 4 e 157 385 etot -8.7900E+01 mv 1 64 139 101 0 + 4 e 233 380 etot -8.8224E+01 mv 1 64 142 -167 0 + -1 e 1 396 etot 1.3528E+20 mv 1 64 116 143 0 + 4 e 296 366 etot -7.6301E+01 mv 1 64 135 -169 0 + 4 e 345 356 etot -8.8842E+01 mv 1 64 125 118 0 + -1 e 1 399 etot 1.3528E+20 mv 1 64 116 -53 0 + 4 e 529 340 etot -7.9220E+01 mv 1 64 197 -6 0 + 4 e 498 357 etot -8.3132E+01 mv 1 64 125 139 0 + 4 e 207 382 etot -8.7900E+01 mv 1 64 139 198 0 + 4 e 341 359 etot -8.4302E+01 mv 1 64 125 119 0 + 4 e 202 384 etot -8.7900E+01 mv 1 64 139 107 0 + 4 e 298 376 etot -8.8224E+01 mv 1 64 142 27 0 + 4 e 278 381 etot -8.6403E+01 mv 1 64 139 169 0 + 4 e 282 379 etot -8.8224E+01 mv 1 64 142 61 0 + 4 e 2 408 etot -8.9188E+01 mv 0 64 197 0 0 + 4 e 10 409 etot -8.9161E+01 mv 0 64 174 0 0 c 174 0.0 0.0 + 4 e 2 410 etot -8.9075E+01 mv 0 64 37 0 0 + 4 e 19 407 etot -8.9909E+01 mv 0 64 101 0 0 c 101 0.0 0.0 + 4 e 320 378 etot -8.7417E+01 mv 1 64 142 138 0 + 4 e 196 390 etot -8.7678E+01 mv 1 64 91 166 0 + 4 e 2 413 etot -8.8574E+01 mv 0 64 59 0 0 + 4 e 31 406 etot -8.4670E+01 mv 0 64 153 0 0 c 153 0.5 0.0 + 4 e 2 414 etot -8.8558E+01 mv 0 64 135 0 0 + 4 e 2 415 etot -8.8216E+01 mv 0 64 150 0 0 + 4 e 2 416 etot -8.8225E+01 mv 0 64 142 0 0 + 4 e 2 418 etot -8.7814E+01 mv 0 64 91 0 0 +## N0 total= 23 close= 15 far= 0 %acc 65.2 +## N1 total= 97 close= 1 far= 0 %acc 1.0 +## N2 total= 100 close= 4 far= 1 %acc 5.0 +## N3 total= 0 close= 0 far= 0 %acc 0.0 +## N4 total= 0 close= 0 far= 0 %acc 0.0 +## N5 total= 0 close= 0 far= 0 %acc 0.0 +## N6 total= 200 close= 16 far= 0 %acc 8.0 +## N7 total= 0 close= 0 far= 0 %acc 0.0 +## N8 total= 0 close= 0 far= 0 %acc 0.0 +## N9 total= 0 close= 0 far= 0 %acc 0.0 +##N10 total= 0 close= 0 far= 0 %acc 0.0 +##N11 total= 0 close= 0 far= 0 %acc 0.0 +##N12 total= 0 close= 0 far= 0 %acc 0.0 +##N13 total= 0 close= 0 far= 0 %acc 0.0 +##N14 total= 0 close= 0 far= 0 %acc 0.0 +##N15 total= 0 close= 0 far= 0 %acc 0.0 +##N16 total= 0 close= 0 far= 0 %acc 0.0 +##N17 total= 0 close= 0 far= 0 %acc 0.0 +##N18 total= 0 close= 0 far= 0 %acc 0.0 + Time for refresh 65 0.43 + make_var : nseed= 20 ntry= 420 + Time for make trial 66 0.15 +Nonsetup time 139.44 sec, Eval/s = 57865.17 +Time for iter 66 2.13 sec, Eval/s = 59916.66 + UPDATING 420 + 4 e 314 391 etot -8.7740E+01 mv 1 64 178 142 0 + 4 e 355 377 etot -8.8224E+01 mv 1 64 142 110 0 + 4 e 471 374 etot -7.9236E+01 mv 1 64 150 20 0 + 4 e 48 419 etot -8.7740E+01 mv 0 64 178 0 0 c 178 0.1 0.0 + 4 e 39 411 etot -8.8871E+01 mv 0 64 13 0 0 + 4 e 516 386 etot -8.4928E+01 mv 1 64 91 54 0 + 4 e 292 392 etot -8.2323E+01 mv 1 64 178 -173 0 + 4 e 125 403 etot -9.1401E+01 mv 0 64 27 0 0 c 27 1.3 0.0 + 4 e 519 394 etot -7.6810E+01 mv 1 64 178 -102 0 + 4 e 10 417 etot -8.7901E+01 mv 0 64 139 0 0 c 139 0.0 0.0 + -1 e 1 3 etot 1.3528E+20 mv 6 65 2 65 0 + 4 e 284 388 etot -8.7216E+01 mv 1 64 91 -98 0 + 4 e 60 412 etot -8.8844E+01 mv 0 64 125 0 0 c 125 0.5 0.0 + -1 e 1 6 etot 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4 65 0 + 4 e 297 35 etot -8.8337E+01 mv 6 65 16 148 0 + 4 e 331 36 etot -8.6751E+01 mv 6 65 16 169 0 + 4 e 123 43 etot -8.0299E+01 mv 6 65 50 168 0 + 4 e 388 26 etot -8.3415E+01 mv 6 65 15 119 0 + 4 e 444 14 etot -8.5842E+01 mv 6 65 4 100 0 + -1 e 1 60 etot 1.3528E+20 mv 6 65 118 50 0 + 4 e 12 61 etot -8.4410E+01 mv 6 65 127 1 0 c 1 0.0 0.0 + 4 e 452 21 etot -8.5257E+01 mv 6 65 15 179 0 f 55 303.2 0.9 + -1 e 1 63 etot 1.3528E+20 mv 6 65 127 19 0 + 4 e 182 50 etot -8.5966E+01 mv 6 65 50 34 0 c 50 67.4 0.3 + 4 e 223 40 etot -8.8337E+01 mv 6 65 16 123 0 + 4 e 302 41 etot -7.6455E+01 mv 6 65 50 110 0 + -1 e 1 67 etot 1.3528E+20 mv 6 65 127 98 0 + 4 e 222 45 etot -7.2759E+01 mv 6 65 50 104 0 + 4 e 201 47 etot -8.4032E+01 mv 6 65 50 49 0 + 4 e 536 7 etot -8.1420E+01 mv 6 65 2 143 0 + 4 e 235 52 etot -8.1196E+01 mv 6 65 118 59 0 + 4 e 167 54 etot -8.6098E+01 mv 6 65 118 1 0 c 118 39.3 1.3 + 4 e 177 56 etot -7.0081E+01 mv 6 65 118 84 0 + 4 e 596 4 etot -8.7724E+01 mv 6 65 2 77 0 + 4 e 286 55 etot -8.4834E+01 mv 6 65 118 46 0 + 4 e 311 44 etot -6.8245E+01 mv 6 65 50 103 0 + 4 e 701 1 etot -8.6643E+01 mv 6 65 2 120 0 c 154 211.9 0.7 + 4 e 122 68 etot -8.4725E+01 mv 6 65 127 12 0 + 4 e 570 16 etot -8.9259E+01 mv 6 65 4 41 0 + 4 e 181 64 etot -8.0722E+01 mv 6 65 127 80 0 + 4 e 350 38 etot -8.7326E+01 mv 6 65 16 161 0 + 4 e 371 39 etot -8.7624E+01 mv 6 65 16 165 0 + 4 e 330 46 etot -7.1711E+01 mv 6 65 50 40 0 + 4 e 336 57 etot -7.9678E+01 mv 6 65 118 96 0 + 4 e 23 82 etot -8.5415E+01 mv 6 65 180 147 0 c 147 0.0 0.0 + 4 e 222 59 etot -8.6191E+01 mv 6 65 118 138 0 c 118 171.2 0.1 + 4 e 377 48 etot -8.5193E+01 mv 6 65 50 17 0 + 4 e 287 65 etot -8.3327E+01 mv 6 65 127 95 0 + 4 e 236 72 etot -7.4171E+01 mv 6 65 159 180 0 + 4 e 423 42 etot -7.8896E+01 mv 6 65 50 36 0 + 4 e 273 71 etot -8.5159E+01 mv 6 65 159 82 0 + 4 e 405 51 etot -8.1214E+01 mv 6 65 118 171 0 + 4 e 404 58 etot -8.6612E+01 mv 6 65 118 15 0 + 4 e 606 53 etot -7.7531E+01 mv 6 65 118 101 0 + 4 e 219 80 etot -8.4651E+01 mv 6 65 159 36 0 + 4 e 199 85 etot -6.6360E+01 mv 6 65 180 20 0 + 4 e 284 75 etot -8.6190E+01 mv 6 65 159 84 0 + 4 e 503 49 etot -7.9483E+01 mv 6 65 50 170 0 + 4 e 295 77 etot -8.6743E+01 mv 6 65 159 16 0 c 78 196.0 1.2 + 4 e 401 37 etot -8.1071E+01 mv 6 65 16 89 0 + 4 e 343 76 etot -7.8982E+01 mv 6 65 159 186 0 + 4 e 281 69 etot -8.8306E+01 mv 6 65 127 104 0 + 4 e 291 79 etot -8.1829E+01 mv 6 65 159 47 0 + 4 e 321 78 etot -8.5159E+01 mv 6 65 159 18 0 + 4 e 281 66 etot -7.1607E+01 mv 6 65 127 79 0 + 4 e 416 70 etot -8.1132E+01 mv 6 65 127 167 0 + 4 e 240 73 etot -8.6870E+01 mv 6 65 159 35 0 c 159 3.0 0.0 + 4 e 537 62 etot -8.8044E+01 mv 6 65 127 56 0 + 4 e 408 22 etot -8.8508E+01 mv 6 65 15 146 0 + 4 e 240 74 etot -8.2863E+01 mv 6 65 159 1 0 + 4 e 273 88 etot -8.3591E+01 mv 6 65 180 73 0 + 4 e 330 83 etot -8.4823E+01 mv 6 65 180 150 0 + 4 e 227 92 etot -8.7242E+01 mv 6 65 185 184 0 c 185 180.8 1.1 + 4 e 389 81 etot -7.7977E+01 mv 6 65 180 85 0 + 4 e 356 84 etot -8.1669E+01 mv 6 65 180 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etot -8.8222E+01 mv 6 65 92 197 0 + 4 e 359 116 etot -9.0746E+01 mv 6 65 92 162 0 + 4 e 447 86 etot -8.2370E+01 mv 6 65 180 176 0 + 4 e 562 96 etot -8.6825E+01 mv 6 65 185 48 0 c 48 80.8 0.3 + 4 e 262 125 etot -8.9909E+01 mv 6 65 101 165 0 + 4 e 423 113 etot -7.9717E+01 mv 6 65 92 177 0 + -1 e 1 142 etot 1.3528E+20 mv 6 65 65 58 0 + 4 e 381 117 etot -8.6061E+01 mv 6 65 92 196 0 + 4 e 338 120 etot -8.1195E+01 mv 6 65 92 136 0 + 4 e 464 112 etot -8.7550E+01 mv 6 65 92 24 0 + 4 e 564 97 etot -8.3335E+01 mv 6 65 185 65 0 + 4 e 429 93 etot -8.1510E+01 mv 6 65 185 84 0 + 4 e 386 119 etot -7.8513E+01 mv 6 65 92 176 0 + 4 e 329 106 etot -8.3642E+01 mv 6 65 96 61 0 + 4 e 138 134 etot -9.0850E+01 mv 6 65 35 196 0 + 4 e 344 126 etot -8.9909E+01 mv 6 65 101 141 0 + 4 e 273 128 etot -7.3561E+01 mv 6 65 101 31 0 + 4 e 193 129 etot -6.6571E+01 mv 6 65 101 21 0 + 4 e 689 24 etot -9.0655E+01 mv 6 65 15 13 0 + 4 e 409 127 etot -8.5284E+01 mv 6 65 101 28 0 + 4 e 156 141 etot -7.3629E+01 mv 6 65 65 82 0 + 4 e 629 25 etot -8.6600E+01 mv 6 65 15 166 0 + 4 e 235 133 etot -9.0745E+01 mv 6 65 35 45 0 + 4 e 406 111 etot -9.0746E+01 mv 6 65 92 90 0 + 4 e 510 103 etot -7.9996E+01 mv 6 65 96 92 0 + 4 e 357 130 etot -8.2181E+01 mv 6 65 101 93 0 + -1 e 1 162 etot 1.3528E+20 mv 6 65 37 57 0 + 4 e 233 137 etot -9.0559E+01 mv 6 65 35 12 0 + -1 e 1 164 etot 1.3528E+20 mv 6 65 37 55 0 + 4 e 271 138 etot -9.2241E+01 mv 6 65 35 9 0 + 4 e 274 144 etot -8.7318E+01 mv 6 65 65 35 0 + 4 e 328 140 etot -9.2226E+01 mv 6 65 35 7 0 + 4 e 352 143 etot -7.4514E+01 mv 6 65 65 155 0 + 4 e 302 145 etot -8.7318E+01 mv 6 65 65 132 0 + 4 e 633 124 etot -8.1604E+01 mv 6 65 101 121 0 + 4 e 342 146 etot -8.4576E+01 mv 6 65 65 53 0 + 4 e 352 110 etot -8.2539E+01 mv 6 65 96 106 0 + 4 e 448 123 etot -7.8930E+01 mv 6 65 101 114 0 + 4 e 255 139 etot -8.3328E+01 mv 6 65 35 172 0 + 4 e 299 132 etot -8.2966E+01 mv 6 65 35 178 0 + 4 e 310 152 etot -8.9187E+01 mv 6 65 197 15 0 + 4 e 497 135 etot -9.2170E+01 mv 6 65 35 194 0 + 4 e 420 147 etot -8.1145E+01 mv 6 65 65 200 0 + 4 e 441 149 etot -7.8971E+01 mv 6 65 65 108 0 + 4 e 550 136 etot -7.9404E+01 mv 6 65 35 74 0 + 4 e 353 156 etot -8.7933E+01 mv 6 65 197 57 0 + 4 e 197 160 etot -8.7743E+01 mv 6 65 197 73 0 + 4 e 232 158 etot -8.3938E+01 mv 6 65 197 198 0 + 4 e 372 157 etot -7.2894E+01 mv 6 65 197 121 0 + 4 e 237 167 etot -7.6715E+01 mv 6 65 37 164 0 + 4 e 308 163 etot -8.6397E+01 mv 6 65 37 47 0 + 4 e 484 151 etot -7.1649E+01 mv 6 65 197 74 0 + 4 e 209 169 etot -8.6567E+01 mv 6 65 37 132 0 + 4 e 307 131 etot -8.8046E+01 mv 6 65 35 15 0 + 4 e 220 170 etot -9.0850E+01 mv 6 65 37 35 0 + 4 e 316 165 etot -8.6138E+01 mv 6 65 37 65 0 + 4 e 392 148 etot -8.5759E+01 mv 6 65 65 196 0 + 4 e 424 159 etot -8.3282E+01 mv 6 65 197 24 0 + 4 e 359 166 etot -7.9361E+01 mv 6 65 37 198 0 + 4 e 200 178 etot -7.0931E+01 mv 6 65 13 54 0 + 4 e 271 177 etot -8.4179E+01 mv 6 65 13 21 0 + 4 e 401 154 etot -8.7853E+01 mv 6 65 197 33 0 + -1 e 1 197 etot 1.3528E+20 mv 6 65 142 132 0 + 4 e 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214 332 etot -7.2065E+01 mv 1 65 127 -30 0 + 4 e 298 316 etot -8.7889E+01 mv 1 65 16 -26 0 + 4 e 247 325 etot -8.5659E+01 mv 1 65 50 -123 0 + 4 e 179 335 etot -7.2579E+01 mv 1 65 127 -104 0 + -1 e 1 347 etot 1.3528E+20 mv 1 65 185 -12 0 + 4 e 542 310 etot -7.6055E+01 mv 1 65 4 -82 0 + 4 e 550 308 etot -8.2416E+01 mv 1 65 4 -165 0 + 4 e 468 302 etot -6.8420E+01 mv 1 65 2 -152 0 + 4 e 546 315 etot -8.2046E+01 mv 1 65 15 -107 0 + 4 e 304 333 etot -7.1987E+01 mv 1 65 127 -35 0 + 4 e 226 339 etot -8.5376E+01 mv 1 65 159 -70 0 + 4 e 441 329 etot -7.3487E+01 mv 1 65 118 -103 0 + 4 e 340 328 etot -6.4241E+01 mv 1 65 118 -30 0 + 4 e 564 323 etot -7.8461E+01 mv 1 65 50 -79 0 + 4 e 291 341 etot -7.6388E+01 mv 1 65 180 -16 0 + 4 e 709 279 etot -8.5317E+01 mv 2 65 197 80 0 + 4 e 443 317 etot -7.9344E+01 mv 1 65 16 -127 0 + 4 e 432 319 etot -6.4721E+01 mv 1 65 16 -188 0 + 4 e 344 327 etot -6.9814E+01 mv 1 65 118 -61 0 + 4 e 357 338 etot -7.6326E+01 mv 1 65 159 -139 0 + 4 e 593 322 etot -7.8632E+01 mv 1 65 50 -67 0 + 4 e 535 304 etot -7.6814E+01 mv 1 65 2 -190 0 + 4 e 446 331 etot -7.5746E+01 mv 1 65 127 -115 0 + 4 e 389 337 etot -6.6131E+01 mv 1 65 159 -38 0 + 4 e 666 318 etot -6.8074E+01 mv 1 65 16 -192 0 + 4 e 209 350 etot -8.5843E+01 mv 1 65 185 -190 0 + 4 e 163 346 etot -8.6117E+01 mv 1 65 185 -5 0 + 4 e 514 330 etot -8.4833E+01 mv 1 65 118 -74 0 + 4 e 628 324 etot -8.5749E+01 mv 1 65 50 -51 0 + 4 e 452 336 etot -7.9902E+01 mv 1 65 159 -56 0 + 4 e 462 334 etot -8.0007E+01 mv 1 65 127 -166 0 + 4 e 351 348 etot -6.9527E+01 mv 1 65 185 -104 0 + -1 e 1 375 etot 1.3528E+20 mv 1 65 65 -175 0 + 4 e 264 353 etot -8.4943E+01 mv 1 65 96 3 0 + 4 e 335 340 etot -8.6870E+01 mv 1 65 159 -109 0 + 4 e 171 368 etot -9.0850E+01 mv 1 65 35 -196 0 + 4 e 375 349 etot -8.1433E+01 mv 1 65 185 -102 0 + 4 e 214 351 etot -8.4943E+01 mv 1 65 96 -146 0 + 4 e 217 358 etot -9.0746E+01 mv 1 65 92 15 0 + 4 e 215 363 etot -8.9909E+01 mv 1 65 101 104 0 + 4 e 347 342 etot -7.3515E+01 mv 1 65 180 -166 0 + 4 e 326 344 etot -7.9670E+01 mv 1 65 180 -29 0 + 4 e 172 373 etot -8.9231E+01 mv 1 65 65 139 0 + 4 e 198 371 etot -8.9231E+01 mv 1 65 65 -94 0 + 4 e 322 345 etot -8.5307E+01 mv 1 65 180 -115 0 + 4 e 330 355 etot -7.5144E+01 mv 1 65 96 106 0 + 4 e 373 352 etot -7.6007E+01 mv 1 65 96 -62 0 + 4 e 320 357 etot -9.0746E+01 mv 1 65 92 -40 0 + 4 e 285 372 etot -7.6757E+01 mv 1 65 65 -187 0 + 4 e 247 356 etot -8.3732E+01 mv 1 65 92 95 0 + 4 e 238 362 etot -7.0211E+01 mv 1 65 101 -116 0 + 4 e 445 354 etot -8.1872E+01 mv 1 65 96 14 0 + 4 e 277 374 etot -8.7685E+01 mv 1 65 65 53 0 + 4 e 182 380 etot -8.9187E+01 mv 1 65 197 -149 0 + 4 e 372 364 etot -8.9188E+01 mv 1 65 101 -92 0 + 4 e 272 360 etot -9.0746E+01 mv 1 65 92 -119 0 + 4 e 452 343 etot -7.7740E+01 mv 1 65 180 -110 0 + 4 e 133 381 etot -8.9075E+01 mv 1 65 37 21 0 + 4 e 155 386 etot -8.8871E+01 mv 1 65 13 -119 0 + 4 e 398 369 etot -7.4870E+01 mv 1 65 35 114 0 + 4 e 317 359 etot -9.0746E+01 mv 1 65 92 -110 0 + 4 e 443 367 etot -8.2936E+01 mv 1 65 35 141 0 + 4 e 331 361 etot -8.9409E+01 mv 1 65 101 -158 0 + 4 e 204 378 etot -8.9187E+01 mv 1 65 197 70 0 + 4 e 292 379 etot -8.8222E+01 mv 1 65 197 146 0 + 4 e 491 366 etot -9.0232E+01 mv 1 65 35 -78 0 + 4 e 116 402 etot -8.8116E+01 mv 0 65 4 0 0 c 4 0.8 0.0 + 4 e 89 403 etot -8.9527E+01 mv 0 65 15 0 0 c 15 0.5 0.0 + 4 e 186 388 etot -8.8871E+01 mv 1 65 13 -188 0 + 4 e 97 401 etot -8.5483E+01 mv 0 65 2 0 0 + 4 e 207 392 etot -8.8574E+01 mv 1 65 59 95 0 + 4 e 344 370 etot -7.6091E+01 mv 1 65 35 -188 0 + 4 e 2 415 etot -8.9231E+01 mv 0 65 65 0 0 + 4 e 368 365 etot -8.6403E+01 mv 1 65 101 -175 0 + 4 e 2 416 etot -8.9188E+01 mv 0 65 197 0 0 + 4 e 15 412 etot -9.0747E+01 mv 0 65 92 0 0 c 92 0.0 0.0 + 4 e 31 411 etot -8.4944E+01 mv 0 65 96 0 0 c 96 0.0 0.0 +## N0 total= 17 close= 11 far= 0 %acc 64.7 +## N1 total= 103 close= 0 far= 0 %acc 0.0 +## N2 total= 100 close= 5 far= 0 %acc 5.0 +## N3 total= 0 close= 0 far= 0 %acc 0.0 +## N4 total= 0 close= 0 far= 0 %acc 0.0 +## N5 total= 0 close= 0 far= 0 %acc 0.0 +## N6 total= 200 close= 14 far= 1 %acc 7.5 +## N7 total= 0 close= 0 far= 0 %acc 0.0 +## N8 total= 0 close= 0 far= 0 %acc 0.0 +## N9 total= 0 close= 0 far= 0 %acc 0.0 +##N10 total= 0 close= 0 far= 0 %acc 0.0 +##N11 total= 0 close= 0 far= 0 %acc 0.0 +##N12 total= 0 close= 0 far= 0 %acc 0.0 +##N13 total= 0 close= 0 far= 0 %acc 0.0 +##N14 total= 0 close= 0 far= 0 %acc 0.0 +##N15 total= 0 close= 0 far= 0 %acc 0.0 +##N16 total= 0 close= 0 far= 0 %acc 0.0 +##N17 total= 0 close= 0 far= 0 %acc 0.0 +##N18 total= 0 close= 0 far= 0 %acc 0.0 + Time for refresh 66 0.32 + make_var : nseed= 20 ntry= 420 + Time for make trial 67 0.11 +Nonsetup time 141.41 sec, Eval/s = 57931.11 +Time for iter 67 1.97 sec, Eval/s = 62592.25 + UPDATING 420 + 4 e 643 377 etot -8.9187E+01 mv 1 65 197 -110 0 + 4 e 109 410 etot -8.6117E+01 mv 0 65 185 0 0 + 4 e 52 414 etot -9.0850E+01 mv 0 65 35 0 0 c 35 0.1 0.0 + 4 e 106 408 etot -8.6870E+01 mv 0 65 159 0 0 c 159 0.8 0.0 + 4 e 472 383 etot -8.5957E+01 mv 1 65 37 79 0 + 4 e 2 420 etot -8.8225E+01 mv 0 65 142 0 0 + 4 e 164 409 etot -8.5308E+01 mv 0 65 180 0 0 + 4 e 357 390 etot -7.5326E+01 mv 1 65 13 -130 0 + 4 e 518 398 etot -8.0907E+01 mv 1 65 142 -24 0 + 4 e 431 385 etot -8.1607E+01 mv 1 65 37 -23 0 + -1 e 1 2 etot 1.3528E+20 mv 6 66 2 109 0 + 4 e 247 391 etot -8.8574E+01 mv 1 65 59 161 0 + 4 e 306 395 etot -8.7634E+01 mv 1 65 59 181 0 + 4 e 367 397 etot -8.8223E+01 mv 1 65 142 184 0 + 4 e 321 387 etot -8.8871E+01 mv 1 65 13 -57 0 + 4 e 355 389 etot -8.7194E+01 mv 1 65 13 -43 0 + -1 e 1 7 etot 1.3528E+20 mv 6 66 2 134 0 + -1 e 1 8 etot 1.3528E+20 mv 6 66 2 199 0 + 4 e 451 376 etot -8.6159E+01 mv 1 65 197 -127 0 + 4 e 136 405 etot -8.5659E+01 mv 0 65 50 0 0 + 4 e 282 396 etot -8.6761E+01 mv 1 65 142 -66 0 + 4 e 357 382 etot -8.9074E+01 mv 1 65 37 34 0 + 4 e 103 406 etot -8.4835E+01 mv 0 65 118 0 0 + 4 e 104 404 etot -8.8337E+01 mv 0 65 16 0 0 c 16 1.0 0.0 + 4 e 50 418 etot -8.8871E+01 mv 0 65 13 0 0 c 13 0.1 0.0 + 4 e 345 394 etot 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+ 4 e 348 364 etot -8.8515E+01 mv 1 66 82 147 0 + 4 e 491 355 etot -8.7459E+01 mv 1 66 55 124 0 + 4 e 455 363 etot -8.1611E+01 mv 1 66 82 -102 0 + 4 e 299 376 etot -7.9539E+01 mv 1 66 37 -2 0 + 4 e 131 393 etot -8.8574E+01 mv 1 66 59 155 0 + 4 e 417 367 etot -8.5246E+01 mv 1 66 101 126 0 + 4 e 269 380 etot -8.8886E+01 mv 1 66 37 -55 0 + 4 e 256 382 etot -8.8871E+01 mv 1 66 13 -8 0 + 4 e 166 385 etot -8.8871E+01 mv 1 66 13 162 0 + 4 e 322 378 etot -7.9743E+01 mv 1 66 37 -70 0 + 4 e 388 370 etot -8.7231E+01 mv 1 66 101 102 0 + 4 e 656 323 etot -8.8019E+01 mv 1 66 55 -112 0 c 23 182.7 1.2 + 4 e 327 379 etot -8.9074E+01 mv 1 66 37 -84 0 + 4 e 78 404 etot -8.5966E+01 mv 0 66 50 0 0 c 50 0.5 0.0 + 4 e 99 401 etot -8.5600E+01 mv 0 66 2 0 0 c 2 0.9 0.0 + 4 e 263 377 etot -7.9476E+01 mv 1 66 37 -65 0 + 4 e 2 412 etot -9.0761E+01 mv 0 66 191 0 0 + 4 e 309 388 etot -8.9189E+01 mv 1 66 65 52 0 + 4 e 114 402 etot -8.4875E+01 mv 0 66 21 0 0 c 21 0.6 0.0 + 4 e 2 415 etot -8.9188E+01 mv 0 66 197 0 0 + 4 e 2 416 etot -8.9075E+01 mv 0 66 37 0 0 + 4 e 14 414 etot -8.9909E+01 mv 0 66 101 0 0 + 4 e 2 418 etot -8.9231E+01 mv 0 66 65 0 0 + 4 e 2 419 etot -8.8574E+01 mv 0 66 59 0 0 +## N0 total= 22 close= 9 far= 0 %acc 40.9 +## N1 total= 98 close= 9 far= 0 %acc 9.2 +## N2 total= 100 close= 6 far= 1 %acc 7.0 +## N3 total= 0 close= 0 far= 0 %acc 0.0 +## N4 total= 0 close= 0 far= 0 %acc 0.0 +## N5 total= 0 close= 0 far= 0 %acc 0.0 +## N6 total= 200 close= 7 far= 1 %acc 4.0 +## N7 total= 0 close= 0 far= 0 %acc 0.0 +## N8 total= 0 close= 0 far= 0 %acc 0.0 +## N9 total= 0 close= 0 far= 0 %acc 0.0 +##N10 total= 0 close= 0 far= 0 %acc 0.0 +##N11 total= 0 close= 0 far= 0 %acc 0.0 +##N12 total= 0 close= 0 far= 0 %acc 0.0 +##N13 total= 0 close= 0 far= 0 %acc 0.0 +##N14 total= 0 close= 0 far= 0 %acc 0.0 +##N15 total= 0 close= 0 far= 0 %acc 0.0 +##N16 total= 0 close= 0 far= 0 %acc 0.0 +##N17 total= 0 close= 0 far= 0 %acc 0.0 +##N18 total= 0 close= 0 far= 0 %acc 0.0 + Time for refresh 67 0.63 + make_var : nseed= 20 ntry= 420 + Time for make trial 68 0.10 +Nonsetup time 143.63 sec, Eval/s = 57853.84 +Time for iter 68 2.22 sec, Eval/s = 52928.90 + UPDATING 420 + 4 e 470 392 etot -8.8572E+01 mv 1 66 59 -64 0 + 4 e 43 420 etot -8.9261E+01 mv 0 66 66 0 0 c 66 0.1 0.0 + 4 e 301 395 etot -8.8347E+01 mv 1 66 59 31 0 + 4 e 183 400 etot -8.9261E+01 mv 1 66 66 -84 0 + 4 e 66 410 etot -8.7242E+01 mv 0 66 185 0 0 c 185 0.7 0.0 + 4 e 250 396 etot -8.9261E+01 mv 1 66 66 53 0 + 4 e 570 369 etot -8.1259E+01 mv 1 66 101 46 0 + 4 e 410 398 etot -8.3146E+01 mv 1 66 66 -129 0 + 4 e 492 389 etot -8.4940E+01 mv 1 66 65 -7 0 + 4 e 153 409 etot -8.6646E+01 mv 0 66 154 0 0 + 4 e 94 407 etot -8.6939E+01 mv 0 66 97 0 0 c 97 0.9 0.0 + 4 e 166 403 etot -8.6829E+01 mv 0 66 48 0 0 c 48 1.4 0.0 + 4 e 100 406 etot -8.6743E+01 mv 0 66 78 0 0 c 78 1.3 0.0 + 4 e 554 374 etot -8.9186E+01 mv 1 66 197 168 0 + 4 e 154 411 etot -8.5259E+01 mv 0 66 55 0 0 c 55 1.3 0.0 + -1 e 1 7 etot 1.3528E+20 mv 6 67 23 86 0 + 4 e 496 399 etot -8.9260E+01 mv 1 66 66 139 0 + 4 e 410 384 etot -8.3393E+01 mv 1 66 13 -189 0 + 4 e 513 397 etot -8.7889E+01 mv 1 66 66 -30 0 + 4 e 50 417 etot -8.8871E+01 mv 0 66 13 0 0 + 4 e 338 371 etot -8.9186E+01 mv 1 66 197 84 0 + 4 e 354 375 etot -8.9186E+01 mv 1 66 197 189 0 + 4 e 243 394 etot -7.5408E+01 mv 1 66 59 -144 0 + 4 e 320 383 etot -8.8870E+01 mv 1 66 13 104 0 + 4 e 433 372 etot -8.6158E+01 mv 1 66 197 148 0 + 4 e 508 362 etot -8.5060E+01 mv 1 66 82 -157 0 f 1 288.8 0.7 + 4 e 334 413 etot -9.2233E+01 mv 0 66 82 0 0 + 4 e 93 408 etot -8.6191E+01 mv 0 66 118 0 0 + 4 e 154 405 etot -8.5259E+01 mv 0 66 55 0 0 + 4 e 553 391 etot -8.3220E+01 mv 1 66 59 37 0 + 4 e 385 386 etot -7.5983E+01 mv 1 66 65 166 0 + 4 e 426 381 etot -8.8869E+01 mv 1 66 13 -2 0 + 4 e 15 28 etot -8.4944E+01 mv 6 67 79 96 0 c 96 0.0 0.0 + -1 e 1 20 etot 1.3528E+20 mv 6 67 29 166 0 + 4 e 18 15 etot -8.8116E+01 mv 6 67 29 4 0 c 4 0.0 0.0 + -1 e 1 35 etot 1.3528E+20 mv 6 67 154 61 0 + 4 e 138 26 etot -6.9418E+01 mv 6 67 79 7 0 + 4 e 137 33 etot -8.7479E+01 mv 6 67 154 3 0 c 154 2.5 0.0 + 4 e 208 6 etot -8.8021E+01 mv 6 67 23 13 0 c 23 4.2 0.0 + 4 e 283 2 etot -8.8558E+01 mv 6 67 23 57 0 c 79 126.2 0.9 + 4 e 230 12 etot -8.4601E+01 mv 6 67 29 1 0 c 29 3.6 0.0 + 4 e 241 9 etot -7.1222E+01 mv 6 67 23 50 0 + 4 e 247 19 etot -8.4617E+01 mv 6 67 29 145 0 + 4 e 259 11 etot -8.4601E+01 mv 6 67 29 97 0 + 4 e 258 18 etot -8.4601E+01 mv 6 67 29 101 0 + -1 e 1 45 etot 1.3528E+20 mv 6 67 163 73 0 + 4 e 272 17 etot -7.8370E+01 mv 6 67 29 94 0 + -1 e 1 47 etot 1.3528E+20 mv 6 67 163 131 0 + 4 e 236 36 etot -8.7478E+01 mv 6 67 154 34 0 + -1 e 1 49 etot 1.3528E+20 mv 6 67 163 37 0 + 4 e 297 16 etot -8.3090E+01 mv 6 67 29 72 0 + 4 e 315 5 etot -8.8537E+01 mv 6 67 23 89 0 c 23 68.6 0.5 + 4 e 276 13 etot -8.4600E+01 mv 6 67 29 24 0 + 4 e 394 3 etot -8.6067E+01 mv 6 67 23 46 0 c 55 268.4 0.8 + 4 e 161 31 etot -8.7479E+01 mv 6 67 154 59 0 c 154 0.8 0.0 + 4 e 423 1 etot -8.8556E+01 mv 6 67 23 22 0 + 4 e 338 4 etot -9.0036E+01 mv 6 67 23 134 0 + 4 e 190 39 etot -8.7479E+01 mv 6 67 154 156 0 + 4 e 413 14 etot -7.9926E+01 mv 6 67 29 57 0 + 4 e 421 27 etot -9.1813E+01 mv 6 67 79 114 0 + -1 e 1 60 etot 1.3528E+20 mv 6 67 35 124 0 + 4 e 280 38 etot -8.4744E+01 mv 6 67 154 3 0 + 4 e 232 23 etot -8.6240E+01 mv 6 67 79 135 0 c 118 190.1 0.0 + 4 e 266 41 etot -8.8553E+01 mv 6 67 163 57 0 + -1 e 1 64 etot 1.3528E+20 mv 6 67 101 67 0 + 4 e 511 8 etot -7.8802E+01 mv 6 67 23 166 0 + 4 e 360 40 etot -8.7477E+01 mv 6 67 154 51 0 + 4 e 471 34 etot -8.1463E+01 mv 6 67 154 111 0 + 4 e 254 50 etot -8.7733E+01 mv 6 67 163 178 0 + 4 e 96 62 etot -8.6614E+01 mv 6 67 101 24 0 c 24 0.4 0.0 + 4 e 249 46 etot -8.8554E+01 mv 6 67 163 148 0 c 163 1.4 0.0 + 4 e 420 37 etot -7.5273E+01 mv 6 67 154 90 0 + 4 e 547 25 etot -8.5295E+01 mv 6 67 79 85 0 + -1 e 1 73 etot 1.3528E+20 mv 6 67 106 99 0 + 4 e 343 42 etot -8.1440E+01 mv 6 67 163 130 0 + 4 e 282 21 etot -8.7641E+01 mv 6 67 79 174 0 + 4 e 596 10 etot -8.1374E+01 mv 6 67 23 166 0 + 4 e 328 29 etot -7.8403E+01 mv 6 67 79 195 0 + 4 e 289 30 etot -7.8130E+01 mv 6 67 79 33 0 + 4 e 288 48 etot -8.7469E+01 mv 6 67 163 128 0 + 4 e 345 43 etot -7.6129E+01 mv 6 67 163 144 0 + 4 e 153 67 etot -8.8470E+01 mv 6 67 101 35 0 + -1 e 1 82 etot 1.3528E+20 mv 6 67 54 74 0 + 4 e 412 44 etot -8.1550E+01 mv 6 67 163 148 0 + 4 e 308 22 etot -8.3322E+01 mv 6 67 79 75 0 + 4 e 305 52 etot -8.1461E+01 mv 6 67 35 64 0 + 4 e 296 57 etot -7.9834E+01 mv 6 67 35 3 0 + -1 e 1 87 etot 1.3528E+20 mv 6 67 54 187 0 + 4 e 235 65 etot -7.6540E+01 mv 6 67 101 121 0 + 4 e 231 69 etot -7.5358E+01 mv 6 67 101 59 0 + 4 e 359 51 etot -9.0849E+01 mv 6 67 35 89 0 + -1 e 1 90 etot 1.3528E+20 mv 6 67 54 143 0 + 4 e 151 77 etot -9.0287E+01 mv 6 67 106 198 0 + 4 e 534 56 etot -8.5437E+01 mv 6 67 35 87 0 + 4 e 569 54 etot -7.9598E+01 mv 6 67 35 106 0 + 4 e 237 68 etot -8.5563E+01 mv 6 67 101 51 0 + 4 e 340 58 etot -9.2240E+01 mv 6 67 35 133 0 + 4 e 343 66 etot -7.5760E+01 mv 6 67 101 193 0 + 4 e 249 75 etot -8.4675E+01 mv 6 67 106 53 0 + 4 e 460 59 etot -8.0765E+01 mv 6 67 35 43 0 + 4 e 187 80 etot -7.4615E+01 mv 6 67 106 50 0 + 4 e 323 61 etot -8.8224E+01 mv 6 67 101 142 0 + 4 e 582 53 etot -9.2230E+01 mv 6 67 35 165 0 + 4 e 250 71 etot -8.9092E+01 mv 6 67 106 151 0 + 4 e 229 72 etot -8.9944E+01 mv 6 67 106 160 0 + 4 e 286 83 etot -8.0501E+01 mv 6 67 54 176 0 + 4 e 405 24 etot -8.8593E+01 mv 6 67 79 133 0 + 4 e 148 98 etot -7.2863E+01 mv 6 67 66 81 0 + 4 e 282 88 etot -8.6313E+01 mv 6 67 54 146 0 + 4 e 277 89 etot -8.6060E+01 mv 6 67 54 128 0 + 4 e 188 63 etot -7.1612E+01 mv 6 67 101 70 0 + -1 e 1 111 etot 2.5193E+21 mv 6 67 37 73 0 + 4 e 266 91 etot -8.9261E+01 mv 6 67 66 91 0 + 4 e 310 86 etot -8.6185E+01 mv 6 67 54 189 0 + -1 e 1 114 etot 1.3528E+20 mv 6 67 37 57 0 + 4 e 304 93 etot -8.7996E+01 mv 6 67 66 193 0 + 4 e 245 97 etot -8.9261E+01 mv 6 67 66 54 0 + 4 e 233 103 etot -8.9187E+01 mv 6 67 197 169 0 + 4 e 273 101 etot -6.9328E+01 mv 6 67 197 84 0 + -1 e 1 119 etot 1.3528E+20 mv 6 67 37 147 0 + 4 e 295 96 etot -8.6705E+01 mv 6 67 66 79 0 + 4 e 302 55 etot -8.5830E+01 mv 6 67 35 123 0 + 4 e 299 100 etot -8.5271E+01 mv 6 67 66 51 0 + 4 e 468 92 etot -8.2426E+01 mv 6 67 66 152 0 + 4 e 210 115 etot -8.9075E+01 mv 6 67 37 121 0 + 4 e 567 84 etot -8.4124E+01 mv 6 67 54 129 0 + 4 e 474 70 etot -8.2679E+01 mv 6 67 101 15 0 + 4 e 220 79 etot -8.9944E+01 mv 6 67 106 162 0 + -1 e 1 128 etot 1.3528E+20 mv 6 67 13 103 0 + 4 e 389 104 etot -8.9186E+01 mv 6 67 197 65 0 + 4 e 593 81 etot -7.9322E+01 mv 6 67 54 109 0 + 4 e 508 94 etot -8.1374E+01 mv 6 67 66 40 0 + 4 e 302 113 etot -8.3568E+01 mv 6 67 37 69 0 + 4 e 495 74 etot -8.9942E+01 mv 6 67 106 154 0 + 4 e 342 108 etot -8.9187E+01 mv 6 67 197 11 0 + 4 e 377 106 etot -8.6352E+01 mv 6 67 197 9 0 + 4 e 343 110 etot -8.6159E+01 mv 6 67 197 154 0 + -1 e 1 137 etot 1.3528E+20 mv 6 67 33 124 0 + 4 e 267 78 etot -8.6906E+01 mv 6 67 106 59 0 + 4 e 612 95 etot -7.9826E+01 mv 6 67 66 152 0 + 4 e 265 123 etot -8.0525E+01 mv 6 67 13 3 0 + -1 e 1 141 etot 1.3528E+20 mv 6 67 59 129 0 + 4 e 622 32 etot -8.5812E+01 mv 6 67 154 98 0 + 4 e 339 118 etot -9.0899E+01 mv 6 67 37 68 0 + 4 e 261 124 etot -7.0672E+01 mv 6 67 13 166 0 + -1 e 1 145 etot 1.3528E+20 mv 6 67 59 127 0 + 4 e 314 121 etot -8.3951E+01 mv 6 67 13 78 0 + 4 e 272 85 etot -9.0325E+01 mv 6 67 54 199 0 c 198 50.5 0.0 + -1 e 1 147 etot 1.3528E+20 mv 6 67 59 90 0 + 4 e 198 131 etot -8.1324E+01 mv 6 67 33 170 0 + 4 e 181 132 etot -9.2490E+01 mv 6 67 33 40 0 + -1 e 1 151 etot 1.3528E+20 mv 6 67 142 49 0 + 4 e 302 76 etot -8.9754E+01 mv 6 67 106 17 0 + 4 e 412 117 etot -8.4028E+01 mv 6 67 37 175 0 + 4 e 386 120 etot -8.1294E+01 mv 6 67 37 188 0 + -1 e 1 155 etot 1.3528E+20 mv 6 67 142 37 0 + 4 e 204 133 etot -8.5628E+01 mv 6 67 33 51 0 c 51 42.0 0.1 + 4 e 547 109 etot -8.3738E+01 mv 6 67 197 156 0 + 4 e 703 99 etot -8.1195E+01 mv 6 67 66 23 0 + 4 e 314 125 etot -8.1468E+01 mv 6 67 13 100 0 + 4 e 227 138 etot -8.8619E+01 mv 6 67 33 148 0 + -1 e 1 161 etot 1.3528E+20 mv 6 67 61 119 0 + 4 e 492 116 etot -7.6887E+01 mv 6 67 37 124 0 + -1 e 1 163 etot 1.3528E+20 mv 6 67 61 190 0 + 4 e 341 130 etot -8.8869E+01 mv 6 67 13 101 0 + 4 e 266 127 etot -8.8166E+01 mv 6 67 13 123 0 + -1 e 1 166 etot 1.3528E+20 mv 6 67 61 103 0 + 4 e 228 140 etot -8.9319E+01 mv 6 67 33 174 0 c 174 41.4 0.2 + 4 e 213 144 etot -8.7634E+01 mv 6 67 59 80 0 + -1 e 1 169 etot 1.3528E+20 mv 6 67 61 78 0 + 4 e 552 102 etot -8.1778E+01 mv 6 67 197 32 0 + 4 e 503 105 etot -8.4785E+01 mv 6 67 197 155 0 + 4 e 344 136 etot -9.0336E+01 mv 6 67 33 124 0 + 4 e 375 135 etot -8.9670E+01 mv 6 67 33 45 0 c 145 39.9 0.1 + 4 e 250 149 etot -6.8806E+01 mv 6 67 59 95 0 + 4 e 50 173 etot -8.9009E+01 mv 6 67 137 9 0 c 9 0.2 0.0 + 4 e 343 146 etot -6.5968E+01 mv 6 67 59 60 0 + 4 e 272 112 etot -8.6565E+01 mv 6 67 37 184 0 + 4 e 310 154 etot -6.7697E+01 mv 6 67 142 83 0 + 4 e 150 170 etot -8.5122E+01 mv 6 67 61 120 0 + 4 e 279 158 etot -8.8224E+01 mv 6 67 142 177 0 + 4 e 284 107 etot -8.4743E+01 mv 6 67 197 120 0 + -1 e 1 182 etot 1.3528E+20 mv 6 67 91 89 0 + 4 e 203 168 etot -8.8147E+01 mv 6 67 61 74 0 + -1 e 1 184 etot 1.3528E+20 mv 6 67 91 11 0 + 4 e 297 162 etot -8.8103E+01 mv 6 67 61 11 0 + 4 e 406 152 etot -8.8223E+01 mv 6 67 142 59 0 + 4 e 462 142 etot -8.3174E+01 mv 6 67 59 52 0 + 4 e 350 160 etot -8.2126E+01 mv 6 67 142 10 0 + 4 e 386 156 etot -8.7349E+01 mv 6 67 142 66 0 + 4 e 294 165 etot -8.6594E+01 mv 6 67 61 108 0 + 4 e 686 126 etot -8.1473E+01 mv 6 67 13 48 0 + 4 e 414 134 etot -8.2092E+01 mv 6 67 33 181 0 + 4 e 184 172 etot -8.7959E+01 mv 6 67 137 92 0 + 4 e 150 180 etot -6.8790E+01 mv 6 67 137 182 0 + -1 e 1 195 etot 1.3528E+20 mv 6 67 178 166 0 + 4 e 390 164 etot -8.5737E+01 mv 6 67 61 159 0 + 4 e 186 148 etot -6.3992E+01 mv 6 67 59 13 0 + 4 e 279 174 etot -8.3257E+01 mv 6 67 137 198 0 + 4 e 266 175 etot -8.7959E+01 mv 6 67 137 136 0 + 4 e 231 167 etot -8.8104E+01 mv 6 67 61 180 0 + 4 e 253 129 etot -8.8801E+01 mv 6 67 13 74 0 + 4 e 44 197 etot -8.5445E+01 mv 6 67 178 141 0 c 141 0.3 0.0 + 4 e 553 150 etot -7.7933E+01 mv 6 67 59 184 0 + 8 e 2 198 etot 3.1999E+01 mv 6 67 178 69 0 + 4 e 504 159 etot -8.8224E+01 mv 6 67 142 194 0 + 4 e 249 171 etot -8.3664E+01 mv 6 67 137 119 0 + 4 e 313 177 etot -8.1535E+01 mv 6 67 137 147 0 + 4 e 248 186 etot -7.2763E+01 mv 6 67 91 186 0 + 4 e 606 157 etot -7.8773E+01 mv 6 67 142 54 0 + 4 e 276 187 etot -8.2294E+01 mv 6 67 91 37 0 + 4 e 433 143 etot -8.7123E+01 mv 6 67 59 97 0 + 4 e 454 139 etot -8.7638E+01 mv 6 67 33 9 0 + -1 e 1 213 etot 1.3528E+20 mv 2 67 79 -78 0 + -1 e 1 214 etot 1.3528E+20 mv 2 67 79 -142 0 + 4 e 273 191 etot -8.7680E+01 mv 6 67 178 32 0 + 4 e 277 192 etot -8.4985E+01 mv 6 67 178 106 0 c 167 5.8 0.2 + 4 e 230 199 etot -8.4985E+01 mv 6 67 178 183 0 c 167 1.1 0.0 + 4 e 209 204 etot -6.8841E+01 mv 2 67 23 -112 0 + 4 e 437 179 etot -8.3527E+01 mv 6 67 137 31 0 + 4 e 353 189 etot -8.1323E+01 mv 6 67 91 9 0 + 4 e 296 196 etot -8.7680E+01 mv 6 67 178 111 0 + 4 e 272 153 etot -8.3775E+01 mv 6 67 142 131 0 + 4 e 372 190 etot -8.6525E+01 mv 6 67 91 183 0 + 4 e 251 206 etot -8.1965E+01 mv 2 67 29 -74 0 + 4 e 398 188 etot -8.1420E+01 mv 6 67 91 140 0 + 4 e 500 181 etot -7.9909E+01 mv 6 67 91 152 0 + 4 e 599 176 etot -8.6519E+01 mv 6 67 137 165 0 + 4 e 104 215 etot -8.7674E+01 mv 2 67 79 -4 0 + 4 e 480 185 etot -8.3583E+01 mv 6 67 91 61 0 + 4 e 209 210 etot -8.4601E+01 mv 2 67 29 -140 0 + 4 e 388 200 etot -8.5479E+01 mv 6 67 178 109 0 f 131 320.8 1.0 + 4 e 296 194 etot -7.3394E+01 mv 6 67 178 15 0 + 4 e 283 208 etot -8.4204E+01 mv 2 67 29 -4 0 + 4 e 337 193 etot -9.2490E+01 mv 6 67 178 6 0 + 4 e 280 211 etot -7.8274E+01 mv 2 67 79 -139 0 + 4 e 317 209 etot -7.7736E+01 mv 2 67 29 -49 0 + 4 e 418 203 etot -8.5258E+01 mv 2 67 23 -41 0 c 29 90.0 0.7 + 4 e 231 178 etot -8.3901E+01 mv 6 67 137 114 0 + 4 e 441 122 etot -8.2527E+01 mv 6 67 13 133 0 + 4 e 281 183 etot -8.3223E+01 mv 6 67 91 12 0 + 4 e 328 207 etot -7.1190E+01 mv 2 67 29 -172 0 + 4 e 269 221 etot -8.0823E+01 mv 2 67 163 -97 0 + 4 e 200 227 etot -9.0850E+01 mv 2 67 35 -110 0 + -1 e 1 244 etot 1.3528E+20 mv 2 67 54 -22 0 + 4 e 262 222 etot -6.5092E+01 mv 2 67 163 -140 0 + 4 e 239 224 etot -8.7511E+01 mv 2 67 163 -74 0 + 4 e 188 231 etot -7.0212E+01 mv 2 67 101 -132 0 + 4 e 259 225 etot -8.8553E+01 mv 2 67 163 -63 0 + 4 e 208 232 etot -7.1619E+01 mv 2 67 101 -76 0 + 4 e 394 218 etot -7.0229E+01 mv 2 67 154 -29 0 + 4 e 425 201 etot -9.0456E+01 mv 2 67 23 -49 0 + -1 e 1 252 etot 3.1607E+28 mv 2 67 197 115 0 + 4 e 155 238 etot -8.9945E+01 mv 2 67 106 95 0 + 4 e 340 226 etot -7.1989E+01 mv 2 67 35 -186 0 + 4 e 316 212 etot -7.3708E+01 mv 2 67 79 -4 0 + 4 e 275 205 etot -8.8021E+01 mv 2 67 23 -64 0 + 4 e 241 223 etot -8.7140E+01 mv 2 67 163 -3 0 + 4 e 384 220 etot -8.0997E+01 mv 2 67 154 -25 0 + 4 e 449 216 etot -8.1795E+01 mv 2 67 154 -91 0 + 4 e 285 234 etot -6.9887E+01 mv 2 67 101 -143 0 + 4 e 360 228 etot -8.4741E+01 mv 2 67 35 -19 0 + 4 e 188 243 etot -8.9262E+01 mv 2 67 54 -123 0 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-24 0 + 4 e 283 255 etot -8.9187E+01 mv 2 67 197 102 0 + 4 e 197 265 etot -8.8871E+01 mv 2 67 13 164 0 + -1 e 1 286 etot 1.3528E+20 mv 2 67 137 51 0 + 4 e 210 262 etot -8.8871E+01 mv 2 67 13 144 0 + 4 e 346 235 etot -8.4558E+01 mv 2 67 101 -155 0 + 4 e 370 233 etot -8.9843E+01 mv 2 67 101 107 0 + -1 e 1 289 etot 1.3528E+20 mv 2 67 137 67 0 + 4 e 245 264 etot -7.4775E+01 mv 2 67 13 -47 0 + 4 e 157 275 etot -8.8574E+01 mv 2 67 59 -27 0 + 4 e 261 267 etot -9.0337E+01 mv 2 67 33 59 0 + 4 e 382 239 etot -7.6680E+01 mv 2 67 106 -188 0 + 4 e 271 258 etot -8.9073E+01 mv 2 67 37 116 0 + 4 e 494 229 etot -8.0010E+01 mv 2 67 35 -181 0 + 8 e 25 295 etot -6.3992E+01 mv 2 67 91 -151 0 + 4 e 426 259 etot -7.3757E+01 mv 2 67 37 -114 0 + 4 e 182 285 etot -8.8104E+01 mv 2 67 61 185 0 + 4 e 369 268 etot -9.1458E+01 mv 2 67 33 17 0 + 4 e 412 242 etot -7.5638E+01 mv 2 67 54 -136 0 + 4 e 218 281 etot -8.7565E+01 mv 2 67 61 72 0 + -1 e 1 303 etot 1.3528E+20 mv 1 67 23 -170 0 + 4 e 218 283 etot -7.9110E+01 mv 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1.3528E+20 mv 1 67 33 -149 0 + 4 e 208 347 etot -8.7821E+01 mv 1 67 66 171 0 + 4 e 509 302 etot -8.5495E+01 mv 1 67 23 -178 0 + 4 e 222 338 etot -8.6812E+01 mv 1 67 106 190 0 + 4 e 149 345 etot -8.9262E+01 mv 1 67 54 -150 0 + 4 e 414 334 etot -8.7824E+01 mv 1 67 101 -96 0 + 4 e 699 311 etot -8.4139E+01 mv 1 67 79 -10 0 + 4 e 266 339 etot -9.0144E+01 mv 1 67 106 112 0 c 106 123.7 0.2 + 4 e 568 297 etot -7.8401E+01 mv 2 67 178 -147 0 + 4 e 274 337 etot -8.6811E+01 mv 1 67 106 50 0 + 4 e 278 343 etot -8.9261E+01 mv 1 67 54 24 0 + 4 e 247 342 etot -8.9262E+01 mv 1 67 54 9 0 + 4 e 215 351 etot -8.9187E+01 mv 1 67 197 44 0 + 4 e 375 349 etot -8.8694E+01 mv 1 67 66 82 0 + 4 e 232 365 etot -8.8871E+01 mv 1 67 13 -107 0 + 4 e 599 332 etot -7.9352E+01 mv 1 67 101 9 0 + 4 e 293 360 etot -8.9074E+01 mv 1 67 37 -122 0 + 4 e 336 356 etot -8.9074E+01 mv 1 67 37 -170 0 + 4 e 319 361 etot -8.8870E+01 mv 1 67 13 -142 0 + 4 e 515 341 etot -8.4100E+01 mv 1 67 54 -71 0 + -1 e 1 386 etot 1.3528E+20 mv 1 67 137 180 0 + 4 e 180 369 etot -8.9874E+01 mv 1 67 33 64 0 + 4 e 169 371 etot -8.8574E+01 mv 1 67 59 66 0 + 4 e 256 358 etot -8.9073E+01 mv 1 67 37 -13 0 + 4 e 342 344 etot -7.4449E+01 mv 1 67 54 19 0 + 4 e 439 352 etot -8.9185E+01 mv 1 67 197 -73 0 + 4 e 321 367 etot -8.8749E+01 mv 1 67 33 -139 0 + 4 e 392 364 etot -7.8176E+01 mv 1 67 13 -192 0 + 4 e 346 368 etot -8.8030E+01 mv 1 67 33 135 0 + 4 e 150 378 etot -8.8225E+01 mv 1 67 142 65 0 + 4 e 321 372 etot -8.7634E+01 mv 1 67 59 -24 0 + 4 e 285 363 etot -7.7394E+01 mv 1 67 13 32 0 + 4 e 508 355 etot -8.9186E+01 mv 1 67 197 -16 0 + 4 e 220 375 etot -8.8574E+01 mv 1 67 59 9 0 + 4 e 520 354 etot -7.8684E+01 mv 1 67 197 -192 0 + 4 e 506 357 etot -8.6582E+01 mv 1 67 37 -64 0 + 4 e 378 373 etot -8.7536E+01 mv 1 67 59 -160 0 + 4 e 221 381 etot -8.8104E+01 mv 1 67 61 113 0 + 4 e 197 383 etot -8.8104E+01 mv 1 67 61 -95 0 + 4 e 425 374 etot -8.8573E+01 mv 1 67 59 67 0 + 4 e 14 406 etot -9.0850E+01 mv 0 67 35 0 0 c 35 0.0 0.0 + 4 e 660 350 etot -8.4696E+01 mv 1 67 66 -47 0 + 4 e 21 407 etot -8.9909E+01 mv 0 67 101 0 0 + 4 e 10 408 etot -8.9945E+01 mv 0 67 106 0 0 + 4 e 418 377 etot -8.6760E+01 mv 1 67 142 109 0 + 4 e 188 393 etot -8.7814E+01 mv 1 67 91 14 0 + 4 e 240 385 etot -8.4266E+01 mv 1 67 61 -126 0 + 4 e 2 411 etot -8.9188E+01 mv 0 67 197 0 0 + 4 e 12 409 etot -8.9262E+01 mv 0 67 54 0 0 c 54 0.0 0.0 + 4 e 2 412 etot -8.9075E+01 mv 0 67 37 0 0 + 4 e 387 362 etot -8.3250E+01 mv 1 67 13 60 0 + 4 e 2 415 etot -8.8574E+01 mv 0 67 59 0 0 + 4 e 2 416 etot -8.8225E+01 mv 0 67 142 0 0 + 4 e 2 419 etot -8.7814E+01 mv 0 67 91 0 0 +## N0 total= 20 close= 8 far= 0 %acc 40.0 +## N1 total= 100 close= 2 far= 1 %acc 3.0 +## N2 total= 100 close= 1 far= 0 %acc 1.0 +## N3 total= 0 close= 0 far= 0 %acc 0.0 +## N4 total= 0 close= 0 far= 0 %acc 0.0 +## N5 total= 0 close= 0 far= 0 %acc 0.0 +## N6 total= 200 close= 20 far= 1 %acc 10.5 +## N7 total= 0 close= 0 far= 0 %acc 0.0 +## N8 total= 0 close= 0 far= 0 %acc 0.0 +## N9 total= 0 close= 0 far= 0 %acc 0.0 +##N10 total= 0 close= 0 far= 0 %acc 0.0 +##N11 total= 0 close= 0 far= 0 %acc 0.0 +##N12 total= 0 close= 0 far= 0 %acc 0.0 +##N13 total= 0 close= 0 far= 0 %acc 0.0 +##N14 total= 0 close= 0 far= 0 %acc 0.0 +##N15 total= 0 close= 0 far= 0 %acc 0.0 +##N16 total= 0 close= 0 far= 0 %acc 0.0 +##N17 total= 0 close= 0 far= 0 %acc 0.0 +##N18 total= 0 close= 0 far= 0 %acc 0.0 + Time for refresh 68 0.28 + make_var : nseed= 20 ntry= 420 + Time for make trial 69 0.05 +Nonsetup time 145.50 sec, Eval/s = 57981.82 +Time for iter 69 1.87 sec, Eval/s = 67805.80 + UPDATING 420 + 4 e 90 405 etot -8.8554E+01 mv 0 67 163 0 0 c 163 1.3 0.0 + 4 e 101 404 etot -8.7479E+01 mv 0 67 154 0 0 c 154 0.8 0.0 + 4 e 178 395 etot -8.7814E+01 mv 1 67 91 12 0 + 4 e 12 418 etot -8.7959E+01 mv 0 67 137 0 0 c 137 0.0 0.0 + 4 e 131 401 etot -8.8022E+01 mv 0 67 23 0 0 + 4 e 265 392 etot -8.4874E+01 mv 1 67 91 -147 0 + 4 e 383 384 etot -7.6473E+01 mv 1 67 61 -177 0 + 4 e 12 413 etot -8.8871E+01 mv 0 67 13 0 0 c 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0 + 4 e 277 44 etot -8.1198E+01 mv 6 68 55 37 0 + 4 e 517 22 etot -8.6349E+01 mv 6 68 29 48 0 c 29 136.3 1.1 + 4 e 342 48 etot -8.7934E+01 mv 6 68 55 17 0 + 4 e 556 7 etot -8.0468E+01 mv 6 68 1 75 0 + 4 e 287 41 etot -6.7767E+01 mv 6 68 55 132 0 + 4 e 364 49 etot -8.2660E+01 mv 6 68 55 64 0 + 4 e 304 43 etot -8.6353E+01 mv 6 68 55 191 0 + 4 e 277 53 etot -8.6672E+01 mv 6 68 79 118 0 c 118 101.8 0.4 + 4 e 615 24 etot -7.9432E+01 mv 6 68 29 59 0 + -1 e 1 80 etot 1.3528E+20 mv 6 68 106 141 0 + -1 e 1 81 etot 1.3528E+20 mv 6 68 118 184 0 + 4 e 331 46 etot -7.7588E+01 mv 6 68 55 83 0 + 4 e 484 36 etot -7.8654E+01 mv 6 68 51 139 0 + 4 e 298 52 etot -8.6375E+01 mv 6 68 79 54 0 + 4 e 256 62 etot -9.0143E+01 mv 6 68 101 53 0 c 101 0.9 0.0 + -1 e 1 84 etot 1.3528E+20 mv 6 68 118 113 0 + 4 e 339 47 etot -8.6553E+01 mv 6 68 55 3 0 + -1 e 1 88 etot 1.3528E+20 mv 6 68 118 150 0 + -1 e 1 89 etot 1.3528E+20 mv 6 68 118 119 0 + -1 e 1 90 etot 1.3528E+20 mv 6 68 118 169 0 + 4 e 672 34 etot -8.5364E+01 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0 0 + 4 e 2 417 etot -8.9075E+01 mv 0 68 37 0 0 + 4 e 95 405 etot -8.6067E+01 mv 0 68 55 0 0 c 55 0.8 0.0 +## N0 total= 17 close= 9 far= 0 %acc 52.9 +## N1 total= 103 close= 8 far= 0 %acc 7.8 +## N2 total= 100 close= 3 far= 0 %acc 3.0 +## N3 total= 0 close= 0 far= 0 %acc 0.0 +## N4 total= 0 close= 0 far= 0 %acc 0.0 +## N5 total= 0 close= 0 far= 0 %acc 0.0 +## N6 total= 200 close= 11 far= 0 %acc 5.5 +## N7 total= 0 close= 0 far= 0 %acc 0.0 +## N8 total= 0 close= 0 far= 0 %acc 0.0 +## N9 total= 0 close= 0 far= 0 %acc 0.0 +##N10 total= 0 close= 0 far= 0 %acc 0.0 +##N11 total= 0 close= 0 far= 0 %acc 0.0 +##N12 total= 0 close= 0 far= 0 %acc 0.0 +##N13 total= 0 close= 0 far= 0 %acc 0.0 +##N14 total= 0 close= 0 far= 0 %acc 0.0 +##N15 total= 0 close= 0 far= 0 %acc 0.0 +##N16 total= 0 close= 0 far= 0 %acc 0.0 +##N17 total= 0 close= 0 far= 0 %acc 0.0 +##N18 total= 0 close= 0 far= 0 %acc 0.0 + Time for refresh 69 0.27 + make_var : nseed= 20 ntry= 420 + Time for make trial 70 0.08 +Nonsetup time 147.39 sec, Eval/s = 58092.84 +Time for iter 70 1.89 sec, Eval/s = 66654.87 + UPDATING 420 + 4 e 465 384 etot -7.8962E+01 mv 1 68 37 -110 0 + 4 e 195 396 etot -8.8483E+01 mv 1 68 158 54 0 + 4 e 116 409 etot -8.6241E+01 mv 0 68 118 0 0 + 4 e 308 393 etot -7.6351E+01 mv 1 68 135 -28 0 + 4 e 513 387 etot -8.8571E+01 mv 1 68 59 -60 0 + 4 e 121 411 etot -8.9671E+01 mv 0 68 145 0 0 c 145 1.4 0.0 + 4 e 418 400 etot -8.8482E+01 mv 1 68 158 1 0 + 4 e 330 397 etot -8.8482E+01 mv 1 68 158 -24 0 + 4 e 2 418 etot -8.8574E+01 mv 0 68 59 0 0 + 4 e 241 410 etot -8.5481E+01 mv 0 68 131 0 0 + 4 e 580 381 etot -7.9191E+01 mv 1 68 37 -113 0 + 4 e 2 419 etot -8.8558E+01 mv 0 68 135 0 0 + 4 e 10 420 etot -8.8483E+01 mv 0 68 158 0 0 c 158 0.0 0.0 + 4 e 535 367 etot -6.9256E+01 mv 1 68 198 -98 0 + 4 e 499 398 etot -7.9903E+01 mv 1 68 158 -2 0 + 4 e 540 371 etot -7.4179E+01 mv 1 68 28 130 0 + 4 e 395 399 etot -8.0926E+01 mv 1 68 158 173 0 + 4 e 70 414 etot -9.0326E+01 mv 0 68 198 0 0 c 198 0.8 0.0 + 4 e 392 394 etot -7.8529E+01 mv 1 68 135 -156 0 + 4 e 344 382 etot -8.8620E+01 mv 1 68 37 -5 0 + 4 e 20 415 etot -8.5443E+01 mv 0 68 28 0 0 c 28 0.0 0.0 + 4 e 426 368 etot -7.8668E+01 mv 1 68 198 -134 0 + 4 e 321 388 etot -8.8573E+01 mv 1 68 59 -200 0 + -1 e 1 17 etot 1.3528E+20 mv 6 69 96 24 0 + 4 e 98 401 etot -8.5062E+01 mv 0 68 1 0 0 c 1 0.8 0.0 + 4 e 114 406 etot -8.8559E+01 mv 0 68 79 0 0 c 79 1.2 0.0 + 4 e 129 402 etot -8.8538E+01 mv 0 68 23 0 0 c 23 0.5 0.0 + 4 e 95 412 etot -8.4985E+01 mv 0 68 167 0 0 c 167 0.4 0.0 + 4 e 123 408 etot -9.0145E+01 mv 0 68 106 0 0 c 106 1.5 0.0 + 4 e 482 386 etot -8.8571E+01 mv 1 68 59 -162 0 + 4 e 93 413 etot -8.9319E+01 mv 0 68 174 0 0 c 174 0.7 0.0 + 4 e 293 395 etot -8.9292E+01 mv 1 68 135 -170 0 + -1 e 1 31 etot 1.3528E+20 mv 6 69 118 12 0 + -1 e 1 32 etot 1.3528E+20 mv 6 69 118 141 0 + -1 e 1 34 etot 1.3528E+20 mv 6 69 118 153 0 + -1 e 1 6 etot 1.3528E+20 mv 6 69 29 10 0 + -1 e 1 15 etot 1.3528E+20 mv 6 69 96 9 0 + 4 e 229 5 etot -8.6095E+01 mv 6 69 29 60 0 + 4 e 248 7 etot -8.1487E+01 mv 6 69 29 102 0 + 4 e 266 29 etot -9.0193E+01 mv 6 69 101 56 0 c 101 2.0 0.0 + 4 e 266 24 etot -7.5720E+01 mv 6 69 101 155 0 + 4 e 289 27 etot -7.9380E+01 mv 6 69 101 113 0 + 4 e 297 3 etot -8.6191E+01 mv 6 69 29 178 0 + 4 e 270 22 etot -7.0698E+01 mv 6 69 101 79 0 + 4 e 306 10 etot -7.5365E+01 mv 6 69 29 119 0 + 4 e 311 8 etot -8.6392E+01 mv 6 69 29 126 0 c 29 29.5 0.0 + 4 e 336 11 etot -8.2504E+01 mv 6 69 96 73 0 + 4 e 340 12 etot -7.8644E+01 mv 6 69 96 148 0 + 4 e 351 19 etot -8.0922E+01 mv 6 69 96 9 0 + 4 e 403 2 etot -9.0798E+01 mv 6 69 29 200 0 + 4 e 358 18 etot -8.1017E+01 mv 6 69 96 105 0 + 4 e 406 1 etot -8.4714E+01 mv 6 69 29 97 0 + 4 e 369 35 etot -8.6780E+01 mv 6 69 118 170 0 + 4 e 368 16 etot -8.2737E+01 mv 6 69 96 190 0 + 4 e 374 28 etot -7.4788E+01 mv 6 69 101 92 0 + 4 e 355 36 etot -8.3450E+01 mv 6 69 118 165 0 + 4 e 383 25 etot -8.0839E+01 mv 6 69 101 112 0 + 4 e 373 9 etot -9.0796E+01 mv 6 69 29 47 0 + 4 e 418 23 etot 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69 118 86 0 + 4 e 277 48 etot -8.1178E+01 mv 6 69 131 57 0 + 4 e 323 42 etot -7.7176E+01 mv 6 69 131 137 0 + 4 e 232 64 etot -8.5187E+01 mv 6 69 189 92 0 + 4 e 247 63 etot -8.1562E+01 mv 6 69 189 140 0 + -1 e 1 83 etot 1.3528E+20 mv 6 69 33 14 0 + 4 e 402 50 etot -8.6497E+01 mv 6 69 131 87 0 + -1 e 1 85 etot 1.3528E+20 mv 6 69 33 73 0 + 4 e 194 65 etot -8.5170E+01 mv 6 69 189 160 0 c 189 6.2 0.3 + 4 e 273 53 etot -8.5581E+01 mv 6 69 133 26 0 + 4 e 597 21 etot -8.1603E+01 mv 6 69 101 39 0 + 4 e 349 60 etot -8.6552E+01 mv 6 69 133 104 0 + 4 e 147 69 etot -7.5107E+01 mv 6 69 189 158 0 + 4 e 280 55 etot -8.1155E+01 mv 6 69 133 181 0 + 4 e 388 40 etot -7.4135E+01 mv 6 69 118 72 0 + 4 e 275 58 etot -8.7083E+01 mv 6 69 133 84 0 c 133 2.2 0.0 + 4 e 287 57 etot -8.7083E+01 mv 6 69 133 158 0 + 4 e 209 67 etot -8.5201E+01 mv 6 69 189 193 0 c 189 51.1 0.0 + 4 e 232 61 etot -7.4841E+01 mv 6 69 189 25 0 + 4 e 210 73 etot -8.6354E+01 mv 6 69 83 147 0 + 4 e 307 70 etot -7.6629E+01 mv 6 69 189 142 0 + 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59 etot -8.6855E+01 mv 6 69 133 53 0 + 4 e 223 123 etot -8.6634E+01 mv 6 69 115 149 0 + 4 e 452 81 etot -8.8934E+01 mv 6 69 33 43 0 + 4 e 254 122 etot -8.9325E+01 mv 6 69 115 1 0 + -1 e 1 145 etot 1.3528E+20 mv 6 69 37 111 0 + 4 e 173 129 etot -9.0747E+01 mv 6 69 115 11 0 + 4 e 334 118 etot -8.7419E+01 mv 6 69 66 138 0 + 4 e 231 127 etot -8.0792E+01 mv 6 69 115 175 0 + 4 e 112 134 etot -8.2705E+01 mv 6 69 197 7 0 + 4 e 379 116 etot -7.1187E+01 mv 6 69 66 59 0 + 4 e 253 128 etot -8.8220E+01 mv 6 69 115 195 0 + 4 e 470 95 etot -8.9571E+01 mv 6 69 106 18 0 + -1 e 1 153 etot 1.3528E+20 mv 6 69 13 28 0 + 4 e 345 110 etot -8.7550E+01 mv 6 69 54 62 0 + 4 e 330 113 etot -7.6131E+01 mv 6 69 66 107 0 + -1 e 1 155 etot 1.3528E+20 mv 6 69 13 68 0 + 4 e 250 126 etot -8.9602E+01 mv 6 69 115 102 0 + 4 e 331 135 etot -8.8222E+01 mv 6 69 197 5 0 + 4 e 439 124 etot -8.1032E+01 mv 6 69 115 125 0 + 4 e 527 117 etot -9.0281E+01 mv 6 69 66 30 0 + 4 e 550 114 etot -7.5694E+01 mv 6 69 66 20 0 + 4 e 232 143 etot -8.9075E+01 mv 6 69 37 155 0 + 4 e 515 121 etot -7.5438E+01 mv 6 69 115 63 0 + 4 e 428 132 etot -7.2133E+01 mv 6 69 197 196 0 + 4 e 356 140 etot -8.8224E+01 mv 6 69 197 57 0 + 4 e 434 131 etot -7.8430E+01 mv 6 69 197 74 0 + 4 e 267 138 etot -8.4285E+01 mv 6 69 197 184 0 + 4 e 464 133 etot -8.8221E+01 mv 6 69 197 172 0 + 4 e 144 159 etot -6.6093E+01 mv 6 69 13 55 0 + 4 e 624 120 etot -9.1336E+01 mv 6 69 66 116 0 + 4 e 233 144 etot -9.0235E+01 mv 6 69 37 6 0 + 4 e 268 142 etot -8.9074E+01 mv 6 69 37 26 0 + 4 e 344 147 etot -8.9073E+01 mv 6 69 37 14 0 + 4 e 342 148 etot -8.8763E+01 mv 6 69 37 178 0 + 4 e 293 152 etot -8.8501E+01 mv 6 69 13 17 0 + 4 e 565 136 etot -7.9833E+01 mv 6 69 197 177 0 + 4 e 392 151 etot -8.4134E+01 mv 6 69 13 122 0 + -1 e 1 178 etot 1.3528E+20 mv 6 69 158 81 0 + 4 e 564 137 etot -8.7768E+01 mv 6 69 197 94 0 + 4 e 246 160 etot -8.8568E+01 mv 6 69 13 178 0 + 4 e 213 156 etot -8.8871E+01 mv 6 69 13 116 0 + 4 e 422 130 etot -8.5553E+01 mv 6 69 115 166 0 + 4 e 436 149 etot -8.6440E+01 mv 6 69 37 179 0 + 4 e 223 157 etot -8.5613E+01 mv 6 69 13 4 0 + -1 e 1 185 etot 1.3528E+20 mv 6 69 142 193 0 + 4 e 372 139 etot -8.5309E+01 mv 6 69 197 28 0 + 4 e 273 154 etot -8.6928E+01 mv 6 69 13 130 0 + 4 e 219 158 etot -8.5613E+01 mv 6 69 13 34 0 + 4 e 228 169 etot -8.7634E+01 mv 6 69 59 64 0 + 4 e 551 146 etot -8.6565E+01 mv 6 69 37 157 0 + 4 e 355 162 etot -8.6232E+01 mv 6 69 59 174 0 + -1 e 1 192 etot 1.3528E+20 mv 6 69 150 149 0 + 4 e 486 125 etot -8.0670E+01 mv 6 69 115 84 0 + -1 e 1 194 etot 1.3528E+20 mv 6 69 150 133 0 + 4 e 311 167 etot -8.6797E+01 mv 6 69 59 102 0 + 4 e 352 165 etot -6.5658E+01 mv 6 69 59 143 0 + 4 e 379 150 etot -8.2659E+01 mv 6 69 37 193 0 + 4 e 177 173 etot -7.3067E+01 mv 6 69 158 3 0 + -1 e 1 199 etot 1.3528E+20 mv 6 69 150 84 0 + 4 e 422 164 etot -7.3395E+01 mv 6 69 59 119 0 + 4 e 317 170 etot -8.7634E+01 mv 6 69 59 82 0 + 4 e 230 180 etot -7.8842E+01 mv 6 69 158 80 0 + 4 e 299 176 etot -8.4782E+01 mv 6 69 158 161 0 f 170 282.2 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432 275 etot -8.9074E+01 mv 2 69 37 -53 0 + 4 e 360 269 etot -8.9187E+01 mv 2 69 197 49 0 + 4 e 684 257 etot -8.6476E+01 mv 2 69 66 -136 0 f 58 363.8 2.0 + 4 e 130 298 etot -8.8215E+01 mv 2 69 150 59 0 + 4 e 326 287 etot -8.8482E+01 mv 2 69 158 9 0 + 4 e 334 286 etot -8.6188E+01 mv 2 69 158 -44 0 + 4 e 368 281 etot -8.1721E+01 mv 2 69 59 -62 0 + 4 e 306 277 etot -6.9044E+01 mv 2 69 13 193 0 + -1 e 1 312 etot 1.3528E+20 mv 1 69 101 -171 0 + -1 e 1 313 etot 1.3528E+20 mv 1 69 101 -130 0 + 4 e 211 289 etot -7.1987E+01 mv 2 69 158 -18 0 + 4 e 231 295 etot -8.6018E+01 mv 2 69 142 -27 0 + 4 e 165 301 etot -8.6352E+01 mv 1 69 29 -102 0 + 4 e 429 282 etot -7.3620E+01 mv 2 69 59 -74 0 + 4 e 215 299 etot -7.6414E+01 mv 2 69 150 177 0 + 4 e 323 279 etot -8.8870E+01 mv 2 69 13 -170 0 + 4 e 526 262 etot -7.8586E+01 mv 2 69 115 -102 0 + 4 e 336 292 etot -8.4241E+01 mv 2 69 142 -91 0 + 4 e 370 294 etot -7.2727E+01 mv 2 69 142 -166 0 + 4 e 420 290 etot -8.6611E+01 mv 2 69 158 178 0 + 4 e 169 311 etot 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354 324 etot -7.9976E+01 mv 1 69 131 -161 0 + 4 e 369 303 etot -7.4190E+01 mv 1 69 29 -146 0 + 4 e 231 332 etot -8.4374E+01 mv 1 69 189 -59 0 + 4 e 270 330 etot -8.7083E+01 mv 1 69 133 -138 0 + 4 e 401 321 etot -8.2408E+01 mv 1 69 131 -72 0 + 4 e 451 315 etot -8.5749E+01 mv 1 69 101 -164 0 + 4 e 348 317 etot -7.8264E+01 mv 1 69 118 -14 0 + 4 e 303 333 etot -7.9696E+01 mv 1 69 189 -49 0 + -1 e 1 354 etot 1.3528E+20 mv 1 69 54 -56 0 + 4 e 427 302 etot -8.5409E+01 mv 1 69 29 -38 0 + 4 e 175 341 etot -9.0337E+01 mv 1 69 33 -122 0 + 4 e 315 323 etot -7.6748E+01 mv 1 69 131 -141 0 + 4 e 330 325 etot -8.6496E+01 mv 1 69 131 -191 0 + 4 e 162 338 etot -8.6354E+01 mv 1 69 83 189 0 + 4 e 432 306 etot -8.1477E+01 mv 1 69 96 -15 0 + 4 e 555 318 etot -7.8342E+01 mv 1 69 118 -132 0 + -1 e 1 362 etot 1.3528E+20 mv 1 69 115 -41 0 + 4 e 217 336 etot -8.6354E+01 mv 1 69 83 154 0 + 4 e 307 337 etot -8.6354E+01 mv 1 69 83 -47 0 + 4 e 379 334 etot -8.4859E+01 mv 1 69 189 -93 0 + 4 e 205 346 etot -9.0144E+01 mv 1 69 106 127 0 + -1 e 1 367 etot 1.3528E+20 mv 1 69 197 106 0 + 4 e 383 322 etot -8.2081E+01 mv 1 69 131 -112 0 + 4 e 194 339 etot -8.6355E+01 mv 1 69 83 108 0 + 4 e 181 351 etot -8.9262E+01 mv 1 69 54 -175 0 + 4 e 251 344 etot -9.0337E+01 mv 1 69 33 103 0 + 4 e 285 343 etot -9.1459E+01 mv 1 69 33 62 0 + 4 e 424 327 etot -7.8329E+01 mv 1 69 133 -118 0 + -1 e 1 374 etot 1.3528E+20 mv 1 69 37 60 0 + 4 e 595 297 etot -7.5644E+01 mv 2 69 150 197 0 + 4 e 461 335 etot -7.9776E+01 mv 1 69 189 -18 0 + 4 e 190 348 etot -9.0144E+01 mv 1 69 106 -4 0 + 4 e 387 328 etot -7.8972E+01 mv 1 69 133 -56 0 + 4 e 186 365 etot -8.9602E+01 mv 1 69 115 39 0 + 4 e 240 363 etot -8.6663E+01 mv 1 69 115 -99 0 + 4 e 300 355 etot -8.9262E+01 mv 1 69 54 68 0 + 4 e 408 345 etot -9.0336E+01 mv 1 69 33 170 0 + 4 e 138 369 etot -7.0997E+01 mv 1 69 197 47 0 + 4 e 383 349 etot -8.5785E+01 mv 1 69 106 -33 0 + 4 e 358 352 etot -8.7197E+01 mv 1 69 54 -183 0 + 4 e 643 329 etot -7.6619E+01 mv 1 69 133 -134 0 + 4 e 520 340 etot -8.2500E+01 mv 1 69 83 -117 0 + 4 e 367 342 etot -8.8539E+01 mv 1 69 33 -4 0 + 4 e 298 368 etot -8.9187E+01 mv 1 69 197 49 0 + 4 e 470 350 etot -8.2548E+01 mv 1 69 106 102 0 + 4 e 274 373 etot -8.9074E+01 mv 1 69 37 194 0 + -1 e 1 392 etot 3.9604E+24 mv 1 69 142 63 0 + 4 e 261 375 etot -8.9074E+01 mv 1 69 37 -51 0 + 4 e 295 353 etot -7.8864E+01 mv 1 69 54 -199 0 + 4 e 278 360 etot -8.9261E+01 mv 1 69 66 179 0 + 4 e 520 347 etot -9.0141E+01 mv 1 69 106 -126 0 + 4 e 299 372 etot -8.8505E+01 mv 1 69 37 59 0 + 4 e 242 364 etot -8.9602E+01 mv 1 69 115 194 0 + -1 e 1 399 etot 1.3528E+20 mv 1 69 150 -44 0 + 4 e 162 380 etot -8.8871E+01 mv 1 69 13 -17 0 + 4 e 338 371 etot -8.2260E+01 mv 1 69 37 150 0 + 4 e 186 382 etot -7.4315E+01 mv 1 69 59 -51 0 + 4 e 310 377 etot -8.8871E+01 mv 1 69 13 -154 0 + 4 e 195 386 etot -8.8483E+01 mv 1 69 158 48 0 + 4 e 312 361 etot -8.9601E+01 mv 1 69 115 104 0 + 4 e 226 383 etot -8.8574E+01 mv 1 69 59 11 0 + 4 e 216 385 etot -8.8574E+01 mv 1 69 59 -76 0 + 4 e 438 366 etot -8.0018E+01 mv 1 69 197 -176 0 + 4 e 12 408 etot -8.6355E+01 mv 0 69 83 0 0 c 83 0.0 0.0 + 4 e 268 381 etot -8.8068E+01 mv 1 69 59 -193 0 + 4 e 111 401 etot -8.6352E+01 mv 0 69 29 0 0 + 4 e 10 411 etot -8.9262E+01 mv 0 69 54 0 0 c 54 0.0 0.0 + 4 e 105 402 etot -8.5366E+01 mv 0 69 96 0 0 c 96 1.8 0.0 + 4 e 2 414 etot -8.9188E+01 mv 0 69 197 0 0 + 4 e 37 409 etot -9.0338E+01 mv 0 69 33 0 0 c 33 0.1 0.0 + 4 e 2 415 etot -8.9075E+01 mv 0 69 37 0 0 + 4 e 268 376 etot -8.8871E+01 mv 1 69 13 -162 0 + 4 e 2 417 etot -8.8574E+01 mv 0 69 59 0 0 + 4 e 12 412 etot -8.9261E+01 mv 0 69 66 0 0 c 66 0.0 0.0 +## N0 total= 23 close= 15 far= 0 %acc 65.2 +## N1 total= 97 close= 3 far= 0 %acc 3.1 +## N2 total= 100 close= 1 far= 2 %acc 3.0 +## N3 total= 0 close= 0 far= 0 %acc 0.0 +## N4 total= 0 close= 0 far= 0 %acc 0.0 +## N5 total= 0 close= 0 far= 0 %acc 0.0 +## N6 total= 200 close= 9 far= 1 %acc 5.0 +## N7 total= 0 close= 0 far= 0 %acc 0.0 +## N8 total= 0 close= 0 far= 0 %acc 0.0 +## N9 total= 0 close= 0 far= 0 %acc 0.0 +##N10 total= 0 close= 0 far= 0 %acc 0.0 +##N11 total= 0 close= 0 far= 0 %acc 0.0 +##N12 total= 0 close= 0 far= 0 %acc 0.0 +##N13 total= 0 close= 0 far= 0 %acc 0.0 +##N14 total= 0 close= 0 far= 0 %acc 0.0 +##N15 total= 0 close= 0 far= 0 %acc 0.0 +##N16 total= 0 close= 0 far= 0 %acc 0.0 +##N17 total= 0 close= 0 far= 0 %acc 0.0 +##N18 total= 0 close= 0 far= 0 %acc 0.0 + Time for refresh 70 0.44 + make_var : nseed= 20 ntry= 420 + Time for make trial 71 0.09 +Nonsetup time 149.40 sec, Eval/s = 58109.47 +Time for iter 71 2.01 sec, Eval/s = 59330.24 + UPDATING 420 + 4 e 10 416 etot -8.8871E+01 mv 0 69 13 0 0 c 13 0.0 0.0 + 4 e 260 391 etot -8.8224E+01 mv 1 69 142 160 0 + 4 e 24 413 etot -8.9602E+01 mv 0 69 115 0 0 c 115 0.0 0.0 + 4 e 75 407 etot -8.4821E+01 mv 0 69 189 0 0 + 4 e 2 419 etot -8.8225E+01 mv 0 69 142 0 0 + 4 e 530 397 etot -7.5050E+01 mv 1 69 150 -18 0 + 4 e 126 403 etot -9.0194E+01 mv 0 69 101 0 0 c 101 0.5 0.0 + 4 e 664 357 etot -8.9258E+01 mv 1 69 66 194 0 + 4 e 246 393 etot -8.8224E+01 mv 1 69 142 182 0 + 4 e 333 387 etot -8.4402E+01 mv 1 69 158 19 0 + 4 e 120 405 etot -8.7611E+01 mv 0 69 131 0 0 c 131 1.1 0.0 + 4 e 2 420 etot -8.8216E+01 mv 0 69 150 0 0 + -1 e 1 4 etot 1.3528E+20 mv 6 70 19 115 0 + -1 e 1 5 etot 1.3528E+20 mv 6 70 19 143 0 + 4 e 242 388 etot -8.6612E+01 mv 1 69 158 51 0 + 4 e 812 359 etot -8.3227E+01 mv 1 69 66 -197 0 + -1 e 1 8 etot 1.3528E+20 mv 6 70 19 31 0 + 4 e 481 394 etot -8.6233E+01 mv 1 69 142 199 0 + 4 e 175 398 etot -8.7772E+01 mv 1 69 150 164 0 + 4 e 123 410 etot -9.0145E+01 mv 0 69 106 0 0 + 4 e 153 404 etot -8.7002E+01 mv 0 69 118 0 0 c 118 0.8 0.0 + 4 e 262 390 etot -8.8483E+01 mv 1 69 158 76 0 + 4 e 134 396 etot -8.8215E+01 mv 1 69 150 -48 0 + 4 e 225 384 etot -8.8574E+01 mv 1 69 59 -82 0 + 4 e 285 378 etot -8.7442E+01 mv 1 69 13 -96 0 + -1 e 1 19 etot 1.3528E+20 mv 6 70 29 36 0 + 4 e 273 389 etot -8.8000E+01 mv 1 69 158 -127 0 + -1 e 1 20 etot 1.3528E+20 mv 6 70 29 154 0 + 4 e 115 406 etot -8.7083E+01 mv 0 69 133 0 0 c 133 0.4 0.0 + 4 e 10 418 etot -8.8483E+01 mv 0 69 158 0 0 + -1 e 1 24 etot 1.3528E+20 mv 6 70 58 94 0 + 4 e 404 379 etot -8.8826E+01 mv 1 69 13 -73 0 + 4 e 597 356 etot -8.0522E+01 mv 1 69 66 -93 0 + -1 e 1 27 etot 1.3528E+20 mv 6 70 58 155 0 + 4 e 520 358 etot -7.7693E+01 mv 1 69 66 163 0 + 4 e 155 400 etot -8.8215E+01 mv 1 69 150 44 0 + 4 e 365 395 etot -8.7737E+01 mv 1 69 142 -181 0 + 4 e 510 370 etot -8.6352E+01 mv 1 69 197 8 0 + 4 e 21 33 etot -8.5922E+01 mv 6 70 122 57 0 c 57 0.0 0.0 + 4 e 128 15 etot -7.1915E+01 mv 6 70 29 135 0 + 4 e 183 9 etot -8.7141E+01 mv 6 70 19 26 0 c 114 21.2 0.3 + 4 e 209 6 etot -9.0745E+01 mv 6 70 19 129 0 + 4 e 248 1 etot -8.5110E+01 mv 6 70 19 185 0 c 19 2.0 0.0 + 4 e 218 25 etot -8.7259E+01 mv 6 70 58 15 0 c 58 75.4 0.8 + 4 e 212 16 etot -8.6392E+01 mv 6 70 29 37 0 c 29 1.5 0.0 + 4 e 210 12 etot -8.4146E+01 mv 6 70 29 187 0 + -1 e 1 45 etot 1.3528E+20 mv 6 70 170 196 0 + 4 e 225 31 etot -8.5317E+01 mv 6 70 122 75 0 c 122 156.3 0.7 + 4 e 240 32 etot -7.2515E+01 mv 6 70 122 45 0 + 4 e 269 3 etot -8.7141E+01 mv 6 70 19 159 0 + 4 e 241 28 etot -8.7603E+01 mv 6 70 58 28 0 c 58 30.6 0.3 + 4 e 248 10 etot -8.4831E+01 mv 6 70 19 199 0 + -1 e 1 52 etot 1.3528E+20 mv 6 70 189 69 0 + -1 e 1 53 etot 1.3528E+20 mv 6 70 189 72 0 + 4 e 307 36 etot -8.6515E+01 mv 6 70 122 127 0 + 4 e 312 22 etot -7.1625E+01 mv 6 70 58 5 0 + 4 e 404 2 etot -8.8917E+01 mv 6 70 19 191 0 + 4 e 306 17 etot -8.6391E+01 mv 6 70 29 32 0 + 4 e 326 11 etot -7.8444E+01 mv 6 70 29 150 0 + 4 e 328 39 etot -8.6729E+01 mv 6 70 122 38 0 f 7 320.3 2.2 + 4 e 358 30 etot -8.9563E+01 mv 6 70 58 90 0 + 4 e 329 35 etot -8.4619E+01 mv 6 70 122 195 0 + 4 e 408 21 etot -7.0178E+01 mv 6 70 58 86 0 + 4 e 296 50 etot -8.4897E+01 mv 6 70 170 147 0 c 170 27.5 0.1 + 4 e 435 13 etot -7.8655E+01 mv 6 70 29 150 0 + -1 e 1 65 etot 1.3528E+20 mv 6 70 110 108 0 + 4 e 443 29 etot -8.3301E+01 mv 6 70 58 5 0 + 4 e 218 46 etot -8.4898E+01 mv 6 70 170 82 0 c 170 1.0 0.0 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4 e 249 64 etot -8.6424E+01 mv 6 70 110 89 0 + 4 e 224 44 etot -8.5757E+01 mv 6 70 170 38 0 + 4 e 145 73 etot -8.5805E+01 mv 6 70 191 166 0 + 4 e 419 54 etot -7.7530E+01 mv 6 70 189 164 0 + 4 e 277 61 etot -8.6424E+01 mv 6 70 110 138 0 + 4 e 409 34 etot -7.1624E+01 mv 6 70 122 107 0 + 4 e 347 55 etot -8.5006E+01 mv 6 70 189 46 0 + 4 e 255 78 etot -7.6917E+01 mv 6 70 191 10 0 + 4 e 198 84 etot -7.5943E+01 mv 6 70 33 169 0 + 4 e 347 60 etot -8.4544E+01 mv 6 70 189 123 0 + 4 e 280 77 etot -9.0761E+01 mv 6 70 191 183 0 + -1 e 1 98 etot 1.3528E+20 mv 6 70 101 55 0 + -1 e 1 100 etot 1.3528E+20 mv 6 70 101 109 0 + 4 e 320 74 etot -8.7519E+01 mv 6 70 191 74 0 + 4 e 260 67 etot -8.6457E+01 mv 6 70 110 52 0 c 110 73.3 0.0 + 4 e 134 87 etot -9.0337E+01 mv 6 70 33 70 0 + 4 e 252 83 etot -9.2490E+01 mv 6 70 33 80 0 + 4 e 398 69 etot -9.1813E+01 mv 6 70 110 63 0 + -1 e 1 106 etot 1.3528E+20 mv 6 70 106 78 0 + 4 e 277 70 etot -7.1368E+01 mv 6 70 110 122 0 + 4 e 238 80 etot -7.8382E+01 mv 6 70 191 104 0 + 4 e 368 63 etot -8.6040E+01 mv 6 70 110 1 0 + 4 e 344 82 etot -7.8767E+01 mv 6 70 33 173 0 + 4 e 555 49 etot -7.7848E+01 mv 6 70 170 82 0 + 4 e 368 81 etot -9.1458E+01 mv 6 70 33 36 0 + 4 e 304 48 etot -8.2300E+01 mv 6 70 170 43 0 + 4 e 352 75 etot -8.5372E+01 mv 6 70 191 81 0 + 4 e 282 86 etot -8.5535E+01 mv 6 70 33 155 0 + 4 e 377 85 etot -9.0080E+01 mv 6 70 33 128 0 + 4 e 293 91 etot -9.2490E+01 mv 6 70 101 200 0 + 4 e 251 99 etot -9.0193E+01 mv 6 70 101 153 0 + 4 e 221 107 etot -9.0144E+01 mv 6 70 106 23 0 + 4 e 252 102 etot -8.9817E+01 mv 6 70 106 114 0 + 4 e 402 89 etot -8.5312E+01 mv 6 70 33 155 0 f 107 307.4 0.8 + -1 e 1 122 etot 1.3528E+20 mv 6 70 13 177 0 + 4 e 251 105 etot -9.0144E+01 mv 6 70 106 25 0 + 4 e 241 108 etot -8.9818E+01 mv 6 70 106 129 0 + 4 e 488 62 etot -8.2225E+01 mv 6 70 110 188 0 + 4 e 551 66 etot -8.5661E+01 mv 6 70 110 15 0 + 4 e 358 96 etot -7.8691E+01 mv 6 70 101 95 0 + 4 e 307 93 etot -8.8390E+01 mv 6 70 101 33 0 + -1 e 1 129 etot 1.3528E+20 mv 6 70 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29 -83 0 + 4 e 608 187 etot -7.5877E+01 mv 6 70 61 136 0 + 4 e 487 195 etot -9.0283E+01 mv 6 70 66 27 0 + 4 e 537 192 etot -8.3471E+01 mv 6 70 66 13 0 + 4 e 282 216 etot -8.4620E+01 mv 2 70 122 -133 0 + 4 e 208 214 etot -8.6478E+01 mv 2 70 58 -109 0 + 4 e 336 213 etot -7.6542E+01 mv 2 70 58 -14 0 + 4 e 172 230 etot -8.5200E+01 mv 2 70 189 -138 0 + 4 e 154 225 etot -8.0990E+01 mv 2 70 170 -124 0 + 4 e 394 211 etot -7.6647E+01 mv 2 70 58 -70 0 + 4 e 257 227 etot -7.2602E+01 mv 2 70 189 -3 0 + 4 e 280 224 etot -7.1113E+01 mv 2 70 170 -130 0 + 4 e 217 218 etot -6.1289E+01 mv 2 70 122 -84 0 + 4 e 302 221 etot -7.6311E+01 mv 2 70 170 -31 0 + 4 e 351 209 etot -7.8292E+01 mv 2 70 29 -17 0 + 4 e 590 202 etot -7.3669E+01 mv 2 70 19 -199 0 + 4 e 328 228 etot -7.2643E+01 mv 2 70 189 -46 0 + 4 e 323 229 etot -8.5128E+01 mv 2 70 189 -177 0 + 4 e 358 222 etot -7.3980E+01 mv 2 70 170 -129 0 + -1 e 1 253 etot 1.3528E+20 mv 2 70 106 -20 0 + 4 e 189 235 etot -8.5054E+01 mv 2 70 110 -141 0 + 4 e 429 193 etot -8.0293E+01 mv 6 70 66 41 0 + 4 e 176 237 etot -6.7213E+01 mv 2 70 191 71 0 + 4 e 305 232 etot -8.2931E+01 mv 2 70 110 -169 0 + 4 e 185 239 etot -8.9399E+01 mv 2 70 191 184 0 + 4 e 371 226 etot -7.9566E+01 mv 2 70 189 -167 0 + 4 e 640 174 etot -8.3863E+01 mv 6 70 4 97 0 + 4 e 247 241 etot -9.0337E+01 mv 2 70 33 56 0 + 4 e 457 201 etot -7.7444E+01 mv 2 70 19 -128 0 + 4 e 202 246 etot -7.1113E+01 mv 2 70 101 -65 0 + 4 e 131 255 etot -8.9233E+01 mv 2 70 106 41 0 + 4 e 300 238 etot -9.0761E+01 mv 2 70 191 164 0 + 4 e 392 233 etot -8.5901E+01 mv 2 70 110 -108 0 + 4 e 201 248 etot -8.1795E+01 mv 2 70 101 -89 0 + 4 e 332 236 etot -8.0869E+01 mv 2 70 191 -138 0 + 4 e 700 181 etot -8.9187E+01 mv 6 70 61 175 0 + -1 e 1 269 etot 1.3528E+20 mv 2 70 59 -146 0 + 4 e 330 242 etot -9.1458E+01 mv 2 70 33 -5 0 + 4 e 393 219 etot -7.6605E+01 mv 2 70 122 -107 0 + 4 e 190 258 etot -8.9187E+01 mv 2 70 197 -121 0 + 4 e 527 208 etot -7.8052E+01 mv 2 70 29 -82 0 + 4 e 130 262 etot -6.8650E+01 mv 2 70 13 174 0 + 4 e 305 245 etot -8.1230E+01 mv 2 70 33 -51 0 + 4 e 348 244 etot -7.8643E+01 mv 2 70 33 96 0 + 4 e 483 234 etot -8.5882E+01 mv 2 70 110 -27 0 + 4 e 330 251 etot -9.0144E+01 mv 2 70 106 197 0 + 4 e 262 247 etot -7.3796E+01 mv 2 70 101 18 0 + 4 e 318 254 etot -8.7930E+01 mv 2 70 106 138 0 c 50 176.1 2.0 + 4 e 292 260 etot -8.9187E+01 mv 2 70 197 -64 0 + 4 e 204 268 etot -8.8574E+01 mv 2 70 59 162 0 + 4 e 203 261 etot -8.8871E+01 mv 2 70 13 -84 0 + 4 e 376 240 etot -9.0746E+01 mv 2 70 191 17 0 + 4 e 205 272 etot -7.7894E+01 mv 2 70 117 46 0 + -1 e 1 287 etot 1.3528E+20 mv 2 70 4 -83 0 + 4 e 173 263 etot -8.8871E+01 mv 2 70 13 162 0 + 4 e 268 265 etot -7.3666E+01 mv 2 70 13 -157 0 + 4 e 416 257 etot -8.4726E+01 mv 2 70 197 -73 0 + 4 e 207 278 etot -8.7126E+01 mv 2 70 158 -149 0 + 4 e 442 252 etot -7.2462E+01 mv 2 70 106 47 0 + 4 e 477 250 etot -8.6295E+01 mv 2 70 101 4 0 + 4 e 382 243 etot -8.4775E+01 mv 2 70 33 -184 0 + 4 e 241 277 etot -8.6042E+01 mv 2 70 158 -152 0 + 4 e 331 267 etot -7.5781E+01 mv 2 70 59 19 0 + 4 e 171 275 etot -8.8173E+01 mv 2 70 117 152 0 + 4 e 274 274 etot -7.6001E+01 mv 2 70 117 -176 0 + 4 e 278 276 etot -8.8483E+01 mv 2 70 158 36 0 + 4 e 381 264 etot -7.5327E+01 mv 2 70 13 -141 0 + 4 e 259 279 etot -8.8406E+01 mv 2 70 158 151 0 + -1 e 1 302 etot 1.8463E+20 mv 1 70 19 -193 0 + 4 e 395 266 etot -6.4467E+01 mv 2 70 59 -162 0 + 4 e 537 259 etot -8.2585E+01 mv 2 70 197 -22 0 + 4 e 403 271 etot -8.6518E+01 mv 2 70 117 -86 0 + -1 e 1 306 etot 7.8625E+24 mv 1 70 29 -4 0 + 4 e 677 220 etot -7.1099E+01 mv 2 70 122 -145 0 + 4 e 627 231 etot -7.0856E+01 mv 2 70 110 169 0 + 4 e 248 288 etot -8.8116E+01 mv 2 70 4 -3 0 + 4 e 311 283 etot -8.8224E+01 mv 2 70 142 175 0 + 4 e 336 270 etot -7.6484E+01 mv 2 70 59 174 0 + 8 e 2 310 etot -6.3997E+01 mv 1 70 29 -27 0 + 4 e 313 273 etot -7.5450E+01 mv 2 70 117 -31 0 + 4 e 516 249 etot -7.2116E+01 mv 2 70 101 159 0 + 4 e 244 294 etot -7.2433E+01 mv 2 70 61 -104 0 + 4 e 450 256 etot -8.4728E+01 mv 2 70 197 163 0 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-8.4620E+01 mv 1 70 122 -98 0 + 4 e 679 280 etot -8.8085E+01 mv 2 70 158 -135 0 + 4 e 232 315 etot -8.6478E+01 mv 1 70 58 -93 0 + 4 e 285 321 etot -7.3109E+01 mv 1 70 170 -183 0 + 4 e 709 284 etot -8.3166E+01 mv 2 70 142 152 0 + 4 e 170 330 etot -8.5201E+01 mv 1 70 189 -8 0 c 189 1.3 0.0 + 4 e 505 285 etot -6.7734E+01 mv 2 70 142 -107 0 + 4 e 214 328 etot -7.0990E+01 mv 1 70 189 -70 0 + 4 e 210 331 etot -8.6424E+01 mv 1 70 110 105 0 + 4 e 513 286 etot -7.8257E+01 mv 2 70 4 -144 0 + 4 e 456 318 etot -8.3227E+01 mv 1 70 122 -17 0 + 4 e 168 337 etot -9.0761E+01 mv 1 70 191 50 0 + 4 e 303 326 etot -8.1859E+01 mv 1 70 189 -15 0 + -1 e 1 349 etot 1.3528E+20 mv 1 70 101 -40 0 + -1 e 1 348 etot 1.3528E+20 mv 1 70 101 147 0 + 4 e 329 325 etot -7.4687E+01 mv 1 70 170 -92 0 + 4 e 382 312 etot -6.9969E+01 mv 1 70 58 -66 0 + 4 e 209 339 etot -9.0761E+01 mv 1 70 191 -37 0 + 4 e 565 289 etot -7.3294E+01 mv 2 70 4 152 0 + 4 e 432 322 etot -8.1372E+01 mv 1 70 170 -116 0 + 4 e 529 295 etot -8.3669E+01 mv 2 70 61 -3 0 + 4 e 150 343 etot -9.0337E+01 mv 1 70 33 129 0 + -1 e 1 359 etot 1.3528E+20 mv 1 70 197 102 0 + 4 e 315 323 etot -7.7055E+01 mv 1 70 170 -13 0 + 4 e 403 314 etot -8.2952E+01 mv 1 70 58 -51 0 + 4 e 609 311 etot -8.7588E+01 mv 1 70 58 -195 0 f 195 294.4 3.0 + 4 e 293 335 etot -8.6424E+01 mv 1 70 110 -42 0 + 4 e 374 332 etot -6.9557E+01 mv 1 70 110 164 0 + 4 e 371 329 etot -8.5200E+01 mv 1 70 189 -8 0 + 4 e 307 327 etot -6.9954E+01 mv 1 70 189 -64 0 + 4 e 384 333 etot -8.3438E+01 mv 1 70 110 -178 0 + 4 e 468 324 etot -8.2061E+01 mv 1 70 170 -135 0 + 4 e 162 350 etot -9.0194E+01 mv 1 70 101 102 0 + 4 e 193 346 etot -9.0193E+01 mv 1 70 101 -35 0 + 4 e 365 338 etot -7.5838E+01 mv 1 70 191 32 0 + 4 e 446 334 etot -8.6259E+01 mv 1 70 110 -119 0 + 4 e 301 345 etot -7.6741E+01 mv 1 70 33 -115 0 + 4 e 205 344 etot -9.0337E+01 mv 1 70 33 178 0 + 4 e 509 317 etot -8.4261E+01 mv 1 70 122 -130 0 + 4 e 182 365 etot -8.8871E+01 mv 1 70 13 65 0 + -1 e 1 377 etot 1.3528E+20 mv 1 70 158 -76 0 + 4 e 233 360 etot -8.9187E+01 mv 1 70 197 22 0 + 4 e 393 342 etot -8.9202E+01 mv 1 70 33 46 0 + 4 e 321 340 etot -7.3320E+01 mv 1 70 191 86 0 + 4 e 697 298 etot -8.3553E+01 mv 2 70 66 -4 0 + 4 e 179 358 etot -7.7807E+01 mv 1 70 197 172 0 + -1 e 1 382 etot 1.3528E+20 mv 1 70 142 76 0 + 4 e 411 341 etot -8.4773E+01 mv 1 70 33 -64 0 + 4 e 179 370 etot -8.8574E+01 mv 1 70 59 -182 0 + 4 e 171 371 etot -8.8173E+01 mv 1 70 117 -78 0 + 4 e 351 351 etot -8.4724E+01 mv 1 70 106 -40 0 f 69 283.7 0.1 + 4 e 218 368 etot -8.8574E+01 mv 1 70 59 90 0 + 4 e 200 369 etot -8.7263E+01 mv 1 70 59 -73 0 + 4 e 403 352 etot -8.4595E+01 mv 1 70 106 101 0 + -1 e 1 391 etot 1.3528E+20 mv 1 70 61 67 0 + 4 e 250 354 etot -8.9590E+01 mv 1 70 106 -96 0 + 4 e 318 363 etot -7.7394E+01 mv 1 70 13 -110 0 + -1 e 1 394 etot 1.3528E+20 mv 1 70 61 -108 0 + 4 e 656 309 etot -8.5201E+01 mv 1 70 29 -193 0 + 4 e 373 355 etot -8.9151E+01 mv 1 70 106 -28 0 + 4 e 247 373 etot -8.8172E+01 mv 1 70 117 113 0 + 4 e 258 361 etot -8.8871E+01 mv 1 70 13 65 0 + 4 e 301 356 etot -8.4310E+01 mv 1 70 197 -19 0 + 4 e 402 366 etot -8.8572E+01 mv 1 70 59 -85 0 + 4 e 285 374 etot -8.1338E+01 mv 1 70 117 -164 0 + 4 e 239 378 etot -8.7067E+01 mv 1 70 158 189 0 + 4 e 200 386 etot -8.8115E+01 mv 1 70 4 -44 0 + 4 e 246 385 etot -8.8224E+01 mv 1 70 142 -143 0 + 4 e 470 364 etot -8.1896E+01 mv 1 70 13 -163 0 + 4 e 410 347 etot -8.6975E+01 mv 1 70 101 31 0 + 4 e 19 407 etot -8.6424E+01 mv 0 70 110 0 0 + 4 e 2 408 etot -9.0761E+01 mv 0 70 191 0 0 + 4 e 242 375 etot -8.7190E+01 mv 1 70 117 33 0 + 4 e 141 398 etot -8.9261E+01 mv 1 70 66 -106 0 + 4 e 550 357 etot -7.6116E+01 mv 1 70 197 -17 0 + 4 e 2 412 etot -8.9188E+01 mv 0 70 197 0 0 + 4 e 11 409 etot -9.0338E+01 mv 0 70 33 0 0 c 33 0.0 0.0 + 4 e 328 367 etot -8.8573E+01 mv 1 70 59 -138 0 + 4 e 10 413 etot -8.8871E+01 mv 0 70 13 0 0 + 4 e 2 414 etot -8.8574E+01 mv 0 70 59 0 0 + 4 e 269 388 etot -8.8115E+01 mv 1 70 4 -134 0 + 4 e 2 417 etot -8.8225E+01 mv 0 70 142 0 0 + 4 e 242 376 etot -8.8483E+01 mv 1 70 158 -45 0 +## N0 total= 18 close= 7 far= 0 %acc 38.9 +## N1 total= 102 close= 2 far= 2 %acc 3.9 +## N2 total= 100 close= 1 far= 0 %acc 1.0 +## N3 total= 0 close= 0 far= 0 %acc 0.0 +## N4 total= 0 close= 0 far= 0 %acc 0.0 +## N5 total= 0 close= 0 far= 0 %acc 0.0 +## N6 total= 200 close= 14 far= 3 %acc 8.5 +## N7 total= 0 close= 0 far= 0 %acc 0.0 +## N8 total= 0 close= 0 far= 0 %acc 0.0 +## N9 total= 0 close= 0 far= 0 %acc 0.0 +##N10 total= 0 close= 0 far= 0 %acc 0.0 +##N11 total= 0 close= 0 far= 0 %acc 0.0 +##N12 total= 0 close= 0 far= 0 %acc 0.0 +##N13 total= 0 close= 0 far= 0 %acc 0.0 +##N14 total= 0 close= 0 far= 0 %acc 0.0 +##N15 total= 0 close= 0 far= 0 %acc 0.0 +##N16 total= 0 close= 0 far= 0 %acc 0.0 +##N17 total= 0 close= 0 far= 0 %acc 0.0 +##N18 total= 0 close= 0 far= 0 %acc 0.0 + Time for refresh 71 0.28 + make_var : nseed= 20 ntry= 420 + Time for make trial 72 0.07 +Nonsetup time 151.29 sec, Eval/s = 58231.67 +Time for iter 72 1.89 sec, Eval/s = 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-8.6729E+01 mv 1 71 58 -9 0 + 4 e 176 325 etot -8.5297E+01 mv 1 71 103 -180 0 + 4 e 279 324 etot -7.6613E+01 mv 1 71 103 -168 0 + 4 e 494 312 etot -7.4718E+01 mv 1 71 58 -108 0 + -1 e 1 350 etot 1.3528E+20 mv 1 71 170 -193 0 + 4 e 280 320 etot -8.4119E+01 mv 1 71 69 -1 0 + 4 e 459 317 etot -7.4737E+01 mv 1 71 69 -110 0 + 4 e 209 328 etot -6.7313E+01 mv 1 71 107 -106 0 + 4 e 502 292 etot -6.3125E+01 mv 2 71 135 -178 0 + 4 e 514 313 etot -8.7601E+01 mv 1 71 58 -153 0 + 4 e 434 306 etot -8.2103E+01 mv 1 71 50 -49 0 + 4 e 410 322 etot -8.0060E+01 mv 1 71 103 -14 0 + -1 e 1 358 etot 1.3528E+20 mv 1 71 195 -45 0 + 4 e 626 307 etot -8.0070E+01 mv 1 71 50 -137 0 + -1 e 1 360 etot 1.3528E+20 mv 1 71 195 -46 0 + 4 e 254 336 etot -8.4855E+01 mv 1 71 114 -29 0 + 4 e 212 330 etot -8.5313E+01 mv 1 71 107 -136 0 + 4 e 224 343 etot -8.8183E+01 mv 1 71 122 -59 0 + 4 e 281 329 etot -8.6117E+01 mv 1 71 107 -140 0 c 107 168.7 0.8 + 4 e 300 338 etot -7.5647E+01 mv 1 71 114 -171 0 + 4 e 247 335 etot -8.6457E+01 mv 1 71 110 -17 0 + 4 e 229 347 etot -7.6022E+01 mv 1 71 170 -86 0 + 4 e 547 321 etot -8.0928E+01 mv 1 71 103 -121 0 + 4 e 389 334 etot -8.5090E+01 mv 1 71 110 -62 0 + 4 e 221 351 etot -8.4733E+01 mv 1 71 187 -16 0 + 4 e 287 344 etot -7.2616E+01 mv 1 71 122 -102 0 + 4 e 378 337 etot -8.3616E+01 mv 1 71 114 -183 0 + -1 e 1 373 etot 1.3528E+20 mv 1 71 145 186 0 + 4 e 209 345 etot -8.8052E+01 mv 1 71 122 -91 0 + 4 e 338 340 etot -8.7140E+01 mv 1 71 114 -61 0 + 4 e 182 361 etot -8.4333E+01 mv 1 71 8 -68 0 + 4 e 206 346 etot -8.4898E+01 mv 1 71 170 -80 0 + 4 e 506 331 etot -8.0919E+01 mv 1 71 110 -157 0 + 4 e 223 362 etot -7.2334E+01 mv 1 71 8 -54 0 + 4 e 282 341 etot -8.6968E+01 mv 1 71 122 -53 0 + 4 e 597 323 etot -8.6469E+01 mv 1 71 103 -97 0 + 4 e 344 349 etot -8.2953E+01 mv 1 71 170 -93 0 + 4 e 635 327 etot -7.7991E+01 mv 1 71 107 -122 0 + 4 e 173 366 etot -9.0761E+01 mv 1 71 191 144 0 + 4 e 391 353 etot -7.4656E+01 mv 1 71 187 -107 0 + 4 e 163 377 etot -6.9969E+01 mv 1 71 197 -9 0 + 4 e 205 371 etot -8.9595E+01 mv 1 71 145 84 0 + 4 e 170 367 etot -9.0761E+01 mv 1 71 191 174 0 + 4 e 286 364 etot -8.6464E+01 mv 1 71 8 -118 0 + 4 e 572 339 etot -9.0013E+01 mv 1 71 114 -176 0 + 4 e 269 369 etot -8.3400E+01 mv 1 71 191 141 0 + 4 e 210 365 etot -8.6695E+01 mv 1 71 8 157 0 + 4 e 430 359 etot -8.1480E+01 mv 1 71 195 -167 0 + 4 e 196 379 etot -7.2022E+01 mv 1 71 197 -107 0 + 4 e 257 363 etot -7.8585E+01 mv 1 71 8 146 0 + 4 e 295 370 etot -8.9024E+01 mv 1 71 191 -115 0 + 4 e 312 368 etot -9.0001E+01 mv 1 71 191 31 0 + 4 e 207 375 etot -8.4650E+01 mv 1 71 145 -168 0 + 4 e 98 391 etot -8.8343E+01 mv 1 71 135 -38 0 + 4 e 368 354 etot -8.5741E+01 mv 1 71 187 -40 0 c 187 4.6 0.0 + 4 e 240 383 etot -8.8989E+01 mv 1 71 46 116 0 + 4 e 376 355 etot -8.3435E+01 mv 1 71 187 -1 0 + 4 e 360 372 etot -8.9670E+01 mv 1 71 145 170 0 + 4 e 290 382 etot -8.8988E+01 mv 1 71 46 14 0 + 4 e 433 348 etot -8.3717E+01 mv 1 71 170 -69 0 + 4 e 322 380 etot -8.9186E+01 mv 1 71 197 148 0 + 4 e 229 386 etot -8.8574E+01 mv 1 71 59 -23 0 + 4 e 203 390 etot -8.8574E+01 mv 1 71 59 119 0 + 4 e 419 374 etot -8.9669E+01 mv 1 71 145 144 0 + 4 e 441 352 etot -8.6032E+01 mv 1 71 187 -144 0 c 187 164.5 0.3 + 4 e 648 356 etot -8.7765E+01 mv 1 71 195 -199 0 + 4 e 273 388 etot -8.8573E+01 mv 1 71 59 -164 0 + 4 e 459 376 etot -8.4917E+01 mv 1 71 197 -50 0 + 4 e 63 408 etot -8.7141E+01 mv 0 71 114 0 0 + 4 e 107 405 etot -8.6774E+01 mv 0 71 103 0 0 + 4 e 2 414 etot -9.0761E+01 mv 0 71 191 0 0 + 4 e 2 416 etot -8.9188E+01 mv 0 71 197 0 0 + 4 e 100 401 etot -8.6730E+01 mv 0 71 7 0 0 c 7 1.1 0.0 + 4 e 18 413 etot -8.6696E+01 mv 0 71 8 0 0 c 8 0.0 0.0 +## N0 total= 19 close= 13 far= 0 %acc 68.4 +## N1 total= 101 close= 6 far= 0 %acc 5.9 +## N2 total= 100 close= 6 far= 0 %acc 6.0 +## N3 total= 0 close= 0 far= 0 %acc 0.0 +## N4 total= 0 close= 0 far= 0 %acc 0.0 +## N5 total= 0 close= 0 far= 0 %acc 0.0 +## N6 total= 200 close= 13 far= 0 %acc 6.5 +## N7 total= 0 close= 0 far= 0 %acc 0.0 +## N8 total= 0 close= 0 far= 0 %acc 0.0 +## N9 total= 0 close= 0 far= 0 %acc 0.0 +##N10 total= 0 close= 0 far= 0 %acc 0.0 +##N11 total= 0 close= 0 far= 0 %acc 0.0 +##N12 total= 0 close= 0 far= 0 %acc 0.0 +##N13 total= 0 close= 0 far= 0 %acc 0.0 +##N14 total= 0 close= 0 far= 0 %acc 0.0 +##N15 total= 0 close= 0 far= 0 %acc 0.0 +##N16 total= 0 close= 0 far= 0 %acc 0.0 +##N17 total= 0 close= 0 far= 0 %acc 0.0 +##N18 total= 0 close= 0 far= 0 %acc 0.0 + Time for refresh 72 0.29 + make_var : nseed= 20 ntry= 420 + Time for make trial 73 0.07 +Nonsetup time 153.16 sec, Eval/s = 58324.05 +Time for iter 73 1.87 sec, Eval/s = 65809.14 + UPDATING 420 + 4 e 426 394 etot -7.1668E+01 mv 1 71 135 -156 0 + 4 e 295 387 etot -7.3161E+01 mv 1 71 59 -48 0 + 4 e 479 385 etot -8.4594E+01 mv 1 71 46 66 0 + 4 e 159 404 etot -8.4726E+01 mv 0 71 69 0 0 c 69 0.7 0.0 + 4 e 93 409 etot -8.8240E+01 mv 0 71 122 0 0 c 122 1.1 0.0 + 4 e 216 398 etot -8.3657E+01 mv 1 71 23 48 0 + 4 e 291 402 etot -8.8116E+01 mv 0 71 50 0 0 + 4 e 91 420 etot -8.8538E+01 mv 0 71 23 0 0 c 23 0.3 0.0 + 4 e 416 384 etot -8.4595E+01 mv 1 71 46 -152 0 + 4 e 300 392 etot -8.7411E+01 mv 1 71 135 -171 0 + 4 e 73 415 etot -8.9671E+01 mv 0 71 145 0 0 c 145 0.5 0.0 + 4 e 2 418 etot -8.8574E+01 mv 0 71 59 0 0 + 4 e 18 417 etot -8.8989E+01 mv 0 71 46 0 0 c 46 0.0 0.0 + 4 e 467 395 etot -7.8449E+01 mv 1 71 135 -7 0 + 4 e 362 397 etot -8.6344E+01 mv 1 71 23 90 0 + 4 e 330 400 etot -8.7387E+01 mv 1 71 23 -130 0 + 4 e 98 407 etot -8.6458E+01 mv 0 71 110 0 0 c 110 1.7 0.0 + 4 e 85 410 etot -8.4898E+01 mv 0 71 170 0 0 c 170 0.3 0.0 + 4 e 554 412 etot -8.7765E+01 mv 0 71 195 0 0 + 4 e 405 381 etot -8.8173E+01 mv 1 71 46 -154 0 + 4 e 295 389 etot -7.9700E+01 mv 1 71 59 27 0 + 4 e 2 419 etot -8.8558E+01 mv 0 71 135 0 0 + 4 e 123 403 etot -8.7603E+01 mv 0 71 58 0 0 c 58 0.8 0.0 + 4 e 646 357 etot -8.4048E+01 mv 1 71 195 -114 0 + 4 e 94 411 etot -8.4925E+01 mv 0 71 187 0 0 + 4 e 349 399 etot -8.2858E+01 mv 1 71 23 65 0 + 4 e 415 378 etot -8.9186E+01 mv 1 71 197 -101 0 + 4 e 208 393 etot -8.6047E+01 mv 1 71 135 -59 0 + -1 e 1 21 etot 1.3528E+20 mv 6 72 107 21 0 + 4 e 2 11 etot -8.8225E+01 mv 6 72 79 142 0 + -1 e 1 22 etot 3.0294E+21 mv 6 72 107 62 0 + 4 e 2 19 etot -9.0761E+01 mv 6 72 79 191 0 + 4 e 270 396 etot -8.7387E+01 mv 1 71 23 54 0 + -1 e 1 27 etot 1.3528E+20 mv 6 72 107 30 0 + 4 e 655 342 etot -6.0915E+01 mv 1 71 122 -5 0 + 4 e 106 406 etot -8.5313E+01 mv 0 71 107 0 0 + 4 e 135 13 etot -6.8628E+01 mv 6 72 79 180 0 + -1 e 1 37 etot 1.3528E+20 mv 6 72 114 74 0 + 4 e 163 28 etot -8.7561E+01 mv 6 72 107 103 0 + -1 e 1 39 etot 1.3528E+20 mv 6 72 114 109 0 + 4 e 192 24 etot -8.1430E+01 mv 6 72 107 22 0 + 4 e 177 10 etot -8.8221E+01 mv 6 72 50 31 0 c 50 4.0 0.0 + 4 e 203 1 etot -7.4656E+01 mv 6 72 50 157 0 + 4 e 192 8 etot -7.4808E+01 mv 6 72 50 131 0 + 4 e 209 23 etot -7.7844E+01 mv 6 72 107 87 0 + 4 e 218 2 etot -7.5433E+01 mv 6 72 50 107 0 + 4 e 211 34 etot -8.4377E+01 mv 6 72 114 121 0 + 4 e 204 30 etot -8.5876E+01 mv 6 72 107 172 0 + 4 e 213 35 etot -8.7141E+01 mv 6 72 114 131 0 + -1 e 1 49 etot 1.3528E+20 mv 6 72 115 38 0 + 4 e 251 3 etot -8.4721E+01 mv 6 72 50 192 0 + 4 e 224 33 etot -8.7141E+01 mv 6 72 114 86 0 + 4 e 244 25 etot -7.2879E+01 mv 6 72 107 26 0 + 4 e 242 4 etot -7.2168E+01 mv 6 72 50 77 0 + -1 e 1 54 etot 1.3528E+20 mv 6 72 187 32 0 + 4 e 258 9 etot -8.4744E+01 mv 6 72 50 3 0 + 4 e 253 29 etot -8.4812E+01 mv 6 72 107 62 0 + 4 e 274 31 etot -7.8607E+01 mv 6 72 114 153 0 + 4 e 274 32 etot -8.6055E+01 mv 6 72 114 72 0 + 4 e 266 15 etot -8.4555E+01 mv 6 72 79 144 0 + 4 e 314 18 etot -8.0098E+01 mv 6 72 79 50 0 + 4 e 312 6 etot -8.3924E+01 mv 6 72 50 41 0 + -1 e 1 62 etot 1.3528E+20 mv 6 72 195 52 0 + -1 e 1 63 etot 1.3528E+20 mv 6 72 195 86 0 + 4 e 337 12 etot -8.4937E+01 mv 6 72 79 116 0 + 4 e 349 7 etot -8.8220E+01 mv 6 72 50 74 0 + 4 e 233 38 etot -7.6352E+01 mv 6 72 114 51 0 + 4 e 335 43 etot -8.1290E+01 mv 6 72 115 193 0 + 4 e 438 5 etot -7.9295E+01 mv 6 72 50 154 0 + 4 e 206 59 etot -8.7476E+01 mv 6 72 187 66 0 c 187 91.3 1.4 + 4 e 267 50 etot -8.8917E+01 mv 6 72 115 8 0 + 4 e 449 36 etot -8.8005E+01 mv 6 72 114 141 0 + 4 e 391 51 etot -8.1471E+01 mv 6 72 187 177 0 + 4 e 519 16 etot -8.6463E+01 mv 6 72 79 133 0 c 29 35.0 0.1 + 4 e 234 61 etot -6.8657E+01 mv 6 72 195 91 0 + 4 e 505 14 etot -8.4606E+01 mv 6 72 79 36 0 + 4 e 526 20 etot -8.8875E+01 mv 6 72 79 142 0 + 4 e 340 41 etot -8.0577E+01 mv 6 72 115 24 0 + 4 e 482 46 etot -7.9254E+01 mv 6 72 115 31 0 + 4 e 288 56 etot -7.5771E+01 mv 6 72 187 144 0 + 4 e 323 53 etot -7.4133E+01 mv 6 72 187 197 0 + 4 e 351 40 etot -8.6081E+01 mv 6 72 114 1 0 + 4 e 299 60 etot -7.8097E+01 mv 6 72 187 77 0 + 4 e 48 78 etot -8.8554E+01 mv 6 72 199 163 0 c 163 0.1 0.0 + 4 e 313 66 etot -8.8583E+01 mv 6 72 195 15 0 c 195 6.3 0.0 + 4 e 677 17 etot -7.9409E+01 mv 6 72 79 86 0 + 4 e 370 48 etot -8.2297E+01 mv 6 72 115 177 0 + 4 e 473 55 etot -8.4949E+01 mv 6 72 187 104 0 + 4 e 367 57 etot -8.5132E+01 mv 6 72 187 147 0 f 109 346.1 0.5 + 4 e 370 58 etot -8.4869E+01 mv 6 72 187 114 0 + 4 e 412 52 etot -7.7308E+01 mv 6 72 187 58 0 + 4 e 64 84 etot -8.5600E+01 mv 6 72 106 2 0 c 2 0.3 0.0 + 4 e 457 44 etot -8.1257E+01 mv 6 72 115 91 0 + 4 e 468 64 etot -8.7266E+01 mv 6 72 195 95 0 + -1 e 1 94 etot 1.3528E+20 mv 6 72 101 62 0 + 4 e 672 26 etot -8.4719E+01 mv 6 72 107 104 0 + 4 e 54 89 etot -8.6730E+01 mv 6 72 106 7 0 c 7 0.1 0.0 + 4 e 131 82 etot -8.5562E+01 mv 6 72 106 93 0 + 4 e 415 65 etot -8.7722E+01 mv 6 72 195 129 0 + 4 e 278 79 etot -8.6097E+01 mv 6 72 199 129 0 + 4 e 341 73 etot -7.8953E+01 mv 6 72 199 80 0 + 4 e 338 74 etot -8.7569E+01 mv 6 72 199 163 0 + 4 e 228 83 etot -9.0144E+01 mv 6 72 106 39 0 + 4 e 211 77 etot -8.7303E+01 mv 6 72 199 64 0 + 4 e 273 71 etot -8.9247E+01 mv 6 72 199 184 0 + 4 e 252 72 etot -8.7569E+01 mv 6 72 199 85 0 + 4 e 501 69 etot -9.2489E+01 mv 6 72 195 155 0 + 4 e 577 47 etot -7.8669E+01 mv 6 72 115 160 0 + 4 e 639 42 etot -8.9318E+01 mv 6 72 115 162 0 + 4 e 314 80 etot -8.0583E+01 mv 6 72 199 176 0 + 4 e 121 100 etot -8.6034E+01 mv 6 72 101 187 0 + 4 e 292 87 etot -8.9817E+01 mv 6 72 106 122 0 + 4 e 600 45 etot -8.3288E+01 mv 6 72 115 180 0 + 4 e 584 67 etot -9.1403E+01 mv 6 72 195 35 0 + 4 e 615 68 etot -8.3820E+01 mv 6 72 195 177 0 + 4 e 22 115 etot -8.8438E+01 mv 6 72 54 193 0 c 193 0.0 0.0 + 4 e 504 75 etot -8.8825E+01 mv 6 72 199 98 0 + 4 e 569 70 etot -9.1336E+01 mv 6 72 195 47 0 + 4 e 405 86 etot -8.5791E+01 mv 6 72 106 197 0 + 4 e 366 88 etot -8.7836E+01 mv 6 72 106 125 0 + 4 e 355 81 etot -8.6896E+01 mv 6 72 106 172 0 + 4 e 287 91 etot -8.8052E+01 mv 6 72 101 10 0 + 4 e 562 76 etot -8.6811E+01 mv 6 72 199 75 0 + 4 e 420 93 etot -8.7380E+01 mv 6 72 101 121 0 + -1 e 1 124 etot 1.3528E+20 mv 6 72 59 61 0 + 4 e 426 95 etot -8.9330E+01 mv 6 72 101 189 0 + 4 e 344 102 etot -8.7306E+01 mv 6 72 197 153 0 + 4 e 337 101 etot -9.0785E+01 mv 6 72 197 124 0 + -1 e 1 128 etot 1.3528E+20 mv 6 72 59 159 0 + 4 e 43 122 etot -8.7381E+01 mv 6 72 59 20 0 c 20 0.1 0.0 + 4 e 577 85 etot -8.1970E+01 mv 6 72 106 59 0 + 4 e 63 121 etot -8.8888E+01 mv 6 72 59 148 0 c 148 0.3 0.0 + 4 e 161 120 etot -8.5409E+01 mv 6 72 54 88 0 + 4 e 269 97 etot -8.8553E+01 mv 6 72 101 185 0 + 4 e 447 99 etot -8.2005E+01 mv 6 72 101 38 0 + 4 e 335 109 etot -8.1166E+01 mv 6 72 197 34 0 + 4 e 392 92 etot -7.9398E+01 mv 6 72 101 175 0 + 4 e 368 110 etot -7.1277E+01 mv 6 72 197 21 0 + 4 e 296 98 etot -9.0193E+01 mv 6 72 101 117 0 + 4 e 263 104 etot -7.2871E+01 mv 6 72 197 104 0 + 4 e 365 96 etot -9.0192E+01 mv 6 72 101 152 0 + 4 e 336 112 etot -8.2211E+01 mv 6 72 54 152 0 + 4 e 372 111 etot -8.6986E+01 mv 6 72 54 39 0 + 4 e 331 116 etot -7.9822E+01 mv 6 72 54 79 0 + 4 e 502 103 etot -8.2231E+01 mv 6 72 197 67 0 + 4 e 291 106 etot -8.9186E+01 mv 6 72 197 99 0 + 4 e 246 123 etot -8.5860E+01 mv 6 72 59 39 0 + 4 e 233 113 etot -8.9262E+01 mv 6 72 54 125 0 + 4 e 337 105 etot -7.1564E+01 mv 6 72 197 67 0 + 4 e 354 117 etot -8.9150E+01 mv 6 72 54 142 0 + 4 e 336 118 etot -7.6935E+01 mv 6 72 54 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mv 6 72 37 22 0 + 4 e 602 90 etot -8.1764E+01 mv 6 72 106 83 0 + 4 e 346 130 etot -8.8573E+01 mv 6 72 59 66 0 + 4 e 508 129 etot -7.9448E+01 mv 6 72 59 42 0 + 4 e 209 154 etot -8.6392E+01 mv 6 72 142 29 0 + 4 e 331 151 etot -7.6308E+01 mv 6 72 142 152 0 + 4 e 575 108 etot -9.0634E+01 mv 6 72 197 171 0 + 4 e 192 162 etot -8.8630E+01 mv 6 72 37 63 0 + 4 e 271 153 etot -8.5985E+01 mv 6 72 142 194 0 + 4 e 454 142 etot -8.2100E+01 mv 6 72 98 140 0 + 4 e 283 149 etot -8.5969E+01 mv 6 72 98 163 0 + 4 e 441 144 etot -7.6204E+01 mv 6 72 98 114 0 + 4 e 265 146 etot -8.8277E+01 mv 6 72 98 1 0 + 4 e 267 158 etot -8.7569E+01 mv 6 72 142 94 0 + -1 e 1 185 etot 1.3528E+20 mv 6 72 158 171 0 + 4 e 548 135 etot -7.7593E+01 mv 6 72 135 28 0 + 4 e 191 164 etot -8.9075E+01 mv 6 72 37 146 0 + -1 e 1 188 etot 1.3528E+20 mv 6 72 158 193 0 + 4 e 375 156 etot -7.6297E+01 mv 6 72 142 186 0 + 4 e 372 155 etot -8.8222E+01 mv 6 72 142 53 0 + 4 e 338 163 etot -8.9072E+01 mv 6 72 37 42 0 + 4 e 530 152 etot 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etot -7.8334E+01 mv 6 72 158 101 0 + 4 e 608 137 etot -8.4045E+01 mv 6 72 135 87 0 + 4 e 208 205 etot -7.6021E+01 mv 2 72 50 -87 0 + 4 e 390 186 etot -9.2232E+01 mv 6 72 158 33 0 + -1 e 1 217 etot 1.3528E+20 mv 2 72 114 -75 0 + 4 e 596 169 etot -6.5668E+01 mv 6 72 37 25 0 + 4 e 150 210 etot -8.8814E+01 mv 2 72 79 -179 0 c 79 1.3 0.0 + 4 e 297 194 etot -8.3434E+01 mv 6 72 176 52 0 + 4 e 273 201 etot -8.3739E+01 mv 2 72 50 -135 0 + 4 e 559 171 etot -7.8475E+01 mv 6 72 74 157 0 + 4 e 341 192 etot -8.7890E+01 mv 6 72 176 118 0 + 4 e 327 193 etot -9.1400E+01 mv 6 72 176 121 0 + 4 e 135 212 etot -6.3931E+01 mv 2 72 107 -74 0 + 4 e 399 174 etot -8.8049E+01 mv 6 72 74 119 0 + 4 e 490 183 etot -8.0027E+01 mv 6 72 158 140 0 + 4 e 455 167 etot -8.2200E+01 mv 6 72 37 63 0 + 4 e 393 196 etot -8.4554E+01 mv 6 72 176 17 0 + -1 e 1 230 etot 1.3528E+20 mv 2 72 187 -194 0 + 4 e 417 173 etot -8.4043E+01 mv 6 72 74 189 0 + 4 e 471 191 etot -7.6404E+01 mv 6 72 176 131 0 + -1 e 1 233 etot 1.3528E+20 mv 2 72 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195 -45 0 + 4 e 229 255 etot -7.8417E+01 mv 2 72 197 19 0 + 4 e 529 234 etot -7.7058E+01 mv 2 72 195 -45 0 + 4 e 154 258 etot -8.9262E+01 mv 2 72 54 29 0 + -1 e 1 277 etot 1.3528E+20 mv 2 72 142 87 0 + 4 e 483 242 etot -7.6490E+01 mv 2 72 106 36 0 + 4 e 494 243 etot -8.5173E+01 mv 2 72 106 34 0 + 4 e 202 268 etot -6.8430E+01 mv 2 72 135 -27 0 + 4 e 248 260 etot -8.9262E+01 mv 2 72 54 -152 0 + 4 e 304 253 etot -7.8508E+01 mv 2 72 197 -157 0 + 4 e 172 265 etot -8.8574E+01 mv 2 72 59 -163 0 + 4 e 125 270 etot -8.8558E+01 mv 2 72 135 136 0 + 4 e 468 248 etot -9.0120E+01 mv 2 72 101 -28 0 + 4 e 376 251 etot -7.4590E+01 mv 2 72 197 -91 0 + 4 e 578 241 etot -9.0142E+01 mv 2 72 106 -1 0 + 4 e 452 249 etot -7.7909E+01 mv 2 72 101 -30 0 + 4 e 202 263 etot -8.8574E+01 mv 2 72 59 61 0 + 4 e 356 261 etot -7.8273E+01 mv 2 72 59 -115 0 + 4 e 193 274 etot -8.8278E+01 mv 2 72 98 46 0 + 4 e 232 267 etot -6.5312E+01 mv 2 72 135 44 0 + 4 e 291 269 etot -7.1996E+01 mv 2 72 135 -180 0 + 4 e 423 244 etot -7.9071E+01 mv 2 72 106 -184 0 + 4 e 139 280 etot -8.8225E+01 mv 2 72 142 29 0 + 4 e 404 256 etot -8.2202E+01 mv 2 72 54 -33 0 + 4 e 177 273 etot -8.5165E+01 mv 2 72 98 -69 0 + 4 e 273 272 etot -7.1783E+01 mv 2 72 98 -169 0 + 4 e 397 250 etot -7.7524E+01 mv 2 72 101 -68 0 + 4 e 199 279 etot -8.8225E+01 mv 2 72 142 32 0 + 4 e 530 232 etot -8.8857E+01 mv 2 72 195 -180 0 + -1 e 1 302 etot 1.3528E+20 mv 1 72 50 -36 0 + 4 e 167 288 etot -8.8147E+01 mv 2 72 74 112 0 + 4 e 270 276 etot -8.8225E+01 mv 2 72 142 93 0 + 4 e 151 292 etot -6.6018E+01 mv 2 72 158 31 0 + 4 e 498 259 etot -8.4452E+01 mv 2 72 54 -170 0 + 4 e 255 281 etot -8.9074E+01 mv 2 72 37 39 0 + -1 e 1 308 etot 1.3528E+20 mv 1 72 79 -84 0 + 4 e 337 266 etot -8.9697E+01 mv 2 72 135 174 0 + 4 e 320 275 etot -8.8827E+01 mv 2 72 98 92 0 + 4 e 170 285 etot -8.9075E+01 mv 2 72 37 188 0 + 4 e 530 262 etot -8.1266E+01 mv 2 72 59 -100 0 + 4 e 162 290 etot -8.8147E+01 mv 2 72 74 -187 0 + 4 e 172 296 etot -8.7891E+01 mv 2 72 176 -5 0 + 4 e 198 284 etot -8.6566E+01 mv 2 72 37 99 0 + 4 e 477 271 etot -7.7297E+01 mv 2 72 98 -199 0 + 4 e 233 297 etot -8.7890E+01 mv 2 72 176 25 0 + 4 e 351 286 etot -8.8146E+01 mv 2 72 74 24 0 + 4 e 169 305 etot -8.8221E+01 mv 1 72 50 -138 0 c 50 0.9 0.0 + 4 e 196 293 etot -8.8408E+01 mv 2 72 158 190 0 + 4 e 411 282 etot -8.1024E+01 mv 2 72 37 108 0 + 4 e 175 298 etot -8.7891E+01 mv 2 72 176 177 0 + 4 e 422 283 etot -7.9147E+01 mv 2 72 37 85 0 + 4 e 264 301 etot -7.6904E+01 mv 1 72 50 -133 0 + 4 e 497 257 etot -7.1810E+01 mv 2 72 54 20 0 + 4 e 325 294 etot -8.8483E+01 mv 2 72 158 44 0 + 4 e 404 291 etot -8.3937E+01 mv 2 72 158 -87 0 + 4 e 473 287 etot -8.8145E+01 mv 2 72 74 193 0 + 4 e 223 303 etot -8.8221E+01 mv 1 72 50 -43 0 + 4 e 285 311 etot -7.2897E+01 mv 1 72 107 -161 0 + 4 e 538 264 etot -8.3832E+01 mv 2 72 59 -99 0 + 4 e 153 320 etot -8.7195E+01 mv 1 72 114 -8 0 + 4 e 269 315 etot -8.6118E+01 mv 1 72 107 -119 0 c 107 2.5 0.0 + -1 e 1 334 etot 1.3528E+20 mv 1 72 195 -160 0 + 4 e 369 304 etot -8.6559E+01 mv 1 72 50 -145 0 + 4 e 528 289 etot -8.3058E+01 mv 2 72 74 125 0 + 4 e 362 307 etot -8.8812E+01 mv 1 72 79 -9 0 + 4 e 252 322 etot -7.0467E+01 mv 1 72 115 -70 0 + 4 e 333 317 etot -5.8374E+01 mv 1 72 114 -193 0 + -1 e 1 339 etot 1.3528E+20 mv 1 72 199 -143 0 + 4 e 266 319 etot -8.6486E+01 mv 1 72 114 -82 0 + 4 e 291 318 etot -8.7195E+01 mv 1 72 114 -42 0 + 4 e 278 310 etot -8.7960E+01 mv 1 72 79 -183 0 + 4 e 449 306 etot -9.1040E+01 mv 1 72 79 -70 0 + 4 e 419 313 etot -7.9290E+01 mv 1 72 107 -186 0 + 4 e 234 329 etot -8.6034E+01 mv 1 72 187 -106 0 + 4 e 539 278 etot -8.8222E+01 mv 2 72 142 -73 0 + 4 e 131 343 etot -8.9268E+01 mv 1 72 106 -10 0 + 4 e 401 324 etot -8.5220E+01 mv 1 72 115 -113 0 f 5 299.8 0.6 + 4 e 258 335 etot -8.8583E+01 mv 1 72 195 -135 0 + 4 e 601 309 etot -7.9227E+01 mv 1 72 79 -59 0 + 4 e 302 323 etot -7.4816E+01 mv 1 72 115 -55 0 + 4 e 468 300 etot -7.9636E+01 mv 2 72 176 -28 0 + 4 e 292 337 etot -8.4356E+01 mv 1 72 199 -195 0 + 4 e 446 325 etot -8.9616E+01 mv 1 72 115 -38 0 + 4 e 527 295 etot -8.1087E+01 mv 2 72 158 -189 0 + 4 e 306 336 etot -8.6884E+01 mv 1 72 199 -114 0 + 4 e 722 299 etot -8.4770E+01 mv 2 72 176 41 0 + 4 e 458 327 etot -7.5234E+01 mv 1 72 187 -104 0 + -1 e 1 360 etot 1.3528E+20 mv 1 72 54 -3 0 + 4 e 363 333 etot -7.4573E+01 mv 1 72 195 -64 0 + 4 e 427 314 etot -8.3820E+01 mv 1 72 107 -20 0 + 4 e 435 328 etot -7.9699E+01 mv 1 72 187 -177 0 + 4 e 414 316 etot -8.7193E+01 mv 1 72 114 -176 0 + 4 e 418 331 etot -8.8689E+01 mv 1 72 195 -91 0 c 195 5.5 0.0 + 4 e 456 312 etot -7.3270E+01 mv 1 72 107 -188 0 + -1 e 1 367 etot 1.3528E+20 mv 1 72 135 128 0 + 4 e 272 345 etot -9.0144E+01 mv 1 72 106 49 0 + -1 e 1 369 etot 1.3528E+20 mv 1 72 135 -131 0 + 4 e 378 321 etot -8.5222E+01 mv 1 72 115 -37 0 c 5 5.6 0.0 + 4 e 330 340 etot -8.6960E+01 mv 1 72 199 -84 0 + 4 e 296 332 etot -7.7148E+01 mv 1 72 195 -48 0 + 4 e 353 341 etot -9.0142E+01 mv 1 72 106 -111 0 + 4 e 314 330 etot -8.4889E+01 mv 1 72 187 -142 0 + 4 e 177 350 etot -7.0863E+01 mv 1 72 101 -52 0 + 4 e 400 326 etot -7.0468E+01 mv 1 72 187 -56 0 + 4 e 334 346 etot -8.7939E+01 mv 1 72 101 -91 0 + 4 e 304 347 etot -8.5927E+01 mv 1 72 101 -113 0 + 4 e 211 359 etot -8.3145E+01 mv 1 72 54 -178 0 + 4 e 458 342 etot -6.8447E+01 mv 1 72 106 -110 0 + 4 e 184 353 etot -8.4251E+01 mv 1 72 197 29 0 + 4 e 344 344 etot -7.8957E+01 mv 1 72 106 133 0 + 4 e 283 348 etot -8.9666E+01 mv 1 72 101 -167 0 + 4 e 223 366 etot -8.8557E+01 mv 1 72 135 -179 0 + 4 e 291 361 etot -8.8573E+01 mv 1 72 59 170 0 + 4 e 306 358 etot -8.9195E+01 mv 1 72 54 -179 0 + 4 e 194 376 etot -8.8225E+01 mv 1 72 142 -68 0 + 4 e 217 357 etot -8.8964E+01 mv 1 72 54 -20 0 + 4 e 178 368 etot -8.8558E+01 mv 1 72 135 81 0 + 4 e 206 363 etot -8.8574E+01 mv 1 72 59 -182 0 + 4 e 214 365 etot -8.8155E+01 mv 1 72 59 159 0 + 4 e 490 349 etot -8.1260E+01 mv 1 72 101 -47 0 + 4 e 203 371 etot -8.8278E+01 mv 1 72 98 69 0 + 4 e 447 352 etot -8.6072E+01 mv 1 72 197 173 0 + 4 e 368 364 etot -8.5590E+01 mv 1 72 59 -103 0 + -1 e 1 396 etot 1.3528E+20 mv 1 72 176 -66 0 + 4 e 421 362 etot -7.8412E+01 mv 1 72 59 -49 0 + 4 e 456 355 etot -8.3961E+01 mv 1 72 197 -113 0 + 4 e 283 378 etot -8.8224E+01 mv 1 72 142 -200 0 + -1 e 1 400 etot 1.3528E+20 mv 1 72 176 104 0 + 4 e 335 374 etot -7.3243E+01 mv 1 72 98 134 0 + 4 e 719 338 etot -8.3578E+01 mv 1 72 199 -122 0 + 4 e 243 380 etot -8.6018E+01 mv 1 72 142 135 0 + 4 e 401 370 etot -7.7520E+01 mv 1 72 135 -57 0 + 4 e 211 385 etot -8.9075E+01 mv 1 72 37 62 0 + 4 e 204 388 etot -8.8029E+01 mv 1 72 74 -195 0 + 4 e 106 402 etot -8.8814E+01 mv 0 72 79 0 0 c 79 0.4 0.0 + 4 e 84 404 etot -8.7196E+01 mv 0 72 114 0 0 c 114 0.4 0.0 + 4 e 565 356 etot -8.9259E+01 mv 1 72 54 -62 0 + 4 e 15 409 etot -9.0145E+01 mv 0 72 106 0 0 c 106 0.0 0.0 + 4 e 109 403 etot -8.6118E+01 mv 0 72 107 0 0 c 107 1.6 0.0 + 4 e 2 411 etot -8.9188E+01 mv 0 72 197 0 0 + 4 e 2 412 etot -8.9262E+01 mv 0 72 54 0 0 + 4 e 2 413 etot -8.8574E+01 mv 0 72 59 0 0 + 4 e 130 401 etot -8.8221E+01 mv 0 72 50 0 0 c 50 0.7 0.0 + 4 e 336 381 etot -8.9073E+01 mv 1 72 37 -121 0 + 4 e 2 414 etot -8.8558E+01 mv 0 72 135 0 0 + 4 e 2 416 etot -8.8225E+01 mv 0 72 142 0 0 + 4 e 2 417 etot -8.9075E+01 mv 0 72 37 0 0 +## N0 total= 25 close= 13 far= 0 %acc 52.0 +## N1 total= 95 close= 4 far= 1 %acc 5.3 +## N2 total= 100 close= 4 far= 0 %acc 4.0 +## N3 total= 0 close= 0 far= 0 %acc 0.0 +## N4 total= 0 close= 0 far= 0 %acc 0.0 +## N5 total= 0 close= 0 far= 0 %acc 0.0 +## N6 total= 200 close= 11 far= 1 %acc 6.0 +## N7 total= 0 close= 0 far= 0 %acc 0.0 +## N8 total= 0 close= 0 far= 0 %acc 0.0 +## N9 total= 0 close= 0 far= 0 %acc 0.0 +##N10 total= 0 close= 0 far= 0 %acc 0.0 +##N11 total= 0 close= 0 far= 0 %acc 0.0 +##N12 total= 0 close= 0 far= 0 %acc 0.0 +##N13 total= 0 close= 0 far= 0 %acc 0.0 +##N14 total= 0 close= 0 far= 0 %acc 0.0 +##N15 total= 0 close= 0 far= 0 %acc 0.0 +##N16 total= 0 close= 0 far= 0 %acc 0.0 +##N17 total= 0 close= 0 far= 0 %acc 0.0 +##N18 total= 0 close= 0 far= 0 %acc 0.0 + Time for refresh 73 0.25 + make_var : nseed= 20 ntry= 420 + Time for make trial 74 0.16 +Nonsetup time 155.05 sec, Eval/s = 58405.03 +Time for iter 74 1.89 sec, Eval/s = 64952.21 + UPDATING 420 + 4 e 551 407 etot -8.8688E+01 mv 0 72 195 0 0 + 4 e 32 410 etot -9.0194E+01 mv 0 72 101 0 0 c 101 0.0 0.0 + 4 e 363 393 etot -8.1418E+01 mv 1 72 158 -155 0 + 4 e 715 387 etot -8.3795E+01 mv 1 72 74 92 0 + 4 e 106 408 etot -8.7570E+01 mv 0 72 199 0 0 c 199 1.0 0.0 + 4 e 593 379 etot -7.6063E+01 mv 1 72 142 -33 0 + 4 e 12 419 etot -8.8483E+01 mv 0 72 158 0 0 c 158 0.0 0.0 + 4 e 283 398 etot -8.7890E+01 mv 1 72 176 2 0 + 4 e 430 395 etot -8.7999E+01 mv 1 72 158 59 0 + 4 e 20 418 etot -8.8147E+01 mv 0 72 74 0 0 c 74 0.0 0.0 + 4 e 12 415 etot -8.8279E+01 mv 0 72 98 0 0 c 98 0.0 0.0 + 4 e 246 397 etot -8.7890E+01 mv 1 72 176 -137 0 + 4 e 207 399 etot -8.7890E+01 mv 1 72 176 -15 0 + 4 e 346 386 etot -8.5822E+01 mv 1 72 74 140 0 + 4 e 145 405 etot -8.9617E+01 mv 0 72 115 0 0 c 115 1.0 0.0 + 4 e 121 406 etot -8.6034E+01 mv 0 72 187 0 0 + 4 e 544 372 etot -8.3599E+01 mv 1 72 98 181 0 + 4 e 687 351 etot -8.5319E+01 mv 1 72 197 56 0 + 4 e 67 420 etot -8.7891E+01 mv 0 72 176 0 0 c 176 0.2 0.0 + 4 e 165 394 etot -7.3975E+01 mv 1 72 158 -133 0 + 4 e 511 373 etot -8.7940E+01 mv 1 72 98 192 0 + 4 e 550 375 etot -7.5419E+01 mv 1 72 98 -168 0 + 4 e 243 389 etot -8.5383E+01 mv 1 72 74 -23 0 + 4 e 357 392 etot -8.8160E+01 mv 1 72 158 -78 0 + 4 e 510 382 etot -8.2199E+01 mv 1 72 37 193 0 + 4 e 302 390 etot -8.8147E+01 mv 1 72 74 4 0 + 4 e 372 377 etot -7.3219E+01 mv 1 72 142 -92 0 + 4 e 710 391 etot -9.2235E+01 mv 1 72 158 -94 0 + -1 e 1 22 etot 1.3528E+20 mv 6 73 69 185 0 + 4 e 345 384 etot -7.9476E+01 mv 1 72 37 -76 0 + 4 e 240 383 etot -8.9074E+01 mv 1 72 37 2 0 + 4 e 473 354 etot -7.8206E+01 mv 1 72 197 121 0 + -1 e 1 27 etot 1.3528E+20 mv 6 73 69 192 0 + -1 e 1 29 etot 1.3528E+20 mv 6 73 69 79 0 + -1 e 1 34 etot 1.3528E+20 mv 6 73 109 167 0 + 4 e 145 30 etot -7.1186E+01 mv 6 73 69 135 0 + -1 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361 etot -8.8802E+01 mv 1 73 13 -91 0 + 4 e 250 364 etot -8.8871E+01 mv 1 73 13 -197 0 + 4 e 322 352 etot -9.0391E+01 mv 1 73 35 -49 0 + 4 e 613 330 etot -9.1401E+01 mv 1 73 195 -165 0 + 4 e 340 349 etot -8.9125E+01 mv 1 73 77 -115 0 + 4 e 214 368 etot -8.8843E+01 mv 1 73 125 44 0 + 4 e 272 345 etot -8.9074E+01 mv 1 73 37 57 0 + 4 e 228 369 etot -8.7087E+01 mv 1 73 125 74 0 + 4 e 383 351 etot -7.4639E+01 mv 1 73 35 -74 0 + 4 e 446 344 etot -8.2200E+01 mv 1 73 37 -7 0 + 4 e 276 360 etot -8.5247E+01 mv 1 73 33 -64 0 + 4 e 259 362 etot -8.8871E+01 mv 1 73 13 20 0 + 4 e 253 374 etot -8.8574E+01 mv 1 73 59 -30 0 + 4 e 193 371 etot -8.7263E+01 mv 1 73 59 -126 0 + 4 e 184 383 etot -8.8224E+01 mv 1 73 142 102 0 + 4 e 254 375 etot -8.6302E+01 mv 1 73 59 -26 0 + 4 e 457 356 etot -9.0336E+01 mv 1 73 33 155 0 + 4 e 243 380 etot -8.7125E+01 mv 1 73 158 -148 0 + 4 e 280 379 etot -8.6611E+01 mv 1 73 158 -55 0 + 4 e 190 392 etot -8.6207E+01 mv 1 73 139 101 0 + 4 e 368 354 etot -9.0848E+01 mv 1 73 35 -109 0 + 4 e 236 388 etot -8.8147E+01 mv 1 73 74 -81 0 + 4 e 391 373 etot -7.7040E+01 mv 1 73 59 -99 0 + 4 e 169 395 etot -8.7900E+01 mv 1 73 139 84 0 + 4 e 2 409 etot -8.9075E+01 mv 0 73 37 0 0 + 4 e 10 410 etot -8.9126E+01 mv 0 73 77 0 0 c 77 0.0 0.0 + 4 e 17 407 etot -8.7242E+01 mv 0 73 185 0 0 c 185 0.0 0.0 + 4 e 495 367 etot -7.8433E+01 mv 1 73 125 43 0 + 4 e 11 411 etot -9.0850E+01 mv 0 73 35 0 0 c 35 0.0 0.0 + 4 e 313 381 etot -8.8224E+01 mv 1 73 142 -91 0 + 4 e 186 396 etot -8.9187E+01 mv 1 73 197 16 0 + 4 e 295 382 etot -8.7424E+01 mv 1 73 142 -22 0 + 4 e 2 415 etot -8.8574E+01 mv 0 73 59 0 0 + 4 e 2 413 etot -8.8871E+01 mv 0 73 13 0 0 +## N0 total= 15 close= 10 far= 0 %acc 66.7 +## N1 total= 105 close= 3 far= 0 %acc 2.9 +## N2 total= 100 close= 2 far= 0 %acc 2.0 +## N3 total= 0 close= 0 far= 0 %acc 0.0 +## N4 total= 0 close= 0 far= 0 %acc 0.0 +## N5 total= 0 close= 0 far= 0 %acc 0.0 +## N6 total= 200 close= 14 far= 1 %acc 7.5 +## N7 total= 0 close= 0 far= 0 %acc 0.0 +## N8 total= 0 close= 0 far= 0 %acc 0.0 +## N9 total= 0 close= 0 far= 0 %acc 0.0 +##N10 total= 0 close= 0 far= 0 %acc 0.0 +##N11 total= 0 close= 0 far= 0 %acc 0.0 +##N12 total= 0 close= 0 far= 0 %acc 0.0 +##N13 total= 0 close= 0 far= 0 %acc 0.0 +##N14 total= 0 close= 0 far= 0 %acc 0.0 +##N15 total= 0 close= 0 far= 0 %acc 0.0 +##N16 total= 0 close= 0 far= 0 %acc 0.0 +##N17 total= 0 close= 0 far= 0 %acc 0.0 +##N18 total= 0 close= 0 far= 0 %acc 0.0 + Time for refresh 74 0.29 + make_var : nseed= 20 ntry= 420 + Time for make trial 75 0.05 +Nonsetup time 156.89 sec, Eval/s = 58495.68 +Time for iter 75 1.83 sec, Eval/s = 66168.09 + UPDATING 420 + 4 e 12 416 etot -8.8483E+01 mv 0 73 158 0 0 + 4 e 112 402 etot -8.6465E+01 mv 0 73 29 0 0 c 29 0.7 0.0 + 4 e 345 399 etot -8.9186E+01 mv 1 73 197 147 0 + 4 e 52 405 etot -8.7477E+01 mv 0 73 187 0 0 c 187 0.4 0.0 + 4 e 317 389 etot -8.8146E+01 mv 1 73 74 165 0 + 4 e 302 390 etot -8.2509E+01 mv 1 73 74 122 0 + 4 e 32 408 etot -9.0194E+01 mv 0 73 101 0 0 + 4 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etot -7.8474E+01 mv 1 73 35 -175 0 + -1 e 1 22 etot 1.3528E+20 mv 6 74 25 120 0 + 4 e 708 386 etot -8.1847E+01 mv 1 73 74 -157 0 + 4 e 132 398 etot -7.9845E+01 mv 1 73 197 90 0 + -1 e 1 25 etot 1.3528E+20 mv 6 74 25 170 0 + 4 e 406 363 etot -8.8870E+01 mv 1 73 13 105 0 + 4 e 392 378 etot -8.5800E+01 mv 1 73 158 7 0 + 4 e 301 387 etot -8.0184E+01 mv 1 73 74 92 0 + 4 e 10 5 etot -8.6976E+01 mv 6 74 5 105 0 c 105 0.0 0.0 + 4 e 206 1 etot -8.5697E+01 mv 6 74 5 33 0 c 5 10.8 0.0 + 4 e 211 4 etot -8.5698E+01 mv 6 74 5 9 0 c 5 4.8 0.0 + 4 e 212 16 etot -8.7460E+01 mv 6 74 16 140 0 + 4 e 222 19 etot -8.1403E+01 mv 6 74 16 60 0 + 4 e 230 9 etot -7.9103E+01 mv 6 74 5 182 0 + 4 e 242 36 etot -8.6048E+01 mv 6 74 69 139 0 + -1 e 1 42 etot 1.3528E+20 mv 6 74 76 95 0 + -1 e 1 43 etot 1.3528E+20 mv 6 74 76 138 0 + 4 e 248 7 etot -8.5697E+01 mv 6 74 5 118 0 + 4 e 274 24 etot -8.3758E+01 mv 6 74 25 90 0 + 4 e 252 34 etot -8.9526E+01 mv 6 74 69 148 0 + 4 e 301 2 etot -8.5819E+01 mv 6 74 5 103 0 + 4 e 282 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etot -7.8637E+01 mv 6 74 109 135 0 + 4 e 217 69 etot -8.6445E+01 mv 6 74 109 43 0 + 4 e 252 64 etot -8.5257E+01 mv 6 74 109 72 0 + 4 e 363 49 etot -9.0084E+01 mv 6 74 76 37 0 + 4 e 297 65 etot -8.0298E+01 mv 6 74 109 13 0 + 4 e 281 72 etot -8.4604E+01 mv 6 74 162 66 0 + 4 e 486 52 etot -8.7413E+01 mv 6 74 98 37 0 + 4 e 336 58 etot -7.3419E+01 mv 6 74 98 85 0 + 4 e 350 56 etot -8.4326E+01 mv 6 74 98 75 0 + 4 e 689 29 etot -8.5107E+01 mv 6 74 25 62 0 + 4 e 406 71 etot -9.1041E+01 mv 6 74 162 79 0 + 4 e 297 76 etot -8.4375E+01 mv 6 74 162 147 0 + 4 e 309 75 etot -8.7083E+01 mv 6 74 162 68 0 + 4 e 338 63 etot -8.3231E+01 mv 6 74 109 167 0 + 4 e 341 59 etot -7.5464E+01 mv 6 74 98 188 0 + 4 e 311 81 etot -8.1791E+01 mv 6 74 163 29 0 + 4 e 360 77 etot -8.5738E+01 mv 6 74 162 191 0 + 4 e 361 78 etot -8.1466E+01 mv 6 74 162 94 0 + -1 e 1 107 etot 1.3528E+20 mv 6 74 182 66 0 + 4 e 273 74 etot -8.7454E+01 mv 6 74 162 98 0 + 4 e 343 82 etot -8.6446E+01 mv 6 74 163 147 0 + 4 e 221 87 etot 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etot -7.3738E+01 mv 2 74 182 59 0 + 4 e 153 256 etot -9.0235E+01 mv 2 74 6 175 0 + 4 e 155 265 etot -6.9558E+01 mv 2 74 101 -169 0 + 4 e 155 259 etot -9.0235E+01 mv 2 74 6 -9 0 + 4 e 381 246 etot -6.9997E+01 mv 2 74 189 -128 0 + 4 e 370 233 etot -5.7197E+01 mv 2 74 109 -185 0 + 4 e 466 243 etot -8.6678E+01 mv 2 74 163 -69 0 c 5 130.4 1.0 + 4 e 497 218 etot -7.3724E+01 mv 2 74 69 -8 0 + 4 e 548 212 etot -7.1606E+01 mv 2 74 25 -179 0 + 4 e 202 260 etot -9.0235E+01 mv 2 74 6 195 0 + 4 e 323 257 etot -8.7553E+01 mv 2 74 6 -86 0 + 4 e 279 252 etot -8.5020E+01 mv 2 74 182 140 0 + 4 e 352 258 etot -8.7553E+01 mv 2 74 6 146 0 + 4 e 584 238 etot -6.4587E+01 mv 2 74 162 -187 0 + -1 e 1 289 etot 1.3528E+20 mv 2 74 193 14 0 + 4 e 443 235 etot -8.6444E+01 mv 2 74 109 -196 0 + 4 e 631 207 etot -6.5842E+01 mv 2 74 16 -124 0 + -1 e 1 292 etot 1.3528E+20 mv 2 74 142 5 0 + 4 e 387 255 etot -8.0956E+01 mv 2 74 182 133 0 + -1 e 1 294 etot 3.6621E+30 mv 2 74 142 155 0 + 4 e 194 273 etot -8.7087E+01 mv 2 74 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-8.2811E+01 mv 2 74 101 41 0 + 4 e 193 295 etot -8.8225E+01 mv 2 74 142 55 0 + 4 e 345 282 etot -7.4515E+01 mv 2 74 65 -34 0 + -1 e 1 319 etot 1.3528E+20 mv 1 74 69 -71 0 + 4 e 202 296 etot -8.6739E+01 mv 2 74 150 -149 0 + 4 e 403 276 etot -8.3145E+01 mv 2 74 59 -6 0 + 4 e 230 285 etot -8.9231E+01 mv 2 74 65 20 0 + 4 e 308 279 etot -7.4773E+01 mv 2 74 59 -185 0 + 4 e 248 303 etot -7.5978E+01 mv 1 74 5 -70 0 + 4 e 281 301 etot -8.5655E+01 mv 1 74 5 -84 0 + 4 e 289 309 etot -8.7633E+01 mv 1 74 16 -82 0 + 4 e 246 314 etot -8.5108E+01 mv 1 74 25 -108 0 + 4 e 431 272 etot -8.8825E+01 mv 2 74 125 -145 0 + 4 e 353 304 etot -8.5934E+01 mv 1 74 5 -175 0 + 4 e 435 297 etot -8.1361E+01 mv 2 74 150 -5 0 + 4 e 238 305 etot -8.5698E+01 mv 1 74 5 -37 0 + 4 e 271 318 etot -7.2090E+01 mv 1 74 69 -50 0 + 4 e 278 316 etot -7.9250E+01 mv 1 74 69 -177 0 + -1 e 1 334 etot 1.3528E+20 mv 1 74 109 -182 0 + 4 e 415 283 etot -7.0869E+01 mv 2 74 65 5 0 + 4 e 379 284 etot -8.8965E+01 mv 2 74 65 138 0 + 4 e 355 306 etot -9.0233E+01 mv 1 74 16 -69 0 + -1 e 1 338 etot 1.3528E+20 mv 1 74 162 -100 0 + 4 e 413 300 etot -8.0334E+01 mv 2 74 150 192 0 + 4 e 364 291 etot -8.8224E+01 mv 2 74 142 48 0 + 4 e 441 277 etot -8.6880E+01 mv 2 74 59 56 0 + 4 e 383 287 etot -8.8870E+01 mv 2 74 193 17 0 + -1 e 1 343 etot 1.3528E+20 mv 1 74 163 -119 0 + 4 e 306 302 etot -7.4283E+01 mv 1 74 5 -110 0 + 4 e 377 312 etot -7.5774E+01 mv 1 74 25 -24 0 + 4 e 405 311 etot -8.5106E+01 mv 1 74 25 -1 0 + 4 e 385 315 etot -8.5106E+01 mv 1 74 25 -46 0 + 4 e 221 326 etot -8.7098E+01 mv 1 74 98 -53 0 + 4 e 517 299 etot -8.2288E+01 mv 2 74 150 170 0 + 4 e 127 331 etot -8.6445E+01 mv 1 74 109 -59 0 + 4 e 422 293 etot -7.9965E+01 mv 2 74 142 -16 0 + 4 e 473 313 etot -7.0094E+01 mv 1 74 25 -6 0 + 4 e 404 321 etot -8.6631E+01 mv 1 74 76 -186 0 + 4 e 191 335 etot -8.6445E+01 mv 1 74 109 -119 0 + 4 e 364 308 etot -9.0233E+01 mv 1 74 16 -97 0 + 4 e 449 322 etot -7.6779E+01 mv 1 74 76 -185 0 + 4 e 269 333 etot -8.6339E+01 mv 1 74 109 -85 0 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mv 1 74 163 -188 0 + 4 e 344 354 etot -8.1411E+01 mv 1 74 182 -43 0 + -1 e 1 379 etot 1.3528E+20 mv 1 74 59 83 0 + 4 e 285 352 etot -8.3250E+01 mv 1 74 182 -26 0 + 4 e 147 371 etot -8.8843E+01 mv 1 74 125 26 0 + 4 e 556 330 etot -8.3037E+01 mv 1 74 98 -119 0 + 4 e 245 365 etot -9.0143E+01 mv 1 74 101 -120 0 + 4 e 361 355 etot -8.2844E+01 mv 1 74 182 58 0 + 4 e 160 366 etot -8.9075E+01 mv 1 74 37 147 0 + 4 e 558 339 etot -8.5434E+01 mv 1 74 162 -12 0 + 4 e 538 324 etot -5.9891E+01 mv 1 74 76 -145 0 + -1 e 1 388 etot 1.3528E+20 mv 1 74 193 -96 0 + 4 e 369 357 etot -8.9191E+01 mv 1 74 6 97 0 + 4 e 318 361 etot -9.0192E+01 mv 1 74 101 -199 0 + 4 e 293 356 etot -9.0235E+01 mv 1 74 6 126 0 + 4 e 227 373 etot -8.3659E+01 mv 1 74 125 49 0 + 4 e 363 360 etot -8.0337E+01 mv 1 74 6 -121 0 + 4 e 386 363 etot -7.7913E+01 mv 1 74 101 -73 0 + 4 e 486 332 etot -7.6754E+01 mv 1 74 109 -35 0 + 4 e 234 370 etot -8.9075E+01 mv 1 74 37 -54 0 + 4 e 257 368 etot -8.5538E+01 mv 1 74 37 -96 0 + 4 e 473 342 etot -8.2908E+01 mv 1 74 163 -43 0 + 4 e 622 350 etot -8.6031E+01 mv 1 74 189 -34 0 + 4 e 303 376 etot -8.8574E+01 mv 1 74 59 -44 0 + 4 e 191 378 etot -8.8574E+01 mv 1 74 59 101 0 + 4 e 305 374 etot -8.5151E+01 mv 1 74 125 -41 0 + 4 e 419 369 etot -8.8246E+01 mv 1 74 37 -111 0 + 4 e 372 372 etot -8.7271E+01 mv 1 74 125 -48 0 + 4 e 306 377 etot -8.6302E+01 mv 1 74 59 -80 0 + 4 e 514 362 etot -7.3216E+01 mv 1 74 101 -191 0 + 4 e 135 392 etot -6.9557E+01 mv 1 74 142 -35 0 + 4 e 235 387 etot -8.8437E+01 mv 1 74 193 14 0 + 4 e 198 391 etot -7.6258E+01 mv 1 74 142 -17 0 + 4 e 74 403 etot -8.5109E+01 mv 0 74 25 0 0 c 25 0.9 0.0 + 4 e 53 407 etot -8.6445E+01 mv 0 74 109 0 0 c 109 0.4 0.0 + 4 e 2 412 etot -9.0235E+01 mv 0 74 6 0 0 + 4 e 515 367 etot -7.7303E+01 mv 1 74 37 161 0 + 4 e 2 414 etot -8.9075E+01 mv 0 74 37 0 0 + 4 e 207 393 etot -8.8224E+01 mv 1 74 142 -75 0 + 4 e 2 416 etot -8.8574E+01 mv 0 74 59 0 0 + 4 e 122 401 etot -8.5698E+01 mv 0 74 5 0 0 + 4 e 2 417 etot -8.9231E+01 mv 0 74 65 0 0 + 4 e 110 404 etot -8.6049E+01 mv 0 74 69 0 0 c 69 0.5 0.0 +## N0 total= 22 close= 9 far= 0 %acc 40.9 +## N1 total= 98 close= 3 far= 0 %acc 3.1 +## N2 total= 100 close= 6 far= 0 %acc 6.0 +## N3 total= 0 close= 0 far= 0 %acc 0.0 +## N4 total= 0 close= 0 far= 0 %acc 0.0 +## N5 total= 0 close= 0 far= 0 %acc 0.0 +## N6 total= 200 close= 11 far= 0 %acc 5.5 +## N7 total= 0 close= 0 far= 0 %acc 0.0 +## N8 total= 0 close= 0 far= 0 %acc 0.0 +## N9 total= 0 close= 0 far= 0 %acc 0.0 +##N10 total= 0 close= 0 far= 0 %acc 0.0 +##N11 total= 0 close= 0 far= 0 %acc 0.0 +##N12 total= 0 close= 0 far= 0 %acc 0.0 +##N13 total= 0 close= 0 far= 0 %acc 0.0 +##N14 total= 0 close= 0 far= 0 %acc 0.0 +##N15 total= 0 close= 0 far= 0 %acc 0.0 +##N16 total= 0 close= 0 far= 0 %acc 0.0 +##N17 total= 0 close= 0 far= 0 %acc 0.0 +##N18 total= 0 close= 0 far= 0 %acc 0.0 + Time for refresh 75 0.32 + make_var : nseed= 20 ntry= 420 + Time for make trial 76 0.08 +Nonsetup time 158.70 sec, Eval/s = 58549.97 +Time for iter 76 1.81 sec, Eval/s = 63259.09 + UPDATING 420 + 4 e 459 395 etot -7.2319E+01 mv 1 74 142 -87 0 + 4 e 65 409 etot -8.8969E+01 mv 0 74 163 0 0 c 163 0.3 0.0 + 4 e 18 418 etot -8.8438E+01 mv 0 74 193 0 0 c 193 0.0 0.0 + 4 e 650 382 etot -8.9442E+01 mv 1 74 65 -27 0 c 65 31.7 0.2 + 4 e 513 394 etot -6.7958E+01 mv 1 74 142 -120 0 + 4 e 2 419 etot -8.8225E+01 mv 0 74 142 0 0 + 4 e 472 383 etot -7.3227E+01 mv 1 74 65 -178 0 + 4 e 120 405 etot -8.6751E+01 mv 0 74 76 0 0 c 76 0.7 0.0 + 4 e 435 384 etot -7.9132E+01 mv 1 74 65 -94 0 + 4 e 106 410 etot -8.5955E+01 mv 0 74 189 0 0 + 4 e 322 400 etot -7.9667E+01 mv 1 74 150 -54 0 + 4 e 26 413 etot -9.0194E+01 mv 0 74 101 0 0 c 101 0.0 0.0 + 4 e 391 390 etot -8.7311E+01 mv 1 74 193 -161 0 + 4 e 555 385 etot -8.2544E+01 mv 1 74 65 -144 0 + 4 e 2 420 etot -8.8216E+01 mv 0 74 150 0 0 + -1 e 1 8 etot 1.3528E+20 mv 6 75 5 46 0 + 4 e 118 406 etot -8.8293E+01 mv 0 74 98 0 0 c 98 0.8 0.0 + 4 e 97 411 etot -8.5021E+01 mv 0 74 182 0 0 c 182 0.7 0.0 + 4 e 401 380 etot -8.0030E+01 mv 1 74 59 -44 0 + 4 e 35 415 etot -8.8844E+01 mv 0 74 125 0 0 + 4 e 601 375 etot -8.0319E+01 mv 1 74 125 -153 0 + 4 e 522 364 etot -8.8386E+01 mv 1 74 101 -182 0 + 4 e 186 398 etot -8.8215E+01 mv 1 74 150 -29 0 + 4 e 161 399 etot -8.8215E+01 mv 1 74 150 40 0 + -1 e 1 17 etot 1.3528E+20 mv 6 75 53 3 0 + 4 e 664 397 etot -8.5984E+01 mv 1 74 150 -116 0 + 4 e 84 402 etot -9.0235E+01 mv 0 74 16 0 0 c 16 1.6 0.0 + 4 e 206 396 etot -8.8215E+01 mv 1 74 150 -112 0 + 4 e 608 336 etot -8.4920E+01 mv 1 74 162 -110 0 + 4 e 373 389 etot -8.7162E+01 mv 1 74 193 -138 0 + 4 e 90 408 etot -8.5436E+01 mv 0 74 162 0 0 + 4 e 222 386 etot -8.8438E+01 mv 1 74 193 -66 0 + -1 e 1 26 etot 1.3528E+20 mv 6 75 120 31 0 + 4 e 246 381 etot -8.9231E+01 mv 1 74 65 96 0 + -1 e 1 30 etot 1.3528E+20 mv 6 75 120 29 0 + -1 e 1 11 etot 1.3528E+20 mv 6 75 53 25 0 + -1 e 1 7 etot 1.7044E+37 mv 6 75 5 13 0 + 4 e 37 12 etot -8.9126E+01 mv 6 75 53 77 0 c 77 0.0 0.0 + 4 e 158 34 etot -8.5186E+01 mv 6 75 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+##N12 total= 0 close= 0 far= 0 %acc 0.0 +##N13 total= 0 close= 0 far= 0 %acc 0.0 +##N14 total= 0 close= 0 far= 0 %acc 0.0 +##N15 total= 0 close= 0 far= 0 %acc 0.0 +##N16 total= 0 close= 0 far= 0 %acc 0.0 +##N17 total= 0 close= 0 far= 0 %acc 0.0 +##N18 total= 0 close= 0 far= 0 %acc 0.0 + Time for refresh 76 0.35 + make_var : nseed= 20 ntry= 420 + Time for make trial 77 0.05 +Nonsetup time 160.50 sec, Eval/s = 58598.06 +Time for iter 77 1.81 sec, Eval/s = 62817.31 + UPDATING 420 + 4 e 192 398 etot -8.5962E+01 mv 1 75 98 -136 0 + 4 e 505 400 etot -8.1224E+01 mv 1 75 98 -21 0 + 4 e 26 410 etot -9.0194E+01 mv 0 75 101 0 0 + 4 e 98 407 etot -8.6035E+01 mv 0 75 189 0 0 c 189 1.0 0.0 + 4 e 150 403 etot -8.5149E+01 mv 0 75 120 0 0 c 120 2.0 0.0 + 4 e 281 399 etot -8.8016E+01 mv 1 75 98 -34 0 + 4 e 111 404 etot -8.5366E+01 mv 0 75 156 0 0 c 156 1.1 0.0 + 4 e 347 397 etot -7.9911E+01 mv 1 75 98 -76 0 + -1 e 1 1 etot 1.3528E+20 mv 6 76 65 64 0 + 4 e 10 419 etot -8.8483E+01 mv 0 75 158 0 0 c 158 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etot -7.4266E+01 mv 6 76 92 161 0 + 4 e 395 6 etot -8.7481E+01 mv 6 76 65 41 0 + -1 e 1 73 etot 9.3210E+24 mv 6 76 66 61 0 + 4 e 45 70 etot -8.4886E+01 mv 6 76 106 53 0 c 53 0.7 0.0 + 4 e 412 16 etot -8.0811E+01 mv 6 76 69 54 0 + 4 e 282 44 etot -9.0467E+01 mv 6 76 92 130 0 + 4 e 246 45 etot -9.0747E+01 mv 6 76 92 46 0 + 4 e 546 9 etot -8.5990E+01 mv 6 76 65 138 0 + 4 e 438 18 etot -8.5825E+01 mv 6 76 69 66 0 + 4 e 471 31 etot -8.4920E+01 mv 6 76 108 77 0 + -1 e 1 82 etot 1.3528E+20 mv 6 76 197 178 0 + 4 e 515 23 etot -8.3357E+01 mv 6 76 135 83 0 + -1 e 1 84 etot 1.3528E+20 mv 6 76 197 160 0 + 4 e 345 42 etot -7.8901E+01 mv 6 76 92 55 0 + 4 e 204 53 etot -8.8754E+01 mv 6 76 101 151 0 + 4 e 539 24 etot -8.6024E+01 mv 6 76 135 86 0 + 4 e 509 28 etot -7.8428E+01 mv 6 76 135 61 0 + 4 e 323 48 etot -7.8502E+01 mv 6 76 92 59 0 + 4 e 352 51 etot -7.6199E+01 mv 6 76 101 197 0 + -1 e 1 91 etot 1.3528E+20 mv 6 76 37 157 0 + 4 e 170 81 etot -7.1579E+01 mv 6 76 197 127 0 + 4 e 185 46 etot 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76 90 151 0 + 4 e 248 151 etot -6.9858E+01 mv 6 76 4 131 0 + 4 e 434 116 etot -8.0731E+01 mv 6 76 59 65 0 + 4 e 288 150 etot -8.4267E+01 mv 6 76 142 87 0 + 4 e 256 160 etot -8.5757E+01 mv 6 76 4 137 0 + 4 e 419 140 etot -8.8220E+01 mv 6 76 158 134 0 + 4 e 257 141 etot -8.6617E+01 mv 6 76 142 5 0 + 4 e 280 158 etot -8.8115E+01 mv 6 76 4 90 0 + 4 e 388 148 etot -8.7349E+01 mv 6 76 142 181 0 + 4 e 237 162 etot -8.4882E+01 mv 6 76 74 13 0 + 4 e 624 107 etot -8.5192E+01 mv 6 76 13 29 0 + 4 e 357 153 etot -8.6372E+01 mv 6 76 4 129 0 + 4 e 476 145 etot -8.8223E+01 mv 6 76 142 67 0 + 4 e 161 176 etot -8.3844E+01 mv 6 76 90 139 0 + 4 e 544 135 etot -8.8006E+01 mv 6 76 158 119 0 + 4 e 316 161 etot -8.3448E+01 mv 6 76 74 30 0 + 4 e 230 169 etot -8.8104E+01 mv 6 76 74 61 0 + 4 e 192 175 etot -8.6630E+01 mv 6 76 90 61 0 + 4 e 272 154 etot -8.8115E+01 mv 6 76 4 11 0 + 4 e 76 184 etot -8.6118E+01 mv 6 76 137 107 0 c 107 0.4 0.0 + 4 e 304 115 etot -8.5554E+01 mv 6 76 59 19 0 + 4 e 254 159 etot 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314 276 etot -7.9279E+01 mv 2 76 4 -95 0 + 4 e 469 257 etot -8.7720E+01 mv 2 76 59 146 0 + -1 e 1 303 etot 1.3528E+20 mv 1 76 65 -182 0 + 4 e 128 293 etot -8.7959E+01 mv 2 76 137 -27 0 + 4 e 488 256 etot -8.2129E+01 mv 2 76 59 173 0 + 4 e 184 286 etot -8.8046E+01 mv 2 76 90 114 0 + 4 e 447 250 etot -8.2200E+01 mv 2 76 37 65 0 + 4 e 618 227 etot -8.4002E+01 mv 2 76 101 -79 0 + 4 e 329 264 etot -7.7715E+01 mv 2 76 150 162 0 + 4 e 203 289 etot -8.8021E+01 mv 2 76 90 191 0 + 4 e 334 278 etot -7.9805E+01 mv 2 76 4 -44 0 + 4 e 203 284 etot -7.1789E+01 mv 2 76 74 -34 0 + -1 e 1 313 etot 1.3528E+20 mv 1 76 135 -182 0 + 4 e 469 267 etot -8.5760E+01 mv 2 76 158 136 0 + 4 e 363 279 etot -8.8114E+01 mv 2 76 4 62 0 + 4 e 373 277 etot -7.6152E+01 mv 2 76 4 -169 0 + 4 e 251 290 etot -8.7748E+01 mv 2 76 90 -7 0 + 4 e 357 270 etot -8.8482E+01 mv 2 76 158 132 0 + 4 e 416 280 etot -8.8114E+01 mv 2 76 4 98 0 + 4 e 271 281 etot -8.1914E+01 mv 2 76 74 -72 0 + 4 e 277 295 etot -8.6936E+01 mv 2 76 137 135 0 + 4 e 236 292 etot -7.2286E+01 mv 2 76 137 -98 0 + 4 e 447 283 etot -8.8146E+01 mv 2 76 74 22 0 + 4 e 320 296 etot -8.2776E+01 mv 2 76 176 -170 0 + 4 e 191 311 etot -8.8680E+01 mv 1 76 135 -134 0 c 135 1.4 0.0 + 4 e 393 291 etot -8.7957E+01 mv 2 76 137 -121 0 + 4 e 201 315 etot -8.8680E+01 mv 1 76 135 -75 0 + 4 e 323 299 etot -9.1401E+01 mv 2 76 176 -40 0 + -1 e 1 329 etot 1.3528E+20 mv 1 76 101 47 0 + -1 e 1 330 etot 3.2411E+20 mv 1 76 101 25 0 + 4 e 235 301 etot -8.9446E+01 mv 1 76 65 -60 0 c 65 1.6 0.0 + 4 e 246 318 etot -8.5770E+01 mv 1 76 108 149 0 + 4 e 366 300 etot -7.8366E+01 mv 2 76 176 191 0 + 4 e 354 302 etot -8.9230E+01 mv 1 76 65 -123 0 + 4 e 802 237 etot -9.0233E+01 mv 2 76 66 23 0 + 4 e 427 297 etot -7.6021E+01 mv 2 76 176 -160 0 + -1 e 1 337 etot 1.3528E+20 mv 1 76 66 195 0 + 4 e 237 310 etot -8.7414E+01 mv 1 76 69 -34 0 c 55 169.0 1.3 + 4 e 378 304 etot -7.9735E+01 mv 1 76 65 -93 0 + 4 e 323 317 etot -8.6068E+01 mv 1 76 108 -145 0 + 4 e 252 320 etot -8.6068E+01 mv 1 76 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mv 1 76 65 -69 0 + 4 e 385 309 etot -6.9194E+01 mv 1 76 69 -149 0 + 4 e 253 333 etot -9.0144E+01 mv 1 76 106 110 0 + 4 e 368 325 etot -9.0746E+01 mv 1 76 92 -108 0 + 4 e 275 335 etot -7.0492E+01 mv 1 76 106 -40 0 + 4 e 338 331 etot -9.0153E+01 mv 1 76 106 38 0 + 4 e 256 341 etot -8.9187E+01 mv 1 76 197 -196 0 + 4 e 328 323 etot -9.0467E+01 mv 1 76 92 -175 0 + 4 e 642 282 etot -8.5232E+01 mv 2 76 74 75 0 + 4 e 213 350 etot -8.9075E+01 mv 1 76 37 4 0 + -1 e 1 372 etot 1.3528E+20 mv 1 76 142 119 0 + 4 e 302 346 etot -7.4747E+01 mv 1 76 37 -131 0 + 4 e 162 363 etot -8.8215E+01 mv 1 76 150 27 0 + 4 e 170 362 etot -7.7196E+01 mv 1 76 150 -182 0 + 4 e 267 352 etot -8.8166E+01 mv 1 76 13 165 0 + 4 e 274 351 etot -8.8870E+01 mv 1 76 13 -64 0 + 4 e 216 361 etot -8.8215E+01 mv 1 76 150 -8 0 + 4 e 181 365 etot -8.8215E+01 mv 1 76 150 13 0 + 4 e 182 366 etot -8.8483E+01 mv 1 76 158 181 0 + 4 e 423 343 etot -7.8450E+01 mv 1 76 197 4 0 + 4 e 318 356 etot -8.5857E+01 mv 1 76 59 -183 0 + 4 e 663 294 etot -7.9945E+01 mv 2 76 137 -152 0 + 4 e 353 336 etot -8.8834E+01 mv 1 76 66 5 0 + 4 e 339 355 etot -8.8826E+01 mv 1 76 13 123 0 + 4 e 348 359 etot -7.8867E+01 mv 1 76 59 -63 0 + 4 e 138 376 etot -8.8116E+01 mv 1 76 4 109 0 + 4 e 242 360 etot -8.8574E+01 mv 1 76 59 8 0 + 4 e 451 348 etot -8.3531E+01 mv 1 76 37 -127 0 + 4 e 240 369 etot -8.8483E+01 mv 1 76 158 103 0 + 4 e 218 364 etot -7.6809E+01 mv 1 76 150 195 0 + -1 e 1 392 etot 1.3528E+20 mv 1 76 137 143 0 + 4 e 411 332 etot -7.7652E+01 mv 1 76 106 -133 0 + 4 e 537 340 etot -8.0294E+01 mv 1 76 66 -122 0 + 4 e 297 368 etot -8.5350E+01 mv 1 76 158 -92 0 + 4 e 317 353 etot -7.8183E+01 mv 1 76 13 -192 0 + 4 e 278 374 etot -8.8224E+01 mv 1 76 142 -19 0 + 4 e 262 378 etot -8.8115E+01 mv 1 76 4 156 0 + 4 e 210 382 etot -8.8147E+01 mv 1 76 74 195 0 + 4 e 190 386 etot -8.8046E+01 mv 1 76 90 -66 0 c 90 2.1 0.0 + 4 e 231 383 etot -8.8147E+01 mv 1 76 74 -150 0 + 4 e 314 380 etot -7.7384E+01 mv 1 76 4 -33 0 + 4 e 497 339 etot -8.1237E+01 mv 1 76 66 -65 0 + 4 e 336 375 etot -8.8224E+01 mv 1 76 142 91 0 + 4 e 206 388 etot -8.2654E+01 mv 1 76 90 -163 0 + 4 e 167 395 etot -8.7959E+01 mv 1 76 137 -89 0 + 4 e 13 406 etot -9.0194E+01 mv 0 76 101 0 0 c 101 0.0 0.0 + 4 e 2 408 etot -8.9261E+01 mv 0 76 66 0 0 + 4 e 16 404 etot -8.6069E+01 mv 0 76 108 0 0 c 108 0.0 0.0 + 4 e 2 409 etot -8.9188E+01 mv 0 76 197 0 0 + 4 e 2 410 etot -8.9075E+01 mv 0 76 37 0 0 + 4 e 2 411 etot -8.8871E+01 mv 0 76 13 0 0 + 4 e 598 357 etot -8.1007E+01 mv 1 76 59 -17 0 + 4 e 2 413 etot -8.8216E+01 mv 0 76 150 0 0 + 4 e 2 412 etot -8.8574E+01 mv 0 76 59 0 0 + 4 e 2 415 etot -8.8225E+01 mv 0 76 142 0 0 + 4 e 2 417 etot -8.8147E+01 mv 0 76 74 0 0 + 4 e 10 414 etot -8.8483E+01 mv 0 76 158 0 0 + 4 e 2 419 etot -8.7959E+01 mv 0 76 137 0 0 +## N0 total= 23 close= 10 far= 0 %acc 43.5 +## N1 total= 97 close= 4 far= 0 %acc 4.1 +## N2 total= 100 close= 3 far= 0 %acc 3.0 +## N3 total= 0 close= 0 far= 0 %acc 0.0 +## N4 total= 0 close= 0 far= 0 %acc 0.0 +## N5 total= 0 close= 0 far= 0 %acc 0.0 +## N6 total= 200 close= 4 far= 1 %acc 2.5 +## N7 total= 0 close= 0 far= 0 %acc 0.0 +## N8 total= 0 close= 0 far= 0 %acc 0.0 +## N9 total= 0 close= 0 far= 0 %acc 0.0 +##N10 total= 0 close= 0 far= 0 %acc 0.0 +##N11 total= 0 close= 0 far= 0 %acc 0.0 +##N12 total= 0 close= 0 far= 0 %acc 0.0 +##N13 total= 0 close= 0 far= 0 %acc 0.0 +##N14 total= 0 close= 0 far= 0 %acc 0.0 +##N15 total= 0 close= 0 far= 0 %acc 0.0 +##N16 total= 0 close= 0 far= 0 %acc 0.0 +##N17 total= 0 close= 0 far= 0 %acc 0.0 +##N18 total= 0 close= 0 far= 0 %acc 0.0 + Time for refresh 77 0.41 + make_var : nseed= 20 ntry= 420 + Time for make trial 78 0.14 +Nonsetup time 162.50 sec, Eval/s = 58618.57 +Time for iter 78 2.00 sec, Eval/s = 60264.50 + UPDATING 420 + 4 e 282 398 etot -8.7890E+01 mv 1 76 176 144 0 + 4 e 466 391 etot -8.4382E+01 mv 1 76 137 -142 0 + 4 e 101 418 etot -8.8046E+01 mv 0 76 90 0 0 c 90 1.5 0.0 + 4 e 381 399 etot -8.4554E+01 mv 1 76 176 -89 0 + 4 e 502 379 etot -7.2365E+01 mv 1 76 4 197 0 + 4 e 477 373 etot -8.8223E+01 mv 1 76 142 21 0 + 4 e 340 396 etot -8.4554E+01 mv 1 76 176 -79 0 + 4 e 324 400 etot -8.7890E+01 mv 1 76 176 167 0 + 4 e 134 403 etot -8.8680E+01 mv 0 76 135 0 0 c 135 0.6 0.0 + 4 e 62 405 etot -9.0747E+01 mv 0 76 92 0 0 c 92 0.3 0.0 + 4 e 180 401 etot -8.9446E+01 mv 0 76 65 0 0 + 4 e 528 367 etot -8.7065E+01 mv 1 76 158 -26 0 + 4 e 12 420 etot -8.7891E+01 mv 0 76 176 0 0 c 176 0.0 0.0 + 4 e 517 381 etot -8.0464E+01 mv 1 76 74 -108 0 + -1 e 1 5 etot 9.7588E+20 mv 6 77 55 116 0 + -1 e 1 6 etot 1.0928E+39 mv 6 77 55 125 0 + -1 e 1 7 etot 1.8879E+41 mv 6 77 55 106 0 + -1 e 1 8 etot 1.3528E+20 mv 6 77 55 91 0 + -1 e 1 9 etot 1.3528E+20 mv 6 77 55 2 0 + 4 e 549 387 etot -8.0261E+01 mv 1 76 90 -113 0 + 4 e 506 377 etot -8.4481E+01 mv 1 76 4 -22 0 + 4 e 140 402 etot -8.7414E+01 mv 0 76 69 0 0 c 55 1.6 0.0 + 4 e 354 390 etot -8.7561E+01 mv 1 76 90 101 0 + 4 e 85 407 etot -9.0153E+01 mv 0 76 106 0 0 c 106 1.4 0.0 + 4 e 516 344 etot -8.1977E+01 mv 1 76 197 -88 0 + 4 e 651 347 etot -7.9388E+01 mv 1 76 37 6 0 + 4 e 285 389 etot -8.8021E+01 mv 1 76 90 118 0 + 4 e 437 371 etot -6.3068E+01 mv 1 76 142 -169 0 + 4 e 476 370 etot -8.5402E+01 mv 1 76 158 -71 0 + 4 e 11 416 etot -8.8116E+01 mv 0 76 4 0 0 c 4 0.0 0.0 + 4 e 621 358 etot -8.8571E+01 mv 1 76 59 -157 0 + 4 e 228 385 etot -8.8147E+01 mv 1 76 74 -20 0 + 4 e 318 394 etot -8.6901E+01 mv 1 76 137 62 0 + -1 e 1 26 etot 1.3528E+20 mv 6 77 153 85 0 + 4 e 146 397 etot -8.7890E+01 mv 1 76 176 13 0 + 4 e 360 393 etot -8.7958E+01 mv 1 76 137 -40 0 + 4 e 274 384 etot -8.8050E+01 mv 1 76 74 183 0 + -1 e 1 31 etot 1.3528E+20 mv 6 77 103 111 0 + -1 e 1 35 etot 1.3528E+20 mv 6 77 103 65 0 + -1 e 1 20 etot 1.3528E+20 mv 6 77 69 152 0 + -1 e 1 24 etot 1.3528E+20 mv 6 77 153 106 0 + 4 e 52 22 etot -8.6730E+01 mv 6 77 153 7 0 c 7 0.1 0.0 + 4 e 147 11 etot -8.8483E+01 mv 6 77 69 158 0 + 4 e 167 33 etot -8.8566E+01 mv 6 77 103 174 0 + 4 e 243 3 etot -8.7414E+01 mv 6 77 55 90 0 + 4 e 162 42 etot 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12 etot -8.3987E+01 mv 6 77 69 182 0 + 4 e 314 54 etot -8.8031E+01 mv 6 77 33 140 0 + 4 e 521 48 etot -8.0158E+01 mv 6 77 191 173 0 + 4 e 169 78 etot -8.6747E+01 mv 6 77 197 158 0 + 4 e 384 61 etot -8.9833E+01 mv 6 77 101 195 0 + 4 e 332 59 etot -8.4477E+01 mv 6 77 33 156 0 + 4 e 218 52 etot -9.0081E+01 mv 6 77 33 74 0 + 4 e 282 68 etot -7.5653E+01 mv 6 77 101 111 0 + 4 e 459 65 etot -8.3140E+01 mv 6 77 101 43 0 + 4 e 287 75 etot -8.4918E+01 mv 6 77 197 187 0 + 4 e 369 53 etot -8.8961E+01 mv 6 77 33 73 0 + -1 e 1 99 etot 1.3528E+20 mv 6 77 66 122 0 + 4 e 372 36 etot -8.7125E+01 mv 6 77 103 44 0 + 4 e 261 83 etot -6.9453E+01 mv 6 77 13 195 0 + 4 e 271 70 etot -9.0193E+01 mv 6 77 101 86 0 + 4 e 363 74 etot -8.8222E+01 mv 6 77 197 170 0 + 4 e 478 51 etot -9.0335E+01 mv 6 77 33 48 0 + 4 e 320 76 etot -8.9261E+01 mv 6 77 197 66 0 + 4 e 330 71 etot -8.7003E+01 mv 6 77 197 170 0 + 4 e 251 90 etot -8.2966E+01 mv 6 77 13 163 0 + 4 e 274 88 etot -9.1847E+01 mv 6 77 13 17 0 + 4 e 232 85 etot -8.2846E+01 mv 6 77 13 139 0 + 4 e 410 82 etot -7.8206E+01 mv 6 77 13 196 0 + 4 e 320 77 etot -8.6356E+01 mv 6 77 197 95 0 + 4 e 441 81 etot -7.9471E+01 mv 6 77 13 32 0 + 4 e 500 73 etot -7.8504E+01 mv 6 77 197 18 0 + 4 e 366 84 etot -8.2840E+01 mv 6 77 13 115 0 + 4 e 352 91 etot -7.0802E+01 mv 6 77 66 34 0 + 4 e 352 92 etot -7.8924E+01 mv 6 77 66 53 0 + 4 e 512 79 etot -8.2195E+01 mv 6 77 197 55 0 + 4 e 437 87 etot -7.9530E+01 mv 6 77 13 160 0 + 4 e 424 89 etot -8.0288E+01 mv 6 77 13 21 0 + 4 e 226 105 etot -8.2670E+01 mv 6 77 125 121 0 + -1 e 1 121 etot 1.3528E+20 mv 6 77 59 179 0 + 4 e 399 93 etot -8.8694E+01 mv 6 77 66 53 0 + 4 e 207 106 etot -8.3186E+01 mv 6 77 125 135 0 + 4 e 144 107 etot -8.6445E+01 mv 6 77 125 109 0 + 4 e 494 44 etot -9.0759E+01 mv 6 77 191 41 0 + -1 e 1 126 etot 1.3528E+20 mv 6 77 59 35 0 + 4 e 76 123 etot -8.6634E+01 mv 6 77 59 149 0 c 149 0.6 0.0 + 4 e 408 102 etot -7.1164E+01 mv 6 77 125 155 0 + 4 e 277 109 etot -8.8843E+01 mv 6 77 125 153 0 + 4 e 239 114 etot -8.7072E+01 mv 6 77 37 130 0 + 4 e 316 108 etot -7.7264E+01 mv 6 77 125 121 0 + 4 e 467 98 etot -9.0654E+01 mv 6 77 66 89 0 + 4 e 253 103 etot -8.8843E+01 mv 6 77 125 123 0 + 4 e 226 117 etot -8.5176E+01 mv 6 77 37 199 0 + 4 e 520 72 etot -8.0478E+01 mv 6 77 197 189 0 + 4 e 150 128 etot -6.6149E+01 mv 6 77 59 168 0 + 4 e 235 120 etot -8.9074E+01 mv 6 77 37 87 0 + 4 e 560 97 etot -9.0499E+01 mv 6 77 66 27 0 + -1 e 1 139 etot 1.3528E+20 mv 6 77 150 65 0 + 4 e 605 94 etot -8.9087E+01 mv 6 77 66 118 0 + 4 e 236 112 etot -8.7479E+01 mv 6 77 37 154 0 + 4 e 281 118 etot -7.8152E+01 mv 6 77 37 9 0 + 4 e 353 113 etot -8.9074E+01 mv 6 77 37 1 0 + -1 e 1 143 etot 1.3528E+20 mv 6 77 142 134 0 + 4 e 137 125 etot -8.6743E+01 mv 6 77 59 78 0 + 4 e 294 119 etot -8.0440E+01 mv 6 77 37 114 0 + 4 e 663 66 etot -8.6902E+01 mv 6 77 101 48 0 + 4 e 352 115 etot -7.3758E+01 mv 6 77 37 3 0 + -1 e 1 149 etot 1.3528E+20 mv 6 77 142 131 0 + 4 e 344 100 etot -8.8466E+01 mv 6 77 66 180 0 + 4 e 296 122 etot -8.6095E+01 mv 6 77 59 163 0 + 4 e 352 116 etot -8.7207E+01 mv 6 77 37 33 0 c 130 46.3 0.0 + 4 e 195 130 etot -8.5430E+01 mv 6 77 59 58 0 + 4 e 365 124 etot -7.2736E+01 mv 6 77 59 157 0 + 4 e 157 138 etot -8.8215E+01 mv 6 77 150 183 0 + 4 e 641 104 etot -8.2513E+01 mv 6 77 125 152 0 + 4 e 262 135 etot -8.6811E+01 mv 6 77 150 151 0 + -1 e 1 158 etot 1.3528E+20 mv 6 77 4 131 0 + 4 e 352 129 etot -7.3062E+01 mv 6 77 59 149 0 + 4 e 149 154 etot -7.6753E+01 mv 6 77 4 105 0 + 4 e 618 111 etot -8.0437E+01 mv 6 77 37 23 0 + 4 e 177 136 etot -8.8215E+01 mv 6 77 150 199 0 + -1 e 1 163 etot 1.3528E+20 mv 6 77 137 110 0 + 4 e 291 101 etot -7.7419E+01 mv 6 77 125 110 0 + 4 e 38 161 etot -8.6680E+01 mv 6 77 137 5 0 c 5 0.1 0.0 + 4 e 217 153 etot -8.9133E+01 mv 6 77 4 199 0 + 4 e 307 137 etot -7.7265E+01 mv 6 77 150 127 0 + 4 e 598 96 etot -8.7473E+01 mv 6 77 66 72 0 + 4 e 237 152 etot -8.8115E+01 mv 6 77 4 6 0 + 4 e 386 131 etot -7.5092E+01 mv 6 77 150 58 0 + 4 e 382 133 etot -7.7053E+01 mv 6 77 150 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-8.6577E+01 mv 6 77 59 185 0 + 4 e 412 142 etot -7.5395E+01 mv 6 77 142 163 0 + -1 e 1 194 etot 2.4848E+21 mv 6 77 50 120 0 + -1 e 1 193 etot 1.3528E+20 mv 6 77 50 171 0 + 4 e 359 148 etot -8.8224E+01 mv 6 77 142 56 0 + 4 e 245 178 etot -8.6555E+01 mv 6 77 123 3 0 + 4 e 221 174 etot -8.8438E+01 mv 6 77 123 193 0 + 4 e 281 177 etot -8.6729E+01 mv 6 77 123 7 0 + 4 e 342 173 etot -9.0798E+01 mv 6 77 123 22 0 + 4 e 509 157 etot -7.2410E+01 mv 6 77 4 17 0 + 4 e 260 169 etot -8.6014E+01 mv 6 77 137 154 0 + 4 e 393 151 etot -8.4737E+01 mv 6 77 4 116 0 + 4 e 400 171 etot -8.0332E+01 mv 6 77 123 87 0 + 4 e 410 168 etot -8.2288E+01 mv 6 77 137 117 0 + 4 e 449 170 etot -8.6293E+01 mv 6 77 137 200 0 + 4 e 423 172 etot -9.1685E+01 mv 6 77 123 150 0 + 4 e 106 187 etot -8.5120E+01 mv 6 77 45 72 0 + 4 e 279 176 etot -8.7097E+01 mv 6 77 123 119 0 + 4 e 330 164 etot -8.7791E+01 mv 6 77 137 124 0 + 4 e 245 189 etot -8.5595E+01 mv 6 77 45 86 0 + 4 e 515 167 etot -8.1679E+01 mv 6 77 137 134 0 + 4 e 315 186 etot -8.1427E+01 mv 6 77 45 62 0 + 4 e 135 200 etot -8.5196E+01 mv 6 77 50 169 0 + -1 e 1 213 etot 1.3528E+20 mv 2 77 153 -178 0 + 4 e 326 188 etot -8.7001E+01 mv 6 77 45 69 0 + 4 e 381 181 etot -8.7944E+01 mv 6 77 45 26 0 + 4 e 392 165 etot -8.4352E+01 mv 6 77 137 77 0 + 4 e 185 201 etot -8.5943E+01 mv 2 77 55 -48 0 + 4 e 629 160 etot -8.5820E+01 mv 6 77 4 197 0 + 4 e 545 175 etot -8.0147E+01 mv 6 77 123 110 0 + 4 e 310 192 etot -8.4044E+01 mv 6 77 50 44 0 + 4 e 439 182 etot -8.7103E+01 mv 6 77 45 101 0 + 4 e 221 205 etot -8.5453E+01 mv 2 77 55 -72 0 + 4 e 306 184 etot -8.4445E+01 mv 6 77 45 32 0 + 4 e 378 190 etot -8.4648E+01 mv 6 77 45 24 0 + 4 e 231 195 etot -8.7715E+01 mv 6 77 50 33 0 + 4 e 194 203 etot -7.4551E+01 mv 2 77 55 -24 0 + 4 e 212 199 etot -8.5327E+01 mv 6 77 50 63 0 + -1 e 1 230 etot 1.3528E+20 mv 2 77 33 -183 0 + 4 e 219 196 etot -8.7926E+01 mv 6 77 50 128 0 + 4 e 198 216 etot -8.6774E+01 mv 2 77 103 200 0 + 4 e 285 207 etot -5.8615E+01 mv 2 77 69 -111 0 + 4 e 575 183 etot -8.0235E+01 mv 6 77 45 25 0 + 4 e 197 209 etot -8.6252E+01 mv 2 77 69 -127 0 + 4 e 135 225 etot -9.0761E+01 mv 2 77 191 -123 0 + 4 e 260 218 etot -7.4830E+01 mv 2 77 103 -19 0 + 4 e 456 198 etot -7.5770E+01 mv 6 77 50 183 0 + 4 e 224 221 etot -8.4983E+01 mv 2 77 191 -155 0 + 4 e 398 206 etot -8.5178E+01 mv 2 77 69 -49 0 + 4 e 247 220 etot -8.6729E+01 mv 2 77 103 144 0 + 4 e 458 202 etot -7.9740E+01 mv 2 77 55 -200 0 + -1 e 1 243 etot 1.3528E+20 mv 2 77 13 -196 0 + 4 e 308 217 etot -8.6470E+01 mv 2 77 103 80 0 + 4 e 324 212 etot -8.0680E+01 mv 2 77 153 -169 0 + 4 e 239 223 etot -7.9759E+01 mv 2 77 191 95 0 + 4 e 337 214 etot -7.0260E+01 mv 2 77 153 -155 0 + 4 e 401 208 etot -8.2276E+01 mv 2 77 69 -138 0 + 4 e 279 224 etot -7.2512E+01 mv 2 77 191 -115 0 + 4 e 288 222 etot -8.7627E+01 mv 2 77 191 -103 0 + 4 e 482 179 etot -8.6174E+01 mv 6 77 123 162 0 + 4 e 267 227 etot -9.0337E+01 mv 2 77 33 194 0 + 4 e 315 204 etot -6.6834E+01 mv 2 77 55 -182 0 + 4 e 373 197 etot -9.0744E+01 mv 6 77 50 194 0 + 4 e 151 244 etot -8.8871E+01 mv 2 77 13 71 0 + 4 e 495 215 etot -7.8797E+01 mv 2 77 153 -70 0 + 4 e 247 228 etot -9.0337E+01 mv 2 77 33 -11 0 + 4 e 196 242 etot -7.2263E+01 mv 2 77 13 39 0 + 4 e 282 235 etot -8.7939E+01 mv 2 77 101 -66 0 + 4 e 317 234 etot -9.0193E+01 mv 2 77 101 84 0 + 4 e 163 250 etot -6.8539E+01 mv 2 77 66 95 0 + 4 e 351 219 etot -7.7531E+01 mv 2 77 103 32 0 + -1 e 1 263 etot 1.3528E+20 mv 2 77 59 106 0 + 4 e 288 226 etot -9.1459E+01 mv 2 77 33 16 0 + 4 e 301 239 etot -7.4950E+01 mv 2 77 197 -176 0 + 4 e 183 251 etot -8.8843E+01 mv 2 77 125 54 0 + 4 e 288 231 etot -9.0193E+01 mv 2 77 101 -124 0 + 4 e 249 248 etot -8.9261E+01 mv 2 77 66 92 0 + 4 e 286 241 etot -8.8870E+01 mv 2 77 13 97 0 + 4 e 275 245 etot -8.3665E+01 mv 2 77 13 -85 0 + 4 e 348 238 etot -7.7948E+01 mv 2 77 197 124 0 + 4 e 332 240 etot -8.9187E+01 mv 2 77 197 -99 0 + 4 e 445 233 etot -7.3910E+01 mv 2 77 101 -196 0 + -1 e 1 274 etot 1.3528E+20 mv 2 77 142 88 0 + 4 e 130 261 etot -8.8574E+01 mv 2 77 59 -21 0 + 4 e 179 256 etot -8.9075E+01 mv 2 77 37 123 0 + 4 e 333 247 etot -7.4702E+01 mv 2 77 66 45 0 + 4 e 419 211 etot -8.1944E+01 mv 2 77 153 -104 0 + 4 e 287 253 etot -8.7863E+01 mv 2 77 125 55 0 + 4 e 116 266 etot -8.8215E+01 mv 2 77 150 -107 0 + 4 e 493 210 etot -7.7632E+01 mv 2 77 69 -166 0 + 4 e 189 260 etot -8.9075E+01 mv 2 77 37 -117 0 + 4 e 133 270 etot -8.8215E+01 mv 2 77 150 -61 0 + 4 e 412 229 etot -7.5680E+01 mv 2 77 33 -30 0 + 4 e 149 258 etot -8.9075E+01 mv 2 77 37 16 0 + -1 e 1 286 etot 1.3528E+20 mv 2 77 123 161 0 + -1 e 1 287 etot 1.3528E+20 mv 2 77 123 -47 0 + 4 e 208 254 etot -8.8843E+01 mv 2 77 125 135 0 + 4 e 239 259 etot -8.4793E+01 mv 2 77 37 -64 0 + 4 e 366 236 etot -7.2870E+01 mv 2 77 197 44 0 + 4 e 415 232 etot -8.0941E+01 mv 2 77 101 46 0 + 4 e 147 273 etot -8.8225E+01 mv 2 77 142 -8 0 + 4 e 303 257 etot -7.1206E+01 mv 2 77 37 -146 0 + 4 e 484 249 etot -7.3487E+01 mv 2 77 66 -163 0 + 4 e 187 265 etot -8.8574E+01 mv 2 77 59 196 0 + 4 e 136 280 etot -8.8116E+01 mv 2 77 4 -117 0 + 4 e 222 275 etot -7.7053E+01 mv 2 77 142 1 0 + 4 e 242 272 etot -8.8224E+01 mv 2 77 142 -190 0 + 4 e 204 278 etot -6.9855E+01 mv 2 77 4 -7 0 + 4 e 191 283 etot -8.7959E+01 mv 2 77 137 -91 0 + 4 e 304 271 etot -8.6017E+01 mv 2 77 142 -64 0 + -1 e 1 302 etot 1.3528E+20 mv 1 77 55 -74 0 + 4 e 217 281 etot -8.7959E+01 mv 2 77 137 -151 0 + 4 e 342 269 etot -8.4735E+01 mv 2 77 150 -184 0 f 186 280.4 0.0 + 4 e 356 267 etot -8.1325E+01 mv 2 77 150 124 0 + 4 e 674 237 etot -7.4033E+01 mv 2 77 197 -188 0 + 4 e 377 252 etot -8.4039E+01 mv 2 77 125 -182 0 + 4 e 344 276 etot -8.3158E+01 mv 2 77 4 -182 0 + 4 e 274 284 etot -8.4032E+01 mv 2 77 137 153 0 + 4 e 202 295 etot -8.7827E+01 mv 2 77 45 16 0 + 4 e 717 246 etot -9.0233E+01 mv 2 77 66 -11 0 + 4 e 518 262 etot -8.4524E+01 mv 2 77 59 129 0 + 4 e 214 297 etot -8.7926E+01 mv 2 77 50 32 0 + 4 e 275 293 etot -8.7827E+01 mv 2 77 45 19 0 + 4 e 220 299 etot -8.7926E+01 mv 2 77 50 42 0 + 4 e 422 255 etot -8.8842E+01 mv 2 77 125 155 0 + 4 e 338 290 etot -8.5599E+01 mv 2 77 123 -108 0 + 4 e 472 277 etot -7.2786E+01 mv 2 77 4 27 0 + 4 e 218 301 etot -8.7414E+01 mv 1 77 55 -97 0 + 4 e 318 282 etot -8.7958E+01 mv 2 77 137 176 0 + 4 e 257 304 etot -8.7414E+01 mv 1 77 55 -45 0 + -1 e 1 322 etot 1.3528E+20 mv 1 77 191 -118 0 + 4 e 183 309 etot -6.0632E+01 mv 1 77 69 -132 0 + 4 e 146 313 etot -7.4539E+01 mv 1 77 153 -144 0 + 4 e 367 300 etot -8.6558E+01 mv 2 77 50 178 0 + 4 e 398 279 etot -8.8012E+01 mv 2 77 4 179 0 + 4 e 249 310 etot -8.7450E+01 mv 1 77 69 -199 0 + 4 e 358 285 etot -7.8690E+01 mv 2 77 137 134 0 + 4 e 507 264 etot -7.2844E+01 mv 2 77 59 -160 0 + 4 e 356 289 etot -9.0799E+01 mv 2 77 123 85 0 + 4 e 356 306 etot -8.8083E+01 mv 1 77 69 -26 0 + 4 e 371 292 etot -8.7318E+01 mv 2 77 45 -156 0 + 4 e 259 315 etot -8.4737E+01 mv 1 77 153 -171 0 c 153 4.2 0.0 + 4 e 216 320 etot -8.2892E+01 mv 1 77 103 -111 0 + 4 e 428 307 etot -7.3464E+01 mv 1 77 69 -74 0 + 4 e 467 303 etot -7.9740E+01 mv 1 77 55 -86 0 + 4 e 589 294 etot -8.0707E+01 mv 2 77 45 160 0 + 4 e 298 316 etot -8.6774E+01 mv 1 77 103 87 0 + 4 e 436 291 etot -8.1318E+01 mv 2 77 45 -132 0 + 4 e 484 305 etot -8.7412E+01 mv 1 77 55 -4 0 + 4 e 374 311 etot -8.3724E+01 mv 1 77 153 -114 0 + 4 e 310 318 etot -7.3278E+01 mv 1 77 103 168 0 + 4 e 176 321 etot -9.0761E+01 mv 1 77 191 46 0 + 4 e 226 317 etot -8.5653E+01 mv 1 77 103 55 0 + 4 e 206 326 etot -9.0337E+01 mv 1 77 33 101 0 + 4 e 432 314 etot -8.3446E+01 mv 1 77 153 -158 0 + 4 e 434 312 etot -7.7272E+01 mv 1 77 153 -30 0 + 4 e 321 323 etot -9.0203E+01 mv 1 77 191 54 0 + 4 e 330 324 etot -9.0746E+01 mv 1 77 191 2 0 + 4 e 347 325 etot -9.0760E+01 mv 1 77 191 -68 0 + 4 e 689 298 etot -7.3510E+01 mv 2 77 50 -36 0 + 4 e 323 328 etot -7.5547E+01 mv 1 77 33 -105 0 + 4 e 467 319 etot -8.6726E+01 mv 1 77 103 93 0 + 4 e 711 268 etot -8.4950E+01 mv 2 77 150 119 0 + 4 e 608 288 etot -8.5603E+01 mv 2 77 123 -24 0 + 4 e 249 339 etot -7.8747E+01 mv 1 77 197 -97 0 + -1 e 1 357 etot 1.3528E+20 mv 1 77 37 -28 0 + 4 e 344 332 etot -8.9263E+01 mv 1 77 101 -153 0 + 4 e 237 341 etot -8.8167E+01 mv 1 77 13 46 0 + -1 e 1 360 etot 1.3528E+20 mv 1 77 37 177 0 + 4 e 571 296 etot -7.9470E+01 mv 2 77 50 -163 0 + 4 e 300 336 etot -8.9187E+01 mv 1 77 197 43 0 + 4 e 312 329 etot -9.0337E+01 mv 1 77 33 -135 0 + 4 e 515 308 etot -7.8915E+01 mv 1 77 69 -105 0 + 4 e 197 345 etot -8.8871E+01 mv 1 77 13 156 0 + 4 e 430 334 etot -8.7414E+01 mv 1 77 101 7 0 + 4 e 407 335 etot -8.7379E+01 mv 1 77 101 -10 0 + 4 e 336 331 etot -8.7938E+01 mv 1 77 101 -10 0 + 4 e 223 351 etot -8.8843E+01 mv 1 77 125 37 0 + 4 e 187 354 etot -8.8843E+01 mv 1 77 125 123 0 + 4 e 408 338 etot -8.9186E+01 mv 1 77 197 87 0 + 4 e 326 333 etot -8.6497E+01 mv 1 77 101 -152 0 + 4 e 287 350 etot -8.9261E+01 mv 1 77 66 -92 0 + -1 e 1 374 etot 1.3528E+20 mv 1 77 142 -138 0 + 4 e 235 353 etot -8.8843E+01 mv 1 77 125 93 0 + 4 e 400 342 etot -8.7850E+01 mv 1 77 13 166 0 + 4 e 290 344 etot -7.8111E+01 mv 1 77 13 -128 0 + 4 e 427 327 etot -7.7754E+01 mv 1 77 33 -35 0 + 4 e 368 349 etot -7.6226E+01 mv 1 77 66 -74 0 + 4 e 255 358 etot -7.9476E+01 mv 1 77 37 -12 0 + 4 e 126 365 etot -8.8574E+01 mv 1 77 59 -96 0 + 4 e 502 346 etot -8.9174E+01 mv 1 77 66 44 0 + 4 e 463 330 etot -7.6747E+01 mv 1 77 33 55 0 + 4 e 533 343 etot -8.8869E+01 mv 1 77 13 140 0 + 4 e 170 366 etot -8.8215E+01 mv 1 77 150 77 0 + 4 e 176 375 etot -8.8225E+01 mv 1 77 142 -42 0 + -1 e 1 386 etot 1.3528E+20 mv 1 77 123 187 0 + 4 e 357 361 etot -8.3760E+01 mv 1 77 59 181 0 + 4 e 230 370 etot -8.0468E+01 mv 1 77 150 -24 0 + 4 e 174 376 etot -8.8115E+01 mv 1 77 4 -9 0 + -1 e 1 390 etot 1.3528E+20 mv 1 77 123 196 0 + -1 e 1 392 etot 1.3528E+20 mv 1 77 45 -14 0 + 4 e 174 377 etot -8.8116E+01 mv 1 77 4 69 0 + 4 e 347 363 etot -8.8572E+01 mv 1 77 59 7 0 + 4 e 247 362 etot -8.6503E+01 mv 1 77 59 -191 0 + 4 e 468 352 etot -8.8842E+01 mv 1 77 125 177 0 + 4 e 581 347 etot -8.6476E+01 mv 1 77 66 -96 0 + 4 e 438 359 etot -6.7830E+01 mv 1 77 37 -49 0 + 4 e 184 373 etot -8.8224E+01 mv 1 77 142 160 0 + 4 e 697 337 etot -8.9184E+01 mv 1 77 197 -19 0 + 4 e 588 348 etot -8.3529E+01 mv 1 77 66 -47 0 + 4 e 184 381 etot -8.7959E+01 mv 1 77 137 -36 0 + 4 e 332 367 etot -8.0164E+01 mv 1 77 150 -138 0 + 4 e 321 368 etot -8.8215E+01 mv 1 77 150 -91 0 + 4 e 2 405 etot -9.0761E+01 mv 0 77 191 0 0 + 4 e 269 364 etot -7.9655E+01 mv 1 77 59 138 0 + 4 e 2 406 etot -9.0338E+01 mv 0 77 33 0 0 + 4 e 2 408 etot -8.9188E+01 mv 0 77 197 0 0 + 4 e 2 409 etot -8.8871E+01 mv 0 77 13 0 0 + 4 e 237 369 etot -7.6809E+01 mv 1 77 150 -188 0 + 4 e 2 410 etot -8.9261E+01 mv 0 77 66 0 0 + 4 e 2 412 etot -8.9075E+01 mv 0 77 37 0 0 + 4 e 332 355 etot -8.3658E+01 mv 1 77 125 -184 0 + 4 e 10 407 etot -9.0194E+01 mv 0 77 101 0 0 c 101 0.0 0.0 + 4 e 320 372 etot -7.5276E+01 mv 1 77 142 5 0 + 4 e 2 413 etot -8.8574E+01 mv 0 77 59 0 0 + 4 e 2 414 etot -8.8216E+01 mv 0 77 150 0 0 + 4 e 2 415 etot -8.8225E+01 mv 0 77 142 0 0 + 4 e 2 417 etot -8.7959E+01 mv 0 77 137 0 0 +## N0 total= 19 close= 8 far= 0 %acc 42.1 +## N1 total= 101 close= 1 far= 0 %acc 1.0 +## N2 total= 100 close= 0 far= 1 %acc 1.0 +## N3 total= 0 close= 0 far= 0 %acc 0.0 +## N4 total= 0 close= 0 far= 0 %acc 0.0 +## N5 total= 0 close= 0 far= 0 %acc 0.0 +## N6 total= 200 close= 5 far= 0 %acc 2.5 +## N7 total= 0 close= 0 far= 0 %acc 0.0 +## N8 total= 0 close= 0 far= 0 %acc 0.0 +## N9 total= 0 close= 0 far= 0 %acc 0.0 +##N10 total= 0 close= 0 far= 0 %acc 0.0 +##N11 total= 0 close= 0 far= 0 %acc 0.0 +##N12 total= 0 close= 0 far= 0 %acc 0.0 +##N13 total= 0 close= 0 far= 0 %acc 0.0 +##N14 total= 0 close= 0 far= 0 %acc 0.0 +##N15 total= 0 close= 0 far= 0 %acc 0.0 +##N16 total= 0 close= 0 far= 0 %acc 0.0 +##N17 total= 0 close= 0 far= 0 %acc 0.0 +##N18 total= 0 close= 0 far= 0 %acc 0.0 + Time for refresh 78 0.31 + make_var : nseed= 20 ntry= 420 + Time for make trial 79 0.10 +Nonsetup time 164.36 sec, Eval/s = 58677.87 +Time for iter 79 1.85 sec, Eval/s = 63882.80 + UPDATING 420 + 4 e 264 397 etot 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etot -9.0153E+01 mv 1 78 106 128 0 + 4 e 372 306 etot -8.6830E+01 mv 1 78 130 -119 0 + 4 e 352 309 etot -8.6011E+01 mv 1 78 130 -17 0 + 4 e 254 320 etot -8.5539E+01 mv 1 78 194 -75 0 c 194 15.8 0.1 + 4 e 212 339 etot -9.0337E+01 mv 1 78 33 196 0 + 4 e 229 327 etot -9.0850E+01 mv 1 78 35 -142 0 + 4 e 154 340 etot -9.0337E+01 mv 1 78 33 -38 0 + 4 e 562 313 etot -8.2240E+01 mv 1 78 186 -20 0 + 4 e 247 338 etot -9.0337E+01 mv 1 78 33 40 0 + 4 e 400 328 etot -9.0849E+01 mv 1 78 35 86 0 + 4 e 202 349 etot -8.1064E+01 mv 1 78 197 134 0 + 4 e 382 331 etot -8.7607E+01 mv 1 78 106 4 0 + 4 e 280 345 etot -8.9158E+01 mv 1 78 66 90 0 + 4 e 369 336 etot -8.9845E+01 mv 1 78 33 176 0 + 4 e 302 332 etot -8.9742E+01 mv 1 78 106 -3 0 + 4 e 459 335 etot -8.9176E+01 mv 1 78 106 -156 0 + 4 e 250 353 etot -6.9773E+01 mv 1 78 13 -176 0 + 4 e 375 346 etot -8.7005E+01 mv 1 78 197 104 0 + 4 e 336 348 etot -8.7004E+01 mv 1 78 197 -167 0 + 4 e 444 342 etot -8.9174E+01 mv 1 78 66 52 0 + 4 e 316 351 etot -8.8870E+01 mv 1 78 13 -117 0 + 4 e 395 347 etot -8.7004E+01 mv 1 78 197 7 0 + 4 e 660 295 etot -7.8988E+01 mv 2 78 4 90 0 + 4 e 200 355 etot -8.8871E+01 mv 1 78 13 -108 0 + 4 e 402 326 etot -8.5957E+01 mv 1 78 35 -16 0 + 4 e 216 354 etot -8.8871E+01 mv 1 78 13 126 0 + 4 e 255 361 etot -8.9247E+01 mv 1 78 42 29 0 + 4 e 156 366 etot -8.7263E+01 mv 1 78 59 -61 0 + 4 e 465 324 etot -8.1352E+01 mv 1 78 191 48 0 + 4 e 613 334 etot -8.1277E+01 mv 1 78 106 -120 0 + 4 e 217 365 etot -8.9248E+01 mv 1 78 42 -200 0 + 4 e 509 344 etot -9.0282E+01 mv 1 78 66 38 0 + 4 e 444 350 etot -8.9186E+01 mv 1 78 197 56 0 + 4 e 453 329 etot -9.0848E+01 mv 1 78 35 87 0 + 4 e 328 360 etot -7.5556E+01 mv 1 78 79 -169 0 + 4 e 275 363 etot -7.6894E+01 mv 1 78 42 -186 0 + 4 e 257 364 etot -8.9248E+01 mv 1 78 42 9 0 + 4 e 268 359 etot -6.9386E+01 mv 1 78 79 113 0 + 4 e 403 357 etot -8.6703E+01 mv 1 78 79 -32 0 + 4 e 430 343 etot -8.9259E+01 mv 1 78 66 -56 0 + -1 e 1 392 etot 1.3528E+20 mv 1 78 4 -140 0 + 4 e 238 370 etot -8.8574E+01 mv 1 78 59 -90 0 + -1 e 1 394 etot 1.3528E+20 mv 1 78 4 170 0 + 4 e 320 358 etot -7.9668E+01 mv 1 78 79 -188 0 + 4 e 230 374 etot -8.8483E+01 mv 1 78 158 47 0 + 4 e 544 352 etot -8.8629E+01 mv 1 78 13 47 0 + 4 e 431 362 etot -8.3442E+01 mv 1 78 42 23 0 + 4 e 353 356 etot -8.6702E+01 mv 1 78 79 118 0 + 4 e 167 388 etot -8.8147E+01 mv 1 78 74 -103 0 + 4 e 187 385 etot -8.8173E+01 mv 1 78 117 -6 0 + 4 e 184 384 etot -8.8172E+01 mv 1 78 117 170 0 + 4 e 170 378 etot -8.8240E+01 mv 1 78 122 173 0 + 4 e 274 367 etot -8.8154E+01 mv 1 78 59 -122 0 + 4 e 2 405 etot -9.0761E+01 mv 0 78 191 0 0 + 4 e 2 406 etot -9.0850E+01 mv 0 78 35 0 0 + 4 e 19 404 etot -8.5479E+01 mv 0 78 194 0 0 + 4 e 2 408 etot -9.0338E+01 mv 0 78 33 0 0 + 4 e 2 409 etot -8.9261E+01 mv 0 78 66 0 0 + 4 e 2 410 etot -8.9188E+01 mv 0 78 197 0 0 + 4 e 2 411 etot -8.8871E+01 mv 0 78 13 0 0 + 4 e 248 383 etot -8.8173E+01 mv 1 78 117 -168 0 + 4 e 167 391 etot -8.8116E+01 mv 1 78 4 98 0 + 4 e 2 413 etot -8.9248E+01 mv 0 78 42 0 0 + 4 e 2 414 etot -8.8574E+01 mv 0 78 59 0 0 + 4 e 2 415 etot -8.8483E+01 mv 0 78 158 0 0 + 4 e 10 417 etot -8.8173E+01 mv 0 78 117 0 0 + 4 e 2 418 etot -8.8147E+01 mv 0 78 74 0 0 + 4 e 10 419 etot -8.8116E+01 mv 0 78 4 0 0 c 4 0.0 0.0 +## N0 total= 22 close= 9 far= 0 %acc 40.9 +## N1 total= 98 close= 1 far= 0 %acc 1.0 +## N2 total= 100 close= 1 far= 1 %acc 2.0 +## N3 total= 0 close= 0 far= 0 %acc 0.0 +## N4 total= 0 close= 0 far= 0 %acc 0.0 +## N5 total= 0 close= 0 far= 0 %acc 0.0 +## N6 total= 200 close= 6 far= 2 %acc 4.0 +## N7 total= 0 close= 0 far= 0 %acc 0.0 +## N8 total= 0 close= 0 far= 0 %acc 0.0 +## N9 total= 0 close= 0 far= 0 %acc 0.0 +##N10 total= 0 close= 0 far= 0 %acc 0.0 +##N11 total= 0 close= 0 far= 0 %acc 0.0 +##N12 total= 0 close= 0 far= 0 %acc 0.0 +##N13 total= 0 close= 0 far= 0 %acc 0.0 +##N14 total= 0 close= 0 far= 0 %acc 0.0 +##N15 total= 0 close= 0 far= 0 %acc 0.0 +##N16 total= 0 close= 0 far= 0 %acc 0.0 +##N17 total= 0 close= 0 far= 0 %acc 0.0 +##N18 total= 0 close= 0 far= 0 %acc 0.0 + Time for refresh 79 0.45 + make_var : nseed= 20 ntry= 420 + Time for make trial 80 0.05 +Nonsetup time 166.37 sec, Eval/s = 58704.72 +Time for iter 80 2.02 sec, Eval/s = 60894.26 + UPDATING 420 + 4 e 2 420 etot -8.7959E+01 mv 0 78 137 0 0 + 4 e 577 371 etot -8.8482E+01 mv 1 78 158 166 0 + 4 e 545 387 etot -8.6242E+01 mv 1 78 74 51 0 + 4 e 157 401 etot -8.8235E+01 mv 0 78 7 0 0 c 7 2.1 0.0 + 4 e 498 379 etot -6.3120E+01 mv 1 78 122 -186 0 + 4 e 211 398 etot -8.7959E+01 mv 1 78 137 -115 0 + 4 e 486 382 etot -8.6543E+01 mv 1 78 117 89 0 + 4 e 393 372 etot -8.6189E+01 mv 1 78 158 -44 0 + 4 e 253 399 etot -7.2974E+01 mv 1 78 137 26 0 + 4 e 388 389 etot -8.3059E+01 mv 1 78 74 3 0 + 4 e 362 373 etot -8.0979E+01 mv 1 78 158 -117 0 + 4 e 156 395 etot -8.8116E+01 mv 1 78 4 -3 0 + 4 e 493 369 etot -8.8572E+01 mv 1 78 59 -169 0 + 4 e 558 380 etot -7.7586E+01 mv 1 78 122 -178 0 + 4 e 448 368 etot -7.9447E+01 mv 1 78 59 158 0 + 4 e 248 397 etot -7.3376E+01 mv 1 78 137 92 0 + 4 e 38 416 etot -8.8240E+01 mv 0 78 122 0 0 c 122 0.1 0.0 + 4 e 107 402 etot -8.7208E+01 mv 0 78 130 0 0 c 130 1.3 0.0 + 4 e 108 403 etot -8.4737E+01 mv 0 78 186 0 0 + 4 e 206 381 etot -8.7572E+01 mv 1 78 117 26 0 + 4 e 23 412 etot -8.8814E+01 mv 0 78 79 0 0 c 79 0.0 0.0 + -1 e 1 14 etot 1.3528E+20 mv 6 79 153 94 0 + 4 e 43 407 etot -9.0153E+01 mv 0 78 106 0 0 c 106 0.1 0.0 + 4 e 242 400 etot -8.7959E+01 mv 1 78 137 50 0 + 4 e 229 386 etot -8.8147E+01 mv 1 78 74 95 0 + 4 e 271 376 etot -8.6968E+01 mv 1 78 122 -61 0 + 4 e 247 375 etot -8.8483E+01 mv 1 78 158 176 0 + 4 e 297 377 etot -8.7939E+01 mv 1 78 122 -20 0 + 4 e 495 390 etot -8.3472E+01 mv 1 78 74 11 0 + 4 e 303 393 etot -8.9262E+01 mv 1 78 4 139 0 + 4 e 162 396 etot -8.7959E+01 mv 1 78 137 -23 0 + 4 e 578 337 etot -7.0959E+01 mv 1 78 33 -140 0 + -1 e 1 27 etot 1.3528E+20 mv 6 79 171 186 0 + -1 e 1 32 etot 1.3528E+20 mv 6 79 186 167 0 + 4 e 53 6 etot -8.6465E+01 mv 6 79 117 29 0 c 29 0.3 0.0 + 4 e 143 22 etot -6.7744E+01 mv 6 79 171 118 0 + 4 e 147 5 etot -7.0053E+01 mv 6 79 117 161 0 + 4 e 165 13 etot -7.7909E+01 mv 6 79 153 162 0 + 4 e 159 33 etot -8.7693E+01 mv 6 79 186 77 0 + 4 e 175 9 etot -8.8197E+01 mv 6 79 117 6 0 c 117 2.0 0.0 + 4 e 188 1 etot -8.5953E+01 mv 6 79 117 146 0 + 4 e 204 19 etot -8.1212E+01 mv 6 79 153 138 0 + 4 e 214 2 etot -8.8197E+01 mv 6 79 117 177 0 c 117 0.8 0.0 + 4 e 213 20 etot -8.2445E+01 mv 6 79 153 50 0 + 4 e 235 15 etot -7.5568E+01 mv 6 79 153 52 0 + 4 e 239 4 etot -7.3726E+01 mv 6 79 117 49 0 + 4 e 244 34 etot -8.5179E+01 mv 6 79 186 73 0 c 186 2.4 0.0 + 4 e 258 12 etot -7.7117E+01 mv 6 79 153 93 0 + 4 e 122 36 etot -6.9788E+01 mv 6 79 186 183 0 + 4 e 251 29 etot -8.4804E+01 mv 6 79 171 118 0 + 4 e 294 8 etot -8.6812E+01 mv 6 79 117 175 0 + 4 e 298 11 etot -8.3268E+01 mv 6 79 153 170 0 + 4 e 300 17 etot -7.9088E+01 mv 6 79 153 91 0 + 4 e 357 3 etot -8.8172E+01 mv 6 79 117 125 0 + 4 e 10 54 etot -8.8364E+01 mv 6 79 67 126 0 c 126 0.0 0.0 + -1 e 1 55 etot 1.3528E+20 mv 6 79 67 19 0 + 4 e 213 41 etot -8.5531E+01 mv 6 79 194 163 0 + 4 e 329 26 etot -7.4749E+01 mv 6 79 171 152 0 + -1 e 1 58 etot 1.3528E+20 mv 6 79 67 133 0 + 4 e 357 25 etot -8.3231E+01 mv 6 79 171 95 0 + -1 e 1 60 etot 1.3528E+20 mv 6 79 67 162 0 + 4 e 351 28 etot -8.4118E+01 mv 6 79 171 72 0 + 4 e 366 7 etot -9.1814E+01 mv 6 79 117 55 0 + 4 e 359 10 etot -7.9497E+01 mv 6 79 117 8 0 + 4 e 322 31 etot -8.5178E+01 mv 6 79 186 87 0 + 4 e 172 44 etot -6.4648E+01 mv 6 79 194 110 0 + 4 e 185 56 etot -8.7756E+01 mv 6 79 67 139 0 + 4 e 240 21 etot -8.7419E+01 mv 6 79 171 138 0 + 4 e 523 16 etot -8.8771E+01 mv 6 79 153 79 0 + 4 e 211 51 etot -7.3476E+01 mv 6 79 67 1 0 + 4 e 271 23 etot -8.3056E+01 mv 6 79 171 91 0 + -1 e 1 70 etot 8.8161E+25 mv 6 79 35 200 0 + -1 e 1 71 etot 1.3528E+20 mv 6 79 191 97 0 + 4 e 247 48 etot -8.3588E+01 mv 6 79 194 123 0 + 4 e 488 35 etot -8.5187E+01 mv 6 79 186 70 0 + 4 e 179 61 etot -8.5327E+01 mv 6 79 35 63 0 + 4 e 477 37 etot -8.4652E+01 mv 6 79 186 188 0 + 4 e 383 39 etot -8.4736E+01 mv 6 79 186 158 0 + 4 e 295 49 etot -8.2398E+01 mv 6 79 194 78 0 + 4 e 218 59 etot -8.6730E+01 mv 6 79 67 143 0 + 4 e 302 50 etot -8.6857E+01 mv 6 79 194 44 0 + -1 e 1 81 etot 1.3528E+20 mv 6 79 33 138 0 + 4 e 401 40 etot -8.3049E+01 mv 6 79 186 88 0 + 4 e 372 45 etot -8.5479E+01 mv 6 79 194 62 0 + 4 e 142 69 etot -9.0850E+01 mv 6 79 35 82 0 + 4 e 383 57 etot -7.6292E+01 mv 6 79 67 70 0 + 4 e 463 38 etot -7.5712E+01 mv 6 79 186 172 0 + 4 e 436 30 etot -8.1834E+01 mv 6 79 171 28 0 + 4 e 708 18 etot -8.1191E+01 mv 6 79 153 155 0 + 4 e 632 43 etot -8.3369E+01 mv 6 79 194 198 0 + 4 e 424 53 etot -8.1853E+01 mv 6 79 67 110 0 + 4 e 387 63 etot -8.7267E+01 mv 6 79 35 195 0 + 4 e 180 75 etot -7.3624E+01 mv 6 79 191 167 0 + 4 e 536 42 etot -8.4992E+01 mv 6 79 194 117 0 f 121 297.5 0.2 + 4 e 326 67 etot -8.6238E+01 mv 6 79 35 81 0 + 4 e 219 74 etot -7.8769E+01 mv 6 79 191 69 0 + 4 e 601 46 etot -8.5155E+01 mv 6 79 194 150 0 c 121 177.6 0.2 + 4 e 347 64 etot -9.0848E+01 mv 6 79 35 82 0 + 4 e 253 77 etot -8.8918E+01 mv 6 79 191 88 0 + 4 e 241 72 etot -8.8979E+01 mv 6 79 191 100 0 + 4 e 658 24 etot -8.7806E+01 mv 6 79 171 193 0 c 18 227.4 0.6 + 4 e 466 47 etot -8.4856E+01 mv 6 79 194 135 0 + 4 e 132 68 etot -8.6812E+01 mv 6 79 35 34 0 + 4 e 471 52 etot -8.3224E+01 mv 6 79 67 129 0 + 4 e 230 86 etot -8.8235E+01 mv 6 79 33 175 0 + -1 e 1 105 etot 1.3528E+20 mv 6 79 15 198 0 + 4 e 39 101 etot -8.7381E+01 mv 6 79 15 20 0 c 20 0.0 0.0 + 4 e 246 85 etot -9.0337E+01 mv 6 79 33 116 0 + 4 e 295 79 etot -9.0761E+01 mv 6 79 191 11 0 + 4 e 282 89 etot -8.1388E+01 mv 6 79 33 167 0 + 4 e 235 92 etot -8.8240E+01 mv 6 79 101 140 0 + -1 e 1 110 etot 1.3528E+20 mv 6 79 15 47 0 + -1 e 1 111 etot 1.3528E+20 mv 6 79 37 76 0 + 4 e 265 91 etot -7.4644E+01 mv 6 79 101 44 0 + 4 e 226 82 etot -9.0080E+01 mv 6 79 33 82 0 + 4 e 266 78 etot -8.4771E+01 mv 6 79 191 121 0 + 4 e 92 108 etot -8.5485E+01 mv 6 79 15 162 0 c 162 0.4 0.0 + 4 e 265 80 etot -8.6389E+01 mv 6 79 191 10 0 + 4 e 304 90 etot -9.0337E+01 mv 6 79 33 195 0 + 4 e 315 94 etot -8.8944E+01 mv 6 79 101 89 0 + 4 e 383 83 etot -9.2489E+01 mv 6 79 33 42 0 + 4 e 444 84 etot -7.7454E+01 mv 6 79 33 167 0 + 4 e 353 93 etot -7.6953E+01 mv 6 79 101 189 0 + 4 e 252 65 etot -7.1046E+01 mv 6 79 35 76 0 + 4 e 433 87 etot -7.9589E+01 mv 6 79 33 30 0 + 4 e 331 96 etot -9.0193E+01 mv 6 79 101 19 0 + -1 e 1 126 etot 1.3528E+20 mv 6 79 145 119 0 + 4 e 550 62 etot -8.7083E+01 mv 6 79 35 185 0 + 4 e 323 100 etot -9.0008E+01 mv 6 79 101 158 0 + 4 e 268 106 etot -8.9526E+01 mv 6 79 15 130 0 + 4 e 353 98 etot -8.9833E+01 mv 6 79 101 39 0 + 4 e 388 97 etot -9.0234E+01 mv 6 79 101 73 0 + 4 e 225 113 etot -8.8096E+01 mv 6 79 37 175 0 + 4 e 376 104 etot -8.4679E+01 mv 6 79 15 47 0 + 4 e 347 109 etot -9.1814E+01 mv 6 79 15 17 0 + 4 e 212 121 etot -7.3200E+01 mv 6 79 145 103 0 + 4 e 529 95 etot -8.9083E+01 mv 6 79 101 132 0 + 4 e 495 76 etot -8.4023E+01 mv 6 79 191 158 0 + 4 e 119 132 etot -8.6743E+01 mv 6 79 59 78 0 + 4 e 222 118 etot -7.1290E+01 mv 6 79 37 59 0 + 4 e 364 114 etot -8.1655E+01 mv 6 79 37 25 0 + 4 e 242 123 etot -8.9671E+01 mv 6 79 145 45 0 + 4 e 350 117 etot -8.9074E+01 mv 6 79 37 168 0 + 4 e 34 138 etot -8.4926E+01 mv 6 79 59 190 0 c 190 0.1 0.0 + -1 e 1 144 etot 1.3528E+20 mv 6 79 23 198 0 + 4 e 251 125 etot -8.5032E+01 mv 6 79 145 38 0 + 4 e 266 127 etot -8.9565E+01 mv 6 79 145 43 0 + 4 e 130 135 etot -7.7732E+01 mv 6 79 59 149 0 + 4 e 40 143 etot -8.6144E+01 mv 6 79 23 49 0 c 49 0.1 0.0 + 4 e 259 115 etot -8.4672E+01 mv 6 79 37 133 0 + 4 e 640 66 etot -8.6024E+01 mv 6 79 35 186 0 + -1 e 1 151 etot 1.3528E+20 mv 6 79 158 33 0 + 4 e 369 120 etot -7.3865E+01 mv 6 79 37 178 0 + -1 e 1 153 etot 1.3528E+20 mv 6 79 158 179 0 + 4 e 606 99 etot -9.0193E+01 mv 6 79 101 41 0 + 4 e 356 122 etot -8.7224E+01 mv 6 79 145 129 0 + 4 e 249 133 etot -8.5457E+01 mv 6 79 59 196 0 c 196 6.9 0.0 + 4 e 498 112 etot -7.7578E+01 mv 6 79 37 190 0 + 4 e 158 149 etot -8.2582E+01 mv 6 79 23 9 0 + 4 e 344 73 etot -8.2428E+01 mv 6 79 191 70 0 + 4 e 281 136 etot -8.7634E+01 mv 6 79 59 142 0 + 4 e 228 139 etot -8.8573E+01 mv 6 79 59 13 0 + 4 e 208 146 etot -7.1350E+01 mv 6 79 23 60 0 + 4 e 420 129 etot -7.2493E+01 mv 6 79 145 134 0 + 4 e 442 107 etot -8.0683E+01 mv 6 79 15 186 0 + 8 e 46 163 etot -6.3990E+01 mv 6 79 98 91 0 + 4 e 329 137 etot -8.5061E+01 mv 6 79 59 129 0 + 4 e 439 131 etot -8.7796E+01 mv 6 79 59 39 0 + 4 e 611 119 etot -8.6796E+01 mv 6 79 37 134 0 + 4 e 307 103 etot -9.0900E+01 mv 6 79 15 70 0 + 4 e 149 152 etot -8.5227E+01 mv 6 79 158 192 0 + 4 e 323 88 etot -8.3172E+01 mv 6 79 33 29 0 + 4 e 412 134 etot -8.8572E+01 mv 6 79 59 199 0 + 4 e 12 173 etot -8.5445E+01 mv 6 79 4 141 0 c 141 0.0 0.0 + 4 e 327 141 etot -8.6265E+01 mv 6 79 23 73 0 + 4 e 509 102 etot -8.2600E+01 mv 6 79 15 141 0 + 4 e 380 128 etot -8.7296E+01 mv 6 79 145 163 0 + 4 e 180 161 etot -5.7199E+01 mv 6 79 98 154 0 + 4 e 541 130 etot -8.3789E+01 mv 6 79 145 127 0 + 4 e 277 155 etot -8.8350E+01 mv 6 79 158 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-8.0028E+01 mv 1 79 37 59 0 + 4 e 292 382 etot -8.3063E+01 mv 1 79 98 23 0 + 4 e 2 407 etot -9.0850E+01 mv 0 79 35 0 0 + 4 e 2 408 etot -9.0761E+01 mv 0 79 191 0 0 + 4 e 2 409 etot -9.0338E+01 mv 0 79 33 0 0 + 4 e 2 410 etot -9.0194E+01 mv 0 79 101 0 0 + 4 e 530 341 etot -9.1035E+01 mv 1 79 33 -4 0 + 4 e 18 406 etot -8.6731E+01 mv 0 79 67 0 0 c 67 0.0 0.0 + 4 e 2 412 etot -8.9075E+01 mv 0 79 37 0 0 + 4 e 363 369 etot -8.7119E+01 mv 1 79 59 24 0 + 4 e 376 379 etot -8.4638E+01 mv 1 79 158 -47 0 + 4 e 2 414 etot -8.8574E+01 mv 0 79 59 0 0 + 4 e 2 416 etot -8.8483E+01 mv 0 79 158 0 0 + 4 e 18 411 etot -8.9527E+01 mv 0 79 15 0 0 c 15 0.0 0.0 + 4 e 11 415 etot -8.8538E+01 mv 0 79 23 0 0 c 23 0.0 0.0 +## N0 total= 17 close= 8 far= 0 %acc 47.1 +## N1 total= 103 close= 3 far= 0 %acc 2.9 +## N2 total= 100 close= 2 far= 0 %acc 2.0 +## N3 total= 0 close= 0 far= 0 %acc 0.0 +## N4 total= 0 close= 0 far= 0 %acc 0.0 +## N5 total= 0 close= 0 far= 0 %acc 0.0 +## N6 total= 200 close= 16 far= 1 %acc 8.5 +## N7 total= 0 close= 0 far= 0 %acc 0.0 +## N8 total= 0 close= 0 far= 0 %acc 0.0 +## N9 total= 0 close= 0 far= 0 %acc 0.0 +##N10 total= 0 close= 0 far= 0 %acc 0.0 +##N11 total= 0 close= 0 far= 0 %acc 0.0 +##N12 total= 0 close= 0 far= 0 %acc 0.0 +##N13 total= 0 close= 0 far= 0 %acc 0.0 +##N14 total= 0 close= 0 far= 0 %acc 0.0 +##N15 total= 0 close= 0 far= 0 %acc 0.0 +##N16 total= 0 close= 0 far= 0 %acc 0.0 +##N17 total= 0 close= 0 far= 0 %acc 0.0 +##N18 total= 0 close= 0 far= 0 %acc 0.0 + Time for refresh 80 0.55 + make_var : nseed= 20 ntry= 420 + Time for make trial 81 0.16 +Nonsetup time 168.68 sec, Eval/s = 58643.95 +Time for iter 81 2.31 sec, Eval/s = 54264.20 + UPDATING 420 + 4 e 11 419 etot -8.8104E+01 mv 0 79 61 0 0 c 61 0.0 0.0 + 4 e 268 400 etot -8.7890E+01 mv 1 79 176 -6 0 + 4 e 270 390 etot -8.8115E+01 mv 1 79 4 53 0 + 4 e 632 373 etot -8.8536E+01 mv 1 79 23 -152 0 + 4 e 19 413 etot -8.9671E+01 mv 0 79 145 0 0 c 145 0.0 0.0 + 4 e 323 383 etot -8.8108E+01 mv 1 79 98 23 0 + 4 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-182 0 + 4 e 447 363 etot -8.6722E+01 mv 1 80 122 -181 0 + 4 e 285 367 etot -6.5098E+01 mv 1 80 7 14 0 + 4 e 491 358 etot -7.8272E+01 mv 1 80 59 140 0 + 4 e 345 364 etot -7.0105E+01 mv 1 80 122 147 0 + 4 e 527 359 etot -8.3433E+01 mv 1 80 59 -34 0 + 4 e 170 384 etot -7.9502E+01 mv 1 80 142 1 0 + 4 e 158 390 etot -8.8116E+01 mv 1 80 4 9 0 + 4 e 138 393 etot -8.7901E+01 mv 1 80 139 123 0 + 4 e 2 407 etot -9.0761E+01 mv 0 80 191 0 0 + 4 e 170 391 etot -8.7900E+01 mv 1 80 139 42 0 + 4 e 13 406 etot -8.5942E+01 mv 0 80 146 0 0 c 146 0.0 0.0 + 4 e 2 409 etot -8.9075E+01 mv 0 80 37 0 0 + 4 e 2 410 etot -8.8871E+01 mv 0 80 13 0 0 + 4 e 226 386 etot -8.8115E+01 mv 1 80 4 139 0 + 4 e 2 411 etot -9.0235E+01 mv 0 80 6 0 0 + 4 e 2 412 etot -8.8574E+01 mv 0 80 59 0 0 + 4 e 86 402 etot -9.1488E+01 mv 0 80 27 0 0 c 27 1.1 0.0 + 4 e 11 416 etot -8.8844E+01 mv 0 80 125 0 0 c 125 0.0 0.0 + 4 e 2 417 etot -8.8225E+01 mv 0 80 142 0 0 + 4 e 20 415 etot -8.8216E+01 mv 0 80 150 0 0 c 150 0.0 0.0 + 4 e 25 413 etot -8.8240E+01 mv 0 80 122 0 0 c 122 0.0 0.0 +## N0 total= 21 close= 14 far= 0 %acc 66.7 +## N1 total= 99 close= 0 far= 0 %acc 0.0 +## N2 total= 100 close= 3 far= 0 %acc 3.0 +## N3 total= 0 close= 0 far= 0 %acc 0.0 +## N4 total= 0 close= 0 far= 0 %acc 0.0 +## N5 total= 0 close= 0 far= 0 %acc 0.0 +## N6 total= 200 close= 11 far= 1 %acc 6.0 +## N7 total= 0 close= 0 far= 0 %acc 0.0 +## N8 total= 0 close= 0 far= 0 %acc 0.0 +## N9 total= 0 close= 0 far= 0 %acc 0.0 +##N10 total= 0 close= 0 far= 0 %acc 0.0 +##N11 total= 0 close= 0 far= 0 %acc 0.0 +##N12 total= 0 close= 0 far= 0 %acc 0.0 +##N13 total= 0 close= 0 far= 0 %acc 0.0 +##N14 total= 0 close= 0 far= 0 %acc 0.0 +##N15 total= 0 close= 0 far= 0 %acc 0.0 +##N16 total= 0 close= 0 far= 0 %acc 0.0 +##N17 total= 0 close= 0 far= 0 %acc 0.0 +##N18 total= 0 close= 0 far= 0 %acc 0.0 + Time for refresh 81 0.58 + make_var : nseed= 20 ntry= 420 + Time for make trial 82 0.12 +Nonsetup time 171.09 sec, Eval/s = 58520.94 +Time for iter 82 2.41 sec, Eval/s = 49912.12 + UPDATING 420 + 4 e 133 404 etot -8.5156E+01 mv 0 80 121 0 0 c 121 0.9 0.0 + 4 e 455 375 etot -8.6123E+01 mv 1 80 150 53 0 + 4 e 196 400 etot -8.7814E+01 mv 1 80 91 -163 0 + 4 e 406 392 etot -7.8796E+01 mv 1 80 139 101 0 + 4 e 505 381 etot -8.8223E+01 mv 1 80 142 -24 0 + 4 e 617 370 etot -7.9801E+01 mv 1 80 7 179 0 + 4 e 2 420 etot -8.7814E+01 mv 0 80 91 0 0 + 4 e 719 387 etot -7.8078E+01 mv 1 80 4 -172 0 + 4 e 674 366 etot -7.9933E+01 mv 1 80 7 115 0 + 4 e 387 383 etot -7.3219E+01 mv 1 80 142 122 0 + 4 e 28 414 etot -8.8235E+01 mv 0 80 7 0 0 c 7 0.1 0.0 + 4 e 570 374 etot -7.1193E+01 mv 1 80 150 -77 0 + 4 e 223 394 etot -8.5817E+01 mv 1 80 139 -178 0 + 4 e 256 396 etot -8.7813E+01 mv 1 80 91 191 0 + 4 e 52 408 etot -8.9446E+01 mv 0 80 65 0 0 c 65 0.6 0.0 + 4 e 10 418 etot -8.8116E+01 mv 0 80 4 0 0 + 4 e 10 419 etot -8.7901E+01 mv 0 80 139 0 0 c 139 0.0 0.0 + 4 e 250 398 etot -8.6457E+01 mv 1 80 91 -114 0 + 4 e 381 385 etot -8.8223E+01 mv 1 80 142 152 0 + 4 e 346 399 etot -7.9434E+01 mv 1 80 91 -146 0 + 4 e 117 405 etot -8.6355E+01 mv 0 80 171 0 0 c 171 0.8 0.0 + 4 e 129 401 etot -8.7807E+01 mv 0 80 18 0 0 + 4 e 304 397 etot -8.7410E+01 mv 1 80 91 -150 0 + 4 e 500 365 etot -7.8010E+01 mv 1 80 122 173 0 + 4 e 92 403 etot -8.6443E+01 mv 0 80 86 0 0 + 4 e 163 388 etot -6.9062E+01 mv 1 80 4 -135 0 + 4 e 237 382 etot -8.7778E+01 mv 1 80 142 200 0 + 4 e 395 377 etot -7.3781E+01 mv 1 80 125 -121 0 + 4 e 238 389 etot -8.8115E+01 mv 1 80 4 -95 0 + 4 e 249 379 etot -8.8843E+01 mv 1 80 125 -17 0 + 4 e 234 395 etot -8.7900E+01 mv 1 80 139 -38 0 + -1 e 1 20 etot 1.3528E+20 mv 6 81 86 126 0 + 4 e 14 19 etot -8.7493E+01 mv 6 81 86 62 0 c 62 0.0 0.0 + -1 e 1 9 etot 1.3528E+20 mv 6 81 18 80 0 + 4 e 123 12 etot -6.3865E+01 mv 6 81 86 109 0 + 4 e 188 26 etot -8.7229E+01 mv 6 81 128 42 0 + 4 e 220 31 etot -9.2490E+01 mv 6 81 17 114 0 + 4 e 300 1 etot -6.7661E+01 mv 6 81 18 173 0 + 4 e 278 6 etot -8.8684E+01 mv 6 81 18 106 0 + 4 e 286 16 etot -7.4774E+01 mv 6 81 86 153 0 + 4 e 286 5 etot -8.3401E+01 mv 6 81 18 32 0 + 4 e 285 15 etot -8.4956E+01 mv 6 81 86 146 0 + -1 e 1 42 etot 1.3528E+20 mv 6 81 191 152 0 + 4 e 180 35 etot -9.0745E+01 mv 6 81 17 180 0 + 4 e 310 3 etot -8.8953E+01 mv 6 81 18 73 0 c 18 69.8 0.9 + 4 e 311 25 etot -8.5685E+01 mv 6 81 128 36 0 c 128 70.1 0.0 + 4 e 321 4 etot -8.4745E+01 mv 6 81 18 125 0 + -1 e 1 47 etot 1.3528E+20 mv 6 81 191 50 0 + 4 e 363 2 etot -8.2649E+01 mv 6 81 18 126 0 + 4 e 297 28 etot -8.1269E+01 mv 6 81 128 65 0 + 4 e 326 10 etot -8.7773E+01 mv 6 81 18 124 0 + 4 e 314 34 etot -9.1255E+01 mv 6 81 17 66 0 + 4 e 359 18 etot -7.9809E+01 mv 6 81 86 118 0 + 4 e 392 33 etot -8.2757E+01 mv 6 81 17 60 0 + 4 e 398 11 etot -7.9738E+01 mv 6 81 86 35 0 + 4 e 486 8 etot -8.2584E+01 mv 6 81 18 113 0 + 4 e 463 24 etot -7.8218E+01 mv 6 81 128 117 0 + 4 e 135 52 etot -8.8740E+01 mv 6 81 197 136 0 + -1 e 1 58 etot 1.3528E+20 mv 6 81 197 59 0 + 4 e 455 13 etot -7.5204E+01 mv 6 81 86 104 0 + 4 e 438 14 etot -7.4913E+01 mv 6 81 86 192 0 + 4 e 307 36 etot -8.2151E+01 mv 6 81 17 98 0 + 4 e 358 30 etot -8.6612E+01 mv 6 81 128 24 0 + 4 e 259 49 etot -9.0761E+01 mv 6 81 191 54 0 + 4 e 358 29 etot -8.6719E+01 mv 6 81 128 67 0 + 4 e 499 17 etot -8.5669E+01 mv 6 81 86 176 0 + -1 e 1 65 etot 1.3528E+20 mv 6 81 37 156 0 + 4 e 527 27 etot -6.9773E+01 mv 6 81 128 103 0 + 4 e 267 21 etot -8.6048E+01 mv 6 81 128 12 0 c 128 31.8 0.4 + 4 e 347 45 etot -8.9624E+01 mv 6 81 191 179 0 + -1 e 1 69 etot 1.6185E+20 mv 6 81 37 141 0 + -1 e 1 71 etot 1.3528E+20 mv 6 81 65 47 0 + 4 e 278 39 etot -9.0436E+01 mv 6 81 17 191 0 + -1 e 1 73 etot 1.3528E+20 mv 6 81 65 106 0 + 4 e 255 44 etot -8.6705E+01 mv 6 81 191 196 0 + -1 e 1 75 etot 1.3528E+20 mv 6 81 65 109 0 + 4 e 437 38 etot -8.5898E+01 mv 6 81 17 81 0 + 4 e 288 22 etot -8.7136E+01 mv 6 81 128 55 0 + -1 e 1 77 etot 1.3528E+20 mv 6 81 65 103 0 + 4 e 310 51 etot -8.7461E+01 mv 6 81 197 13 0 + 4 e 2 78 etot -8.8147E+01 mv 6 81 65 74 0 + 4 e 268 46 etot -7.6915E+01 mv 6 81 191 190 0 + 4 e 33 74 etot -8.7242E+01 mv 6 81 65 185 0 c 185 0.1 0.0 + 4 e 223 50 etot -9.0746E+01 mv 6 81 191 92 0 + 4 e 294 43 etot -8.4737E+01 mv 6 81 191 18 0 + 4 e 634 7 etot -8.6717E+01 mv 6 81 18 100 0 c 127 197.0 0.0 + 4 e 303 23 etot -8.7229E+01 mv 6 81 128 29 0 + 4 e 266 53 etot -8.5647E+01 mv 6 81 197 156 0 + 4 e 312 55 etot -8.4921E+01 mv 6 81 197 196 0 + 4 e 383 41 etot -8.5042E+01 mv 6 81 191 192 0 + 4 e 363 40 etot -9.2233E+01 mv 6 81 17 37 0 + 4 e 241 54 etot -8.9187E+01 mv 6 81 197 172 0 + 4 e 394 48 etot -7.7200E+01 mv 6 81 191 127 0 + -1 e 1 93 etot 1.3528E+20 mv 6 81 135 106 0 + -1 e 1 94 etot 1.3528E+20 mv 6 81 135 55 0 + 4 e 178 83 etot -8.8293E+01 mv 6 81 13 98 0 + 4 e 319 64 etot -7.1314E+01 mv 6 81 37 21 0 + -1 e 1 97 etot 1.3528E+20 mv 6 81 135 67 0 + 4 e 270 66 etot -8.6695E+01 mv 6 81 37 8 0 + 4 e 274 61 etot -8.4210E+01 mv 6 81 37 177 0 + 4 e 311 57 etot -8.9186E+01 mv 6 81 197 9 0 + 4 e 470 59 etot -8.6352E+01 mv 6 81 197 85 0 + 4 e 161 84 etot -8.8278E+01 mv 6 81 13 168 0 + 4 e 484 56 etot -7.9219E+01 mv 6 81 197 171 0 + 4 e 220 90 etot -7.4448E+01 mv 6 81 13 126 0 + 8 e 93 99 etot -6.3984E+01 mv 6 81 135 179 0 + 4 e 247 89 etot -7.3232E+01 mv 6 81 13 36 0 + 4 e 345 79 etot -8.7195E+01 mv 6 81 65 19 0 + 4 e 251 92 etot -9.0348E+01 mv 6 81 135 117 0 c 33 14.1 0.0 + -1 e 1 109 etot 1.3528E+20 mv 6 81 59 105 0 + 4 e 360 80 etot -8.4387E+01 mv 6 81 65 173 0 + 4 e 301 85 etot -8.2451E+01 mv 6 81 13 198 0 + 4 e 197 96 etot -9.0850E+01 mv 6 81 135 50 0 + 4 e 330 88 etot -8.2528E+01 mv 6 81 13 24 0 + 4 e 318 91 etot -8.7734E+01 mv 6 81 135 171 0 + 4 e 202 98 etot -8.5945E+01 mv 6 81 135 7 0 + 4 e 350 76 etot -7.6758E+01 mv 6 81 65 113 0 + 4 e 316 95 etot -8.4093E+01 mv 6 81 135 48 0 + 4 e 574 37 etot -8.6910E+01 mv 6 81 17 122 0 + 4 e 319 82 etot -7.8122E+01 mv 6 81 13 57 0 + 4 e 151 101 etot -8.8574E+01 mv 6 81 59 136 0 + 4 e 174 81 etot -7.7656E+01 mv 6 81 13 88 0 + 4 e 425 68 etot -8.4035E+01 mv 6 81 37 90 0 + 4 e 578 70 etot -8.6889E+01 mv 6 81 37 46 0 + 4 e 346 100 etot -7.7478E+01 mv 6 81 135 84 0 + 4 e 293 102 etot -8.3487E+01 mv 6 81 59 181 0 + 4 e 644 60 etot -8.8189E+01 mv 6 81 197 173 0 + 4 e 148 118 etot -8.0974E+01 mv 6 81 122 17 0 + 4 e 300 107 etot -7.9655E+01 mv 6 81 59 188 0 + 4 e 68 123 etot -9.0153E+01 mv 6 81 125 106 0 c 106 0.1 0.0 + 4 e 280 110 etot -8.8574E+01 mv 6 81 59 76 0 + 4 e 338 105 etot -8.7634E+01 mv 6 81 59 77 0 + 4 e 592 86 etot -8.8628E+01 mv 6 81 13 39 0 + 4 e 334 106 etot -8.7634E+01 mv 6 81 59 166 0 + 4 e 289 113 etot -8.3819E+01 mv 6 81 122 118 0 + 4 e 296 112 etot -9.0192E+01 mv 6 81 122 3 0 + -1 e 1 136 etot 1.3528E+20 mv 6 81 50 109 0 + 4 e 364 108 etot -8.2623E+01 mv 6 81 59 22 0 + 4 e 293 115 etot -8.8629E+01 mv 6 81 122 63 0 + 4 e 297 116 etot -7.4497E+01 mv 6 81 122 71 0 + 4 e 553 32 etot -8.2636E+01 mv 6 81 17 69 0 + -1 e 1 141 etot 1.3528E+20 mv 6 81 7 149 0 + 4 e 230 124 etot -8.5954E+01 mv 6 81 125 4 0 + 4 e 495 104 etot -8.3417E+01 mv 6 81 59 159 0 + 4 e 193 128 etot -8.5279E+01 mv 6 81 125 135 0 f 155 285.1 0.5 + -1 e 1 145 etot 1.3528E+20 mv 6 81 7 126 0 + 4 e 422 114 etot -7.7256E+01 mv 6 81 122 110 0 + -1 e 1 147 etot 1.3528E+20 mv 6 81 7 175 0 + 4 e 251 120 etot -8.6774E+01 mv 6 81 122 103 0 + -1 e 1 149 etot 1.3528E+20 mv 6 81 7 98 0 + 4 e 475 111 etot -8.5430E+01 mv 6 81 122 184 0 + 4 e 347 103 etot -8.3146E+01 mv 6 81 59 200 0 + 4 e 315 67 etot -8.7264E+01 mv 6 81 37 197 0 + -1 e 1 153 etot 1.3528E+20 mv 6 81 142 105 0 + 4 e 311 125 etot -7.3845E+01 mv 6 81 125 137 0 + 4 e 194 138 etot -8.8221E+01 mv 6 81 50 4 0 + 4 e 276 132 etot -8.8221E+01 mv 6 81 50 84 0 + -1 e 1 157 etot 1.3528E+20 mv 6 81 142 189 0 + 4 e 299 131 etot -7.6543E+01 mv 6 81 50 53 0 + 4 e 316 121 etot -8.4066E+01 mv 6 81 125 165 0 + 4 e 313 119 etot -7.3505E+01 mv 6 81 122 170 0 + 4 e 336 133 etot -8.0615E+01 mv 6 81 50 117 0 + 4 e 752 62 etot -8.6220E+01 mv 6 81 37 149 0 + 4 e 408 127 etot -8.5694E+01 mv 6 81 125 39 0 + 4 e 435 126 etot -8.1928E+01 mv 6 81 125 65 0 + 4 e 608 117 etot -8.5409E+01 mv 6 81 122 190 0 + 4 e 400 63 etot -8.8892E+01 mv 6 81 37 143 0 + 4 e 404 134 etot -7.9090E+01 mv 6 81 50 54 0 + 4 e 362 139 etot -8.4729E+01 mv 6 81 50 101 0 + 4 e 404 137 etot -8.3333E+01 mv 6 81 50 95 0 + 4 e 216 155 etot -8.8988E+01 mv 6 81 142 46 0 + 4 e 269 151 etot -8.6317E+01 mv 6 81 142 45 0 + 4 e 419 140 etot -8.5959E+01 mv 6 81 50 144 0 + 4 e 478 135 etot -7.5590E+01 mv 6 81 50 36 0 + -1 e 1 174 etot 1.3528E+20 mv 6 81 4 130 0 + 4 e 157 160 etot -8.4478E+01 mv 6 81 142 175 0 + 4 e 536 129 etot -8.4324E+01 mv 6 81 125 16 0 + 4 e 405 148 etot -7.8835E+01 mv 6 81 7 8 0 + 4 e 126 169 etot -8.5077E+01 mv 6 81 150 47 0 c 47 0.6 0.0 + 4 e 218 162 etot -8.8062E+01 mv 6 81 150 166 0 + 4 e 439 143 etot -9.0191E+01 mv 6 81 7 40 0 + 4 e 157 154 etot -6.0394E+01 mv 6 81 142 25 0 + 4 e 594 72 etot -7.6176E+01 mv 6 81 65 166 0 + 4 e 238 165 etot -7.6982E+01 mv 6 81 150 102 0 + -1 e 1 184 etot 1.3528E+20 mv 6 81 45 195 0 + -1 e 1 185 etot 1.3528E+20 mv 6 81 45 70 0 + 4 e 483 144 etot -8.6247E+01 mv 6 81 7 126 0 + 4 e 196 161 etot -8.8215E+01 mv 6 81 150 133 0 + 4 e 428 122 etot -8.3161E+01 mv 6 81 125 98 0 + -1 e 1 189 etot 1.3528E+20 mv 6 81 45 91 0 + 4 e 446 130 etot -8.8628E+01 mv 6 81 125 23 0 + 8 e 2 190 etot 2.5599E+02 mv 6 81 45 53 0 + 4 e 320 150 etot -8.8233E+01 mv 6 81 7 136 0 + 4 e 216 170 etot -8.7772E+01 mv 6 81 150 154 0 + 4 e 405 156 etot -8.2730E+01 mv 6 81 142 166 0 + 4 e 392 159 etot -7.6592E+01 mv 6 81 142 175 0 + 4 e 417 158 etot -8.7350E+01 mv 6 81 142 152 0 + 4 e 538 146 etot -8.5735E+01 mv 6 81 7 139 0 + 4 e 359 164 etot -7.8612E+01 mv 6 81 150 179 0 + 4 e 204 175 etot -8.5085E+01 mv 6 81 4 102 0 + 4 e 203 178 etot -7.2908E+01 mv 6 81 4 58 0 + 4 e 177 186 etot -8.5077E+01 mv 6 81 45 116 0 + 4 e 309 163 etot -8.1605E+01 mv 6 81 150 149 0 + 4 e 245 180 etot -8.7933E+01 mv 6 81 4 190 0 + 4 e 344 172 etot -7.7657E+01 mv 6 81 4 35 0 + 4 e 259 181 etot -8.7827E+01 mv 6 81 45 74 0 + -1 e 1 206 etot 1.3528E+20 mv 2 81 86 -148 0 + 4 e 460 166 etot -7.9224E+01 mv 6 81 150 152 0 + 4 e 335 177 etot -8.8115E+01 mv 6 81 4 180 0 + 4 e 414 152 etot -8.8097E+01 mv 6 81 142 124 0 + 4 e 351 179 etot -7.4334E+01 mv 6 81 4 173 0 + 4 e 456 168 etot -8.7532E+01 mv 6 81 150 121 0 + -1 e 1 212 etot 4.8234E+27 mv 2 81 128 -200 0 + 4 e 464 171 etot -8.7961E+01 mv 6 81 4 38 0 + 4 e 281 195 etot -8.2005E+01 mv 6 81 91 181 0 + 4 e 451 173 etot -8.5138E+01 mv 6 81 4 86 0 + 4 e 229 201 etot -8.8056E+01 mv 2 81 18 -38 0 + 4 e 341 194 etot -8.2003E+01 mv 6 81 91 89 0 + 4 e 328 197 etot -7.8996E+01 mv 6 81 91 163 0 + 4 e 330 199 etot -7.6276E+01 mv 6 81 91 162 0 + 4 e 386 198 etot -8.2246E+01 mv 6 81 91 22 0 + 4 e 201 209 etot -6.9080E+01 mv 2 81 86 -8 0 + -1 e 1 221 etot 1.3528E+20 mv 2 81 191 -18 0 + 4 e 301 191 etot -8.5460E+01 mv 6 81 91 135 0 + 4 e 366 200 etot -8.1616E+01 mv 6 81 91 16 0 + 4 e 427 196 etot -7.9218E+01 mv 6 81 91 5 0 + 4 e 585 87 etot -8.8628E+01 mv 6 81 13 105 0 + -1 e 1 227 etot 7.1573E+20 mv 2 81 197 -36 0 + 4 e 369 183 etot -8.1584E+01 mv 6 81 45 140 0 + 4 e 532 187 etot -7.5781E+01 mv 6 81 45 49 0 + 4 e 156 218 etot -9.2490E+01 mv 2 81 17 -43 0 + 4 e 286 211 etot -8.6019E+01 mv 2 81 128 -35 0 + 8 e 86 225 etot -6.3998E+01 mv 2 81 191 122 0 + 4 e 354 188 etot -8.9564E+01 mv 6 81 45 21 0 + 4 e 493 167 etot -8.3406E+01 mv 6 81 150 195 0 + 4 e 235 216 etot -7.4770E+01 mv 2 81 17 -120 0 + 4 e 377 192 etot -8.3773E+01 mv 6 81 91 141 0 + 4 e 384 205 etot -9.0451E+01 mv 2 81 18 -93 0 + 4 e 288 214 etot -7.6726E+01 mv 2 81 128 -11 0 + 4 e 413 207 etot -7.0721E+01 mv 2 81 86 -87 0 + 4 e 274 215 etot -8.2782E+01 mv 2 81 128 -179 0 + 4 e 429 208 etot -7.3033E+01 mv 2 81 86 -187 0 + 4 e 316 203 etot -7.3393E+01 mv 2 81 18 -117 0 + 4 e 454 204 etot -8.6943E+01 mv 2 81 18 -126 0 + 4 e 436 193 etot -9.0617E+01 mv 6 81 91 193 0 + 4 e 237 223 etot -9.0761E+01 mv 2 81 191 -75 0 + 4 e 374 217 etot -8.6699E+01 mv 2 81 17 -23 0 + 4 e 179 233 etot -8.9075E+01 mv 2 81 37 152 0 + 4 e 226 230 etot -7.7927E+01 mv 2 81 197 56 0 + 4 e 302 222 etot -7.6267E+01 mv 2 81 191 130 0 + 4 e 208 231 etot -8.9075E+01 mv 2 81 37 54 0 + 4 e 142 240 etot -8.9446E+01 mv 2 81 65 -85 0 + 4 e 584 176 etot -8.4437E+01 mv 6 81 4 11 0 + 4 e 371 219 etot -9.0900E+01 mv 2 81 17 10 0 + 4 e 367 220 etot -8.8194E+01 mv 2 81 17 -71 0 + 4 e 182 239 etot -6.8856E+01 mv 2 81 65 173 0 + 4 e 492 213 etot -8.4314E+01 mv 2 81 128 -185 0 + 4 e 286 226 etot -7.5268E+01 mv 2 81 197 -25 0 + 4 e 563 182 etot -7.9876E+01 mv 6 81 45 148 0 + 4 e 634 202 etot -9.0449E+01 mv 2 81 18 -95 0 + 4 e 201 238 etot -8.9446E+01 mv 2 81 65 95 0 + 4 e 207 242 etot -8.8871E+01 mv 2 81 13 48 0 + -1 e 1 262 etot 1.3528E+20 mv 2 81 125 -16 0 + 4 e 251 241 etot -8.7442E+01 mv 2 81 13 -2 0 + 4 e 173 243 etot -8.8871E+01 mv 2 81 13 -197 0 + 4 e 208 246 etot -8.8256E+01 mv 2 81 135 198 0 + 4 e 348 236 etot -8.9445E+01 mv 2 81 65 80 0 + 4 e 142 228 etot -8.9187E+01 mv 2 81 197 40 0 + 4 e 191 251 etot -8.6303E+01 mv 2 81 59 -64 0 + 4 e 280 244 etot -8.6845E+01 mv 2 81 13 -38 0 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2 81 37 137 0 + 4 e 179 273 etot -6.5079E+01 mv 2 81 7 -17 0 + 4 e 136 288 etot -8.8116E+01 mv 2 81 4 -67 0 + -1 e 1 293 etot 1.3528E+20 mv 2 81 45 -99 0 + -1 e 1 294 etot 1.3528E+20 mv 2 81 45 63 0 + -1 e 1 295 etot 1.3528E+20 mv 2 81 45 -80 0 + 4 e 348 267 etot -8.8220E+01 mv 2 81 50 -101 0 + 4 e 493 256 etot -7.8575E+01 mv 2 81 122 -134 0 + 4 e 180 283 etot -8.8215E+01 mv 2 81 150 -107 0 + 4 e 427 266 etot -7.9111E+01 mv 2 81 50 160 0 + 4 e 534 260 etot -8.1354E+01 mv 2 81 122 12 0 + -1 e 1 301 etot 1.3528E+20 mv 1 81 18 -55 0 + 4 e 450 264 etot -8.7836E+01 mv 2 81 125 85 0 + 4 e 379 269 etot -8.4107E+01 mv 2 81 50 -26 0 + 4 e 273 281 etot -7.8259E+01 mv 2 81 150 -83 0 + 4 e 396 259 etot -7.6722E+01 mv 2 81 122 29 0 + 4 e 170 289 etot -6.5108E+01 mv 2 81 4 -136 0 + 4 e 283 286 etot -8.7885E+01 mv 2 81 4 -134 0 + 4 e 302 285 etot -8.5492E+01 mv 2 81 150 -86 0 + 4 e 665 249 etot -6.9018E+01 mv 2 81 135 -4 0 + -1 e 1 309 etot 1.3528E+20 mv 1 81 86 -60 0 + 4 e 339 278 etot -8.7761E+01 mv 2 81 142 -22 0 + 4 e 315 268 etot -8.8220E+01 mv 2 81 50 -138 0 + 4 e 287 290 etot -7.7384E+01 mv 2 81 4 17 0 + 4 e 366 276 etot -8.8222E+01 mv 2 81 142 166 0 + -1 e 1 315 etot 1.3834E+20 mv 1 81 128 -56 0 + 4 e 528 245 etot -8.0631E+01 mv 2 81 13 -139 0 + 4 e 641 229 etot -8.3053E+01 mv 2 81 197 40 0 + 4 e 435 274 etot -7.9801E+01 mv 2 81 7 26 0 + 4 e 488 253 etot -8.3630E+01 mv 2 81 59 -154 0 + 4 e 191 291 etot -8.7529E+01 mv 2 81 45 22 0 + 4 e 234 298 etot -8.6457E+01 mv 2 81 91 -180 0 + 4 e 453 280 etot -8.2969E+01 mv 2 81 142 79 0 + 4 e 242 297 etot -6.9295E+01 mv 2 81 91 -143 0 + 4 e 290 296 etot -8.4874E+01 mv 2 81 91 -170 0 + 4 e 511 275 etot -8.8233E+01 mv 2 81 7 -195 0 + 4 e 436 271 etot -8.1363E+01 mv 2 81 7 30 0 + 4 e 345 287 etot -8.6223E+01 mv 2 81 4 -169 0 + 4 e 212 311 etot -8.5653E+01 mv 1 81 128 -175 0 + 4 e 343 300 etot -8.5039E+01 mv 2 81 91 -74 0 + 4 e 271 292 etot -7.4733E+01 mv 2 81 45 154 0 + 4 e 378 299 etot -7.2067E+01 mv 2 81 91 -100 0 + 4 e 473 272 etot -7.9802E+01 mv 2 81 7 124 0 + 4 e 585 282 etot -8.5984E+01 mv 2 81 150 -177 0 + 4 e 269 310 etot -8.6729E+01 mv 1 81 86 -5 0 + 4 e 365 302 etot -8.7258E+01 mv 1 81 18 -100 0 c 102 152.7 1.2 + 4 e 438 277 etot -8.2632E+01 mv 2 81 142 139 0 + 4 e 261 319 etot -9.2233E+01 mv 1 81 17 95 0 + 4 e 184 326 etot -8.9187E+01 mv 1 81 197 -31 0 + 8 e 257 306 etot -6.3992E+01 mv 1 81 86 -200 0 + 4 e 422 305 etot -8.2665E+01 mv 1 81 18 -157 0 + 4 e 255 323 etot -9.0435E+01 mv 1 81 191 -38 0 + 4 e 360 312 etot -7.6911E+01 mv 1 81 128 -17 0 + 4 e 292 322 etot -8.1081E+01 mv 1 81 191 -55 0 + 4 e 231 320 etot -8.4383E+01 mv 1 81 17 -192 0 + 4 e 400 314 etot -8.5652E+01 mv 1 81 128 -51 0 + -1 e 1 346 etot 1.3528E+20 mv 1 81 135 -176 0 + 4 e 336 324 etot -8.4321E+01 mv 1 81 191 -17 0 + -1 e 1 348 etot 1.3528E+20 mv 1 81 135 -193 0 + 4 e 308 318 etot -9.2489E+01 mv 1 81 17 186 0 + 4 e 480 316 etot -9.2488E+01 mv 1 81 17 -73 0 + 4 e 315 317 etot -9.0216E+01 mv 1 81 17 -91 0 + 4 e 610 303 etot -8.4219E+01 mv 1 81 18 -103 0 + 4 e 197 331 etot -8.9075E+01 mv 1 81 37 -39 0 + 4 e 556 308 etot -8.4430E+01 mv 1 81 86 -152 0 + 4 e 375 307 etot -7.7573E+01 mv 1 81 86 -87 0 + 4 e 386 325 etot -9.0760E+01 mv 1 81 191 -140 0 + 4 e 303 321 etot -9.0760E+01 mv 1 81 191 133 0 + 4 e 200 333 etot -8.9075E+01 mv 1 81 37 41 0 + 8 e 7 352 etot -6.3995E+01 mv 1 81 59 -199 0 + 4 e 327 330 etot -8.8312E+01 mv 1 81 197 -172 0 + 4 e 347 329 etot -8.8727E+01 mv 1 81 197 -72 0 + 4 e 182 343 etot -8.8871E+01 mv 1 81 13 193 0 + 4 e 216 341 etot -8.8871E+01 mv 1 81 13 36 0 + 4 e 382 313 etot -8.3346E+01 mv 1 81 128 -184 0 + 4 e 313 335 etot -8.9074E+01 mv 1 81 37 141 0 + 4 e 736 304 etot -8.6987E+01 mv 1 81 18 -131 0 + 4 e 319 342 etot -7.5327E+01 mv 1 81 13 -162 0 + 4 e 172 353 etot -8.8574E+01 mv 1 81 59 -136 0 + -1 e 1 369 etot 1.3528E+20 mv 1 81 50 92 0 + -1 e 1 370 etot 1.3528E+20 mv 1 81 50 58 0 + 4 e 209 345 etot -8.8871E+01 mv 1 81 13 158 0 + 4 e 485 332 etot -8.0146E+01 mv 1 81 37 -55 0 + -1 e 1 373 etot 1.3528E+20 mv 1 81 7 -13 0 + 4 e 138 366 etot -8.8221E+01 mv 1 81 50 39 0 + 4 e 409 338 etot -8.9445E+01 mv 1 81 65 107 0 + 4 e 389 327 etot -8.3962E+01 mv 1 81 197 -34 0 + 4 e 182 363 etot -8.8844E+01 mv 1 81 125 46 0 + 4 e 382 328 etot -8.7004E+01 mv 1 81 197 122 0 + 4 e 545 334 etot -8.9246E+01 mv 1 81 37 153 0 + 4 e 199 360 etot -8.8240E+01 mv 1 81 122 -39 0 + 4 e 335 340 etot -8.9316E+01 mv 1 81 65 113 0 + 4 e 321 357 etot -8.7703E+01 mv 1 81 122 15 0 + 4 e 193 365 etot -8.8843E+01 mv 1 81 125 4 0 + 4 e 310 362 etot -8.7812E+01 mv 1 81 125 -81 0 + 4 e 299 364 etot -8.8438E+01 mv 1 81 125 127 0 + 4 e 204 368 etot -8.8221E+01 mv 1 81 50 94 0 + 4 e 239 367 etot -8.6067E+01 mv 1 81 50 185 0 + 4 e 573 339 etot -8.1426E+01 mv 1 81 65 -169 0 + -1 e 1 389 etot 1.3528E+20 mv 1 81 4 70 0 + 4 e 662 336 etot -8.3293E+01 mv 1 81 65 -22 0 + 4 e 453 349 etot -8.8679E+01 mv 1 81 135 -58 0 + 4 e 260 359 etot -8.8753E+01 mv 1 81 122 93 0 + 4 e 268 356 etot -8.8240E+01 mv 1 81 122 -48 0 + 4 e 287 350 etot -8.8679E+01 mv 1 81 135 162 0 + 4 e 417 355 etot -8.0030E+01 mv 1 81 59 58 0 + 4 e 547 344 etot -8.8870E+01 mv 1 81 13 -197 0 + -1 e 1 396 etot 3.5398E+22 mv 1 81 91 179 0 + 4 e 554 347 etot -8.4429E+01 mv 1 81 135 47 0 + 4 e 493 337 etot -8.9442E+01 mv 1 81 65 84 0 + 4 e 163 383 etot -8.7420E+01 mv 1 81 150 5 0 + 4 e 513 351 etot -8.6083E+01 mv 1 81 59 -167 0 + 4 e 149 385 etot -8.8215E+01 mv 1 81 150 -35 0 + 4 e 276 378 etot -8.8224E+01 mv 1 81 142 169 0 + 4 e 147 381 etot -8.6523E+01 mv 1 81 150 102 0 + 4 e 2 405 etot -9.0761E+01 mv 0 81 191 0 0 + 4 e 2 406 etot -8.9188E+01 mv 0 81 197 0 0 + 4 e 2 407 etot -8.9075E+01 mv 0 81 37 0 0 + 4 e 159 392 etot -6.5908E+01 mv 1 81 45 -44 0 + 4 e 2 409 etot -8.8871E+01 mv 0 81 13 0 0 + 4 e 376 358 etot -7.5337E+01 mv 1 81 122 -113 0 + 4 e 2 411 etot -8.8574E+01 mv 0 81 59 0 0 + 4 e 352 374 etot -8.0383E+01 mv 1 81 7 82 0 + 4 e 375 371 etot -8.8233E+01 mv 1 81 7 -29 0 + 4 e 349 376 etot -8.8224E+01 mv 1 81 142 191 0 + 4 e 10 413 etot -8.8844E+01 mv 0 81 125 0 0 c 125 0.0 0.0 + 4 e 43 404 etot -9.2490E+01 mv 0 81 17 0 0 c 17 0.1 0.0 + 4 e 88 414 etot -8.8222E+01 mv 0 81 50 0 0 c 50 0.9 0.0 + 4 e 24 410 etot -8.8680E+01 mv 0 81 135 0 0 c 135 0.0 0.0 + 4 e 367 380 etot -7.3219E+01 mv 1 81 142 -160 0 +## N0 total= 18 close= 9 far= 0 %acc 50.0 +## N1 total= 102 close= 1 far= 0 %acc 1.0 +## N2 total= 100 close= 0 far= 0 %acc 0.0 +## N3 total= 0 close= 0 far= 0 %acc 0.0 +## N4 total= 0 close= 0 far= 0 %acc 0.0 +## N5 total= 0 close= 0 far= 0 %acc 0.0 +## N6 total= 200 close= 9 far= 1 %acc 5.0 +## N7 total= 0 close= 0 far= 0 %acc 0.0 +## N8 total= 0 close= 0 far= 0 %acc 0.0 +## N9 total= 0 close= 0 far= 0 %acc 0.0 +##N10 total= 0 close= 0 far= 0 %acc 0.0 +##N11 total= 0 close= 0 far= 0 %acc 0.0 +##N12 total= 0 close= 0 far= 0 %acc 0.0 +##N13 total= 0 close= 0 far= 0 %acc 0.0 +##N14 total= 0 close= 0 far= 0 %acc 0.0 +##N15 total= 0 close= 0 far= 0 %acc 0.0 +##N16 total= 0 close= 0 far= 0 %acc 0.0 +##N17 total= 0 close= 0 far= 0 %acc 0.0 +##N18 total= 0 close= 0 far= 0 %acc 0.0 + Time for refresh 82 0.35 + make_var : nseed= 20 ntry= 420 + Time for make trial 83 0.70 +Nonsetup time 173.71 sec, Eval/s = 58344.89 +Time for iter 83 2.62 sec, Eval/s = 46870.48 + UPDATING 420 + 4 e 77 418 etot -8.8116E+01 mv 0 81 4 0 0 c 4 0.1 0.0 + 4 e 16 419 etot -8.7827E+01 mv 0 81 45 0 0 c 45 0.0 0.0 + 4 e 2 420 etot -8.7814E+01 mv 0 81 91 0 0 + 4 e 610 361 etot -8.4641E+01 mv 1 81 125 64 0 + 4 e 420 390 etot -8.4155E+01 mv 1 81 4 102 0 + 4 e 445 398 etot -8.2906E+01 mv 1 81 91 160 0 + 4 e 2 416 etot -8.8225E+01 mv 0 81 142 0 0 + 4 e 558 375 etot -8.8233E+01 mv 1 81 7 -156 0 + 4 e 218 391 etot -8.7827E+01 mv 1 81 45 200 0 + 4 e 12 417 etot -8.8216E+01 mv 0 81 150 0 0 c 150 0.0 0.0 + 4 e 151 402 etot -8.7056E+01 mv 0 81 86 0 0 c 86 2.6 0.0 + 4 e 28 415 etot -8.8235E+01 mv 0 81 7 0 0 + 4 e 239 386 etot -8.5699E+01 mv 1 81 4 -70 0 + 4 e 178 397 etot -8.7814E+01 mv 1 81 91 37 0 + -1 e 1 6 etot 1.3528E+20 mv 6 82 18 121 0 + 4 e 353 388 etot -8.8115E+01 mv 1 81 4 -131 0 + -1 e 1 10 etot 1.3528E+20 mv 6 82 18 174 0 + 4 e 206 401 etot -8.8056E+01 mv 0 81 18 0 0 + 4 e 120 403 etot -8.5653E+01 mv 0 81 128 0 0 + 4 e 235 387 etot -6.9790E+01 mv 1 81 4 -9 0 + 4 e 241 399 etot -8.1296E+01 mv 1 81 91 135 0 + 4 e 557 354 etot -8.3760E+01 mv 1 81 59 -127 0 + 4 e 306 395 etot -8.6980E+01 mv 1 81 45 -150 0 + 4 e 525 400 etot -8.0942E+01 mv 1 81 91 71 0 + 4 e 332 384 etot -8.4915E+01 mv 1 81 150 108 0 + 4 e 368 372 etot -8.8779E+01 mv 1 81 7 11 0 c 7 91.7 0.5 + -1 e 1 20 etot 1.3528E+20 mv 6 82 33 165 0 + -1 e 1 21 etot 1.3528E+20 mv 6 82 102 79 0 + 4 e 49 408 etot -8.9446E+01 mv 0 81 65 0 0 c 65 0.5 0.0 + 4 e 256 394 etot -8.7827E+01 mv 1 81 45 -169 0 + 4 e 337 379 etot -8.8224E+01 mv 1 81 142 -54 0 + 4 e 362 377 etot -8.8224E+01 mv 1 81 142 185 0 + 4 e 270 382 etot -7.5727E+01 mv 1 81 150 158 0 + 4 e 52 412 etot -8.8240E+01 mv 0 81 122 0 0 c 122 0.1 0.0 + 4 e 521 393 etot -8.7825E+01 mv 1 81 45 93 0 + -1 e 1 29 etot 1.3528E+20 mv 6 82 102 140 0 + -1 e 1 22 etot 1.3528E+20 mv 6 82 102 27 0 + 4 e 81 31 etot -8.7770E+01 mv 6 82 127 140 0 c 140 0.2 0.0 + 4 e 157 14 etot -9.0349E+01 mv 6 82 33 25 0 c 33 1.4 0.0 + 4 e 169 19 etot -9.2487E+01 mv 6 82 33 8 0 + 4 e 195 36 etot -8.3387E+01 mv 6 82 127 29 0 + 4 e 280 18 etot -9.0105E+01 mv 6 82 33 95 0 + 4 e 305 11 etot -8.9728E+01 mv 6 82 33 150 0 + 4 e 381 2 etot -8.8745E+01 mv 6 82 18 65 0 + 4 e 334 4 etot -8.8953E+01 mv 6 82 18 173 0 + 4 e 341 27 etot -8.1617E+01 mv 6 82 102 91 0 + 4 e 275 38 etot -8.7638E+01 mv 6 82 127 66 0 c 127 70.2 0.9 + -1 e 1 46 etot 1.3528E+20 mv 6 82 128 41 0 + -1 e 1 47 etot 1.3528E+20 mv 6 82 128 24 0 + 4 e 154 41 etot -8.3011E+01 mv 6 82 128 148 0 + 4 e 363 28 etot -8.8952E+01 mv 6 82 102 92 0 + 4 e 371 13 etot -9.0104E+01 mv 6 82 33 28 0 + 4 e 377 16 etot -9.1464E+01 mv 6 82 33 127 0 + 4 e 495 1 etot -8.4781E+01 mv 6 82 18 168 0 + 4 e 409 8 etot -8.5767E+01 mv 6 82 18 62 0 + 4 e 410 15 etot -8.1703E+01 mv 6 82 33 163 0 + 4 e 217 34 etot -8.5860E+01 mv 6 82 127 38 0 + 4 e 418 5 etot -8.7581E+01 mv 6 82 18 165 0 + 4 e 577 3 etot -8.7984E+01 mv 6 82 18 30 0 + 4 e 451 30 etot -8.5795E+01 mv 6 82 102 43 0 + 4 e 196 44 etot -8.4584E+01 mv 6 82 128 118 0 + 4 e 495 12 etot -8.4464E+01 mv 6 82 33 45 0 + 4 e 478 9 etot -8.8255E+01 mv 6 82 18 147 0 + 4 e 254 37 etot -8.9938E+01 mv 6 82 127 29 0 + 4 e 519 7 etot -9.2230E+01 mv 6 82 18 173 0 + 4 e 173 48 etot -8.7860E+01 mv 6 82 128 49 0 + 4 e 203 49 etot -8.7861E+01 mv 6 82 128 78 0 + 4 e 164 55 etot -8.6048E+01 mv 6 82 155 128 0 c 128 1.9 0.0 + 4 e 276 33 etot -8.4537E+01 mv 6 82 127 162 0 + 4 e 260 52 etot -7.7808E+01 mv 6 82 155 67 0 + 4 e 469 39 etot -8.8950E+01 mv 6 82 127 130 0 + 4 e 570 26 etot -8.7923E+01 mv 6 82 102 196 0 + 4 e 292 43 etot -7.2762E+01 mv 6 82 128 109 0 + 4 e 605 17 etot -9.2485E+01 mv 6 82 33 121 0 + 4 e 292 42 etot -8.2294E+01 mv 6 82 128 167 0 + 4 e 414 40 etot -8.6719E+01 mv 6 82 127 126 0 + 4 e 188 58 etot -7.0339E+01 mv 6 82 155 173 0 + 4 e 202 56 etot -7.6836E+01 mv 6 82 155 181 0 + 4 e 259 50 etot -8.7759E+01 mv 6 82 128 32 0 + 4 e 14 77 etot -8.4898E+01 mv 6 82 191 170 0 c 170 0.0 0.0 + 4 e 257 51 etot -7.9714E+01 mv 6 82 155 7 0 + 4 e 316 35 etot -7.3751E+01 mv 6 82 127 160 0 + -1 e 1 82 etot 1.3528E+20 mv 6 82 101 142 0 + 4 e 276 62 etot -8.3402E+01 mv 6 82 127 9 0 + 4 e 145 71 etot -8.8483E+01 mv 6 82 191 158 0 + 4 e 396 54 etot -8.4757E+01 mv 6 82 155 127 0 + 4 e 281 63 etot -8.2915E+01 mv 6 82 127 161 0 + 4 e 342 23 etot -8.1476E+01 mv 6 82 102 174 0 + 4 e 21 86 etot -8.5415E+01 mv 6 82 101 147 0 c 147 0.0 0.0 + 4 e 344 61 etot -8.2525E+01 mv 6 82 127 120 0 + 4 e 219 68 etot -8.7638E+01 mv 6 82 127 172 0 + -1 e 1 91 etot 1.3528E+20 mv 6 82 197 10 0 + 4 e 401 45 etot -8.5208E+01 mv 6 82 128 153 0 + 4 e 380 59 etot -8.7811E+01 mv 6 82 155 189 0 + 4 e 331 60 etot -8.7585E+01 mv 6 82 155 116 0 + 4 e 251 80 etot -7.7713E+01 mv 6 82 191 109 0 + 4 e 353 65 etot -8.8146E+01 mv 6 82 127 29 0 + 4 e 374 70 etot -8.8779E+01 mv 6 82 127 195 0 + 4 e 331 74 etot -8.5519E+01 mv 6 82 191 103 0 + 4 e 274 67 etot -8.3335E+01 mv 6 82 127 95 0 + 4 e 641 53 etot -8.8666E+01 mv 6 82 155 119 0 + 4 e 233 79 etot -8.2979E+01 mv 6 82 191 41 0 + 4 e 409 66 etot -8.3518E+01 mv 6 82 127 9 0 + 4 e 349 78 etot -7.8244E+01 mv 6 82 191 40 0 + 4 e 430 73 etot -8.4252E+01 mv 6 82 191 121 0 + 4 e 308 84 etot -7.7954E+01 mv 6 82 101 22 0 + 4 e 266 89 etot -8.5917E+01 mv 6 82 101 13 0 + 4 e 456 32 etot -8.7088E+01 mv 6 82 127 148 0 + 4 e 402 76 etot -8.8916E+01 mv 6 82 191 19 0 + -1 e 1 108 etot 1.3528E+20 mv 6 82 37 157 0 + 4 e 324 93 etot -8.7769E+01 mv 6 82 197 103 0 + 4 e 401 90 etot -8.7542E+01 mv 6 82 101 167 0 + -1 e 1 112 etot 1.3528E+20 mv 6 82 13 125 0 + 4 e 188 101 etot -8.8763E+01 mv 6 82 37 130 0 + 4 e 439 87 etot -8.3298E+01 mv 6 82 101 63 0 + 4 e 269 97 etot -8.9187E+01 mv 6 82 197 113 0 + 4 e 184 106 etot -8.9075E+01 mv 6 82 37 194 0 + 4 e 429 94 etot -8.2214E+01 mv 6 82 197 25 0 + -1 e 1 118 etot 1.3528E+20 mv 6 82 13 86 0 + 4 e 301 98 etot -7.8758E+01 mv 6 82 197 182 0 + -1 e 1 120 etot 1.3528E+20 mv 6 82 13 146 0 + 4 e 546 85 etot -8.7064E+01 mv 6 82 101 20 0 + -1 e 1 122 etot 1.3528E+20 mv 6 82 79 179 0 + 4 e 61 119 etot -8.5062E+01 mv 6 82 13 1 0 c 1 0.2 0.0 + 4 e 44 121 etot -8.7303E+01 mv 6 82 79 64 0 c 64 0.1 0.0 + 4 e 558 81 etot -7.7183E+01 mv 6 82 101 76 0 + 4 e 634 75 etot -8.8955E+01 mv 6 82 191 7 0 + 4 e 494 72 etot -9.0759E+01 mv 6 82 191 41 0 + 4 e 295 64 etot -8.1834E+01 mv 6 82 127 178 0 + 4 e 315 103 etot -7.6533E+01 mv 6 82 37 48 0 + -1 e 1 130 etot 1.7513E+22 mv 6 82 79 107 0 + 4 e 297 107 etot -8.9074E+01 mv 6 82 37 93 0 + 4 e 322 105 etot -8.4840E+01 mv 6 82 37 159 0 + 4 e 270 109 etot -8.5538E+01 mv 6 82 37 194 0 + -1 e 1 134 etot 1.3528E+20 mv 6 82 59 143 0 + 4 e 448 96 etot -7.8434E+01 mv 6 82 197 125 0 + 4 e 595 25 etot -8.6549E+01 mv 6 82 102 4 0 + 4 e 431 99 etot -8.4039E+01 mv 6 82 197 143 0 + 4 e 372 104 etot -9.0798E+01 mv 6 82 37 11 0 + -1 e 1 139 etot 1.3528E+20 mv 6 82 59 27 0 + 4 e 327 100 etot -8.8222E+01 mv 6 82 197 22 0 + -1 e 1 141 etot 1.3528E+20 mv 6 82 158 55 0 + 4 e 262 116 etot -8.8630E+01 mv 6 82 13 171 0 + 4 e 708 92 etot -8.9183E+01 mv 6 82 197 142 0 + 4 e 441 95 etot -7.6033E+01 mv 6 82 197 34 0 + 4 e 167 128 etot -6.8475E+01 mv 6 82 79 46 0 + 4 e 369 102 etot -8.6830E+01 mv 6 82 37 181 0 + 4 e 384 113 etot -7.9128E+01 mv 6 82 13 61 0 + 4 e 203 133 etot -8.2349E+01 mv 6 82 59 128 0 + 4 e 205 136 etot -7.7729E+01 mv 6 82 59 102 0 + 4 e 309 123 etot -8.7305E+01 mv 6 82 79 175 0 + 4 e 248 132 etot -8.7796E+01 mv 6 82 59 134 0 + 4 e 421 57 etot -7.7022E+01 mv 6 82 155 186 0 + -1 e 1 153 etot 1.3528E+20 mv 6 82 142 197 0 + 4 e 306 124 etot -8.4343E+01 mv 6 82 79 40 0 + 4 e 369 117 etot -8.4012E+01 mv 6 82 13 38 0 + 4 e 482 111 etot -8.4493E+01 mv 6 82 13 9 0 + -1 e 1 157 etot 1.3528E+20 mv 6 82 142 168 0 + 4 e 227 138 etot -8.0209E+01 mv 6 82 59 118 0 + -1 e 1 159 etot 1.3528E+20 mv 6 82 142 176 0 + 4 e 320 83 etot -7.8958E+01 mv 6 82 101 68 0 + 4 e 451 115 etot -8.7049E+01 mv 6 82 13 144 0 + 4 e 327 127 etot -8.8949E+01 mv 6 82 79 33 0 c 79 50.0 0.1 + 4 e 334 88 etot -9.0008E+01 mv 6 82 101 6 0 + 4 e 218 129 etot -8.4958E+01 mv 6 82 79 161 0 + 4 e 403 125 etot -8.4607E+01 mv 6 82 79 62 0 + 4 e 707 24 etot -8.8206E+01 mv 6 82 102 179 0 + 4 e 337 140 etot -8.4990E+01 mv 6 82 59 133 0 + 4 e 422 131 etot -8.6083E+01 mv 6 82 59 195 0 + 4 e 265 143 etot -8.9693E+01 mv 6 82 158 106 0 + 4 e 613 114 etot -8.4570E+01 mv 6 82 13 177 0 + 4 e 227 152 etot -8.6437E+01 mv 6 82 142 70 0 + -1 e 1 172 etot 1.3528E+20 mv 6 82 4 149 0 + 4 e 549 126 etot -8.1117E+01 mv 6 82 79 43 0 + 4 e 369 144 etot -8.8436E+01 mv 6 82 158 73 0 + 4 e 269 162 etot -7.8678E+01 mv 6 82 150 84 0 + 4 e 353 137 etot -8.3808E+01 mv 6 82 59 53 0 + 4 e 326 155 etot -8.5456E+01 mv 6 82 142 8 0 + 4 e 255 147 etot -8.8483E+01 mv 6 82 158 105 0 + 4 e 326 156 etot -8.8224E+01 mv 6 82 142 155 0 + 4 e 290 163 etot -8.4719E+01 mv 6 82 150 194 0 + 4 e 2 179 etot -8.4958E+01 mv 6 82 4 161 0 + 4 e 385 149 etot -8.0218E+01 mv 6 82 158 42 0 + 4 e 352 142 etot -8.8925E+01 mv 6 82 158 50 0 + 4 e 216 168 etot -8.8215E+01 mv 6 82 150 60 0 + 4 e 603 135 etot -8.6583E+01 mv 6 82 59 37 0 + 4 e 218 164 etot -8.7772E+01 mv 6 82 150 38 0 + 4 e 184 167 etot -8.6094E+01 mv 6 82 150 136 0 + 4 e 11 188 etot -8.6118E+01 mv 6 82 176 107 0 c 107 0.0 0.0 + 4 e 431 150 etot -8.5102E+01 mv 6 82 158 199 0 + 4 e 309 110 etot -8.7585E+01 mv 6 82 37 193 0 + 4 e 186 173 etot -8.7933E+01 mv 6 82 4 117 0 + 4 e 239 170 etot -8.7771E+01 mv 6 82 150 181 0 + 4 e 513 69 etot -9.0505E+01 mv 6 82 127 63 0 + 4 e 418 158 etot -7.4312E+01 mv 6 82 142 72 0 + 4 e 275 169 etot -7.8312E+01 mv 6 82 150 83 0 + 4 e 478 148 etot -7.9798E+01 mv 6 82 158 67 0 + 4 e 170 176 etot -8.9262E+01 mv 6 82 4 187 0 + 4 e 369 145 etot -7.3759E+01 mv 6 82 158 38 0 + -1 e 1 199 etot 1.3528E+20 mv 6 82 45 178 0 + 4 e 218 175 etot -8.2183E+01 mv 6 82 4 190 0 + 4 e 31 191 etot -8.8630E+01 mv 6 82 45 63 0 c 63 0.1 0.0 + 4 e 333 165 etot -8.6292E+01 mv 6 82 150 197 0 + 4 e 500 160 etot -8.1142E+01 mv 6 82 142 83 0 + 4 e 447 166 etot -8.8236E+01 mv 6 82 150 6 0 + 4 e 153 182 etot -8.7891E+01 mv 6 82 176 38 0 + 4 e 225 180 etot -8.7878E+01 mv 6 82 4 31 0 + 4 e 430 146 etot -8.4180E+01 mv 6 82 158 130 0 + 4 e 349 174 etot -8.0600E+01 mv 6 82 4 177 0 + 4 e 192 161 etot -8.8215E+01 mv 6 82 150 117 0 + 4 e 267 183 etot -7.3575E+01 mv 6 82 176 64 0 + 4 e 303 178 etot -8.9262E+01 mv 6 82 4 99 0 + 4 e 287 186 etot -8.7890E+01 mv 6 82 176 161 0 + -1 e 1 213 etot 1.3528E+20 mv 2 82 102 -157 0 + 4 e 685 151 etot -8.8949E+01 mv 6 82 142 165 0 + 4 e 499 171 etot -8.4153E+01 mv 6 82 4 157 0 + 4 e 145 200 etot -7.1125E+01 mv 6 82 45 157 0 + 4 e 276 195 etot -8.8150E+01 mv 6 82 45 77 0 + 4 e 296 192 etot -8.9564E+01 mv 6 82 45 166 0 + 4 e 333 185 etot -8.6615E+01 mv 6 82 176 196 0 + 4 e 285 197 etot -8.5555E+01 mv 6 82 45 94 0 + 4 e 318 193 etot -8.6233E+01 mv 6 82 45 49 0 + 4 e 200 207 etot -7.2088E+01 mv 2 82 33 -60 0 + 4 e 287 201 etot -8.6236E+01 mv 2 82 18 -143 0 + 4 e 455 181 etot -7.8761E+01 mv 6 82 176 140 0 + -1 e 1 225 etot 1.3528E+20 mv 2 82 128 -3 0 + 4 e 317 198 etot -7.9980E+01 mv 6 82 45 18 0 + 4 e 391 190 etot -8.9933E+01 mv 6 82 176 191 0 + 4 e 396 196 etot -8.7747E+01 mv 6 82 45 50 0 + 4 e 153 215 etot -8.7259E+01 mv 2 82 102 -152 0 c 102 1.9 0.0 + 4 e 372 177 etot -8.0457E+01 mv 6 82 4 91 0 + 4 e 228 211 etot -8.7259E+01 mv 2 82 102 -59 0 + 4 e 304 194 etot -8.7826E+01 mv 6 82 45 112 0 + 4 e 258 209 etot -8.8760E+01 mv 2 82 33 -103 0 + 4 e 171 221 etot -8.6048E+01 mv 2 82 128 -193 0 c 128 1.7 0.0 + 4 e 366 184 etot -8.7889E+01 mv 6 82 176 59 0 + 4 e 273 212 etot -7.7712E+01 mv 2 82 102 -141 0 + 4 e 219 218 etot -7.7215E+01 mv 2 82 127 -152 0 + 4 e 280 216 etot -7.8667E+01 mv 2 82 127 -124 0 + 4 e 237 220 etot -8.6395E+01 mv 2 82 127 -91 0 + 4 e 530 154 etot -8.4289E+01 mv 6 82 142 145 0 + 4 e 329 214 etot -7.7292E+01 mv 2 82 102 -28 0 + 4 e 337 203 etot -7.6617E+01 mv 2 82 18 -97 0 + 4 e 299 222 etot -8.4495E+01 mv 2 82 128 -99 0 + 4 e 257 226 etot -7.3878E+01 mv 2 82 155 -143 0 + 4 e 475 187 etot -9.1355E+01 mv 6 82 176 134 0 + 4 e 179 238 etot -9.0761E+01 mv 2 82 191 92 0 + 4 e 560 204 etot -8.5087E+01 mv 2 82 18 -200 0 + 4 e 358 223 etot -6.4446E+01 mv 2 82 128 -166 0 + 4 e 306 229 etot -7.8428E+01 mv 2 82 155 -153 0 + 4 e 234 235 etot -8.6720E+01 mv 2 82 127 -37 0 + 4 e 240 240 etot -9.0761E+01 mv 2 82 191 166 0 + 4 e 364 230 etot -8.4429E+01 mv 2 82 155 -199 0 + 4 e 659 205 etot -9.1338E+01 mv 2 82 18 -29 0 + 4 e 257 231 etot -8.6719E+01 mv 2 82 127 -180 0 + 4 e 378 217 etot -7.2389E+01 mv 2 82 127 -116 0 + 4 e 435 228 etot -5.9650E+01 mv 2 82 155 -186 0 + 4 e 457 206 etot -8.5818E+01 mv 2 82 33 -173 0 + 4 e 459 227 etot -8.2191E+01 mv 2 82 155 -43 0 + 4 e 397 232 etot -8.6716E+01 mv 2 82 127 -75 0 + 4 e 546 219 etot -8.1618E+01 mv 2 82 127 -170 0 + 4 e 506 224 etot -8.0682E+01 mv 2 82 128 -162 0 + 4 e 611 189 etot -7.9340E+01 mv 6 82 176 108 0 + 4 e 284 233 etot -8.6720E+01 mv 2 82 127 -158 0 + 4 e 163 250 etot -8.9187E+01 mv 2 82 197 156 0 + 4 e 432 202 etot -7.7855E+01 mv 2 82 18 -126 0 + 4 e 289 242 etot -7.9032E+01 mv 2 82 101 19 0 + 4 e 400 237 etot -8.3110E+01 mv 2 82 191 -140 0 + 4 e 120 253 etot -6.1751E+01 mv 2 82 37 -156 0 + 4 e 113 260 etot -8.8871E+01 mv 2 82 13 66 0 + 4 e 327 236 etot -7.8739E+01 mv 2 82 191 -132 0 + 4 e 282 249 etot -7.4773E+01 mv 2 82 197 -18 0 + 4 e 288 247 etot -7.3368E+01 mv 2 82 197 187 0 + 4 e 548 208 etot -8.2953E+01 mv 2 82 33 -89 0 + 4 e 306 248 etot -7.3368E+01 mv 2 82 197 32 0 + 4 e 407 245 etot -8.3327E+01 mv 2 82 101 38 0 + 4 e 528 239 etot -8.9600E+01 mv 2 82 191 -73 0 + 4 e 142 264 etot -6.5499E+01 mv 2 82 79 -76 0 + 4 e 621 234 etot -7.9204E+01 mv 2 82 127 -14 0 + 4 e 208 268 etot -8.8574E+01 mv 2 82 59 -68 0 + 4 e 299 254 etot -8.9074E+01 mv 2 82 37 -135 0 + 4 e 191 255 etot -8.9075E+01 mv 2 82 37 75 0 + 4 e 261 261 etot -8.8813E+01 mv 2 82 79 152 0 + 4 e 544 210 etot -9.0335E+01 mv 2 82 33 -57 0 + 4 e 227 269 etot -7.6918E+01 mv 2 82 59 116 0 + 4 e 421 241 etot -9.0120E+01 mv 2 82 101 -196 0 + 4 e 343 257 etot -7.9704E+01 mv 2 82 13 -82 0 + 4 e 466 251 etot -7.9148E+01 mv 2 82 37 171 0 + 4 e 307 265 etot -8.8813E+01 mv 2 82 79 -70 0 + 4 e 159 271 etot -7.8601E+01 mv 2 82 158 -29 0 + 4 e 247 258 etot -8.8870E+01 mv 2 82 13 -105 0 + -1 e 1 291 etot 1.3528E+20 mv 2 82 176 -193 0 + 4 e 430 252 etot -7.8260E+01 mv 2 82 37 57 0 + 4 e 369 246 etot -8.6159E+01 mv 2 82 197 198 0 + 4 e 603 244 etot -8.1731E+01 mv 2 82 101 -163 0 + 4 e 234 266 etot -7.6918E+01 mv 2 82 59 64 0 + 4 e 145 281 etot -8.8215E+01 mv 2 82 150 83 0 + 4 e 464 243 etot -8.6296E+01 mv 2 82 101 -118 0 + 4 e 245 276 etot -8.8224E+01 mv 2 82 142 -109 0 + 4 e 261 275 etot -7.5960E+01 mv 2 82 158 -135 0 + 4 e 412 262 etot -6.4958E+01 mv 2 82 79 -133 0 + 4 e 326 273 etot -7.8030E+01 mv 2 82 158 -20 0 + 4 e 166 285 etot -8.6523E+01 mv 2 82 150 34 0 + 4 e 162 278 etot -8.8225E+01 mv 2 82 142 -9 0 + -1 e 1 304 etot 1.3528E+20 mv 1 82 18 -64 0 + 4 e 479 259 etot -7.9923E+01 mv 2 82 13 167 0 + 4 e 316 277 etot -8.6018E+01 mv 2 82 142 -38 0 + 4 e 510 267 etot -8.3758E+01 mv 2 82 59 -140 0 + 4 e 132 290 etot -8.8116E+01 mv 2 82 4 192 0 + 4 e 162 286 etot -8.8116E+01 mv 2 82 4 56 0 + 4 e 307 279 etot -8.8224E+01 mv 2 82 142 -71 0 + 4 e 412 272 etot -8.1780E+01 mv 2 82 158 -188 0 + -1 e 1 310 etot 1.3528E+20 mv 1 82 33 -161 0 + 4 e 391 256 etot -8.8869E+01 mv 2 82 13 52 0 + 4 e 368 263 etot -7.1029E+01 mv 2 82 79 -188 0 + -1 e 1 314 etot 1.3528E+20 mv 1 82 102 -198 0 + 4 e 126 302 etot -7.4448E+01 mv 1 82 18 -186 0 + 4 e 511 270 etot -8.5855E+01 mv 2 82 59 -58 0 + 4 e 217 303 etot -8.1965E+01 mv 1 82 18 -34 0 + 4 e 344 288 etot -7.4640E+01 mv 2 82 4 -65 0 + 4 e 424 280 etot -8.8223E+01 mv 2 82 142 -194 0 + 4 e 405 283 etot -8.1606E+01 mv 2 82 150 -87 0 + 4 e 340 289 etot -8.8115E+01 mv 2 82 4 168 0 + 4 e 144 307 etot -5.5613E+01 mv 1 82 33 -187 0 + 4 e 316 282 etot -8.2463E+01 mv 2 82 150 28 0 + 4 e 232 294 etot -8.7890E+01 mv 2 82 176 -162 0 + 4 e 439 274 etot -7.5075E+01 mv 2 82 158 -69 0 + 4 e 166 316 etot -8.5332E+01 mv 1 82 127 -160 0 f 21 292.9 0.5 + 4 e 381 297 etot -8.3262E+01 mv 2 82 45 119 0 + -1 e 1 328 etot 1.3528E+20 mv 1 82 155 -5 0 + 4 e 483 287 etot -8.2319E+01 mv 2 82 4 139 0 + 4 e 356 301 etot -8.7967E+01 mv 1 82 18 -172 0 + 4 e 440 293 etot -8.7889E+01 mv 2 82 176 -122 0 + -1 e 1 333 etot 1.3528E+20 mv 1 82 127 -6 0 + 4 e 457 295 etot -7.8716E+01 mv 2 82 176 -169 0 + 4 e 305 308 etot -9.0348E+01 mv 1 82 33 -85 0 + 4 e 349 292 etot -9.1400E+01 mv 2 82 176 -43 0 + 4 e 428 300 etot -7.3110E+01 mv 2 82 45 -3 0 + 4 e 201 324 etot -7.4699E+01 mv 1 82 128 -11 0 + 4 e 494 299 etot -8.1698E+01 mv 2 82 45 48 0 + 4 e 259 321 etot -8.6048E+01 mv 1 82 128 -102 0 + 4 e 266 323 etot -8.2812E+01 mv 1 82 128 -60 0 + 4 e 283 320 etot -8.6423E+01 mv 1 82 127 -3 0 + 4 e 416 312 etot -7.9551E+01 mv 1 82 102 -112 0 + 4 e 410 298 etot -8.7826E+01 mv 2 82 45 197 0 + 4 e 145 330 etot -8.5279E+01 mv 1 82 155 -137 0 c 155 1.4 0.0 + 4 e 328 315 etot -8.6314E+01 mv 1 82 102 -3 0 + 4 e 206 326 etot -8.5279E+01 mv 1 82 155 -9 0 + 4 e 590 306 etot -9.0336E+01 mv 1 82 33 -163 0 + 4 e 231 334 etot -8.6719E+01 mv 1 82 127 41 0 + 4 e 222 336 etot -9.0761E+01 mv 1 82 191 94 0 + 4 e 366 313 etot -8.7101E+01 mv 1 82 102 -144 0 + 4 e 532 311 etot -8.0375E+01 mv 1 82 102 -162 0 + 4 e 432 305 etot -8.6739E+01 mv 1 82 18 -88 0 + -1 e 1 354 etot 1.3528E+20 mv 1 82 37 -3 0 + 4 e 259 325 etot -8.4459E+01 mv 1 82 128 -37 0 + 4 e 198 340 etot -9.0761E+01 mv 1 82 191 42 0 + 4 e 245 339 etot -6.9324E+01 mv 1 82 191 -100 0 + 4 e 464 319 etot -8.6195E+01 mv 1 82 127 -43 0 + 4 e 401 309 etot -8.5984E+01 mv 1 82 33 -166 0 + 4 e 259 338 etot -9.0760E+01 mv 1 82 191 155 0 + 4 e 578 317 etot -8.3447E+01 mv 1 82 127 -128 0 + 4 e 338 331 etot -8.6719E+01 mv 1 82 127 -20 0 + 4 e 539 318 etot -7.9023E+01 mv 1 82 127 -109 0 + 4 e 484 322 etot -7.9366E+01 mv 1 82 128 -179 0 + 4 e 553 296 etot -8.7212E+01 mv 2 82 45 -92 0 + 4 e 631 284 etot -7.8461E+01 mv 2 82 150 -106 0 + 4 e 320 335 etot -8.8812E+01 mv 1 82 127 190 0 + 4 e 220 337 etot -9.0704E+01 mv 1 82 191 106 0 + 4 e 283 341 etot -7.2142E+01 mv 1 82 101 171 0 + 4 e 415 329 etot -8.0559E+01 mv 1 82 155 -150 0 + 4 e 297 342 etot -8.7415E+01 mv 1 82 101 67 0 + 4 e 132 364 etot -7.4552E+01 mv 1 82 79 32 0 + 4 e 241 349 etot -8.7743E+01 mv 1 82 197 140 0 + 4 e 367 344 etot -8.8753E+01 mv 1 82 101 180 0 + 4 e 242 345 etot -9.0193E+01 mv 1 82 101 83 0 + 4 e 426 327 etot -7.3195E+01 mv 1 82 155 -39 0 + 4 e 307 351 etot -8.9074E+01 mv 1 82 37 -126 0 + 4 e 210 368 etot -8.8154E+01 mv 1 82 59 -105 0 + 4 e 475 343 etot -8.7414E+01 mv 1 82 101 -90 0 + 4 e 296 358 etot -7.0767E+01 mv 1 82 13 3 0 + 4 e 261 365 etot -8.8558E+01 mv 1 82 79 117 0 + 4 e 284 348 etot -8.9187E+01 mv 1 82 197 169 0 + 4 e 252 370 etot -8.8574E+01 mv 1 82 59 147 0 + 4 e 327 359 etot -8.8871E+01 mv 1 82 13 29 0 + 4 e 207 373 etot -8.8483E+01 mv 1 82 158 174 0 + 4 e 419 353 etot -8.7582E+01 mv 1 82 37 154 0 + -1 e 1 387 etot 1.3528E+20 mv 1 82 4 -11 0 + 4 e 433 350 etot -8.7517E+01 mv 1 82 197 -189 0 + 4 e 245 369 etot -8.8154E+01 mv 1 82 59 88 0 + 4 e 305 356 etot -8.1699E+01 mv 1 82 13 -169 0 + 4 e 167 378 etot -8.8225E+01 mv 1 82 142 197 0 + 4 e 351 362 etot -8.0085E+01 mv 1 82 79 73 0 + 4 e 285 374 etot -8.6948E+01 mv 1 82 158 -45 0 + 4 e 348 372 etot -8.6189E+01 mv 1 82 158 135 0 + 4 e 164 381 etot -8.8215E+01 mv 1 82 150 -171 0 + 4 e 141 385 etot -8.8062E+01 mv 1 82 150 -164 0 + 4 e 339 355 etot -8.5959E+01 mv 1 82 37 -82 0 + 4 e 304 367 etot -8.3364E+01 mv 1 82 59 -96 0 + 4 e 415 371 etot -8.7313E+01 mv 1 82 158 -139 0 + 4 e 488 363 etot -7.5290E+01 mv 1 82 79 103 0 + 4 e 504 361 etot -8.5263E+01 mv 1 82 79 93 0 + 4 e 365 366 etot -8.8573E+01 mv 1 82 59 -155 0 + 4 e 268 382 etot -7.8234E+01 mv 1 82 150 -39 0 + 4 e 400 360 etot -7.4607E+01 mv 1 82 13 133 0 + 4 e 206 389 etot -8.7920E+01 mv 1 82 4 -17 0 + 4 e 87 401 etot -8.8954E+01 mv 0 82 18 0 0 c 18 0.8 0.0 + 4 e 303 380 etot -8.8224E+01 mv 1 82 142 -90 0 + 4 e 2 408 etot -9.0761E+01 mv 0 82 191 0 0 + 4 e 613 357 etot -8.1706E+01 mv 1 82 13 78 0 + 4 e 2 409 etot -9.0194E+01 mv 0 82 101 0 0 + 4 e 2 410 etot -8.9188E+01 mv 0 82 197 0 0 + 4 e 2 411 etot -8.9075E+01 mv 0 82 37 0 0 + 4 e 2 412 etot -8.8871E+01 mv 0 82 13 0 0 + 4 e 77 402 etot -9.0349E+01 mv 0 82 33 0 0 c 33 0.8 0.0 + 4 e 2 414 etot -8.8574E+01 mv 0 82 59 0 0 + 4 e 2 415 etot -8.8483E+01 mv 0 82 158 0 0 + 4 e 2 416 etot -8.8225E+01 mv 0 82 142 0 0 + 4 e 12 417 etot -8.8216E+01 mv 0 82 150 0 0 + 4 e 242 388 etot -8.8115E+01 mv 1 82 4 57 0 +## N0 total= 22 close= 8 far= 0 %acc 36.4 +## N1 total= 98 close= 2 far= 1 %acc 3.1 +## N2 total= 100 close= 2 far= 0 %acc 2.0 +## N3 total= 0 close= 0 far= 0 %acc 0.0 +## N4 total= 0 close= 0 far= 0 %acc 0.0 +## N5 total= 0 close= 0 far= 0 %acc 0.0 +## N6 total= 200 close= 11 far= 0 %acc 5.5 +## N7 total= 0 close= 0 far= 0 %acc 0.0 +## N8 total= 0 close= 0 far= 0 %acc 0.0 +## N9 total= 0 close= 0 far= 0 %acc 0.0 +##N10 total= 0 close= 0 far= 0 %acc 0.0 +##N11 total= 0 close= 0 far= 0 %acc 0.0 +##N12 total= 0 close= 0 far= 0 %acc 0.0 +##N13 total= 0 close= 0 far= 0 %acc 0.0 +##N14 total= 0 close= 0 far= 0 %acc 0.0 +##N15 total= 0 close= 0 far= 0 %acc 0.0 +##N16 total= 0 close= 0 far= 0 %acc 0.0 +##N17 total= 0 close= 0 far= 0 %acc 0.0 +##N18 total= 0 close= 0 far= 0 %acc 0.0 + Time for refresh 83 0.44 + make_var : nseed= 20 ntry= 420 + Time for make trial 84 0.11 +Nonsetup time 175.74 sec, Eval/s = 58358.24 +Time for iter 84 2.02 sec, Eval/s = 59503.69 + UPDATING 420 + 4 e 275 404 etot -8.6720E+01 mv 0 82 127 0 0 + 4 e 40 413 etot -8.8814E+01 mv 0 82 79 0 0 + 4 e 498 384 etot -6.7313E+01 mv 1 82 150 -156 0 + 4 e 445 393 etot -8.7888E+01 mv 1 82 176 -2 0 + 4 e 275 407 etot -8.6720E+01 mv 0 82 127 0 0 + 4 e 78 406 etot -8.5279E+01 mv 0 82 155 0 0 c 155 0.9 0.0 + 4 e 473 379 etot -8.8223E+01 mv 1 82 142 66 0 + 9 e 1000 332 etot -8.1861E+01 mv 1 82 127 -195 0 + 4 e 431 394 etot -8.7889E+01 mv 1 82 176 122 0 + 4 e 2 419 etot -8.7891E+01 mv 0 82 176 0 0 + 4 e 541 386 etot -7.7984E+01 mv 1 82 4 -139 0 + 4 e 536 375 etot -8.7660E+01 mv 1 82 158 -162 0 + 4 e 296 400 etot -8.7827E+01 mv 1 82 45 95 0 + 4 e 682 397 etot -8.6288E+01 mv 1 82 45 194 0 + 4 e 273 396 etot -8.7827E+01 mv 1 82 45 -107 0 + 4 e 77 418 etot -8.8116E+01 mv 0 82 4 0 0 + 4 e 256 392 etot -8.7890E+01 mv 1 82 176 -37 0 + 4 e 191 395 etot -8.5157E+01 mv 1 82 176 -102 0 + 4 e 16 420 etot -8.7827E+01 mv 0 82 45 0 0 + 4 e 431 376 etot -8.2969E+01 mv 1 82 142 9 0 + 4 e 366 383 etot -7.3692E+01 mv 1 82 150 82 0 + 4 e 533 347 etot -7.5758E+01 mv 1 82 197 -6 0 + -1 e 1 14 etot 1.3528E+20 mv 6 83 21 177 0 + -1 e 1 16 etot 1.3528E+20 mv 6 83 21 166 0 + 4 e 532 391 etot -7.8761E+01 mv 1 82 176 107 0 + 4 e 529 377 etot -8.4082E+01 mv 1 82 142 96 0 + 4 e 282 390 etot -8.8115E+01 mv 1 82 4 96 0 + 4 e 585 346 etot -8.9186E+01 mv 1 82 197 106 0 + 4 e 87 405 etot -8.6048E+01 mv 0 82 128 0 0 c 128 1.7 0.0 + -1 e 1 22 etot 1.3528E+20 mv 6 83 79 124 0 + -1 e 1 23 etot 1.3528E+20 mv 6 83 79 130 0 + -1 e 1 24 etot 1.3528E+20 mv 6 83 79 41 0 + 4 e 180 403 etot -8.7259E+01 mv 0 82 102 0 0 + 4 e 264 398 etot -7.5965E+01 mv 1 82 45 -74 0 + 4 e 570 352 etot -8.5356E+01 mv 1 82 37 -56 0 + 4 e 448 399 etot -8.7825E+01 mv 1 82 45 -25 0 + 8 e 113 34 etot -6.3985E+01 mv 6 83 127 94 0 + -1 e 1 37 etot 1.3528E+20 mv 6 83 127 107 0 + 4 e 135 15 etot -7.5816E+01 mv 6 83 21 129 0 + 4 e 187 9 etot -7.4140E+01 mv 6 83 7 132 0 + 4 e 200 1 etot -8.8779E+01 mv 6 83 7 106 0 c 7 1.4 0.0 + 4 e 216 30 etot -8.9030E+01 mv 6 83 79 117 0 c 79 54.4 0.1 + 4 e 240 32 etot -7.4126E+01 mv 6 83 127 122 0 + 4 e 239 31 etot -8.7637E+01 mv 6 83 127 77 0 + 4 e 249 3 etot -8.8779E+01 mv 6 83 7 146 0 + 4 e 248 26 etot -8.3475E+01 mv 6 83 79 146 0 + 4 e 18 43 etot -8.5120E+01 mv 6 83 51 72 0 c 72 0.0 0.0 + 4 e 289 29 etot -8.9096E+01 mv 6 83 79 57 0 + 4 e 291 19 etot 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437 28 etot -8.6180E+01 mv 6 83 79 66 0 + 4 e 392 33 etot -8.4257E+01 mv 6 83 127 129 0 + 4 e 189 44 etot -7.4348E+01 mv 6 83 51 135 0 + 4 e 472 5 etot -8.0202E+01 mv 6 83 7 158 0 + 4 e 280 25 etot -8.9030E+01 mv 6 83 79 134 0 + 4 e 226 53 etot -9.0761E+01 mv 6 83 191 142 0 + 4 e 184 42 etot -7.5106E+01 mv 6 83 51 6 0 + 4 e 576 7 etot -8.4702E+01 mv 6 83 7 160 0 + 4 e 509 13 etot -8.0502E+01 mv 6 83 21 131 0 + 4 e 185 56 etot -9.0436E+01 mv 6 83 191 114 0 + 4 e 2 78 etot -8.7959E+01 mv 6 83 106 137 0 + 4 e 169 66 etot -8.2901E+01 mv 6 83 33 44 0 + 4 e 168 69 etot -9.2490E+01 mv 6 83 33 17 0 + 4 e 297 46 etot -7.9790E+01 mv 6 83 51 171 0 + -1 e 1 83 etot 4.2260E+28 mv 6 83 66 112 0 + 4 e 418 39 etot -8.3861E+01 mv 6 83 127 180 0 + 4 e 352 49 etot -7.9343E+01 mv 6 83 51 41 0 + 4 e 263 67 etot -9.0105E+01 mv 6 83 33 3 0 + -1 e 1 86 etot 1.3528E+20 mv 6 83 66 92 0 + -1 e 1 88 etot 1.3528E+20 mv 6 83 66 7 0 + 4 e 500 45 etot -8.5237E+01 mv 6 83 51 88 0 + 4 e 279 55 etot -8.1291E+01 mv 6 83 191 82 0 + 4 e 305 65 etot -9.2486E+01 mv 6 83 33 133 0 + 4 e 257 58 etot -8.4255E+01 mv 6 83 191 5 0 + 4 e 247 62 etot -9.0348E+01 mv 6 83 33 163 0 + 4 e 260 73 etot -7.4325E+01 mv 6 83 106 122 0 + 4 e 180 75 etot -8.4133E+01 mv 6 83 106 44 0 + 4 e 441 40 etot -7.7205E+01 mv 6 83 127 113 0 + 4 e 483 52 etot -8.5083E+01 mv 6 83 191 124 0 + 4 e 660 10 etot -8.0483E+01 mv 6 83 7 42 0 + 4 e 302 60 etot -9.0746E+01 mv 6 83 191 187 0 + 4 e 262 70 etot -8.5475E+01 mv 6 83 33 36 0 + 4 e 429 48 etot -7.6363E+01 mv 6 83 51 158 0 + 4 e 227 85 etot -8.4962E+01 mv 6 83 66 93 0 + 4 e 374 63 etot -9.2431E+01 mv 6 83 33 182 0 + 4 e 429 57 etot -9.0324E+01 mv 6 83 191 174 0 + 4 e 202 79 etot -8.9864E+01 mv 6 83 106 178 0 + 4 e 157 74 etot -6.9137E+01 mv 6 83 106 16 0 + -1 e 1 106 etot 1.3528E+20 mv 6 83 37 134 0 + 4 e 347 77 etot -8.7083E+01 mv 6 83 106 133 0 + 4 e 177 96 etot -7.6377E+01 mv 6 83 197 53 0 + 4 e 272 89 etot -7.7195E+01 mv 6 83 66 171 0 + 4 e 217 93 etot -8.5320E+01 mv 6 83 197 41 0 + 4 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4 e 503 98 etot -8.9185E+01 mv 6 83 197 2 0 + 4 e 267 104 etot -7.7724E+01 mv 6 83 37 81 0 + -1 e 1 135 etot 1.3528E+20 mv 6 83 158 6 0 + 4 e 715 81 etot -9.0499E+01 mv 6 83 66 18 0 + 4 e 455 84 etot -8.7147E+01 mv 6 83 66 77 0 + 4 e 322 115 etot -8.8166E+01 mv 6 83 13 159 0 + -1 e 1 139 etot 1.3528E+20 mv 6 83 158 36 0 + -1 e 1 138 etot 1.3528E+20 mv 6 83 158 74 0 + 4 e 649 87 etot -9.1337E+01 mv 6 83 66 74 0 + -1 e 1 142 etot 1.3528E+20 mv 6 83 142 106 0 + 4 e 253 118 etot -8.8167E+01 mv 6 83 13 115 0 + 4 e 356 113 etot -7.3716E+01 mv 6 83 13 159 0 + 4 e 264 120 etot -7.4608E+01 mv 6 83 13 160 0 + 4 e 536 99 etot -8.8221E+01 mv 6 83 197 37 0 + 4 e 205 126 etot -8.8574E+01 mv 6 83 59 137 0 + -1 e 1 148 etot 1.3528E+20 mv 6 83 142 35 0 + 4 e 217 119 etot -8.8871E+01 mv 6 83 13 198 0 + 4 e 486 105 etot -8.7047E+01 mv 6 83 37 61 0 c 60 186.0 1.0 + 4 e 490 110 etot -8.4554E+01 mv 6 83 37 124 0 + 4 e 453 116 etot -8.2410E+01 mv 6 83 13 110 0 + 4 e 381 100 etot -7.0562E+01 mv 6 83 197 19 0 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-8.8482E+01 mv 6 83 158 155 0 + 4 e 305 153 etot -7.2283E+01 mv 6 83 122 119 0 + 4 e 298 141 etot -9.2233E+01 mv 6 83 142 20 0 + 4 e 303 136 etot -8.4183E+01 mv 6 83 158 134 0 + 4 e 277 155 etot -8.2327E+01 mv 6 83 122 120 0 + 4 e 338 151 etot -8.8753E+01 mv 6 83 122 26 0 + 4 e 166 129 etot -8.8215E+01 mv 6 83 59 150 0 + 4 e 209 158 etot -8.7939E+01 mv 6 83 122 191 0 + 4 e 348 152 etot -8.4454E+01 mv 6 83 122 143 0 + 4 e 591 128 etot -7.6202E+01 mv 6 83 59 93 0 + 4 e 316 157 etot -9.0192E+01 mv 6 83 122 189 0 + 4 e 212 166 etot -8.7772E+01 mv 6 83 150 68 0 + 4 e 444 123 etot -7.7182E+01 mv 6 83 59 129 0 + 4 e 489 147 etot -8.8223E+01 mv 6 83 142 60 0 + 4 e 272 165 etot -8.7771E+01 mv 6 83 150 85 0 + 4 e 192 169 etot -8.6976E+01 mv 6 83 150 105 0 + -1 e 1 190 etot 1.3528E+20 mv 6 83 4 153 0 + -1 e 1 191 etot 1.3528E+20 mv 6 83 137 94 0 + 4 e 412 132 etot -8.2905E+01 mv 6 83 158 143 0 + 4 e 185 182 etot -8.9133E+01 mv 6 83 4 116 0 + -1 e 1 194 etot 1.3528E+20 mv 6 83 137 51 0 + 4 e 234 175 etot -8.8104E+01 mv 6 83 74 132 0 + -1 e 1 196 etot 1.3528E+20 mv 6 83 137 194 0 + 4 e 238 174 etot -8.8147E+01 mv 6 83 74 125 0 + 4 e 205 164 etot -8.7772E+01 mv 6 83 150 14 0 + 4 e 288 124 etot -8.7634E+01 mv 6 83 59 194 0 + -1 e 1 200 etot 1.3528E+20 mv 6 83 137 21 0 + 4 e 405 159 etot -7.8482E+01 mv 6 83 122 127 0 + 4 e 274 172 etot -8.5169E+01 mv 6 83 74 163 0 + 4 e 162 178 etot -8.4906E+01 mv 6 83 74 22 0 + 4 e 262 179 etot -7.0556E+01 mv 6 83 74 165 0 + 4 e 366 170 etot -8.0966E+01 mv 6 83 150 88 0 + 4 e 338 156 etot -8.8009E+01 mv 6 83 122 47 0 + 4 e 395 167 etot -7.8476E+01 mv 6 83 150 108 0 + 4 e 433 162 etot -8.2260E+01 mv 6 83 150 83 0 + 4 e 370 154 etot -8.3921E+01 mv 6 83 122 60 0 + 4 e 333 173 etot -8.5987E+01 mv 6 83 74 78 0 + 4 e 326 176 etot -8.9526E+01 mv 6 83 74 195 0 + 4 e 255 171 etot -8.4919E+01 mv 6 83 74 177 0 + 4 e 334 180 etot -7.2601E+01 mv 6 83 74 98 0 + 4 e 209 188 etot -8.8116E+01 mv 6 83 4 174 0 + -1 e 1 215 etot 1.3528E+20 mv 2 83 79 -18 0 + 4 e 509 163 etot -8.3677E+01 mv 6 83 150 74 0 + -1 e 1 217 etot 1.3528E+20 mv 2 83 127 -68 0 + -1 e 1 218 etot 1.3528E+20 mv 2 83 127 -72 0 + 4 e 367 184 etot -8.8114E+01 mv 6 83 4 88 0 + 4 e 144 209 etot -6.3967E+01 mv 2 83 21 -33 0 + 4 e 286 189 etot -8.6930E+01 mv 6 83 4 117 0 + 4 e 428 183 etot -8.0834E+01 mv 6 83 4 16 0 + 4 e 391 185 etot -8.6703E+01 mv 6 83 4 5 0 + 4 e 567 150 etot -8.0865E+01 mv 6 83 142 110 0 + 4 e 331 177 etot -8.7945E+01 mv 6 83 74 107 0 + 4 e 268 197 etot -8.7272E+01 mv 6 83 137 195 0 + 4 e 223 187 etot -8.8069E+01 mv 6 83 4 115 0 + 4 e 310 195 etot -8.7958E+01 mv 6 83 137 83 0 + 4 e 272 205 etot -7.3770E+01 mv 2 83 7 -196 0 + 4 e 322 181 etot -8.0600E+01 mv 6 83 4 186 0 + 4 e 362 202 etot -6.9089E+01 mv 2 83 7 -8 0 + 4 e 373 198 etot -8.2296E+01 mv 6 83 137 186 0 + 4 e 252 199 etot -8.7958E+01 mv 6 83 137 200 0 + 4 e 284 216 etot -7.7406E+01 mv 2 83 127 -68 0 + 4 e 325 214 etot -7.4923E+01 mv 2 83 79 -112 0 + 4 e 314 192 etot -8.5931E+01 mv 6 83 137 81 0 + 4 e 595 186 etot -8.8777E+01 mv 6 83 4 21 0 + 4 e 198 227 etot -9.0761E+01 mv 2 83 191 16 0 + 4 e 386 211 etot -8.2877E+01 mv 2 83 79 -179 0 + 4 e 288 221 etot -7.3218E+01 mv 2 83 51 115 0 + 4 e 388 212 etot -7.4690E+01 mv 2 83 79 -111 0 + 4 e 484 203 etot -7.9245E+01 mv 2 83 7 -3 0 + 4 e 262 224 etot -8.5628E+01 mv 2 83 51 -116 0 + 4 e 134 233 etot -9.0349E+01 mv 2 83 33 95 0 + 4 e 456 208 etot -8.2452E+01 mv 2 83 21 -46 0 + 4 e 322 220 etot -8.7637E+01 mv 2 83 127 -52 0 + 4 e 307 223 etot -7.6483E+01 mv 2 83 51 97 0 + 4 e 364 204 etot -7.0368E+01 mv 2 83 7 -49 0 + 8 e 93 240 etot -6.3985E+01 mv 2 83 106 -173 0 + 4 e 283 229 etot -8.4101E+01 mv 2 83 191 183 0 + 4 e 392 193 etot -7.6695E+01 mv 6 83 137 146 0 + 4 e 449 219 etot -8.7447E+01 mv 2 83 127 -122 0 + 4 e 573 206 etot -7.7859E+01 mv 2 83 21 -98 0 + 4 e 164 234 etot -9.0349E+01 mv 2 83 33 -134 0 + 4 e 135 237 etot -6.9469E+01 mv 2 83 106 78 0 + 4 e 273 225 etot -7.6049E+01 mv 2 83 51 -151 0 + 4 e 459 201 etot -7.0878E+01 mv 2 83 7 -119 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mv 2 83 158 62 0 + 4 e 312 257 etot -8.8871E+01 mv 2 83 13 -133 0 + 4 e 264 277 etot -7.8422E+01 mv 2 83 122 -14 0 + -1 e 1 302 etot 1.3528E+20 mv 1 83 7 -118 0 + 4 e 398 266 etot -8.1418E+01 mv 2 83 158 74 0 + 4 e 300 275 etot -8.8224E+01 mv 2 83 142 22 0 + 4 e 228 270 etot -8.8483E+01 mv 2 83 158 18 0 + 4 e 215 274 etot -7.5935E+01 mv 2 83 142 -105 0 + 4 e 362 252 etot -7.3758E+01 mv 2 83 37 154 0 + 4 e 229 279 etot -8.8240E+01 mv 2 83 122 186 0 + -1 e 1 309 etot 1.3528E+20 mv 1 83 21 -99 0 + 4 e 664 242 etot -8.1542E+01 mv 2 83 66 35 0 + 4 e 151 285 etot -8.8215E+01 mv 2 83 150 44 0 + 4 e 366 258 etot -8.3664E+01 mv 2 83 13 -115 0 + 4 e 298 284 etot -7.9817E+01 mv 2 83 150 -93 0 + 4 e 209 282 etot -7.1256E+01 mv 2 83 150 -55 0 + 4 e 236 288 etot -8.8147E+01 mv 2 83 74 189 0 + 4 e 382 281 etot -7.6789E+01 mv 2 83 150 -165 0 + 4 e 498 276 etot -8.0196E+01 mv 2 83 122 156 0 + 4 e 235 292 etot -7.7385E+01 mv 2 83 4 16 0 + 4 e 530 273 etot -7.8949E+01 mv 2 83 142 -103 0 + 4 e 140 307 etot -6.8007E+01 mv 1 83 21 -11 0 + 4 e 174 289 etot -8.8147E+01 mv 2 83 74 -7 0 + 4 e 221 304 etot -6.8370E+01 mv 1 83 7 -167 0 + 4 e 234 298 etot -8.7959E+01 mv 2 83 137 -153 0 + 4 e 245 305 etot -8.8406E+01 mv 1 83 7 -132 0 + 4 e 302 286 etot -8.8103E+01 mv 2 83 74 65 0 + 4 e 259 303 etot -6.5728E+01 mv 1 83 7 -89 0 + 4 e 616 272 etot -8.6012E+01 mv 2 83 142 50 0 + 4 e 202 300 etot -8.7959E+01 mv 2 83 137 -62 0 + 4 e 253 311 etot -8.8950E+01 mv 1 83 79 -103 0 + 4 e 337 290 etot -8.8146E+01 mv 2 83 74 115 0 + 4 e 368 291 etot -8.8115E+01 mv 2 83 4 75 0 + 4 e 373 299 etot -8.7958E+01 mv 2 83 137 -18 0 + 4 e 270 314 etot -8.8127E+01 mv 1 83 79 -69 0 + 4 e 128 322 etot -8.5570E+01 mv 1 83 51 -34 0 + 4 e 185 324 etot -8.4655E+01 mv 1 83 51 -39 0 + 4 e 191 323 etot -8.5628E+01 mv 1 83 51 194 0 + 4 e 391 310 etot -7.0391E+01 mv 1 83 21 -182 0 + 4 e 599 261 etot -8.6115E+01 mv 2 83 59 -49 0 + 4 e 165 321 etot -8.5629E+01 mv 1 83 51 -127 0 + 4 e 207 327 etot -9.0761E+01 mv 1 83 191 -89 0 + 4 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343 etot -8.9261E+01 mv 1 83 66 -4 0 + 4 e 245 344 etot -8.7530E+01 mv 1 83 66 -2 0 + 4 e 337 329 etot -8.0798E+01 mv 1 83 191 52 0 + 4 e 251 335 etot -9.0105E+01 mv 1 83 33 94 0 + 4 e 449 332 etot -8.5424E+01 mv 1 83 33 179 0 + 4 e 407 334 etot -7.4315E+01 mv 1 83 33 -67 0 + 4 e 292 345 etot -8.0774E+01 mv 1 83 66 -109 0 + 4 e 196 355 etot -8.9074E+01 mv 1 83 37 -199 0 + 4 e 402 337 etot -7.0839E+01 mv 1 83 106 -177 0 + 4 e 574 325 etot -8.0968E+01 mv 1 83 51 -18 0 + 4 e 471 333 etot -9.0347E+01 mv 1 83 33 80 0 + 4 e 258 339 etot -8.9730E+01 mv 1 83 106 -35 0 + 4 e 212 357 etot -8.8871E+01 mv 1 83 13 -107 0 + 4 e 342 347 etot -8.9187E+01 mv 1 83 197 43 0 + 4 e 212 348 etot -8.7743E+01 mv 1 83 197 -110 0 + 4 e 615 306 etot -8.7584E+01 mv 1 83 21 -186 0 + 4 e 409 342 etot -8.6795E+01 mv 1 83 66 -128 0 + 4 e 302 354 etot -8.9073E+01 mv 1 83 37 -168 0 + 4 e 322 353 etot -8.9073E+01 mv 1 83 37 -141 0 + 4 e 572 313 etot -8.8767E+01 mv 1 83 79 -105 0 + 4 e 135 368 etot -8.8483E+01 mv 1 83 158 -32 0 + 4 e 258 362 etot -8.8573E+01 mv 1 83 59 -93 0 + 4 e 543 336 etot -9.0151E+01 mv 1 83 106 -78 0 + -1 e 1 384 etot 1.3528E+20 mv 1 83 150 194 0 + 4 e 215 363 etot -8.8574E+01 mv 1 83 59 -129 0 + 4 e 508 341 etot -8.6762E+01 mv 1 83 66 28 0 + 4 e 228 358 etot -8.8871E+01 mv 1 83 13 9 0 + -1 e 1 388 etot 1.3528E+20 mv 1 83 74 -63 0 + 4 e 151 374 etot -7.2364E+01 mv 1 83 142 -125 0 + 4 e 308 361 etot -8.3145E+01 mv 1 83 59 189 0 + 4 e 407 340 etot -9.0152E+01 mv 1 83 106 120 0 + 4 e 640 315 etot -8.1291E+01 mv 1 83 79 -26 0 + 4 e 268 370 etot -8.8483E+01 mv 1 83 158 14 0 + 4 e 400 359 etot -8.8870E+01 mv 1 83 13 85 0 + 4 e 291 367 etot -8.8483E+01 mv 1 83 158 178 0 + 4 e 142 383 etot -8.8215E+01 mv 1 83 150 33 0 + 4 e 288 360 etot -8.1699E+01 mv 1 83 13 168 0 + 4 e 307 372 etot -8.0902E+01 mv 1 83 142 -179 0 + 4 e 566 351 etot -7.8019E+01 mv 1 83 37 165 0 + 4 e 306 375 etot -8.8224E+01 mv 1 83 142 92 0 + 4 e 392 366 etot -7.8688E+01 mv 1 83 158 -57 0 + 4 e 373 369 etot -8.8481E+01 mv 1 83 158 -27 0 + 4 e 303 378 etot -8.8239E+01 mv 1 83 122 25 0 + 4 e 230 386 etot -8.8147E+01 mv 1 83 74 92 0 + 4 e 18 405 etot -8.5629E+01 mv 0 83 51 0 0 c 51 0.0 0.0 + 4 e 2 406 etot -9.0761E+01 mv 0 83 191 0 0 + 4 e 415 371 etot -8.6233E+01 mv 1 83 142 -100 0 + 4 e 12 408 etot -9.0153E+01 mv 0 83 106 0 0 c 106 0.0 0.0 + 4 e 2 409 etot -8.9261E+01 mv 0 83 66 0 0 + 4 e 2 410 etot -8.9188E+01 mv 0 83 197 0 0 + 4 e 2 411 etot -8.9075E+01 mv 0 83 37 0 0 + 4 e 2 412 etot -8.8871E+01 mv 0 83 13 0 0 + 4 e 165 395 etot -8.8116E+01 mv 1 83 4 37 0 + 4 e 2 413 etot -8.8574E+01 mv 0 83 59 0 0 + 4 e 2 414 etot -8.8483E+01 mv 0 83 158 0 0 + 4 e 2 415 etot -8.8225E+01 mv 0 83 142 0 0 + 4 e 224 381 etot -8.6763E+01 mv 1 83 150 -50 0 + 4 e 2 418 etot -8.8147E+01 mv 0 83 74 0 0 + 4 e 12 416 etot -8.8240E+01 mv 0 83 122 0 0 c 122 0.0 0.0 +## N0 total= 21 close= 5 far= 0 %acc 23.8 +## N1 total= 99 close= 1 far= 1 %acc 2.0 +## N2 total= 100 close= 0 far= 0 %acc 0.0 +## N3 total= 0 close= 0 far= 0 %acc 0.0 +## N4 total= 0 close= 0 far= 0 %acc 0.0 +## N5 total= 0 close= 0 far= 0 %acc 0.0 +## N6 total= 200 close= 9 far= 0 %acc 4.5 +## N7 total= 0 close= 0 far= 0 %acc 0.0 +## N8 total= 0 close= 0 far= 0 %acc 0.0 +## N9 total= 0 close= 0 far= 0 %acc 0.0 +##N10 total= 0 close= 0 far= 0 %acc 0.0 +##N11 total= 0 close= 0 far= 0 %acc 0.0 +##N12 total= 0 close= 0 far= 0 %acc 0.0 +##N13 total= 0 close= 0 far= 0 %acc 0.0 +##N14 total= 0 close= 0 far= 0 %acc 0.0 +##N15 total= 0 close= 0 far= 0 %acc 0.0 +##N16 total= 0 close= 0 far= 0 %acc 0.0 +##N17 total= 0 close= 0 far= 0 %acc 0.0 +##N18 total= 0 close= 0 far= 0 %acc 0.0 + Time for refresh 84 1.13 + make_var : nseed= 20 ntry= 420 + Time for make trial 85 0.33 +Nonsetup time 178.75 sec, Eval/s = 58060.86 +Time for iter 85 3.01 sec, Eval/s = 40708.65 + UPDATING 420 + 4 e 299 390 etot -8.8147E+01 mv 1 83 74 -141 0 + 4 e 12 417 etot -8.8216E+01 mv 0 83 150 0 0 c 150 0.0 0.0 + 4 e 307 391 etot -8.8068E+01 mv 1 83 4 -18 0 + 4 e 144 404 etot -8.7638E+01 mv 0 83 127 0 0 c 127 0.9 0.0 + 4 e 351 400 etot -7.8954E+01 mv 1 83 137 -38 0 + 4 e 210 396 etot -8.6015E+01 mv 1 83 137 152 0 + 4 e 134 403 etot -8.8950E+01 mv 0 83 79 0 0 + 4 e 2 420 etot -8.7959E+01 mv 0 83 137 0 0 + 4 e 307 387 etot -8.8146E+01 mv 1 83 74 55 0 + 4 e 405 379 etot -8.8752E+01 mv 1 83 122 -130 0 + 4 e 47 407 etot -9.0349E+01 mv 0 83 33 0 0 c 33 0.2 0.0 + 4 e 365 385 etot -8.8215E+01 mv 1 83 150 106 0 + 4 e 364 382 etot -7.6808E+01 mv 1 83 150 -179 0 + 4 e 695 402 etot -8.8779E+01 mv 0 83 21 0 0 + 4 e 277 397 etot -8.3431E+01 mv 1 83 137 -155 0 + 4 e 584 399 etot -8.8255E+01 mv 1 83 137 19 0 + 4 e 649 380 etot -8.3384E+01 mv 1 83 122 -5 0 + -1 e 1 9 etot 1.3528E+20 mv 6 84 18 139 0 + 4 e 346 394 etot -8.8115E+01 mv 1 83 4 -107 0 + 4 e 97 401 etot -8.8779E+01 mv 0 83 7 0 0 c 7 0.9 0.0 + 4 e 220 393 etot -8.8069E+01 mv 1 83 4 155 0 + 4 e 12 419 etot -8.8116E+01 mv 0 83 4 0 0 c 4 0.0 0.0 + -1 e 1 10 etot 1.3528E+20 mv 6 84 18 142 0 + 4 e 273 392 etot -8.8115E+01 mv 1 83 4 183 0 + 4 e 396 373 etot -8.4278E+01 mv 1 83 142 -149 0 + 4 e 525 364 etot -8.6995E+01 mv 1 83 59 191 0 + 4 e 348 376 etot -8.4403E+01 mv 1 83 122 -143 0 + 4 e 490 349 etot -8.7515E+01 mv 1 83 197 -159 0 + 4 e 268 389 etot -8.8146E+01 mv 1 83 74 -71 0 + 4 e 403 377 etot -8.8009E+01 mv 1 83 122 179 0 + 4 e 263 398 etot -8.7959E+01 mv 1 83 137 23 0 + 4 e 383 365 etot -7.4516E+01 mv 1 83 59 -199 0 + 4 e 523 346 etot -8.2485E+01 mv 1 83 197 111 0 + -1 e 1 22 etot 1.3528E+20 mv 6 84 60 120 0 + -1 e 1 13 etot 1.3528E+20 mv 6 84 53 52 0 + -1 e 1 7 etot 1.3528E+20 mv 6 84 18 121 0 + 4 e 132 2 etot -8.7048E+01 mv 6 84 18 60 0 c 60 3.4 0.0 + -1 e 1 37 etot 1.3528E+20 mv 6 84 76 193 0 + 4 e 186 15 etot -8.6187E+01 mv 6 84 53 13 0 + 4 e 196 11 etot -8.6514E+01 mv 6 84 53 139 0 + 4 e 189 12 etot -9.0030E+01 mv 6 84 53 87 0 + -1 e 1 41 etot 1.3528E+20 mv 6 84 79 134 0 + 4 e 213 26 etot -8.4819E+01 mv 6 84 60 53 0 + -1 e 1 43 etot 1.3528E+20 mv 6 84 79 68 0 + -1 e 1 44 etot 1.3528E+20 mv 6 84 79 2 0 + 4 e 236 19 etot -8.6568E+01 mv 6 84 53 91 0 + 4 e 185 38 etot -8.7026E+01 mv 6 84 76 119 0 c 76 7.2 0.0 + 4 e 273 28 etot -8.6436E+01 mv 6 84 60 70 0 + 4 e 272 23 etot -8.5516E+01 mv 6 84 60 139 0 + 4 e 299 16 etot -8.7826E+01 mv 6 84 53 145 0 + 4 e 406 1 etot -8.7444E+01 mv 6 84 18 149 0 + 4 e 314 8 etot -8.9046E+01 mv 6 84 18 47 0 + 4 e 333 29 etot -7.8023E+01 mv 6 84 60 49 0 + 4 e 324 6 etot -8.9045E+01 mv 6 84 18 46 0 + 4 e 330 14 etot -8.4865E+01 mv 6 84 53 156 0 + 4 e 331 36 etot -9.0745E+01 mv 6 84 76 92 0 + 4 e 382 27 etot -7.7910E+01 mv 6 84 60 197 0 + 4 e 382 4 etot -8.5107E+01 mv 6 84 18 111 0 + 4 e 391 5 etot -7.1234E+01 mv 6 84 18 161 0 + 4 e 428 18 etot -7.8802E+01 mv 6 84 53 4 0 + 4 e 156 51 etot -6.7254E+01 mv 6 84 102 81 0 + 4 e 563 3 etot -7.9659E+01 mv 6 84 18 138 0 + 4 e 208 42 etot -8.9030E+01 mv 6 84 79 124 0 c 79 1.3 0.0 + 4 e 445 35 etot -8.7937E+01 mv 6 84 76 110 0 + -1 e 1 64 etot 1.3528E+20 mv 6 84 128 62 0 + 4 e 250 30 etot -7.8212E+01 mv 6 84 60 150 0 + 4 e 482 17 etot -7.3992E+01 mv 6 84 53 57 0 + 4 e 337 40 etot -6.3566E+01 mv 6 84 76 176 0 + 4 e 333 47 etot -8.8950E+01 mv 6 84 79 113 0 + 4 e 254 34 etot -8.7026E+01 mv 6 84 76 176 0 + 4 e 228 50 etot -8.9030E+01 mv 6 84 79 116 0 + 4 e 307 52 etot -8.7782E+01 mv 6 84 102 57 0 c 102 3.2 0.0 + 4 e 211 54 etot -9.0297E+01 mv 6 84 102 8 0 + 4 e 271 24 etot -8.9073E+01 mv 6 84 60 42 0 + 4 e 223 55 etot -8.7783E+01 mv 6 84 102 55 0 c 102 2.9 0.0 + 4 e 382 39 etot -8.6529E+01 mv 6 84 76 117 0 + 4 e 24 75 etot -8.4930E+01 mv 6 84 195 95 0 c 95 0.0 0.0 + 4 e 289 60 etot -8.9583E+01 mv 6 84 102 27 0 + -1 e 1 78 etot 1.3528E+20 mv 6 84 195 172 0 + 4 e 420 49 etot -8.7273E+01 mv 6 84 79 34 0 c 118 22.1 0.3 + 4 e 315 56 etot -8.6154E+01 mv 6 84 102 148 0 + 4 e 328 61 etot -8.6534E+01 mv 6 84 128 145 0 + 4 e 216 67 etot -8.5235E+01 mv 6 84 128 140 0 + -1 e 1 83 etot 1.3528E+20 mv 6 84 87 59 0 + 4 e 701 20 etot -8.0145E+01 mv 6 84 53 28 0 + 4 e 191 65 etot -8.8838E+01 mv 6 84 128 184 0 + 4 e 371 53 etot -7.8270E+01 mv 6 84 102 177 0 + 4 e 14 87 etot -8.5227E+01 mv 6 84 87 192 0 c 192 0.0 0.0 + 4 e 319 57 etot -8.9100E+01 mv 6 84 102 182 0 c 18 81.6 0.1 + 4 e 351 25 etot -7.9215E+01 mv 6 84 60 58 0 + 4 e 351 32 etot -8.2814E+01 mv 6 84 76 163 0 + 4 e 15 88 etot -8.7770E+01 mv 6 84 87 140 0 c 140 0.0 0.0 + 4 e 530 46 etot -9.1178E+01 mv 6 84 79 18 0 + 4 e 259 72 etot -8.1291E+01 mv 6 84 195 115 0 + 4 e 240 71 etot -8.8843E+01 mv 6 84 195 125 0 + 4 e 297 63 etot -8.3583E+01 mv 6 84 128 41 0 + 4 e 455 62 etot -8.2826E+01 mv 6 84 128 114 0 + 4 e 372 33 etot -8.6248E+01 mv 6 84 76 136 0 + -1 e 1 98 etot 1.3528E+20 mv 6 84 101 72 0 + 4 e 550 45 etot -8.9327E+01 mv 6 84 79 126 0 + 4 e 343 73 etot -8.0535E+01 mv 6 84 195 30 0 + 4 e 235 76 etot -7.0453E+01 mv 6 84 195 107 0 + 4 e 420 68 etot -7.4968E+01 mv 6 84 128 187 0 + 4 e 203 82 etot -8.4748E+01 mv 6 84 87 26 0 + 4 e 390 21 etot -8.1229E+01 mv 6 84 60 6 0 + 4 e 391 31 etot -8.5455E+01 mv 6 84 76 110 0 + 4 e 521 59 etot -8.9098E+01 mv 6 84 102 111 0 + -1 e 1 107 etot 1.3528E+20 mv 6 84 115 139 0 + 4 e 546 58 etot -8.8260E+01 mv 6 84 102 182 0 + 4 e 262 81 etot -8.5047E+01 mv 6 84 87 147 0 + 4 e 350 79 etot -8.8840E+01 mv 6 84 195 158 0 + 4 e 341 80 etot -8.8689E+01 mv 6 84 195 156 0 + 4 e 572 48 etot -8.6113E+01 mv 6 84 79 138 0 + 4 e 510 69 etot -9.0135E+01 mv 6 84 128 193 0 + 4 e 264 85 etot -7.8365E+01 mv 6 84 87 61 0 + 4 e 345 77 etot -8.8839E+01 mv 6 84 195 21 0 + 4 e 208 93 etot -8.8240E+01 mv 6 84 101 186 0 + 4 e 257 95 etot -8.5302E+01 mv 6 84 101 173 0 + 4 e 122 112 etot -6.7467E+01 mv 6 84 197 187 0 + 4 e 212 102 etot -8.7826E+01 mv 6 84 115 184 0 + 4 e 386 84 etot -8.5047E+01 mv 6 84 87 114 0 + -1 e 1 121 etot 1.3528E+20 mv 6 84 54 75 0 + 4 e 365 86 etot -7.8852E+01 mv 6 84 87 65 0 + 4 e 311 94 etot -8.7380E+01 mv 6 84 101 185 0 + 4 e 317 96 etot -7.8297E+01 mv 6 84 101 165 0 + 4 e 229 66 etot -8.6807E+01 mv 6 84 128 44 0 c 128 1.9 0.0 + 4 e 269 109 etot -8.6925E+01 mv 6 84 115 146 0 c 146 104.0 1.0 + 4 e 296 89 etot -8.4972E+01 mv 6 84 87 44 0 + -1 e 1 128 etot 1.3528E+20 mv 6 84 54 157 0 + 4 e 303 104 etot -8.5639E+01 mv 6 84 115 165 0 + 4 e 314 103 etot -8.9602E+01 mv 6 84 115 10 0 + 4 e 13 131 etot -8.8438E+01 mv 6 84 13 193 0 c 193 0.0 0.0 + 4 e 288 110 etot -8.2978E+01 mv 6 84 115 175 0 + 4 e 181 118 etot -8.4213E+01 mv 6 84 197 155 0 + 4 e 338 108 etot -8.8917E+01 mv 6 84 115 87 0 + 4 e 254 117 etot -8.8634E+01 mv 6 84 197 93 0 c 81 126.9 1.2 + 4 e 263 116 etot -8.7769E+01 mv 6 84 197 103 0 + 4 e 379 101 etot -7.8820E+01 mv 6 84 115 67 0 + 4 e 308 114 etot -8.3481E+01 mv 6 84 197 58 0 + -1 e 1 139 etot 1.3528E+20 mv 6 84 13 134 0 + 4 e 212 122 etot -8.6896E+01 mv 6 84 54 138 0 + 4 e 331 115 etot -8.4511E+01 mv 6 84 197 66 0 + 4 e 372 111 etot -8.3481E+01 mv 6 84 197 170 0 + 4 e 294 70 etot -8.2370E+01 mv 6 84 128 115 0 + 4 e 184 127 etot -8.9262E+01 mv 6 84 54 78 0 + 4 e 291 124 etot -6.8340E+01 mv 6 84 54 110 0 + 4 e 583 97 etot -9.1336E+01 mv 6 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91 0 + 4 e 153 374 etot -7.5803E+01 mv 1 84 59 -74 0 + 4 e 253 366 etot -8.8871E+01 mv 1 84 13 95 0 + 4 e 135 383 etot -8.8215E+01 mv 1 84 150 46 0 + 4 e 217 376 etot -8.9248E+01 mv 1 84 42 28 0 + 4 e 254 373 etot -8.8574E+01 mv 1 84 59 -56 0 + 4 e 435 346 etot -8.3140E+01 mv 1 84 101 185 0 + 4 e 202 369 etot -8.7585E+01 mv 1 84 13 164 0 + -1 e 1 400 etot 1.3528E+20 mv 1 84 66 -199 0 + 4 e 170 379 etot -7.3508E+01 mv 1 84 42 -180 0 + 4 e 201 382 etot -8.8215E+01 mv 1 84 150 58 0 + 4 e 260 377 etot -8.6707E+01 mv 1 84 42 142 0 + 4 e 179 386 etot -8.8483E+01 mv 1 84 158 -99 0 + 4 e 195 378 etot -6.8858E+01 mv 1 84 42 -149 0 + 9 e 1001 318 etot -6.6820E+01 mv 1 84 76 -132 0 + 4 e 141 385 etot -8.8215E+01 mv 1 84 150 149 0 + 4 e 133 398 etot -8.9261E+01 mv 1 84 66 162 0 + 4 e 197 391 etot -8.8364E+01 mv 1 84 126 -122 0 + 4 e 247 384 etot -8.7770E+01 mv 1 84 150 130 0 + 4 e 2 410 etot -9.0194E+01 mv 0 84 101 0 0 + 4 e 2 412 etot -8.9188E+01 mv 0 84 197 0 0 + 4 e 11 409 etot -8.5048E+01 mv 0 84 87 0 0 c 87 0.0 0.0 + 4 e 172 393 etot -8.8364E+01 mv 1 84 126 -145 0 + 4 e 2 413 etot -8.9262E+01 mv 0 84 54 0 0 + 4 e 2 414 etot -8.8871E+01 mv 0 84 13 0 0 + 4 e 2 415 etot -8.8574E+01 mv 0 84 59 0 0 + 4 e 2 416 etot -8.9248E+01 mv 0 84 42 0 0 + 4 e 2 418 etot -8.8483E+01 mv 0 84 158 0 0 +## N0 total= 16 close= 6 far= 0 %acc 37.5 +## N1 total= 104 close= 4 far= 0 %acc 3.8 +## N2 total= 100 close= 3 far= 0 %acc 3.0 +## N3 total= 0 close= 0 far= 0 %acc 0.0 +## N4 total= 0 close= 0 far= 0 %acc 0.0 +## N5 total= 0 close= 0 far= 0 %acc 0.0 +## N6 total= 200 close= 16 far= 0 %acc 8.0 +## N7 total= 0 close= 0 far= 0 %acc 0.0 +## N8 total= 0 close= 0 far= 0 %acc 0.0 +## N9 total= 0 close= 0 far= 0 %acc 0.0 +##N10 total= 0 close= 0 far= 0 %acc 0.0 +##N11 total= 0 close= 0 far= 0 %acc 0.0 +##N12 total= 0 close= 0 far= 0 %acc 0.0 +##N13 total= 0 close= 0 far= 0 %acc 0.0 +##N14 total= 0 close= 0 far= 0 %acc 0.0 +##N15 total= 0 close= 0 far= 0 %acc 0.0 +##N16 total= 0 close= 0 far= 0 %acc 0.0 +##N17 total= 0 close= 0 far= 0 %acc 0.0 +##N18 total= 0 close= 0 far= 0 %acc 0.0 + Time for refresh 85 0.95 + make_var : nseed= 20 ntry= 420 + Time for make trial 86 0.14 +Nonsetup time 181.35 sec, Eval/s = 57892.67 +Time for iter 86 2.60 sec, Eval/s = 46319.06 + UPDATING 420 + 4 e 2 420 etot -8.9261E+01 mv 0 84 66 0 0 + 4 e 168 404 etot -8.7026E+01 mv 0 84 76 0 0 + 4 e 12 417 etot -8.8216E+01 mv 0 84 150 0 0 + 4 e 215 396 etot -8.7821E+01 mv 1 84 66 -17 0 + 4 e 132 403 etot -8.7048E+01 mv 0 84 60 0 0 + 4 e 544 368 etot -6.9818E+01 mv 1 84 13 178 0 + 4 e 128 411 etot -8.9617E+01 mv 0 84 115 0 0 c 115 0.8 0.0 + 4 e 648 357 etot -8.9185E+01 mv 1 84 197 -32 0 + 4 e 98 407 etot -8.6808E+01 mv 0 84 128 0 0 c 128 0.8 0.0 + 4 e 103 405 etot -8.9030E+01 mv 0 84 79 0 0 c 79 1.0 0.0 + 4 e 361 392 etot -9.0900E+01 mv 1 84 126 167 0 + 4 e 576 359 etot -8.5733E+01 mv 1 84 197 150 0 + -1 e 1 5 etot 1.3528E+20 mv 6 85 1 57 0 + 4 e 456 375 etot -8.8573E+01 mv 1 84 59 -117 0 + 4 e 10 419 etot 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etot -8.9445E+01 mv 1 85 65 -19 0 + 4 e 552 319 etot -7.9450E+01 mv 1 85 118 -5 0 + 4 e 216 348 etot -8.9445E+01 mv 1 85 65 106 0 + 4 e 453 314 etot -8.3484E+01 mv 1 85 81 -56 0 + -1 e 1 369 etot 1.3528E+20 mv 1 85 135 28 0 + 4 e 520 326 etot -8.9012E+01 mv 1 85 195 -47 0 + 4 e 286 343 etot -8.9756E+01 mv 1 85 198 151 0 + 4 e 376 340 etot -8.1479E+01 mv 1 85 101 -63 0 + 4 e 306 344 etot -9.0581E+01 mv 1 85 198 41 0 c 198 1.4 0.0 + -1 e 1 374 etot 1.3528E+20 mv 1 85 59 -32 0 + 4 e 199 355 etot -8.9187E+01 mv 1 85 197 128 0 + 4 e 298 338 etot -7.2244E+01 mv 1 85 101 -133 0 + 4 e 238 354 etot -7.7948E+01 mv 1 85 197 50 0 + 4 e 435 320 etot -8.1999E+01 mv 1 85 118 -185 0 + 4 e 146 361 etot -8.8871E+01 mv 1 85 13 -86 0 + 4 e 449 337 etot -8.8789E+01 mv 1 85 101 -18 0 + 4 e 607 327 etot -7.9791E+01 mv 1 85 195 -182 0 + 4 e 527 313 etot -8.2298E+01 mv 1 85 81 -135 0 + 4 e 417 329 etot -8.2098E+01 mv 1 85 195 -78 0 + 4 e 268 359 etot -7.2953E+01 mv 1 85 37 -57 0 + 4 e 162 363 etot -8.8871E+01 mv 1 85 13 136 0 + 4 e 389 349 etot -8.7213E+01 mv 1 85 65 -29 0 + 4 e 196 371 etot -8.7263E+01 mv 1 85 59 -197 0 + -1 e 1 388 etot 1.3528E+20 mv 1 85 150 -127 0 + 4 e 221 367 etot -8.8680E+01 mv 1 85 135 -45 0 + 4 e 253 365 etot -8.8871E+01 mv 1 85 13 1 0 + 4 e 289 350 etot -8.9445E+01 mv 1 85 65 -40 0 + 4 e 474 347 etot -8.7601E+01 mv 1 85 65 -156 0 + 4 e 226 362 etot -6.8548E+01 mv 1 85 13 -18 0 + 4 e 322 351 etot -8.9187E+01 mv 1 85 197 -43 0 + 4 e 427 341 etot -7.1736E+01 mv 1 85 198 -123 0 + 4 e 409 356 etot -8.9070E+01 mv 1 85 37 -72 0 + 4 e 293 368 etot -8.8680E+01 mv 1 85 135 44 0 + 4 e 341 366 etot -6.9662E+01 mv 1 85 135 52 0 + 4 e 309 373 etot -7.6315E+01 mv 1 85 59 -181 0 + 4 e 125 390 etot -8.8215E+01 mv 1 85 150 -93 0 + 4 e 259 381 etot -8.8221E+01 mv 1 85 50 18 0 + 4 e 301 378 etot -8.8224E+01 mv 1 85 142 -115 0 + 4 e 157 384 etot -8.8221E+01 mv 1 85 50 -40 0 + 4 e 635 345 etot -8.3957E+01 mv 1 85 198 -45 0 + 4 e 281 382 etot -7.9874E+01 mv 1 85 50 8 0 + 4 e 386 372 etot -7.9187E+01 mv 1 85 59 134 0 + 4 e 363 358 etot -7.6147E+01 mv 1 85 37 -85 0 + 4 e 183 391 etot -8.8843E+01 mv 1 85 125 -110 0 + 4 e 2 408 etot -9.0194E+01 mv 0 85 101 0 0 + 4 e 354 376 etot -8.0215E+01 mv 1 85 142 181 0 + 4 e 2 411 etot -8.9188E+01 mv 0 85 197 0 0 + 4 e 2 412 etot -8.9075E+01 mv 0 85 37 0 0 + 4 e 2 413 etot -8.8871E+01 mv 0 85 13 0 0 + 4 e 58 403 etot -8.8634E+01 mv 0 85 81 0 0 c 81 0.8 0.0 + 4 e 2 415 etot -8.8574E+01 mv 0 85 59 0 0 + 4 e 214 389 etot -8.4773E+01 mv 1 85 150 174 0 + 4 e 2 416 etot -8.8225E+01 mv 0 85 142 0 0 + 4 e 39 407 etot -8.5335E+01 mv 0 85 151 0 0 c 151 0.2 0.0 + 4 e 96 401 etot -8.6142E+01 mv 0 85 1 0 0 +## N0 total= 21 close= 8 far= 0 %acc 38.1 +## N1 total= 99 close= 2 far= 0 %acc 2.0 +## N2 total= 100 close= 3 far= 0 %acc 3.0 +## N3 total= 0 close= 0 far= 0 %acc 0.0 +## N4 total= 0 close= 0 far= 0 %acc 0.0 +## N5 total= 0 close= 0 far= 0 %acc 0.0 +## N6 total= 200 close= 15 far= 0 %acc 7.5 +## N7 total= 0 close= 0 far= 0 %acc 0.0 +## N8 total= 0 close= 0 far= 0 %acc 0.0 +## N9 total= 0 close= 0 far= 0 %acc 0.0 +##N10 total= 0 close= 0 far= 0 %acc 0.0 +##N11 total= 0 close= 0 far= 0 %acc 0.0 +##N12 total= 0 close= 0 far= 0 %acc 0.0 +##N13 total= 0 close= 0 far= 0 %acc 0.0 +##N14 total= 0 close= 0 far= 0 %acc 0.0 +##N15 total= 0 close= 0 far= 0 %acc 0.0 +##N16 total= 0 close= 0 far= 0 %acc 0.0 +##N17 total= 0 close= 0 far= 0 %acc 0.0 +##N18 total= 0 close= 0 far= 0 %acc 0.0 + Time for refresh 86 0.63 + make_var : nseed= 20 ntry= 420 + Time for make trial 87 0.08 +Nonsetup time 183.56 sec, Eval/s = 57843.08 +Time for iter 87 2.21 sec, Eval/s = 53783.03 + UPDATING 420 + 4 e 36 418 etot -8.8216E+01 mv 0 85 150 0 0 c 150 0.0 0.0 + 4 e 2 419 etot -8.8844E+01 mv 0 85 125 0 0 + 4 e 137 402 etot -8.9100E+01 mv 0 85 18 0 0 c 18 2.0 0.0 + 4 e 317 385 etot -8.8220E+01 mv 1 85 50 -166 0 + 4 e 369 393 etot -8.8843E+01 mv 1 85 125 -8 0 + 4 e 562 380 etot -8.6232E+01 mv 1 85 142 82 0 + 4 e 15 417 etot -8.8222E+01 mv 0 85 50 0 0 c 50 0.0 0.0 + 4 e 52 414 etot -8.8680E+01 mv 0 85 135 0 0 c 135 0.1 0.0 + 4 e 122 405 etot -8.6925E+01 mv 0 85 146 0 0 c 146 0.8 0.0 + 4 e 406 375 etot -8.0490E+01 mv 1 85 59 -119 0 + 4 e 109 406 etot -8.9014E+01 mv 0 85 195 0 0 + 4 e 41 409 etot -9.0326E+01 mv 0 85 198 0 0 + 4 e 185 398 etot -8.8116E+01 mv 1 85 4 -27 0 + 4 e 335 397 etot -8.7150E+01 mv 1 85 4 69 0 + 4 e 444 399 etot -8.8067E+01 mv 1 85 4 -33 0 + 4 e 621 364 etot -8.8627E+01 mv 1 85 13 64 0 + 4 e 10 420 etot -8.8116E+01 mv 0 85 4 0 0 c 4 0.0 0.0 + 4 e 196 400 etot -8.8116E+01 mv 1 85 4 -134 0 + 4 e 423 387 etot -8.6292E+01 mv 1 85 150 -160 0 + 4 e 425 377 etot -8.8222E+01 mv 1 85 142 133 0 + 4 e 24 410 etot -8.9446E+01 mv 0 85 65 0 0 c 65 0.0 0.0 + 4 e 430 386 etot -8.1488E+01 mv 1 85 150 -147 0 + 4 e 180 395 etot -8.8844E+01 mv 1 85 125 -121 0 + -1 e 1 15 etot 1.3528E+20 mv 6 86 23 84 0 + 4 e 108 404 etot -8.7274E+01 mv 0 85 118 0 0 c 118 0.5 0.0 + 4 e 218 396 etot -8.8115E+01 mv 1 85 4 -70 0 + 4 e 298 392 etot -8.7268E+01 mv 1 85 125 132 0 + 4 e 429 379 etot -8.6183E+01 mv 1 85 142 -100 0 + 4 e 402 360 etot -7.3758E+01 mv 1 85 37 -20 0 + -1 e 1 24 etot 1.3528E+20 mv 6 86 145 154 0 + 4 e 553 370 etot -8.3404E+01 mv 1 85 135 -186 0 + -1 e 1 23 etot 1.3528E+20 mv 6 86 145 50 0 + 4 e 289 383 etot -8.8220E+01 mv 1 85 50 146 0 + 4 e 335 394 etot -7.8528E+01 mv 1 85 125 24 0 + -1 e 1 28 etot 1.3528E+20 mv 6 86 145 156 0 + -1 e 1 31 etot 1.3528E+20 mv 6 86 160 138 0 + -1 e 1 29 etot 2.5407E+20 mv 6 86 145 109 0 + 4 e 122 9 etot -7.2706E+01 mv 6 86 1 121 0 + -1 e 1 38 etot 1.3528E+20 mv 6 86 160 170 0 + 4 e 167 17 etot -7.8659E+01 mv 6 86 23 155 0 + 4 e 194 13 etot -8.3850E+01 mv 6 86 23 192 0 + 4 e 206 27 etot -8.7208E+01 mv 6 86 145 130 0 + 4 e 223 33 etot -7.5363E+01 mv 6 86 160 148 0 + 4 e 271 4 etot -7.3638E+01 mv 6 86 1 38 0 + 4 e 281 5 etot -7.7995E+01 mv 6 86 1 130 0 + 4 e 243 36 etot -8.2232E+01 mv 6 86 160 43 0 + 4 e 275 7 etot -7.9552E+01 mv 6 86 1 41 0 + 4 e 339 1 etot -8.8437E+01 mv 6 86 1 55 0 + 4 e 287 10 etot -8.6581E+01 mv 6 86 1 89 0 + 4 e 292 16 etot -8.4388E+01 mv 6 86 23 50 0 + 4 e 327 11 etot -8.6738E+01 mv 6 86 23 89 0 + -1 e 1 51 etot 1.3528E+20 mv 6 86 195 17 0 + 4 e 410 2 etot -8.4300E+01 mv 6 86 1 45 0 + 4 e 271 32 etot -8.7623E+01 mv 6 86 160 62 0 c 62 23.1 0.1 + 4 e 362 26 etot -7.8698E+01 mv 6 86 145 37 0 + 4 e 359 6 etot -8.2009E+01 mv 6 86 1 174 0 + 4 e 356 12 etot -8.8537E+01 mv 6 86 23 158 0 + 4 e 258 39 etot -8.5820E+01 mv 6 86 160 37 0 c 160 1.6 0.0 + 4 e 401 25 etot -8.9671E+01 mv 6 86 145 159 0 + 4 e 474 3 etot -8.5436E+01 mv 6 86 1 97 0 + 4 e 371 19 etot -8.3490E+01 mv 6 86 23 85 0 + -1 e 1 61 etot 1.3528E+20 mv 6 86 198 128 0 + 4 e 368 22 etot -8.9918E+01 mv 6 86 145 64 0 + 4 e 217 48 etot -7.4195E+01 mv 6 86 170 7 0 + 4 e 436 30 etot -8.9154E+01 mv 6 86 145 182 0 + 4 e 451 14 etot -8.8624E+01 mv 6 86 23 24 0 + 4 e 125 52 etot -7.7523E+01 mv 6 86 195 12 0 + 4 e 203 45 etot -8.5722E+01 mv 6 86 170 128 0 c 170 2.8 0.0 + 4 e 314 40 etot -6.5405E+01 mv 6 86 160 136 0 + 4 e 479 18 etot -8.9186E+01 mv 6 86 23 89 0 + 4 e 207 46 etot -8.4899E+01 mv 6 86 170 149 0 + 4 e 148 55 etot -8.9757E+01 mv 6 86 195 108 0 c 195 1.9 0.0 + 4 e 315 42 etot -7.0896E+01 mv 6 86 170 53 0 + 4 e 552 35 etot -8.2948E+01 mv 6 86 160 30 0 + 4 e 320 41 etot -8.2819E+01 mv 6 86 170 24 0 + 4 e 290 34 etot -7.9352E+01 mv 6 86 160 66 0 + 4 e 263 60 etot -8.5602E+01 mv 6 86 195 36 0 + -1 e 1 77 etot 1.3528E+20 mv 6 86 36 2 0 + 4 e 369 50 etot -7.5938E+01 mv 6 86 170 28 0 + 4 e 373 53 etot -8.2778E+01 mv 6 86 195 70 0 + 4 e 210 68 etot -7.1795E+01 mv 6 86 198 66 0 + 4 e 220 70 etot -6.7559E+01 mv 6 86 198 104 0 + 4 e 307 49 etot -8.5721E+01 mv 6 86 170 75 0 + 4 e 613 8 etot -8.1877E+01 mv 6 86 1 83 0 + 4 e 311 62 etot -7.7830E+01 mv 6 86 198 193 0 + 4 e 247 69 etot -8.7648E+01 mv 6 86 198 73 0 + 4 e 427 20 etot -8.7593E+01 mv 6 86 23 11 0 + 4 e 295 57 etot -8.1688E+01 mv 6 86 195 180 0 + 4 e 491 47 etot -8.7464E+01 mv 6 86 170 13 0 + 4 e 427 56 etot -6.5472E+01 mv 6 86 195 42 0 + 4 e 347 64 etot -7.9756E+01 mv 6 86 198 113 0 + 4 e 497 21 etot -8.0250E+01 mv 6 86 145 197 0 + 4 e 296 59 etot -8.6829E+01 mv 6 86 195 42 0 + 4 e 303 65 etot -7.9812E+01 mv 6 86 198 179 0 + -1 e 1 94 etot 1.3528E+20 mv 6 86 101 179 0 + 4 e 229 81 etot -9.0850E+01 mv 6 86 35 10 0 + 4 e 375 66 etot -8.9060E+01 mv 6 86 198 146 0 + 4 e 224 82 etot -8.8203E+01 mv 6 86 35 9 0 + 4 e 699 44 etot -8.2410E+01 mv 6 86 170 188 0 + 4 e 213 84 etot -9.0850E+01 mv 6 86 35 73 0 + -1 e 1 100 etot 1.3528E+20 mv 6 86 101 15 0 + 4 e 319 78 etot -8.5602E+01 mv 6 86 36 101 0 + 4 e 208 90 etot -9.0850E+01 mv 6 86 35 6 0 + 4 e 294 73 etot -8.4628E+01 mv 6 86 36 160 0 + 4 e 525 58 etot -8.9431E+01 mv 6 86 195 117 0 + 4 e 527 43 etot -8.1666E+01 mv 6 86 170 187 0 + 4 e 451 67 etot -8.8656E+01 mv 6 86 198 118 0 + 4 e 349 80 etot -8.0484E+01 mv 6 86 36 30 0 + 4 e 306 85 etot -7.5996E+01 mv 6 86 35 72 0 + 4 e 403 75 etot -7.4826E+01 mv 6 86 36 69 0 + 4 e 326 86 etot -8.1988E+01 mv 6 86 35 96 0 + 4 e 298 89 etot -8.6299E+01 mv 6 86 35 5 0 + 4 e 254 95 etot -8.8754E+01 mv 6 86 101 127 0 + 4 e 309 88 etot -7.9753E+01 mv 6 86 35 117 0 + 4 e 363 72 etot -8.5473E+01 mv 6 86 36 104 0 + 4 e 181 99 etot -7.3063E+01 mv 6 86 101 167 0 + 4 e 360 91 etot -7.1944E+01 mv 6 86 101 152 0 + -1 e 1 117 etot 1.4393E+34 mv 6 86 37 156 0 + -1 e 1 118 etot 1.3528E+20 mv 6 86 37 109 0 + 4 e 516 79 etot -8.1228E+01 mv 6 86 36 177 0 + -1 e 1 120 etot 1.3528E+20 mv 6 86 37 147 0 + -1 e 1 121 etot 1.3528E+20 mv 6 86 81 47 0 + 4 e 255 63 etot -8.5639E+01 mv 6 86 198 118 0 + 4 e 129 114 etot -8.0189E+01 mv 6 86 37 136 0 + 4 e 480 37 etot -8.3159E+01 mv 6 86 160 66 0 + 4 e 297 96 etot -8.3985E+01 mv 6 86 101 43 0 + 4 e 519 83 etot -8.3345E+01 mv 6 86 35 30 0 + 4 e 132 119 etot -6.3405E+01 mv 6 86 37 51 0 + 4 e 341 98 etot -8.5562E+01 mv 6 86 101 147 0 + 4 e 251 111 etot -7.4268E+01 mv 6 86 37 47 0 + 4 e 188 106 etot -8.6437E+01 mv 6 86 197 70 0 + 4 e 11 130 etot -8.7242E+01 mv 6 86 81 185 0 c 185 0.0 0.0 + 4 e 374 102 etot -7.5652E+01 mv 6 86 197 120 0 + 4 e 321 108 etot -8.8222E+01 mv 6 86 197 42 0 + -1 e 1 134 etot 8.0831E+22 mv 6 86 33 189 0 + 4 e 322 107 etot -8.2282E+01 mv 6 86 197 98 0 + 4 e 373 93 etot -8.9697E+01 mv 6 86 101 171 0 + 4 e 378 103 etot -8.2214E+01 mv 6 86 197 13 0 + 4 e 248 116 etot -7.7643E+01 mv 6 86 37 44 0 + 4 e 516 71 etot -8.1221E+01 mv 6 86 36 81 0 + 4 e 445 101 etot -8.5000E+01 mv 6 86 197 122 0 + 4 e 360 110 etot -8.2305E+01 mv 6 86 197 83 0 + 4 e 416 105 etot -8.9186E+01 mv 6 86 197 127 0 + 4 e 396 113 etot -8.8893E+01 mv 6 86 37 189 0 + 4 e 272 126 etot -7.8078E+01 mv 6 86 81 143 0 + 4 e 317 122 etot -8.2868E+01 mv 6 86 81 186 0 + 4 e 490 109 etot -8.3217E+01 mv 6 86 197 145 0 + 4 e 114 123 etot -8.5481E+01 mv 6 86 81 43 0 + 4 e 386 104 etot -8.3283E+01 mv 6 86 197 80 0 + 4 e 271 129 etot -8.7360E+01 mv 6 86 81 27 0 + 4 e 290 128 etot -8.0296E+01 mv 6 86 81 141 0 + 4 e 419 76 etot -7.3106E+01 mv 6 86 36 166 0 + 4 e 527 112 etot -7.7172E+01 mv 6 86 37 31 0 + -1 e 1 153 etot 1.3528E+20 mv 6 86 59 193 0 + 4 e 200 143 etot -8.8843E+01 mv 6 86 125 20 0 + 4 e 689 74 etot -7.9214E+01 mv 6 86 36 33 0 + 4 e 718 97 etot -8.1473E+01 mv 6 86 101 100 0 + -1 e 1 157 etot 1.3528E+20 mv 6 86 59 9 0 + 4 e 272 141 etot -7.4405E+01 mv 6 86 125 117 0 + 4 e 334 132 etot -8.5395E+01 mv 6 86 33 141 0 + 4 e 292 125 etot -8.8634E+01 mv 6 86 81 154 0 + 4 e 224 131 etot -8.3033E+01 mv 6 86 33 25 0 + 4 e 483 124 etot -8.0834E+01 mv 6 86 81 143 0 + 4 e 324 92 etot -7.9543E+01 mv 6 86 101 160 0 + 4 e 281 144 etot -8.8843E+01 mv 6 86 125 108 0 + -1 e 1 165 etot 1.3528E+20 mv 6 86 98 110 0 + 4 e 391 138 etot -8.2919E+01 mv 6 86 33 169 0 + 4 e 405 139 etot -8.0972E+01 mv 6 86 33 92 0 + -1 e 1 168 etot 1.3528E+20 mv 6 86 98 54 0 + 4 e 436 136 etot -8.1902E+01 mv 6 86 33 141 0 + 4 e 462 135 etot -7.0866E+01 mv 6 86 33 163 0 + 4 e 547 127 etot -7.7848E+01 mv 6 86 81 135 0 + 4 e 468 133 etot -8.0676E+01 mv 6 86 33 131 0 + -1 e 1 173 etot 1.3528E+20 mv 6 86 150 85 0 + 4 e 430 142 etot -8.3274E+01 mv 6 86 125 89 0 + 4 e 302 151 etot -7.5832E+01 mv 6 86 59 166 0 + 4 e 369 137 etot -7.6977E+01 mv 6 86 33 187 0 + 4 e 185 156 etot -7.7120E+01 mv 6 86 59 6 0 + 4 e 52 175 etot -8.5805E+01 mv 6 86 150 166 0 c 166 0.1 0.0 + 4 e 579 54 etot -7.5239E+01 mv 6 86 195 133 0 + 4 e 276 159 etot -8.7535E+01 mv 6 86 59 194 0 + 4 e 314 158 etot -7.0376E+01 mv 6 86 59 122 0 + 4 e 476 87 etot -8.6924E+01 mv 6 86 35 168 0 + 4 e 422 150 etot -8.8245E+01 mv 6 86 125 52 0 + -1 e 1 184 etot 1.3528E+20 mv 6 86 4 68 0 + 4 e 449 147 etot -7.8699E+01 mv 6 86 125 185 0 + 4 e 603 115 etot -7.9049E+01 mv 6 86 37 147 0 + 4 e 474 146 etot -8.1927E+01 mv 6 86 125 65 0 + 4 e 282 163 etot -8.7775E+01 mv 6 86 98 84 0 + 4 e 217 166 etot -8.8292E+01 mv 6 86 98 101 0 + 4 e 196 174 etot -7.8199E+01 mv 6 86 150 10 0 + 4 e 212 171 etot -8.7419E+01 mv 6 86 150 139 0 + 4 e 238 167 etot -8.4982E+01 mv 6 86 98 132 0 + 4 e 305 152 etot -7.6485E+01 mv 6 86 59 145 0 + 4 e 354 160 etot 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248 etot -9.0193E+01 mv 2 86 101 -168 0 + -1 e 1 276 etot 1.3528E+20 mv 2 86 59 51 0 + 4 e 429 239 etot -8.4480E+01 mv 2 86 36 -150 0 + 4 e 346 228 etot -7.4682E+01 mv 2 86 195 -72 0 + 4 e 145 261 etot -8.8634E+01 mv 2 86 81 49 0 + 4 e 425 241 etot -7.4591E+01 mv 2 86 35 167 0 + 4 e 301 251 etot -8.9187E+01 mv 2 86 197 39 0 + 4 e 746 209 etot -7.6815E+01 mv 2 86 23 -151 0 + 4 e 540 232 etot -7.6889E+01 mv 2 86 198 -71 0 + -1 e 1 285 etot 1.3528E+20 mv 2 86 98 -10 0 + 4 e 448 222 etot -6.9575E+01 mv 2 86 170 -186 0 + 4 e 129 265 etot -8.8634E+01 mv 2 86 81 -42 0 + 4 e 202 264 etot -8.6984E+01 mv 2 86 81 -56 0 + 4 e 209 269 etot -9.0348E+01 mv 2 86 33 189 0 + 4 e 168 271 etot -8.8843E+01 mv 2 86 125 38 0 + 4 e 258 252 etot -7.2872E+01 mv 2 86 197 -83 0 + 4 e 465 246 etot -7.9215E+01 mv 2 86 101 -34 0 + 4 e 338 258 etot -7.3277E+01 mv 2 86 37 -167 0 + 4 e 258 254 etot -8.9187E+01 mv 2 86 197 24 0 + 4 e 212 260 etot -8.9075E+01 mv 2 86 37 49 0 + 4 e 399 244 etot -7.3038E+01 mv 2 86 35 -178 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86 158 88 0 + 4 e 251 298 etot -8.8483E+01 mv 2 86 158 37 0 + 4 e 225 303 etot -8.6851E+01 mv 1 86 1 -172 0 c 1 1.3 0.0 + 4 e 212 296 etot -8.8483E+01 mv 2 86 158 -105 0 + 4 e 536 272 etot -8.8841E+01 mv 2 86 125 -4 0 + 4 e 441 284 etot -8.8107E+01 mv 2 86 98 114 0 + 4 e 294 287 etot -8.8215E+01 mv 2 86 150 182 0 + 4 e 221 297 etot -8.0685E+01 mv 2 86 158 175 0 + 4 e 526 282 etot -7.7468E+01 mv 2 86 98 5 0 + 4 e 349 302 etot -6.7628E+01 mv 1 86 1 -182 0 + 4 e 218 310 etot -8.3654E+01 mv 1 86 23 -143 0 + 4 e 289 306 etot -8.8627E+01 mv 1 86 23 -173 0 + 4 e 609 281 etot -7.7956E+01 mv 2 86 98 -104 0 + 4 e 521 266 etot -8.1285E+01 mv 2 86 33 -103 0 + 4 e 351 304 etot -7.8369E+01 mv 1 86 1 -158 0 + 4 e 186 320 etot -8.5779E+01 mv 1 86 160 -190 0 + 4 e 525 294 etot -8.7586E+01 mv 2 86 4 95 0 + 4 e 241 305 etot -8.4837E+01 mv 1 86 1 -143 0 + 4 e 283 315 etot -8.3982E+01 mv 1 86 145 -181 0 + 4 e 331 309 etot -8.8627E+01 mv 1 86 23 -187 0 + 4 e 454 301 etot -8.6698E+01 mv 1 86 1 -63 0 + 4 e 316 311 etot -7.3318E+01 mv 1 86 145 -24 0 + 4 e 409 288 etot -8.1605E+01 mv 2 86 150 -185 0 + 4 e 302 314 etot -8.9994E+01 mv 1 86 145 -150 0 c 145 4.0 0.0 + 4 e 139 327 etot -6.3634E+01 mv 1 86 195 -95 0 + 4 e 480 280 etot -8.6099E+01 mv 2 86 59 -134 0 + 4 e 269 318 etot -7.7754E+01 mv 1 86 160 -190 0 + 4 e 348 312 etot -7.5955E+01 mv 1 86 145 -28 0 + 4 e 153 325 etot -8.4235E+01 mv 1 86 170 -69 0 + 4 e 399 307 etot -8.4255E+01 mv 1 86 23 -41 0 + 4 e 170 321 etot -8.5722E+01 mv 1 86 170 -52 0 + 4 e 197 326 etot -8.9757E+01 mv 1 86 195 -68 0 c 195 1.2 0.0 + 4 e 214 316 etot -8.4574E+01 mv 1 86 160 -135 0 + 4 e 447 292 etot -8.8012E+01 mv 2 86 4 14 0 + -1 e 1 351 etot 1.3528E+20 mv 1 86 197 -177 0 + -1 e 1 352 etot 1.3528E+20 mv 1 86 197 39 0 + 4 e 202 329 etot -8.9757E+01 mv 1 86 195 -37 0 + 4 e 369 322 etot -6.9488E+01 mv 1 86 170 -81 0 + 4 e 381 319 etot -7.7228E+01 mv 1 86 160 -78 0 + 4 e 249 330 etot -8.2190E+01 mv 1 86 195 -172 0 + 4 e 485 295 etot -7.8888E+01 mv 2 86 4 -54 0 + 4 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etot -9.0193E+01 mv 1 86 101 88 0 + 4 e 181 360 etot -8.9075E+01 mv 1 86 37 162 0 + 4 e 428 347 etot -7.6343E+01 mv 1 86 101 -181 0 + 4 e 286 348 etot -9.0193E+01 mv 1 86 101 -97 0 + 4 e 365 354 etot -8.5873E+01 mv 1 86 197 -152 0 + 4 e 226 364 etot -8.8634E+01 mv 1 86 81 14 0 + 4 e 544 333 etot -7.8490E+01 mv 1 86 198 -186 0 + 4 e 495 344 etot -8.9812E+01 mv 1 86 35 126 0 + 4 e 248 366 etot -9.0348E+01 mv 1 86 33 -132 0 + 4 e 325 350 etot -9.0193E+01 mv 1 86 101 102 0 + 4 e 125 373 etot -8.8844E+01 mv 1 86 125 -58 0 + 4 e 278 367 etot -8.1286E+01 mv 1 86 33 196 0 + 4 e 533 339 etot -7.0151E+01 mv 1 86 36 -12 0 + 4 e 220 371 etot -8.8843E+01 mv 1 86 125 -153 0 + 4 e 335 363 etot -8.4452E+01 mv 1 86 81 156 0 + -1 e 1 393 etot 1.3528E+20 mv 1 86 4 -81 0 + 4 e 215 375 etot -8.8843E+01 mv 1 86 125 91 0 + 4 e 642 332 etot -8.8040E+01 mv 1 86 198 -84 0 + 4 e 273 362 etot -8.8634E+01 mv 1 86 81 -130 0 + 4 e 188 372 etot -8.8843E+01 mv 1 86 125 10 0 + 4 e 233 378 etot -7.3162E+01 mv 1 86 59 -169 0 + 4 e 245 370 etot -9.0020E+01 mv 1 86 33 -151 0 + 4 e 261 369 etot -9.0337E+01 mv 1 86 33 -96 0 + 4 e 119 388 etot -8.8215E+01 mv 1 86 150 -135 0 + 4 e 573 356 etot -7.8225E+01 mv 1 86 37 -167 0 + 4 e 240 374 etot -8.8843E+01 mv 1 86 125 12 0 + 4 e 193 379 etot -8.8574E+01 mv 1 86 59 149 0 + 4 e 262 383 etot -8.1395E+01 mv 1 86 98 -186 0 + 4 e 249 385 etot -8.7776E+01 mv 1 86 98 149 0 + 4 e 790 337 etot -8.5600E+01 mv 1 86 36 173 0 + 4 e 19 408 etot -8.5603E+01 mv 0 86 36 0 0 c 36 0.0 0.0 + 4 e 629 357 etot -8.6582E+01 mv 1 86 37 171 0 + 4 e 2 409 etot -9.0850E+01 mv 0 86 35 0 0 + 4 e 2 410 etot -9.0194E+01 mv 0 86 101 0 0 + 4 e 232 392 etot -8.6440E+01 mv 1 86 4 -87 0 + 4 e 2 411 etot -8.9188E+01 mv 0 86 197 0 0 + 4 e 2 412 etot -8.9075E+01 mv 0 86 37 0 0 + 4 e 255 390 etot -8.0328E+01 mv 1 86 150 -34 0 + 4 e 183 396 etot -8.8483E+01 mv 1 86 158 -125 0 + 4 e 2 415 etot -8.8844E+01 mv 0 86 125 0 0 + 4 e 2 416 etot -8.8574E+01 mv 0 86 59 0 0 + 4 e 10 419 etot -8.8116E+01 mv 0 86 4 0 0 +## N0 total= 19 close= 9 far= 0 %acc 47.4 +## N1 total= 101 close= 4 far= 0 %acc 4.0 +## N2 total= 100 close= 5 far= 0 %acc 5.0 +## N3 total= 0 close= 0 far= 0 %acc 0.0 +## N4 total= 0 close= 0 far= 0 %acc 0.0 +## N5 total= 0 close= 0 far= 0 %acc 0.0 +## N6 total= 200 close= 6 far= 0 %acc 3.0 +## N7 total= 0 close= 0 far= 0 %acc 0.0 +## N8 total= 0 close= 0 far= 0 %acc 0.0 +## N9 total= 0 close= 0 far= 0 %acc 0.0 +##N10 total= 0 close= 0 far= 0 %acc 0.0 +##N11 total= 0 close= 0 far= 0 %acc 0.0 +##N12 total= 0 close= 0 far= 0 %acc 0.0 +##N13 total= 0 close= 0 far= 0 %acc 0.0 +##N14 total= 0 close= 0 far= 0 %acc 0.0 +##N15 total= 0 close= 0 far= 0 %acc 0.0 +##N16 total= 0 close= 0 far= 0 %acc 0.0 +##N17 total= 0 close= 0 far= 0 %acc 0.0 +##N18 total= 0 close= 0 far= 0 %acc 0.0 + Time for refresh 87 0.49 + make_var : nseed= 20 ntry= 420 + Time for make trial 88 0.10 +Nonsetup time 185.59 sec, Eval/s = 57835.35 +Time for iter 88 2.02 sec, Eval/s = 57133.47 + UPDATING 420 + 4 e 165 403 etot -8.9995E+01 mv 0 86 145 0 0 c 145 1.9 0.0 + 4 e 120 407 etot -9.0582E+01 mv 0 86 198 0 0 c 198 1.3 0.0 + 4 e 377 386 etot -7.5572E+01 mv 1 86 150 111 0 + 4 e 219 376 etot -8.8573E+01 mv 1 86 59 65 0 + 4 e 2 420 etot -8.8483E+01 mv 0 86 158 0 0 + 4 e 451 381 etot -8.3565E+01 mv 1 86 98 -129 0 + 4 e 308 400 etot -8.6188E+01 mv 1 86 158 63 0 + 4 e 364 387 etot -7.9008E+01 mv 1 86 150 191 0 + 4 e 606 368 etot -8.0659E+01 mv 1 86 33 32 0 + -1 e 1 1 etot 1.0853E+21 mv 6 87 62 4 0 + 4 e 265 391 etot -8.8115E+01 mv 1 86 4 -24 0 + 4 e 19 417 etot -8.8293E+01 mv 0 86 98 0 0 c 98 0.0 0.0 + 4 e 34 413 etot -8.8634E+01 mv 0 86 81 0 0 c 81 0.1 0.0 + -1 e 1 4 etot 1.4765E+20 mv 6 87 62 192 0 + 4 e 106 406 etot -8.9757E+01 mv 0 86 195 0 0 c 195 0.7 0.0 + 4 e 36 418 etot -8.8216E+01 mv 0 86 150 0 0 + 4 e 274 394 etot -7.5022E+01 mv 1 86 4 188 0 + 4 e 317 384 etot -6.7343E+01 mv 1 86 98 -174 0 + 4 e 615 395 etot -8.4827E+01 mv 1 86 4 171 0 + 4 e 312 399 etot -8.0934E+01 mv 1 86 158 -182 0 + 4 e 32 414 etot -9.0349E+01 mv 0 86 33 0 0 c 33 0.0 0.0 + -1 e 1 13 etot 1.3528E+20 mv 6 87 11 89 0 + -1 e 1 15 etot 1.5968E+24 mv 6 87 11 192 0 + -1 e 1 16 etot 1.3528E+20 mv 6 87 11 180 0 + 4 e 772 377 etot -8.6082E+01 mv 1 86 59 -144 0 + 4 e 142 402 etot -8.8628E+01 mv 0 86 23 0 0 c 23 0.6 0.0 + -1 e 1 21 etot 1.3528E+20 mv 6 87 101 18 0 + 4 e 416 397 etot -7.5776E+01 mv 1 86 158 87 0 + 4 e 473 380 etot -8.8572E+01 mv 1 86 59 -47 0 + 4 e 498 382 etot -8.2764E+01 mv 1 86 98 -101 0 + 4 e 148 405 etot -8.5722E+01 mv 0 86 170 0 0 c 170 0.6 0.0 + 4 e 476 389 etot -7.4305E+01 mv 1 86 150 -193 0 + 4 e 594 353 etot -7.9504E+01 mv 1 86 197 16 0 + 4 e 305 398 etot -8.5801E+01 mv 1 86 158 -117 0 + 4 e 107 404 etot -8.5821E+01 mv 0 86 160 0 0 c 160 0.8 0.0 + 4 e 96 401 etot -8.6851E+01 mv 0 86 1 0 0 c 1 0.7 0.0 + 4 e 387 365 etot -8.8633E+01 mv 1 86 81 141 0 + -1 e 1 36 etot 1.3528E+20 mv 6 87 35 58 0 + 4 e 18 20 etot -8.7760E+01 mv 6 87 11 32 0 c 32 0.0 0.0 + 4 e 64 26 etot -8.7208E+01 mv 6 87 101 130 0 c 130 0.8 0.0 + 4 e 123 9 etot -7.0793E+01 mv 6 87 62 182 0 + 4 e 188 8 etot -8.7624E+01 mv 6 87 62 83 0 c 62 1.9 0.0 + 4 e 195 6 etot -8.7623E+01 mv 6 87 62 159 0 + 4 e 225 2 etot -8.6343E+01 mv 6 87 62 196 0 + 4 e 205 29 etot -9.0193E+01 mv 6 87 101 110 0 + 4 e 228 3 etot -8.7623E+01 mv 6 87 62 126 0 + 4 e 213 19 etot -9.0581E+01 mv 6 87 11 198 0 + 4 e 186 37 etot -9.0745E+01 mv 6 87 35 151 0 + 4 e 222 30 etot -8.4008E+01 mv 6 87 101 113 0 + 4 e 274 10 etot -7.6708E+01 mv 6 87 62 25 0 + 4 e 261 11 etot -8.8507E+01 mv 6 87 11 168 0 c 187 122.8 1.0 + 4 e 272 23 etot -7.4509E+01 mv 6 87 101 67 0 + 4 e 288 32 etot -8.9813E+01 mv 6 87 35 48 0 + 4 e 304 7 etot -8.7296E+01 mv 6 87 62 74 0 + 4 e 342 5 etot -8.7622E+01 mv 6 87 62 114 0 + -1 e 1 55 etot 1.3528E+20 mv 6 87 54 111 0 + 4 e 369 31 etot -7.6323E+01 mv 6 87 35 180 0 + 4 e 374 25 etot -7.1824E+01 mv 6 87 101 55 0 + 4 e 363 22 etot -7.9398E+01 mv 6 87 101 141 0 + 4 e 375 17 etot -8.6190E+01 mv 6 87 11 103 0 + -1 e 1 59 etot 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-8.8574E+01 mv 0 87 59 0 0 + 4 e 2 414 etot -8.8483E+01 mv 0 87 158 0 0 + 4 e 2 415 etot -8.8225E+01 mv 0 87 142 0 0 + 4 e 10 416 etot -8.8216E+01 mv 0 87 150 0 0 c 150 0.0 0.0 + 4 e 2 418 etot -8.8147E+01 mv 0 87 74 0 0 + 4 e 13 417 etot -9.0747E+01 mv 0 87 92 0 0 c 92 0.0 0.0 +## N0 total= 27 close= 13 far= 0 %acc 48.1 +## N1 total= 93 close= 1 far= 0 %acc 1.1 +## N2 total= 100 close= 2 far= 0 %acc 2.0 +## N3 total= 0 close= 0 far= 0 %acc 0.0 +## N4 total= 0 close= 0 far= 0 %acc 0.0 +## N5 total= 0 close= 0 far= 0 %acc 0.0 +## N6 total= 200 close= 7 far= 0 %acc 3.5 +## N7 total= 0 close= 0 far= 0 %acc 0.0 +## N8 total= 0 close= 0 far= 0 %acc 0.0 +## N9 total= 0 close= 0 far= 0 %acc 0.0 +##N10 total= 0 close= 0 far= 0 %acc 0.0 +##N11 total= 0 close= 0 far= 0 %acc 0.0 +##N12 total= 0 close= 0 far= 0 %acc 0.0 +##N13 total= 0 close= 0 far= 0 %acc 0.0 +##N14 total= 0 close= 0 far= 0 %acc 0.0 +##N15 total= 0 close= 0 far= 0 %acc 0.0 +##N16 total= 0 close= 0 far= 0 %acc 0.0 +##N17 total= 0 close= 0 far= 0 %acc 0.0 +##N18 total= 0 close= 0 far= 0 %acc 0.0 + Time for refresh 88 0.48 + make_var : nseed= 20 ntry= 420 + Time for make trial 89 0.07 +Nonsetup time 187.68 sec, Eval/s = 57855.02 +Time for iter 89 2.09 sec, Eval/s = 59602.54 + UPDATING 420 + 4 e 389 399 etot -7.5449E+01 mv 1 87 68 4 0 + 4 e 379 374 etot -8.0348E+01 mv 1 87 142 163 0 + 4 e 611 398 etot -8.7250E+01 mv 1 87 68 13 0 + 4 e 474 395 etot -8.7956E+01 mv 1 87 137 -158 0 + 4 e 520 383 etot -9.0742E+01 mv 1 87 92 45 0 + 4 e 354 397 etot -8.5299E+01 mv 1 87 68 -132 0 + 4 e 34 412 etot -8.8634E+01 mv 0 87 81 0 0 + 4 e 453 394 etot -8.4678E+01 mv 1 87 137 -80 0 + 4 e 225 391 etot -8.7959E+01 mv 1 87 137 179 0 + 4 e 162 396 etot -9.0799E+01 mv 1 87 68 -126 0 + 4 e 110 401 etot -8.7624E+01 mv 0 87 62 0 0 c 62 0.9 0.0 + 4 e 84 420 etot -9.0901E+01 mv 0 87 68 0 0 c 68 0.7 0.0 + 4 e 388 385 etot -8.7014E+01 mv 1 87 92 178 0 + 4 e 664 366 etot -8.4450E+01 mv 1 87 158 -123 0 + 4 e 466 392 etot -8.7958E+01 mv 1 87 137 180 0 + 4 e 281 400 etot -9.0900E+01 mv 1 87 68 -116 0 + 4 e 382 390 etot -8.1226E+01 mv 1 87 74 140 0 + 4 e 2 419 etot -8.7959E+01 mv 0 87 137 0 0 + 4 e 89 402 etot -8.6673E+01 mv 0 87 11 0 0 + 4 e 479 382 etot -8.9008E+01 mv 1 87 92 147 0 + 4 e 591 341 etot -8.7889E+01 mv 1 87 66 -177 0 + 4 e 440 367 etot -8.6156E+01 mv 1 87 158 -122 0 + 4 e 354 380 etot -8.2463E+01 mv 1 87 150 195 0 + -1 e 1 15 etot 1.3528E+20 mv 6 88 191 192 0 + 4 e 307 381 etot -9.0746E+01 mv 1 87 92 -199 0 + 4 e 392 359 etot -8.5578E+01 mv 1 87 81 -11 0 c 93 94.2 0.0 + 4 e 197 393 etot -7.2845E+01 mv 1 87 137 -26 0 + 4 e 331 372 etot -8.7776E+01 mv 1 87 142 -130 0 + 4 e 545 389 etot -8.8675E+01 mv 1 87 74 167 0 + 4 e 209 386 etot -8.6682E+01 mv 1 87 74 -158 0 + 4 e 483 387 etot -8.8145E+01 mv 1 87 74 -15 0 + 4 e 371 365 etot -8.8068E+01 mv 1 87 59 55 0 + -1 e 1 30 etot 1.3528E+20 mv 6 88 35 107 0 + 4 e 10 19 etot -8.5024E+01 mv 6 88 191 44 0 c 44 0.0 0.0 + 4 e 123 9 etot -8.3578E+01 mv 6 88 13 171 0 + -1 e 1 35 etot 1.3528E+20 mv 6 88 101 61 0 + 4 e 148 24 etot -8.3401E+01 mv 6 88 35 14 0 + 4 e 228 1 etot -8.7304E+01 mv 6 88 13 139 0 + 4 e 219 13 etot -9.1488E+01 mv 6 88 191 27 0 + 4 e 226 5 etot -7.9195E+01 mv 6 88 13 120 0 + 4 e 232 14 etot -6.9547E+01 mv 6 88 191 110 0 + 4 e 244 16 etot -8.4738E+01 mv 6 88 191 97 0 + -1 e 1 42 etot 1.3528E+20 mv 6 88 106 142 0 + 4 e 249 32 etot -8.8240E+01 mv 6 88 101 186 0 + 4 e 248 33 etot -9.0193E+01 mv 6 88 101 170 0 + 4 e 254 28 etot -8.2286E+01 mv 6 88 35 43 0 + 4 e 253 11 etot -8.4738E+01 mv 6 88 191 109 0 + 4 e 259 27 etot -9.0083E+01 mv 6 88 35 68 0 + 4 e 276 8 etot -8.8167E+01 mv 6 88 13 7 0 + 4 e 303 26 etot -8.6458E+01 mv 6 88 35 140 0 + 4 e 296 6 etot -8.6332E+01 mv 6 88 13 171 0 + 4 e 399 3 etot -8.3108E+01 mv 6 88 13 45 0 + -1 e 1 52 etot 4.6758E+27 mv 6 88 65 158 0 + 4 e 345 18 etot -8.6186E+01 mv 6 88 191 178 0 + 4 e 244 36 etot -7.2344E+01 mv 6 88 101 169 0 + 4 e 379 4 etot -7.4506E+01 mv 6 88 13 129 0 + 4 e 140 41 etot -6.6867E+01 mv 6 88 106 112 0 + 4 e 404 29 etot -7.9561E+01 mv 6 88 35 152 0 + 4 e 321 37 etot -7.7326E+01 mv 6 88 101 6 0 + 4 e 484 12 etot -8.8916E+01 mv 6 88 191 114 0 + 4 e 359 38 etot -8.8110E+01 mv 6 88 101 97 0 + 4 e 220 46 etot -9.0153E+01 mv 6 88 106 112 0 + 4 e 214 47 etot -9.0153E+01 mv 6 88 106 8 0 + 4 e 15 62 etot -8.5603E+01 mv 6 88 197 36 0 c 36 0.0 0.0 + 4 e 127 56 etot -7.8051E+01 mv 6 88 65 179 0 + 4 e 714 2 etot -7.7451E+01 mv 6 88 13 80 0 + 4 e 224 57 etot -8.9446E+01 mv 6 88 65 121 0 + 4 e 289 22 etot -8.6811E+01 mv 6 88 35 117 0 + 4 e 312 40 etot -9.0008E+01 mv 6 88 101 105 0 + 4 e 295 48 etot -9.0193E+01 mv 6 88 106 122 0 + 4 e 280 23 etot -8.0259E+01 mv 6 88 35 14 0 + 4 e 324 53 etot -7.8275E+01 mv 6 88 65 25 0 + 4 e 600 10 etot -8.2812E+01 mv 6 88 13 138 0 + 4 e 16 68 etot -8.6035E+01 mv 6 88 197 189 0 c 189 0.0 0.0 + 4 e 561 7 etot -8.3035E+01 mv 6 88 13 114 0 + 4 e 446 39 etot -8.1791E+01 mv 6 88 101 193 0 + -1 e 1 76 etot 1.3528E+20 mv 6 88 66 26 0 + 4 e 28 77 etot -8.5196E+01 mv 6 88 66 169 0 c 169 0.1 0.0 + 4 e 214 58 etot -8.7298E+01 mv 6 88 65 64 0 + 4 e 386 49 etot -9.0152E+01 mv 6 88 106 199 0 + 4 e 284 61 etot -7.5598E+01 mv 6 88 197 69 0 + 4 e 370 55 etot -8.2181E+01 mv 6 88 65 141 0 + 4 e 622 34 etot -7.7382E+01 mv 6 88 101 170 0 + 4 e 307 54 etot -8.3697E+01 mv 6 88 65 85 0 + 4 e 443 43 etot -7.7974E+01 mv 6 88 106 144 0 + 4 e 683 17 etot -9.1486E+01 mv 6 88 191 12 0 + 4 e 348 59 etot -8.9228E+01 mv 6 88 65 7 0 + -1 e 1 86 etot 1.3528E+20 mv 6 88 37 27 0 + 4 e 396 51 etot -8.9061E+01 mv 6 88 65 149 0 + 4 e 68 81 etot -8.6260E+01 mv 6 88 37 10 0 c 10 0.4 0.0 + 4 e 366 21 etot -9.0276E+01 mv 6 88 35 108 0 + 4 e 222 72 etot -8.8215E+01 mv 6 88 66 34 0 + 4 e 738 25 etot -8.9681E+01 mv 6 88 35 30 0 + 4 e 397 60 etot -8.9444E+01 mv 6 88 65 57 0 + 4 e 327 66 etot -8.2281E+01 mv 6 88 197 98 0 + 4 e 291 69 etot -8.3978E+01 mv 6 88 197 107 0 + 4 e 524 44 etot -8.5892E+01 mv 6 88 106 116 0 + 4 e 203 84 etot -7.8944E+01 mv 6 88 37 172 0 + 4 e 428 67 etot -7.3515E+01 mv 6 88 197 54 0 + 4 e 212 88 etot -8.9248E+01 mv 6 88 37 174 0 + 4 e 267 82 etot -8.9073E+01 mv 6 88 37 10 0 + 4 e 581 63 etot -8.5395E+01 mv 6 88 197 104 0 + 4 e 302 85 etot -8.7585E+01 mv 6 88 37 149 0 + 4 e 436 80 etot -8.7876E+01 mv 6 88 66 97 0 + 4 e 316 87 etot -7.1799E+01 mv 6 88 37 83 0 + 4 e 379 83 etot -8.4842E+01 mv 6 88 37 25 0 + 4 e 322 89 etot -8.2398E+01 mv 6 88 37 115 0 + 4 e 375 70 etot -8.4743E+01 mv 6 88 197 85 0 + 4 e 172 99 etot -7.6259E+01 mv 6 88 81 99 0 + 4 e 386 45 etot -8.4639E+01 mv 6 88 106 149 0 + 4 e 265 96 etot -8.2104E+01 mv 6 88 81 182 0 + 4 e 487 64 etot -7.9720E+01 mv 6 88 197 93 0 + 4 e 247 93 etot -8.8634E+01 mv 6 88 81 93 0 + -1 e 1 113 etot 1.3528E+20 mv 6 88 187 110 0 + -1 e 1 114 etot 1.3528E+20 mv 6 88 187 3 0 + 4 e 33 111 etot -8.6003E+01 mv 6 88 187 188 0 c 188 0.0 0.0 + 4 e 564 75 etot -8.3740E+01 mv 6 88 66 107 0 + 4 e 567 78 etot -9.0497E+01 mv 6 88 66 113 0 + 4 e 276 98 etot -8.6073E+01 mv 6 88 81 59 0 + 4 e 671 65 etot -8.9186E+01 mv 6 88 197 97 0 + 4 e 368 95 etot -7.1720E+01 mv 6 88 81 3 0 + 4 e 378 79 etot -8.0869E+01 mv 6 88 66 30 0 + 4 e 521 20 etot -8.0478E+01 mv 6 88 191 189 0 + 4 e 435 94 etot -8.6600E+01 mv 6 88 81 17 0 + -1 e 1 124 etot 1.3528E+20 mv 6 88 4 176 0 + 4 e 739 50 etot -8.5426E+01 mv 6 88 106 75 0 + 4 e 218 105 etot -8.5048E+01 mv 6 88 59 87 0 + 4 e 719 73 etot -8.2969E+01 mv 6 88 66 60 0 + 4 e 545 92 etot -8.5539E+01 mv 6 88 81 177 0 + -1 e 1 129 etot 1.3528E+20 mv 6 88 4 31 0 + 4 e 286 103 etot -8.8158E+01 mv 6 88 59 83 0 + 4 e 237 107 etot -8.5600E+01 mv 6 88 59 2 0 + -1 e 1 132 etot 1.3528E+20 mv 6 88 142 55 0 + 4 e 585 90 etot -8.0688E+01 mv 6 88 37 197 0 + 4 e 301 102 etot -6.6149E+01 mv 6 88 59 188 0 + 4 e 287 104 etot -8.7796E+01 mv 6 88 59 183 0 + 4 e 398 101 etot -7.9521E+01 mv 6 88 59 120 0 + 4 e 137 125 etot -6.0542E+01 mv 6 88 4 80 0 + 4 e 713 31 etot -8.9852E+01 mv 6 88 101 106 0 + 4 e 272 109 etot -8.8573E+01 mv 6 88 59 112 0 + -1 e 1 140 etot 1.3528E+20 mv 6 88 142 128 0 + 4 e 309 106 etot -8.6095E+01 mv 6 88 59 163 0 + 4 e 348 97 etot -8.8149E+01 mv 6 88 81 33 0 + 4 e 231 121 etot -8.9262E+01 mv 6 88 4 47 0 + 4 e 271 117 etot -6.7203E+01 mv 6 88 187 110 0 + 4 e 308 74 etot -8.0049E+01 mv 6 88 66 188 0 + 4 e 303 116 etot -6.7889E+01 mv 6 88 187 90 0 + 4 e 525 100 etot -8.2398E+01 mv 6 88 81 64 0 + 4 e 301 118 etot -8.2919E+01 mv 6 88 187 131 0 + 4 e 239 115 etot -7.3298E+01 mv 6 88 187 83 0 + 4 e 266 112 etot -8.8507E+01 mv 6 88 187 24 0 + -1 e 1 151 etot 1.3528E+20 mv 6 88 176 125 0 + 4 e 357 119 etot -8.3891E+01 mv 6 88 187 25 0 + 4 e 271 127 etot -8.9133E+01 mv 6 88 4 198 0 + 4 e 232 130 etot -8.7933E+01 mv 6 88 4 52 0 + 4 e 2 155 etot -9.0761E+01 mv 6 88 176 191 0 + 4 e 325 108 etot -8.3152E+01 mv 6 88 59 111 0 + 4 e 229 137 etot -8.4267E+01 mv 6 88 142 95 0 + 4 e 231 123 etot -7.5460E+01 mv 6 88 4 46 0 + 4 e 295 131 etot -8.6762E+01 mv 6 88 142 4 0 + 4 e 255 126 etot -8.2994E+01 mv 6 88 4 192 0 + -1 e 1 161 etot 1.3528E+20 mv 6 88 91 135 0 + 4 e 352 128 etot -8.9549E+01 mv 6 88 4 189 0 + 4 e 177 147 etot -9.0747E+01 mv 6 88 139 92 0 + 4 e 202 145 etot -7.3876E+01 mv 6 88 139 180 0 + 4 e 333 134 etot -7.3082E+01 mv 6 88 142 160 0 + 4 e 333 122 etot -8.9133E+01 mv 6 88 4 165 0 + 4 e 183 158 etot -7.0948E+01 mv 6 88 176 168 0 + 4 e 460 133 etot -8.1029E+01 mv 6 88 142 43 0 + 4 e 256 153 etot -8.0541E+01 mv 6 88 176 138 0 + 4 e 358 144 etot -8.7130E+01 mv 6 88 139 8 0 c 8 112.4 0.4 + 4 e 218 146 etot -8.7900E+01 mv 6 88 139 108 0 + 4 e 473 135 etot -7.5775E+01 mv 6 88 142 119 0 + 4 e 434 138 etot -8.3587E+01 mv 6 88 142 92 0 + 4 e 408 142 etot -8.7900E+01 mv 6 88 139 148 0 + 4 e 423 141 etot -8.7621E+01 mv 6 88 139 62 0 + 4 e 616 120 etot -8.6796E+01 mv 6 88 187 7 0 + -1 e 1 176 etot 1.3528E+20 mv 6 88 74 137 0 + 4 e 635 71 etot -8.1927E+01 mv 6 88 66 96 0 + 4 e 304 154 etot -7.6662E+01 mv 6 88 176 33 0 + 4 e 367 148 etot -8.7649E+01 mv 6 88 139 29 0 + 4 e 379 149 etot -8.7900E+01 mv 6 88 139 147 0 + -1 e 1 182 etot 1.3528E+20 mv 6 88 178 5 0 + 4 e 543 136 etot -7.8283E+01 mv 6 88 142 129 0 + 4 e 508 91 etot -8.7888E+01 mv 6 88 81 176 0 + 4 e 272 143 etot -8.2540E+01 mv 6 88 139 95 0 + 4 e 257 150 etot -8.7351E+01 mv 6 88 139 136 0 + 4 e 294 160 etot -7.9847E+01 mv 6 88 176 196 0 + 4 e 275 164 etot -8.7773E+01 mv 6 88 91 128 0 + 4 e 261 166 etot -7.8923E+01 mv 6 88 91 57 0 + 4 e 267 165 etot -8.4748E+01 mv 6 88 91 26 0 + 4 e 277 152 etot -8.7890E+01 mv 6 88 176 113 0 + 4 e 222 168 etot -8.5686E+01 mv 6 88 91 138 0 + 4 e 191 173 etot -8.6683E+01 mv 6 88 74 90 0 + 4 e 279 159 etot -7.7694E+01 mv 6 88 176 66 0 + 4 e 339 110 etot -8.6724E+01 mv 6 88 59 71 0 + 4 e 212 177 etot -8.1292E+01 mv 6 88 74 141 0 + 4 e 316 157 etot -8.7890E+01 mv 6 88 176 162 0 + -1 e 1 198 etot 1.3528E+20 mv 6 88 62 149 0 + 4 e 198 180 etot -8.6350E+01 mv 6 88 74 68 0 + 4 e 309 162 etot -8.4754E+01 mv 6 88 91 70 0 + 4 e 270 175 etot -8.8147E+01 mv 6 88 74 70 0 + 4 e 285 170 etot -8.8221E+01 mv 6 88 91 158 0 + -1 e 1 202 etot 1.2309E+31 mv 2 88 13 -3 0 + 4 e 295 169 etot -7.6684E+01 mv 6 88 91 58 0 + 4 e 547 156 etot -9.0083E+01 mv 6 88 176 37 0 + 4 e 306 171 etot -7.2933E+01 mv 6 88 74 143 0 + 4 e 200 167 etot -8.5196E+01 mv 6 88 91 169 0 + 4 e 306 174 etot -8.8146E+01 mv 6 88 74 97 0 + 4 e 211 185 etot -6.7994E+01 mv 6 88 178 120 0 + 4 e 316 183 etot -8.4734E+01 mv 6 88 178 131 0 + 4 e 263 172 etot -8.8083E+01 mv 6 88 74 55 0 + -1 e 1 212 etot 1.3528E+20 mv 2 88 35 -63 0 + 4 e 522 163 etot -8.5291E+01 mv 6 88 91 177 0 + 4 e 318 184 etot -8.1885E+01 mv 6 88 178 132 0 + 4 e 302 188 etot -8.5247E+01 mv 6 88 178 108 0 + 4 e 253 179 etot -8.8147E+01 mv 6 88 74 23 0 + 4 e 275 191 etot -8.9220E+01 mv 6 88 62 65 0 + 4 e 367 181 etot -7.2474E+01 mv 6 88 178 97 0 + 4 e 245 194 etot -8.5366E+01 mv 6 88 62 156 0 + 4 e 320 189 etot -8.6149E+01 mv 6 88 178 146 0 + 4 e 175 205 etot -8.8871E+01 mv 2 88 13 191 0 + 4 e 346 190 etot -8.3895E+01 mv 6 88 178 197 0 + 4 e 186 206 etot -9.0761E+01 mv 2 88 191 71 0 + 4 e 441 139 etot -8.5862E+01 mv 6 88 142 147 0 + 4 e 271 192 etot -8.3695E+01 mv 6 88 62 143 0 + 4 e 345 193 etot -8.8220E+01 mv 6 88 62 50 0 + 4 e 553 178 etot -8.5994E+01 mv 6 88 74 10 0 + 4 e 287 204 etot -8.8501E+01 mv 2 88 13 6 0 + 4 e 396 197 etot -8.2169E+01 mv 6 88 62 197 0 + 4 e 356 200 etot -8.5778E+01 mv 6 88 62 134 0 + 4 e 273 196 etot -8.7492E+01 mv 6 88 62 16 0 + 4 e 322 209 etot -7.4768E+01 mv 2 88 191 184 0 + 4 e 173 221 etot -9.0153E+01 mv 2 88 106 -71 0 + 4 e 165 223 etot -9.0153E+01 mv 2 88 106 -194 0 + 4 e 245 215 etot -9.0850E+01 mv 2 88 35 199 0 + 4 e 190 210 etot -9.0761E+01 mv 2 88 191 136 0 + 4 e 200 217 etot -9.0193E+01 mv 2 88 101 121 0 + -1 e 1 238 etot 1.3528E+20 mv 2 88 66 -74 0 + 4 e 403 207 etot -7.9560E+01 mv 2 88 191 -96 0 + 4 e 322 211 etot -8.1317E+01 mv 2 88 35 -27 0 + 4 e 312 201 etot -8.8826E+01 mv 2 88 13 -163 0 + 4 e 347 216 etot -9.0193E+01 mv 2 88 101 58 0 + 4 e 414 186 etot -8.5458E+01 mv 6 88 178 138 0 + 4 e 465 203 etot -8.8868E+01 mv 2 88 13 -52 0 + 4 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etot -8.8115E+01 mv 2 88 4 55 0 + 4 e 320 249 etot -8.7354E+01 mv 2 88 81 5 0 + 4 e 454 232 etot -8.3820E+01 mv 2 88 197 -4 0 + 4 e 138 270 etot -6.9434E+01 mv 2 88 142 -53 0 + 4 e 230 271 etot -8.7900E+01 mv 2 88 139 163 0 + -1 e 1 291 etot 1.3528E+20 mv 2 88 178 127 0 + 4 e 474 255 etot -7.8208E+01 mv 2 88 59 -13 0 + -1 e 1 293 etot 1.3528E+20 mv 2 88 178 138 0 + 4 e 470 237 etot -7.6809E+01 mv 2 88 66 -38 0 + 4 e 254 272 etot -7.3697E+01 mv 2 88 139 -178 0 + 4 e 315 263 etot -8.8115E+01 mv 2 88 4 -24 0 + 4 e 285 268 etot -8.7416E+01 mv 2 88 142 137 0 + 4 e 174 281 etot -8.7814E+01 mv 2 88 91 -85 0 + 4 e 175 280 etot -8.7891E+01 mv 2 88 176 61 0 + 4 e 206 278 etot -6.9403E+01 mv 2 88 176 -98 0 + 4 e 358 262 etot -8.3691E+01 mv 2 88 4 -105 0 + 4 e 284 261 etot -8.8115E+01 mv 2 88 4 -119 0 + 4 e 264 277 etot -8.7890E+01 mv 2 88 176 68 0 + 4 e 287 264 etot -6.7431E+01 mv 2 88 4 146 0 + 4 e 280 275 etot -8.7900E+01 mv 2 88 139 167 0 + 4 e 384 269 etot -8.7424E+01 mv 2 88 142 -83 0 + 4 e 266 285 etot -8.7814E+01 mv 2 88 91 49 0 + 4 e 220 290 etot -8.8147E+01 mv 2 88 74 -10 0 + 4 e 125 295 etot -7.0148E+01 mv 2 88 178 47 0 + 4 e 337 282 etot -8.1547E+01 mv 2 88 91 60 0 + 4 e 406 274 etot -7.1100E+01 mv 2 88 139 -196 0 + 4 e 212 300 etot -8.7623E+01 mv 2 88 62 104 0 + 4 e 344 287 etot -8.0491E+01 mv 2 88 74 58 0 + 4 e 573 247 etot -8.6056E+01 mv 2 88 81 161 0 + 4 e 523 273 etot -8.0053E+01 mv 2 88 139 -32 0 + 4 e 606 244 etot -8.3371E+01 mv 2 88 37 189 0 + 4 e 247 301 etot -8.8871E+01 mv 1 88 13 75 0 + 4 e 238 288 etot -8.8147E+01 mv 2 88 74 191 0 + 4 e 546 252 etot -8.6052E+01 mv 2 88 59 157 0 + 4 e 674 239 etot -8.0398E+01 mv 2 88 66 -60 0 + 4 e 274 302 etot -8.8870E+01 mv 1 88 13 197 0 + 4 e 346 292 etot -7.3743E+01 mv 2 88 178 62 0 + 4 e 148 311 etot -9.0850E+01 mv 1 88 35 -39 0 + -1 e 1 324 etot 1.3528E+20 mv 1 88 106 101 0 + 4 e 358 279 etot -7.6373E+01 mv 2 88 176 69 0 + 4 e 345 296 etot -8.7620E+01 mv 2 88 62 -158 0 + 4 e 520 283 etot -8.7812E+01 mv 2 88 91 -192 0 + 4 e 226 309 etot -7.9759E+01 mv 1 88 191 -59 0 + 4 e 377 297 etot -8.7622E+01 mv 2 88 62 187 0 + 4 e 397 298 etot -8.7622E+01 mv 2 88 62 187 0 + 4 e 225 305 etot -8.8167E+01 mv 1 88 13 189 0 + 4 e 428 294 etot -7.7231E+01 mv 2 88 178 -191 0 + 4 e 173 316 etot -9.0144E+01 mv 1 88 101 -80 0 + 4 e 346 306 etot -9.0202E+01 mv 1 88 191 36 0 + 4 e 112 327 etot -8.1657E+01 mv 1 88 65 -148 0 + 4 e 239 313 etot -9.0850E+01 mv 1 88 35 15 0 + 4 e 304 312 etot -9.0849E+01 mv 1 88 35 103 0 + 4 e 283 303 etot -8.8870E+01 mv 1 88 13 141 0 + 4 e 410 289 etot -8.8146E+01 mv 2 88 74 171 0 + 4 e 261 318 etot -8.7381E+01 mv 1 88 101 121 0 + 4 e 313 314 etot -9.0849E+01 mv 1 88 35 -23 0 + 4 e 267 310 etot -8.3400E+01 mv 1 88 191 -131 0 + 4 e 603 267 etot -8.0197E+01 mv 2 88 142 12 0 + 4 e 446 307 etot -8.0604E+01 mv 1 88 191 -137 0 + 4 e 440 308 etot -9.0759E+01 mv 1 88 191 -133 0 + 4 e 525 304 etot -8.4035E+01 mv 1 88 13 -117 0 + 4 e 294 325 etot -6.9316E+01 mv 1 88 106 124 0 + 4 e 619 299 etot -8.1859E+01 mv 2 88 62 -22 0 + 4 e 277 315 etot -9.0849E+01 mv 1 88 35 6 0 + 4 e 280 317 etot -7.3938E+01 mv 1 88 101 -81 0 + -1 e 1 351 etot 1.3528E+20 mv 1 88 59 38 0 + -1 e 1 352 etot 1.3528E+20 mv 1 88 59 168 0 + 4 e 292 329 etot -8.7810E+01 mv 1 88 65 61 0 + 4 e 213 336 etot -8.9261E+01 mv 1 88 66 112 0 + 4 e 217 337 etot -6.5074E+01 mv 1 88 66 -146 0 + 4 e 328 330 etot -8.9445E+01 mv 1 88 65 -31 0 + 4 e 278 321 etot -8.9863E+01 mv 1 88 106 124 0 + 4 e 408 323 etot -8.0420E+01 mv 1 88 106 -65 0 + -1 e 1 359 etot 1.3528E+20 mv 1 88 187 -64 0 + 4 e 386 328 etot -8.9399E+01 mv 1 88 65 106 0 + 4 e 183 348 etot -8.8634E+01 mv 1 88 81 92 0 + 4 e 381 333 etot -8.9187E+01 mv 1 88 197 -41 0 + 4 e 288 332 etot -7.7949E+01 mv 1 88 197 30 0 + 4 e 246 346 etot -8.7295E+01 mv 1 88 81 28 0 + 4 e 132 353 etot -7.0018E+01 mv 1 88 59 43 0 + 4 e 670 286 etot -8.7614E+01 mv 2 88 74 -163 0 + 4 e 344 326 etot -8.9040E+01 mv 1 88 65 -67 0 + 4 e 461 331 etot -8.7003E+01 mv 1 88 197 173 0 + 4 e 234 340 etot -8.8968E+01 mv 1 88 66 107 0 + 4 e 234 354 etot -7.1681E+01 mv 1 88 59 -155 0 + 4 e 479 334 etot -7.0561E+01 mv 1 88 197 -71 0 + 4 e 317 345 etot -8.9247E+01 mv 1 88 37 -105 0 + 4 e 313 347 etot -8.0114E+01 mv 1 88 81 -58 0 + 4 e 227 356 etot -8.8508E+01 mv 1 88 187 -194 0 + 4 e 287 339 etot -8.9260E+01 mv 1 88 66 6 0 + 4 e 321 349 etot -8.8632E+01 mv 1 88 81 -86 0 + 4 e 241 360 etot -8.6381E+01 mv 1 88 187 76 0 + 4 e 492 319 etot -8.8789E+01 mv 1 88 101 -137 0 + 4 e 284 344 etot -8.8893E+01 mv 1 88 37 -141 0 + 4 e 136 365 etot -8.8116E+01 mv 1 88 4 32 0 + 4 e 485 320 etot -8.8789E+01 mv 1 88 101 -163 0 + 4 e 464 341 etot -8.2199E+01 mv 1 88 37 -61 0 + 4 e 308 343 etot -8.0967E+01 mv 1 88 37 -185 0 + 4 e 263 361 etot -8.8115E+01 mv 1 88 4 104 0 + 4 e 259 350 etot -8.8634E+01 mv 1 88 81 -36 0 + 4 e 250 363 etot -8.8116E+01 mv 1 88 4 167 0 + 4 e 266 362 etot -7.7384E+01 mv 1 88 4 118 0 + 4 e 280 322 etot -9.0153E+01 mv 1 88 106 -110 0 + 4 e 167 378 etot -8.7890E+01 mv 1 88 176 -85 0 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88 66 0 0 + 4 e 2 409 etot -8.9075E+01 mv 0 88 37 0 0 + 4 e 2 411 etot -8.8574E+01 mv 0 88 59 0 0 + 4 e 12 410 etot -8.8634E+01 mv 0 88 81 0 0 c 81 0.0 0.0 + 4 e 283 383 etot -7.2836E+01 mv 1 88 91 -111 0 + 4 e 10 413 etot -8.8116E+01 mv 0 88 4 0 0 c 4 0.0 0.0 + 4 e 2 414 etot -8.8225E+01 mv 0 88 142 0 0 + 4 e 2 415 etot -8.7901E+01 mv 0 88 139 0 0 + 4 e 2 416 etot -8.7891E+01 mv 0 88 176 0 0 + 4 e 2 418 etot -8.8147E+01 mv 0 88 74 0 0 +## N0 total= 20 close= 5 far= 0 %acc 25.0 +## N1 total= 100 close= 1 far= 0 %acc 1.0 +## N2 total= 100 close= 1 far= 0 %acc 1.0 +## N3 total= 0 close= 0 far= 0 %acc 0.0 +## N4 total= 0 close= 0 far= 0 %acc 0.0 +## N5 total= 0 close= 0 far= 0 %acc 0.0 +## N6 total= 200 close= 7 far= 0 %acc 3.5 +## N7 total= 0 close= 0 far= 0 %acc 0.0 +## N8 total= 0 close= 0 far= 0 %acc 0.0 +## N9 total= 0 close= 0 far= 0 %acc 0.0 +##N10 total= 0 close= 0 far= 0 %acc 0.0 +##N11 total= 0 close= 0 far= 0 %acc 0.0 +##N12 total= 0 close= 0 far= 0 %acc 0.0 +##N13 total= 0 close= 0 far= 0 %acc 0.0 +##N14 total= 0 close= 0 far= 0 %acc 0.0 +##N15 total= 0 close= 0 far= 0 %acc 0.0 +##N16 total= 0 close= 0 far= 0 %acc 0.0 +##N17 total= 0 close= 0 far= 0 %acc 0.0 +##N18 total= 0 close= 0 far= 0 %acc 0.0 + Time for refresh 89 0.32 + make_var : nseed= 20 ntry= 420 + Time for make trial 90 0.08 +Nonsetup time 189.45 sec, Eval/s = 57918.50 +Time for iter 90 1.77 sec, Eval/s = 64636.05 + UPDATING 420 + 4 e 2 417 etot -8.7814E+01 mv 0 88 91 0 0 + 4 e 336 389 etot -8.0183E+01 mv 1 88 74 71 0 + 4 e 116 412 etot -8.8508E+01 mv 0 88 187 0 0 c 187 0.5 0.0 + 4 e 10 419 etot -8.7740E+01 mv 0 88 178 0 0 c 178 0.0 0.0 + 4 e 78 420 etot -8.7624E+01 mv 0 88 62 0 0 c 62 0.7 0.0 + 4 e 152 398 etot -8.7624E+01 mv 1 88 62 22 0 + 4 e 219 399 etot -8.7623E+01 mv 1 88 62 147 0 + 4 e 273 387 etot -8.8147E+01 mv 1 88 74 -54 0 + 4 e 481 375 etot -8.3836E+01 mv 1 88 139 -158 0 + 4 e 232 388 etot -8.8147E+01 mv 1 88 74 30 0 + 4 e 365 393 etot -8.0485E+01 mv 1 88 178 -175 0 + 4 e 488 390 etot -7.8442E+01 mv 1 88 74 -75 0 + -1 e 1 4 etot 1.3528E+20 mv 6 89 52 115 0 + 4 e 288 396 etot -8.4170E+01 mv 1 88 62 -46 0 + 4 e 435 381 etot -8.7813E+01 mv 1 88 91 -65 0 + -1 e 1 6 etot 1.3528E+20 mv 6 89 52 41 0 + 4 e 226 391 etot -8.7740E+01 mv 1 88 178 116 0 + 4 e 341 395 etot -7.4026E+01 mv 1 88 178 143 0 + 4 e 483 372 etot -8.7899E+01 mv 1 88 139 109 0 + -1 e 1 12 etot 1.3528E+20 mv 6 89 33 75 0 + 4 e 476 377 etot -8.0317E+01 mv 1 88 176 64 0 + 4 e 406 397 etot -8.7623E+01 mv 1 88 62 -55 0 + 4 e 217 382 etot -8.7482E+01 mv 1 88 91 -9 0 + 4 e 375 384 etot -6.8048E+01 mv 1 88 91 96 0 + 4 e 356 368 etot -8.8223E+01 mv 1 88 142 60 0 + 4 e 471 358 etot -7.9751E+01 mv 1 88 187 193 0 + 4 e 273 380 etot -8.0678E+01 mv 1 88 176 -31 0 + 4 e 531 376 etot -8.7888E+01 mv 1 88 176 -174 0 + 4 e 396 392 etot -7.8270E+01 mv 1 88 178 -180 0 + 4 e 241 394 etot -8.6484E+01 mv 1 88 178 -172 0 + 4 e 306 386 etot -8.8147E+01 mv 1 88 74 -171 0 + 4 e 291 400 etot -8.7623E+01 mv 1 88 62 163 0 + 4 e 573 379 etot -8.0899E+01 mv 1 88 176 -188 0 + 4 e 38 406 etot -8.9446E+01 mv 0 88 65 0 0 c 65 0.0 0.0 + -1 e 1 30 etot 1.3528E+20 mv 6 89 92 80 0 + -1 e 1 34 etot 1.3528E+20 mv 6 89 6 49 0 + -1 e 1 36 etot 1.3528E+20 mv 6 89 6 131 0 + -1 e 1 37 etot 1.3528E+20 mv 6 89 6 177 0 + 4 e 38 24 etot -8.6372E+01 mv 6 89 92 31 0 c 31 0.1 0.0 + 4 e 83 2 etot -8.5366E+01 mv 6 89 52 156 0 c 156 0.4 0.0 + 4 e 155 20 etot -9.2487E+01 mv 6 89 33 44 0 + 4 e 153 16 etot -8.2926E+01 mv 6 89 33 192 0 + 4 e 191 33 etot -8.3826E+01 mv 6 89 6 44 0 + 4 e 198 27 etot -9.0747E+01 mv 6 89 92 6 0 + 4 e 202 9 etot -8.5824E+01 mv 6 89 52 5 0 + 4 e 218 1 etot -8.6116E+01 mv 6 89 52 6 0 c 52 9.4 0.3 + -1 e 1 46 etot 1.3528E+20 mv 6 89 79 196 0 + 4 e 230 8 etot -8.5824E+01 mv 6 89 52 54 0 + 4 e 243 28 etot -8.9325E+01 mv 6 89 92 174 0 + 4 e 288 13 etot -8.9705E+01 mv 6 89 33 110 0 + 4 e 266 5 etot -7.6906E+01 mv 6 89 52 155 0 + 4 e 259 23 etot -8.3206E+01 mv 6 89 92 136 0 + 4 e 278 7 etot -7.5395E+01 mv 6 89 52 48 0 + 4 e 281 26 etot -6.9868E+01 mv 6 89 92 59 0 + 4 e 275 21 etot -8.9325E+01 mv 6 89 92 51 0 + 4 e 291 32 etot -8.9192E+01 mv 6 89 6 146 0 + 4 e 300 29 etot -7.7971E+01 mv 6 89 92 44 0 + 4 e 380 3 etot -8.4649E+01 mv 6 89 52 23 0 + 4 e 260 39 etot -8.8968E+01 mv 6 89 6 62 0 + -1 e 1 57 etot 1.3528E+20 mv 6 89 125 118 0 + 4 e 306 35 etot -8.9059E+01 mv 6 89 6 137 0 + 4 e 302 15 etot -9.0105E+01 mv 6 89 33 194 0 + 4 e 273 22 etot -8.5394E+01 mv 6 89 92 139 0 + 4 e 370 10 etot -8.4220E+01 mv 6 89 52 48 0 + -1 e 1 64 etot 1.3528E+20 mv 6 89 7 149 0 + 4 e 376 11 etot -7.4931E+01 mv 6 89 33 47 0 + 4 e 359 19 etot -8.5219E+01 mv 6 89 33 56 0 + 4 e 427 40 etot -9.1814E+01 mv 6 89 6 61 0 + 4 e 422 17 etot -8.7788E+01 mv 6 89 33 95 0 + -1 e 1 69 etot 1.3528E+20 mv 6 89 7 15 0 + -1 e 1 70 etot 1.3528E+20 mv 6 89 7 1 0 + 4 e 417 18 etot -8.6697E+01 mv 6 89 33 113 0 + 4 e 467 25 etot -7.5959E+01 mv 6 89 92 194 0 + 4 e 429 38 etot -8.3780E+01 mv 6 89 6 93 0 + 4 e 300 42 etot -8.4546E+01 mv 6 89 79 177 0 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etot -9.0024E+01 mv 6 89 79 27 0 + 4 e 223 72 etot -8.8827E+01 mv 6 89 98 180 0 + 4 e 262 75 etot -8.7776E+01 mv 6 89 98 106 0 + -1 e 1 99 etot 1.3528E+20 mv 6 89 137 80 0 + 4 e 327 60 etot -8.8843E+01 mv 6 89 125 37 0 + 4 e 440 44 etot -8.5740E+01 mv 6 89 79 15 0 + 4 e 531 48 etot -9.0785E+01 mv 6 89 79 66 0 + 4 e 167 88 etot -7.4615E+01 mv 6 89 117 176 0 + 4 e 339 71 etot -8.1007E+01 mv 6 89 98 21 0 + 4 e 255 84 etot -8.3892E+01 mv 6 89 117 141 0 + 4 e 343 66 etot -8.4318E+01 mv 6 89 7 160 0 + 4 e 594 51 etot -8.7811E+01 mv 6 89 125 45 0 c 155 93.3 1.9 + 4 e 349 76 etot -7.9704E+01 mv 6 89 98 173 0 + 4 e 229 89 etot -7.8956E+01 mv 6 89 117 29 0 + 4 e 290 86 etot -7.9162E+01 mv 6 89 117 170 0 + -1 e 1 111 etot 1.3528E+20 mv 6 89 32 125 0 + 4 e 363 80 etot -7.1189E+01 mv 6 89 98 90 0 + -1 e 1 113 etot 1.3528E+20 mv 6 89 32 149 0 + -1 e 1 114 etot 1.3528E+20 mv 6 89 32 163 0 + 4 e 266 74 etot -8.8827E+01 mv 6 89 98 114 0 + 4 e 194 98 etot -8.7772E+01 mv 6 89 137 34 0 + 4 e 345 77 etot -8.8292E+01 mv 6 89 98 76 0 + 4 e 222 95 etot -8.6937E+01 mv 6 89 137 181 0 + 4 e 254 81 etot -8.9666E+01 mv 6 89 117 198 0 + 4 e 347 90 etot -7.6683E+01 mv 6 89 117 124 0 + 4 e 338 93 etot -7.7436E+01 mv 6 89 137 91 0 + 4 e 423 87 etot -7.8700E+01 mv 6 89 117 173 0 + 4 e 659 67 etot -8.3094E+01 mv 6 89 7 185 0 + 4 e 327 100 etot -8.6879E+01 mv 6 89 137 164 0 + 4 e 357 83 etot -8.0328E+01 mv 6 89 117 163 0 + 4 e 291 85 etot -7.9015E+01 mv 6 89 117 98 0 + -1 e 1 127 etot 1.3528E+20 mv 6 89 61 191 0 + 4 e 430 92 etot -8.8543E+01 mv 6 89 137 6 0 + 4 e 290 104 etot -8.9424E+01 mv 6 89 140 127 0 + 4 e 228 110 etot -8.7900E+01 mv 6 89 140 139 0 + 4 e 73 123 etot -8.7611E+01 mv 6 89 61 131 0 c 131 0.3 0.0 + -1 e 1 132 etot 1.3528E+20 mv 6 89 131 113 0 + 4 e 281 91 etot -8.6699E+01 mv 6 89 137 113 0 + 4 e 277 96 etot -8.7958E+01 mv 6 89 137 146 0 + 4 e 256 101 etot -8.1670E+01 mv 6 89 140 180 0 + 4 e 237 112 etot -8.6002E+01 mv 6 89 32 162 0 + 4 e 384 103 etot -8.6881E+01 mv 6 89 140 11 0 + 4 e 346 105 etot -8.6831E+01 mv 6 89 140 142 0 + 4 e 309 97 etot -8.9060E+01 mv 6 89 137 47 0 + 4 e 409 79 etot -8.3825E+01 mv 6 89 98 160 0 + -1 e 1 141 etot 1.3528E+20 mv 6 89 58 13 0 + 4 e 161 122 etot -7.8268E+01 mv 6 89 61 10 0 + 4 e 312 102 etot -8.2955E+01 mv 6 89 140 33 0 + 4 e 393 107 etot -8.3052E+01 mv 6 89 140 138 0 + 4 e 11 145 etot -8.8989E+01 mv 6 89 58 46 0 c 46 0.0 0.0 + 4 e 518 73 etot -7.7034E+01 mv 6 89 98 176 0 + -1 e 1 147 etot 1.3528E+20 mv 6 89 58 105 0 + 4 e 359 118 etot -8.7082E+01 mv 6 89 32 133 0 + 4 e 457 109 etot -7.5100E+01 mv 6 89 140 8 0 + 4 e 478 106 etot -7.6844E+01 mv 6 89 140 79 0 + 4 e 273 120 etot -8.6475E+01 mv 6 89 32 112 0 + 4 e 695 59 etot -8.5535E+01 mv 6 89 125 32 0 + -1 e 1 153 etot 1.3528E+20 mv 6 89 42 97 0 + 4 e 205 138 etot -7.6112E+01 mv 6 89 131 113 0 + -1 e 1 155 etot 1.3528E+20 mv 6 89 42 107 0 + 4 e 425 119 etot -8.7758E+01 mv 6 89 32 105 0 + -1 e 1 157 etot 1.3528E+20 mv 6 89 42 18 0 + 4 e 199 126 etot -8.5952E+01 mv 6 89 61 52 0 + 4 e 261 137 etot -7.5186E+01 mv 6 89 131 149 0 + 4 e 566 108 etot -7.0612E+01 mv 6 89 140 76 0 + 4 e 38 154 etot -8.9446E+01 mv 6 89 42 65 0 + 4 e 466 117 etot -8.6378E+01 mv 6 89 32 55 0 + 4 e 298 116 etot -8.5848E+01 mv 6 89 32 2 0 + 4 e 348 124 etot -8.1336E+01 mv 6 89 61 6 0 + 4 e 298 133 etot -8.7603E+01 mv 6 89 131 167 0 + 4 e 169 146 etot -8.7603E+01 mv 6 89 58 162 0 + 4 e 362 125 etot -8.8103E+01 mv 6 89 61 55 0 + 4 e 532 115 etot -8.9047E+01 mv 6 89 32 126 0 + 4 e 221 128 etot -8.5834E+01 mv 6 89 61 71 0 + 4 e 350 131 etot -8.7610E+01 mv 6 89 131 14 0 + 4 e 227 136 etot -7.9117E+01 mv 6 89 131 3 0 + 4 e 365 130 etot -8.6070E+01 mv 6 89 61 121 0 + 4 e 136 148 etot -8.1305E+01 mv 6 89 58 132 0 + 4 e 190 144 etot -8.5041E+01 mv 6 89 58 33 0 + 4 e 322 143 etot -8.0713E+01 mv 6 89 58 192 0 + 4 e 146 158 etot -8.7381E+01 mv 6 89 42 20 0 + 4 e 239 140 etot -8.6160E+01 mv 6 89 131 135 0 + 4 e 383 139 etot -8.5726E+01 mv 6 89 131 108 0 + 4 e 164 152 etot -8.6806E+01 mv 6 89 42 105 0 + 4 e 492 129 etot -8.6563E+01 mv 6 89 61 183 0 + 4 e 624 121 etot -8.4205E+01 mv 6 89 61 44 0 + 4 e 205 167 etot -8.8887E+01 mv 6 89 12 148 0 + 4 e 281 160 etot -7.6051E+01 mv 6 89 42 160 0 + 4 e 270 163 etot -8.6503E+01 mv 6 89 12 190 0 c 113 63.5 1.0 + 4 e 386 150 etot -7.3437E+01 mv 6 89 58 65 0 + 4 e 333 156 etot -8.6551E+01 mv 6 89 42 133 0 + -1 e 1 187 etot 1.3528E+20 mv 6 89 158 177 0 + 4 e 295 161 etot -8.7493E+01 mv 6 89 12 9 0 + 4 e 223 159 etot -8.9248E+01 mv 6 89 42 38 0 + 4 e 250 171 etot -7.6144E+01 mv 6 89 122 35 0 + 4 e 416 149 etot -8.3843E+01 mv 6 89 58 139 0 + 4 e 24 189 etot -8.5722E+01 mv 6 89 158 170 0 c 170 0.1 0.0 + 4 e 316 166 etot -8.6315E+01 mv 6 89 12 149 0 + 4 e 359 165 etot -8.3096E+01 mv 6 89 12 45 0 + 4 e 179 182 etot -8.6172E+01 mv 6 89 158 103 0 + 4 e 138 185 etot -7.8500E+01 mv 6 89 158 195 0 + 4 e 422 134 etot -8.9059E+01 mv 6 89 131 104 0 + 4 e 499 151 etot -8.8831E+01 mv 6 89 42 102 0 + 4 e 313 176 etot -8.5178E+01 mv 6 89 122 186 0 + -1 e 1 200 etot 1.3528E+20 mv 6 89 1 178 0 + 4 e 229 175 etot -8.7939E+01 mv 6 89 122 115 0 + 4 e 406 169 etot -8.2904E+01 mv 6 89 12 28 0 + 4 e 352 177 etot -8.8009E+01 mv 6 89 122 77 0 + 4 e 171 191 etot -8.7891E+01 mv 6 89 1 176 0 + 4 e 263 178 etot -7.7405E+01 mv 6 89 122 52 0 + 4 e 314 172 etot -8.8240E+01 mv 6 89 122 102 0 + 4 e 487 168 etot -7.6681E+01 mv 6 89 12 105 0 + 4 e 461 173 etot -8.5431E+01 mv 6 89 122 68 0 + -1 e 1 209 etot 1.3528E+20 mv 2 89 33 86 0 + 4 e 304 170 etot -8.1384E+01 mv 6 89 12 150 0 + 4 e 251 180 etot -7.0047E+01 mv 6 89 122 60 0 + 4 e 491 142 etot -8.3660E+01 mv 6 89 58 23 0 + 4 e 147 201 etot -8.5824E+01 mv 2 89 52 -12 0 + 4 e 373 162 etot -7.7905E+01 mv 6 89 12 143 0 + 4 e 614 135 etot -7.6037E+01 mv 6 89 131 169 0 + 4 e 314 186 etot -8.8161E+01 mv 6 89 158 60 0 + 4 e 241 196 etot -8.5060E+01 mv 6 89 1 3 0 + 4 e 312 194 etot -8.3876E+01 mv 6 89 1 164 0 + 4 e 337 193 etot -8.6896E+01 mv 6 89 1 39 0 + -1 e 1 220 etot 1.3528E+20 mv 2 89 6 -31 0 + 4 e 362 174 etot -7.4262E+01 mv 6 89 122 109 0 + 4 e 423 183 etot -8.8402E+01 mv 6 89 158 58 0 + 4 e 223 204 etot -8.5824E+01 mv 2 89 52 109 0 + 4 e 286 197 etot -7.6274E+01 mv 6 89 1 101 0 + 4 e 182 202 etot -7.8808E+01 mv 2 89 52 134 0 + 4 e 267 190 etot -8.6628E+01 mv 6 89 158 128 0 + 4 e 171 210 etot -9.0348E+01 mv 2 89 33 61 0 + 4 e 455 184 etot -8.2633E+01 mv 6 89 158 108 0 + -1 e 1 229 etot 1.3528E+20 mv 2 89 125 -49 0 + 4 e 258 203 etot -8.4784E+01 mv 2 89 52 -33 0 + 4 e 595 179 etot -7.7628E+01 mv 6 89 122 199 0 + 4 e 557 181 etot -8.3019E+01 mv 6 89 158 1 0 + -1 e 1 233 etot 1.3528E+20 mv 2 89 7 -93 0 + -1 e 1 234 etot 1.3528E+20 mv 2 89 7 89 0 + 4 e 227 208 etot -9.0348E+01 mv 2 89 33 120 0 + 4 e 447 192 etot -8.8012E+01 mv 6 89 1 18 0 + 4 e 281 205 etot -8.5824E+01 mv 2 89 52 1 0 + 4 e 208 198 etot -8.7602E+01 mv 6 89 1 16 0 + -1 e 1 239 etot 1.3528E+20 mv 2 89 98 -55 0 + 4 e 406 195 etot -7.7824E+01 mv 6 89 1 120 0 + 4 e 501 188 etot -7.7832E+01 mv 6 89 158 168 0 + -1 e 1 242 etot 1.3528E+20 mv 2 89 117 172 0 + -1 e 1 243 etot 4.6964E+22 mv 2 89 117 197 0 + 4 e 518 164 etot -8.9933E+01 mv 6 89 12 62 0 + -1 e 1 245 etot 1.3528E+20 mv 2 89 117 -88 0 + -1 e 1 246 etot 1.3528E+20 mv 2 89 137 -191 0 + 4 e 195 207 etot -9.0348E+01 mv 2 89 33 193 0 + 4 e 225 217 etot -6.6304E+01 mv 2 89 6 -197 0 + 4 e 166 211 etot -9.0747E+01 mv 2 89 92 -118 0 + -1 e 1 249 etot 1.3528E+20 mv 2 89 137 -145 0 + 4 e 153 216 etot -9.0235E+01 mv 2 89 6 175 0 + 4 e 147 230 etot -8.8843E+01 mv 2 89 125 132 0 + 4 e 309 214 etot -7.6634E+01 mv 2 89 92 -149 0 + 4 e 273 206 etot -7.6657E+01 mv 2 89 33 -116 0 + 4 e 229 223 etot -8.9030E+01 mv 2 89 79 173 0 + 4 e 213 228 etot -8.8843E+01 mv 2 89 125 89 0 + 4 e 272 212 etot -8.3847E+01 mv 2 89 92 15 0 + 4 e 177 227 etot -6.6545E+01 mv 2 89 125 -158 0 + 4 e 209 235 etot -8.8779E+01 mv 2 89 7 195 0 + 4 e 299 219 etot -8.1340E+01 mv 2 89 6 76 0 + 4 e 346 218 etot -7.9562E+01 mv 2 89 6 -139 0 + 4 e 229 236 etot -8.8722E+01 mv 2 89 98 136 0 + 4 e 263 232 etot -7.4909E+01 mv 2 89 7 -166 0 + 4 e 326 224 etot -8.7372E+01 mv 2 89 79 -189 0 + 4 e 593 199 etot -8.0682E+01 mv 6 89 1 110 0 + 4 e 259 238 etot -6.8479E+01 mv 2 89 98 -61 0 + 4 e 305 213 etot -8.7793E+01 mv 2 89 92 -2 0 + 4 e 217 251 etot -8.7769E+01 mv 2 89 140 -183 0 + 4 e 178 240 etot -8.8293E+01 mv 2 89 98 -70 0 + 4 e 386 221 etot -7.9890E+01 mv 2 89 79 -16 0 + 4 e 200 253 etot -8.7769E+01 mv 2 89 140 153 0 + 4 e 301 237 etot -8.0606E+01 mv 2 89 98 147 0 + 4 e 273 244 etot -8.0116E+01 mv 2 89 117 169 0 + 4 e 224 254 etot -7.6860E+01 mv 2 89 140 127 0 + 4 e 206 248 etot -7.8061E+01 mv 2 89 137 44 0 + 4 e 428 225 etot -8.9398E+01 mv 2 89 79 97 0 + 4 e 337 215 etot -7.9166E+01 mv 2 89 92 -180 0 + 4 e 312 222 etot -8.9030E+01 mv 2 89 79 -93 0 + -1 e 1 279 etot 1.3528E+20 mv 2 89 42 29 0 + 4 e 194 263 etot -8.8104E+01 mv 2 89 61 175 0 + 4 e 288 247 etot -7.3345E+01 mv 2 89 137 -15 0 + 4 e 451 241 etot -8.6299E+01 mv 2 89 117 120 0 + 4 e 163 273 etot -8.7603E+01 mv 2 89 58 148 0 + 4 e 310 257 etot -6.8858E+01 mv 2 89 32 -180 0 + 4 e 335 256 etot -8.2293E+01 mv 2 89 32 151 0 + 4 e 313 264 etot -7.3794E+01 mv 2 89 61 122 0 + 4 e 308 265 etot -7.9110E+01 mv 2 89 61 81 0 + 4 e 307 267 etot -7.5673E+01 mv 2 89 131 132 0 + -1 e 1 289 etot 3.1986E+24 mv 2 89 122 -171 0 + 4 e 293 271 etot -7.8214E+01 mv 2 89 58 -194 0 + 4 e 329 266 etot -7.5673E+01 mv 2 89 131 -47 0 + 4 e 277 274 etot -7.6985E+01 mv 2 89 58 167 0 + 4 e 306 255 etot -7.7267E+01 mv 2 89 140 47 0 + 4 e 228 268 etot -7.4631E+01 mv 2 89 131 -8 0 + 4 e 374 250 etot -8.5967E+01 mv 2 89 137 184 0 + 4 e 167 283 etot -6.1910E+01 mv 2 89 12 47 0 + 4 e 134 282 etot -6.3563E+01 mv 2 89 12 -154 0 + 4 e 446 260 etot -8.7756E+01 mv 2 89 32 -47 0 + 4 e 283 277 etot -8.6768E+01 mv 2 89 42 -23 0 + -1 e 1 300 etot 1.3528E+20 mv 2 89 1 58 0 + 4 e 257 281 etot -8.7493E+01 mv 2 89 12 7 0 + 4 e 165 292 etot -7.1104E+01 mv 2 89 158 26 0 + 4 e 251 286 etot -8.7939E+01 mv 2 89 122 -5 0 + 4 e 385 259 etot -7.8966E+01 mv 2 89 32 85 0 + 4 e 475 252 etot -7.5368E+01 mv 2 89 140 -84 0 + 4 e 485 272 etot -8.2825E+01 mv 2 89 58 -110 0 + -1 e 1 307 etot 1.3528E+20 mv 1 89 33 -24 0 + 4 e 282 278 etot -7.5037E+01 mv 2 89 42 -48 0 + 4 e 847 231 etot -8.8569E+01 mv 2 89 7 59 0 + 4 e 331 285 etot -8.8123E+01 mv 2 89 12 13 0 c 12 162.7 0.6 + 4 e 635 261 etot -8.0155E+01 mv 2 89 61 -34 0 + 4 e 376 270 etot -8.7609E+01 mv 2 89 131 68 0 + 4 e 258 291 etot -7.9469E+01 mv 2 89 158 -24 0 + 4 e 459 258 etot -7.5853E+01 mv 2 89 32 116 0 + 4 e 286 290 etot -8.8240E+01 mv 2 89 122 155 0 + 4 e 630 226 etot -8.2874E+01 mv 2 89 125 -109 0 + 4 e 576 269 etot -8.3125E+01 mv 2 89 131 -3 0 + 4 e 258 297 etot -7.2429E+01 mv 2 89 1 -172 0 + 4 e 364 287 etot -7.5995E+01 mv 2 89 122 -86 0 + 4 e 184 303 etot -8.5824E+01 mv 1 89 52 175 0 + -1 e 1 321 etot 7.9827E+25 mv 1 89 79 116 0 + 4 e 233 295 etot -8.5969E+01 mv 2 89 158 137 0 + 4 e 406 276 etot -8.9247E+01 mv 2 89 42 20 0 + 4 e 259 294 etot -7.2515E+01 mv 2 89 158 -115 0 + 4 e 465 284 etot -8.4219E+01 mv 2 89 12 -114 0 + 4 e 132 305 etot -8.6225E+01 mv 1 89 52 133 0 c 52 9.7 0.1 + 4 e 257 302 etot -8.5824E+01 mv 1 89 52 -16 0 + 4 e 373 280 etot -8.9246E+01 mv 2 89 42 30 0 + 4 e 245 296 etot -8.7478E+01 mv 2 89 1 77 0 c 1 2.6 0.0 + 4 e 238 298 etot -8.7478E+01 mv 2 89 1 -26 0 c 1 1.6 0.0 + 4 e 754 262 etot -8.3015E+01 mv 2 89 61 83 0 + -1 e 1 332 etot 1.3528E+20 mv 1 89 7 -36 0 + 4 e 406 293 etot -7.9830E+01 mv 2 89 158 181 0 + 4 e 174 311 etot -9.0747E+01 mv 1 89 92 47 0 + 4 e 236 304 etot -8.5824E+01 mv 1 89 52 168 0 + 4 e 160 314 etot -9.0747E+01 mv 1 89 92 107 0 + -1 e 1 337 etot 1.3528E+20 mv 1 89 98 -178 0 + 4 e 489 288 etot -8.6722E+01 mv 2 89 122 168 0 + 4 e 226 316 etot -8.9853E+01 mv 1 89 6 -14 0 + 4 e 432 301 etot -8.5822E+01 mv 1 89 52 65 0 + 4 e 204 320 etot -9.0235E+01 mv 1 89 6 70 0 + 4 e 260 319 etot -8.7553E+01 mv 1 89 6 53 0 + 4 e 360 308 etot -9.0348E+01 mv 1 89 33 86 0 + -1 e 1 344 etot 1.3528E+20 mv 1 89 117 109 0 + 4 e 193 328 etot -8.8843E+01 mv 1 89 125 126 0 + 4 e 825 275 etot -9.1327E+01 mv 2 89 58 156 0 + 4 e 324 312 etot -9.0746E+01 mv 1 89 92 -16 0 + 4 e 230 313 etot -9.0746E+01 mv 1 89 92 -25 0 + 4 e 285 306 etot -9.0348E+01 mv 1 89 33 60 0 + 4 e 212 335 etot -8.7332E+01 mv 1 89 7 -21 0 + 4 e 272 322 etot -8.9030E+01 mv 1 89 79 176 0 + -1 e 1 352 etot 1.3528E+20 mv 1 89 140 -36 0 + 4 e 418 310 etot -8.9857E+01 mv 1 89 33 139 0 + 4 e 594 299 etot -8.4557E+01 mv 2 89 1 -15 0 + 4 e 277 336 etot -8.7987E+01 mv 1 89 98 -178 0 + 4 e 334 309 etot -9.1462E+01 mv 1 89 33 170 0 + 4 e 409 318 etot -8.1821E+01 mv 1 89 6 132 0 + 4 e 331 333 etot -8.8778E+01 mv 1 89 7 -84 0 + 4 e 357 326 etot -8.8827E+01 mv 1 89 125 145 0 + 4 e 232 340 etot -8.8292E+01 mv 1 89 98 109 0 + 4 e 259 331 etot -8.8779E+01 mv 1 89 7 -96 0 + 4 e 239 342 etot -8.8197E+01 mv 1 89 117 -73 0 + 4 e 369 317 etot -8.5450E+01 mv 1 89 6 -11 0 + 4 e 254 347 etot -8.7958E+01 mv 1 89 137 65 0 + 4 e 336 329 etot -8.7812E+01 mv 1 89 125 -160 0 c 155 5.0 0.0 + 4 e 233 354 etot -8.7482E+01 mv 1 89 140 155 0 + 4 e 302 348 etot -8.6164E+01 mv 1 89 137 -57 0 + 4 e 313 343 etot -8.3506E+01 mv 1 89 117 24 0 + 4 e 263 353 etot -7.1789E+01 mv 1 89 140 -149 0 + 4 e 336 346 etot -8.6901E+01 mv 1 89 137 -125 0 + 4 e 492 334 etot -8.8777E+01 mv 1 89 7 -88 0 + 4 e 381 327 etot -8.4192E+01 mv 1 89 125 112 0 + 4 e 455 315 etot -9.0745E+01 mv 1 89 92 78 0 + 4 e 400 323 etot -9.0023E+01 mv 1 89 79 49 0 + 4 e 249 356 etot -8.7759E+01 mv 1 89 32 -67 0 + 4 e 230 361 etot -8.8104E+01 mv 1 89 61 128 0 + 4 e 528 339 etot -7.6948E+01 mv 1 89 98 4 0 + 4 e 320 355 etot -7.7267E+01 mv 1 89 140 67 0 + 4 e 273 350 etot -8.7959E+01 mv 1 89 137 -17 0 + 4 e 622 338 etot -8.1180E+01 mv 1 89 98 52 0 + 4 e 310 359 etot -8.7759E+01 mv 1 89 32 -153 0 + 4 e 477 325 etot -8.9028E+01 mv 1 89 79 168 0 + 4 e 508 345 etot -8.6316E+01 mv 1 89 117 116 0 + 4 e 454 351 etot -8.7768E+01 mv 1 89 140 145 0 + 4 e 587 341 etot -8.7652E+01 mv 1 89 117 -129 0 + 4 e 226 362 etot -8.6630E+01 mv 1 89 61 -99 0 + 4 e 389 360 etot -8.3307E+01 mv 1 89 32 127 0 + 4 e 140 379 etot -7.5868E+01 mv 1 89 42 130 0 + 4 e 285 365 etot -8.8104E+01 mv 1 89 61 88 0 + 4 e 537 324 etot -8.1996E+01 mv 1 89 79 137 0 + 4 e 427 358 etot -7.9280E+01 mv 1 89 32 -99 0 + 4 e 525 330 etot -7.9599E+01 mv 1 89 125 48 0 + 4 e 267 368 etot -8.4770E+01 mv 1 89 131 64 0 + 4 e 373 349 etot -8.6002E+01 mv 1 89 137 -174 0 + 4 e 283 369 etot -7.9857E+01 mv 1 89 131 64 0 + 4 e 406 363 etot -7.2504E+01 mv 1 89 61 -117 0 + 4 e 326 367 etot -8.7611E+01 mv 1 89 131 -150 0 + 4 e 227 376 etot -8.2391E+01 mv 1 89 42 -34 0 + 4 e 249 378 etot -8.0526E+01 mv 1 89 42 -192 0 + 4 e 178 382 etot -8.7493E+01 mv 1 89 12 90 0 + 4 e 16 401 etot -8.5824E+01 mv 0 89 52 0 0 + 4 e 168 385 etot -8.7493E+01 mv 1 89 12 47 0 + 4 e 12 402 etot -9.0349E+01 mv 0 89 33 0 0 c 33 0.0 0.0 + 4 e 225 373 etot -8.7603E+01 mv 1 89 58 90 0 + 4 e 2 404 etot -9.0235E+01 mv 0 89 6 0 0 + 4 e 2 406 etot -8.8844E+01 mv 0 89 125 0 0 + 4 e 11 403 etot -9.0747E+01 mv 0 89 92 0 0 c 92 0.0 0.0 + 4 e 174 380 etot -8.9248E+01 mv 1 89 42 -90 0 + 4 e 10 408 etot -8.8293E+01 mv 0 89 98 0 0 c 98 0.0 0.0 + 4 e 2 410 etot -8.7959E+01 mv 0 89 137 0 0 + 4 e 381 372 etot -8.7603E+01 mv 1 89 58 -19 0 + 4 e 13 411 etot -8.7770E+01 mv 0 89 140 0 0 c 140 0.0 0.0 + 4 e 287 366 etot -8.7610E+01 mv 1 89 131 10 0 + 4 e 17 409 etot -8.8198E+01 mv 0 89 117 0 0 c 117 0.0 0.0 + 4 e 10 413 etot -8.8104E+01 mv 0 89 61 0 0 c 61 0.0 0.0 + 4 e 16 412 etot -8.7760E+01 mv 0 89 32 0 0 c 32 0.0 0.0 + 4 e 2 416 etot -8.9248E+01 mv 0 89 42 0 0 + 4 e 10 418 etot -8.8240E+01 mv 0 89 122 0 0 c 122 0.0 0.0 + 4 e 343 377 etot -8.9247E+01 mv 1 89 42 92 0 +## N0 total= 18 close= 12 far= 0 %acc 66.7 +## N1 total= 102 close= 2 far= 0 %acc 2.0 +## N2 total= 100 close= 3 far= 0 %acc 3.0 +## N3 total= 0 close= 0 far= 0 %acc 0.0 +## N4 total= 0 close= 0 far= 0 %acc 0.0 +## N5 total= 0 close= 0 far= 0 %acc 0.0 +## N6 total= 200 close= 9 far= 0 %acc 4.5 +## N7 total= 0 close= 0 far= 0 %acc 0.0 +## N8 total= 0 close= 0 far= 0 %acc 0.0 +## N9 total= 0 close= 0 far= 0 %acc 0.0 +##N10 total= 0 close= 0 far= 0 %acc 0.0 +##N11 total= 0 close= 0 far= 0 %acc 0.0 +##N12 total= 0 close= 0 far= 0 %acc 0.0 +##N13 total= 0 close= 0 far= 0 %acc 0.0 +##N14 total= 0 close= 0 far= 0 %acc 0.0 +##N15 total= 0 close= 0 far= 0 %acc 0.0 +##N16 total= 0 close= 0 far= 0 %acc 0.0 +##N17 total= 0 close= 0 far= 0 %acc 0.0 +##N18 total= 0 close= 0 far= 0 %acc 0.0 + Time for refresh 90 0.29 + make_var : nseed= 20 ntry= 420 + Time for make trial 91 0.09 +Nonsetup time 191.29 sec, Eval/s = 57994.54 +Time for iter 91 1.84 sec, Eval/s = 65807.19 + UPDATING 420 + 4 e 159 420 etot -8.7478E+01 mv 0 89 1 0 0 c 1 0.8 0.0 + 4 e 276 400 etot -8.7477E+01 mv 1 89 1 169 0 + 4 e 339 389 etot -7.5337E+01 mv 1 89 122 -97 0 + 4 e 336 381 etot -7.5461E+01 mv 1 89 12 -41 0 + 4 e 468 371 etot -8.6729E+01 mv 1 89 58 101 0 + 4 e 277 394 etot -7.2363E+01 mv 1 89 158 -100 0 + 4 e 85 417 etot -8.7493E+01 mv 0 89 12 0 0 + 4 e 83 419 etot -8.8746E+01 mv 0 89 158 0 0 c 158 1.5 0.0 + 4 e 656 390 etot -8.3404E+01 mv 1 89 122 146 0 + 4 e 230 399 etot -8.7478E+01 mv 1 89 1 176 0 + 4 e 323 388 etot -8.8240E+01 mv 1 89 122 113 0 + 4 e 172 398 etot -6.7762E+01 mv 1 89 1 80 0 + 4 e 69 407 etot -8.8780E+01 mv 0 89 7 0 0 c 7 0.3 0.0 + 4 e 225 397 etot -8.1343E+01 mv 1 89 1 163 0 + 4 e 240 386 etot -8.8240E+01 mv 1 89 122 174 0 + 4 e 404 396 etot -8.2658E+01 mv 1 89 1 -79 0 + -1 e 1 9 etot 1.3528E+20 mv 6 90 52 53 0 + 4 e 219 392 etot -8.8746E+01 mv 1 89 158 -121 0 + 4 e 357 384 etot -8.7492E+01 mv 1 89 12 88 0 + 4 e 513 370 etot -7.6444E+01 mv 1 89 131 -9 0 + 4 e 323 395 etot -8.8745E+01 mv 1 89 158 90 0 + 4 e 551 357 etot -8.5535E+01 mv 1 89 32 -128 0 + 4 e 54 414 etot -8.7611E+01 mv 0 89 131 0 0 c 131 0.1 0.0 + 4 e 125 393 etot -7.3486E+01 mv 1 89 158 30 0 + 4 e 344 364 etot -8.8103E+01 mv 1 89 61 -150 0 + 4 e 284 383 etot -8.7493E+01 mv 1 89 12 193 0 + 4 e 423 391 etot -8.8860E+01 mv 1 89 158 -186 0 c 158 87.0 0.1 + 4 e 60 405 etot -8.9030E+01 mv 0 89 79 0 0 c 79 0.2 0.0 + 4 e 590 375 etot -8.6429E+01 mv 1 89 58 182 0 + 4 e 87 415 etot -8.7603E+01 mv 0 89 58 0 0 c 58 0.6 0.0 + 4 e 417 374 etot -8.5549E+01 mv 1 89 58 72 0 + 4 e 308 387 etot -7.7871E+01 mv 1 89 122 -86 0 + 4 e 68 3 etot -8.5179E+01 mv 6 90 52 186 0 c 186 0.3 0.0 + 4 e 114 30 etot -8.6504E+01 mv 6 90 198 113 0 c 113 2.1 0.0 + 4 e 127 24 etot -6.9366E+01 mv 6 90 198 35 0 + 4 e 139 32 etot -8.8680E+01 mv 6 90 135 118 0 + 4 e 221 31 etot -8.8151E+01 mv 6 90 135 5 0 + 4 e 116 34 etot -8.5119E+01 mv 6 90 135 38 0 + 4 e 247 8 etot -8.1678E+01 mv 6 90 52 137 0 + 4 e 260 4 etot -8.4961E+01 mv 6 90 52 173 0 + 4 e 267 13 etot -8.5485E+01 mv 6 90 145 22 0 + 4 e 271 25 etot -8.9262E+01 mv 6 90 198 184 0 + 4 e 278 6 etot -8.5138E+01 mv 6 90 52 56 0 + 4 e 304 27 etot -9.0581E+01 mv 6 90 198 99 0 + -1 e 1 44 etot 1.3528E+20 mv 6 90 50 44 0 + 4 e 303 5 etot -8.2499E+01 mv 6 90 52 149 0 + 4 e 306 20 etot -9.0930E+01 mv 6 90 145 12 0 c 124 83.4 0.1 + 4 e 312 12 etot -8.8495E+01 mv 6 90 145 110 0 + 4 e 282 29 etot -7.6311E+01 mv 6 90 198 33 0 + 4 e 323 15 etot -8.2874E+01 mv 6 90 145 55 0 + 4 e 342 16 etot -7.3280E+01 mv 6 90 145 29 0 + 4 e 437 1 etot -8.5147E+01 mv 6 90 52 15 0 + 4 e 356 10 etot -8.9697E+01 mv 6 90 52 101 0 + 4 e 363 18 etot -8.9670E+01 mv 6 90 145 13 0 + 4 e 366 11 etot -8.0135E+01 mv 6 90 145 185 0 + 4 e 389 28 etot -6.7047E+01 mv 6 90 198 132 0 + 4 e 259 35 etot -8.6890E+01 mv 6 90 135 191 0 + 4 e 383 21 etot -8.8025E+01 mv 6 90 198 126 0 + 4 e 384 22 etot -8.1763E+01 mv 6 90 198 169 0 + 4 e 400 7 etot -8.3587E+01 mv 6 90 52 11 0 + 4 e 448 26 etot -8.9045E+01 mv 6 90 198 127 0 + 4 e 470 17 etot -6.9929E+01 mv 6 90 145 123 0 + 4 e 547 33 etot -8.4163E+01 mv 6 90 135 175 0 + 4 e 475 14 etot -9.0023E+01 mv 6 90 145 82 0 + 4 e 294 36 etot -8.5059E+01 mv 6 90 135 127 0 + 4 e 482 19 etot -8.9190E+01 mv 6 90 145 99 0 + 4 e 639 2 etot -8.3500E+01 mv 6 90 52 94 0 + 4 e 190 48 etot -8.9818E+01 mv 6 90 50 74 0 + 4 e 235 45 etot -8.9882E+01 mv 6 90 50 198 0 + 4 e 303 38 etot -9.0744E+01 mv 6 90 135 158 0 + -1 e 1 70 etot 1.3528E+20 mv 6 90 155 1 0 + -1 e 1 71 etot 1.3528E+20 mv 6 90 154 27 0 + 4 e 283 39 etot -9.0105E+01 mv 6 90 135 84 0 + -1 e 1 72 etot 1.3528E+20 mv 6 90 154 18 0 + 4 e 205 49 etot -8.8221E+01 mv 6 90 50 191 0 + 4 e 304 46 etot -7.4881E+01 mv 6 90 50 80 0 + 4 e 579 23 etot -7.0026E+01 mv 6 90 198 36 0 + 4 e 372 37 etot -8.6895E+01 mv 6 90 135 26 0 + -1 e 1 78 etot 1.3528E+20 mv 6 90 154 58 0 + 4 e 232 60 etot -8.8124E+01 mv 6 90 12 129 0 c 12 4.0 0.0 + 4 e 398 43 etot -7.3066E+01 mv 6 90 50 137 0 + 4 e 221 63 etot -8.5139E+01 mv 6 90 155 52 0 + 4 e 353 42 etot -9.0644E+01 mv 6 90 50 65 0 + 4 e 359 47 etot -8.2434E+01 mv 6 90 50 7 0 + 4 e 353 51 etot -8.0256E+01 mv 6 90 12 96 0 + 4 e 415 52 etot -8.4990E+01 mv 6 90 12 108 0 + 4 e 273 56 etot -8.7969E+01 mv 6 90 12 94 0 c 73 127.1 0.3 + 4 e 266 55 etot -8.4100E+01 mv 6 90 12 9 0 + 4 e 264 66 etot -8.5916E+01 mv 6 90 155 190 0 + 4 e 536 40 etot -8.9697E+01 mv 6 90 135 45 0 + 4 e 420 54 etot -7.9703E+01 mv 6 90 12 64 0 + 4 e 284 57 etot -8.8123E+01 mv 6 90 12 123 0 + 4 e 466 41 etot -7.8434E+01 mv 6 90 50 116 0 + 4 e 57 89 etot -8.6355E+01 mv 6 90 55 171 0 c 171 0.3 0.0 + 4 e 203 69 etot -8.5408E+01 mv 6 90 155 38 0 + 4 e 210 74 etot -8.5908E+01 mv 6 90 154 100 0 + 4 e 213 84 etot -8.7414E+01 mv 6 90 55 136 0 + 4 e 444 67 etot -8.1326E+01 mv 6 90 155 117 0 + 4 e 553 50 etot -8.9852E+01 mv 6 90 50 22 0 + 4 e 321 73 etot -8.8467E+01 mv 6 90 154 53 0 + 4 e 378 76 etot -8.3246E+01 mv 6 90 154 151 0 + 4 e 283 85 etot -8.5110E+01 mv 6 90 55 41 0 + 4 e 390 61 etot -8.6943E+01 mv 6 90 155 173 0 + 4 e 16 102 etot -8.6567E+01 mv 6 90 185 99 0 c 99 0.0 0.0 + 4 e 331 82 etot -8.5800E+01 mv 6 90 55 100 0 + 4 e 435 68 etot -7.5722E+01 mv 6 90 155 179 0 + 4 e 232 90 etot -8.5942E+01 mv 6 90 55 53 0 + 4 e 486 64 etot -7.8424E+01 mv 6 90 155 101 0 + 4 e 284 75 etot -8.2759E+01 mv 6 90 154 148 0 + -1 e 1 109 etot 1.3528E+20 mv 6 90 185 184 0 + 4 e 401 80 etot -8.0326E+01 mv 6 90 154 190 0 + 4 e 458 59 etot -7.7893E+01 mv 6 90 12 161 0 + 4 e 265 93 etot -8.1605E+01 mv 6 90 64 124 0 + 4 e 586 53 etot -8.5690E+01 mv 6 90 12 153 0 + -1 e 1 114 etot 1.3528E+20 mv 6 90 114 153 0 + 4 e 328 88 etot -8.7414E+01 mv 6 90 55 29 0 + 4 e 464 58 etot -8.4435E+01 mv 6 90 12 65 0 + 4 e 281 83 etot -8.9526E+01 mv 6 90 55 166 0 + 4 e 2 118 etot -8.7891E+01 mv 6 90 114 176 0 + 4 e 538 62 etot -8.1678E+01 mv 6 90 155 74 0 + 4 e 204 97 etot -8.7714E+01 mv 6 90 64 178 0 + 4 e 417 86 etot -8.4205E+01 mv 6 90 55 10 0 + 4 e 213 100 etot -8.5628E+01 mv 6 90 64 51 0 + 4 e 426 65 etot -8.9069E+01 mv 6 90 155 126 0 c 126 154.4 0.7 + -1 e 1 123 etot 1.3528E+20 mv 6 90 20 191 0 + 4 e 526 81 etot -8.0896E+01 mv 6 90 55 24 0 + 4 e 180 107 etot -8.6358E+01 mv 6 90 185 164 0 + 4 e 371 94 etot -8.0718E+01 mv 6 90 64 135 0 + 4 e 398 79 etot -7.6092E+01 mv 6 90 154 130 0 + 4 e 364 87 etot -8.1382E+01 mv 6 90 55 3 0 + 4 e 321 99 etot -7.8259E+01 mv 6 90 64 117 0 + 4 e 308 104 etot -8.3867E+01 mv 6 90 185 182 0 + 4 e 196 122 etot -8.7010E+01 mv 6 90 20 124 0 + 4 e 557 91 etot -8.4261E+01 mv 6 90 64 200 0 + 4 e 383 101 etot -8.1090E+01 mv 6 90 185 137 0 + 4 e 341 95 etot -8.6009E+01 mv 6 90 64 48 0 + 4 e 314 111 etot -8.5195E+01 mv 6 90 114 169 0 + -1 e 1 137 etot 1.3528E+20 mv 6 90 118 52 0 + 4 e 262 121 etot -8.4319E+01 mv 6 90 20 172 0 + 4 e 188 128 etot -7.4116E+01 mv 6 90 20 13 0 + 4 e 288 103 etot -8.0973E+01 mv 6 90 185 112 0 + 4 e 239 125 etot -7.6783E+01 mv 6 90 20 152 0 + 4 e 208 119 etot -7.8984E+01 mv 6 90 114 118 0 + 4 e 395 92 etot -8.2945E+01 mv 6 90 64 126 0 + 4 e 261 127 etot -7.9292E+01 mv 6 90 20 164 0 + 4 e 458 106 etot -7.6948E+01 mv 6 90 185 97 0 + 4 e 449 105 etot -8.5262E+01 mv 6 90 185 127 0 + 4 e 239 112 etot -8.6519E+01 mv 6 90 114 139 0 + -1 e 1 148 etot 1.3528E+20 mv 6 90 86 131 0 + 4 e 542 98 etot -8.2569E+01 mv 6 90 64 93 0 + 4 e 385 115 etot -8.4277E+01 mv 6 90 114 28 0 + 4 e 361 120 etot -8.7010E+01 mv 6 90 114 20 0 + 4 e 129 134 etot -8.3081E+01 mv 6 90 118 128 0 + 4 e 470 108 etot -7.3123E+01 mv 6 90 185 32 0 + -1 e 1 154 etot 1.3528E+20 mv 6 90 8 153 0 + 4 e 454 113 etot -8.5108E+01 mv 6 90 114 137 0 + 4 e 295 117 etot -8.4864E+01 mv 6 90 114 183 0 + 4 e 381 126 etot -8.7380E+01 mv 6 90 20 173 0 + -1 e 1 158 etot 1.3528E+20 mv 6 90 8 18 0 + 4 e 291 132 etot -8.9030E+01 mv 6 90 118 23 0 + 4 e 334 131 etot -7.7178E+01 mv 6 90 118 150 0 + 4 e 249 140 etot -8.7273E+01 mv 6 90 118 10 0 + 4 e 188 150 etot -6.5337E+01 mv 6 90 86 2 0 + 4 e 184 151 etot -8.6699E+01 mv 6 90 8 78 0 + 4 e 309 129 etot -8.8528E+01 mv 6 90 20 9 0 + 4 e 204 152 etot -8.7131E+01 mv 6 90 8 7 0 c 8 1.7 0.0 + 4 e 652 77 etot -7.7599E+01 mv 6 90 154 193 0 + 4 e 562 96 etot -8.2144E+01 mv 6 90 64 61 0 + 4 e 211 155 etot -8.7131E+01 mv 6 90 8 35 0 + 4 e 335 138 etot -7.7027E+01 mv 6 90 118 190 0 + 4 e 652 116 etot -9.2238E+01 mv 6 90 114 1 0 + 4 e 323 142 etot -8.5178E+01 mv 6 90 86 90 0 + 4 e 358 130 etot -7.9324E+01 mv 6 90 20 180 0 + 4 e 444 110 etot -8.6109E+01 mv 6 90 185 176 0 + -1 e 1 174 etot 1.3528E+20 mv 6 90 89 31 0 + 4 e 324 145 etot -8.5381E+01 mv 6 90 86 158 0 f 22 377.6 0.5 + 4 e 344 146 etot -8.8779E+01 mv 6 90 86 7 0 + 4 e 329 147 etot -8.7055E+01 mv 6 90 86 180 0 + 4 e 215 149 etot -8.7055E+01 mv 6 90 86 60 0 + 4 e 221 161 etot -8.8508E+01 mv 6 90 60 187 0 + -1 e 1 180 etot 1.3528E+20 mv 6 90 89 141 0 + 4 e 366 153 etot -7.9015E+01 mv 6 90 8 125 0 + 4 e 502 135 etot -8.8124E+01 mv 6 90 118 141 0 + 4 e 545 133 etot -8.5986E+01 mv 6 90 118 113 0 + 4 e 215 163 etot -8.6398E+01 mv 6 90 60 146 0 + 4 e 448 124 etot -8.4333E+01 mv 6 90 20 164 0 + 4 e 356 156 etot -8.5649E+01 mv 6 90 8 24 0 + 4 e 325 143 etot -7.0182E+01 mv 6 90 86 25 0 + 4 e 211 157 etot -7.2500E+01 mv 6 90 8 173 0 + 4 e 282 144 etot -8.2240E+01 mv 6 90 86 104 0 + 4 e 345 159 etot -8.5057E+01 mv 6 90 8 16 0 + -1 e 1 191 etot 1.3528E+20 mv 6 90 97 31 0 + 4 e 533 139 etot -8.3791E+01 mv 6 90 118 196 0 + 4 e 347 160 etot -8.4246E+01 mv 6 90 8 30 0 + 4 e 245 170 etot -8.7048E+01 mv 6 90 60 47 0 + 4 e 174 182 etot -8.6976E+01 mv 6 90 105 87 0 + 4 e 145 187 etot -8.6807E+01 mv 6 90 105 28 0 + 4 e 429 141 etot -9.0007E+01 mv 6 90 86 2 0 + 4 e 211 181 etot -8.5063E+01 mv 6 90 105 129 0 + 4 e 314 172 etot -8.6552E+01 mv 6 90 89 150 0 + 4 e 417 162 etot -8.9073E+01 mv 6 90 60 149 0 + 4 e 312 171 etot -8.7401E+01 mv 6 90 89 69 0 + 4 e 197 184 etot -8.6976E+01 mv 6 90 105 118 0 + 4 e 108 189 etot -8.8671E+01 mv 6 90 105 89 0 + 4 e 240 167 etot -8.5516E+01 mv 6 90 60 187 0 + 4 e 299 177 etot -8.9099E+01 mv 6 90 89 18 0 + 4 e 151 186 etot -8.6211E+01 mv 6 90 105 35 0 + 4 e 428 166 etot -8.1897E+01 mv 6 90 60 158 0 + 4 e 458 164 etot -8.3012E+01 mv 6 90 60 127 0 + 4 e 554 136 etot -8.6244E+01 mv 6 90 118 127 0 + 4 e 354 178 etot -9.0644E+01 mv 6 90 89 18 0 + 4 e 260 193 etot -8.6938E+01 mv 6 90 97 56 0 + 4 e 133 201 etot -8.6225E+01 mv 2 90 52 10 0 c 52 0.5 0.0 + 4 e 238 194 etot -8.3613E+01 mv 6 90 97 14 0 + 4 e 331 168 etot -7.8460E+01 mv 6 90 60 89 0 + 4 e 503 169 etot -7.7289E+01 mv 6 90 60 192 0 + -1 e 1 216 etot 1.3528E+20 mv 2 90 135 154 0 + 4 e 213 188 etot -8.6806E+01 mv 6 90 105 170 0 + 4 e 159 203 etot -8.6225E+01 mv 2 90 52 20 0 + 4 e 184 202 etot -7.1455E+01 mv 2 90 52 -77 0 + 4 e 351 173 etot -7.6665E+01 mv 6 90 89 115 0 + 4 e 246 196 etot -8.8389E+01 mv 6 90 97 135 0 + -1 e 1 222 etot 1.3528E+20 mv 2 90 50 -58 0 + 4 e 250 190 etot -8.6404E+01 mv 6 90 105 33 0 + 4 e 529 176 etot -8.7399E+01 mv 6 90 89 136 0 + 4 e 194 198 etot -8.5844E+01 mv 6 90 97 160 0 c 160 38.7 0.0 + 4 e 414 175 etot -8.1211E+01 mv 6 90 89 50 0 + 4 e 322 199 etot -8.8111E+01 mv 6 90 97 176 0 + 4 e 401 195 etot -8.6669E+01 mv 6 90 97 102 0 + 4 e 511 183 etot -8.0922E+01 mv 6 90 105 110 0 + 4 e 470 165 etot -8.0126E+01 mv 6 90 60 123 0 + 4 e 240 209 etot -8.9995E+01 mv 2 90 145 -92 0 + 4 e 192 205 etot -8.4141E+01 mv 2 90 52 32 0 + 4 e 546 185 etot -7.3864E+01 mv 6 90 105 56 0 + 4 e 234 211 etot -8.7793E+01 mv 2 90 198 4 0 + 4 e 303 208 etot -8.9994E+01 mv 2 90 145 147 0 + 4 e 177 220 etot -8.8680E+01 mv 2 90 135 166 0 + 4 e 386 179 etot -8.5492E+01 mv 6 90 89 66 0 + 4 e 146 218 etot -8.8680E+01 mv 2 90 135 -53 0 + 4 e 258 213 etot -9.0581E+01 mv 2 90 198 138 0 + 4 e 423 197 etot -8.4467E+01 mv 6 90 97 167 0 + 4 e 265 214 etot -9.0581E+01 mv 2 90 198 -52 0 + 4 e 545 192 etot -7.7836E+01 mv 6 90 97 140 0 + 8 e 91 229 etot -6.3999E+01 mv 2 90 12 150 0 + 4 e 210 210 etot -8.9995E+01 mv 2 90 145 186 0 c 145 1.5 0.0 + 4 e 180 221 etot -8.8221E+01 mv 2 90 50 10 0 + 4 e 164 228 etot -8.8124E+01 mv 2 90 12 115 0 c 12 1.7 0.0 + 4 e 137 236 etot -8.7479E+01 mv 2 90 154 28 0 + 4 e 339 204 etot -8.3304E+01 mv 2 90 52 -75 0 + 4 e 253 215 etot -9.0581E+01 mv 2 90 198 65 0 + 4 e 208 224 etot -7.8697E+01 mv 2 90 50 177 0 + 4 e 251 230 etot -7.5606E+01 mv 2 90 12 -61 0 + 4 e 535 206 etot -8.8215E+01 mv 2 90 145 -160 0 + 4 e 176 231 etot -8.7813E+01 mv 2 90 155 67 0 c 155 2.3 0.0 + 4 e 577 200 etot -8.3697E+01 mv 6 90 97 90 0 + 4 e 207 226 etot -8.8124E+01 mv 2 90 12 64 0 + -1 e 1 255 etot 1.3528E+20 mv 2 90 185 -162 0 + 4 e 436 217 etot -7.7252E+01 mv 2 90 135 86 0 + 4 e 212 241 etot -8.7414E+01 mv 2 90 55 -93 0 + 4 e 397 223 etot -8.8363E+01 mv 2 90 50 167 0 + 4 e 449 219 etot -8.1805E+01 mv 2 90 135 48 0 + 4 e 292 234 etot -8.7812E+01 mv 2 90 155 70 0 + 4 e 242 243 etot -8.7414E+01 mv 2 90 55 198 0 + 4 e 338 232 etot -7.7423E+01 mv 2 90 155 -24 0 + 4 e 256 233 etot -7.5886E+01 mv 2 90 155 59 0 + 4 e 231 247 etot -6.9976E+01 mv 2 90 64 -63 0 + 4 e 214 248 etot -8.4197E+01 mv 2 90 64 -44 0 + 4 e 232 238 etot -8.3470E+01 mv 2 90 154 -80 0 + 4 e 485 225 etot -8.3130E+01 mv 2 90 50 70 0 + 4 e 611 212 etot -8.4044E+01 mv 2 90 198 -33 0 + 4 e 151 250 etot -8.7303E+01 mv 2 90 64 -17 0 + 4 e 174 253 etot -8.7242E+01 mv 2 90 185 83 0 + 4 e 140 260 etot -8.7195E+01 mv 2 90 114 120 0 + 4 e 166 259 etot -7.3659E+01 mv 2 90 114 -94 0 + 4 e 364 244 etot -8.2184E+01 mv 2 90 55 150 0 + -1 e 1 275 etot 1.3528E+20 mv 2 90 86 77 0 + 4 e 370 242 etot -7.9698E+01 mv 2 90 55 -50 0 + 4 e 226 252 etot -6.8786E+01 mv 2 90 185 -139 0 + 4 e 271 239 etot -8.7704E+01 mv 2 90 154 -15 0 + 4 e 156 262 etot -8.5495E+01 mv 2 90 20 -92 0 + 4 e 212 261 etot -8.6975E+01 mv 2 90 20 52 0 + 4 e 188 256 etot -8.7195E+01 mv 2 90 114 4 0 + 4 e 524 237 etot -7.8488E+01 mv 2 90 154 -28 0 + -1 e 1 283 etot 1.3528E+20 mv 2 90 60 64 0 + 4 e 511 240 etot -7.4939E+01 mv 2 90 154 12 0 + 4 e 332 245 etot -8.7414E+01 mv 2 90 55 84 0 + 4 e 183 269 etot -8.7273E+01 mv 2 90 118 171 0 + 4 e 615 207 etot -8.9993E+01 mv 2 90 145 -42 0 + 4 e 208 267 etot -8.6975E+01 mv 2 90 118 71 0 + 4 e 241 254 etot -8.7015E+01 mv 2 90 185 -35 0 + -1 e 1 290 etot 1.3528E+20 mv 2 90 89 158 0 + 4 e 164 265 etot -8.7381E+01 mv 2 90 20 -123 0 + 4 e 271 251 etot -7.1101E+01 mv 2 90 185 28 0 + 4 e 179 278 etot -8.5693E+01 mv 2 90 8 -86 0 + 4 e 398 257 etot -7.7089E+01 mv 2 90 114 -54 0 + 4 e 338 263 etot -7.6564E+01 mv 2 90 20 56 0 + 4 e 236 274 etot -7.1785E+01 mv 2 90 86 -145 0 + 4 e 658 235 etot -8.3357E+01 mv 2 90 155 121 0 + 4 e 475 227 etot -8.1082E+01 mv 2 90 12 -196 0 + 4 e 241 277 etot -7.4832E+01 mv 2 90 8 -33 0 + 4 e 345 249 etot -8.2703E+01 mv 2 90 64 -177 0 + 4 e 286 272 etot -8.7055E+01 mv 2 90 86 105 0 + 4 e 313 270 etot -7.5308E+01 mv 2 90 118 -167 0 + 4 e 478 258 etot -8.4863E+01 mv 2 90 114 46 0 + 4 e 205 279 etot -8.0190E+01 mv 2 90 8 -200 0 + 4 e 338 280 etot -8.5759E+01 mv 2 90 8 -160 0 + 4 e 155 295 etot -8.5512E+01 mv 2 90 105 6 0 + 4 e 444 266 etot -7.7510E+01 mv 2 90 118 10 0 + 4 e 149 291 etot -8.6976E+01 mv 2 90 105 38 0 + 4 e 391 276 etot -8.7130E+01 mv 2 90 8 -15 0 + 4 e 492 264 etot -8.6327E+01 mv 2 90 20 -116 0 + 4 e 214 296 etot -8.6938E+01 mv 2 90 97 91 0 + 4 e 375 281 etot -8.2617E+01 mv 2 90 60 174 0 + 4 e 306 287 etot -8.7921E+01 mv 2 90 89 43 0 c 199 57.3 0.4 + 4 e 201 302 etot -7.2226E+01 mv 1 90 52 -152 0 + 4 e 322 289 etot -8.7920E+01 mv 2 90 89 174 0 + 4 e 540 246 etot -7.9515E+01 mv 2 90 64 38 0 + 4 e 185 304 etot -8.6225E+01 mv 1 90 52 149 0 + 4 e 371 271 etot -7.7214E+01 mv 2 90 86 170 0 + 4 e 407 284 etot -7.5620E+01 mv 2 90 60 -53 0 + 4 e 166 308 etot -8.9995E+01 mv 1 90 145 -183 0 c 145 0.5 0.0 + -1 e 1 321 etot 1.3528E+20 mv 1 90 50 -199 0 + 4 e 412 285 etot -8.3360E+01 mv 2 90 60 -79 0 + 4 e 575 273 etot -7.6221E+01 mv 2 90 86 154 0 + -1 e 1 324 etot 1.3528E+20 mv 1 90 50 -63 0 + 4 e 337 298 etot -8.6938E+01 mv 2 90 97 -49 0 + 4 e 334 282 etot -8.8596E+01 mv 2 90 60 17 0 + 4 e 238 307 etot -8.9330E+01 mv 1 90 145 -12 0 + 4 e 296 292 etot -8.1787E+01 mv 2 90 105 -116 0 + 4 e 333 288 etot -7.3263E+01 mv 2 90 89 -168 0 + 4 e 435 294 etot -8.3183E+01 mv 2 90 105 -38 0 + 4 e 275 306 etot -8.8661E+01 mv 1 90 145 45 0 + 4 e 232 310 etot -8.9995E+01 mv 1 90 145 148 0 + 4 e 210 311 etot -9.0581E+01 mv 1 90 198 4 0 + -1 e 1 334 etot 1.3528E+20 mv 1 90 155 -88 0 + 4 e 400 300 etot -8.6937E+01 mv 2 90 97 34 0 + 4 e 386 303 etot -7.3619E+01 mv 1 90 52 -111 0 + 4 e 452 297 etot -7.8306E+01 mv 2 90 97 -164 0 + 4 e 188 318 etot -8.8680E+01 mv 1 90 135 -72 0 + 4 e 504 268 etot -8.0966E+01 mv 2 90 118 146 0 + 4 e 352 293 etot -8.4438E+01 mv 2 90 105 -119 0 + 4 e 251 315 etot -9.0581E+01 mv 1 90 198 121 0 + 4 e 301 312 etot -7.6329E+01 mv 1 90 198 -168 0 + 4 e 171 325 etot -8.8221E+01 mv 1 90 50 137 0 + 4 e 274 316 etot -8.8680E+01 mv 1 90 135 10 0 + 4 e 150 328 etot -8.8124E+01 mv 1 90 12 122 0 + 4 e 247 320 etot -8.8680E+01 mv 1 90 135 190 0 + 4 e 212 326 etot -8.8124E+01 mv 1 90 12 -173 0 + 4 e 261 322 etot -8.8221E+01 mv 1 90 50 168 0 + 4 e 136 330 etot -6.5016E+01 mv 1 90 12 -29 0 + 4 e 372 313 etot -7.8403E+01 mv 1 90 198 -56 0 + 4 e 343 305 etot -8.6224E+01 mv 1 90 52 141 0 + 4 e 294 323 etot -8.6701E+01 mv 1 90 50 -173 0 + 4 e 209 333 etot -7.8241E+01 mv 1 90 155 -18 0 + 4 e 321 309 etot -8.9865E+01 mv 1 90 145 140 0 + 4 e 267 332 etot -7.3353E+01 mv 1 90 155 180 0 + 4 e 435 301 etot -8.4766E+01 mv 1 90 52 -197 0 + 4 e 459 299 etot -7.9365E+01 mv 2 90 97 -66 0 + 4 e 455 314 etot -8.4942E+01 mv 1 90 198 171 0 + -1 e 1 359 etot 1.3528E+20 mv 1 90 114 -75 0 + 4 e 142 340 etot -8.7479E+01 mv 1 90 154 -71 0 + 4 e 544 286 etot -8.2358E+01 mv 2 90 89 117 0 + 4 e 205 343 etot -8.7414E+01 mv 1 90 55 200 0 + 4 e 174 349 etot -6.8945E+01 mv 1 90 64 -142 0 + 4 e 347 336 etot -7.3149E+01 mv 1 90 154 5 0 + 4 e 233 346 etot -8.6888E+01 mv 1 90 64 -57 0 + 4 e 322 339 etot -7.9337E+01 mv 1 90 154 -145 0 + 4 e 339 319 etot -8.6084E+01 mv 1 90 135 92 0 + 4 e 358 337 etot -7.1670E+01 mv 1 90 154 -25 0 + 4 e 310 327 etot -8.0676E+01 mv 1 90 12 -49 0 + 4 e 242 341 etot -8.7136E+01 mv 1 90 55 -78 0 + 4 e 402 335 etot -8.7811E+01 mv 1 90 155 -143 0 + 4 e 243 353 etot -8.7015E+01 mv 1 90 185 36 0 + 4 e 348 344 etot -8.7414E+01 mv 1 90 55 -181 0 + 4 e 195 360 etot -8.4569E+01 mv 1 90 114 -59 0 + 4 e 431 338 etot -8.1589E+01 mv 1 90 154 166 0 + 4 e 323 348 etot -8.7303E+01 mv 1 90 64 61 0 + 4 e 351 329 etot -8.3279E+01 mv 1 90 12 95 0 + 4 e 143 366 etot -6.7725E+01 mv 1 90 118 -77 0 + 4 e 394 345 etot -8.7721E+01 mv 1 90 55 15 0 + 4 e 289 354 etot -8.4605E+01 mv 1 90 185 -160 0 + 4 e 162 358 etot -8.5849E+01 mv 1 90 114 -179 0 + 4 e 184 365 etot -8.7381E+01 mv 1 90 20 122 0 + 4 e 377 347 etot -8.0064E+01 mv 1 90 64 112 0 + 4 e 231 363 etot -8.7380E+01 mv 1 90 20 106 0 + 4 e 493 342 etot -8.8019E+01 mv 1 90 55 121 0 + 8 e 60 385 etot -8.2427E+01 mv 1 90 60 -195 0 + 4 e 286 350 etot -8.7302E+01 mv 1 90 64 125 0 + 4 e 239 357 etot -8.7195E+01 mv 1 90 114 -71 0 + 4 e 300 364 etot -7.6857E+01 mv 1 90 20 -58 0 + -1 e 1 390 etot 1.3528E+20 mv 1 90 89 -146 0 + 4 e 377 356 etot -8.6541E+01 mv 1 90 114 21 0 + 4 e 174 376 etot -8.7131E+01 mv 1 90 8 177 0 c 8 1.2 0.0 + 4 e 655 331 etot -8.7638E+01 mv 1 90 155 103 0 + 4 e 484 351 etot -7.9550E+01 mv 1 90 185 156 0 + 4 e 155 381 etot -8.7048E+01 mv 1 90 60 -2 0 + 4 e 211 375 etot -8.7056E+01 mv 1 90 86 95 0 c 86 1.2 0.0 + 4 e 190 370 etot -8.7274E+01 mv 1 90 118 -113 0 + -1 e 1 398 etot 1.3528E+20 mv 1 90 97 130 0 + 4 e 596 317 etot -6.5536E+01 mv 1 90 135 -176 0 + 4 e 304 361 etot -8.7380E+01 mv 1 90 20 -78 0 + 4 e 213 384 etot -8.7048E+01 mv 1 90 60 -104 0 + 4 e 235 383 etot -8.7509E+01 mv 1 90 60 20 0 + 4 e 338 372 etot -8.6729E+01 mv 1 90 86 130 0 + 4 e 273 379 etot -8.7130E+01 mv 1 90 8 162 0 + 4 e 13 404 etot -8.8680E+01 mv 0 90 135 0 0 c 135 0.0 0.0 + 4 e 12 405 etot -8.8222E+01 mv 0 90 50 0 0 c 50 0.0 0.0 + 4 e 317 377 etot -7.9550E+01 mv 1 90 8 26 0 + 4 e 54 401 etot -8.6225E+01 mv 0 90 52 0 0 c 52 0.4 0.0 + 4 e 163 391 etot -8.6976E+01 mv 1 90 105 11 0 + 4 e 419 352 etot -8.3876E+01 mv 1 90 185 176 0 + 4 e 420 367 etot -8.7272E+01 mv 1 90 118 -92 0 + 4 e 14 410 etot -8.7303E+01 mv 0 90 64 0 0 c 64 0.0 0.0 + 4 e 10 411 etot -8.7242E+01 mv 0 90 185 0 0 c 185 0.0 0.0 + 4 e 277 371 etot -8.7055E+01 mv 1 90 86 -19 0 + 4 e 389 373 etot -7.4808E+01 mv 1 90 86 142 0 + 4 e 11 413 etot -8.7381E+01 mv 0 90 20 0 0 c 20 0.0 0.0 + 4 e 19 412 etot -8.7196E+01 mv 0 90 114 0 0 c 114 0.0 0.0 + 4 e 171 393 etot -8.6976E+01 mv 1 90 105 -135 0 + 4 e 2 419 etot -8.6976E+01 mv 0 90 105 0 0 +## N0 total= 15 close= 13 far= 0 %acc 86.7 +## N1 total= 105 close= 4 far= 0 %acc 3.8 +## N2 total= 100 close= 5 far= 0 %acc 5.0 +## N3 total= 0 close= 0 far= 0 %acc 0.0 +## N4 total= 0 close= 0 far= 0 %acc 0.0 +## N5 total= 0 close= 0 far= 0 %acc 0.0 +## N6 total= 200 close= 10 far= 1 %acc 5.5 +## N7 total= 0 close= 0 far= 0 %acc 0.0 +## N8 total= 0 close= 0 far= 0 %acc 0.0 +## N9 total= 0 close= 0 far= 0 %acc 0.0 +##N10 total= 0 close= 0 far= 0 %acc 0.0 +##N11 total= 0 close= 0 far= 0 %acc 0.0 +##N12 total= 0 close= 0 far= 0 %acc 0.0 +##N13 total= 0 close= 0 far= 0 %acc 0.0 +##N14 total= 0 close= 0 far= 0 %acc 0.0 +##N15 total= 0 close= 0 far= 0 %acc 0.0 +##N16 total= 0 close= 0 far= 0 %acc 0.0 +##N17 total= 0 close= 0 far= 0 %acc 0.0 +##N18 total= 0 close= 0 far= 0 %acc 0.0 + Time for refresh 91 0.29 + make_var : nseed= 20 ntry= 420 + Time for make trial 92 0.11 +Nonsetup time 193.14 sec, Eval/s = 58044.04 +Time for iter 92 1.85 sec, Eval/s = 63158.01 + UPDATING 420 + 4 e 198 395 etot -8.6499E+01 mv 1 90 105 -48 0 + 4 e 410 392 etot -7.5973E+01 mv 1 90 105 -64 0 + 4 e 49 408 etot -8.7479E+01 mv 0 90 154 0 0 c 154 0.2 0.0 + 4 e 350 397 etot -8.6096E+01 mv 1 90 97 -104 0 + 4 e 167 394 etot -8.6976E+01 mv 1 90 105 -75 0 + 4 e 395 387 etot -8.7326E+01 mv 1 90 89 -2 0 + 4 e 387 396 etot -8.6938E+01 mv 1 90 97 94 0 + 4 e 153 407 etot -8.7813E+01 mv 0 90 155 0 0 c 155 0.9 0.0 + 4 e 440 380 etot -8.7129E+01 mv 1 90 8 -62 0 + 4 e 122 406 etot -8.8124E+01 mv 0 90 12 0 0 c 12 0.9 0.0 + 4 e 123 402 etot -8.9995E+01 mv 0 90 145 0 0 c 145 0.7 0.0 + 4 e 307 386 etot -8.6472E+01 mv 1 90 89 99 0 + 4 e 15 420 etot -8.6939E+01 mv 0 90 97 0 0 c 97 0.0 0.0 + 4 e 27 418 etot -8.7402E+01 mv 0 90 89 0 0 c 89 0.1 0.0 + 4 e 84 417 etot -8.7049E+01 mv 0 90 60 0 0 c 60 0.4 0.0 + 4 e 80 403 etot -9.0582E+01 mv 0 90 198 0 0 c 198 0.4 0.0 + 4 e 411 374 etot -9.0006E+01 mv 1 90 86 107 0 + 4 e 88 416 etot -8.7131E+01 mv 0 90 8 0 0 c 8 0.6 0.0 + 4 e 438 369 etot -7.4275E+01 mv 1 90 118 116 0 + 4 e 355 389 etot -8.1706E+01 mv 1 90 89 -87 0 + 4 e 55 409 etot -8.7414E+01 mv 0 90 55 0 0 c 55 0.3 0.0 + 4 e 257 378 etot -7.8537E+01 mv 1 90 8 -36 0 + 4 e 69 415 etot -8.7056E+01 mv 0 90 86 0 0 c 86 1.0 0.0 + 4 e 57 414 etot -8.7274E+01 mv 0 90 118 0 0 c 118 0.2 0.0 + 4 e 571 399 etot -8.5557E+01 mv 1 90 97 33 0 + 4 e 428 362 etot -8.0193E+01 mv 1 90 20 -42 0 + 4 e 195 400 etot -8.6938E+01 mv 1 90 97 -71 0 + -1 e 1 22 etot 1.3528E+20 mv 6 91 200 136 0 + 4 e 382 382 etot -8.2660E+01 mv 1 90 60 -133 0 + 4 e 298 368 etot -8.6743E+01 mv 1 90 118 130 0 + 4 e 649 355 etot -8.0274E+01 mv 1 90 185 -170 0 + 4 e 396 388 etot -8.6551E+01 mv 1 90 89 157 0 + 4 e 94 5 etot -8.6225E+01 mv 6 91 49 52 0 + 4 e 142 18 etot -7.9277E+01 mv 6 91 54 144 0 + 4 e 172 29 etot -8.9100E+01 mv 6 91 200 18 0 + 4 e 186 13 etot -8.4006E+01 mv 6 91 54 111 0 + -1 e 1 36 etot 1.3528E+20 mv 6 91 150 73 0 + 4 e 10 37 etot -8.7770E+01 mv 6 91 150 140 0 c 140 0.0 0.0 + 4 e 191 7 etot -8.6144E+01 mv 6 91 49 137 0 + 4 e 216 15 etot -8.9262E+01 mv 6 91 54 63 0 + 4 e 215 8 etot -8.2448E+01 mv 6 91 49 148 0 + 4 e 240 14 etot -8.9262E+01 mv 6 91 54 14 0 + -1 e 1 42 etot 1.3528E+20 mv 6 91 45 92 0 + 4 e 231 10 etot -8.2180E+01 mv 6 91 49 94 0 + 4 e 262 25 etot -9.1404E+01 mv 6 91 200 92 0 c 200 3.4 0.0 + 4 e 260 26 etot -8.7645E+01 mv 6 91 200 65 0 + 4 e 265 30 etot -8.3589E+01 mv 6 91 200 194 0 + 4 e 271 1 etot -8.0441E+01 mv 6 91 49 200 0 + 4 e 283 9 etot -8.6073E+01 mv 6 91 49 93 0 + 4 e 308 24 etot -9.1338E+01 mv 6 91 200 14 0 + 4 e 311 27 etot -8.5575E+01 mv 6 91 200 71 0 + -1 e 1 51 etot 1.3528E+20 mv 6 91 69 29 0 + 4 e 323 32 etot -8.8171E+01 mv 6 91 150 43 0 + 4 e 328 12 etot -7.2272E+01 mv 6 91 54 147 0 + 4 e 325 6 etot -8.4827E+01 mv 6 91 49 136 0 + 4 e 341 19 etot -9.0275E+01 mv 6 91 54 150 0 + 4 e 254 33 etot -7.9537E+01 mv 6 91 150 188 0 + 4 e 366 11 etot -8.7755E+01 mv 6 91 54 8 0 + 4 e 155 40 etot -8.5366E+01 mv 6 91 150 96 0 + 4 e 264 28 etot -8.8888E+01 mv 6 91 200 148 0 + 4 e 357 20 etot -8.2653E+01 mv 6 91 54 95 0 + 4 e 295 34 etot -8.1407E+01 mv 6 91 150 196 0 + 4 e 471 16 etot -9.0283E+01 mv 6 91 54 77 0 + 4 e 235 41 etot -8.7827E+01 mv 6 91 45 90 0 + 4 e 534 3 etot -8.4193E+01 mv 6 91 49 72 0 + 4 e 542 2 etot -9.0621E+01 mv 6 91 49 1 0 + -1 e 1 66 etot 1.0246E+21 mv 6 91 133 96 0 + 4 e 276 39 etot -8.5491E+01 mv 6 91 150 168 0 + 4 e 544 17 etot -8.8114E+01 mv 6 91 54 24 0 + 4 e 327 35 etot -7.8854E+01 mv 6 91 150 195 0 + 4 e 453 23 etot -8.3745E+01 mv 6 91 200 162 0 + 4 e 297 43 etot -8.7161E+01 mv 6 91 45 112 0 + 4 e 266 56 etot -8.6246E+01 mv 6 91 69 90 0 + -1 e 1 73 etot 1.3528E+20 mv 6 91 199 115 0 + 4 e 189 57 etot -7.9495E+01 mv 6 91 69 10 0 + -1 e 1 75 etot 1.3528E+20 mv 6 91 199 96 0 + 4 e 297 46 etot -7.9126E+01 mv 6 91 45 40 0 + 4 e 143 65 etot -7.5251E+01 mv 6 91 133 52 0 + -1 e 1 77 etot 1.3528E+20 mv 6 91 199 157 0 + 4 e 298 45 etot -8.2801E+01 mv 6 91 45 67 0 + -1 e 1 80 etot 1.3528E+20 mv 6 91 199 188 0 + 4 e 162 61 etot -7.5472E+01 mv 6 91 133 12 0 + 4 e 234 59 etot -8.8104E+01 mv 6 91 69 65 0 + 4 e 554 4 etot -8.0076E+01 mv 6 91 49 70 0 + 4 e 279 52 etot -8.5282E+01 mv 6 91 69 48 0 + 4 e 421 38 etot -8.5599E+01 mv 6 91 150 78 0 + 4 e 346 44 etot -8.6214E+01 mv 6 91 45 84 0 + 4 e 224 63 etot -8.7751E+01 mv 6 91 133 71 0 + 4 e 581 31 etot -9.1230E+01 mv 6 91 150 11 0 + 4 e 298 53 etot -7.9107E+01 mv 6 91 69 64 0 + -1 e 1 90 etot 1.3528E+20 mv 6 91 100 194 0 + 4 e 377 49 etot -7.8683E+01 mv 6 91 45 40 0 + 4 e 253 67 etot -7.5347E+01 mv 6 91 133 181 0 + 4 e 322 58 etot -8.7722E+01 mv 6 91 69 14 0 + -1 e 1 94 etot 8.4803E+21 mv 6 91 134 20 0 + 4 e 111 88 etot -7.6246E+01 mv 6 91 100 84 0 + 4 e 284 64 etot -8.5480E+01 mv 6 91 133 43 0 + 4 e 386 50 etot -8.7944E+01 mv 6 91 45 171 0 + 4 e 450 54 etot -8.3595E+01 mv 6 91 69 117 0 + 4 e 209 68 etot -7.1773E+01 mv 6 91 133 64 0 + 4 e 408 47 etot -8.1844E+01 mv 6 91 45 35 0 + 4 e 619 48 etot -8.7715E+01 mv 6 91 45 123 0 c 127 59.3 0.1 + 4 e 438 62 etot -8.6936E+01 mv 6 91 133 82 0 + 4 e 278 74 etot -8.7921E+01 mv 6 91 199 166 0 c 199 2.6 0.0 + 4 e 302 78 etot -8.4201E+01 mv 6 91 199 46 0 + 4 e 435 69 etot -8.0906E+01 mv 6 91 133 180 0 + 4 e 339 86 etot -8.1759E+01 mv 6 91 100 156 0 + 4 e 203 89 etot -8.5222E+01 mv 6 91 100 78 0 + 4 e 329 87 etot -8.9261E+01 mv 6 91 100 4 0 + 4 e 481 21 etot -8.4208E+01 mv 6 91 200 61 0 + 4 e 462 72 etot -8.5267E+01 mv 6 91 199 155 0 + 4 e 343 70 etot -9.0899E+01 mv 6 91 133 68 0 + 4 e 309 93 etot -8.6451E+01 mv 6 91 134 32 0 + 4 e 548 55 etot -8.4207E+01 mv 6 91 69 90 0 + 4 e 253 91 etot -7.5102E+01 mv 6 91 134 23 0 + 4 e 338 71 etot -8.6970E+01 mv 6 91 199 36 0 + 4 e 244 100 etot -8.8516E+01 mv 6 91 134 7 0 + -1 e 1 116 etot 1.3528E+20 mv 6 91 146 112 0 + -1 e 1 117 etot 1.3528E+20 mv 6 91 146 78 0 + 4 e 396 92 etot -7.6064E+01 mv 6 91 134 6 0 + 4 e 417 84 etot -9.0234E+01 mv 6 91 100 50 0 + 4 e 291 104 etot -7.4508E+01 mv 6 91 48 7 0 + 4 e 526 83 etot -8.7776E+01 mv 6 91 100 195 0 c 53 115.2 1.3 + 4 e 392 79 etot -8.4342E+01 mv 6 91 199 46 0 + 4 e 224 101 etot -8.6722E+01 mv 6 91 48 38 0 + 4 e 376 99 etot -8.1741E+01 mv 6 91 134 192 0 + 4 e 404 97 etot -8.0964E+01 mv 6 91 134 81 0 + 4 e 373 85 etot -8.5098E+01 mv 6 91 100 39 0 + 4 e 408 81 etot -8.5273E+01 mv 6 91 100 14 0 + 4 e 517 76 etot -8.7918E+01 mv 6 91 199 22 0 + 4 e 294 98 etot -8.6797E+01 mv 6 91 134 58 0 + 4 e 277 106 etot -8.6416E+01 mv 6 91 48 10 0 + 4 e 208 113 etot -7.3904E+01 mv 6 91 146 82 0 + -1 e 1 133 etot 1.3528E+20 mv 6 91 11 8 0 + 4 e 466 96 etot -7.7619E+01 mv 6 91 134 84 0 + 4 e 450 102 etot -8.0415E+01 mv 6 91 48 190 0 + 4 e 255 109 etot -8.7443E+01 mv 6 91 48 151 0 c 8 62.2 0.3 + 4 e 434 103 etot -8.0009E+01 mv 6 91 48 66 0 + 4 e 295 107 etot -7.4139E+01 mv 6 91 48 154 0 + 4 e 202 120 etot -8.6160E+01 mv 6 91 146 17 0 + 4 e 272 111 etot -8.5931E+01 mv 6 91 146 179 0 + 4 e 240 119 etot -8.6925E+01 mv 6 91 146 92 0 + -1 e 1 142 etot 1.3528E+20 mv 6 91 115 185 0 + -1 e 1 143 etot 1.3528E+20 mv 6 91 115 47 0 + 4 e 332 60 etot -7.8710E+01 mv 6 91 69 7 0 + 4 e 602 95 etot -8.2331E+01 mv 6 91 134 113 0 + 4 e 200 123 etot -8.7637E+01 mv 6 91 128 39 0 c 128 109.3 0.8 + 4 e 201 115 etot -8.6359E+01 mv 6 91 146 185 0 + 4 e 246 112 etot -7.6894E+01 mv 6 91 146 56 0 + 4 e 471 105 etot -8.1774E+01 mv 6 91 48 140 0 + 4 e 243 122 etot -6.6901E+01 mv 6 91 128 187 0 + 4 e 184 130 etot -8.8838E+01 mv 6 91 128 99 0 + 4 e 250 126 etot -8.8837E+01 mv 6 91 128 185 0 + 4 e 524 82 etot -8.4070E+01 mv 6 91 100 5 0 + 4 e 346 121 etot -8.0394E+01 mv 6 91 128 52 0 + 4 e 454 114 etot -6.9811E+01 mv 6 91 146 43 0 + 4 e 177 131 etot -8.9247E+01 mv 6 91 11 42 0 + 4 e 228 124 etot -8.6808E+01 mv 6 91 128 76 0 + 4 e 239 140 etot -6.3877E+01 mv 6 91 11 7 0 + 4 e 291 134 etot -8.0921E+01 mv 6 91 11 57 0 + -1 e 1 159 etot 1.3528E+20 mv 6 91 172 83 0 + -1 e 1 160 etot 1.3528E+20 mv 6 91 172 169 0 + 4 e 263 138 etot -8.6883E+01 mv 6 91 11 8 0 + 4 e 304 136 etot -8.6883E+01 mv 6 91 11 197 0 c 11 1.7 0.0 + 4 e 355 132 etot -9.0484E+01 mv 6 91 11 94 0 + -1 e 1 165 etot 1.3528E+20 mv 6 91 103 74 0 + 4 e 300 141 etot -8.9617E+01 mv 6 91 115 38 0 + 4 e 255 146 etot -8.7530E+01 mv 6 91 115 138 0 + 4 e 222 152 etot -7.0808E+01 mv 6 91 172 187 0 + -1 e 1 169 etot 1.3528E+20 mv 6 91 103 153 0 + 4 e 215 151 etot -8.6353E+01 mv 6 91 172 55 0 + 8 e 96 162 etot -6.3989E+01 mv 6 91 103 129 0 + 4 e 288 129 etot -8.6807E+01 mv 6 91 128 49 0 + 4 e 298 128 etot -8.6312E+01 mv 6 91 128 54 0 + 4 e 321 144 etot -8.7680E+01 mv 6 91 115 180 0 + 4 e 274 150 etot -8.3851E+01 mv 6 91 115 136 0 + 4 e 172 156 etot -7.0739E+01 mv 6 91 172 134 0 + 4 e 287 125 etot -8.4751E+01 mv 6 91 128 169 0 + -1 e 1 177 etot 1.3528E+20 mv 6 91 108 131 0 + 4 e 490 127 etot -8.6048E+01 mv 6 91 128 105 0 + 4 e 429 137 etot -8.8543E+01 mv 6 91 11 196 0 + 4 e 240 149 etot -8.2109E+01 mv 6 91 115 25 0 + 4 e 460 108 etot -8.2233E+01 mv 6 91 48 185 0 + 4 e 227 161 etot -7.3116E+01 mv 6 91 103 54 0 + 4 e 521 135 etot -9.0078E+01 mv 6 91 11 33 0 + 4 e 156 171 etot -9.0900E+01 mv 6 91 108 68 0 + 4 e 246 163 etot -8.5297E+01 mv 6 91 103 126 0 + 4 e 530 139 etot -7.6076E+01 mv 6 91 11 116 0 + 4 e 156 179 etot -7.8118E+01 mv 6 91 108 193 0 + 4 e 346 155 etot -8.4688E+01 mv 6 91 172 14 0 + 4 e 242 154 etot -8.5982E+01 mv 6 91 172 72 0 + 4 e 489 118 etot -8.1954E+01 mv 6 91 146 170 0 + 4 e 283 164 etot -8.7081E+01 mv 6 91 103 25 0 + 4 e 245 168 etot -8.8203E+01 mv 6 91 103 36 0 + 4 e 522 147 etot -8.5629E+01 mv 6 91 115 6 0 + 4 e 246 145 etot -7.8930E+01 mv 6 91 115 104 0 + 4 e 222 176 etot -8.6742E+01 mv 6 91 108 187 0 c 108 2.8 0.0 + 4 e 277 157 etot -8.4319E+01 mv 6 91 172 91 0 + 4 e 260 158 etot -8.5557E+01 mv 6 91 172 97 0 + 4 e 314 166 etot -8.8504E+01 mv 6 91 103 27 0 + 4 e 321 167 etot -8.7933E+01 mv 6 91 103 46 0 + 4 e 324 170 etot -8.8302E+01 mv 6 91 103 36 0 + 4 e 527 153 etot -8.2186E+01 mv 6 91 172 99 0 + 4 e 240 173 etot -8.6742E+01 mv 6 91 108 88 0 + 4 e 337 175 etot -8.1383E+01 mv 6 91 108 178 0 + 4 e 183 188 etot -7.4463E+01 mv 6 91 67 22 0 + 4 e 387 172 etot -7.7678E+01 mv 6 91 108 61 0 + -1 e 1 207 etot 1.3528E+20 mv 2 91 54 -75 0 + 4 e 464 110 etot -8.2187E+01 mv 6 91 48 92 0 + 4 e 265 185 etot -8.6294E+01 mv 6 91 67 114 0 + 4 e 339 180 etot -8.0975E+01 mv 6 91 108 87 0 + 4 e 154 191 etot -7.1093E+01 mv 6 91 5 112 0 + 4 e 298 174 etot -8.6966E+01 mv 6 91 108 200 0 + 4 e 361 181 etot -7.7140E+01 mv 6 91 67 65 0 + -1 e 1 214 etot 1.3528E+20 mv 2 91 200 -179 0 + 4 e 124 203 etot -8.6144E+01 mv 2 91 49 -200 0 + -1 e 1 216 etot 1.4338E+24 mv 2 91 150 -152 0 + 4 e 214 183 etot -8.5938E+01 mv 6 91 67 150 0 + 4 e 225 195 etot -8.2799E+01 mv 6 91 5 140 0 + 4 e 285 190 etot -7.5806E+01 mv 6 91 67 50 0 + 4 e 358 186 etot -7.0040E+01 mv 6 91 67 48 0 + 4 e 297 178 etot -8.6740E+01 mv 6 91 108 47 0 + 4 e 298 193 etot -8.5214E+01 mv 6 91 5 200 0 + 4 e 153 210 etot -8.9262E+01 mv 2 91 54 1 0 + 4 e 294 200 etot -7.7075E+01 mv 6 91 5 176 0 + -1 e 1 225 etot 1.3528E+20 mv 2 91 45 77 0 + 4 e 584 148 etot -8.3898E+01 mv 6 91 115 195 0 + 4 e 226 205 etot -8.4302E+01 mv 2 91 49 179 0 + 4 e 390 189 etot -8.0346E+01 mv 6 91 67 148 0 + 4 e 476 184 etot -8.3821E+01 mv 6 91 67 153 0 + 4 e 299 201 etot -8.3287E+01 mv 2 91 49 146 0 + 4 e 255 196 etot -8.2734E+01 mv 6 91 5 19 0 + 4 e 138 220 etot -8.8215E+01 mv 2 91 150 -89 0 + 4 e 253 211 etot -9.0092E+01 mv 2 91 200 35 0 + -1 e 1 234 etot 1.3528E+20 mv 2 91 133 -183 0 + -1 e 1 235 etot 1.3528E+20 mv 2 91 133 -71 0 + 4 e 537 187 etot -8.0504E+01 mv 6 91 67 109 0 + 4 e 440 197 etot -7.9058E+01 mv 6 91 5 118 0 + 4 e 302 198 etot -8.8021E+01 mv 6 91 5 157 0 + 4 e 299 199 etot -8.6617E+01 mv 6 91 5 91 0 + 4 e 170 218 etot -8.8215E+01 mv 2 91 150 22 0 + 4 e 187 213 etot -9.1405E+01 mv 2 91 200 33 0 c 200 1.7 0.0 + 4 e 491 194 etot -8.0063E+01 mv 6 91 5 140 0 + 4 e 348 192 etot -8.5068E+01 mv 6 91 5 146 0 + 4 e 274 219 etot -8.2463E+01 mv 2 91 150 96 0 + 4 e 416 206 etot -7.5622E+01 mv 2 91 54 -4 0 + 4 e 257 209 etot -6.4148E+01 mv 2 91 54 -120 0 + 4 e 477 202 etot -7.0709E+01 mv 2 91 49 -104 0 + 4 e 262 223 etot -8.7827E+01 mv 2 91 45 72 0 + 4 e 126 238 etot -8.7921E+01 mv 2 91 199 -4 0 c 199 1.8 0.0 + 4 e 373 217 etot -7.9911E+01 mv 2 91 150 67 0 + 4 e 254 228 etot -8.4000E+01 mv 2 91 69 -108 0 + 4 e 494 208 etot -7.6622E+01 mv 2 91 54 28 0 + 4 e 317 226 etot -7.2243E+01 mv 2 91 69 169 0 + 4 e 219 227 etot -8.7723E+01 mv 2 91 69 162 0 + 4 e 280 233 etot -8.7083E+01 mv 2 91 133 120 0 + 4 e 342 230 etot -7.2064E+01 mv 2 91 69 31 0 + 4 e 382 231 etot -7.7421E+01 mv 2 91 133 -198 0 + 4 e 192 239 etot -6.5488E+01 mv 2 91 199 -62 0 + 4 e 526 215 etot -8.4920E+01 mv 2 91 200 59 0 + 4 e 183 240 etot -8.7921E+01 mv 2 91 199 29 0 + 4 e 453 224 etot -8.7232E+01 mv 2 91 45 91 0 + 4 e 372 236 etot -8.7499E+01 mv 2 91 199 43 0 + 4 e 197 251 etot -8.6829E+01 mv 2 91 48 117 0 + 4 e 279 246 etot -8.6959E+01 mv 2 91 134 -8 0 + 4 e 484 204 etot -8.0385E+01 mv 2 91 49 -81 0 + 4 e 274 248 etot -6.7897E+01 mv 2 91 134 140 0 + -1 e 1 266 etot 1.3528E+20 mv 2 91 11 101 0 + 4 e 236 244 etot -7.3337E+01 mv 2 91 100 -119 0 + 4 e 479 229 etot -8.4206E+01 mv 2 91 69 187 0 + 4 e 248 242 etot -7.6232E+01 mv 2 91 100 40 0 + 4 e 306 249 etot -6.8816E+01 mv 2 91 134 -188 0 + 4 e 680 182 etot -8.4389E+01 mv 6 91 67 74 0 + 4 e 237 253 etot -8.6828E+01 mv 2 91 48 176 0 + -1 e 1 274 etot 2.3644E+31 mv 2 91 115 19 0 + 4 e 612 221 etot -8.1496E+01 mv 2 91 45 -148 0 + 4 e 451 237 etot -7.2234E+01 mv 2 91 199 34 0 + 4 e 275 241 etot -8.6961E+01 mv 2 91 100 18 0 + 4 e 273 254 etot -8.6828E+01 mv 2 91 48 124 0 + 4 e 255 257 etot -8.5931E+01 mv 2 91 146 9 0 + 4 e 383 252 etot -7.7644E+01 mv 2 91 48 -125 0 + 4 e 511 243 etot -8.5380E+01 mv 2 91 100 -164 0 + 4 e 515 245 etot -8.4218E+01 mv 2 91 100 36 0 + 4 e 185 259 etot -8.6925E+01 mv 2 91 146 164 0 + 4 e 272 260 etot -8.6925E+01 mv 2 91 146 -150 0 + 4 e 300 258 etot -8.6925E+01 mv 2 91 146 -67 0 + 4 e 125 271 etot -8.9617E+01 mv 2 91 115 91 0 + 4 e 523 222 etot -7.9450E+01 mv 2 91 45 -169 0 + 4 e 249 267 etot -6.3509E+01 mv 2 91 11 -120 0 + -1 e 1 289 etot 2.0323E+34 mv 2 91 108 -69 0 + 4 e 236 270 etot -7.2609E+01 mv 2 91 11 -145 0 + 4 e 479 232 etot -7.9406E+01 mv 2 91 133 -180 0 + 4 e 225 261 etot -8.5099E+01 mv 2 91 128 -22 0 + 4 e 149 280 etot -8.7008E+01 mv 2 91 172 47 0 + 4 e 304 255 etot -8.6828E+01 mv 2 91 48 -184 0 + -1 e 1 295 etot 1.3528E+20 mv 2 91 67 -136 0 + 4 e 259 272 etot -7.4055E+01 mv 2 91 115 -77 0 + 4 e 166 278 etot -8.7008E+01 mv 2 91 172 60 0 + 4 e 365 262 etot -7.7472E+01 mv 2 91 128 -53 0 + 4 e 296 275 etot -8.9602E+01 mv 2 91 115 151 0 + 4 e 241 268 etot -8.6883E+01 mv 2 91 11 -146 0 c 11 2.0 0.0 + -1 e 1 300 etot 1.3528E+20 mv 2 91 5 -1 0 + 4 e 212 273 etot -8.9617E+01 mv 2 91 115 -29 0 + 4 e 284 277 etot -7.8777E+01 mv 2 91 172 -106 0 + 4 e 164 283 etot -7.7581E+01 mv 2 91 103 -84 0 + 4 e 607 250 etot -7.2593E+01 mv 2 91 134 -55 0 + 4 e 519 256 etot -7.9554E+01 mv 2 91 146 172 0 + 4 e 302 276 etot -7.9768E+01 mv 2 91 172 -120 0 + 4 e 701 212 etot -8.7549E+01 mv 2 91 200 -20 0 + 4 e 140 291 etot -8.6731E+01 mv 2 91 67 -138 0 + 4 e 198 282 etot -8.6774E+01 mv 2 91 103 138 0 + 4 e 183 286 etot -8.7022E+01 mv 2 91 108 140 0 c 108 33.2 0.3 + -1 e 1 312 etot 1.3528E+20 mv 1 91 200 -39 0 + 4 e 426 264 etot -8.0394E+01 mv 2 91 128 -137 0 + 4 e 449 263 etot -6.7119E+01 mv 2 91 128 -80 0 + 4 e 233 290 etot -8.4092E+01 mv 2 91 108 -137 0 + 4 e 121 296 etot -8.6680E+01 mv 2 91 5 -182 0 c 5 0.5 0.0 + 4 e 126 305 etot -8.6144E+01 mv 1 91 49 -27 0 + 4 e 519 265 etot -8.3000E+01 mv 2 91 128 -6 0 + 4 e 221 297 etot -8.5201E+01 mv 2 91 5 72 0 + 4 e 342 281 etot -8.0060E+01 mv 2 91 103 -23 0 + -1 e 1 321 etot 1.3528E+20 mv 1 91 45 141 0 + 4 e 240 294 etot -8.6730E+01 mv 2 91 67 156 0 + 4 e 229 287 etot -8.3468E+01 mv 2 91 108 -5 0 + 4 e 150 303 etot -8.6144E+01 mv 1 91 49 79 0 + -1 e 1 325 etot 1.3528E+20 mv 1 91 45 -160 0 + 4 e 227 304 etot -8.5849E+01 mv 1 91 49 3 0 + 4 e 224 307 etot -8.9262E+01 mv 1 91 54 -87 0 + 4 e 194 310 etot -8.9262E+01 mv 1 91 54 182 0 + 4 e 396 285 etot -7.9734E+01 mv 2 91 103 -27 0 + 4 e 625 247 etot -8.2476E+01 mv 2 91 134 -47 0 + 4 e 218 313 etot -9.1405E+01 mv 1 91 200 42 0 + 4 e 283 284 etot -7.7300E+01 mv 2 91 103 -85 0 + 4 e 232 311 etot -9.1405E+01 mv 1 91 200 158 0 + -1 e 1 334 etot 1.3528E+20 mv 1 91 133 184 0 + 4 e 276 306 etot -8.9261E+01 mv 1 91 54 67 0 + 4 e 529 279 etot -8.5546E+01 mv 2 91 172 -40 0 + 4 e 441 269 etot -8.4777E+01 mv 2 91 11 120 0 + 4 e 329 299 etot -6.8047E+01 mv 2 91 5 181 0 + 4 e 178 316 etot -8.8215E+01 mv 1 91 150 -167 0 + 4 e 147 323 etot -8.7827E+01 mv 1 91 45 -186 0 + 4 e 246 315 etot -9.1405E+01 mv 1 91 200 104 0 c 200 0.7 0.0 + 4 e 377 302 etot -7.4082E+01 mv 1 91 49 5 0 + 4 e 212 320 etot -8.8215E+01 mv 1 91 150 23 0 + 4 e 330 292 etot -8.1814E+01 mv 2 91 67 192 0 + 4 e 310 298 etot -8.7901E+01 mv 2 91 5 15 0 + 4 e 356 293 etot -8.1074E+01 mv 2 91 67 163 0 + 4 e 198 332 etot -8.7083E+01 mv 1 91 133 -134 0 + 4 e 214 336 etot -8.7921E+01 mv 1 91 199 169 0 + 4 e 353 319 etot -8.0767E+01 mv 1 91 150 2 0 + 4 e 497 308 etot -8.9259E+01 mv 1 91 54 -133 0 + 4 e 460 288 etot -7.7204E+01 mv 2 91 108 -48 0 + 4 e 186 343 etot -8.6661E+01 mv 1 91 100 -130 0 + 4 e 483 314 etot -9.0106E+01 mv 1 91 200 63 0 + 4 e 315 327 etot -8.7722E+01 mv 1 91 69 -85 0 + 4 e 413 318 etot -8.8214E+01 mv 1 91 150 187 0 + 4 e 280 337 etot -8.3978E+01 mv 1 91 199 -185 0 + 4 e 306 330 etot -8.3466E+01 mv 1 91 69 64 0 + 4 e 327 335 etot -8.2208E+01 mv 1 91 133 -2 0 + 4 e 447 322 etot -7.4287E+01 mv 1 91 45 -71 0 + 4 e 302 342 etot -8.6961E+01 mv 1 91 100 22 0 + 4 e 265 331 etot -8.6982E+01 mv 1 91 133 -200 0 + 4 e 361 340 etot -8.7511E+01 mv 1 91 199 -167 0 + 4 e 452 301 etot -8.3575E+01 mv 1 91 49 26 0 + -1 e 1 364 etot 1.3528E+20 mv 1 91 128 146 0 + 4 e 399 339 etot -6.9871E+01 mv 1 91 199 -112 0 + 4 e 291 333 etot -8.7083E+01 mv 1 91 133 -159 0 + -1 e 1 367 etot 1.3528E+20 mv 1 91 11 55 0 + 4 e 471 309 etot -7.6908E+01 mv 1 91 54 186 0 + 4 e 212 351 etot -8.6828E+01 mv 1 91 48 112 0 + 4 e 415 341 etot -8.5381E+01 mv 1 91 100 30 0 + 4 e 213 357 etot -8.6925E+01 mv 1 91 146 -188 0 + 4 e 268 346 etot -8.6959E+01 mv 1 91 134 127 0 + 4 e 267 356 etot -8.6924E+01 mv 1 91 146 154 0 + 4 e 284 353 etot -8.5984E+01 mv 1 91 48 -118 0 + 4 e 318 350 etot -8.6959E+01 mv 1 91 134 58 0 + 4 e 616 328 etot -7.7983E+01 mv 1 91 69 32 0 + 4 e 205 361 etot -8.6808E+01 mv 1 91 128 160 0 + 4 e 375 348 etot -8.2664E+01 mv 1 91 134 142 0 + 4 e 206 352 etot -7.5488E+01 mv 1 91 48 170 0 + 4 e 250 358 etot -8.6925E+01 mv 1 91 146 137 0 + 4 e 500 344 etot -8.1150E+01 mv 1 91 100 -177 0 + 4 e 338 355 etot -8.3435E+01 mv 1 91 48 101 0 + 4 e 294 359 etot -7.5281E+01 mv 1 91 146 -9 0 + 4 e 669 329 etot -8.3986E+01 mv 1 91 69 -89 0 + 4 e 376 354 etot -7.0573E+01 mv 1 91 48 -154 0 + 4 e 181 371 etot -8.9617E+01 mv 1 91 115 85 0 + 4 e 465 349 etot -8.6232E+01 mv 1 91 134 65 0 + 4 e 231 370 etot -8.6883E+01 mv 1 91 11 -10 0 c 11 1.2 0.0 + 4 e 514 326 etot -7.8887E+01 mv 1 91 69 -54 0 + 4 e 323 363 etot -8.0508E+01 mv 1 91 128 -166 0 + 4 e 218 365 etot -8.6807E+01 mv 1 91 128 133 0 + 4 e 543 324 etot -8.1047E+01 mv 1 91 45 -12 0 + 4 e 412 360 etot -7.9099E+01 mv 1 91 146 -32 0 + 4 e 411 347 etot -8.0394E+01 mv 1 91 134 37 0 + 4 e 255 362 etot -8.5411E+01 mv 1 91 128 58 0 + 4 e 642 317 etot -8.0300E+01 mv 1 91 150 -38 0 + 4 e 189 381 etot -8.6774E+01 mv 1 91 103 -193 0 + 4 e 213 377 etot -8.7007E+01 mv 1 91 172 192 0 + 4 e 246 376 etot -8.4319E+01 mv 1 91 172 45 0 + 4 e 248 378 etot -7.6470E+01 mv 1 91 172 -30 0 + 4 e 10 401 etot -8.6144E+01 mv 0 91 49 0 0 c 49 0.0 0.0 + 4 e 2 402 etot -8.9262E+01 mv 0 91 54 0 0 + 4 e 314 372 etot -8.8372E+01 mv 1 91 115 -27 0 + 4 e 2 404 etot -8.8216E+01 mv 0 91 150 0 0 + 4 e 557 338 etot -8.7497E+01 mv 1 91 199 -166 0 + 4 e 10 405 etot -8.7827E+01 mv 0 91 45 0 0 c 45 0.0 0.0 + 4 e 244 383 etot -8.6476E+01 mv 1 91 103 61 0 + 4 e 216 373 etot -8.9617E+01 mv 1 91 115 124 0 + 4 e 229 385 etot -8.6729E+01 mv 1 91 103 85 0 + 4 e 220 386 etot -8.8634E+01 mv 1 91 108 104 0 + 4 e 472 366 etot -8.6882E+01 mv 1 91 11 66 0 + 4 e 218 387 etot -8.6446E+01 mv 1 91 108 170 0 + 4 e 17 409 etot -8.6962E+01 mv 0 91 100 0 0 c 100 0.0 0.0 + 4 e 55 407 etot -8.7083E+01 mv 0 91 133 0 0 c 133 0.1 0.0 + 4 e 22 412 etot -8.6925E+01 mv 0 91 146 0 0 c 146 0.0 0.0 + 4 e 185 391 etot -8.6731E+01 mv 1 91 67 -10 0 + 4 e 15 415 etot -8.9617E+01 mv 0 91 115 0 0 c 115 0.0 0.0 + 4 e 12 417 etot -8.6774E+01 mv 0 91 103 0 0 c 103 0.0 0.0 + 4 e 10 419 etot -8.6731E+01 mv 0 91 67 0 0 c 67 0.0 0.0 +## N0 total= 22 close= 20 far= 0 %acc 90.9 +## N1 total= 98 close= 2 far= 0 %acc 2.0 +## N2 total= 100 close= 5 far= 0 %acc 5.0 +## N3 total= 0 close= 0 far= 0 %acc 0.0 +## N4 total= 0 close= 0 far= 0 %acc 0.0 +## N5 total= 0 close= 0 far= 0 %acc 0.0 +## N6 total= 200 close= 9 far= 0 %acc 4.5 +## N7 total= 0 close= 0 far= 0 %acc 0.0 +## N8 total= 0 close= 0 far= 0 %acc 0.0 +## N9 total= 0 close= 0 far= 0 %acc 0.0 +##N10 total= 0 close= 0 far= 0 %acc 0.0 +##N11 total= 0 close= 0 far= 0 %acc 0.0 +##N12 total= 0 close= 0 far= 0 %acc 0.0 +##N13 total= 0 close= 0 far= 0 %acc 0.0 +##N14 total= 0 close= 0 far= 0 %acc 0.0 +##N15 total= 0 close= 0 far= 0 %acc 0.0 +##N16 total= 0 close= 0 far= 0 %acc 0.0 +##N17 total= 0 close= 0 far= 0 %acc 0.0 +##N18 total= 0 close= 0 far= 0 %acc 0.0 + Time for refresh 92 0.32 + make_var : nseed= 20 ntry= 420 + Time for make trial 93 0.06 +Nonsetup time 194.93 sec, Eval/s = 58101.86 +Time for iter 93 1.79 sec, Eval/s = 64358.51 + UPDATING 420 + 4 e 688 382 etot -8.5650E+01 mv 1 91 103 59 0 + 4 e 399 375 etot -8.9617E+01 mv 1 91 115 174 0 + 4 e 374 388 etot -8.6741E+01 mv 1 91 108 -169 0 + 4 e 222 399 etot -8.6804E+01 mv 1 91 5 39 0 c 5 38.6 0.1 + 4 e 38 420 etot -8.6680E+01 mv 0 91 5 0 0 + 4 e 91 410 etot -8.6960E+01 mv 0 91 134 0 0 c 134 0.1 0.0 + 4 e 401 394 etot -8.6730E+01 mv 1 91 67 85 0 + 4 e 122 403 etot -9.1405E+01 mv 0 91 200 0 0 c 200 0.9 0.0 + 4 e 73 413 etot -8.6808E+01 mv 0 91 128 0 0 + 4 e 227 398 etot -6.7414E+01 mv 1 91 5 -40 0 + 4 e 329 384 etot -8.6774E+01 mv 1 91 103 -195 0 + 4 e 67 411 etot -8.6829E+01 mv 0 91 48 0 0 c 48 0.3 0.0 + -1 e 1 4 etot 1.3528E+20 mv 6 92 189 40 0 + 4 e 195 400 etot -8.6422E+01 mv 1 91 5 -182 0 + 4 e 458 379 etot -8.2150E+01 mv 1 91 172 28 0 + 4 e 548 374 etot -8.9615E+01 mv 1 91 115 -31 0 + 4 e 57 416 etot -8.7008E+01 mv 0 91 172 0 0 c 172 0.4 0.0 + 4 e 123 418 etot -8.6742E+01 mv 0 91 108 0 0 + 4 e 85 408 etot -8.7921E+01 mv 0 91 199 0 0 c 199 0.5 0.0 + 4 e 362 389 etot -8.8633E+01 mv 1 91 108 107 0 + 4 e 652 369 etot -8.8627E+01 mv 1 91 11 -63 0 + -1 e 1 14 etot 1.3528E+20 mv 6 92 17 181 0 + 4 e 181 396 etot -8.6804E+01 mv 1 91 5 193 0 c 5 1.7 0.0 + 4 e 622 345 etot -7.9369E+01 mv 1 91 100 158 0 + 4 e 69 406 etot -8.7723E+01 mv 0 91 69 0 0 c 69 0.3 0.0 + 4 e 511 368 etot -8.7194E+01 mv 1 91 11 48 0 + -1 e 1 18 etot 1.3528E+20 mv 6 92 17 23 0 + -1 e 1 20 etot 1.3528E+20 mv 6 92 17 91 0 + 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144 0 + 4 e 331 350 etot -8.6566E+01 mv 1 92 99 -1 0 + 4 e 333 352 etot -7.4595E+01 mv 1 92 3 57 0 + 4 e 221 368 etot -8.6485E+01 mv 1 92 80 142 0 c 80 2.9 0.0 + 4 e 492 336 etot -7.8367E+01 mv 1 92 34 4 0 + 4 e 260 364 etot -8.5472E+01 mv 1 92 113 -51 0 + 4 e 240 369 etot -8.6485E+01 mv 1 92 80 31 0 + 4 e 184 376 etot -8.7022E+01 mv 1 92 108 105 0 + 4 e 194 363 etot -8.6504E+01 mv 1 92 113 115 0 + 4 e 275 353 etot -8.6554E+01 mv 1 92 3 78 0 + 4 e 149 381 etot -8.6445E+01 mv 1 92 109 -143 0 + 4 e 267 371 etot -8.7318E+01 mv 1 92 132 100 0 + 4 e 270 375 etot -7.7385E+01 mv 1 92 132 -67 0 + 4 e 298 372 etot -8.6958E+01 mv 1 92 132 6 0 + 4 e 357 359 etot -8.6894E+01 mv 1 92 138 101 0 + 4 e 242 366 etot -8.6485E+01 mv 1 92 80 -82 0 c 80 1.6 0.0 + 4 e 386 362 etot -7.4883E+01 mv 1 92 113 170 0 + -1 e 1 399 etot 1.3528E+20 mv 1 92 31 162 0 + 4 e 535 324 etot -8.7747E+01 mv 1 92 23 114 0 + 4 e 331 354 etot -8.3002E+01 mv 1 92 3 -36 0 + 4 e 10 401 etot -8.6035E+01 mv 0 92 189 0 0 + 4 e 12 402 etot -9.2490E+01 mv 0 92 17 0 0 c 17 0.0 0.0 + 4 e 312 380 etot -8.7022E+01 mv 1 92 108 -103 0 + 4 e 333 387 etot -7.3126E+01 mv 1 92 111 65 0 + 4 e 245 396 etot -8.5675E+01 mv 1 92 31 160 0 + 4 e 443 377 etot -8.7021E+01 mv 1 92 108 162 0 + 4 e 440 379 etot -8.2593E+01 mv 1 92 108 -161 0 + 4 e 177 388 etot -8.6439E+01 mv 1 92 111 58 0 + 4 e 191 384 etot -8.6445E+01 mv 1 92 109 180 0 + 4 e 248 394 etot -8.2723E+01 mv 1 92 38 -148 0 + 4 e 466 374 etot -8.6591E+01 mv 1 92 132 -39 0 + 4 e 310 389 etot -7.4690E+01 mv 1 92 111 -46 0 + 4 e 479 360 etot -8.6895E+01 mv 1 92 138 91 0 + 4 e 265 390 etot -8.6439E+01 mv 1 92 111 148 0 + 4 e 157 393 etot -8.6378E+01 mv 1 92 38 -11 0 + 4 e 142 395 etot -8.6378E+01 mv 1 92 38 28 0 + 4 e 400 378 etot -8.2336E+01 mv 1 92 108 -112 0 + 4 e 325 385 etot -8.2611E+01 mv 1 92 109 70 0 +## N0 total= 12 close= 8 far= 0 %acc 66.7 +## N1 total= 108 close= 6 far= 0 %acc 5.6 +## N2 total= 100 close= 2 far= 0 %acc 2.0 +## N3 total= 0 close= 0 far= 0 %acc 0.0 +## N4 total= 0 close= 0 far= 0 %acc 0.0 +## N5 total= 0 close= 0 far= 0 %acc 0.0 +## N6 total= 200 close= 7 far= 0 %acc 3.5 +## N7 total= 0 close= 0 far= 0 %acc 0.0 +## N8 total= 0 close= 0 far= 0 %acc 0.0 +## N9 total= 0 close= 0 far= 0 %acc 0.0 +##N10 total= 0 close= 0 far= 0 %acc 0.0 +##N11 total= 0 close= 0 far= 0 %acc 0.0 +##N12 total= 0 close= 0 far= 0 %acc 0.0 +##N13 total= 0 close= 0 far= 0 %acc 0.0 +##N14 total= 0 close= 0 far= 0 %acc 0.0 +##N15 total= 0 close= 0 far= 0 %acc 0.0 +##N16 total= 0 close= 0 far= 0 %acc 0.0 +##N17 total= 0 close= 0 far= 0 %acc 0.0 +##N18 total= 0 close= 0 far= 0 %acc 0.0 + Time for refresh 93 0.30 + make_var : nseed= 20 ntry= 420 + Time for make trial 94 0.06 +Nonsetup time 196.74 sec, Eval/s = 58155.16 +Time for iter 94 1.81 sec, Eval/s = 63899.37 + UPDATING 420 + 4 e 20 405 etot -8.8628E+01 mv 0 92 23 0 0 c 23 0.0 0.0 + 4 e 97 406 etot -8.7637E+01 mv 0 92 128 0 0 + 4 e 52 407 etot -8.7444E+01 mv 0 92 8 0 0 c 8 0.9 0.0 + 4 e 9 408 etot -8.6812E+01 mv 0 92 34 0 0 c 34 0.0 0.0 + 4 e 48 409 etot -8.6648E+01 mv 0 92 164 0 0 c 164 0.0 0.0 + 4 e 11 410 etot -8.6567E+01 mv 0 92 99 0 0 c 99 0.0 0.0 + 4 e 10 411 etot -8.6555E+01 mv 0 92 3 0 0 c 3 0.0 0.0 + 4 e 10 412 etot -8.6896E+01 mv 0 92 138 0 0 c 138 0.0 0.0 + 4 e 392 400 etot -8.3814E+01 mv 1 92 31 40 0 + 4 e 26 413 etot -8.6504E+01 mv 0 92 113 0 0 c 113 0.0 0.0 + 4 e 121 414 etot -8.6485E+01 mv 0 92 80 0 0 c 80 1.4 0.0 + 4 e 73 415 etot -8.7319E+01 mv 0 92 132 0 0 c 132 0.5 0.0 + 4 e 79 416 etot -8.7022E+01 mv 0 92 108 0 0 c 108 0.5 0.0 + 4 e 10 417 etot -8.6445E+01 mv 0 92 109 0 0 + 4 e 11 418 etot -8.6439E+01 mv 0 92 111 0 0 c 111 0.0 0.0 + 4 e 27 419 etot -8.6378E+01 mv 0 92 38 0 0 c 38 0.0 0.0 + 4 e 2 420 etot -8.6372E+01 mv 0 92 31 0 0 + 4 e 192 386 etot -8.6439E+01 mv 1 92 111 -77 0 + 4 e 562 397 etot -7.8811E+01 mv 1 92 31 156 0 + 4 e 216 404 etot -8.7718E+01 mv 0 92 127 0 0 + 4 e 161 398 etot -8.6371E+01 mv 1 92 31 56 0 + 4 e 172 391 etot -8.6000E+01 mv 1 92 38 79 0 + 4 e 411 382 etot -8.5224E+01 mv 1 92 109 -181 0 + 4 e 15 403 etot -8.9009E+01 mv 0 92 9 0 0 + 4 e 419 358 etot -8.3758E+01 mv 1 92 138 -93 0 + 4 e 564 361 etot -7.8613E+01 mv 1 92 113 -41 0 + 4 e 316 370 etot -8.4459E+01 mv 1 92 80 -107 0 + 4 e 363 383 etot -8.0096E+01 mv 1 92 109 -68 0 + 4 e 175 392 etot -8.6378E+01 mv 1 92 38 108 0 + 4 e 414 373 etot -8.6729E+01 mv 1 92 132 197 0 + 4 e 372 349 etot -8.6565E+01 mv 1 92 99 -116 0 + -1 e 1 19 etot 1.3528E+20 mv 6 93 158 46 0 + 4 e 12 31 etot -8.5600E+01 mv 6 93 109 2 0 c 2 0.0 0.0 + 4 e 42 16 etot -8.7083E+01 mv 6 93 158 133 0 c 133 0.1 0.0 + 8 e 31 22 etot -6.3994E+01 mv 6 93 102 8 0 + -1 e 1 35 etot 2.3607E+22 mv 6 93 109 150 0 + -1 e 1 36 etot 1.3528E+20 mv 6 93 109 131 0 + 4 e 54 20 etot -8.8780E+01 mv 6 93 158 7 0 c 7 0.1 0.0 + 4 e 158 14 etot -7.5126E+01 mv 6 93 158 41 0 + 4 e 132 6 etot -8.8969E+01 mv 6 93 163 81 0 + 4 e 177 8 etot -6.9141E+01 mv 6 93 163 24 0 + 4 e 209 3 etot -8.8554E+01 mv 6 93 163 126 0 + 4 e 206 1 etot -7.7660E+01 mv 6 93 163 104 0 + 4 e 228 23 etot -9.0745E+01 mv 6 93 102 8 0 + 4 e 262 27 etot -8.3550E+01 mv 6 93 102 29 0 + -1 e 1 45 etot 1.3528E+20 mv 6 93 130 131 0 + 4 e 277 4 etot -8.7723E+01 mv 6 93 163 136 0 + 4 e 283 28 etot -9.0745E+01 mv 6 93 102 136 0 + 4 e 287 12 etot -8.8746E+01 mv 6 93 158 166 0 + 4 e 302 33 etot -8.6139E+01 mv 6 93 109 127 0 + 4 e 284 30 etot -8.7782E+01 mv 6 93 102 55 0 + 4 e 312 7 etot -8.8968E+01 mv 6 93 163 164 0 + 4 e 337 26 etot -7.2800E+01 mv 6 93 102 198 0 + 4 e 323 9 etot -8.2729E+01 mv 6 93 163 3 0 + 4 e 298 38 etot -9.0645E+01 mv 6 93 109 199 0 + 4 e 321 29 etot -7.6161E+01 mv 6 93 102 153 0 + -1 e 1 56 etot 1.3528E+20 mv 6 93 128 8 0 + 4 e 225 40 etot -8.7692E+01 mv 6 93 109 33 0 c 109 3.4 0.0 + 4 e 385 17 etot -7.9875E+01 mv 6 93 158 83 0 + 4 e 397 25 etot -8.3590E+01 mv 6 93 102 57 0 + 4 e 93 50 etot -8.6165E+01 mv 6 93 130 71 0 c 71 0.5 0.0 + 4 e 449 5 etot -8.1729E+01 mv 6 93 163 190 0 + 4 e 373 37 etot -8.5108E+01 mv 6 93 109 156 0 + 4 e 259 42 etot -8.5643E+01 mv 6 93 130 100 0 + 4 e 486 2 etot -7.6972E+01 mv 6 93 163 113 0 + 4 e 261 43 etot -8.7170E+01 mv 6 93 130 124 0 + -1 e 1 66 etot 1.3528E+20 mv 6 93 159 60 0 + 4 e 417 10 etot -7.9490E+01 mv 6 93 163 15 0 + 4 e 429 24 etot -8.9528E+01 mv 6 93 102 6 0 + -1 e 1 69 etot 1.3528E+20 mv 6 93 159 199 0 + 4 e 445 13 etot -8.8406E+01 mv 6 93 158 40 0 + 4 e 198 46 etot -8.7082E+01 mv 6 93 130 84 0 + 4 e 500 32 etot -8.6984E+01 mv 6 93 109 19 0 + 4 e 143 59 etot -7.3898E+01 mv 6 93 128 4 0 + 4 e 549 18 etot -8.8407E+01 mv 6 93 158 112 0 + -1 e 1 75 etot 1.3528E+20 mv 6 93 189 162 0 + 4 e 367 39 etot -8.6985E+01 mv 6 93 109 8 0 + 4 e 157 57 etot -7.4448E+01 mv 6 93 128 148 0 + 4 e 516 11 etot -8.8435E+01 mv 6 93 158 70 0 + 4 e 542 15 etot -8.8379E+01 mv 6 93 158 137 0 + 4 e 136 63 etot -8.0672E+01 mv 6 93 159 36 0 + 4 e 366 47 etot -8.7107E+01 mv 6 93 130 28 0 + 4 e 555 21 etot -8.4012E+01 mv 6 93 102 64 0 + -1 e 1 83 etot 1.3528E+20 mv 6 93 149 119 0 + 4 e 230 52 etot -8.9559E+01 mv 6 93 128 81 0 + 4 e 618 34 etot -8.2283E+01 mv 6 93 109 149 0 + 4 e 265 62 etot -8.6870E+01 mv 6 93 159 185 0 + -1 e 1 87 etot 2.1659E+30 mv 6 93 149 110 0 + 4 e 293 65 etot -7.6299E+01 mv 6 93 159 18 0 + 4 e 319 64 etot -8.0296E+01 mv 6 93 159 141 0 + 4 e 152 79 etot -6.8022E+01 mv 6 93 189 33 0 + 4 e 253 71 etot -8.5010E+01 mv 6 93 189 81 0 + 4 e 300 55 etot -8.2477E+01 mv 6 93 128 129 0 + -1 e 1 93 etot 1.3528E+20 mv 6 93 193 191 0 + 4 e 141 82 etot -8.6634E+01 mv 6 93 149 6 0 + 4 e 309 51 etot -8.8509E+01 mv 6 93 128 147 0 + 4 e 279 74 etot -8.5566E+01 mv 6 93 189 93 0 + 4 e 541 41 etot -8.5907E+01 mv 6 93 130 16 0 + 4 e 251 70 etot -8.4033E+01 mv 6 93 159 13 0 + 4 e 301 68 etot -8.4553E+01 mv 6 93 159 166 0 + 4 e 426 54 etot -7.8342E+01 mv 6 93 128 44 0 + 4 e 227 72 etot -8.7927E+01 mv 6 93 189 139 0 c 189 107.1 1.2 + 4 e 302 60 etot -7.9795E+01 mv 6 93 128 66 0 + -1 e 1 103 etot 1.9568E+22 mv 6 93 24 59 0 + 4 e 383 48 etot -7.6750E+01 mv 6 93 130 56 0 + -1 e 1 105 etot 1.3528E+20 mv 6 93 24 152 0 + 4 e 269 61 etot -8.6699E+01 mv 6 93 159 19 0 + -1 e 1 107 etot 1.3528E+20 mv 6 93 24 18 0 + -1 e 1 108 etot 1.3528E+20 mv 6 93 24 186 0 + 4 e 438 67 etot -7.5569E+01 mv 6 93 159 131 0 + 4 e 336 58 etot -8.3250E+01 mv 6 93 128 129 0 + 4 e 307 80 etot -8.5947E+01 mv 6 93 189 89 0 + 4 e 511 44 etot -8.7206E+01 mv 6 93 130 66 0 + 4 e 269 86 etot -8.6435E+01 mv 6 93 149 80 0 + 4 e 414 53 etot -8.6188E+01 mv 6 93 128 197 0 + 4 e 203 89 etot -7.8418E+01 mv 6 93 149 43 0 + 4 e 367 77 etot -8.2243E+01 mv 6 93 189 104 0 + 4 e 399 76 etot -8.3425E+01 mv 6 93 189 124 0 + -1 e 1 117 etot 1.3528E+20 mv 6 93 70 99 0 + 4 e 233 78 etot -8.6696E+01 mv 6 93 189 198 0 + 4 e 238 84 etot -8.8270E+01 mv 6 93 149 18 0 + -1 e 1 121 etot 1.3528E+20 mv 6 93 83 192 0 + 4 e 494 73 etot -7.8438E+01 mv 6 93 189 49 0 + 4 e 258 91 etot -8.8438E+01 mv 6 93 193 111 0 + 4 e 284 92 etot -8.8129E+01 mv 6 93 193 33 0 + 4 e 2 125 etot -8.8574E+01 mv 6 93 83 59 0 + 4 e 2 126 etot -8.7740E+01 mv 6 93 83 178 0 + 4 e 695 49 etot -8.1017E+01 mv 6 93 130 155 0 + 4 e 375 88 etot -8.5247E+01 mv 6 93 149 171 0 + -1 e 1 129 etot 1.3528E+20 mv 6 93 83 67 0 + 4 e 335 85 etot -8.6633E+01 mv 6 93 149 63 0 + 4 e 313 95 etot -8.8437E+01 mv 6 93 193 53 0 + 4 e 300 100 etot -8.8437E+01 mv 6 93 193 186 0 + 4 e 213 102 etot -7.4828E+01 mv 6 93 24 173 0 + 4 e 278 110 etot -8.6657E+01 mv 6 93 24 57 0 c 24 14.2 0.0 + 4 e 327 98 etot -8.0545E+01 mv 6 93 193 144 0 + 4 e 233 116 etot -8.6437E+01 mv 6 93 70 89 0 + -1 e 1 137 etot 1.3528E+20 mv 6 93 188 151 0 + 4 e 378 101 etot -8.6235E+01 mv 6 93 24 56 0 + 4 e 406 81 etot -8.8269E+01 mv 6 93 149 140 0 + 4 e 285 118 etot -8.8007E+01 mv 6 93 70 63 0 + -1 e 1 141 etot 1.3528E+20 mv 6 93 57 93 0 + 4 e 437 97 etot -9.1486E+01 mv 6 93 193 73 0 + 4 e 313 99 etot -7.6277E+01 mv 6 93 193 187 0 + 4 e 299 96 etot -8.0416E+01 mv 6 93 193 115 0 + 4 e 250 123 etot -8.6147E+01 mv 6 93 83 130 0 + 4 e 343 119 etot -7.1083E+01 mv 6 93 70 143 0 + 4 e 390 112 etot -8.1815E+01 mv 6 93 70 74 0 + 4 e 280 124 etot -8.2116E+01 mv 6 93 83 141 0 + 4 e 402 114 etot -7.3203E+01 mv 6 93 70 137 0 + 4 e 271 109 etot -8.5023E+01 mv 6 93 24 44 0 + 4 e 450 111 etot -7.4112E+01 mv 6 93 70 19 0 + -1 e 1 152 etot 1.3528E+20 mv 6 93 39 196 0 + 4 e 222 120 etot -8.6283E+01 mv 6 93 70 145 0 + 4 e 384 94 etot -9.0781E+01 mv 6 93 193 126 0 + 4 e 322 127 etot -8.5541E+01 mv 6 93 83 6 0 c 153 219.7 0.3 + 4 e 290 113 etot -8.6282E+01 mv 6 93 70 124 0 + 4 e 371 104 etot -7.9206E+01 mv 6 93 24 100 0 + 4 e 330 115 etot -9.0104E+01 mv 6 93 70 135 0 + 4 e 276 122 etot -7.7972E+01 mv 6 93 83 154 0 + 4 e 277 136 etot -6.6556E+01 mv 6 93 188 161 0 + 4 e 364 130 etot -8.2525E+01 mv 6 93 83 129 0 + 4 e 706 90 etot -8.0784E+01 mv 6 93 149 30 0 + 4 e 180 148 etot -6.3238E+01 mv 6 93 57 127 0 + 4 e 324 135 etot -8.7759E+01 mv 6 93 188 128 0 + 4 e 314 138 etot -8.4943E+01 mv 6 93 188 156 0 + 4 e 411 132 etot -7.7813E+01 mv 6 93 188 65 0 + 4 e 279 142 etot -8.5921E+01 mv 6 93 57 190 0 + 4 e 375 133 etot -7.7793E+01 mv 6 93 188 79 0 + 4 e 461 128 etot -8.6530E+01 mv 6 93 83 45 0 + 4 e 285 143 etot -8.4415E+01 mv 6 93 57 15 0 + 4 e 471 131 etot -8.2549E+01 mv 6 93 188 9 0 + 4 e 282 147 etot -7.5389E+01 mv 6 93 57 86 0 + 4 e 475 106 etot -7.1486E+01 mv 6 93 24 192 0 + 4 e 225 145 etot -7.0473E+01 mv 6 93 57 87 0 + -1 e 1 175 etot 1.3528E+20 mv 6 93 168 8 0 + 4 e 322 150 etot -7.6611E+01 mv 6 93 57 33 0 + 4 e 206 162 etot -8.3387E+01 mv 6 93 29 186 0 + 4 e 453 139 etot -7.1890E+01 mv 6 93 188 70 0 + 4 e 281 144 etot -7.9542E+01 mv 6 93 57 127 0 + 4 e 204 165 etot -8.6465E+01 mv 6 93 29 127 0 + 4 e 251 163 etot -8.6464E+01 mv 6 93 29 131 0 + 4 e 350 140 etot -7.7029E+01 mv 6 93 188 54 0 + 4 e 287 161 etot -9.0900E+01 mv 6 93 29 109 0 + 4 e 445 146 etot -8.6089E+01 mv 6 93 57 69 0 + 4 e 222 155 etot -7.4010E+01 mv 6 93 39 72 0 + 4 e 266 164 etot -8.6351E+01 mv 6 93 29 84 0 + 4 e 242 166 etot -8.5481E+01 mv 6 93 29 198 0 + 4 e 264 151 etot -8.5861E+01 mv 6 93 39 108 0 + 4 e 373 156 etot -8.6891E+01 mv 6 93 39 186 0 + 4 e 437 153 etot -8.1802E+01 mv 6 93 39 143 0 + -1 e 1 191 etot 1.3528E+20 mv 6 93 183 143 0 + 4 e 233 173 etot -8.3822E+01 mv 6 93 168 115 0 + 4 e 316 154 etot -8.6089E+01 mv 6 93 39 43 0 c 39 67.6 0.2 + 4 e 274 169 etot -8.3387E+01 mv 6 93 29 188 0 + 4 e 171 179 etot -6.4991E+01 mv 6 93 168 167 0 + 4 e 560 149 etot -8.9044E+01 mv 6 93 57 35 0 + 4 e 341 158 etot -8.0580E+01 mv 6 93 39 200 0 + 4 e 333 171 etot -7.4818E+01 mv 6 93 168 32 0 + -1 e 1 199 etot 1.3528E+20 mv 6 93 183 69 0 + 4 e 384 168 etot -9.0900E+01 mv 6 93 29 8 0 + 4 e 194 182 etot -7.1380E+01 mv 6 93 144 43 0 + 4 e 521 134 etot -8.0444E+01 mv 6 93 188 62 0 + 4 e 194 185 etot -7.5226E+01 mv 6 93 144 56 0 + 4 e 285 178 etot -7.0214E+01 mv 6 93 168 31 0 + 4 e 381 172 etot -7.3295E+01 mv 6 93 168 73 0 + 4 e 366 160 etot -8.5860E+01 mv 6 93 39 21 0 + 4 e 446 167 etot -8.4120E+01 mv 6 93 29 163 0 + 4 e 148 194 etot -7.0467E+01 mv 6 93 183 74 0 + 4 e 160 200 etot -7.5785E+01 mv 6 93 183 146 0 + 4 e 341 187 etot -7.6306E+01 mv 6 93 144 11 0 + 4 e 554 170 etot -9.2230E+01 mv 6 93 29 35 0 + 4 e 121 203 etot -8.8969E+01 mv 2 93 163 44 0 + 4 e 142 198 etot -8.8197E+01 mv 6 93 183 117 0 + 4 e 345 190 etot -7.8974E+01 mv 6 93 144 170 0 + 4 e 229 186 etot -8.5859E+01 mv 6 93 144 55 0 + 4 e 164 208 etot -7.2821E+01 mv 2 93 158 99 0 + 4 e 383 184 etot -8.7380E+01 mv 6 93 144 146 0 + 4 e 462 157 etot -7.8840E+01 mv 6 93 39 178 0 + 4 e 274 183 etot -8.8917E+01 mv 6 93 144 115 0 + 4 e 273 197 etot -9.1814E+01 mv 6 93 183 18 0 + 4 e 207 205 etot -8.7386E+01 mv 2 93 163 140 0 + 4 e 540 177 etot -8.5246E+01 mv 6 93 168 136 0 + 4 e 384 176 etot -8.1584E+01 mv 6 93 168 57 0 + 4 e 438 188 etot -8.5858E+01 mv 6 93 144 59 0 + 4 e 254 206 etot -8.8861E+01 mv 2 93 158 36 0 c 158 2.1 0.0 + 4 e 531 181 etot -8.5858E+01 mv 6 93 144 68 0 + 4 e 181 210 etot -8.8861E+01 mv 2 93 158 -111 0 c 158 1.0 0.0 + 4 e 570 159 etot -8.5904E+01 mv 6 93 39 44 0 + 4 e 330 189 etot -7.6053E+01 mv 6 93 144 117 0 + 4 e 324 204 etot -5.6537E+01 mv 2 93 163 134 0 + -1 e 1 231 etot 1.3528E+20 mv 2 93 159 91 0 + 4 e 438 195 etot -8.5108E+01 mv 6 93 183 25 0 + 4 e 496 192 etot -8.3465E+01 mv 6 93 183 163 0 + -1 e 1 234 etot 1.3528E+20 mv 2 93 159 -92 0 + -1 e 1 235 etot 1.3528E+20 mv 2 93 159 -3 0 + 4 e 235 207 etot -7.7167E+01 mv 2 93 158 -152 0 + 4 e 246 212 etot -8.7782E+01 mv 2 93 102 43 0 + 4 e 246 215 etot -8.6807E+01 mv 2 93 102 -16 0 + 4 e 457 201 etot -8.1444E+01 mv 2 93 163 -126 0 + 4 e 452 202 etot -8.3156E+01 mv 2 93 163 -103 0 + 4 e 266 217 etot -8.7691E+01 mv 2 93 109 -26 0 + 4 e 266 218 etot -7.8690E+01 mv 2 93 109 -119 0 + 4 e 196 225 etot -8.7208E+01 mv 2 93 130 9 0 + 4 e 546 196 etot -8.7801E+01 mv 6 93 183 16 0 + 4 e 603 193 etot -8.6347E+01 mv 6 93 183 117 0 + -1 e 1 246 etot 1.3528E+20 mv 2 93 193 44 0 + 4 e 236 226 etot -8.7905E+01 mv 2 93 128 146 0 c 128 1.8 0.0 + 4 e 232 220 etot -8.7691E+01 mv 2 93 109 165 0 + 4 e 236 228 etot -8.4828E+01 mv 2 93 128 100 0 + 4 e 228 216 etot 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229 etot -8.1588E+01 mv 2 93 128 -55 0 + 4 e 162 278 etot -8.5861E+01 mv 2 93 39 200 0 + 4 e 594 247 etot -8.9524E+01 mv 2 93 193 138 0 + 4 e 345 252 etot -8.4926E+01 mv 2 93 24 -178 0 + 4 e 337 270 etot -7.5397E+01 mv 2 93 188 -3 0 + 4 e 477 254 etot -7.5822E+01 mv 2 93 24 -61 0 + 4 e 467 253 etot -8.0265E+01 mv 2 93 24 -200 0 + 4 e 327 271 etot -8.6019E+01 mv 2 93 57 198 0 + 4 e 394 266 etot -7.1688E+01 mv 2 93 188 67 0 + 4 e 184 281 etot -8.6465E+01 mv 2 93 29 -68 0 + 4 e 596 250 etot -8.8950E+01 mv 2 93 193 45 0 + 4 e 339 259 etot -7.9648E+01 mv 2 93 70 -62 0 + 4 e 332 274 etot -8.3361E+01 mv 2 93 57 174 0 + 4 e 310 268 etot -8.0218E+01 mv 2 93 188 -112 0 + 4 e 234 283 etot -8.6464E+01 mv 2 93 29 -101 0 + 4 e 357 275 etot -8.0666E+01 mv 2 93 57 -146 0 + 4 e 146 286 etot -8.5860E+01 mv 2 93 168 140 0 + 4 e 166 293 etot -8.5859E+01 mv 2 93 144 3 0 + 4 e 475 249 etot -8.1913E+01 mv 2 93 193 88 0 + 4 e 344 279 etot -7.5245E+01 mv 2 93 39 -113 0 + 4 e 121 302 etot -8.8969E+01 mv 1 93 163 56 0 + 4 e 346 280 etot -7.9014E+01 mv 2 93 39 -97 0 + 4 e 236 296 etot -7.4647E+01 mv 2 93 183 181 0 + 4 e 265 294 etot -7.0991E+01 mv 2 93 144 -145 0 + 4 e 162 295 etot -8.5859E+01 mv 2 93 144 -168 0 + 4 e 295 277 etot -8.4247E+01 mv 2 93 39 -48 0 + 4 e 229 299 etot -8.5726E+01 mv 2 93 183 128 0 + 4 e 530 251 etot -8.6611E+01 mv 2 93 24 18 0 + 4 e 396 282 etot -8.2815E+01 mv 2 93 29 -32 0 + 4 e 311 289 etot -7.5020E+01 mv 2 93 168 102 0 + 4 e 265 297 etot -8.5726E+01 mv 2 93 183 -20 0 + -1 e 1 322 etot 5.4788E+20 mv 1 93 130 -141 0 + 4 e 258 298 etot -7.4332E+01 mv 2 93 183 -165 0 + 4 e 369 285 etot -6.8299E+01 mv 2 93 29 -190 0 + 4 e 234 292 etot -7.3055E+01 mv 2 93 144 -160 0 + 4 e 354 291 etot -8.0686E+01 mv 2 93 144 -13 0 + 4 e 351 290 etot -8.2335E+01 mv 2 93 168 184 0 + 4 e 150 305 etot -8.8969E+01 mv 1 93 163 -121 0 + 4 e 315 284 etot -9.0899E+01 mv 2 93 29 176 0 + 4 e 324 300 etot -8.5198E+01 mv 2 93 183 -58 0 + 4 e 263 304 etot -7.7584E+01 mv 1 93 163 -181 0 + -1 e 1 332 etot 1.3528E+20 mv 1 93 159 16 0 + 4 e 495 267 etot -7.1845E+01 mv 2 93 188 -15 0 + 4 e 326 301 etot -7.6122E+01 mv 1 93 163 63 0 + 4 e 251 307 etot -8.8861E+01 mv 1 93 158 101 0 + 4 e 289 306 etot -8.8860E+01 mv 1 93 158 97 0 + 4 e 266 312 etot -8.7782E+01 mv 1 93 102 153 0 + 4 e 199 318 etot -8.7692E+01 mv 1 93 109 26 0 + -1 e 1 339 etot 1.3528E+20 mv 1 93 189 -32 0 + 4 e 301 311 etot -8.7782E+01 mv 1 93 102 84 0 + 4 e 223 323 etot -8.7208E+01 mv 1 93 130 73 0 + 4 e 185 327 etot -8.7905E+01 mv 1 93 128 -111 0 + 4 e 163 331 etot -8.6870E+01 mv 1 93 159 58 0 + 4 e 226 325 etot -8.7207E+01 mv 1 93 130 -70 0 + 4 e 252 310 etot -8.8861E+01 mv 1 93 158 170 0 + 4 e 328 303 etot -8.8968E+01 mv 1 93 163 114 0 + 4 e 365 313 etot -8.4256E+01 mv 1 93 102 -190 0 + 4 e 428 288 etot -8.4311E+01 mv 2 93 168 29 0 + -1 e 1 349 etot 1.3528E+20 mv 1 93 193 141 0 + 4 e 222 316 etot -8.7691E+01 mv 1 93 109 -193 0 + 4 e 252 328 etot -8.6881E+01 mv 1 93 128 31 0 + 4 e 288 308 etot -8.8860E+01 mv 1 93 158 -64 0 + 4 e 125 338 etot -8.6697E+01 mv 1 93 189 146 0 + 4 e 165 330 etot -8.7905E+01 mv 1 93 128 197 0 + 4 e 445 309 etot -8.0680E+01 mv 1 93 158 -103 0 + 4 e 268 335 etot -8.6870E+01 mv 1 93 159 -149 0 + 4 e 509 287 etot -7.4878E+01 mv 2 93 168 -84 0 + 4 e 237 326 etot -8.6881E+01 mv 1 93 128 144 0 + 4 e 425 320 etot -8.7691E+01 mv 1 93 109 -92 0 + 4 e 420 324 etot -7.9337E+01 mv 1 93 130 -103 0 + 4 e 187 343 etot -8.6634E+01 mv 1 93 149 -66 0 + 4 e 310 336 etot -8.4873E+01 mv 1 93 189 75 0 + -1 e 1 362 etot 1.3528E+20 mv 1 93 83 -84 0 + 4 e 452 321 etot -8.3245E+01 mv 1 93 130 -126 0 + 4 e 328 319 etot -7.8026E+01 mv 1 93 109 -190 0 + 4 e 257 334 etot -8.1330E+01 mv 1 93 159 82 0 + 4 e 400 333 etot -8.1886E+01 mv 1 93 159 -178 0 + 4 e 307 340 etot -8.5204E+01 mv 1 93 189 -143 0 + 4 e 561 315 etot -8.8699E+01 mv 1 93 102 -41 0 + 4 e 321 329 etot -8.8258E+01 mv 1 93 128 -98 0 + 4 e 323 341 etot -8.6632E+01 mv 1 93 149 -73 0 + 4 e 190 346 etot -8.8438E+01 mv 1 93 193 -62 0 + 4 e 581 314 etot -8.8261E+01 mv 1 93 102 -77 0 + 4 e 340 342 etot -8.5613E+01 mv 1 93 149 198 0 + 4 e 280 348 etot -8.8436E+01 mv 1 93 193 8 0 + 4 e 452 337 etot -8.4872E+01 mv 1 93 189 -88 0 + 4 e 435 317 etot -7.4054E+01 mv 1 93 109 58 0 + 4 e 124 369 etot -8.2481E+01 mv 1 93 188 -140 0 + 4 e 209 355 etot -8.6613E+01 mv 1 93 24 -128 0 + 4 e 218 353 etot -7.8607E+01 mv 1 93 24 16 0 + 4 e 207 364 etot -8.6354E+01 mv 1 93 83 170 0 + -1 e 1 382 etot 1.3528E+20 mv 1 93 29 -60 0 + 4 e 205 365 etot -8.6354E+01 mv 1 93 83 103 0 + 4 e 246 363 etot -8.6354E+01 mv 1 93 83 -90 0 + 4 e 277 347 etot -8.8438E+01 mv 1 93 193 99 0 + 4 e 453 344 etot -7.9344E+01 mv 1 93 149 -184 0 + 4 e 172 370 etot -8.6002E+01 mv 1 93 188 -81 0 + 4 e 433 356 etot -7.7859E+01 mv 1 93 70 -135 0 + 4 e 330 361 etot -6.8869E+01 mv 1 93 83 -129 0 + 4 e 194 375 etot -8.5921E+01 mv 1 93 57 -178 0 + 4 e 501 345 etot -8.4831E+01 mv 1 93 149 185 0 + 4 e 311 368 etot -7.9372E+01 mv 1 93 188 -70 0 + 4 e 517 352 etot -8.6611E+01 mv 1 93 24 -23 0 + 4 e 439 360 etot -8.6436E+01 mv 1 93 70 -88 0 + 4 e 297 374 etot -8.2922E+01 mv 1 93 57 -128 0 + 4 e 545 354 etot -8.1753E+01 mv 1 93 24 80 0 + 4 e 223 371 etot -8.5921E+01 mv 1 93 57 -138 0 + 4 e 130 390 etot -8.5860E+01 mv 1 93 168 -126 0 + 4 e 357 358 etot -7.9648E+01 mv 1 93 70 13 0 + 4 e 352 376 etot -8.5860E+01 mv 1 93 39 -93 0 + 4 e 355 377 etot -8.5860E+01 mv 1 93 39 -21 0 + 4 e 584 357 etot -7.8807E+01 mv 1 93 70 -95 0 + 4 e 439 350 etot -8.8137E+01 mv 1 93 193 -111 0 + 4 e 289 383 etot -8.6465E+01 mv 1 93 29 53 0 + 4 e 206 381 etot -8.6464E+01 mv 1 93 29 12 0 + 4 e 173 386 etot -8.5860E+01 mv 1 93 168 -132 0 + 4 e 15 405 etot -8.7208E+01 mv 0 93 130 0 0 c 130 0.0 0.0 + 4 e 455 351 etot -8.6612E+01 mv 1 93 24 91 0 + 4 e 40 401 etot -8.8969E+01 mv 0 93 163 0 0 c 163 0.1 0.0 + 4 e 394 359 etot -8.6435E+01 mv 1 93 70 -93 0 + 4 e 2 410 etot -8.8438E+01 mv 0 93 193 0 0 + 4 e 13 409 etot -8.6634E+01 mv 0 93 149 0 0 c 149 0.0 0.0 + 4 e 12 412 etot -8.6437E+01 mv 0 93 70 0 0 c 70 0.0 0.0 + 4 e 250 380 etot -8.5861E+01 mv 1 93 39 48 0 + 4 e 14 411 etot -8.6614E+01 mv 0 93 24 0 0 + 4 e 10 414 etot -8.6003E+01 mv 0 93 188 0 0 c 188 0.0 0.0 + 4 e 10 413 etot -8.6355E+01 mv 0 93 83 0 0 c 83 0.0 0.0 + 4 e 10 417 etot -8.6465E+01 mv 0 93 29 0 0 c 29 0.0 0.0 + 4 e 64 403 etot -8.7783E+01 mv 0 93 102 0 0 c 102 0.2 0.0 +## N0 total= 28 close= 21 far= 0 %acc 75.0 +## N1 total= 92 close= 0 far= 0 %acc 0.0 +## N2 total= 100 close= 4 far= 0 %acc 4.0 +## N3 total= 0 close= 0 far= 0 %acc 0.0 +## N4 total= 0 close= 0 far= 0 %acc 0.0 +## N5 total= 0 close= 0 far= 0 %acc 0.0 +## N6 total= 200 close= 9 far= 0 %acc 4.5 +## N7 total= 0 close= 0 far= 0 %acc 0.0 +## N8 total= 0 close= 0 far= 0 %acc 0.0 +## N9 total= 0 close= 0 far= 0 %acc 0.0 +##N10 total= 0 close= 0 far= 0 %acc 0.0 +##N11 total= 0 close= 0 far= 0 %acc 0.0 +##N12 total= 0 close= 0 far= 0 %acc 0.0 +##N13 total= 0 close= 0 far= 0 %acc 0.0 +##N14 total= 0 close= 0 far= 0 %acc 0.0 +##N15 total= 0 close= 0 far= 0 %acc 0.0 +##N16 total= 0 close= 0 far= 0 %acc 0.0 +##N17 total= 0 close= 0 far= 0 %acc 0.0 +##N18 total= 0 close= 0 far= 0 %acc 0.0 + Time for refresh 94 0.29 + make_var : nseed= 20 ntry= 420 + Time for make trial 95 0.05 +Nonsetup time 198.54 sec, Eval/s = 58229.31 +Time for iter 95 1.80 sec, Eval/s = 66348.52 + UPDATING 420 + 4 e 321 391 etot -8.5857E+01 mv 1 93 144 -25 0 + 4 e 297 394 etot -8.5859E+01 mv 1 93 144 19 0 + 4 e 513 389 etot -8.2039E+01 mv 1 93 168 5 0 + 4 e 430 385 etot -8.4329E+01 mv 1 93 29 160 0 + 4 e 474 372 etot -7.9973E+01 mv 1 93 57 -159 0 + 4 e 428 379 etot -8.1820E+01 mv 1 93 39 76 0 + 4 e 76 419 etot -8.5859E+01 mv 0 93 144 0 0 c 144 0.3 0.0 + 4 e 233 396 etot -8.5725E+01 mv 1 93 183 84 0 + 4 e 40 420 etot -8.5726E+01 mv 0 93 183 0 0 c 183 0.3 0.0 + 4 e 331 384 etot -7.3348E+01 mv 1 93 29 -170 0 + 4 e 167 399 etot -8.2343E+01 mv 1 93 183 107 0 + 4 e 142 408 etot -8.6697E+01 mv 0 93 189 0 0 + 4 e 458 393 etot -8.5858E+01 mv 1 93 144 -36 0 + 4 e 370 388 etot -7.9538E+01 mv 1 93 168 9 0 + -1 e 1 6 etot 1.3528E+20 mv 6 94 5 81 0 + 4 e 306 387 etot -8.2011E+01 mv 1 93 168 167 0 + 4 e 180 395 etot -8.5859E+01 mv 1 93 144 41 0 + 4 e 282 397 etot -7.7244E+01 mv 1 93 183 -43 0 + -1 e 1 11 etot 1.3528E+20 mv 6 94 27 78 0 + 4 e 97 402 etot -8.8861E+01 mv 0 93 158 0 0 c 158 0.5 0.0 + 4 e 301 392 etot -7.3303E+01 mv 1 93 144 64 0 + 4 e 405 366 etot -8.6307E+01 mv 1 93 188 -162 0 c 188 68.8 0.3 + 4 e 352 400 etot -7.7036E+01 mv 1 93 183 -182 0 + 4 e 387 373 etot -8.5146E+01 mv 1 93 57 -54 0 + 4 e 105 406 etot -8.7905E+01 mv 0 93 128 0 0 + -1 e 1 18 etot 1.3528E+20 mv 6 94 27 169 0 + 4 e 369 367 etot -7.8097E+01 mv 1 93 188 -153 0 + 4 e 17 415 etot -8.5922E+01 mv 0 93 57 0 0 c 57 0.0 0.0 + 4 e 74 416 etot -8.5861E+01 mv 0 93 39 0 0 + 4 e 169 398 etot -8.5726E+01 mv 1 93 183 40 0 + 4 e 118 404 etot -8.7692E+01 mv 0 93 109 0 0 c 109 0.5 0.0 + 4 e 34 418 etot -8.5860E+01 mv 0 93 168 0 0 c 168 0.0 0.0 + -1 e 1 26 etot 1.3528E+20 mv 6 94 189 127 0 + 4 e 378 378 etot -8.0066E+01 mv 1 93 39 -84 0 + 4 e 56 407 etot -8.6870E+01 mv 0 93 159 0 0 c 159 0.3 0.0 + -1 e 1 30 etot 1.6317E+20 mv 6 94 189 134 0 + -1 e 1 35 etot 1.3528E+20 mv 6 94 90 17 0 + 4 e 93 14 etot -8.7056E+01 mv 6 94 27 86 0 c 86 0.5 0.0 + -1 e 1 38 etot 1.3528E+20 mv 6 94 90 135 0 + 4 e 122 8 etot -5.7816E+01 mv 6 94 5 106 0 + 4 e 2 40 etot -9.0761E+01 mv 6 94 90 191 0 + 4 e 216 29 etot -8.7927E+01 mv 6 94 189 25 0 + 4 e 216 2 etot -8.8021E+01 mv 6 94 5 158 0 + 4 e 225 3 etot -8.1976E+01 mv 6 94 5 70 0 + 4 e 238 28 etot -8.7927E+01 mv 6 94 189 176 0 + -1 e 1 45 etot 1.3528E+20 mv 6 94 76 42 0 + 4 e 248 23 etot -8.7972E+01 mv 6 94 189 145 0 c 189 51.9 0.0 + -1 e 1 47 etot 1.3528E+20 mv 6 94 76 169 0 + 4 e 253 27 etot -8.7927E+01 mv 6 94 189 136 0 + 4 e 33 42 etot -8.5021E+01 mv 6 94 76 182 0 c 182 0.1 0.0 + 4 e 253 20 etot -9.2302E+01 mv 6 94 27 114 0 + 4 e 283 22 etot -8.2633E+01 mv 6 94 189 5 0 + 4 e 269 16 etot -9.0025E+01 mv 6 94 27 33 0 + 4 e 289 25 etot -8.7927E+01 mv 6 94 189 37 0 + 4 e 292 36 etot -8.0848E+01 mv 6 94 90 64 0 + 4 e 296 5 etot -6.9892E+01 mv 6 94 5 136 0 + 4 e 301 13 etot -8.2977E+01 mv 6 94 27 194 0 + 4 e 312 21 etot -8.7926E+01 mv 6 94 189 38 0 + 4 e 325 34 etot -8.7718E+01 mv 6 94 90 127 0 c 127 1.5 0.0 + -1 e 1 59 etot 1.3528E+20 mv 6 94 78 55 0 + 4 e 327 17 etot -8.5399E+01 mv 6 94 27 25 0 + -1 e 1 60 etot 1.3528E+20 mv 6 94 78 79 0 + -1 e 1 61 etot 1.3528E+20 mv 6 94 171 159 0 + 4 e 326 10 etot -8.6708E+01 mv 6 94 5 9 0 + 4 e 343 32 etot -8.6736E+01 mv 6 94 90 196 0 + 4 e 365 15 etot -9.0473E+01 mv 6 94 27 80 0 + 4 e 61 62 etot -9.0235E+01 mv 6 94 171 16 0 c 16 0.1 0.0 + -1 e 1 67 etot 1.3528E+20 mv 6 94 171 117 0 + 4 e 395 19 etot -9.1358E+01 mv 6 94 27 39 0 + 4 e 416 4 etot -8.5775E+01 mv 6 94 5 60 0 + 4 e 482 1 etot -8.4527E+01 mv 6 94 5 120 0 + 4 e 317 39 etot -8.8046E+01 mv 6 94 90 163 0 + 4 e 433 7 etot -8.5522E+01 mv 6 94 5 174 0 + 4 e 14 71 etot -9.0582E+01 mv 6 94 128 198 0 c 198 0.0 0.0 + -1 e 1 74 etot 1.3528E+20 mv 6 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+## N4 total= 0 close= 0 far= 0 %acc 0.0 +## N5 total= 0 close= 0 far= 0 %acc 0.0 +## N6 total= 200 close= 16 far= 1 %acc 8.5 +## N7 total= 0 close= 0 far= 0 %acc 0.0 +## N8 total= 0 close= 0 far= 0 %acc 0.0 +## N9 total= 0 close= 0 far= 0 %acc 0.0 +##N10 total= 0 close= 0 far= 0 %acc 0.0 +##N11 total= 0 close= 0 far= 0 %acc 0.0 +##N12 total= 0 close= 0 far= 0 %acc 0.0 +##N13 total= 0 close= 0 far= 0 %acc 0.0 +##N14 total= 0 close= 0 far= 0 %acc 0.0 +##N15 total= 0 close= 0 far= 0 %acc 0.0 +##N16 total= 0 close= 0 far= 0 %acc 0.0 +##N17 total= 0 close= 0 far= 0 %acc 0.0 +##N18 total= 0 close= 0 far= 0 %acc 0.0 + Time for refresh 95 0.39 + make_var : nseed= 20 ntry= 420 + Time for make trial 96 0.10 +Nonsetup time 200.53 sec, Eval/s = 58247.79 +Time for iter 96 2.00 sec, Eval/s = 60085.86 + UPDATING 420 + 4 e 106 412 etot -8.5852E+01 mv 0 94 41 0 0 c 41 1.3 0.0 + 4 e 475 382 etot -7.5442E+01 mv 1 94 175 -132 0 + 4 e 110 414 etot -8.6657E+01 mv 0 94 24 0 0 c 24 0.9 0.0 + 4 e 589 371 etot 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-194 0 + 4 e 443 389 etot -7.2322E+01 mv 1 94 56 -7 0 + 4 e 234 394 etot -8.3313E+01 mv 1 94 160 54 0 + 4 e 464 367 etot -8.6655E+01 mv 1 94 24 -104 0 + -1 e 1 19 etot 1.3528E+20 mv 6 95 189 128 0 + 4 e 71 419 etot -8.5844E+01 mv 0 94 160 0 0 + 4 e 654 352 etot -6.4879E+01 mv 1 94 119 117 0 + 4 e 489 363 etot -8.6336E+01 mv 1 94 170 -194 0 c 170 57.9 0.6 + 4 e 285 388 etot -8.5676E+01 mv 1 94 56 136 0 + 4 e 13 416 etot -8.5714E+01 mv 0 94 181 0 0 c 181 0.0 0.0 + -1 e 1 27 etot 1.3528E+20 mv 6 95 73 191 0 + 4 e 51 411 etot -8.6012E+01 mv 0 94 119 0 0 c 119 0.1 0.0 + 4 e 338 390 etot -8.5676E+01 mv 1 94 56 163 0 + 4 e 134 415 etot -8.5997E+01 mv 0 94 112 0 0 + -1 e 1 34 etot 1.3528E+20 mv 6 95 190 50 0 + -1 e 1 35 etot 1.3528E+20 mv 6 95 190 68 0 + 4 e 19 9 etot -8.5859E+01 mv 6 95 174 144 0 c 144 0.0 0.0 + 4 e 136 20 etot -8.8215E+01 mv 6 95 189 150 0 + 4 e 177 18 etot -8.7972E+01 mv 6 95 189 11 0 c 189 1.8 0.0 + 4 e 225 1 etot -8.9319E+01 mv 6 95 174 86 0 + 4 e 214 32 etot -8.6847E+01 mv 6 95 190 24 0 c 190 4.6 0.0 + -1 e 1 43 etot 1.3528E+20 mv 6 95 39 106 0 + 4 e 214 21 etot -8.9947E+01 mv 6 95 73 8 0 + 4 e 258 13 etot -8.6056E+01 mv 6 95 189 72 0 + 4 e 235 6 etot -8.9161E+01 mv 6 95 174 179 0 + 4 e 246 10 etot -8.6471E+01 mv 6 95 174 164 0 + 4 e 344 2 etot -8.3945E+01 mv 6 95 174 43 0 + 4 e 297 15 etot -7.9344E+01 mv 6 95 189 171 0 + 4 e 305 8 etot -8.5667E+01 mv 6 95 174 82 0 + 4 e 320 14 etot -8.3181E+01 mv 6 95 189 30 0 + 4 e 338 29 etot -7.5212E+01 mv 6 95 73 187 0 + 4 e 328 33 etot -8.6458E+01 mv 6 95 190 33 0 + 4 e 33 51 etot -8.5335E+01 mv 6 95 68 151 0 c 151 0.1 0.0 + 4 e 355 30 etot -9.1358E+01 mv 6 95 73 183 0 + 4 e 324 38 etot -8.1152E+01 mv 6 95 190 111 0 + 4 e 364 17 etot -8.2485E+01 mv 6 95 189 17 0 + 4 e 372 4 etot -8.9319E+01 mv 6 95 174 122 0 + 4 e 2 59 etot -9.0194E+01 mv 6 95 68 101 0 + 4 e 382 12 etot -7.8015E+01 mv 6 95 189 25 0 + 4 e 413 31 etot -8.5020E+01 mv 6 95 190 85 0 + 4 e 395 5 etot -9.0467E+01 mv 6 95 174 92 0 + 4 e 397 39 etot 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etot -7.9464E+01 mv 6 95 93 20 0 + 4 e 184 170 etot -7.1469E+01 mv 6 95 153 197 0 + 4 e 406 157 etot -7.5715E+01 mv 6 95 93 37 0 + 4 e 225 171 etot -8.7048E+01 mv 6 95 194 60 0 + 4 e 514 148 etot -7.9953E+01 mv 6 95 2 25 0 + 4 e 225 165 etot -8.5072E+01 mv 6 95 153 179 0 + 4 e 2 194 etot -8.5060E+01 mv 6 95 196 85 0 + 4 e 342 151 etot -7.4607E+01 mv 6 95 93 52 0 + 4 e 261 174 etot -8.3588E+01 mv 6 95 194 92 0 + 4 e 455 160 etot -8.5564E+01 mv 6 95 93 116 0 + 4 e 136 188 etot -9.0931E+01 mv 6 95 162 124 0 c 124 1.5 0.0 + 4 e 475 138 etot -7.3911E+01 mv 6 95 36 173 0 + 4 e 286 176 etot -8.5478E+01 mv 6 95 194 26 0 + 4 e 469 162 etot -8.6829E+01 mv 6 95 153 92 0 + 4 e 329 173 etot -8.5538E+01 mv 6 95 194 61 0 + -1 e 1 203 etot 1.3528E+20 mv 2 95 174 184 0 + 4 e 414 169 etot -9.2233E+01 mv 6 95 153 122 0 + 4 e 145 190 etot -8.5679E+01 mv 6 95 162 114 0 + 4 e 375 175 etot -8.2561E+01 mv 6 95 194 177 0 + 4 e 330 178 etot -8.6856E+01 mv 6 95 194 44 0 + 4 e 370 177 etot -7.8306E+01 mv 6 95 194 96 0 + 4 e 423 156 etot -7.8981E+01 mv 6 95 93 114 0 + 4 e 423 159 etot -7.7818E+01 mv 6 95 93 181 0 + 4 e 145 195 etot -8.0826E+01 mv 6 95 196 78 0 + 4 e 326 187 etot -6.4685E+01 mv 6 95 162 181 0 + 4 e 324 189 etot -7.6110E+01 mv 6 95 162 86 0 + 4 e 223 197 etot -8.6705E+01 mv 6 95 196 16 0 + 4 e 783 107 etot -8.3692E+01 mv 6 95 160 157 0 + 4 e 153 205 etot -8.9319E+01 mv 2 95 174 -101 0 + 4 e 571 146 etot -7.8505E+01 mv 6 95 2 59 0 + 4 e 227 199 etot -8.5450E+01 mv 6 95 196 146 0 + 4 e 381 186 etot -8.4471E+01 mv 6 95 162 8 0 + 4 e 332 192 etot -8.5449E+01 mv 6 95 196 16 0 + 4 e 463 180 etot -8.6177E+01 mv 6 95 194 175 0 + 4 e 285 181 etot -8.8110E+01 mv 6 95 162 97 0 + 4 e 305 183 etot -8.4973E+01 mv 6 95 162 145 0 + -1 e 1 224 etot 1.3528E+20 mv 2 95 39 64 0 + 4 e 513 158 etot -7.5455E+01 mv 6 95 93 150 0 + 4 e 323 193 etot -8.6417E+01 mv 6 95 196 149 0 + -1 e 1 227 etot 1.3528E+20 mv 2 95 68 -189 0 + 4 e 681 167 etot -8.6777E+01 mv 6 95 153 199 0 c 29 148.0 0.3 + 4 e 271 201 etot 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188 -118 0 + 4 e 551 217 etot -8.4859E+01 mv 2 95 190 117 0 + 4 e 571 214 etot -7.8896E+01 mv 2 95 73 -22 0 + 4 e 325 239 etot -7.1755E+01 mv 2 95 188 -190 0 + 4 e 216 243 etot -7.1525E+01 mv 2 95 14 49 0 + 4 e 214 252 etot -8.5924E+01 mv 2 95 160 184 0 c 160 1.8 0.0 + 4 e 265 234 etot -8.6291E+01 mv 2 95 112 26 0 + 4 e 278 247 etot -8.3571E+01 mv 2 95 10 -60 0 + 4 e 252 251 etot -8.5923E+01 mv 2 95 160 36 0 + 4 e 191 262 etot -7.4085E+01 mv 2 95 51 -82 0 + 4 e 216 248 etot -8.6260E+01 mv 2 95 10 -65 0 + 4 e 409 240 etot -7.6655E+01 mv 2 95 188 120 0 + -1 e 1 280 etot 1.7262E+20 mv 2 95 93 76 0 + -1 e 1 282 etot 1.3528E+20 mv 2 95 153 65 0 + 4 e 419 225 etot -8.2529E+01 mv 2 95 39 159 0 + 4 e 186 254 etot -8.5924E+01 mv 2 95 160 12 0 + 4 e 288 255 etot -7.1698E+01 mv 2 95 160 -70 0 + 4 e 507 211 etot -8.8526E+01 mv 2 95 73 -183 0 + 4 e 217 265 etot -8.5628E+01 mv 2 95 51 110 0 + 4 e 205 266 etot -8.5602E+01 mv 2 95 36 -179 0 + 4 e 129 277 etot -7.4282E+01 mv 2 95 93 192 0 + 4 e 179 270 etot -8.5603E+01 mv 2 95 36 -200 0 + 4 e 663 229 etot -8.7252E+01 mv 2 95 68 -48 0 + 4 e 304 263 etot -7.6483E+01 mv 2 95 51 128 0 + 4 e 370 258 etot -8.5089E+01 mv 2 95 94 -7 0 + 4 e 309 264 etot -8.0780E+01 mv 2 95 51 -1 0 + 4 e 197 275 etot -8.5600E+01 mv 2 95 2 -179 0 + 4 e 360 246 etot -7.6629E+01 mv 2 95 10 -56 0 + 4 e 271 271 etot -8.5600E+01 mv 2 95 2 161 0 + 4 e 283 273 etot -8.2316E+01 mv 2 95 2 59 0 + -1 e 1 299 etot 1.3528E+20 mv 2 95 196 -149 0 + 4 e 211 279 etot -8.5580E+01 mv 2 95 93 180 0 + 4 e 459 256 etot -7.8646E+01 mv 2 95 94 -65 0 + 4 e 362 268 etot -7.2736E+01 mv 2 95 36 -18 0 + 4 e 233 281 etot -8.8607E+01 mv 2 95 153 136 0 + -1 e 1 304 etot 1.3528E+20 mv 1 95 174 38 0 + 4 e 326 261 etot -8.3298E+01 mv 2 95 51 -124 0 + 4 e 199 291 etot -8.5485E+01 mv 2 95 162 -148 0 + 4 e 396 272 etot -8.1169E+01 mv 2 95 2 187 0 + 4 e 267 286 etot -8.4132E+01 mv 2 95 194 94 0 + 4 e 539 260 etot -8.4956E+01 mv 2 95 94 31 0 + 4 e 204 296 etot -8.5457E+01 mv 2 95 196 176 0 c 196 2.1 0.0 + 4 e 232 283 etot -8.5541E+01 mv 2 95 153 29 0 c 153 2.0 0.0 + 4 e 296 288 etot -6.8419E+01 mv 2 95 194 159 0 + 4 e 498 245 etot -7.9868E+01 mv 2 95 14 -139 0 + 4 e 202 298 etot -8.5457E+01 mv 2 95 196 -91 0 + 4 e 199 300 etot -8.5457E+01 mv 2 95 196 -103 0 c 196 1.3 0.0 + 4 e 447 278 etot -7.5089E+01 mv 2 95 93 -167 0 + 4 e 226 301 etot -8.9087E+01 mv 1 95 174 -51 0 + 4 e 211 303 etot -8.9319E+01 mv 1 95 174 102 0 + 4 e 372 293 etot -8.5485E+01 mv 2 95 162 67 0 + 4 e 399 290 etot -7.6030E+01 mv 2 95 194 -106 0 + 4 e 418 269 etot -8.5602E+01 mv 2 95 36 172 0 + -1 e 1 322 etot 1.3528E+20 mv 1 95 39 131 0 + 4 e 200 308 etot -8.7972E+01 mv 1 95 189 -105 0 + 4 e 206 310 etot -8.7972E+01 mv 1 95 189 179 0 + 4 e 428 292 etot -8.3487E+01 mv 2 95 162 -28 0 + 4 e 452 267 etot -8.2596E+01 mv 2 95 36 123 0 + 4 e 252 307 etot -8.8291E+01 mv 1 95 189 71 0 + 4 e 362 287 etot -8.4552E+01 mv 2 95 194 48 0 + 4 e 365 302 etot -8.6232E+01 mv 1 95 174 -145 0 + 4 e 530 289 etot -7.9779E+01 mv 2 95 194 -20 0 + 4 e 481 294 etot -8.2882E+01 mv 2 95 162 100 0 + 4 e 238 306 etot -8.7972E+01 mv 1 95 189 95 0 + 4 e 463 276 etot -8.4726E+01 mv 2 95 93 -102 0 + 4 e 259 315 etot -8.7969E+01 mv 1 95 73 77 0 + 4 e 251 316 etot -8.6847E+01 mv 1 95 190 127 0 + 4 e 517 295 etot -8.5628E+01 mv 2 95 162 -197 0 + -1 e 1 337 etot 1.3528E+20 mv 1 95 188 89 0 + 4 e 215 320 etot -8.6847E+01 mv 1 95 190 -144 0 + 4 e 465 305 etot -8.9317E+01 mv 1 95 174 -163 0 + 4 e 542 274 etot -7.5571E+01 mv 2 95 2 -127 0 + 4 e 708 250 etot -8.2089E+01 mv 2 95 10 107 0 + 4 e 374 313 etot -8.7080E+01 mv 1 95 73 133 0 + 4 e 514 284 etot -6.8047E+01 mv 2 95 153 115 0 + 4 e 360 317 etot -8.6847E+01 mv 1 95 190 96 0 + 4 e 294 314 etot -8.7135E+01 mv 1 95 73 -38 0 + 4 e 219 330 etot -9.0900E+01 mv 1 95 68 176 0 + 4 e 268 328 etot -8.9960E+01 mv 1 95 68 -119 0 + 4 e 384 318 etot -7.8535E+01 mv 1 95 190 95 0 + 4 e 348 324 etot -8.6269E+01 mv 1 95 39 170 0 + 4 e 567 309 etot -8.2136E+01 mv 1 95 189 -186 0 + 4 e 270 332 etot -8.6489E+01 mv 1 95 112 4 0 + 4 e 253 335 etot -8.6489E+01 mv 1 95 112 -33 0 + 4 e 244 329 etot -7.4609E+01 mv 1 95 68 -133 0 + 4 e 616 285 etot -8.1099E+01 mv 2 95 153 -77 0 + 4 e 218 333 etot -8.6490E+01 mv 1 95 112 4 0 + 4 e 322 338 etot -8.0532E+01 mv 1 95 188 -130 0 + 4 e 240 343 etot -8.6134E+01 mv 1 95 14 77 0 + 4 e 174 341 etot -8.6134E+01 mv 1 95 14 -172 0 + 4 e 209 345 etot -8.6134E+01 mv 1 95 14 139 0 + 4 e 191 348 etot -8.6260E+01 mv 1 95 10 78 0 + 4 e 311 339 etot -8.0957E+01 mv 1 95 188 -176 0 + 4 e 477 325 etot -8.6850E+01 mv 1 95 39 -163 0 + 4 e 364 336 etot -8.6714E+01 mv 1 95 188 -51 0 + 4 e 156 350 etot -8.6260E+01 mv 1 95 10 116 0 + 8 e 66 354 etot -6.3996E+01 mv 1 95 160 -150 0 + 4 e 328 327 etot -9.0082E+01 mv 1 95 68 37 0 + 4 e 676 311 etot -8.9384E+01 mv 1 95 73 49 0 + 4 e 163 346 etot -8.6260E+01 mv 1 95 10 34 0 + 4 e 219 349 etot -8.6470E+01 mv 1 95 10 -163 0 c 10 2.6 0.2 + 4 e 171 351 etot -8.5924E+01 mv 1 95 160 80 0 c 160 1.6 0.0 + -1 e 1 369 etot 1.3528E+20 mv 1 95 36 168 0 + 4 e 323 340 etot -8.6307E+01 mv 1 95 188 -138 0 + 4 e 548 321 etot -6.5691E+01 mv 1 95 39 140 0 + 4 e 622 297 etot -8.4663E+01 mv 2 95 196 -182 0 + 4 e 488 312 etot -7.5419E+01 mv 1 95 73 -49 0 + 4 e 537 326 etot -8.4593E+01 mv 1 95 68 1 0 + 4 e 250 342 etot -6.9642E+01 mv 1 95 14 -11 0 + -1 e 1 378 etot 1.3528E+20 mv 1 95 93 110 0 + 4 e 685 319 etot -8.0375E+01 mv 1 95 190 -153 0 + 4 e 441 323 etot -8.6617E+01 mv 1 95 39 66 0 + 4 e 133 363 etot -8.5629E+01 mv 1 95 51 -70 0 + 4 e 278 344 etot -8.5990E+01 mv 1 95 14 -138 0 + 4 e 577 331 etot -7.8913E+01 mv 1 95 112 -134 0 + 4 e 385 334 etot -8.3373E+01 mv 1 95 112 150 0 + 4 e 197 362 etot -7.4182E+01 mv 1 95 51 -55 0 + 4 e 312 352 etot -7.9447E+01 mv 1 95 160 -150 0 + 4 e 175 373 etot -8.4323E+01 mv 1 95 2 192 0 + 4 e 252 357 etot -7.8573E+01 mv 1 95 94 -107 0 + 4 e 120 380 etot -6.0559E+01 mv 1 95 93 -8 0 + 4 e 262 361 etot -7.6049E+01 mv 1 95 51 -170 0 + 4 e 171 366 etot -8.5603E+01 mv 1 95 36 108 0 + -1 e 1 392 etot 5.5791E+20 mv 1 95 162 114 0 + 4 e 293 360 etot -8.4789E+01 mv 1 95 94 108 0 + 4 e 279 364 etot -7.6482E+01 mv 1 95 51 -47 0 + 4 e 244 370 etot -7.1055E+01 mv 1 95 36 -100 0 + 4 e 163 372 etot -8.5600E+01 mv 1 95 2 193 0 + 4 e 491 347 etot -6.5293E+01 mv 1 95 10 -167 0 + 4 e 231 377 etot -8.5446E+01 mv 1 95 93 -136 0 + 4 e 293 368 etot -8.6820E+01 mv 1 95 36 148 0 c 36 66.0 1.2 + -1 e 1 400 etot 1.3528E+20 mv 1 95 196 -113 0 + 4 e 271 374 etot -8.5600E+01 mv 1 95 2 112 0 + 4 e 14 401 etot -8.9319E+01 mv 0 95 174 0 0 c 174 0.0 0.0 + 4 e 310 371 etot -8.4438E+01 mv 1 95 2 -142 0 + 4 e 450 353 etot -7.5000E+01 mv 1 95 160 -88 0 + 4 e 317 355 etot -7.5428E+01 mv 1 95 160 -106 0 + 4 e 13 406 etot -9.0901E+01 mv 0 95 68 0 0 c 68 0.0 0.0 + 4 e 199 387 etot -8.1747E+01 mv 1 95 194 2 0 + 4 e 298 359 etot -8.5376E+01 mv 1 95 94 149 0 + 4 e 146 395 etot -6.9281E+01 mv 1 95 162 -39 0 + 4 e 260 375 etot -7.3616E+01 mv 1 95 2 -174 0 + 4 e 104 402 etot -8.7973E+01 mv 0 95 189 0 0 c 189 0.9 0.0 + 4 e 16 410 etot -8.6260E+01 mv 0 95 10 0 0 + 4 e 238 386 etot -8.5539E+01 mv 1 95 194 -22 0 + 4 e 10 414 etot -8.5603E+01 mv 0 95 36 0 0 + 4 e 124 403 etot -8.7970E+01 mv 0 95 73 0 0 c 73 1.1 0.0 + 4 e 10 415 etot -8.5600E+01 mv 0 95 2 0 0 c 2 0.0 0.0 + 4 e 280 384 etot -8.5160E+01 mv 1 95 153 174 0 + 4 e 25 413 etot -8.5629E+01 mv 0 95 51 0 0 c 51 0.0 0.0 + 4 e 204 391 etot -8.5485E+01 mv 1 95 162 88 0 +## N0 total= 20 close= 14 far= 0 %acc 70.0 +## N1 total= 100 close= 5 far= 0 %acc 5.0 +## N2 total= 100 close= 7 far= 0 %acc 7.0 +## N3 total= 0 close= 0 far= 0 %acc 0.0 +## N4 total= 0 close= 0 far= 0 %acc 0.0 +## N5 total= 0 close= 0 far= 0 %acc 0.0 +## N6 total= 200 close= 14 far= 1 %acc 7.5 +## N7 total= 0 close= 0 far= 0 %acc 0.0 +## N8 total= 0 close= 0 far= 0 %acc 0.0 +## N9 total= 0 close= 0 far= 0 %acc 0.0 +##N10 total= 0 close= 0 far= 0 %acc 0.0 +##N11 total= 0 close= 0 far= 0 %acc 0.0 +##N12 total= 0 close= 0 far= 0 %acc 0.0 +##N13 total= 0 close= 0 far= 0 %acc 0.0 +##N14 total= 0 close= 0 far= 0 %acc 0.0 +##N15 total= 0 close= 0 far= 0 %acc 0.0 +##N16 total= 0 close= 0 far= 0 %acc 0.0 +##N17 total= 0 close= 0 far= 0 %acc 0.0 +##N18 total= 0 close= 0 far= 0 %acc 0.0 + Time for refresh 96 0.27 + make_var : nseed= 20 ntry= 420 + Time for make trial 97 0.07 +Nonsetup time 202.38 sec, Eval/s = 58328.48 +Time for iter 97 1.85 sec, Eval/s = 67084.99 + UPDATING 420 + 4 e 445 365 etot -8.2435E+01 mv 1 95 51 -63 0 + 4 e 277 396 etot -8.5457E+01 mv 1 95 196 166 0 + 4 e 112 417 etot -8.5542E+01 mv 0 95 153 0 0 c 153 1.1 0.0 + 4 e 168 404 etot -8.6847E+01 mv 0 95 190 0 0 + 4 e 202 398 etot -8.5450E+01 mv 1 95 196 41 0 + 4 e 477 388 etot -7.5356E+01 mv 1 95 194 181 0 + 4 e 131 408 etot -8.6309E+01 mv 0 95 188 0 0 + 4 e 289 399 etot -8.5456E+01 mv 1 95 196 94 0 + 4 e 505 389 etot -8.4121E+01 mv 1 95 194 157 0 + 4 e 129 412 etot -8.5676E+01 mv 0 95 94 0 0 c 94 0.4 0.0 + 4 e 22 418 etot -8.5539E+01 mv 0 95 194 0 0 c 194 0.0 0.0 + 4 e 111 416 etot -8.5581E+01 mv 0 95 93 0 0 c 93 1.0 0.0 + -1 e 1 4 etot 1.3528E+20 mv 6 96 77 200 0 + -1 e 1 6 etot 1.3528E+20 mv 6 96 77 147 0 + 4 e 517 405 etot -8.6849E+01 mv 0 95 39 0 0 + 4 e 309 390 etot -8.5538E+01 mv 1 95 194 -28 0 + 4 e 189 394 etot -8.5630E+01 mv 1 95 162 119 0 + 4 e 121 420 etot -8.5457E+01 mv 0 95 196 0 0 c 196 0.8 0.0 + 4 e 337 382 etot -7.5047E+01 mv 1 95 153 -92 0 + 4 e 16 419 etot -8.5485E+01 mv 0 95 162 0 0 c 162 0.0 0.0 + 4 e 519 358 etot -8.5010E+01 mv 1 95 94 193 0 + 4 e 319 385 etot -8.4038E+01 mv 1 95 153 -21 0 + 4 e 321 367 etot -8.3007E+01 mv 1 95 36 -8 0 + 4 e 80 411 etot -8.5924E+01 mv 0 95 160 0 0 c 160 0.8 0.0 + 4 e 325 376 etot -8.5580E+01 mv 1 95 93 5 0 + 4 e 407 379 etot -8.5580E+01 mv 1 95 93 -165 0 + 4 e 326 393 etot -8.4989E+01 mv 1 95 162 124 0 + 4 e 343 397 etot -8.4460E+01 mv 1 95 196 76 0 + 4 e 242 383 etot -8.5541E+01 mv 1 95 153 72 0 + -1 e 1 23 etot 1.3528E+20 mv 6 96 53 78 0 + 4 e 54 409 etot -8.6134E+01 mv 0 95 14 0 0 c 14 0.2 0.0 + 4 e 260 381 etot -8.5541E+01 mv 1 95 153 -26 0 + 4 e 447 356 etot -8.5420E+01 mv 1 95 94 114 0 + 4 e 150 407 etot -8.6490E+01 mv 0 95 112 0 0 c 112 0.9 0.0 + 4 e 28 24 etot -8.7813E+01 mv 6 96 53 155 0 c 155 0.0 0.0 + 4 e 98 18 etot -8.7478E+01 mv 6 96 190 1 0 c 1 0.4 0.0 + 4 e 99 32 etot -8.6470E+01 mv 6 96 39 10 0 c 10 0.7 0.0 + 4 e 197 16 etot -8.8317E+01 mv 6 96 190 156 0 + 4 e 231 12 etot -7.9962E+01 mv 6 96 190 4 0 + 4 e 227 5 etot -8.7380E+01 mv 6 96 77 20 0 + 4 e 241 20 etot -8.6525E+01 mv 6 96 190 58 0 + 4 e 239 11 etot -7.4464E+01 mv 6 96 190 77 0 + 4 e 265 30 etot -8.7482E+01 mv 6 96 53 64 0 + -1 e 1 43 etot 1.3528E+20 mv 6 96 36 16 0 + 4 e 312 1 etot -8.5076E+01 mv 6 96 77 47 0 + -1 e 1 45 etot 1.3528E+20 mv 6 96 36 96 0 + 4 e 272 25 etot -7.4133E+01 mv 6 96 53 186 0 + 4 e 10 44 etot -8.7303E+01 mv 6 96 36 64 0 c 64 0.0 0.0 + 4 e 265 14 etot -8.5479E+01 mv 6 96 190 196 0 + 4 e 328 15 etot -8.8336E+01 mv 6 96 190 57 0 + 4 e 309 8 etot -8.6014E+01 mv 6 96 77 25 0 c 41 177.4 0.2 + 4 e 318 29 etot -8.8222E+01 mv 6 96 53 126 0 + 4 e 313 21 etot -8.4781E+01 mv 6 96 53 68 0 + 4 e 454 3 etot -7.5062E+01 mv 6 96 77 197 0 + 4 e 363 28 etot -8.6484E+01 mv 6 96 53 132 0 + 4 e 349 7 etot -8.2180E+01 mv 6 96 77 101 0 + 4 e 329 17 etot -7.5181E+01 mv 6 96 190 167 0 + 4 e 371 31 etot -8.6851E+01 mv 6 96 39 13 0 c 39 2.4 0.0 + 4 e 198 46 etot -7.9415E+01 mv 6 96 36 99 0 + 4 e 415 22 etot -7.7606E+01 mv 6 96 53 134 0 + 4 e 536 2 etot -8.9124E+01 mv 6 96 77 121 0 + -1 e 1 61 etot 1.3528E+20 mv 6 96 188 172 0 + 4 e 403 27 etot -8.5326E+01 mv 6 96 53 63 0 + 4 e 413 9 etot -7.5734E+01 mv 6 96 77 112 0 + -1 e 1 64 etot 1.3528E+20 mv 6 96 188 5 0 + 4 e 284 37 etot -8.0232E+01 mv 6 96 39 58 0 + 4 e 440 34 etot -7.8770E+01 mv 6 96 39 122 0 + 4 e 59 58 etot -8.8216E+01 mv 6 96 29 150 0 + 4 e 136 54 etot -7.9509E+01 mv 6 96 29 174 0 + 4 e 457 26 etot -9.0234E+01 mv 6 96 53 63 0 + 4 e 477 19 etot -8.2556E+01 mv 6 96 190 104 0 + 4 e 532 13 etot -8.7716E+01 mv 6 96 190 67 0 + 4 e 184 53 etot -8.6780E+01 mv 6 96 29 117 0 c 29 4.1 0.0 + 4 e 305 40 etot -8.6986E+01 mv 6 96 39 133 0 + 4 e 219 47 etot -7.9133E+01 mv 6 96 36 97 0 + 4 e 246 42 etot -7.0390E+01 mv 6 96 36 98 0 + 4 e 282 39 etot -8.8968E+01 mv 6 96 39 163 0 + 4 e 221 56 etot -8.7779E+01 mv 6 96 29 158 0 + -1 e 1 78 etot 1.3528E+20 mv 6 96 107 97 0 + 4 e 496 36 etot -8.0872E+01 mv 6 96 39 74 0 + 4 e 333 49 etot -8.6617E+01 mv 6 96 36 174 0 + 4 e 379 38 etot -8.4397E+01 mv 6 96 39 150 0 + 4 e 398 41 etot -8.5559E+01 mv 6 96 36 39 0 + -1 e 1 83 etot 1.3528E+20 mv 6 96 170 151 0 + 4 e 222 55 etot -7.7098E+01 mv 6 96 29 38 0 + 4 e 299 50 etot -8.5834E+01 mv 6 96 36 114 0 + 4 e 245 57 etot -8.3670E+01 mv 6 96 29 122 0 + -1 e 1 87 etot 1.3528E+20 mv 6 96 170 37 0 + 4 e 292 51 etot -8.5072E+01 mv 6 96 29 139 0 + 4 e 98 80 etot -8.6715E+01 mv 6 96 107 188 0 c 188 1.0 0.0 + 4 e 589 10 etot -8.6495E+01 mv 6 96 77 135 0 + 4 e 565 33 etot -7.5805E+01 mv 6 96 39 146 0 + 4 e 613 35 etot -8.7139E+01 mv 6 96 39 133 0 + 4 e 232 65 etot -8.4823E+01 mv 6 96 188 147 0 + 4 e 223 74 etot -8.5424E+01 mv 6 96 107 69 0 + 4 e 377 59 etot -8.6257E+01 mv 6 96 29 115 0 + 4 e 366 62 etot -7.6105E+01 mv 6 96 188 91 0 + 4 e 402 48 etot -8.4386E+01 mv 6 96 36 164 0 + 4 e 333 71 etot -8.1713E+01 mv 6 96 107 41 0 + 4 e 137 85 etot -6.9275E+01 mv 6 96 170 77 0 + 4 e 419 69 etot -7.5002E+01 mv 6 96 188 96 0 + 4 e 235 84 etot -8.1667E+01 mv 6 96 170 97 0 + 4 e 255 68 etot -8.5883E+01 mv 6 96 188 162 0 + 4 e 337 79 etot -8.3415E+01 mv 6 96 107 144 0 + 4 e 350 77 etot -8.5739E+01 mv 6 96 107 191 0 + 4 e 261 86 etot -7.7007E+01 mv 6 96 170 162 0 + -1 e 1 106 etot 1.3528E+20 mv 6 96 10 15 0 + 4 e 309 67 etot -8.5388E+01 mv 6 96 188 62 0 + 4 e 173 96 etot -7.4457E+01 mv 6 96 110 48 0 + 4 e 330 66 etot -8.5388E+01 mv 6 96 188 60 0 + 4 e 389 60 etot -8.6554E+01 mv 6 96 29 3 0 + 4 e 323 70 etot -7.9677E+01 mv 6 96 188 81 0 + 4 e 152 99 etot -6.8954E+01 mv 6 96 110 154 0 + -1 e 1 113 etot 1.3528E+20 mv 6 96 71 74 0 + 4 e 370 82 etot -8.4526E+01 mv 6 96 170 171 0 + 4 e 479 72 etot -8.8887E+01 mv 6 96 107 127 0 + 4 e 251 94 etot -8.6457E+01 mv 6 96 110 140 0 + 4 e 430 76 etot -8.9073E+01 mv 6 96 107 60 0 + 4 e 370 90 etot -8.2690E+01 mv 6 96 170 63 0 + -1 e 1 119 etot 1.3528E+20 mv 6 96 71 85 0 + 4 e 196 102 etot -8.6470E+01 mv 6 96 10 6 0 + 4 e 407 88 etot -7.9892E+01 mv 6 96 170 66 0 + 4 e 390 89 etot -8.5387E+01 mv 6 96 170 32 0 + 4 e 566 52 etot -7.4969E+01 mv 6 96 29 81 0 + 4 e 364 75 etot -8.1582E+01 mv 6 96 107 17 0 + 4 e 536 81 etot -8.5551E+01 mv 6 96 170 64 0 f 40 322.7 0.6 + 4 e 294 101 etot -8.5468E+01 mv 6 96 10 89 0 + 4 e 518 63 etot -8.1777E+01 mv 6 96 188 197 0 + 4 e 465 95 etot -7.7925E+01 mv 6 96 110 172 0 + 4 e 249 100 etot -8.6333E+01 mv 6 96 110 156 0 + 4 e 154 120 etot -5.8590E+01 mv 6 96 71 105 0 + -1 e 1 130 etot 1.3528E+20 mv 6 96 161 143 0 + 4 e 232 116 etot -8.6165E+01 mv 6 96 71 139 0 + 4 e 259 115 etot -8.3887E+01 mv 6 96 71 85 0 + 4 e 462 97 etot -8.5198E+01 mv 6 96 110 131 0 + 4 e 331 104 etot -8.6297E+01 mv 6 96 10 156 0 + 4 e 213 118 etot -7.3599E+01 mv 6 96 71 109 0 + 4 e 522 91 etot -8.3908E+01 mv 6 96 110 70 0 + 4 e 190 112 etot -8.8147E+01 mv 6 96 71 69 0 + 4 e 306 114 etot -6.8510E+01 mv 6 96 71 170 0 + 4 e 331 98 etot -8.2930E+01 mv 6 96 110 172 0 + 4 e 770 73 etot -8.3228E+01 mv 6 96 107 74 0 + 4 e 381 93 etot -9.1814E+01 mv 6 96 110 8 0 + 4 e 360 105 etot -8.0094E+01 mv 6 96 10 141 0 + 4 e 300 117 etot -7.3498E+01 mv 6 96 71 120 0 + 4 e 244 108 etot -8.6470E+01 mv 6 96 10 91 0 + 4 e 306 103 etot -8.6538E+01 mv 6 96 10 163 0 + 4 e 439 109 etot -8.7910E+01 mv 6 96 10 70 0 + 4 e 330 121 etot -8.5517E+01 mv 6 96 161 136 0 + 4 e 185 135 etot -8.4749E+01 mv 6 96 26 104 0 + 4 e 175 136 etot -8.5734E+01 mv 6 96 26 79 0 c 26 37.9 0.2 + 4 e 503 107 etot -8.1612E+01 mv 6 96 10 187 0 + 4 e 185 137 etot -7.3459E+01 mv 6 96 26 167 0 + 4 e 218 134 etot -8.4748E+01 mv 6 96 26 34 0 + 4 e 389 122 etot -7.6577E+01 mv 6 96 161 147 0 + 4 e 175 132 etot -8.2282E+01 mv 6 96 26 190 0 + 4 e 388 123 etot -8.8433E+01 mv 6 96 161 105 0 + 4 e 200 142 etot -8.5560E+01 mv 6 96 165 149 0 + -1 e 1 157 etot 1.3528E+20 mv 6 96 43 101 0 + -1 e 1 159 etot 1.3528E+20 mv 6 96 43 6 0 + -1 e 1 160 etot 1.3528E+20 mv 6 96 43 25 0 + 4 e 66 150 etot -8.7692E+01 mv 6 96 165 109 0 c 109 0.2 0.0 + 4 e 332 110 etot -8.6469E+01 mv 6 96 10 60 0 + 4 e 336 127 etot -8.0116E+01 mv 6 96 161 119 0 + -1 e 1 164 etot 1.3528E+20 mv 6 96 28 48 0 + -1 e 1 165 etot 2.3965E+27 mv 6 96 28 163 0 + 4 e 507 92 etot -8.1267E+01 mv 6 96 110 66 0 + -1 e 1 167 etot 1.3528E+20 mv 6 96 28 74 0 + 4 e 198 139 etot -8.5581E+01 mv 6 96 26 100 0 + 4 e 295 138 etot -8.7083E+01 mv 6 96 26 133 0 + 4 e 255 128 etot -8.3004E+01 mv 6 96 161 103 0 + 4 e 275 145 etot -8.1910E+01 mv 6 96 165 23 0 + 4 e 331 124 etot -8.2081E+01 mv 6 96 161 175 0 + 4 e 462 126 etot -8.6004E+01 mv 6 96 161 174 0 c 161 61.0 0.1 + 4 e 416 129 etot -8.2600E+01 mv 6 96 161 130 0 + 4 e 412 133 etot -8.3171E+01 mv 6 96 26 7 0 + 4 e 401 140 etot -8.0095E+01 mv 6 96 26 125 0 + 4 e 294 149 etot -8.2399E+01 mv 6 96 165 90 0 + 4 e 265 151 etot -8.6083E+01 mv 6 96 43 182 0 + 4 e 422 144 etot -8.3450E+01 mv 6 96 165 79 0 + 4 e 504 131 etot -8.8147E+01 mv 6 96 26 63 0 + 4 e 256 161 etot -6.7992E+01 mv 6 96 28 12 0 + 4 e 336 155 etot -8.1212E+01 mv 6 96 43 198 0 + 4 e 295 162 etot -8.5441E+01 mv 6 96 28 134 0 + -1 e 1 184 etot 1.3528E+20 mv 6 96 157 70 0 + 4 e 234 170 etot -7.3082E+01 mv 6 96 28 167 0 + 4 e 414 148 etot -8.9789E+01 mv 6 96 165 89 0 + 4 e 188 175 etot -6.6431E+01 mv 6 96 147 127 0 + 4 e 379 152 etot -7.7713E+01 mv 6 96 43 186 0 + -1 e 1 189 etot 1.3528E+20 mv 6 96 157 120 0 + 4 e 443 125 etot -8.8124E+01 mv 6 96 161 42 0 + 4 e 373 143 etot -8.6083E+01 mv 6 96 165 19 0 + -1 e 1 192 etot 1.3528E+20 mv 6 96 166 180 0 + 4 e 329 158 etot -8.5480E+01 mv 6 96 43 134 0 + 4 e 262 156 etot -8.3379E+01 mv 6 96 43 194 0 + 4 e 413 154 etot -7.6656E+01 mv 6 96 43 130 0 + 4 e 313 172 etot -7.7204E+01 mv 6 96 147 76 0 + 4 e 377 166 etot -8.3376E+01 mv 6 96 28 122 0 + 4 e 269 163 etot -8.5160E+01 mv 6 96 28 179 0 + 4 e 423 141 etot -8.5559E+01 mv 6 96 165 177 0 + 4 e 572 111 etot -8.0336E+01 mv 6 96 71 97 0 + 4 e 235 169 etot -8.1271E+01 mv 6 96 28 113 0 + 4 e 124 185 etot -8.6372E+01 mv 6 96 157 31 0 + 4 e 296 176 etot -8.0623E+01 mv 6 96 147 186 0 + 4 e 488 153 etot -8.3387E+01 mv 6 96 43 70 0 + 4 e 279 179 etot -7.6692E+01 mv 6 96 147 16 0 + 4 e 388 174 etot -8.6985E+01 mv 6 96 147 49 0 + 4 e 268 181 etot -8.5400E+01 mv 6 96 157 178 0 + 4 e 337 177 etot -7.9172E+01 mv 6 96 147 127 0 + 4 e 420 146 etot -8.0321E+01 mv 6 96 165 198 0 + 4 e 335 178 etot -8.1917E+01 mv 6 96 147 30 0 + 4 e 224 188 etot -8.5178E+01 mv 6 96 157 86 0 + 4 e 245 187 etot -8.4428E+01 mv 6 96 157 104 0 + 4 e 353 168 etot -8.1481E+01 mv 6 96 28 105 0 + 4 e 306 182 etot -8.6371E+01 mv 6 96 157 147 0 + 4 e 424 147 etot -8.6325E+01 mv 6 96 165 13 0 + 4 e 187 198 etot -7.2748E+01 mv 6 96 166 45 0 + 4 e 344 173 etot -8.1911E+01 mv 6 96 147 86 0 + 4 e 279 190 etot -7.7892E+01 mv 6 96 157 89 0 + 4 e 286 194 etot -8.5804E+01 mv 6 96 166 124 0 + 4 e 383 171 etot -8.1501E+01 mv 6 96 147 52 0 + 4 e 201 204 etot -7.1889E+01 mv 2 96 77 14 0 + 4 e 252 197 etot -7.9048E+01 mv 6 96 166 167 0 + 4 e 440 180 etot -8.3261E+01 mv 6 96 147 65 0 + 4 e 284 196 etot -8.4414E+01 mv 6 96 166 129 0 + 4 e 374 186 etot -8.4619E+01 mv 6 96 157 81 0 + 4 e 433 183 etot -8.4143E+01 mv 6 96 157 183 0 + 4 e 332 203 etot -8.4352E+01 mv 2 96 77 -134 0 + 4 e 284 206 etot -8.8336E+01 mv 2 96 190 -144 0 + 4 e 340 205 etot -7.5373E+01 mv 2 96 77 89 0 + 4 e 270 208 etot -8.8679E+01 mv 2 96 190 158 0 c 190 101.9 0.3 + 4 e 260 209 etot -6.1593E+01 mv 2 96 190 -153 0 + 4 e 295 207 etot -7.4940E+01 mv 2 96 190 5 0 + 4 e 234 215 etot -8.7780E+01 mv 2 96 53 -80 0 c 53 3.6 0.0 + 4 e 194 210 etot -8.8337E+01 mv 2 96 190 -64 0 + 4 e 297 199 etot -7.3338E+01 mv 6 96 166 26 0 + 4 e 234 220 etot -8.6851E+01 mv 2 96 39 62 0 c 39 3.0 0.0 + 4 e 161 226 etot -8.6780E+01 mv 2 96 29 -42 0 c 29 1.0 0.0 + 4 e 340 212 etot -8.2898E+01 mv 2 96 53 -72 0 + 4 e 307 219 etot -8.6829E+01 mv 2 96 39 119 0 + 4 e 273 223 etot -8.4098E+01 mv 2 96 36 -114 0 + 4 e 402 211 etot -7.9667E+01 mv 2 96 53 -63 0 + 4 e 270 225 etot -7.2683E+01 mv 2 96 36 132 0 + 4 e 204 228 etot -8.6322E+01 mv 2 96 29 49 0 + 4 e 233 221 etot -8.4098E+01 mv 2 96 36 126 0 + 4 e 280 218 etot -8.6851E+01 mv 2 96 39 73 0 + 4 e 315 214 etot -8.0141E+01 mv 2 96 53 -158 0 + 4 e 488 213 etot -8.3182E+01 mv 2 96 53 -76 0 + 4 e 451 202 etot -7.5373E+01 mv 2 96 77 45 0 + 4 e 272 231 etot -8.6714E+01 mv 2 96 188 111 0 + 4 e 383 224 etot -7.8427E+01 mv 2 96 36 -31 0 + 4 e 137 243 etot -7.2844E+01 mv 2 96 170 4 0 + 4 e 159 240 etot -8.8067E+01 mv 2 96 107 64 0 c 107 3.1 0.0 + 4 e 488 217 etot -7.2925E+01 mv 2 96 39 -89 0 + 4 e 303 233 etot -8.5867E+01 mv 2 96 188 93 0 + 4 e 462 222 etot -7.0236E+01 mv 2 96 36 -115 0 + 4 e 431 201 etot -8.1198E+01 mv 2 96 77 121 0 + -1 e 1 257 etot 1.3528E+20 mv 2 96 71 -146 0 + -1 e 1 258 etot 1.3528E+20 mv 2 96 71 42 0 + 4 e 549 193 etot -8.5364E+01 mv 6 96 166 67 0 + 4 e 357 230 etot -8.6780E+01 mv 2 96 29 -97 0 + -1 e 1 261 etot 1.3528E+20 mv 2 96 161 143 0 + 4 e 499 200 etot -7.5127E+01 mv 6 96 166 177 0 + 4 e 414 227 etot -8.5807E+01 mv 2 96 29 188 0 + 4 e 550 195 etot -8.0292E+01 mv 6 96 166 192 0 + 4 e 407 232 etot -6.5381E+01 mv 2 96 188 -196 0 + 4 e 330 239 etot -8.8322E+01 mv 2 96 107 118 0 c 107 70.4 0.3 + 4 e 455 229 etot -8.7459E+01 mv 2 96 29 147 0 c 55 32.8 0.0 + 4 e 173 251 etot -8.6470E+01 mv 2 96 10 -180 0 + 4 e 157 253 etot -8.6172E+01 mv 2 96 10 136 0 + 4 e 322 241 etot -7.8517E+01 mv 2 96 170 56 0 + 4 e 279 236 etot -8.5337E+01 mv 2 96 107 -85 0 + 4 e 202 250 etot -7.4466E+01 mv 2 96 110 -178 0 + 4 e 398 237 etot -7.7436E+01 mv 2 96 107 -74 0 + 4 e 274 244 etot -7.2234E+01 mv 2 96 170 96 0 + 4 e 152 262 etot -6.2498E+01 mv 2 96 161 130 0 + 4 e 192 247 etot -6.2204E+01 mv 2 96 110 -108 0 + 4 e 252 248 etot -8.3577E+01 mv 2 96 110 -93 0 + 4 e 514 234 etot -7.5576E+01 mv 2 96 188 -128 0 + 4 e 223 255 etot -8.6470E+01 mv 2 96 10 176 0 + 4 e 230 245 etot -8.6337E+01 mv 2 96 170 -77 0 c 170 4.1 0.0 + 4 e 135 266 etot -8.5581E+01 mv 2 96 26 189 0 + 4 e 139 260 etot -8.6165E+01 mv 2 96 71 -106 0 + 4 e 238 256 etot -8.2688E+01 mv 2 96 71 -65 0 + -1 e 1 284 etot 1.3528E+20 mv 2 96 28 -193 0 + 4 e 222 267 etot -8.1948E+01 mv 2 96 26 -110 0 + 4 e 212 269 etot -8.5581E+01 mv 2 96 26 -60 0 + 4 e 582 238 etot -7.8489E+01 mv 2 96 107 -124 0 + 4 e 550 242 etot -8.7601E+01 mv 2 96 170 68 0 + 4 e 261 270 etot -7.3259E+01 mv 2 96 26 125 0 + 4 e 269 259 etot -8.5834E+01 mv 2 96 71 168 0 + 4 e 339 264 etot -7.5588E+01 mv 2 96 161 -164 0 + 4 e 188 280 etot -7.6959E+01 mv 2 96 43 60 0 + 4 e 265 273 etot -7.8643E+01 mv 2 96 165 -16 0 + 4 e 265 271 etot -8.5559E+01 mv 2 96 165 135 0 + 4 e 761 191 etot -8.0310E+01 mv 6 96 166 186 0 + 4 e 225 276 etot -7.3545E+01 mv 2 96 43 131 0 + 4 e 192 285 etot -8.5443E+01 mv 2 96 28 42 0 + 4 e 674 216 etot -8.1990E+01 mv 2 96 39 51 0 + 4 e 483 252 etot -8.5789E+01 mv 2 96 10 149 0 + 4 e 295 274 etot -7.6832E+01 mv 2 96 165 -163 0 + 4 e 333 268 etot -7.8097E+01 mv 2 96 26 -70 0 + 4 e 284 282 etot -6.7712E+01 mv 2 96 28 -81 0 + 4 e 544 235 etot -7.3860E+01 mv 2 96 188 -129 0 + 4 e 302 278 etot -8.3749E+01 mv 2 96 43 -132 0 + 4 e 205 277 etot -8.5481E+01 mv 2 96 43 90 0 + 4 e 193 286 etot -8.5415E+01 mv 2 96 147 197 0 + -1 e 1 307 etot 1.3528E+20 mv 1 96 190 134 0 + 4 e 370 275 etot -7.6912E+01 mv 2 96 165 -40 0 + 4 e 180 293 etot -8.5401E+01 mv 2 96 157 -24 0 + 4 e 174 295 etot -8.5401E+01 mv 2 96 157 53 0 + 4 e 355 265 etot -7.6843E+01 mv 2 96 161 -180 0 + 4 e 386 279 etot -8.0094E+01 mv 2 96 43 99 0 + 4 e 246 287 etot -7.8082E+01 mv 2 96 147 97 0 + 4 e 203 298 etot -8.5805E+01 mv 2 96 166 -173 0 + 4 e 651 254 etot -8.6467E+01 mv 2 96 10 -120 0 + 4 e 190 302 etot -8.9668E+01 mv 1 96 77 190 0 c 77 27.1 0.5 + 4 e 261 292 etot -7.8581E+01 mv 2 96 157 -119 0 + 4 e 212 301 etot -8.9126E+01 mv 1 96 77 -93 0 + 4 e 324 283 etot -8.5442E+01 mv 2 96 28 -129 0 + 4 e 522 249 etot -8.1781E+01 mv 2 96 110 48 0 + 4 e 227 305 etot -8.9126E+01 mv 1 96 77 -35 0 + 4 e 201 308 etot -8.8336E+01 mv 1 96 190 109 0 + 4 e 361 288 etot -7.6591E+01 mv 2 96 147 37 0 + 4 e 242 303 etot -8.6720E+01 mv 1 96 77 -187 0 + 4 e 415 272 etot -8.5558E+01 mv 2 96 165 105 0 + 4 e 376 289 etot -8.3398E+01 mv 2 96 147 156 0 + 4 e 391 290 etot -8.3396E+01 mv 2 96 147 -160 0 + 4 e 507 263 etot -8.3784E+01 mv 2 96 161 41 0 + 4 e 356 300 etot -8.2889E+01 mv 2 96 166 -83 0 + 4 e 245 310 etot -8.8336E+01 mv 1 96 190 -142 0 + 4 e 432 281 etot -7.3836E+01 mv 2 96 28 -124 0 + 4 e 675 246 etot -7.9727E+01 mv 2 96 110 -158 0 + 4 e 332 311 etot -8.5158E+01 mv 1 96 53 -159 0 + 4 e 286 316 etot -6.7725E+01 mv 1 96 39 103 0 + 4 e 272 318 etot -8.6089E+01 mv 1 96 39 27 0 + 4 e 345 313 etot -9.0029E+01 mv 1 96 53 190 0 + 4 e 541 297 etot -8.5802E+01 mv 2 96 166 -14 0 + 4 e 343 304 etot -7.5631E+01 mv 1 96 77 114 0 + 4 e 261 323 etot -7.0827E+01 mv 1 96 36 -12 0 + 4 e 253 325 etot -8.6820E+01 mv 1 96 36 78 0 + 4 e 274 306 etot -8.8336E+01 mv 1 96 190 139 0 + 4 e 423 314 etot -8.8291E+01 mv 1 96 53 88 0 + 4 e 213 330 etot -8.6780E+01 mv 1 96 29 30 0 + 4 e 355 319 etot -8.2560E+01 mv 1 96 39 83 0 + 4 e 291 324 etot -8.6820E+01 mv 1 96 36 90 0 + 4 e 225 331 etot -8.5174E+01 mv 1 96 188 -197 0 + 4 e 686 294 etot -7.8388E+01 mv 2 96 157 -101 0 + 4 e 301 328 etot -7.4722E+01 mv 1 96 29 59 0 + 4 e 476 315 etot -8.3183E+01 mv 1 96 53 186 0 + 4 e 347 312 etot -8.6040E+01 mv 1 96 53 5 0 + 4 e 200 335 etot -8.6715E+01 mv 1 96 188 99 0 + 4 e 610 309 etot -8.7637E+01 mv 1 96 190 -67 0 + 4 e 179 338 etot -8.8067E+01 mv 1 96 107 109 0 + 4 e 498 317 etot -8.6850E+01 mv 1 96 39 72 0 + 4 e 292 321 etot -8.6818E+01 mv 1 96 36 80 0 + 4 e 239 336 etot -8.8067E+01 mv 1 96 107 -113 0 + 4 e 445 322 etot -7.1020E+01 mv 1 96 36 -37 0 + 4 e 254 329 etot -8.5585E+01 mv 1 96 29 -173 0 + -1 e 1 359 etot 1.3528E+20 mv 1 96 71 -177 0 + 4 e 249 337 etot -8.7915E+01 mv 1 96 107 -128 0 + 4 e 208 333 etot -8.6715E+01 mv 1 96 188 194 0 + 4 e 305 334 etot -7.5144E+01 mv 1 96 188 -165 0 + 4 e 188 345 etot -8.6337E+01 mv 1 96 170 -68 0 c 170 1.2 0.0 + 4 e 587 291 etot -8.4851E+01 mv 2 96 157 145 0 + 4 e 476 327 etot -8.3451E+01 mv 1 96 29 195 0 + 4 e 268 340 etot -8.8067E+01 mv 1 96 107 -49 0 + 4 e 586 296 etot -8.1355E+01 mv 2 96 166 -40 0 + 4 e 267 343 etot -8.6337E+01 mv 1 96 170 77 0 + 4 e 335 332 etot -7.3624E+01 mv 1 96 188 73 0 + 4 e 237 348 etot -8.6457E+01 mv 1 96 110 118 0 + 4 e 224 339 etot -8.8067E+01 mv 1 96 107 131 0 + 4 e 300 347 etot -8.4576E+01 mv 1 96 110 10 0 + 4 e 366 341 etot -8.6336E+01 mv 1 96 170 -152 0 + 4 e 282 349 etot -8.4029E+01 mv 1 96 110 45 0 + 4 e 655 299 etot -8.1064E+01 mv 2 96 166 -167 0 + 4 e 343 346 etot -8.3526E+01 mv 1 96 110 126 0 + 4 e 270 355 etot -8.6469E+01 mv 1 96 10 17 0 + 4 e 301 342 etot -8.6337E+01 mv 1 96 170 154 0 + 4 e 311 353 etot -8.4741E+01 mv 1 96 10 51 0 + 4 e 521 320 etot -8.6088E+01 mv 1 96 39 -157 0 + 4 e 489 326 etot -8.0468E+01 mv 1 96 29 -196 0 + 4 e 264 351 etot -8.6469E+01 mv 1 96 10 199 0 + 4 e 144 368 etot -8.5581E+01 mv 1 96 26 149 0 + 4 e 473 344 etot -7.4342E+01 mv 1 96 170 81 0 + 4 e 349 354 etot -7.7954E+01 mv 1 96 10 -23 0 + 4 e 206 360 etot -8.6165E+01 mv 1 96 71 18 0 + 4 e 133 370 etot -8.5581E+01 mv 1 96 26 19 0 + 4 e 160 374 etot -6.1156E+01 mv 1 96 165 -70 0 + 4 e 321 363 etot -8.7449E+01 mv 1 96 161 123 0 + 4 e 344 364 etot -8.5919E+01 mv 1 96 161 -31 0 + 4 e 390 361 etot -8.5920E+01 mv 1 96 161 29 0 + 4 e 419 358 etot -7.6039E+01 mv 1 96 71 -158 0 + 4 e 385 366 etot -7.3909E+01 mv 1 96 26 -86 0 + 4 e 316 371 etot -8.6962E+01 mv 1 96 165 31 0 + 4 e 548 350 etot -8.4751E+01 mv 1 96 110 -161 0 + 4 e 220 378 etot -8.5481E+01 mv 1 96 43 81 0 + -1 e 1 397 etot 1.3528E+20 mv 1 96 166 -155 0 + 4 e 555 352 etot -8.3901E+01 mv 1 96 10 -37 0 + 4 e 219 380 etot -8.5481E+01 mv 1 96 43 -15 0 + 4 e 413 367 etot -8.0853E+01 mv 1 96 26 -200 0 + 4 e 10 401 etot -8.9126E+01 mv 0 96 77 0 0 + 4 e 375 356 etot -8.6165E+01 mv 1 96 71 24 0 + 4 e 200 389 etot -8.5009E+01 mv 1 96 147 166 0 + 4 e 366 375 etot -8.5559E+01 mv 1 96 165 36 0 + 4 e 328 377 etot -7.3092E+01 mv 1 96 43 -137 0 + 4 e 451 369 etot -8.7005E+01 mv 1 96 26 36 0 + 4 e 598 357 etot -7.8920E+01 mv 1 96 71 9 0 + 4 e 287 385 etot -8.4230E+01 mv 1 96 28 188 0 + 4 e 286 386 etot -8.5414E+01 mv 1 96 147 16 0 + 4 e 431 373 etot -8.5558E+01 mv 1 96 165 -62 0 + 4 e 423 362 etot -7.1703E+01 mv 1 96 161 182 0 + 4 e 226 381 etot -8.5443E+01 mv 1 96 28 -116 0 + 4 e 193 394 etot -8.4853E+01 mv 1 96 157 -35 0 + 4 e 15 412 etot -8.6165E+01 mv 0 96 71 0 0 c 71 0.0 0.0 + 4 e 341 372 etot -8.2857E+01 mv 1 96 165 146 0 + 4 e 16 414 etot -8.5581E+01 mv 0 96 26 0 0 + 4 e 131 402 etot -8.8337E+01 mv 0 96 190 0 0 + 4 e 2 418 etot -8.5415E+01 mv 0 96 147 0 0 + 4 e 15 417 etot -8.5443E+01 mv 0 96 28 0 0 c 28 0.0 0.0 +## N0 total= 18 close= 11 far= 0 %acc 61.1 +## N1 total= 102 close= 2 far= 0 %acc 2.0 +## N2 total= 100 close= 8 far= 0 %acc 8.0 +## N3 total= 0 close= 0 far= 0 %acc 0.0 +## N4 total= 0 close= 0 far= 0 %acc 0.0 +## N5 total= 0 close= 0 far= 0 %acc 0.0 +## N6 total= 200 close= 11 far= 1 %acc 6.0 +## N7 total= 0 close= 0 far= 0 %acc 0.0 +## N8 total= 0 close= 0 far= 0 %acc 0.0 +## N9 total= 0 close= 0 far= 0 %acc 0.0 +##N10 total= 0 close= 0 far= 0 %acc 0.0 +##N11 total= 0 close= 0 far= 0 %acc 0.0 +##N12 total= 0 close= 0 far= 0 %acc 0.0 +##N13 total= 0 close= 0 far= 0 %acc 0.0 +##N14 total= 0 close= 0 far= 0 %acc 0.0 +##N15 total= 0 close= 0 far= 0 %acc 0.0 +##N16 total= 0 close= 0 far= 0 %acc 0.0 +##N17 total= 0 close= 0 far= 0 %acc 0.0 +##N18 total= 0 close= 0 far= 0 %acc 0.0 + Time for refresh 97 0.32 + make_var : nseed= 20 ntry= 420 + Time for make trial 98 0.05 +Nonsetup time 204.26 sec, Eval/s = 58388.74 +Time for iter 98 1.88 sec, Eval/s = 64866.26 + UPDATING 420 + 4 e 243 393 etot -8.4852E+01 mv 1 96 157 103 0 + 4 e 180 400 etot -8.5805E+01 mv 1 96 166 194 0 + 4 e 716 399 etot -8.5132E+01 mv 1 96 166 -111 0 + 4 e 255 396 etot -8.2687E+01 mv 1 96 166 -85 0 + 4 e 22 419 etot -8.5401E+01 mv 0 96 157 0 0 c 157 0.0 0.0 + 4 e 99 411 etot -8.6470E+01 mv 0 96 10 0 0 + 4 e 269 398 etot -8.4725E+01 mv 1 96 166 -75 0 + 4 e 284 392 etot -7.6965E+01 mv 1 96 157 1 0 + 4 e 449 390 etot -8.5412E+01 mv 1 96 147 -59 0 + 4 e 121 406 etot -8.6780E+01 mv 0 96 29 0 0 + 4 e 55 410 etot -8.6458E+01 mv 0 96 110 0 0 c 110 0.1 0.0 + 4 e 98 407 etot -8.6715E+01 mv 0 96 188 0 0 + 4 e 98 405 etot -8.6820E+01 mv 0 96 36 0 0 c 36 0.9 0.0 + 4 e 160 409 etot -8.6338E+01 mv 0 96 170 0 0 c 170 1.7 0.0 + 4 e 141 408 etot -8.8067E+01 mv 0 96 107 0 0 + 4 e 212 395 etot -8.5401E+01 mv 1 96 157 19 0 + 4 e 154 404 etot -8.6851E+01 mv 0 96 39 0 0 c 39 1.1 0.0 + 4 e 10 420 etot -8.5805E+01 mv 0 96 166 0 0 c 166 0.0 0.0 + 4 e 553 391 etot -8.1722E+01 mv 1 96 157 -43 0 + 4 e 415 365 etot -8.5920E+01 mv 1 96 161 102 0 + 4 e 300 387 etot -8.5208E+01 mv 1 96 147 -31 0 + 4 e 369 413 etot -8.5919E+01 mv 0 96 161 0 0 + 4 e 380 384 etot -8.0881E+01 mv 1 96 28 84 0 + 4 e 181 403 etot -8.7780E+01 mv 0 96 53 0 0 c 53 1.1 0.0 + 4 e 339 388 etot -8.3399E+01 mv 1 96 147 -126 0 + 4 e 532 383 etot -7.6319E+01 mv 1 96 28 -150 0 + -1 e 1 20 etot 1.3528E+20 mv 6 97 77 25 0 + 4 e 56 415 etot -8.5561E+01 mv 0 96 165 0 0 c 165 0.3 0.0 + 4 e 371 376 etot -8.5479E+01 mv 1 96 43 17 0 + 4 e 358 382 etot -8.4504E+01 mv 1 96 28 -44 0 + 4 e 346 379 etot -8.0819E+01 mv 1 96 43 -152 0 + 4 e 34 416 etot -8.5481E+01 mv 0 96 43 0 0 c 43 0.1 0.0 + -1 e 1 32 etot 1.3528E+20 mv 6 97 123 47 0 + -1 e 1 2 etot 1.3528E+20 mv 6 97 169 37 0 + 4 e 12 5 etot -8.5539E+01 mv 6 97 169 194 0 c 194 0.0 0.0 + 4 e 207 23 etot -7.8367E+01 mv 6 97 190 186 0 + 4 e 197 14 etot -8.9668E+01 mv 6 97 77 109 0 + 4 e 199 7 etot -8.5196E+01 mv 6 97 169 68 0 + 4 e 208 13 etot -8.9668E+01 mv 6 97 77 41 0 + 4 e 226 27 etot -6.8633E+01 mv 6 97 190 34 0 + 4 e 216 28 etot -7.9376E+01 mv 6 97 190 14 0 + -1 e 1 41 etot 1.3528E+20 mv 6 97 55 34 0 + 4 e 227 10 etot -8.8740E+01 mv 6 97 169 136 0 + 4 e 242 6 etot -7.7501E+01 mv 6 97 169 110 0 + 4 e 259 1 etot -8.5664E+01 mv 6 97 169 29 0 + 4 e 263 25 etot -7.5196E+01 mv 6 97 190 24 0 + 4 e 262 17 etot -7.4348E+01 mv 6 97 77 173 0 + -1 e 1 47 etot 1.3528E+20 mv 6 97 55 98 0 + 4 e 274 34 etot -8.7647E+01 mv 6 97 123 10 0 + 4 e 286 26 etot -8.7705E+01 mv 6 97 190 106 0 + 4 e 296 19 etot -8.2800E+01 mv 6 97 77 98 0 + 4 e 276 33 etot -8.8819E+01 mv 6 97 123 163 0 + -1 e 1 52 etot 1.3528E+20 mv 6 97 184 104 0 + 8 e 2 51 etot -6.3990E+01 mv 6 97 184 167 0 + 4 e 348 15 etot -7.6032E+01 mv 6 97 77 140 0 + 4 e 358 16 etot -8.9125E+01 mv 6 97 77 75 0 + 4 e 376 24 etot -8.4726E+01 mv 6 97 190 42 0 + 4 e 350 35 etot -8.5959E+01 mv 6 97 123 93 0 + 4 e 380 18 etot -8.2855E+01 mv 6 97 77 170 0 + 4 e 419 12 etot -8.7808E+01 mv 6 97 77 152 0 + 4 e 482 3 etot -8.4693E+01 mv 6 97 169 31 0 + 4 e 401 29 etot -7.9647E+01 mv 6 97 190 99 0 + -1 e 1 62 etot 5.7842E+22 mv 6 97 41 129 0 + 4 e 220 43 etot -8.5458E+01 mv 6 97 55 42 0 + 4 e 467 21 etot -8.7704E+01 mv 6 97 190 119 0 + 4 e 333 45 etot -7.0948E+01 mv 6 97 55 80 0 + 4 e 496 8 etot -7.2610E+01 mv 6 97 169 31 0 + 4 e 227 46 etot -7.5572E+01 mv 6 97 55 96 0 + 4 e 553 9 etot -7.9492E+01 mv 6 97 169 43 0 + 4 e 549 11 etot -8.4373E+01 mv 6 97 77 131 0 + 4 e 361 49 etot -8.6497E+01 mv 6 97 55 9 0 + 4 e 378 39 etot -8.7356E+01 mv 6 97 123 185 0 + 4 e 536 31 etot -9.1398E+01 mv 6 97 123 133 0 + 4 e 265 55 etot -7.2770E+01 mv 6 97 184 180 0 + 4 e 185 60 etot -8.5401E+01 mv 6 97 184 31 0 + 4 e 324 42 etot -8.7565E+01 mv 6 97 55 161 0 + 4 e 431 37 etot -9.1399E+01 mv 6 97 123 30 0 + 4 e 208 53 etot -8.9247E+01 mv 6 97 184 42 0 + 4 e 331 36 etot -8.9099E+01 mv 6 97 123 18 0 + 4 e 192 56 etot -8.6274E+01 mv 6 97 184 148 0 + 4 e 283 50 etot -7.8981E+01 mv 6 97 55 147 0 + 4 e 572 4 etot -8.7298E+01 mv 6 97 169 148 0 + 4 e 343 40 etot -9.1400E+01 mv 6 97 123 140 0 + -1 e 1 83 etot 1.3528E+20 mv 6 97 26 105 0 + 4 e 335 48 etot -8.8682E+01 mv 6 97 55 145 0 c 23 32.8 0.1 + 4 e 128 74 etot -7.0693E+01 mv 6 97 161 87 0 + 4 e 322 61 etot -8.5102E+01 mv 6 97 41 58 0 + -1 e 1 87 etot 1.3528E+20 mv 6 97 26 140 0 + -1 e 1 88 etot 1.3528E+20 mv 6 97 26 104 0 + 4 e 630 22 etot -8.1472E+01 mv 6 97 190 102 0 + 4 e 439 38 etot -8.1768E+01 mv 6 97 123 32 0 + 4 e 667 30 etot -8.5361E+01 mv 6 97 190 177 0 + 4 e 333 54 etot -8.4142E+01 mv 6 97 184 121 0 + 4 e 296 66 etot -7.4526E+01 mv 6 97 41 184 0 + 4 e 297 59 etot -8.1507E+01 mv 6 97 184 100 0 + 4 e 286 70 etot -8.6014E+01 mv 6 97 41 109 0 + 4 e 144 85 etot -8.3772E+01 mv 6 97 26 129 0 + 4 e 379 64 etot -8.5672E+01 mv 6 97 41 65 0 + 4 e 133 84 etot -7.9980E+01 mv 6 97 26 20 0 + 4 e 333 69 etot -7.7321E+01 mv 6 97 41 97 0 + 4 e 341 72 etot -6.8479E+01 mv 6 97 161 192 0 + 4 e 378 57 etot -8.3283E+01 mv 6 97 184 77 0 + 4 e 346 71 etot -7.7966E+01 mv 6 97 161 188 0 + 4 e 238 68 etot -8.6014E+01 mv 6 97 41 86 0 + 4 e 194 89 etot -8.5734E+01 mv 6 97 26 176 0 c 26 1.8 0.0 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8 0 + 4 e 393 81 etot -7.5221E+01 mv 6 97 26 79 0 + 4 e 298 103 etot -7.6733E+01 mv 6 97 152 172 0 + 4 e 326 100 etot -8.5148E+01 mv 6 97 177 134 0 + 4 e 482 93 etot -8.1061E+01 mv 6 97 177 47 0 + 4 e 457 95 etot -8.3805E+01 mv 6 97 177 149 0 + 4 e 485 94 etot -8.9174E+01 mv 6 97 177 59 0 + 4 e 407 79 etot -8.3356E+01 mv 6 97 161 7 0 + 4 e 225 112 etot -8.5121E+01 mv 6 97 40 27 0 + 4 e 430 96 etot -8.9174E+01 mv 6 97 177 44 0 + 4 e 336 107 etot -8.5668E+01 mv 6 97 152 66 0 c 152 1.7 0.0 + 4 e 169 120 etot -8.5021E+01 mv 6 97 40 182 0 + 4 e 145 116 etot -8.4038E+01 mv 6 97 40 53 0 + -1 e 1 138 etot 1.3528E+20 mv 6 97 96 149 0 + -1 e 1 139 etot 1.3528E+20 mv 6 97 96 17 0 + 4 e 323 110 etot -7.8377E+01 mv 6 97 152 44 0 + 4 e 34 137 etot -8.5481E+01 mv 6 97 96 43 0 + 4 e 474 98 etot -8.2333E+01 mv 6 97 177 159 0 + 4 e 288 113 etot -7.9021E+01 mv 6 97 40 84 0 + 4 e 273 115 etot -8.6036E+01 mv 6 97 40 31 0 + 4 e 2 145 etot -9.0235E+01 mv 6 97 151 6 0 + 4 e 335 102 etot -8.5668E+01 mv 6 97 152 43 0 c 152 3.2 0.0 + -1 e 1 147 etot 1.8091E+27 mv 6 97 151 109 0 + 4 e 320 104 etot -7.6524E+01 mv 6 97 152 185 0 + 4 e 646 91 etot -7.9623E+01 mv 6 97 177 154 0 + 4 e 336 114 etot -8.4361E+01 mv 6 97 40 81 0 + 4 e 184 136 etot -7.2941E+01 mv 6 97 96 38 0 + 4 e 190 124 etot -8.4563E+01 mv 6 97 22 158 0 + 4 e 522 108 etot -8.1693E+01 mv 6 97 152 148 0 + 4 e 222 132 etot -8.4834E+01 mv 6 97 96 56 0 + 4 e 211 134 etot -6.9633E+01 mv 6 97 96 34 0 + -1 e 1 156 etot 1.3528E+20 mv 6 97 126 67 0 + 4 e 253 130 etot -8.1701E+01 mv 6 97 22 85 0 + 4 e 394 117 etot -8.4144E+01 mv 6 97 40 77 0 + 4 e 318 129 etot -8.7055E+01 mv 6 97 22 86 0 + 4 e 262 131 etot -8.1434E+01 mv 6 97 96 9 0 + 4 e 193 142 etot -8.6118E+01 mv 6 97 151 132 0 c 151 29.3 0.8 + 4 e 569 109 etot -8.2897E+01 mv 6 97 152 5 0 + -1 e 1 163 etot 1.3528E+20 mv 6 97 48 53 0 + 4 e 251 126 etot -6.6897E+01 mv 6 97 22 51 0 + 4 e 332 111 etot -9.0286E+01 mv 6 97 40 119 0 + -1 e 1 166 etot 1.3528E+20 mv 6 97 48 69 0 + 4 e 226 143 etot -8.4766E+01 mv 6 97 151 52 0 + -1 e 1 168 etot 1.3528E+20 mv 6 97 48 182 0 + -1 e 1 169 etot 1.3528E+20 mv 6 97 48 132 0 + 4 e 236 146 etot -8.0217E+01 mv 6 97 151 118 0 + -1 e 1 171 etot 1.3528E+20 mv 6 97 21 200 0 + 4 e 12 172 etot -8.6812E+01 mv 6 97 21 34 0 c 34 0.0 0.0 + 4 e 202 150 etot -8.5334E+01 mv 6 97 151 90 0 + 4 e 315 118 etot -7.8212E+01 mv 6 97 40 87 0 + 4 e 337 122 etot -7.5518E+01 mv 6 97 22 140 0 + 4 e 438 128 etot -8.2448E+01 mv 6 97 22 119 0 + 4 e 330 141 etot -7.8454E+01 mv 6 97 151 157 0 + 4 e 308 144 etot -8.6396E+01 mv 6 97 151 159 0 + 4 e 396 135 etot -9.0215E+01 mv 6 97 96 35 0 + 4 e 553 125 etot -8.4358E+01 mv 6 97 22 128 0 + 4 e 243 154 etot -8.9071E+01 mv 6 97 126 95 0 c 126 4.3 0.0 + 4 e 369 127 etot -7.4890E+01 mv 6 97 22 151 0 + -1 e 1 183 etot 3.3455E+20 mv 6 97 180 197 0 + 4 e 13 184 etot -8.6191E+01 mv 6 97 180 84 0 c 84 0.0 0.0 + 4 e 271 149 etot -8.6396E+01 mv 6 97 151 14 0 + 4 e 254 160 etot -8.7812E+01 mv 6 97 126 155 0 + 4 e 309 157 etot -8.9071E+01 mv 6 97 126 136 0 + 4 e 250 170 etot -8.3718E+01 mv 6 97 48 87 0 + 4 e 610 99 etot -9.0611E+01 mv 6 97 177 76 0 + 4 e 339 158 etot -9.0781E+01 mv 6 97 126 144 0 + 4 e 352 155 etot -8.6163E+01 mv 6 97 126 45 0 + -1 e 1 192 etot 1.3528E+20 mv 6 97 173 48 0 + 4 e 383 159 etot -8.9832E+01 mv 6 97 126 21 0 c 126 73.7 0.8 + 4 e 250 177 etot -8.6808E+01 mv 6 97 21 127 0 + 4 e 260 178 etot -7.2964E+01 mv 6 97 21 183 0 + 4 e 485 151 etot -8.6545E+01 mv 6 97 126 70 0 + 4 e 260 179 etot -7.5886E+01 mv 6 97 21 31 0 + 4 e 228 167 etot -7.5771E+01 mv 6 97 48 44 0 + 4 e 339 174 etot -7.4935E+01 mv 6 97 21 162 0 + 4 e 400 162 etot -8.6985E+01 mv 6 97 48 119 0 + 4 e 169 187 etot -7.1198E+01 mv 6 97 180 31 0 + 4 e 241 181 etot -8.5270E+01 mv 6 97 180 152 0 + -1 e 1 203 etot 1.3528E+20 mv 2 97 169 -9 0 + 4 e 392 148 etot -7.1070E+01 mv 6 97 151 108 0 + 4 e 504 123 etot -8.8585E+01 mv 6 97 22 66 0 + 4 e 522 152 etot -8.9196E+01 mv 6 97 126 194 0 + 4 e 238 176 etot -8.9602E+01 mv 6 97 21 83 0 + 4 e 456 164 etot -8.4532E+01 mv 6 97 48 73 0 + 4 e 323 153 etot -8.9838E+01 mv 6 97 126 159 0 c 126 67.1 0.0 + 4 e 317 165 etot -8.7294E+01 mv 6 97 48 91 0 c 48 6.3 0.0 + 4 e 502 161 etot -8.5347E+01 mv 6 97 48 175 0 + 4 e 478 133 etot -8.0382E+01 mv 6 97 96 54 0 + 4 e 271 189 etot -7.9892E+01 mv 6 97 180 198 0 + 4 e 499 140 etot -8.5377E+01 mv 6 97 96 148 0 + 4 e 284 191 etot -7.3799E+01 mv 6 97 173 79 0 + 4 e 225 200 etot -8.5302E+01 mv 6 97 173 161 0 + 4 e 212 204 etot -8.5196E+01 mv 2 97 169 97 0 + 4 e 305 186 etot -8.0576E+01 mv 6 97 180 179 0 + 4 e 498 182 etot -7.7396E+01 mv 6 97 180 162 0 + 4 e 317 197 etot -8.5894E+01 mv 6 97 173 177 0 + 4 e 256 207 etot -7.9610E+01 mv 2 97 77 -139 0 + 4 e 328 196 etot -8.5400E+01 mv 6 97 173 157 0 + 4 e 546 180 etot -8.2578E+01 mv 6 97 21 28 0 + -1 e 1 223 etot 1.3528E+20 mv 2 97 55 -86 0 + 4 e 381 194 etot -9.1338E+01 mv 6 97 173 27 0 + 4 e 678 173 etot -8.9685E+01 mv 6 97 21 64 0 + 4 e 428 193 etot -7.9737E+01 mv 6 97 173 112 0 + 4 e 222 205 etot -8.5196E+01 mv 2 97 169 -80 0 + 4 e 343 201 etot -8.5195E+01 mv 2 97 169 25 0 + 4 e 194 210 etot -8.9668E+01 mv 2 97 77 197 0 + -1 e 1 231 etot 1.3528E+20 mv 2 97 41 -55 0 + 4 e 328 209 etot -7.6237E+01 mv 2 97 77 -135 0 + 4 e 393 185 etot -8.3423E+01 mv 6 97 180 173 0 + 4 e 417 198 etot -7.6581E+01 mv 6 97 173 30 0 + 4 e 264 199 etot -7.5251E+01 mv 6 97 173 88 0 + 4 e 397 202 etot -7.8247E+01 mv 2 97 169 58 0 + 4 e 283 216 etot -8.5554E+01 mv 2 97 123 -160 0 + 4 e 529 195 etot -8.2391E+01 mv 6 97 173 126 0 + 4 e 552 175 etot -8.8778E+01 mv 6 97 21 10 0 + 4 e 186 222 etot -8.5508E+01 mv 2 97 55 -108 0 + 4 e 307 208 etot -7.8778E+01 mv 2 97 77 190 0 + 4 e 264 218 etot -8.7538E+01 mv 2 97 123 -110 0 + 4 e 299 211 etot -8.6200E+01 mv 2 97 190 -195 0 + 4 e 162 230 etot -8.6571E+01 mv 2 97 184 53 0 + 4 e 208 227 etot -8.6274E+01 mv 2 97 184 82 0 + 4 e 690 188 etot -7.8411E+01 mv 6 97 180 47 0 + 4 e 390 214 etot -8.1159E+01 mv 2 97 190 -46 0 + 4 e 329 213 etot -7.9699E+01 mv 2 97 190 -164 0 + 4 e 281 215 etot -8.5240E+01 mv 2 97 190 120 0 + 4 e 351 220 etot -8.9542E+01 mv 2 97 123 121 0 + 4 e 167 234 etot -8.6015E+01 mv 2 97 41 -3 0 c 41 1.9 0.0 + 4 e 151 243 etot -8.5734E+01 mv 2 97 26 1 0 c 26 0.4 0.0 + 4 e 338 228 etot -7.8385E+01 mv 2 97 184 -160 0 + 4 e 387 221 etot -8.8082E+01 mv 2 97 55 -28 0 + 4 e 231 241 etot -8.4744E+01 mv 2 97 26 -80 0 + 4 e 318 237 etot -8.6005E+01 mv 2 97 161 9 0 + -1 e 1 257 etot 1.3528E+20 mv 2 97 40 66 0 + 4 e 659 212 etot -7.5343E+01 mv 2 97 190 178 0 + 4 e 221 236 etot -8.6005E+01 mv 2 97 161 -99 0 + 4 e 367 233 etot -8.6014E+01 mv 2 97 41 129 0 + 4 e 450 206 etot -8.9666E+01 mv 2 97 77 -88 0 + 4 e 178 244 etot -7.5089E+01 mv 2 97 26 -56 0 + 4 e 283 229 etot -7.6162E+01 mv 2 97 184 34 0 + 4 e 545 217 etot -8.9497E+01 mv 2 97 123 -170 0 + 4 e 223 247 etot -8.5712E+01 mv 2 97 177 71 0 + 4 e 464 226 etot -8.6570E+01 mv 2 97 184 -46 0 + 4 e 197 248 etot -8.5712E+01 mv 2 97 177 79 0 + 4 e 132 250 etot -8.5712E+01 mv 2 97 177 -123 0 c 177 1.0 0.0 + 4 e 312 232 etot -7.6105E+01 mv 2 97 41 192 0 + 4 e 643 190 etot -7.3514E+01 mv 6 97 180 83 0 + 4 e 570 225 etot -8.2000E+01 mv 2 97 55 40 0 + 4 e 277 242 etot -6.9591E+01 mv 2 97 26 -186 0 + 4 e 248 251 etot -8.0801E+01 mv 2 97 152 89 0 + 4 e 593 224 etot -8.6066E+01 mv 2 97 55 -1 0 + 4 e 224 258 etot -7.3753E+01 mv 2 97 40 -112 0 + 4 e 224 261 etot -8.5383E+01 mv 2 97 22 35 0 c 22 4.0 0.0 + 4 e 199 267 etot -6.7888E+01 mv 2 97 96 -104 0 + 4 e 469 245 etot -7.9841E+01 mv 2 97 26 -186 0 + 4 e 167 260 etot -8.4074E+01 mv 2 97 40 -176 0 + 4 e 444 246 etot -8.5710E+01 mv 2 97 177 34 0 + 4 e 241 265 etot -8.5383E+01 mv 2 97 22 120 0 + 4 e 260 266 etot -8.2270E+01 mv 2 97 96 -97 0 + 4 e 403 254 etot -8.3659E+01 mv 2 97 152 72 0 + 4 e 601 238 etot -7.9023E+01 mv 2 97 161 -76 0 + 4 e 166 271 etot -8.5335E+01 mv 2 97 151 -126 0 + 4 e 697 235 etot -8.3045E+01 mv 2 97 41 -152 0 + -1 e 1 287 etot 1.3528E+20 mv 2 97 21 197 0 + 4 e 223 264 etot -7.9935E+01 mv 2 97 22 84 0 + 4 e 186 275 etot -8.5335E+01 mv 2 97 151 90 0 + 4 e 619 239 etot -8.1427E+01 mv 2 97 161 -81 0 + 4 e 566 219 etot -8.8556E+01 mv 2 97 123 55 0 + 4 e 337 252 etot -8.5669E+01 mv 2 97 152 -24 0 c 152 3.1 0.0 + 4 e 234 269 etot -6.9831E+01 mv 2 97 96 23 0 + 4 e 374 249 etot -7.4226E+01 mv 2 97 177 69 0 + 4 e 455 256 etot -7.7836E+01 mv 2 97 40 200 0 + 4 e 483 255 etot -8.0744E+01 mv 2 97 152 -171 0 + 4 e 193 279 etot -6.7895E+01 mv 2 97 126 -115 0 + 4 e 202 273 etot -8.4775E+01 mv 2 97 151 77 0 + 4 e 291 263 etot -8.5383E+01 mv 2 97 22 104 0 + 4 e 392 268 etot -7.8021E+01 mv 2 97 96 -197 0 + 4 e 159 280 etot -8.9071E+01 mv 2 97 126 -123 0 + -1 e 1 302 etot 1.3528E+20 mv 1 97 169 161 0 + 4 e 593 253 etot -8.0513E+01 mv 2 97 152 -79 0 + 4 e 187 285 etot -8.7296E+01 mv 2 97 48 -20 0 c 48 3.1 0.0 + 4 e 545 240 etot -8.8478E+01 mv 2 97 161 -9 0 c 161 72.7 0.2 + 4 e 402 272 etot -7.9127E+01 mv 2 97 151 168 0 + 4 e 274 281 etot -7.6711E+01 mv 2 97 48 -116 0 + 4 e 337 276 etot -8.3646E+01 mv 2 97 126 -64 0 + 4 e 403 274 etot -7.7763E+01 mv 2 97 151 118 0 + 4 e 267 282 etot -7.2990E+01 mv 2 97 48 -159 0 + 4 e 309 284 etot -7.2690E+01 mv 2 97 48 -191 0 + 4 e 197 293 etot -7.1812E+01 mv 2 97 180 -19 0 + 4 e 217 301 etot -8.4878E+01 mv 1 97 169 -44 0 + 4 e 704 259 etot -8.4145E+01 mv 2 97 40 18 0 + -1 e 1 314 etot 1.3528E+20 mv 1 97 190 -117 0 + 4 e 393 283 etot -8.7235E+01 mv 2 97 48 38 0 + 4 e 285 297 etot -7.5251E+01 mv 2 97 173 -36 0 + 4 e 266 298 etot -7.2500E+01 mv 2 97 173 -134 0 + 4 e 354 290 etot -7.3443E+01 mv 2 97 21 -187 0 + 4 e 357 291 etot -7.6968E+01 mv 2 97 180 179 0 + -1 e 1 320 etot 1.3528E+20 mv 1 97 123 125 0 + 4 e 204 305 etot -8.5196E+01 mv 1 97 169 -56 0 + 4 e 236 304 etot -8.5195E+01 mv 1 97 169 83 0 + 4 e 251 294 etot -6.2357E+01 mv 2 97 180 -175 0 + 4 e 195 303 etot -8.3832E+01 mv 1 97 169 102 0 + 4 e 558 277 etot -7.6199E+01 mv 2 97 126 -111 0 + 4 e 245 310 etot -8.9668E+01 mv 1 97 77 -160 0 + 4 e 256 311 etot -8.8680E+01 mv 1 97 190 24 0 c 190 3.9 0.0 + 4 e 306 307 etot -8.7725E+01 mv 1 97 77 134 0 + 4 e 551 262 etot -8.0508E+01 mv 2 97 22 -44 0 + 4 e 329 292 etot -7.8687E+01 mv 2 97 180 -37 0 + 4 e 308 295 etot -8.5271E+01 mv 2 97 180 148 0 + 4 e 539 270 etot -8.2268E+01 mv 2 97 96 -75 0 + 4 e 322 309 etot -8.7725E+01 mv 1 97 77 -99 0 + 4 e 646 278 etot -8.5289E+01 mv 2 97 126 -164 0 + 4 e 197 315 etot -8.8680E+01 mv 1 97 190 -162 0 c 190 2.1 0.0 + 4 e 326 299 etot -7.5299E+01 mv 2 97 173 -18 0 + 4 e 303 312 etot -8.8630E+01 mv 1 97 190 16 0 + 4 e 273 316 etot -8.8969E+01 mv 1 97 123 -8 0 + 4 e 288 321 etot -8.7190E+01 mv 1 97 55 -98 0 + 4 e 449 289 etot -8.0501E+01 mv 2 97 21 146 0 + 4 e 660 288 etot -8.8777E+01 mv 2 97 21 -71 0 + 4 e 184 330 etot -8.6571E+01 mv 1 97 184 75 0 + 4 e 329 319 etot -8.4657E+01 mv 1 97 123 67 0 + 4 e 165 326 etot -8.6571E+01 mv 1 97 184 98 0 + 4 e 354 306 etot -8.7809E+01 mv 1 97 77 34 0 + 4 e 635 296 etot -8.2321E+01 mv 2 97 173 -152 0 + 4 e 353 322 etot -8.4229E+01 mv 1 97 55 -183 0 + 4 e 253 329 etot -8.6570E+01 mv 1 97 184 -192 0 + 4 e 344 323 etot -8.4229E+01 mv 1 97 55 -153 0 + 4 e 217 325 etot -8.7463E+01 mv 1 97 55 -182 0 c 55 10.5 0.0 + 4 e 532 286 etot -8.2259E+01 mv 2 97 21 -98 0 + 4 e 318 327 etot -8.5229E+01 mv 1 97 184 -129 0 + -1 e 1 354 etot 1.3528E+20 mv 1 97 152 -179 0 + 4 e 305 313 etot -8.8680E+01 mv 1 97 190 -163 0 + 4 e 273 335 etot -8.6014E+01 mv 1 97 41 126 0 + 4 e 157 343 etot -8.5734E+01 mv 1 97 26 -61 0 c 26 1.6 0.0 + 4 e 481 318 etot -9.1485E+01 mv 1 97 123 117 0 + -1 e 1 359 etot 1.3528E+20 mv 1 97 40 82 0 + 4 e 508 317 etot -8.7492E+01 mv 1 97 123 -125 0 + 4 e 233 332 etot -8.6014E+01 mv 1 97 41 148 0 + -1 e 1 362 etot 1.3528E+20 mv 1 97 22 109 0 + 4 e 409 328 etot -8.0402E+01 mv 1 97 184 132 0 + 4 e 328 336 etot -8.6411E+01 mv 1 97 161 -77 0 + 4 e 681 308 etot -8.0662E+01 mv 1 97 77 -37 0 + 4 e 194 348 etot -8.5712E+01 mv 1 97 177 82 0 + -1 e 1 367 etot 1.3528E+20 mv 1 97 96 -185 0 + 4 e 214 345 etot -8.5734E+01 mv 1 97 26 156 0 + 4 e 284 340 etot -8.4776E+01 mv 1 97 161 -13 0 + 4 e 310 339 etot -8.6005E+01 mv 1 97 161 193 0 + 4 e 204 351 etot -6.9573E+01 mv 1 97 152 57 0 + 4 e 285 338 etot -8.7511E+01 mv 1 97 161 52 0 + 4 e 286 344 etot -8.7561E+01 mv 1 97 26 72 0 + 4 e 147 361 etot -8.5383E+01 mv 1 97 22 63 0 c 22 1.4 0.0 + 4 e 333 334 etot -8.6013E+01 mv 1 97 41 131 0 + 4 e 259 355 etot -8.5081E+01 mv 1 97 152 81 0 + 4 e 208 358 etot -8.4852E+01 mv 1 97 40 -196 0 + 4 e 220 347 etot -8.4285E+01 mv 1 97 177 -179 0 + 4 e 228 346 etot -8.5712E+01 mv 1 97 177 14 0 + 4 e 257 342 etot -8.4730E+01 mv 1 97 26 98 0 + 4 e 378 331 etot -8.5593E+01 mv 1 97 41 51 0 + 4 e 201 360 etot -8.5552E+01 mv 1 97 40 114 0 c 40 2.7 0.0 + 4 e 313 349 etot -8.5672E+01 mv 1 97 177 115 0 + 4 e 370 333 etot -7.9330E+01 mv 1 97 41 -113 0 + 4 e 159 368 etot -8.4619E+01 mv 1 97 96 -64 0 + 4 e 216 353 etot -8.4160E+01 mv 1 97 152 151 0 + 4 e 681 300 etot -7.7163E+01 mv 2 97 173 -135 0 + -1 e 1 388 etot 1.3528E+20 mv 1 97 21 -194 0 + 4 e 162 371 etot 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151 -79 0 + 4 e 14 406 etot -8.6571E+01 mv 0 97 184 0 0 c 184 0.0 0.0 + 4 e 67 402 etot -8.9668E+01 mv 0 97 77 0 0 c 77 0.3 0.0 + 4 e 72 404 etot -8.8970E+01 mv 0 97 123 0 0 c 123 0.7 0.0 + 4 e 342 375 etot -8.3733E+01 mv 1 97 151 -89 0 + 4 e 554 357 etot -8.1302E+01 mv 1 97 40 -106 0 + 4 e 124 403 etot -8.8680E+01 mv 0 97 190 0 0 c 190 0.9 0.0 + 4 e 14 415 etot -8.5335E+01 mv 0 97 151 0 0 + 4 e 328 384 etot -7.7584E+01 mv 1 97 48 -72 0 + 4 e 81 409 etot -8.5734E+01 mv 0 97 26 0 0 c 26 1.1 0.0 + 4 e 102 407 etot -8.6015E+01 mv 0 97 41 0 0 c 41 0.9 0.0 +## N0 total= 22 close= 16 far= 0 %acc 72.7 +## N1 total= 98 close= 6 far= 0 %acc 6.1 +## N2 total= 100 close= 7 far= 0 %acc 7.0 +## N3 total= 0 close= 0 far= 0 %acc 0.0 +## N4 total= 0 close= 0 far= 0 %acc 0.0 +## N5 total= 0 close= 0 far= 0 %acc 0.0 +## N6 total= 200 close= 13 far= 0 %acc 6.5 +## N7 total= 0 close= 0 far= 0 %acc 0.0 +## N8 total= 0 close= 0 far= 0 %acc 0.0 +## N9 total= 0 close= 0 far= 0 %acc 0.0 +##N10 total= 0 close= 0 far= 0 %acc 0.0 +##N11 total= 0 close= 0 far= 0 %acc 0.0 +##N12 total= 0 close= 0 far= 0 %acc 0.0 +##N13 total= 0 close= 0 far= 0 %acc 0.0 +##N14 total= 0 close= 0 far= 0 %acc 0.0 +##N15 total= 0 close= 0 far= 0 %acc 0.0 +##N16 total= 0 close= 0 far= 0 %acc 0.0 +##N17 total= 0 close= 0 far= 0 %acc 0.0 +##N18 total= 0 close= 0 far= 0 %acc 0.0 + Time for refresh 98 0.27 + make_var : nseed= 20 ntry= 420 + Time for make trial 99 0.09 +Nonsetup time 206.13 sec, Eval/s = 58464.15 +Time for iter 99 1.87 sec, Eval/s = 66713.71 + UPDATING 420 + 4 e 496 390 etot -8.2637E+01 mv 1 97 21 -60 0 + 4 e 327 395 etot -8.5308E+01 mv 1 97 180 -17 0 c 180 0.8 0.0 + 4 e 131 416 etot -8.9071E+01 mv 0 97 126 0 0 + 4 e 612 386 etot -8.8778E+01 mv 1 97 21 -95 0 + 4 e 60 414 etot -8.5366E+01 mv 0 97 96 0 0 c 96 0.4 0.0 + 4 e 160 408 etot -8.6005E+01 mv 0 97 161 0 0 + 4 e 401 398 etot -8.5407E+01 mv 1 97 173 76 0 c 173 19.8 0.1 + 4 e 372 399 etot -8.5751E+01 mv 1 97 173 -34 0 c 173 128.6 0.3 + 4 e 120 417 etot -8.7296E+01 mv 0 97 48 0 0 + 4 e 305 393 etot -8.5307E+01 mv 1 97 180 -182 0 + 4 e 695 418 etot -8.8779E+01 mv 0 97 21 0 0 + 4 e 51 419 etot -8.5308E+01 mv 0 97 180 0 0 c 180 0.7 0.0 + 4 e 137 413 etot -8.5383E+01 mv 0 97 22 0 0 c 22 1.2 0.0 + 4 e 404 377 etot -8.9838E+01 mv 1 97 126 153 0 c 126 1.5 0.0 + 4 e 456 397 etot -7.6621E+01 mv 1 97 173 57 0 + -1 e 1 7 etot 1.3528E+20 mv 6 98 186 87 0 + 4 e 21 420 etot -8.5303E+01 mv 0 97 173 0 0 + 4 e 271 400 etot -8.3870E+01 mv 1 97 173 -40 0 + -1 e 1 10 etot 1.3528E+20 mv 6 98 186 119 0 + 4 e 329 391 etot -8.5307E+01 mv 1 97 180 -126 0 + 4 e 153 411 etot -8.5669E+01 mv 0 97 152 0 0 c 152 1.8 0.0 + 4 e 695 387 etot -8.8951E+01 mv 1 97 21 28 0 + 4 e 213 405 etot -8.7463E+01 mv 0 97 55 0 0 c 55 1.7 0.0 + 4 e 591 376 etot -8.4526E+01 mv 1 97 126 -143 0 + 4 e 484 385 etot -8.7293E+01 mv 1 97 48 -93 0 + 4 e 453 381 etot -8.7294E+01 mv 1 97 48 -53 0 + 4 e 112 412 etot -8.5552E+01 mv 0 97 40 0 0 c 40 1.0 0.0 + 4 e 520 356 etot -8.2371E+01 mv 1 97 40 -89 0 + 4 e 97 410 etot -8.5712E+01 mv 0 97 177 0 0 c 177 0.6 0.0 + 4 e 304 379 etot -7.7639E+01 mv 1 97 126 -158 0 + 4 e 334 382 etot -8.6993E+01 mv 1 97 48 102 0 + 4 e 513 380 etot -8.9068E+01 mv 1 97 126 -133 0 + 4 e 409 389 etot -8.3126E+01 mv 1 97 21 175 0 + 4 e 151 4 etot -6.9325E+01 mv 6 98 186 15 0 + 4 e 155 29 etot -8.9414E+01 mv 6 98 9 159 0 c 9 2.8 0.0 + 4 e 197 20 etot -9.0781E+01 mv 6 98 126 46 0 + 4 e 224 1 etot -8.5179E+01 mv 6 98 186 141 0 + 4 e 270 3 etot -7.2561E+01 mv 6 98 186 64 0 + 4 e 284 19 etot -8.8950E+01 mv 6 98 126 118 0 + 4 e 260 22 etot -8.6971E+01 mv 6 98 9 112 0 + 4 e 269 18 etot -7.7742E+01 mv 6 98 126 47 0 + 4 e 273 25 etot -8.8267E+01 mv 6 98 9 5 0 + 4 e 279 30 etot -9.0581E+01 mv 6 98 9 149 0 + 4 e 290 17 etot -8.9838E+01 mv 6 98 126 81 0 c 126 1.1 0.0 + 4 e 270 24 etot -8.6354E+01 mv 6 98 9 83 0 + 4 e 52 39 etot -8.7970E+01 mv 6 98 23 73 0 c 73 0.1 0.0 + -1 e 1 45 etot 1.3528E+20 mv 6 98 151 165 0 + 4 e 314 13 etot -8.1335E+01 mv 6 98 126 164 0 + 4 e 329 28 etot -7.9034E+01 mv 6 98 9 91 0 + 4 e 332 26 etot -8.5922E+01 mv 6 98 9 64 0 + 4 e 350 5 etot -8.1114E+01 mv 6 98 186 29 0 + 4 e 324 23 etot -9.0746E+01 mv 6 98 9 83 0 + 4 e 359 31 etot -8.8080E+01 mv 6 98 23 112 0 + 4 e 369 27 etot -8.9411E+01 mv 6 98 9 104 0 + 4 e 381 16 etot -7.6072E+01 mv 6 98 126 77 0 + 4 e 241 38 etot -7.5158E+01 mv 6 98 23 47 0 + 4 e 279 37 etot -8.8242E+01 mv 6 98 23 142 0 + 4 e 536 2 etot -6.9220E+01 mv 6 98 186 47 0 + 4 e 418 8 etot -8.3010E+01 mv 6 98 186 90 0 + 4 e 425 33 etot -8.5096E+01 mv 6 98 23 89 0 + 4 e 434 15 etot -7.1180E+01 mv 6 98 126 85 0 + 4 e 454 6 etot -7.3877E+01 mv 6 98 186 91 0 + -1 e 1 62 etot 1.3528E+20 mv 6 98 156 4 0 + 4 e 183 43 etot -8.6118E+01 mv 6 98 151 138 0 + -1 e 1 64 etot 1.3528E+20 mv 6 98 156 51 0 + 4 e 321 34 etot -8.8587E+01 mv 6 98 23 147 0 + 4 e 459 12 etot -8.8311E+01 mv 6 98 126 198 0 + 4 e 156 47 etot -8.5770E+01 mv 6 98 151 188 0 + 4 e 567 11 etot -8.3459E+01 mv 6 98 126 65 0 + 4 e 152 54 etot -6.7606E+01 mv 6 98 141 139 0 + 4 e 189 56 etot -7.1035E+01 mv 6 98 141 118 0 + -1 e 1 71 etot 1.3528E+20 mv 6 98 121 44 0 + 4 e 226 44 etot -8.7131E+01 mv 6 98 151 131 0 + -1 e 1 72 etot 1.3528E+20 mv 6 98 121 106 0 + 4 e 536 21 etot -7.7542E+01 mv 6 98 9 161 0 + 4 e 546 9 etot -7.8445E+01 mv 6 98 186 173 0 + 4 e 232 48 etot -9.0500E+01 mv 6 98 151 27 0 + -1 e 1 77 etot 1.3528E+20 mv 6 98 121 22 0 + 4 e 264 57 etot -6.6905E+01 mv 6 98 141 53 0 + 4 e 248 58 etot -8.4563E+01 mv 6 98 141 67 0 + 4 e 233 50 etot -8.3237E+01 mv 6 98 151 75 0 + 4 e 258 55 etot -8.3329E+01 mv 6 98 141 107 0 + 4 e 356 40 etot -8.8588E+01 mv 6 98 23 106 0 + -1 e 1 83 etot 1.3528E+20 mv 6 98 120 142 0 + -1 e 1 84 etot 1.3528E+20 mv 6 98 120 96 0 + -1 e 1 85 etot 1.3528E+20 mv 6 98 120 82 0 + 4 e 158 73 etot -8.5156E+01 mv 6 98 121 68 0 + 4 e 490 36 etot -8.6795E+01 mv 6 98 23 66 0 + 4 e 177 65 etot -7.2308E+01 mv 6 98 156 52 0 + 4 e 231 59 etot -8.1672E+01 mv 6 98 141 46 0 + 4 e 402 51 etot -7.3231E+01 mv 6 98 141 131 0 + 4 e 203 69 etot -8.3787E+01 mv 6 98 156 73 0 + 4 e 713 14 etot -8.3308E+01 mv 6 98 126 181 0 + 4 e 425 42 etot -8.4136E+01 mv 6 98 151 30 0 + 4 e 669 32 etot -8.9606E+01 mv 6 98 23 25 0 + 4 e 466 46 etot -8.6207E+01 mv 6 98 151 184 0 + -1 e 1 96 etot 3.9655E+31 mv 6 98 72 156 0 + 4 e 328 61 etot -8.3772E+01 mv 6 98 156 42 0 + 4 e 416 63 etot -7.9614E+01 mv 6 98 156 23 0 + 4 e 264 79 etot -6.9234E+01 mv 6 98 121 128 0 + 4 e 224 82 etot -8.5152E+01 mv 6 98 120 123 0 c 120 3.2 0.0 + 4 e 239 68 etot -8.5326E+01 mv 6 98 156 175 0 + -1 e 1 102 etot 1.3528E+20 mv 6 98 143 80 0 + 4 e 597 35 etot -8.4940E+01 mv 6 98 23 22 0 + -1 e 1 104 etot 1.3528E+20 mv 6 98 143 103 0 + 4 e 428 66 etot -8.5325E+01 mv 6 98 156 8 0 + 4 e 275 70 etot -8.8021E+01 mv 6 98 156 172 0 + 4 e 389 53 etot -7.6763E+01 mv 6 98 141 160 0 + 4 e 395 67 etot -6.9366E+01 mv 6 98 156 132 0 + -1 e 1 107 etot 1.3528E+20 mv 6 98 143 163 0 + 4 e 379 75 etot -8.4270E+01 mv 6 98 121 200 0 + 4 e 392 52 etot -9.0780E+01 mv 6 98 141 27 0 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0 + -1 e 1 133 etot 1.3528E+20 mv 6 98 25 26 0 + 4 e 590 78 etot -9.2229E+01 mv 6 98 121 200 0 + 4 e 282 111 etot -7.2914E+01 mv 6 98 88 64 0 + 4 e 201 117 etot -7.7406E+01 mv 6 98 88 62 0 + 4 e 260 115 etot -8.5393E+01 mv 6 98 88 138 0 + 4 e 177 121 etot -8.5110E+01 mv 6 98 19 103 0 + -1 e 1 138 etot 1.3528E+20 mv 6 98 25 188 0 + -1 e 1 140 etot 1.3528E+20 mv 6 98 25 65 0 + 4 e 315 109 etot -8.5114E+01 mv 6 98 143 97 0 + 4 e 383 101 etot -8.2631E+01 mv 6 98 143 89 0 + 4 e 187 126 etot -8.5679E+01 mv 6 98 19 65 0 + 4 e 341 94 etot -8.5850E+01 mv 6 98 72 181 0 + 4 e 435 100 etot -8.2616E+01 mv 6 98 72 12 0 + 4 e 251 108 etot -8.8115E+01 mv 6 98 143 4 0 + 4 e 310 120 etot -8.1131E+01 mv 6 98 88 190 0 + -1 e 1 148 etot 1.3528E+20 mv 6 98 195 165 0 + 4 e 495 86 etot -8.3386E+01 mv 6 98 120 56 0 + 4 e 516 81 etot -7.2079E+01 mv 6 98 120 71 0 + 4 e 229 130 etot -8.5110E+01 mv 6 98 19 85 0 + -1 e 1 151 etot 1.3528E+20 mv 6 98 30 3 0 + 4 e 284 127 etot -8.5110E+01 mv 6 98 19 185 0 + 4 e 622 92 etot -8.0078E+01 mv 6 98 72 155 0 + 4 e 285 128 etot -8.1778E+01 mv 6 98 19 7 0 + 4 e 437 116 etot -8.1505E+01 mv 6 98 88 144 0 + 4 e 301 112 etot -8.0282E+01 mv 6 98 88 70 0 + 4 e 387 95 etot -8.6657E+01 mv 6 98 72 61 0 + 4 e 380 125 etot -8.7768E+01 mv 6 98 19 140 0 + 4 e 417 105 etot -8.9048E+01 mv 6 98 143 15 0 + 4 e 231 139 etot -8.0524E+01 mv 6 98 25 11 0 + 4 e 285 137 etot -8.5108E+01 mv 6 98 25 54 0 + 4 e 310 135 etot -7.4324E+01 mv 6 98 25 62 0 + 4 e 191 152 etot -8.5280E+01 mv 6 98 30 106 0 c 30 1.4 0.0 + 4 e 384 119 etot -8.2755E+01 mv 6 98 88 65 0 + 4 e 430 136 etot -8.5107E+01 mv 6 98 25 67 0 + 4 e 313 149 etot -7.7027E+01 mv 6 98 195 51 0 + 4 e 414 141 etot -9.0276E+01 mv 6 98 195 174 0 + 4 e 203 147 etot -8.7780E+01 mv 6 98 195 138 0 + 4 e 377 123 etot -8.5580E+01 mv 6 98 19 142 0 + 4 e 541 132 etot -8.0412E+01 mv 6 98 25 153 0 + 4 e 456 143 etot -8.8020E+01 mv 6 98 195 192 0 + 4 e 549 103 etot -7.6146E+01 mv 6 98 143 44 0 + 4 e 546 110 etot -7.4931E+01 mv 6 98 143 2 0 + 4 e 322 155 etot -8.5311E+01 mv 6 98 30 133 0 c 30 69.2 0.0 + 4 e 445 146 etot -8.9755E+01 mv 6 98 195 77 0 + 4 e 453 144 etot -8.6873E+01 mv 6 98 195 108 0 + 4 e 282 160 etot -8.2767E+01 mv 6 98 30 172 0 + 4 e 589 131 etot -7.8716E+01 mv 6 98 25 186 0 + 4 e 347 157 etot -8.8322E+01 mv 6 98 30 27 0 c 107 3.0 0.0 + 4 e 77 173 etot -9.1405E+01 mv 6 98 47 200 0 c 200 0.3 0.0 + 4 e 618 134 etot -8.2803E+01 mv 6 98 25 192 0 + 4 e 435 129 etot -8.7087E+01 mv 6 98 19 59 0 + 4 e 281 158 etot -7.7077E+01 mv 6 98 30 182 0 + 4 e 391 145 etot -8.7178E+01 mv 6 98 195 12 0 + 4 e 487 154 etot -7.5249E+01 mv 6 98 30 52 0 + 4 e 656 142 etot -8.9527E+01 mv 6 98 195 4 0 + 4 e 207 172 etot -8.7562E+01 mv 6 98 47 71 0 + 4 e 527 156 etot -7.5210E+01 mv 6 98 30 11 0 + 4 e 457 162 etot -8.1980E+01 mv 6 98 95 162 0 + 4 e 222 179 etot -7.5483E+01 mv 6 98 47 200 0 + 4 e 315 167 etot -8.6811E+01 mv 6 98 95 139 0 + 4 e 234 176 etot -8.5077E+01 mv 6 98 47 194 0 + 4 e 223 180 etot -8.8843E+01 mv 6 98 47 125 0 + 4 e 203 183 etot -8.3636E+01 mv 6 98 179 118 0 + -1 e 1 196 etot 1.3528E+20 mv 6 98 129 17 0 + 4 e 469 163 etot -8.5878E+01 mv 6 98 95 171 0 c 95 6.4 0.0 + 4 e 342 168 etot -8.9125E+01 mv 6 98 95 174 0 + 4 e 443 165 etot -8.6704E+01 mv 6 98 95 156 0 + 4 e 494 164 etot -8.9837E+01 mv 6 98 95 36 0 + 4 e 466 153 etot -7.8709E+01 mv 6 98 30 83 0 + 4 e 267 182 etot -8.2024E+01 mv 6 98 179 82 0 + -1 e 1 202 etot 1.3528E+20 mv 2 98 186 53 0 + 4 e 251 174 etot -8.6673E+01 mv 6 98 47 190 0 + 4 e 436 161 etot -7.8599E+01 mv 6 98 95 140 0 + 4 e 364 181 etot -8.6258E+01 mv 6 98 179 115 0 + 4 e 266 187 etot -8.7900E+01 mv 6 98 179 108 0 + 4 e 157 195 etot -8.8630E+01 mv 6 98 129 63 0 + 4 e 414 177 etot -8.3998E+01 mv 6 98 47 73 0 + 4 e 334 170 etot -8.6140E+01 mv 6 98 95 63 0 + 4 e 234 186 etot -8.7900E+01 mv 6 98 179 38 0 + 4 e 278 190 etot -8.1629E+01 mv 6 98 179 178 0 + 4 e 245 185 etot -8.6403E+01 mv 6 98 179 87 0 + 4 e 421 166 etot -8.5874E+01 mv 6 98 95 36 0 + 4 e 585 150 etot -7.4823E+01 mv 6 98 195 117 0 + 4 e 580 169 etot -8.8052E+01 mv 6 98 95 193 0 + 4 e 499 178 etot -7.9821E+01 mv 6 98 47 117 0 + 4 e 217 201 etot -8.5178E+01 mv 2 98 186 109 0 + 4 e 264 199 etot -8.6975E+01 mv 6 98 129 126 0 + 4 e 272 198 etot -8.9092E+01 mv 6 98 129 127 0 + 4 e 373 171 etot -8.5075E+01 mv 6 98 47 150 0 + 4 e 385 189 etot -8.0432E+01 mv 6 98 179 67 0 + 4 e 186 204 etot -6.4839E+01 mv 2 98 186 83 0 + 4 e 171 210 etot -8.9838E+01 mv 2 98 126 24 0 c 126 1.4 0.0 + 4 e 177 205 etot -8.5179E+01 mv 2 98 186 -62 0 + 4 e 370 192 etot -8.4047E+01 mv 6 98 129 198 0 + 4 e 310 184 etot -8.7083E+01 mv 6 98 179 162 0 + 4 e 146 213 etot -8.9414E+01 mv 2 98 9 -143 0 c 9 0.8 0.0 + 4 e 228 209 etot -8.8253E+01 mv 2 98 126 -89 0 + 4 e 238 207 etot -8.9838E+01 mv 2 98 126 -78 0 + 4 e 406 193 etot -8.2497E+01 mv 6 98 129 3 0 + 4 e 610 159 etot -8.5124E+01 mv 6 98 30 46 0 f 167 318.1 0.1 + 4 e 133 212 etot -7.4891E+01 mv 2 98 9 34 0 + 4 e 486 188 etot -8.0415E+01 mv 6 98 179 48 0 + -1 e 1 234 etot 1.3528E+20 mv 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-7.2139E+01 mv 2 98 88 -67 0 + 4 e 376 251 etot -7.3549E+01 mv 2 98 143 -119 0 + 4 e 431 248 etot -8.5119E+01 mv 2 98 72 137 0 + -1 e 1 279 etot 1.3528E+20 mv 2 98 30 69 0 + 4 e 426 250 etot -8.2248E+01 mv 2 98 72 -191 0 + -1 e 1 281 etot 1.3528E+20 mv 2 98 95 -116 0 + 4 e 160 270 etot -8.5108E+01 mv 2 98 25 -8 0 + 4 e 314 249 etot -8.5120E+01 mv 2 98 72 109 0 + 4 e 318 257 etot -8.5240E+01 mv 2 98 88 8 0 + 4 e 238 255 etot -8.5115E+01 mv 2 98 143 197 0 + -1 e 1 286 etot 1.3528E+20 mv 2 98 47 40 0 + -1 e 1 287 etot 1.3528E+20 mv 2 98 47 -147 0 + 4 e 605 239 etot -8.3899E+01 mv 2 98 121 166 0 + -1 e 1 289 etot 1.3528E+20 mv 2 98 47 144 0 + 4 e 291 261 etot -9.0745E+01 mv 2 98 19 88 0 + 4 e 343 256 etot -7.9493E+01 mv 2 98 88 -133 0 + 4 e 164 273 etot -8.9757E+01 mv 2 98 195 -153 0 + 4 e 472 233 etot -7.9791E+01 mv 2 98 156 126 0 + 4 e 607 242 etot -7.7473E+01 mv 2 98 120 -133 0 + 4 e 292 266 etot -7.3520E+01 mv 2 98 25 -2 0 + 4 e 244 272 etot -8.0305E+01 mv 2 98 195 -186 0 + 4 e 481 254 etot -7.3435E+01 mv 2 98 143 166 0 + 4 e 290 271 etot -8.2190E+01 mv 2 98 195 13 0 + 4 e 230 267 etot -8.1849E+01 mv 2 98 25 -88 0 + 4 e 282 258 etot -8.2685E+01 mv 2 98 88 -2 0 + -1 e 1 300 etot 1.3528E+20 mv 2 98 129 159 0 + 4 e 301 269 etot -6.6879E+01 mv 2 98 25 150 0 + 4 e 450 244 etot -7.8338E+01 mv 2 98 120 -58 0 + 4 e 168 285 etot -8.5879E+01 mv 2 98 95 169 0 c 95 2.3 0.0 + 4 e 467 260 etot -8.5240E+01 mv 2 98 88 109 0 + 4 e 438 264 etot -8.3909E+01 mv 2 98 19 100 0 + 4 e 302 275 etot -7.7628E+01 mv 2 98 195 -90 0 + 4 e 264 277 etot -8.2487E+01 mv 2 98 30 171 0 + 4 e 317 265 etot -7.5798E+01 mv 2 98 19 -113 0 + 4 e 185 293 etot -8.5072E+01 mv 2 98 179 -77 0 + 4 e 170 295 etot -8.5072E+01 mv 2 98 179 185 0 + 4 e 144 288 etot -8.5077E+01 mv 2 98 47 -37 0 c 47 1.0 0.0 + 4 e 135 298 etot -8.5063E+01 mv 2 98 129 -22 0 + 4 e 198 276 etot -8.5280E+01 mv 2 98 30 -92 0 + 4 e 206 291 etot -8.4551E+01 mv 2 98 179 -173 0 + 4 e 556 240 etot -8.5102E+01 mv 2 98 121 -153 0 + 4 e 640 236 etot -9.2230E+01 mv 2 98 121 188 0 + 4 e 404 262 etot -7.2463E+01 mv 2 98 19 199 0 + -1 e 1 319 etot 1.3528E+20 mv 1 98 23 -20 0 + 4 e 303 292 etot -7.3387E+01 mv 2 98 179 -19 0 + 4 e 238 297 etot -8.5063E+01 mv 2 98 129 -63 0 + 4 e 303 290 etot -8.5075E+01 mv 2 98 47 -170 0 + 4 e 143 301 etot -8.5179E+01 mv 1 98 186 38 0 + 4 e 152 308 etot -8.9839E+01 mv 1 98 126 97 0 c 126 0.8 0.0 + 4 e 397 282 etot -7.0603E+01 mv 2 98 95 118 0 + 4 e 317 296 etot -8.5063E+01 mv 2 98 129 -30 0 + 4 e 441 278 etot -7.4550E+01 mv 2 98 30 123 0 + 4 e 280 299 etot -7.5024E+01 mv 2 98 129 73 0 + -1 e 1 329 etot 2.1670E+23 mv 1 98 141 137 0 + 4 e 424 283 etot -8.0061E+01 mv 2 98 95 -139 0 + 4 e 228 306 etot -8.9838E+01 mv 1 98 126 173 0 + 4 e 294 294 etot -8.4918E+01 mv 2 98 179 180 0 + -1 e 1 333 etot 1.3528E+20 mv 1 98 156 32 0 + 4 e 238 311 etot -8.7869E+01 mv 1 98 9 -69 0 + 4 e 310 305 etot -8.5178E+01 mv 1 98 186 124 0 + 4 e 554 280 etot -7.7243E+01 mv 2 98 30 189 0 + 4 e 472 268 etot -8.5107E+01 mv 2 98 25 -126 0 + 4 e 183 322 etot -8.6118E+01 mv 1 98 151 97 0 + 4 e 284 312 etot -8.9137E+01 mv 1 98 9 -50 0 + 4 e 174 325 etot -8.6118E+01 mv 1 98 151 -163 0 c 151 0.7 0.0 + 4 e 317 314 etot -9.0581E+01 mv 1 98 9 119 0 + 4 e 222 323 etot -8.6118E+01 mv 1 98 151 18 0 + 4 e 240 321 etot -8.6118E+01 mv 1 98 151 159 0 + 4 e 437 284 etot -6.9161E+01 mv 2 98 95 -33 0 + 4 e 186 324 etot -8.6118E+01 mv 1 98 151 -148 0 + 4 e 267 326 etot -8.5444E+01 mv 1 98 141 -186 0 + 4 e 494 303 etot -8.4731E+01 mv 1 98 186 -61 0 + 4 e 232 331 etot -8.5268E+01 mv 1 98 156 -146 0 + 4 e 294 313 etot -8.8526E+01 mv 1 98 9 179 0 + 4 e 182 336 etot -8.5156E+01 mv 1 98 121 135 0 + 4 e 208 335 etot -8.5366E+01 mv 1 98 156 127 0 + 4 e 446 316 etot -8.0521E+01 mv 1 98 23 -2 0 + 4 e 529 307 etot -7.7982E+01 mv 1 98 126 -137 0 + 4 e 180 341 etot -8.2312E+01 mv 1 98 120 -35 0 + 4 e 302 318 etot -8.8682E+01 mv 1 98 23 15 0 + 4 e 314 332 etot -7.1668E+01 mv 1 98 156 -61 0 + 4 e 344 328 etot -8.3478E+01 mv 1 98 141 -66 0 + 4 e 415 302 etot -7.6070E+01 mv 1 98 186 181 0 + 4 e 542 309 etot -8.6618E+01 mv 1 98 126 7 0 + 4 e 259 337 etot -8.5156E+01 mv 1 98 121 43 0 + 4 e 245 339 etot -8.4755E+01 mv 1 98 121 -23 0 + 4 e 437 304 etot -8.4096E+01 mv 1 98 186 70 0 + 4 e 252 340 etot -8.5156E+01 mv 1 98 121 -34 0 + 4 e 366 317 etot -8.8682E+01 mv 1 98 23 -25 0 + 4 e 382 315 etot -8.3302E+01 mv 1 98 9 -38 0 + 4 e 224 344 etot -8.4753E+01 mv 1 98 120 23 0 + 4 e 415 310 etot -8.9838E+01 mv 1 98 126 -34 0 + 4 e 276 343 etot -7.1551E+01 mv 1 98 120 -87 0 + 4 e 167 345 etot -8.5152E+01 mv 1 98 120 -25 0 c 120 2.1 0.0 + 4 e 454 330 etot -8.5443E+01 mv 1 98 141 -45 0 + 4 e 254 348 etot -8.4927E+01 mv 1 98 72 -118 0 + -1 e 1 372 etot 1.3528E+20 mv 1 98 195 -56 0 + -1 e 1 373 etot 1.3528E+20 mv 1 98 195 -85 0 + 4 e 281 338 etot -7.7112E+01 mv 1 98 121 154 0 + 4 e 164 360 etot -8.5409E+01 mv 1 98 88 142 0 + 4 e 202 357 etot -8.5409E+01 mv 1 98 88 -199 0 + 4 e 427 320 etot -8.0647E+01 mv 1 98 23 -198 0 + 4 e 221 346 etot -8.5120E+01 mv 1 98 72 133 0 + -1 e 1 379 etot 1.3528E+20 mv 1 98 30 20 0 + 4 e 574 327 etot -8.5246E+01 mv 1 98 141 -37 0 + 4 e 262 355 etot -8.4523E+01 mv 1 98 143 64 0 + 4 e 342 347 etot -7.2387E+01 mv 1 98 72 -196 0 + 4 e 304 353 etot -8.5115E+01 mv 1 98 143 81 0 + 4 e 450 342 etot -8.4874E+01 mv 1 98 120 -55 0 + 4 e 170 359 etot -8.5388E+01 mv 1 98 88 -87 0 + 4 e 284 361 etot -8.5110E+01 mv 1 98 19 -1 0 + 4 e 275 364 etot -8.4043E+01 mv 1 98 19 98 0 + -1 e 1 388 etot 6.6630E+20 mv 1 98 47 111 0 + 4 e 231 369 etot -8.5108E+01 mv 1 98 25 -124 0 + 4 e 344 358 etot -8.4194E+01 mv 1 98 88 -170 0 + 4 e 409 352 etot -8.5115E+01 mv 1 98 143 -99 0 + 4 e 153 370 etot -8.5108E+01 mv 1 98 25 175 0 + 4 e 178 374 etot -7.9451E+01 mv 1 98 195 117 0 + 4 e 466 351 etot -7.3437E+01 mv 1 98 143 52 0 + 4 e 370 362 etot -8.3910E+01 mv 1 98 19 25 0 + 4 e 164 385 etot -8.5879E+01 mv 1 98 95 -124 0 c 95 1.4 0.0 + 4 e 355 350 etot -8.1101E+01 mv 1 98 72 -86 0 + -1 e 1 398 etot 1.3528E+20 mv 1 98 129 -131 0 + 4 e 519 334 etot -7.4691E+01 mv 1 98 156 85 0 + 4 e 414 367 etot -7.3167E+01 mv 1 98 25 7 0 + 4 e 261 381 etot -8.5879E+01 mv 1 98 95 83 0 + 4 e 291 365 etot -8.5677E+01 mv 1 98 19 -115 0 + 4 e 18 401 etot -8.5179E+01 mv 0 98 186 0 0 c 186 0.0 0.0 + 4 e 237 383 etot -8.5879E+01 mv 1 98 95 54 0 + 4 e 322 366 etot -8.4845E+01 mv 1 98 25 -118 0 + 4 e 119 397 etot -8.5063E+01 mv 1 98 129 -21 0 + 4 e 444 371 etot -8.1375E+01 mv 1 98 195 -129 0 + 4 e 13 407 etot -8.5366E+01 mv 0 98 156 0 0 c 156 0.0 0.0 + 4 e 29 406 etot -8.5445E+01 mv 0 98 141 0 0 c 141 0.1 0.0 + 4 e 79 405 etot -8.6119E+01 mv 0 98 151 0 0 c 151 0.4 0.0 + 4 e 321 384 etot -8.6338E+01 mv 1 98 95 -99 0 c 95 112.5 0.5 + 4 e 217 394 etot -8.5072E+01 mv 1 98 179 111 0 + 4 e 156 393 etot -7.7918E+01 mv 1 98 179 184 0 + 4 e 396 376 etot -8.1880E+01 mv 1 98 30 -161 0 + 4 e 192 395 etot -8.5072E+01 mv 1 98 179 189 0 + 4 e 263 378 etot -8.5280E+01 mv 1 98 30 -65 0 + 4 e 283 387 etot -8.5076E+01 mv 1 98 47 -182 0 + 4 e 118 402 etot -8.9839E+01 mv 0 98 126 0 0 c 126 0.6 0.0 + 4 e 265 380 etot -6.3662E+01 mv 1 98 30 -120 0 +## N0 total= 17 close= 12 far= 0 %acc 70.6 +## N1 total= 103 close= 9 far= 0 %acc 8.7 +## N2 total= 100 close= 6 far= 0 %acc 6.0 +## N3 total= 0 close= 0 far= 0 %acc 0.0 +## N4 total= 0 close= 0 far= 0 %acc 0.0 +## N5 total= 0 close= 0 far= 0 %acc 0.0 +## N6 total= 200 close= 10 far= 1 %acc 5.5 +## N7 total= 0 close= 0 far= 0 %acc 0.0 +## N8 total= 0 close= 0 far= 0 %acc 0.0 +## N9 total= 0 close= 0 far= 0 %acc 0.0 +##N10 total= 0 close= 0 far= 0 %acc 0.0 +##N11 total= 0 close= 0 far= 0 %acc 0.0 +##N12 total= 0 close= 0 far= 0 %acc 0.0 +##N13 total= 0 close= 0 far= 0 %acc 0.0 +##N14 total= 0 close= 0 far= 0 %acc 0.0 +##N15 total= 0 close= 0 far= 0 %acc 0.0 +##N16 total= 0 close= 0 far= 0 %acc 0.0 +##N17 total= 0 close= 0 far= 0 %acc 0.0 +##N18 total= 0 close= 0 far= 0 %acc 0.0 + Time for refresh 99 0.27 + make_var : nseed= 20 ntry= 420 + Time for make trial 100 0.16 +Nonsetup time 208.05 sec, Eval/s = 58502.73 +Time for iter 100 1.93 sec, Eval/s = 62632.76 + UPDATING 420 + 4 e 218 396 etot -8.5063E+01 mv 1 98 129 -170 0 + 4 e 141 416 etot -8.5280E+01 mv 0 98 30 0 0 + 4 e 720 349 etot -6.7387E+01 mv 1 98 72 -88 0 + 4 e 121 409 etot -8.5153E+01 mv 0 98 120 0 0 c 120 1.2 0.0 + 4 e 441 377 etot -7.7306E+01 mv 1 98 30 11 0 + 4 e 130 404 etot -8.8683E+01 mv 0 98 23 0 0 c 23 1.1 0.0 + 4 e 497 389 etot -8.4461E+01 mv 1 98 47 -197 0 + 4 e 45 412 etot -8.5409E+01 mv 0 98 88 0 0 c 88 0.2 0.0 + 4 e 54 419 etot -8.5072E+01 mv 0 98 179 0 0 c 179 0.2 0.0 + 4 e 100 413 etot -8.5110E+01 mv 0 98 19 0 0 c 19 0.2 0.0 + 4 e 372 390 etot -8.4257E+01 mv 1 98 47 -52 0 + 4 e 77 408 etot -8.5156E+01 mv 0 98 121 0 0 c 121 0.5 0.0 + 4 e 60 415 etot -8.9757E+01 mv 0 98 195 0 0 c 195 0.2 0.0 + 4 e 309 391 etot -8.5072E+01 mv 1 98 179 -31 0 + 4 e 45 418 etot -8.5077E+01 mv 0 98 47 0 0 c 47 0.9 0.0 + 4 e 31 411 etot -8.5116E+01 mv 0 98 143 0 0 c 143 0.0 0.0 + 4 e 442 392 etot -8.4873E+01 mv 1 98 179 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-8.5227E+01 mv 0 99 192 0 0 c 192 0.0 0.0 + 4 e 387 371 etot -9.2302E+01 mv 1 99 82 168 0 + 4 e 327 383 etot -8.9023E+01 mv 1 99 18 124 0 + 4 e 337 377 etot -9.0233E+01 mv 1 99 16 61 0 + 4 e 14 409 etot -8.7679E+01 mv 0 99 116 0 0 c 116 0.0 0.0 + 4 e 2 411 etot -8.5060E+01 mv 0 99 85 0 0 + 4 e 591 360 etot -8.9425E+01 mv 1 99 87 154 0 + 4 e 360 375 etot -9.2232E+01 mv 1 99 82 -191 0 + 4 e 10 413 etot -8.5024E+01 mv 0 99 44 0 0 + 4 e 323 369 etot -8.1806E+01 mv 1 99 182 112 0 + 4 e 13 414 etot -8.5021E+01 mv 0 99 182 0 0 c 182 0.0 0.0 + 4 e 345 387 etot -8.8748E+01 mv 1 99 46 189 0 + 4 e 209 390 etot -7.3167E+01 mv 1 99 46 152 0 + 4 e 18 416 etot -9.0235E+01 mv 0 99 16 0 0 c 16 0.0 0.0 +## N0 total= 22 close= 18 far= 0 %acc 81.8 +## N1 total= 98 close= 5 far= 0 %acc 5.1 +## N2 total= 100 close= 6 far= 0 %acc 6.0 +## N3 total= 0 close= 0 far= 0 %acc 0.0 +## N4 total= 0 close= 0 far= 0 %acc 0.0 +## N5 total= 0 close= 0 far= 0 %acc 0.0 +## N6 total= 200 close= 16 far= 0 %acc 8.0 +## N7 total= 0 close= 0 far= 0 %acc 0.0 +## N8 total= 0 close= 0 far= 0 %acc 0.0 +## N9 total= 0 close= 0 far= 0 %acc 0.0 +##N10 total= 0 close= 0 far= 0 %acc 0.0 +##N11 total= 0 close= 0 far= 0 %acc 0.0 +##N12 total= 0 close= 0 far= 0 %acc 0.0 +##N13 total= 0 close= 0 far= 0 %acc 0.0 +##N14 total= 0 close= 0 far= 0 %acc 0.0 +##N15 total= 0 close= 0 far= 0 %acc 0.0 +##N16 total= 0 close= 0 far= 0 %acc 0.0 +##N17 total= 0 close= 0 far= 0 %acc 0.0 +##N18 total= 0 close= 0 far= 0 %acc 0.0 + Time for refresh 100 0.26 + make_var : nseed= 20 ntry= 420 + Time for make trial 101 0.07 +Nonsetup time 209.82 sec, Eval/s = 58569.98 +Time for iter 101 1.77 sec, Eval/s = 66476.93 + UPDATING 420 + 4 e 294 397 etot -8.6114E+01 mv 1 99 136 35 0 + 4 e 444 376 etot -8.5657E+01 mv 1 99 16 118 0 + 4 e 12 418 etot -8.8989E+01 mv 0 99 46 0 0 c 46 0.0 0.0 + 4 e 653 367 etot -7.1978E+01 mv 1 99 182 -30 0 + 4 e 142 408 etot -8.5126E+01 mv 0 99 167 0 0 + 4 e 344 389 etot -8.6184E+01 mv 1 99 46 100 0 + 4 e 166 405 etot 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etot -8.5526E+01 mv 6 100 167 125 0 + 4 e 381 78 etot -7.9985E+01 mv 6 100 161 108 0 + 4 e 471 51 etot -8.1600E+01 mv 6 100 95 186 0 + 4 e 540 50 etot -7.5725E+01 mv 6 100 75 119 0 + 4 e 71 101 etot -8.7008E+01 mv 6 100 11 172 0 + -1 e 1 112 etot 1.3528E+20 mv 6 100 191 36 0 + 4 e 586 63 etot -8.7085E+01 mv 6 100 124 54 0 + 4 e 272 93 etot -8.4188E+01 mv 6 100 167 196 0 + 4 e 471 68 etot -8.2278E+01 mv 6 100 124 10 0 + 4 e 361 89 etot -8.5522E+01 mv 6 100 164 41 0 + 4 e 490 81 etot -7.3261E+01 mv 6 100 164 196 0 + 4 e 365 88 etot -7.9453E+01 mv 6 100 164 75 0 + 4 e 312 95 etot -8.5973E+01 mv 6 100 167 182 0 + 4 e 164 103 etot -8.7478E+01 mv 6 100 11 1 0 + 4 e 366 92 etot -8.1190E+01 mv 6 100 167 79 0 + 4 e 365 74 etot -8.6996E+01 mv 6 100 161 57 0 + 4 e 194 98 etot -8.4163E+01 mv 6 100 167 195 0 + 4 e 530 82 etot -8.7457E+01 mv 6 100 164 39 0 + -1 e 1 125 etot 1.3528E+20 mv 6 100 101 16 0 + 4 e 522 77 etot -8.7905E+01 mv 6 100 161 13 0 + 4 e 336 83 etot -8.4781E+01 mv 6 100 164 48 0 + 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etot -7.7786E+01 mv 6 100 59 170 0 + 4 e 297 242 etot -8.7500E+01 mv 2 100 164 -91 0 + 4 e 196 245 etot -8.6750E+01 mv 2 100 164 -95 0 c 164 1.9 0.0 + 4 e 137 264 etot -6.7448E+01 mv 2 100 101 32 0 + -1 e 1 274 etot 1.0287E+31 mv 2 100 37 -60 0 + 4 e 301 239 etot -8.9670E+01 mv 2 100 161 22 0 + 4 e 186 250 etot -8.5526E+01 mv 2 100 167 127 0 + 4 e 239 258 etot -8.0941E+01 mv 2 100 191 -119 0 + 4 e 252 254 etot -8.4389E+01 mv 2 100 11 -180 0 + 4 e 343 244 etot -8.7795E+01 mv 2 100 164 166 0 + 4 e 361 247 etot -7.2761E+01 mv 2 100 167 -152 0 + 4 e 578 232 etot -8.2022E+01 mv 2 100 124 165 0 + 4 e 549 212 etot -8.0562E+01 mv 2 100 52 28 0 + 4 e 211 257 etot -8.0223E+01 mv 2 100 191 -130 0 + 4 e 316 261 etot -7.0607E+01 mv 2 100 101 190 0 + 4 e 309 262 etot -7.8553E+01 mv 2 100 101 175 0 + 4 e 415 248 etot -8.5525E+01 mv 2 100 167 161 0 + 4 e 441 243 etot -8.3582E+01 mv 2 100 164 84 0 + 4 e 328 259 etot -9.0760E+01 mv 2 100 191 -7 0 + 4 e 582 241 etot -8.6522E+01 mv 2 100 164 -128 0 + 4 e 415 253 etot -9.0798E+01 mv 2 100 11 -5 0 + 4 e 116 276 etot -9.0235E+01 mv 2 100 6 72 0 + 4 e 278 256 etot -8.9624E+01 mv 2 100 191 -33 0 + 4 e 141 280 etot -9.0235E+01 mv 2 100 6 -66 0 + -1 e 1 294 etot 1.3528E+20 mv 2 100 135 -144 0 + 4 e 334 249 etot -8.4004E+01 mv 2 100 167 162 0 + -1 e 1 296 etot 1.3528E+20 mv 2 100 59 66 0 + -1 e 1 297 etot 1.3528E+20 mv 2 100 59 40 0 + 4 e 411 263 etot -7.9397E+01 mv 2 100 101 72 0 + 4 e 211 268 etot -8.9187E+01 mv 2 100 197 -10 0 + 4 e 500 251 etot -8.6227E+01 mv 2 100 11 56 0 + 4 e 280 272 etot -8.9074E+01 mv 2 100 37 -133 0 + 4 e 574 246 etot -8.3594E+01 mv 2 100 167 -50 0 + 4 e 302 275 etot -8.9074E+01 mv 2 100 37 -151 0 + 4 e 296 278 etot -7.8039E+01 mv 2 100 6 4 0 + 4 e 381 252 etot -7.1975E+01 mv 2 100 11 -135 0 + 4 e 469 265 etot -7.4761E+01 mv 2 100 101 64 0 + 4 e 282 267 etot -8.9187E+01 mv 2 100 197 153 0 + 4 e 277 281 etot -8.8827E+01 mv 2 100 125 -133 0 + 4 e 294 282 etot -7.7875E+01 mv 2 100 125 -14 0 + 4 e 242 287 etot -9.0276E+01 mv 2 100 54 163 0 + 4 e 199 291 etot -8.8389E+01 mv 2 100 135 172 0 + 4 e 359 279 etot -7.9924E+01 mv 2 100 6 147 0 + 4 e 594 260 etot -8.1524E+01 mv 2 100 191 -2 0 + 4 e 283 285 etot -8.7863E+01 mv 2 100 125 -119 0 + 4 e 146 302 etot -7.2671E+01 mv 1 100 15 2 0 + 4 e 253 290 etot -8.9262E+01 mv 2 100 54 162 0 + 4 e 348 270 etot -8.9186E+01 mv 2 100 197 111 0 + 4 e 342 289 etot -7.4994E+01 mv 2 100 54 -95 0 + 4 e 321 277 etot -8.3496E+01 mv 2 100 6 185 0 + 4 e 182 298 etot -8.8574E+01 mv 2 100 59 -14 0 + 4 e 378 288 etot -7.5623E+01 mv 2 100 54 -178 0 + 4 e 255 301 etot -8.9673E+01 mv 1 100 15 76 0 + 4 e 278 299 etot -7.1988E+01 mv 2 100 59 194 0 + 4 e 217 305 etot -8.9673E+01 mv 1 100 15 168 0 + 4 e 386 273 etot -7.4252E+01 mv 2 100 37 131 0 + -1 e 1 326 etot 1.3528E+20 mv 1 100 95 -14 0 + 4 e 127 316 etot -8.8630E+01 mv 1 100 63 51 0 + 4 e 446 286 etot -8.5091E+01 mv 2 100 54 150 0 + 4 e 272 292 etot -7.5368E+01 mv 2 100 135 -137 0 + 4 e 301 303 etot -8.9673E+01 mv 1 100 15 -37 0 + 4 e 175 306 etot -8.5089E+01 mv 1 100 44 40 0 + 4 e 275 293 etot -8.9394E+01 mv 2 100 135 -16 0 + 4 e 213 311 etot -8.6517E+01 mv 1 100 52 200 0 + 4 e 276 307 etot -8.3293E+01 mv 1 100 44 75 0 + 4 e 293 309 etot -7.2164E+01 mv 1 100 44 -182 0 + 4 e 469 295 etot -8.8679E+01 mv 2 100 135 176 0 + -1 e 1 337 etot 1.3528E+20 mv 1 100 161 184 0 + 4 e 307 312 etot -7.9814E+01 mv 1 100 52 94 0 + 4 e 144 325 etot -8.5016E+01 mv 1 100 75 -131 0 + 4 e 259 317 etot -8.6585E+01 mv 1 100 63 178 0 + -1 e 1 341 etot 1.3528E+20 mv 1 100 164 139 0 + 4 e 227 322 etot -8.5016E+01 mv 1 100 75 76 0 + 4 e 338 313 etot -8.6517E+01 mv 1 100 52 188 0 + 4 e 465 283 etot -6.8398E+01 mv 2 100 125 -185 0 + 4 e 376 315 etot -8.6517E+01 mv 1 100 52 -80 0 + 4 e 396 314 etot -8.0111E+01 mv 1 100 52 40 0 + 4 e 227 318 etot -8.8630E+01 mv 1 100 63 102 0 + 4 e 162 336 etot -8.8986E+01 mv 1 100 161 -21 0 c 161 0.4 0.0 + 4 e 286 323 etot -8.5016E+01 mv 1 100 75 146 0 + 4 e 236 328 etot -8.8038E+01 mv 1 100 95 115 0 c 95 3.6 0.0 + 4 e 600 271 etot -7.7842E+01 mv 2 100 37 -28 0 + -1 e 1 352 etot 1.3528E+20 mv 1 100 11 -5 0 + -1 e 1 353 etot 1.3528E+20 mv 1 100 11 -54 0 + -1 e 1 354 etot 1.3528E+20 mv 1 100 11 152 0 + 4 e 153 340 etot -8.8985E+01 mv 1 100 161 -64 0 + 4 e 311 324 etot -8.3949E+01 mv 1 100 75 145 0 + 4 e 425 300 etot -7.6513E+01 mv 2 100 59 -20 0 + 4 e 501 310 etot -8.3170E+01 mv 1 100 44 -165 0 + -1 e 1 359 etot 1.3528E+20 mv 1 100 191 -188 0 + 4 e 393 319 etot -8.6540E+01 mv 1 100 63 -171 0 + 4 e 122 346 etot -7.9412E+01 mv 1 100 167 34 0 + 4 e 231 339 etot -7.9748E+01 mv 1 100 161 -192 0 + 4 e 325 334 etot -8.7044E+01 mv 1 100 124 -176 0 + -1 e 1 364 etot 1.3528E+20 mv 1 100 101 -200 0 + -1 e 1 365 etot 1.3528E+20 mv 1 100 101 -113 0 + 4 e 348 331 etot -8.4388E+01 mv 1 100 124 175 0 + 4 e 256 338 etot -8.8985E+01 mv 1 100 161 185 0 + 4 e 586 284 etot -7.8604E+01 mv 2 100 125 -30 0 + 4 e 338 321 etot -7.9767E+01 mv 1 100 75 -68 0 + 4 e 246 343 etot -8.6749E+01 mv 1 100 164 -102 0 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-9.0235E+01 mv 1 100 6 27 0 + 4 e 273 358 etot -9.0001E+01 mv 1 100 191 -104 0 + 4 e 183 379 etot -8.9942E+01 mv 1 100 6 159 0 + 4 e 245 376 etot -9.0235E+01 mv 1 100 6 26 0 + 4 e 505 332 etot -8.8663E+01 mv 1 100 124 54 0 + 4 e 352 371 etot -7.5032E+01 mv 1 100 37 -18 0 + 4 e 237 377 etot -9.0024E+01 mv 1 100 6 -29 0 + 4 e 340 372 etot -7.9148E+01 mv 1 100 37 9 0 + 4 e 370 348 etot -8.5697E+01 mv 1 100 167 -172 0 c 167 24.1 0.2 + 4 e 366 355 etot -8.6881E+01 mv 1 100 11 -98 0 + -1 e 1 400 etot 1.3528E+20 mv 1 100 59 -23 0 + 4 e 244 382 etot -8.8141E+01 mv 1 100 125 -48 0 + 4 e 202 383 etot -8.2282E+01 mv 1 100 125 -37 0 + 4 e 213 375 etot -8.7723E+01 mv 1 100 37 -48 0 + 4 e 152 391 etot -8.8680E+01 mv 1 100 135 160 0 + 4 e 180 381 etot -8.8843E+01 mv 1 100 125 82 0 + 4 e 575 351 etot -8.7192E+01 mv 1 100 11 155 0 + 4 e 639 320 etot -8.2911E+01 mv 1 100 63 -54 0 + 4 e 306 370 etot -8.9186E+01 mv 1 100 197 75 0 + 4 e 394 373 etot -7.9147E+01 mv 1 100 37 -9 0 + 4 e 210 389 etot -8.8732E+01 mv 1 100 54 195 0 + 4 e 251 384 etot -8.8843E+01 mv 1 100 125 109 0 + 4 e 257 385 etot -8.8843E+01 mv 1 100 125 -166 0 + 4 e 2 412 etot -9.0761E+01 mv 0 100 191 0 0 + 4 e 2 413 etot -9.0194E+01 mv 0 100 101 0 0 + 4 e 2 414 etot -8.9188E+01 mv 0 100 197 0 0 + 4 e 206 390 etot -8.9262E+01 mv 1 100 54 -169 0 + 4 e 2 415 etot -8.9075E+01 mv 0 100 37 0 0 + 4 e 2 416 etot -9.0235E+01 mv 0 100 6 0 0 + 4 e 2 417 etot -8.8844E+01 mv 0 100 125 0 0 +## N0 total= 19 close= 9 far= 0 %acc 47.4 +## N1 total= 101 close= 5 far= 0 %acc 5.0 +## N2 total= 100 close= 4 far= 0 %acc 4.0 +## N3 total= 0 close= 0 far= 0 %acc 0.0 +## N4 total= 0 close= 0 far= 0 %acc 0.0 +## N5 total= 0 close= 0 far= 0 %acc 0.0 +## N6 total= 200 close= 11 far= 0 %acc 5.5 +## N7 total= 0 close= 0 far= 0 %acc 0.0 +## N8 total= 0 close= 0 far= 0 %acc 0.0 +## N9 total= 0 close= 0 far= 0 %acc 0.0 +##N10 total= 0 close= 0 far= 0 %acc 0.0 +##N11 total= 0 close= 0 far= 0 %acc 0.0 +##N12 total= 0 close= 0 far= 0 %acc 0.0 +##N13 total= 0 close= 0 far= 0 %acc 0.0 +##N14 total= 0 close= 0 far= 0 %acc 0.0 +##N15 total= 0 close= 0 far= 0 %acc 0.0 +##N16 total= 0 close= 0 far= 0 %acc 0.0 +##N17 total= 0 close= 0 far= 0 %acc 0.0 +##N18 total= 0 close= 0 far= 0 %acc 0.0 + Time for refresh 101 0.30 + make_var : nseed= 20 ntry= 420 + Time for make trial 102 0.16 +Nonsetup time 211.79 sec, Eval/s = 58610.34 +Time for iter 102 1.96 sec, Eval/s = 62929.08 + UPDATING 420 + 4 e 736 366 etot -8.7515E+01 mv 1 100 197 199 0 + 4 e 426 388 etot -8.9260E+01 mv 1 100 54 57 0 + 4 e 85 410 etot -8.5526E+01 mv 0 100 167 0 0 + 4 e 10 419 etot -8.8680E+01 mv 0 100 135 0 0 c 135 0.0 0.0 + 4 e 216 396 etot -8.7263E+01 mv 1 100 59 -123 0 + 4 e 514 387 etot -7.3519E+01 mv 1 100 54 -147 0 + 4 e 2 420 etot -8.8574E+01 mv 0 100 59 0 0 + 4 e 99 402 etot -8.5089E+01 mv 0 100 44 0 0 + 4 e 33 411 etot -8.6883E+01 mv 0 100 11 0 0 c 11 0.1 0.0 + 4 e 86 407 etot -9.0931E+01 mv 0 100 124 0 0 + 4 e 570 398 etot -7.9465E+01 mv 1 100 59 135 0 + 4 e 443 386 etot -8.7899E+01 mv 1 100 54 -77 0 + 4 e 313 393 etot -8.8679E+01 mv 1 100 135 -28 0 + 4 e 693 367 etot -7.5631E+01 mv 1 100 197 -163 0 + 4 e 60 405 etot -8.5017E+01 mv 0 100 75 0 0 c 75 0.2 0.0 + 4 e 128 403 etot -8.6517E+01 mv 0 100 52 0 0 c 52 0.6 0.0 + 4 e 563 397 etot -7.9446E+01 mv 1 100 59 130 0 + 4 e 2 418 etot -8.9262E+01 mv 0 100 54 0 0 + 4 e 497 394 etot -8.8677E+01 mv 1 100 135 1 0 + 4 e 250 395 etot -8.8679E+01 mv 1 100 135 182 0 + -1 e 1 14 etot 1.3528E+20 mv 6 101 44 188 0 + 4 e 131 409 etot -8.6750E+01 mv 0 100 164 0 0 + 4 e 102 406 etot -8.8039E+01 mv 0 100 95 0 0 c 95 1.8 0.0 + 4 e 142 392 etot -7.7529E+01 mv 1 100 135 122 0 + 4 e 471 374 etot -6.0489E+01 mv 1 100 37 -135 0 + 4 e 134 408 etot -8.8986E+01 mv 0 100 161 0 0 c 161 0.3 0.0 + 4 e 53 404 etot -8.8630E+01 mv 0 100 63 0 0 c 63 0.1 0.0 + 4 e 181 401 etot -8.9673E+01 mv 0 100 15 0 0 + 4 e 348 369 etot -8.9186E+01 mv 1 100 197 69 0 + 4 e 389 399 etot -7.2909E+01 mv 1 100 59 -62 0 + 4 e 270 378 etot -7.1894E+01 mv 1 100 6 171 0 + 4 e 697 333 etot -8.8359E+01 mv 1 100 124 40 0 + -1 e 1 32 etot 1.3528E+20 mv 6 101 124 158 0 + -1 e 1 2 etot 1.3528E+20 mv 6 101 15 30 0 + 4 e 156 8 etot -6.9148E+01 mv 6 101 15 166 0 + 4 e 178 19 etot -7.5786E+01 mv 6 101 44 182 0 + -1 e 1 36 etot 1.3528E+20 mv 6 101 124 80 0 + -1 e 1 37 etot 1.3528E+20 mv 6 101 124 108 0 + 4 e 195 4 etot -7.5742E+01 mv 6 101 15 98 0 + -1 e 1 39 etot 1.3528E+20 mv 6 101 124 8 0 + -1 e 1 40 etot 1.3528E+20 mv 6 101 124 24 0 + 4 e 239 30 etot -8.8022E+01 mv 6 101 74 72 0 + 4 e 237 24 etot -8.9527E+01 mv 6 101 74 16 0 c 74 5.4 0.0 + 4 e 264 16 etot -7.8744E+01 mv 6 101 44 131 0 + 4 e 273 9 etot -8.9757E+01 mv 6 101 15 195 0 + 4 e 284 28 etot -8.4882E+01 mv 6 101 74 13 0 + -1 e 1 46 etot 1.3528E+20 mv 6 101 164 113 0 + 4 e 316 34 etot -8.2778E+01 mv 6 101 124 15 0 + 4 e 298 21 etot -8.9282E+01 mv 6 101 74 96 0 + 4 e 323 26 etot -8.9526E+01 mv 6 101 74 60 0 + 4 e 332 5 etot -7.9519E+01 mv 6 101 15 34 0 + -1 e 1 51 etot 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101 42 0 + 4 e 323 334 etot -8.4148E+01 mv 1 101 67 -163 0 + 4 e 149 363 etot -9.0235E+01 mv 1 101 6 128 0 + -1 e 1 379 etot 1.3528E+20 mv 1 101 59 129 0 + 4 e 187 361 etot -9.0235E+01 mv 1 101 6 84 0 + 4 e 555 333 etot -8.2927E+01 mv 1 101 67 12 0 + 4 e 407 330 etot -8.4532E+01 mv 1 101 167 -183 0 + 4 e 141 373 etot -8.8861E+01 mv 1 101 158 -1 0 c 158 0.8 0.0 + -1 e 1 384 etot 1.3528E+20 mv 1 101 135 38 0 + -1 e 1 385 etot 1.3528E+20 mv 1 101 135 27 0 + 4 e 183 360 etot -8.9075E+01 mv 1 101 37 74 0 + 4 e 453 344 etot -8.0930E+01 mv 1 101 101 26 0 + 4 e 326 356 etot -7.4253E+01 mv 1 101 37 115 0 + 4 e 251 352 etot -7.9704E+01 mv 1 101 197 163 0 + 4 e 360 353 etot -7.9494E+01 mv 1 101 197 -33 0 + 4 e 332 358 etot -8.9073E+01 mv 1 101 37 129 0 + 4 e 191 366 etot -8.8871E+01 mv 1 101 13 158 0 + 4 e 260 357 etot -7.1343E+01 mv 1 101 37 169 0 + 4 e 346 362 etot -8.3801E+01 mv 1 101 6 -182 0 + 4 e 534 329 etot -8.4173E+01 mv 1 101 167 -110 0 + 4 e 323 367 etot -8.8277E+01 mv 1 101 13 -74 0 + 4 e 185 381 etot -8.8680E+01 mv 1 101 135 -54 0 + -1 e 1 398 etot 1.3528E+20 mv 1 101 125 -127 0 + 4 e 166 378 etot -8.8574E+01 mv 1 101 59 85 0 + 4 e 444 354 etot -7.5748E+01 mv 1 101 197 -109 0 + 4 e 339 369 etot -7.3526E+01 mv 1 101 13 111 0 + 4 e 211 382 etot -8.7338E+01 mv 1 101 135 -74 0 + 4 e 467 351 etot -8.7003E+01 mv 1 101 197 -126 0 + 4 e 303 372 etot -8.8860E+01 mv 1 101 158 -180 0 + 4 e 392 364 etot -9.0849E+01 mv 1 101 6 79 0 + 4 e 305 374 etot -8.6209E+01 mv 1 101 158 5 0 + 4 e 2 407 etot -8.6731E+01 mv 0 101 67 0 0 + 4 e 2 408 etot -9.0761E+01 mv 0 101 191 0 0 + 4 e 359 350 etot -8.9445E+01 mv 1 101 65 119 0 + 4 e 2 409 etot -9.0194E+01 mv 0 101 101 0 0 + 4 e 2 411 etot -8.9188E+01 mv 0 101 197 0 0 + 4 e 2 412 etot -8.9075E+01 mv 0 101 37 0 0 + 4 e 345 355 etot -8.9187E+01 mv 1 101 197 113 0 + 4 e 2 413 etot -9.0235E+01 mv 0 101 6 0 0 + 4 e 10 410 etot -8.9446E+01 mv 0 101 65 0 0 c 65 0.0 0.0 + 4 e 2 414 etot -8.8871E+01 mv 0 101 13 0 0 + 4 e 2 416 etot -8.8574E+01 mv 0 101 59 0 0 + 4 e 2 418 etot -8.9262E+01 mv 0 101 54 0 0 + 4 e 10 417 etot -8.8680E+01 mv 0 101 135 0 0 +## N0 total= 25 close= 8 far= 0 %acc 32.0 +## N1 total= 95 close= 5 far= 0 %acc 5.3 +## N2 total= 100 close= 3 far= 0 %acc 3.0 +## N3 total= 0 close= 0 far= 0 %acc 0.0 +## N4 total= 0 close= 0 far= 0 %acc 0.0 +## N5 total= 0 close= 0 far= 0 %acc 0.0 +## N6 total= 200 close= 3 far= 0 %acc 1.5 +## N7 total= 0 close= 0 far= 0 %acc 0.0 +## N8 total= 0 close= 0 far= 0 %acc 0.0 +## N9 total= 0 close= 0 far= 0 %acc 0.0 +##N10 total= 0 close= 0 far= 0 %acc 0.0 +##N11 total= 0 close= 0 far= 0 %acc 0.0 +##N12 total= 0 close= 0 far= 0 %acc 0.0 +##N13 total= 0 close= 0 far= 0 %acc 0.0 +##N14 total= 0 close= 0 far= 0 %acc 0.0 +##N15 total= 0 close= 0 far= 0 %acc 0.0 +##N16 total= 0 close= 0 far= 0 %acc 0.0 +##N17 total= 0 close= 0 far= 0 %acc 0.0 +##N18 total= 0 close= 0 far= 0 %acc 0.0 + Time for refresh 102 0.29 + make_var : nseed= 20 ntry= 420 + Time for make trial 103 0.09 +Nonsetup time 213.65 sec, Eval/s = 58654.93 +Time for iter 103 1.86 sec, Eval/s = 63723.07 + UPDATING 420 + 4 e 369 389 etot -8.3900E+01 mv 1 101 54 50 0 + 4 e 124 403 etot -8.9527E+01 mv 0 101 74 0 0 + 4 e 251 386 etot -8.9262E+01 mv 1 101 54 39 0 + 4 e 618 392 etot -8.3987E+01 mv 1 101 128 -67 0 + 4 e 116 406 etot -8.5698E+01 mv 0 101 167 0 0 c 167 0.5 0.0 + 4 e 245 391 etot -8.8538E+01 mv 1 101 128 100 0 + 4 e 67 415 etot -8.8861E+01 mv 0 101 158 0 0 c 158 0.6 0.0 + 4 e 410 380 etot -8.8573E+01 mv 1 101 59 -155 0 + 4 e 140 405 etot -8.6837E+01 mv 0 101 164 0 0 c 164 0.9 0.0 + 4 e 495 376 etot -7.8252E+01 mv 1 101 59 -130 0 + 4 e 402 371 etot -8.6701E+01 mv 1 101 158 -108 0 + 4 e 242 388 etot -8.9200E+01 mv 1 101 54 60 0 + 4 e 363 395 etot -8.8729E+01 mv 1 101 128 197 0 c 128 111.9 0.2 + 4 e 116 404 etot -9.1015E+01 mv 0 101 124 0 0 c 124 1.9 0.0 + 4 e 119 401 etot -8.9814E+01 mv 0 101 15 0 0 + 4 e 396 375 etot -7.7861E+01 mv 1 101 158 169 0 + 4 e 356 397 etot -7.5154E+01 mv 1 101 125 147 0 + -1 e 1 10 etot 1.3528E+20 mv 6 102 15 183 0 + 4 e 103 402 etot -8.5438E+01 mv 0 101 44 0 0 + 4 e 263 399 etot -8.0301E+01 mv 1 101 125 -118 0 + 4 e 211 390 etot -8.9262E+01 mv 1 101 54 120 0 + 4 e 206 396 etot -8.8843E+01 mv 1 101 125 -62 0 + 4 e 205 393 etot -8.6615E+01 mv 1 101 128 -158 0 + 4 e 468 349 etot -7.8938E+01 mv 1 101 65 163 0 + 4 e 20 419 etot -8.8538E+01 mv 0 101 128 0 0 + 4 e 169 383 etot -8.8680E+01 mv 1 101 135 155 0 + 4 e 293 377 etot -8.5166E+01 mv 1 101 59 -49 0 + 4 e 285 370 etot -8.8871E+01 mv 1 101 13 99 0 + 4 e 471 387 etot -8.3311E+01 mv 1 101 54 -129 0 + 4 e 136 400 etot -8.8844E+01 mv 1 101 125 -164 0 + 4 e 458 394 etot -8.0863E+01 mv 1 101 128 89 0 + -1 e 1 26 etot 1.3528E+20 mv 6 102 74 96 0 + 4 e 2 420 etot -8.8844E+01 mv 0 101 125 0 0 + -1 e 1 33 etot 1.3528E+20 mv 6 102 133 117 0 + -1 e 1 15 etot 1.3528E+20 mv 6 102 44 200 0 + 4 e 209 23 etot -7.2871E+01 mv 6 102 74 154 0 + 4 e 222 24 etot -8.8071E+01 mv 6 102 74 45 0 c 90 127.5 0.0 + 4 e 267 3 etot -8.9958E+01 mv 6 102 15 26 0 c 15 61.3 0.0 + 4 e 233 16 etot -7.9842E+01 mv 6 102 44 17 0 + 4 e 229 28 etot -8.9546E+01 mv 6 102 74 101 0 c 74 2.4 0.0 + 4 e 211 11 etot -8.4263E+01 mv 6 102 44 10 0 + 4 e 237 32 etot -8.7100E+01 mv 6 102 133 197 0 + -1 e 1 41 etot 1.3528E+20 mv 6 102 70 50 0 + -1 e 1 43 etot 1.3528E+20 mv 6 102 70 160 0 + 4 e 234 20 etot -8.5639E+01 mv 6 102 44 17 0 c 44 5.2 0.0 + 4 e 237 19 etot -8.4263E+01 mv 6 102 44 50 0 + -1 e 1 46 etot 1.3528E+20 mv 6 102 70 139 0 + 4 e 251 4 etot -8.9934E+01 mv 6 102 15 139 0 + 4 e 255 27 etot -8.9546E+01 mv 6 102 74 177 0 + 4 e 260 30 etot -8.9546E+01 mv 6 102 74 89 0 + 4 e 276 9 etot -8.7002E+01 mv 6 102 15 62 0 + 4 e 280 6 etot -9.2302E+01 mv 6 102 15 87 0 + 4 e 293 7 etot -8.4211E+01 mv 6 102 15 162 0 + 4 e 298 22 etot -9.0734E+01 mv 6 102 74 110 0 + -1 e 1 54 etot 1.3528E+20 mv 6 102 101 66 0 + 4 e 304 17 etot -8.1543E+01 mv 6 102 44 115 0 + 4 e 277 18 etot -8.5639E+01 mv 6 102 44 165 0 c 44 1.9 0.0 + -1 e 1 56 etot 1.3528E+20 mv 6 102 101 47 0 + 4 e 301 12 etot -8.5179E+01 mv 6 102 44 63 0 + 4 e 437 2 etot -8.9066E+01 mv 6 102 15 164 0 + 4 e 328 29 etot -7.6827E+01 mv 6 102 74 122 0 + -1 e 1 61 etot 1.3528E+20 mv 6 102 54 106 0 + 4 e 342 35 etot -8.6444E+01 mv 6 102 133 109 0 + 4 e 356 14 etot -8.8740E+01 mv 6 102 44 124 0 + 4 e 363 34 etot -8.6208E+01 mv 6 102 133 58 0 + 4 e 57 64 etot -8.6939E+01 mv 6 102 54 97 0 c 97 0.1 0.0 + 4 e 401 8 etot -8.4206E+01 mv 6 102 15 200 0 + 4 e 274 38 etot -8.6225E+01 mv 6 102 133 21 0 + -1 e 1 67 etot 1.3528E+20 mv 6 102 54 132 0 + -1 e 1 69 etot 1.3528E+20 mv 6 102 54 105 0 + 4 e 447 25 etot -7.9490E+01 mv 6 102 74 163 0 + 4 e 459 21 etot -8.5857E+01 mv 6 102 74 144 0 + 4 e 604 1 etot -8.6992E+01 mv 6 102 15 87 0 f 75 326.2 2.0 + 4 e 514 13 etot -8.5243E+01 mv 6 102 44 104 0 + 4 e 171 58 etot -7.2747E+01 mv 6 102 101 144 0 + 4 e 250 42 etot -8.6436E+01 mv 6 102 70 160 0 + 4 e 498 5 etot -8.5006E+01 mv 6 102 15 48 0 + 4 e 271 60 etot -7.9096E+01 mv 6 102 101 164 0 + 4 e 256 63 etot -7.1140E+01 mv 6 102 54 74 0 + 4 e 325 37 etot -6.9281E+01 mv 6 102 133 150 0 + 4 e 560 31 etot -8.5775E+01 mv 6 102 133 13 0 + -1 e 1 81 etot 1.3528E+20 mv 6 102 37 199 0 + 4 e 257 52 etot -9.0193E+01 mv 6 102 101 199 0 + 4 e 313 49 etot -8.8156E+01 mv 6 102 70 32 0 + 4 e 343 40 etot -8.6551E+01 mv 6 102 133 47 0 + 4 e 337 50 etot -8.6804E+01 mv 6 102 70 165 0 + 4 e 328 55 etot -8.5813E+01 mv 6 102 101 108 0 + 4 e 380 47 etot -8.4540E+01 mv 6 102 70 120 0 + 4 e 2 87 etot -8.8844E+01 mv 6 102 37 125 0 + 4 e 377 45 etot -8.0881E+01 mv 6 102 70 22 0 + 4 e 329 70 etot -8.0947E+01 mv 6 102 54 87 0 + 4 e 450 51 etot -8.9213E+01 mv 6 102 101 123 0 + 4 e 518 44 etot -6.6745E+01 mv 6 102 70 187 0 + 4 e 506 59 etot -7.6057E+01 mv 6 102 101 184 0 + 4 e 446 48 etot -8.4205E+01 mv 6 102 70 66 0 + 4 e 311 62 etot -9.0287E+01 mv 6 102 54 32 0 + 4 e 497 57 etot -9.0192E+01 mv 6 102 101 152 0 + 4 e 443 66 etot -8.0367E+01 mv 6 102 54 90 0 + 4 e 485 53 etot -8.3589E+01 mv 6 102 101 74 0 + 4 e 308 79 etot -8.9187E+01 mv 6 102 197 171 0 + 4 e 284 72 etot -7.8952E+01 mv 6 102 197 175 0 + 4 e 383 77 etot -8.7004E+01 mv 6 102 197 113 0 + 4 e 231 80 etot -8.4991E+01 mv 6 102 197 138 0 + 4 e 404 75 etot -8.5996E+01 mv 6 102 197 189 0 + 4 e 237 94 etot -9.0235E+01 mv 6 102 6 14 0 + 4 e 291 91 etot -8.5801E+01 mv 6 102 6 146 0 + 4 e 144 96 etot -9.0235E+01 mv 6 102 6 114 0 + 4 e 364 76 etot -8.3950E+01 mv 6 102 197 161 0 + -1 e 1 108 etot 2.0771E+20 mv 6 102 115 55 0 + 4 e 312 92 etot -8.5450E+01 mv 6 102 6 136 0 + 4 e 301 95 etot -8.7380E+01 mv 6 102 6 20 0 + 4 e 251 97 etot -7.9868E+01 mv 6 102 6 87 0 + 4 e 595 74 etot -8.9184E+01 mv 6 102 197 147 0 + 4 e 260 98 etot -8.7206E+01 mv 6 102 6 45 0 + 4 e 768 39 etot -8.0142E+01 mv 6 102 133 37 0 + 4 e 345 88 etot -8.2008E+01 mv 6 102 37 174 0 + 4 e 645 36 etot -7.5916E+01 mv 6 102 133 188 0 + 4 e 448 71 etot -7.5799E+01 mv 6 102 197 101 0 + -1 e 1 113 etot 1.3528E+20 mv 6 102 13 64 0 + 4 e 300 84 etot -7.4700E+01 mv 6 102 37 52 0 + -1 e 1 120 etot 1.3528E+20 mv 6 102 13 158 0 + 4 e 18 115 etot -8.9668E+01 mv 6 102 13 77 0 c 77 0.0 0.0 + 4 e 457 65 etot -8.4552E+01 mv 6 102 54 48 0 + 4 e 497 83 etot -7.9518E+01 mv 6 102 37 188 0 + 4 e 369 82 etot -8.8274E+01 mv 6 102 37 79 0 + 4 e 412 93 etot -8.5642E+01 mv 6 102 6 60 0 + -1 e 1 126 etot 1.3528E+20 mv 6 102 125 67 0 + 4 e 380 85 etot -8.0402E+01 mv 6 102 37 68 0 + 4 e 233 102 etot -7.5717E+01 mv 6 102 115 105 0 + 4 e 354 86 etot -8.4848E+01 mv 6 102 37 196 0 + -1 e 1 130 etot 1.3528E+20 mv 6 102 125 90 0 + 4 e 466 90 etot -7.7414E+01 mv 6 102 37 117 0 + 4 e 173 68 etot -8.9262E+01 mv 6 102 54 32 0 + 4 e 370 99 etot -8.6523E+01 mv 6 102 6 105 0 + 4 e 273 104 etot -8.0168E+01 mv 6 102 115 170 0 + -1 e 1 135 etot 1.3528E+20 mv 6 102 161 123 0 + 4 e 200 73 etot -8.9187E+01 mv 6 102 197 107 0 + -1 e 1 137 etot 1.3528E+20 mv 6 102 161 20 0 + 4 e 250 106 etot -9.0761E+01 mv 6 102 115 30 0 + 4 e 283 105 etot -8.9602E+01 mv 6 102 115 106 0 + 4 e 302 110 etot -8.3085E+01 mv 6 102 115 35 0 + 4 e 212 107 etot -8.1786E+01 mv 6 102 115 82 0 + 4 e 315 116 etot -8.4003E+01 mv 6 102 13 163 0 + 4 e 306 122 etot -9.0153E+01 mv 6 102 125 106 0 + 4 e 416 89 etot -8.2379E+01 mv 6 102 37 79 0 + 4 e 532 100 etot -9.1845E+01 mv 6 102 6 190 0 + 4 e 229 121 etot -8.8843E+01 mv 6 102 125 148 0 + 4 e 375 111 etot -7.4671E+01 mv 6 102 13 97 0 + 4 e 341 101 etot -8.8222E+01 mv 6 102 115 197 0 + 4 e 279 109 etot -8.7737E+01 mv 6 102 115 91 0 + 4 e 273 129 etot -8.8843E+01 mv 6 102 125 109 0 + 4 e 175 140 etot -8.9330E+01 mv 6 102 161 145 0 c 161 23.7 0.3 + 4 e 301 103 etot -8.7736E+01 mv 6 102 115 32 0 + 4 e 23 151 etot -8.6820E+01 mv 6 102 135 36 0 c 36 0.0 0.0 + 4 e 270 133 etot -8.8877E+01 mv 6 102 161 3 0 + 4 e 324 132 etot -8.8876E+01 mv 6 102 161 22 0 + 4 e 445 112 etot -7.4135E+01 mv 6 102 13 167 0 + 4 e 291 134 etot -8.8985E+01 mv 6 102 161 62 0 + 4 e 292 138 etot -8.6563E+01 mv 6 102 161 94 0 + 4 e 249 128 etot -8.2282E+01 mv 6 102 125 30 0 + 4 e 445 119 etot -8.3369E+01 mv 6 102 13 16 0 + 4 e 286 139 etot -8.8985E+01 mv 6 102 161 73 0 + -1 e 1 162 etot 1.3528E+20 mv 6 102 59 183 0 + 4 e 266 131 etot -7.1111E+01 mv 6 102 161 138 0 + 4 e 495 114 etot -7.8460E+01 mv 6 102 13 77 0 + 4 e 141 148 etot -8.2244E+01 mv 6 102 81 130 0 + -1 e 1 165 etot 1.3528E+20 mv 6 102 59 120 0 + 4 e 184 144 etot -8.8634E+01 mv 6 102 81 137 0 + 4 e 412 127 etot -8.8827E+01 mv 6 102 125 84 0 + 4 e 246 141 etot -8.8735E+01 mv 6 102 81 164 0 c 81 25.2 0.1 + 4 e 310 123 etot -8.8843E+01 mv 6 102 125 161 0 + 4 e 375 118 etot -8.4226E+01 mv 6 102 13 68 0 + 4 e 521 124 etot -8.3808E+01 mv 6 102 125 3 0 + 4 e 217 152 etot -8.0534E+01 mv 6 102 135 2 0 + 4 e 500 78 etot -7.8488E+01 mv 6 102 197 45 0 + 4 e 297 146 etot -8.8633E+01 mv 6 102 81 125 0 + -1 e 1 176 etot 3.0472E+21 mv 6 102 128 20 0 + -1 e 1 177 etot 1.3528E+20 mv 6 102 128 42 0 + 4 e 203 142 etot -8.8634E+01 mv 6 102 81 93 0 + 4 e 327 143 etot -8.8198E+01 mv 6 102 81 145 0 + 4 e 476 136 etot -7.7655E+01 mv 6 102 161 3 0 + -1 e 1 181 etot 1.3528E+20 mv 6 102 158 61 0 + 4 e 254 154 etot -9.0849E+01 mv 6 102 135 170 0 + -1 e 1 183 etot 1.3528E+20 mv 6 102 158 70 0 + 4 e 197 159 etot -7.2026E+01 mv 6 102 135 51 0 + -1 e 1 185 etot 1.3528E+20 mv 6 102 158 132 0 + -1 e 1 186 etot 1.3528E+20 mv 6 102 158 191 0 + 4 e 167 168 etot -7.9823E+01 mv 6 102 59 97 0 + 4 e 435 125 etot -7.8005E+01 mv 6 102 125 22 0 + 4 e 440 117 etot -7.9523E+01 mv 6 102 13 93 0 + 4 e 259 147 etot -8.7045E+01 mv 6 102 81 183 0 + 4 e 248 166 etot -8.7634E+01 mv 6 102 59 97 0 + 4 e 259 167 etot -7.5547E+01 mv 6 102 59 157 0 + 4 e 13 192 etot -8.6715E+01 mv 6 102 187 188 0 c 188 0.0 0.0 + 4 e 314 157 etot -8.2052E+01 mv 6 102 135 91 0 + 4 e 296 161 etot -8.4119E+01 mv 6 102 59 24 0 + 4 e 287 163 etot -8.5841E+01 mv 6 102 59 12 0 + 4 e 290 150 etot -8.8633E+01 mv 6 102 81 52 0 + 4 e 308 170 etot -8.8347E+01 mv 6 102 59 158 0 + 4 e 420 155 etot -8.5674E+01 mv 6 102 135 71 0 + 4 e 216 180 etot -8.9559E+01 mv 6 102 128 47 0 + 4 e 359 169 etot -7.7139E+01 mv 6 102 59 121 0 + 4 e 221 182 etot -8.6815E+01 mv 6 102 158 53 0 c 103 136.6 0.0 + 4 e 355 145 etot -8.0417E+01 mv 6 102 81 141 0 + 4 e 337 149 etot -8.7499E+01 mv 6 102 81 196 0 + 4 e 259 188 etot -7.8467E+01 mv 6 102 158 87 0 + 4 e 302 178 etot -8.7478E+01 mv 6 102 128 1 0 + 4 e 186 193 etot -8.5696E+01 mv 6 102 187 72 0 + 4 e 367 173 etot -8.9603E+01 mv 6 102 128 70 0 + 4 e 352 175 etot -8.3070E+01 mv 6 102 128 116 0 + 4 e 519 156 etot -7.9231E+01 mv 6 102 135 71 0 + 4 e 202 196 etot -8.8508E+01 mv 6 102 187 12 0 + 4 e 200 195 etot -8.7944E+01 mv 6 102 187 91 0 + 4 e 363 153 etot -8.4812E+01 mv 6 102 135 199 0 + -1 e 1 214 etot 1.4895E+22 mv 2 102 74 92 0 + -1 e 1 215 etot 1.3528E+20 mv 2 102 74 -2 0 + 4 e 167 201 etot -6.8288E+01 mv 2 102 15 -200 0 + 4 e 177 200 etot -8.7562E+01 mv 6 102 187 44 0 + 4 e 360 164 etot -8.8346E+01 mv 6 102 59 108 0 + 4 e 281 194 etot -8.9755E+01 mv 6 102 187 195 0 + 4 e 584 158 etot -9.0079E+01 mv 6 102 135 193 0 + 4 e 357 171 etot -7.9221E+01 mv 6 102 128 147 0 + 4 e 194 198 etot -7.9375E+01 mv 6 102 187 129 0 + 4 e 475 174 etot -9.1216E+01 mv 6 102 128 135 0 + 4 e 163 206 etot -7.0279E+01 mv 2 102 44 79 0 + 4 e 150 208 etot -8.5640E+01 mv 2 102 44 -15 0 c 44 3.1 0.0 + 4 e 266 189 etot -8.5408E+01 mv 6 102 158 88 0 + 4 e 449 160 etot -8.4958E+01 mv 6 102 135 71 0 + 4 e 284 191 etot -8.6850E+01 mv 6 102 187 183 0 + 4 e 493 184 etot -7.7688E+01 mv 6 102 158 199 0 + 4 e 137 218 etot -8.7101E+01 mv 2 102 133 188 0 c 133 1.2 0.0 + 4 e 513 187 etot -9.0592E+01 mv 6 102 158 126 0 + 4 e 274 207 etot -8.2194E+01 mv 2 102 44 -128 0 + 4 e 440 172 etot -8.6492E+01 mv 6 102 128 121 0 + 4 e 228 212 etot -8.7690E+01 mv 2 102 74 -90 0 + 4 e 404 199 etot -7.6572E+01 mv 6 102 187 84 0 + 4 e 365 203 etot -8.5670E+01 mv 2 102 15 25 0 + 4 e 243 213 etot -8.8085E+01 mv 2 102 74 -52 0 + 4 e 386 202 etot -8.8606E+01 mv 2 102 15 -91 0 + 4 e 238 204 etot -8.9934E+01 mv 2 102 15 48 0 + 4 e 144 230 etot -9.0193E+01 mv 2 102 101 -40 0 + 4 e 469 179 etot -7.8740E+01 mv 6 102 128 146 0 + 4 e 342 210 etot -8.5638E+01 mv 2 102 44 -72 0 + 4 e 285 220 etot -8.2827E+01 mv 2 102 133 35 0 + 4 e 290 221 etot -8.4976E+01 mv 2 102 70 -152 0 + 4 e 172 232 etot -8.9262E+01 mv 2 102 54 78 0 + 4 e 370 217 etot -8.6960E+01 mv 2 102 133 -140 0 + 4 e 635 197 etot -7.6980E+01 mv 6 102 187 196 0 + 4 e 176 229 etot -7.0862E+01 mv 2 102 101 -16 0 + 4 e 477 209 etot -8.0371E+01 mv 2 102 44 -28 0 + 4 e 209 228 etot -8.8754E+01 mv 2 102 101 -96 0 + 4 e 342 226 etot -8.7415E+01 mv 2 102 101 -55 0 + 4 e 265 233 etot -8.8853E+01 mv 2 102 54 -129 0 + 4 e 324 216 etot -7.6427E+01 mv 2 102 133 78 0 + 4 e 418 225 etot -8.6435E+01 mv 2 102 70 19 0 + 4 e 162 246 etot -9.0235E+01 mv 2 102 6 -143 0 + 4 e 307 235 etot -8.9261E+01 mv 2 102 54 -132 0 + 4 e 560 211 etot -8.7836E+01 mv 2 102 74 -80 0 + 4 e 381 231 etot -6.7851E+01 mv 2 102 54 -181 0 + 4 e 334 238 etot -8.9187E+01 mv 2 102 197 -49 0 + -1 e 1 260 etot 6.4424E+28 mv 2 102 13 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244 etot -7.9077E+01 mv 2 102 37 138 0 + 4 e 419 245 etot -8.7584E+01 mv 2 102 37 190 0 + 4 e 491 222 etot -8.6435E+01 mv 2 102 70 -16 0 + 4 e 496 223 etot -6.8919E+01 mv 2 102 70 -179 0 + 4 e 236 261 etot -7.4406E+01 mv 2 102 125 -161 0 + 4 e 420 247 etot -9.0688E+01 mv 2 102 6 -44 0 + 4 e 239 262 etot -8.8843E+01 mv 2 102 125 197 0 + 4 e 303 256 etot -8.8827E+01 mv 2 102 13 -54 0 c 190 51.4 0.1 + 4 e 604 205 etot -8.8157E+01 mv 2 102 15 45 0 + 4 e 222 264 etot -7.2813E+01 mv 2 102 125 68 0 + 4 e 148 280 etot -8.8680E+01 mv 2 102 135 10 0 + 4 e 305 266 etot -8.8984E+01 mv 2 102 161 -112 0 + 4 e 388 259 etot -8.3391E+01 mv 2 102 13 169 0 + 4 e 306 270 etot -7.8661E+01 mv 2 102 161 -60 0 + 4 e 242 275 etot -8.8634E+01 mv 2 102 81 -61 0 + 4 e 322 267 etot -8.6647E+01 mv 2 102 161 94 0 + 4 e 322 254 etot -8.9386E+01 mv 2 102 115 -134 0 + 4 e 410 249 etot -7.9325E+01 mv 2 102 6 81 0 + 4 e 221 282 etot -8.8574E+01 mv 2 102 59 145 0 + 4 e 252 279 etot -8.8256E+01 mv 2 102 135 84 0 + 4 e 457 258 etot -8.8870E+01 mv 2 102 13 41 0 + 4 e 210 277 etot -8.7535E+01 mv 2 102 135 -46 0 + 4 e 229 274 etot -8.7188E+01 mv 2 102 81 -56 0 + 4 e 131 293 etot -8.8861E+01 mv 2 102 158 -82 0 + 4 e 159 290 etot -7.2452E+01 mv 2 102 128 102 0 + 4 e 296 268 etot -7.4879E+01 mv 2 102 161 -122 0 + 4 e 226 278 etot -8.7338E+01 mv 2 102 135 -190 0 + 4 e 465 265 etot -8.8841E+01 mv 2 102 125 -52 0 + 4 e 437 271 etot -8.3090E+01 mv 2 102 81 -32 0 + 4 e 171 295 etot -8.8861E+01 mv 2 102 158 56 0 + 4 e 573 240 etot -8.0846E+01 mv 2 102 197 -33 0 + 4 e 422 276 etot -8.2482E+01 mv 2 102 135 48 0 + 4 e 257 292 etot -7.5402E+01 mv 2 102 158 87 0 + 4 e 184 300 etot -8.2608E+01 mv 2 102 187 -63 0 + 4 e 365 287 etot -8.9355E+01 mv 2 102 128 -118 0 c 128 87.2 0.6 + -1 e 1 316 etot 1.3528E+20 mv 1 102 133 -134 0 + 4 e 374 288 etot -7.8923E+01 mv 2 102 128 140 0 + 4 e 413 283 etot -7.2835E+01 mv 2 102 59 -111 0 + 4 e 238 296 etot -8.8508E+01 mv 2 102 187 -72 0 + 4 e 408 286 etot -7.7294E+01 mv 2 102 128 131 0 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etot -9.1813E+01 mv 1 102 74 52 0 + 4 e 263 324 etot -8.7107E+01 mv 1 102 70 -127 0 + 4 e 324 320 etot -8.7100E+01 mv 1 102 133 140 0 + 4 e 543 302 etot -8.8413E+01 mv 1 102 15 -85 0 + 4 e 357 304 etot -9.0036E+01 mv 1 102 15 193 0 c 15 62.7 0.1 + 4 e 321 322 etot -8.6436E+01 mv 1 102 70 -81 0 + 4 e 260 328 etot -8.9665E+01 mv 1 102 101 -116 0 + 4 e 409 315 etot -8.9545E+01 mv 1 102 74 -14 0 + 4 e 182 331 etot -8.9262E+01 mv 1 102 54 171 0 + 4 e 379 303 etot -7.8086E+01 mv 1 102 15 -178 0 + 4 e 786 289 etot -8.3105E+01 mv 2 102 128 198 0 + 4 e 368 321 etot -8.6020E+01 mv 1 102 70 -91 0 + 4 e 220 326 etot -9.0193E+01 mv 1 102 101 86 0 + 4 e 377 325 etot -8.6436E+01 mv 1 102 70 28 0 + 4 e 572 310 etot -7.8760E+01 mv 1 102 44 128 0 + 4 e 174 343 etot -8.9075E+01 mv 1 102 37 -85 0 + 4 e 420 327 etot -8.5692E+01 mv 1 102 101 -54 0 + 4 e 328 332 etot -8.8731E+01 mv 1 102 54 -15 0 + 4 e 305 336 etot -8.9187E+01 mv 1 102 197 41 0 + 4 e 235 334 etot -7.8247E+01 mv 1 102 54 193 0 + 4 e 368 330 etot -8.6497E+01 mv 1 102 101 -53 0 + 4 e 487 306 etot -8.0308E+01 mv 1 102 44 -52 0 + 4 e 488 307 etot -8.5630E+01 mv 1 102 44 -74 0 + 4 e 468 329 etot -8.0674E+01 mv 1 102 101 49 0 + 4 e 358 338 etot -8.8727E+01 mv 1 102 197 124 0 + 4 e 193 341 etot -8.9075E+01 mv 1 102 37 107 0 + 4 e 294 342 etot -8.6267E+01 mv 1 102 37 35 0 + 4 e 267 345 etot -8.8886E+01 mv 1 102 37 -51 0 + 4 e 279 333 etot -7.4436E+01 mv 1 102 54 -102 0 + 4 e 306 344 etot -8.9073E+01 mv 1 102 37 23 0 + 4 e 276 350 etot -9.0234E+01 mv 1 102 6 -174 0 + 4 e 266 352 etot -8.9617E+01 mv 1 102 115 187 0 + 4 e 262 353 etot -8.9617E+01 mv 1 102 115 41 0 + 4 e 197 351 etot -8.9617E+01 mv 1 102 115 -181 0 + 4 e 708 317 etot -7.1087E+01 mv 1 102 133 -196 0 + 4 e 130 362 etot -8.0462E+01 mv 1 102 125 153 0 + 4 e 184 355 etot -8.9617E+01 mv 1 102 115 110 0 + 4 e 331 348 etot -9.0024E+01 mv 1 102 6 161 0 + 4 e 186 358 etot -8.8871E+01 mv 1 102 13 -136 0 + 4 e 253 356 etot -8.8871E+01 mv 1 102 13 18 0 + 4 e 270 357 etot -8.8871E+01 mv 1 102 13 10 0 + 4 e 123 371 etot -8.8634E+01 mv 1 102 81 47 0 + 4 e 386 349 etot -8.2606E+01 mv 1 102 6 -72 0 + -1 e 1 384 etot 1.3528E+20 mv 1 102 59 -161 0 + 4 e 431 347 etot -8.1141E+01 mv 1 102 6 -183 0 + 4 e 207 365 etot -7.3577E+01 mv 1 102 125 -152 0 + 4 e 249 359 etot -8.7442E+01 mv 1 102 13 120 0 + 4 e 321 346 etot -8.9853E+01 mv 1 102 6 161 0 + 4 e 417 335 etot -7.8246E+01 mv 1 102 54 190 0 + 4 e 289 360 etot -8.8870E+01 mv 1 102 13 78 0 + 4 e 303 354 etot -7.3671E+01 mv 1 102 115 65 0 + 4 e 187 373 etot -8.8313E+01 mv 1 102 81 161 0 + 4 e 222 361 etot -8.8141E+01 mv 1 102 125 -31 0 + 4 e 198 374 etot -8.8634E+01 mv 1 102 81 54 0 + 4 e 420 339 etot -8.7002E+01 mv 1 102 197 -42 0 + 4 e 427 340 etot -8.9186E+01 mv 1 102 197 -114 0 + 4 e 294 369 etot -6.7875E+01 mv 1 102 161 -115 0 + 4 e 188 379 etot -8.8680E+01 mv 1 102 135 120 0 + 4 e 152 382 etot -6.5966E+01 mv 1 102 59 170 0 + 4 e 179 381 etot -8.8574E+01 mv 1 102 59 -167 0 + 4 e 192 375 etot -8.8634E+01 mv 1 102 81 46 0 + 4 e 369 372 etot -8.8634E+01 mv 1 102 81 -139 0 + 4 e 764 312 etot -9.0038E+01 mv 1 102 74 169 0 c 15 30.5 0.0 + 4 e 115 394 etot -7.0670E+01 mv 1 102 158 76 0 + 4 e 350 378 etot -8.9393E+01 mv 1 102 135 -18 0 + 4 e 198 391 etot -8.5290E+01 mv 1 102 158 -64 0 + 4 e 2 406 etot -9.0194E+01 mv 0 102 101 0 0 + 4 e 2 407 etot -8.9262E+01 mv 0 102 54 0 0 + 4 e 2 408 etot -8.9188E+01 mv 0 102 197 0 0 + 4 e 2 409 etot -8.9075E+01 mv 0 102 37 0 0 + 4 e 2 410 etot -9.0235E+01 mv 0 102 6 0 0 + 4 e 2 412 etot -8.8871E+01 mv 0 102 13 0 0 + 4 e 2 413 etot -8.8844E+01 mv 0 102 125 0 0 + 4 e 11 411 etot -8.9617E+01 mv 0 102 115 0 0 c 115 0.0 0.0 + 4 e 355 380 etot -8.8106E+01 mv 1 102 135 -45 0 + 4 e 2 416 etot -8.8680E+01 mv 0 102 135 0 0 + 4 e 12 415 etot -8.8634E+01 mv 0 102 81 0 0 + 4 e 273 388 etot -8.8538E+01 mv 1 102 128 -77 0 + 4 e 2 417 etot -8.8574E+01 mv 0 102 59 0 0 +## N0 total= 20 close= 5 far= 0 %acc 25.0 +## N1 total= 100 close= 3 far= 0 %acc 3.0 +## N2 total= 100 close= 4 far= 0 %acc 4.0 +## N3 total= 0 close= 0 far= 0 %acc 0.0 +## N4 total= 0 close= 0 far= 0 %acc 0.0 +## N5 total= 0 close= 0 far= 0 %acc 0.0 +## N6 total= 200 close= 12 far= 1 %acc 6.5 +## N7 total= 0 close= 0 far= 0 %acc 0.0 +## N8 total= 0 close= 0 far= 0 %acc 0.0 +## N9 total= 0 close= 0 far= 0 %acc 0.0 +##N10 total= 0 close= 0 far= 0 %acc 0.0 +##N11 total= 0 close= 0 far= 0 %acc 0.0 +##N12 total= 0 close= 0 far= 0 %acc 0.0 +##N13 total= 0 close= 0 far= 0 %acc 0.0 +##N14 total= 0 close= 0 far= 0 %acc 0.0 +##N15 total= 0 close= 0 far= 0 %acc 0.0 +##N16 total= 0 close= 0 far= 0 %acc 0.0 +##N17 total= 0 close= 0 far= 0 %acc 0.0 +##N18 total= 0 close= 0 far= 0 %acc 0.0 + Time for refresh 103 0.48 + make_var : nseed= 20 ntry= 420 + Time for make trial 104 0.10 +Nonsetup time 215.82 sec, Eval/s = 58641.10 +Time for iter 104 2.17 sec, Eval/s = 57277.58 + UPDATING 420 + 4 e 223 393 etot -8.8861E+01 mv 1 102 158 114 0 + 4 e 348 386 etot -8.8681E+01 mv 1 102 128 35 0 + 4 e 431 400 etot -8.0876E+01 mv 1 102 187 25 0 + 4 e 331 385 etot -8.0047E+01 mv 1 102 59 -78 0 + 4 e 150 401 etot -8.9934E+01 mv 0 102 15 0 0 + 4 e 26 414 etot -8.8986E+01 mv 0 102 161 0 0 + 4 e 20 418 etot -8.8538E+01 mv 0 102 128 0 0 + 4 e 232 399 etot -8.7562E+01 mv 1 102 187 111 0 + 4 e 74 420 etot -8.8508E+01 mv 0 102 187 0 0 c 187 0.2 0.0 + 4 e 247 395 etot -8.6208E+01 mv 1 102 158 97 0 + 4 e 51 419 etot -8.8861E+01 mv 0 102 158 0 0 c 158 0.4 0.0 + 4 e 737 366 etot -9.0021E+01 mv 1 102 161 170 0 + 4 e 692 377 etot -8.3583E+01 mv 1 102 135 186 0 + 4 e 105 403 etot -8.9547E+01 mv 0 102 74 0 0 c 74 1.3 0.0 + 4 e 521 383 etot -8.6086E+01 mv 1 102 59 -162 0 + 4 e 571 368 etot -8.8984E+01 mv 1 102 161 -67 0 + 4 e 652 387 etot -8.8936E+01 mv 1 102 128 56 0 + 4 e 470 376 etot -7.4750E+01 mv 1 102 135 78 0 + 4 e 401 398 etot -8.8514E+01 mv 1 102 187 -180 0 c 187 13.0 0.0 + 4 e 385 363 etot -7.2124E+01 mv 1 102 125 100 0 + 4 e 86 404 etot -8.7101E+01 mv 0 102 133 0 0 c 133 0.7 0.0 + 4 e 334 367 etot -8.6575E+01 mv 1 102 161 -74 0 + 4 e 228 390 etot -8.6064E+01 mv 1 102 128 -103 0 + 4 e 373 364 etot -7.4064E+01 mv 1 102 125 -46 0 + 4 e 202 397 etot -7.0989E+01 mv 1 102 187 -13 0 + 4 e 179 396 etot -8.8508E+01 mv 1 102 187 96 0 + 4 e 142 402 etot -8.5640E+01 mv 0 102 44 0 0 c 44 0.6 0.0 + 4 e 59 405 etot -8.6437E+01 mv 0 102 70 0 0 c 70 0.1 0.0 + 4 e 299 392 etot -7.5821E+01 mv 1 102 158 -71 0 + 4 e 329 389 etot -8.4308E+01 mv 1 102 128 -137 0 + 4 e 360 370 etot -8.8984E+01 mv 1 102 161 140 0 + -1 e 1 21 etot 1.3528E+20 mv 6 103 81 43 0 + -1 e 1 30 etot 1.3528E+20 mv 6 103 81 97 0 + -1 e 1 32 etot 1.3528E+20 mv 6 103 90 97 0 + 4 e 14 3 etot -8.8740E+01 mv 6 103 15 136 0 c 136 0.0 0.0 + 4 e 228 1 etot -9.0761E+01 mv 6 103 15 191 0 + 4 e 234 2 etot -8.5937E+01 mv 6 103 15 116 0 + -1 e 1 37 etot 1.3528E+20 mv 6 103 90 101 0 + 4 e 224 14 etot -8.9248E+01 mv 6 103 75 42 0 + 4 e 222 28 etot -8.7419E+01 mv 6 103 81 71 0 + 4 e 254 13 etot -8.6994E+01 mv 6 103 75 18 0 c 75 4.0 0.0 + -1 e 1 41 etot 1.3528E+20 mv 6 103 103 189 0 + 4 e 252 15 etot -8.6994E+01 mv 6 103 75 187 0 + 4 e 263 24 etot -8.7377E+01 mv 6 103 81 155 0 + 4 e 286 19 etot -8.0108E+01 mv 6 103 75 37 0 + 4 e 287 4 etot -9.0042E+01 mv 6 103 15 95 0 c 15 5.2 0.0 + 4 e 280 31 etot -8.8070E+01 mv 6 103 90 47 0 + 4 e 432 35 etot -7.4088E+01 mv 6 103 90 134 0 + 4 e 348 8 etot -9.0036E+01 mv 6 103 15 90 0 + 4 e 51 47 etot -8.5443E+01 mv 6 103 103 28 0 c 28 0.0 0.0 + 4 e 317 10 etot -9.0041E+01 mv 6 103 15 180 0 + 4 e 395 27 etot -8.4328E+01 mv 6 103 81 102 0 + 4 e 93 48 etot -8.5542E+01 mv 6 103 103 153 0 c 153 0.4 0.0 + 4 e 461 7 etot -8.0234E+01 mv 6 103 15 101 0 + 4 e 279 33 etot -9.0234E+01 mv 6 103 90 82 0 + 4 e 403 6 etot -6.5706E+01 mv 6 103 15 110 0 + 4 e 354 38 etot -8.2503E+01 mv 6 103 90 32 0 + 4 e 473 16 etot -8.4205E+01 mv 6 103 75 122 0 + 4 e 251 39 etot -8.9330E+01 mv 6 103 90 83 0 + 4 e 220 44 etot -8.6518E+01 mv 6 103 103 82 0 + 4 e 487 12 etot -8.1650E+01 mv 6 103 75 20 0 + 4 e 473 9 etot 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0 %acc 0.0 +## N6 total= 200 close= 13 far= 0 %acc 6.5 +## N7 total= 0 close= 0 far= 0 %acc 0.0 +## N8 total= 0 close= 0 far= 0 %acc 0.0 +## N9 total= 0 close= 0 far= 0 %acc 0.0 +##N10 total= 0 close= 0 far= 0 %acc 0.0 +##N11 total= 0 close= 0 far= 0 %acc 0.0 +##N12 total= 0 close= 0 far= 0 %acc 0.0 +##N13 total= 0 close= 0 far= 0 %acc 0.0 +##N14 total= 0 close= 0 far= 0 %acc 0.0 +##N15 total= 0 close= 0 far= 0 %acc 0.0 +##N16 total= 0 close= 0 far= 0 %acc 0.0 +##N17 total= 0 close= 0 far= 0 %acc 0.0 +##N18 total= 0 close= 0 far= 0 %acc 0.0 + Time for refresh 104 0.28 + make_var : nseed= 20 ntry= 420 + Time for make trial 105 0.05 +Nonsetup time 217.59 sec, Eval/s = 58719.05 +Time for iter 105 1.77 sec, Eval/s = 68225.98 + UPDATING 420 + 4 e 121 407 etot -8.9330E+01 mv 0 103 161 0 0 c 161 0.7 0.0 + 4 e 415 388 etot -8.8678E+01 mv 1 103 135 100 0 + 4 e 237 397 etot -8.7920E+01 mv 1 103 4 -181 0 + 4 e 712 375 etot -7.7331E+01 mv 1 103 59 -145 0 + 4 e 271 398 etot -8.7151E+01 mv 1 103 4 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4 e 253 387 etot -7.8765E+01 mv 1 103 135 -83 0 + 4 e 638 367 etot -8.2873E+01 mv 1 103 125 -119 0 + 4 e 360 382 etot -7.4702E+01 mv 1 103 66 145 0 + 4 e 608 370 etot -8.3995E+01 mv 1 103 125 77 0 + 4 e 502 381 etot -9.0283E+01 mv 1 103 66 174 0 + -1 e 1 23 etot 1.3528E+20 mv 6 104 128 198 0 + 4 e 208 400 etot -8.8069E+01 mv 1 103 4 127 0 + -1 e 1 25 etot 1.3528E+20 mv 6 104 128 152 0 + -1 e 1 26 etot 1.3528E+20 mv 6 104 128 23 0 + -1 e 1 27 etot 2.2079E+20 mv 6 104 128 61 0 + -1 e 1 28 etot 1.3528E+20 mv 6 104 128 140 0 + 4 e 246 399 etot -8.7198E+01 mv 1 103 4 -44 0 + 4 e 478 361 etot -8.5957E+01 mv 1 103 37 74 0 + 4 e 569 362 etot -8.0809E+01 mv 1 103 37 101 0 + -1 e 1 33 etot 1.3528E+20 mv 6 104 144 3 0 + -1 e 1 38 etot 1.3528E+20 mv 6 104 144 68 0 + 4 e 159 37 etot -7.0444E+01 mv 6 104 144 113 0 + 4 e 191 40 etot -7.0621E+01 mv 6 104 144 193 0 + 4 e 208 34 etot -6.8958E+01 mv 6 104 144 175 0 + 4 e 224 14 etot -7.3019E+01 mv 6 104 94 47 0 + 4 e 227 24 etot -8.9607E+01 mv 6 104 128 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15 64.8 0.1 + -1 e 1 67 etot 1.3528E+20 mv 6 104 101 91 0 + 4 e 370 12 etot -8.2070E+01 mv 6 104 94 22 0 + 4 e 251 42 etot -7.9202E+01 mv 6 104 191 136 0 + 4 e 394 21 etot -8.4320E+01 mv 6 104 128 138 0 + 4 e 409 16 etot -8.5736E+01 mv 6 104 94 138 0 + 4 e 239 43 etot -8.8917E+01 mv 6 104 191 17 0 + 4 e 435 30 etot -7.4472E+01 mv 6 104 128 187 0 + 4 e 240 44 etot -9.0761E+01 mv 6 104 191 149 0 + -1 e 1 75 etot 1.3528E+20 mv 6 104 66 142 0 + 4 e 232 57 etot -9.0348E+01 mv 6 104 33 191 0 + 4 e 441 6 etot -8.8477E+01 mv 6 104 90 24 0 + 4 e 452 19 etot -8.7520E+01 mv 6 104 94 119 0 + 4 e 459 18 etot -7.4200E+01 mv 6 104 94 83 0 + 4 e 202 56 etot -9.2487E+01 mv 6 104 33 6 0 + 4 e 499 36 etot -7.7585E+01 mv 6 104 144 129 0 + 4 e 442 32 etot -8.0403E+01 mv 6 104 144 119 0 + 4 e 313 45 etot -8.8917E+01 mv 6 104 191 158 0 + 4 e 299 60 etot -9.0348E+01 mv 6 104 33 66 0 + 4 e 250 53 etot -8.7714E+01 mv 6 104 33 95 0 + 4 e 204 63 etot -7.7878E+01 mv 6 104 101 64 0 + 4 e 224 61 etot -9.0194E+01 mv 6 104 101 197 0 + 4 e 286 52 etot -8.3386E+01 mv 6 104 33 19 0 + 4 e 516 15 etot -8.4682E+01 mv 6 104 94 153 0 + 4 e 219 65 etot -8.8240E+01 mv 6 104 101 129 0 + 4 e 179 71 etot -7.0127E+01 mv 6 104 66 147 0 + -1 e 1 91 etot 1.3528E+20 mv 6 104 37 30 0 + 4 e 212 72 etot -7.1099E+01 mv 6 104 66 105 0 + 4 e 324 48 etot -9.0761E+01 mv 6 104 191 100 0 + 4 e 165 77 etot -8.7959E+01 mv 6 104 66 137 0 + 4 e 586 4 etot -8.2737E+01 mv 6 104 90 144 0 + 4 e 170 73 etot -7.6512E+01 mv 6 104 66 25 0 + 4 e 339 69 etot -8.9833E+01 mv 6 104 101 200 0 + 4 e 575 49 etot -7.9632E+01 mv 6 104 191 78 0 + -1 e 1 100 etot 1.3528E+20 mv 6 104 37 100 0 + 4 e 358 54 etot -8.6331E+01 mv 6 104 33 89 0 + 4 e 201 84 etot -7.1277E+01 mv 6 104 197 134 0 + 4 e 241 70 etot -9.0193E+01 mv 6 104 101 44 0 + 4 e 195 93 etot -8.9247E+01 mv 6 104 37 105 0 + -1 e 1 105 etot 1.3528E+20 mv 6 104 79 141 0 + 4 e 414 55 etot -8.4221E+01 mv 6 104 33 62 0 + -1 e 1 107 etot 1.3528E+20 mv 6 104 79 131 0 + 4 e 242 74 etot -8.7114E+01 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-8.3302E+01 mv 6 104 101 187 0 + 4 e 400 82 etot -8.6354E+01 mv 6 104 197 136 0 + -1 e 1 131 etot 1.3227E+26 mv 6 104 158 191 0 + 4 e 383 103 etot -8.8948E+01 mv 6 104 79 199 0 + 4 e 334 95 etot -8.9074E+01 mv 6 104 37 97 0 + 4 e 426 101 etot -8.0192E+01 mv 6 104 79 138 0 + 4 e 319 98 etot -8.1656E+01 mv 6 104 37 130 0 + -1 e 1 136 etot 1.3528E+20 mv 6 104 158 132 0 + 4 e 247 108 etot -8.1367E+01 mv 6 104 79 152 0 + -1 e 1 138 etot 1.3528E+20 mv 6 104 158 102 0 + -1 e 1 139 etot 1.3528E+20 mv 6 104 158 172 0 + 4 e 489 76 etot -8.5971E+01 mv 6 104 66 78 0 + 4 e 288 118 etot -8.5338E+01 mv 6 104 13 118 0 + 4 e 635 62 etot -8.2902E+01 mv 6 104 101 132 0 + 4 e 335 116 etot -6.9630E+01 mv 6 104 13 112 0 + 4 e 306 104 etot -8.1856E+01 mv 6 104 79 116 0 + -1 e 1 145 etot 1.3528E+20 mv 6 104 59 120 0 + 4 e 449 102 etot -8.5882E+01 mv 6 104 79 99 0 + 4 e 368 113 etot -8.7140E+01 mv 6 104 13 101 0 + 4 e 606 80 etot -9.1338E+01 mv 6 104 66 116 0 + -1 e 1 149 etot 1.3528E+20 mv 6 104 59 29 0 + 4 e 216 127 etot -7.2729E+01 mv 6 104 81 58 0 + 4 e 234 125 etot -7.7376E+01 mv 6 104 81 48 0 + 4 e 320 109 etot -8.8524E+01 mv 6 104 79 103 0 + 4 e 2 152 etot -9.0761E+01 mv 6 104 187 191 0 + -1 e 1 154 etot 1.3528E+20 mv 6 104 187 169 0 + 4 e 170 133 etot -8.2946E+01 mv 6 104 158 95 0 + 4 e 343 122 etot -8.7377E+01 mv 6 104 81 95 0 + -1 e 1 156 etot 1.3528E+20 mv 6 104 187 12 0 + 4 e 266 126 etot -8.8736E+01 mv 6 104 81 49 0 + 4 e 140 144 etot -6.0725E+01 mv 6 104 59 194 0 + 4 e 333 111 etot -8.8871E+01 mv 6 104 13 111 0 + 4 e 498 115 etot -7.9155E+01 mv 6 104 13 142 0 + -1 e 1 162 etot 1.3528E+20 mv 6 104 142 126 0 + -1 e 1 163 etot 1.3528E+20 mv 6 104 142 126 0 + 4 e 491 117 etot -9.1845E+01 mv 6 104 13 136 0 + 4 e 557 86 etot -8.3191E+01 mv 6 104 197 84 0 + 4 e 196 142 etot -7.3811E+01 mv 6 104 59 151 0 + 4 e 363 124 etot -8.2144E+01 mv 6 104 81 142 0 + 4 e 18 161 etot -8.9668E+01 mv 6 104 142 77 0 c 77 0.0 0.0 + 4 e 104 157 etot -8.6815E+01 mv 6 104 187 103 0 c 103 0.6 0.0 + 4 e 420 123 etot -8.4296E+01 mv 6 104 81 15 0 + 4 e 202 147 etot -7.6369E+01 mv 6 104 59 158 0 + 4 e 217 132 etot -8.4608E+01 mv 6 104 158 26 0 + 4 e 364 129 etot -7.0015E+01 mv 6 104 81 176 0 + 4 e 295 135 etot -8.8860E+01 mv 6 104 158 190 0 + 4 e 647 106 etot -8.5444E+01 mv 6 104 79 190 0 + 4 e 406 128 etot -7.1047E+01 mv 6 104 81 186 0 + 4 e 205 151 etot -8.8515E+01 mv 6 104 187 147 0 c 187 2.5 0.0 + 4 e 389 130 etot -8.8298E+01 mv 6 104 81 33 0 + 4 e 224 155 etot -6.9452E+01 mv 6 104 187 115 0 + 4 e 208 146 etot -8.5093E+01 mv 6 104 59 138 0 + 4 e 152 167 etot -6.6819E+01 mv 6 104 142 166 0 + 4 e 169 153 etot -8.8508E+01 mv 6 104 187 46 0 + 4 e 259 140 etot -8.5388E+01 mv 6 104 158 88 0 + 4 e 90 173 etot -8.9262E+01 mv 6 104 4 54 0 + 4 e 356 148 etot -6.7146E+01 mv 6 104 59 23 0 + 4 e 44 181 etot -8.5924E+01 mv 6 104 61 160 0 c 160 0.1 0.0 + 4 e 180 171 etot -8.4930E+01 mv 6 104 4 119 0 + 4 e 305 158 etot -8.9818E+01 mv 6 104 187 16 0 + 4 e 168 166 etot -6.9663E+01 mv 6 104 142 66 0 + 4 e 255 165 etot -9.2233E+01 mv 6 104 142 129 0 + 4 e 326 141 etot -8.0163E+01 mv 6 104 59 165 0 + 4 e 458 119 etot -7.8823E+01 mv 6 104 13 185 0 + 4 e 332 137 etot -9.2431E+01 mv 6 104 158 200 0 + 4 e 350 159 etot -8.1514E+01 mv 6 104 187 36 0 + 4 e 282 170 etot -8.8224E+01 mv 6 104 142 95 0 + 4 e 261 172 etot -8.4966E+01 mv 6 104 4 40 0 + 4 e 324 164 etot -8.4373E+01 mv 6 104 142 52 0 + 4 e 181 180 etot -8.9262E+01 mv 6 104 4 85 0 + 4 e 591 112 etot -7.8877E+01 mv 6 104 13 44 0 + 4 e 358 160 etot -8.5688E+01 mv 6 104 187 157 0 + 4 e 257 175 etot -8.8305E+01 mv 6 104 4 104 0 + 4 e 350 143 etot -7.8713E+01 mv 6 104 59 19 0 + 4 e 271 174 etot -8.9311E+01 mv 6 104 4 17 0 + 4 e 535 150 etot -7.9428E+01 mv 6 104 59 109 0 + 4 e 332 177 etot -7.8936E+01 mv 6 104 4 189 0 + 4 e 328 178 etot -7.5074E+01 mv 6 104 4 91 0 + 4 e 282 182 etot -8.8103E+01 mv 6 104 61 78 0 + 4 e 317 169 etot -7.3328E+01 mv 6 104 142 178 0 + 4 e 490 134 etot -8.8350E+01 mv 6 104 158 124 0 + 4 e 422 179 etot -8.2607E+01 mv 6 104 4 168 0 + 4 e 294 191 etot -8.5670E+01 mv 6 104 137 54 0 + 4 e 175 205 etot -8.8500E+01 mv 2 104 90 63 0 c 90 4.2 0.0 + 4 e 542 168 etot -9.2232E+01 mv 6 104 142 104 0 + 4 e 220 204 etot -8.8500E+01 mv 2 104 90 194 0 c 90 1.6 0.0 + 4 e 245 198 etot -8.6879E+01 mv 6 104 137 126 0 + 4 e 497 176 etot -8.8157E+01 mv 6 104 4 68 0 + 4 e 380 189 etot -8.5056E+01 mv 6 104 61 140 0 + 4 e 299 196 etot -7.9767E+01 mv 6 104 137 12 0 + 4 e 226 192 etot -8.9414E+01 mv 6 104 137 9 0 + 4 e 399 188 etot -7.2239E+01 mv 6 104 61 187 0 + -1 e 1 221 etot 1.3528E+20 mv 2 104 191 -124 0 + -1 e 1 222 etot 1.3528E+20 mv 2 104 191 -94 0 + 4 e 411 186 etot -7.6009E+01 mv 6 104 61 155 0 + 4 e 319 183 etot -8.6593E+01 mv 6 104 61 73 0 + 4 e 246 208 etot -6.0318E+01 mv 2 104 94 139 0 + 4 e 238 200 etot -8.7959E+01 mv 6 104 137 14 0 + 4 e 276 206 etot -8.6189E+01 mv 2 104 94 23 0 + 4 e 323 190 etot -8.9527E+01 mv 6 104 61 15 0 + 4 e 287 194 etot -8.4374E+01 mv 6 104 137 119 0 + 4 e 379 199 etot -8.7791E+01 mv 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244 etot -8.1954E+01 mv 2 104 197 6 0 + 4 e 363 229 etot -8.4396E+01 mv 2 104 33 -10 0 + 4 e 298 247 etot -8.0480E+01 mv 2 104 37 48 0 + 4 e 147 255 etot -8.9030E+01 mv 2 104 79 -131 0 + -1 e 1 275 etot 1.3528E+20 mv 2 104 59 -124 0 + 4 e 199 259 etot -8.8871E+01 mv 2 104 13 183 0 + 4 e 411 242 etot -8.6160E+01 mv 2 104 197 132 0 + 4 e 497 239 etot -7.9792E+01 mv 2 104 66 111 0 + 4 e 438 245 etot -8.0391E+01 mv 2 104 197 8 0 + 4 e 179 266 etot -8.8861E+01 mv 2 104 158 -8 0 + 4 e 222 256 etot -8.8278E+01 mv 2 104 13 -186 0 + 4 e 455 246 etot -7.6640E+01 mv 2 104 37 189 0 + 4 e 436 235 etot -8.7414E+01 mv 2 104 101 -79 0 + 4 e 278 254 etot -8.7697E+01 mv 2 104 79 118 0 + 4 e 243 269 etot -8.4603E+01 mv 2 104 158 -136 0 + 4 e 226 260 etot -8.7442E+01 mv 2 104 13 -73 0 + 4 e 343 249 etot -7.3720E+01 mv 2 104 37 -66 0 + 4 e 270 270 etot -6.6600E+01 mv 2 104 158 -196 0 + 4 e 391 243 etot -7.6115E+01 mv 2 104 197 -164 0 + -1 e 1 289 etot 1.3528E+20 mv 2 104 4 -70 0 + 4 e 309 263 etot -7.8720E+01 mv 2 104 81 -191 0 + 4 e 517 251 etot -8.9606E+01 mv 2 104 79 -60 0 + 4 e 330 267 etot -7.2401E+01 mv 2 104 158 -185 0 + 4 e 272 274 etot -7.4751E+01 mv 2 104 59 116 0 + 4 e 576 248 etot -7.9388E+01 mv 2 104 37 -115 0 + 4 e 274 262 etot -8.8736E+01 mv 2 104 81 -160 0 + -1 e 1 297 etot 1.3528E+20 mv 2 104 137 -155 0 + 4 e 697 240 etot -8.8525E+01 mv 2 104 66 -46 0 + 4 e 592 230 etot -7.1249E+01 mv 2 104 33 -133 0 + 4 e 611 252 etot -8.7480E+01 mv 2 104 79 -132 0 + 4 e 397 271 etot -8.3759E+01 mv 2 104 59 132 0 + 4 e 156 291 etot -8.8104E+01 mv 2 104 61 -119 0 + 4 e 275 276 etot -8.7053E+01 mv 2 104 187 34 0 + 4 e 421 257 etot -8.8870E+01 mv 2 104 13 17 0 + 4 e 289 279 etot -8.3593E+01 mv 2 104 187 -150 0 + 4 e 357 283 etot -7.3219E+01 mv 2 104 142 -34 0 + 4 e 529 272 etot -7.5286E+01 mv 2 104 59 -137 0 + 4 e 285 282 etot -8.6165E+01 mv 2 104 142 -3 0 + 4 e 426 281 etot -8.2970E+01 mv 2 104 142 133 0 + 4 e 364 286 etot -7.5893E+01 mv 2 104 4 -93 0 + 4 e 478 277 etot -7.7977E+01 mv 2 104 187 -73 0 + 4 e 412 268 etot -8.8858E+01 mv 2 104 158 -92 0 + 4 e 304 293 etot -7.2505E+01 mv 2 104 61 169 0 + 4 e 640 265 etot -8.8734E+01 mv 2 104 81 -48 0 + 4 e 321 294 etot -8.0289E+01 mv 2 104 61 -43 0 + 4 e 715 261 etot -7.0336E+01 mv 2 104 81 170 0 + 4 e 589 278 etot -7.9119E+01 mv 2 104 187 174 0 + 4 e 242 298 etot -8.7337E+01 mv 2 104 137 -139 0 + 4 e 560 280 etot -7.8789E+01 mv 2 104 187 -180 0 + 4 e 361 299 etot -8.3321E+01 mv 2 104 137 69 0 + 4 e 325 302 etot -8.8499E+01 mv 1 104 90 5 0 + 4 e 247 306 etot -8.5738E+01 mv 1 104 94 -127 0 c 94 2.2 0.0 + 4 e 414 296 etot -8.0157E+01 mv 2 104 137 -12 0 + 4 e 488 273 etot -7.9447E+01 mv 2 104 59 -143 0 + -1 e 1 325 etot 1.3528E+20 mv 1 104 191 -78 0 + -1 e 1 326 etot 1.3528E+20 mv 1 104 33 188 0 + 4 e 452 295 etot -8.5869E+01 mv 2 104 61 -175 0 + 4 e 381 285 etot -8.4166E+01 mv 2 104 142 60 0 + 4 e 349 290 etot -8.8115E+01 mv 2 104 4 40 0 + 4 e 268 300 etot -8.6501E+01 mv 2 104 137 -43 0 + 4 e 375 287 etot -8.8114E+01 mv 2 104 4 -185 0 + 4 e 377 301 etot -8.8499E+01 mv 1 104 90 138 0 + 4 e 209 312 etot -7.5827E+01 mv 1 104 128 -54 0 + 4 e 182 316 etot -8.5589E+01 mv 1 104 144 -151 0 + 4 e 205 315 etot -8.9881E+01 mv 1 104 128 55 0 + 4 e 236 310 etot -8.5738E+01 mv 1 104 94 193 0 c 94 0.8 0.0 + 4 e 131 320 etot -7.0045E+01 mv 1 104 144 62 0 + 4 e 416 288 etot -7.5659E+01 mv 2 104 4 -38 0 + 4 e 565 292 etot -8.2350E+01 mv 2 104 61 74 0 + 4 e 158 323 etot -9.0761E+01 mv 1 104 191 79 0 + 4 e 298 314 etot -8.9817E+01 mv 1 104 128 30 0 + 4 e 475 303 etot -8.7647E+01 mv 1 104 90 -47 0 + 4 e 340 304 etot -8.8499E+01 mv 1 104 90 127 0 + 4 e 209 322 etot -9.0761E+01 mv 1 104 191 110 0 + 4 e 332 317 etot -8.1674E+01 mv 1 104 144 -44 0 + 4 e 536 284 etot -7.8418E+01 mv 2 104 142 -53 0 + 4 e 406 308 etot -8.5540E+01 mv 1 104 94 183 0 + 4 e 374 305 etot -8.8499E+01 mv 1 104 90 3 0 + 4 e 439 311 etot -8.1921E+01 mv 1 104 128 -104 0 + 4 e 327 318 etot -8.5858E+01 mv 1 104 144 -149 0 + 4 e 313 321 etot -8.7630E+01 mv 1 104 191 120 0 + 4 e 303 324 etot -7.5980E+01 mv 1 104 191 29 0 + 4 e 158 341 etot -7.8915E+01 mv 1 104 197 -182 0 + 4 e 212 327 etot -8.8565E+01 mv 1 104 33 -15 0 + 4 e 274 334 etot -8.4800E+01 mv 1 104 101 -30 0 + -1 e 1 356 etot 1.3528E+20 mv 1 104 13 -37 0 + 4 e 212 340 etot -8.9261E+01 mv 1 104 66 115 0 + 4 e 573 307 etot -8.3106E+01 mv 1 104 94 189 0 + 4 e 232 331 etot -9.0193E+01 mv 1 104 101 -100 0 + 4 e 323 335 etot -9.0192E+01 mv 1 104 101 91 0 + -1 e 1 361 etot 1.3528E+20 mv 1 104 81 46 0 + 4 e 132 351 etot -8.9030E+01 mv 1 104 79 -40 0 + 4 e 411 309 etot -7.3939E+01 mv 1 104 94 93 0 + 4 e 189 346 etot -8.9075E+01 mv 1 104 37 169 0 + 4 e 349 336 etot -8.9259E+01 mv 1 104 66 -70 0 + 4 e 437 328 etot -7.8566E+01 mv 1 104 33 -149 0 + 4 e 413 333 etot -8.6295E+01 mv 1 104 101 -192 0 + 4 e 366 338 etot -8.8327E+01 mv 1 104 66 67 0 + 4 e 311 332 etot -9.0080E+01 mv 1 104 101 13 0 + -1 e 1 370 etot 1.3528E+20 mv 1 104 158 176 0 + 4 e 277 345 etot -8.7540E+01 mv 1 104 197 -42 0 + 4 e 191 353 etot -8.9030E+01 mv 1 104 79 -191 0 + 4 e 346 329 etot -9.0348E+01 mv 1 104 33 87 0 + 4 e 195 349 etot -7.5410E+01 mv 1 104 37 102 0 + 4 e 300 348 etot -8.9074E+01 mv 1 104 37 95 0 + 4 e 497 313 etot -8.7602E+01 mv 1 104 128 32 0 + 4 e 245 358 etot -8.8630E+01 mv 1 104 13 -50 0 + 4 e 386 330 etot -8.4500E+01 mv 1 104 33 -112 0 + 4 e 435 342 etot -8.7003E+01 mv 1 104 197 156 0 + 4 e 295 354 etot -8.8645E+01 mv 1 104 79 -145 0 + 4 e 335 350 etot -8.0480E+01 mv 1 104 37 -43 0 + 4 e 257 359 etot -6.7628E+01 mv 1 104 13 -11 0 + 4 e 460 343 etot -8.4918E+01 mv 1 104 197 79 0 + 4 e 216 363 etot -8.8736E+01 mv 1 104 81 -123 0 + 4 e 576 337 etot -8.0599E+01 mv 1 104 66 67 0 + 4 e 248 365 etot -8.8736E+01 mv 1 104 81 -34 0 + 4 e 222 360 etot -8.8871E+01 mv 1 104 13 169 0 + 4 e 521 319 etot -8.1282E+01 mv 1 104 144 112 0 + 4 e 421 352 etot -7.3985E+01 mv 1 104 79 143 0 + 4 e 310 367 etot -8.8860E+01 mv 1 104 158 -188 0 + 4 e 152 374 etot -8.8574E+01 mv 1 104 59 -3 0 + 4 e 297 373 etot -7.3176E+01 mv 1 104 59 -82 0 + 4 e 411 344 etot -8.8071E+01 mv 1 104 197 -10 0 + 4 e 203 378 etot -8.7944E+01 mv 1 104 187 80 0 + 4 e 432 362 etot -7.2219E+01 mv 1 104 81 74 0 + 4 e 215 380 etot -8.8508E+01 mv 1 104 187 -195 0 + 4 e 275 364 etot -8.8736E+01 mv 1 104 81 -76 0 + 4 e 227 371 etot -8.5167E+01 mv 1 104 59 -64 0 + 4 e 293 376 etot -8.8515E+01 mv 1 104 187 -94 0 + 4 e 451 366 etot -8.8859E+01 mv 1 104 158 -199 0 + 4 e 559 357 etot -8.2183E+01 mv 1 104 13 -1 0 + 4 e 447 369 etot -7.7809E+01 mv 1 104 158 196 0 + 4 e 292 383 etot -8.8224E+01 mv 1 104 142 30 0 + 4 e 204 390 etot -8.8116E+01 mv 1 104 4 142 0 + 4 e 424 372 etot -8.6087E+01 mv 1 104 59 10 0 + 4 e 15 404 etot -8.5859E+01 mv 0 104 144 0 0 c 144 0.0 0.0 + 4 e 2 405 etot -9.0761E+01 mv 0 104 191 0 0 + 4 e 2 407 etot -9.0194E+01 mv 0 104 101 0 0 + 4 e 2 408 etot -8.9261E+01 mv 0 104 66 0 0 + 4 e 2 409 etot -8.9188E+01 mv 0 104 197 0 0 + 4 e 472 368 etot -8.3415E+01 mv 1 104 158 -2 0 + 4 e 2 410 etot -8.9075E+01 mv 0 104 37 0 0 + 4 e 2 412 etot -8.8871E+01 mv 0 104 13 0 0 + 4 e 11 406 etot -9.0349E+01 mv 0 104 33 0 0 c 33 0.0 0.0 + 4 e 2 415 etot -8.8574E+01 mv 0 104 59 0 0 + 4 e 322 382 etot -7.9895E+01 mv 1 104 142 -138 0 + 4 e 2 417 etot -8.8225E+01 mv 0 104 142 0 0 + 4 e 2 418 etot -8.8116E+01 mv 0 104 4 0 0 + 4 e 17 411 etot -8.9030E+01 mv 0 104 79 0 0 c 79 0.0 0.0 +## N0 total= 21 close= 7 far= 0 %acc 33.3 +## N1 total= 99 close= 2 far= 0 %acc 2.0 +## N2 total= 100 close= 2 far= 0 %acc 2.0 +## N3 total= 0 close= 0 far= 0 %acc 0.0 +## N4 total= 0 close= 0 far= 0 %acc 0.0 +## N5 total= 0 close= 0 far= 0 %acc 0.0 +## N6 total= 200 close= 6 far= 0 %acc 3.0 +## N7 total= 0 close= 0 far= 0 %acc 0.0 +## N8 total= 0 close= 0 far= 0 %acc 0.0 +## N9 total= 0 close= 0 far= 0 %acc 0.0 +##N10 total= 0 close= 0 far= 0 %acc 0.0 +##N11 total= 0 close= 0 far= 0 %acc 0.0 +##N12 total= 0 close= 0 far= 0 %acc 0.0 +##N13 total= 0 close= 0 far= 0 %acc 0.0 +##N14 total= 0 close= 0 far= 0 %acc 0.0 +##N15 total= 0 close= 0 far= 0 %acc 0.0 +##N16 total= 0 close= 0 far= 0 %acc 0.0 +##N17 total= 0 close= 0 far= 0 %acc 0.0 +##N18 total= 0 close= 0 far= 0 %acc 0.0 + Time for refresh 105 0.46 + make_var : nseed= 20 ntry= 420 + Time for make trial 106 0.18 +Nonsetup time 219.78 sec, Eval/s = 58692.51 +Time for iter 106 2.19 sec, Eval/s = 56057.61 + UPDATING 420 + 4 e 232 396 etot -8.6015E+01 mv 1 104 137 50 0 + 4 e 2 420 etot -8.7959E+01 mv 0 104 137 0 0 + 4 e 2 419 etot -8.8104E+01 mv 0 104 61 0 0 + 4 e 392 391 etot -8.8103E+01 mv 1 104 61 48 0 + 4 e 171 401 etot -8.8500E+01 mv 0 104 90 0 0 c 90 0.9 0.0 + 4 e 284 393 etot -8.7837E+01 mv 1 104 61 -174 0 + 4 e 97 416 etot -8.8516E+01 mv 0 104 187 0 0 c 187 1.3 0.0 + 4 e 289 387 etot -8.8114E+01 mv 1 104 4 -141 0 + 4 e 92 413 etot -8.8736E+01 mv 0 104 81 0 0 c 81 0.3 0.0 + 4 e 402 395 etot -8.9187E+01 mv 1 104 61 199 0 + 4 e 510 384 etot -8.3003E+01 mv 1 104 142 -185 0 + 4 e 604 397 etot -8.1604E+01 mv 1 104 137 158 0 + 4 e 280 400 etot -8.4374E+01 mv 1 104 137 -64 0 + 4 e 399 381 etot -8.8222E+01 mv 1 104 142 -11 0 + -1 e 1 4 etot 1.3528E+20 mv 6 105 15 196 0 + 4 e 22 414 etot -8.8861E+01 mv 0 104 158 0 0 c 158 0.0 0.0 + 4 e 144 402 etot -8.5738E+01 mv 0 104 94 0 0 c 94 0.6 0.0 + 4 e 341 385 etot -8.8222E+01 mv 1 104 142 69 0 + 4 e 70 403 etot -8.9882E+01 mv 0 104 128 0 0 c 128 0.5 0.0 + 4 e 299 386 etot -8.8115E+01 mv 1 104 4 -183 0 + 4 e 523 347 etot -8.1765E+01 mv 1 104 37 -99 0 + 4 e 579 394 etot -8.5415E+01 mv 1 104 61 5 0 + 4 e 477 388 etot -8.8114E+01 mv 1 104 4 34 0 + 4 e 686 339 etot -8.9258E+01 mv 1 104 66 29 0 + 4 e 420 377 etot -7.1824E+01 mv 1 104 187 26 0 + 4 e 254 379 etot -7.7172E+01 mv 1 104 187 152 0 + 4 e 503 355 etot -8.0089E+01 mv 1 104 79 -34 0 + 4 e 487 375 etot -8.0490E+01 mv 1 104 59 -65 0 + 4 e 246 399 etot -6.6122E+01 mv 1 104 137 95 0 + 4 e 365 392 etot -8.3307E+01 mv 1 104 61 -131 0 + 4 e 408 389 etot -7.8889E+01 mv 1 104 4 124 0 + 4 e 270 398 etot -8.7959E+01 mv 1 104 137 -130 0 + -1 e 1 14 etot 1.3528E+20 mv 6 105 8 115 0 + 4 e 149 19 etot -8.6118E+01 mv 6 105 8 162 0 + 4 e 157 27 etot -8.7814E+01 mv 6 105 191 91 0 + 4 e 170 26 etot -9.0747E+01 mv 6 105 191 92 0 + 4 e 206 29 etot -9.0761E+01 mv 6 105 191 100 0 + 4 e 214 13 etot -8.5770E+01 mv 6 105 8 188 0 + -1 e 1 38 etot 1.3528E+20 mv 6 105 101 125 0 + 4 e 227 12 etot -7.8869E+01 mv 6 105 8 169 0 + 4 e 235 28 etot -8.6444E+01 mv 6 105 191 109 0 + -1 e 1 41 etot 1.3528E+20 mv 6 105 197 75 0 + 4 e 235 17 etot -8.7443E+01 mv 6 105 8 163 0 + -1 e 1 42 etot 1.3528E+20 mv 6 105 197 196 0 + 4 e 241 11 etot -8.6570E+01 mv 6 105 8 99 0 + 4 e 261 32 etot -7.8239E+01 mv 6 105 101 65 0 + 4 e 267 10 etot -6.9257E+01 mv 6 105 15 9 0 + 4 e 298 9 etot -7.4018E+01 mv 6 105 15 164 0 + 4 e 304 20 etot -6.4148E+01 mv 6 105 8 80 0 + 4 e 265 16 etot -8.8194E+01 mv 6 105 8 63 0 + 4 e 300 18 etot -8.0346E+01 mv 6 105 8 152 0 + -1 e 1 51 etot 1.3528E+20 mv 6 105 37 31 0 + -1 e 1 52 etot 1.3528E+20 mv 6 105 37 185 0 + 4 e 416 3 etot -8.2988E+01 mv 6 105 15 163 0 + 4 e 360 25 etot -8.8436E+01 mv 6 105 191 193 0 + 4 e 457 2 etot -8.6162E+01 mv 6 105 15 196 0 + 8 e 29 54 etot -6.3997E+01 mv 6 105 37 176 0 + 4 e 372 7 etot -8.6868E+01 mv 6 105 15 26 0 + 4 e 378 23 etot -8.4800E+01 mv 6 105 191 109 0 + 4 e 404 33 etot -8.7102E+01 mv 6 105 101 118 0 + 4 e 185 43 etot -7.9998E+01 mv 6 105 197 2 0 + 4 e 271 36 etot -7.6651E+01 mv 6 105 101 179 0 + 4 e 568 1 etot -9.2489E+01 mv 6 105 15 114 0 + 4 e 390 8 etot -8.8836E+01 mv 6 105 15 122 0 + 4 e 488 6 etot -9.0029E+01 mv 6 105 15 2 0 + 4 e 263 40 etot -9.0900E+01 mv 6 105 101 68 0 + 4 e 537 15 etot -8.1324E+01 mv 6 105 8 33 0 + 4 e 228 50 etot -7.7352E+01 mv 6 105 197 27 0 + 4 e 510 5 etot -9.1457E+01 mv 6 105 15 146 0 + 4 e 487 22 etot -8.0181E+01 mv 6 105 191 164 0 + 4 e 295 44 etot -8.5087E+01 mv 6 105 197 97 0 + 4 e 337 39 etot -6.6570E+01 mv 6 105 101 9 0 + 4 e 269 57 etot -8.7585E+01 mv 6 105 37 68 0 + 4 e 277 21 etot -9.0435E+01 mv 6 105 191 156 0 + -1 e 1 73 etot 1.3528E+20 mv 6 105 81 36 0 + 4 e 269 48 etot -7.4213E+01 mv 6 105 197 158 0 + 4 e 406 35 etot -8.4960E+01 mv 6 105 101 2 0 + 4 e 2 76 etot -8.5415E+01 mv 6 105 81 147 0 + 4 e 299 53 etot -7.8544E+01 mv 6 105 37 182 0 + 4 e 10 79 etot -8.6437E+01 mv 6 105 81 70 0 c 70 0.0 0.0 + 4 e 293 30 etot -8.1697E+01 mv 6 105 191 103 0 + 4 e 481 34 etot -9.0191E+01 mv 6 105 101 124 0 + 4 e 287 58 etot -7.1942E+01 mv 6 105 37 117 0 + 4 e 212 61 etot -8.2384E+01 mv 6 105 13 9 0 + 4 e 360 49 etot -8.3272E+01 mv 6 105 197 130 0 + 4 e 278 63 etot -7.5849E+01 mv 6 105 13 191 0 + -1 e 1 86 etot 1.3528E+20 mv 6 105 125 114 0 + 4 e 410 56 etot -8.3312E+01 mv 6 105 37 83 0 + 4 e 216 59 etot -7.5924E+01 mv 6 105 37 31 0 + 4 e 333 31 etot -9.0193E+01 mv 6 105 101 126 0 + 4 e 272 37 etot -9.0007E+01 mv 6 105 101 81 0 + 4 e 235 60 etot -8.6567E+01 mv 6 105 37 135 0 + 4 e 391 45 etot -8.7003E+01 mv 6 105 197 144 0 + 4 e 353 24 etot -7.8216E+01 mv 6 105 191 8 0 + 4 e 343 65 etot -8.8166E+01 mv 6 105 13 32 0 + 4 e 160 84 etot -8.8843E+01 mv 6 105 125 76 0 + 4 e 236 80 etot -8.8736E+01 mv 6 105 81 158 0 + 4 e 229 82 etot -8.8843E+01 mv 6 105 125 148 0 + 4 e 337 69 etot -8.8870E+01 mv 6 105 13 158 0 + 4 e 180 92 etot -7.3407E+01 mv 6 105 65 102 0 + 4 e 351 75 etot -8.7377E+01 mv 6 105 81 84 0 + 4 e 253 85 etot -9.0761E+01 mv 6 105 125 191 0 + -1 e 1 102 etot 1.3528E+20 mv 6 105 135 26 0 + 4 e 105 81 etot -8.9547E+01 mv 6 105 125 74 0 + 4 e 283 83 etot -8.9546E+01 mv 6 105 125 74 0 + 4 e 414 67 etot -8.6068E+01 mv 6 105 13 145 0 + 4 e 382 66 etot -8.2869E+01 mv 6 105 13 115 0 + 4 e 307 78 etot -8.4296E+01 mv 6 105 81 18 0 + 4 e 261 77 etot -8.8735E+01 mv 6 105 81 59 0 + 4 e 273 88 etot -8.0390E+01 mv 6 105 125 79 0 + 4 e 484 55 etot -8.0403E+01 mv 6 105 37 10 0 + 4 e 468 64 etot -8.6940E+01 mv 6 105 13 123 0 + 4 e 421 68 etot -8.8870E+01 mv 6 105 13 68 0 + 4 e 321 71 etot -7.0893E+01 mv 6 105 81 95 0 + 4 e 638 47 etot -9.0499E+01 mv 6 105 197 66 0 + 4 e 426 72 etot -8.1801E+01 mv 6 105 81 38 0 + 4 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177 253 etot -8.8680E+01 mv 2 105 135 -133 0 + 4 e 227 258 etot -6.9223E+01 mv 2 105 59 157 0 + 4 e 168 264 etot -7.3191E+01 mv 2 105 187 16 0 + -1 e 1 282 etot 1.3528E+20 mv 2 105 4 -177 0 + 4 e 288 256 etot -7.9655E+01 mv 2 105 59 13 0 + 4 e 274 252 etot -7.4372E+01 mv 2 105 135 -34 0 + 4 e 155 278 etot -8.8124E+01 mv 2 105 12 45 0 + 4 e 186 272 etot -7.3995E+01 mv 2 105 50 78 0 + 4 e 266 263 etot -8.7053E+01 mv 2 105 187 -86 0 + 4 e 261 270 etot -8.7424E+01 mv 2 105 142 -90 0 + 4 e 523 248 etot -8.2514E+01 mv 2 105 65 -169 0 + 4 e 467 251 etot -8.8679E+01 mv 2 105 135 -190 0 + 4 e 352 249 etot -7.4203E+01 mv 2 105 65 137 0 + 4 e 340 262 etot -7.5008E+01 mv 2 105 187 167 0 + 4 e 252 273 etot -8.4107E+01 mv 2 105 50 -192 0 + 4 e 203 283 etot -8.8115E+01 mv 2 105 4 -56 0 + 4 e 349 269 etot -8.0902E+01 mv 2 105 142 -94 0 + 4 e 253 281 etot -8.6309E+01 mv 2 105 4 -83 0 + 4 e 415 255 etot -8.2254E+01 mv 2 105 135 40 0 + 4 e 172 286 etot -8.8861E+01 mv 2 105 158 -56 0 + -1 e 1 299 etot 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etot -8.3927E+01 mv 1 105 13 -198 0 + 4 e 214 340 etot -8.8736E+01 mv 1 105 81 -116 0 + 4 e 193 347 etot -8.9446E+01 mv 1 105 65 90 0 + 4 e 328 333 etot -8.1699E+01 mv 1 105 13 -188 0 + 4 e 194 351 etot -8.8680E+01 mv 1 105 135 43 0 + 4 e 397 329 etot -8.2200E+01 mv 1 105 37 87 0 + 4 e 303 337 etot -8.4314E+01 mv 1 105 81 -1 0 + 4 e 244 346 etot -8.9445E+01 mv 1 105 65 -159 0 + 4 e 454 327 etot -8.1146E+01 mv 1 105 37 -19 0 + 4 e 316 339 etot -8.7380E+01 mv 1 105 81 106 0 + 4 e 187 343 etot -8.8844E+01 mv 1 105 125 193 0 + -1 e 1 371 etot 1.3528E+20 mv 1 105 50 70 0 + 4 e 318 328 etot -8.8687E+01 mv 1 105 37 91 0 + 4 e 212 344 etot -8.8843E+01 mv 1 105 125 -103 0 + 4 e 171 361 etot -8.7562E+01 mv 1 105 187 2 0 + 4 e 291 350 etot -8.9445E+01 mv 1 105 65 188 0 + 4 e 269 353 etot -8.8557E+01 mv 1 105 135 27 0 + 4 e 292 352 etot -7.2489E+01 mv 1 105 135 108 0 + 4 e 358 342 etot -8.1759E+01 mv 1 105 125 -71 0 + 4 e 355 330 etot -8.9074E+01 mv 1 105 37 -146 0 + 4 e 276 357 etot -7.9448E+01 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-116 0 + 4 e 222 386 etot -8.8861E+01 mv 1 105 158 77 0 + 4 e 442 369 etot -8.4343E+01 mv 1 105 142 -11 0 + 4 e 546 334 etot -8.3017E+01 mv 1 105 13 134 0 + 4 e 2 404 etot -9.0194E+01 mv 0 105 101 0 0 + 4 e 535 336 etot -8.4602E+01 mv 1 105 81 -187 0 + 4 e 274 383 etot -8.7885E+01 mv 1 105 4 -108 0 + 4 e 2 405 etot -8.9188E+01 mv 0 105 197 0 0 + 4 e 2 403 etot -9.0761E+01 mv 0 105 191 0 0 + 4 e 2 406 etot -8.9075E+01 mv 0 105 37 0 0 + 4 e 2 407 etot -8.8871E+01 mv 0 105 13 0 0 + 4 e 2 409 etot -8.8844E+01 mv 0 105 125 0 0 + 4 e 2 411 etot -8.8680E+01 mv 0 105 135 0 0 + 4 e 2 412 etot -8.8574E+01 mv 0 105 59 0 0 + 4 e 2 414 etot -8.8225E+01 mv 0 105 142 0 0 + 4 e 387 377 etot -8.4970E+01 mv 1 105 12 -112 0 + 4 e 10 410 etot -8.9446E+01 mv 0 105 65 0 0 c 65 0.0 0.0 + 4 e 10 415 etot -8.8222E+01 mv 0 105 50 0 0 c 50 0.0 0.0 + 4 e 2 417 etot -8.8116E+01 mv 0 105 4 0 0 + 4 e 33 402 etot -8.7444E+01 mv 0 105 8 0 0 c 8 0.1 0.0 +## N0 total= 21 close= 9 far= 0 %acc 42.9 +## N1 total= 99 close= 0 far= 0 %acc 0.0 +## N2 total= 100 close= 0 far= 0 %acc 0.0 +## N3 total= 0 close= 0 far= 0 %acc 0.0 +## N4 total= 0 close= 0 far= 0 %acc 0.0 +## N5 total= 0 close= 0 far= 0 %acc 0.0 +## N6 total= 200 close= 4 far= 2 %acc 3.0 +## N7 total= 0 close= 0 far= 0 %acc 0.0 +## N8 total= 0 close= 0 far= 0 %acc 0.0 +## N9 total= 0 close= 0 far= 0 %acc 0.0 +##N10 total= 0 close= 0 far= 0 %acc 0.0 +##N11 total= 0 close= 0 far= 0 %acc 0.0 +##N12 total= 0 close= 0 far= 0 %acc 0.0 +##N13 total= 0 close= 0 far= 0 %acc 0.0 +##N14 total= 0 close= 0 far= 0 %acc 0.0 +##N15 total= 0 close= 0 far= 0 %acc 0.0 +##N16 total= 0 close= 0 far= 0 %acc 0.0 +##N17 total= 0 close= 0 far= 0 %acc 0.0 +##N18 total= 0 close= 0 far= 0 %acc 0.0 + Time for refresh 106 0.36 + sending halt to 1 + node 1 finished 1 12998969 + sending halt to 2 + node 2 finished 2 12998990 + sending halt to 3 + node 3 finished 3 12999546 + sending halt to 4 + node 4 finished 4 13000001 + sending halt to 5 + node 5 finished 5 13000648 + sending halt to 6 + node 6 finished 6 13000659 + sending halt to 7 + node 7 finished 7 13000870 + sending halt to 8 + node 8 finished 8 13001096 + sending halt to 9 + node 9 finished 9 13001533 + sending halt to 10 + node 10 finished 10 13001661 + sending halt to 11 + node 11 finished 11 13002337 + sending halt to 12 + node 12 finished 12 13002807 + sending halt to 13 + node 13 finished 13 13003198 + sending halt to 14 + node 14 finished 14 13003628 + sending halt to 15 + node 15 finished 15 13004174 + sending halt to 16 + node 16 finished 16 13004608 + sending halt to 17 + node 17 finished 17 13004781 + sending halt to 18 + node 18 finished 18 13005418 + sending halt to 19 + node 19 finished 19 13005440 + sending halt to 20 + node 20 finished 20 13005782 + sending halt to 21 + node 21 finished 21 13006073 + sending halt to 22 + node 22 finished 22 13006165 + sending halt to 23 + node 23 finished 23 13006575 + sending halt to 24 + node 24 finished 24 13006858 + sending halt to 25 + node 25 finished 25 13006918 + sending halt to 26 + node 26 finished 26 13007569 + sending halt to 27 + node 27 finished 27 13007875 + sending halt to 28 + node 28 finished 28 13008546 + sending halt to 29 + node 29 finished 29 13009035 + sending halt to 30 + node 30 finished 30 13009486 + sending halt to 31 + node 31 finished 31 13009808 + End of cycle, master time for 106 iters 220.429687500000 sec + Total eval/s 58569.4020910863 + worker 1 OK 0.000000000000000E+000 + worker 2 OK 0.000000000000000E+000 + worker 3 OK 0.000000000000000E+000 + worker 4 OK 0.000000000000000E+000 + worker 5 OK 0.000000000000000E+000 + worker 6 OK 0.000000000000000E+000 + worker 7 OK 0.000000000000000E+000 + worker 8 OK 0.000000000000000E+000 + worker 9 OK 3.906250000000000E-003 + worker 10 OK 0.000000000000000E+000 + worker 11 OK 0.000000000000000E+000 + worker 12 OK 0.000000000000000E+000 + worker 13 OK 0.000000000000000E+000 + worker 14 OK 0.000000000000000E+000 + worker 15 OK 0.000000000000000E+000 + worker 16 OK 0.000000000000000E+000 + worker 17 OK 0.000000000000000E+000 + worker 18 OK 0.000000000000000E+000 + worker 19 OK 0.000000000000000E+000 + worker 20 OK 0.000000000000000E+000 + worker 21 OK 0.000000000000000E+000 + worker 22 OK 3.906250000000000E-003 + worker 23 OK 0.000000000000000E+000 + worker 24 OK 0.000000000000000E+000 + worker 25 OK 0.000000000000000E+000 + worker 26 OK 0.000000000000000E+000 + worker 27 OK 0.000000000000000E+000 + worker 28 OK 0.000000000000000E+000 + worker 29 OK 0.000000000000000E+000 + worker 30 OK 0.000000000000000E+000 + worker 31 OK 0.000000000000000E+000 + UPDATING 31 + 4 e 21 416 etot -8.8124E+01 mv 0 105 12 0 0 c 12 0.0 0.0 + 4 e 556 362 etot -7.7817E+01 mv 1 105 187 -63 0 + 4 e 455 394 etot -8.7919E+01 mv 1 105 199 -180 0 + 4 e 647 363 etot -8.5340E+01 mv 1 105 187 51 0 + 4 e 11 420 etot -8.7827E+01 mv 0 105 45 0 0 c 45 0.0 0.0 + 4 e 211 393 etot -8.7921E+01 mv 1 105 199 137 0 + 4 e 226 389 etot -8.8861E+01 mv 1 105 158 99 0 + 4 e 437 398 etot -8.7826E+01 mv 1 105 45 56 0 + 4 e 128 413 etot -8.8516E+01 mv 0 105 187 0 0 + 4 e 676 367 etot -8.2651E+01 mv 1 105 142 -138 0 + 4 e 470 379 etot -7.6471E+01 mv 1 105 12 48 0 + 4 e 391 378 etot -8.8123E+01 mv 1 105 12 62 0 + 4 e 430 384 etot -7.7229E+01 mv 1 105 4 65 0 + 4 e 546 391 etot -7.9181E+01 mv 1 105 199 -122 0 + 4 e 434 385 etot -7.8258E+01 mv 1 105 4 -193 0 + 4 e 173 401 etot -9.0109E+01 mv 0 105 15 0 0 + 4 e 637 395 etot -8.0775E+01 mv 1 105 199 150 0 + 4 e 22 418 etot -8.8861E+01 mv 0 105 158 0 0 + 4 e 342 396 etot -8.7826E+01 mv 1 105 45 -39 0 + 4 e 291 397 etot -8.7827E+01 mv 1 105 45 -76 0 + 4 e 92 408 etot -8.8736E+01 mv 0 105 81 0 0 + 4 e 410 387 etot -7.9995E+01 mv 1 105 158 -200 0 + 4 e 283 390 etot -8.8860E+01 mv 1 105 158 -123 0 + 4 e 60 419 etot -8.7921E+01 mv 0 105 199 0 0 c 199 0.1 0.0 + 4 e 651 356 etot -7.6200E+01 mv 1 105 59 -37 0 + 4 e 306 392 etot -8.7920E+01 mv 1 105 199 6 0 + 4 e 671 399 etot -8.1853E+01 mv 1 105 45 16 0 + 4 e 489 380 etot -7.7558E+01 mv 1 105 12 156 0 + 4 e 451 388 etot -8.5404E+01 mv 1 105 158 -136 0 + 4 e 322 373 etot -8.3739E+01 mv 1 105 50 -135 0 + 4 e 312 372 etot -8.9091E+01 mv 1 105 50 -33 0 +## N0 total= 7 close= 3 far= 0 %acc 42.9 +## N1 total= 24 close= 0 far= 0 %acc 0.0 +## N2 total= 0 close= 0 far= 0 %acc 0.0 +## N3 total= 0 close= 0 far= 0 %acc 0.0 +## N4 total= 0 close= 0 far= 0 %acc 0.0 +## N5 total= 0 close= 0 far= 0 %acc 0.0 +## N6 total= 0 close= 0 far= 0 %acc 0.0 +## N7 total= 0 close= 0 far= 0 %acc 0.0 +## N8 total= 0 close= 0 far= 0 %acc 0.0 +## N9 total= 0 close= 0 far= 0 %acc 0.0 +##N10 total= 0 close= 0 far= 0 %acc 0.0 +##N11 total= 0 close= 0 far= 0 %acc 0.0 +##N12 total= 0 close= 0 far= 0 %acc 0.0 +##N13 total= 0 close= 0 far= 0 %acc 0.0 +##N14 total= 0 close= 0 far= 0 %acc 0.0 +##N15 total= 0 close= 0 far= 0 %acc 0.0 +##N16 total= 0 close= 0 far= 0 %acc 0.0 +##N17 total= 0 close= 0 far= 0 %acc 0.0 +##N18 total= 0 close= 0 far= 0 %acc 0.0 + ### Total stats: +### N0 total= 2120 close=1115 far= 0 %acc 52.6 +### N1 total= 10600 close= 641 far= 97 %acc 7.0 +### N2 total= 10600 close= 630 far= 158 %acc 7.4 +### N3 total= 0 close= 0 far= 0 %acc 0.0 +### N4 total= 0 close= 0 far= 0 %acc 0.0 +### N5 total= 0 close= 0 far= 0 %acc 0.0 +### N6 total= 21200 close=2358 far= 477 %acc 13.4 +### N7 total= 0 close= 0 far= 0 %acc 0.0 +### N8 total= 0 close= 0 far= 0 %acc 0.0 +### N9 total= 0 close= 0 far= 0 %acc 0.0 +###N10 total= 0 close= 0 far= 0 %acc 0.0 +###N11 total= 0 close= 0 far= 0 %acc 0.0 +###N12 total= 0 close= 0 far= 0 %acc 0.0 +###N13 total= 0 close= 0 far= 0 %acc 0.0 +###N14 total= 0 close= 0 far= 0 %acc 0.0 +###N15 total= 0 close= 0 far= 0 %acc 0.0 +###N16 total= 0 close= 0 far= 0 %acc 0.0 +###N17 total= 0 close= 0 far= 0 %acc 0.0 +###N18 total= 0 close= 0 far= 0 %acc 0.0 + End of RUN, master time 220.753906250000 sec + Total eval/s 58483.3818767363 +CG processor 0 is finishing work. + Total wall clock time 224.535156250000 sec diff --git a/examples/unres/CSA/GAB/CSA/global/restrained/1l2y_csa.out_GB001 b/examples/unres/CSA/GAB/CSA/global/restrained/1l2y_csa.out_GB001 new file mode 100644 index 0000000..eb8a0f6 --- /dev/null +++ b/examples/unres/CSA/GAB/CSA/global/restrained/1l2y_csa.out_GB001 @@ -0,0 +1,1919 @@ +******************************************************************************** +United-residue force field calculation - parallel job. +******************************************************************************** + MPI: node= 1 iseed= -6119485 + ran_num 0.547506363186177 +RMSDBC = 3.0 +RMSDBC1 = 0.5 +RMSDBC1MAX = 1.5 +DRMS = 0.1 +RMSDBCM = 3.0 +Time limit (min): 960.0 + RESCALE_MODE 0 +Library routine used to diagonalize matrices. + +******************************************************************************** + Options in energy minimization: +******************************************************************************** +MaxMin: 3000 MaxFun: 1000MinMin: 3000 MinFun: 3000 TolF: 1.00000E-02 RTolF: 1.00000E-04 + NCONF_IN 0 + +Energy-term weights (unscaled): + +WSCC= 1.352790 (SC-SC) +WSCP= 1.593040 (SC-p) +WELEC= 0.715340 (p-p electr) +WVDWPP= 0.113710 (p-p VDW) +WBOND= 1.000000 (stretching) +WANG= 1.138730 (bending) +WSCLOC= 0.162580 (SC local) +WTOR= 1.985990 (torsional) +WTORD= 1.570690 (double torsional) +WSTRAIN= 1.000000 (SS bridges & dist. cnstr.) +WEL_LOC= 0.160360 (multi-body 3-rd order) +WCORR4= 0.428870 (multi-body 4th order) +WCORR5= 0.000000 (multi-body 5th order) +WCORR6= 0.000000 (multi-body 6th order) +WSCCOR= 0.000000 (back-scloc correlation) +WTURN3= 1.687220 (turns, 3rd order) +WTURN4= 0.662300 (turns, 4th order) +WTURN6= 0.000000 (turns, 6th order) +WDFA_D= 0.000000 (DFA, distance) +WDFA_T= 0.000000 (DFA, torsional) +WDFA_N= 0.000000 (DFA, number of neighbor) +WDFA_B= 0.000000 (DFA, beta formation) + +Hydrogen-bonding correlation between contact pairs of peptide groups + +Scaling factor of 1,4 SC-p interactions: 0.400 +General scaling factor of SC-p interactions: 1.000 + +Energy-term weights (scaled): + +WSCC= 1.352790 (SC-SC) +WSCP= 1.593040 (SC-p) +WELEC= 0.715340 (p-p electr) +WVDWPP= 0.113710 (p-p VDW) +WBOND= 1.000000 (stretching) +WANG= 1.138730 (bending) +WSCLOC= 0.162580 (SC local) +WTOR= 1.985990 (torsional) +WTORD= 1.570690 (double torsional) +WSTRAIN= 1.000000 (SS bridges & dist. cnstr.) +WEL_LOC= 0.160360 (multi-body 3-rd order) +WCORR4= 0.428870 (multi-body 4th order) +WCORR5= 0.000000 (multi-body 5th order) +WCORR6= 0.000000 (multi-body 6th order) +WSCCOR= 0.000000 (back-scloc correlatkion) +WTURN3= 1.687220 (turns, 3rd order) +WTURN4= 0.662300 (turns, 4th order) +WTURN6= 0.000000 (turns, 6th order) +WDFA_D= 0.000000 (DFA, distance) +WDFA_T= 0.000000 (DFA, torsional) +WDFA_N= 0.000000 (DFA, number of neighbor) +WDFA_B= 0.000000 (DFA, beta formation) + Reference temperature for weights calculation: 300.000000000000 + Parameters of the SS-bond potential: + D0CM 3.78000000000000 AKCM 15.1000000000000 AKTH + 11.0000000000000 AKCT 12.0000000000000 + V1SS -1.08000000000000 V2SS 7.61000000000000 V3SS + 13.7000000000000 + EBR -5.50000000000000 + ITEL + 1 21 0 + 2 14 1 + 3 5 1 + 4 8 1 + 5 4 1 + 6 13 1 + 7 7 1 + 8 5 1 + 9 19 1 + 10 16 1 + 11 10 1 + 12 10 2 + 13 20 1 + 14 12 1 + 15 12 1 + 16 10 1 + 17 18 2 + 18 20 2 + 19 20 2 + 20 20 1 + 21 12 0 + ns= 0 iss: + There are 22 constraints on phi angles. + 1 0.000 180.000 + 2 0.000 180.000 + 3 0.000 180.000 + 4 0.000 180.000 + 5 0.000 180.000 + 6 0.000 180.000 + 7 45.000 5.000 + 8 45.000 5.000 + 9 45.000 5.000 + 10 45.000 5.000 + 11 45.000 5.000 + 12 45.000 5.000 + 13 0.000 180.000 + 14 0.000 180.000 + 15 0.000 180.000 + 16 0.000 180.000 + 17 0.000 180.000 + 18 0.000 180.000 + 19 0.000 180.000 + 20 0.000 180.000 + 21 0.000 180.000 + 22 0.000 180.000 + FTORS 0.000000000000000E+000 + NZ_START= 2 NZ_END= 21 + IZ_SC= 0 + +Geometry of the virtual chain. + Res d Theta Gamma Dsc Alpha Beta +D 1 0.000 0.000 0.000 0.000 0.000 0.000 +ASN 2 3.800 0.000 0.000 1.684 0.000 0.000 +LEU 3 3.800 0.000 0.000 1.939 0.000 0.000 +TYR 4 3.800 0.000 0.000 2.484 0.000 0.000 +ILE 5 3.800 0.000 0.000 1.776 0.000 0.000 +GLN 6 3.800 0.000 0.000 2.240 0.000 0.000 +TRP 7 3.800 0.000 0.000 2.605 0.000 0.000 +LEU 8 3.800 0.000 0.000 1.939 0.000 0.000 +LYS 9 3.800 0.000 0.000 2.541 0.000 0.000 +ASP 10 3.800 0.000 0.000 1.709 0.000 0.000 +GLY 11 3.800 0.000 0.000 0.000 0.000 0.000 +GLY 12 3.800 0.000 0.000 0.000 0.000 0.000 +PRO 13 3.800 0.000 0.000 1.345 0.000 0.000 +SER 14 3.800 0.000 0.000 1.150 0.000 0.000 +SER 15 3.800 0.000 0.000 1.150 0.000 0.000 +GLY 16 3.800 0.000 0.000 0.000 0.000 0.000 +ARG 17 3.800 0.000 0.000 3.020 0.000 0.000 +PRO 18 3.800 0.000 0.000 1.345 0.000 0.000 +PRO 19 3.800 0.000 0.000 1.345 0.000 0.000 +PRO 20 3.800 0.000 0.000 1.345 0.000 0.000 +SER 21 3.800 0.000 0.000 1.150 0.000 0.000 +D 22 3.800 0.000 0.000 0.000 0.000 0.000 + + +******************************************************************************** + Processor 1: end reading molecular data. +******************************************************************************** + + +CSA calculations calculation. + +Conformations will be energy-minimized. +******************************************************************************** + +Waiting for 0.1367 sec +Waiting for 0.0742 sec +Waiting for 0.0195 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0195 sec + Finishing minim_jlee - signal 0 from master +Waiting for 0.6016 sec +Waiting for 0.0195 sec +Waiting for 0.0000 sec +Waiting for 0.0586 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0352 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2969 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0156 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.5195 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2656 sec +Waiting for 0.0000 sec +Waiting for 0.0195 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.4922 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3086 sec +Waiting for 0.0391 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.4922 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2734 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0156 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2578 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.4648 sec +Waiting for 0.0234 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3320 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.4453 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3008 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0508 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.4844 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3633 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.2539 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3242 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.4570 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3047 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.3555 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.4375 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.4766 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3672 sec +Waiting for 0.0000 sec +Waiting for 0.0625 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.6367 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0664 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec 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+Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 1.0898 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.6953 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.5664 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.4453 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3594 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3203 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3906 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2539 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0547 sec +Waiting for 0.3516 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3125 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.4805 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3477 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3672 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3047 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.4258 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2891 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3945 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.3164 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.5820 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3047 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.6172 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.6484 sec + Finishing minim_jlee - signal 0 from master + End of minim, proc 1 time 220.976562500000 +CG processor 1 is finishing work. + Total wall clock time 224.535156250000 sec diff --git a/examples/unres/CSA/GAB/CSA/global/restrained/1l2y_csa.out_GB002 b/examples/unres/CSA/GAB/CSA/global/restrained/1l2y_csa.out_GB002 new file mode 100644 index 0000000..d6a0f81 --- /dev/null +++ b/examples/unres/CSA/GAB/CSA/global/restrained/1l2y_csa.out_GB002 @@ -0,0 +1,1873 @@ +******************************************************************************** +United-residue force field calculation - parallel job. +******************************************************************************** + MPI: node= 2 iseed= -9179228 + ran_num 0.821258609038956 +RMSDBC = 3.0 +RMSDBC1 = 0.5 +RMSDBC1MAX = 1.5 +DRMS = 0.1 +RMSDBCM = 3.0 +Time limit (min): 960.0 + RESCALE_MODE 0 +Library routine used to diagonalize matrices. + +******************************************************************************** + Options in energy minimization: +******************************************************************************** +MaxMin: 3000 MaxFun: 1000MinMin: 3000 MinFun: 3000 TolF: 1.00000E-02 RTolF: 1.00000E-04 + NCONF_IN 0 + +Energy-term weights (unscaled): + +WSCC= 1.352790 (SC-SC) +WSCP= 1.593040 (SC-p) +WELEC= 0.715340 (p-p electr) +WVDWPP= 0.113710 (p-p VDW) +WBOND= 1.000000 (stretching) +WANG= 1.138730 (bending) +WSCLOC= 0.162580 (SC local) +WTOR= 1.985990 (torsional) +WTORD= 1.570690 (double torsional) +WSTRAIN= 1.000000 (SS bridges & dist. cnstr.) +WEL_LOC= 0.160360 (multi-body 3-rd order) +WCORR4= 0.428870 (multi-body 4th order) +WCORR5= 0.000000 (multi-body 5th order) +WCORR6= 0.000000 (multi-body 6th order) +WSCCOR= 0.000000 (back-scloc correlation) +WTURN3= 1.687220 (turns, 3rd order) +WTURN4= 0.662300 (turns, 4th order) +WTURN6= 0.000000 (turns, 6th order) +WDFA_D= 0.000000 (DFA, distance) +WDFA_T= 0.000000 (DFA, torsional) +WDFA_N= 0.000000 (DFA, number of neighbor) +WDFA_B= 0.000000 (DFA, beta formation) + +Hydrogen-bonding correlation between contact pairs of peptide groups + +Scaling factor of 1,4 SC-p interactions: 0.400 +General scaling factor of SC-p interactions: 1.000 + +Energy-term weights (scaled): + +WSCC= 1.352790 (SC-SC) +WSCP= 1.593040 (SC-p) +WELEC= 0.715340 (p-p electr) +WVDWPP= 0.113710 (p-p VDW) +WBOND= 1.000000 (stretching) +WANG= 1.138730 (bending) +WSCLOC= 0.162580 (SC local) +WTOR= 1.985990 (torsional) +WTORD= 1.570690 (double torsional) +WSTRAIN= 1.000000 (SS bridges & dist. cnstr.) +WEL_LOC= 0.160360 (multi-body 3-rd order) +WCORR4= 0.428870 (multi-body 4th order) +WCORR5= 0.000000 (multi-body 5th order) +WCORR6= 0.000000 (multi-body 6th order) +WSCCOR= 0.000000 (back-scloc correlatkion) +WTURN3= 1.687220 (turns, 3rd order) +WTURN4= 0.662300 (turns, 4th order) +WTURN6= 0.000000 (turns, 6th order) +WDFA_D= 0.000000 (DFA, distance) +WDFA_T= 0.000000 (DFA, torsional) +WDFA_N= 0.000000 (DFA, number of neighbor) +WDFA_B= 0.000000 (DFA, beta formation) + Reference temperature for weights calculation: 300.000000000000 + Parameters of the SS-bond potential: + D0CM 3.78000000000000 AKCM 15.1000000000000 AKTH + 11.0000000000000 AKCT 12.0000000000000 + V1SS -1.08000000000000 V2SS 7.61000000000000 V3SS + 13.7000000000000 + EBR -5.50000000000000 + ITEL + 1 21 0 + 2 14 1 + 3 5 1 + 4 8 1 + 5 4 1 + 6 13 1 + 7 7 1 + 8 5 1 + 9 19 1 + 10 16 1 + 11 10 1 + 12 10 2 + 13 20 1 + 14 12 1 + 15 12 1 + 16 10 1 + 17 18 2 + 18 20 2 + 19 20 2 + 20 20 1 + 21 12 0 + ns= 0 iss: + There are 22 constraints on phi angles. + 1 0.000 180.000 + 2 0.000 180.000 + 3 0.000 180.000 + 4 0.000 180.000 + 5 0.000 180.000 + 6 0.000 180.000 + 7 45.000 5.000 + 8 45.000 5.000 + 9 45.000 5.000 + 10 45.000 5.000 + 11 45.000 5.000 + 12 45.000 5.000 + 13 0.000 180.000 + 14 0.000 180.000 + 15 0.000 180.000 + 16 0.000 180.000 + 17 0.000 180.000 + 18 0.000 180.000 + 19 0.000 180.000 + 20 0.000 180.000 + 21 0.000 180.000 + 22 0.000 180.000 + FTORS 0.000000000000000E+000 + NZ_START= 2 NZ_END= 21 + IZ_SC= 0 + +Geometry of the virtual chain. + Res d Theta Gamma Dsc Alpha Beta +D 1 0.000 0.000 0.000 0.000 0.000 0.000 +ASN 2 3.800 0.000 0.000 1.684 0.000 0.000 +LEU 3 3.800 0.000 0.000 1.939 0.000 0.000 +TYR 4 3.800 0.000 0.000 2.484 0.000 0.000 +ILE 5 3.800 0.000 0.000 1.776 0.000 0.000 +GLN 6 3.800 0.000 0.000 2.240 0.000 0.000 +TRP 7 3.800 0.000 0.000 2.605 0.000 0.000 +LEU 8 3.800 0.000 0.000 1.939 0.000 0.000 +LYS 9 3.800 0.000 0.000 2.541 0.000 0.000 +ASP 10 3.800 0.000 0.000 1.709 0.000 0.000 +GLY 11 3.800 0.000 0.000 0.000 0.000 0.000 +GLY 12 3.800 0.000 0.000 0.000 0.000 0.000 +PRO 13 3.800 0.000 0.000 1.345 0.000 0.000 +SER 14 3.800 0.000 0.000 1.150 0.000 0.000 +SER 15 3.800 0.000 0.000 1.150 0.000 0.000 +GLY 16 3.800 0.000 0.000 0.000 0.000 0.000 +ARG 17 3.800 0.000 0.000 3.020 0.000 0.000 +PRO 18 3.800 0.000 0.000 1.345 0.000 0.000 +PRO 19 3.800 0.000 0.000 1.345 0.000 0.000 +PRO 20 3.800 0.000 0.000 1.345 0.000 0.000 +SER 21 3.800 0.000 0.000 1.150 0.000 0.000 +D 22 3.800 0.000 0.000 0.000 0.000 0.000 + + +******************************************************************************** + Processor 2: end reading molecular data. +******************************************************************************** + + +CSA calculations calculation. + +Conformations will be energy-minimized. +******************************************************************************** + +Waiting for 0.1406 sec +Waiting for 0.0000 sec +Waiting for 0.0273 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec + Finishing minim_jlee - signal 0 from master +Waiting for 0.6016 sec +Waiting for 0.0000 sec +Waiting for 0.0312 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0352 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0273 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.4727 sec +Waiting for 0.0195 sec +Waiting for 0.0156 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0078 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.4805 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2969 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0352 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.4727 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3320 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.4922 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2812 sec +Waiting for 0.0000 sec +Waiting for 0.0273 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0117 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3203 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.5078 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2109 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0508 sec +Waiting for 0.0000 sec +Waiting for 0.0078 sec +Waiting for 0.4453 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2891 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 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0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.4062 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2773 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.4688 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3867 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.4375 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.6484 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.6836 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.1992 sec +Waiting for 1.0352 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.5352 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 1.4727 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 1.0664 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.7031 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.5625 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.5430 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3711 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3086 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3281 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3672 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0078 sec +Waiting for 0.3242 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3086 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.4688 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3164 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3672 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3594 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3984 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3242 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.4102 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3594 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.5742 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2969 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.6484 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.6523 sec + Finishing minim_jlee - signal 0 from master + End of minim, proc 2 time 220.976562500000 +CG processor 2 is finishing work. + Total wall clock time 224.535156250000 sec diff --git a/examples/unres/CSA/GAB/CSA/global/restrained/1l2y_csa.out_GB003 b/examples/unres/CSA/GAB/CSA/global/restrained/1l2y_csa.out_GB003 new file mode 100644 index 0000000..de3a58b --- /dev/null +++ b/examples/unres/CSA/GAB/CSA/global/restrained/1l2y_csa.out_GB003 @@ -0,0 +1,1893 @@ +******************************************************************************** +United-residue force field calculation - parallel job. +******************************************************************************** + MPI: node= 3 iseed= -12238971 + ran_num 9.501085489173544E-002 +RMSDBC = 3.0 +RMSDBC1 = 0.5 +RMSDBC1MAX = 1.5 +DRMS = 0.1 +RMSDBCM = 3.0 +Time limit (min): 960.0 + RESCALE_MODE 0 +Library routine used to diagonalize matrices. + +******************************************************************************** + Options in energy minimization: +******************************************************************************** +MaxMin: 3000 MaxFun: 1000MinMin: 3000 MinFun: 3000 TolF: 1.00000E-02 RTolF: 1.00000E-04 + NCONF_IN 0 + +Energy-term weights (unscaled): + +WSCC= 1.352790 (SC-SC) +WSCP= 1.593040 (SC-p) +WELEC= 0.715340 (p-p electr) +WVDWPP= 0.113710 (p-p VDW) +WBOND= 1.000000 (stretching) +WANG= 1.138730 (bending) +WSCLOC= 0.162580 (SC local) +WTOR= 1.985990 (torsional) +WTORD= 1.570690 (double torsional) +WSTRAIN= 1.000000 (SS bridges & dist. cnstr.) +WEL_LOC= 0.160360 (multi-body 3-rd order) +WCORR4= 0.428870 (multi-body 4th order) +WCORR5= 0.000000 (multi-body 5th order) +WCORR6= 0.000000 (multi-body 6th order) +WSCCOR= 0.000000 (back-scloc correlation) +WTURN3= 1.687220 (turns, 3rd order) +WTURN4= 0.662300 (turns, 4th order) +WTURN6= 0.000000 (turns, 6th order) +WDFA_D= 0.000000 (DFA, distance) +WDFA_T= 0.000000 (DFA, torsional) +WDFA_N= 0.000000 (DFA, number of neighbor) +WDFA_B= 0.000000 (DFA, beta formation) + +Hydrogen-bonding correlation between contact pairs of peptide groups + +Scaling factor of 1,4 SC-p interactions: 0.400 +General scaling factor of SC-p interactions: 1.000 + +Energy-term weights (scaled): + +WSCC= 1.352790 (SC-SC) +WSCP= 1.593040 (SC-p) +WELEC= 0.715340 (p-p electr) +WVDWPP= 0.113710 (p-p VDW) +WBOND= 1.000000 (stretching) +WANG= 1.138730 (bending) +WSCLOC= 0.162580 (SC local) +WTOR= 1.985990 (torsional) +WTORD= 1.570690 (double torsional) +WSTRAIN= 1.000000 (SS bridges & dist. cnstr.) +WEL_LOC= 0.160360 (multi-body 3-rd order) +WCORR4= 0.428870 (multi-body 4th order) +WCORR5= 0.000000 (multi-body 5th order) +WCORR6= 0.000000 (multi-body 6th order) +WSCCOR= 0.000000 (back-scloc correlatkion) +WTURN3= 1.687220 (turns, 3rd order) +WTURN4= 0.662300 (turns, 4th order) +WTURN6= 0.000000 (turns, 6th order) +WDFA_D= 0.000000 (DFA, distance) +WDFA_T= 0.000000 (DFA, torsional) +WDFA_N= 0.000000 (DFA, number of neighbor) +WDFA_B= 0.000000 (DFA, beta formation) + Reference temperature for weights calculation: 300.000000000000 + Parameters of the SS-bond potential: + D0CM 3.78000000000000 AKCM 15.1000000000000 AKTH + 11.0000000000000 AKCT 12.0000000000000 + V1SS -1.08000000000000 V2SS 7.61000000000000 V3SS + 13.7000000000000 + EBR -5.50000000000000 + ITEL + 1 21 0 + 2 14 1 + 3 5 1 + 4 8 1 + 5 4 1 + 6 13 1 + 7 7 1 + 8 5 1 + 9 19 1 + 10 16 1 + 11 10 1 + 12 10 2 + 13 20 1 + 14 12 1 + 15 12 1 + 16 10 1 + 17 18 2 + 18 20 2 + 19 20 2 + 20 20 1 + 21 12 0 + ns= 0 iss: + There are 22 constraints on phi angles. + 1 0.000 180.000 + 2 0.000 180.000 + 3 0.000 180.000 + 4 0.000 180.000 + 5 0.000 180.000 + 6 0.000 180.000 + 7 45.000 5.000 + 8 45.000 5.000 + 9 45.000 5.000 + 10 45.000 5.000 + 11 45.000 5.000 + 12 45.000 5.000 + 13 0.000 180.000 + 14 0.000 180.000 + 15 0.000 180.000 + 16 0.000 180.000 + 17 0.000 180.000 + 18 0.000 180.000 + 19 0.000 180.000 + 20 0.000 180.000 + 21 0.000 180.000 + 22 0.000 180.000 + FTORS 0.000000000000000E+000 + NZ_START= 2 NZ_END= 21 + IZ_SC= 0 + +Geometry of the virtual chain. + Res d Theta Gamma Dsc Alpha Beta +D 1 0.000 0.000 0.000 0.000 0.000 0.000 +ASN 2 3.800 0.000 0.000 1.684 0.000 0.000 +LEU 3 3.800 0.000 0.000 1.939 0.000 0.000 +TYR 4 3.800 0.000 0.000 2.484 0.000 0.000 +ILE 5 3.800 0.000 0.000 1.776 0.000 0.000 +GLN 6 3.800 0.000 0.000 2.240 0.000 0.000 +TRP 7 3.800 0.000 0.000 2.605 0.000 0.000 +LEU 8 3.800 0.000 0.000 1.939 0.000 0.000 +LYS 9 3.800 0.000 0.000 2.541 0.000 0.000 +ASP 10 3.800 0.000 0.000 1.709 0.000 0.000 +GLY 11 3.800 0.000 0.000 0.000 0.000 0.000 +GLY 12 3.800 0.000 0.000 0.000 0.000 0.000 +PRO 13 3.800 0.000 0.000 1.345 0.000 0.000 +SER 14 3.800 0.000 0.000 1.150 0.000 0.000 +SER 15 3.800 0.000 0.000 1.150 0.000 0.000 +GLY 16 3.800 0.000 0.000 0.000 0.000 0.000 +ARG 17 3.800 0.000 0.000 3.020 0.000 0.000 +PRO 18 3.800 0.000 0.000 1.345 0.000 0.000 +PRO 19 3.800 0.000 0.000 1.345 0.000 0.000 +PRO 20 3.800 0.000 0.000 1.345 0.000 0.000 +SER 21 3.800 0.000 0.000 1.150 0.000 0.000 +D 22 3.800 0.000 0.000 0.000 0.000 0.000 + + +******************************************************************************** + Processor 3: end reading molecular data. +******************************************************************************** + + +CSA calculations calculation. + +Conformations will be energy-minimized. +******************************************************************************** + +Waiting for 0.1367 sec +Waiting for 0.0000 sec +Waiting for 0.0586 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec + Finishing minim_jlee - signal 0 from master +Waiting for 0.6016 sec +Waiting for 0.0352 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.4453 sec +Waiting for 0.0195 sec +Waiting for 0.0508 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0195 sec +Waiting for 0.3711 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2773 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec 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+Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.4258 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.7188 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3203 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3359 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.5312 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3203 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3242 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3711 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2734 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3984 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.4062 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.5117 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3359 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.4023 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.7148 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.6797 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.1797 sec +Waiting for 1.0469 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.4844 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 1.4492 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 1.0938 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.6953 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.5664 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3789 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.3984 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3203 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3984 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3320 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.3398 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2656 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.4727 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3164 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.1992 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3398 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.4258 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3320 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.4375 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3633 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.4961 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3086 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.6484 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.5547 sec + Finishing minim_jlee - signal 0 from master + End of minim, proc 3 time 220.972656250000 +CG processor 3 is finishing work. + Total wall clock time 224.539062500000 sec diff --git a/examples/unres/CSA/GAB/CSA/global/restrained/1l2y_csa.out_GB004 b/examples/unres/CSA/GAB/CSA/global/restrained/1l2y_csa.out_GB004 new file mode 100644 index 0000000..f8cbef4 --- /dev/null +++ b/examples/unres/CSA/GAB/CSA/global/restrained/1l2y_csa.out_GB004 @@ -0,0 +1,1778 @@ +******************************************************************************** +United-residue force field calculation - parallel job. +******************************************************************************** + MPI: node= 4 iseed= -15298714 + ran_num 0.368763100744515 +RMSDBC = 3.0 +RMSDBC1 = 0.5 +RMSDBC1MAX = 1.5 +DRMS = 0.1 +RMSDBCM = 3.0 +Time limit (min): 960.0 + RESCALE_MODE 0 +Library routine used to diagonalize matrices. + +******************************************************************************** + Options in energy minimization: +******************************************************************************** +MaxMin: 3000 MaxFun: 1000MinMin: 3000 MinFun: 3000 TolF: 1.00000E-02 RTolF: 1.00000E-04 + NCONF_IN 0 + +Energy-term weights (unscaled): + +WSCC= 1.352790 (SC-SC) +WSCP= 1.593040 (SC-p) +WELEC= 0.715340 (p-p electr) +WVDWPP= 0.113710 (p-p VDW) +WBOND= 1.000000 (stretching) +WANG= 1.138730 (bending) +WSCLOC= 0.162580 (SC local) +WTOR= 1.985990 (torsional) +WTORD= 1.570690 (double torsional) +WSTRAIN= 1.000000 (SS bridges & dist. cnstr.) +WEL_LOC= 0.160360 (multi-body 3-rd order) +WCORR4= 0.428870 (multi-body 4th order) +WCORR5= 0.000000 (multi-body 5th order) +WCORR6= 0.000000 (multi-body 6th order) +WSCCOR= 0.000000 (back-scloc correlation) +WTURN3= 1.687220 (turns, 3rd order) +WTURN4= 0.662300 (turns, 4th order) +WTURN6= 0.000000 (turns, 6th order) +WDFA_D= 0.000000 (DFA, distance) +WDFA_T= 0.000000 (DFA, torsional) +WDFA_N= 0.000000 (DFA, number of neighbor) +WDFA_B= 0.000000 (DFA, beta formation) + +Hydrogen-bonding correlation between contact pairs of peptide groups + +Scaling factor of 1,4 SC-p interactions: 0.400 +General scaling factor of SC-p interactions: 1.000 + +Energy-term weights (scaled): + +WSCC= 1.352790 (SC-SC) +WSCP= 1.593040 (SC-p) +WELEC= 0.715340 (p-p electr) +WVDWPP= 0.113710 (p-p VDW) +WBOND= 1.000000 (stretching) +WANG= 1.138730 (bending) +WSCLOC= 0.162580 (SC local) +WTOR= 1.985990 (torsional) +WTORD= 1.570690 (double torsional) +WSTRAIN= 1.000000 (SS bridges & dist. cnstr.) +WEL_LOC= 0.160360 (multi-body 3-rd order) +WCORR4= 0.428870 (multi-body 4th order) +WCORR5= 0.000000 (multi-body 5th order) +WCORR6= 0.000000 (multi-body 6th order) +WSCCOR= 0.000000 (back-scloc correlatkion) +WTURN3= 1.687220 (turns, 3rd order) +WTURN4= 0.662300 (turns, 4th order) +WTURN6= 0.000000 (turns, 6th order) +WDFA_D= 0.000000 (DFA, distance) +WDFA_T= 0.000000 (DFA, torsional) +WDFA_N= 0.000000 (DFA, number of neighbor) +WDFA_B= 0.000000 (DFA, beta formation) + Reference temperature for weights calculation: 300.000000000000 + Parameters of the SS-bond potential: + D0CM 3.78000000000000 AKCM 15.1000000000000 AKTH + 11.0000000000000 AKCT 12.0000000000000 + V1SS -1.08000000000000 V2SS 7.61000000000000 V3SS + 13.7000000000000 + EBR -5.50000000000000 + ITEL + 1 21 0 + 2 14 1 + 3 5 1 + 4 8 1 + 5 4 1 + 6 13 1 + 7 7 1 + 8 5 1 + 9 19 1 + 10 16 1 + 11 10 1 + 12 10 2 + 13 20 1 + 14 12 1 + 15 12 1 + 16 10 1 + 17 18 2 + 18 20 2 + 19 20 2 + 20 20 1 + 21 12 0 + ns= 0 iss: + There are 22 constraints on phi angles. + 1 0.000 180.000 + 2 0.000 180.000 + 3 0.000 180.000 + 4 0.000 180.000 + 5 0.000 180.000 + 6 0.000 180.000 + 7 45.000 5.000 + 8 45.000 5.000 + 9 45.000 5.000 + 10 45.000 5.000 + 11 45.000 5.000 + 12 45.000 5.000 + 13 0.000 180.000 + 14 0.000 180.000 + 15 0.000 180.000 + 16 0.000 180.000 + 17 0.000 180.000 + 18 0.000 180.000 + 19 0.000 180.000 + 20 0.000 180.000 + 21 0.000 180.000 + 22 0.000 180.000 + FTORS 0.000000000000000E+000 + NZ_START= 2 NZ_END= 21 + IZ_SC= 0 + +Geometry of the virtual chain. + Res d Theta Gamma Dsc Alpha Beta +D 1 0.000 0.000 0.000 0.000 0.000 0.000 +ASN 2 3.800 0.000 0.000 1.684 0.000 0.000 +LEU 3 3.800 0.000 0.000 1.939 0.000 0.000 +TYR 4 3.800 0.000 0.000 2.484 0.000 0.000 +ILE 5 3.800 0.000 0.000 1.776 0.000 0.000 +GLN 6 3.800 0.000 0.000 2.240 0.000 0.000 +TRP 7 3.800 0.000 0.000 2.605 0.000 0.000 +LEU 8 3.800 0.000 0.000 1.939 0.000 0.000 +LYS 9 3.800 0.000 0.000 2.541 0.000 0.000 +ASP 10 3.800 0.000 0.000 1.709 0.000 0.000 +GLY 11 3.800 0.000 0.000 0.000 0.000 0.000 +GLY 12 3.800 0.000 0.000 0.000 0.000 0.000 +PRO 13 3.800 0.000 0.000 1.345 0.000 0.000 +SER 14 3.800 0.000 0.000 1.150 0.000 0.000 +SER 15 3.800 0.000 0.000 1.150 0.000 0.000 +GLY 16 3.800 0.000 0.000 0.000 0.000 0.000 +ARG 17 3.800 0.000 0.000 3.020 0.000 0.000 +PRO 18 3.800 0.000 0.000 1.345 0.000 0.000 +PRO 19 3.800 0.000 0.000 1.345 0.000 0.000 +PRO 20 3.800 0.000 0.000 1.345 0.000 0.000 +SER 21 3.800 0.000 0.000 1.150 0.000 0.000 +D 22 3.800 0.000 0.000 0.000 0.000 0.000 + + +******************************************************************************** + Processor 4: end reading molecular data. +******************************************************************************** + + +CSA calculations calculation. + +Conformations will be energy-minimized. +******************************************************************************** + +Waiting for 0.1406 sec +Waiting for 0.0742 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec + Finishing minim_jlee - signal 0 from master +Waiting for 0.6055 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0156 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.4531 sec +Waiting for 0.0000 sec +Waiting for 0.0234 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0352 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0508 sec +Waiting for 0.0000 sec +Waiting for 0.5039 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2891 sec +Waiting for 0.0000 sec +Waiting for 0.0195 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0117 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.4766 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3359 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0273 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3906 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3047 sec +Waiting for 0.0352 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0117 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0078 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2891 sec +Waiting for 0.0000 sec +Waiting for 0.0469 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.4883 sec +Waiting for 0.0234 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3203 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0078 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0234 sec +Waiting for 0.4492 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3086 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0352 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.4102 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3789 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3281 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3203 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.4258 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3008 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0078 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3711 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.4492 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.5664 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0547 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3555 sec +Waiting for 0.0000 sec +Waiting for 0.0234 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.6406 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0547 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.5430 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.6133 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 2.5781 sec +Waiting for 0.3125 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3398 sec +Waiting for 2.0352 sec +Waiting for 0.0000 sec +Waiting for 0.2773 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3320 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 1.1719 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.3477 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 1.1953 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.7031 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.5391 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 1.3047 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3398 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3789 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0195 sec +Waiting for 0.2930 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 1.1602 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2578 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3047 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3359 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3594 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2461 sec +Waiting for 0.0312 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3633 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.4258 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.6484 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0312 sec +Waiting for 0.0117 sec +Waiting for 1.2539 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.1797 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.5391 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3438 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.5547 sec +Waiting for 0.0078 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 1.1016 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2852 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3242 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.3867 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.4062 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3711 sec +Waiting for 0.0078 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.4141 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0078 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3281 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3438 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3125 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2305 sec +Waiting for 0.7344 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.4492 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.3398 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3203 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.5625 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.4219 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.7227 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3203 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3281 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.5156 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3398 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3516 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2773 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3359 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3047 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3906 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.4492 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.4062 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.4805 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.6758 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.6445 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 1.2305 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.4609 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 1.4414 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 1.0742 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.6914 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.5703 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.4531 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3750 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.3477 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3359 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3477 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0195 sec +Waiting for 0.3555 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3008 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.4922 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3281 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3516 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2812 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.4062 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2930 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.4570 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2227 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.5781 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2539 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.5781 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.6133 sec + Finishing minim_jlee - signal 0 from master + End of minim, proc 4 time 220.972656250000 +CG processor 4 is finishing work. + Total wall clock time 224.535156250000 sec diff --git a/examples/unres/CSA/GAB/CSA/global/restrained/1l2y_csa.out_GB005 b/examples/unres/CSA/GAB/CSA/global/restrained/1l2y_csa.out_GB005 new file mode 100644 index 0000000..dd5e8f1 --- /dev/null +++ b/examples/unres/CSA/GAB/CSA/global/restrained/1l2y_csa.out_GB005 @@ -0,0 +1,1861 @@ +******************************************************************************** +United-residue force field calculation - parallel job. +******************************************************************************** + MPI: node= 5 iseed= -18358457 + ran_num 0.642515346597294 +RMSDBC = 3.0 +RMSDBC1 = 0.5 +RMSDBC1MAX = 1.5 +DRMS = 0.1 +RMSDBCM = 3.0 +Time limit (min): 960.0 + RESCALE_MODE 0 +Library routine used to diagonalize matrices. + +******************************************************************************** + Options in energy minimization: +******************************************************************************** +MaxMin: 3000 MaxFun: 1000MinMin: 3000 MinFun: 3000 TolF: 1.00000E-02 RTolF: 1.00000E-04 + NCONF_IN 0 + +Energy-term weights (unscaled): + +WSCC= 1.352790 (SC-SC) +WSCP= 1.593040 (SC-p) +WELEC= 0.715340 (p-p electr) +WVDWPP= 0.113710 (p-p VDW) +WBOND= 1.000000 (stretching) +WANG= 1.138730 (bending) +WSCLOC= 0.162580 (SC local) +WTOR= 1.985990 (torsional) +WTORD= 1.570690 (double torsional) +WSTRAIN= 1.000000 (SS bridges & dist. cnstr.) +WEL_LOC= 0.160360 (multi-body 3-rd order) +WCORR4= 0.428870 (multi-body 4th order) +WCORR5= 0.000000 (multi-body 5th order) +WCORR6= 0.000000 (multi-body 6th order) +WSCCOR= 0.000000 (back-scloc correlation) +WTURN3= 1.687220 (turns, 3rd order) +WTURN4= 0.662300 (turns, 4th order) +WTURN6= 0.000000 (turns, 6th order) +WDFA_D= 0.000000 (DFA, distance) +WDFA_T= 0.000000 (DFA, torsional) +WDFA_N= 0.000000 (DFA, number of neighbor) +WDFA_B= 0.000000 (DFA, beta formation) + +Hydrogen-bonding correlation between contact pairs of peptide groups + +Scaling factor of 1,4 SC-p interactions: 0.400 +General scaling factor of SC-p interactions: 1.000 + +Energy-term weights (scaled): + +WSCC= 1.352790 (SC-SC) +WSCP= 1.593040 (SC-p) +WELEC= 0.715340 (p-p electr) +WVDWPP= 0.113710 (p-p VDW) +WBOND= 1.000000 (stretching) +WANG= 1.138730 (bending) +WSCLOC= 0.162580 (SC local) +WTOR= 1.985990 (torsional) +WTORD= 1.570690 (double torsional) +WSTRAIN= 1.000000 (SS bridges & dist. cnstr.) +WEL_LOC= 0.160360 (multi-body 3-rd order) +WCORR4= 0.428870 (multi-body 4th order) +WCORR5= 0.000000 (multi-body 5th order) +WCORR6= 0.000000 (multi-body 6th order) +WSCCOR= 0.000000 (back-scloc correlatkion) +WTURN3= 1.687220 (turns, 3rd order) +WTURN4= 0.662300 (turns, 4th order) +WTURN6= 0.000000 (turns, 6th order) +WDFA_D= 0.000000 (DFA, distance) +WDFA_T= 0.000000 (DFA, torsional) +WDFA_N= 0.000000 (DFA, number of neighbor) +WDFA_B= 0.000000 (DFA, beta formation) + Reference temperature for weights calculation: 300.000000000000 + Parameters of the SS-bond potential: + D0CM 3.78000000000000 AKCM 15.1000000000000 AKTH + 11.0000000000000 AKCT 12.0000000000000 + V1SS -1.08000000000000 V2SS 7.61000000000000 V3SS + 13.7000000000000 + EBR -5.50000000000000 + ITEL + 1 21 0 + 2 14 1 + 3 5 1 + 4 8 1 + 5 4 1 + 6 13 1 + 7 7 1 + 8 5 1 + 9 19 1 + 10 16 1 + 11 10 1 + 12 10 2 + 13 20 1 + 14 12 1 + 15 12 1 + 16 10 1 + 17 18 2 + 18 20 2 + 19 20 2 + 20 20 1 + 21 12 0 + ns= 0 iss: + There are 22 constraints on phi angles. + 1 0.000 180.000 + 2 0.000 180.000 + 3 0.000 180.000 + 4 0.000 180.000 + 5 0.000 180.000 + 6 0.000 180.000 + 7 45.000 5.000 + 8 45.000 5.000 + 9 45.000 5.000 + 10 45.000 5.000 + 11 45.000 5.000 + 12 45.000 5.000 + 13 0.000 180.000 + 14 0.000 180.000 + 15 0.000 180.000 + 16 0.000 180.000 + 17 0.000 180.000 + 18 0.000 180.000 + 19 0.000 180.000 + 20 0.000 180.000 + 21 0.000 180.000 + 22 0.000 180.000 + FTORS 0.000000000000000E+000 + NZ_START= 2 NZ_END= 21 + IZ_SC= 0 + +Geometry of the virtual chain. + Res d Theta Gamma Dsc Alpha Beta +D 1 0.000 0.000 0.000 0.000 0.000 0.000 +ASN 2 3.800 0.000 0.000 1.684 0.000 0.000 +LEU 3 3.800 0.000 0.000 1.939 0.000 0.000 +TYR 4 3.800 0.000 0.000 2.484 0.000 0.000 +ILE 5 3.800 0.000 0.000 1.776 0.000 0.000 +GLN 6 3.800 0.000 0.000 2.240 0.000 0.000 +TRP 7 3.800 0.000 0.000 2.605 0.000 0.000 +LEU 8 3.800 0.000 0.000 1.939 0.000 0.000 +LYS 9 3.800 0.000 0.000 2.541 0.000 0.000 +ASP 10 3.800 0.000 0.000 1.709 0.000 0.000 +GLY 11 3.800 0.000 0.000 0.000 0.000 0.000 +GLY 12 3.800 0.000 0.000 0.000 0.000 0.000 +PRO 13 3.800 0.000 0.000 1.345 0.000 0.000 +SER 14 3.800 0.000 0.000 1.150 0.000 0.000 +SER 15 3.800 0.000 0.000 1.150 0.000 0.000 +GLY 16 3.800 0.000 0.000 0.000 0.000 0.000 +ARG 17 3.800 0.000 0.000 3.020 0.000 0.000 +PRO 18 3.800 0.000 0.000 1.345 0.000 0.000 +PRO 19 3.800 0.000 0.000 1.345 0.000 0.000 +PRO 20 3.800 0.000 0.000 1.345 0.000 0.000 +SER 21 3.800 0.000 0.000 1.150 0.000 0.000 +D 22 3.800 0.000 0.000 0.000 0.000 0.000 + + +******************************************************************************** + Processor 5: end reading molecular data. +******************************************************************************** + + +CSA calculations calculation. + +Conformations will be energy-minimized. +******************************************************************************** + +Waiting for 0.1406 sec +Waiting for 0.0703 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0352 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec + Finishing minim_jlee - signal 0 from master +Waiting for 0.6055 sec +Waiting for 0.0000 sec +Waiting for 0.0234 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.4609 sec +Waiting for 0.0000 sec +Waiting for 0.0586 sec +Waiting for 0.0312 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.5000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2852 sec +Waiting for 0.0000 sec +Waiting for 0.0273 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.4805 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3477 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.5039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3008 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3203 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0117 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.4961 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2891 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0039 sec +Waiting for 0.4375 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3086 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0352 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.4961 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3828 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3281 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3438 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.4414 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2891 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3477 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.4727 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0312 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.5938 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3398 sec +Waiting for 0.0938 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.6719 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0234 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.5000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.6328 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 2.5820 sec +Waiting for 0.2773 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3594 sec +Waiting for 2.0234 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3672 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2969 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 1.0938 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3594 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 1.1797 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.7773 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.5312 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 1.2656 sec +Waiting for 0.0078 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2734 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3320 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0234 sec +Waiting for 0.3281 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 1.1367 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3008 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2422 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3516 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3555 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec 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0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.6406 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0898 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 1.2617 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec 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0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.5820 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2891 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.6133 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.6445 sec + Finishing minim_jlee - signal 0 from master + End of minim, proc 5 time 220.972656250000 +CG processor 5 is finishing work. + Total wall clock time 224.535156250000 sec diff --git a/examples/unres/CSA/GAB/CSA/global/restrained/1l2y_csa.out_GB006 b/examples/unres/CSA/GAB/CSA/global/restrained/1l2y_csa.out_GB006 new file mode 100644 index 0000000..fcf496c --- /dev/null +++ b/examples/unres/CSA/GAB/CSA/global/restrained/1l2y_csa.out_GB006 @@ -0,0 +1,1756 @@ +******************************************************************************** +United-residue force field calculation - parallel job. +******************************************************************************** + MPI: node= 6 iseed= -21418200 + ran_num 0.916267592450074 +RMSDBC = 3.0 +RMSDBC1 = 0.5 +RMSDBC1MAX = 1.5 +DRMS = 0.1 +RMSDBCM = 3.0 +Time limit (min): 960.0 + RESCALE_MODE 0 +Library routine used to diagonalize matrices. + +******************************************************************************** + Options in energy minimization: +******************************************************************************** +MaxMin: 3000 MaxFun: 1000MinMin: 3000 MinFun: 3000 TolF: 1.00000E-02 RTolF: 1.00000E-04 + NCONF_IN 0 + +Energy-term weights (unscaled): + +WSCC= 1.352790 (SC-SC) +WSCP= 1.593040 (SC-p) +WELEC= 0.715340 (p-p electr) +WVDWPP= 0.113710 (p-p VDW) +WBOND= 1.000000 (stretching) +WANG= 1.138730 (bending) +WSCLOC= 0.162580 (SC local) +WTOR= 1.985990 (torsional) +WTORD= 1.570690 (double torsional) +WSTRAIN= 1.000000 (SS bridges & dist. cnstr.) +WEL_LOC= 0.160360 (multi-body 3-rd order) +WCORR4= 0.428870 (multi-body 4th order) +WCORR5= 0.000000 (multi-body 5th order) +WCORR6= 0.000000 (multi-body 6th order) +WSCCOR= 0.000000 (back-scloc correlation) +WTURN3= 1.687220 (turns, 3rd order) +WTURN4= 0.662300 (turns, 4th order) +WTURN6= 0.000000 (turns, 6th order) +WDFA_D= 0.000000 (DFA, distance) +WDFA_T= 0.000000 (DFA, torsional) +WDFA_N= 0.000000 (DFA, number of neighbor) +WDFA_B= 0.000000 (DFA, beta formation) + +Hydrogen-bonding correlation between contact pairs of peptide groups + +Scaling factor of 1,4 SC-p interactions: 0.400 +General scaling factor of SC-p interactions: 1.000 + +Energy-term weights (scaled): + +WSCC= 1.352790 (SC-SC) +WSCP= 1.593040 (SC-p) +WELEC= 0.715340 (p-p electr) +WVDWPP= 0.113710 (p-p VDW) +WBOND= 1.000000 (stretching) +WANG= 1.138730 (bending) +WSCLOC= 0.162580 (SC local) +WTOR= 1.985990 (torsional) +WTORD= 1.570690 (double torsional) +WSTRAIN= 1.000000 (SS bridges & dist. cnstr.) +WEL_LOC= 0.160360 (multi-body 3-rd order) +WCORR4= 0.428870 (multi-body 4th order) +WCORR5= 0.000000 (multi-body 5th order) +WCORR6= 0.000000 (multi-body 6th order) +WSCCOR= 0.000000 (back-scloc correlatkion) +WTURN3= 1.687220 (turns, 3rd order) +WTURN4= 0.662300 (turns, 4th order) +WTURN6= 0.000000 (turns, 6th order) +WDFA_D= 0.000000 (DFA, distance) +WDFA_T= 0.000000 (DFA, torsional) +WDFA_N= 0.000000 (DFA, number of neighbor) +WDFA_B= 0.000000 (DFA, beta formation) + Reference temperature for weights calculation: 300.000000000000 + Parameters of the SS-bond potential: + D0CM 3.78000000000000 AKCM 15.1000000000000 AKTH + 11.0000000000000 AKCT 12.0000000000000 + V1SS -1.08000000000000 V2SS 7.61000000000000 V3SS + 13.7000000000000 + EBR -5.50000000000000 + ITEL + 1 21 0 + 2 14 1 + 3 5 1 + 4 8 1 + 5 4 1 + 6 13 1 + 7 7 1 + 8 5 1 + 9 19 1 + 10 16 1 + 11 10 1 + 12 10 2 + 13 20 1 + 14 12 1 + 15 12 1 + 16 10 1 + 17 18 2 + 18 20 2 + 19 20 2 + 20 20 1 + 21 12 0 + ns= 0 iss: + There are 22 constraints on phi angles. + 1 0.000 180.000 + 2 0.000 180.000 + 3 0.000 180.000 + 4 0.000 180.000 + 5 0.000 180.000 + 6 0.000 180.000 + 7 45.000 5.000 + 8 45.000 5.000 + 9 45.000 5.000 + 10 45.000 5.000 + 11 45.000 5.000 + 12 45.000 5.000 + 13 0.000 180.000 + 14 0.000 180.000 + 15 0.000 180.000 + 16 0.000 180.000 + 17 0.000 180.000 + 18 0.000 180.000 + 19 0.000 180.000 + 20 0.000 180.000 + 21 0.000 180.000 + 22 0.000 180.000 + FTORS 0.000000000000000E+000 + NZ_START= 2 NZ_END= 21 + IZ_SC= 0 + +Geometry of the virtual chain. + Res d Theta Gamma Dsc Alpha Beta +D 1 0.000 0.000 0.000 0.000 0.000 0.000 +ASN 2 3.800 0.000 0.000 1.684 0.000 0.000 +LEU 3 3.800 0.000 0.000 1.939 0.000 0.000 +TYR 4 3.800 0.000 0.000 2.484 0.000 0.000 +ILE 5 3.800 0.000 0.000 1.776 0.000 0.000 +GLN 6 3.800 0.000 0.000 2.240 0.000 0.000 +TRP 7 3.800 0.000 0.000 2.605 0.000 0.000 +LEU 8 3.800 0.000 0.000 1.939 0.000 0.000 +LYS 9 3.800 0.000 0.000 2.541 0.000 0.000 +ASP 10 3.800 0.000 0.000 1.709 0.000 0.000 +GLY 11 3.800 0.000 0.000 0.000 0.000 0.000 +GLY 12 3.800 0.000 0.000 0.000 0.000 0.000 +PRO 13 3.800 0.000 0.000 1.345 0.000 0.000 +SER 14 3.800 0.000 0.000 1.150 0.000 0.000 +SER 15 3.800 0.000 0.000 1.150 0.000 0.000 +GLY 16 3.800 0.000 0.000 0.000 0.000 0.000 +ARG 17 3.800 0.000 0.000 3.020 0.000 0.000 +PRO 18 3.800 0.000 0.000 1.345 0.000 0.000 +PRO 19 3.800 0.000 0.000 1.345 0.000 0.000 +PRO 20 3.800 0.000 0.000 1.345 0.000 0.000 +SER 21 3.800 0.000 0.000 1.150 0.000 0.000 +D 22 3.800 0.000 0.000 0.000 0.000 0.000 + + +******************************************************************************** + Processor 6: end reading molecular data. +******************************************************************************** + + +CSA calculations calculation. + +Conformations will be energy-minimized. +******************************************************************************** + +Waiting for 0.1367 sec +Waiting for 0.0859 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec + Finishing minim_jlee - signal 0 from master +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0625 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0234 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0156 sec +Waiting for 0.5234 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2969 sec +Waiting for 0.0273 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0469 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.4844 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2852 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.4766 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3281 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0078 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3086 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.5000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3086 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0156 sec +Waiting for 0.4609 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.3164 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0391 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.4805 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0117 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3789 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0312 sec +Waiting for 0.3047 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3398 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.4297 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2852 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3516 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.4727 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0273 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.5781 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0195 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3438 sec +Waiting for 0.0000 sec +Waiting for 0.1133 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.6758 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0625 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.5352 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.6055 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 2.5039 sec +Waiting for 0.2852 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3359 sec +Waiting for 2.0312 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3594 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2852 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 1.2031 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3516 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 1.1055 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.7617 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.5508 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 1.3281 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0547 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3398 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.3242 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0234 sec +Waiting for 0.2148 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 1.1602 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2852 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec 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0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3516 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.4258 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3203 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3828 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3477 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.6094 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3320 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.6055 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.6328 sec + Finishing minim_jlee - signal 0 from master + End of minim, proc 6 time 218.066406250000 +CG processor 6 is finishing work. + Total wall clock time 224.531250000000 sec diff --git a/examples/unres/CSA/GAB/CSA/global/restrained/1l2y_csa.out_GB007 b/examples/unres/CSA/GAB/CSA/global/restrained/1l2y_csa.out_GB007 new file mode 100644 index 0000000..58a55db --- /dev/null +++ b/examples/unres/CSA/GAB/CSA/global/restrained/1l2y_csa.out_GB007 @@ -0,0 +1,1802 @@ +******************************************************************************** +United-residue force field calculation - parallel job. +******************************************************************************** + MPI: node= 7 iseed= -24477943 + ran_num 0.190019838302853 +RMSDBC = 3.0 +RMSDBC1 = 0.5 +RMSDBC1MAX = 1.5 +DRMS = 0.1 +RMSDBCM = 3.0 +Time limit (min): 960.0 + RESCALE_MODE 0 +Library routine used to diagonalize matrices. + +******************************************************************************** + Options in energy minimization: +******************************************************************************** +MaxMin: 3000 MaxFun: 1000MinMin: 3000 MinFun: 3000 TolF: 1.00000E-02 RTolF: 1.00000E-04 + NCONF_IN 0 + +Energy-term weights (unscaled): + +WSCC= 1.352790 (SC-SC) +WSCP= 1.593040 (SC-p) +WELEC= 0.715340 (p-p electr) +WVDWPP= 0.113710 (p-p VDW) +WBOND= 1.000000 (stretching) +WANG= 1.138730 (bending) +WSCLOC= 0.162580 (SC local) +WTOR= 1.985990 (torsional) +WTORD= 1.570690 (double torsional) +WSTRAIN= 1.000000 (SS bridges & dist. cnstr.) +WEL_LOC= 0.160360 (multi-body 3-rd order) +WCORR4= 0.428870 (multi-body 4th order) +WCORR5= 0.000000 (multi-body 5th order) +WCORR6= 0.000000 (multi-body 6th order) +WSCCOR= 0.000000 (back-scloc correlation) +WTURN3= 1.687220 (turns, 3rd order) +WTURN4= 0.662300 (turns, 4th order) +WTURN6= 0.000000 (turns, 6th order) +WDFA_D= 0.000000 (DFA, distance) +WDFA_T= 0.000000 (DFA, torsional) +WDFA_N= 0.000000 (DFA, number of neighbor) +WDFA_B= 0.000000 (DFA, beta formation) + +Hydrogen-bonding correlation between contact pairs of peptide groups + +Scaling factor of 1,4 SC-p interactions: 0.400 +General scaling factor of SC-p interactions: 1.000 + +Energy-term weights (scaled): + +WSCC= 1.352790 (SC-SC) +WSCP= 1.593040 (SC-p) +WELEC= 0.715340 (p-p electr) +WVDWPP= 0.113710 (p-p VDW) +WBOND= 1.000000 (stretching) +WANG= 1.138730 (bending) +WSCLOC= 0.162580 (SC local) +WTOR= 1.985990 (torsional) +WTORD= 1.570690 (double torsional) +WSTRAIN= 1.000000 (SS bridges & dist. cnstr.) +WEL_LOC= 0.160360 (multi-body 3-rd order) +WCORR4= 0.428870 (multi-body 4th order) +WCORR5= 0.000000 (multi-body 5th order) +WCORR6= 0.000000 (multi-body 6th order) +WSCCOR= 0.000000 (back-scloc correlatkion) +WTURN3= 1.687220 (turns, 3rd order) +WTURN4= 0.662300 (turns, 4th order) +WTURN6= 0.000000 (turns, 6th order) +WDFA_D= 0.000000 (DFA, distance) +WDFA_T= 0.000000 (DFA, torsional) +WDFA_N= 0.000000 (DFA, number of neighbor) +WDFA_B= 0.000000 (DFA, beta formation) + Reference temperature for weights calculation: 300.000000000000 + Parameters of the SS-bond potential: + D0CM 3.78000000000000 AKCM 15.1000000000000 AKTH + 11.0000000000000 AKCT 12.0000000000000 + V1SS -1.08000000000000 V2SS 7.61000000000000 V3SS + 13.7000000000000 + EBR -5.50000000000000 + ITEL + 1 21 0 + 2 14 1 + 3 5 1 + 4 8 1 + 5 4 1 + 6 13 1 + 7 7 1 + 8 5 1 + 9 19 1 + 10 16 1 + 11 10 1 + 12 10 2 + 13 20 1 + 14 12 1 + 15 12 1 + 16 10 1 + 17 18 2 + 18 20 2 + 19 20 2 + 20 20 1 + 21 12 0 + ns= 0 iss: + There are 22 constraints on phi angles. + 1 0.000 180.000 + 2 0.000 180.000 + 3 0.000 180.000 + 4 0.000 180.000 + 5 0.000 180.000 + 6 0.000 180.000 + 7 45.000 5.000 + 8 45.000 5.000 + 9 45.000 5.000 + 10 45.000 5.000 + 11 45.000 5.000 + 12 45.000 5.000 + 13 0.000 180.000 + 14 0.000 180.000 + 15 0.000 180.000 + 16 0.000 180.000 + 17 0.000 180.000 + 18 0.000 180.000 + 19 0.000 180.000 + 20 0.000 180.000 + 21 0.000 180.000 + 22 0.000 180.000 + FTORS 0.000000000000000E+000 + NZ_START= 2 NZ_END= 21 + IZ_SC= 0 + +Geometry of the virtual chain. + Res d Theta Gamma Dsc Alpha Beta +D 1 0.000 0.000 0.000 0.000 0.000 0.000 +ASN 2 3.800 0.000 0.000 1.684 0.000 0.000 +LEU 3 3.800 0.000 0.000 1.939 0.000 0.000 +TYR 4 3.800 0.000 0.000 2.484 0.000 0.000 +ILE 5 3.800 0.000 0.000 1.776 0.000 0.000 +GLN 6 3.800 0.000 0.000 2.240 0.000 0.000 +TRP 7 3.800 0.000 0.000 2.605 0.000 0.000 +LEU 8 3.800 0.000 0.000 1.939 0.000 0.000 +LYS 9 3.800 0.000 0.000 2.541 0.000 0.000 +ASP 10 3.800 0.000 0.000 1.709 0.000 0.000 +GLY 11 3.800 0.000 0.000 0.000 0.000 0.000 +GLY 12 3.800 0.000 0.000 0.000 0.000 0.000 +PRO 13 3.800 0.000 0.000 1.345 0.000 0.000 +SER 14 3.800 0.000 0.000 1.150 0.000 0.000 +SER 15 3.800 0.000 0.000 1.150 0.000 0.000 +GLY 16 3.800 0.000 0.000 0.000 0.000 0.000 +ARG 17 3.800 0.000 0.000 3.020 0.000 0.000 +PRO 18 3.800 0.000 0.000 1.345 0.000 0.000 +PRO 19 3.800 0.000 0.000 1.345 0.000 0.000 +PRO 20 3.800 0.000 0.000 1.345 0.000 0.000 +SER 21 3.800 0.000 0.000 1.150 0.000 0.000 +D 22 3.800 0.000 0.000 0.000 0.000 0.000 + + +******************************************************************************** + Processor 7: end reading molecular data. +******************************************************************************** + + +CSA calculations calculation. + +Conformations will be energy-minimized. +******************************************************************************** + +Waiting for 0.1406 sec +Waiting for 0.0430 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0078 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec + Finishing minim_jlee - signal 0 from master +Waiting for 0.6016 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0508 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.4102 sec +Waiting for 0.0234 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.4805 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3047 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0117 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.4883 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3438 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.4805 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2734 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0195 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0352 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3359 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.5391 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2891 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0664 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0234 sec +Waiting for 0.4258 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3281 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0312 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.4531 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3828 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0469 sec +Waiting for 0.3164 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2891 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.4336 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2734 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3086 sec +Waiting for 0.0039 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.4648 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.5859 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3672 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.6758 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0078 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.5664 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.6172 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 2.5820 sec +Waiting for 0.3008 sec +Waiting for 0.0078 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3359 sec +Waiting for 2.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3359 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3594 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 1.1680 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3477 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 1.1914 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.7852 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.5117 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 1.3359 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2930 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3750 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec 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0.3125 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.4297 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3242 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec 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0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3047 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.4688 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3594 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.5781 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3086 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.6172 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.6445 sec + Finishing minim_jlee - signal 0 from master + End of minim, proc 7 time 220.968750000000 +CG processor 7 is finishing work. + Total wall clock time 224.535156250000 sec diff --git a/examples/unres/CSA/GAB/CSA/global/restrained/1l2y_csa.out_GB008 b/examples/unres/CSA/GAB/CSA/global/restrained/1l2y_csa.out_GB008 new file mode 100644 index 0000000..ef7af03 --- /dev/null +++ b/examples/unres/CSA/GAB/CSA/global/restrained/1l2y_csa.out_GB008 @@ -0,0 +1,1795 @@ +******************************************************************************** +United-residue force field calculation - parallel job. +******************************************************************************** + MPI: node= 8 iseed= -27537686 + ran_num 0.463772084155633 +RMSDBC = 3.0 +RMSDBC1 = 0.5 +RMSDBC1MAX = 1.5 +DRMS = 0.1 +RMSDBCM = 3.0 +Time limit (min): 960.0 + RESCALE_MODE 0 +Library routine used to diagonalize matrices. + +******************************************************************************** + Options in energy minimization: +******************************************************************************** +MaxMin: 3000 MaxFun: 1000MinMin: 3000 MinFun: 3000 TolF: 1.00000E-02 RTolF: 1.00000E-04 + NCONF_IN 0 + +Energy-term weights (unscaled): + +WSCC= 1.352790 (SC-SC) +WSCP= 1.593040 (SC-p) +WELEC= 0.715340 (p-p electr) +WVDWPP= 0.113710 (p-p VDW) +WBOND= 1.000000 (stretching) +WANG= 1.138730 (bending) +WSCLOC= 0.162580 (SC local) +WTOR= 1.985990 (torsional) +WTORD= 1.570690 (double torsional) +WSTRAIN= 1.000000 (SS bridges & dist. cnstr.) +WEL_LOC= 0.160360 (multi-body 3-rd order) +WCORR4= 0.428870 (multi-body 4th order) +WCORR5= 0.000000 (multi-body 5th order) +WCORR6= 0.000000 (multi-body 6th order) +WSCCOR= 0.000000 (back-scloc correlation) +WTURN3= 1.687220 (turns, 3rd order) +WTURN4= 0.662300 (turns, 4th order) +WTURN6= 0.000000 (turns, 6th order) +WDFA_D= 0.000000 (DFA, distance) +WDFA_T= 0.000000 (DFA, torsional) +WDFA_N= 0.000000 (DFA, number of neighbor) +WDFA_B= 0.000000 (DFA, beta formation) + +Hydrogen-bonding correlation between contact pairs of peptide groups + +Scaling factor of 1,4 SC-p interactions: 0.400 +General scaling factor of SC-p interactions: 1.000 + +Energy-term weights (scaled): + +WSCC= 1.352790 (SC-SC) +WSCP= 1.593040 (SC-p) +WELEC= 0.715340 (p-p electr) +WVDWPP= 0.113710 (p-p VDW) +WBOND= 1.000000 (stretching) +WANG= 1.138730 (bending) +WSCLOC= 0.162580 (SC local) +WTOR= 1.985990 (torsional) +WTORD= 1.570690 (double torsional) +WSTRAIN= 1.000000 (SS bridges & dist. cnstr.) +WEL_LOC= 0.160360 (multi-body 3-rd order) +WCORR4= 0.428870 (multi-body 4th order) +WCORR5= 0.000000 (multi-body 5th order) +WCORR6= 0.000000 (multi-body 6th order) +WSCCOR= 0.000000 (back-scloc correlatkion) +WTURN3= 1.687220 (turns, 3rd order) +WTURN4= 0.662300 (turns, 4th order) +WTURN6= 0.000000 (turns, 6th order) +WDFA_D= 0.000000 (DFA, distance) +WDFA_T= 0.000000 (DFA, torsional) +WDFA_N= 0.000000 (DFA, number of neighbor) +WDFA_B= 0.000000 (DFA, beta formation) + Reference temperature for weights calculation: 300.000000000000 + Parameters of the SS-bond potential: + D0CM 3.78000000000000 AKCM 15.1000000000000 AKTH + 11.0000000000000 AKCT 12.0000000000000 + V1SS -1.08000000000000 V2SS 7.61000000000000 V3SS + 13.7000000000000 + EBR -5.50000000000000 + ITEL + 1 21 0 + 2 14 1 + 3 5 1 + 4 8 1 + 5 4 1 + 6 13 1 + 7 7 1 + 8 5 1 + 9 19 1 + 10 16 1 + 11 10 1 + 12 10 2 + 13 20 1 + 14 12 1 + 15 12 1 + 16 10 1 + 17 18 2 + 18 20 2 + 19 20 2 + 20 20 1 + 21 12 0 + ns= 0 iss: + There are 22 constraints on phi angles. + 1 0.000 180.000 + 2 0.000 180.000 + 3 0.000 180.000 + 4 0.000 180.000 + 5 0.000 180.000 + 6 0.000 180.000 + 7 45.000 5.000 + 8 45.000 5.000 + 9 45.000 5.000 + 10 45.000 5.000 + 11 45.000 5.000 + 12 45.000 5.000 + 13 0.000 180.000 + 14 0.000 180.000 + 15 0.000 180.000 + 16 0.000 180.000 + 17 0.000 180.000 + 18 0.000 180.000 + 19 0.000 180.000 + 20 0.000 180.000 + 21 0.000 180.000 + 22 0.000 180.000 + FTORS 0.000000000000000E+000 + NZ_START= 2 NZ_END= 21 + IZ_SC= 0 + +Geometry of the virtual chain. + Res d Theta Gamma Dsc Alpha Beta +D 1 0.000 0.000 0.000 0.000 0.000 0.000 +ASN 2 3.800 0.000 0.000 1.684 0.000 0.000 +LEU 3 3.800 0.000 0.000 1.939 0.000 0.000 +TYR 4 3.800 0.000 0.000 2.484 0.000 0.000 +ILE 5 3.800 0.000 0.000 1.776 0.000 0.000 +GLN 6 3.800 0.000 0.000 2.240 0.000 0.000 +TRP 7 3.800 0.000 0.000 2.605 0.000 0.000 +LEU 8 3.800 0.000 0.000 1.939 0.000 0.000 +LYS 9 3.800 0.000 0.000 2.541 0.000 0.000 +ASP 10 3.800 0.000 0.000 1.709 0.000 0.000 +GLY 11 3.800 0.000 0.000 0.000 0.000 0.000 +GLY 12 3.800 0.000 0.000 0.000 0.000 0.000 +PRO 13 3.800 0.000 0.000 1.345 0.000 0.000 +SER 14 3.800 0.000 0.000 1.150 0.000 0.000 +SER 15 3.800 0.000 0.000 1.150 0.000 0.000 +GLY 16 3.800 0.000 0.000 0.000 0.000 0.000 +ARG 17 3.800 0.000 0.000 3.020 0.000 0.000 +PRO 18 3.800 0.000 0.000 1.345 0.000 0.000 +PRO 19 3.800 0.000 0.000 1.345 0.000 0.000 +PRO 20 3.800 0.000 0.000 1.345 0.000 0.000 +SER 21 3.800 0.000 0.000 1.150 0.000 0.000 +D 22 3.800 0.000 0.000 0.000 0.000 0.000 + + +******************************************************************************** + Processor 8: end reading molecular data. +******************************************************************************** + + +CSA calculations calculation. + +Conformations will be energy-minimized. +******************************************************************************** + +Waiting for 0.1367 sec +Waiting for 0.1992 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0195 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec + Finishing minim_jlee - signal 0 from master +Waiting for 0.6055 sec +Waiting for 0.0391 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0195 sec +Waiting for 0.0000 sec +Waiting for 0.0117 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.4531 sec +Waiting for 0.0391 sec +Waiting for 0.0195 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0430 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.5078 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.1875 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.4336 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3398 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.4805 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2891 sec +Waiting for 0.0000 sec +Waiting for 0.0156 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0156 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3281 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.5078 sec +Waiting for 0.0273 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2031 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0234 sec +Waiting for 0.4570 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3281 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0234 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.4766 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3906 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.3164 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3320 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.4102 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.1992 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2500 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.4570 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.5977 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3633 sec +Waiting for 0.1172 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.6641 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0430 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.5508 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.5977 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 2.5586 sec +Waiting for 0.3125 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3594 sec +Waiting for 2.0391 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3047 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3047 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 1.1797 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3555 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 1.1758 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec 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0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3438 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3633 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec 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0.0000 sec +Waiting for 0.3047 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.4648 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3047 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3594 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3320 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.4258 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2109 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.4531 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3359 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.5664 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3203 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.6367 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.5273 sec + Finishing minim_jlee - signal 0 from master + End of minim, proc 8 time 220.968750000000 +CG processor 8 is finishing work. + Total wall clock time 224.527343750000 sec diff --git a/examples/unres/CSA/GAB/CSA/global/restrained/1l2y_csa.out_GB009 b/examples/unres/CSA/GAB/CSA/global/restrained/1l2y_csa.out_GB009 new file mode 100644 index 0000000..faed064 --- /dev/null +++ b/examples/unres/CSA/GAB/CSA/global/restrained/1l2y_csa.out_GB009 @@ -0,0 +1,1822 @@ +******************************************************************************** +United-residue force field calculation - parallel job. +******************************************************************************** + MPI: node= 9 iseed= -30597429 + ran_num 0.737524330008412 +RMSDBC = 3.0 +RMSDBC1 = 0.5 +RMSDBC1MAX = 1.5 +DRMS = 0.1 +RMSDBCM = 3.0 +Time limit (min): 960.0 + RESCALE_MODE 0 +Library routine used to diagonalize matrices. + +******************************************************************************** + Options in energy minimization: +******************************************************************************** +MaxMin: 3000 MaxFun: 1000MinMin: 3000 MinFun: 3000 TolF: 1.00000E-02 RTolF: 1.00000E-04 + NCONF_IN 0 + +Energy-term weights (unscaled): + +WSCC= 1.352790 (SC-SC) +WSCP= 1.593040 (SC-p) +WELEC= 0.715340 (p-p electr) +WVDWPP= 0.113710 (p-p VDW) +WBOND= 1.000000 (stretching) +WANG= 1.138730 (bending) +WSCLOC= 0.162580 (SC local) +WTOR= 1.985990 (torsional) +WTORD= 1.570690 (double torsional) +WSTRAIN= 1.000000 (SS bridges & dist. cnstr.) +WEL_LOC= 0.160360 (multi-body 3-rd order) +WCORR4= 0.428870 (multi-body 4th order) +WCORR5= 0.000000 (multi-body 5th order) +WCORR6= 0.000000 (multi-body 6th order) +WSCCOR= 0.000000 (back-scloc correlation) +WTURN3= 1.687220 (turns, 3rd order) +WTURN4= 0.662300 (turns, 4th order) +WTURN6= 0.000000 (turns, 6th order) +WDFA_D= 0.000000 (DFA, distance) +WDFA_T= 0.000000 (DFA, torsional) +WDFA_N= 0.000000 (DFA, number of neighbor) +WDFA_B= 0.000000 (DFA, beta formation) + +Hydrogen-bonding correlation between contact pairs of peptide groups + +Scaling factor of 1,4 SC-p interactions: 0.400 +General scaling factor of SC-p interactions: 1.000 + +Energy-term weights (scaled): + +WSCC= 1.352790 (SC-SC) +WSCP= 1.593040 (SC-p) +WELEC= 0.715340 (p-p electr) +WVDWPP= 0.113710 (p-p VDW) +WBOND= 1.000000 (stretching) +WANG= 1.138730 (bending) +WSCLOC= 0.162580 (SC local) +WTOR= 1.985990 (torsional) +WTORD= 1.570690 (double torsional) +WSTRAIN= 1.000000 (SS bridges & dist. cnstr.) +WEL_LOC= 0.160360 (multi-body 3-rd order) +WCORR4= 0.428870 (multi-body 4th order) +WCORR5= 0.000000 (multi-body 5th order) +WCORR6= 0.000000 (multi-body 6th order) +WSCCOR= 0.000000 (back-scloc correlatkion) +WTURN3= 1.687220 (turns, 3rd order) +WTURN4= 0.662300 (turns, 4th order) +WTURN6= 0.000000 (turns, 6th order) +WDFA_D= 0.000000 (DFA, distance) +WDFA_T= 0.000000 (DFA, torsional) +WDFA_N= 0.000000 (DFA, number of neighbor) +WDFA_B= 0.000000 (DFA, beta formation) + Reference temperature for weights calculation: 300.000000000000 + Parameters of the SS-bond potential: + D0CM 3.78000000000000 AKCM 15.1000000000000 AKTH + 11.0000000000000 AKCT 12.0000000000000 + V1SS -1.08000000000000 V2SS 7.61000000000000 V3SS + 13.7000000000000 + EBR -5.50000000000000 + ITEL + 1 21 0 + 2 14 1 + 3 5 1 + 4 8 1 + 5 4 1 + 6 13 1 + 7 7 1 + 8 5 1 + 9 19 1 + 10 16 1 + 11 10 1 + 12 10 2 + 13 20 1 + 14 12 1 + 15 12 1 + 16 10 1 + 17 18 2 + 18 20 2 + 19 20 2 + 20 20 1 + 21 12 0 + ns= 0 iss: + There are 22 constraints on phi angles. + 1 0.000 180.000 + 2 0.000 180.000 + 3 0.000 180.000 + 4 0.000 180.000 + 5 0.000 180.000 + 6 0.000 180.000 + 7 45.000 5.000 + 8 45.000 5.000 + 9 45.000 5.000 + 10 45.000 5.000 + 11 45.000 5.000 + 12 45.000 5.000 + 13 0.000 180.000 + 14 0.000 180.000 + 15 0.000 180.000 + 16 0.000 180.000 + 17 0.000 180.000 + 18 0.000 180.000 + 19 0.000 180.000 + 20 0.000 180.000 + 21 0.000 180.000 + 22 0.000 180.000 + FTORS 0.000000000000000E+000 + NZ_START= 2 NZ_END= 21 + IZ_SC= 0 + +Geometry of the virtual chain. + Res d Theta Gamma Dsc Alpha Beta +D 1 0.000 0.000 0.000 0.000 0.000 0.000 +ASN 2 3.800 0.000 0.000 1.684 0.000 0.000 +LEU 3 3.800 0.000 0.000 1.939 0.000 0.000 +TYR 4 3.800 0.000 0.000 2.484 0.000 0.000 +ILE 5 3.800 0.000 0.000 1.776 0.000 0.000 +GLN 6 3.800 0.000 0.000 2.240 0.000 0.000 +TRP 7 3.800 0.000 0.000 2.605 0.000 0.000 +LEU 8 3.800 0.000 0.000 1.939 0.000 0.000 +LYS 9 3.800 0.000 0.000 2.541 0.000 0.000 +ASP 10 3.800 0.000 0.000 1.709 0.000 0.000 +GLY 11 3.800 0.000 0.000 0.000 0.000 0.000 +GLY 12 3.800 0.000 0.000 0.000 0.000 0.000 +PRO 13 3.800 0.000 0.000 1.345 0.000 0.000 +SER 14 3.800 0.000 0.000 1.150 0.000 0.000 +SER 15 3.800 0.000 0.000 1.150 0.000 0.000 +GLY 16 3.800 0.000 0.000 0.000 0.000 0.000 +ARG 17 3.800 0.000 0.000 3.020 0.000 0.000 +PRO 18 3.800 0.000 0.000 1.345 0.000 0.000 +PRO 19 3.800 0.000 0.000 1.345 0.000 0.000 +PRO 20 3.800 0.000 0.000 1.345 0.000 0.000 +SER 21 3.800 0.000 0.000 1.150 0.000 0.000 +D 22 3.800 0.000 0.000 0.000 0.000 0.000 + + +******************************************************************************** + Processor 9: end reading molecular data. +******************************************************************************** + + +CSA calculations calculation. + +Conformations will be energy-minimized. +******************************************************************************** + +Waiting for 0.1602 sec +Waiting for 0.0000 sec +Waiting for 0.0742 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec + Finishing minim_jlee - signal 0 from master +Waiting for 0.6055 sec +Waiting for 0.0156 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0508 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0078 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.4102 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0078 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.4062 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3164 sec +Waiting for 0.0000 sec +Waiting for 0.0391 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0117 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.4922 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2969 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.4844 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3086 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0195 sec +Waiting for 0.0078 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3320 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.5078 sec +Waiting for 0.0195 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2930 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0195 sec +Waiting for 0.4453 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3203 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.4883 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0273 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3516 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0117 sec +Waiting for 0.3203 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3320 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.4375 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3008 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3438 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3906 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.5469 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0312 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3242 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0742 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.6523 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0703 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.5703 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.5781 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 2.5898 sec +Waiting for 0.3438 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3398 sec +Waiting for 2.0039 sec 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0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3984 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2188 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0078 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3672 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3633 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3086 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3281 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.4844 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2617 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3203 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3477 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.4219 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3125 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.4531 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3516 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.5625 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3008 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.6250 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.6133 sec + Finishing minim_jlee - signal 0 from master + End of minim, proc 9 time 220.968750000000 +CG processor 9 is finishing work. + Total wall clock time 224.527343750000 sec diff --git a/examples/unres/CSA/GAB/CSA/global/restrained/1l2y_csa.out_GB010 b/examples/unres/CSA/GAB/CSA/global/restrained/1l2y_csa.out_GB010 new file mode 100644 index 0000000..eea2504 --- /dev/null +++ b/examples/unres/CSA/GAB/CSA/global/restrained/1l2y_csa.out_GB010 @@ -0,0 +1,1728 @@ +******************************************************************************** +United-residue force field calculation - parallel job. +******************************************************************************** + MPI: node= 10 iseed= -33657172 + ran_num 1.127657586119180E-002 +RMSDBC = 3.0 +RMSDBC1 = 0.5 +RMSDBC1MAX = 1.5 +DRMS = 0.1 +RMSDBCM = 3.0 +Time limit (min): 960.0 + RESCALE_MODE 0 +Library routine used to diagonalize matrices. + +******************************************************************************** + Options in energy minimization: +******************************************************************************** +MaxMin: 3000 MaxFun: 1000MinMin: 3000 MinFun: 3000 TolF: 1.00000E-02 RTolF: 1.00000E-04 + NCONF_IN 0 + +Energy-term weights (unscaled): + +WSCC= 1.352790 (SC-SC) +WSCP= 1.593040 (SC-p) +WELEC= 0.715340 (p-p electr) +WVDWPP= 0.113710 (p-p VDW) +WBOND= 1.000000 (stretching) +WANG= 1.138730 (bending) +WSCLOC= 0.162580 (SC local) +WTOR= 1.985990 (torsional) +WTORD= 1.570690 (double torsional) +WSTRAIN= 1.000000 (SS bridges & dist. cnstr.) +WEL_LOC= 0.160360 (multi-body 3-rd order) +WCORR4= 0.428870 (multi-body 4th order) +WCORR5= 0.000000 (multi-body 5th order) +WCORR6= 0.000000 (multi-body 6th order) +WSCCOR= 0.000000 (back-scloc correlation) +WTURN3= 1.687220 (turns, 3rd order) +WTURN4= 0.662300 (turns, 4th order) +WTURN6= 0.000000 (turns, 6th order) +WDFA_D= 0.000000 (DFA, distance) +WDFA_T= 0.000000 (DFA, torsional) +WDFA_N= 0.000000 (DFA, number of neighbor) +WDFA_B= 0.000000 (DFA, beta formation) + +Hydrogen-bonding correlation between contact pairs of peptide groups + +Scaling factor of 1,4 SC-p interactions: 0.400 +General scaling factor of SC-p interactions: 1.000 + +Energy-term weights (scaled): + +WSCC= 1.352790 (SC-SC) +WSCP= 1.593040 (SC-p) +WELEC= 0.715340 (p-p electr) +WVDWPP= 0.113710 (p-p VDW) +WBOND= 1.000000 (stretching) +WANG= 1.138730 (bending) +WSCLOC= 0.162580 (SC local) +WTOR= 1.985990 (torsional) +WTORD= 1.570690 (double torsional) +WSTRAIN= 1.000000 (SS bridges & dist. cnstr.) +WEL_LOC= 0.160360 (multi-body 3-rd order) +WCORR4= 0.428870 (multi-body 4th order) +WCORR5= 0.000000 (multi-body 5th order) +WCORR6= 0.000000 (multi-body 6th order) +WSCCOR= 0.000000 (back-scloc correlatkion) +WTURN3= 1.687220 (turns, 3rd order) +WTURN4= 0.662300 (turns, 4th order) +WTURN6= 0.000000 (turns, 6th order) +WDFA_D= 0.000000 (DFA, distance) +WDFA_T= 0.000000 (DFA, torsional) +WDFA_N= 0.000000 (DFA, number of neighbor) +WDFA_B= 0.000000 (DFA, beta formation) + Reference temperature for weights calculation: 300.000000000000 + Parameters of the SS-bond potential: + D0CM 3.78000000000000 AKCM 15.1000000000000 AKTH + 11.0000000000000 AKCT 12.0000000000000 + V1SS -1.08000000000000 V2SS 7.61000000000000 V3SS + 13.7000000000000 + EBR -5.50000000000000 + ITEL + 1 21 0 + 2 14 1 + 3 5 1 + 4 8 1 + 5 4 1 + 6 13 1 + 7 7 1 + 8 5 1 + 9 19 1 + 10 16 1 + 11 10 1 + 12 10 2 + 13 20 1 + 14 12 1 + 15 12 1 + 16 10 1 + 17 18 2 + 18 20 2 + 19 20 2 + 20 20 1 + 21 12 0 + ns= 0 iss: + There are 22 constraints on phi angles. + 1 0.000 180.000 + 2 0.000 180.000 + 3 0.000 180.000 + 4 0.000 180.000 + 5 0.000 180.000 + 6 0.000 180.000 + 7 45.000 5.000 + 8 45.000 5.000 + 9 45.000 5.000 + 10 45.000 5.000 + 11 45.000 5.000 + 12 45.000 5.000 + 13 0.000 180.000 + 14 0.000 180.000 + 15 0.000 180.000 + 16 0.000 180.000 + 17 0.000 180.000 + 18 0.000 180.000 + 19 0.000 180.000 + 20 0.000 180.000 + 21 0.000 180.000 + 22 0.000 180.000 + FTORS 0.000000000000000E+000 + NZ_START= 2 NZ_END= 21 + IZ_SC= 0 + +Geometry of the virtual chain. + Res d Theta Gamma Dsc Alpha Beta +D 1 0.000 0.000 0.000 0.000 0.000 0.000 +ASN 2 3.800 0.000 0.000 1.684 0.000 0.000 +LEU 3 3.800 0.000 0.000 1.939 0.000 0.000 +TYR 4 3.800 0.000 0.000 2.484 0.000 0.000 +ILE 5 3.800 0.000 0.000 1.776 0.000 0.000 +GLN 6 3.800 0.000 0.000 2.240 0.000 0.000 +TRP 7 3.800 0.000 0.000 2.605 0.000 0.000 +LEU 8 3.800 0.000 0.000 1.939 0.000 0.000 +LYS 9 3.800 0.000 0.000 2.541 0.000 0.000 +ASP 10 3.800 0.000 0.000 1.709 0.000 0.000 +GLY 11 3.800 0.000 0.000 0.000 0.000 0.000 +GLY 12 3.800 0.000 0.000 0.000 0.000 0.000 +PRO 13 3.800 0.000 0.000 1.345 0.000 0.000 +SER 14 3.800 0.000 0.000 1.150 0.000 0.000 +SER 15 3.800 0.000 0.000 1.150 0.000 0.000 +GLY 16 3.800 0.000 0.000 0.000 0.000 0.000 +ARG 17 3.800 0.000 0.000 3.020 0.000 0.000 +PRO 18 3.800 0.000 0.000 1.345 0.000 0.000 +PRO 19 3.800 0.000 0.000 1.345 0.000 0.000 +PRO 20 3.800 0.000 0.000 1.345 0.000 0.000 +SER 21 3.800 0.000 0.000 1.150 0.000 0.000 +D 22 3.800 0.000 0.000 0.000 0.000 0.000 + + +******************************************************************************** + Processor 10: end reading molecular data. +******************************************************************************** + + +CSA calculations calculation. + +Conformations will be energy-minimized. +******************************************************************************** + +Waiting for 0.1484 sec +Waiting for 0.0000 sec +Waiting for 0.1133 sec +Waiting for 0.0039 sec +Waiting for 0.0156 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec + Finishing minim_jlee - signal 0 from master +Waiting for 0.6094 sec +Waiting for 0.0234 sec +Waiting for 0.0000 sec +Waiting for 0.0352 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3867 sec +Waiting for 0.0000 sec +Waiting for 0.0078 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0391 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0312 sec +Waiting for 0.5234 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2266 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3906 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0391 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3086 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.4844 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.2852 sec +Waiting for 0.0000 sec +Waiting for 0.0352 sec +Waiting for 0.0000 sec +Waiting for 0.0117 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3203 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0430 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.5000 sec +Waiting for 0.0078 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2930 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0234 sec +Waiting for 0.4609 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2383 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0234 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.4805 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3750 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3320 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3164 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3242 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2734 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec 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0.0000 sec +Waiting for 0.2930 sec +Waiting for 0.0000 sec +Waiting for 0.0977 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.6445 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0273 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.5391 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec 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0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 1.4531 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 1.0859 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.6992 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.5898 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.5391 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3164 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3281 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3828 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3477 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0195 sec +Waiting for 0.3477 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3359 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.4844 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3203 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3672 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3711 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.4102 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3086 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.4453 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3203 sec +Waiting for 0.0117 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.5664 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3047 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.5586 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.5859 sec + Finishing minim_jlee - signal 0 from master + End of minim, proc 10 time 220.968750000000 +CG processor 10 is finishing work. + Total wall clock time 224.531250000000 sec diff --git a/examples/unres/CSA/GAB/CSA/global/restrained/1l2y_csa.out_GB011 b/examples/unres/CSA/GAB/CSA/global/restrained/1l2y_csa.out_GB011 new file mode 100644 index 0000000..a7e0cfd --- /dev/null +++ b/examples/unres/CSA/GAB/CSA/global/restrained/1l2y_csa.out_GB011 @@ -0,0 +1,1809 @@ +******************************************************************************** +United-residue force field calculation - parallel job. +******************************************************************************** + MPI: node= 11 iseed= -36716915 + ran_num 0.285028821713971 +RMSDBC = 3.0 +RMSDBC1 = 0.5 +RMSDBC1MAX = 1.5 +DRMS = 0.1 +RMSDBCM = 3.0 +Time limit (min): 960.0 + RESCALE_MODE 0 +Library routine used to diagonalize matrices. + +******************************************************************************** + Options in energy minimization: +******************************************************************************** +MaxMin: 3000 MaxFun: 1000MinMin: 3000 MinFun: 3000 TolF: 1.00000E-02 RTolF: 1.00000E-04 + NCONF_IN 0 + +Energy-term weights (unscaled): + +WSCC= 1.352790 (SC-SC) +WSCP= 1.593040 (SC-p) +WELEC= 0.715340 (p-p electr) +WVDWPP= 0.113710 (p-p VDW) +WBOND= 1.000000 (stretching) +WANG= 1.138730 (bending) +WSCLOC= 0.162580 (SC local) +WTOR= 1.985990 (torsional) +WTORD= 1.570690 (double torsional) +WSTRAIN= 1.000000 (SS bridges & dist. cnstr.) +WEL_LOC= 0.160360 (multi-body 3-rd order) +WCORR4= 0.428870 (multi-body 4th order) +WCORR5= 0.000000 (multi-body 5th order) +WCORR6= 0.000000 (multi-body 6th order) +WSCCOR= 0.000000 (back-scloc correlation) +WTURN3= 1.687220 (turns, 3rd order) +WTURN4= 0.662300 (turns, 4th order) +WTURN6= 0.000000 (turns, 6th order) +WDFA_D= 0.000000 (DFA, distance) +WDFA_T= 0.000000 (DFA, torsional) +WDFA_N= 0.000000 (DFA, number of neighbor) +WDFA_B= 0.000000 (DFA, beta formation) + +Hydrogen-bonding correlation between contact pairs of peptide groups + +Scaling factor of 1,4 SC-p interactions: 0.400 +General scaling factor of SC-p interactions: 1.000 + +Energy-term weights (scaled): + +WSCC= 1.352790 (SC-SC) +WSCP= 1.593040 (SC-p) +WELEC= 0.715340 (p-p electr) +WVDWPP= 0.113710 (p-p VDW) +WBOND= 1.000000 (stretching) +WANG= 1.138730 (bending) +WSCLOC= 0.162580 (SC local) +WTOR= 1.985990 (torsional) +WTORD= 1.570690 (double torsional) +WSTRAIN= 1.000000 (SS bridges & dist. cnstr.) +WEL_LOC= 0.160360 (multi-body 3-rd order) +WCORR4= 0.428870 (multi-body 4th order) +WCORR5= 0.000000 (multi-body 5th order) +WCORR6= 0.000000 (multi-body 6th order) +WSCCOR= 0.000000 (back-scloc correlatkion) +WTURN3= 1.687220 (turns, 3rd order) +WTURN4= 0.662300 (turns, 4th order) +WTURN6= 0.000000 (turns, 6th order) +WDFA_D= 0.000000 (DFA, distance) +WDFA_T= 0.000000 (DFA, torsional) +WDFA_N= 0.000000 (DFA, number of neighbor) +WDFA_B= 0.000000 (DFA, beta formation) + Reference temperature for weights calculation: 300.000000000000 + Parameters of the SS-bond potential: + D0CM 3.78000000000000 AKCM 15.1000000000000 AKTH + 11.0000000000000 AKCT 12.0000000000000 + V1SS -1.08000000000000 V2SS 7.61000000000000 V3SS + 13.7000000000000 + EBR -5.50000000000000 + ITEL + 1 21 0 + 2 14 1 + 3 5 1 + 4 8 1 + 5 4 1 + 6 13 1 + 7 7 1 + 8 5 1 + 9 19 1 + 10 16 1 + 11 10 1 + 12 10 2 + 13 20 1 + 14 12 1 + 15 12 1 + 16 10 1 + 17 18 2 + 18 20 2 + 19 20 2 + 20 20 1 + 21 12 0 + ns= 0 iss: + There are 22 constraints on phi angles. + 1 0.000 180.000 + 2 0.000 180.000 + 3 0.000 180.000 + 4 0.000 180.000 + 5 0.000 180.000 + 6 0.000 180.000 + 7 45.000 5.000 + 8 45.000 5.000 + 9 45.000 5.000 + 10 45.000 5.000 + 11 45.000 5.000 + 12 45.000 5.000 + 13 0.000 180.000 + 14 0.000 180.000 + 15 0.000 180.000 + 16 0.000 180.000 + 17 0.000 180.000 + 18 0.000 180.000 + 19 0.000 180.000 + 20 0.000 180.000 + 21 0.000 180.000 + 22 0.000 180.000 + FTORS 0.000000000000000E+000 + NZ_START= 2 NZ_END= 21 + IZ_SC= 0 + +Geometry of the virtual chain. + Res d Theta Gamma Dsc Alpha Beta +D 1 0.000 0.000 0.000 0.000 0.000 0.000 +ASN 2 3.800 0.000 0.000 1.684 0.000 0.000 +LEU 3 3.800 0.000 0.000 1.939 0.000 0.000 +TYR 4 3.800 0.000 0.000 2.484 0.000 0.000 +ILE 5 3.800 0.000 0.000 1.776 0.000 0.000 +GLN 6 3.800 0.000 0.000 2.240 0.000 0.000 +TRP 7 3.800 0.000 0.000 2.605 0.000 0.000 +LEU 8 3.800 0.000 0.000 1.939 0.000 0.000 +LYS 9 3.800 0.000 0.000 2.541 0.000 0.000 +ASP 10 3.800 0.000 0.000 1.709 0.000 0.000 +GLY 11 3.800 0.000 0.000 0.000 0.000 0.000 +GLY 12 3.800 0.000 0.000 0.000 0.000 0.000 +PRO 13 3.800 0.000 0.000 1.345 0.000 0.000 +SER 14 3.800 0.000 0.000 1.150 0.000 0.000 +SER 15 3.800 0.000 0.000 1.150 0.000 0.000 +GLY 16 3.800 0.000 0.000 0.000 0.000 0.000 +ARG 17 3.800 0.000 0.000 3.020 0.000 0.000 +PRO 18 3.800 0.000 0.000 1.345 0.000 0.000 +PRO 19 3.800 0.000 0.000 1.345 0.000 0.000 +PRO 20 3.800 0.000 0.000 1.345 0.000 0.000 +SER 21 3.800 0.000 0.000 1.150 0.000 0.000 +D 22 3.800 0.000 0.000 0.000 0.000 0.000 + + +******************************************************************************** + Processor 11: end reading molecular data. +******************************************************************************** + + +CSA calculations calculation. + +Conformations will be energy-minimized. +******************************************************************************** + +Waiting for 0.1445 sec +Waiting for 0.0000 sec +Waiting for 0.1211 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0430 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec + Finishing minim_jlee - signal 0 from master +Waiting for 0.6055 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0352 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.4727 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.5078 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2695 sec +Waiting for 0.0078 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.4883 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3516 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.4766 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2930 sec +Waiting for 0.0000 sec +Waiting for 0.0273 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2578 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.5117 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3047 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0273 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.4844 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3320 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0117 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.4531 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3789 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0430 sec +Waiting for 0.3242 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3359 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.4922 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec 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+Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.4570 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 1.4609 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 1.0391 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.6836 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.6406 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.5312 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2812 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3281 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3828 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3672 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.3203 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.3242 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.4609 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3398 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3750 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.1602 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.4062 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3125 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3125 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3672 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.5703 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2500 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.5859 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.6211 sec + Finishing minim_jlee - signal 0 from master + End of minim, proc 11 time 220.968750000000 +CG processor 11 is finishing work. + Total wall clock time 224.531250000000 sec diff --git a/examples/unres/CSA/GAB/CSA/global/restrained/1l2y_csa.out_GB012 b/examples/unres/CSA/GAB/CSA/global/restrained/1l2y_csa.out_GB012 new file mode 100644 index 0000000..6188ba5 --- /dev/null +++ b/examples/unres/CSA/GAB/CSA/global/restrained/1l2y_csa.out_GB012 @@ -0,0 +1,1779 @@ +******************************************************************************** +United-residue force field calculation - parallel job. +******************************************************************************** + MPI: node= 12 iseed= -39776658 + ran_num 0.558781067566751 +RMSDBC = 3.0 +RMSDBC1 = 0.5 +RMSDBC1MAX = 1.5 +DRMS = 0.1 +RMSDBCM = 3.0 +Time limit (min): 960.0 + RESCALE_MODE 0 +Library routine used to diagonalize matrices. + +******************************************************************************** + Options in energy minimization: +******************************************************************************** +MaxMin: 3000 MaxFun: 1000MinMin: 3000 MinFun: 3000 TolF: 1.00000E-02 RTolF: 1.00000E-04 + NCONF_IN 0 + +Energy-term weights (unscaled): + +WSCC= 1.352790 (SC-SC) +WSCP= 1.593040 (SC-p) +WELEC= 0.715340 (p-p electr) +WVDWPP= 0.113710 (p-p VDW) +WBOND= 1.000000 (stretching) +WANG= 1.138730 (bending) +WSCLOC= 0.162580 (SC local) +WTOR= 1.985990 (torsional) +WTORD= 1.570690 (double torsional) +WSTRAIN= 1.000000 (SS bridges & dist. cnstr.) +WEL_LOC= 0.160360 (multi-body 3-rd order) +WCORR4= 0.428870 (multi-body 4th order) +WCORR5= 0.000000 (multi-body 5th order) +WCORR6= 0.000000 (multi-body 6th order) +WSCCOR= 0.000000 (back-scloc correlation) +WTURN3= 1.687220 (turns, 3rd order) +WTURN4= 0.662300 (turns, 4th order) +WTURN6= 0.000000 (turns, 6th order) +WDFA_D= 0.000000 (DFA, distance) +WDFA_T= 0.000000 (DFA, torsional) +WDFA_N= 0.000000 (DFA, number of neighbor) +WDFA_B= 0.000000 (DFA, beta formation) + +Hydrogen-bonding correlation between contact pairs of peptide groups + +Scaling factor of 1,4 SC-p interactions: 0.400 +General scaling factor of SC-p interactions: 1.000 + +Energy-term weights (scaled): + +WSCC= 1.352790 (SC-SC) +WSCP= 1.593040 (SC-p) +WELEC= 0.715340 (p-p electr) +WVDWPP= 0.113710 (p-p VDW) +WBOND= 1.000000 (stretching) +WANG= 1.138730 (bending) +WSCLOC= 0.162580 (SC local) +WTOR= 1.985990 (torsional) +WTORD= 1.570690 (double torsional) +WSTRAIN= 1.000000 (SS bridges & dist. cnstr.) +WEL_LOC= 0.160360 (multi-body 3-rd order) +WCORR4= 0.428870 (multi-body 4th order) +WCORR5= 0.000000 (multi-body 5th order) +WCORR6= 0.000000 (multi-body 6th order) +WSCCOR= 0.000000 (back-scloc correlatkion) +WTURN3= 1.687220 (turns, 3rd order) +WTURN4= 0.662300 (turns, 4th order) +WTURN6= 0.000000 (turns, 6th order) +WDFA_D= 0.000000 (DFA, distance) +WDFA_T= 0.000000 (DFA, torsional) +WDFA_N= 0.000000 (DFA, number of neighbor) +WDFA_B= 0.000000 (DFA, beta formation) + Reference temperature for weights calculation: 300.000000000000 + Parameters of the SS-bond potential: + D0CM 3.78000000000000 AKCM 15.1000000000000 AKTH + 11.0000000000000 AKCT 12.0000000000000 + V1SS -1.08000000000000 V2SS 7.61000000000000 V3SS + 13.7000000000000 + EBR -5.50000000000000 + ITEL + 1 21 0 + 2 14 1 + 3 5 1 + 4 8 1 + 5 4 1 + 6 13 1 + 7 7 1 + 8 5 1 + 9 19 1 + 10 16 1 + 11 10 1 + 12 10 2 + 13 20 1 + 14 12 1 + 15 12 1 + 16 10 1 + 17 18 2 + 18 20 2 + 19 20 2 + 20 20 1 + 21 12 0 + ns= 0 iss: + There are 22 constraints on phi angles. + 1 0.000 180.000 + 2 0.000 180.000 + 3 0.000 180.000 + 4 0.000 180.000 + 5 0.000 180.000 + 6 0.000 180.000 + 7 45.000 5.000 + 8 45.000 5.000 + 9 45.000 5.000 + 10 45.000 5.000 + 11 45.000 5.000 + 12 45.000 5.000 + 13 0.000 180.000 + 14 0.000 180.000 + 15 0.000 180.000 + 16 0.000 180.000 + 17 0.000 180.000 + 18 0.000 180.000 + 19 0.000 180.000 + 20 0.000 180.000 + 21 0.000 180.000 + 22 0.000 180.000 + FTORS 0.000000000000000E+000 + NZ_START= 2 NZ_END= 21 + IZ_SC= 0 + +Geometry of the virtual chain. + Res d Theta Gamma Dsc Alpha Beta +D 1 0.000 0.000 0.000 0.000 0.000 0.000 +ASN 2 3.800 0.000 0.000 1.684 0.000 0.000 +LEU 3 3.800 0.000 0.000 1.939 0.000 0.000 +TYR 4 3.800 0.000 0.000 2.484 0.000 0.000 +ILE 5 3.800 0.000 0.000 1.776 0.000 0.000 +GLN 6 3.800 0.000 0.000 2.240 0.000 0.000 +TRP 7 3.800 0.000 0.000 2.605 0.000 0.000 +LEU 8 3.800 0.000 0.000 1.939 0.000 0.000 +LYS 9 3.800 0.000 0.000 2.541 0.000 0.000 +ASP 10 3.800 0.000 0.000 1.709 0.000 0.000 +GLY 11 3.800 0.000 0.000 0.000 0.000 0.000 +GLY 12 3.800 0.000 0.000 0.000 0.000 0.000 +PRO 13 3.800 0.000 0.000 1.345 0.000 0.000 +SER 14 3.800 0.000 0.000 1.150 0.000 0.000 +SER 15 3.800 0.000 0.000 1.150 0.000 0.000 +GLY 16 3.800 0.000 0.000 0.000 0.000 0.000 +ARG 17 3.800 0.000 0.000 3.020 0.000 0.000 +PRO 18 3.800 0.000 0.000 1.345 0.000 0.000 +PRO 19 3.800 0.000 0.000 1.345 0.000 0.000 +PRO 20 3.800 0.000 0.000 1.345 0.000 0.000 +SER 21 3.800 0.000 0.000 1.150 0.000 0.000 +D 22 3.800 0.000 0.000 0.000 0.000 0.000 + + +******************************************************************************** + Processor 12: end reading molecular data. +******************************************************************************** + + +CSA calculations calculation. + +Conformations will be energy-minimized. +******************************************************************************** + +Waiting for 0.1367 sec +Waiting for 0.1797 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0195 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec + Finishing minim_jlee - signal 0 from master +Waiting for 0.6055 sec +Waiting for 0.0000 sec +Waiting for 0.0391 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0078 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.4805 sec +Waiting for 0.0000 sec +Waiting for 0.0547 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0156 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.5273 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2734 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0234 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.4961 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3125 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.4883 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3086 sec +Waiting for 0.0000 sec +Waiting for 0.0273 sec +Waiting for 0.0312 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2305 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0430 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.4219 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3047 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0430 sec +Waiting for 0.4414 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3242 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec 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+Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.5039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.7148 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.6562 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 1.2383 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.5078 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 1.4492 sec +Waiting for 0.0000 sec +Waiting for 0.0078 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 1.0938 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.6992 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.5820 sec +Waiting for 0.0078 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.5234 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3281 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3516 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3750 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3750 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0391 sec +Waiting for 0.3359 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3086 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.5000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3164 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3711 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.3594 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.4219 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3125 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.4023 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3594 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.5000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.3242 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.4961 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.6484 sec + Finishing minim_jlee - signal 0 from master + End of minim, proc 12 time 220.972656250000 +CG processor 12 is finishing work. + Total wall clock time 224.527343750000 sec diff --git a/examples/unres/CSA/GAB/CSA/global/restrained/1l2y_csa.out_GB013 b/examples/unres/CSA/GAB/CSA/global/restrained/1l2y_csa.out_GB013 new file mode 100644 index 0000000..db1c27f --- /dev/null +++ b/examples/unres/CSA/GAB/CSA/global/restrained/1l2y_csa.out_GB013 @@ -0,0 +1,1825 @@ +******************************************************************************** +United-residue force field calculation - parallel job. +******************************************************************************** + MPI: node= 13 iseed= -42836401 + ran_num 0.832533313419530 +RMSDBC = 3.0 +RMSDBC1 = 0.5 +RMSDBC1MAX = 1.5 +DRMS = 0.1 +RMSDBCM = 3.0 +Time limit (min): 960.0 + RESCALE_MODE 0 +Library routine used to diagonalize matrices. + +******************************************************************************** + Options in energy minimization: +******************************************************************************** +MaxMin: 3000 MaxFun: 1000MinMin: 3000 MinFun: 3000 TolF: 1.00000E-02 RTolF: 1.00000E-04 + NCONF_IN 0 + +Energy-term weights (unscaled): + +WSCC= 1.352790 (SC-SC) +WSCP= 1.593040 (SC-p) +WELEC= 0.715340 (p-p electr) +WVDWPP= 0.113710 (p-p VDW) +WBOND= 1.000000 (stretching) +WANG= 1.138730 (bending) +WSCLOC= 0.162580 (SC local) +WTOR= 1.985990 (torsional) +WTORD= 1.570690 (double torsional) +WSTRAIN= 1.000000 (SS bridges & dist. cnstr.) +WEL_LOC= 0.160360 (multi-body 3-rd order) +WCORR4= 0.428870 (multi-body 4th order) +WCORR5= 0.000000 (multi-body 5th order) +WCORR6= 0.000000 (multi-body 6th order) +WSCCOR= 0.000000 (back-scloc correlation) +WTURN3= 1.687220 (turns, 3rd order) +WTURN4= 0.662300 (turns, 4th order) +WTURN6= 0.000000 (turns, 6th order) +WDFA_D= 0.000000 (DFA, distance) +WDFA_T= 0.000000 (DFA, torsional) +WDFA_N= 0.000000 (DFA, number of neighbor) +WDFA_B= 0.000000 (DFA, beta formation) + +Hydrogen-bonding correlation between contact pairs of peptide groups + +Scaling factor of 1,4 SC-p interactions: 0.400 +General scaling factor of SC-p interactions: 1.000 + +Energy-term weights (scaled): + +WSCC= 1.352790 (SC-SC) +WSCP= 1.593040 (SC-p) +WELEC= 0.715340 (p-p electr) +WVDWPP= 0.113710 (p-p VDW) +WBOND= 1.000000 (stretching) +WANG= 1.138730 (bending) +WSCLOC= 0.162580 (SC local) +WTOR= 1.985990 (torsional) +WTORD= 1.570690 (double torsional) +WSTRAIN= 1.000000 (SS bridges & dist. cnstr.) +WEL_LOC= 0.160360 (multi-body 3-rd order) +WCORR4= 0.428870 (multi-body 4th order) +WCORR5= 0.000000 (multi-body 5th order) +WCORR6= 0.000000 (multi-body 6th order) +WSCCOR= 0.000000 (back-scloc correlatkion) +WTURN3= 1.687220 (turns, 3rd order) +WTURN4= 0.662300 (turns, 4th order) +WTURN6= 0.000000 (turns, 6th order) +WDFA_D= 0.000000 (DFA, distance) +WDFA_T= 0.000000 (DFA, torsional) +WDFA_N= 0.000000 (DFA, number of neighbor) +WDFA_B= 0.000000 (DFA, beta formation) + Reference temperature for weights calculation: 300.000000000000 + Parameters of the SS-bond potential: + D0CM 3.78000000000000 AKCM 15.1000000000000 AKTH + 11.0000000000000 AKCT 12.0000000000000 + V1SS -1.08000000000000 V2SS 7.61000000000000 V3SS + 13.7000000000000 + EBR -5.50000000000000 + ITEL + 1 21 0 + 2 14 1 + 3 5 1 + 4 8 1 + 5 4 1 + 6 13 1 + 7 7 1 + 8 5 1 + 9 19 1 + 10 16 1 + 11 10 1 + 12 10 2 + 13 20 1 + 14 12 1 + 15 12 1 + 16 10 1 + 17 18 2 + 18 20 2 + 19 20 2 + 20 20 1 + 21 12 0 + ns= 0 iss: + There are 22 constraints on phi angles. + 1 0.000 180.000 + 2 0.000 180.000 + 3 0.000 180.000 + 4 0.000 180.000 + 5 0.000 180.000 + 6 0.000 180.000 + 7 45.000 5.000 + 8 45.000 5.000 + 9 45.000 5.000 + 10 45.000 5.000 + 11 45.000 5.000 + 12 45.000 5.000 + 13 0.000 180.000 + 14 0.000 180.000 + 15 0.000 180.000 + 16 0.000 180.000 + 17 0.000 180.000 + 18 0.000 180.000 + 19 0.000 180.000 + 20 0.000 180.000 + 21 0.000 180.000 + 22 0.000 180.000 + FTORS 0.000000000000000E+000 + NZ_START= 2 NZ_END= 21 + IZ_SC= 0 + +Geometry of the virtual chain. + Res d Theta Gamma Dsc Alpha Beta +D 1 0.000 0.000 0.000 0.000 0.000 0.000 +ASN 2 3.800 0.000 0.000 1.684 0.000 0.000 +LEU 3 3.800 0.000 0.000 1.939 0.000 0.000 +TYR 4 3.800 0.000 0.000 2.484 0.000 0.000 +ILE 5 3.800 0.000 0.000 1.776 0.000 0.000 +GLN 6 3.800 0.000 0.000 2.240 0.000 0.000 +TRP 7 3.800 0.000 0.000 2.605 0.000 0.000 +LEU 8 3.800 0.000 0.000 1.939 0.000 0.000 +LYS 9 3.800 0.000 0.000 2.541 0.000 0.000 +ASP 10 3.800 0.000 0.000 1.709 0.000 0.000 +GLY 11 3.800 0.000 0.000 0.000 0.000 0.000 +GLY 12 3.800 0.000 0.000 0.000 0.000 0.000 +PRO 13 3.800 0.000 0.000 1.345 0.000 0.000 +SER 14 3.800 0.000 0.000 1.150 0.000 0.000 +SER 15 3.800 0.000 0.000 1.150 0.000 0.000 +GLY 16 3.800 0.000 0.000 0.000 0.000 0.000 +ARG 17 3.800 0.000 0.000 3.020 0.000 0.000 +PRO 18 3.800 0.000 0.000 1.345 0.000 0.000 +PRO 19 3.800 0.000 0.000 1.345 0.000 0.000 +PRO 20 3.800 0.000 0.000 1.345 0.000 0.000 +SER 21 3.800 0.000 0.000 1.150 0.000 0.000 +D 22 3.800 0.000 0.000 0.000 0.000 0.000 + + +******************************************************************************** + Processor 13: end reading molecular data. +******************************************************************************** + + +CSA calculations calculation. + +Conformations will be energy-minimized. +******************************************************************************** + +Waiting for 0.1328 sec +Waiting for 0.0312 sec +Waiting for 0.0234 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0352 sec +Waiting for 0.0000 sec +Waiting for 0.0234 sec + Finishing minim_jlee - signal 0 from master +Waiting for 0.6016 sec +Waiting for 0.0195 sec +Waiting for 0.0273 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.4766 sec +Waiting for 0.0000 sec +Waiting for 0.0195 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.4922 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2891 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0391 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.5078 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2852 sec +Waiting for 0.0117 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.4805 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3125 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0195 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3008 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0508 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.5078 sec +Waiting for 0.0000 sec +Waiting for 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0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3281 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3555 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.5156 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec 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0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3359 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3594 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3789 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.5430 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3242 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.4766 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.6992 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.6875 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 1.2383 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.4883 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 1.4531 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 1.0781 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.6914 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.5742 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.5078 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3594 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3633 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3945 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3516 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0156 sec +Waiting for 0.3320 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2578 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.4609 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2188 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3711 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3516 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.4180 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3359 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.4141 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2891 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0117 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.4883 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2930 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.5820 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.6094 sec + Finishing minim_jlee - signal 0 from master + End of minim, proc 13 time 220.972656250000 +CG processor 13 is finishing work. + Total wall clock time 224.527343750000 sec diff --git a/examples/unres/CSA/GAB/CSA/global/restrained/1l2y_csa.out_GB014 b/examples/unres/CSA/GAB/CSA/global/restrained/1l2y_csa.out_GB014 new file mode 100644 index 0000000..b3ce94e --- /dev/null +++ b/examples/unres/CSA/GAB/CSA/global/restrained/1l2y_csa.out_GB014 @@ -0,0 +1,1776 @@ +******************************************************************************** +United-residue force field calculation - parallel job. +******************************************************************************** + MPI: node= 14 iseed= -45896144 + ran_num 0.106285559272310 +RMSDBC = 3.0 +RMSDBC1 = 0.5 +RMSDBC1MAX = 1.5 +DRMS = 0.1 +RMSDBCM = 3.0 +Time limit (min): 960.0 + RESCALE_MODE 0 +Library routine used to diagonalize matrices. + +******************************************************************************** + Options in energy minimization: +******************************************************************************** +MaxMin: 3000 MaxFun: 1000MinMin: 3000 MinFun: 3000 TolF: 1.00000E-02 RTolF: 1.00000E-04 + NCONF_IN 0 + +Energy-term weights (unscaled): + +WSCC= 1.352790 (SC-SC) +WSCP= 1.593040 (SC-p) +WELEC= 0.715340 (p-p electr) +WVDWPP= 0.113710 (p-p VDW) +WBOND= 1.000000 (stretching) +WANG= 1.138730 (bending) +WSCLOC= 0.162580 (SC local) +WTOR= 1.985990 (torsional) +WTORD= 1.570690 (double torsional) +WSTRAIN= 1.000000 (SS bridges & dist. cnstr.) +WEL_LOC= 0.160360 (multi-body 3-rd order) +WCORR4= 0.428870 (multi-body 4th order) +WCORR5= 0.000000 (multi-body 5th order) +WCORR6= 0.000000 (multi-body 6th order) +WSCCOR= 0.000000 (back-scloc correlation) +WTURN3= 1.687220 (turns, 3rd order) +WTURN4= 0.662300 (turns, 4th order) +WTURN6= 0.000000 (turns, 6th order) +WDFA_D= 0.000000 (DFA, distance) +WDFA_T= 0.000000 (DFA, torsional) +WDFA_N= 0.000000 (DFA, number of neighbor) +WDFA_B= 0.000000 (DFA, beta formation) + +Hydrogen-bonding correlation between contact pairs of peptide groups + +Scaling factor of 1,4 SC-p interactions: 0.400 +General scaling factor of SC-p interactions: 1.000 + +Energy-term weights (scaled): + +WSCC= 1.352790 (SC-SC) +WSCP= 1.593040 (SC-p) +WELEC= 0.715340 (p-p electr) +WVDWPP= 0.113710 (p-p VDW) +WBOND= 1.000000 (stretching) +WANG= 1.138730 (bending) +WSCLOC= 0.162580 (SC local) +WTOR= 1.985990 (torsional) +WTORD= 1.570690 (double torsional) +WSTRAIN= 1.000000 (SS bridges & dist. cnstr.) +WEL_LOC= 0.160360 (multi-body 3-rd order) +WCORR4= 0.428870 (multi-body 4th order) +WCORR5= 0.000000 (multi-body 5th order) +WCORR6= 0.000000 (multi-body 6th order) +WSCCOR= 0.000000 (back-scloc correlatkion) +WTURN3= 1.687220 (turns, 3rd order) +WTURN4= 0.662300 (turns, 4th order) +WTURN6= 0.000000 (turns, 6th order) +WDFA_D= 0.000000 (DFA, distance) +WDFA_T= 0.000000 (DFA, torsional) +WDFA_N= 0.000000 (DFA, number of neighbor) +WDFA_B= 0.000000 (DFA, beta formation) + Reference temperature for weights calculation: 300.000000000000 + Parameters of the SS-bond potential: + D0CM 3.78000000000000 AKCM 15.1000000000000 AKTH + 11.0000000000000 AKCT 12.0000000000000 + V1SS -1.08000000000000 V2SS 7.61000000000000 V3SS + 13.7000000000000 + EBR -5.50000000000000 + ITEL + 1 21 0 + 2 14 1 + 3 5 1 + 4 8 1 + 5 4 1 + 6 13 1 + 7 7 1 + 8 5 1 + 9 19 1 + 10 16 1 + 11 10 1 + 12 10 2 + 13 20 1 + 14 12 1 + 15 12 1 + 16 10 1 + 17 18 2 + 18 20 2 + 19 20 2 + 20 20 1 + 21 12 0 + ns= 0 iss: + There are 22 constraints on phi angles. + 1 0.000 180.000 + 2 0.000 180.000 + 3 0.000 180.000 + 4 0.000 180.000 + 5 0.000 180.000 + 6 0.000 180.000 + 7 45.000 5.000 + 8 45.000 5.000 + 9 45.000 5.000 + 10 45.000 5.000 + 11 45.000 5.000 + 12 45.000 5.000 + 13 0.000 180.000 + 14 0.000 180.000 + 15 0.000 180.000 + 16 0.000 180.000 + 17 0.000 180.000 + 18 0.000 180.000 + 19 0.000 180.000 + 20 0.000 180.000 + 21 0.000 180.000 + 22 0.000 180.000 + FTORS 0.000000000000000E+000 + NZ_START= 2 NZ_END= 21 + IZ_SC= 0 + +Geometry of the virtual chain. + Res d Theta Gamma Dsc Alpha Beta +D 1 0.000 0.000 0.000 0.000 0.000 0.000 +ASN 2 3.800 0.000 0.000 1.684 0.000 0.000 +LEU 3 3.800 0.000 0.000 1.939 0.000 0.000 +TYR 4 3.800 0.000 0.000 2.484 0.000 0.000 +ILE 5 3.800 0.000 0.000 1.776 0.000 0.000 +GLN 6 3.800 0.000 0.000 2.240 0.000 0.000 +TRP 7 3.800 0.000 0.000 2.605 0.000 0.000 +LEU 8 3.800 0.000 0.000 1.939 0.000 0.000 +LYS 9 3.800 0.000 0.000 2.541 0.000 0.000 +ASP 10 3.800 0.000 0.000 1.709 0.000 0.000 +GLY 11 3.800 0.000 0.000 0.000 0.000 0.000 +GLY 12 3.800 0.000 0.000 0.000 0.000 0.000 +PRO 13 3.800 0.000 0.000 1.345 0.000 0.000 +SER 14 3.800 0.000 0.000 1.150 0.000 0.000 +SER 15 3.800 0.000 0.000 1.150 0.000 0.000 +GLY 16 3.800 0.000 0.000 0.000 0.000 0.000 +ARG 17 3.800 0.000 0.000 3.020 0.000 0.000 +PRO 18 3.800 0.000 0.000 1.345 0.000 0.000 +PRO 19 3.800 0.000 0.000 1.345 0.000 0.000 +PRO 20 3.800 0.000 0.000 1.345 0.000 0.000 +SER 21 3.800 0.000 0.000 1.150 0.000 0.000 +D 22 3.800 0.000 0.000 0.000 0.000 0.000 + + +******************************************************************************** + Processor 14: end reading molecular data. +******************************************************************************** + + +CSA calculations calculation. + +Conformations will be energy-minimized. +******************************************************************************** + +Waiting for 0.1328 sec +Waiting for 0.0000 sec +Waiting for 0.0781 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0078 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0117 sec + Finishing minim_jlee - signal 0 from master +Waiting for 0.0000 sec +Waiting for 0.0898 sec +Waiting for 0.0625 sec +Waiting for 0.0039 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.4531 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.2930 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0469 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.4727 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0195 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3047 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.4688 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec 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0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.5625 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0078 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.4297 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.6992 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec 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0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3398 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2773 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3945 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3359 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3203 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3906 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.4883 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3477 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.4258 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.6953 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.6758 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 1.2383 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3750 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 1.2734 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 1.0938 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.6484 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.5820 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.4922 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3672 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3359 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3945 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3398 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0547 sec +Waiting for 0.3438 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3164 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.5000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3242 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3438 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3594 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.4180 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3359 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.4102 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3555 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.5625 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3047 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.6406 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.5430 sec + Finishing minim_jlee - signal 0 from master + End of minim, proc 14 time 218.062500000000 +CG processor 14 is finishing work. + Total wall clock time 224.523437500000 sec diff --git a/examples/unres/CSA/GAB/CSA/global/restrained/1l2y_csa.out_GB015 b/examples/unres/CSA/GAB/CSA/global/restrained/1l2y_csa.out_GB015 new file mode 100644 index 0000000..7addbc3 --- /dev/null +++ b/examples/unres/CSA/GAB/CSA/global/restrained/1l2y_csa.out_GB015 @@ -0,0 +1,1811 @@ +******************************************************************************** +United-residue force field calculation - parallel job. +******************************************************************************** + MPI: node= 15 iseed= -48955887 + ran_num 0.380037805125089 +RMSDBC = 3.0 +RMSDBC1 = 0.5 +RMSDBC1MAX = 1.5 +DRMS = 0.1 +RMSDBCM = 3.0 +Time limit (min): 960.0 + RESCALE_MODE 0 +Library routine used to diagonalize matrices. + +******************************************************************************** + Options in energy minimization: +******************************************************************************** +MaxMin: 3000 MaxFun: 1000MinMin: 3000 MinFun: 3000 TolF: 1.00000E-02 RTolF: 1.00000E-04 + NCONF_IN 0 + +Energy-term weights (unscaled): + +WSCC= 1.352790 (SC-SC) +WSCP= 1.593040 (SC-p) +WELEC= 0.715340 (p-p electr) +WVDWPP= 0.113710 (p-p VDW) +WBOND= 1.000000 (stretching) +WANG= 1.138730 (bending) +WSCLOC= 0.162580 (SC local) +WTOR= 1.985990 (torsional) +WTORD= 1.570690 (double torsional) +WSTRAIN= 1.000000 (SS bridges & dist. cnstr.) +WEL_LOC= 0.160360 (multi-body 3-rd order) +WCORR4= 0.428870 (multi-body 4th order) +WCORR5= 0.000000 (multi-body 5th order) +WCORR6= 0.000000 (multi-body 6th order) +WSCCOR= 0.000000 (back-scloc correlation) +WTURN3= 1.687220 (turns, 3rd order) +WTURN4= 0.662300 (turns, 4th order) +WTURN6= 0.000000 (turns, 6th order) +WDFA_D= 0.000000 (DFA, distance) +WDFA_T= 0.000000 (DFA, torsional) +WDFA_N= 0.000000 (DFA, number of neighbor) +WDFA_B= 0.000000 (DFA, beta formation) + +Hydrogen-bonding correlation between contact pairs of peptide groups + +Scaling factor of 1,4 SC-p interactions: 0.400 +General scaling factor of SC-p interactions: 1.000 + +Energy-term weights (scaled): + +WSCC= 1.352790 (SC-SC) +WSCP= 1.593040 (SC-p) +WELEC= 0.715340 (p-p electr) +WVDWPP= 0.113710 (p-p VDW) +WBOND= 1.000000 (stretching) +WANG= 1.138730 (bending) +WSCLOC= 0.162580 (SC local) +WTOR= 1.985990 (torsional) +WTORD= 1.570690 (double torsional) +WSTRAIN= 1.000000 (SS bridges & dist. cnstr.) +WEL_LOC= 0.160360 (multi-body 3-rd order) +WCORR4= 0.428870 (multi-body 4th order) +WCORR5= 0.000000 (multi-body 5th order) +WCORR6= 0.000000 (multi-body 6th order) +WSCCOR= 0.000000 (back-scloc correlatkion) +WTURN3= 1.687220 (turns, 3rd order) +WTURN4= 0.662300 (turns, 4th order) +WTURN6= 0.000000 (turns, 6th order) +WDFA_D= 0.000000 (DFA, distance) +WDFA_T= 0.000000 (DFA, torsional) +WDFA_N= 0.000000 (DFA, number of neighbor) +WDFA_B= 0.000000 (DFA, beta formation) + Reference temperature for weights calculation: 300.000000000000 + Parameters of the SS-bond potential: + D0CM 3.78000000000000 AKCM 15.1000000000000 AKTH + 11.0000000000000 AKCT 12.0000000000000 + V1SS -1.08000000000000 V2SS 7.61000000000000 V3SS + 13.7000000000000 + EBR -5.50000000000000 + ITEL + 1 21 0 + 2 14 1 + 3 5 1 + 4 8 1 + 5 4 1 + 6 13 1 + 7 7 1 + 8 5 1 + 9 19 1 + 10 16 1 + 11 10 1 + 12 10 2 + 13 20 1 + 14 12 1 + 15 12 1 + 16 10 1 + 17 18 2 + 18 20 2 + 19 20 2 + 20 20 1 + 21 12 0 + ns= 0 iss: + There are 22 constraints on phi angles. + 1 0.000 180.000 + 2 0.000 180.000 + 3 0.000 180.000 + 4 0.000 180.000 + 5 0.000 180.000 + 6 0.000 180.000 + 7 45.000 5.000 + 8 45.000 5.000 + 9 45.000 5.000 + 10 45.000 5.000 + 11 45.000 5.000 + 12 45.000 5.000 + 13 0.000 180.000 + 14 0.000 180.000 + 15 0.000 180.000 + 16 0.000 180.000 + 17 0.000 180.000 + 18 0.000 180.000 + 19 0.000 180.000 + 20 0.000 180.000 + 21 0.000 180.000 + 22 0.000 180.000 + FTORS 0.000000000000000E+000 + NZ_START= 2 NZ_END= 21 + IZ_SC= 0 + +Geometry of the virtual chain. + Res d Theta Gamma Dsc Alpha Beta +D 1 0.000 0.000 0.000 0.000 0.000 0.000 +ASN 2 3.800 0.000 0.000 1.684 0.000 0.000 +LEU 3 3.800 0.000 0.000 1.939 0.000 0.000 +TYR 4 3.800 0.000 0.000 2.484 0.000 0.000 +ILE 5 3.800 0.000 0.000 1.776 0.000 0.000 +GLN 6 3.800 0.000 0.000 2.240 0.000 0.000 +TRP 7 3.800 0.000 0.000 2.605 0.000 0.000 +LEU 8 3.800 0.000 0.000 1.939 0.000 0.000 +LYS 9 3.800 0.000 0.000 2.541 0.000 0.000 +ASP 10 3.800 0.000 0.000 1.709 0.000 0.000 +GLY 11 3.800 0.000 0.000 0.000 0.000 0.000 +GLY 12 3.800 0.000 0.000 0.000 0.000 0.000 +PRO 13 3.800 0.000 0.000 1.345 0.000 0.000 +SER 14 3.800 0.000 0.000 1.150 0.000 0.000 +SER 15 3.800 0.000 0.000 1.150 0.000 0.000 +GLY 16 3.800 0.000 0.000 0.000 0.000 0.000 +ARG 17 3.800 0.000 0.000 3.020 0.000 0.000 +PRO 18 3.800 0.000 0.000 1.345 0.000 0.000 +PRO 19 3.800 0.000 0.000 1.345 0.000 0.000 +PRO 20 3.800 0.000 0.000 1.345 0.000 0.000 +SER 21 3.800 0.000 0.000 1.150 0.000 0.000 +D 22 3.800 0.000 0.000 0.000 0.000 0.000 + + +******************************************************************************** + Processor 15: end reading molecular data. +******************************************************************************** + + +CSA calculations calculation. + +Conformations will be energy-minimized. +******************************************************************************** + +Waiting for 0.1484 sec +Waiting for 0.0234 sec +Waiting for 0.0430 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0352 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec + Finishing minim_jlee - signal 0 from master +Waiting for 0.6133 sec +Waiting for 0.0000 sec +Waiting for 0.0625 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0508 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.4922 sec +Waiting for 0.0195 sec +Waiting for 0.0469 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.5195 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec 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0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3477 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 1.0469 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.4727 sec +Waiting for 0.0000 sec 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0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.4727 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.4258 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.6992 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0078 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2266 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2578 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.4258 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2773 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3125 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.4023 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3398 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.4023 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3594 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.4492 sec +Waiting for 0.0156 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3359 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.5000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.6719 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.6992 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 1.2070 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.5117 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 1.4336 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 1.0781 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.6094 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.5781 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.4531 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3281 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3711 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3789 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3164 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0391 sec +Waiting for 0.3516 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3438 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.3750 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3594 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3516 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3125 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.4258 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2852 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.4805 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3672 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.5195 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.3203 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.6562 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.6094 sec + Finishing minim_jlee - signal 0 from master + End of minim, proc 15 time 220.972656250000 +CG processor 15 is finishing work. + Total wall clock time 224.527343750000 sec diff --git a/examples/unres/CSA/GAB/CSA/global/restrained/1l2y_csa.out_GB016 b/examples/unres/CSA/GAB/CSA/global/restrained/1l2y_csa.out_GB016 new file mode 100644 index 0000000..d3c30fc --- /dev/null +++ b/examples/unres/CSA/GAB/CSA/global/restrained/1l2y_csa.out_GB016 @@ -0,0 +1,1821 @@ +******************************************************************************** +United-residue force field calculation - parallel job. +******************************************************************************** + MPI: node= 16 iseed= -52015630 + ran_num 0.653790050977869 +RMSDBC = 3.0 +RMSDBC1 = 0.5 +RMSDBC1MAX = 1.5 +DRMS = 0.1 +RMSDBCM = 3.0 +Time limit (min): 960.0 + RESCALE_MODE 0 +Library routine used to diagonalize matrices. + +******************************************************************************** + Options in energy minimization: +******************************************************************************** +MaxMin: 3000 MaxFun: 1000MinMin: 3000 MinFun: 3000 TolF: 1.00000E-02 RTolF: 1.00000E-04 + NCONF_IN 0 + +Energy-term weights (unscaled): + +WSCC= 1.352790 (SC-SC) +WSCP= 1.593040 (SC-p) +WELEC= 0.715340 (p-p electr) +WVDWPP= 0.113710 (p-p VDW) +WBOND= 1.000000 (stretching) +WANG= 1.138730 (bending) +WSCLOC= 0.162580 (SC local) +WTOR= 1.985990 (torsional) +WTORD= 1.570690 (double torsional) +WSTRAIN= 1.000000 (SS bridges & dist. cnstr.) +WEL_LOC= 0.160360 (multi-body 3-rd order) +WCORR4= 0.428870 (multi-body 4th order) +WCORR5= 0.000000 (multi-body 5th order) +WCORR6= 0.000000 (multi-body 6th order) +WSCCOR= 0.000000 (back-scloc correlation) +WTURN3= 1.687220 (turns, 3rd order) +WTURN4= 0.662300 (turns, 4th order) +WTURN6= 0.000000 (turns, 6th order) +WDFA_D= 0.000000 (DFA, distance) +WDFA_T= 0.000000 (DFA, torsional) +WDFA_N= 0.000000 (DFA, number of neighbor) +WDFA_B= 0.000000 (DFA, beta formation) + +Hydrogen-bonding correlation between contact pairs of peptide groups + +Scaling factor of 1,4 SC-p interactions: 0.400 +General scaling factor of SC-p interactions: 1.000 + +Energy-term weights (scaled): + +WSCC= 1.352790 (SC-SC) +WSCP= 1.593040 (SC-p) +WELEC= 0.715340 (p-p electr) +WVDWPP= 0.113710 (p-p VDW) +WBOND= 1.000000 (stretching) +WANG= 1.138730 (bending) +WSCLOC= 0.162580 (SC local) +WTOR= 1.985990 (torsional) +WTORD= 1.570690 (double torsional) +WSTRAIN= 1.000000 (SS bridges & dist. cnstr.) +WEL_LOC= 0.160360 (multi-body 3-rd order) +WCORR4= 0.428870 (multi-body 4th order) +WCORR5= 0.000000 (multi-body 5th order) +WCORR6= 0.000000 (multi-body 6th order) +WSCCOR= 0.000000 (back-scloc correlatkion) +WTURN3= 1.687220 (turns, 3rd order) +WTURN4= 0.662300 (turns, 4th order) +WTURN6= 0.000000 (turns, 6th order) +WDFA_D= 0.000000 (DFA, distance) +WDFA_T= 0.000000 (DFA, torsional) +WDFA_N= 0.000000 (DFA, number of neighbor) +WDFA_B= 0.000000 (DFA, beta formation) + Reference temperature for weights calculation: 300.000000000000 + Parameters of the SS-bond potential: + D0CM 3.78000000000000 AKCM 15.1000000000000 AKTH + 11.0000000000000 AKCT 12.0000000000000 + V1SS -1.08000000000000 V2SS 7.61000000000000 V3SS + 13.7000000000000 + EBR -5.50000000000000 + ITEL + 1 21 0 + 2 14 1 + 3 5 1 + 4 8 1 + 5 4 1 + 6 13 1 + 7 7 1 + 8 5 1 + 9 19 1 + 10 16 1 + 11 10 1 + 12 10 2 + 13 20 1 + 14 12 1 + 15 12 1 + 16 10 1 + 17 18 2 + 18 20 2 + 19 20 2 + 20 20 1 + 21 12 0 + ns= 0 iss: + There are 22 constraints on phi angles. + 1 0.000 180.000 + 2 0.000 180.000 + 3 0.000 180.000 + 4 0.000 180.000 + 5 0.000 180.000 + 6 0.000 180.000 + 7 45.000 5.000 + 8 45.000 5.000 + 9 45.000 5.000 + 10 45.000 5.000 + 11 45.000 5.000 + 12 45.000 5.000 + 13 0.000 180.000 + 14 0.000 180.000 + 15 0.000 180.000 + 16 0.000 180.000 + 17 0.000 180.000 + 18 0.000 180.000 + 19 0.000 180.000 + 20 0.000 180.000 + 21 0.000 180.000 + 22 0.000 180.000 + FTORS 0.000000000000000E+000 + NZ_START= 2 NZ_END= 21 + IZ_SC= 0 + +Geometry of the virtual chain. + Res d Theta Gamma Dsc Alpha Beta +D 1 0.000 0.000 0.000 0.000 0.000 0.000 +ASN 2 3.800 0.000 0.000 1.684 0.000 0.000 +LEU 3 3.800 0.000 0.000 1.939 0.000 0.000 +TYR 4 3.800 0.000 0.000 2.484 0.000 0.000 +ILE 5 3.800 0.000 0.000 1.776 0.000 0.000 +GLN 6 3.800 0.000 0.000 2.240 0.000 0.000 +TRP 7 3.800 0.000 0.000 2.605 0.000 0.000 +LEU 8 3.800 0.000 0.000 1.939 0.000 0.000 +LYS 9 3.800 0.000 0.000 2.541 0.000 0.000 +ASP 10 3.800 0.000 0.000 1.709 0.000 0.000 +GLY 11 3.800 0.000 0.000 0.000 0.000 0.000 +GLY 12 3.800 0.000 0.000 0.000 0.000 0.000 +PRO 13 3.800 0.000 0.000 1.345 0.000 0.000 +SER 14 3.800 0.000 0.000 1.150 0.000 0.000 +SER 15 3.800 0.000 0.000 1.150 0.000 0.000 +GLY 16 3.800 0.000 0.000 0.000 0.000 0.000 +ARG 17 3.800 0.000 0.000 3.020 0.000 0.000 +PRO 18 3.800 0.000 0.000 1.345 0.000 0.000 +PRO 19 3.800 0.000 0.000 1.345 0.000 0.000 +PRO 20 3.800 0.000 0.000 1.345 0.000 0.000 +SER 21 3.800 0.000 0.000 1.150 0.000 0.000 +D 22 3.800 0.000 0.000 0.000 0.000 0.000 + + +******************************************************************************** + Processor 16: end reading molecular data. +******************************************************************************** + + +CSA calculations calculation. + +Conformations will be energy-minimized. +******************************************************************************** + +Waiting for 0.1367 sec +Waiting for 0.1797 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0156 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec + Finishing minim_jlee - signal 0 from master +Waiting for 0.6055 sec +Waiting for 0.0000 sec +Waiting for 0.0078 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.4648 sec +Waiting for 0.0000 sec +Waiting for 0.0195 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0391 sec +Waiting for 0.5156 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2734 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.4219 sec +Waiting for 0.0000 sec +Waiting for 0.0352 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3398 sec +Waiting for 0.0000 sec +Waiting for 0.0391 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.4883 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2852 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0273 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0312 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.3320 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0273 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.5078 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3164 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.5156 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2812 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0508 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.4922 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0352 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3242 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0430 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.3750 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3242 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.4141 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2969 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3477 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.4570 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.5703 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0312 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3594 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0469 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.6367 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0117 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.5625 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.5898 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0078 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 2.5898 sec +Waiting for 0.3633 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 2.3867 sec +Waiting for 0.0000 sec +Waiting for 0.3516 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3008 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 1.1094 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3516 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 1.1172 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.7852 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.5352 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 1.3164 sec +Waiting for 0.0000 sec +Waiting for 0.0391 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.1953 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3594 sec +Waiting for 0.0195 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3477 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 1.1094 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3125 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3047 sec +Waiting for 0.0156 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.3477 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3516 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.5156 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2969 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.4219 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.6094 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 1.2617 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2109 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.5273 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3984 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.5469 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 1.0977 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0039 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3242 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3320 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3867 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3984 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3516 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3906 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3516 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3008 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2930 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 1.0117 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3867 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3047 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3398 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.5156 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.4141 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.6289 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3281 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3320 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.5156 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3398 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3086 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.4023 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3281 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3984 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3672 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.5000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3086 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.4688 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.6914 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.7031 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 1.2148 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.5273 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 1.3203 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0078 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.9570 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.6602 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.5898 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.4805 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3711 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2773 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3945 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.3633 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0234 sec +Waiting for 0.3516 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3320 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.4844 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3086 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0078 sec +Waiting for 0.3711 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3633 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.4336 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2344 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.4453 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3633 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.5586 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3047 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.6172 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.6055 sec + Finishing minim_jlee - signal 0 from master + End of minim, proc 16 time 220.957031250000 +CG processor 16 is finishing work. + Total wall clock time 224.515625000000 sec diff --git a/examples/unres/CSA/GAB/CSA/global/restrained/1l2y_csa.out_GB017 b/examples/unres/CSA/GAB/CSA/global/restrained/1l2y_csa.out_GB017 new file mode 100644 index 0000000..cb4acb2 --- /dev/null +++ b/examples/unres/CSA/GAB/CSA/global/restrained/1l2y_csa.out_GB017 @@ -0,0 +1,1839 @@ +******************************************************************************** +United-residue force field calculation - parallel job. +******************************************************************************** + MPI: node= 17 iseed= -55075373 + ran_num 0.927542296830648 +RMSDBC = 3.0 +RMSDBC1 = 0.5 +RMSDBC1MAX = 1.5 +DRMS = 0.1 +RMSDBCM = 3.0 +Time limit (min): 960.0 + RESCALE_MODE 0 +Library routine used to diagonalize matrices. + +******************************************************************************** + Options in energy minimization: +******************************************************************************** +MaxMin: 3000 MaxFun: 1000MinMin: 3000 MinFun: 3000 TolF: 1.00000E-02 RTolF: 1.00000E-04 + NCONF_IN 0 + +Energy-term weights (unscaled): + +WSCC= 1.352790 (SC-SC) +WSCP= 1.593040 (SC-p) +WELEC= 0.715340 (p-p electr) +WVDWPP= 0.113710 (p-p VDW) +WBOND= 1.000000 (stretching) +WANG= 1.138730 (bending) +WSCLOC= 0.162580 (SC local) +WTOR= 1.985990 (torsional) +WTORD= 1.570690 (double torsional) +WSTRAIN= 1.000000 (SS bridges & dist. cnstr.) +WEL_LOC= 0.160360 (multi-body 3-rd order) +WCORR4= 0.428870 (multi-body 4th order) +WCORR5= 0.000000 (multi-body 5th order) +WCORR6= 0.000000 (multi-body 6th order) +WSCCOR= 0.000000 (back-scloc correlation) +WTURN3= 1.687220 (turns, 3rd order) +WTURN4= 0.662300 (turns, 4th order) +WTURN6= 0.000000 (turns, 6th order) +WDFA_D= 0.000000 (DFA, distance) +WDFA_T= 0.000000 (DFA, torsional) +WDFA_N= 0.000000 (DFA, number of neighbor) +WDFA_B= 0.000000 (DFA, beta formation) + +Hydrogen-bonding correlation between contact pairs of peptide groups + +Scaling factor of 1,4 SC-p interactions: 0.400 +General scaling factor of SC-p interactions: 1.000 + +Energy-term weights (scaled): + +WSCC= 1.352790 (SC-SC) +WSCP= 1.593040 (SC-p) +WELEC= 0.715340 (p-p electr) +WVDWPP= 0.113710 (p-p VDW) +WBOND= 1.000000 (stretching) +WANG= 1.138730 (bending) +WSCLOC= 0.162580 (SC local) +WTOR= 1.985990 (torsional) +WTORD= 1.570690 (double torsional) +WSTRAIN= 1.000000 (SS bridges & dist. cnstr.) +WEL_LOC= 0.160360 (multi-body 3-rd order) +WCORR4= 0.428870 (multi-body 4th order) +WCORR5= 0.000000 (multi-body 5th order) +WCORR6= 0.000000 (multi-body 6th order) +WSCCOR= 0.000000 (back-scloc correlatkion) +WTURN3= 1.687220 (turns, 3rd order) +WTURN4= 0.662300 (turns, 4th order) +WTURN6= 0.000000 (turns, 6th order) +WDFA_D= 0.000000 (DFA, distance) +WDFA_T= 0.000000 (DFA, torsional) +WDFA_N= 0.000000 (DFA, number of neighbor) +WDFA_B= 0.000000 (DFA, beta formation) + Reference temperature for weights calculation: 300.000000000000 + Parameters of the SS-bond potential: + D0CM 3.78000000000000 AKCM 15.1000000000000 AKTH + 11.0000000000000 AKCT 12.0000000000000 + V1SS -1.08000000000000 V2SS 7.61000000000000 V3SS + 13.7000000000000 + EBR -5.50000000000000 + ITEL + 1 21 0 + 2 14 1 + 3 5 1 + 4 8 1 + 5 4 1 + 6 13 1 + 7 7 1 + 8 5 1 + 9 19 1 + 10 16 1 + 11 10 1 + 12 10 2 + 13 20 1 + 14 12 1 + 15 12 1 + 16 10 1 + 17 18 2 + 18 20 2 + 19 20 2 + 20 20 1 + 21 12 0 + ns= 0 iss: + There are 22 constraints on phi angles. + 1 0.000 180.000 + 2 0.000 180.000 + 3 0.000 180.000 + 4 0.000 180.000 + 5 0.000 180.000 + 6 0.000 180.000 + 7 45.000 5.000 + 8 45.000 5.000 + 9 45.000 5.000 + 10 45.000 5.000 + 11 45.000 5.000 + 12 45.000 5.000 + 13 0.000 180.000 + 14 0.000 180.000 + 15 0.000 180.000 + 16 0.000 180.000 + 17 0.000 180.000 + 18 0.000 180.000 + 19 0.000 180.000 + 20 0.000 180.000 + 21 0.000 180.000 + 22 0.000 180.000 + FTORS 0.000000000000000E+000 + NZ_START= 2 NZ_END= 21 + IZ_SC= 0 + +Geometry of the virtual chain. + Res d Theta Gamma Dsc Alpha Beta +D 1 0.000 0.000 0.000 0.000 0.000 0.000 +ASN 2 3.800 0.000 0.000 1.684 0.000 0.000 +LEU 3 3.800 0.000 0.000 1.939 0.000 0.000 +TYR 4 3.800 0.000 0.000 2.484 0.000 0.000 +ILE 5 3.800 0.000 0.000 1.776 0.000 0.000 +GLN 6 3.800 0.000 0.000 2.240 0.000 0.000 +TRP 7 3.800 0.000 0.000 2.605 0.000 0.000 +LEU 8 3.800 0.000 0.000 1.939 0.000 0.000 +LYS 9 3.800 0.000 0.000 2.541 0.000 0.000 +ASP 10 3.800 0.000 0.000 1.709 0.000 0.000 +GLY 11 3.800 0.000 0.000 0.000 0.000 0.000 +GLY 12 3.800 0.000 0.000 0.000 0.000 0.000 +PRO 13 3.800 0.000 0.000 1.345 0.000 0.000 +SER 14 3.800 0.000 0.000 1.150 0.000 0.000 +SER 15 3.800 0.000 0.000 1.150 0.000 0.000 +GLY 16 3.800 0.000 0.000 0.000 0.000 0.000 +ARG 17 3.800 0.000 0.000 3.020 0.000 0.000 +PRO 18 3.800 0.000 0.000 1.345 0.000 0.000 +PRO 19 3.800 0.000 0.000 1.345 0.000 0.000 +PRO 20 3.800 0.000 0.000 1.345 0.000 0.000 +SER 21 3.800 0.000 0.000 1.150 0.000 0.000 +D 22 3.800 0.000 0.000 0.000 0.000 0.000 + + +******************************************************************************** + Processor 17: end reading molecular data. +******************************************************************************** + + +CSA calculations calculation. + +Conformations will be energy-minimized. +******************************************************************************** + +Waiting for 0.1367 sec +Waiting for 0.1523 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec + Finishing minim_jlee - signal 0 from master +Waiting for 0.6055 sec +Waiting for 0.0273 sec +Waiting for 0.0312 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.4805 sec +Waiting for 0.0547 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0430 sec +Waiting for 0.4336 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2812 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0430 sec +Waiting for 0.0000 sec +Waiting for 0.4922 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3203 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.4688 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2812 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0312 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3086 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.4844 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2578 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0117 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.5156 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3203 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.4883 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0391 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3516 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0156 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3789 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2305 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.4062 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2969 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3398 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.4531 sec +Waiting for 0.0391 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.5820 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3555 sec +Waiting for 0.0000 sec +Waiting for 0.0586 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.6367 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.5586 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.6289 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 2.5820 sec +Waiting for 0.0000 sec +Waiting for 0.3945 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 2.4141 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3086 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3594 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 1.1758 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3359 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 1.1289 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.7852 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.5469 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 1.2656 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2227 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3672 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2578 sec +Waiting for 0.0000 sec +Waiting for 0.0078 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 1.1914 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3047 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2969 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3398 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3633 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.5039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3711 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.4180 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec 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0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3203 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2930 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec 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0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.4688 sec + Finishing minim_jlee - signal 0 from master + End of minim, proc 17 time 220.957031250000 +CG processor 17 is finishing work. + Total wall clock time 224.519531250000 sec diff --git a/examples/unres/CSA/GAB/CSA/global/restrained/1l2y_csa.out_GB018 b/examples/unres/CSA/GAB/CSA/global/restrained/1l2y_csa.out_GB018 new file mode 100644 index 0000000..9a8ae59 --- /dev/null +++ b/examples/unres/CSA/GAB/CSA/global/restrained/1l2y_csa.out_GB018 @@ -0,0 +1,1826 @@ +******************************************************************************** +United-residue force field calculation - parallel job. +******************************************************************************** + MPI: node= 18 iseed= -58135116 + ran_num 0.201294542683428 +RMSDBC = 3.0 +RMSDBC1 = 0.5 +RMSDBC1MAX = 1.5 +DRMS = 0.1 +RMSDBCM = 3.0 +Time limit (min): 960.0 + RESCALE_MODE 0 +Library routine used to diagonalize matrices. + +******************************************************************************** + Options in energy minimization: +******************************************************************************** +MaxMin: 3000 MaxFun: 1000MinMin: 3000 MinFun: 3000 TolF: 1.00000E-02 RTolF: 1.00000E-04 + NCONF_IN 0 + +Energy-term weights (unscaled): + +WSCC= 1.352790 (SC-SC) +WSCP= 1.593040 (SC-p) +WELEC= 0.715340 (p-p electr) +WVDWPP= 0.113710 (p-p VDW) +WBOND= 1.000000 (stretching) +WANG= 1.138730 (bending) +WSCLOC= 0.162580 (SC local) +WTOR= 1.985990 (torsional) +WTORD= 1.570690 (double torsional) +WSTRAIN= 1.000000 (SS bridges & dist. cnstr.) +WEL_LOC= 0.160360 (multi-body 3-rd order) +WCORR4= 0.428870 (multi-body 4th order) +WCORR5= 0.000000 (multi-body 5th order) +WCORR6= 0.000000 (multi-body 6th order) +WSCCOR= 0.000000 (back-scloc correlation) +WTURN3= 1.687220 (turns, 3rd order) +WTURN4= 0.662300 (turns, 4th order) +WTURN6= 0.000000 (turns, 6th order) +WDFA_D= 0.000000 (DFA, distance) +WDFA_T= 0.000000 (DFA, torsional) +WDFA_N= 0.000000 (DFA, number of neighbor) +WDFA_B= 0.000000 (DFA, beta formation) + +Hydrogen-bonding correlation between contact pairs of peptide groups + +Scaling factor of 1,4 SC-p interactions: 0.400 +General scaling factor of SC-p interactions: 1.000 + +Energy-term weights (scaled): + +WSCC= 1.352790 (SC-SC) +WSCP= 1.593040 (SC-p) +WELEC= 0.715340 (p-p electr) +WVDWPP= 0.113710 (p-p VDW) +WBOND= 1.000000 (stretching) +WANG= 1.138730 (bending) +WSCLOC= 0.162580 (SC local) +WTOR= 1.985990 (torsional) +WTORD= 1.570690 (double torsional) +WSTRAIN= 1.000000 (SS bridges & dist. cnstr.) +WEL_LOC= 0.160360 (multi-body 3-rd order) +WCORR4= 0.428870 (multi-body 4th order) +WCORR5= 0.000000 (multi-body 5th order) +WCORR6= 0.000000 (multi-body 6th order) +WSCCOR= 0.000000 (back-scloc correlatkion) +WTURN3= 1.687220 (turns, 3rd order) +WTURN4= 0.662300 (turns, 4th order) +WTURN6= 0.000000 (turns, 6th order) +WDFA_D= 0.000000 (DFA, distance) +WDFA_T= 0.000000 (DFA, torsional) +WDFA_N= 0.000000 (DFA, number of neighbor) +WDFA_B= 0.000000 (DFA, beta formation) + Reference temperature for weights calculation: 300.000000000000 + Parameters of the SS-bond potential: + D0CM 3.78000000000000 AKCM 15.1000000000000 AKTH + 11.0000000000000 AKCT 12.0000000000000 + V1SS -1.08000000000000 V2SS 7.61000000000000 V3SS + 13.7000000000000 + EBR -5.50000000000000 + ITEL + 1 21 0 + 2 14 1 + 3 5 1 + 4 8 1 + 5 4 1 + 6 13 1 + 7 7 1 + 8 5 1 + 9 19 1 + 10 16 1 + 11 10 1 + 12 10 2 + 13 20 1 + 14 12 1 + 15 12 1 + 16 10 1 + 17 18 2 + 18 20 2 + 19 20 2 + 20 20 1 + 21 12 0 + ns= 0 iss: + There are 22 constraints on phi angles. + 1 0.000 180.000 + 2 0.000 180.000 + 3 0.000 180.000 + 4 0.000 180.000 + 5 0.000 180.000 + 6 0.000 180.000 + 7 45.000 5.000 + 8 45.000 5.000 + 9 45.000 5.000 + 10 45.000 5.000 + 11 45.000 5.000 + 12 45.000 5.000 + 13 0.000 180.000 + 14 0.000 180.000 + 15 0.000 180.000 + 16 0.000 180.000 + 17 0.000 180.000 + 18 0.000 180.000 + 19 0.000 180.000 + 20 0.000 180.000 + 21 0.000 180.000 + 22 0.000 180.000 + FTORS 0.000000000000000E+000 + NZ_START= 2 NZ_END= 21 + IZ_SC= 0 + +Geometry of the virtual chain. + Res d Theta Gamma Dsc Alpha Beta +D 1 0.000 0.000 0.000 0.000 0.000 0.000 +ASN 2 3.800 0.000 0.000 1.684 0.000 0.000 +LEU 3 3.800 0.000 0.000 1.939 0.000 0.000 +TYR 4 3.800 0.000 0.000 2.484 0.000 0.000 +ILE 5 3.800 0.000 0.000 1.776 0.000 0.000 +GLN 6 3.800 0.000 0.000 2.240 0.000 0.000 +TRP 7 3.800 0.000 0.000 2.605 0.000 0.000 +LEU 8 3.800 0.000 0.000 1.939 0.000 0.000 +LYS 9 3.800 0.000 0.000 2.541 0.000 0.000 +ASP 10 3.800 0.000 0.000 1.709 0.000 0.000 +GLY 11 3.800 0.000 0.000 0.000 0.000 0.000 +GLY 12 3.800 0.000 0.000 0.000 0.000 0.000 +PRO 13 3.800 0.000 0.000 1.345 0.000 0.000 +SER 14 3.800 0.000 0.000 1.150 0.000 0.000 +SER 15 3.800 0.000 0.000 1.150 0.000 0.000 +GLY 16 3.800 0.000 0.000 0.000 0.000 0.000 +ARG 17 3.800 0.000 0.000 3.020 0.000 0.000 +PRO 18 3.800 0.000 0.000 1.345 0.000 0.000 +PRO 19 3.800 0.000 0.000 1.345 0.000 0.000 +PRO 20 3.800 0.000 0.000 1.345 0.000 0.000 +SER 21 3.800 0.000 0.000 1.150 0.000 0.000 +D 22 3.800 0.000 0.000 0.000 0.000 0.000 + + +******************************************************************************** + Processor 18: end reading molecular data. +******************************************************************************** + + +CSA calculations calculation. + +Conformations will be energy-minimized. +******************************************************************************** + +Waiting for 0.1484 sec +Waiting for 0.1641 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0078 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0547 sec + Finishing minim_jlee - signal 0 from master +Waiting for 0.6094 sec +Waiting for 0.0000 sec +Waiting for 0.0430 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0391 sec +Waiting for 0.0000 sec +Waiting for 0.0352 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.4570 sec +Waiting for 0.0000 sec +Waiting for 0.0156 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.5000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2891 sec +Waiting for 0.0000 sec +Waiting for 0.0234 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.4805 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0195 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3281 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.4883 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3164 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2461 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0469 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.5039 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3008 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0508 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.4961 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0078 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.3320 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.4023 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2891 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0352 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3984 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3086 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.4297 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.3047 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3633 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.4570 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.5859 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3711 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.6445 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0977 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.5703 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.5312 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 2.5078 sec +Waiting for 0.2734 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 2.4141 sec +Waiting for 0.0000 sec +Waiting for 0.3789 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3555 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 1.1328 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2812 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 1.1914 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.7422 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.5469 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 1.2578 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3125 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3789 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3516 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec 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0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0078 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.4961 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3438 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3711 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3672 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.4219 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3008 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.4648 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3672 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.5703 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.3203 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.6406 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.6445 sec + Finishing minim_jlee - signal 0 from master + End of minim, proc 18 time 220.957031250000 +CG processor 18 is finishing work. + Total wall clock time 224.519531250000 sec diff --git a/examples/unres/CSA/GAB/CSA/global/restrained/1l2y_csa.out_GB019 b/examples/unres/CSA/GAB/CSA/global/restrained/1l2y_csa.out_GB019 new file mode 100644 index 0000000..9820220 --- /dev/null +++ b/examples/unres/CSA/GAB/CSA/global/restrained/1l2y_csa.out_GB019 @@ -0,0 +1,1810 @@ +******************************************************************************** +United-residue force field calculation - parallel job. +******************************************************************************** + MPI: node= 19 iseed= -61194859 + ran_num 0.475046788536207 +RMSDBC = 3.0 +RMSDBC1 = 0.5 +RMSDBC1MAX = 1.5 +DRMS = 0.1 +RMSDBCM = 3.0 +Time limit (min): 960.0 + RESCALE_MODE 0 +Library routine used to diagonalize matrices. + +******************************************************************************** + Options in energy minimization: +******************************************************************************** +MaxMin: 3000 MaxFun: 1000MinMin: 3000 MinFun: 3000 TolF: 1.00000E-02 RTolF: 1.00000E-04 + NCONF_IN 0 + +Energy-term weights (unscaled): + +WSCC= 1.352790 (SC-SC) +WSCP= 1.593040 (SC-p) +WELEC= 0.715340 (p-p electr) +WVDWPP= 0.113710 (p-p VDW) +WBOND= 1.000000 (stretching) +WANG= 1.138730 (bending) +WSCLOC= 0.162580 (SC local) +WTOR= 1.985990 (torsional) +WTORD= 1.570690 (double torsional) +WSTRAIN= 1.000000 (SS bridges & dist. cnstr.) +WEL_LOC= 0.160360 (multi-body 3-rd order) +WCORR4= 0.428870 (multi-body 4th order) +WCORR5= 0.000000 (multi-body 5th order) +WCORR6= 0.000000 (multi-body 6th order) +WSCCOR= 0.000000 (back-scloc correlation) +WTURN3= 1.687220 (turns, 3rd order) +WTURN4= 0.662300 (turns, 4th order) +WTURN6= 0.000000 (turns, 6th order) +WDFA_D= 0.000000 (DFA, distance) +WDFA_T= 0.000000 (DFA, torsional) +WDFA_N= 0.000000 (DFA, number of neighbor) +WDFA_B= 0.000000 (DFA, beta formation) + +Hydrogen-bonding correlation between contact pairs of peptide groups + +Scaling factor of 1,4 SC-p interactions: 0.400 +General scaling factor of SC-p interactions: 1.000 + +Energy-term weights (scaled): + +WSCC= 1.352790 (SC-SC) +WSCP= 1.593040 (SC-p) +WELEC= 0.715340 (p-p electr) +WVDWPP= 0.113710 (p-p VDW) +WBOND= 1.000000 (stretching) +WANG= 1.138730 (bending) +WSCLOC= 0.162580 (SC local) +WTOR= 1.985990 (torsional) +WTORD= 1.570690 (double torsional) +WSTRAIN= 1.000000 (SS bridges & dist. cnstr.) +WEL_LOC= 0.160360 (multi-body 3-rd order) +WCORR4= 0.428870 (multi-body 4th order) +WCORR5= 0.000000 (multi-body 5th order) +WCORR6= 0.000000 (multi-body 6th order) +WSCCOR= 0.000000 (back-scloc correlatkion) +WTURN3= 1.687220 (turns, 3rd order) +WTURN4= 0.662300 (turns, 4th order) +WTURN6= 0.000000 (turns, 6th order) +WDFA_D= 0.000000 (DFA, distance) +WDFA_T= 0.000000 (DFA, torsional) +WDFA_N= 0.000000 (DFA, number of neighbor) +WDFA_B= 0.000000 (DFA, beta formation) + Reference temperature for weights calculation: 300.000000000000 + Parameters of the SS-bond potential: + D0CM 3.78000000000000 AKCM 15.1000000000000 AKTH + 11.0000000000000 AKCT 12.0000000000000 + V1SS -1.08000000000000 V2SS 7.61000000000000 V3SS + 13.7000000000000 + EBR -5.50000000000000 + ITEL + 1 21 0 + 2 14 1 + 3 5 1 + 4 8 1 + 5 4 1 + 6 13 1 + 7 7 1 + 8 5 1 + 9 19 1 + 10 16 1 + 11 10 1 + 12 10 2 + 13 20 1 + 14 12 1 + 15 12 1 + 16 10 1 + 17 18 2 + 18 20 2 + 19 20 2 + 20 20 1 + 21 12 0 + ns= 0 iss: + There are 22 constraints on phi angles. + 1 0.000 180.000 + 2 0.000 180.000 + 3 0.000 180.000 + 4 0.000 180.000 + 5 0.000 180.000 + 6 0.000 180.000 + 7 45.000 5.000 + 8 45.000 5.000 + 9 45.000 5.000 + 10 45.000 5.000 + 11 45.000 5.000 + 12 45.000 5.000 + 13 0.000 180.000 + 14 0.000 180.000 + 15 0.000 180.000 + 16 0.000 180.000 + 17 0.000 180.000 + 18 0.000 180.000 + 19 0.000 180.000 + 20 0.000 180.000 + 21 0.000 180.000 + 22 0.000 180.000 + FTORS 0.000000000000000E+000 + NZ_START= 2 NZ_END= 21 + IZ_SC= 0 + +Geometry of the virtual chain. + Res d Theta Gamma Dsc Alpha Beta +D 1 0.000 0.000 0.000 0.000 0.000 0.000 +ASN 2 3.800 0.000 0.000 1.684 0.000 0.000 +LEU 3 3.800 0.000 0.000 1.939 0.000 0.000 +TYR 4 3.800 0.000 0.000 2.484 0.000 0.000 +ILE 5 3.800 0.000 0.000 1.776 0.000 0.000 +GLN 6 3.800 0.000 0.000 2.240 0.000 0.000 +TRP 7 3.800 0.000 0.000 2.605 0.000 0.000 +LEU 8 3.800 0.000 0.000 1.939 0.000 0.000 +LYS 9 3.800 0.000 0.000 2.541 0.000 0.000 +ASP 10 3.800 0.000 0.000 1.709 0.000 0.000 +GLY 11 3.800 0.000 0.000 0.000 0.000 0.000 +GLY 12 3.800 0.000 0.000 0.000 0.000 0.000 +PRO 13 3.800 0.000 0.000 1.345 0.000 0.000 +SER 14 3.800 0.000 0.000 1.150 0.000 0.000 +SER 15 3.800 0.000 0.000 1.150 0.000 0.000 +GLY 16 3.800 0.000 0.000 0.000 0.000 0.000 +ARG 17 3.800 0.000 0.000 3.020 0.000 0.000 +PRO 18 3.800 0.000 0.000 1.345 0.000 0.000 +PRO 19 3.800 0.000 0.000 1.345 0.000 0.000 +PRO 20 3.800 0.000 0.000 1.345 0.000 0.000 +SER 21 3.800 0.000 0.000 1.150 0.000 0.000 +D 22 3.800 0.000 0.000 0.000 0.000 0.000 + + +******************************************************************************** + Processor 19: end reading molecular data. +******************************************************************************** + + +CSA calculations calculation. + +Conformations will be energy-minimized. +******************************************************************************** + +Waiting for 0.1367 sec +Waiting for 0.0000 sec +Waiting for 0.0469 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec + Finishing minim_jlee - signal 0 from master +Waiting for 0.6055 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0156 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0078 sec +Waiting for 0.0000 sec +Waiting for 0.0117 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.4844 sec +Waiting for 0.0312 sec +Waiting for 0.0000 sec +Waiting for 0.0117 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.4961 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.3164 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.4961 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3359 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.4297 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2891 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0469 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0117 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3477 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.5000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3008 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0742 sec +Waiting for 0.0000 sec +Waiting for 0.5156 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3086 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.5000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3477 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0117 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3594 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3203 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.4531 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2930 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3477 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.4258 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.6016 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0117 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3477 sec +Waiting for 0.0000 sec +Waiting for 0.0273 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.6680 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.1055 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.5547 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.6055 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 2.5859 sec +Waiting for 0.0000 sec +Waiting for 0.2578 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 2.3633 sec +Waiting for 0.0000 sec +Waiting for 0.3555 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2969 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec 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0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.7578 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.5312 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 1.3320 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec 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0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3945 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3281 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2578 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3242 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.4961 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3359 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2852 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3555 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.4180 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3008 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3398 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3203 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.5078 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.1992 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.6523 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.5664 sec + Finishing minim_jlee - signal 0 from master + End of minim, proc 19 time 220.960937500000 +CG processor 19 is finishing work. + Total wall clock time 224.515625000000 sec diff --git a/examples/unres/CSA/GAB/CSA/global/restrained/1l2y_csa.out_GB020 b/examples/unres/CSA/GAB/CSA/global/restrained/1l2y_csa.out_GB020 new file mode 100644 index 0000000..fbc8da9 --- /dev/null +++ b/examples/unres/CSA/GAB/CSA/global/restrained/1l2y_csa.out_GB020 @@ -0,0 +1,1254 @@ +******************************************************************************** +United-residue force field calculation - parallel job. +******************************************************************************** + MPI: node= 20 iseed= -64254602 + ran_num 0.748799034388987 +RMSDBC = 3.0 +RMSDBC1 = 0.5 +RMSDBC1MAX = 1.5 +DRMS = 0.1 +RMSDBCM = 3.0 +Time limit (min): 960.0 + RESCALE_MODE 0 +Library routine used to diagonalize matrices. + +******************************************************************************** + Options in energy minimization: +******************************************************************************** +MaxMin: 3000 MaxFun: 1000MinMin: 3000 MinFun: 3000 TolF: 1.00000E-02 RTolF: 1.00000E-04 + NCONF_IN 0 + +Energy-term weights (unscaled): + +WSCC= 1.352790 (SC-SC) +WSCP= 1.593040 (SC-p) +WELEC= 0.715340 (p-p electr) +WVDWPP= 0.113710 (p-p VDW) +WBOND= 1.000000 (stretching) +WANG= 1.138730 (bending) +WSCLOC= 0.162580 (SC local) +WTOR= 1.985990 (torsional) +WTORD= 1.570690 (double torsional) +WSTRAIN= 1.000000 (SS bridges & dist. cnstr.) +WEL_LOC= 0.160360 (multi-body 3-rd order) +WCORR4= 0.428870 (multi-body 4th order) +WCORR5= 0.000000 (multi-body 5th order) +WCORR6= 0.000000 (multi-body 6th order) +WSCCOR= 0.000000 (back-scloc correlation) +WTURN3= 1.687220 (turns, 3rd order) +WTURN4= 0.662300 (turns, 4th order) +WTURN6= 0.000000 (turns, 6th order) +WDFA_D= 0.000000 (DFA, distance) +WDFA_T= 0.000000 (DFA, torsional) +WDFA_N= 0.000000 (DFA, number of neighbor) +WDFA_B= 0.000000 (DFA, beta formation) + +Hydrogen-bonding correlation between contact pairs of peptide groups + +Scaling factor of 1,4 SC-p interactions: 0.400 +General scaling factor of SC-p interactions: 1.000 + +Energy-term weights (scaled): + +WSCC= 1.352790 (SC-SC) +WSCP= 1.593040 (SC-p) +WELEC= 0.715340 (p-p electr) +WVDWPP= 0.113710 (p-p VDW) +WBOND= 1.000000 (stretching) +WANG= 1.138730 (bending) +WSCLOC= 0.162580 (SC local) +WTOR= 1.985990 (torsional) +WTORD= 1.570690 (double torsional) +WSTRAIN= 1.000000 (SS bridges & dist. cnstr.) +WEL_LOC= 0.160360 (multi-body 3-rd order) +WCORR4= 0.428870 (multi-body 4th order) +WCORR5= 0.000000 (multi-body 5th order) +WCORR6= 0.000000 (multi-body 6th order) +WSCCOR= 0.000000 (back-scloc correlatkion) +WTURN3= 1.687220 (turns, 3rd order) +WTURN4= 0.662300 (turns, 4th order) +WTURN6= 0.000000 (turns, 6th order) +WDFA_D= 0.000000 (DFA, distance) +WDFA_T= 0.000000 (DFA, torsional) +WDFA_N= 0.000000 (DFA, number of neighbor) +WDFA_B= 0.000000 (DFA, beta formation) + Reference temperature for weights calculation: 300.000000000000 + Parameters of the SS-bond potential: + D0CM 3.78000000000000 AKCM 15.1000000000000 AKTH + 11.0000000000000 AKCT 12.0000000000000 + V1SS -1.08000000000000 V2SS 7.61000000000000 V3SS + 13.7000000000000 + EBR -5.50000000000000 + ITEL + 1 21 0 + 2 14 1 + 3 5 1 + 4 8 1 + 5 4 1 + 6 13 1 + 7 7 1 + 8 5 1 + 9 19 1 + 10 16 1 + 11 10 1 + 12 10 2 + 13 20 1 + 14 12 1 + 15 12 1 + 16 10 1 + 17 18 2 + 18 20 2 + 19 20 2 + 20 20 1 + 21 12 0 + ns= 0 iss: + There are 22 constraints on phi angles. + 1 0.000 180.000 + 2 0.000 180.000 + 3 0.000 180.000 + 4 0.000 180.000 + 5 0.000 180.000 + 6 0.000 180.000 + 7 45.000 5.000 + 8 45.000 5.000 + 9 45.000 5.000 + 10 45.000 5.000 + 11 45.000 5.000 + 12 45.000 5.000 + 13 0.000 180.000 + 14 0.000 180.000 + 15 0.000 180.000 + 16 0.000 180.000 + 17 0.000 180.000 + 18 0.000 180.000 + 19 0.000 180.000 + 20 0.000 180.000 + 21 0.000 180.000 + 22 0.000 180.000 + FTORS 0.000000000000000E+000 + NZ_START= 2 NZ_END= 21 + IZ_SC= 0 + +Geometry of the virtual chain. + Res d Theta Gamma Dsc Alpha Beta +D 1 0.000 0.000 0.000 0.000 0.000 0.000 +ASN 2 3.800 0.000 0.000 1.684 0.000 0.000 +LEU 3 3.800 0.000 0.000 1.939 0.000 0.000 +TYR 4 3.800 0.000 0.000 2.484 0.000 0.000 +ILE 5 3.800 0.000 0.000 1.776 0.000 0.000 +GLN 6 3.800 0.000 0.000 2.240 0.000 0.000 +TRP 7 3.800 0.000 0.000 2.605 0.000 0.000 +LEU 8 3.800 0.000 0.000 1.939 0.000 0.000 +LYS 9 3.800 0.000 0.000 2.541 0.000 0.000 +ASP 10 3.800 0.000 0.000 1.709 0.000 0.000 +GLY 11 3.800 0.000 0.000 0.000 0.000 0.000 +GLY 12 3.800 0.000 0.000 0.000 0.000 0.000 +PRO 13 3.800 0.000 0.000 1.345 0.000 0.000 +SER 14 3.800 0.000 0.000 1.150 0.000 0.000 +SER 15 3.800 0.000 0.000 1.150 0.000 0.000 +GLY 16 3.800 0.000 0.000 0.000 0.000 0.000 +ARG 17 3.800 0.000 0.000 3.020 0.000 0.000 +PRO 18 3.800 0.000 0.000 1.345 0.000 0.000 +PRO 19 3.800 0.000 0.000 1.345 0.000 0.000 +PRO 20 3.800 0.000 0.000 1.345 0.000 0.000 +SER 21 3.800 0.000 0.000 1.150 0.000 0.000 +D 22 3.800 0.000 0.000 0.000 0.000 0.000 + + +******************************************************************************** + Processor 20: end reading molecular data. +******************************************************************************** + + +CSA calculations calculation. + +Conformations will be energy-minimized. +******************************************************************************** + +Waiting for 0.1328 sec +Waiting for 0.1016 sec +Waiting for 0.0000 sec +Waiting for 0.0625 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec + Finishing minim_jlee - signal 0 from master +Waiting for 0.6055 sec +Waiting for 0.0078 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.4766 sec +Waiting for 0.0000 sec +Waiting for 0.0234 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.5078 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.2109 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.4922 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2812 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.4570 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2461 sec +Waiting for 0.0000 sec +Waiting for 0.0195 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.1680 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.4961 sec +Waiting for 0.0078 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3008 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.4141 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2891 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.4648 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0273 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2930 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0391 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.4023 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3320 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.4219 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2773 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3320 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3438 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.5508 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3516 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.6406 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0586 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.5156 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.5742 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 2.5820 sec +Waiting for 0.2695 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 2.3711 sec +Waiting for 0.0000 sec +Waiting for 0.1016 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3281 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 1.1875 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3242 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 1.1758 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.7617 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.4727 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 1.3086 sec +Waiting for 0.0391 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3086 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3086 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0508 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3633 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 1.2031 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2305 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2617 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.1992 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.1641 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.4141 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3750 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3789 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.5938 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 1.2148 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.1406 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.5117 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3789 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.5078 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 1.0469 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3594 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2812 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3750 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3477 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3203 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3984 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2617 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3477 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3594 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 1.0273 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.4258 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3320 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3555 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.4727 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.4219 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.7266 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.2930 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3047 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.5078 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3281 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3008 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.4062 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3203 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2617 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3906 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.5312 sec +Waiting for 0.0078 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3672 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.5039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.6836 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.5820 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 1.1797 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.4766 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 1.4258 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.9766 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.6250 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3672 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.4180 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3867 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2695 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2969 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2227 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3203 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3203 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.4492 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2930 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0078 sec +Waiting for 0.0000 sec +Waiting for 0.3789 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.1562 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3828 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2734 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3867 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3281 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.5742 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.1992 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.6250 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.5391 sec + Finishing minim_jlee - signal 0 from master + End of minim, proc 20 time 220.980468750000 +CG processor 20 is finishing work. + Total wall clock time 224.527343750000 sec diff --git a/examples/unres/CSA/GAB/CSA/global/restrained/1l2y_csa.out_GB021 b/examples/unres/CSA/GAB/CSA/global/restrained/1l2y_csa.out_GB021 new file mode 100644 index 0000000..eb770dc --- /dev/null +++ b/examples/unres/CSA/GAB/CSA/global/restrained/1l2y_csa.out_GB021 @@ -0,0 +1,1263 @@ +******************************************************************************** +United-residue force field calculation - parallel job. +******************************************************************************** + MPI: node= 21 iseed= -67314345 + ran_num 2.255128024176600E-002 +RMSDBC = 3.0 +RMSDBC1 = 0.5 +RMSDBC1MAX = 1.5 +DRMS = 0.1 +RMSDBCM = 3.0 +Time limit (min): 960.0 + RESCALE_MODE 0 +Library routine used to diagonalize matrices. + +******************************************************************************** + Options in energy minimization: +******************************************************************************** +MaxMin: 3000 MaxFun: 1000MinMin: 3000 MinFun: 3000 TolF: 1.00000E-02 RTolF: 1.00000E-04 + NCONF_IN 0 + +Energy-term weights (unscaled): + +WSCC= 1.352790 (SC-SC) +WSCP= 1.593040 (SC-p) +WELEC= 0.715340 (p-p electr) +WVDWPP= 0.113710 (p-p VDW) +WBOND= 1.000000 (stretching) +WANG= 1.138730 (bending) +WSCLOC= 0.162580 (SC local) +WTOR= 1.985990 (torsional) +WTORD= 1.570690 (double torsional) +WSTRAIN= 1.000000 (SS bridges & dist. cnstr.) +WEL_LOC= 0.160360 (multi-body 3-rd order) +WCORR4= 0.428870 (multi-body 4th order) +WCORR5= 0.000000 (multi-body 5th order) +WCORR6= 0.000000 (multi-body 6th order) +WSCCOR= 0.000000 (back-scloc correlation) +WTURN3= 1.687220 (turns, 3rd order) +WTURN4= 0.662300 (turns, 4th order) +WTURN6= 0.000000 (turns, 6th order) +WDFA_D= 0.000000 (DFA, distance) +WDFA_T= 0.000000 (DFA, torsional) +WDFA_N= 0.000000 (DFA, number of neighbor) +WDFA_B= 0.000000 (DFA, beta formation) + +Hydrogen-bonding correlation between contact pairs of peptide groups + +Scaling factor of 1,4 SC-p interactions: 0.400 +General scaling factor of SC-p interactions: 1.000 + +Energy-term weights (scaled): + +WSCC= 1.352790 (SC-SC) +WSCP= 1.593040 (SC-p) +WELEC= 0.715340 (p-p electr) +WVDWPP= 0.113710 (p-p VDW) +WBOND= 1.000000 (stretching) +WANG= 1.138730 (bending) +WSCLOC= 0.162580 (SC local) +WTOR= 1.985990 (torsional) +WTORD= 1.570690 (double torsional) +WSTRAIN= 1.000000 (SS bridges & dist. cnstr.) +WEL_LOC= 0.160360 (multi-body 3-rd order) +WCORR4= 0.428870 (multi-body 4th order) +WCORR5= 0.000000 (multi-body 5th order) +WCORR6= 0.000000 (multi-body 6th order) +WSCCOR= 0.000000 (back-scloc correlatkion) +WTURN3= 1.687220 (turns, 3rd order) +WTURN4= 0.662300 (turns, 4th order) +WTURN6= 0.000000 (turns, 6th order) +WDFA_D= 0.000000 (DFA, distance) +WDFA_T= 0.000000 (DFA, torsional) +WDFA_N= 0.000000 (DFA, number of neighbor) +WDFA_B= 0.000000 (DFA, beta formation) + Reference temperature for weights calculation: 300.000000000000 + Parameters of the SS-bond potential: + D0CM 3.78000000000000 AKCM 15.1000000000000 AKTH + 11.0000000000000 AKCT 12.0000000000000 + V1SS -1.08000000000000 V2SS 7.61000000000000 V3SS + 13.7000000000000 + EBR -5.50000000000000 + ITEL + 1 21 0 + 2 14 1 + 3 5 1 + 4 8 1 + 5 4 1 + 6 13 1 + 7 7 1 + 8 5 1 + 9 19 1 + 10 16 1 + 11 10 1 + 12 10 2 + 13 20 1 + 14 12 1 + 15 12 1 + 16 10 1 + 17 18 2 + 18 20 2 + 19 20 2 + 20 20 1 + 21 12 0 + ns= 0 iss: + There are 22 constraints on phi angles. + 1 0.000 180.000 + 2 0.000 180.000 + 3 0.000 180.000 + 4 0.000 180.000 + 5 0.000 180.000 + 6 0.000 180.000 + 7 45.000 5.000 + 8 45.000 5.000 + 9 45.000 5.000 + 10 45.000 5.000 + 11 45.000 5.000 + 12 45.000 5.000 + 13 0.000 180.000 + 14 0.000 180.000 + 15 0.000 180.000 + 16 0.000 180.000 + 17 0.000 180.000 + 18 0.000 180.000 + 19 0.000 180.000 + 20 0.000 180.000 + 21 0.000 180.000 + 22 0.000 180.000 + FTORS 0.000000000000000E+000 + NZ_START= 2 NZ_END= 21 + IZ_SC= 0 + +Geometry of the virtual chain. + Res d Theta Gamma Dsc Alpha Beta +D 1 0.000 0.000 0.000 0.000 0.000 0.000 +ASN 2 3.800 0.000 0.000 1.684 0.000 0.000 +LEU 3 3.800 0.000 0.000 1.939 0.000 0.000 +TYR 4 3.800 0.000 0.000 2.484 0.000 0.000 +ILE 5 3.800 0.000 0.000 1.776 0.000 0.000 +GLN 6 3.800 0.000 0.000 2.240 0.000 0.000 +TRP 7 3.800 0.000 0.000 2.605 0.000 0.000 +LEU 8 3.800 0.000 0.000 1.939 0.000 0.000 +LYS 9 3.800 0.000 0.000 2.541 0.000 0.000 +ASP 10 3.800 0.000 0.000 1.709 0.000 0.000 +GLY 11 3.800 0.000 0.000 0.000 0.000 0.000 +GLY 12 3.800 0.000 0.000 0.000 0.000 0.000 +PRO 13 3.800 0.000 0.000 1.345 0.000 0.000 +SER 14 3.800 0.000 0.000 1.150 0.000 0.000 +SER 15 3.800 0.000 0.000 1.150 0.000 0.000 +GLY 16 3.800 0.000 0.000 0.000 0.000 0.000 +ARG 17 3.800 0.000 0.000 3.020 0.000 0.000 +PRO 18 3.800 0.000 0.000 1.345 0.000 0.000 +PRO 19 3.800 0.000 0.000 1.345 0.000 0.000 +PRO 20 3.800 0.000 0.000 1.345 0.000 0.000 +SER 21 3.800 0.000 0.000 1.150 0.000 0.000 +D 22 3.800 0.000 0.000 0.000 0.000 0.000 + + +******************************************************************************** + Processor 21: end reading molecular data. +******************************************************************************** + + +CSA calculations calculation. + +Conformations will be energy-minimized. +******************************************************************************** + +Waiting for 0.1641 sec +Waiting for 0.1211 sec +Waiting for 0.0234 sec +Waiting for 0.0000 sec + Finishing minim_jlee - signal 0 from master +Waiting for 0.6094 sec +Waiting for 0.0469 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.5000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.4492 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2773 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0508 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.4062 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3438 sec +Waiting for 0.0000 sec +Waiting for 0.0273 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.4766 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2578 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2969 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.5039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3320 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.4961 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2539 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.4883 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3633 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3867 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.1836 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.4531 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2578 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3711 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.4297 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.6016 sec +Waiting for 0.0312 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3477 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.1016 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.6094 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.4727 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.5898 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 2.5508 sec +Waiting for 0.2188 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 2.3594 sec +Waiting for 0.0000 sec +Waiting for 0.2188 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2109 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 1.1445 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3281 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 1.1680 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.7617 sec +Waiting for 0.0156 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.5312 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 1.3438 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3047 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3398 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3516 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 1.1836 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3008 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2969 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3438 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2539 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.4648 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.3672 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3672 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.6719 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.1016 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 1.2383 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.1172 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.4062 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3984 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.5430 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 1.0703 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3516 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2266 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.4180 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.4102 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3359 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.4180 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.1797 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3398 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3750 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 1.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.4102 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0820 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3477 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.5117 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0078 sec +Waiting for 0.0000 sec +Waiting for 0.4258 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.7109 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2969 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3477 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.5117 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3203 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3125 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3281 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.1602 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3398 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2695 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.4688 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2148 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.5039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.7070 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.6641 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0078 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 1.1562 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.4727 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0078 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 1.4609 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.9453 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.7031 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.5586 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.5273 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3164 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3086 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3789 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3398 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3555 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.1953 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3633 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3398 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3398 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3125 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.4023 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3359 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.4062 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3125 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.5586 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2734 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.4180 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.6172 sec + Finishing minim_jlee - signal 0 from master + End of minim, proc 21 time 220.984375000000 +CG processor 21 is finishing work. + Total wall clock time 224.531250000000 sec diff --git a/examples/unres/CSA/GAB/CSA/global/restrained/1l2y_csa.out_GB022 b/examples/unres/CSA/GAB/CSA/global/restrained/1l2y_csa.out_GB022 new file mode 100644 index 0000000..b4382ce --- /dev/null +++ b/examples/unres/CSA/GAB/CSA/global/restrained/1l2y_csa.out_GB022 @@ -0,0 +1,1247 @@ +******************************************************************************** +United-residue force field calculation - parallel job. +******************************************************************************** + MPI: node= 22 iseed= -70374088 + ran_num 0.296303526094545 +RMSDBC = 3.0 +RMSDBC1 = 0.5 +RMSDBC1MAX = 1.5 +DRMS = 0.1 +RMSDBCM = 3.0 +Time limit (min): 960.0 + RESCALE_MODE 0 +Library routine used to diagonalize matrices. + +******************************************************************************** + Options in energy minimization: +******************************************************************************** +MaxMin: 3000 MaxFun: 1000MinMin: 3000 MinFun: 3000 TolF: 1.00000E-02 RTolF: 1.00000E-04 + NCONF_IN 0 + +Energy-term weights (unscaled): + +WSCC= 1.352790 (SC-SC) +WSCP= 1.593040 (SC-p) +WELEC= 0.715340 (p-p electr) +WVDWPP= 0.113710 (p-p VDW) +WBOND= 1.000000 (stretching) +WANG= 1.138730 (bending) +WSCLOC= 0.162580 (SC local) +WTOR= 1.985990 (torsional) +WTORD= 1.570690 (double torsional) +WSTRAIN= 1.000000 (SS bridges & dist. cnstr.) +WEL_LOC= 0.160360 (multi-body 3-rd order) +WCORR4= 0.428870 (multi-body 4th order) +WCORR5= 0.000000 (multi-body 5th order) +WCORR6= 0.000000 (multi-body 6th order) +WSCCOR= 0.000000 (back-scloc correlation) +WTURN3= 1.687220 (turns, 3rd order) +WTURN4= 0.662300 (turns, 4th order) +WTURN6= 0.000000 (turns, 6th order) +WDFA_D= 0.000000 (DFA, distance) +WDFA_T= 0.000000 (DFA, torsional) +WDFA_N= 0.000000 (DFA, number of neighbor) +WDFA_B= 0.000000 (DFA, beta formation) + +Hydrogen-bonding correlation between contact pairs of peptide groups + +Scaling factor of 1,4 SC-p interactions: 0.400 +General scaling factor of SC-p interactions: 1.000 + +Energy-term weights (scaled): + +WSCC= 1.352790 (SC-SC) +WSCP= 1.593040 (SC-p) +WELEC= 0.715340 (p-p electr) +WVDWPP= 0.113710 (p-p VDW) +WBOND= 1.000000 (stretching) +WANG= 1.138730 (bending) +WSCLOC= 0.162580 (SC local) +WTOR= 1.985990 (torsional) +WTORD= 1.570690 (double torsional) +WSTRAIN= 1.000000 (SS bridges & dist. cnstr.) +WEL_LOC= 0.160360 (multi-body 3-rd order) +WCORR4= 0.428870 (multi-body 4th order) +WCORR5= 0.000000 (multi-body 5th order) +WCORR6= 0.000000 (multi-body 6th order) +WSCCOR= 0.000000 (back-scloc correlatkion) +WTURN3= 1.687220 (turns, 3rd order) +WTURN4= 0.662300 (turns, 4th order) +WTURN6= 0.000000 (turns, 6th order) +WDFA_D= 0.000000 (DFA, distance) +WDFA_T= 0.000000 (DFA, torsional) +WDFA_N= 0.000000 (DFA, number of neighbor) +WDFA_B= 0.000000 (DFA, beta formation) + Reference temperature for weights calculation: 300.000000000000 + Parameters of the SS-bond potential: + D0CM 3.78000000000000 AKCM 15.1000000000000 AKTH + 11.0000000000000 AKCT 12.0000000000000 + V1SS -1.08000000000000 V2SS 7.61000000000000 V3SS + 13.7000000000000 + EBR -5.50000000000000 + ITEL + 1 21 0 + 2 14 1 + 3 5 1 + 4 8 1 + 5 4 1 + 6 13 1 + 7 7 1 + 8 5 1 + 9 19 1 + 10 16 1 + 11 10 1 + 12 10 2 + 13 20 1 + 14 12 1 + 15 12 1 + 16 10 1 + 17 18 2 + 18 20 2 + 19 20 2 + 20 20 1 + 21 12 0 + ns= 0 iss: + There are 22 constraints on phi angles. + 1 0.000 180.000 + 2 0.000 180.000 + 3 0.000 180.000 + 4 0.000 180.000 + 5 0.000 180.000 + 6 0.000 180.000 + 7 45.000 5.000 + 8 45.000 5.000 + 9 45.000 5.000 + 10 45.000 5.000 + 11 45.000 5.000 + 12 45.000 5.000 + 13 0.000 180.000 + 14 0.000 180.000 + 15 0.000 180.000 + 16 0.000 180.000 + 17 0.000 180.000 + 18 0.000 180.000 + 19 0.000 180.000 + 20 0.000 180.000 + 21 0.000 180.000 + 22 0.000 180.000 + FTORS 0.000000000000000E+000 + NZ_START= 2 NZ_END= 21 + IZ_SC= 0 + +Geometry of the virtual chain. + Res d Theta Gamma Dsc Alpha Beta +D 1 0.000 0.000 0.000 0.000 0.000 0.000 +ASN 2 3.800 0.000 0.000 1.684 0.000 0.000 +LEU 3 3.800 0.000 0.000 1.939 0.000 0.000 +TYR 4 3.800 0.000 0.000 2.484 0.000 0.000 +ILE 5 3.800 0.000 0.000 1.776 0.000 0.000 +GLN 6 3.800 0.000 0.000 2.240 0.000 0.000 +TRP 7 3.800 0.000 0.000 2.605 0.000 0.000 +LEU 8 3.800 0.000 0.000 1.939 0.000 0.000 +LYS 9 3.800 0.000 0.000 2.541 0.000 0.000 +ASP 10 3.800 0.000 0.000 1.709 0.000 0.000 +GLY 11 3.800 0.000 0.000 0.000 0.000 0.000 +GLY 12 3.800 0.000 0.000 0.000 0.000 0.000 +PRO 13 3.800 0.000 0.000 1.345 0.000 0.000 +SER 14 3.800 0.000 0.000 1.150 0.000 0.000 +SER 15 3.800 0.000 0.000 1.150 0.000 0.000 +GLY 16 3.800 0.000 0.000 0.000 0.000 0.000 +ARG 17 3.800 0.000 0.000 3.020 0.000 0.000 +PRO 18 3.800 0.000 0.000 1.345 0.000 0.000 +PRO 19 3.800 0.000 0.000 1.345 0.000 0.000 +PRO 20 3.800 0.000 0.000 1.345 0.000 0.000 +SER 21 3.800 0.000 0.000 1.150 0.000 0.000 +D 22 3.800 0.000 0.000 0.000 0.000 0.000 + + +******************************************************************************** + Processor 22: end reading molecular data. +******************************************************************************** + + +CSA calculations calculation. + +Conformations will be energy-minimized. +******************************************************************************** + +Waiting for 0.1484 sec +Waiting for 0.1914 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec + Finishing minim_jlee - signal 0 from master +Waiting for 0.0000 sec +Waiting for 0.0508 sec +Waiting for 0.0117 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.4805 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2227 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.4805 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3203 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.5000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2852 sec +Waiting for 0.0000 sec +Waiting for 0.0312 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3008 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0312 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.4805 sec +Waiting for 0.0000 sec +Waiting for 0.0078 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3203 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0352 sec +Waiting for 0.0000 sec +Waiting for 0.4727 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0078 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3125 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.4062 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3594 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3203 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3398 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.4609 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2891 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3320 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.4375 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.5586 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3633 sec +Waiting for 0.0898 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.6289 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0117 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.5391 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.5859 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 2.5977 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 2.4336 sec +Waiting for 0.3164 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3086 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 1.1875 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.3711 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 1.1523 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.7852 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.4531 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 1.2344 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3203 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3828 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3477 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 1.1797 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2695 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.1758 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3242 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.2227 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3867 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3477 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.4297 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.6680 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 1.2266 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.1719 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.4922 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3867 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.5469 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.9844 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3047 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.1758 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.4414 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.4062 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3008 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.4062 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3281 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3438 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.3711 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 1.0430 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3477 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3477 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3281 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.4102 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.4180 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.7031 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3047 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3242 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.5195 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3008 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3672 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2969 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2695 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.3633 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3672 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.4883 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3984 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.5000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.6367 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.6797 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 1.0312 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.5312 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 1.4062 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.9023 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.5898 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.4570 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.4805 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3711 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3516 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3828 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3516 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3711 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3086 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.4453 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3203 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2109 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2227 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.4141 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3320 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.4297 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3242 sec +Waiting for 0.0000 sec +Waiting for 0.0078 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.5859 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.1133 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.5039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.5391 sec + Finishing minim_jlee - signal 0 from master + End of minim, proc 22 time 218.074218750000 +CG processor 22 is finishing work. + Total wall clock time 224.539062500000 sec diff --git a/examples/unres/CSA/GAB/CSA/global/restrained/1l2y_csa.out_GB023 b/examples/unres/CSA/GAB/CSA/global/restrained/1l2y_csa.out_GB023 new file mode 100644 index 0000000..566a14c --- /dev/null +++ b/examples/unres/CSA/GAB/CSA/global/restrained/1l2y_csa.out_GB023 @@ -0,0 +1,1215 @@ +******************************************************************************** +United-residue force field calculation - parallel job. +******************************************************************************** + MPI: node= 23 iseed= -73433831 + ran_num 0.570055771947325 +RMSDBC = 3.0 +RMSDBC1 = 0.5 +RMSDBC1MAX = 1.5 +DRMS = 0.1 +RMSDBCM = 3.0 +Time limit (min): 960.0 + RESCALE_MODE 0 +Library routine used to diagonalize matrices. + +******************************************************************************** + Options in energy minimization: +******************************************************************************** +MaxMin: 3000 MaxFun: 1000MinMin: 3000 MinFun: 3000 TolF: 1.00000E-02 RTolF: 1.00000E-04 + NCONF_IN 0 + +Energy-term weights (unscaled): + +WSCC= 1.352790 (SC-SC) +WSCP= 1.593040 (SC-p) +WELEC= 0.715340 (p-p electr) +WVDWPP= 0.113710 (p-p VDW) +WBOND= 1.000000 (stretching) +WANG= 1.138730 (bending) +WSCLOC= 0.162580 (SC local) +WTOR= 1.985990 (torsional) +WTORD= 1.570690 (double torsional) +WSTRAIN= 1.000000 (SS bridges & dist. cnstr.) +WEL_LOC= 0.160360 (multi-body 3-rd order) +WCORR4= 0.428870 (multi-body 4th order) +WCORR5= 0.000000 (multi-body 5th order) +WCORR6= 0.000000 (multi-body 6th order) +WSCCOR= 0.000000 (back-scloc correlation) +WTURN3= 1.687220 (turns, 3rd order) +WTURN4= 0.662300 (turns, 4th order) +WTURN6= 0.000000 (turns, 6th order) +WDFA_D= 0.000000 (DFA, distance) +WDFA_T= 0.000000 (DFA, torsional) +WDFA_N= 0.000000 (DFA, number of neighbor) +WDFA_B= 0.000000 (DFA, beta formation) + +Hydrogen-bonding correlation between contact pairs of peptide groups + +Scaling factor of 1,4 SC-p interactions: 0.400 +General scaling factor of SC-p interactions: 1.000 + +Energy-term weights (scaled): + +WSCC= 1.352790 (SC-SC) +WSCP= 1.593040 (SC-p) +WELEC= 0.715340 (p-p electr) +WVDWPP= 0.113710 (p-p VDW) +WBOND= 1.000000 (stretching) +WANG= 1.138730 (bending) +WSCLOC= 0.162580 (SC local) +WTOR= 1.985990 (torsional) +WTORD= 1.570690 (double torsional) +WSTRAIN= 1.000000 (SS bridges & dist. cnstr.) +WEL_LOC= 0.160360 (multi-body 3-rd order) +WCORR4= 0.428870 (multi-body 4th order) +WCORR5= 0.000000 (multi-body 5th order) +WCORR6= 0.000000 (multi-body 6th order) +WSCCOR= 0.000000 (back-scloc correlatkion) +WTURN3= 1.687220 (turns, 3rd order) +WTURN4= 0.662300 (turns, 4th order) +WTURN6= 0.000000 (turns, 6th order) +WDFA_D= 0.000000 (DFA, distance) +WDFA_T= 0.000000 (DFA, torsional) +WDFA_N= 0.000000 (DFA, number of neighbor) +WDFA_B= 0.000000 (DFA, beta formation) + Reference temperature for weights calculation: 300.000000000000 + Parameters of the SS-bond potential: + D0CM 3.78000000000000 AKCM 15.1000000000000 AKTH + 11.0000000000000 AKCT 12.0000000000000 + V1SS -1.08000000000000 V2SS 7.61000000000000 V3SS + 13.7000000000000 + EBR -5.50000000000000 + ITEL + 1 21 0 + 2 14 1 + 3 5 1 + 4 8 1 + 5 4 1 + 6 13 1 + 7 7 1 + 8 5 1 + 9 19 1 + 10 16 1 + 11 10 1 + 12 10 2 + 13 20 1 + 14 12 1 + 15 12 1 + 16 10 1 + 17 18 2 + 18 20 2 + 19 20 2 + 20 20 1 + 21 12 0 + ns= 0 iss: + There are 22 constraints on phi angles. + 1 0.000 180.000 + 2 0.000 180.000 + 3 0.000 180.000 + 4 0.000 180.000 + 5 0.000 180.000 + 6 0.000 180.000 + 7 45.000 5.000 + 8 45.000 5.000 + 9 45.000 5.000 + 10 45.000 5.000 + 11 45.000 5.000 + 12 45.000 5.000 + 13 0.000 180.000 + 14 0.000 180.000 + 15 0.000 180.000 + 16 0.000 180.000 + 17 0.000 180.000 + 18 0.000 180.000 + 19 0.000 180.000 + 20 0.000 180.000 + 21 0.000 180.000 + 22 0.000 180.000 + FTORS 0.000000000000000E+000 + NZ_START= 2 NZ_END= 21 + IZ_SC= 0 + +Geometry of the virtual chain. + Res d Theta Gamma Dsc Alpha Beta +D 1 0.000 0.000 0.000 0.000 0.000 0.000 +ASN 2 3.800 0.000 0.000 1.684 0.000 0.000 +LEU 3 3.800 0.000 0.000 1.939 0.000 0.000 +TYR 4 3.800 0.000 0.000 2.484 0.000 0.000 +ILE 5 3.800 0.000 0.000 1.776 0.000 0.000 +GLN 6 3.800 0.000 0.000 2.240 0.000 0.000 +TRP 7 3.800 0.000 0.000 2.605 0.000 0.000 +LEU 8 3.800 0.000 0.000 1.939 0.000 0.000 +LYS 9 3.800 0.000 0.000 2.541 0.000 0.000 +ASP 10 3.800 0.000 0.000 1.709 0.000 0.000 +GLY 11 3.800 0.000 0.000 0.000 0.000 0.000 +GLY 12 3.800 0.000 0.000 0.000 0.000 0.000 +PRO 13 3.800 0.000 0.000 1.345 0.000 0.000 +SER 14 3.800 0.000 0.000 1.150 0.000 0.000 +SER 15 3.800 0.000 0.000 1.150 0.000 0.000 +GLY 16 3.800 0.000 0.000 0.000 0.000 0.000 +ARG 17 3.800 0.000 0.000 3.020 0.000 0.000 +PRO 18 3.800 0.000 0.000 1.345 0.000 0.000 +PRO 19 3.800 0.000 0.000 1.345 0.000 0.000 +PRO 20 3.800 0.000 0.000 1.345 0.000 0.000 +SER 21 3.800 0.000 0.000 1.150 0.000 0.000 +D 22 3.800 0.000 0.000 0.000 0.000 0.000 + + +******************************************************************************** + Processor 23: end reading molecular data. +******************************************************************************** + + +CSA calculations calculation. + +Conformations will be energy-minimized. +******************************************************************************** + +Waiting for 0.1367 sec +Waiting for 0.0859 sec +Waiting for 0.0000 sec +Waiting for 0.0391 sec +Waiting for 0.0664 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec + Finishing minim_jlee - signal 0 from master +Waiting for 0.6055 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0117 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3750 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.5156 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2773 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0352 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.4180 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2852 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3906 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2773 sec +Waiting for 0.0234 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0078 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3398 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.4258 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3008 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0078 sec +Waiting for 0.5117 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2734 sec +Waiting for 0.0000 sec +Waiting for 0.0195 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3945 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3594 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2617 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2891 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.4375 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.3203 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3633 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.4023 sec +Waiting for 0.0000 sec +Waiting for 0.0469 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.5352 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3516 sec +Waiting for 0.0000 sec +Waiting for 0.0781 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.6367 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.1172 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.5625 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.5898 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 2.5117 sec +Waiting for 0.2617 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 2.4023 sec +Waiting for 0.0000 sec +Waiting for 0.1641 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3125 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 1.1289 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3594 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 1.1016 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.7422 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.4531 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 1.3477 sec +Waiting for 0.0000 sec +Waiting for 0.0430 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2969 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3828 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3633 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 1.1641 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3086 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2148 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3242 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2031 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.4844 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3594 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.3906 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.5156 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0742 sec +Waiting for 0.0000 sec +Waiting for 1.2500 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.4961 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3633 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.4844 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 1.1250 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3359 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3320 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.4336 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3398 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.1992 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3281 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2578 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2500 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2930 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 1.0078 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.4688 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2969 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3281 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.5273 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3477 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.7031 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2070 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2930 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.4609 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.1602 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3477 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3828 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3398 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3672 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.3750 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.4844 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3125 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.4219 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.6641 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.6016 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 1.1641 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3672 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 1.4141 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 1.0156 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.6719 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.4883 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.4727 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3633 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3672 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3672 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3711 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3047 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3125 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.4688 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3281 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3125 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2578 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3594 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2227 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.4570 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3438 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.5586 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3086 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.5938 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.5781 sec + Finishing minim_jlee - signal 0 from master + End of minim, proc 23 time 220.980468750000 +CG processor 23 is finishing work. + Total wall clock time 224.527343750000 sec diff --git a/examples/unres/CSA/GAB/CSA/global/restrained/1l2y_csa.out_GB024 b/examples/unres/CSA/GAB/CSA/global/restrained/1l2y_csa.out_GB024 new file mode 100644 index 0000000..2ed5213 --- /dev/null +++ b/examples/unres/CSA/GAB/CSA/global/restrained/1l2y_csa.out_GB024 @@ -0,0 +1,1366 @@ +******************************************************************************** +United-residue force field calculation - parallel job. +******************************************************************************** + MPI: node= 24 iseed= -76493574 + ran_num 0.843808017800105 +RMSDBC = 3.0 +RMSDBC1 = 0.5 +RMSDBC1MAX = 1.5 +DRMS = 0.1 +RMSDBCM = 3.0 +Time limit (min): 960.0 + RESCALE_MODE 0 +Library routine used to diagonalize matrices. + +******************************************************************************** + Options in energy minimization: +******************************************************************************** +MaxMin: 3000 MaxFun: 1000MinMin: 3000 MinFun: 3000 TolF: 1.00000E-02 RTolF: 1.00000E-04 + NCONF_IN 0 + +Energy-term weights (unscaled): + +WSCC= 1.352790 (SC-SC) +WSCP= 1.593040 (SC-p) +WELEC= 0.715340 (p-p electr) +WVDWPP= 0.113710 (p-p VDW) +WBOND= 1.000000 (stretching) +WANG= 1.138730 (bending) +WSCLOC= 0.162580 (SC local) +WTOR= 1.985990 (torsional) +WTORD= 1.570690 (double torsional) +WSTRAIN= 1.000000 (SS bridges & dist. cnstr.) +WEL_LOC= 0.160360 (multi-body 3-rd order) +WCORR4= 0.428870 (multi-body 4th order) +WCORR5= 0.000000 (multi-body 5th order) +WCORR6= 0.000000 (multi-body 6th order) +WSCCOR= 0.000000 (back-scloc correlation) +WTURN3= 1.687220 (turns, 3rd order) +WTURN4= 0.662300 (turns, 4th order) +WTURN6= 0.000000 (turns, 6th order) +WDFA_D= 0.000000 (DFA, distance) +WDFA_T= 0.000000 (DFA, torsional) +WDFA_N= 0.000000 (DFA, number of neighbor) +WDFA_B= 0.000000 (DFA, beta formation) + +Hydrogen-bonding correlation between contact pairs of peptide groups + +Scaling factor of 1,4 SC-p interactions: 0.400 +General scaling factor of SC-p interactions: 1.000 + +Energy-term weights (scaled): + +WSCC= 1.352790 (SC-SC) +WSCP= 1.593040 (SC-p) +WELEC= 0.715340 (p-p electr) +WVDWPP= 0.113710 (p-p VDW) +WBOND= 1.000000 (stretching) +WANG= 1.138730 (bending) +WSCLOC= 0.162580 (SC local) +WTOR= 1.985990 (torsional) +WTORD= 1.570690 (double torsional) +WSTRAIN= 1.000000 (SS bridges & dist. cnstr.) +WEL_LOC= 0.160360 (multi-body 3-rd order) +WCORR4= 0.428870 (multi-body 4th order) +WCORR5= 0.000000 (multi-body 5th order) +WCORR6= 0.000000 (multi-body 6th order) +WSCCOR= 0.000000 (back-scloc correlatkion) +WTURN3= 1.687220 (turns, 3rd order) +WTURN4= 0.662300 (turns, 4th order) +WTURN6= 0.000000 (turns, 6th order) +WDFA_D= 0.000000 (DFA, distance) +WDFA_T= 0.000000 (DFA, torsional) +WDFA_N= 0.000000 (DFA, number of neighbor) +WDFA_B= 0.000000 (DFA, beta formation) + Reference temperature for weights calculation: 300.000000000000 + Parameters of the SS-bond potential: + D0CM 3.78000000000000 AKCM 15.1000000000000 AKTH + 11.0000000000000 AKCT 12.0000000000000 + V1SS -1.08000000000000 V2SS 7.61000000000000 V3SS + 13.7000000000000 + EBR -5.50000000000000 + ITEL + 1 21 0 + 2 14 1 + 3 5 1 + 4 8 1 + 5 4 1 + 6 13 1 + 7 7 1 + 8 5 1 + 9 19 1 + 10 16 1 + 11 10 1 + 12 10 2 + 13 20 1 + 14 12 1 + 15 12 1 + 16 10 1 + 17 18 2 + 18 20 2 + 19 20 2 + 20 20 1 + 21 12 0 + ns= 0 iss: + There are 22 constraints on phi angles. + 1 0.000 180.000 + 2 0.000 180.000 + 3 0.000 180.000 + 4 0.000 180.000 + 5 0.000 180.000 + 6 0.000 180.000 + 7 45.000 5.000 + 8 45.000 5.000 + 9 45.000 5.000 + 10 45.000 5.000 + 11 45.000 5.000 + 12 45.000 5.000 + 13 0.000 180.000 + 14 0.000 180.000 + 15 0.000 180.000 + 16 0.000 180.000 + 17 0.000 180.000 + 18 0.000 180.000 + 19 0.000 180.000 + 20 0.000 180.000 + 21 0.000 180.000 + 22 0.000 180.000 + FTORS 0.000000000000000E+000 + NZ_START= 2 NZ_END= 21 + IZ_SC= 0 + +Geometry of the virtual chain. + Res d Theta Gamma Dsc Alpha Beta +D 1 0.000 0.000 0.000 0.000 0.000 0.000 +ASN 2 3.800 0.000 0.000 1.684 0.000 0.000 +LEU 3 3.800 0.000 0.000 1.939 0.000 0.000 +TYR 4 3.800 0.000 0.000 2.484 0.000 0.000 +ILE 5 3.800 0.000 0.000 1.776 0.000 0.000 +GLN 6 3.800 0.000 0.000 2.240 0.000 0.000 +TRP 7 3.800 0.000 0.000 2.605 0.000 0.000 +LEU 8 3.800 0.000 0.000 1.939 0.000 0.000 +LYS 9 3.800 0.000 0.000 2.541 0.000 0.000 +ASP 10 3.800 0.000 0.000 1.709 0.000 0.000 +GLY 11 3.800 0.000 0.000 0.000 0.000 0.000 +GLY 12 3.800 0.000 0.000 0.000 0.000 0.000 +PRO 13 3.800 0.000 0.000 1.345 0.000 0.000 +SER 14 3.800 0.000 0.000 1.150 0.000 0.000 +SER 15 3.800 0.000 0.000 1.150 0.000 0.000 +GLY 16 3.800 0.000 0.000 0.000 0.000 0.000 +ARG 17 3.800 0.000 0.000 3.020 0.000 0.000 +PRO 18 3.800 0.000 0.000 1.345 0.000 0.000 +PRO 19 3.800 0.000 0.000 1.345 0.000 0.000 +PRO 20 3.800 0.000 0.000 1.345 0.000 0.000 +SER 21 3.800 0.000 0.000 1.150 0.000 0.000 +D 22 3.800 0.000 0.000 0.000 0.000 0.000 + + +******************************************************************************** + Processor 24: end reading molecular data. +******************************************************************************** + + +CSA calculations calculation. + +Conformations will be energy-minimized. +******************************************************************************** + +Waiting for 0.1289 sec +Waiting for 0.1680 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec + Finishing minim_jlee - signal 0 from master +Waiting for 0.6055 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0430 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.4648 sec +Waiting for 0.0430 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0156 sec +Waiting for 0.4336 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.1758 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.4805 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.1680 sec +Waiting for 0.0078 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.4453 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2891 sec +Waiting for 0.0000 sec +Waiting for 0.0586 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3242 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0156 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.5234 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2656 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0586 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.4492 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2891 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0234 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.4492 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3711 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3438 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.1680 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.4023 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.2539 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2734 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.4453 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.5547 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0391 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3711 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0234 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.6719 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.3867 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.5898 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 2.5547 sec +Waiting for 0.0000 sec +Waiting for 0.2305 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 2.3164 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2656 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2852 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 1.1250 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3633 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 1.1992 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.6914 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.5156 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 1.3281 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3008 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3867 sec +Waiting for 0.0117 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3398 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 1.1914 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3086 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2148 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2812 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3516 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.4805 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3789 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.4023 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.5820 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0117 sec +Waiting for 1.2461 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0078 sec +Waiting for 0.0000 sec +Waiting for 0.2305 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.4766 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.4180 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.5352 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 1.0664 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3477 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3438 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3984 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3906 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3398 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.4180 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3398 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3203 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2656 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 1.0117 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3789 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2031 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2812 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.4688 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3203 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.6719 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2930 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3477 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.4922 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3359 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2734 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3125 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3047 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.1445 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3438 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.4688 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3828 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.4805 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.6445 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.6445 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 1.1953 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.4180 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 1.3789 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 1.0547 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.6797 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.4688 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.5000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3672 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3633 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3828 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3008 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.4180 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3398 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.4688 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2734 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.3398 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2734 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.4297 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3242 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3672 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3750 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.5859 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.1953 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.5703 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0078 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.6250 sec + Finishing minim_jlee - signal 0 from master + End of minim, proc 24 time 220.984375000000 +CG processor 24 is finishing work. + Total wall clock time 224.539062500000 sec diff --git a/examples/unres/CSA/GAB/CSA/global/restrained/1l2y_csa.out_GB025 b/examples/unres/CSA/GAB/CSA/global/restrained/1l2y_csa.out_GB025 new file mode 100644 index 0000000..ef5713a --- /dev/null +++ b/examples/unres/CSA/GAB/CSA/global/restrained/1l2y_csa.out_GB025 @@ -0,0 +1,1387 @@ +******************************************************************************** +United-residue force field calculation - parallel job. +******************************************************************************** + MPI: node= 25 iseed= -79553317 + ran_num 0.117560263652884 +RMSDBC = 3.0 +RMSDBC1 = 0.5 +RMSDBC1MAX = 1.5 +DRMS = 0.1 +RMSDBCM = 3.0 +Time limit (min): 960.0 + RESCALE_MODE 0 +Library routine used to diagonalize matrices. + +******************************************************************************** + Options in energy minimization: +******************************************************************************** +MaxMin: 3000 MaxFun: 1000MinMin: 3000 MinFun: 3000 TolF: 1.00000E-02 RTolF: 1.00000E-04 + NCONF_IN 0 + +Energy-term weights (unscaled): + +WSCC= 1.352790 (SC-SC) +WSCP= 1.593040 (SC-p) +WELEC= 0.715340 (p-p electr) +WVDWPP= 0.113710 (p-p VDW) +WBOND= 1.000000 (stretching) +WANG= 1.138730 (bending) +WSCLOC= 0.162580 (SC local) +WTOR= 1.985990 (torsional) +WTORD= 1.570690 (double torsional) +WSTRAIN= 1.000000 (SS bridges & dist. cnstr.) +WEL_LOC= 0.160360 (multi-body 3-rd order) +WCORR4= 0.428870 (multi-body 4th order) +WCORR5= 0.000000 (multi-body 5th order) +WCORR6= 0.000000 (multi-body 6th order) +WSCCOR= 0.000000 (back-scloc correlation) +WTURN3= 1.687220 (turns, 3rd order) +WTURN4= 0.662300 (turns, 4th order) +WTURN6= 0.000000 (turns, 6th order) +WDFA_D= 0.000000 (DFA, distance) +WDFA_T= 0.000000 (DFA, torsional) +WDFA_N= 0.000000 (DFA, number of neighbor) +WDFA_B= 0.000000 (DFA, beta formation) + +Hydrogen-bonding correlation between contact pairs of peptide groups + +Scaling factor of 1,4 SC-p interactions: 0.400 +General scaling factor of SC-p interactions: 1.000 + +Energy-term weights (scaled): + +WSCC= 1.352790 (SC-SC) +WSCP= 1.593040 (SC-p) +WELEC= 0.715340 (p-p electr) +WVDWPP= 0.113710 (p-p VDW) +WBOND= 1.000000 (stretching) +WANG= 1.138730 (bending) +WSCLOC= 0.162580 (SC local) +WTOR= 1.985990 (torsional) +WTORD= 1.570690 (double torsional) +WSTRAIN= 1.000000 (SS bridges & dist. cnstr.) +WEL_LOC= 0.160360 (multi-body 3-rd order) +WCORR4= 0.428870 (multi-body 4th order) +WCORR5= 0.000000 (multi-body 5th order) +WCORR6= 0.000000 (multi-body 6th order) +WSCCOR= 0.000000 (back-scloc correlatkion) +WTURN3= 1.687220 (turns, 3rd order) +WTURN4= 0.662300 (turns, 4th order) +WTURN6= 0.000000 (turns, 6th order) +WDFA_D= 0.000000 (DFA, distance) +WDFA_T= 0.000000 (DFA, torsional) +WDFA_N= 0.000000 (DFA, number of neighbor) +WDFA_B= 0.000000 (DFA, beta formation) + Reference temperature for weights calculation: 300.000000000000 + Parameters of the SS-bond potential: + D0CM 3.78000000000000 AKCM 15.1000000000000 AKTH + 11.0000000000000 AKCT 12.0000000000000 + V1SS -1.08000000000000 V2SS 7.61000000000000 V3SS + 13.7000000000000 + EBR -5.50000000000000 + ITEL + 1 21 0 + 2 14 1 + 3 5 1 + 4 8 1 + 5 4 1 + 6 13 1 + 7 7 1 + 8 5 1 + 9 19 1 + 10 16 1 + 11 10 1 + 12 10 2 + 13 20 1 + 14 12 1 + 15 12 1 + 16 10 1 + 17 18 2 + 18 20 2 + 19 20 2 + 20 20 1 + 21 12 0 + ns= 0 iss: + There are 22 constraints on phi angles. + 1 0.000 180.000 + 2 0.000 180.000 + 3 0.000 180.000 + 4 0.000 180.000 + 5 0.000 180.000 + 6 0.000 180.000 + 7 45.000 5.000 + 8 45.000 5.000 + 9 45.000 5.000 + 10 45.000 5.000 + 11 45.000 5.000 + 12 45.000 5.000 + 13 0.000 180.000 + 14 0.000 180.000 + 15 0.000 180.000 + 16 0.000 180.000 + 17 0.000 180.000 + 18 0.000 180.000 + 19 0.000 180.000 + 20 0.000 180.000 + 21 0.000 180.000 + 22 0.000 180.000 + FTORS 0.000000000000000E+000 + NZ_START= 2 NZ_END= 21 + IZ_SC= 0 + +Geometry of the virtual chain. + Res d Theta Gamma Dsc Alpha Beta +D 1 0.000 0.000 0.000 0.000 0.000 0.000 +ASN 2 3.800 0.000 0.000 1.684 0.000 0.000 +LEU 3 3.800 0.000 0.000 1.939 0.000 0.000 +TYR 4 3.800 0.000 0.000 2.484 0.000 0.000 +ILE 5 3.800 0.000 0.000 1.776 0.000 0.000 +GLN 6 3.800 0.000 0.000 2.240 0.000 0.000 +TRP 7 3.800 0.000 0.000 2.605 0.000 0.000 +LEU 8 3.800 0.000 0.000 1.939 0.000 0.000 +LYS 9 3.800 0.000 0.000 2.541 0.000 0.000 +ASP 10 3.800 0.000 0.000 1.709 0.000 0.000 +GLY 11 3.800 0.000 0.000 0.000 0.000 0.000 +GLY 12 3.800 0.000 0.000 0.000 0.000 0.000 +PRO 13 3.800 0.000 0.000 1.345 0.000 0.000 +SER 14 3.800 0.000 0.000 1.150 0.000 0.000 +SER 15 3.800 0.000 0.000 1.150 0.000 0.000 +GLY 16 3.800 0.000 0.000 0.000 0.000 0.000 +ARG 17 3.800 0.000 0.000 3.020 0.000 0.000 +PRO 18 3.800 0.000 0.000 1.345 0.000 0.000 +PRO 19 3.800 0.000 0.000 1.345 0.000 0.000 +PRO 20 3.800 0.000 0.000 1.345 0.000 0.000 +SER 21 3.800 0.000 0.000 1.150 0.000 0.000 +D 22 3.800 0.000 0.000 0.000 0.000 0.000 + + +******************************************************************************** + Processor 25: end reading molecular data. +******************************************************************************** + + +CSA calculations calculation. + +Conformations will be energy-minimized. +******************************************************************************** + +Waiting for 0.1328 sec +Waiting for 0.0898 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0859 sec +Waiting for 0.0000 sec +Waiting for 0.0234 sec + Finishing minim_jlee - signal 0 from master +Waiting for 0.6172 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0195 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.5117 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0156 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.5156 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2734 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.4688 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3359 sec +Waiting for 0.0273 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.4805 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2891 sec +Waiting for 0.0547 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3398 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.4961 sec +Waiting for 0.0312 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.1992 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0312 sec +Waiting for 0.0000 sec +Waiting for 0.5000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.3242 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0273 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.4609 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2969 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3438 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.2578 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3984 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0039 sec +Waiting for 0.0039 sec +Waiting for 0.2383 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3594 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3750 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.5859 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2734 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.6797 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.1094 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.5508 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.5703 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 2.5391 sec +Waiting for 0.0000 sec +Waiting for 0.2227 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 2.3828 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3672 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0078 sec +Waiting for 0.3359 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 1.1289 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3516 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 1.1484 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.7734 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.5469 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 1.2305 sec +Waiting for 0.0000 sec +Waiting for 0.0430 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.2617 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3398 sec +Waiting for 0.0469 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3516 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 1.1836 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2500 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2344 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2930 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3281 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.4570 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3477 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.4219 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.6289 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0195 sec +Waiting for 1.2578 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2344 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.5352 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.4258 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.5352 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 1.0859 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2812 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3203 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.4062 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3711 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3672 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.4023 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3008 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3672 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3789 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.9336 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.4531 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3203 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0078 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2227 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3555 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.4414 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.6992 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.1680 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3359 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0078 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.5273 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.1797 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3398 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2852 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3281 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3984 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.1914 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.5430 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2852 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.4961 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0078 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.6406 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.6875 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 1.2383 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.4805 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 1.4375 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 1.0664 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.6484 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.5469 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.5312 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2695 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3125 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.1797 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2891 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3594 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3359 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.4414 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2578 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3203 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3438 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.4141 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3398 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.4141 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3750 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.5508 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2812 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.6406 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.5625 sec + Finishing minim_jlee - signal 0 from master + End of minim, proc 25 time 220.984375000000 +CG processor 25 is finishing work. + Total wall clock time 224.531250000000 sec diff --git a/examples/unres/CSA/GAB/CSA/global/restrained/1l2y_csa.out_GB026 b/examples/unres/CSA/GAB/CSA/global/restrained/1l2y_csa.out_GB026 new file mode 100644 index 0000000..1571a0c --- /dev/null +++ b/examples/unres/CSA/GAB/CSA/global/restrained/1l2y_csa.out_GB026 @@ -0,0 +1,1366 @@ +******************************************************************************** +United-residue force field calculation - parallel job. +******************************************************************************** + MPI: node= 26 iseed= -82613060 + ran_num 0.391312509505663 +RMSDBC = 3.0 +RMSDBC1 = 0.5 +RMSDBC1MAX = 1.5 +DRMS = 0.1 +RMSDBCM = 3.0 +Time limit (min): 960.0 + RESCALE_MODE 0 +Library routine used to diagonalize matrices. + +******************************************************************************** + Options in energy minimization: +******************************************************************************** +MaxMin: 3000 MaxFun: 1000MinMin: 3000 MinFun: 3000 TolF: 1.00000E-02 RTolF: 1.00000E-04 + NCONF_IN 0 + +Energy-term weights (unscaled): + +WSCC= 1.352790 (SC-SC) +WSCP= 1.593040 (SC-p) +WELEC= 0.715340 (p-p electr) +WVDWPP= 0.113710 (p-p VDW) +WBOND= 1.000000 (stretching) +WANG= 1.138730 (bending) +WSCLOC= 0.162580 (SC local) +WTOR= 1.985990 (torsional) +WTORD= 1.570690 (double torsional) +WSTRAIN= 1.000000 (SS bridges & dist. cnstr.) +WEL_LOC= 0.160360 (multi-body 3-rd order) +WCORR4= 0.428870 (multi-body 4th order) +WCORR5= 0.000000 (multi-body 5th order) +WCORR6= 0.000000 (multi-body 6th order) +WSCCOR= 0.000000 (back-scloc correlation) +WTURN3= 1.687220 (turns, 3rd order) +WTURN4= 0.662300 (turns, 4th order) +WTURN6= 0.000000 (turns, 6th order) +WDFA_D= 0.000000 (DFA, distance) +WDFA_T= 0.000000 (DFA, torsional) +WDFA_N= 0.000000 (DFA, number of neighbor) +WDFA_B= 0.000000 (DFA, beta formation) + +Hydrogen-bonding correlation between contact pairs of peptide groups + +Scaling factor of 1,4 SC-p interactions: 0.400 +General scaling factor of SC-p interactions: 1.000 + +Energy-term weights (scaled): + +WSCC= 1.352790 (SC-SC) +WSCP= 1.593040 (SC-p) +WELEC= 0.715340 (p-p electr) +WVDWPP= 0.113710 (p-p VDW) +WBOND= 1.000000 (stretching) +WANG= 1.138730 (bending) +WSCLOC= 0.162580 (SC local) +WTOR= 1.985990 (torsional) +WTORD= 1.570690 (double torsional) +WSTRAIN= 1.000000 (SS bridges & dist. cnstr.) +WEL_LOC= 0.160360 (multi-body 3-rd order) +WCORR4= 0.428870 (multi-body 4th order) +WCORR5= 0.000000 (multi-body 5th order) +WCORR6= 0.000000 (multi-body 6th order) +WSCCOR= 0.000000 (back-scloc correlatkion) +WTURN3= 1.687220 (turns, 3rd order) +WTURN4= 0.662300 (turns, 4th order) +WTURN6= 0.000000 (turns, 6th order) +WDFA_D= 0.000000 (DFA, distance) +WDFA_T= 0.000000 (DFA, torsional) +WDFA_N= 0.000000 (DFA, number of neighbor) +WDFA_B= 0.000000 (DFA, beta formation) + Reference temperature for weights calculation: 300.000000000000 + Parameters of the SS-bond potential: + D0CM 3.78000000000000 AKCM 15.1000000000000 AKTH + 11.0000000000000 AKCT 12.0000000000000 + V1SS -1.08000000000000 V2SS 7.61000000000000 V3SS + 13.7000000000000 + EBR -5.50000000000000 + ITEL + 1 21 0 + 2 14 1 + 3 5 1 + 4 8 1 + 5 4 1 + 6 13 1 + 7 7 1 + 8 5 1 + 9 19 1 + 10 16 1 + 11 10 1 + 12 10 2 + 13 20 1 + 14 12 1 + 15 12 1 + 16 10 1 + 17 18 2 + 18 20 2 + 19 20 2 + 20 20 1 + 21 12 0 + ns= 0 iss: + There are 22 constraints on phi angles. + 1 0.000 180.000 + 2 0.000 180.000 + 3 0.000 180.000 + 4 0.000 180.000 + 5 0.000 180.000 + 6 0.000 180.000 + 7 45.000 5.000 + 8 45.000 5.000 + 9 45.000 5.000 + 10 45.000 5.000 + 11 45.000 5.000 + 12 45.000 5.000 + 13 0.000 180.000 + 14 0.000 180.000 + 15 0.000 180.000 + 16 0.000 180.000 + 17 0.000 180.000 + 18 0.000 180.000 + 19 0.000 180.000 + 20 0.000 180.000 + 21 0.000 180.000 + 22 0.000 180.000 + FTORS 0.000000000000000E+000 + NZ_START= 2 NZ_END= 21 + IZ_SC= 0 + +Geometry of the virtual chain. + Res d Theta Gamma Dsc Alpha Beta +D 1 0.000 0.000 0.000 0.000 0.000 0.000 +ASN 2 3.800 0.000 0.000 1.684 0.000 0.000 +LEU 3 3.800 0.000 0.000 1.939 0.000 0.000 +TYR 4 3.800 0.000 0.000 2.484 0.000 0.000 +ILE 5 3.800 0.000 0.000 1.776 0.000 0.000 +GLN 6 3.800 0.000 0.000 2.240 0.000 0.000 +TRP 7 3.800 0.000 0.000 2.605 0.000 0.000 +LEU 8 3.800 0.000 0.000 1.939 0.000 0.000 +LYS 9 3.800 0.000 0.000 2.541 0.000 0.000 +ASP 10 3.800 0.000 0.000 1.709 0.000 0.000 +GLY 11 3.800 0.000 0.000 0.000 0.000 0.000 +GLY 12 3.800 0.000 0.000 0.000 0.000 0.000 +PRO 13 3.800 0.000 0.000 1.345 0.000 0.000 +SER 14 3.800 0.000 0.000 1.150 0.000 0.000 +SER 15 3.800 0.000 0.000 1.150 0.000 0.000 +GLY 16 3.800 0.000 0.000 0.000 0.000 0.000 +ARG 17 3.800 0.000 0.000 3.020 0.000 0.000 +PRO 18 3.800 0.000 0.000 1.345 0.000 0.000 +PRO 19 3.800 0.000 0.000 1.345 0.000 0.000 +PRO 20 3.800 0.000 0.000 1.345 0.000 0.000 +SER 21 3.800 0.000 0.000 1.150 0.000 0.000 +D 22 3.800 0.000 0.000 0.000 0.000 0.000 + + +******************************************************************************** + Processor 26: end reading molecular data. +******************************************************************************** + + +CSA calculations calculation. + +Conformations will be energy-minimized. +******************************************************************************** + +Waiting for 0.1562 sec +Waiting for 0.2070 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0195 sec +Waiting for 0.0000 sec + Finishing minim_jlee - signal 0 from master +Waiting for 0.6055 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.4648 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0273 sec +Waiting for 0.4844 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3086 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3281 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2578 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3750 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2695 sec +Waiting for 0.0000 sec +Waiting for 0.0195 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0430 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3359 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.5117 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2891 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0430 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.4023 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2031 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0430 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.4844 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3906 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0430 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3789 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3438 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec 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0.4805 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2422 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2461 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3281 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3281 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2461 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.4648 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3438 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0078 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.5586 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2031 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.6133 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.5625 sec + Finishing minim_jlee - signal 0 from master + End of minim, proc 26 time 220.984375000000 +CG processor 26 is finishing work. + Total wall clock time 224.535156250000 sec diff --git a/examples/unres/CSA/GAB/CSA/global/restrained/1l2y_csa.out_GB027 b/examples/unres/CSA/GAB/CSA/global/restrained/1l2y_csa.out_GB027 new file mode 100644 index 0000000..ecfe5a6 --- /dev/null +++ b/examples/unres/CSA/GAB/CSA/global/restrained/1l2y_csa.out_GB027 @@ -0,0 +1,1386 @@ +******************************************************************************** +United-residue force field calculation - parallel job. +******************************************************************************** + MPI: node= 27 iseed= -85672803 + ran_num 0.665064755358443 +RMSDBC = 3.0 +RMSDBC1 = 0.5 +RMSDBC1MAX = 1.5 +DRMS = 0.1 +RMSDBCM = 3.0 +Time limit (min): 960.0 + RESCALE_MODE 0 +Library routine used to diagonalize matrices. + +******************************************************************************** + Options in energy minimization: +******************************************************************************** +MaxMin: 3000 MaxFun: 1000MinMin: 3000 MinFun: 3000 TolF: 1.00000E-02 RTolF: 1.00000E-04 + NCONF_IN 0 + +Energy-term weights (unscaled): + +WSCC= 1.352790 (SC-SC) +WSCP= 1.593040 (SC-p) +WELEC= 0.715340 (p-p electr) +WVDWPP= 0.113710 (p-p VDW) +WBOND= 1.000000 (stretching) +WANG= 1.138730 (bending) +WSCLOC= 0.162580 (SC local) +WTOR= 1.985990 (torsional) +WTORD= 1.570690 (double torsional) +WSTRAIN= 1.000000 (SS bridges & dist. cnstr.) +WEL_LOC= 0.160360 (multi-body 3-rd order) +WCORR4= 0.428870 (multi-body 4th order) +WCORR5= 0.000000 (multi-body 5th order) +WCORR6= 0.000000 (multi-body 6th order) +WSCCOR= 0.000000 (back-scloc correlation) +WTURN3= 1.687220 (turns, 3rd order) +WTURN4= 0.662300 (turns, 4th order) +WTURN6= 0.000000 (turns, 6th order) +WDFA_D= 0.000000 (DFA, distance) +WDFA_T= 0.000000 (DFA, torsional) +WDFA_N= 0.000000 (DFA, number of neighbor) +WDFA_B= 0.000000 (DFA, beta formation) + +Hydrogen-bonding correlation between contact pairs of peptide groups + +Scaling factor of 1,4 SC-p interactions: 0.400 +General scaling factor of SC-p interactions: 1.000 + +Energy-term weights (scaled): + +WSCC= 1.352790 (SC-SC) +WSCP= 1.593040 (SC-p) +WELEC= 0.715340 (p-p electr) +WVDWPP= 0.113710 (p-p VDW) +WBOND= 1.000000 (stretching) +WANG= 1.138730 (bending) +WSCLOC= 0.162580 (SC local) +WTOR= 1.985990 (torsional) +WTORD= 1.570690 (double torsional) +WSTRAIN= 1.000000 (SS bridges & dist. cnstr.) +WEL_LOC= 0.160360 (multi-body 3-rd order) +WCORR4= 0.428870 (multi-body 4th order) +WCORR5= 0.000000 (multi-body 5th order) +WCORR6= 0.000000 (multi-body 6th order) +WSCCOR= 0.000000 (back-scloc correlatkion) +WTURN3= 1.687220 (turns, 3rd order) +WTURN4= 0.662300 (turns, 4th order) +WTURN6= 0.000000 (turns, 6th order) +WDFA_D= 0.000000 (DFA, distance) +WDFA_T= 0.000000 (DFA, torsional) +WDFA_N= 0.000000 (DFA, number of neighbor) +WDFA_B= 0.000000 (DFA, beta formation) + Reference temperature for weights calculation: 300.000000000000 + Parameters of the SS-bond potential: + D0CM 3.78000000000000 AKCM 15.1000000000000 AKTH + 11.0000000000000 AKCT 12.0000000000000 + V1SS -1.08000000000000 V2SS 7.61000000000000 V3SS + 13.7000000000000 + EBR -5.50000000000000 + ITEL + 1 21 0 + 2 14 1 + 3 5 1 + 4 8 1 + 5 4 1 + 6 13 1 + 7 7 1 + 8 5 1 + 9 19 1 + 10 16 1 + 11 10 1 + 12 10 2 + 13 20 1 + 14 12 1 + 15 12 1 + 16 10 1 + 17 18 2 + 18 20 2 + 19 20 2 + 20 20 1 + 21 12 0 + ns= 0 iss: + There are 22 constraints on phi angles. + 1 0.000 180.000 + 2 0.000 180.000 + 3 0.000 180.000 + 4 0.000 180.000 + 5 0.000 180.000 + 6 0.000 180.000 + 7 45.000 5.000 + 8 45.000 5.000 + 9 45.000 5.000 + 10 45.000 5.000 + 11 45.000 5.000 + 12 45.000 5.000 + 13 0.000 180.000 + 14 0.000 180.000 + 15 0.000 180.000 + 16 0.000 180.000 + 17 0.000 180.000 + 18 0.000 180.000 + 19 0.000 180.000 + 20 0.000 180.000 + 21 0.000 180.000 + 22 0.000 180.000 + FTORS 0.000000000000000E+000 + NZ_START= 2 NZ_END= 21 + IZ_SC= 0 + +Geometry of the virtual chain. + Res d Theta Gamma Dsc Alpha Beta +D 1 0.000 0.000 0.000 0.000 0.000 0.000 +ASN 2 3.800 0.000 0.000 1.684 0.000 0.000 +LEU 3 3.800 0.000 0.000 1.939 0.000 0.000 +TYR 4 3.800 0.000 0.000 2.484 0.000 0.000 +ILE 5 3.800 0.000 0.000 1.776 0.000 0.000 +GLN 6 3.800 0.000 0.000 2.240 0.000 0.000 +TRP 7 3.800 0.000 0.000 2.605 0.000 0.000 +LEU 8 3.800 0.000 0.000 1.939 0.000 0.000 +LYS 9 3.800 0.000 0.000 2.541 0.000 0.000 +ASP 10 3.800 0.000 0.000 1.709 0.000 0.000 +GLY 11 3.800 0.000 0.000 0.000 0.000 0.000 +GLY 12 3.800 0.000 0.000 0.000 0.000 0.000 +PRO 13 3.800 0.000 0.000 1.345 0.000 0.000 +SER 14 3.800 0.000 0.000 1.150 0.000 0.000 +SER 15 3.800 0.000 0.000 1.150 0.000 0.000 +GLY 16 3.800 0.000 0.000 0.000 0.000 0.000 +ARG 17 3.800 0.000 0.000 3.020 0.000 0.000 +PRO 18 3.800 0.000 0.000 1.345 0.000 0.000 +PRO 19 3.800 0.000 0.000 1.345 0.000 0.000 +PRO 20 3.800 0.000 0.000 1.345 0.000 0.000 +SER 21 3.800 0.000 0.000 1.150 0.000 0.000 +D 22 3.800 0.000 0.000 0.000 0.000 0.000 + + +******************************************************************************** + Processor 27: end reading molecular data. +******************************************************************************** + + +CSA calculations calculation. + +Conformations will be energy-minimized. +******************************************************************************** + +Waiting for 0.1680 sec +Waiting for 0.1523 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0273 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec + Finishing minim_jlee - signal 0 from master +Waiting for 0.6289 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3906 sec +Waiting for 0.0547 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0195 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.4727 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.1602 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0430 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.4922 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2891 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.4570 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2812 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.1602 sec +Waiting for 0.0000 sec +Waiting for 0.0156 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.5234 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3047 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0352 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.4922 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3008 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3359 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3164 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3359 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3281 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.4531 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2773 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3398 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.4570 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0156 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.5625 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0469 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2539 sec +Waiting for 0.0000 sec +Waiting for 0.1133 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.6172 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0664 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.5391 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.6328 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 2.5664 sec +Waiting for 0.0000 sec +Waiting for 0.2188 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 2.3633 sec +Waiting for 0.0000 sec +Waiting for 0.3594 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3398 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 1.1016 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.3242 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 1.0898 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.7695 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.4180 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 1.3594 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0117 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2617 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3750 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3828 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 1.1992 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2500 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.1836 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3438 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3086 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.4922 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3242 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.3906 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.6016 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 1.2383 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2031 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.4453 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3359 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.5039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 1.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3359 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2930 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3984 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3867 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3711 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.4102 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3086 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3477 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2852 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 1.0195 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3555 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2734 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3438 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.5352 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.4141 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.7148 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2305 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3242 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.4375 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.1328 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3125 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3828 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0977 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3945 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3711 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.5273 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3750 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.4883 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.6680 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.6992 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 1.1953 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.5195 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 1.4297 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 1.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.6250 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.5469 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.5078 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3242 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3672 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3438 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3516 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3906 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0078 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3047 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.4414 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3320 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.3555 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3555 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.4297 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3320 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.4062 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3711 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.5586 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2188 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.5508 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3594 sec + Finishing minim_jlee - signal 0 from master + End of minim, proc 27 time 220.988281250000 +CG processor 27 is finishing work. + Total wall clock time 224.539062500000 sec diff --git a/examples/unres/CSA/GAB/CSA/global/restrained/1l2y_csa.out_GB028 b/examples/unres/CSA/GAB/CSA/global/restrained/1l2y_csa.out_GB028 new file mode 100644 index 0000000..743dbbc --- /dev/null +++ b/examples/unres/CSA/GAB/CSA/global/restrained/1l2y_csa.out_GB028 @@ -0,0 +1,1265 @@ +******************************************************************************** +United-residue force field calculation - parallel job. +******************************************************************************** + MPI: node= 28 iseed= -88732546 + ran_num 0.938817001211222 +RMSDBC = 3.0 +RMSDBC1 = 0.5 +RMSDBC1MAX = 1.5 +DRMS = 0.1 +RMSDBCM = 3.0 +Time limit (min): 960.0 + RESCALE_MODE 0 +Library routine used to diagonalize matrices. + +******************************************************************************** + Options in energy minimization: +******************************************************************************** +MaxMin: 3000 MaxFun: 1000MinMin: 3000 MinFun: 3000 TolF: 1.00000E-02 RTolF: 1.00000E-04 + NCONF_IN 0 + +Energy-term weights (unscaled): + +WSCC= 1.352790 (SC-SC) +WSCP= 1.593040 (SC-p) +WELEC= 0.715340 (p-p electr) +WVDWPP= 0.113710 (p-p VDW) +WBOND= 1.000000 (stretching) +WANG= 1.138730 (bending) +WSCLOC= 0.162580 (SC local) +WTOR= 1.985990 (torsional) +WTORD= 1.570690 (double torsional) +WSTRAIN= 1.000000 (SS bridges & dist. cnstr.) +WEL_LOC= 0.160360 (multi-body 3-rd order) +WCORR4= 0.428870 (multi-body 4th order) +WCORR5= 0.000000 (multi-body 5th order) +WCORR6= 0.000000 (multi-body 6th order) +WSCCOR= 0.000000 (back-scloc correlation) +WTURN3= 1.687220 (turns, 3rd order) +WTURN4= 0.662300 (turns, 4th order) +WTURN6= 0.000000 (turns, 6th order) +WDFA_D= 0.000000 (DFA, distance) +WDFA_T= 0.000000 (DFA, torsional) +WDFA_N= 0.000000 (DFA, number of neighbor) +WDFA_B= 0.000000 (DFA, beta formation) + +Hydrogen-bonding correlation between contact pairs of peptide groups + +Scaling factor of 1,4 SC-p interactions: 0.400 +General scaling factor of SC-p interactions: 1.000 + +Energy-term weights (scaled): + +WSCC= 1.352790 (SC-SC) +WSCP= 1.593040 (SC-p) +WELEC= 0.715340 (p-p electr) +WVDWPP= 0.113710 (p-p VDW) +WBOND= 1.000000 (stretching) +WANG= 1.138730 (bending) +WSCLOC= 0.162580 (SC local) +WTOR= 1.985990 (torsional) +WTORD= 1.570690 (double torsional) +WSTRAIN= 1.000000 (SS bridges & dist. cnstr.) +WEL_LOC= 0.160360 (multi-body 3-rd order) +WCORR4= 0.428870 (multi-body 4th order) +WCORR5= 0.000000 (multi-body 5th order) +WCORR6= 0.000000 (multi-body 6th order) +WSCCOR= 0.000000 (back-scloc correlatkion) +WTURN3= 1.687220 (turns, 3rd order) +WTURN4= 0.662300 (turns, 4th order) +WTURN6= 0.000000 (turns, 6th order) +WDFA_D= 0.000000 (DFA, distance) +WDFA_T= 0.000000 (DFA, torsional) +WDFA_N= 0.000000 (DFA, number of neighbor) +WDFA_B= 0.000000 (DFA, beta formation) + Reference temperature for weights calculation: 300.000000000000 + Parameters of the SS-bond potential: + D0CM 3.78000000000000 AKCM 15.1000000000000 AKTH + 11.0000000000000 AKCT 12.0000000000000 + V1SS -1.08000000000000 V2SS 7.61000000000000 V3SS + 13.7000000000000 + EBR -5.50000000000000 + ITEL + 1 21 0 + 2 14 1 + 3 5 1 + 4 8 1 + 5 4 1 + 6 13 1 + 7 7 1 + 8 5 1 + 9 19 1 + 10 16 1 + 11 10 1 + 12 10 2 + 13 20 1 + 14 12 1 + 15 12 1 + 16 10 1 + 17 18 2 + 18 20 2 + 19 20 2 + 20 20 1 + 21 12 0 + ns= 0 iss: + There are 22 constraints on phi angles. + 1 0.000 180.000 + 2 0.000 180.000 + 3 0.000 180.000 + 4 0.000 180.000 + 5 0.000 180.000 + 6 0.000 180.000 + 7 45.000 5.000 + 8 45.000 5.000 + 9 45.000 5.000 + 10 45.000 5.000 + 11 45.000 5.000 + 12 45.000 5.000 + 13 0.000 180.000 + 14 0.000 180.000 + 15 0.000 180.000 + 16 0.000 180.000 + 17 0.000 180.000 + 18 0.000 180.000 + 19 0.000 180.000 + 20 0.000 180.000 + 21 0.000 180.000 + 22 0.000 180.000 + FTORS 0.000000000000000E+000 + NZ_START= 2 NZ_END= 21 + IZ_SC= 0 + +Geometry of the virtual chain. + Res d Theta Gamma Dsc Alpha Beta +D 1 0.000 0.000 0.000 0.000 0.000 0.000 +ASN 2 3.800 0.000 0.000 1.684 0.000 0.000 +LEU 3 3.800 0.000 0.000 1.939 0.000 0.000 +TYR 4 3.800 0.000 0.000 2.484 0.000 0.000 +ILE 5 3.800 0.000 0.000 1.776 0.000 0.000 +GLN 6 3.800 0.000 0.000 2.240 0.000 0.000 +TRP 7 3.800 0.000 0.000 2.605 0.000 0.000 +LEU 8 3.800 0.000 0.000 1.939 0.000 0.000 +LYS 9 3.800 0.000 0.000 2.541 0.000 0.000 +ASP 10 3.800 0.000 0.000 1.709 0.000 0.000 +GLY 11 3.800 0.000 0.000 0.000 0.000 0.000 +GLY 12 3.800 0.000 0.000 0.000 0.000 0.000 +PRO 13 3.800 0.000 0.000 1.345 0.000 0.000 +SER 14 3.800 0.000 0.000 1.150 0.000 0.000 +SER 15 3.800 0.000 0.000 1.150 0.000 0.000 +GLY 16 3.800 0.000 0.000 0.000 0.000 0.000 +ARG 17 3.800 0.000 0.000 3.020 0.000 0.000 +PRO 18 3.800 0.000 0.000 1.345 0.000 0.000 +PRO 19 3.800 0.000 0.000 1.345 0.000 0.000 +PRO 20 3.800 0.000 0.000 1.345 0.000 0.000 +SER 21 3.800 0.000 0.000 1.150 0.000 0.000 +D 22 3.800 0.000 0.000 0.000 0.000 0.000 + + +******************************************************************************** + Processor 28: end reading molecular data. +******************************************************************************** + + +CSA calculations calculation. + +Conformations will be energy-minimized. +******************************************************************************** + +Waiting for 0.1328 sec +Waiting for 0.0039 sec +Waiting for 0.0820 sec +Waiting for 0.0000 sec +Waiting for 0.0078 sec + Finishing minim_jlee - signal 0 from master +Waiting for 0.6094 sec +Waiting for 0.0000 sec +Waiting for 0.0078 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.4414 sec +Waiting for 0.0664 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0469 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.5273 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2969 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.5039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3047 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.4219 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2852 sec +Waiting for 0.0117 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0430 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2852 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.4805 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2852 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.4219 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.3242 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.4727 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0195 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3750 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3047 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3398 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.4414 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.1836 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3477 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.4453 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.5195 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0547 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.2930 sec +Waiting for 0.0508 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.6406 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.4922 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.6133 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 2.5312 sec +Waiting for 0.1641 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 2.4375 sec +Waiting for 0.0000 sec +Waiting for 0.2227 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3359 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 1.1562 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2539 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 1.0781 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.7930 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.5078 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 1.3477 sec +Waiting for 0.0469 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3281 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3711 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2891 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 1.1680 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.1836 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0078 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3086 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3477 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3516 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.5117 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2773 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.4336 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.5273 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 1.0859 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2461 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.5352 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3711 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0078 sec +Waiting for 0.5430 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 1.1055 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3438 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2305 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.4414 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.4023 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0078 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.3438 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3281 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.1992 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2617 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3711 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 1.0352 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.4492 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3086 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3398 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.5664 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.4414 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.6992 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.1172 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3203 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.4688 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3398 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3438 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.1602 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3242 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.3125 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.4062 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.4688 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.1445 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3438 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.6602 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.6406 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 1.1953 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.4844 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 1.4023 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 1.0586 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.6914 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.5078 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3594 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3398 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2070 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3203 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3242 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3203 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3047 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.5000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3398 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3438 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3477 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3633 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3086 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0078 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.4648 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2227 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.5703 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2734 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.5742 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.5430 sec + Finishing minim_jlee - signal 0 from master + End of minim, proc 28 time 220.984375000000 +CG processor 28 is finishing work. + Total wall clock time 224.531250000000 sec diff --git a/examples/unres/CSA/GAB/CSA/global/restrained/1l2y_csa.out_GB029 b/examples/unres/CSA/GAB/CSA/global/restrained/1l2y_csa.out_GB029 new file mode 100644 index 0000000..e0ff624 --- /dev/null +++ b/examples/unres/CSA/GAB/CSA/global/restrained/1l2y_csa.out_GB029 @@ -0,0 +1,1301 @@ +******************************************************************************** +United-residue force field calculation - parallel job. +******************************************************************************** + MPI: node= 29 iseed= -91792289 + ran_num 0.212569247064002 +RMSDBC = 3.0 +RMSDBC1 = 0.5 +RMSDBC1MAX = 1.5 +DRMS = 0.1 +RMSDBCM = 3.0 +Time limit (min): 960.0 + RESCALE_MODE 0 +Library routine used to diagonalize matrices. + +******************************************************************************** + Options in energy minimization: +******************************************************************************** +MaxMin: 3000 MaxFun: 1000MinMin: 3000 MinFun: 3000 TolF: 1.00000E-02 RTolF: 1.00000E-04 + NCONF_IN 0 + +Energy-term weights (unscaled): + +WSCC= 1.352790 (SC-SC) +WSCP= 1.593040 (SC-p) +WELEC= 0.715340 (p-p electr) +WVDWPP= 0.113710 (p-p VDW) +WBOND= 1.000000 (stretching) +WANG= 1.138730 (bending) +WSCLOC= 0.162580 (SC local) +WTOR= 1.985990 (torsional) +WTORD= 1.570690 (double torsional) +WSTRAIN= 1.000000 (SS bridges & dist. cnstr.) +WEL_LOC= 0.160360 (multi-body 3-rd order) +WCORR4= 0.428870 (multi-body 4th order) +WCORR5= 0.000000 (multi-body 5th order) +WCORR6= 0.000000 (multi-body 6th order) +WSCCOR= 0.000000 (back-scloc correlation) +WTURN3= 1.687220 (turns, 3rd order) +WTURN4= 0.662300 (turns, 4th order) +WTURN6= 0.000000 (turns, 6th order) +WDFA_D= 0.000000 (DFA, distance) +WDFA_T= 0.000000 (DFA, torsional) +WDFA_N= 0.000000 (DFA, number of neighbor) +WDFA_B= 0.000000 (DFA, beta formation) + +Hydrogen-bonding correlation between contact pairs of peptide groups + +Scaling factor of 1,4 SC-p interactions: 0.400 +General scaling factor of SC-p interactions: 1.000 + +Energy-term weights (scaled): + +WSCC= 1.352790 (SC-SC) +WSCP= 1.593040 (SC-p) +WELEC= 0.715340 (p-p electr) +WVDWPP= 0.113710 (p-p VDW) +WBOND= 1.000000 (stretching) +WANG= 1.138730 (bending) +WSCLOC= 0.162580 (SC local) +WTOR= 1.985990 (torsional) +WTORD= 1.570690 (double torsional) +WSTRAIN= 1.000000 (SS bridges & dist. cnstr.) +WEL_LOC= 0.160360 (multi-body 3-rd order) +WCORR4= 0.428870 (multi-body 4th order) +WCORR5= 0.000000 (multi-body 5th order) +WCORR6= 0.000000 (multi-body 6th order) +WSCCOR= 0.000000 (back-scloc correlatkion) +WTURN3= 1.687220 (turns, 3rd order) +WTURN4= 0.662300 (turns, 4th order) +WTURN6= 0.000000 (turns, 6th order) +WDFA_D= 0.000000 (DFA, distance) +WDFA_T= 0.000000 (DFA, torsional) +WDFA_N= 0.000000 (DFA, number of neighbor) +WDFA_B= 0.000000 (DFA, beta formation) + Reference temperature for weights calculation: 300.000000000000 + Parameters of the SS-bond potential: + D0CM 3.78000000000000 AKCM 15.1000000000000 AKTH + 11.0000000000000 AKCT 12.0000000000000 + V1SS -1.08000000000000 V2SS 7.61000000000000 V3SS + 13.7000000000000 + EBR -5.50000000000000 + ITEL + 1 21 0 + 2 14 1 + 3 5 1 + 4 8 1 + 5 4 1 + 6 13 1 + 7 7 1 + 8 5 1 + 9 19 1 + 10 16 1 + 11 10 1 + 12 10 2 + 13 20 1 + 14 12 1 + 15 12 1 + 16 10 1 + 17 18 2 + 18 20 2 + 19 20 2 + 20 20 1 + 21 12 0 + ns= 0 iss: + There are 22 constraints on phi angles. + 1 0.000 180.000 + 2 0.000 180.000 + 3 0.000 180.000 + 4 0.000 180.000 + 5 0.000 180.000 + 6 0.000 180.000 + 7 45.000 5.000 + 8 45.000 5.000 + 9 45.000 5.000 + 10 45.000 5.000 + 11 45.000 5.000 + 12 45.000 5.000 + 13 0.000 180.000 + 14 0.000 180.000 + 15 0.000 180.000 + 16 0.000 180.000 + 17 0.000 180.000 + 18 0.000 180.000 + 19 0.000 180.000 + 20 0.000 180.000 + 21 0.000 180.000 + 22 0.000 180.000 + FTORS 0.000000000000000E+000 + NZ_START= 2 NZ_END= 21 + IZ_SC= 0 + +Geometry of the virtual chain. + Res d Theta Gamma Dsc Alpha Beta +D 1 0.000 0.000 0.000 0.000 0.000 0.000 +ASN 2 3.800 0.000 0.000 1.684 0.000 0.000 +LEU 3 3.800 0.000 0.000 1.939 0.000 0.000 +TYR 4 3.800 0.000 0.000 2.484 0.000 0.000 +ILE 5 3.800 0.000 0.000 1.776 0.000 0.000 +GLN 6 3.800 0.000 0.000 2.240 0.000 0.000 +TRP 7 3.800 0.000 0.000 2.605 0.000 0.000 +LEU 8 3.800 0.000 0.000 1.939 0.000 0.000 +LYS 9 3.800 0.000 0.000 2.541 0.000 0.000 +ASP 10 3.800 0.000 0.000 1.709 0.000 0.000 +GLY 11 3.800 0.000 0.000 0.000 0.000 0.000 +GLY 12 3.800 0.000 0.000 0.000 0.000 0.000 +PRO 13 3.800 0.000 0.000 1.345 0.000 0.000 +SER 14 3.800 0.000 0.000 1.150 0.000 0.000 +SER 15 3.800 0.000 0.000 1.150 0.000 0.000 +GLY 16 3.800 0.000 0.000 0.000 0.000 0.000 +ARG 17 3.800 0.000 0.000 3.020 0.000 0.000 +PRO 18 3.800 0.000 0.000 1.345 0.000 0.000 +PRO 19 3.800 0.000 0.000 1.345 0.000 0.000 +PRO 20 3.800 0.000 0.000 1.345 0.000 0.000 +SER 21 3.800 0.000 0.000 1.150 0.000 0.000 +D 22 3.800 0.000 0.000 0.000 0.000 0.000 + + +******************************************************************************** + Processor 29: end reading molecular data. +******************************************************************************** + + +CSA calculations calculation. + +Conformations will be energy-minimized. +******************************************************************************** + +Waiting for 0.1406 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec + Finishing minim_jlee - signal 0 from master +Waiting for 0.6133 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.4492 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0078 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.4922 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2422 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.4453 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3242 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.4062 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2617 sec +Waiting for 0.0000 sec +Waiting for 0.0234 sec +Waiting for 0.0156 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2852 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.4844 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.2773 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0547 sec +Waiting for 0.0000 sec +Waiting for 0.4336 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2461 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.4414 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3672 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3750 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.1523 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2031 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2969 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3398 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.4492 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.5508 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3555 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.6133 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.4688 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.5977 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0078 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 2.5664 sec +Waiting for 0.0234 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 2.3008 sec +Waiting for 0.3281 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2578 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.9961 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3125 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 1.1523 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.7227 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3359 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 1.3203 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.1992 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3555 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3086 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 1.0703 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2695 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2773 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2969 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3086 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.4961 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3125 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3633 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.6680 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 1.2383 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0117 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.5312 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3906 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.4531 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 1.0430 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3359 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3516 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3984 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3672 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2812 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3867 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3477 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3477 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0078 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3672 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 1.0312 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.4570 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3203 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3164 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.4961 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.4414 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.5703 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.1797 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2305 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.4961 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3359 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3008 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3477 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3125 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0078 sec +Waiting for 0.0000 sec +Waiting for 0.3750 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2891 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.5273 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3984 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.4258 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.5508 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.6602 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 1.2109 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.4688 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 1.3867 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.9609 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.5859 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.5664 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.5352 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2734 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3359 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3984 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3789 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3750 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3320 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.4961 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3320 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3203 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3281 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.3633 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3086 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3125 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3398 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.5234 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2617 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.5312 sec +Waiting for 0.0000 sec +Waiting for 0.0078 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.5117 sec + Finishing minim_jlee - signal 0 from master + End of minim, proc 29 time 220.984375000000 +CG processor 29 is finishing work. + Total wall clock time 224.523437500000 sec diff --git a/examples/unres/CSA/GAB/CSA/global/restrained/1l2y_csa.out_GB030 b/examples/unres/CSA/GAB/CSA/global/restrained/1l2y_csa.out_GB030 new file mode 100644 index 0000000..532ba3e --- /dev/null +++ b/examples/unres/CSA/GAB/CSA/global/restrained/1l2y_csa.out_GB030 @@ -0,0 +1,1282 @@ +******************************************************************************** +United-residue force field calculation - parallel job. +******************************************************************************** + MPI: node= 30 iseed= -94852032 + ran_num 0.486321492916781 +RMSDBC = 3.0 +RMSDBC1 = 0.5 +RMSDBC1MAX = 1.5 +DRMS = 0.1 +RMSDBCM = 3.0 +Time limit (min): 960.0 + RESCALE_MODE 0 +Library routine used to diagonalize matrices. + +******************************************************************************** + Options in energy minimization: +******************************************************************************** +MaxMin: 3000 MaxFun: 1000MinMin: 3000 MinFun: 3000 TolF: 1.00000E-02 RTolF: 1.00000E-04 + NCONF_IN 0 + +Energy-term weights (unscaled): + +WSCC= 1.352790 (SC-SC) +WSCP= 1.593040 (SC-p) +WELEC= 0.715340 (p-p electr) +WVDWPP= 0.113710 (p-p VDW) +WBOND= 1.000000 (stretching) +WANG= 1.138730 (bending) +WSCLOC= 0.162580 (SC local) +WTOR= 1.985990 (torsional) +WTORD= 1.570690 (double torsional) +WSTRAIN= 1.000000 (SS bridges & dist. cnstr.) +WEL_LOC= 0.160360 (multi-body 3-rd order) +WCORR4= 0.428870 (multi-body 4th order) +WCORR5= 0.000000 (multi-body 5th order) +WCORR6= 0.000000 (multi-body 6th order) +WSCCOR= 0.000000 (back-scloc correlation) +WTURN3= 1.687220 (turns, 3rd order) +WTURN4= 0.662300 (turns, 4th order) +WTURN6= 0.000000 (turns, 6th order) +WDFA_D= 0.000000 (DFA, distance) +WDFA_T= 0.000000 (DFA, torsional) +WDFA_N= 0.000000 (DFA, number of neighbor) +WDFA_B= 0.000000 (DFA, beta formation) + +Hydrogen-bonding correlation between contact pairs of peptide groups + +Scaling factor of 1,4 SC-p interactions: 0.400 +General scaling factor of SC-p interactions: 1.000 + +Energy-term weights (scaled): + +WSCC= 1.352790 (SC-SC) +WSCP= 1.593040 (SC-p) +WELEC= 0.715340 (p-p electr) +WVDWPP= 0.113710 (p-p VDW) +WBOND= 1.000000 (stretching) +WANG= 1.138730 (bending) +WSCLOC= 0.162580 (SC local) +WTOR= 1.985990 (torsional) +WTORD= 1.570690 (double torsional) +WSTRAIN= 1.000000 (SS bridges & dist. cnstr.) +WEL_LOC= 0.160360 (multi-body 3-rd order) +WCORR4= 0.428870 (multi-body 4th order) +WCORR5= 0.000000 (multi-body 5th order) +WCORR6= 0.000000 (multi-body 6th order) +WSCCOR= 0.000000 (back-scloc correlatkion) +WTURN3= 1.687220 (turns, 3rd order) +WTURN4= 0.662300 (turns, 4th order) +WTURN6= 0.000000 (turns, 6th order) +WDFA_D= 0.000000 (DFA, distance) +WDFA_T= 0.000000 (DFA, torsional) +WDFA_N= 0.000000 (DFA, number of neighbor) +WDFA_B= 0.000000 (DFA, beta formation) + Reference temperature for weights calculation: 300.000000000000 + Parameters of the SS-bond potential: + D0CM 3.78000000000000 AKCM 15.1000000000000 AKTH + 11.0000000000000 AKCT 12.0000000000000 + V1SS -1.08000000000000 V2SS 7.61000000000000 V3SS + 13.7000000000000 + EBR -5.50000000000000 + ITEL + 1 21 0 + 2 14 1 + 3 5 1 + 4 8 1 + 5 4 1 + 6 13 1 + 7 7 1 + 8 5 1 + 9 19 1 + 10 16 1 + 11 10 1 + 12 10 2 + 13 20 1 + 14 12 1 + 15 12 1 + 16 10 1 + 17 18 2 + 18 20 2 + 19 20 2 + 20 20 1 + 21 12 0 + ns= 0 iss: + There are 22 constraints on phi angles. + 1 0.000 180.000 + 2 0.000 180.000 + 3 0.000 180.000 + 4 0.000 180.000 + 5 0.000 180.000 + 6 0.000 180.000 + 7 45.000 5.000 + 8 45.000 5.000 + 9 45.000 5.000 + 10 45.000 5.000 + 11 45.000 5.000 + 12 45.000 5.000 + 13 0.000 180.000 + 14 0.000 180.000 + 15 0.000 180.000 + 16 0.000 180.000 + 17 0.000 180.000 + 18 0.000 180.000 + 19 0.000 180.000 + 20 0.000 180.000 + 21 0.000 180.000 + 22 0.000 180.000 + FTORS 0.000000000000000E+000 + NZ_START= 2 NZ_END= 21 + IZ_SC= 0 + +Geometry of the virtual chain. + Res d Theta Gamma Dsc Alpha Beta +D 1 0.000 0.000 0.000 0.000 0.000 0.000 +ASN 2 3.800 0.000 0.000 1.684 0.000 0.000 +LEU 3 3.800 0.000 0.000 1.939 0.000 0.000 +TYR 4 3.800 0.000 0.000 2.484 0.000 0.000 +ILE 5 3.800 0.000 0.000 1.776 0.000 0.000 +GLN 6 3.800 0.000 0.000 2.240 0.000 0.000 +TRP 7 3.800 0.000 0.000 2.605 0.000 0.000 +LEU 8 3.800 0.000 0.000 1.939 0.000 0.000 +LYS 9 3.800 0.000 0.000 2.541 0.000 0.000 +ASP 10 3.800 0.000 0.000 1.709 0.000 0.000 +GLY 11 3.800 0.000 0.000 0.000 0.000 0.000 +GLY 12 3.800 0.000 0.000 0.000 0.000 0.000 +PRO 13 3.800 0.000 0.000 1.345 0.000 0.000 +SER 14 3.800 0.000 0.000 1.150 0.000 0.000 +SER 15 3.800 0.000 0.000 1.150 0.000 0.000 +GLY 16 3.800 0.000 0.000 0.000 0.000 0.000 +ARG 17 3.800 0.000 0.000 3.020 0.000 0.000 +PRO 18 3.800 0.000 0.000 1.345 0.000 0.000 +PRO 19 3.800 0.000 0.000 1.345 0.000 0.000 +PRO 20 3.800 0.000 0.000 1.345 0.000 0.000 +SER 21 3.800 0.000 0.000 1.150 0.000 0.000 +D 22 3.800 0.000 0.000 0.000 0.000 0.000 + + +******************************************************************************** + Processor 30: end reading molecular data. +******************************************************************************** + + +CSA calculations calculation. + +Conformations will be energy-minimized. +******************************************************************************** + +Waiting for 0.1523 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.1055 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec + Finishing minim_jlee - signal 0 from master +Waiting for 0.0000 sec +Waiting for 0.0508 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0273 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.5000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.3125 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.4961 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2969 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.4648 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3086 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.2812 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.4961 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2891 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0742 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.4883 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3086 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.4844 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3750 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3906 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2812 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3984 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3125 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3008 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.4453 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.5703 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3594 sec +Waiting for 0.0000 sec +Waiting for 0.0586 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.5352 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.4453 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.5469 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 2.5430 sec +Waiting for 0.2891 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 2.3438 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.1875 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3398 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 1.0547 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3281 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 1.0352 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.6797 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.4688 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 1.3047 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3008 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.3633 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.3281 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 1.1367 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2383 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2891 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2969 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3672 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.5078 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3164 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.4297 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.6484 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 1.2422 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.1484 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.4570 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3906 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.5078 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 1.1133 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3398 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3398 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3711 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2695 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3438 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.4219 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3281 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3125 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3633 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 1.0508 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.4258 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3477 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3477 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.5664 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3516 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.6680 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2930 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3203 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.4141 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2539 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3242 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.4023 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2656 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3984 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2422 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.4531 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2188 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.4844 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.4531 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.7070 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 1.2305 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.4922 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 1.4453 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 1.0430 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.6758 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.5898 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.4062 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2344 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3008 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2891 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3242 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3438 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2891 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.4102 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3125 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3320 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2461 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3945 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2227 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.4570 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.1992 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.5195 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2852 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.5312 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.6445 sec + Finishing minim_jlee - signal 0 from master + End of minim, proc 30 time 218.074218750000 +CG processor 30 is finishing work. + Total wall clock time 224.523437500000 sec diff --git a/examples/unres/CSA/GAB/CSA/global/restrained/1l2y_csa.out_GB031 b/examples/unres/CSA/GAB/CSA/global/restrained/1l2y_csa.out_GB031 new file mode 100644 index 0000000..60d40c9 --- /dev/null +++ b/examples/unres/CSA/GAB/CSA/global/restrained/1l2y_csa.out_GB031 @@ -0,0 +1,1259 @@ +******************************************************************************** +United-residue force field calculation - parallel job. +******************************************************************************** + MPI: node= 31 iseed= -97911775 + ran_num 0.760073738769561 +RMSDBC = 3.0 +RMSDBC1 = 0.5 +RMSDBC1MAX = 1.5 +DRMS = 0.1 +RMSDBCM = 3.0 +Time limit (min): 960.0 + RESCALE_MODE 0 +Library routine used to diagonalize matrices. + +******************************************************************************** + Options in energy minimization: +******************************************************************************** +MaxMin: 3000 MaxFun: 1000MinMin: 3000 MinFun: 3000 TolF: 1.00000E-02 RTolF: 1.00000E-04 + NCONF_IN 0 + +Energy-term weights (unscaled): + +WSCC= 1.352790 (SC-SC) +WSCP= 1.593040 (SC-p) +WELEC= 0.715340 (p-p electr) +WVDWPP= 0.113710 (p-p VDW) +WBOND= 1.000000 (stretching) +WANG= 1.138730 (bending) +WSCLOC= 0.162580 (SC local) +WTOR= 1.985990 (torsional) +WTORD= 1.570690 (double torsional) +WSTRAIN= 1.000000 (SS bridges & dist. cnstr.) +WEL_LOC= 0.160360 (multi-body 3-rd order) +WCORR4= 0.428870 (multi-body 4th order) +WCORR5= 0.000000 (multi-body 5th order) +WCORR6= 0.000000 (multi-body 6th order) +WSCCOR= 0.000000 (back-scloc correlation) +WTURN3= 1.687220 (turns, 3rd order) +WTURN4= 0.662300 (turns, 4th order) +WTURN6= 0.000000 (turns, 6th order) +WDFA_D= 0.000000 (DFA, distance) +WDFA_T= 0.000000 (DFA, torsional) +WDFA_N= 0.000000 (DFA, number of neighbor) +WDFA_B= 0.000000 (DFA, beta formation) + +Hydrogen-bonding correlation between contact pairs of peptide groups + +Scaling factor of 1,4 SC-p interactions: 0.400 +General scaling factor of SC-p interactions: 1.000 + +Energy-term weights (scaled): + +WSCC= 1.352790 (SC-SC) +WSCP= 1.593040 (SC-p) +WELEC= 0.715340 (p-p electr) +WVDWPP= 0.113710 (p-p VDW) +WBOND= 1.000000 (stretching) +WANG= 1.138730 (bending) +WSCLOC= 0.162580 (SC local) +WTOR= 1.985990 (torsional) +WTORD= 1.570690 (double torsional) +WSTRAIN= 1.000000 (SS bridges & dist. cnstr.) +WEL_LOC= 0.160360 (multi-body 3-rd order) +WCORR4= 0.428870 (multi-body 4th order) +WCORR5= 0.000000 (multi-body 5th order) +WCORR6= 0.000000 (multi-body 6th order) +WSCCOR= 0.000000 (back-scloc correlatkion) +WTURN3= 1.687220 (turns, 3rd order) +WTURN4= 0.662300 (turns, 4th order) +WTURN6= 0.000000 (turns, 6th order) +WDFA_D= 0.000000 (DFA, distance) +WDFA_T= 0.000000 (DFA, torsional) +WDFA_N= 0.000000 (DFA, number of neighbor) +WDFA_B= 0.000000 (DFA, beta formation) + Reference temperature for weights calculation: 300.000000000000 + Parameters of the SS-bond potential: + D0CM 3.78000000000000 AKCM 15.1000000000000 AKTH + 11.0000000000000 AKCT 12.0000000000000 + V1SS -1.08000000000000 V2SS 7.61000000000000 V3SS + 13.7000000000000 + EBR -5.50000000000000 + ITEL + 1 21 0 + 2 14 1 + 3 5 1 + 4 8 1 + 5 4 1 + 6 13 1 + 7 7 1 + 8 5 1 + 9 19 1 + 10 16 1 + 11 10 1 + 12 10 2 + 13 20 1 + 14 12 1 + 15 12 1 + 16 10 1 + 17 18 2 + 18 20 2 + 19 20 2 + 20 20 1 + 21 12 0 + ns= 0 iss: + There are 22 constraints on phi angles. + 1 0.000 180.000 + 2 0.000 180.000 + 3 0.000 180.000 + 4 0.000 180.000 + 5 0.000 180.000 + 6 0.000 180.000 + 7 45.000 5.000 + 8 45.000 5.000 + 9 45.000 5.000 + 10 45.000 5.000 + 11 45.000 5.000 + 12 45.000 5.000 + 13 0.000 180.000 + 14 0.000 180.000 + 15 0.000 180.000 + 16 0.000 180.000 + 17 0.000 180.000 + 18 0.000 180.000 + 19 0.000 180.000 + 20 0.000 180.000 + 21 0.000 180.000 + 22 0.000 180.000 + FTORS 0.000000000000000E+000 + NZ_START= 2 NZ_END= 21 + IZ_SC= 0 + +Geometry of the virtual chain. + Res d Theta Gamma Dsc Alpha Beta +D 1 0.000 0.000 0.000 0.000 0.000 0.000 +ASN 2 3.800 0.000 0.000 1.684 0.000 0.000 +LEU 3 3.800 0.000 0.000 1.939 0.000 0.000 +TYR 4 3.800 0.000 0.000 2.484 0.000 0.000 +ILE 5 3.800 0.000 0.000 1.776 0.000 0.000 +GLN 6 3.800 0.000 0.000 2.240 0.000 0.000 +TRP 7 3.800 0.000 0.000 2.605 0.000 0.000 +LEU 8 3.800 0.000 0.000 1.939 0.000 0.000 +LYS 9 3.800 0.000 0.000 2.541 0.000 0.000 +ASP 10 3.800 0.000 0.000 1.709 0.000 0.000 +GLY 11 3.800 0.000 0.000 0.000 0.000 0.000 +GLY 12 3.800 0.000 0.000 0.000 0.000 0.000 +PRO 13 3.800 0.000 0.000 1.345 0.000 0.000 +SER 14 3.800 0.000 0.000 1.150 0.000 0.000 +SER 15 3.800 0.000 0.000 1.150 0.000 0.000 +GLY 16 3.800 0.000 0.000 0.000 0.000 0.000 +ARG 17 3.800 0.000 0.000 3.020 0.000 0.000 +PRO 18 3.800 0.000 0.000 1.345 0.000 0.000 +PRO 19 3.800 0.000 0.000 1.345 0.000 0.000 +PRO 20 3.800 0.000 0.000 1.345 0.000 0.000 +SER 21 3.800 0.000 0.000 1.150 0.000 0.000 +D 22 3.800 0.000 0.000 0.000 0.000 0.000 + + +******************************************************************************** + Processor 31: end reading molecular data. +******************************************************************************** + + +CSA calculations calculation. + +Conformations will be energy-minimized. +******************************************************************************** + +Waiting for 0.1289 sec +Waiting for 0.0547 sec +Waiting for 0.0000 sec +Waiting for 0.0664 sec +Waiting for 0.0000 sec +Waiting for 0.0117 sec + Finishing minim_jlee - signal 0 from master +Waiting for 0.6055 sec +Waiting for 0.0508 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.4062 sec +Waiting for 0.0000 sec +Waiting for 0.0547 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3672 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.3086 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.5078 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2188 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.4453 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3008 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0352 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0234 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3008 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.5273 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2930 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.4531 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3242 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0508 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.4219 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3750 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3828 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3281 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.4570 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3008 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2188 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3711 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.5469 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3320 sec +Waiting for 0.0000 sec +Waiting for 0.0625 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.6797 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0586 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.5195 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.5938 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 2.5469 sec +Waiting for 0.3125 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 2.4102 sec +Waiting for 0.0000 sec +Waiting for 0.0859 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.1953 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 1.1562 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3203 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 1.1172 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.7969 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.5156 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 1.3164 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3203 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3477 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3594 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 1.2031 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2656 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2656 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2773 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3555 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.5039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3281 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.4141 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.6719 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 1.2070 sec +Waiting for 0.0000 sec +Waiting for 0.2109 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.5352 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.4180 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.5000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 1.0586 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.3477 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3320 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.4102 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3672 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3320 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.4219 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3359 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3125 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2773 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.9922 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.4648 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3242 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3242 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.5234 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3633 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.6602 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3086 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2930 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.4414 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.1484 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3477 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3867 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2930 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3945 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3828 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.5078 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.4062 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.5156 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.6523 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.6445 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 1.0625 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3828 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 1.4648 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 1.0195 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.6094 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.5859 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.5312 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3906 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2969 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2852 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0078 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3320 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.4180 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3320 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.4453 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3047 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3672 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2852 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.4297 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3047 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.4141 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3789 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.5586 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2422 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.5586 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.6523 sec + Finishing minim_jlee - signal 0 from master + End of minim, proc 31 time 220.984375000000 +CG processor 31 is finishing work. + Total wall clock time 224.535156250000 sec diff --git a/examples/unres/CSA/GAB/CSA/global/restrained/1l2y_csa@001.pdb b/examples/unres/CSA/GAB/CSA/global/restrained/1l2y_csa@001.pdb new file mode 100644 index 0000000..fde849b --- /dev/null +++ b/examples/unres/CSA/GAB/CSA/global/restrained/1l2y_csa@001.pdb @@ -0,0 +1,61 @@ +REMARK GM 1 e 221 m 1 ENERGY -5.90362E+01 +HELIX 1 H1 TYR 3 ASP 9 1 6 +ATOM 1 CA ASN 1 3.800 0.000 0.000 0.000 +ATOM 2 CB ASN 1 4.012 1.619 0.411 0.000 +ATOM 3 CA LEU 2 5.499 -3.399 0.000 0.000 +ATOM 4 CB LEU 2 5.681 -5.114 -0.886 0.000 +ATOM 5 CA TYR 3 8.701 -3.696 2.025 0.000 +ATOM 6 CB TYR 3 7.728 -2.788 4.122 0.000 +ATOM 7 CA ILE 4 8.907 -7.438 1.396 0.000 +ATOM 8 CB ILE 4 7.698 -8.468 2.190 0.000 +ATOM 9 CA GLN 5 10.081 -6.783 -2.159 0.000 +ATOM 10 CB GLN 5 9.518 -4.787 -3.005 0.000 +ATOM 11 CA TRP 6 12.410 -4.051 -0.913 0.000 +ATOM 12 CB TRP 6 14.244 -2.908 -2.368 0.000 +ATOM 13 CA LEU 7 13.613 -6.263 1.933 0.000 +ATOM 14 CB LEU 7 12.499 -5.552 3.352 0.000 +ATOM 15 CA LYS 8 14.122 -9.176 -0.453 0.000 +ATOM 16 CB LYS 8 12.117 -10.511 0.355 0.000 +ATOM 17 CA ASP 9 15.844 -6.948 -3.006 0.000 +ATOM 18 CB ASP 9 14.482 -6.471 -3.922 0.000 +ATOM 19 CA GLY 10 19.233 -7.029 -1.290 0.000 +ATOM 20 CA GLY 11 18.062 -6.545 2.293 0.000 +ATOM 21 CA PRO 12 17.388 -10.252 2.784 0.000 +ATOM 22 CB PRO 12 16.102 -9.926 3.002 0.000 +ATOM 23 CA SER 13 20.561 -11.093 0.868 0.000 +ATOM 24 CB SER 13 20.385 -10.823 -0.236 0.000 +ATOM 25 CA SER 14 22.663 -9.107 3.334 0.000 +ATOM 26 CB SER 14 21.545 -8.923 3.527 0.000 +ATOM 27 CA GLY 15 26.351 -9.998 3.546 0.000 +ATOM 28 CA ARG 16 27.709 -13.312 4.816 0.000 +ATOM 29 CB ARG 16 29.678 -13.697 7.074 0.000 +ATOM 30 CA PRO 17 25.851 -15.788 7.019 0.000 +ATOM 31 CB PRO 17 26.443 -16.616 6.140 0.000 +ATOM 32 CA PRO 18 26.122 -15.482 10.797 0.000 +ATOM 33 CB PRO 18 26.788 -14.364 10.457 0.000 +ATOM 34 CA PRO 19 23.124 -15.650 13.126 0.000 +ATOM 35 CB PRO 19 23.788 -16.731 13.570 0.000 +ATOM 36 CA SER 20 21.955 -12.627 15.109 0.000 +ATOM 37 CB SER 20 22.468 -12.458 16.124 0.000 +TER +CONECT 1 3 2 +CONECT 3 5 4 +CONECT 5 7 6 +CONECT 7 9 8 +CONECT 9 11 10 +CONECT 11 13 12 +CONECT 13 15 14 +CONECT 15 17 16 +CONECT 17 19 18 +CONECT 19 20 +CONECT 20 21 +CONECT 21 23 22 +CONECT 23 25 24 +CONECT 25 27 26 +CONECT 27 28 +CONECT 28 30 29 +CONECT 30 32 31 +CONECT 32 34 33 +CONECT 34 36 35 +CONECT 36 37 +ENDMDL diff --git a/examples/unres/CSA/GAB/CSA/global/restrained/1l2y_csa@002.pdb b/examples/unres/CSA/GAB/CSA/global/restrained/1l2y_csa@002.pdb new file mode 100644 index 0000000..cbdd1df --- /dev/null +++ b/examples/unres/CSA/GAB/CSA/global/restrained/1l2y_csa@002.pdb @@ -0,0 +1,61 @@ +REMARK GM 2 e 3364 m 9 ENERGY -6.36426E+01 +HELIX 1 H1 LEU 2 GLY 11 1 9 +ATOM 1 CA ASN 1 3.800 0.000 0.000 0.000 +ATOM 2 CB ASN 1 5.467 0.111 0.212 0.000 +ATOM 3 CA LEU 2 4.066 -3.791 0.000 0.000 +ATOM 4 CB LEU 2 3.436 -4.472 1.703 0.000 +ATOM 5 CA TYR 3 4.160 -3.913 -3.797 0.000 +ATOM 6 CB TYR 3 4.119 -2.841 -6.037 0.000 +ATOM 7 CA ILE 4 7.619 -2.341 -3.741 0.000 +ATOM 8 CB ILE 4 7.874 -0.585 -3.662 0.000 +ATOM 9 CA GLN 5 8.860 -5.326 -1.743 0.000 +ATOM 10 CB GLN 5 7.174 -6.435 -0.772 0.000 +ATOM 11 CA TRP 6 7.224 -7.647 -4.269 0.000 +ATOM 12 CB TRP 6 7.147 -10.181 -3.671 0.000 +ATOM 13 CA LEU 7 8.378 -5.415 -7.120 0.000 +ATOM 14 CB LEU 7 8.219 -3.682 -7.975 0.000 +ATOM 15 CA LYS 8 11.966 -5.625 -5.888 0.000 +ATOM 16 CB LYS 8 12.079 -3.173 -5.228 0.000 +ATOM 17 CA ASP 9 11.590 -9.315 -5.061 0.000 +ATOM 18 CB ASP 9 11.105 -9.422 -3.426 0.000 +ATOM 19 CA GLY 10 10.637 -10.213 -8.628 0.000 +ATOM 20 CA GLY 11 10.924 -8.247 -11.867 0.000 +ATOM 21 CA PRO 12 9.506 -4.984 -13.202 0.000 +ATOM 22 CB PRO 12 9.722 -5.570 -14.393 0.000 +ATOM 23 CA SER 13 6.187 -3.290 -12.456 0.000 +ATOM 24 CB SER 13 5.603 -3.719 -11.564 0.000 +ATOM 25 CA SER 14 6.096 0.224 -11.013 0.000 +ATOM 26 CB SER 14 5.577 1.075 -11.588 0.000 +ATOM 27 CA GLY 15 5.852 1.107 -7.326 0.000 +ATOM 28 CA ARG 16 4.966 4.115 -5.179 0.000 +ATOM 29 CB ARG 16 4.204 1.510 -3.854 0.000 +ATOM 30 CA PRO 17 7.767 6.298 -3.825 0.000 +ATOM 31 CB PRO 17 6.892 7.201 -4.303 0.000 +ATOM 32 CA PRO 18 7.735 5.538 -0.102 0.000 +ATOM 33 CB PRO 18 6.929 4.563 -0.560 0.000 +ATOM 34 CA PRO 19 11.484 4.926 0.026 0.000 +ATOM 35 CB PRO 19 11.228 4.678 -1.271 0.000 +ATOM 36 CA SER 20 13.456 7.039 2.493 0.000 +ATOM 37 CB SER 20 13.551 8.045 1.945 0.000 +TER +CONECT 1 3 2 +CONECT 3 5 4 +CONECT 5 7 6 +CONECT 7 9 8 +CONECT 9 11 10 +CONECT 11 13 12 +CONECT 13 15 14 +CONECT 15 17 16 +CONECT 17 19 18 +CONECT 19 20 +CONECT 20 21 +CONECT 21 23 22 +CONECT 23 25 24 +CONECT 25 27 26 +CONECT 27 28 +CONECT 28 30 29 +CONECT 30 32 31 +CONECT 32 34 33 +CONECT 34 36 35 +CONECT 36 37 +ENDMDL diff --git a/examples/unres/CSA/GAB/CSA/global/restrained/1l2y_csa@003.pdb b/examples/unres/CSA/GAB/CSA/global/restrained/1l2y_csa@003.pdb new file mode 100644 index 0000000..78519c3 --- /dev/null +++ b/examples/unres/CSA/GAB/CSA/global/restrained/1l2y_csa@003.pdb @@ -0,0 +1,61 @@ +REMARK GM 3 e 4496 m 11 ENERGY -7.11986E+01 +HELIX 1 H1 ILE 4 GLY 10 1 6 +ATOM 1 CA ASN 1 3.800 0.000 0.000 0.000 +ATOM 2 CB ASN 1 4.370 0.201 1.572 0.000 +ATOM 3 CA LEU 2 5.695 -3.294 0.000 0.000 +ATOM 4 CB LEU 2 5.763 -4.106 -1.759 0.000 +ATOM 5 CA TYR 3 7.271 -2.513 3.369 0.000 +ATOM 6 CB TYR 3 8.067 -0.945 5.122 0.000 +ATOM 7 CA ILE 4 3.909 -2.936 5.088 0.000 +ATOM 8 CB ILE 4 2.719 -3.271 3.813 0.000 +ATOM 9 CA GLN 5 5.469 -5.447 7.476 0.000 +ATOM 10 CB GLN 5 5.772 -6.903 5.801 0.000 +ATOM 11 CA TRP 6 7.731 -2.683 8.774 0.000 +ATOM 12 CB TRP 6 8.360 -0.631 10.250 0.000 +ATOM 13 CA LEU 7 4.749 -0.330 8.868 0.000 +ATOM 14 CB LEU 7 4.839 1.225 7.714 0.000 +ATOM 15 CA LYS 8 3.090 -2.554 11.465 0.000 +ATOM 16 CB LYS 8 1.219 -3.223 9.882 0.000 +ATOM 17 CA ASP 9 6.432 -3.455 13.035 0.000 +ATOM 18 CB ASP 9 7.153 -4.567 11.955 0.000 +ATOM 19 CA GLY 10 6.879 0.035 14.471 0.000 +ATOM 20 CA GLY 11 6.022 3.097 12.392 0.000 +ATOM 21 CA PRO 12 8.168 3.759 9.327 0.000 +ATOM 22 CB PRO 12 8.277 5.023 9.772 0.000 +ATOM 23 CA SER 13 11.382 1.825 9.940 0.000 +ATOM 24 CB SER 13 12.335 2.440 9.751 0.000 +ATOM 25 CA SER 14 11.386 2.312 13.708 0.000 +ATOM 26 CB SER 14 12.131 2.352 14.584 0.000 +ATOM 27 CA GLY 15 10.422 5.983 13.516 0.000 +ATOM 28 CA ARG 16 8.001 8.754 12.566 0.000 +ATOM 29 CB ARG 16 8.023 11.763 12.820 0.000 +ATOM 30 CA PRO 17 5.641 8.749 9.588 0.000 +ATOM 31 CB PRO 17 5.200 9.883 10.161 0.000 +ATOM 32 CA PRO 18 7.103 8.924 6.084 0.000 +ATOM 33 CB PRO 18 6.853 7.605 6.162 0.000 +ATOM 34 CA PRO 19 6.459 12.085 4.076 0.000 +ATOM 35 CB PRO 19 7.762 12.410 4.004 0.000 +ATOM 36 CA SER 20 5.926 10.184 0.829 0.000 +ATOM 37 CB SER 20 6.354 9.120 0.913 0.000 +TER +CONECT 1 3 2 +CONECT 3 5 4 +CONECT 5 7 6 +CONECT 7 9 8 +CONECT 9 11 10 +CONECT 11 13 12 +CONECT 13 15 14 +CONECT 15 17 16 +CONECT 17 19 18 +CONECT 19 20 +CONECT 20 21 +CONECT 21 23 22 +CONECT 23 25 24 +CONECT 25 27 26 +CONECT 27 28 +CONECT 28 30 29 +CONECT 30 32 31 +CONECT 32 34 33 +CONECT 34 36 35 +CONECT 36 37 +ENDMDL diff --git a/examples/unres/CSA/GAB/CSA/global/restrained/1l2y_csa@004.pdb b/examples/unres/CSA/GAB/CSA/global/restrained/1l2y_csa@004.pdb new file mode 100644 index 0000000..7dc7eb0 --- /dev/null +++ b/examples/unres/CSA/GAB/CSA/global/restrained/1l2y_csa@004.pdb @@ -0,0 +1,60 @@ +REMARK GM 4 e 7670 m 16 ENERGY -7.14006E+01 +ATOM 1 CA ASN 1 3.800 0.000 0.000 0.000 +ATOM 2 CB ASN 1 4.281 1.404 0.796 0.000 +ATOM 3 CA LEU 2 4.038 -3.793 0.000 0.000 +ATOM 4 CB LEU 2 4.748 -4.746 1.532 0.000 +ATOM 5 CA TYR 3 1.459 -4.078 -2.776 0.000 +ATOM 6 CB TYR 3 -0.899 -4.441 -3.467 0.000 +ATOM 7 CA ILE 4 4.092 -3.703 -5.491 0.000 +ATOM 8 CB ILE 4 4.363 -2.075 -6.148 0.000 +ATOM 9 CA GLN 5 6.595 -5.813 -3.562 0.000 +ATOM 10 CB GLN 5 7.088 -3.936 -2.443 0.000 +ATOM 11 CA TRP 6 5.311 -9.016 -5.153 0.000 +ATOM 12 CB TRP 6 4.278 -11.166 -6.200 0.000 +ATOM 13 CA LEU 7 1.695 -8.384 -4.174 0.000 +ATOM 14 CB LEU 7 2.100 -8.097 -2.299 0.000 +ATOM 15 CA LYS 8 0.912 -6.888 -7.578 0.000 +ATOM 16 CB LYS 8 0.391 -4.428 -7.212 0.000 +ATOM 17 CA ASP 9 3.448 -9.077 -9.370 0.000 +ATOM 18 CB ASP 9 4.968 -9.725 -9.806 0.000 +ATOM 19 CA GLY 10 1.052 -12.011 -9.674 0.000 +ATOM 20 CA GLY 11 -2.688 -12.115 -9.009 0.000 +ATOM 21 CA PRO 12 -3.856 -15.713 -8.648 0.000 +ATOM 22 CB PRO 12 -4.552 -15.618 -9.795 0.000 +ATOM 23 CA SER 13 -0.439 -17.078 -9.595 0.000 +ATOM 24 CB SER 13 0.303 -16.272 -9.945 0.000 +ATOM 25 CA SER 14 0.927 -16.627 -6.078 0.000 +ATOM 26 CB SER 14 2.053 -16.851 -6.014 0.000 +ATOM 27 CA GLY 15 1.101 -13.438 -4.019 0.000 +ATOM 28 CA ARG 16 3.395 -13.396 -0.990 0.000 +ATOM 29 CB ARG 16 4.728 -14.411 -3.503 0.000 +ATOM 30 CA PRO 17 4.341 -10.582 1.382 0.000 +ATOM 31 CB PRO 17 4.190 -11.577 2.274 0.000 +ATOM 32 CA PRO 18 7.616 -8.737 0.824 0.000 +ATOM 33 CB PRO 18 7.002 -8.417 -0.329 0.000 +ATOM 34 CA PRO 19 9.063 -6.575 3.595 0.000 +ATOM 35 CB PRO 19 10.043 -7.493 3.532 0.000 +ATOM 36 CA SER 20 9.274 -2.803 3.192 0.000 +ATOM 37 CB SER 20 8.611 -2.410 2.339 0.000 +TER +CONECT 1 3 2 +CONECT 3 5 4 +CONECT 5 7 6 +CONECT 7 9 8 +CONECT 9 11 10 +CONECT 11 13 12 +CONECT 13 15 14 +CONECT 15 17 16 +CONECT 17 19 18 +CONECT 19 20 +CONECT 20 21 +CONECT 21 23 22 +CONECT 23 25 24 +CONECT 25 27 26 +CONECT 27 28 +CONECT 28 30 29 +CONECT 30 32 31 +CONECT 32 34 33 +CONECT 34 36 35 +CONECT 36 37 +ENDMDL diff --git a/examples/unres/CSA/GAB/CSA/global/restrained/1l2y_csa@005.pdb b/examples/unres/CSA/GAB/CSA/global/restrained/1l2y_csa@005.pdb new file mode 100644 index 0000000..549485e --- /dev/null +++ b/examples/unres/CSA/GAB/CSA/global/restrained/1l2y_csa@005.pdb @@ -0,0 +1,60 @@ +REMARK GM 5 e 52053 m 108 ENERGY -7.21588E+01 +ATOM 1 CA ASN 1 3.800 0.000 0.000 0.000 +ATOM 2 CB ASN 1 4.277 1.605 0.184 0.000 +ATOM 3 CA LEU 2 5.757 -3.257 0.000 0.000 +ATOM 4 CB LEU 2 6.809 -4.523 -1.026 0.000 +ATOM 5 CA TYR 3 7.201 -4.199 3.386 0.000 +ATOM 6 CB TYR 3 8.144 -2.149 4.425 0.000 +ATOM 7 CA ILE 4 8.646 -7.481 2.129 0.000 +ATOM 8 CB ILE 4 7.668 -8.821 1.493 0.000 +ATOM 9 CA GLN 5 11.747 -5.757 0.769 0.000 +ATOM 10 CB GLN 5 11.549 -4.728 -1.210 0.000 +ATOM 11 CA TRP 6 11.771 -3.374 3.729 0.000 +ATOM 12 CB TRP 6 12.476 -1.037 4.637 0.000 +ATOM 13 CA LEU 7 11.734 -6.280 6.178 0.000 +ATOM 14 CB LEU 7 9.817 -6.410 6.438 0.000 +ATOM 15 CA LYS 8 15.141 -7.377 4.902 0.000 +ATOM 16 CB LYS 8 13.645 -7.928 2.924 0.000 +ATOM 17 CA ASP 9 16.546 -3.932 5.679 0.000 +ATOM 18 CB ASP 9 16.320 -2.256 5.925 0.000 +ATOM 19 CA GLY 10 18.290 -5.236 8.793 0.000 +ATOM 20 CA GLY 11 16.281 -8.429 9.248 0.000 +ATOM 21 CA PRO 12 13.043 -6.876 10.490 0.000 +ATOM 22 CB PRO 12 12.418 -8.060 10.364 0.000 +ATOM 23 CA SER 13 14.771 -3.725 11.726 0.000 +ATOM 24 CB SER 13 15.904 -3.595 11.575 0.000 +ATOM 25 CA SER 14 13.499 -1.621 8.829 0.000 +ATOM 26 CB SER 14 12.788 -2.326 8.263 0.000 +ATOM 27 CA GLY 15 11.464 1.586 8.697 0.000 +ATOM 28 CA ARG 16 10.741 3.286 5.376 0.000 +ATOM 29 CB ARG 16 12.273 5.625 6.517 0.000 +ATOM 30 CA PRO 17 9.728 1.268 2.319 0.000 +ATOM 31 CB PRO 17 8.827 2.250 2.138 0.000 +ATOM 32 CA PRO 18 11.866 0.408 -0.702 0.000 +ATOM 33 CB PRO 18 12.372 -0.646 -0.037 0.000 +ATOM 34 CA PRO 19 9.211 -1.077 -2.980 0.000 +ATOM 35 CB PRO 19 8.486 -0.117 -2.379 0.000 +ATOM 36 CA SER 20 10.398 -2.994 -6.039 0.000 +ATOM 37 CB SER 20 9.976 -4.063 -6.004 0.000 +TER +CONECT 1 3 2 +CONECT 3 5 4 +CONECT 5 7 6 +CONECT 7 9 8 +CONECT 9 11 10 +CONECT 11 13 12 +CONECT 13 15 14 +CONECT 15 17 16 +CONECT 17 19 18 +CONECT 19 20 +CONECT 20 21 +CONECT 21 23 22 +CONECT 23 25 24 +CONECT 25 27 26 +CONECT 27 28 +CONECT 28 30 29 +CONECT 30 32 31 +CONECT 32 34 33 +CONECT 34 36 35 +CONECT 36 37 +ENDMDL diff --git a/examples/unres/CSA/GAB/CSA/global/restrained/1l2y_csa@006.pdb b/examples/unres/CSA/GAB/CSA/global/restrained/1l2y_csa@006.pdb new file mode 100644 index 0000000..d2b5188 --- /dev/null +++ b/examples/unres/CSA/GAB/CSA/global/restrained/1l2y_csa@006.pdb @@ -0,0 +1,60 @@ +REMARK GM 6 e 56680 m 117 ENERGY -7.22216E+01 +ATOM 1 CA ASN 1 3.800 0.000 0.000 0.000 +ATOM 2 CB ASN 1 5.279 0.752 0.287 0.000 +ATOM 3 CA LEU 2 5.617 -3.338 0.000 0.000 +ATOM 4 CB LEU 2 5.321 -5.089 -0.777 0.000 +ATOM 5 CA TYR 3 9.002 -3.690 1.690 0.000 +ATOM 6 CB TYR 3 8.846 -6.160 1.477 0.000 +ATOM 7 CA ILE 4 12.396 -2.798 0.232 0.000 +ATOM 8 CB ILE 4 12.693 -1.075 -0.080 0.000 +ATOM 9 CA GLN 5 14.202 -5.122 2.635 0.000 +ATOM 10 CB GLN 5 14.078 -3.674 4.340 0.000 +ATOM 11 CA TRP 6 12.314 -8.079 1.177 0.000 +ATOM 12 CB TRP 6 11.659 -10.329 0.038 0.000 +ATOM 13 CA LEU 7 12.862 -6.765 -2.346 0.000 +ATOM 14 CB LEU 7 11.008 -6.260 -2.607 0.000 +ATOM 15 CA LYS 8 16.555 -7.630 -2.109 0.000 +ATOM 16 CB LYS 8 17.354 -5.218 -2.100 0.000 +ATOM 17 CA ASP 9 15.851 -10.737 -0.039 0.000 +ATOM 18 CB ASP 9 15.593 -10.171 1.553 0.000 +ATOM 19 CA GLY 10 14.129 -12.467 -2.951 0.000 +ATOM 20 CA GLY 11 11.168 -10.540 -4.349 0.000 +ATOM 21 CA PRO 12 8.243 -9.790 -2.041 0.000 +ATOM 22 CB PRO 12 7.319 -10.442 -2.769 0.000 +ATOM 23 CA SER 13 8.304 -12.885 0.164 0.000 +ATOM 24 CB SER 13 7.282 -13.320 0.462 0.000 +ATOM 25 CA SER 14 8.639 -15.226 -2.811 0.000 +ATOM 26 CB SER 14 7.848 -16.060 -2.847 0.000 +ATOM 27 CA GLY 15 7.700 -13.641 -6.134 0.000 +ATOM 28 CA ARG 16 4.125 -12.765 -5.190 0.000 +ATOM 29 CB ARG 16 1.759 -14.283 -4.085 0.000 +ATOM 30 CA PRO 17 2.977 -9.940 -2.922 0.000 +ATOM 31 CB PRO 17 1.865 -10.039 -3.672 0.000 +ATOM 32 CA PRO 18 2.722 -10.293 0.853 0.000 +ATOM 33 CB PRO 18 4.060 -10.182 0.773 0.000 +ATOM 34 CA PRO 19 0.524 -7.736 2.605 0.000 +ATOM 35 CB PRO 19 0.850 -7.049 1.496 0.000 +ATOM 36 CA SER 20 -1.978 -9.146 5.094 0.000 +ATOM 37 CB SER 20 -3.079 -8.856 4.933 0.000 +TER +CONECT 1 3 2 +CONECT 3 5 4 +CONECT 5 7 6 +CONECT 7 9 8 +CONECT 9 11 10 +CONECT 11 13 12 +CONECT 13 15 14 +CONECT 15 17 16 +CONECT 17 19 18 +CONECT 19 20 +CONECT 20 21 +CONECT 21 23 22 +CONECT 23 25 24 +CONECT 25 27 26 +CONECT 27 28 +CONECT 28 30 29 +CONECT 30 32 31 +CONECT 32 34 33 +CONECT 34 36 35 +CONECT 36 37 +ENDMDL diff --git a/examples/unres/CSA/GAB/CSA/global/restrained/1l2y_csa@007.pdb b/examples/unres/CSA/GAB/CSA/global/restrained/1l2y_csa@007.pdb new file mode 100644 index 0000000..fe49d6f --- /dev/null +++ b/examples/unres/CSA/GAB/CSA/global/restrained/1l2y_csa@007.pdb @@ -0,0 +1,61 @@ +REMARK GM 7 e 90901 m 186 ENERGY -7.27593E+01 +HELIX 1 H1 TYR 3 ASP 9 1 6 +ATOM 1 CA ASN 1 3.800 0.000 0.000 0.000 +ATOM 2 CB ASN 1 4.129 1.619 0.328 0.000 +ATOM 3 CA LEU 2 5.558 -3.369 0.000 0.000 +ATOM 4 CB LEU 2 5.823 -5.116 -0.799 0.000 +ATOM 5 CA TYR 3 9.121 -3.489 1.317 0.000 +ATOM 6 CB TYR 3 9.245 -5.792 2.240 0.000 +ATOM 7 CA ILE 4 10.434 -4.389 -2.134 0.000 +ATOM 8 CB ILE 4 10.576 -6.043 -2.763 0.000 +ATOM 9 CA GLN 5 8.797 -1.276 -3.574 0.000 +ATOM 10 CB GLN 5 6.700 -0.771 -2.971 0.000 +ATOM 11 CA TRP 6 9.813 0.682 -0.480 0.000 +ATOM 12 CB TRP 6 8.557 2.927 -0.068 0.000 +ATOM 13 CA LEU 7 13.341 -0.704 -0.739 0.000 +ATOM 14 CB LEU 7 14.167 -2.453 -0.604 0.000 +ATOM 15 CA LYS 8 13.419 0.062 -4.461 0.000 +ATOM 16 CB LYS 8 12.121 -1.878 -5.465 0.000 +ATOM 17 CA ASP 9 13.159 3.783 -3.739 0.000 +ATOM 18 CB ASP 9 12.083 4.181 -2.472 0.000 +ATOM 19 CA GLY 10 16.911 4.260 -4.106 0.000 +ATOM 20 CA GLY 11 17.953 1.431 -1.793 0.000 +ATOM 21 CA PRO 12 18.637 -2.288 -2.173 0.000 +ATOM 22 CB PRO 12 18.736 -2.354 -0.833 0.000 +ATOM 23 CA SER 13 16.443 -5.160 -3.347 0.000 +ATOM 24 CB SER 13 16.014 -4.958 -4.395 0.000 +ATOM 25 CA SER 14 17.503 -8.733 -4.089 0.000 +ATOM 26 CB SER 14 17.893 -9.264 -3.147 0.000 +ATOM 27 CA GLY 15 14.082 -10.386 -4.178 0.000 +ATOM 28 CA ARG 16 13.601 -10.272 -0.411 0.000 +ATOM 29 CB ARG 16 10.658 -9.676 -0.087 0.000 +ATOM 30 CA PRO 17 14.804 -7.227 1.519 0.000 +ATOM 31 CB PRO 17 13.854 -7.689 2.352 0.000 +ATOM 32 CA PRO 18 18.564 -6.942 1.985 0.000 +ATOM 33 CB PRO 18 18.535 -6.627 0.677 0.000 +ATOM 34 CA PRO 19 18.237 -4.278 4.674 0.000 +ATOM 35 CB PRO 19 17.093 -4.109 3.988 0.000 +ATOM 36 CA SER 20 19.600 -5.100 8.125 0.000 +ATOM 37 CB SER 20 20.684 -4.718 8.105 0.000 +TER +CONECT 1 3 2 +CONECT 3 5 4 +CONECT 5 7 6 +CONECT 7 9 8 +CONECT 9 11 10 +CONECT 11 13 12 +CONECT 13 15 14 +CONECT 15 17 16 +CONECT 17 19 18 +CONECT 19 20 +CONECT 20 21 +CONECT 21 23 22 +CONECT 23 25 24 +CONECT 25 27 26 +CONECT 27 28 +CONECT 28 30 29 +CONECT 30 32 31 +CONECT 32 34 33 +CONECT 34 36 35 +CONECT 36 37 +ENDMDL diff --git a/examples/unres/CSA/GAB/CSA/global/restrained/1l2y_csa@008.pdb b/examples/unres/CSA/GAB/CSA/global/restrained/1l2y_csa@008.pdb new file mode 100644 index 0000000..159be09 --- /dev/null +++ b/examples/unres/CSA/GAB/CSA/global/restrained/1l2y_csa@008.pdb @@ -0,0 +1,61 @@ +REMARK GM 8 e 95199 m 193 ENERGY -7.45520E+01 +HELIX 1 H1 ILE 4 GLY 10 1 6 +ATOM 1 CA ASN 1 3.800 0.000 0.000 0.000 +ATOM 2 CB ASN 1 3.999 1.624 0.400 0.000 +ATOM 3 CA LEU 2 5.509 -3.394 0.000 0.000 +ATOM 4 CB LEU 2 4.656 -4.450 -1.384 0.000 +ATOM 5 CA TYR 3 8.633 -4.130 2.034 0.000 +ATOM 6 CB TYR 3 10.289 -3.051 3.540 0.000 +ATOM 7 CA ILE 4 9.174 -7.782 1.136 0.000 +ATOM 8 CB ILE 4 8.159 -8.158 -0.272 0.000 +ATOM 9 CA GLN 5 12.903 -7.463 1.792 0.000 +ATOM 10 CB GLN 5 13.635 -5.385 2.195 0.000 +ATOM 11 CA TRP 6 12.150 -6.553 5.404 0.000 +ATOM 12 CB TRP 6 13.550 -4.753 6.664 0.000 +ATOM 13 CA LEU 7 9.501 -9.271 5.578 0.000 +ATOM 14 CB LEU 7 7.823 -10.038 4.979 0.000 +ATOM 15 CA LYS 8 12.019 -11.822 4.318 0.000 +ATOM 16 CB LYS 8 11.068 -11.870 1.963 0.000 +ATOM 17 CA ASP 9 14.550 -10.682 6.914 0.000 +ATOM 18 CB ASP 9 15.080 -9.094 6.573 0.000 +ATOM 19 CA GLY 10 12.763 -12.626 9.647 0.000 +ATOM 20 CA GLY 11 9.920 -14.733 8.263 0.000 +ATOM 21 CA PRO 12 6.366 -13.397 8.098 0.000 +ATOM 22 CB PRO 12 6.186 -14.137 6.990 0.000 +ATOM 23 CA SER 13 6.416 -12.322 11.743 0.000 +ATOM 24 CB SER 13 7.038 -12.988 12.443 0.000 +ATOM 25 CA SER 14 9.089 -9.692 11.128 0.000 +ATOM 26 CB SER 14 9.156 -10.237 10.118 0.000 +ATOM 27 CA GLY 15 9.906 -6.350 12.742 0.000 +ATOM 28 CA ARG 16 13.236 -5.040 11.463 0.000 +ATOM 29 CB ARG 16 12.467 -7.292 9.604 0.000 +ATOM 30 CA PRO 17 14.834 -1.594 11.400 0.000 +ATOM 31 CB PRO 17 15.819 -2.329 11.948 0.000 +ATOM 32 CA PRO 18 14.108 0.512 8.321 0.000 +ATOM 33 CB PRO 18 14.132 1.570 9.151 0.000 +ATOM 34 CA PRO 19 16.805 0.885 5.670 0.000 +ATOM 35 CB PRO 19 16.187 -0.229 5.240 0.000 +ATOM 36 CA SER 20 17.435 4.343 4.225 0.000 +ATOM 37 CB SER 20 18.248 4.739 4.936 0.000 +TER +CONECT 1 3 2 +CONECT 3 5 4 +CONECT 5 7 6 +CONECT 7 9 8 +CONECT 9 11 10 +CONECT 11 13 12 +CONECT 13 15 14 +CONECT 15 17 16 +CONECT 17 19 18 +CONECT 19 20 +CONECT 20 21 +CONECT 21 23 22 +CONECT 23 25 24 +CONECT 25 27 26 +CONECT 27 28 +CONECT 28 30 29 +CONECT 30 32 31 +CONECT 32 34 33 +CONECT 34 36 35 +CONECT 36 37 +ENDMDL diff --git a/examples/unres/CSA/GAB/CSA/global/restrained/1l2y_csa@009.pdb b/examples/unres/CSA/GAB/CSA/global/restrained/1l2y_csa@009.pdb new file mode 100644 index 0000000..849b5fd --- /dev/null +++ b/examples/unres/CSA/GAB/CSA/global/restrained/1l2y_csa@009.pdb @@ -0,0 +1,61 @@ +REMARK GM 9 e 101179 m 208 ENERGY -7.48880E+01 +HELIX 1 H1 ILE 4 GLY 10 1 6 +ATOM 1 CA ASN 1 3.800 0.000 0.000 0.000 +ATOM 2 CB ASN 1 5.274 0.750 0.319 0.000 +ATOM 3 CA LEU 2 5.614 -3.339 0.000 0.000 +ATOM 4 CB LEU 2 4.593 -4.591 -1.073 0.000 +ATOM 5 CA TYR 3 9.087 -3.722 1.494 0.000 +ATOM 6 CB TYR 3 10.908 -2.404 2.550 0.000 +ATOM 7 CA ILE 4 9.664 -7.430 0.898 0.000 +ATOM 8 CB ILE 4 8.435 -8.003 -0.249 0.000 +ATOM 9 CA GLN 5 13.426 -6.905 0.798 0.000 +ATOM 10 CB GLN 5 14.084 -4.765 0.846 0.000 +ATOM 11 CA TRP 6 13.309 -5.641 4.380 0.000 +ATOM 12 CB TRP 6 14.769 -3.626 5.149 0.000 +ATOM 13 CA LEU 7 10.873 -8.402 5.321 0.000 +ATOM 14 CB LEU 7 9.160 -9.289 5.127 0.000 +ATOM 15 CA LYS 8 13.250 -11.000 3.893 0.000 +ATOM 16 CB LYS 8 11.893 -11.339 1.772 0.000 +ATOM 17 CA ASP 9 16.148 -9.490 5.833 0.000 +ATOM 18 CB ASP 9 16.510 -7.928 5.242 0.000 +ATOM 19 CA GLY 10 14.989 -11.160 9.044 0.000 +ATOM 20 CA GLY 11 12.056 -13.500 8.445 0.000 +ATOM 21 CA PRO 12 8.465 -12.311 8.807 0.000 +ATOM 22 CB PRO 12 8.126 -13.178 7.837 0.000 +ATOM 23 CA SER 13 9.124 -10.822 12.241 0.000 +ATOM 24 CB SER 13 9.902 -11.380 12.877 0.000 +ATOM 25 CA SER 14 11.484 -8.187 10.852 0.000 +ATOM 26 CB SER 14 11.392 -8.844 9.913 0.000 +ATOM 27 CA GLY 15 12.391 -4.658 11.929 0.000 +ATOM 28 CA ARG 16 15.332 -3.362 9.902 0.000 +ATOM 29 CB ARG 16 14.383 -5.853 8.483 0.000 +ATOM 30 CA PRO 17 16.693 0.115 9.195 0.000 +ATOM 31 CB PRO 17 17.804 -0.522 9.607 0.000 +ATOM 32 CA PRO 18 15.284 1.856 6.126 0.000 +ATOM 33 CB PRO 18 15.404 2.996 6.830 0.000 +ATOM 34 CA PRO 19 17.411 2.042 2.983 0.000 +ATOM 35 CB PRO 19 16.798 0.859 2.797 0.000 +ATOM 36 CA SER 20 17.560 5.346 1.111 0.000 +ATOM 37 CB SER 20 18.466 5.851 1.607 0.000 +TER +CONECT 1 3 2 +CONECT 3 5 4 +CONECT 5 7 6 +CONECT 7 9 8 +CONECT 9 11 10 +CONECT 11 13 12 +CONECT 13 15 14 +CONECT 15 17 16 +CONECT 17 19 18 +CONECT 19 20 +CONECT 20 21 +CONECT 21 23 22 +CONECT 23 25 24 +CONECT 25 27 26 +CONECT 27 28 +CONECT 28 30 29 +CONECT 30 32 31 +CONECT 32 34 33 +CONECT 34 36 35 +CONECT 36 37 +ENDMDL diff --git a/examples/unres/CSA/GAB/CSA/global/restrained/1l2y_csa@010.pdb b/examples/unres/CSA/GAB/CSA/global/restrained/1l2y_csa@010.pdb new file mode 100644 index 0000000..d11d352 --- /dev/null +++ b/examples/unres/CSA/GAB/CSA/global/restrained/1l2y_csa@010.pdb @@ -0,0 +1,60 @@ +REMARK GM 10 e 107542 m 228 ENERGY -7.49766E+01 +ATOM 1 CA ASN 1 3.800 0.000 0.000 0.000 +ATOM 2 CB ASN 1 4.008 1.627 0.382 0.000 +ATOM 3 CA LEU 2 5.491 -3.403 0.000 0.000 +ATOM 4 CB LEU 2 5.274 -5.199 -0.698 0.000 +ATOM 5 CA TYR 3 8.830 -4.043 1.697 0.000 +ATOM 6 CB TYR 3 7.442 -5.190 3.408 0.000 +ATOM 7 CA ILE 4 11.200 -6.948 1.078 0.000 +ATOM 8 CB ILE 4 12.901 -6.523 0.790 0.000 +ATOM 9 CA GLN 5 9.506 -9.012 3.781 0.000 +ATOM 10 CB GLN 5 8.020 -9.326 5.427 0.000 +ATOM 11 CA TRP 6 6.185 -8.580 1.986 0.000 +ATOM 12 CB TRP 6 4.148 -9.187 3.492 0.000 +ATOM 13 CA LEU 7 7.868 -9.326 -1.339 0.000 +ATOM 14 CB LEU 7 9.235 -8.813 -2.615 0.000 +ATOM 15 CA LYS 8 9.413 -12.483 0.107 0.000 +ATOM 16 CB LYS 8 11.644 -11.525 0.857 0.000 +ATOM 17 CA ASP 9 5.982 -13.801 1.073 0.000 +ATOM 18 CB ASP 9 4.640 -12.772 1.318 0.000 +ATOM 19 CA GLY 10 5.876 -16.062 -1.979 0.000 +ATOM 20 CA GLY 11 6.338 -13.301 -4.548 0.000 +ATOM 21 CA PRO 12 9.297 -11.732 -6.344 0.000 +ATOM 22 CB PRO 12 8.400 -10.774 -6.639 0.000 +ATOM 23 CA SER 13 12.537 -10.853 -4.565 0.000 +ATOM 24 CB SER 13 13.314 -11.698 -4.637 0.000 +ATOM 25 CA SER 14 14.754 -8.079 -5.919 0.000 +ATOM 26 CB SER 14 14.086 -7.303 -6.442 0.000 +ATOM 27 CA GLY 15 16.115 -5.648 -3.334 0.000 +ATOM 28 CA ARG 16 13.116 -3.317 -3.456 0.000 +ATOM 29 CB ARG 16 12.587 -2.535 -0.587 0.000 +ATOM 30 CA PRO 17 9.711 -4.735 -4.371 0.000 +ATOM 31 CB PRO 17 9.397 -4.068 -3.246 0.000 +ATOM 32 CA PRO 18 8.888 -5.214 -8.050 0.000 +ATOM 33 CB PRO 18 9.610 -6.349 -8.025 0.000 +ATOM 34 CA PRO 19 5.187 -5.705 -7.342 0.000 +ATOM 35 CB PRO 19 5.736 -6.072 -6.170 0.000 +ATOM 36 CA SER 20 2.759 -3.222 -8.884 0.000 +ATOM 37 CB SER 20 2.459 -3.689 -9.891 0.000 +TER +CONECT 1 3 2 +CONECT 3 5 4 +CONECT 5 7 6 +CONECT 7 9 8 +CONECT 9 11 10 +CONECT 11 13 12 +CONECT 13 15 14 +CONECT 15 17 16 +CONECT 17 19 18 +CONECT 19 20 +CONECT 20 21 +CONECT 21 23 22 +CONECT 23 25 24 +CONECT 25 27 26 +CONECT 27 28 +CONECT 28 30 29 +CONECT 30 32 31 +CONECT 32 34 33 +CONECT 34 36 35 +CONECT 36 37 +ENDMDL diff --git a/examples/unres/CSA/GAB/CSA/global/restrained/1l2y_csa@011.pdb b/examples/unres/CSA/GAB/CSA/global/restrained/1l2y_csa@011.pdb new file mode 100644 index 0000000..a183cd3 --- /dev/null +++ b/examples/unres/CSA/GAB/CSA/global/restrained/1l2y_csa@011.pdb @@ -0,0 +1,61 @@ +REMARK GM 11 e 112730 m 243 ENERGY -7.55449E+01 +HELIX 1 H1 ILE 4 GLY 10 1 6 +ATOM 1 CA ASN 1 3.800 0.000 0.000 0.000 +ATOM 2 CB ASN 1 4.372 0.186 1.573 0.000 +ATOM 3 CA LEU 2 4.048 -3.792 0.000 0.000 +ATOM 4 CB LEU 2 5.866 -3.919 0.662 0.000 +ATOM 5 CA TYR 3 1.527 -6.042 -1.738 0.000 +ATOM 6 CB TYR 3 -0.345 -6.058 -3.371 0.000 +ATOM 7 CA ILE 4 1.155 -9.794 -1.258 0.000 +ATOM 8 CB ILE 4 -0.421 -10.579 -1.486 0.000 +ATOM 9 CA GLN 5 4.519 -10.428 -2.908 0.000 +ATOM 10 CB GLN 5 3.896 -9.598 -4.893 0.000 +ATOM 11 CA TRP 6 6.276 -8.420 -0.203 0.000 +ATOM 12 CB TRP 6 7.975 -8.053 1.738 0.000 +ATOM 13 CA LEU 7 3.845 -9.603 2.467 0.000 +ATOM 14 CB LEU 7 2.897 -7.911 2.514 0.000 +ATOM 15 CA LYS 8 4.670 -13.230 1.690 0.000 +ATOM 16 CB LYS 8 2.355 -13.913 0.895 0.000 +ATOM 17 CA ASP 9 8.285 -12.412 0.851 0.000 +ATOM 18 CB ASP 9 8.284 -11.665 -0.686 0.000 +ATOM 19 CA GLY 10 9.033 -11.393 4.434 0.000 +ATOM 20 CA GLY 11 6.721 -8.851 6.057 0.000 +ATOM 21 CA PRO 12 6.712 -6.449 9.002 0.000 +ATOM 22 CB PRO 12 5.727 -5.740 8.423 0.000 +ATOM 23 CA SER 13 8.787 -8.790 11.158 0.000 +ATOM 24 CB SER 13 8.494 -9.901 11.105 0.000 +ATOM 25 CA SER 14 11.563 -8.961 8.568 0.000 +ATOM 26 CB SER 14 11.091 -9.211 7.550 0.000 +ATOM 27 CA GLY 15 13.268 -5.979 6.945 0.000 +ATOM 28 CA ARG 16 11.023 -3.750 4.840 0.000 +ATOM 29 CB ARG 16 8.187 -4.788 4.818 0.000 +ATOM 30 CA PRO 17 8.796 -0.779 5.650 0.000 +ATOM 31 CB PRO 17 8.597 -0.742 4.320 0.000 +ATOM 32 CA PRO 18 5.620 -1.414 7.637 0.000 +ATOM 33 CB PRO 18 6.079 -0.381 8.366 0.000 +ATOM 34 CA PRO 19 2.303 -1.282 5.789 0.000 +ATOM 35 CB PRO 19 2.803 -2.277 5.035 0.000 +ATOM 36 CA SER 20 0.494 0.444 8.651 0.000 +ATOM 37 CB SER 20 0.968 0.262 9.683 0.000 +TER +CONECT 1 3 2 +CONECT 3 5 4 +CONECT 5 7 6 +CONECT 7 9 8 +CONECT 9 11 10 +CONECT 11 13 12 +CONECT 13 15 14 +CONECT 15 17 16 +CONECT 17 19 18 +CONECT 19 20 +CONECT 20 21 +CONECT 21 23 22 +CONECT 23 25 24 +CONECT 25 27 26 +CONECT 27 28 +CONECT 28 30 29 +CONECT 30 32 31 +CONECT 32 34 33 +CONECT 34 36 35 +CONECT 36 37 +ENDMDL diff --git a/examples/unres/CSA/GAB/CSA/global/restrained/1l2y_csa@012.pdb b/examples/unres/CSA/GAB/CSA/global/restrained/1l2y_csa@012.pdb new file mode 100644 index 0000000..b6c77d0 --- /dev/null +++ b/examples/unres/CSA/GAB/CSA/global/restrained/1l2y_csa@012.pdb @@ -0,0 +1,61 @@ +REMARK GM 12 e 133369 m 309 ENERGY -7.55945E+01 +HELIX 1 H1 LEU 2 GLY 10 1 8 +ATOM 1 CA ASN 1 3.800 0.000 0.000 0.000 +ATOM 2 CB ASN 1 4.239 1.443 0.748 0.000 +ATOM 3 CA LEU 2 4.039 -3.793 0.000 0.000 +ATOM 4 CB LEU 2 4.639 -4.459 1.719 0.000 +ATOM 5 CA TYR 3 1.237 -4.072 -2.552 0.000 +ATOM 6 CB TYR 3 -1.053 -4.736 -3.249 0.000 +ATOM 7 CA ILE 4 3.562 -2.881 -5.311 0.000 +ATOM 8 CB ILE 4 3.751 -1.183 -5.798 0.000 +ATOM 9 CA GLN 5 6.013 -5.628 -4.370 0.000 +ATOM 10 CB GLN 5 6.412 -6.406 -2.308 0.000 +ATOM 11 CA TRP 6 3.134 -8.094 -4.105 0.000 +ATOM 12 CB TRP 6 2.709 -10.593 -4.708 0.000 +ATOM 13 CA LEU 7 1.784 -6.945 -7.466 0.000 +ATOM 14 CB LEU 7 0.703 -5.336 -7.527 0.000 +ATOM 15 CA LYS 8 5.237 -7.333 -9.003 0.000 +ATOM 16 CB LYS 8 5.776 -4.850 -9.020 0.000 +ATOM 17 CA ASP 9 5.599 -10.813 -7.520 0.000 +ATOM 18 CB ASP 9 6.448 -10.665 -6.044 0.000 +ATOM 19 CA GLY 10 2.203 -11.900 -8.833 0.000 +ATOM 20 CA GLY 11 -0.982 -11.940 -6.760 0.000 +ATOM 21 CA PRO 12 -0.642 -14.988 -4.517 0.000 +ATOM 22 CB PRO 12 -1.673 -14.499 -3.805 0.000 +ATOM 23 CA SER 13 1.312 -16.983 -7.095 0.000 +ATOM 24 CB SER 13 1.185 -18.125 -7.070 0.000 +ATOM 25 CA SER 14 -1.228 -16.245 -9.823 0.000 +ATOM 26 CB SER 14 -2.218 -15.921 -9.335 0.000 +ATOM 27 CA GLY 15 -1.000 -13.263 -12.167 0.000 +ATOM 28 CA ARG 16 -3.492 -10.504 -11.382 0.000 +ATOM 29 CB ARG 16 -3.240 -8.367 -9.262 0.000 +ATOM 30 CA PRO 17 -3.870 -7.020 -12.853 0.000 +ATOM 31 CB PRO 17 -5.111 -7.504 -13.036 0.000 +ATOM 32 CA PRO 18 -2.294 -4.196 -10.858 0.000 +ATOM 33 CB PRO 18 -1.786 -3.815 -12.043 0.000 +ATOM 34 CA PRO 19 -4.326 -1.588 -8.985 0.000 +ATOM 35 CB PRO 19 -4.224 -2.370 -7.896 0.000 +ATOM 36 CA SER 20 -1.400 0.822 -8.722 0.000 +ATOM 37 CB SER 20 -0.453 0.347 -8.275 0.000 +TER +CONECT 1 3 2 +CONECT 3 5 4 +CONECT 5 7 6 +CONECT 7 9 8 +CONECT 9 11 10 +CONECT 11 13 12 +CONECT 13 15 14 +CONECT 15 17 16 +CONECT 17 19 18 +CONECT 19 20 +CONECT 20 21 +CONECT 21 23 22 +CONECT 23 25 24 +CONECT 25 27 26 +CONECT 27 28 +CONECT 28 30 29 +CONECT 30 32 31 +CONECT 32 34 33 +CONECT 34 36 35 +CONECT 36 37 +ENDMDL diff --git a/examples/unres/CSA/GAB/CSA/global/restrained/1l2y_csa@013.pdb b/examples/unres/CSA/GAB/CSA/global/restrained/1l2y_csa@013.pdb new file mode 100644 index 0000000..36be823 --- /dev/null +++ b/examples/unres/CSA/GAB/CSA/global/restrained/1l2y_csa@013.pdb @@ -0,0 +1,60 @@ +REMARK GM 13 e 152141 m 366 ENERGY -7.84594E+01 +ATOM 1 CA ASN 1 3.800 0.000 0.000 0.000 +ATOM 2 CB ASN 1 4.065 1.580 0.518 0.000 +ATOM 3 CA LEU 2 5.253 -3.511 0.000 0.000 +ATOM 4 CB LEU 2 5.437 -5.414 -0.324 0.000 +ATOM 5 CA TYR 3 8.566 -2.380 -1.477 0.000 +ATOM 6 CB TYR 3 8.015 0.005 -1.057 0.000 +ATOM 7 CA ILE 4 11.917 -2.513 0.310 0.000 +ATOM 8 CB ILE 4 12.802 -4.042 0.126 0.000 +ATOM 9 CA GLN 5 11.948 1.218 1.032 0.000 +ATOM 10 CB GLN 5 10.893 3.141 0.580 0.000 +ATOM 11 CA TRP 6 8.456 0.986 2.513 0.000 +ATOM 12 CB TRP 6 7.171 3.098 3.336 0.000 +ATOM 13 CA LEU 7 9.332 -2.279 4.247 0.000 +ATOM 14 CB LEU 7 9.047 -3.893 3.210 0.000 +ATOM 15 CA LYS 8 12.092 -0.527 6.183 0.000 +ATOM 16 CB LYS 8 13.861 -1.402 4.582 0.000 +ATOM 17 CA ASP 9 9.666 2.156 7.347 0.000 +ATOM 18 CB ASP 9 8.551 3.446 7.235 0.000 +ATOM 19 CA GLY 10 8.116 -0.193 9.899 0.000 +ATOM 20 CA GLY 11 6.359 -2.414 7.364 0.000 +ATOM 21 CA PRO 12 4.387 -5.614 6.806 0.000 +ATOM 22 CB PRO 12 4.728 -5.646 5.505 0.000 +ATOM 23 CA SER 13 5.009 -9.267 7.648 0.000 +ATOM 24 CB SER 13 5.099 -9.517 8.767 0.000 +ATOM 25 CA SER 14 1.356 -10.200 7.176 0.000 +ATOM 26 CB SER 14 0.656 -9.319 6.937 0.000 +ATOM 27 CA GLY 15 1.831 -11.425 3.610 0.000 +ATOM 28 CA ARG 16 5.312 -12.195 2.294 0.000 +ATOM 29 CB ARG 16 7.463 -12.628 0.219 0.000 +ATOM 30 CA PRO 17 7.688 -9.256 1.902 0.000 +ATOM 31 CB PRO 17 7.411 -9.128 3.212 0.000 +ATOM 32 CA PRO 18 9.984 -9.334 -1.126 0.000 +ATOM 33 CB PRO 18 9.852 -7.995 -1.152 0.000 +ATOM 34 CA PRO 19 13.671 -10.168 -0.745 0.000 +ATOM 35 CB PRO 19 13.143 -11.405 -0.754 0.000 +ATOM 36 CA SER 20 16.198 -8.253 -2.840 0.000 +ATOM 37 CB SER 20 17.105 -7.890 -2.233 0.000 +TER +CONECT 1 3 2 +CONECT 3 5 4 +CONECT 5 7 6 +CONECT 7 9 8 +CONECT 9 11 10 +CONECT 11 13 12 +CONECT 13 15 14 +CONECT 15 17 16 +CONECT 17 19 18 +CONECT 19 20 +CONECT 20 21 +CONECT 21 23 22 +CONECT 23 25 24 +CONECT 25 27 26 +CONECT 27 28 +CONECT 28 30 29 +CONECT 30 32 31 +CONECT 32 34 33 +CONECT 34 36 35 +CONECT 36 37 +ENDMDL diff --git a/examples/unres/CSA/GAB/CSA/global/restrained/1l2y_csa@014.pdb b/examples/unres/CSA/GAB/CSA/global/restrained/1l2y_csa@014.pdb new file mode 100644 index 0000000..1902dfc --- /dev/null +++ b/examples/unres/CSA/GAB/CSA/global/restrained/1l2y_csa@014.pdb @@ -0,0 +1,60 @@ +REMARK GM 14 e 239200 m 624 ENERGY -7.85895E+01 +ATOM 1 CA ASN 1 3.800 0.000 0.000 0.000 +ATOM 2 CB ASN 1 4.057 1.587 0.501 0.000 +ATOM 3 CA LEU 2 5.254 -3.511 0.000 0.000 +ATOM 4 CB LEU 2 5.465 -5.413 -0.312 0.000 +ATOM 5 CA TYR 3 8.569 -2.378 -1.472 0.000 +ATOM 6 CB TYR 3 8.031 0.004 -1.017 0.000 +ATOM 7 CA ILE 4 11.887 -2.608 0.366 0.000 +ATOM 8 CB ILE 4 12.783 -4.121 0.119 0.000 +ATOM 9 CA GLN 5 11.954 1.097 1.208 0.000 +ATOM 10 CB GLN 5 10.937 3.033 0.722 0.000 +ATOM 11 CA TRP 6 8.420 0.883 2.590 0.000 +ATOM 12 CB TRP 6 7.157 3.041 3.320 0.000 +ATOM 13 CA LEU 7 9.152 -2.478 4.206 0.000 +ATOM 14 CB LEU 7 9.002 -4.128 3.200 0.000 +ATOM 15 CA LYS 8 11.995 -0.936 6.201 0.000 +ATOM 16 CB LYS 8 13.673 -1.112 4.301 0.000 +ATOM 17 CA ASP 9 9.585 1.474 7.881 0.000 +ATOM 18 CB ASP 9 8.118 1.297 7.022 0.000 +ATOM 19 CA GLY 10 8.331 -1.244 10.222 0.000 +ATOM 20 CA GLY 11 6.484 -3.204 7.541 0.000 +ATOM 21 CA PRO 12 4.555 -6.390 6.787 0.000 +ATOM 22 CB PRO 12 4.851 -6.292 5.479 0.000 +ATOM 23 CA SER 13 5.250 -10.087 7.327 0.000 +ATOM 24 CB SER 13 5.373 -10.421 8.421 0.000 +ATOM 25 CA SER 14 1.596 -11.035 6.887 0.000 +ATOM 26 CB SER 14 0.879 -10.148 6.745 0.000 +ATOM 27 CA GLY 15 1.979 -11.950 3.218 0.000 +ATOM 28 CA ARG 16 5.454 -12.529 1.793 0.000 +ATOM 29 CB ARG 16 7.579 -12.759 -0.340 0.000 +ATOM 30 CA PRO 17 7.782 -9.531 1.616 0.000 +ATOM 31 CB PRO 17 7.529 -9.524 2.937 0.000 +ATOM 32 CA PRO 18 10.035 -9.332 -1.437 0.000 +ATOM 33 CB PRO 18 9.871 -7.999 -1.355 0.000 +ATOM 34 CA PRO 19 13.734 -10.154 -1.158 0.000 +ATOM 35 CB PRO 19 13.219 -11.393 -1.260 0.000 +ATOM 36 CA SER 20 16.215 -8.023 -3.092 0.000 +ATOM 37 CB SER 20 17.105 -7.680 -2.449 0.000 +TER +CONECT 1 3 2 +CONECT 3 5 4 +CONECT 5 7 6 +CONECT 7 9 8 +CONECT 9 11 10 +CONECT 11 13 12 +CONECT 13 15 14 +CONECT 15 17 16 +CONECT 17 19 18 +CONECT 19 20 +CONECT 20 21 +CONECT 21 23 22 +CONECT 23 25 24 +CONECT 25 27 26 +CONECT 27 28 +CONECT 28 30 29 +CONECT 30 32 31 +CONECT 32 34 33 +CONECT 34 36 35 +CONECT 36 37 +ENDMDL diff --git a/examples/unres/CSA/GAB/CSA/global/restrained/1l2y_csa@015.pdb b/examples/unres/CSA/GAB/CSA/global/restrained/1l2y_csa@015.pdb new file mode 100644 index 0000000..e57d55c --- /dev/null +++ b/examples/unres/CSA/GAB/CSA/global/restrained/1l2y_csa@015.pdb @@ -0,0 +1,61 @@ +REMARK GM 15 e 245371 m 642 ENERGY -7.93944E+01 +HELIX 1 H1 ILE 4 GLY 10 1 6 +ATOM 1 CA ASN 1 3.800 0.000 0.000 0.000 +ATOM 2 CB ASN 1 5.417 0.342 0.324 0.000 +ATOM 3 CA LEU 2 4.057 -3.791 0.000 0.000 +ATOM 4 CB LEU 2 3.314 -5.509 0.507 0.000 +ATOM 5 CA TYR 3 5.638 -5.093 -3.201 0.000 +ATOM 6 CB TYR 3 7.969 -4.434 -3.750 0.000 +ATOM 7 CA ILE 4 6.535 -8.784 -3.106 0.000 +ATOM 8 CB ILE 4 5.250 -9.643 -2.229 0.000 +ATOM 9 CA GLN 5 7.163 -8.794 -6.854 0.000 +ATOM 10 CB GLN 5 5.609 -7.197 -7.089 0.000 +ATOM 11 CA TRP 6 10.135 -6.474 -6.377 0.000 +ATOM 12 CB TRP 6 12.283 -5.415 -7.400 0.000 +ATOM 13 CA LEU 7 11.397 -8.597 -3.489 0.000 +ATOM 14 CB LEU 7 11.126 -7.319 -2.057 0.000 +ATOM 15 CA LYS 8 11.115 -11.725 -5.628 0.000 +ATOM 16 CB LYS 8 8.951 -12.567 -4.594 0.000 +ATOM 17 CA ASP 9 12.871 -9.990 -8.517 0.000 +ATOM 18 CB ASP 9 11.734 -9.011 -9.334 0.000 +ATOM 19 CA GLY 10 16.091 -9.636 -6.530 0.000 +ATOM 20 CA GLY 11 18.334 -9.358 -9.585 0.000 +ATOM 21 CA PRO 12 17.100 -5.865 -10.433 0.000 +ATOM 22 CB PRO 12 16.683 -6.378 -11.605 0.000 +ATOM 23 CA SER 13 16.984 -4.724 -6.810 0.000 +ATOM 24 CB SER 13 18.027 -4.478 -6.394 0.000 +ATOM 25 CA SER 14 15.375 -1.389 -5.955 0.000 +ATOM 26 CB SER 14 14.240 -1.470 -6.117 0.000 +ATOM 27 CA GLY 15 15.115 -0.090 -2.393 0.000 +ATOM 28 CA ARG 16 11.619 -1.440 -1.766 0.000 +ATOM 29 CB ARG 16 8.793 -0.748 -2.575 0.000 +ATOM 30 CA PRO 17 9.831 -2.098 1.523 0.000 +ATOM 31 CB PRO 17 8.816 -2.696 0.873 0.000 +ATOM 32 CA PRO 18 10.580 -5.460 3.127 0.000 +ATOM 33 CB PRO 18 10.416 -5.142 4.423 0.000 +ATOM 34 CA PRO 19 7.516 -7.705 3.001 0.000 +ATOM 35 CB PRO 19 7.416 -7.371 1.702 0.000 +ATOM 36 CA SER 20 8.357 -9.425 6.283 0.000 +ATOM 37 CB SER 20 9.415 -9.174 6.658 0.000 +TER +CONECT 1 3 2 +CONECT 3 5 4 +CONECT 5 7 6 +CONECT 7 9 8 +CONECT 9 11 10 +CONECT 11 13 12 +CONECT 13 15 14 +CONECT 15 17 16 +CONECT 17 19 18 +CONECT 19 20 +CONECT 20 21 +CONECT 21 23 22 +CONECT 23 25 24 +CONECT 25 27 26 +CONECT 27 28 +CONECT 28 30 29 +CONECT 30 32 31 +CONECT 32 34 33 +CONECT 34 36 35 +CONECT 36 37 +ENDMDL diff --git a/examples/unres/CSA/GAB/CSA/global/restrained/1l2y_csa@016.pdb b/examples/unres/CSA/GAB/CSA/global/restrained/1l2y_csa@016.pdb new file mode 100644 index 0000000..119e32b --- /dev/null +++ b/examples/unres/CSA/GAB/CSA/global/restrained/1l2y_csa@016.pdb @@ -0,0 +1,61 @@ +REMARK GM 16 e 253631 m 665 ENERGY -7.99989E+01 +HELIX 1 H1 ILE 4 GLY 10 1 6 +ATOM 1 CA ASN 1 3.800 0.000 0.000 0.000 +ATOM 2 CB ASN 1 4.531 1.444 0.467 0.000 +ATOM 3 CA LEU 2 4.062 -3.791 0.000 0.000 +ATOM 4 CB LEU 2 3.574 -5.666 0.084 0.000 +ATOM 5 CA TYR 3 5.878 -3.850 -3.337 0.000 +ATOM 6 CB TYR 3 6.164 -1.406 -3.000 0.000 +ATOM 7 CA ILE 4 9.489 -4.949 -3.777 0.000 +ATOM 8 CB ILE 4 9.741 -6.672 -4.126 0.000 +ATOM 9 CA GLN 5 10.769 -1.376 -3.967 0.000 +ATOM 10 CB GLN 5 9.958 0.707 -4.112 0.000 +ATOM 11 CA TRP 6 9.000 -0.542 -0.709 0.000 +ATOM 12 CB TRP 6 8.906 1.848 0.322 0.000 +ATOM 13 CA LEU 7 10.029 -3.885 0.777 0.000 +ATOM 14 CB LEU 7 8.802 -5.353 0.462 0.000 +ATOM 15 CA LYS 8 13.691 -2.959 0.356 0.000 +ATOM 16 CB LYS 8 13.856 -4.369 -1.751 0.000 +ATOM 17 CA ASP 9 13.129 0.351 2.136 0.000 +ATOM 18 CB ASP 9 12.477 1.903 2.430 0.000 +ATOM 19 CA GLY 10 13.009 -1.365 5.524 0.000 +ATOM 20 CA GLY 11 9.633 -3.027 4.994 0.000 +ATOM 21 CA PRO 12 7.099 -5.516 6.346 0.000 +ATOM 22 CB PRO 12 6.545 -5.680 5.132 0.000 +ATOM 23 CA SER 13 7.281 -9.172 7.368 0.000 +ATOM 24 CB SER 13 7.990 -9.416 8.240 0.000 +ATOM 25 CA SER 14 4.026 -8.993 9.320 0.000 +ATOM 26 CB SER 14 3.548 -7.948 9.373 0.000 +ATOM 27 CA GLY 15 1.912 -10.369 6.479 0.000 +ATOM 28 CA ARG 16 3.533 -12.170 3.552 0.000 +ATOM 29 CB ARG 16 3.781 -13.241 0.739 0.000 +ATOM 30 CA PRO 17 5.736 -10.058 1.288 0.000 +ATOM 31 CB PRO 17 6.366 -9.844 2.458 0.000 +ATOM 32 CA PRO 18 5.580 -10.835 -2.428 0.000 +ATOM 33 CB PRO 18 5.770 -9.518 -2.628 0.000 +ATOM 34 CA PRO 19 8.409 -12.704 -4.145 0.000 +ATOM 35 CB PRO 19 7.734 -13.732 -3.600 0.000 +ATOM 36 CA SER 20 9.427 -11.642 -7.648 0.000 +ATOM 37 CB SER 20 10.565 -11.549 -7.781 0.000 +TER +CONECT 1 3 2 +CONECT 3 5 4 +CONECT 5 7 6 +CONECT 7 9 8 +CONECT 9 11 10 +CONECT 11 13 12 +CONECT 13 15 14 +CONECT 15 17 16 +CONECT 17 19 18 +CONECT 19 20 +CONECT 20 21 +CONECT 21 23 22 +CONECT 23 25 24 +CONECT 25 27 26 +CONECT 27 28 +CONECT 28 30 29 +CONECT 30 32 31 +CONECT 32 34 33 +CONECT 34 36 35 +CONECT 36 37 +ENDMDL diff --git a/examples/unres/CSA/GAB/CSA/global/restrained/1l2y_csa@017.pdb b/examples/unres/CSA/GAB/CSA/global/restrained/1l2y_csa@017.pdb new file mode 100644 index 0000000..40c5550 --- /dev/null +++ b/examples/unres/CSA/GAB/CSA/global/restrained/1l2y_csa@017.pdb @@ -0,0 +1,61 @@ +REMARK GM 17 e 320185 m 871 ENERGY -8.00365E+01 +HELIX 1 H1 TYR 3 GLY 10 1 7 +ATOM 1 CA ASN 1 3.800 0.000 0.000 0.000 +ATOM 2 CB ASN 1 5.271 0.756 0.320 0.000 +ATOM 3 CA LEU 2 5.407 -3.444 0.000 0.000 +ATOM 4 CB LEU 2 6.103 -5.220 -0.343 0.000 +ATOM 5 CA TYR 3 8.718 -2.015 -1.198 0.000 +ATOM 6 CB TYR 3 9.623 -3.551 -2.928 0.000 +ATOM 7 CA ILE 4 9.763 -1.217 2.367 0.000 +ATOM 8 CB ILE 4 9.481 0.345 3.165 0.000 +ATOM 9 CA GLN 5 8.420 -4.573 3.538 0.000 +ATOM 10 CB GLN 5 6.461 -3.564 3.940 0.000 +ATOM 11 CA TRP 6 10.238 -6.275 0.668 0.000 +ATOM 12 CB TRP 6 11.802 -7.938 -0.588 0.000 +ATOM 13 CA LEU 7 13.312 -4.142 1.330 0.000 +ATOM 14 CB LEU 7 13.473 -3.382 -0.446 0.000 +ATOM 15 CA LYS 8 13.374 -5.332 4.939 0.000 +ATOM 16 CB LYS 8 12.626 -3.073 5.832 0.000 +ATOM 17 CA ASP 9 12.199 -8.810 3.957 0.000 +ATOM 18 CB ASP 9 10.528 -8.695 3.617 0.000 +ATOM 19 CA GLY 10 15.236 -9.383 1.746 0.000 +ATOM 20 CA GLY 11 16.142 -7.217 -1.242 0.000 +ATOM 21 CA PRO 12 13.567 -6.399 -3.915 0.000 +ATOM 22 CB PRO 12 14.514 -6.722 -4.814 0.000 +ATOM 23 CA SER 13 10.457 -8.469 -4.608 0.000 +ATOM 24 CB SER 13 9.667 -8.412 -3.774 0.000 +ATOM 25 CA SER 14 8.027 -7.301 -7.286 0.000 +ATOM 26 CB SER 14 8.701 -6.457 -7.681 0.000 +ATOM 27 CA GLY 15 5.672 -10.183 -8.050 0.000 +ATOM 28 CA ARG 16 8.409 -12.501 -9.306 0.000 +ATOM 29 CB ARG 16 10.155 -10.235 -8.336 0.000 +ATOM 30 CA PRO 17 11.164 -13.947 -7.124 0.000 +ATOM 31 CB PRO 17 10.883 -15.023 -7.881 0.000 +ATOM 32 CA PRO 18 14.551 -12.249 -6.829 0.000 +ATOM 33 CB PRO 18 13.903 -11.357 -6.058 0.000 +ATOM 34 CA PRO 19 17.571 -13.957 -5.279 0.000 +ATOM 35 CB PRO 19 17.526 -14.601 -6.459 0.000 +ATOM 36 CA SER 20 19.898 -11.845 -3.143 0.000 +ATOM 37 CB SER 20 19.954 -12.233 -2.062 0.000 +TER +CONECT 1 3 2 +CONECT 3 5 4 +CONECT 5 7 6 +CONECT 7 9 8 +CONECT 9 11 10 +CONECT 11 13 12 +CONECT 13 15 14 +CONECT 15 17 16 +CONECT 17 19 18 +CONECT 19 20 +CONECT 20 21 +CONECT 21 23 22 +CONECT 23 25 24 +CONECT 25 27 26 +CONECT 27 28 +CONECT 28 30 29 +CONECT 30 32 31 +CONECT 32 34 33 +CONECT 34 36 35 +CONECT 36 37 +ENDMDL diff --git a/examples/unres/CSA/GAB/CSA/global/restrained/1l2y_csa@018.pdb b/examples/unres/CSA/GAB/CSA/global/restrained/1l2y_csa@018.pdb new file mode 100644 index 0000000..e76a22c --- /dev/null +++ b/examples/unres/CSA/GAB/CSA/global/restrained/1l2y_csa@018.pdb @@ -0,0 +1,61 @@ +REMARK GM 18 e 354506 m 976 ENERGY -8.23575E+01 +HELIX 1 H1 ILE 4 GLY 10 1 6 +ATOM 1 CA ASN 1 3.800 0.000 0.000 0.000 +ATOM 2 CB ASN 1 4.373 0.152 1.576 0.000 +ATOM 3 CA LEU 2 5.692 -3.296 0.000 0.000 +ATOM 4 CB LEU 2 5.940 -3.940 -1.812 0.000 +ATOM 5 CA TYR 3 6.937 -2.729 3.545 0.000 +ATOM 6 CB TYR 3 7.455 -1.354 5.548 0.000 +ATOM 7 CA ILE 4 3.408 -3.093 4.906 0.000 +ATOM 8 CB ILE 4 2.347 -3.226 3.487 0.000 +ATOM 9 CA GLN 5 4.664 -5.655 7.416 0.000 +ATOM 10 CB GLN 5 5.738 -6.947 5.934 0.000 +ATOM 11 CA TRP 6 6.647 -2.904 9.131 0.000 +ATOM 12 CB TRP 6 7.632 -1.512 11.100 0.000 +ATOM 13 CA LEU 7 3.655 -0.567 8.975 0.000 +ATOM 14 CB LEU 7 3.773 0.697 7.509 0.000 +ATOM 15 CA LYS 8 1.469 -3.201 10.625 0.000 +ATOM 16 CB LYS 8 0.234 -3.655 8.452 0.000 +ATOM 17 CA ASP 9 4.290 -4.330 12.907 0.000 +ATOM 18 CB ASP 9 5.068 -5.296 11.731 0.000 +ATOM 19 CA GLY 10 4.374 -0.952 14.647 0.000 +ATOM 20 CA GLY 11 5.498 2.029 12.576 0.000 +ATOM 21 CA PRO 12 8.838 2.944 11.013 0.000 +ATOM 22 CB PRO 12 8.910 4.182 11.535 0.000 +ATOM 23 CA SER 13 11.403 1.989 13.649 0.000 +ATOM 24 CB SER 13 12.180 2.791 13.922 0.000 +ATOM 25 CA SER 14 8.950 2.708 16.460 0.000 +ATOM 26 CB SER 14 7.926 3.014 16.034 0.000 +ATOM 27 CA GLY 15 8.095 -0.973 16.858 0.000 +ATOM 28 CA ARG 16 10.107 -3.650 15.061 0.000 +ATOM 29 CB ARG 16 9.255 -4.724 12.370 0.000 +ATOM 30 CA PRO 17 12.685 -2.930 12.364 0.000 +ATOM 31 CB PRO 17 13.200 -4.072 12.854 0.000 +ATOM 32 CA PRO 18 11.361 -2.051 8.912 0.000 +ATOM 33 CB PRO 18 11.330 -0.787 9.371 0.000 +ATOM 34 CA PRO 19 11.736 -4.656 6.171 0.000 +ATOM 35 CB PRO 19 10.400 -4.692 6.327 0.000 +ATOM 36 CA SER 20 13.888 -3.793 3.161 0.000 +ATOM 37 CB SER 20 14.696 -4.590 2.975 0.000 +TER +CONECT 1 3 2 +CONECT 3 5 4 +CONECT 5 7 6 +CONECT 7 9 8 +CONECT 9 11 10 +CONECT 11 13 12 +CONECT 13 15 14 +CONECT 15 17 16 +CONECT 17 19 18 +CONECT 19 20 +CONECT 20 21 +CONECT 21 23 22 +CONECT 23 25 24 +CONECT 25 27 26 +CONECT 27 28 +CONECT 28 30 29 +CONECT 30 32 31 +CONECT 32 34 33 +CONECT 34 36 35 +CONECT 36 37 +ENDMDL diff --git a/examples/unres/CSA/GAB/CSA/global/restrained/1l2y_csa@019.pdb b/examples/unres/CSA/GAB/CSA/global/restrained/1l2y_csa@019.pdb new file mode 100644 index 0000000..2a06e1f --- /dev/null +++ b/examples/unres/CSA/GAB/CSA/global/restrained/1l2y_csa@019.pdb @@ -0,0 +1,60 @@ +REMARK GM 19 e 513323 m 1495 ENERGY -8.55893E+01 +ATOM 1 CA ASN 1 3.800 0.000 0.000 0.000 +ATOM 2 CB ASN 1 4.242 1.453 0.728 0.000 +ATOM 3 CA LEU 2 4.040 -3.792 0.000 0.000 +ATOM 4 CB LEU 2 4.324 -5.559 0.747 0.000 +ATOM 5 CA TYR 3 1.505 -4.140 -2.809 0.000 +ATOM 6 CB TYR 3 0.061 -2.410 -3.855 0.000 +ATOM 7 CA ILE 4 2.195 -7.859 -3.174 0.000 +ATOM 8 CB ILE 4 3.852 -8.499 -3.214 0.000 +ATOM 9 CA GLN 5 -0.115 -8.585 -0.245 0.000 +ATOM 10 CB GLN 5 0.031 -6.671 0.910 0.000 +ATOM 11 CA TRP 6 -2.903 -6.675 -1.984 0.000 +ATOM 12 CB TRP 6 -5.396 -5.958 -1.756 0.000 +ATOM 13 CA LEU 7 -2.169 -8.527 -5.220 0.000 +ATOM 14 CB LEU 7 -0.747 -8.925 -6.477 0.000 +ATOM 15 CA LYS 8 -2.585 -11.858 -3.439 0.000 +ATOM 16 CB LYS 8 -0.134 -12.126 -2.828 0.000 +ATOM 17 CA ASP 9 -6.177 -11.004 -2.541 0.000 +ATOM 18 CB ASP 9 -7.386 -9.859 -2.155 0.000 +ATOM 19 CA GLY 10 -7.474 -13.340 -5.243 0.000 +ATOM 20 CA GLY 11 -4.564 -13.276 -7.685 0.000 +ATOM 21 CA PRO 12 -5.003 -9.752 -9.036 0.000 +ATOM 22 CB PRO 12 -3.816 -9.817 -9.664 0.000 +ATOM 23 CA SER 13 -8.698 -9.660 -8.154 0.000 +ATOM 24 CB SER 13 -9.173 -10.589 -7.670 0.000 +ATOM 25 CA SER 14 -8.166 -7.552 -5.037 0.000 +ATOM 26 CB SER 14 -7.038 -7.328 -5.062 0.000 +ATOM 27 CA GLY 15 -9.533 -4.040 -4.548 0.000 +ATOM 28 CA ARG 16 -6.260 -2.284 -5.350 0.000 +ATOM 29 CB ARG 16 -3.740 -3.905 -4.971 0.000 +ATOM 30 CA PRO 17 -4.303 -2.476 -8.602 0.000 +ATOM 31 CB PRO 17 -4.096 -1.188 -8.273 0.000 +ATOM 32 CA PRO 18 -1.861 -5.365 -8.961 0.000 +ATOM 33 CB PRO 18 -2.505 -5.580 -10.123 0.000 +ATOM 34 CA PRO 19 1.885 -4.732 -8.984 0.000 +ATOM 35 CB PRO 19 1.817 -5.055 -7.680 0.000 +ATOM 36 CA SER 20 2.509 -7.563 -11.441 0.000 +ATOM 37 CB SER 20 1.607 -8.276 -11.428 0.000 +TER +CONECT 1 3 2 +CONECT 3 5 4 +CONECT 5 7 6 +CONECT 7 9 8 +CONECT 9 11 10 +CONECT 11 13 12 +CONECT 13 15 14 +CONECT 15 17 16 +CONECT 17 19 18 +CONECT 19 20 +CONECT 20 21 +CONECT 21 23 22 +CONECT 23 25 24 +CONECT 25 27 26 +CONECT 27 28 +CONECT 28 30 29 +CONECT 30 32 31 +CONECT 32 34 33 +CONECT 34 36 35 +CONECT 36 37 +ENDMDL diff --git a/examples/unres/CSA/GAB/CSA/global/restrained/1l2y_csa@020.pdb b/examples/unres/CSA/GAB/CSA/global/restrained/1l2y_csa@020.pdb new file mode 100644 index 0000000..b9ce34e --- /dev/null +++ b/examples/unres/CSA/GAB/CSA/global/restrained/1l2y_csa@020.pdb @@ -0,0 +1,61 @@ +REMARK GM 20 e 594644 m 1753 ENERGY -8.61988E+01 +HELIX 1 H1 TYR 3 GLY 10 1 7 +ATOM 1 CA ASN 1 3.800 0.000 0.000 0.000 +ATOM 2 CB ASN 1 4.363 0.476 1.514 0.000 +ATOM 3 CA LEU 2 5.512 -3.392 0.000 0.000 +ATOM 4 CB LEU 2 6.548 -4.935 -0.554 0.000 +ATOM 5 CA TYR 3 8.944 -1.766 0.142 0.000 +ATOM 6 CB TYR 3 8.101 0.554 -0.136 0.000 +ATOM 7 CA ILE 4 8.748 -1.477 3.926 0.000 +ATOM 8 CB ILE 4 8.350 0.019 4.796 0.000 +ATOM 9 CA GLN 5 7.345 -5.001 4.162 0.000 +ATOM 10 CB GLN 5 5.232 -4.298 3.919 0.000 +ATOM 11 CA TRP 6 9.984 -6.227 1.718 0.000 +ATOM 12 CB TRP 6 11.819 -7.680 0.575 0.000 +ATOM 13 CA LEU 7 12.688 -4.178 3.431 0.000 +ATOM 14 CB LEU 7 12.741 -2.916 1.960 0.000 +ATOM 15 CA LYS 8 11.721 -5.613 6.814 0.000 +ATOM 16 CB LYS 8 10.719 -3.465 7.731 0.000 +ATOM 17 CA ASP 9 10.937 -9.024 5.334 0.000 +ATOM 18 CB ASP 9 9.375 -8.491 4.889 0.000 +ATOM 19 CA GLY 10 14.550 -9.575 4.296 0.000 +ATOM 20 CA GLY 11 16.200 -7.386 1.663 0.000 +ATOM 21 CA PRO 12 15.965 -6.826 -2.088 0.000 +ATOM 22 CB PRO 12 17.244 -7.119 -2.383 0.000 +ATOM 23 CA SER 13 15.126 -10.179 -3.666 0.000 +ATOM 24 CB SER 13 15.790 -10.504 -4.547 0.000 +ATOM 25 CA SER 14 17.016 -12.034 -0.941 0.000 +ATOM 26 CB SER 14 17.460 -11.269 -0.206 0.000 +ATOM 27 CA GLY 15 13.861 -12.578 1.108 0.000 +ATOM 28 CA ARG 16 10.380 -11.747 -0.168 0.000 +ATOM 29 CB ARG 16 8.400 -9.787 0.999 0.000 +ATOM 30 CA PRO 17 9.682 -9.810 -3.361 0.000 +ATOM 31 CB PRO 17 8.401 -10.126 -3.100 0.000 +ATOM 32 CA PRO 18 10.479 -6.100 -3.571 0.000 +ATOM 33 CB PRO 18 11.708 -6.608 -3.775 0.000 +ATOM 34 CA PRO 19 8.478 -3.818 -5.857 0.000 +ATOM 35 CB PRO 19 8.297 -3.146 -4.706 0.000 +ATOM 36 CA SER 20 10.163 -2.452 -8.978 0.000 +ATOM 37 CB SER 20 9.547 -2.669 -9.924 0.000 +TER +CONECT 1 3 2 +CONECT 3 5 4 +CONECT 5 7 6 +CONECT 7 9 8 +CONECT 9 11 10 +CONECT 11 13 12 +CONECT 13 15 14 +CONECT 15 17 16 +CONECT 17 19 18 +CONECT 19 20 +CONECT 20 21 +CONECT 21 23 22 +CONECT 23 25 24 +CONECT 25 27 26 +CONECT 27 28 +CONECT 28 30 29 +CONECT 30 32 31 +CONECT 32 34 33 +CONECT 34 36 35 +CONECT 36 37 +ENDMDL diff --git a/examples/unres/CSA/GAB/CSA/global/restrained/1l2y_csa@021.pdb b/examples/unres/CSA/GAB/CSA/global/restrained/1l2y_csa@021.pdb new file mode 100644 index 0000000..9a71dfa --- /dev/null +++ b/examples/unres/CSA/GAB/CSA/global/restrained/1l2y_csa@021.pdb @@ -0,0 +1,61 @@ +REMARK GM 21 e 648694 m 1938 ENERGY -8.72577E+01 +HELIX 1 H1 TYR 3 GLY 10 1 7 +ATOM 1 CA ASN 1 3.800 0.000 0.000 0.000 +ATOM 2 CB ASN 1 4.368 0.475 1.513 0.000 +ATOM 3 CA LEU 2 5.511 -3.393 0.000 0.000 +ATOM 4 CB LEU 2 6.508 -4.962 -0.552 0.000 +ATOM 5 CA TYR 3 8.945 -1.767 0.069 0.000 +ATOM 6 CB TYR 3 8.091 0.551 -0.190 0.000 +ATOM 7 CA ILE 4 8.819 -1.478 3.856 0.000 +ATOM 8 CB ILE 4 8.409 0.014 4.727 0.000 +ATOM 9 CA GLN 5 7.464 -5.019 4.114 0.000 +ATOM 10 CB GLN 5 5.332 -4.357 3.932 0.000 +ATOM 11 CA TRP 6 10.061 -6.202 1.604 0.000 +ATOM 12 CB TRP 6 11.889 -7.625 0.412 0.000 +ATOM 13 CA LEU 7 12.773 -4.126 3.270 0.000 +ATOM 14 CB LEU 7 12.798 -2.884 1.781 0.000 +ATOM 15 CA LYS 8 11.905 -5.605 6.661 0.000 +ATOM 16 CB LYS 8 10.872 -3.484 7.605 0.000 +ATOM 17 CA ASP 9 11.152 -9.016 5.166 0.000 +ATOM 18 CB ASP 9 9.577 -8.492 4.760 0.000 +ATOM 19 CA GLY 10 14.754 -9.482 4.048 0.000 +ATOM 20 CA GLY 11 16.242 -7.161 1.433 0.000 +ATOM 21 CA PRO 12 15.851 -6.517 -2.292 0.000 +ATOM 22 CB PRO 12 17.137 -6.718 -2.633 0.000 +ATOM 23 CA SER 13 15.158 -9.883 -3.912 0.000 +ATOM 24 CB SER 13 15.812 -10.152 -4.820 0.000 +ATOM 25 CA SER 14 17.233 -11.677 -1.282 0.000 +ATOM 26 CB SER 14 17.657 -10.907 -0.541 0.000 +ATOM 27 CA GLY 15 14.176 -12.462 0.835 0.000 +ATOM 28 CA ARG 16 10.626 -11.811 -0.354 0.000 +ATOM 29 CB ARG 16 8.636 -9.896 0.868 0.000 +ATOM 30 CA PRO 17 9.741 -9.852 -3.488 0.000 +ATOM 31 CB PRO 17 8.479 -10.221 -3.204 0.000 +ATOM 32 CA PRO 18 10.271 -6.091 -3.612 0.000 +ATOM 33 CB PRO 18 11.525 -6.513 -3.852 0.000 +ATOM 34 CA PRO 19 7.986 -3.939 -5.754 0.000 +ATOM 35 CB PRO 19 7.914 -3.117 -4.692 0.000 +ATOM 36 CA SER 20 10.796 -2.937 -8.108 0.000 +ATOM 37 CB SER 20 11.831 -2.994 -7.609 0.000 +TER +CONECT 1 3 2 +CONECT 3 5 4 +CONECT 5 7 6 +CONECT 7 9 8 +CONECT 9 11 10 +CONECT 11 13 12 +CONECT 13 15 14 +CONECT 15 17 16 +CONECT 17 19 18 +CONECT 19 20 +CONECT 20 21 +CONECT 21 23 22 +CONECT 23 25 24 +CONECT 25 27 26 +CONECT 27 28 +CONECT 28 30 29 +CONECT 30 32 31 +CONECT 32 34 33 +CONECT 34 36 35 +CONECT 36 37 +ENDMDL diff --git a/examples/unres/CSA/GAB/CSA/global/restrained/1l2y_csa@022.pdb b/examples/unres/CSA/GAB/CSA/global/restrained/1l2y_csa@022.pdb new file mode 100644 index 0000000..db1101f --- /dev/null +++ b/examples/unres/CSA/GAB/CSA/global/restrained/1l2y_csa@022.pdb @@ -0,0 +1,61 @@ +REMARK GM 22 e 768228 m 2325 ENERGY -8.75297E+01 +HELIX 1 H1 TYR 3 GLY 10 1 7 +ATOM 1 CA ASN 1 3.800 0.000 0.000 0.000 +ATOM 2 CB ASN 1 4.200 1.498 0.657 0.000 +ATOM 3 CA LEU 2 4.040 -3.792 0.000 0.000 +ATOM 4 CB LEU 2 3.634 -5.680 0.180 0.000 +ATOM 5 CA TYR 3 1.592 -4.035 -2.896 0.000 +ATOM 6 CB TYR 3 1.076 -1.606 -2.816 0.000 +ATOM 7 CA ILE 4 4.388 -3.489 -5.410 0.000 +ATOM 8 CB ILE 4 4.736 -1.930 -6.186 0.000 +ATOM 9 CA GLN 5 6.601 -5.934 -3.523 0.000 +ATOM 10 CB GLN 5 7.443 -4.368 -2.161 0.000 +ATOM 11 CA TRP 6 3.688 -8.358 -3.244 0.000 +ATOM 12 CB TRP 6 2.268 -10.543 -3.233 0.000 +ATOM 13 CA LEU 7 2.681 -7.727 -6.853 0.000 +ATOM 14 CB LEU 7 1.101 -6.755 -6.288 0.000 +ATOM 15 CA LYS 8 6.230 -8.415 -8.025 0.000 +ATOM 16 CB LYS 8 6.766 -6.005 -8.625 0.000 +ATOM 17 CA ASP 9 6.735 -11.141 -5.425 0.000 +ATOM 18 CB ASP 9 7.132 -9.956 -4.259 0.000 +ATOM 19 CA GLY 10 4.037 -13.321 -6.976 0.000 +ATOM 20 CA GLY 11 0.429 -12.130 -7.008 0.000 +ATOM 21 CA PRO 12 -2.366 -11.581 -4.492 0.000 +ATOM 22 CB PRO 12 -3.274 -12.384 -5.074 0.000 +ATOM 23 CA SER 13 -2.014 -14.302 -1.864 0.000 +ATOM 24 CB SER 13 -2.968 -14.897 -1.621 0.000 +ATOM 25 CA SER 14 -0.587 -16.718 -4.427 0.000 +ATOM 26 CB SER 14 -0.540 -16.203 -5.454 0.000 +ATOM 27 CA GLY 15 2.994 -15.845 -3.501 0.000 +ATOM 28 CA ARG 16 3.877 -13.660 -0.521 0.000 +ATOM 29 CB ARG 16 5.240 -10.966 -0.597 0.000 +ATOM 30 CA PRO 17 1.351 -11.692 1.526 0.000 +ATOM 31 CB PRO 17 2.405 -11.395 2.307 0.000 +ATOM 32 CA PRO 18 -0.362 -8.639 0.050 0.000 +ATOM 33 CB PRO 18 -1.091 -9.616 -0.517 0.000 +ATOM 34 CA PRO 19 -1.444 -5.804 2.338 0.000 +ATOM 35 CB PRO 19 -0.899 -4.976 1.430 0.000 +ATOM 36 CA SER 20 -5.136 -6.374 1.642 0.000 +ATOM 37 CB SER 20 -5.325 -6.847 0.611 0.000 +TER +CONECT 1 3 2 +CONECT 3 5 4 +CONECT 5 7 6 +CONECT 7 9 8 +CONECT 9 11 10 +CONECT 11 13 12 +CONECT 13 15 14 +CONECT 15 17 16 +CONECT 17 19 18 +CONECT 19 20 +CONECT 20 21 +CONECT 21 23 22 +CONECT 23 25 24 +CONECT 25 27 26 +CONECT 27 28 +CONECT 28 30 29 +CONECT 30 32 31 +CONECT 32 34 33 +CONECT 34 36 35 +CONECT 36 37 +ENDMDL diff --git a/examples/unres/CSA/GAB/CSA/global/restrained/1l2y_csa@023.pdb b/examples/unres/CSA/GAB/CSA/global/restrained/1l2y_csa@023.pdb new file mode 100644 index 0000000..64a15b6 --- /dev/null +++ b/examples/unres/CSA/GAB/CSA/global/restrained/1l2y_csa@023.pdb @@ -0,0 +1,61 @@ +REMARK GM 23 e 1022819 m 3172 ENERGY -8.75615E+01 +HELIX 1 H1 TYR 3 GLY 10 1 7 +ATOM 1 CA ASN 1 3.800 0.000 0.000 0.000 +ATOM 2 CB ASN 1 4.132 1.548 0.573 0.000 +ATOM 3 CA LEU 2 4.039 -3.792 0.000 0.000 +ATOM 4 CB LEU 2 3.671 -5.690 0.152 0.000 +ATOM 5 CA TYR 3 1.360 -4.041 -2.684 0.000 +ATOM 6 CB TYR 3 1.128 -1.573 -2.521 0.000 +ATOM 7 CA ILE 4 3.969 -3.744 -5.430 0.000 +ATOM 8 CB ILE 4 4.367 -2.216 -6.244 0.000 +ATOM 9 CA GLN 5 6.195 -6.240 -3.626 0.000 +ATOM 10 CB GLN 5 7.220 -4.585 -2.517 0.000 +ATOM 11 CA TRP 6 3.236 -8.582 -3.183 0.000 +ATOM 12 CB TRP 6 1.752 -10.723 -3.181 0.000 +ATOM 13 CA LEU 7 1.951 -7.792 -6.671 0.000 +ATOM 14 CB LEU 7 0.379 -6.987 -5.872 0.000 +ATOM 15 CA LYS 8 5.363 -8.578 -8.148 0.000 +ATOM 16 CB LYS 8 5.942 -6.211 -8.867 0.000 +ATOM 17 CA ASP 9 5.963 -11.382 -5.654 0.000 +ATOM 18 CB ASP 9 6.347 -10.471 -4.261 0.000 +ATOM 19 CA GLY 10 3.033 -13.372 -7.032 0.000 +ATOM 20 CA GLY 11 -0.513 -12.041 -6.732 0.000 +ATOM 21 CA PRO 12 -3.179 -11.771 -4.037 0.000 +ATOM 22 CB PRO 12 -4.144 -12.361 -4.765 0.000 +ATOM 23 CA SER 13 -2.788 -14.859 -1.857 0.000 +ATOM 24 CB SER 13 -3.723 -15.516 -1.729 0.000 +ATOM 25 CA SER 14 -1.340 -16.820 -4.772 0.000 +ATOM 26 CB SER 14 -1.261 -16.134 -5.692 0.000 +ATOM 27 CA GLY 15 2.210 -16.079 -3.637 0.000 +ATOM 28 CA ARG 16 2.492 -13.918 -0.525 0.000 +ATOM 29 CB ARG 16 4.392 -11.574 -0.400 0.000 +ATOM 30 CA PRO 17 0.038 -11.531 1.126 0.000 +ATOM 31 CB PRO 17 0.760 -11.853 2.215 0.000 +ATOM 32 CA PRO 18 -0.363 -7.906 0.059 0.000 +ATOM 33 CB PRO 18 -0.954 -8.420 -1.034 0.000 +ATOM 34 CA PRO 19 -2.134 -5.132 1.958 0.000 +ATOM 35 CB PRO 19 -1.140 -4.384 1.449 0.000 +ATOM 36 CA SER 20 -4.766 -4.718 -0.751 0.000 +ATOM 37 CB SER 20 -4.323 -5.053 -1.758 0.000 +TER +CONECT 1 3 2 +CONECT 3 5 4 +CONECT 5 7 6 +CONECT 7 9 8 +CONECT 9 11 10 +CONECT 11 13 12 +CONECT 13 15 14 +CONECT 15 17 16 +CONECT 17 19 18 +CONECT 19 20 +CONECT 20 21 +CONECT 21 23 22 +CONECT 23 25 24 +CONECT 25 27 26 +CONECT 27 28 +CONECT 28 30 29 +CONECT 30 32 31 +CONECT 32 34 33 +CONECT 34 36 35 +CONECT 36 37 +ENDMDL diff --git a/examples/unres/CSA/GAB/CSA/global/restrained/1l2y_csa@024.pdb b/examples/unres/CSA/GAB/CSA/global/restrained/1l2y_csa@024.pdb new file mode 100644 index 0000000..be79890 --- /dev/null +++ b/examples/unres/CSA/GAB/CSA/global/restrained/1l2y_csa@024.pdb @@ -0,0 +1,61 @@ +REMARK GM 24 e 1035770 m 3218 ENERGY -8.75655E+01 +HELIX 1 H1 ILE 4 GLY 10 1 6 +ATOM 1 CA ASN 1 3.800 0.000 0.000 0.000 +ATOM 2 CB ASN 1 5.241 0.835 0.247 0.000 +ATOM 3 CA LEU 2 5.632 -3.329 0.000 0.000 +ATOM 4 CB LEU 2 6.173 -4.807 -1.132 0.000 +ATOM 5 CA TYR 3 8.223 -4.134 2.660 0.000 +ATOM 6 CB TYR 3 7.521 -4.703 4.974 0.000 +ATOM 7 CA ILE 4 9.784 -7.598 2.564 0.000 +ATOM 8 CB ILE 4 9.942 -7.909 0.823 0.000 +ATOM 9 CA GLN 5 12.435 -6.495 5.054 0.000 +ATOM 10 CB GLN 5 12.434 -4.486 4.061 0.000 +ATOM 11 CA TRP 6 9.833 -6.579 7.822 0.000 +ATOM 12 CB TRP 6 9.191 -7.196 10.270 0.000 +ATOM 13 CA LEU 7 8.852 -10.101 6.787 0.000 +ATOM 14 CB LEU 7 7.043 -9.538 6.377 0.000 +ATOM 15 CA LYS 8 12.455 -11.244 7.180 0.000 +ATOM 16 CB LYS 8 12.825 -11.386 4.670 0.000 +ATOM 17 CA ASP 9 12.969 -9.064 10.250 0.000 +ATOM 18 CB ASP 9 13.273 -7.533 9.553 0.000 +ATOM 19 CA GLY 10 10.399 -11.021 12.251 0.000 +ATOM 20 CA GLY 11 6.739 -10.797 11.255 0.000 +ATOM 21 CA PRO 12 5.087 -7.386 10.982 0.000 +ATOM 22 CB PRO 12 4.272 -8.028 10.127 0.000 +ATOM 23 CA SER 13 5.754 -5.143 13.976 0.000 +ATOM 24 CB SER 13 6.487 -5.532 14.772 0.000 +ATOM 25 CA SER 14 8.155 -2.931 12.032 0.000 +ATOM 26 CB SER 14 8.195 -3.373 10.971 0.000 +ATOM 27 CA GLY 15 7.740 0.638 10.794 0.000 +ATOM 28 CA ARG 16 7.005 -0.335 7.195 0.000 +ATOM 29 CB ARG 16 9.339 -2.249 7.272 0.000 +ATOM 30 CA PRO 17 3.859 -1.985 5.844 0.000 +ATOM 31 CB PRO 17 4.365 -1.786 4.613 0.000 +ATOM 32 CA PRO 18 3.449 -5.759 6.018 0.000 +ATOM 33 CB PRO 18 2.494 -5.419 6.902 0.000 +ATOM 34 CA PRO 19 3.020 -7.659 2.755 0.000 +ATOM 35 CB PRO 19 4.324 -7.409 2.542 0.000 +ATOM 36 CA SER 20 1.582 -10.715 4.497 0.000 +ATOM 37 CB SER 20 1.839 -10.752 5.617 0.000 +TER +CONECT 1 3 2 +CONECT 3 5 4 +CONECT 5 7 6 +CONECT 7 9 8 +CONECT 9 11 10 +CONECT 11 13 12 +CONECT 13 15 14 +CONECT 15 17 16 +CONECT 17 19 18 +CONECT 19 20 +CONECT 20 21 +CONECT 21 23 22 +CONECT 23 25 24 +CONECT 25 27 26 +CONECT 27 28 +CONECT 28 30 29 +CONECT 30 32 31 +CONECT 32 34 33 +CONECT 34 36 35 +CONECT 36 37 +ENDMDL diff --git a/examples/unres/CSA/GAB/CSA/global/restrained/1l2y_csa@025.pdb b/examples/unres/CSA/GAB/CSA/global/restrained/1l2y_csa@025.pdb new file mode 100644 index 0000000..1f437f1 --- /dev/null +++ b/examples/unres/CSA/GAB/CSA/global/restrained/1l2y_csa@025.pdb @@ -0,0 +1,61 @@ +REMARK GM 25 e 1078408 m 3355 ENERGY -8.81824E+01 +HELIX 1 H1 TYR 3 GLY 10 1 7 +ATOM 1 CA ASN 1 3.800 0.000 0.000 0.000 +ATOM 2 CB ASN 1 4.191 1.493 0.673 0.000 +ATOM 3 CA LEU 2 4.039 -3.792 0.000 0.000 +ATOM 4 CB LEU 2 3.550 -5.650 0.261 0.000 +ATOM 5 CA TYR 3 1.357 -4.045 -2.679 0.000 +ATOM 6 CB TYR 3 0.815 -1.626 -2.524 0.000 +ATOM 7 CA ILE 4 3.945 -3.697 -5.440 0.000 +ATOM 8 CB ILE 4 4.287 -2.182 -6.302 0.000 +ATOM 9 CA GLN 5 6.218 -6.166 -3.658 0.000 +ATOM 10 CB GLN 5 7.230 -4.600 -2.416 0.000 +ATOM 11 CA TRP 6 3.250 -8.453 -3.026 0.000 +ATOM 12 CB TRP 6 1.714 -10.542 -2.775 0.000 +ATOM 13 CA LEU 7 1.938 -7.915 -6.552 0.000 +ATOM 14 CB LEU 7 0.457 -6.868 -5.866 0.000 +ATOM 15 CA LYS 8 5.324 -8.831 -8.013 0.000 +ATOM 16 CB LYS 8 5.877 -6.471 -8.773 0.000 +ATOM 17 CA ASP 9 5.978 -11.429 -5.318 0.000 +ATOM 18 CB ASP 9 6.505 -10.206 -4.248 0.000 +ATOM 19 CA GLY 10 3.068 -13.585 -6.470 0.000 +ATOM 20 CA GLY 11 -0.494 -12.275 -6.296 0.000 +ATOM 21 CA PRO 12 -3.095 -11.470 -3.645 0.000 +ATOM 22 CB PRO 12 -4.057 -12.293 -4.099 0.000 +ATOM 23 CA SER 13 -2.634 -13.997 -0.844 0.000 +ATOM 24 CB SER 13 -3.583 -14.542 -0.492 0.000 +ATOM 25 CA SER 14 -1.447 -16.638 -3.305 0.000 +ATOM 26 CB SER 14 -1.460 -16.210 -4.372 0.000 +ATOM 27 CA GLY 15 2.209 -15.804 -2.688 0.000 +ATOM 28 CA ARG 16 3.343 -13.437 0.060 0.000 +ATOM 29 CB ARG 16 4.909 -10.884 -0.327 0.000 +ATOM 30 CA PRO 17 1.068 -11.206 2.130 0.000 +ATOM 31 CB PRO 17 2.197 -10.940 2.810 0.000 +ATOM 32 CA PRO 18 -0.661 -8.234 0.513 0.000 +ATOM 33 CB PRO 18 -1.438 -9.236 0.064 0.000 +ATOM 34 CA PRO 19 -1.788 -5.027 2.213 0.000 +ATOM 35 CB PRO 19 -0.859 -4.217 1.676 0.000 +ATOM 36 CA SER 20 -3.789 -3.856 -0.797 0.000 +ATOM 37 CB SER 20 -3.152 -3.835 -1.754 0.000 +TER +CONECT 1 3 2 +CONECT 3 5 4 +CONECT 5 7 6 +CONECT 7 9 8 +CONECT 9 11 10 +CONECT 11 13 12 +CONECT 13 15 14 +CONECT 15 17 16 +CONECT 17 19 18 +CONECT 19 20 +CONECT 20 21 +CONECT 21 23 22 +CONECT 23 25 24 +CONECT 25 27 26 +CONECT 27 28 +CONECT 28 30 29 +CONECT 30 32 31 +CONECT 32 34 33 +CONECT 34 36 35 +CONECT 36 37 +ENDMDL diff --git a/examples/unres/CSA/GAB/CSA/global/restrained/1l2y_csa@026.pdb b/examples/unres/CSA/GAB/CSA/global/restrained/1l2y_csa@026.pdb new file mode 100644 index 0000000..55dad9b --- /dev/null +++ b/examples/unres/CSA/GAB/CSA/global/restrained/1l2y_csa@026.pdb @@ -0,0 +1,61 @@ +REMARK GM 26 e 1164002 m 3631 ENERGY -8.87397E+01 +HELIX 1 H1 TYR 3 GLY 10 1 7 +ATOM 1 CA ASN 1 3.800 0.000 0.000 0.000 +ATOM 2 CB ASN 1 5.438 0.363 0.142 0.000 +ATOM 3 CA LEU 2 4.060 -3.791 0.000 0.000 +ATOM 4 CB LEU 2 3.718 -5.673 -0.319 0.000 +ATOM 5 CA TYR 3 6.096 -3.749 -3.208 0.000 +ATOM 6 CB TYR 3 5.788 -1.312 -3.572 0.000 +ATOM 7 CA ILE 4 9.306 -3.437 -1.198 0.000 +ATOM 8 CB ILE 4 10.075 -1.886 -0.805 0.000 +ATOM 9 CA GLN 5 8.237 -6.382 0.954 0.000 +ATOM 10 CB GLN 5 7.229 -4.999 2.400 0.000 +ATOM 11 CA TRP 6 7.042 -8.218 -2.151 0.000 +ATOM 12 CB TRP 6 7.346 -10.392 -3.553 0.000 +ATOM 13 CA LEU 7 10.225 -7.288 -4.006 0.000 +ATOM 14 CB LEU 7 9.393 -5.910 -5.087 0.000 +ATOM 15 CA LYS 8 12.313 -8.755 -1.191 0.000 +ATOM 16 CB LYS 8 12.920 -6.470 -0.260 0.000 +ATOM 17 CA ASP 9 10.083 -11.822 -0.942 0.000 +ATOM 18 CB ASP 9 8.775 -11.328 0.041 0.000 +ATOM 19 CA GLY 10 11.144 -13.029 -4.385 0.000 +ATOM 20 CA GLY 11 9.828 -10.828 -7.190 0.000 +ATOM 21 CA PRO 12 6.058 -10.497 -7.525 0.000 +ATOM 22 CB PRO 12 6.147 -9.155 -7.521 0.000 +ATOM 23 CA SER 13 5.551 -14.190 -8.265 0.000 +ATOM 24 CB SER 13 6.516 -14.784 -8.462 0.000 +ATOM 25 CA SER 14 5.191 -15.229 -4.627 0.000 +ATOM 26 CB SER 14 4.900 -14.317 -3.989 0.000 +ATOM 27 CA GLY 15 2.106 -17.046 -3.354 0.000 +ATOM 28 CA ARG 16 0.554 -13.977 -1.737 0.000 +ATOM 29 CB ARG 16 2.854 -12.136 -1.073 0.000 +ATOM 30 CA PRO 17 -0.612 -10.829 -3.518 0.000 +ATOM 31 CB PRO 17 -1.530 -10.911 -2.539 0.000 +ATOM 32 CA PRO 18 1.931 -8.083 -4.175 0.000 +ATOM 33 CB PRO 18 2.759 -9.129 -4.351 0.000 +ATOM 34 CA PRO 19 0.528 -4.692 -5.160 0.000 +ATOM 35 CB PRO 19 1.313 -3.958 -4.351 0.000 +ATOM 36 CA SER 20 3.259 -4.025 -7.717 0.000 +ATOM 37 CB SER 20 4.308 -4.148 -7.263 0.000 +TER +CONECT 1 3 2 +CONECT 3 5 4 +CONECT 5 7 6 +CONECT 7 9 8 +CONECT 9 11 10 +CONECT 11 13 12 +CONECT 13 15 14 +CONECT 15 17 16 +CONECT 17 19 18 +CONECT 19 20 +CONECT 20 21 +CONECT 21 23 22 +CONECT 23 25 24 +CONECT 25 27 26 +CONECT 27 28 +CONECT 28 30 29 +CONECT 30 32 31 +CONECT 32 34 33 +CONECT 34 36 35 +CONECT 36 37 +ENDMDL diff --git a/examples/unres/CSA/GAB/CSA/global/restrained/1l2y_csa@027.pdb b/examples/unres/CSA/GAB/CSA/global/restrained/1l2y_csa@027.pdb new file mode 100644 index 0000000..29146ce --- /dev/null +++ b/examples/unres/CSA/GAB/CSA/global/restrained/1l2y_csa@027.pdb @@ -0,0 +1,61 @@ +REMARK GM 27 e 1271032 m 3993 ENERGY -8.93247E+01 +HELIX 1 H1 TYR 3 GLY 10 1 7 +ATOM 1 CA ASN 1 3.800 0.000 0.000 0.000 +ATOM 2 CB ASN 1 5.439 0.371 0.116 0.000 +ATOM 3 CA LEU 2 4.059 -3.791 0.000 0.000 +ATOM 4 CB LEU 2 3.807 -5.640 -0.529 0.000 +ATOM 5 CA TYR 3 6.160 -3.731 -3.166 0.000 +ATOM 6 CB TYR 3 5.808 -1.309 -3.591 0.000 +ATOM 7 CA ILE 4 9.342 -3.274 -1.139 0.000 +ATOM 8 CB ILE 4 10.123 -1.699 -0.883 0.000 +ATOM 9 CA GLN 5 8.209 -5.957 1.301 0.000 +ATOM 10 CB GLN 5 7.102 -4.509 2.603 0.000 +ATOM 11 CA TRP 6 7.149 -8.165 -1.604 0.000 +ATOM 12 CB TRP 6 6.735 -10.213 -3.159 0.000 +ATOM 13 CA LEU 7 10.304 -7.326 -3.548 0.000 +ATOM 14 CB LEU 7 9.272 -6.273 -4.807 0.000 +ATOM 15 CA LYS 8 12.461 -8.252 -0.560 0.000 +ATOM 16 CB LYS 8 13.149 -5.862 -0.041 0.000 +ATOM 17 CA ASP 9 10.124 -11.065 0.476 0.000 +ATOM 18 CB ASP 9 9.102 -9.943 1.261 0.000 +ATOM 19 CA GLY 10 10.817 -13.026 -2.704 0.000 +ATOM 20 CA GLY 11 9.851 -11.614 -6.097 0.000 +ATOM 21 CA PRO 12 6.690 -10.925 -8.091 0.000 +ATOM 22 CB PRO 12 6.997 -11.682 -9.160 0.000 +ATOM 23 CA SER 13 4.208 -13.665 -7.210 0.000 +ATOM 24 CB SER 13 3.715 -14.206 -8.096 0.000 +ATOM 25 CA SER 14 7.025 -16.153 -6.644 0.000 +ATOM 26 CB SER 14 8.036 -15.643 -6.844 0.000 +ATOM 27 CA GLY 15 7.086 -15.483 -2.904 0.000 +ATOM 28 CA ARG 16 4.464 -13.365 -1.150 0.000 +ATOM 29 CB ARG 16 4.992 -10.844 0.428 0.000 +ATOM 30 CA PRO 17 1.849 -11.218 -2.879 0.000 +ATOM 31 CB PRO 17 1.385 -11.046 -1.629 0.000 +ATOM 32 CA PRO 18 2.907 -8.083 -4.748 0.000 +ATOM 33 CB PRO 18 3.251 -9.024 -5.645 0.000 +ATOM 34 CA PRO 19 0.830 -4.957 -5.346 0.000 +ATOM 35 CB PRO 19 1.502 -4.146 -4.509 0.000 +ATOM 36 CA SER 20 3.293 -3.514 -7.855 0.000 +ATOM 37 CB SER 20 4.354 -3.428 -7.419 0.000 +TER +CONECT 1 3 2 +CONECT 3 5 4 +CONECT 5 7 6 +CONECT 7 9 8 +CONECT 9 11 10 +CONECT 11 13 12 +CONECT 13 15 14 +CONECT 15 17 16 +CONECT 17 19 18 +CONECT 19 20 +CONECT 20 21 +CONECT 21 23 22 +CONECT 23 25 24 +CONECT 25 27 26 +CONECT 27 28 +CONECT 28 30 29 +CONECT 30 32 31 +CONECT 32 34 33 +CONECT 34 36 35 +CONECT 36 37 +ENDMDL diff --git a/examples/unres/CSA/GAB/CSA/global/restrained/1l2y_csa@028.pdb b/examples/unres/CSA/GAB/CSA/global/restrained/1l2y_csa@028.pdb new file mode 100644 index 0000000..ecdcedb --- /dev/null +++ b/examples/unres/CSA/GAB/CSA/global/restrained/1l2y_csa@028.pdb @@ -0,0 +1,61 @@ +REMARK GM 28 e 1480855 m 4701 ENERGY -8.93250E+01 +HELIX 1 H1 TYR 3 GLY 10 1 7 +ATOM 1 CA ASN 1 3.800 0.000 0.000 0.000 +ATOM 2 CB ASN 1 5.438 0.372 0.125 0.000 +ATOM 3 CA LEU 2 4.059 -3.791 0.000 0.000 +ATOM 4 CB LEU 2 3.804 -5.640 -0.526 0.000 +ATOM 5 CA TYR 3 6.137 -3.731 -3.181 0.000 +ATOM 6 CB TYR 3 5.781 -1.308 -3.598 0.000 +ATOM 7 CA ILE 4 9.333 -3.271 -1.178 0.000 +ATOM 8 CB ILE 4 10.107 -1.693 -0.923 0.000 +ATOM 9 CA GLN 5 8.220 -5.955 1.271 0.000 +ATOM 10 CB GLN 5 7.124 -4.504 2.579 0.000 +ATOM 11 CA TRP 6 7.140 -8.164 -1.626 0.000 +ATOM 12 CB TRP 6 6.715 -10.213 -3.177 0.000 +ATOM 13 CA LEU 7 10.280 -7.324 -3.593 0.000 +ATOM 14 CB LEU 7 9.237 -6.275 -4.847 0.000 +ATOM 15 CA LYS 8 12.459 -8.246 -0.620 0.000 +ATOM 16 CB LYS 8 13.147 -5.855 -0.106 0.000 +ATOM 17 CA ASP 9 10.133 -11.060 0.434 0.000 +ATOM 18 CB ASP 9 9.115 -9.939 1.226 0.000 +ATOM 19 CA GLY 10 10.803 -13.021 -2.751 0.000 +ATOM 20 CA GLY 11 9.810 -11.611 -6.137 0.000 +ATOM 21 CA PRO 12 6.634 -10.927 -8.108 0.000 +ATOM 22 CB PRO 12 6.934 -11.683 -9.179 0.000 +ATOM 23 CA SER 13 4.162 -13.668 -7.207 0.000 +ATOM 24 CB SER 13 3.662 -14.210 -8.090 0.000 +ATOM 25 CA SER 14 6.984 -16.154 -6.662 0.000 +ATOM 26 CB SER 14 7.993 -15.643 -6.869 0.000 +ATOM 27 CA GLY 15 7.072 -15.482 -2.922 0.000 +ATOM 28 CA ARG 16 4.462 -13.365 -1.150 0.000 +ATOM 29 CB ARG 16 5.000 -10.843 0.423 0.000 +ATOM 30 CA PRO 17 1.833 -11.221 -2.861 0.000 +ATOM 31 CB PRO 17 1.377 -11.049 -1.608 0.000 +ATOM 32 CA PRO 18 2.874 -8.086 -4.739 0.000 +ATOM 33 CB PRO 18 3.212 -9.027 -5.638 0.000 +ATOM 34 CA PRO 19 0.793 -4.961 -5.323 0.000 +ATOM 35 CB PRO 19 1.471 -4.149 -4.491 0.000 +ATOM 36 CA SER 20 3.236 -3.518 -7.850 0.000 +ATOM 37 CB SER 20 4.299 -3.429 -7.421 0.000 +TER +CONECT 1 3 2 +CONECT 3 5 4 +CONECT 5 7 6 +CONECT 7 9 8 +CONECT 9 11 10 +CONECT 11 13 12 +CONECT 13 15 14 +CONECT 15 17 16 +CONECT 17 19 18 +CONECT 19 20 +CONECT 20 21 +CONECT 21 23 22 +CONECT 23 25 24 +CONECT 25 27 26 +CONECT 27 28 +CONECT 28 30 29 +CONECT 30 32 31 +CONECT 32 34 33 +CONECT 34 36 35 +CONECT 36 37 +ENDMDL diff --git a/examples/unres/CSA/GAB/CSA/global/restrained/1l2y_csa@029.pdb b/examples/unres/CSA/GAB/CSA/global/restrained/1l2y_csa@029.pdb new file mode 100644 index 0000000..4d1bf29 --- /dev/null +++ b/examples/unres/CSA/GAB/CSA/global/restrained/1l2y_csa@029.pdb @@ -0,0 +1,61 @@ +REMARK GM 29 e 1501986 m 4780 ENERGY -8.93252E+01 +HELIX 1 H1 TYR 3 GLY 10 1 7 +ATOM 1 CA ASN 1 3.800 0.000 0.000 0.000 +ATOM 2 CB ASN 1 5.438 0.371 0.121 0.000 +ATOM 3 CA LEU 2 4.059 -3.791 0.000 0.000 +ATOM 4 CB LEU 2 3.806 -5.640 -0.526 0.000 +ATOM 5 CA TYR 3 6.141 -3.730 -3.178 0.000 +ATOM 6 CB TYR 3 5.785 -1.308 -3.599 0.000 +ATOM 7 CA ILE 4 9.334 -3.268 -1.170 0.000 +ATOM 8 CB ILE 4 10.113 -1.691 -0.919 0.000 +ATOM 9 CA GLN 5 8.219 -5.951 1.278 0.000 +ATOM 10 CB GLN 5 7.119 -4.502 2.585 0.000 +ATOM 11 CA TRP 6 7.145 -8.162 -1.619 0.000 +ATOM 12 CB TRP 6 6.724 -10.212 -3.170 0.000 +ATOM 13 CA LEU 7 10.288 -7.321 -3.582 0.000 +ATOM 14 CB LEU 7 9.247 -6.270 -4.837 0.000 +ATOM 15 CA LYS 8 12.463 -8.241 -0.605 0.000 +ATOM 16 CB LYS 8 13.150 -5.849 -0.092 0.000 +ATOM 17 CA ASP 9 10.136 -11.056 0.446 0.000 +ATOM 18 CB ASP 9 9.117 -9.935 1.236 0.000 +ATOM 19 CA GLY 10 10.813 -13.018 -2.737 0.000 +ATOM 20 CA GLY 11 9.825 -11.610 -6.125 0.000 +ATOM 21 CA PRO 12 6.652 -10.928 -8.102 0.000 +ATOM 22 CB PRO 12 6.954 -11.685 -9.172 0.000 +ATOM 23 CA SER 13 4.180 -13.671 -7.204 0.000 +ATOM 24 CB SER 13 3.682 -14.213 -8.088 0.000 +ATOM 25 CA SER 14 7.003 -16.154 -6.653 0.000 +ATOM 26 CB SER 14 8.012 -15.642 -6.858 0.000 +ATOM 27 CA GLY 15 7.085 -15.481 -2.913 0.000 +ATOM 28 CA ARG 16 4.470 -13.365 -1.146 0.000 +ATOM 29 CB ARG 16 5.003 -10.842 0.426 0.000 +ATOM 30 CA PRO 17 1.842 -11.223 -2.863 0.000 +ATOM 31 CB PRO 17 1.385 -11.051 -1.610 0.000 +ATOM 32 CA PRO 18 2.885 -8.088 -4.739 0.000 +ATOM 33 CB PRO 18 3.225 -9.029 -5.638 0.000 +ATOM 34 CA PRO 19 0.801 -4.965 -5.328 0.000 +ATOM 35 CB PRO 19 1.477 -4.152 -4.495 0.000 +ATOM 36 CA SER 20 3.248 -3.521 -7.851 0.000 +ATOM 37 CB SER 20 4.311 -3.432 -7.421 0.000 +TER +CONECT 1 3 2 +CONECT 3 5 4 +CONECT 5 7 6 +CONECT 7 9 8 +CONECT 9 11 10 +CONECT 11 13 12 +CONECT 13 15 14 +CONECT 15 17 16 +CONECT 17 19 18 +CONECT 19 20 +CONECT 20 21 +CONECT 21 23 22 +CONECT 23 25 24 +CONECT 25 27 26 +CONECT 27 28 +CONECT 28 30 29 +CONECT 30 32 31 +CONECT 32 34 33 +CONECT 34 36 35 +CONECT 36 37 +ENDMDL diff --git a/examples/unres/CSA/GAB/CSA/global/restrained/1l2y_csa@030.pdb b/examples/unres/CSA/GAB/CSA/global/restrained/1l2y_csa@030.pdb new file mode 100644 index 0000000..ca77b18 --- /dev/null +++ b/examples/unres/CSA/GAB/CSA/global/restrained/1l2y_csa@030.pdb @@ -0,0 +1,61 @@ +REMARK GM 30 e 1655427 m 5325 ENERGY -8.93252E+01 +HELIX 1 H1 TYR 3 GLY 10 1 7 +ATOM 1 CA ASN 1 3.800 0.000 0.000 0.000 +ATOM 2 CB ASN 1 5.438 0.371 0.122 0.000 +ATOM 3 CA LEU 2 4.059 -3.791 0.000 0.000 +ATOM 4 CB LEU 2 3.806 -5.640 -0.526 0.000 +ATOM 5 CA TYR 3 6.138 -3.730 -3.181 0.000 +ATOM 6 CB TYR 3 5.780 -1.308 -3.600 0.000 +ATOM 7 CA ILE 4 9.333 -3.266 -1.177 0.000 +ATOM 8 CB ILE 4 10.111 -1.689 -0.926 0.000 +ATOM 9 CA GLN 5 8.221 -5.950 1.274 0.000 +ATOM 10 CB GLN 5 7.122 -4.501 2.581 0.000 +ATOM 11 CA TRP 6 7.144 -8.161 -1.623 0.000 +ATOM 12 CB TRP 6 6.722 -10.212 -3.173 0.000 +ATOM 13 CA LEU 7 10.284 -7.319 -3.589 0.000 +ATOM 14 CB LEU 7 9.242 -6.269 -4.843 0.000 +ATOM 15 CA LYS 8 12.463 -8.239 -0.615 0.000 +ATOM 16 CB LYS 8 13.150 -5.846 -0.103 0.000 +ATOM 17 CA ASP 9 10.139 -11.054 0.439 0.000 +ATOM 18 CB ASP 9 9.120 -9.933 1.231 0.000 +ATOM 19 CA GLY 10 10.813 -13.016 -2.744 0.000 +ATOM 20 CA GLY 11 9.820 -11.608 -6.131 0.000 +ATOM 21 CA PRO 12 6.644 -10.928 -8.104 0.000 +ATOM 22 CB PRO 12 6.945 -11.685 -9.175 0.000 +ATOM 23 CA SER 13 4.174 -13.671 -7.203 0.000 +ATOM 24 CB SER 13 3.675 -14.214 -8.086 0.000 +ATOM 25 CA SER 14 6.998 -16.153 -6.655 0.000 +ATOM 26 CB SER 14 8.007 -15.642 -6.862 0.000 +ATOM 27 CA GLY 15 7.085 -15.480 -2.916 0.000 +ATOM 28 CA ARG 16 4.471 -13.365 -1.146 0.000 +ATOM 29 CB ARG 16 5.005 -10.842 0.426 0.000 +ATOM 30 CA PRO 17 1.841 -11.224 -2.860 0.000 +ATOM 31 CB PRO 17 1.385 -11.052 -1.606 0.000 +ATOM 32 CA PRO 18 2.880 -8.088 -4.738 0.000 +ATOM 33 CB PRO 18 3.219 -9.030 -5.636 0.000 +ATOM 34 CA PRO 19 0.796 -4.966 -5.323 0.000 +ATOM 35 CB PRO 19 1.472 -4.153 -4.492 0.000 +ATOM 36 CA SER 20 3.239 -3.521 -7.850 0.000 +ATOM 37 CB SER 20 4.302 -3.432 -7.421 0.000 +TER +CONECT 1 3 2 +CONECT 3 5 4 +CONECT 5 7 6 +CONECT 7 9 8 +CONECT 9 11 10 +CONECT 11 13 12 +CONECT 13 15 14 +CONECT 15 17 16 +CONECT 17 19 18 +CONECT 19 20 +CONECT 20 21 +CONECT 21 23 22 +CONECT 23 25 24 +CONECT 25 27 26 +CONECT 27 28 +CONECT 28 30 29 +CONECT 30 32 31 +CONECT 32 34 33 +CONECT 34 36 35 +CONECT 36 37 +ENDMDL diff --git a/examples/unres/CSA/GAB/CSA/global/restrained/1l2y_csa@031.pdb b/examples/unres/CSA/GAB/CSA/global/restrained/1l2y_csa@031.pdb new file mode 100644 index 0000000..18cdf34 --- /dev/null +++ b/examples/unres/CSA/GAB/CSA/global/restrained/1l2y_csa@031.pdb @@ -0,0 +1,61 @@ +REMARK GM 31 e 1805317 m 5834 ENERGY -9.06691E+01 +HELIX 1 H1 TYR 3 GLY 10 1 7 +ATOM 1 CA ASN 1 3.800 0.000 0.000 0.000 +ATOM 2 CB ASN 1 5.417 0.450 0.143 0.000 +ATOM 3 CA LEU 2 4.057 -3.791 0.000 0.000 +ATOM 4 CB LEU 2 3.544 -5.607 -0.449 0.000 +ATOM 5 CA TYR 3 6.089 -3.751 -3.211 0.000 +ATOM 6 CB TYR 3 5.960 -1.303 -3.614 0.000 +ATOM 7 CA ILE 4 9.310 -3.119 -1.296 0.000 +ATOM 8 CB ILE 4 10.010 -1.507 -1.040 0.000 +ATOM 9 CA GLN 5 8.355 -5.735 1.289 0.000 +ATOM 10 CB GLN 5 7.178 -4.213 2.437 0.000 +ATOM 11 CA TRP 6 7.224 -8.073 -1.485 0.000 +ATOM 12 CB TRP 6 5.683 -10.029 -2.248 0.000 +ATOM 13 CA LEU 7 10.288 -7.190 -3.552 0.000 +ATOM 14 CB LEU 7 9.091 -6.511 -4.917 0.000 +ATOM 15 CA LYS 8 12.545 -7.848 -0.566 0.000 +ATOM 16 CB LYS 8 12.955 -5.459 0.196 0.000 +ATOM 17 CA ASP 9 10.772 -11.115 0.223 0.000 +ATOM 18 CB ASP 9 9.380 -10.349 0.852 0.000 +ATOM 19 CA GLY 10 12.510 -12.797 -2.708 0.000 +ATOM 20 CA GLY 11 11.107 -10.920 -5.699 0.000 +ATOM 21 CA PRO 12 7.487 -12.043 -5.418 0.000 +ATOM 22 CB PRO 12 7.013 -10.961 -6.062 0.000 +ATOM 23 CA SER 13 8.451 -15.445 -4.027 0.000 +ATOM 24 CB SER 13 9.576 -15.580 -3.830 0.000 +ATOM 25 CA SER 14 7.469 -14.597 -0.456 0.000 +ATOM 26 CB SER 14 7.218 -13.486 -0.299 0.000 +ATOM 27 CA GLY 15 4.251 -15.811 1.161 0.000 +ATOM 28 CA ARG 16 2.302 -12.642 0.385 0.000 +ATOM 29 CB ARG 16 4.176 -10.420 1.202 0.000 +ATOM 30 CA PRO 17 0.623 -11.537 -2.840 0.000 +ATOM 31 CB PRO 17 0.190 -10.549 -2.036 0.000 +ATOM 32 CA PRO 18 2.789 -10.619 -5.824 0.000 +ATOM 33 CB PRO 18 1.937 -11.423 -6.485 0.000 +ATOM 34 CA PRO 19 3.042 -6.971 -6.856 0.000 +ATOM 35 CB PRO 19 3.807 -6.955 -5.750 0.000 +ATOM 36 CA SER 20 3.210 -6.199 -10.573 0.000 +ATOM 37 CB SER 20 4.278 -6.061 -10.979 0.000 +TER +CONECT 1 3 2 +CONECT 3 5 4 +CONECT 5 7 6 +CONECT 7 9 8 +CONECT 9 11 10 +CONECT 11 13 12 +CONECT 13 15 14 +CONECT 15 17 16 +CONECT 17 19 18 +CONECT 19 20 +CONECT 20 21 +CONECT 21 23 22 +CONECT 23 25 24 +CONECT 25 27 26 +CONECT 27 28 +CONECT 28 30 29 +CONECT 30 32 31 +CONECT 32 34 33 +CONECT 34 36 35 +CONECT 36 37 +ENDMDL diff --git a/examples/unres/CSA/GAB/CSA/global/restrained/1l2y_csa@032.pdb b/examples/unres/CSA/GAB/CSA/global/restrained/1l2y_csa@032.pdb new file mode 100644 index 0000000..6db277b --- /dev/null +++ b/examples/unres/CSA/GAB/CSA/global/restrained/1l2y_csa@032.pdb @@ -0,0 +1,61 @@ +REMARK GM 32 e 1939035 m 6283 ENERGY -9.06697E+01 +HELIX 1 H1 TYR 3 GLY 10 1 7 +ATOM 1 CA ASN 1 3.800 0.000 0.000 0.000 +ATOM 2 CB ASN 1 5.416 0.450 0.144 0.000 +ATOM 3 CA LEU 2 4.056 -3.791 0.000 0.000 +ATOM 4 CB LEU 2 3.542 -5.607 -0.448 0.000 +ATOM 5 CA TYR 3 6.088 -3.750 -3.211 0.000 +ATOM 6 CB TYR 3 5.960 -1.303 -3.616 0.000 +ATOM 7 CA ILE 4 9.310 -3.119 -1.297 0.000 +ATOM 8 CB ILE 4 10.008 -1.506 -1.042 0.000 +ATOM 9 CA GLN 5 8.354 -5.732 1.291 0.000 +ATOM 10 CB GLN 5 7.177 -4.208 2.435 0.000 +ATOM 11 CA TRP 6 7.225 -8.072 -1.482 0.000 +ATOM 12 CB TRP 6 5.680 -10.027 -2.243 0.000 +ATOM 13 CA LEU 7 10.288 -7.188 -3.550 0.000 +ATOM 14 CB LEU 7 9.087 -6.519 -4.917 0.000 +ATOM 15 CA LYS 8 12.545 -7.845 -0.563 0.000 +ATOM 16 CB LYS 8 12.955 -5.456 0.199 0.000 +ATOM 17 CA ASP 9 10.773 -11.112 0.226 0.000 +ATOM 18 CB ASP 9 9.379 -10.350 0.855 0.000 +ATOM 19 CA GLY 10 12.505 -12.791 -2.710 0.000 +ATOM 20 CA GLY 11 11.098 -10.920 -5.703 0.000 +ATOM 21 CA PRO 12 7.480 -12.044 -5.415 0.000 +ATOM 22 CB PRO 12 7.004 -10.963 -6.059 0.000 +ATOM 23 CA SER 13 8.448 -15.445 -4.023 0.000 +ATOM 24 CB SER 13 9.573 -15.579 -3.827 0.000 +ATOM 25 CA SER 14 7.468 -14.596 -0.451 0.000 +ATOM 26 CB SER 14 7.216 -13.485 -0.295 0.000 +ATOM 27 CA GLY 15 4.252 -15.811 1.167 0.000 +ATOM 28 CA ARG 16 2.302 -12.642 0.394 0.000 +ATOM 29 CB ARG 16 4.176 -10.418 1.207 0.000 +ATOM 30 CA PRO 17 0.616 -11.536 -2.827 0.000 +ATOM 31 CB PRO 17 0.184 -10.549 -2.023 0.000 +ATOM 32 CA PRO 18 2.778 -10.618 -5.814 0.000 +ATOM 33 CB PRO 18 1.926 -11.422 -6.475 0.000 +ATOM 34 CA PRO 19 3.032 -6.971 -6.850 0.000 +ATOM 35 CB PRO 19 3.799 -6.955 -5.745 0.000 +ATOM 36 CA SER 20 3.200 -6.201 -10.567 0.000 +ATOM 37 CB SER 20 4.268 -6.064 -10.972 0.000 +TER +CONECT 1 3 2 +CONECT 3 5 4 +CONECT 5 7 6 +CONECT 7 9 8 +CONECT 9 11 10 +CONECT 11 13 12 +CONECT 13 15 14 +CONECT 15 17 16 +CONECT 17 19 18 +CONECT 19 20 +CONECT 20 21 +CONECT 21 23 22 +CONECT 23 25 24 +CONECT 25 27 26 +CONECT 27 28 +CONECT 28 30 29 +CONECT 30 32 31 +CONECT 32 34 33 +CONECT 34 36 35 +CONECT 36 37 +ENDMDL diff --git a/examples/unres/CSA/GAB/CSA/global/restrained/1l2y_csa@033.pdb b/examples/unres/CSA/GAB/CSA/global/restrained/1l2y_csa@033.pdb new file mode 100644 index 0000000..df416de --- /dev/null +++ b/examples/unres/CSA/GAB/CSA/global/restrained/1l2y_csa@033.pdb @@ -0,0 +1,61 @@ +REMARK GM 33 e 1995503 m 6460 ENERGY -9.06697E+01 +HELIX 1 H1 TYR 3 GLY 10 1 7 +ATOM 1 CA ASN 1 3.800 0.000 0.000 0.000 +ATOM 2 CB ASN 1 5.417 0.449 0.143 0.000 +ATOM 3 CA LEU 2 4.056 -3.791 0.000 0.000 +ATOM 4 CB LEU 2 3.542 -5.607 -0.448 0.000 +ATOM 5 CA TYR 3 6.088 -3.751 -3.211 0.000 +ATOM 6 CB TYR 3 5.960 -1.303 -3.616 0.000 +ATOM 7 CA ILE 4 9.310 -3.120 -1.297 0.000 +ATOM 8 CB ILE 4 10.008 -1.507 -1.042 0.000 +ATOM 9 CA GLN 5 8.353 -5.733 1.290 0.000 +ATOM 10 CB GLN 5 7.177 -4.209 2.435 0.000 +ATOM 11 CA TRP 6 7.224 -8.073 -1.483 0.000 +ATOM 12 CB TRP 6 5.680 -10.029 -2.243 0.000 +ATOM 13 CA LEU 7 10.287 -7.189 -3.550 0.000 +ATOM 14 CB LEU 7 9.087 -6.518 -4.917 0.000 +ATOM 15 CA LYS 8 12.544 -7.846 -0.564 0.000 +ATOM 16 CB LYS 8 12.955 -5.458 0.198 0.000 +ATOM 17 CA ASP 9 10.772 -11.114 0.226 0.000 +ATOM 18 CB ASP 9 9.379 -10.350 0.855 0.000 +ATOM 19 CA GLY 10 12.507 -12.794 -2.708 0.000 +ATOM 20 CA GLY 11 11.100 -10.921 -5.700 0.000 +ATOM 21 CA PRO 12 7.482 -12.045 -5.414 0.000 +ATOM 22 CB PRO 12 7.006 -10.964 -6.058 0.000 +ATOM 23 CA SER 13 8.449 -15.446 -4.023 0.000 +ATOM 24 CB SER 13 9.574 -15.581 -3.826 0.000 +ATOM 25 CA SER 14 7.468 -14.598 -0.451 0.000 +ATOM 26 CB SER 14 7.216 -13.487 -0.295 0.000 +ATOM 27 CA GLY 15 4.251 -15.812 1.167 0.000 +ATOM 28 CA ARG 16 2.302 -12.643 0.393 0.000 +ATOM 29 CB ARG 16 4.175 -10.418 1.207 0.000 +ATOM 30 CA PRO 17 0.618 -11.537 -2.829 0.000 +ATOM 31 CB PRO 17 0.185 -10.550 -2.025 0.000 +ATOM 32 CA PRO 18 2.781 -10.620 -5.815 0.000 +ATOM 33 CB PRO 18 1.929 -11.424 -6.476 0.000 +ATOM 34 CA PRO 19 3.034 -6.972 -6.851 0.000 +ATOM 35 CB PRO 19 3.801 -6.956 -5.746 0.000 +ATOM 36 CA SER 20 3.203 -6.204 -10.569 0.000 +ATOM 37 CB SER 20 4.271 -6.068 -10.974 0.000 +TER +CONECT 1 3 2 +CONECT 3 5 4 +CONECT 5 7 6 +CONECT 7 9 8 +CONECT 9 11 10 +CONECT 11 13 12 +CONECT 13 15 14 +CONECT 15 17 16 +CONECT 17 19 18 +CONECT 19 20 +CONECT 20 21 +CONECT 21 23 22 +CONECT 23 25 24 +CONECT 25 27 26 +CONECT 27 28 +CONECT 28 30 29 +CONECT 30 32 31 +CONECT 32 34 33 +CONECT 34 36 35 +CONECT 36 37 +ENDMDL diff --git a/examples/unres/CSA/GAB/CSA/global/restrained/1l2y_csa@034.pdb b/examples/unres/CSA/GAB/CSA/global/restrained/1l2y_csa@034.pdb new file mode 100644 index 0000000..c60032b --- /dev/null +++ b/examples/unres/CSA/GAB/CSA/global/restrained/1l2y_csa@034.pdb @@ -0,0 +1,61 @@ +REMARK GM 34 e 2617988 m 8654 ENERGY -9.07454E+01 +HELIX 1 H1 TYR 3 GLY 10 1 7 +ATOM 1 CA ASN 1 3.800 0.000 0.000 0.000 +ATOM 2 CB ASN 1 5.417 0.449 0.144 0.000 +ATOM 3 CA LEU 2 4.056 -3.791 0.000 0.000 +ATOM 4 CB LEU 2 3.541 -5.605 -0.454 0.000 +ATOM 5 CA TYR 3 6.088 -3.750 -3.210 0.000 +ATOM 6 CB TYR 3 5.968 -1.302 -3.614 0.000 +ATOM 7 CA ILE 4 9.309 -3.115 -1.295 0.000 +ATOM 8 CB ILE 4 10.008 -1.502 -1.047 0.000 +ATOM 9 CA GLN 5 8.356 -5.730 1.293 0.000 +ATOM 10 CB GLN 5 7.178 -4.203 2.432 0.000 +ATOM 11 CA TRP 6 7.229 -8.070 -1.481 0.000 +ATOM 12 CB TRP 6 5.676 -10.016 -2.248 0.000 +ATOM 13 CA LEU 7 10.295 -7.188 -3.545 0.000 +ATOM 14 CB LEU 7 9.091 -6.498 -4.899 0.000 +ATOM 15 CA LYS 8 12.549 -7.850 -0.558 0.000 +ATOM 16 CB LYS 8 12.951 -5.460 0.208 0.000 +ATOM 17 CA ASP 9 10.778 -11.120 0.221 0.000 +ATOM 18 CB ASP 9 9.384 -10.358 0.850 0.000 +ATOM 19 CA GLY 10 12.509 -12.790 -2.721 0.000 +ATOM 20 CA GLY 11 11.097 -10.912 -5.707 0.000 +ATOM 21 CA PRO 12 7.479 -12.038 -5.424 0.000 +ATOM 22 CB PRO 12 6.994 -10.953 -6.054 0.000 +ATOM 23 CA SER 13 8.448 -15.442 -4.041 0.000 +ATOM 24 CB SER 13 9.574 -15.576 -3.846 0.000 +ATOM 25 CA SER 14 7.474 -14.595 -0.467 0.000 +ATOM 26 CB SER 14 7.221 -13.484 -0.313 0.000 +ATOM 27 CA GLY 15 4.261 -15.803 1.164 0.000 +ATOM 28 CA ARG 16 2.316 -12.629 0.400 0.000 +ATOM 29 CB ARG 16 4.190 -10.403 1.210 0.000 +ATOM 30 CA PRO 17 0.608 -11.522 -2.809 0.000 +ATOM 31 CB PRO 17 0.176 -10.539 -1.998 0.000 +ATOM 32 CA PRO 18 2.741 -10.596 -5.815 0.000 +ATOM 33 CB PRO 18 1.881 -11.397 -6.470 0.000 +ATOM 34 CA PRO 19 2.971 -6.942 -6.833 0.000 +ATOM 35 CB PRO 19 3.769 -6.936 -5.750 0.000 +ATOM 36 CA SER 20 2.872 -6.165 -10.552 0.000 +ATOM 37 CB SER 20 2.063 -5.388 -10.805 0.000 +TER +CONECT 1 3 2 +CONECT 3 5 4 +CONECT 5 7 6 +CONECT 7 9 8 +CONECT 9 11 10 +CONECT 11 13 12 +CONECT 13 15 14 +CONECT 15 17 16 +CONECT 17 19 18 +CONECT 19 20 +CONECT 20 21 +CONECT 21 23 22 +CONECT 23 25 24 +CONECT 25 27 26 +CONECT 27 28 +CONECT 28 30 29 +CONECT 30 32 31 +CONECT 32 34 33 +CONECT 34 36 35 +CONECT 36 37 +ENDMDL diff --git a/examples/unres/CSA/GAB/CSA/global/restrained/1l2y_csa@035.pdb b/examples/unres/CSA/GAB/CSA/global/restrained/1l2y_csa@035.pdb new file mode 100644 index 0000000..c535da1 --- /dev/null +++ b/examples/unres/CSA/GAB/CSA/global/restrained/1l2y_csa@035.pdb @@ -0,0 +1,61 @@ +REMARK GM 35 e 2754518 m 9108 ENERGY -9.22304E+01 +HELIX 1 H1 TYR 3 GLY 10 1 7 +ATOM 1 CA ASN 1 3.800 0.000 0.000 0.000 +ATOM 2 CB ASN 1 5.418 0.445 0.135 0.000 +ATOM 3 CA LEU 2 4.057 -3.791 0.000 0.000 +ATOM 4 CB LEU 2 3.534 -5.615 -0.398 0.000 +ATOM 5 CA TYR 3 6.126 -3.750 -3.187 0.000 +ATOM 6 CB TYR 3 5.957 -1.312 -3.631 0.000 +ATOM 7 CA ILE 4 9.337 -3.152 -1.243 0.000 +ATOM 8 CB ILE 4 10.038 -1.546 -0.951 0.000 +ATOM 9 CA GLN 5 8.313 -5.726 1.358 0.000 +ATOM 10 CB GLN 5 7.144 -4.178 2.479 0.000 +ATOM 11 CA TRP 6 7.182 -8.080 -1.402 0.000 +ATOM 12 CB TRP 6 5.678 -10.096 -2.081 0.000 +ATOM 13 CA LEU 7 10.273 -7.249 -3.449 0.000 +ATOM 14 CB LEU 7 9.097 -6.724 -4.899 0.000 +ATOM 15 CA LYS 8 12.492 -7.861 -0.426 0.000 +ATOM 16 CB LYS 8 12.937 -5.476 0.329 0.000 +ATOM 17 CA ASP 9 10.711 -11.117 0.391 0.000 +ATOM 18 CB ASP 9 9.281 -10.387 0.976 0.000 +ATOM 19 CA GLY 10 12.518 -12.843 -2.471 0.000 +ATOM 20 CA GLY 11 11.115 -11.038 -5.507 0.000 +ATOM 21 CA PRO 12 7.517 -12.223 -5.208 0.000 +ATOM 22 CB PRO 12 7.000 -11.151 -5.834 0.000 +ATOM 23 CA SER 13 8.543 -15.592 -3.780 0.000 +ATOM 24 CB SER 13 9.669 -15.704 -3.578 0.000 +ATOM 25 CA SER 14 7.521 -14.721 -0.225 0.000 +ATOM 26 CB SER 14 7.216 -13.619 -0.099 0.000 +ATOM 27 CA GLY 15 4.323 -16.048 1.338 0.000 +ATOM 28 CA ARG 16 2.292 -12.928 0.575 0.000 +ATOM 29 CB ARG 16 4.061 -10.591 1.302 0.000 +ATOM 30 CA PRO 17 0.625 -11.793 -2.646 0.000 +ATOM 31 CB PRO 17 0.213 -10.779 -1.864 0.000 +ATOM 32 CA PRO 18 2.806 -10.759 -5.581 0.000 +ATOM 33 CB PRO 18 2.041 -11.652 -6.235 0.000 +ATOM 34 CA PRO 19 2.845 -7.084 -6.546 0.000 +ATOM 35 CB PRO 19 3.736 -7.006 -5.541 0.000 +ATOM 36 CA SER 20 4.471 -7.725 -9.921 0.000 +ATOM 37 CB SER 20 5.565 -8.062 -9.816 0.000 +TER +CONECT 1 3 2 +CONECT 3 5 4 +CONECT 5 7 6 +CONECT 7 9 8 +CONECT 9 11 10 +CONECT 11 13 12 +CONECT 13 15 14 +CONECT 15 17 16 +CONECT 17 19 18 +CONECT 19 20 +CONECT 20 21 +CONECT 21 23 22 +CONECT 23 25 24 +CONECT 25 27 26 +CONECT 27 28 +CONECT 28 30 29 +CONECT 30 32 31 +CONECT 32 34 33 +CONECT 34 36 35 +CONECT 36 37 +ENDMDL diff --git a/examples/unres/CSA/GAB/CSA/global/restrained/1l2y_csa@036.pdb b/examples/unres/CSA/GAB/CSA/global/restrained/1l2y_csa@036.pdb new file mode 100644 index 0000000..b245f92 --- /dev/null +++ b/examples/unres/CSA/GAB/CSA/global/restrained/1l2y_csa@036.pdb @@ -0,0 +1,61 @@ +REMARK GM 36 e 2862668 m 9475 ENERGY -9.22321E+01 +HELIX 1 H1 TYR 3 GLY 10 1 7 +ATOM 1 CA ASN 1 3.800 0.000 0.000 0.000 +ATOM 2 CB ASN 1 5.419 0.444 0.131 0.000 +ATOM 3 CA LEU 2 4.056 -3.791 0.000 0.000 +ATOM 4 CB LEU 2 3.530 -5.612 -0.411 0.000 +ATOM 5 CA TYR 3 6.133 -3.749 -3.182 0.000 +ATOM 6 CB TYR 3 5.992 -1.311 -3.636 0.000 +ATOM 7 CA ILE 4 9.336 -3.140 -1.230 0.000 +ATOM 8 CB ILE 4 10.044 -1.534 -0.956 0.000 +ATOM 9 CA GLN 5 8.317 -5.719 1.368 0.000 +ATOM 10 CB GLN 5 7.141 -4.171 2.481 0.000 +ATOM 11 CA TRP 6 7.198 -8.076 -1.395 0.000 +ATOM 12 CB TRP 6 5.674 -10.075 -2.079 0.000 +ATOM 13 CA LEU 7 10.292 -7.239 -3.436 0.000 +ATOM 14 CB LEU 7 9.119 -6.618 -4.849 0.000 +ATOM 15 CA LYS 8 12.508 -7.874 -0.415 0.000 +ATOM 16 CB LYS 8 12.946 -5.486 0.333 0.000 +ATOM 17 CA ASP 9 10.710 -11.124 0.388 0.000 +ATOM 18 CB ASP 9 9.293 -10.379 0.986 0.000 +ATOM 19 CA GLY 10 12.482 -12.842 -2.501 0.000 +ATOM 20 CA GLY 11 11.088 -11.007 -5.522 0.000 +ATOM 21 CA PRO 12 7.476 -12.147 -5.222 0.000 +ATOM 22 CB PRO 12 6.988 -11.070 -5.864 0.000 +ATOM 23 CA SER 13 8.464 -15.537 -3.819 0.000 +ATOM 24 CB SER 13 9.590 -15.665 -3.622 0.000 +ATOM 25 CA SER 14 7.478 -14.683 -0.250 0.000 +ATOM 26 CB SER 14 7.190 -13.579 -0.108 0.000 +ATOM 27 CA GLY 15 4.288 -15.986 1.352 0.000 +ATOM 28 CA ARG 16 2.270 -12.853 0.607 0.000 +ATOM 29 CB ARG 16 4.072 -10.537 1.319 0.000 +ATOM 30 CA PRO 17 0.595 -11.736 -2.616 0.000 +ATOM 31 CB PRO 17 0.177 -10.726 -1.832 0.000 +ATOM 32 CA PRO 18 2.766 -10.729 -5.567 0.000 +ATOM 33 CB PRO 18 1.984 -11.608 -6.219 0.000 +ATOM 34 CA PRO 19 2.860 -7.066 -6.573 0.000 +ATOM 35 CB PRO 19 3.754 -6.998 -5.570 0.000 +ATOM 36 CA SER 20 4.203 -7.817 -10.047 0.000 +ATOM 37 CB SER 20 5.146 -8.474 -10.010 0.000 +TER +CONECT 1 3 2 +CONECT 3 5 4 +CONECT 5 7 6 +CONECT 7 9 8 +CONECT 9 11 10 +CONECT 11 13 12 +CONECT 13 15 14 +CONECT 15 17 16 +CONECT 17 19 18 +CONECT 19 20 +CONECT 20 21 +CONECT 21 23 22 +CONECT 23 25 24 +CONECT 25 27 26 +CONECT 27 28 +CONECT 28 30 29 +CONECT 30 32 31 +CONECT 32 34 33 +CONECT 34 36 35 +CONECT 36 37 +ENDMDL diff --git a/examples/unres/CSA/GAB/CSA/global/restrained/1l2y_csa@037.pdb b/examples/unres/CSA/GAB/CSA/global/restrained/1l2y_csa@037.pdb new file mode 100644 index 0000000..03949d5 --- /dev/null +++ b/examples/unres/CSA/GAB/CSA/global/restrained/1l2y_csa@037.pdb @@ -0,0 +1,61 @@ +REMARK GM 37 e 3023283 m 10030 ENERGY -9.22331E+01 +HELIX 1 H1 TYR 3 GLY 10 1 7 +ATOM 1 CA ASN 1 3.800 0.000 0.000 0.000 +ATOM 2 CB ASN 1 5.419 0.444 0.134 0.000 +ATOM 3 CA LEU 2 4.056 -3.791 0.000 0.000 +ATOM 4 CB LEU 2 3.538 -5.615 -0.406 0.000 +ATOM 5 CA TYR 3 6.124 -3.749 -3.187 0.000 +ATOM 6 CB TYR 3 5.977 -1.310 -3.633 0.000 +ATOM 7 CA ILE 4 9.331 -3.140 -1.242 0.000 +ATOM 8 CB ILE 4 10.038 -1.534 -0.968 0.000 +ATOM 9 CA GLN 5 8.319 -5.722 1.355 0.000 +ATOM 10 CB GLN 5 7.152 -4.172 2.475 0.000 +ATOM 11 CA TRP 6 7.200 -8.079 -1.408 0.000 +ATOM 12 CB TRP 6 5.680 -10.081 -2.092 0.000 +ATOM 13 CA LEU 7 10.288 -7.234 -3.454 0.000 +ATOM 14 CB LEU 7 9.106 -6.625 -4.866 0.000 +ATOM 15 CA LYS 8 12.511 -7.866 -0.438 0.000 +ATOM 16 CB LYS 8 12.946 -5.477 0.312 0.000 +ATOM 17 CA ASP 9 10.723 -11.122 0.364 0.000 +ATOM 18 CB ASP 9 9.304 -10.383 0.965 0.000 +ATOM 19 CA GLY 10 12.499 -12.830 -2.529 0.000 +ATOM 20 CA GLY 11 11.091 -10.998 -5.546 0.000 +ATOM 21 CA PRO 12 7.484 -12.154 -5.242 0.000 +ATOM 22 CB PRO 12 6.987 -11.078 -5.877 0.000 +ATOM 23 CA SER 13 8.491 -15.542 -3.844 0.000 +ATOM 24 CB SER 13 9.617 -15.664 -3.649 0.000 +ATOM 25 CA SER 14 7.507 -14.694 -0.272 0.000 +ATOM 26 CB SER 14 7.214 -13.591 -0.130 0.000 +ATOM 27 CA GLY 15 4.322 -16.007 1.333 0.000 +ATOM 28 CA ARG 16 2.297 -12.877 0.595 0.000 +ATOM 29 CB ARG 16 4.090 -10.554 1.310 0.000 +ATOM 30 CA PRO 17 0.607 -11.750 -2.616 0.000 +ATOM 31 CB PRO 17 0.199 -10.737 -1.832 0.000 +ATOM 32 CA PRO 18 2.765 -10.739 -5.576 0.000 +ATOM 33 CB PRO 18 1.981 -11.619 -6.225 0.000 +ATOM 34 CA PRO 19 2.849 -7.073 -6.574 0.000 +ATOM 35 CB PRO 19 3.741 -7.004 -5.570 0.000 +ATOM 36 CA SER 20 4.218 -7.809 -10.042 0.000 +ATOM 37 CB SER 20 5.190 -8.422 -10.002 0.000 +TER +CONECT 1 3 2 +CONECT 3 5 4 +CONECT 5 7 6 +CONECT 7 9 8 +CONECT 9 11 10 +CONECT 11 13 12 +CONECT 13 15 14 +CONECT 15 17 16 +CONECT 17 19 18 +CONECT 19 20 +CONECT 20 21 +CONECT 21 23 22 +CONECT 23 25 24 +CONECT 25 27 26 +CONECT 27 28 +CONECT 28 30 29 +CONECT 30 32 31 +CONECT 32 34 33 +CONECT 34 36 35 +CONECT 36 37 +ENDMDL diff --git a/examples/unres/CSA/GAB/CSA/global/restrained/1l2y_csa@038.pdb b/examples/unres/CSA/GAB/CSA/global/restrained/1l2y_csa@038.pdb new file mode 100644 index 0000000..d2e1adf --- /dev/null +++ b/examples/unres/CSA/GAB/CSA/global/restrained/1l2y_csa@038.pdb @@ -0,0 +1,61 @@ +REMARK GM 38 e 3332064 m 11130 ENERGY -9.22333E+01 +HELIX 1 H1 TYR 3 GLY 10 1 7 +ATOM 1 CA ASN 1 3.800 0.000 0.000 0.000 +ATOM 2 CB ASN 1 5.420 0.442 0.121 0.000 +ATOM 3 CA LEU 2 4.056 -3.791 0.000 0.000 +ATOM 4 CB LEU 2 3.530 -5.613 -0.405 0.000 +ATOM 5 CA TYR 3 6.110 -3.750 -3.197 0.000 +ATOM 6 CB TYR 3 5.965 -1.311 -3.645 0.000 +ATOM 7 CA ILE 4 9.328 -3.146 -1.268 0.000 +ATOM 8 CB ILE 4 10.039 -1.541 -0.995 0.000 +ATOM 9 CA GLN 5 8.325 -5.727 1.335 0.000 +ATOM 10 CB GLN 5 7.160 -4.178 2.458 0.000 +ATOM 11 CA TRP 6 7.186 -8.080 -1.423 0.000 +ATOM 12 CB TRP 6 5.659 -10.079 -2.100 0.000 +ATOM 13 CA LEU 7 10.266 -7.242 -3.484 0.000 +ATOM 14 CB LEU 7 9.079 -6.633 -4.891 0.000 +ATOM 15 CA LYS 8 12.502 -7.879 -0.478 0.000 +ATOM 16 CB LYS 8 12.945 -5.491 0.270 0.000 +ATOM 17 CA ASP 9 10.711 -11.131 0.333 0.000 +ATOM 18 CB ASP 9 9.296 -10.390 0.940 0.000 +ATOM 19 CA GLY 10 12.469 -12.844 -2.568 0.000 +ATOM 20 CA GLY 11 11.052 -11.009 -5.579 0.000 +ATOM 21 CA PRO 12 7.444 -12.157 -5.257 0.000 +ATOM 22 CB PRO 12 6.947 -11.079 -5.890 0.000 +ATOM 23 CA SER 13 8.449 -15.547 -3.864 0.000 +ATOM 24 CB SER 13 9.576 -15.672 -3.675 0.000 +ATOM 25 CA SER 14 7.483 -14.697 -0.288 0.000 +ATOM 26 CB SER 14 7.194 -13.593 -0.145 0.000 +ATOM 27 CA GLY 15 4.303 -16.004 1.329 0.000 +ATOM 28 CA ARG 16 2.280 -12.871 0.600 0.000 +ATOM 29 CB ARG 16 4.081 -10.552 1.308 0.000 +ATOM 30 CA PRO 17 0.579 -11.741 -2.604 0.000 +ATOM 31 CB PRO 17 0.174 -10.729 -1.817 0.000 +ATOM 32 CA PRO 18 2.727 -10.731 -5.572 0.000 +ATOM 33 CB PRO 18 1.940 -11.610 -6.218 0.000 +ATOM 34 CA PRO 19 2.812 -7.065 -6.568 0.000 +ATOM 35 CB PRO 19 3.709 -6.997 -5.568 0.000 +ATOM 36 CA SER 20 4.171 -7.800 -10.040 0.000 +ATOM 37 CB SER 20 5.149 -8.404 -10.003 0.000 +TER +CONECT 1 3 2 +CONECT 3 5 4 +CONECT 5 7 6 +CONECT 7 9 8 +CONECT 9 11 10 +CONECT 11 13 12 +CONECT 13 15 14 +CONECT 15 17 16 +CONECT 17 19 18 +CONECT 19 20 +CONECT 20 21 +CONECT 21 23 22 +CONECT 23 25 24 +CONECT 25 27 26 +CONECT 27 28 +CONECT 28 30 29 +CONECT 30 32 31 +CONECT 32 34 33 +CONECT 34 36 35 +CONECT 36 37 +ENDMDL diff --git a/examples/unres/CSA/GAB/CSA/global/restrained/1l2y_csa@039.pdb b/examples/unres/CSA/GAB/CSA/global/restrained/1l2y_csa@039.pdb new file mode 100644 index 0000000..c5d2170 --- /dev/null +++ b/examples/unres/CSA/GAB/CSA/global/restrained/1l2y_csa@039.pdb @@ -0,0 +1,61 @@ +REMARK GM 39 e 3441722 m 11496 ENERGY -9.22334E+01 +HELIX 1 H1 TYR 3 GLY 10 1 7 +ATOM 1 CA ASN 1 3.800 0.000 0.000 0.000 +ATOM 2 CB ASN 1 5.419 0.445 0.133 0.000 +ATOM 3 CA LEU 2 4.056 -3.791 0.000 0.000 +ATOM 4 CB LEU 2 3.535 -5.614 -0.409 0.000 +ATOM 5 CA TYR 3 6.129 -3.748 -3.185 0.000 +ATOM 6 CB TYR 3 5.983 -1.309 -3.632 0.000 +ATOM 7 CA ILE 4 9.334 -3.141 -1.237 0.000 +ATOM 8 CB ILE 4 10.042 -1.536 -0.960 0.000 +ATOM 9 CA GLN 5 8.318 -5.723 1.359 0.000 +ATOM 10 CB GLN 5 7.147 -4.174 2.476 0.000 +ATOM 11 CA TRP 6 7.199 -8.078 -1.406 0.000 +ATOM 12 CB TRP 6 5.677 -10.078 -2.092 0.000 +ATOM 13 CA LEU 7 10.291 -7.236 -3.448 0.000 +ATOM 14 CB LEU 7 9.112 -6.627 -4.862 0.000 +ATOM 15 CA LYS 8 12.509 -7.871 -0.429 0.000 +ATOM 16 CB LYS 8 12.945 -5.483 0.322 0.000 +ATOM 17 CA ASP 9 10.716 -11.125 0.371 0.000 +ATOM 18 CB ASP 9 9.297 -10.385 0.970 0.000 +ATOM 19 CA GLY 10 12.493 -12.835 -2.520 0.000 +ATOM 20 CA GLY 11 11.092 -11.001 -5.539 0.000 +ATOM 21 CA PRO 12 7.483 -12.153 -5.239 0.000 +ATOM 22 CB PRO 12 6.988 -11.076 -5.875 0.000 +ATOM 23 CA SER 13 8.483 -15.542 -3.840 0.000 +ATOM 24 CB SER 13 9.609 -15.666 -3.644 0.000 +ATOM 25 CA SER 14 7.495 -14.693 -0.270 0.000 +ATOM 26 CB SER 14 7.204 -13.590 -0.129 0.000 +ATOM 27 CA GLY 15 4.307 -16.004 1.329 0.000 +ATOM 28 CA ARG 16 2.285 -12.872 0.589 0.000 +ATOM 29 CB ARG 16 4.080 -10.552 1.307 0.000 +ATOM 30 CA PRO 17 0.602 -11.744 -2.625 0.000 +ATOM 31 CB PRO 17 0.192 -10.731 -1.840 0.000 +ATOM 32 CA PRO 18 2.766 -10.733 -5.580 0.000 +ATOM 33 CB PRO 18 1.983 -11.612 -6.231 0.000 +ATOM 34 CA PRO 19 2.855 -7.067 -6.577 0.000 +ATOM 35 CB PRO 19 3.746 -6.999 -5.572 0.000 +ATOM 36 CA SER 20 4.229 -7.803 -10.043 0.000 +ATOM 37 CB SER 20 5.202 -8.414 -10.001 0.000 +TER +CONECT 1 3 2 +CONECT 3 5 4 +CONECT 5 7 6 +CONECT 7 9 8 +CONECT 9 11 10 +CONECT 11 13 12 +CONECT 13 15 14 +CONECT 15 17 16 +CONECT 17 19 18 +CONECT 19 20 +CONECT 20 21 +CONECT 21 23 22 +CONECT 23 25 24 +CONECT 25 27 26 +CONECT 27 28 +CONECT 28 30 29 +CONECT 30 32 31 +CONECT 32 34 33 +CONECT 34 36 35 +CONECT 36 37 +ENDMDL diff --git a/examples/unres/CSA/GAB/CSA/global/restrained/1l2y_csa@040.pdb b/examples/unres/CSA/GAB/CSA/global/restrained/1l2y_csa@040.pdb new file mode 100644 index 0000000..defded0 --- /dev/null +++ b/examples/unres/CSA/GAB/CSA/global/restrained/1l2y_csa@040.pdb @@ -0,0 +1,61 @@ +REMARK GM 40 e 3468883 m 11599 ENERGY -9.22402E+01 +HELIX 1 H1 TYR 3 GLY 10 1 7 +ATOM 1 CA ASN 1 3.800 0.000 0.000 0.000 +ATOM 2 CB ASN 1 5.417 0.452 0.129 0.000 +ATOM 3 CA LEU 2 4.056 -3.791 0.000 0.000 +ATOM 4 CB LEU 2 3.497 -5.596 -0.434 0.000 +ATOM 5 CA TYR 3 6.137 -3.749 -3.179 0.000 +ATOM 6 CB TYR 3 6.025 -1.308 -3.625 0.000 +ATOM 7 CA ILE 4 9.340 -3.118 -1.234 0.000 +ATOM 8 CB ILE 4 10.022 -1.490 -1.039 0.000 +ATOM 9 CA GLN 5 8.347 -5.694 1.377 0.000 +ATOM 10 CB GLN 5 7.035 -4.315 2.558 0.000 +ATOM 11 CA TRP 6 7.246 -8.070 -1.377 0.000 +ATOM 12 CB TRP 6 5.622 -9.944 -2.174 0.000 +ATOM 13 CA LEU 7 10.321 -7.209 -3.437 0.000 +ATOM 14 CB LEU 7 9.119 -6.569 -4.818 0.000 +ATOM 15 CA LYS 8 12.563 -7.965 -0.464 0.000 +ATOM 16 CB LYS 8 11.693 -6.040 0.949 0.000 +ATOM 17 CA ASP 9 10.694 -11.192 0.264 0.000 +ATOM 18 CB ASP 9 9.331 -10.386 0.908 0.000 +ATOM 19 CA GLY 10 12.365 -12.859 -2.713 0.000 +ATOM 20 CA GLY 11 10.968 -10.925 -5.671 0.000 +ATOM 21 CA PRO 12 7.337 -12.003 -5.373 0.000 +ATOM 22 CB PRO 12 6.867 -10.916 -6.010 0.000 +ATOM 23 CA SER 13 8.264 -15.422 -3.999 0.000 +ATOM 24 CB SER 13 9.387 -15.580 -3.807 0.000 +ATOM 25 CA SER 14 7.298 -14.579 -0.422 0.000 +ATOM 26 CB SER 14 7.048 -13.469 -0.255 0.000 +ATOM 27 CA GLY 15 4.071 -15.843 1.139 0.000 +ATOM 28 CA ARG 16 2.100 -12.682 0.388 0.000 +ATOM 29 CB ARG 16 4.015 -10.494 1.205 0.000 +ATOM 30 CA PRO 17 0.432 -11.493 -2.813 0.000 +ATOM 31 CB PRO 17 0.014 -10.509 -1.997 0.000 +ATOM 32 CA PRO 18 2.623 -10.502 -5.756 0.000 +ATOM 33 CB PRO 18 1.795 -11.318 -6.433 0.000 +ATOM 34 CA PRO 19 2.833 -6.823 -6.681 0.000 +ATOM 35 CB PRO 19 3.706 -6.820 -5.658 0.000 +ATOM 36 CA SER 20 4.153 -7.544 -10.171 0.000 +ATOM 37 CB SER 20 5.073 -8.233 -10.143 0.000 +TER +CONECT 1 3 2 +CONECT 3 5 4 +CONECT 5 7 6 +CONECT 7 9 8 +CONECT 9 11 10 +CONECT 11 13 12 +CONECT 13 15 14 +CONECT 15 17 16 +CONECT 17 19 18 +CONECT 19 20 +CONECT 20 21 +CONECT 21 23 22 +CONECT 23 25 24 +CONECT 25 27 26 +CONECT 27 28 +CONECT 28 30 29 +CONECT 30 32 31 +CONECT 32 34 33 +CONECT 34 36 35 +CONECT 36 37 +ENDMDL diff --git a/examples/unres/CSA/GAB/CSA/global/restrained/1l2y_csa@041.pdb b/examples/unres/CSA/GAB/CSA/global/restrained/1l2y_csa@041.pdb new file mode 100644 index 0000000..0acd902 --- /dev/null +++ b/examples/unres/CSA/GAB/CSA/global/restrained/1l2y_csa@041.pdb @@ -0,0 +1,61 @@ +REMARK GM 41 e 4311131 m 14559 ENERGY -9.23007E+01 +HELIX 1 H1 TYR 3 GLY 10 1 7 +ATOM 1 CA ASN 1 3.800 0.000 0.000 0.000 +ATOM 2 CB ASN 1 5.419 0.439 0.153 0.000 +ATOM 3 CA LEU 2 4.058 -3.791 0.000 0.000 +ATOM 4 CB LEU 2 3.634 -5.642 -0.395 0.000 +ATOM 5 CA TYR 3 6.073 -3.753 -3.221 0.000 +ATOM 6 CB TYR 3 5.914 -1.303 -3.599 0.000 +ATOM 7 CA ILE 4 9.308 -3.211 -1.302 0.000 +ATOM 8 CB ILE 4 10.013 -1.617 -0.960 0.000 +ATOM 9 CA GLN 5 8.309 -5.873 1.219 0.000 +ATOM 10 CB GLN 5 7.175 -4.395 2.462 0.000 +ATOM 11 CA TRP 6 7.154 -8.133 -1.610 0.000 +ATOM 12 CB TRP 6 5.721 -10.175 -2.359 0.000 +ATOM 13 CA LEU 7 10.233 -7.234 -3.648 0.000 +ATOM 14 CB LEU 7 9.021 -6.659 -5.048 0.000 +ATOM 15 CA LYS 8 12.468 -7.931 -0.655 0.000 +ATOM 16 CB LYS 8 12.909 -5.577 0.194 0.000 +ATOM 17 CA ASP 9 10.730 -11.239 0.039 0.000 +ATOM 18 CB ASP 9 9.264 -10.595 0.635 0.000 +ATOM 19 CA GLY 10 12.594 -12.831 -2.865 0.000 +ATOM 20 CA GLY 11 11.179 -10.929 -5.835 0.000 +ATOM 21 CA PRO 12 7.602 -12.191 -5.597 0.000 +ATOM 22 CB PRO 12 7.049 -11.096 -6.150 0.000 +ATOM 23 CA SER 13 8.692 -15.605 -4.333 0.000 +ATOM 24 CB SER 13 9.820 -15.703 -4.131 0.000 +ATOM 25 CA SER 14 7.643 -14.919 -0.745 0.000 +ATOM 26 CB SER 14 7.287 -13.839 -0.570 0.000 +ATOM 27 CA GLY 15 4.482 -16.481 0.671 0.000 +ATOM 28 CA ARG 16 2.301 -13.448 -0.023 0.000 +ATOM 29 CB ARG 16 3.972 -11.101 0.880 0.000 +ATOM 30 CA PRO 17 0.575 -12.238 -3.185 0.000 +ATOM 31 CB PRO 17 0.574 -11.064 -2.528 0.000 +ATOM 32 CA PRO 18 2.868 -10.902 -5.905 0.000 +ATOM 33 CB PRO 18 2.235 -11.843 -6.627 0.000 +ATOM 34 CA PRO 19 2.730 -7.165 -6.585 0.000 +ATOM 35 CB PRO 19 3.636 -7.063 -5.596 0.000 +ATOM 36 CA SER 20 4.480 -7.445 -9.946 0.000 +ATOM 37 CB SER 20 5.599 -7.688 -9.844 0.000 +TER +CONECT 1 3 2 +CONECT 3 5 4 +CONECT 5 7 6 +CONECT 7 9 8 +CONECT 9 11 10 +CONECT 11 13 12 +CONECT 13 15 14 +CONECT 15 17 16 +CONECT 17 19 18 +CONECT 19 20 +CONECT 20 21 +CONECT 21 23 22 +CONECT 23 25 24 +CONECT 25 27 26 +CONECT 27 28 +CONECT 28 30 29 +CONECT 30 32 31 +CONECT 32 34 33 +CONECT 34 36 35 +CONECT 36 37 +ENDMDL diff --git a/examples/unres/CSA/GAB/CSA/global/restrained/1l2y_csa@042.pdb b/examples/unres/CSA/GAB/CSA/global/restrained/1l2y_csa@042.pdb new file mode 100644 index 0000000..1903a79 --- /dev/null +++ b/examples/unres/CSA/GAB/CSA/global/restrained/1l2y_csa@042.pdb @@ -0,0 +1,61 @@ +REMARK GM 42 e 4525954 m 15329 ENERGY -9.23023E+01 +HELIX 1 H1 TYR 3 GLY 10 1 7 +ATOM 1 CA ASN 1 3.800 0.000 0.000 0.000 +ATOM 2 CB ASN 1 5.419 0.439 0.146 0.000 +ATOM 3 CA LEU 2 4.057 -3.791 0.000 0.000 +ATOM 4 CB LEU 2 3.634 -5.642 -0.397 0.000 +ATOM 5 CA TYR 3 6.074 -3.753 -3.221 0.000 +ATOM 6 CB TYR 3 5.920 -1.303 -3.600 0.000 +ATOM 7 CA ILE 4 9.308 -3.218 -1.299 0.000 +ATOM 8 CB ILE 4 10.013 -1.624 -0.961 0.000 +ATOM 9 CA GLN 5 8.306 -5.880 1.220 0.000 +ATOM 10 CB GLN 5 7.172 -4.406 2.469 0.000 +ATOM 11 CA TRP 6 7.149 -8.137 -1.609 0.000 +ATOM 12 CB TRP 6 5.717 -10.175 -2.370 0.000 +ATOM 13 CA LEU 7 10.229 -7.239 -3.646 0.000 +ATOM 14 CB LEU 7 9.020 -6.658 -5.046 0.000 +ATOM 15 CA LYS 8 12.462 -7.946 -0.654 0.000 +ATOM 16 CB LYS 8 12.896 -5.593 0.202 0.000 +ATOM 17 CA ASP 9 10.718 -11.251 0.034 0.000 +ATOM 18 CB ASP 9 9.256 -10.600 0.633 0.000 +ATOM 19 CA GLY 10 12.585 -12.842 -2.869 0.000 +ATOM 20 CA GLY 11 11.179 -10.927 -5.834 0.000 +ATOM 21 CA PRO 12 7.603 -12.190 -5.604 0.000 +ATOM 22 CB PRO 12 7.052 -11.095 -6.159 0.000 +ATOM 23 CA SER 13 8.692 -15.604 -4.342 0.000 +ATOM 24 CB SER 13 9.819 -15.708 -4.139 0.000 +ATOM 25 CA SER 14 7.635 -14.924 -0.756 0.000 +ATOM 26 CB SER 14 7.278 -13.845 -0.582 0.000 +ATOM 27 CA GLY 15 4.466 -16.486 0.645 0.000 +ATOM 28 CA ARG 16 2.289 -13.450 -0.051 0.000 +ATOM 29 CB ARG 16 3.964 -11.109 0.863 0.000 +ATOM 30 CA PRO 17 0.571 -12.229 -3.213 0.000 +ATOM 31 CB PRO 17 0.573 -11.056 -2.556 0.000 +ATOM 32 CA PRO 18 2.870 -10.888 -5.925 0.000 +ATOM 33 CB PRO 18 2.234 -11.824 -6.653 0.000 +ATOM 34 CA PRO 19 2.739 -7.151 -6.600 0.000 +ATOM 35 CB PRO 19 3.640 -7.054 -5.606 0.000 +ATOM 36 CA SER 20 4.499 -7.428 -9.956 0.000 +ATOM 37 CB SER 20 5.618 -7.669 -9.848 0.000 +TER +CONECT 1 3 2 +CONECT 3 5 4 +CONECT 5 7 6 +CONECT 7 9 8 +CONECT 9 11 10 +CONECT 11 13 12 +CONECT 13 15 14 +CONECT 15 17 16 +CONECT 17 19 18 +CONECT 19 20 +CONECT 20 21 +CONECT 21 23 22 +CONECT 23 25 24 +CONECT 25 27 26 +CONECT 27 28 +CONECT 28 30 29 +CONECT 30 32 31 +CONECT 32 34 33 +CONECT 34 36 35 +CONECT 36 37 +ENDMDL diff --git a/examples/unres/CSA/GAB/CSA/global/restrained/1l2y_csa@043.pdb b/examples/unres/CSA/GAB/CSA/global/restrained/1l2y_csa@043.pdb new file mode 100644 index 0000000..8188275 --- /dev/null +++ b/examples/unres/CSA/GAB/CSA/global/restrained/1l2y_csa@043.pdb @@ -0,0 +1,61 @@ +REMARK GM 43 e 4637924 m 15701 ENERGY -9.23025E+01 +HELIX 1 H1 TYR 3 GLY 10 1 7 +ATOM 1 CA ASN 1 3.800 0.000 0.000 0.000 +ATOM 2 CB ASN 1 5.418 0.441 0.153 0.000 +ATOM 3 CA LEU 2 4.056 -3.791 0.000 0.000 +ATOM 4 CB LEU 2 3.631 -5.640 -0.400 0.000 +ATOM 5 CA TYR 3 6.071 -3.753 -3.222 0.000 +ATOM 6 CB TYR 3 5.915 -1.303 -3.599 0.000 +ATOM 7 CA ILE 4 9.306 -3.214 -1.302 0.000 +ATOM 8 CB ILE 4 10.008 -1.619 -0.962 0.000 +ATOM 9 CA GLN 5 8.306 -5.877 1.218 0.000 +ATOM 10 CB GLN 5 7.173 -4.402 2.466 0.000 +ATOM 11 CA TRP 6 7.149 -8.135 -1.612 0.000 +ATOM 12 CB TRP 6 5.717 -10.174 -2.371 0.000 +ATOM 13 CA LEU 7 10.229 -7.237 -3.649 0.000 +ATOM 14 CB LEU 7 9.019 -6.658 -5.049 0.000 +ATOM 15 CA LYS 8 12.462 -7.941 -0.656 0.000 +ATOM 16 CB LYS 8 12.897 -5.587 0.197 0.000 +ATOM 17 CA ASP 9 10.720 -11.246 0.033 0.000 +ATOM 18 CB ASP 9 9.257 -10.597 0.632 0.000 +ATOM 19 CA GLY 10 12.586 -12.838 -2.869 0.000 +ATOM 20 CA GLY 11 11.179 -10.926 -5.836 0.000 +ATOM 21 CA PRO 12 7.603 -12.190 -5.604 0.000 +ATOM 22 CB PRO 12 7.051 -11.096 -6.159 0.000 +ATOM 23 CA SER 13 8.693 -15.603 -4.339 0.000 +ATOM 24 CB SER 13 9.820 -15.706 -4.135 0.000 +ATOM 25 CA SER 14 7.636 -14.920 -0.753 0.000 +ATOM 26 CB SER 14 7.279 -13.841 -0.580 0.000 +ATOM 27 CA GLY 15 4.469 -16.482 0.650 0.000 +ATOM 28 CA ARG 16 2.290 -13.449 -0.048 0.000 +ATOM 29 CB ARG 16 3.963 -11.105 0.863 0.000 +ATOM 30 CA PRO 17 0.571 -12.232 -3.211 0.000 +ATOM 31 CB PRO 17 0.572 -11.058 -2.554 0.000 +ATOM 32 CA PRO 18 2.870 -10.891 -5.923 0.000 +ATOM 33 CB PRO 18 2.235 -11.828 -6.651 0.000 +ATOM 34 CA PRO 19 2.737 -7.154 -6.600 0.000 +ATOM 35 CB PRO 19 3.639 -7.056 -5.607 0.000 +ATOM 36 CA SER 20 4.495 -7.431 -9.957 0.000 +ATOM 37 CB SER 20 5.615 -7.672 -9.849 0.000 +TER +CONECT 1 3 2 +CONECT 3 5 4 +CONECT 5 7 6 +CONECT 7 9 8 +CONECT 9 11 10 +CONECT 11 13 12 +CONECT 13 15 14 +CONECT 15 17 16 +CONECT 17 19 18 +CONECT 19 20 +CONECT 20 21 +CONECT 21 23 22 +CONECT 23 25 24 +CONECT 25 27 26 +CONECT 27 28 +CONECT 28 30 29 +CONECT 30 32 31 +CONECT 32 34 33 +CONECT 34 36 35 +CONECT 36 37 +ENDMDL diff --git a/examples/unres/CSA/GAB/CSA/global/restrained/1l2y_csa@044.pdb b/examples/unres/CSA/GAB/CSA/global/restrained/1l2y_csa@044.pdb new file mode 100644 index 0000000..a693e54 --- /dev/null +++ b/examples/unres/CSA/GAB/CSA/global/restrained/1l2y_csa@044.pdb @@ -0,0 +1,61 @@ +REMARK GM 44 e 5354977 m 18234 ENERGY -9.23026E+01 +HELIX 1 H1 TYR 3 GLY 10 1 7 +ATOM 1 CA ASN 1 3.800 0.000 0.000 0.000 +ATOM 2 CB ASN 1 5.418 0.441 0.152 0.000 +ATOM 3 CA LEU 2 4.056 -3.791 0.000 0.000 +ATOM 4 CB LEU 2 3.631 -5.640 -0.401 0.000 +ATOM 5 CA TYR 3 6.071 -3.753 -3.222 0.000 +ATOM 6 CB TYR 3 5.915 -1.303 -3.599 0.000 +ATOM 7 CA ILE 4 9.306 -3.215 -1.302 0.000 +ATOM 8 CB ILE 4 10.008 -1.619 -0.962 0.000 +ATOM 9 CA GLN 5 8.306 -5.878 1.218 0.000 +ATOM 10 CB GLN 5 7.172 -4.403 2.466 0.000 +ATOM 11 CA TRP 6 7.149 -8.135 -1.612 0.000 +ATOM 12 CB TRP 6 5.717 -10.173 -2.372 0.000 +ATOM 13 CA LEU 7 10.229 -7.237 -3.649 0.000 +ATOM 14 CB LEU 7 9.019 -6.657 -5.049 0.000 +ATOM 15 CA LYS 8 12.462 -7.942 -0.656 0.000 +ATOM 16 CB LYS 8 12.896 -5.588 0.198 0.000 +ATOM 17 CA ASP 9 10.719 -11.247 0.032 0.000 +ATOM 18 CB ASP 9 9.257 -10.597 0.632 0.000 +ATOM 19 CA GLY 10 12.586 -12.839 -2.869 0.000 +ATOM 20 CA GLY 11 11.179 -10.926 -5.836 0.000 +ATOM 21 CA PRO 12 7.603 -12.189 -5.605 0.000 +ATOM 22 CB PRO 12 7.052 -11.095 -6.160 0.000 +ATOM 23 CA SER 13 8.693 -15.602 -4.340 0.000 +ATOM 24 CB SER 13 9.820 -15.706 -4.136 0.000 +ATOM 25 CA SER 14 7.635 -14.920 -0.754 0.000 +ATOM 26 CB SER 14 7.278 -13.841 -0.581 0.000 +ATOM 27 CA GLY 15 4.468 -16.482 0.647 0.000 +ATOM 28 CA ARG 16 2.289 -13.448 -0.051 0.000 +ATOM 29 CB ARG 16 3.962 -11.105 0.860 0.000 +ATOM 30 CA PRO 17 0.571 -12.231 -3.214 0.000 +ATOM 31 CB PRO 17 0.572 -11.056 -2.558 0.000 +ATOM 32 CA PRO 18 2.870 -10.889 -5.926 0.000 +ATOM 33 CB PRO 18 2.236 -11.826 -6.654 0.000 +ATOM 34 CA PRO 19 2.738 -7.152 -6.602 0.000 +ATOM 35 CB PRO 19 3.640 -7.055 -5.609 0.000 +ATOM 36 CA SER 20 4.498 -7.430 -9.959 0.000 +ATOM 37 CB SER 20 5.617 -7.670 -9.851 0.000 +TER +CONECT 1 3 2 +CONECT 3 5 4 +CONECT 5 7 6 +CONECT 7 9 8 +CONECT 9 11 10 +CONECT 11 13 12 +CONECT 13 15 14 +CONECT 15 17 16 +CONECT 17 19 18 +CONECT 19 20 +CONECT 20 21 +CONECT 21 23 22 +CONECT 23 25 24 +CONECT 25 27 26 +CONECT 27 28 +CONECT 28 30 29 +CONECT 30 32 31 +CONECT 32 34 33 +CONECT 34 36 35 +CONECT 36 37 +ENDMDL diff --git a/examples/unres/CSA/GAB/CSA/global/restrained/1l2y_csa@045.pdb b/examples/unres/CSA/GAB/CSA/global/restrained/1l2y_csa@045.pdb new file mode 100644 index 0000000..334c151 --- /dev/null +++ b/examples/unres/CSA/GAB/CSA/global/restrained/1l2y_csa@045.pdb @@ -0,0 +1,61 @@ +REMARK GM 45 e 5821190 m 19844 ENERGY -9.24899E+01 +HELIX 1 H1 TYR 3 GLY 10 1 7 +ATOM 1 CA ASN 1 3.800 0.000 0.000 0.000 +ATOM 2 CB ASN 1 5.418 0.446 0.133 0.000 +ATOM 3 CA LEU 2 4.056 -3.791 0.000 0.000 +ATOM 4 CB LEU 2 3.532 -5.614 -0.405 0.000 +ATOM 5 CA TYR 3 6.126 -3.749 -3.186 0.000 +ATOM 6 CB TYR 3 5.974 -1.310 -3.632 0.000 +ATOM 7 CA ILE 4 9.334 -3.150 -1.240 0.000 +ATOM 8 CB ILE 4 10.039 -1.545 -0.955 0.000 +ATOM 9 CA GLN 5 8.314 -5.731 1.355 0.000 +ATOM 10 CB GLN 5 7.145 -4.184 2.476 0.000 +ATOM 11 CA TRP 6 7.187 -8.081 -1.410 0.000 +ATOM 12 CB TRP 6 5.669 -10.082 -2.101 0.000 +ATOM 13 CA LEU 7 10.278 -7.243 -3.455 0.000 +ATOM 14 CB LEU 7 9.100 -6.661 -4.881 0.000 +ATOM 15 CA LYS 8 12.498 -7.871 -0.436 0.000 +ATOM 16 CB LYS 8 12.942 -5.485 0.316 0.000 +ATOM 17 CA ASP 9 10.710 -11.126 0.372 0.000 +ATOM 18 CB ASP 9 9.282 -10.396 0.962 0.000 +ATOM 19 CA GLY 10 12.504 -12.843 -2.505 0.000 +ATOM 20 CA GLY 11 11.107 -11.019 -5.532 0.000 +ATOM 21 CA PRO 12 7.501 -12.182 -5.238 0.000 +ATOM 22 CB PRO 12 6.991 -11.103 -5.858 0.000 +ATOM 23 CA SER 13 8.510 -15.567 -3.836 0.000 +ATOM 24 CB SER 13 9.636 -15.687 -3.634 0.000 +ATOM 25 CA SER 14 7.503 -14.715 -0.272 0.000 +ATOM 26 CB SER 14 7.204 -13.612 -0.140 0.000 +ATOM 27 CA GLY 15 4.306 -16.032 1.303 0.000 +ATOM 28 CA ARG 16 2.285 -12.902 0.556 0.000 +ATOM 29 CB ARG 16 4.066 -10.576 1.290 0.000 +ATOM 30 CA PRO 17 0.603 -11.761 -2.654 0.000 +ATOM 31 CB PRO 17 0.198 -10.746 -1.870 0.000 +ATOM 32 CA PRO 18 2.767 -10.734 -5.604 0.000 +ATOM 33 CB PRO 18 1.988 -11.615 -6.256 0.000 +ATOM 34 CA PRO 19 2.839 -7.055 -6.555 0.000 +ATOM 35 CB PRO 19 3.735 -6.992 -5.554 0.000 +ATOM 36 CA SER 20 4.195 -7.727 -10.040 0.000 +ATOM 37 CB SER 20 5.232 -7.571 -9.570 0.000 +TER +CONECT 1 3 2 +CONECT 3 5 4 +CONECT 5 7 6 +CONECT 7 9 8 +CONECT 9 11 10 +CONECT 11 13 12 +CONECT 13 15 14 +CONECT 15 17 16 +CONECT 17 19 18 +CONECT 19 20 +CONECT 20 21 +CONECT 21 23 22 +CONECT 23 25 24 +CONECT 25 27 26 +CONECT 27 28 +CONECT 28 30 29 +CONECT 30 32 31 +CONECT 32 34 33 +CONECT 34 36 35 +CONECT 36 37 +ENDMDL diff --git a/examples/unres/CSA/GAB/CSA/global/restrained/1l2y_csa@046.pdb b/examples/unres/CSA/GAB/CSA/global/restrained/1l2y_csa@046.pdb new file mode 100644 index 0000000..2d6cd30 --- /dev/null +++ b/examples/unres/CSA/GAB/CSA/global/restrained/1l2y_csa@046.pdb @@ -0,0 +1,61 @@ +REMARK GM 46 e 5902049 m 20137 ENERGY -9.24902E+01 +HELIX 1 H1 TYR 3 GLY 10 1 7 +ATOM 1 CA ASN 1 3.800 0.000 0.000 0.000 +ATOM 2 CB ASN 1 5.418 0.446 0.133 0.000 +ATOM 3 CA LEU 2 4.056 -3.791 0.000 0.000 +ATOM 4 CB LEU 2 3.532 -5.614 -0.405 0.000 +ATOM 5 CA TYR 3 6.126 -3.749 -3.186 0.000 +ATOM 6 CB TYR 3 5.975 -1.310 -3.633 0.000 +ATOM 7 CA ILE 4 9.335 -3.149 -1.241 0.000 +ATOM 8 CB ILE 4 10.039 -1.543 -0.956 0.000 +ATOM 9 CA GLN 5 8.316 -5.730 1.355 0.000 +ATOM 10 CB GLN 5 7.146 -4.184 2.477 0.000 +ATOM 11 CA TRP 6 7.188 -8.081 -1.410 0.000 +ATOM 12 CB TRP 6 5.668 -10.080 -2.100 0.000 +ATOM 13 CA LEU 7 10.278 -7.241 -3.457 0.000 +ATOM 14 CB LEU 7 9.100 -6.661 -4.884 0.000 +ATOM 15 CA LYS 8 12.500 -7.870 -0.439 0.000 +ATOM 16 CB LYS 8 12.942 -5.484 0.315 0.000 +ATOM 17 CA ASP 9 10.712 -11.124 0.369 0.000 +ATOM 18 CB ASP 9 9.287 -10.390 0.962 0.000 +ATOM 19 CA GLY 10 12.504 -12.844 -2.507 0.000 +ATOM 20 CA GLY 11 11.107 -11.018 -5.533 0.000 +ATOM 21 CA PRO 12 7.501 -12.179 -5.235 0.000 +ATOM 22 CB PRO 12 6.991 -11.101 -5.856 0.000 +ATOM 23 CA SER 13 8.506 -15.563 -3.828 0.000 +ATOM 24 CB SER 13 9.632 -15.685 -3.627 0.000 +ATOM 25 CA SER 14 7.501 -14.704 -0.265 0.000 +ATOM 26 CB SER 14 7.202 -13.601 -0.134 0.000 +ATOM 27 CA GLY 15 4.306 -16.025 1.311 0.000 +ATOM 28 CA ARG 16 2.281 -12.898 0.558 0.000 +ATOM 29 CB ARG 16 4.066 -10.574 1.291 0.000 +ATOM 30 CA PRO 17 0.602 -11.759 -2.654 0.000 +ATOM 31 CB PRO 17 0.194 -10.745 -1.870 0.000 +ATOM 32 CA PRO 18 2.767 -10.732 -5.603 0.000 +ATOM 33 CB PRO 18 1.987 -11.613 -6.255 0.000 +ATOM 34 CA PRO 19 2.835 -7.053 -6.552 0.000 +ATOM 35 CB PRO 19 3.733 -6.990 -5.552 0.000 +ATOM 36 CA SER 20 4.189 -7.722 -10.038 0.000 +ATOM 37 CB SER 20 5.230 -7.572 -9.572 0.000 +TER +CONECT 1 3 2 +CONECT 3 5 4 +CONECT 5 7 6 +CONECT 7 9 8 +CONECT 9 11 10 +CONECT 11 13 12 +CONECT 13 15 14 +CONECT 15 17 16 +CONECT 17 19 18 +CONECT 19 20 +CONECT 20 21 +CONECT 21 23 22 +CONECT 23 25 24 +CONECT 25 27 26 +CONECT 27 28 +CONECT 28 30 29 +CONECT 30 32 31 +CONECT 32 34 33 +CONECT 34 36 35 +CONECT 36 37 +ENDMDL diff --git a/examples/unres/CSA/GAB/CSA/global/restrained/1l2y_csa@047.pdb b/examples/unres/CSA/GAB/CSA/global/restrained/1l2y_csa@047.pdb new file mode 100644 index 0000000..8f3351d --- /dev/null +++ b/examples/unres/CSA/GAB/CSA/global/restrained/1l2y_csa@047.pdb @@ -0,0 +1,61 @@ +REMARK GM 47 e 5960217 m 20327 ENERGY -9.24904E+01 +HELIX 1 H1 TYR 3 GLY 10 1 7 +ATOM 1 CA ASN 1 3.800 0.000 0.000 0.000 +ATOM 2 CB ASN 1 5.418 0.446 0.133 0.000 +ATOM 3 CA LEU 2 4.056 -3.791 0.000 0.000 +ATOM 4 CB LEU 2 3.532 -5.614 -0.405 0.000 +ATOM 5 CA TYR 3 6.126 -3.749 -3.187 0.000 +ATOM 6 CB TYR 3 5.974 -1.310 -3.633 0.000 +ATOM 7 CA ILE 4 9.334 -3.149 -1.241 0.000 +ATOM 8 CB ILE 4 10.039 -1.544 -0.956 0.000 +ATOM 9 CA GLN 5 8.316 -5.730 1.355 0.000 +ATOM 10 CB GLN 5 7.146 -4.184 2.476 0.000 +ATOM 11 CA TRP 6 7.189 -8.081 -1.410 0.000 +ATOM 12 CB TRP 6 5.669 -10.081 -2.101 0.000 +ATOM 13 CA LEU 7 10.278 -7.241 -3.458 0.000 +ATOM 14 CB LEU 7 9.100 -6.662 -4.884 0.000 +ATOM 15 CA LYS 8 12.500 -7.870 -0.440 0.000 +ATOM 16 CB LYS 8 12.942 -5.484 0.314 0.000 +ATOM 17 CA ASP 9 10.712 -11.125 0.367 0.000 +ATOM 18 CB ASP 9 9.287 -10.391 0.960 0.000 +ATOM 19 CA GLY 10 12.504 -12.842 -2.510 0.000 +ATOM 20 CA GLY 11 11.106 -11.016 -5.535 0.000 +ATOM 21 CA PRO 12 7.501 -12.181 -5.237 0.000 +ATOM 22 CB PRO 12 6.990 -11.103 -5.858 0.000 +ATOM 23 CA SER 13 8.511 -15.564 -3.831 0.000 +ATOM 24 CB SER 13 9.637 -15.685 -3.631 0.000 +ATOM 25 CA SER 14 7.504 -14.708 -0.268 0.000 +ATOM 26 CB SER 14 7.205 -13.606 -0.137 0.000 +ATOM 27 CA GLY 15 4.307 -16.026 1.308 0.000 +ATOM 28 CA ARG 16 2.284 -12.898 0.557 0.000 +ATOM 29 CB ARG 16 4.068 -10.574 1.291 0.000 +ATOM 30 CA PRO 17 0.603 -11.758 -2.654 0.000 +ATOM 31 CB PRO 17 0.196 -10.744 -1.870 0.000 +ATOM 32 CA PRO 18 2.767 -10.732 -5.604 0.000 +ATOM 33 CB PRO 18 1.986 -11.612 -6.256 0.000 +ATOM 34 CA PRO 19 2.836 -7.053 -6.553 0.000 +ATOM 35 CB PRO 19 3.733 -6.991 -5.553 0.000 +ATOM 36 CA SER 20 4.190 -7.722 -10.040 0.000 +ATOM 37 CB SER 20 5.231 -7.572 -9.573 0.000 +TER +CONECT 1 3 2 +CONECT 3 5 4 +CONECT 5 7 6 +CONECT 7 9 8 +CONECT 9 11 10 +CONECT 11 13 12 +CONECT 13 15 14 +CONECT 15 17 16 +CONECT 17 19 18 +CONECT 19 20 +CONECT 20 21 +CONECT 21 23 22 +CONECT 23 25 24 +CONECT 25 27 26 +CONECT 27 28 +CONECT 28 30 29 +CONECT 30 32 31 +CONECT 32 34 33 +CONECT 34 36 35 +CONECT 36 37 +ENDMDL diff --git a/examples/unres/CSA/GAB/CSA/global/restrained/1l2y_csa@048.pdb b/examples/unres/CSA/GAB/CSA/global/restrained/1l2y_csa@048.pdb new file mode 100644 index 0000000..2403bec --- /dev/null +++ b/examples/unres/CSA/GAB/CSA/global/restrained/1l2y_csa@048.pdb @@ -0,0 +1,61 @@ +REMARK GM 48 e 7563906 m 25777 ENERGY -9.24904E+01 +HELIX 1 H1 TYR 3 GLY 10 1 7 +ATOM 1 CA ASN 1 3.800 0.000 0.000 0.000 +ATOM 2 CB ASN 1 5.418 0.446 0.133 0.000 +ATOM 3 CA LEU 2 4.056 -3.791 0.000 0.000 +ATOM 4 CB LEU 2 3.532 -5.614 -0.405 0.000 +ATOM 5 CA TYR 3 6.126 -3.749 -3.187 0.000 +ATOM 6 CB TYR 3 5.974 -1.310 -3.633 0.000 +ATOM 7 CA ILE 4 9.335 -3.149 -1.241 0.000 +ATOM 8 CB ILE 4 10.039 -1.543 -0.956 0.000 +ATOM 9 CA GLN 5 8.316 -5.730 1.354 0.000 +ATOM 10 CB GLN 5 7.146 -4.184 2.476 0.000 +ATOM 11 CA TRP 6 7.189 -8.081 -1.410 0.000 +ATOM 12 CB TRP 6 5.669 -10.081 -2.101 0.000 +ATOM 13 CA LEU 7 10.278 -7.241 -3.458 0.000 +ATOM 14 CB LEU 7 9.100 -6.661 -4.884 0.000 +ATOM 15 CA LYS 8 12.500 -7.870 -0.440 0.000 +ATOM 16 CB LYS 8 12.942 -5.484 0.314 0.000 +ATOM 17 CA ASP 9 10.713 -11.124 0.367 0.000 +ATOM 18 CB ASP 9 9.287 -10.391 0.960 0.000 +ATOM 19 CA GLY 10 12.505 -12.842 -2.510 0.000 +ATOM 20 CA GLY 11 11.106 -11.016 -5.535 0.000 +ATOM 21 CA PRO 12 7.501 -12.181 -5.237 0.000 +ATOM 22 CB PRO 12 6.990 -11.103 -5.858 0.000 +ATOM 23 CA SER 13 8.511 -15.564 -3.831 0.000 +ATOM 24 CB SER 13 9.637 -15.684 -3.631 0.000 +ATOM 25 CA SER 14 7.504 -14.708 -0.268 0.000 +ATOM 26 CB SER 14 7.206 -13.605 -0.137 0.000 +ATOM 27 CA GLY 15 4.307 -16.026 1.307 0.000 +ATOM 28 CA ARG 16 2.285 -12.898 0.557 0.000 +ATOM 29 CB ARG 16 4.068 -10.574 1.290 0.000 +ATOM 30 CA PRO 17 0.603 -11.758 -2.654 0.000 +ATOM 31 CB PRO 17 0.197 -10.744 -1.870 0.000 +ATOM 32 CA PRO 18 2.768 -10.732 -5.604 0.000 +ATOM 33 CB PRO 18 1.987 -11.613 -6.256 0.000 +ATOM 34 CA PRO 19 2.836 -7.053 -6.553 0.000 +ATOM 35 CB PRO 19 3.734 -6.991 -5.553 0.000 +ATOM 36 CA SER 20 4.191 -7.722 -10.040 0.000 +ATOM 37 CB SER 20 5.231 -7.572 -9.573 0.000 +TER +CONECT 1 3 2 +CONECT 3 5 4 +CONECT 5 7 6 +CONECT 7 9 8 +CONECT 9 11 10 +CONECT 11 13 12 +CONECT 13 15 14 +CONECT 15 17 16 +CONECT 17 19 18 +CONECT 19 20 +CONECT 20 21 +CONECT 21 23 22 +CONECT 23 25 24 +CONECT 25 27 26 +CONECT 27 28 +CONECT 28 30 29 +CONECT 30 32 31 +CONECT 32 34 33 +CONECT 34 36 35 +CONECT 36 37 +ENDMDL diff --git a/examples/unres/CSA/GAB/CSA/global/restrained/1l2y_csa@049.pdb b/examples/unres/CSA/GAB/CSA/global/restrained/1l2y_csa@049.pdb new file mode 100644 index 0000000..05e1f93 --- /dev/null +++ b/examples/unres/CSA/GAB/CSA/global/restrained/1l2y_csa@049.pdb @@ -0,0 +1,61 @@ +REMARK GM 49 e 10111545 m 34606 ENERGY -9.24904E+01 +HELIX 1 H1 TYR 3 GLY 10 1 7 +ATOM 1 CA ASN 1 3.800 0.000 0.000 0.000 +ATOM 2 CB ASN 1 5.418 0.446 0.133 0.000 +ATOM 3 CA LEU 2 4.056 -3.791 0.000 0.000 +ATOM 4 CB LEU 2 3.532 -5.614 -0.405 0.000 +ATOM 5 CA TYR 3 6.126 -3.749 -3.187 0.000 +ATOM 6 CB TYR 3 5.974 -1.310 -3.633 0.000 +ATOM 7 CA ILE 4 9.335 -3.149 -1.241 0.000 +ATOM 8 CB ILE 4 10.039 -1.543 -0.956 0.000 +ATOM 9 CA GLN 5 8.316 -5.730 1.354 0.000 +ATOM 10 CB GLN 5 7.146 -4.184 2.476 0.000 +ATOM 11 CA TRP 6 7.189 -8.081 -1.410 0.000 +ATOM 12 CB TRP 6 5.669 -10.081 -2.101 0.000 +ATOM 13 CA LEU 7 10.278 -7.241 -3.458 0.000 +ATOM 14 CB LEU 7 9.100 -6.662 -4.885 0.000 +ATOM 15 CA LYS 8 12.501 -7.870 -0.440 0.000 +ATOM 16 CB LYS 8 12.942 -5.484 0.314 0.000 +ATOM 17 CA ASP 9 10.713 -11.124 0.367 0.000 +ATOM 18 CB ASP 9 9.288 -10.391 0.960 0.000 +ATOM 19 CA GLY 10 12.505 -12.842 -2.510 0.000 +ATOM 20 CA GLY 11 11.106 -11.016 -5.535 0.000 +ATOM 21 CA PRO 12 7.501 -12.181 -5.237 0.000 +ATOM 22 CB PRO 12 6.990 -11.103 -5.858 0.000 +ATOM 23 CA SER 13 8.511 -15.563 -3.830 0.000 +ATOM 24 CB SER 13 9.637 -15.684 -3.630 0.000 +ATOM 25 CA SER 14 7.504 -14.707 -0.268 0.000 +ATOM 26 CB SER 14 7.206 -13.605 -0.136 0.000 +ATOM 27 CA GLY 15 4.307 -16.025 1.308 0.000 +ATOM 28 CA ARG 16 2.285 -12.897 0.557 0.000 +ATOM 29 CB ARG 16 4.069 -10.573 1.291 0.000 +ATOM 30 CA PRO 17 0.603 -11.758 -2.654 0.000 +ATOM 31 CB PRO 17 0.196 -10.744 -1.870 0.000 +ATOM 32 CA PRO 18 2.768 -10.732 -5.604 0.000 +ATOM 33 CB PRO 18 1.987 -11.612 -6.256 0.000 +ATOM 34 CA PRO 19 2.836 -7.053 -6.553 0.000 +ATOM 35 CB PRO 19 3.733 -6.991 -5.553 0.000 +ATOM 36 CA SER 20 4.191 -7.722 -10.040 0.000 +ATOM 37 CB SER 20 5.231 -7.573 -9.574 0.000 +TER +CONECT 1 3 2 +CONECT 3 5 4 +CONECT 5 7 6 +CONECT 7 9 8 +CONECT 9 11 10 +CONECT 11 13 12 +CONECT 13 15 14 +CONECT 15 17 16 +CONECT 17 19 18 +CONECT 19 20 +CONECT 20 21 +CONECT 21 23 22 +CONECT 23 25 24 +CONECT 25 27 26 +CONECT 27 28 +CONECT 28 30 29 +CONECT 30 32 31 +CONECT 32 34 33 +CONECT 34 36 35 +CONECT 36 37 +ENDMDL diff --git a/examples/unres/CSA/GAB/CSA/global/restrained/1l2y_csa@050.pdb b/examples/unres/CSA/GAB/CSA/global/restrained/1l2y_csa@050.pdb new file mode 100644 index 0000000..f65bd36 --- /dev/null +++ b/examples/unres/CSA/GAB/CSA/global/restrained/1l2y_csa@050.pdb @@ -0,0 +1,61 @@ +REMARK GM 50 e 11420530 m 39213 ENERGY -9.24904E+01 +HELIX 1 H1 TYR 3 GLY 10 1 7 +ATOM 1 CA ASN 1 3.800 0.000 0.000 0.000 +ATOM 2 CB ASN 1 5.418 0.446 0.133 0.000 +ATOM 3 CA LEU 2 4.056 -3.791 0.000 0.000 +ATOM 4 CB LEU 2 3.532 -5.614 -0.405 0.000 +ATOM 5 CA TYR 3 6.126 -3.749 -3.187 0.000 +ATOM 6 CB TYR 3 5.974 -1.310 -3.633 0.000 +ATOM 7 CA ILE 4 9.335 -3.149 -1.241 0.000 +ATOM 8 CB ILE 4 10.039 -1.543 -0.956 0.000 +ATOM 9 CA GLN 5 8.316 -5.730 1.354 0.000 +ATOM 10 CB GLN 5 7.146 -4.184 2.476 0.000 +ATOM 11 CA TRP 6 7.189 -8.081 -1.410 0.000 +ATOM 12 CB TRP 6 5.669 -10.081 -2.101 0.000 +ATOM 13 CA LEU 7 10.278 -7.241 -3.458 0.000 +ATOM 14 CB LEU 7 9.100 -6.662 -4.885 0.000 +ATOM 15 CA LYS 8 12.500 -7.870 -0.440 0.000 +ATOM 16 CB LYS 8 12.942 -5.484 0.314 0.000 +ATOM 17 CA ASP 9 10.713 -11.124 0.367 0.000 +ATOM 18 CB ASP 9 9.288 -10.391 0.960 0.000 +ATOM 19 CA GLY 10 12.505 -12.842 -2.510 0.000 +ATOM 20 CA GLY 11 11.106 -11.016 -5.535 0.000 +ATOM 21 CA PRO 12 7.501 -12.181 -5.237 0.000 +ATOM 22 CB PRO 12 6.990 -11.103 -5.858 0.000 +ATOM 23 CA SER 13 8.511 -15.563 -3.830 0.000 +ATOM 24 CB SER 13 9.637 -15.684 -3.630 0.000 +ATOM 25 CA SER 14 7.504 -14.707 -0.268 0.000 +ATOM 26 CB SER 14 7.206 -13.605 -0.136 0.000 +ATOM 27 CA GLY 15 4.307 -16.025 1.308 0.000 +ATOM 28 CA ARG 16 2.284 -12.897 0.557 0.000 +ATOM 29 CB ARG 16 4.069 -10.573 1.290 0.000 +ATOM 30 CA PRO 17 0.603 -11.758 -2.655 0.000 +ATOM 31 CB PRO 17 0.196 -10.744 -1.870 0.000 +ATOM 32 CA PRO 18 2.768 -10.732 -5.605 0.000 +ATOM 33 CB PRO 18 1.987 -11.612 -6.256 0.000 +ATOM 34 CA PRO 19 2.836 -7.053 -6.553 0.000 +ATOM 35 CB PRO 19 3.733 -6.991 -5.553 0.000 +ATOM 36 CA SER 20 4.191 -7.722 -10.040 0.000 +ATOM 37 CB SER 20 5.231 -7.573 -9.574 0.000 +TER +CONECT 1 3 2 +CONECT 3 5 4 +CONECT 5 7 6 +CONECT 7 9 8 +CONECT 9 11 10 +CONECT 11 13 12 +CONECT 13 15 14 +CONECT 15 17 16 +CONECT 17 19 18 +CONECT 19 20 +CONECT 20 21 +CONECT 21 23 22 +CONECT 23 25 24 +CONECT 25 27 26 +CONECT 27 28 +CONECT 28 30 29 +CONECT 30 32 31 +CONECT 32 34 33 +CONECT 34 36 35 +CONECT 36 37 +ENDMDL diff --git a/examples/unres/CSA/GAB/CSA/global/restrained/1l2y_csa_12569.int b/examples/unres/CSA/GAB/CSA/global/restrained/1l2y_csa_12569.int new file mode 100644 index 0000000..d42ff94 --- /dev/null +++ b/examples/unres/CSA/GAB/CSA/global/restrained/1l2y_csa_12569.int @@ -0,0 +1,2600 @@ + 1 -82.918 0 + 93.9085 91.5062 90.5894 89.9161 90.0475 90.9330 90.2521 92.3904 + 92.3885 117.6545 118.4979 111.6849 93.3855 134.1510 94.3988 139.8390 + 121.2319 93.4118 93.3466 93.3073 + 123.7727 88.4844 50.4255 42.4879 47.1297 54.4146 38.9735 62.6434 + -69.5903 -47.8042 -60.1548 144.7791 84.6359 -103.3061 167.1803 -71.8609 + -157.8914 117.9169 37.9158 + 146.1298 129.1012 97.2163 150.1936 120.0706 127.5855 134.9491 127.6802 + 139.2237 0.0000 0.0000 132.7422 114.2635 121.1312 0.0000 147.9360 + 112.0114 105.0010 94.2202 112.6563 + -7.2769 -16.0129 -91.2496 -99.1898 -125.9949 43.8435 -146.0374 -134.2989 + -122.8144 0.0000 0.0000 -147.4315 -77.4311 -84.5775 0.0000 -97.7792 + -117.6895 -104.6975 -97.4075 -78.1505 + 2 -83.659 0 + 93.7914 92.0858 90.5983 90.0958 89.2791 89.3497 90.1216 91.6088 + 91.0267 94.1846 154.4275 118.4830 92.8185 115.4405 126.3225 128.2623 + 118.3219 121.6365 118.7448 121.8861 + 98.9249 135.2811 57.1991 42.9246 48.3291 52.6823 47.1711 75.1801 + -80.7929 158.0754 -39.6618 -140.4597 98.1065 -111.0390 -179.8843 -88.4293 + -108.8269 -137.0322 -118.3136 + 148.8844 120.7022 84.1325 144.8558 127.5150 128.1733 153.5394 129.7126 + 134.5885 0.0000 0.0000 108.2949 115.0033 114.5374 0.0000 131.8765 + 124.9631 107.8938 117.5822 121.4489 + -20.0268 -45.0438 -96.2549 -95.5097 -150.8787 2.4363 -131.2156 -137.7535 + -123.3018 0.0000 0.0000 -109.4539 -76.9709 -80.4585 0.0000 -110.6223 + -135.2055 -105.3152 -119.3717 -81.0891 + 3 -86.555 0 + 93.8973 91.5570 91.2525 90.4315 89.9643 90.5006 91.0726 93.2115 + 90.2039 98.5727 105.9579 98.6180 93.9888 106.8400 94.8294 124.1606 + 116.5539 122.3328 94.1813 93.2948 + 121.1651 84.6317 45.2756 43.4086 46.2241 51.0398 45.3149 110.3856 + -45.5919 -39.3897 -13.3829 -43.4320 -25.0607 -57.7465 78.8757 -78.9042 + -112.4698 -156.1710 63.5876 + 145.9617 136.2054 126.8935 147.8496 118.5122 156.8909 142.3294 132.4530 + 143.1101 0.0000 0.0000 97.3222 115.0349 115.2692 0.0000 90.2177 + 115.9448 125.7084 100.6193 117.1198 + -9.5378 -24.6269 115.2253 -92.7387 -122.8492 24.1801 -143.4434 -134.0669 + -83.8403 0.0000 0.0000 -83.5891 -76.9167 -78.1659 0.0000 -62.8713 + -120.1326 -128.5996 -100.2583 -74.7850 + 4 -85.451 0 + 117.5482 91.3800 91.4565 90.6839 90.1976 91.6114 90.6018 92.0490 + 91.9722 124.6044 138.4230 107.4880 90.8257 91.1381 114.3081 136.0582 + 123.7374 117.3023 118.5435 121.8583 + -84.8206 84.7776 43.1031 46.2480 41.2258 51.1576 36.6425 59.9166 + -71.1741 -74.3441 -30.4909 -27.0930 94.4837 -4.6411 -17.9317 -79.4352 + -147.7002 -108.9682 -118.3758 + 145.0351 125.0838 94.3406 149.3762 120.9883 135.5424 132.0506 133.0729 + 131.0217 0.0000 0.0000 94.3357 112.8460 105.3727 0.0000 134.4473 + 112.8236 140.0432 114.6352 121.4382 + -31.8407 -20.0798 -89.7365 -97.5230 -123.0449 26.1626 -159.4647 -133.2166 + -116.9140 0.0000 0.0000 -87.4710 -74.9201 -78.6841 0.0000 -65.2892 + -113.8681 -151.7171 -116.3059 -81.0698 + 5 -84.634 0 + 93.7462 93.0485 127.3451 92.0624 90.7678 90.6845 90.2194 90.6218 + 93.9587 120.9533 98.0039 92.0607 92.0965 126.2044 123.8737 129.8230 + 119.1644 120.3362 93.6385 93.3878 + 85.9562 122.9255 -102.6596 56.0271 42.5206 53.7520 62.5878 27.9811 + -109.4590 -67.8578 -37.8359 -46.6440 93.6548 -101.7833 -174.3251 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121.0094 93.0125 93.4315 + 103.4618 72.0937 46.2213 45.1729 46.6776 45.6806 46.0474 74.4619 + -68.6783 -70.5123 -24.3764 104.0098 90.4079 -93.7812 86.6383 -70.0450 + -111.9384 -149.2554 86.6441 + 146.5360 139.1088 122.9550 146.8946 117.4280 156.3680 135.2800 136.9864 + 129.3256 0.0000 0.0000 133.6296 116.7058 119.4248 0.0000 138.0556 + 107.6912 112.9332 103.4052 118.7437 + -10.8407 -38.4574 120.9060 -94.4989 -122.5084 14.8461 -139.5290 -129.7114 + -137.0865 0.0000 0.0000 -156.0290 -75.9627 -77.6847 0.0000 -112.4481 + -112.9978 -112.5724 -110.0676 -132.4033 diff --git a/examples/unres/CSA/GAB/CSA/global/restrained/1l2y_csa_GB000.mol2 b/examples/unres/CSA/GAB/CSA/global/restrained/1l2y_csa_GB000.mol2 new file mode 100644 index 0000000..e69de29 diff --git a/examples/unres/CSA/GAB/CSA/global/restrained/1l2y_csa_GB000.pdb b/examples/unres/CSA/GAB/CSA/global/restrained/1l2y_csa_GB000.pdb new file mode 100644 index 0000000..e69de29 diff --git a/examples/unres/CSA/GAB/CSA/global/restrained/1l2y_csa_GB000.stat b/examples/unres/CSA/GAB/CSA/global/restrained/1l2y_csa_GB000.stat new file mode 100644 index 0000000..e69de29 diff --git a/examples/unres/CSA/GAB/CSA/global/restrained/jpred_prediction/LOG b/examples/unres/CSA/GAB/CSA/global/restrained/jpred_prediction/LOG new file mode 100644 index 0000000..bba1b43 --- /dev/null +++ b/examples/unres/CSA/GAB/CSA/global/restrained/jpred_prediction/LOG @@ -0,0 +1,113 @@ +## Running Jpred Server version 3.0.1 ## + +--/homes/www-jpred/live/bin/webrun --email --log /homes/www-jpred/live/public_html/results/jp_fSt_H_1/LOG --sequence /homes/www-jpred/live/public_html/results/jp_fSt_H_1/jp_fSt_H_1.seq --format seq --id jp_fSt_H_1 +--TIMEOUT set at 3600 seconds +--Started work on jp_fSt_H_1 at Fri Apr 20 00:38:00 2012 +--On machine fc-026.cluster.lifesci.dundee.ac.uk +--format = seq +>>10% complete +--Running Jpred pipeline +--CMD /homes/www-jpred/live/jpred/jpred --seq jp_fSt_H_1.fasta --output jp_fSt_H_1 --db uniref90 --pred-nohits --verbose +path: jp_fSt_H_1.fasta +output: jp_fSt_H_1 +db: uniref90 +Running PSI-BLAST on query against 'uniref90.filt'... +[blastpgp] WARNING: posPurgeMatches: Due to purging near identical sequences, only the query is used to construct the position-specific score matrix + +blastpgp error.log file was not empty + +JPRED: no PSI-BLAST hits found. Continuing with single query sequence only. + +>>50% complete +Running HMMer on query... +hmmbuild - build a hidden Markov model from an alignment +HMMER 2.3.2 (Oct 2003) +Copyright (C) 1992-2003 HHMI/Washington University School of Medicine +Freely distributed under the GNU General Public License (GPL) +- - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - +Alignment file: jp_fSt_H_1.fasta +File format: a2m +Search algorithm configuration: Multiple domain (hmmls) +Model construction strategy: Fast/ad hoc (gapmax 1.00) +Null model used: (default) +Prior used: (default) +Sequence weighting method: BLOSUM filter at 0.62 id +New HMM file: /local/tmp/1663474.1.64bit-pri.q/Rfyw3iB1aW +- - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - + +Alignment: #1 +Number of sequences: 1 +Number of columns: 20 + +Determining effective sequence number ... done. [1] +Weighting sequences heuristically ... done. +Constructing model architecture ... done. +Converting counts to probabilities ... done. +Setting model name, etc. ... done. [jp_fSt_H_1] + +Constructed a profile HMM (length 20) +Average score: 56.91 bits +Minimum score: 56.91 bits +Maximum score: 56.91 bits +Std. deviation: 0.00 bits + +Finalizing model configuration ... done. +Saving model to file ... done. +// + +hmmconvert - convert between profile HMM file formats +HMMER 2.3.2 (Oct 2003) +Copyright (C) 1992-2003 HHMI/Washington University School of Medicine +Freely distributed under the GNU General Public License (GPL) +- - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - +Input HMM file: /local/tmp/1663474.1.64bit-pri.q/Rfyw3iB1aW +Output HMM file: /local/tmp/1663474.1.64bit-pri.q/DFOxHLRNxl +Converting to: GCG Profile .prf +- - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - + + - converted jp_fSt_H_1 + +1 HMM(s) converted and written to /local/tmp/1663474.1.64bit-pri.q/DFOxHLRNxl +>>70% complete +Running JNet using the generated inputs from HMM only... +Jnet 2.2 +Found HMM profile data +Running final predictions! + + +WARNING!: Only using the HMM profile +Accuracy will average 79.6% + +Jpred Finished +>>80% complete +--Running ncoils and multicoil + 1 sequences 20 aas 0 in coil + 1 sequences 20 aas 0 in coil + 1 sequences 20 aas 0 in coil +>>90% complete +--creating output +"JNETALIGN" data not present +"JNETPSSM" data not present + +ALSCRIPT (ALignment to PostScript) +ALSCRIPT Version 2.07a - 21 March 2000 + +See ALSCRIPT.DOC for details + +Please Reference: Barton, G. J. (1993), Protein Engineering, 6, 37-40. + +By: G. J. Barton + +Copyright: Geoffrey J. Barton (1992,1997) +email: geoff@ebi.ac.uk + +Initial Defaults: +Maximum number of sequences: 500 (Change using MAX_NSEQ command) +Maximum sequence length: 8000 (Change using MAX_SEQ_LEN command) +Maximum identifier length: 50 (Change using MAX_ID_LEN command) +ALscript Command File: jp_fSt_H_1.als +Starting ALSCRIPT +SILENT_MODE +Max No. of sequences now: 50 +ALscript Finished +--tarring up the data diff --git a/examples/unres/CSA/GAB/CSA/global/restrained/jpred_prediction/README b/examples/unres/CSA/GAB/CSA/global/restrained/jpred_prediction/README new file mode 100644 index 0000000..1c9d5ea --- /dev/null +++ b/examples/unres/CSA/GAB/CSA/global/restrained/jpred_prediction/README @@ -0,0 +1,20 @@ +Filename Description +-------- ----------- +jp_fSt_H_1.align PSIBLAST alignment with gaps and redundancy removed in FASTA format +jp_fSt_H_1.als Alscript command file. Used to generate PS/PDF outputjp_fSt_H_1.blast.gz PSIBLAST output (compressed) +jp_fSt_H_1.coils.csv The output from coils in CSV format +jp_fSt_H_1.coilseq.lupas_14 The output from coils using a window length of 14 +jp_fSt_H_1.coilseq.lupas_21 The output from coils using a window length of 21 +jp_fSt_H_1.coilseq.lupas_28 The output from coils using a window length of 28 +jp_fSt_H_1.concise The prediction in pseudo-CSV format, including the coiled-coil prediction, solvent accessiblity and the sequence alignment +jp_fSt_H_1.concise.blc A BLC file of the prediction and alignment +jp_fSt_H_1.concise.pdf A PDF file of the prediction and alignment +jp_fSt_H_1.concise.ps A PostScript file of the prediction and alignment +jp_fSt_H_1.fasta Input query sequence in FASTA format +jp_fSt_H_1.hmm The HHMer2 profile of the alignment +jp_fSt_H_1.html A HTML file of the prediction and alignment +jp_fSt_H_1.jalview A Jalview annotation file to be read in with the .align file to view the predictions in Jalview +jp_fSt_H_1.jnet The output from Jnet +jp_fSt_H_1.profile PSIBLAST profile +jp_fSt_H_1.seq Your sequence +jp_fSt_H_1.simple.html The brief HTML output of the query sequence and prediction only diff --git a/examples/unres/CSA/GAB/CSA/global/restrained/jpred_prediction/jp_fSt_H_1.align b/examples/unres/CSA/GAB/CSA/global/restrained/jpred_prediction/jp_fSt_H_1.align new file mode 100644 index 0000000..a0be3f9 --- /dev/null +++ b/examples/unres/CSA/GAB/CSA/global/restrained/jpred_prediction/jp_fSt_H_1.align @@ -0,0 +1,2 @@ +>jp_fSt_H_1 +NLYIQWLKDGGPSSGRPPPS diff --git a/examples/unres/CSA/GAB/CSA/global/restrained/jpred_prediction/jp_fSt_H_1.als b/examples/unres/CSA/GAB/CSA/global/restrained/jpred_prediction/jp_fSt_H_1.als new file mode 100644 index 0000000..b929afd --- /dev/null +++ b/examples/unres/CSA/GAB/CSA/global/restrained/jpred_prediction/jp_fSt_H_1.als @@ -0,0 +1,46 @@ +SILENT_MODE +BLOCK_FILE jp_fSt_H_1.concise.blc +MAX_NSEQ 50 +MAX_INPUT_LEN 50 +OUTPUT_FILE jp_fSt_H_1.concise.ps +PORTRAIT +POINTSIZE 8 +IDENT_WIDTH 12 +X_OFFSET 2 +Y_OFFSET 2 +DEFINE_FONT 0 Helvetica DEFAULT +DEFINE_FONT 1 Helvetica REL 0.75 +DEFINE_FONT 7 Helvetica REL 0.6 +DEFINE_FONT 3 Helvetica-Bold DEFAULT +DEFINE_FONT 4 Times-Bold DEFAULT +DEFINE_FONT 5 Helvetica-BoldOblique DEFAULT +# +DEFINE_COLOUR 3 1 0.62 0.67 # Turquiose +DEFINE_COLOUR 4 1 1 0 # Yellow +DEFINE_COLOUR 5 1 0 0 # Red +DEFINE_COLOUR 7 1 0 1 # Purple +DEFINE_COLOUR 8 0 0 1 # Blue +DEFINE_COLOUR 9 0 1 0 # Green +DEFINE_COLOUR 10 0.41 0.64 1.00 # Pale blue +DEFINE_COLOUR 11 0.41 0.82 0.67 # Pale green +DEFINE_COLOUR 50 0.69 0.18 0.37 # Pink (helix) +DEFINE_COLOUR 51 1.00 0.89 0.00 # Gold (strand) +NUMBER_INT 10 +SETUP +# +# Highlight specific residues. +# Avoid highlighting Lupas 'C' predictions by +# limiting the highlighting to the alignments +Scol_CHARS C 1 1 20 4 4 +Ccol_CHARS H ALL 5 +Ccol_CHARS P ALL 8 +SURROUND_CHARS LIV ALL +# +# Replace known structure types with whitespace +SUB_CHARS 1 5 20 13 H SPACE +SUB_CHARS 1 5 20 13 E SPACE +SUB_CHARS 1 5 20 13 - 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0.34978 0.21417 0.30576 0.25162 0.94159 0.44522 0.26308 0.12026 0.17799 0.94159 0.32519 0.29943 0.32739 diff --git a/examples/unres/CSA/GAB/CSA/global/restrained/jpred_prediction/jp_fSt_H_1.html b/examples/unres/CSA/GAB/CSA/global/restrained/jpred_prediction/jp_fSt_H_1.html new file mode 100644 index 0000000..33f4667 --- /dev/null +++ b/examples/unres/CSA/GAB/CSA/global/restrained/jpred_prediction/jp_fSt_H_1.html @@ -0,0 +1,50 @@ +Jpred secondary structure prediction results

jp_fSt_H_1 : NLYIQWLKDGGPSSGRPPPS : jp_fSt_H_1 
+
+           : 1---------11-------- :
+OrigSeq    : NLYIQWLKDGGPSSGRPPPS : OrigSeq
+
+Jnet       : --HHHHHH------------ : Jnet
+jhmm       : --HHHHHH------------ : jhmm
+
+Lupas 14   : -------------------- : Lupas 14
+Lupas 21   : -------------------- : Lupas 21
+Lupas 28   : -------------------- : Lupas 28
+
+Jnet_25    : -BBB-BB---B--------- : Jnet_25
+Jnet_5     : ---B--B------------- : Jnet_5
+Jnet_0     : -------------------- : Jnet_0
+Jnet Rel   : 92115553367777788899 : Jnet Rel
+

+Notes
+Key:
+Colour code for alignment:
+Blue            - Complete identity at a position
+Shades of red   - The more red a position is, the higher the level of
+                  conservation of chemical properties of the amino acids
+Jnet            - Final secondary structure prediction for query
+jalign          - Jnet alignment prediction
+jhmm            - Jnet hmm profile prediction
+jpssm           - Jnet PSIBLAST pssm profile prediction
+
+Lupas           - Lupas Coil prediction (window size of 14, 21 and 28)
+
+Note on coiled coil predictions  - = less than 50% probability
+                                 c = between 50% and 90% probability
+                                 C = greater than 90% probability
+
+Jnet_25         - Jnet prediction of burial, less than 25% solvent accesibility
+Jnet_5          - Jnet prediction of burial, less than 5% exposure
+Jnet_0          - Jnet prediction of burial, 0% exposure
+Jnet Rel        - Jnet reliability of prediction accuracy, ranges from 0 to 9, bigger is better.
+
+ + + \ No newline at end of file diff --git a/examples/unres/CSA/GAB/CSA/global/restrained/jpred_prediction/jp_fSt_H_1.jalview b/examples/unres/CSA/GAB/CSA/global/restrained/jpred_prediction/jp_fSt_H_1.jalview new file mode 100644 index 0000000..f89dc6f --- /dev/null +++ b/examples/unres/CSA/GAB/CSA/global/restrained/jpred_prediction/jp_fSt_H_1.jalview @@ -0,0 +1,12 @@ +JALVIEW_ANNOTATION +# Created by concise2jalview using 'jp_fSt_H_1.concise' as input + +NO_GRAPH Lupas_21 Coiled-coil prediction windowed over 21 residues -|-|-|-|-|-|-|-|-|-|-|-|-|-|-|-|-|-|-|- +NO_GRAPH Lupas_14 Coiled-coil prediction windowed over 14 residues -|-|-|-|-|-|-|-|-|-|-|-|-|-|-|-|-|-|-|- +NO_GRAPH Lupas_28 Coiled-coil prediction windowed over 28 residues -|-|-|-|-|-|-|-|-|-|-|-|-|-|-|-|-|-|-|- +NO_GRAPH jnetpred Final secondary structure prediction by Jnet ||H|H|H|H|H|H|||||||||||| +BAR_GRAPH JNETCONF Confidence of Jnet prediction 0 (low) -> 9 (high) 9|2|1|1|5|5|5|3|3|6|7|7|7|7|7|8|8|8|9|9 +NO_GRAPH JNETSOL25 Jnet solvent relative accessibility prediction at 25% cut-off -|B|B|B|-|B|B|-|-|-|B|-|-|-|-|-|-|-|-|- +NO_GRAPH JNETSOL5 Jnet solvent relative accessibility prediction at 5% cut-off -|-|-|B|-|-|B|-|-|-|-|-|-|-|-|-|-|-|-|- +NO_GRAPH JNETSOL0 Jnet solvent relative accessibility prediction at 0% cut-off -|-|-|-|-|-|-|-|-|-|-|-|-|-|-|-|-|-|-|- +NO_GRAPH JNETHMM Jnet prediction using HMMer profiles ||H|H|H|H|H|H|||||||||||| diff --git a/examples/unres/CSA/GAB/CSA/global/restrained/jpred_prediction/jp_fSt_H_1.jnet b/examples/unres/CSA/GAB/CSA/global/restrained/jpred_prediction/jp_fSt_H_1.jnet new file mode 100644 index 0000000..1d92775 --- /dev/null +++ b/examples/unres/CSA/GAB/CSA/global/restrained/jpred_prediction/jp_fSt_H_1.jnet @@ -0,0 +1,10 @@ + +jnetpred:-,-,H,H,H,H,H,H,-,-,-,-,-,-,-,-,-,-,-,-, +JNETCONF:9,2,1,1,5,5,5,3,3,6,7,7,7,7,7,8,8,8,9,9, +JNETSOL25:-,B,B,B,-,B,B,-,-,-,B,-,-,-,-,-,-,-,-,-, +JNETSOL5:-,-,-,B,-,-,B,-,-,-,-,-,-,-,-,-,-,-,-,-, +JNETSOL0:-,-,-,-,-,-,-,-,-,-,-,-,-,-,-,-,-,-,-,-, +JNETHMM:-,-,H,H,H,H,H,H,-,-,-,-,-,-,-,-,-,-,-,-, +JNETPROPH:0.0438,0.0240,0.9116,0.1305,0.1736,0.3859,0.2974,0.3503,0.1082,0.2958,0.4445,0.0762,0.1323,0.6079,0.1003,0.0771,0.6896,0.1620,0.0774,0.7001, +JNETPROPE:0.1305,0.1736,0.3859,0.2974,0.3503,0.1082,0.2958,0.4445,0.0762,0.1323,0.6079,0.1003,0.0771,0.6896,0.1620,0.0774,0.7001,0.2101,0.0592,0.6040, +JNETPROPC:0.2974,0.3503,0.1082,0.2958,0.4445,0.0762,0.1323,0.6079,0.1003,0.0771,0.6896,0.1620,0.0774,0.7001,0.2101,0.0592,0.6040,0.3398,0.0368,0.3613, diff --git a/examples/unres/CSA/GAB/CSA/global/restrained/jpred_prediction/jp_fSt_H_1.profile b/examples/unres/CSA/GAB/CSA/global/restrained/jpred_prediction/jp_fSt_H_1.profile new file mode 100644 index 0000000..c4b747c --- /dev/null +++ b/examples/unres/CSA/GAB/CSA/global/restrained/jpred_prediction/jp_fSt_H_1.profile @@ -0,0 +1,29 @@ + +Last position-specific scoring matrix computed, weighted observed percentages rounded down, information per position, and relative weight of gapless real matches to pseudocounts + A R N D C Q E G H I L K M F P S T W Y V A R N D C Q E G H I L K M F P S T W Y V + 1 N -2 0 6 1 -3 0 0 0 1 -3 -3 0 -2 -3 -2 1 0 -4 -2 -3 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0.00 0.00 + 2 L -1 -2 -3 -4 -1 -2 -3 -4 -3 2 4 -2 2 0 -3 -2 -1 -2 -1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0.00 0.00 + 3 Y -2 -2 -2 -3 -2 -1 -2 -3 2 -1 -1 -2 -1 3 -3 -2 -2 2 7 -1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0.00 0.00 + 4 I -1 -3 -3 -3 -1 -3 -3 -4 -3 4 2 -3 1 0 -3 -2 -1 -3 -1 3 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0.00 0.00 + 5 Q -1 1 0 0 -3 5 2 -2 0 -3 -2 1 0 -3 -1 0 -1 -2 -1 -2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0.00 0.00 + 6 W -2 -3 -4 -4 -2 -2 -3 -2 -2 -3 -2 -3 -1 1 -4 -3 -2 10 2 -3 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0.00 0.00 + 7 L -1 -2 -3 -4 -1 -2 -3 -4 -3 2 4 -2 2 0 -3 -2 -1 -2 -1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0.00 0.00 + 8 K -1 2 0 -1 -3 1 1 -2 -1 -3 -2 4 -1 -3 -1 0 -1 -3 -2 -2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0.00 0.00 + 9 D -2 -2 1 6 -3 0 1 -1 -1 -3 -4 -1 -3 -3 -1 0 -1 -4 -3 -3 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0.00 0.00 + 10 G 0 -2 0 -1 -2 -2 -2 6 -2 -4 -4 -2 -3 -3 -2 0 -2 -2 -3 -3 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0.00 0.00 + 11 G 0 -2 0 -1 -2 -2 -2 6 -2 -4 -4 -2 -3 -3 -2 0 -2 -2 -3 -3 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0.00 0.00 + 12 P -1 -2 -2 -1 -3 -1 -1 -2 -2 -3 -3 -1 -2 -4 7 -1 -1 -4 -3 -2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0.00 0.00 + 13 S 1 -1 1 0 -1 0 0 0 -1 -2 -2 0 -1 -2 -1 4 1 -3 -2 -2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0.00 0.00 + 14 S 1 -1 1 0 -1 0 0 0 -1 -2 -2 0 -1 -2 -1 4 1 -3 -2 -2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0.00 0.00 + 15 G 0 -2 0 -1 -2 -2 -2 6 -2 -4 -4 -2 -3 -3 -2 0 -2 -2 -3 -3 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0.00 0.00 + 16 R -1 5 0 -2 -3 1 0 -2 0 -3 -2 2 -1 -3 -2 -1 -1 -3 -2 -2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0.00 0.00 + 17 P -1 -2 -2 -1 -3 -1 -1 -2 -2 -3 -3 -1 -2 -4 7 -1 -1 -4 -3 -2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0.00 0.00 + 18 P -1 -2 -2 -1 -3 -1 -1 -2 -2 -3 -3 -1 -2 -4 7 -1 -1 -4 -3 -2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0.00 0.00 + 19 P -1 -2 -2 -1 -3 -1 -1 -2 -2 -3 -3 -1 -2 -4 7 -1 -1 -4 -3 -2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0.00 0.00 + 20 S 1 -1 1 0 -1 0 0 0 -1 -2 -2 0 -1 -2 -1 4 1 -3 -2 -2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0.00 0.00 + + K Lambda +Standard Ungapped 0.1408 0.3104 +Standard Gapped 0.0410 0.2670 +PSI Ungapped 0.1437 0.3166 +PSI Gapped 0.0440 0.2670 diff --git a/examples/unres/CSA/GAB/CSA/global/restrained/jpred_prediction/jp_fSt_H_1.seq b/examples/unres/CSA/GAB/CSA/global/restrained/jpred_prediction/jp_fSt_H_1.seq new file mode 100644 index 0000000..a0be3f9 --- /dev/null +++ b/examples/unres/CSA/GAB/CSA/global/restrained/jpred_prediction/jp_fSt_H_1.seq @@ -0,0 +1,2 @@ +>jp_fSt_H_1 +NLYIQWLKDGGPSSGRPPPS diff --git a/examples/unres/CSA/GAB/CSA/global/restrained/jpred_prediction/jp_fSt_H_1.simple.html b/examples/unres/CSA/GAB/CSA/global/restrained/jpred_prediction/jp_fSt_H_1.simple.html new file mode 100644 index 0000000..a5fd760 --- /dev/null +++ b/examples/unres/CSA/GAB/CSA/global/restrained/jpred_prediction/jp_fSt_H_1.simple.html @@ -0,0 +1,20 @@ + + + +Simple JNet Output + +
NLYIQWLKDGGPSSGRPPPS
+--HHHHHH------------
+
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a/examples/unres/CSA/GAB/CSA/global/restrained/unres.csh b/examples/unres/CSA/GAB/CSA/global/restrained/unres.csh new file mode 100755 index 0000000..7c1f322 --- /dev/null +++ b/examples/unres/CSA/GAB/CSA/global/restrained/unres.csh @@ -0,0 +1,25 @@ +#!/bin/csh -f + +setenv FGPROCS 1 +setenv POT GB +setenv PREFIX 1l2y_csa +setenv OUT1FILE NO +#----------------------------------------------------------------------------- +setenv UNRES_BIN /users/bartek/UNRESPACK/unres/bin/unres/CSA/unres_csa_ifort_mpich-1.2.7p1.exe +#----------------------------------------------------------------------------- +setenv DD /users/bartek/UNRESPACK/unres/PARAM +setenv BONDPAR $DD/bond.parm +setenv THETPAR $DD/thetaml.5parm +setenv ROTPAR $DD/scgauss.parm +setenv TORPAR $DD/torsion_631Gdp.parm +setenv TORDPAR $DD/torsion_double_631Gdp.parm +setenv ELEPAR $DD/electr_631Gdp.parm +setenv SIDEPAR $DD/sc_GB_opt.1gab_3S_qclass5no310-shan2-sc-16-10-8k +setenv FOURIER $DD/fourier_opt.parm.1igd_hc_iter3_3 +setenv SCCORPAR $DD/rotcorr_AM1.parm +setenv SCPPAR $DD/scp.parm +setenv PATTERN $DD/patterns.cart +setenv PRINT_PARM NO +#----------------------------------------------------------------------------- + +$UNRES_BIN $* diff --git a/examples/unres/CSA/GAB/CSA/global/unrestrained/1l2y_csa.CSA.bank b/examples/unres/CSA/GAB/CSA/global/unrestrained/1l2y_csa.CSA.bank new file mode 100644 index 0000000..7faa206 --- /dev/null +++ b/examples/unres/CSA/GAB/CSA/global/unrestrained/1l2y_csa.CSA.bank @@ -0,0 +1,4202 @@ + jlee = 1 nbank = 200 nstep = 40600 12736259 2 353.74693 + nglob_csa = 46 eglob_csa = -9.25429E+01 + # 1 total E -8.81150E+01 rmsd from N 0.000 %NC 0.00 1 + 93.990 118.584 140.326 -7.307 + 91.447 79.488 147.399 -18.868 + 89.250 52.101 115.986 -64.212 + 89.454 42.823 166.971-160.578 + 89.375 48.178 133.527-105.287 + 89.322 58.803 120.573 29.222 + 89.262 58.460 142.194-136.251 + 88.646 47.455 116.823-126.356 + 91.012 170.968 137.578-112.669 + 95.592 99.745 0.000 0.000 + 130.936 -52.670 0.000 0.000 + 93.989 81.424 132.410-155.639 + 94.658 -58.171 118.772 -76.349 + 134.616-159.400 126.317 -80.337 + 116.750 174.153 0.000 0.000 + 131.456 -83.154 111.847-127.276 + 118.942-109.491 115.303-120.605 + 119.281-138.861 109.907-109.156 + 93.135 79.732 104.378-114.504 + 93.299 0.000 111.237 -78.065 + # 2 total E -8.67267E+01 rmsd from N 0.000 %NC 0.00 1 + 93.826 104.792 146.988 -19.144 + 93.135 126.135 140.527 -27.567 + 123.723 -90.073 90.173 -93.684 + 91.194 54.643 146.338-117.578 + 90.307 38.839 122.346 -96.930 + 90.864 63.979 119.179 -19.508 + 90.004 49.209 144.424 -56.551 + 89.892 79.206 83.959 -79.055 + 91.589 0.004 137.710-123.700 + 108.600 -88.987 0.000 0.000 + 116.395 -53.390 0.000 0.000 + 92.339 74.412 100.283 -95.978 + 93.112 143.227 113.018 -76.987 + 93.170 -74.286 124.754-139.596 + 94.396 52.975 0.000 0.000 + 131.643 -78.650 128.072-125.852 + 116.879-106.359 116.292-123.194 + 119.989-152.756 116.905-117.910 + 93.942 32.843 92.493 -98.618 + 93.458 0.000 114.090 -82.928 + # 3 total E -9.08499E+01 rmsd from N 0.000 %NC 0.00 1 + 93.857 122.312 148.545 -9.450 + 91.447 83.359 127.929 -32.555 + 91.864 44.212 92.850 -82.744 + 91.052 43.889 147.668 -99.646 + 90.003 42.858 119.542-113.378 + 90.967 52.580 164.372 10.804 + 90.463 46.072 131.717-166.475 + 91.611 74.437 108.090-102.993 + 90.419 -65.214 129.812-137.858 + 103.314 -66.291 0.000 0.000 + 98.761 -31.870 0.000 0.000 + 92.857 104.217 139.924-168.549 + 94.389 102.541 113.487 -77.138 + 122.736 -95.184 119.902 -77.610 + 94.723 81.064 0.000 0.000 + 130.876 -69.062 129.418 -94.972 + 118.974-107.764 109.607-113.858 + 118.418-139.267 110.478-111.527 + 117.211-118.166 127.230-136.658 + 121.767 0.000 121.486 -80.867 + # 4 total E -8.65042E+01 rmsd from N 0.000 %NC 0.00 1 + 118.428-106.794 152.114 -14.469 + 122.382 170.385 157.117 -10.511 + 92.460 75.536 141.704 88.121 + 90.578 43.539 150.217 -94.604 + 90.230 48.428 117.743 -67.271 + 91.412 48.732 133.010 41.830 + 90.895 39.526 137.836-125.943 + 92.340 59.516 130.951-132.106 + 92.555 -77.681 131.884-129.215 + 122.042 -63.536 0.000 0.000 + 130.483 -38.758 0.000 0.000 + 105.708 -30.484 91.554 -80.720 + 91.808 100.160 114.551 -75.927 + 92.775 10.821 105.654 -79.981 + 123.856 -11.381 0.000 0.000 + 116.976 -74.517 91.422 -59.109 + 115.774-108.128 118.183-121.748 + 119.086-140.941 131.557-140.705 + 92.995 71.190 98.857 -98.071 + 93.410 0.000 126.050-130.920 + # 5 total E -8.59012E+01 rmsd from N 0.000 %NC 0.00 1 + 93.932 110.439 142.804 -9.286 + 91.715 77.780 134.227 -21.411 + 91.890 44.767 99.879 -71.423 + 91.628 38.409 147.988-107.986 + 90.922 44.790 116.429-110.364 + 92.056 45.976 132.489 100.979 + 90.958 76.656 135.785-121.384 + 91.159 18.904 136.023-122.257 + 94.111-112.708 107.102 -79.232 + 93.623 149.374 0.000 0.000 + 140.389 -36.626 0.000 0.000 + 94.078 87.058 88.009 -85.406 + 128.861-114.237 125.172 -82.874 + 128.836 -83.459 122.056 -80.224 + 95.371 166.545 0.000 0.000 + 129.744 -83.473 130.101-124.926 + 118.608-109.641 119.001-126.397 + 120.700-137.121 108.403-106.069 + 93.582 73.662 124.993-145.411 + 93.314 0.000 111.270 -79.006 + # 6 total E -8.41265E+01 rmsd from N 0.000 %NC 0.00 1 + 93.724 96.090 150.832 -27.321 + 92.828 124.386 140.890 -44.174 + 130.287 -94.037 91.611 -98.538 + 92.257 53.660 148.853-109.656 + 91.334 38.215 113.941 -82.030 + 92.370 50.164 155.271 95.129 + 90.971 43.812 139.950-108.147 + 91.978 68.744 140.094-134.528 + 92.657-117.310 139.127-133.677 + 135.826 -69.534 0.000 0.000 + 92.521 49.373 0.000 0.000 + 89.508 49.371 98.578-100.079 + 88.453 59.496 108.564 -76.458 + 91.137 37.770 116.071 -76.656 + 94.401 70.368 0.000 0.000 + 112.305 -58.797 131.589-111.779 + 118.376-106.622 117.876-125.665 + 120.029-140.656 112.646-112.922 + 93.105 54.997 93.909-102.059 + 93.359 0.000 111.800 -80.950 + # 7 total E -8.52861E+01 rmsd from N 0.000 %NC 0.00 1 + 93.707 46.555 109.267 -80.906 + 92.879 168.664 142.601 -25.672 + 91.119 85.177 131.719 -95.468 + 89.602 52.764 146.624-101.648 + 89.285 45.899 109.099 -74.668 + 90.110 54.687 125.904 42.568 + 90.307 39.701 134.877-155.270 + 92.268 63.058 128.723-135.762 + 91.899 -66.383 139.893-124.016 + 115.292 -57.637 0.000 0.000 + 117.459 -55.311 0.000 0.000 + 110.430 164.422 130.941-142.699 + 93.424 72.491 114.598 -77.877 + 93.816 -99.227 110.725 -77.446 + 93.906 148.111 0.000 0.000 + 130.652-111.314 126.208 -70.281 + 117.925-110.280 119.362-126.708 + 120.188-142.334 116.014-116.337 + 93.409 67.219 103.319 -95.018 + 93.321 0.000 112.907 -78.443 + # 8 total E -8.92623E+01 rmsd from N 0.000 %NC 0.00 1 + 93.952 125.444 144.327 -3.866 + 91.304 86.281 127.537 -23.910 + 91.553 44.715 123.659 89.875 + 90.894 43.749 150.495 -94.584 + 90.639 45.223 118.407-120.101 + 91.937 50.447 134.948 32.353 + 90.851 37.650 141.074 -90.929 + 92.295 60.561 131.004-133.228 + 92.822 -75.844 129.379-134.452 + 126.296 -67.647 0.000 0.000 + 136.127 -32.305 0.000 0.000 + 109.063 -30.724 91.807 -81.320 + 90.635 93.773 129.778 141.142 + 91.586 2.122 103.728 -80.081 + 118.857 -12.339 0.000 0.000 + 129.510 -73.276 127.423 -59.160 + 121.190-147.800 110.218-110.301 + 121.373-108.804 112.773-113.211 + 118.296-118.579 116.846-120.919 + 121.884 0.000 121.496 -81.088 + # 9 total E -8.39389E+01 rmsd from N 0.000 %NC 0.00 1 + 93.711 46.092 108.921 -80.657 + 93.139 168.374 139.385 -37.084 + 105.938 170.994 116.181 -75.527 + 91.797 61.518 140.587-106.775 + 90.064 43.113 114.813-108.066 + 91.752 53.535 132.991 34.884 + 90.671 37.185 144.854-119.617 + 92.304 63.011 129.981-134.205 + 91.960 -72.153 130.485-131.621 + 119.384 -66.571 0.000 0.000 + 130.960 -41.850 0.000 0.000 + 106.175 -28.903 92.475 -83.908 + 91.470 97.554 130.149 135.334 + 91.780 5.977 106.718 -79.293 + 119.572 -12.186 0.000 0.000 + 128.212 -77.123 100.271 -58.050 + 116.744-106.447 119.043-123.478 + 118.135-115.438 141.533-154.397 + 118.398-118.579 116.663-121.276 + 121.887 0.000 121.492 -81.096 + # 10 total E -8.41036E+01 rmsd from N 0.000 %NC 0.00 1 + 93.788 52.862 146.966 -26.610 + 92.888 170.368 140.973 -22.873 + 91.569 84.978 132.859 109.571 + 88.007 49.057 147.128 -93.165 + 88.590 51.527 84.848 -66.453 + 89.061 47.227 159.797 103.262 + 90.010 62.773 142.246 -98.528 + 90.256 31.941 135.058-131.795 + 92.845-115.848 106.586 -79.756 + 94.435 149.839 0.000 0.000 + 132.921 -52.010 0.000 0.000 + 92.201 66.163 96.882 -97.485 + 91.320 97.185 107.810 -76.727 + 92.544 40.840 115.779 -81.473 + 95.663 80.774 0.000 0.000 + 122.019 -89.066 84.051 -64.410 + 118.516-109.710 120.131-126.347 + 118.662-138.240 112.223-112.437 + 93.112 81.195 103.492-103.496 + 93.296 0.000 110.570 -78.366 + # 11 total E -8.37064E+01 rmsd from N 0.000 %NC 0.00 1 + 118.290-161.337 146.504 -15.550 + 117.578-108.173 144.812 -35.218 + 91.326 58.748 134.008 113.471 + 90.163 45.113 142.087 -95.092 + 89.483 44.365 118.161 -90.607 + 90.314 57.180 149.147 7.729 + 90.350 41.765 137.257 164.479 + 91.775 69.763 100.860-103.098 + 92.344 -85.962 135.794-117.650 + 94.350 166.995 0.000 0.000 + 150.614 -39.605 0.000 0.000 + 89.702 52.560 131.605-161.232 + 90.120 49.493 109.679 -79.640 + 93.605-106.868 110.214 -78.529 + 96.585 142.254 0.000 0.000 + 124.046 -82.831 132.523 -56.934 + 118.046-109.974 118.708-125.697 + 118.910-140.324 109.727-110.159 + 93.221 71.451 102.522-103.323 + 93.314 0.000 112.272 -78.417 + # 12 total E -8.49507E+01 rmsd from N 0.000 %NC 0.00 1 + 93.895 123.668 145.574 -14.488 + 112.209 178.104 149.267 -19.621 + 123.036 -82.256 122.837-126.809 + 90.614 65.598 147.079 -95.027 + 89.652 41.487 98.754 -83.886 + 89.836 60.689 124.760-128.590 + 89.973 46.077 141.602 -46.354 + 91.706 97.515 131.373-139.123 + 91.686 -12.586 145.182-113.300 + 103.758 -72.133 0.000 0.000 + 99.376 -18.023 0.000 0.000 + 93.528 95.682 99.353 -96.000 + 117.974 132.123 121.383 -79.571 + 94.836 -78.979 111.953 -79.344 + 93.958 65.732 0.000 0.000 + 133.094 -78.025 133.936-117.904 + 119.814-107.799 114.041-119.052 + 119.215-139.303 117.325-118.453 + 93.179 78.574 102.529-111.031 + 93.303 0.000 111.143 -78.372 + # 13 total E -8.61962E+01 rmsd from N 0.000 %NC 0.00 1 + 93.874 120.821 147.156 -10.236 + 91.299 84.402 124.145 -17.509 + 90.909 48.166 94.047 -89.577 + 90.378 42.993 150.530 -96.450 + 90.245 45.374 116.856-125.734 + 90.941 51.919 128.555 54.552 + 89.945 52.198 132.345-150.179 + 90.155 42.557 134.067-135.109 + 92.070 168.023 141.057-123.531 + 96.424 102.166 0.000 0.000 + 137.342 -73.878 0.000 0.000 + 123.841 -69.503 107.567-103.615 + 89.992 82.396 124.036 157.194 + 92.262 16.941 111.396 -78.839 + 114.558 -27.351 0.000 0.000 + 126.891 -82.665 153.950 -29.277 + 119.419-113.260 109.547-111.270 + 116.476-140.159 130.824-141.262 + 114.633-117.619 141.823-155.715 + 121.561 0.000 121.392 -80.514 + # 14 total E -8.52436E+01 rmsd from N 0.000 %NC 0.00 1 + 93.883 122.050 146.930 -9.714 + 91.321 87.283 128.797 -15.102 + 90.790 47.492 95.638 -88.502 + 89.923 44.077 147.152 -95.649 + 90.435 43.596 122.415-126.954 + 91.312 44.758 126.769 81.408 + 90.694 48.305 129.499-153.869 + 90.623 57.157 141.260-133.356 + 90.961-156.897 143.160-147.317 + 95.044 100.573 0.000 0.000 + 93.496 44.007 0.000 0.000 + 90.080 47.214 101.727 -65.158 + 90.334 93.359 134.296-117.684 + 94.558 -45.288 114.273 -80.404 + 97.360 90.337 0.000 0.000 + 127.981 -82.262 124.882-123.972 + 119.686-109.495 122.237-131.321 + 113.511-116.064 97.529 -85.226 + 92.853 69.967 102.152-107.744 + 93.411 0.000 123.667-133.604 + # 15 total E -8.51081E+01 rmsd from N 0.000 %NC 0.00 1 + 93.959 109.532 139.719 -15.705 + 93.194 102.217 146.898 -28.249 + 125.593-111.237 95.667 -96.037 + 92.779 61.075 146.810-116.795 + 90.788 32.217 108.131 -39.468 + 91.719 57.909 149.443 105.126 + 90.797 70.613 153.900-171.075 + 89.344 89.778 125.294-118.928 + 92.392 -44.745 106.981 -95.044 + 97.569 83.923 0.000 0.000 + 133.198 -56.072 0.000 0.000 + 134.042 166.838 99.544 -86.068 + 129.414 161.049 121.452 -80.654 + 118.396 -80.302 113.013 -79.220 + 94.470 61.178 0.000 0.000 + 124.669 -78.877 84.317 -66.290 + 116.276-110.084 118.558-125.414 + 120.845-141.437 110.585-109.005 + 92.586 96.550 103.073-110.540 + 93.342 0.000 111.377-110.157 + # 16 total E -8.64422E+01 rmsd from N 0.000 %NC 0.00 1 + 93.857 102.597 146.716 -11.570 + 91.514 76.925 142.818 -32.151 + 91.716 43.960 167.472 14.798 + 90.699 48.451 138.747 -80.886 + 89.842 43.372 115.481-127.593 + 89.927 53.804 121.638 -72.050 + 89.715 53.754 146.798 175.612 + 90.159 68.109 135.148-133.759 + 91.755-149.096 140.207-127.626 + 95.481 74.219 0.000 0.000 + 92.749 45.421 0.000 0.000 + 89.940 58.147 83.973 -89.577 + 90.399 156.129 113.685 -76.057 + 92.348 -62.502 117.298-161.159 + 94.989 64.761 0.000 0.000 + 132.839 -98.723 66.683 -80.440 + 120.659-160.263 111.171-113.561 + 116.463-169.199 114.799-118.079 + 93.807 35.473 101.188 -96.405 + 93.379 0.000 116.051 -78.691 + # 17 total E -8.59539E+01 rmsd from N 0.000 %NC 0.00 1 + 93.820 104.433 146.539 -22.230 + 93.178 114.369 143.882 -27.965 + 128.961 -98.599 92.548 -95.293 + 91.430 62.844 145.211-110.755 + 89.986 40.947 117.934 -99.447 + 90.059 61.569 127.344 37.158 + 89.585 42.015 142.583-161.067 + 91.335 65.440 128.133-138.078 + 91.140 -63.655 142.067-136.611 + 113.556-174.360 0.000 0.000 + 92.942 49.676 0.000 0.000 + 89.416 55.459 96.975 -97.350 + 88.861 37.180 112.091 -80.002 + 93.893-131.376 108.557 -73.385 + 94.339 152.302 0.000 0.000 + 134.378-107.166 145.199 -76.307 + 119.005-110.472 114.401-120.098 + 121.673-162.868 115.199-115.147 + 93.850 50.256 98.597 -99.695 + 93.409 0.000 130.714-136.207 + # 18 total E -8.45210E+01 rmsd from N 0.000 %NC 0.00 1 + 93.953 127.191 144.969 -1.089 + 91.167 86.647 130.454 -2.872 + 89.814 51.649 100.272 -86.348 + 90.195 44.262 159.196 -98.332 + 90.282 42.493 127.898-133.920 + 92.095 55.901 126.800 92.808 + 91.791 176.571 137.226-138.467 + 93.399 100.005 129.314-115.182 + 120.345-113.776 110.476 -81.914 + 95.981 77.603 0.000 0.000 + 93.519 45.885 0.000 0.000 + 90.425 60.157 88.620 -86.690 + 90.373 139.876 113.694 -77.491 + 91.776 -72.920 115.687-150.684 + 94.486 52.111 0.000 0.000 + 129.378 -97.473 110.923 -52.863 + 117.196-111.000 116.391-121.205 + 117.284-119.430 116.366-116.842 + 93.277 86.087 132.259-155.901 + 93.206 0.000 107.610 -76.511 + # 19 total E -8.61206E+01 rmsd from N 0.000 %NC 0.00 1 + 93.898 123.071 146.459 -8.052 + 91.257 86.247 126.609 -15.821 + 90.816 47.288 97.119 -90.113 + 89.868 44.624 150.273 -97.572 + 90.350 45.515 122.731-125.381 + 91.480 46.071 124.856 68.781 + 91.064 43.687 127.436-144.731 + 91.771 48.766 137.212-133.376 + 93.023-142.626 136.256-127.949 + 128.925 -71.833 0.000 0.000 + 107.791 -17.034 0.000 0.000 + 91.825 87.093 100.956 -96.613 + 91.338 14.445 109.293 -77.127 + 95.538-125.737 106.249 -76.511 + 94.776 146.046 0.000 0.000 + 126.530 -82.524 154.949 -18.589 + 117.771-108.928 112.437-116.521 + 119.258-139.831 111.768-112.072 + 116.714-118.093 130.733-141.216 + 121.730 0.000 121.490 -80.782 + # 20 total E -8.63547E+01 rmsd from N 0.000 %NC 0.00 1 + 117.661-172.276 145.473 -17.583 + 117.422-109.496 147.783 -37.913 + 91.420 54.836 131.249 95.347 + 90.722 41.093 146.410 -93.652 + 90.675 48.516 123.271-123.577 + 91.523 47.830 135.391 34.031 + 91.011 39.280 141.615-113.785 + 92.487 58.276 130.747-131.573 + 93.095 -76.040 134.179-137.607 + 126.707 -66.732 0.000 0.000 + 136.309 -31.927 0.000 0.000 + 107.805 -31.703 91.131 -79.308 + 91.158 95.913 114.031 -75.218 + 92.697 7.197 103.021 -80.950 + 123.434 -10.079 0.000 0.000 + 122.001 -67.929 115.460 -61.290 + 118.810-138.300 108.440-108.331 + 126.303-169.905 120.350-121.900 + 93.332 56.964 93.798 -94.616 + 93.341 0.000 112.040 -80.041 + # 21 total E -8.59369E+01 rmsd from N 0.000 %NC 0.00 1 + 93.848 109.625 147.243 -13.346 + 91.654 82.672 132.367 -21.970 + 93.047 37.996 174.353 177.918 + 90.948 52.415 131.914 -82.427 + 89.603 47.506 117.017-130.821 + 89.436 54.674 111.613 -56.948 + 89.868 42.952 154.044-173.639 + 92.704 69.222 129.596-135.205 + 91.791 -58.793 151.529-130.368 + 109.995 -68.968 0.000 0.000 + 102.409 -26.438 0.000 0.000 + 93.132 104.760 135.531-161.843 + 94.002 78.711 113.220 -77.149 + 94.285 -89.174 110.519 -76.410 + 93.200 163.412 0.000 0.000 + 141.506 -92.841 72.488 -68.762 + 114.435-103.235 117.713-129.123 + 120.513-141.428 106.870-103.901 + 116.737-118.907 131.172-143.857 + 121.820 0.000 121.697 -80.854 + # 22 total E -8.68956E+01 rmsd from N 0.000 %NC 0.00 1 + 93.979 115.212 140.619 -8.075 + 91.572 78.292 143.327 -17.987 + 89.764 52.198 112.994 -68.621 + 89.868 38.660 163.550-148.364 + 89.506 49.015 114.211 -22.560 + 89.399 53.284 137.279 89.834 + 89.958 56.059 139.749-121.695 + 91.091 65.921 130.449-135.485 + 92.653 -99.175 147.334-157.131 + 142.007 -76.252 0.000 0.000 + 93.668 44.200 0.000 0.000 + 91.992 55.713 97.251 -96.767 + 93.025 -60.356 112.255 -72.986 + 129.702-158.464 124.373 -81.182 + 119.374 164.538 0.000 0.000 + 127.014 -83.118 116.382-128.382 + 118.642-110.413 114.745-119.950 + 119.364-139.567 110.879-110.475 + 93.164 76.853 104.021-113.698 + 93.304 0.000 111.645 -78.204 + # 23 total E -8.66679E+01 rmsd from N 0.000 %NC 0.00 1 + 93.971 121.646 142.995 -8.512 + 91.591 89.447 139.002 -15.870 + 91.192 44.779 140.001 112.131 + 90.529 46.423 144.078 -93.172 + 89.748 47.941 122.980-128.489 + 89.976 42.962 151.719 -27.151 + 90.405 54.839 136.223-150.218 + 90.726 43.143 125.385-103.749 + 91.234-116.725 101.957 -81.557 + 93.848 153.226 0.000 0.000 + 92.910 46.664 0.000 0.000 + 89.702 48.391 125.633-148.767 + 90.738 53.979 111.923 -76.833 + 93.177-113.394 111.737 -76.793 + 95.061 154.472 0.000 0.000 + 126.044 -84.231 136.627 -61.123 + 117.399-111.561 115.310-121.696 + 118.946-162.011 111.512-112.694 + 93.293 72.257 101.314-106.832 + 93.416 0.000 124.566-136.341 + # 24 total E -9.07614E+01 rmsd from N 0.000 %NC 0.00 1 + 93.954 125.226 144.117 -4.171 + 91.301 86.551 128.224 -22.545 + 91.425 44.851 126.145 93.962 + 90.397 45.103 149.883 -93.022 + 90.336 45.461 117.915-125.861 + 91.588 49.328 134.193 29.824 + 90.985 38.452 142.868-108.960 + 92.506 59.038 132.639-132.987 + 92.889 -71.960 135.325-141.960 + 126.946 -68.369 0.000 0.000 + 136.328 -32.214 0.000 0.000 + 107.422 -31.464 90.962 -80.483 + 91.370 96.173 112.965 -74.544 + 92.311 9.814 104.566 -80.295 + 124.422 -8.787 0.000 0.000 + 127.393 -66.660 117.710 -65.682 + 109.608-164.060 95.932 -90.230 + 129.298-142.739 111.611-109.082 + 92.417 85.253 95.798 -99.108 + 93.306 0.000 107.012 -81.019 + # 25 total E -8.76398E+01 rmsd from N 0.000 %NC 0.00 1 + 93.796 113.543 147.996 -23.951 + 114.224 173.463 143.452 -32.067 + 119.432 165.476 103.125 -76.377 + 91.030 54.170 132.973-112.628 + 89.723 48.840 89.127 -69.534 + 90.336 68.341 154.736 -93.286 + 90.302 49.575 144.679 -48.297 + 91.407 99.289 107.656-123.032 + 91.651 -26.784 144.221-125.422 + 102.074 -72.110 0.000 0.000 + 98.697 -23.154 0.000 0.000 + 93.613 104.815 133.774-157.428 + 93.874 111.698 118.455 -75.336 + 125.521 -99.197 117.118 -88.846 + 96.154 63.126 0.000 0.000 + 129.990 -78.036 151.785 -14.287 + 115.115-112.324 91.363 -88.129 + 117.898-145.786 117.673-120.859 + 93.529 65.175 128.875-152.569 + 93.335 0.000 111.119 -80.300 + # 26 total E -8.64394E+01 rmsd from N 0.000 %NC 0.00 1 + 93.813 77.555 147.303 -20.785 + 91.893 82.737 152.028-138.335 + 90.234 85.262 128.963 -40.604 + 89.501 61.229 136.409-101.428 + 89.638 43.901 98.370 -99.837 + 90.415 60.153 146.523 35.995 + 90.134 61.053 138.122 -51.356 + 90.561 106.686 130.283-141.555 + 91.166 -21.269 144.934 -47.496 + 100.268 -73.700 0.000 0.000 + 99.253 -21.311 0.000 0.000 + 93.218 102.143 133.423-156.326 + 93.847 120.410 119.112 -75.154 + 121.598 -95.001 117.213 -87.529 + 95.544 52.727 0.000 0.000 + 129.973 -81.432 93.752 -79.127 + 118.345-114.254 112.755-117.103 + 122.434-144.749 114.740-114.370 + 92.528 77.221 100.732 -97.401 + 93.325 0.000 108.834 -80.935 + # 27 total E -8.43986E+01 rmsd from N 0.000 %NC 0.00 1 + 94.008 120.465 140.440 10.548 + 92.140 154.481 144.746 -31.568 + 91.793 99.781 140.938-107.331 + 90.872 50.122 130.488 -83.416 + 88.866 48.803 134.382-140.749 + 88.351 56.724 91.246-144.787 + 89.050 59.420 147.303 -33.884 + 88.754 33.340 130.252-140.624 + 91.562-118.445 102.855 -76.968 + 94.991 128.097 0.000 0.000 + 95.150 40.680 0.000 0.000 + 91.077 66.852 108.677-104.516 + 89.307 108.432 121.349-126.386 + 92.648 -56.896 109.597-136.709 + 96.207 89.211 0.000 0.000 + 134.051 -84.495 114.798 -61.579 + 126.013-162.289 113.343-112.700 + 120.349-129.432 125.601-129.550 + 93.803 55.021 92.068 -89.026 + 93.364 0.000 113.405 -79.896 + # 28 total E -8.61493E+01 rmsd from N 0.000 %NC 0.00 1 + 93.706 90.844 151.163 -29.594 + 92.962 125.351 144.622 -34.058 + 125.737-100.584 93.117-100.918 + 91.668 60.926 144.607-104.366 + 89.960 43.183 113.931 -60.615 + 90.272 50.931 116.827 -42.034 + 90.372 51.681 149.148-132.850 + 90.748 44.333 87.718 -65.817 + 92.549-113.475 107.817 -81.600 + 94.592 157.723 0.000 0.000 + 128.206 -41.079 0.000 0.000 + 113.070-172.235 125.341-134.265 + 94.765 176.103 134.691 162.591 + 127.323 -49.846 125.052-156.499 + 96.332 87.500 0.000 0.000 + 126.598 -86.962 99.814-107.899 + 119.926-110.740 114.954-119.975 + 117.079-148.067 114.688-117.168 + 93.707 61.946 94.501 -97.451 + 93.408 0.000 128.609-134.008 + # 29 total E -8.57427E+01 rmsd from N 0.000 %NC 0.00 1 + 93.935 124.681 144.506 -10.110 + 109.881 171.332 143.261 -29.604 + 118.124 167.671 102.137 -74.412 + 90.735 67.204 129.329-113.339 + 89.890 56.656 123.032-126.095 + 89.776 62.046 117.064 4.121 + 90.391 28.430 148.340-134.407 + 93.140 68.876 132.207-135.024 + 92.874 -39.553 137.010-115.338 + 126.315 -87.254 0.000 0.000 + 142.399 -28.355 0.000 0.000 + 107.439 -23.798 95.345 -88.007 + 91.668 96.596 121.895 152.159 + 91.553 0.621 106.035 -78.005 + 115.036 -17.096 0.000 0.000 + 131.499 -74.202 139.985 -71.357 + 119.462-117.746 108.701-109.607 + 119.795-165.534 125.091-131.017 + 93.439 58.070 103.735 -97.921 + 93.340 0.000 112.883 -79.222 + # 30 total E -8.62317E+01 rmsd from N 0.000 %NC 0.00 1 + 93.880 115.627 146.040 -11.383 + 91.511 81.220 135.017 -26.610 + 91.670 41.766 130.617 111.411 + 90.653 45.837 144.373 -90.546 + 89.913 43.106 118.160-123.590 + 90.655 54.852 124.272 27.014 + 90.392 36.677 148.030-174.179 + 92.013 62.162 128.613-131.629 + 92.467 -56.715 131.868-126.843 + 125.513 -53.187 0.000 0.000 + 121.100 -16.521 0.000 0.000 + 112.435-149.437 90.253 -70.281 + 92.440 99.553 138.876 -50.595 + 94.059 26.162 113.688 -76.537 + 96.412 61.862 0.000 0.000 + 121.755 -83.589 108.576 -53.057 + 115.056-105.666 123.163-132.293 + 118.820-144.186 108.468-107.002 + 93.266 47.931 102.081-114.953 + 93.372 0.000 113.626 -80.224 + # 31 total E -8.37314E+01 rmsd from N 0.000 %NC 0.00 1 + 93.846 108.752 147.798 -11.677 + 91.501 76.992 138.489 -41.269 + 92.748 40.151 176.461-174.611 + 92.270 57.746 139.656 -88.455 + 91.162 34.564 119.154-133.059 + 91.954 60.157 107.972 -80.653 + 90.339 49.288 143.858-173.076 + 91.315 75.931 134.754-129.485 + 91.475 -78.349 104.775 -73.670 + 95.736 168.567 0.000 0.000 + 137.459 -60.004 0.000 0.000 + 131.202 159.640 102.172 -92.917 + 93.714 97.544 114.774 -76.513 + 94.749 -17.350 114.331 -77.384 + 127.949 -31.111 0.000 0.000 + 125.151 -83.731 104.898 -54.993 + 116.557-107.382 116.980-121.984 + 117.514-142.774 110.847-112.668 + 93.549 82.194 106.390-106.906 + 93.289 0.000 112.647 -76.536 + # 32 total E -8.62107E+01 rmsd from N 0.000 %NC 0.00 1 + 93.998 125.263 141.615 -3.521 + 91.458 91.404 135.707 -13.205 + 90.130 50.606 129.866 108.321 + 89.714 42.637 149.129 -94.492 + 89.729 49.829 123.954-132.365 + 90.409 45.971 125.297 18.975 + 90.390 51.686 136.521-127.512 + 90.753 44.010 136.332-134.197 + 92.403-159.045 113.041 -85.097 + 95.141 70.430 0.000 0.000 + 121.029 -72.548 0.000 0.000 + 115.646 144.526 129.784-139.671 + 94.144 74.966 108.783 -76.737 + 138.928-113.050 123.718 -86.121 + 94.676 73.078 0.000 0.000 + 125.796 -70.065 116.014-107.112 + 116.706-107.681 118.830-127.521 + 121.431-145.495 108.273-105.902 + 92.519 57.802 102.778-114.190 + 93.362 0.000 108.440 -83.496 + # 33 total E -8.62294E+01 rmsd from N 0.000 %NC 0.00 1 + 93.951 124.326 143.876 -5.723 + 91.476 89.515 132.076 -19.674 + 91.771 46.747 128.668 84.715 + 89.692 45.361 145.253 -94.798 + 89.726 53.684 119.709-127.543 + 90.179 59.903 116.992 22.694 + 89.896 34.096 147.295-134.438 + 92.897 75.791 130.986-134.761 + 92.868 -49.944 141.605-126.928 + 119.740 -72.082 0.000 0.000 + 120.747 -69.240 0.000 0.000 + 93.276 58.860 135.567-164.830 + 95.241 57.804 112.634 -75.820 + 95.282 -10.137 143.295 -57.500 + 139.692 -21.560 0.000 0.000 + 133.179 -69.416 129.550 -67.587 + 118.887-107.244 117.933-124.203 + 123.308-146.806 106.799-104.258 + 92.839 65.222 97.600-104.090 + 93.342 0.000 109.510 -81.722 + # 34 total E -8.53515E+01 rmsd from N 0.000 %NC 0.00 1 + 119.864-104.474 104.477 -73.602 + 113.912-110.774 142.341 -35.519 + 91.406 61.594 128.343 111.029 + 90.138 43.542 146.977 -95.678 + 90.136 47.469 120.643-113.835 + 90.872 47.143 137.754 26.129 + 90.617 45.104 136.385-141.886 + 91.678 66.723 134.501-133.275 + 91.635 -79.588 132.127-131.354 + 122.149 -89.802 0.000 0.000 + 119.321 -38.396 0.000 0.000 + 92.858 73.126 135.350-161.639 + 92.960 92.184 112.144 -76.367 + 129.123-105.083 118.648 -85.363 + 94.896 77.359 0.000 0.000 + 130.771 -62.545 146.403 -58.342 + 117.580-106.495 108.457-111.913 + 121.627-144.872 115.155-114.924 + 93.117 63.099 102.245-114.124 + 93.341 0.000 111.581 -80.103 + # 35 total E -8.62363E+01 rmsd from N 0.000 %NC 0.00 1 + 93.857 91.617 145.834 -15.505 + 91.835 89.636 136.525 -18.213 + 90.375 50.003 106.996 -76.269 + 90.395 39.273 168.848-137.608 + 90.202 46.285 128.938-112.560 + 91.096 45.836 136.090 84.443 + 90.943 45.446 133.233-111.193 + 91.462 47.504 139.630-142.504 + 93.210-169.678 146.769 -21.043 + 93.984 135.587 0.000 0.000 + 130.730 -37.289 0.000 0.000 + 93.654 84.035 98.879-100.476 + 126.051-107.370 121.072 -77.053 + 128.355 -85.614 121.689 -80.185 + 119.731-173.408 0.000 0.000 + 129.115 -84.386 113.721-125.380 + 119.552-109.125 116.859-122.445 + 118.892-137.968 110.583-110.105 + 93.185 83.247 105.807-114.856 + 93.285 0.000 111.023 -77.438 + # 36 total E -8.82155E+01 rmsd from N 0.000 %NC 0.00 1 + 93.893 121.676 146.288 -9.589 + 91.312 86.598 128.216 -13.784 + 90.560 49.253 95.647 -90.393 + 89.743 44.143 150.273 -96.920 + 89.909 46.458 121.446-127.631 + 90.813 50.178 124.503 48.542 + 90.034 46.027 127.721-154.448 + 90.872 57.152 133.311-135.710 + 92.002 170.640 140.869-122.160 + 95.418 103.463 0.000 0.000 + 125.937 -51.261 0.000 0.000 + 110.438 173.432 132.091-145.769 + 121.561 177.417 119.051 -80.685 + 94.646 30.656 115.909 -76.364 + 96.371 70.306 0.000 0.000 + 123.068 -79.000 146.904 -94.639 + 118.529-111.540 108.932-111.227 + 118.358-143.350 115.929-118.114 + 93.529 74.585 133.452-159.000 + 93.305 0.000 113.149 -77.299 + # 37 total E -8.66981E+01 rmsd from N 0.000 %NC 0.00 1 + 93.762 106.272 150.735 -20.794 + 93.104 126.658 139.362 -30.883 + 124.821 -95.707 93.202 -94.342 + 91.393 55.713 144.424-109.867 + 89.938 42.645 121.311 -83.615 + 90.247 55.016 118.065 -28.598 + 89.921 47.928 154.308-118.267 + 90.904 60.084 83.225 -67.556 + 91.959-109.207 113.052 -80.344 + 95.748 157.073 0.000 0.000 + 130.541 -67.859 0.000 0.000 + 110.833 148.652 129.778-142.457 + 92.930 103.813 138.113-168.915 + 94.585 29.570 114.119 -77.825 + 97.034 66.848 0.000 0.000 + 128.851-105.962 140.669-122.501 + 118.159-109.059 117.121-123.954 + 117.239-148.458 112.145-113.422 + 93.819 51.041 100.676-105.681 + 93.416 0.000 128.399-144.273 + # 38 total E -8.72171E+01 rmsd from N 0.000 %NC 0.00 1 + 94.001 128.321 142.765 1.864 + 91.339 90.290 135.081 -14.242 + 89.891 51.176 104.040 -79.096 + 90.058 41.196 155.301-101.821 + 90.407 41.846 126.083-124.781 + 91.305 49.386 130.567 96.934 + 90.586 69.539 139.256-130.863 + 89.893 92.457 131.044-116.233 + 92.140 -45.284 106.095 -87.565 + 97.079 82.069 0.000 0.000 + 132.766 -59.275 0.000 0.000 + 136.704 162.199 96.428 -80.276 + 126.181 173.873 122.917 -78.649 + 118.816 -74.655 117.382 -79.601 + 95.265 59.563 0.000 0.000 + 125.529 -81.953 148.139 -39.824 + 120.845-166.554 112.058-115.094 + 120.321-162.305 115.985-114.458 + 93.321 98.289 103.719-104.096 + 93.293 0.000 109.473 -77.457 + # 39 total E -8.37159E+01 rmsd from N 0.000 %NC 0.00 1 + 93.889 119.345 146.036 -10.398 + 91.562 82.840 137.222 -27.813 + 91.527 46.293 132.570 113.911 + 91.177 42.403 149.137 -97.664 + 90.322 47.951 119.174-114.579 + 91.132 42.705 157.213 -6.798 + 90.782 61.309 134.812-118.834 + 90.782 35.044 124.075-105.839 + 92.762-120.772 94.759 -82.736 + 93.131 152.612 0.000 0.000 + 93.069 53.275 0.000 0.000 + 89.272 43.271 108.834-118.694 + 91.253 54.797 108.573 -78.240 + 95.358 -49.305 117.554 -76.372 + 137.263 -16.168 0.000 0.000 + 134.009 -83.461 92.437 -63.142 + 117.640-109.296 117.102-123.623 + 121.219-137.618 107.313-103.825 + 92.452 91.292 104.162-112.646 + 93.246 0.000 107.611 -77.647 + # 40 total E -9.03375E+01 rmsd from N 0.000 %NC 0.00 1 + 115.829 -50.889 110.339 -82.046 + 91.789 80.805 132.645 -28.639 + 91.977 42.237 99.992 -82.546 + 91.072 43.930 147.085 -94.071 + 90.179 42.542 117.753-118.615 + 90.776 49.703 163.238 36.050 + 90.607 46.296 133.272-167.349 + 92.044 75.509 136.221-130.407 + 90.252 -65.111 132.343-135.801 + 102.209 -65.611 0.000 0.000 + 97.978 -33.380 0.000 0.000 + 92.855 104.739 140.375-169.682 + 94.441 103.959 113.281 -77.217 + 121.991 -96.530 118.692 -77.573 + 94.678 79.454 0.000 0.000 + 130.376 -69.142 126.610 -88.898 + 118.887-109.939 107.334-110.730 + 118.109-160.511 112.245-114.143 + 93.732 57.949 103.340-113.714 + 93.417 0.000 125.573-142.713 + # 41 total E -8.73809E+01 rmsd from N 0.000 %NC 0.00 1 + 93.898 120.518 145.604 -10.702 + 91.523 88.209 132.106 -16.465 + 90.440 49.166 91.885 -84.250 + 89.886 43.007 148.211 -97.039 + 90.395 44.911 121.351-127.179 + 91.089 47.117 150.137 40.606 + 90.726 43.827 131.356-145.875 + 92.164 70.690 136.126-134.791 + 90.853 -67.216 137.666-114.958 + 111.042 -62.759 0.000 0.000 + 116.300 -60.789 0.000 0.000 + 92.710 66.430 135.045-161.942 + 93.066 96.022 113.387 -76.399 + 93.587 -36.997 111.018 -80.866 + 114.997 -24.401 0.000 0.000 + 125.841 -84.773 79.669 -67.252 + 117.080-111.192 118.051-124.334 + 120.614-107.357 114.539-111.383 + 92.932 79.797 92.291-103.345 + 93.237 0.000 106.924 -78.667 + # 42 total E -8.56434E+01 rmsd from N 0.000 %NC 0.00 1 + 93.705 33.886 108.026 -81.090 + 92.849 163.363 140.949 -19.080 + 91.497 80.745 142.207 95.533 + 90.944 40.553 150.689 -96.526 + 90.007 49.516 127.359 -60.563 + 90.996 51.978 129.011 35.504 + 90.405 40.867 138.949-134.641 + 91.923 61.511 127.710-132.786 + 92.111 -70.951 131.837-132.793 + 118.705 -60.816 0.000 0.000 + 129.077 -44.932 0.000 0.000 + 104.792 -31.169 93.431 -86.838 + 91.624 99.180 122.340 142.828 + 92.361 9.589 107.933 -79.652 + 118.326 -7.429 0.000 0.000 + 129.293 -76.653 96.448 -56.950 + 117.197-105.071 124.519-131.343 + 119.437-111.191 109.365-109.132 + 117.966-118.961 115.747-121.489 + 121.952 0.000 121.546 -81.211 + # 43 total E -8.68702E+01 rmsd from N 0.000 %NC 0.00 1 + 93.879 121.836 147.046 -10.353 + 91.278 90.015 128.837 -9.684 + 90.698 48.248 97.358 -90.005 + 88.335 49.039 142.643 -95.840 + 88.797 57.443 125.954-141.500 + 89.102 49.789 116.187 51.825 + 90.094 45.338 140.471 -89.840 + 91.753 64.526 127.847-137.028 + 93.072-165.064 142.578-141.636 + 138.051 -55.339 0.000 0.000 + 94.017 48.135 0.000 0.000 + 92.086 52.925 96.011 -96.038 + 93.624 -61.935 109.494 -77.090 + 122.818-100.826 118.557 -79.664 + 115.969 170.362 0.000 0.000 + 129.792-104.609 114.996 -49.470 + 115.901-109.286 120.015-127.789 + 120.727-152.100 111.041-109.985 + 93.133 56.108 101.807-105.465 + 93.352 0.000 111.350 -80.973 + # 44 total E -8.75454E+01 rmsd from N 0.000 %NC 0.00 1 + 93.855 113.203 145.230 -14.656 + 91.719 89.291 136.959 -12.075 + 91.524 44.020 176.063 173.500 + 89.289 47.372 133.118 -84.344 + 88.905 51.080 119.269-136.192 + 88.432 52.328 117.008 -46.766 + 89.620 44.101 158.330-171.107 + 92.075 71.509 127.991-135.529 + 91.153 -57.364 145.026-122.566 + 110.095 -70.280 0.000 0.000 + 102.230 -24.296 0.000 0.000 + 93.142 105.315 135.764-161.036 + 93.592 91.040 114.342 -76.431 + 94.875 -95.180 116.268 -72.354 + 95.022 114.494 0.000 0.000 + 131.940 -75.841 154.612 -16.292 + 119.183-106.938 105.009-104.012 + 118.652-138.345 108.752-108.387 + 93.733 77.975 124.405-146.970 + 93.314 0.000 111.814 -78.084 + # 45 total E -8.56921E+01 rmsd from N 0.000 %NC 0.00 1 + 93.899 122.696 146.282 -8.542 + 91.249 88.708 130.281 -6.081 + 90.068 51.218 96.724 -88.866 + 89.315 44.177 149.904-100.292 + 90.081 44.975 126.871-135.649 + 90.721 51.101 128.141 74.614 + 90.710 38.290 134.616-145.044 + 92.730 64.553 130.731-134.350 + 92.475 -43.776 142.915-149.617 + 116.571-156.035 0.000 0.000 + 92.937 46.052 0.000 0.000 + 89.791 48.845 97.780 -97.378 + 89.650 45.372 112.644 -78.727 + 93.545-172.202 116.129 -78.344 + 94.648 120.950 0.000 0.000 + 127.684 -80.342 115.410 -98.733 + 118.148-108.271 116.945-123.906 + 119.431-141.199 111.192-110.730 + 93.226 72.826 103.365-113.231 + 93.312 0.000 112.463 -78.141 + # 46 total E -8.68119E+01 rmsd from N 0.000 %NC 0.00 1 + 93.895 121.881 146.236 -9.380 + 91.319 86.744 128.446 -14.539 + 90.593 48.930 95.963 -90.455 + 89.721 44.179 149.982 -96.628 + 89.893 46.518 121.451-127.483 + 90.782 49.870 123.663 50.046 + 90.057 46.580 127.718-155.094 + 90.879 56.978 133.757-135.688 + 91.970 169.542 141.697-123.394 + 95.459 104.145 0.000 0.000 + 124.969 -51.122 0.000 0.000 + 110.185 172.632 132.141-145.985 + 121.203 177.524 119.579 -79.927 + 94.521 31.766 115.891 -76.354 + 96.431 71.500 0.000 0.000 + 124.278 -80.753 149.849 -96.911 + 118.918-112.454 108.285-110.450 + 118.833-142.310 112.797-114.083 + 116.024-118.315 134.739-147.966 + 121.710 0.000 121.568 -80.707 + # 47 total E -8.78005E+01 rmsd from N 0.000 %NC 0.00 1 + 93.841 119.047 148.369 -13.733 + 91.422 89.552 130.868 -10.770 + 91.600 39.455 90.599 -81.314 + 90.357 54.549 130.669 -82.400 + 88.987 52.039 125.408-139.698 + 88.838 48.503 111.448 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-76.601 135.821 -87.823 + 120.286-112.145 112.045-116.974 + 119.373-135.065 109.832-109.922 + 118.304-118.703 119.470-123.466 + 121.891 0.000 121.549 -81.072 + # 49 total E -8.37705E+01 rmsd from N 0.000 %NC 0.00 1 + 93.948 108.646 141.660 -9.876 + 91.745 81.152 141.362 -14.151 + 90.108 48.764 112.200 -70.338 + 89.566 41.580 151.186-109.619 + 90.061 49.449 121.812-123.337 + 91.358 70.868 118.305 50.193 + 90.885 78.079 146.108-142.266 + 95.462-114.135 93.294-102.329 + 128.177 175.700 150.218 1.029 + 133.253 -65.889 0.000 0.000 + 93.655 41.583 0.000 0.000 + 101.038-142.885 86.326 -73.862 + 117.353 175.149 120.765 -79.461 + 120.928-165.967 120.866 -78.566 + 120.087 166.299 0.000 0.000 + 126.214 -87.802 111.806-126.900 + 119.034-110.920 114.275-118.841 + 118.759-141.426 113.069-113.817 + 93.167 72.335 104.763-113.535 + 93.316 0.000 111.998 -78.620 + # 50 total E -8.51112E+01 rmsd from N 0.000 %NC 0.00 1 + 93.895 122.231 146.358 -9.124 + 91.388 87.442 130.074 -15.109 + 90.493 49.615 95.386 -87.516 + 89.942 42.876 149.924 -98.379 + 90.397 44.925 126.839-119.025 + 90.615 51.052 149.724 44.629 + 90.523 40.089 133.301-149.722 + 92.146 92.070 131.445-136.213 + 91.739 -16.117 145.870 -42.216 + 105.068 -73.121 0.000 0.000 + 94.841 -13.262 0.000 0.000 + 95.357 159.317 98.221 -95.891 + 94.361 149.059 109.855 -80.508 + 92.542 43.864 115.944 -77.647 + 95.179 80.118 0.000 0.000 + 110.566 -65.479 122.626 -56.691 + 119.477-108.317 118.553-124.078 + 119.438-135.266 111.909-112.135 + 93.520 56.212 95.096-103.228 + 93.342 0.000 114.558 -78.396 + # 51 total E -8.68763E+01 rmsd from N 0.000 %NC 0.00 1 + 93.695 96.048 153.568 -25.164 + 92.930 136.981 145.358 -25.029 + 125.142 -90.958 90.092-102.489 + 91.354 55.856 148.014-109.756 + 89.856 42.852 111.189 -33.048 + 90.752 46.721 163.523 114.732 + 90.844 58.989 135.785 -56.858 + 91.423 35.866 140.044-125.974 + 93.048-114.936 105.243 -79.449 + 93.347 150.619 0.000 0.000 + 125.372 -22.136 0.000 0.000 + 92.665 77.876 82.827 -86.715 + 92.157 108.584 113.591 -76.917 + 93.520 21.093 114.443 -78.741 + 96.999 77.860 0.000 0.000 + 128.662 -85.729 135.177 -98.295 + 119.257-111.622 113.191-118.212 + 118.803-146.747 113.264-114.511 + 93.738 39.999 94.733 -98.990 + 93.414 0.000 113.706 -81.685 + # 52 total E -8.60856E+01 rmsd from N 0.000 %NC 0.00 1 + 93.807 115.922 149.528 -16.379 + 93.046 112.704 138.357 -34.288 + 133.122-107.606 96.125 -88.655 + 92.891 69.748 132.763-123.010 + 90.881 53.558 119.219 -23.240 + 91.218 71.822 96.779 -64.292 + 91.659 155.883 160.962-115.370 + 92.148 93.835 130.846-125.268 + 91.778 -68.566 104.335 -83.121 + 94.673 165.089 0.000 0.000 + 136.045 -53.208 0.000 0.000 + 113.938 178.555 121.506-128.164 + 93.964 113.365 114.688 -77.273 + 114.788 -94.289 115.966 -80.121 + 96.102 86.948 0.000 0.000 + 132.530 -82.382 88.309 -64.037 + 116.894-107.645 119.114-124.983 + 120.812-117.737 111.018-109.956 + 93.102 76.004 95.420-111.367 + 93.286 0.000 109.635 -78.935 + # 53 total E -8.50248E+01 rmsd from N 0.000 %NC 0.00 1 + 93.889 121.171 146.502 -9.910 + 91.341 86.258 128.368 -14.903 + 90.968 47.555 94.718 -89.383 + 90.140 43.898 148.483 -95.782 + 89.976 45.810 119.571-126.282 + 90.659 52.132 131.779 46.450 + 89.789 44.783 129.348-161.848 + 90.614 57.350 131.421-134.669 + 92.189 177.323 139.615-121.059 + 95.854 150.526 0.000 0.000 + 126.932 -32.374 0.000 0.000 + 93.609 84.720 93.316 -86.094 + 135.847-105.387 119.238 -77.609 + 115.558 -59.094 116.436 -79.091 + 95.049 72.540 0.000 0.000 + 122.290 -94.060 74.264 -72.570 + 122.749-165.213 126.500-133.695 + 97.050-171.632 101.622 -92.512 + 93.793 80.343 130.878-158.022 + 93.314 0.000 113.185 -77.229 + # 54 total E -8.42727E+01 rmsd from N 0.000 %NC 0.00 1 + 93.958 127.909 144.987 0.285 + 91.399 87.448 137.923 -32.702 + 91.891 44.588 118.861 101.591 + 90.333 45.293 147.114 -93.351 + 90.519 42.812 118.287-124.659 + 92.496 97.297 155.458 114.270 + 92.358 -54.566 144.051 -50.745 + 92.948 93.853 126.682-108.734 + 93.025 10.003 89.418 -94.888 + 119.943-150.277 0.000 0.000 + 134.844 -39.162 0.000 0.000 + 105.265 -29.065 95.428 -84.086 + 91.468 98.431 115.059 -76.049 + 92.409 -1.074 108.498 -78.722 + 117.771 -24.447 0.000 0.000 + 125.009 -81.847 96.182-114.118 + 118.820-116.536 112.783-116.424 + 118.322-162.014 120.993-125.345 + 93.210 62.640 103.809-100.625 + 93.335 0.000 111.841 -79.850 + # 55 total E -8.54389E+01 rmsd from N 0.000 %NC 0.00 1 + 93.712 47.568 108.980 -80.546 + 93.133 168.290 139.675 -37.639 + 105.224 172.189 116.526 -75.493 + 91.955 62.570 140.735-106.526 + 90.126 41.953 115.847-111.808 + 91.819 54.026 133.508 34.840 + 90.660 37.077 144.970-123.734 + 92.251 62.618 130.681-134.330 + 91.873 -72.616 130.614-130.888 + 119.325 -66.575 0.000 0.000 + 130.317 -43.136 0.000 0.000 + 105.883 -27.956 92.220 -83.249 + 91.620 97.780 133.033 137.913 + 91.841 5.667 106.546 -79.120 + 119.705 -12.891 0.000 0.000 + 126.351 -76.948 98.419 -58.510 + 116.400-105.254 118.431-122.565 + 118.475-138.207 137.764-147.934 + 93.382 69.209 95.287-104.066 + 93.409 0.000 126.878-130.758 + # 56 total E -8.55081E+01 rmsd from N 0.000 %NC 0.00 1 + 93.892 123.281 145.115 -16.794 + 122.130 178.110 160.550 -9.996 + 93.108 77.065 153.157 107.323 + 91.045 44.341 146.821 -92.360 + 89.591 47.211 129.842 -92.102 + 90.608 54.526 128.659 30.141 + 90.250 36.740 139.907-170.299 + 92.113 59.960 127.482-132.164 + 92.392 -61.107 134.815-112.019 + 123.459 -56.676 0.000 0.000 + 120.933 -17.473 0.000 0.000 + 112.842-142.115 92.609 -81.805 + 128.026-146.235 116.106 -78.250 + 93.981 38.993 115.805 -76.394 + 95.783 61.270 0.000 0.000 + 111.892 -72.235 143.694 -20.841 + 117.965-109.938 110.563-111.798 + 119.322-142.736 113.837-114.620 + 93.157 72.136 107.425-114.639 + 93.308 0.000 112.713 -77.943 + # 57 total E -8.52103E+01 rmsd from N 0.000 %NC 0.00 1 + 93.767 100.497 148.835 -25.323 + 93.188 118.016 142.956 -27.899 + 129.529-102.903 89.815 -96.449 + 91.689 62.568 142.915-109.076 + 90.607 41.486 113.087 -91.018 + 90.659 55.519 141.316 42.779 + 90.127 40.364 140.092-145.567 + 91.659 69.992 131.411-137.674 + 91.800 -40.664 141.374-129.711 + 115.543-156.067 0.000 0.000 + 92.661 47.365 0.000 0.000 + 89.703 49.264 97.785 -97.569 + 89.449 45.569 110.050 -74.224 + 94.225-176.726 112.952 -77.495 + 94.128 116.733 0.000 0.000 + 130.286 -78.457 111.369-100.459 + 118.520-107.707 115.900-122.531 + 120.085-136.848 111.313-110.682 + 118.833-118.460 117.626-121.772 + 121.885 0.000 121.446 -81.117 + # 58 total E -8.42973E+01 rmsd from N 0.000 %NC 0.00 1 + 93.724 89.608 150.350 -28.966 + 92.998 126.165 143.961 -30.711 + 126.054-100.539 93.705-101.437 + 91.662 60.241 145.812-107.294 + 90.039 42.549 113.055 -61.448 + 90.457 50.720 116.465 -41.041 + 90.404 51.616 150.728-130.790 + 90.776 44.551 87.368 -66.078 + 92.489-113.841 107.729 -81.559 + 94.566 156.963 0.000 0.000 + 127.009 -41.008 0.000 0.000 + 111.628-172.625 125.242-134.914 + 94.545 173.262 134.672 168.945 + 126.628 -48.897 125.154-156.548 + 96.387 93.318 0.000 0.000 + 127.767 -87.110 105.697-112.289 + 120.651-110.243 117.272-122.942 + 118.032-136.920 111.654-112.526 + 120.940-104.188 111.232-111.744 + 120.244 0.000 118.431 -79.662 + # 59 total E -8.82703E+01 rmsd from N 0.000 %NC 0.00 1 + 93.706 45.329 109.227 -81.103 + 92.967 173.029 144.820 -19.942 + 92.023 78.528 149.886 108.663 + 89.859 49.155 144.871 -96.738 + 89.334 45.183 115.344 -69.292 + 90.553 52.024 154.847 -13.609 + 90.507 41.641 135.072-166.601 + 91.745 72.778 102.467 -97.533 + 90.892 -59.344 131.008-136.815 + 109.237 -70.240 0.000 0.000 + 101.546 -26.236 0.000 0.000 + 93.001 99.907 138.905-166.144 + 93.081 104.484 115.082 -78.607 + 124.975 -86.532 131.748-156.701 + 95.669 76.273 0.000 0.000 + 125.586 -79.712 136.899 -89.941 + 119.820-110.997 116.167-121.915 + 119.578-134.491 109.393-109.103 + 118.361-118.711 118.899-123.177 + 121.892 0.000 121.547 -81.076 + # 60 total E -8.72372E+01 rmsd from N 0.000 %NC 0.00 1 + 93.885 122.078 146.969 -9.101 + 91.278 84.684 124.449 -19.065 + 91.071 47.239 95.442 -89.469 + 90.376 43.063 150.580 -96.104 + 90.309 45.417 117.200-125.264 + 91.033 50.372 126.611 59.468 + 90.137 50.676 131.875-147.814 + 90.430 43.763 135.253-134.536 + 92.154 165.539 141.275-129.529 + 96.280 102.531 0.000 0.000 + 137.665 -74.019 0.000 0.000 + 123.667 -71.274 107.672-103.897 + 89.976 82.099 123.519 156.160 + 92.244 17.687 111.490 -78.672 + 114.360 -27.439 0.000 0.000 + 127.893 -82.511 151.005 -30.423 + 119.434-116.969 107.452-107.916 + 109.996-170.488 129.841-144.404 + 93.329 51.283 112.901-107.551 + 93.347 0.000 114.040 -78.713 + # 61 total E -8.60141E+01 rmsd from N 0.000 %NC 0.00 1 + 93.892 121.658 146.334 -9.549 + 91.335 86.256 128.704 -14.810 + 90.571 49.258 95.201 -89.727 + 89.583 43.703 150.694 -96.902 + 89.793 47.672 121.417-126.726 + 90.790 51.297 121.438 50.469 + 90.256 44.395 127.952-154.100 + 91.616 61.496 131.216-136.033 + 93.074 168.504 145.289-126.512 + 94.896 111.737 0.000 0.000 + 115.048 -24.757 0.000 0.000 + 101.995 177.331 135.175-156.138 + 94.754 123.448 139.105 -37.805 + 94.293 22.141 115.116 -77.550 + 96.065 63.226 0.000 0.000 + 119.943 -61.524 151.411 -80.690 + 116.851-104.910 108.756-111.039 + 118.595-139.972 112.907-114.121 + 93.610 76.467 129.483-153.191 + 93.301 0.000 112.567 -77.454 + # 62 total E -8.45738E+01 rmsd from N 0.000 %NC 0.00 1 + 93.794 55.410 146.976 -25.939 + 92.057 101.665 132.038 -25.938 + 90.851 51.133 93.173 -83.218 + 89.454 42.291 148.512-103.578 + 89.470 51.108 122.392-131.214 + 90.276 45.863 123.705 22.442 + 90.690 51.582 137.770-106.711 + 91.342 39.149 134.643-135.492 + 93.426-174.205 109.942 -85.671 + 120.236 162.314 0.000 0.000 + 100.119 -21.542 0.000 0.000 + 98.632 179.698 133.345-154.642 + 133.463-175.753 164.813 -72.263 + 119.058 -85.263 119.542 -79.028 + 124.863-177.164 0.000 0.000 + 128.382 -81.426 122.839-123.416 + 117.435-108.512 120.225-128.783 + 120.455-143.427 108.012-105.782 + 93.015 73.389 106.853-117.243 + 93.317 0.000 111.744 -78.803 + # 63 total E -8.56771E+01 rmsd from N 0.000 %NC 0.00 1 + 93.930 122.904 144.639 -7.747 + 91.553 88.567 135.027 -18.675 + 90.452 47.726 126.468 115.801 + 90.136 44.527 147.412 -94.268 + 89.683 46.188 121.635-128.355 + 89.744 52.127 156.128 20.180 + 89.796 53.569 140.011-155.092 + 90.657 77.788 131.867-131.953 + 91.868 -87.894 139.316-125.650 + 140.301 -64.338 0.000 0.000 + 92.842 50.510 0.000 0.000 + 89.455 49.221 98.403 -99.894 + 89.106 64.941 106.345 -75.244 + 92.603 31.103 116.276 -77.288 + 96.026 78.305 0.000 0.000 + 134.629 -75.364 138.607 -96.608 + 119.929-103.016 118.311-125.083 + 118.240-138.511 111.496-111.560 + 93.306 73.579 103.744-117.839 + 93.306 0.000 112.953 -77.487 + # 64 total E -8.52672E+01 rmsd from N 0.000 %NC 0.00 1 + 93.716 6.998 101.259 -81.300 + 92.682 174.362 139.566 -26.553 + 91.902 68.191 121.360 120.425 + 90.882 38.225 155.096 -96.423 + 90.621 49.590 115.591 -30.041 + 90.523 48.884 156.368 85.384 + 90.677 44.738 135.544-128.630 + 92.699 66.066 132.157-137.358 + 91.830 -71.789 143.754-103.052 + 108.947 -48.980 0.000 0.000 + 116.337 -66.106 0.000 0.000 + 92.709 71.966 132.184-158.739 + 92.698 125.350 113.657 -76.825 + 92.627 -61.870 120.443-146.896 + 105.223 -18.707 0.000 0.000 + 129.368 -81.890 91.435 -64.297 + 116.382-108.603 116.072-123.083 + 119.962-148.318 109.947-108.520 + 93.455 83.399 102.597-106.391 + 93.303 0.000 111.079 -78.112 + # 65 total E -8.49421E+01 rmsd from N 0.000 %NC 0.00 1 + 93.712 98.533 151.536 -27.723 + 93.147 122.437 138.587 -33.804 + 128.427-100.814 95.347-100.163 + 92.625 53.147 160.700-137.682 + 90.699 42.690 107.637 -38.831 + 91.670 51.507 144.678 80.686 + 91.090 37.977 138.122-114.069 + 92.345 56.363 133.996-143.522 + 94.039-172.782 145.184 -23.483 + 93.707 126.381 0.000 0.000 + 121.608 -20.858 0.000 0.000 + 93.461 93.961 131.625-154.706 + 123.454-103.336 114.390 -76.579 + 131.051 -86.058 120.178 -80.545 + 95.834 171.689 0.000 0.000 + 130.106 -83.981 118.027-113.036 + 119.633-107.761 115.013-120.720 + 117.410-138.734 112.386-113.449 + 93.786 74.822 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44.348 136.919-173.491 + 91.940 72.699 135.872-130.505 + 90.573 -63.222 131.012-134.224 + 107.480 -68.543 0.000 0.000 + 100.341 -27.913 0.000 0.000 + 92.978 100.244 136.653-162.074 + 92.929 101.505 114.612 -78.147 + 124.300 -91.143 123.320-139.244 + 94.540 80.781 0.000 0.000 + 129.019 -69.421 132.553-118.943 + 120.080-121.382 107.254-112.217 + 121.406-168.662 112.536-112.468 + 93.311 52.291 100.042-101.097 + 93.353 0.000 110.882 -81.396 + # 68 total E -8.36728E+01 rmsd from N 0.000 %NC 0.00 1 + 93.734 31.532 103.778 -77.635 + 93.282 170.667 145.514 -30.857 + 93.235 93.012 136.534-103.674 + 104.748 -49.053 133.746 -83.467 + 91.084 81.962 119.388-110.200 + 91.781 42.646 134.586 87.689 + 90.996 48.915 149.835-149.673 + 92.679 60.237 125.280-141.516 + 92.416 -75.218 143.877-124.548 + 111.280 -45.693 0.000 0.000 + 116.029 -73.152 0.000 0.000 + 93.186 64.163 128.211-150.599 + 93.646 127.111 114.786 -77.401 + 115.845 -84.474 128.166-155.018 + 96.051 66.279 0.000 0.000 + 127.096-102.099 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93.952 106.605 142.229 -3.405 + 92.450 152.829 138.803 -22.733 + 90.340 90.007 99.279 -97.145 + 88.903 43.180 146.160-114.312 + 89.444 48.228 95.646 -58.402 + 90.621 48.130 129.328 64.153 + 90.211 48.453 137.639-113.578 + 90.615 49.890 132.718-136.310 + 92.114 175.864 141.494-123.946 + 94.918 136.606 0.000 0.000 + 126.357 -32.418 0.000 0.000 + 93.900 83.920 97.756 -98.883 + 125.956-106.401 121.254 -76.017 + 128.702 -92.583 122.154 -80.334 + 128.074-174.732 0.000 0.000 + 126.178 -87.845 104.281-112.328 + 118.307-109.274 124.942-134.244 + 121.575-141.686 109.222-106.912 + 117.114-119.241 116.609-119.588 + 121.867 0.000 121.722 -80.947 + # 74 total E -8.57684E+01 rmsd from N 0.000 %NC 0.00 1 + 93.838 95.141 147.282 -14.482 + 91.367 69.886 139.739 -53.418 + 90.438 60.465 123.374 106.589 + 89.337 47.926 149.520 -91.414 + 90.527 43.910 109.673 -61.065 + 90.532 51.688 152.964 57.384 + 90.412 42.939 138.354-141.791 + 92.108 67.388 134.445-136.575 + 91.010 -67.294 140.602-118.306 + 110.043 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131.609-155.083 + 93.300 0.000 112.554 -77.411 + # 76 total E -8.70516E+01 rmsd from N 0.000 %NC 0.00 1 + 93.899 122.586 146.187 -8.327 + 91.533 85.209 138.050 -28.021 + 91.271 47.736 127.570 112.688 + 90.410 41.875 149.675 -95.761 + 90.054 49.617 120.186 -29.848 + 90.283 44.236 164.547 39.702 + 90.270 55.644 135.327-127.560 + 90.704 45.004 136.020-123.570 + 92.051-119.461 110.010 -80.104 + 95.306 154.693 0.000 0.000 + 130.718 -60.943 0.000 0.000 + 101.732 168.601 106.547 -96.565 + 93.803 131.689 129.993-160.396 + 115.829 -73.738 115.551 -80.759 + 95.409 74.619 0.000 0.000 + 129.576 -83.467 92.809 -63.747 + 117.638-107.023 121.097-128.585 + 120.414-136.176 110.718-108.307 + 92.774 88.737 100.629-112.411 + 93.258 0.000 108.367 -77.927 + # 77 total E -8.49045E+01 rmsd from N 0.000 %NC 0.00 1 + 93.733 -7.086 96.264 -84.073 + 92.345 169.721 141.466 -25.073 + 91.926 68.568 118.152 124.115 + 91.283 35.549 153.289 -99.080 + 90.501 51.658 110.862 -28.208 + 90.882 41.275 156.001 105.941 + 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90.603 47.029 146.416 -92.102 + 89.879 46.847 121.907-129.335 + 90.542 48.668 133.695 -9.668 + 90.142 45.343 138.906-142.407 + 90.650 66.244 134.414-133.590 + 91.659-175.166 131.377-123.881 + 94.872 71.318 0.000 0.000 + 92.808 41.013 0.000 0.000 + 89.890 65.106 106.110 -98.476 + 89.395 125.028 133.350-104.762 + 91.500 -65.188 112.188-143.980 + 95.259 77.662 0.000 0.000 + 137.978 -89.388 89.443 -64.069 + 118.254-106.645 118.313-125.675 + 120.670-138.927 107.225-103.315 + 92.915 85.077 101.518-112.576 + 93.287 0.000 109.520 -78.466 + # 81 total E -8.72116E+01 rmsd from N 0.000 %NC 0.00 1 + 93.986 126.027 142.596 -2.558 + 91.454 89.544 135.738 -18.000 + 91.160 46.914 126.101 98.377 + 90.054 44.708 147.820 -91.056 + 90.078 46.652 121.596-128.520 + 90.282 50.511 158.744 39.976 + 90.408 41.776 145.227-129.856 + 92.070 68.780 131.676-135.349 + 91.124 -60.944 136.498-118.479 + 113.747 -63.514 0.000 0.000 + 101.076 -21.981 0.000 0.000 + 93.262 94.969 95.818 -83.435 + 122.118 144.220 118.158 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121.407 146.511 -9.659 + 91.320 85.109 128.980 -15.483 + 90.928 44.302 93.501 -87.665 + 90.218 45.916 148.747 -97.597 + 90.001 42.460 122.228-127.391 + 91.351 51.691 134.235 21.887 + 90.589 36.326 132.235-158.679 + 92.484 67.018 131.418-134.183 + 92.456 -76.750 135.034-114.515 + 122.427 -2.382 0.000 0.000 + 135.758 -32.701 0.000 0.000 + 127.931-176.279 106.508-102.083 + 126.160 168.016 117.991 -81.329 + 119.747 -64.889 118.788 -78.252 + 94.757 71.672 0.000 0.000 + 120.985 -67.404 118.260-131.234 + 117.920-109.437 115.584-121.561 + 118.641-136.859 143.231-157.996 + 93.793 54.110 92.484 -93.436 + 93.347 0.000 114.972 -78.338 + # 84 total E -9.09006E+01 rmsd from N 0.000 %NC 0.00 1 + 93.914 124.016 145.895 -6.834 + 91.533 88.174 134.537 -24.718 + 91.776 44.265 123.685 104.099 + 90.119 45.809 141.339 -86.981 + 90.044 45.523 119.334-126.568 + 90.227 47.766 156.387 48.963 + 90.677 47.080 141.958 175.760 + 92.139 74.909 137.099-131.503 + 90.505 -66.679 136.265-130.355 + 103.078 -66.412 0.000 0.000 + 99.036 -33.117 0.000 0.000 + 92.643 102.122 133.645-159.189 + 94.186 126.709 113.390 -78.509 + 107.224 -87.543 120.683-155.640 + 94.934 59.926 0.000 0.000 + 128.258 -82.602 102.272 -59.633 + 116.489-106.780 125.233-134.345 + 122.138-149.685 110.050-108.685 + 92.887 56.951 99.878-105.312 + 93.346 0.000 112.023 -80.255 + # 85 total E -8.59238E+01 rmsd from N 0.000 %NC 0.00 1 + 93.944 108.769 140.336 -16.530 + 92.999 104.756 141.601 -36.337 + 129.110-112.754 96.388 -93.402 + 92.960 66.159 141.995-107.635 + 91.201 34.651 112.625 -91.661 + 92.226 55.383 131.957 41.387 + 90.992 36.906 133.187-160.575 + 92.206 62.729 136.856-133.583 + 91.389 -74.972 131.617-133.286 + 117.646 -64.074 0.000 0.000 + 125.529 -48.909 0.000 0.000 + 103.361 -27.388 96.161 -92.426 + 92.182 101.181 128.526 138.192 + 92.276 9.889 108.333 -77.942 + 119.394 -14.564 0.000 0.000 + 126.053 -82.534 85.835 -62.146 + 116.078-108.183 117.827-122.872 + 117.023-142.491 141.458-155.825 + 93.242 54.249 94.775 -95.460 + 93.359 0.000 111.797 -80.981 + # 86 total E -8.92478E+01 rmsd from N 0.000 %NC 0.00 1 + 93.867 120.776 147.399 -11.441 + 91.446 88.621 130.134 -16.332 + 90.554 47.980 93.538 -85.786 + 89.270 46.027 143.807 -95.423 + 89.255 50.171 122.453-131.939 + 89.325 49.465 154.914 37.303 + 90.703 63.885 130.792 -54.193 + 91.632 102.849 133.590-133.256 + 91.165 -24.542 145.745-130.361 + 101.275 -71.579 0.000 0.000 + 98.682 -21.782 0.000 0.000 + 93.334 102.681 134.275-157.495 + 94.173 113.219 119.595 -75.258 + 120.902-100.098 118.069 -84.237 + 95.353 64.009 0.000 0.000 + 126.789 -87.504 99.219 -62.449 + 116.862-110.625 119.580-126.938 + 121.349-147.136 111.613-109.778 + 92.289 77.983 104.702-112.238 + 93.326 0.000 108.159 -81.506 + # 87 total E -8.34793E+01 rmsd from N 0.000 %NC 0.00 1 + 94.022 128.330 141.543 2.030 + 91.302 91.264 132.471 -13.605 + 90.543 49.696 127.241 102.810 + 89.812 44.168 148.879 -97.124 + 89.604 49.952 121.680-132.252 + 89.818 68.772 130.870 31.748 + 89.358 59.170 142.223-174.092 + 89.893 37.659 78.661 -86.795 + 93.440 -98.199 137.730-114.503 + 122.695 -68.677 0.000 0.000 + 105.694 -32.787 0.000 0.000 + 92.105 -47.911 93.634 -81.365 + 92.444 92.927 114.497 -75.320 + 132.726-105.182 119.271 -82.784 + 97.088 168.271 0.000 0.000 + 129.464 -81.939 122.891 -63.039 + 119.459-108.217 115.413-120.281 + 119.011-142.149 115.251-116.733 + 93.586 49.287 98.764-101.318 + 93.364 0.000 114.376 -79.419 + # 88 total E -8.80504E+01 rmsd from N 0.000 %NC 0.00 1 + 93.905 122.961 146.040 -7.973 + 91.271 86.112 128.127 -14.459 + 90.838 47.729 96.785 -90.203 + 89.753 44.556 151.208 -97.054 + 90.122 46.985 123.243-125.633 + 91.237 48.287 120.576 63.229 + 90.816 43.402 128.057-145.428 + 91.854 56.058 134.141-134.553 + 93.176-177.056 141.738-133.864 + 133.936 -69.778 0.000 0.000 + 111.414 -6.370 0.000 0.000 + 91.016 72.469 100.952 -97.126 + 90.200 -0.320 107.600 -76.380 + 107.942-135.295 103.641 -75.604 + 94.724 122.635 0.000 0.000 + 120.236 -71.273 140.725 -43.524 + 114.733-132.017 90.828 -82.932 + 106.792-172.656 130.361-146.446 + 93.303 50.053 108.697-108.201 + 93.346 0.000 113.343 -79.371 + # 89 total E -8.78989E+01 rmsd from N 0.000 %NC 0.00 1 + 93.851 106.272 146.668 -11.934 + 91.529 80.012 138.697 -27.518 + 90.826 44.583 134.310 115.328 + 89.973 49.287 140.603 -88.113 + 89.596 42.873 120.888-129.608 + 90.056 49.663 138.681 -14.460 + 90.291 43.422 140.998 179.413 + 91.454 72.150 136.199-132.501 + 90.659 -55.542 134.280-129.189 + 115.673 -70.218 0.000 0.000 + 107.946 -20.841 0.000 0.000 + 108.984-144.747 95.027 -77.941 + 126.217-139.950 122.025 -79.279 + 93.762 36.100 115.717 -76.258 + 95.170 64.070 0.000 0.000 + 111.363 -63.300 154.692 -9.958 + 118.356-112.224 109.614-114.025 + 121.748-141.770 113.806-112.853 + 116.202-118.271 133.108-144.714 + 121.709 0.000 121.560 -80.712 + # 90 total E -8.70078E+01 rmsd from N 0.000 %NC 0.00 1 + 93.883 121.298 146.750 -10.069 + 91.354 85.953 128.597 -17.018 + 91.029 45.502 93.859 -87.743 + 90.389 44.786 147.544 -96.760 + 90.148 43.254 119.931-126.069 + 91.180 48.625 141.457 27.515 + 90.318 44.393 130.678-159.186 + 91.849 75.511 136.490-133.878 + 90.925 -97.103 138.690-123.685 + 95.869 56.145 0.000 0.000 + 150.847 -70.371 0.000 0.000 + 128.312 172.298 108.805-103.788 + 124.880 165.721 122.112 -80.349 + 118.474 -63.002 117.783 -79.689 + 94.529 73.865 0.000 0.000 + 121.758 -71.929 69.438 -75.052 + 117.176-109.106 116.805-122.689 + 118.755-136.468 143.539-158.114 + 93.559 62.869 91.793 -94.369 + 93.332 0.000 112.892 -79.007 + # 91 total E -8.58632E+01 rmsd from N 0.000 %NC 0.00 1 + 93.698 85.927 151.179 -31.160 + 93.028 125.252 142.799 -39.619 + 128.750 -97.135 95.895-105.205 + 92.021 52.139 149.659-103.249 + 90.482 39.264 104.513 -45.075 + 91.946 52.187 162.122 112.787 + 90.671 44.459 145.908-106.275 + 92.178 77.103 137.862-136.986 + 91.607 -68.398 144.314-133.971 + 118.919 -22.016 0.000 0.000 + 117.315 -45.905 0.000 0.000 + 96.094 -41.673 91.511 -87.741 + 90.965 111.918 138.915 -34.319 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105.196 -81.914 + 108.344 178.809 161.713 -21.697 + 93.809 85.139 176.393 179.418 + 91.647 46.527 137.750 -83.643 + 90.436 46.674 121.805-108.615 + 90.478 48.270 98.511-134.765 + 90.372 42.304 141.640-170.178 + 91.888 50.235 134.485-126.914 + 92.687 -77.743 116.327 -78.718 + 130.138 -3.251 0.000 0.000 + 138.764 -28.711 0.000 0.000 + 112.520-147.612 89.323 -66.650 + 92.303 89.933 142.334 -17.033 + 93.071 24.147 114.884 -75.301 + 96.301 65.400 0.000 0.000 + 120.392 -86.729 125.893 -87.388 + 117.510-110.602 117.150-124.450 + 118.872-144.392 111.505-110.387 + 93.617 52.985 128.352-150.410 + 93.361 0.000 112.094 -80.821 + # 94 total E -8.47179E+01 rmsd from N 0.000 %NC 0.00 1 + 93.890 121.509 144.490 -18.295 + 116.553-177.965 144.181 -17.904 + 108.131-164.943 104.217 -94.216 + 90.905 61.191 140.727-101.708 + 89.394 41.543 121.102-120.288 + 90.665 59.286 127.289 25.663 + 90.200 34.963 145.079-162.186 + 92.241 64.272 126.930-136.068 + 92.134 -56.119 136.877-117.297 + 119.677 -56.280 0.000 0.000 + 123.974 -37.222 0.000 0.000 + 110.745 160.628 90.739 -78.163 + 93.037 80.765 136.180 135.172 + 120.560 -42.883 116.165 -75.865 + 94.662 86.995 0.000 0.000 + 115.484 -65.662 122.880-120.974 + 118.331-109.283 116.977-124.003 + 119.915-143.194 107.368-105.374 + 93.100 73.547 103.537-119.099 + 93.312 0.000 112.087 -78.365 + # 95 total E -8.52294E+01 rmsd from N 0.000 %NC 0.00 1 + 93.884 124.564 147.801 -6.928 + 91.300 91.872 130.879 -1.742 + 90.583 45.233 95.551 -79.642 + 90.526 57.248 142.180-116.115 + 90.203 60.782 129.200 8.488 + 90.148 73.603 95.456 -64.144 + 91.415 161.581 154.031-106.159 + 92.295 96.482 126.997-128.655 + 91.612 -69.179 104.077 -83.220 + 94.712 164.956 0.000 0.000 + 136.642 -55.820 0.000 0.000 + 118.895-175.674 118.677-121.570 + 93.767 108.913 114.752 -77.298 + 122.263-100.118 114.323 -80.586 + 95.751 92.461 0.000 0.000 + 128.160 -80.036 89.892 -63.469 + 116.723-108.422 120.345-127.868 + 120.767-120.140 109.080-105.283 + 92.688 77.751 98.298-114.417 + 93.282 0.000 109.232 -78.948 + # 96 total E -8.93164E+01 rmsd from N 0.000 %NC 0.00 1 + 93.712 97.000 108.556 -80.349 + 113.444 178.271 152.910 -16.909 + 92.827 74.404 142.660 112.251 + 89.878 48.480 146.991 -97.835 + 89.335 45.125 111.820 -68.347 + 90.423 51.941 157.269 -7.009 + 90.526 42.301 135.800-162.753 + 91.658 72.492 103.381 -98.843 + 90.794 -60.005 130.531-136.438 + 108.716 -69.573 0.000 0.000 + 101.033 -26.796 0.000 0.000 + 92.990 100.198 138.666-165.246 + 93.335 107.388 115.435 -78.730 + 124.001 -87.506 130.890-159.357 + 95.583 73.720 0.000 0.000 + 124.991 -80.160 132.077 -85.010 + 118.760-110.863 116.459-122.613 + 120.408-147.158 110.876-110.718 + 93.050 85.724 101.135-108.093 + 93.428 0.000 119.474-131.425 + # 97 total E -8.72107E+01 rmsd from N 0.000 %NC 0.00 1 + 93.710 9.902 103.488 -81.511 + 92.973 161.860 144.433 -14.048 + 91.413 78.279 142.948 87.045 + 90.848 41.793 149.424 -95.189 + 90.409 48.555 120.318 -59.343 + 91.438 48.894 132.564 44.154 + 90.718 41.127 138.746-122.503 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122.923-133.259 + 121.874-146.344 107.996-105.152 + 92.881 71.990 107.000-113.694 + 93.318 0.000 111.074 -79.601 + # 99 total E -8.69653E+01 rmsd from N 0.000 %NC 0.00 1 + 93.904 117.551 144.318 -9.729 + 91.464 81.855 130.757 -18.735 + 92.240 38.318 140.017 112.411 + 91.468 49.424 143.832 -87.807 + 90.264 41.440 119.180-126.024 + 91.145 51.539 124.469 -23.089 + 91.100 34.777 149.807-146.107 + 93.078 60.113 132.826-132.225 + 92.895 -61.881 134.636-126.374 + 121.875-127.720 0.000 0.000 + 119.088 -28.882 0.000 0.000 + 92.485 67.613 134.207-160.104 + 92.875 63.099 111.630 -76.162 + 97.081-102.623 110.961 -78.461 + 94.361 133.477 0.000 0.000 + 132.045 -65.696 176.452-170.133 + 115.541-102.803 111.025-119.428 + 119.036-140.113 112.949-112.330 + 93.757 76.840 126.822-150.578 + 93.328 0.000 111.932 -77.861 + # 100 total E -8.84151E+01 rmsd from N 0.000 %NC 0.00 1 + 93.922 124.508 145.616 -5.901 + 91.276 86.155 128.396 -17.751 + 91.269 45.127 98.510 -88.806 + 90.226 44.750 150.731 -96.493 + 90.410 44.646 121.929-123.675 + 91.935 50.518 124.508 71.969 + 91.438 38.915 130.800-147.335 + 93.734 79.176 132.431-131.912 + 121.842-102.282 155.912-165.997 + 136.181 -64.176 0.000 0.000 + 140.525 -30.026 0.000 0.000 + 104.774 -32.089 94.391 -85.230 + 90.970 99.892 113.955 -75.894 + 91.979 -16.949 106.674 -79.081 + 117.696 -30.753 0.000 0.000 + 127.428 -70.785 138.989 -58.809 + 118.902-121.686 102.518-102.476 + 115.093-170.177 126.526-136.136 + 93.437 65.604 106.089-105.678 + 93.414 0.000 126.192-136.617 + # 101 total E -8.82070E+01 rmsd from N 0.000 %NC 0.00 1 + 93.980 125.945 142.922 -2.802 + 91.442 91.279 134.988 -16.128 + 90.891 45.583 124.288 98.825 + 89.618 47.837 143.150 -90.310 + 89.549 44.832 122.696-135.317 + 89.773 55.277 126.410 24.431 + 89.940 35.242 144.470 176.132 + 92.158 62.699 127.554-132.386 + 92.075 -52.920 135.099-113.753 + 121.467 -68.268 0.000 0.000 + 119.721 -22.159 0.000 0.000 + 110.757 162.269 83.731 -78.812 + 93.879 82.040 124.260 74.048 + 116.607 -40.319 119.942 -76.732 + 94.678 85.754 0.000 0.000 + 115.728 -72.467 114.669-115.612 + 119.589-110.493 118.240-124.722 + 119.143-140.127 109.008-108.394 + 93.222 73.452 99.484-104.723 + 93.311 0.000 112.143 -78.304 + # 102 total E -8.64347E+01 rmsd from N 0.000 %NC 0.00 1 + 93.864 108.793 146.639 -10.547 + 91.469 75.051 139.558 -34.014 + 91.396 45.808 123.461 121.551 + 90.931 42.658 148.747 -98.077 + 89.951 46.915 118.218-114.792 + 90.629 59.356 176.417 18.024 + 89.994 43.399 143.522-144.945 + 91.619 79.931 102.654-110.901 + 92.193 -61.752 143.580-127.171 + 120.062 -22.806 0.000 0.000 + 117.515 -47.395 0.000 0.000 + 95.981 -40.247 93.427 -91.626 + 91.062 112.414 138.017 -48.284 + 95.190 25.685 113.576 -80.081 + 96.359 64.674 0.000 0.000 + 122.523 -83.143 111.174-126.881 + 115.690-106.874 123.557-134.674 + 113.110-138.939 100.031 -90.546 + 117.154-113.763 126.949-135.373 + 94.641 0.000 116.391 -77.619 + # 103 total E -8.90087E+01 rmsd from N 0.000 %NC 0.00 1 + 93.921 122.241 144.701 -8.287 + 91.227 87.065 127.833 -10.059 + 90.584 48.947 132.489 103.403 + 89.603 47.041 149.024 -92.128 + 89.798 44.744 122.818-133.071 + 90.427 51.673 128.855 37.064 + 90.305 39.378 143.337-144.041 + 91.853 60.743 131.780-134.008 + 91.452 -70.562 132.030-126.589 + 118.134 -64.638 0.000 0.000 + 126.656 -48.406 0.000 0.000 + 103.153 -27.153 94.054 -90.746 + 92.104 101.048 129.905 148.244 + 92.369 12.758 109.021 -78.015 + 119.749 -15.137 0.000 0.000 + 122.155 -89.749 86.172 -63.947 + 117.944-113.168 114.495-117.781 + 115.298-142.492 136.916-151.975 + 93.423 51.250 100.424 -92.053 + 93.360 0.000 113.131 -80.212 + # 104 total E -9.25429E+01 rmsd from N 0.000 %NC 0.00 1 + 93.868 122.259 147.957 -9.469 + 91.469 84.908 129.430 -27.498 + 91.434 44.740 94.034 -85.011 + 90.719 43.936 146.648 -93.647 + 90.159 42.706 119.402-119.119 + 90.717 49.343 161.170 38.454 + 90.569 47.062 132.123-168.167 + 91.972 75.985 136.666-130.329 + 90.071 -65.210 133.269-134.812 + 101.909 -65.766 0.000 0.000 + 97.789 -33.575 0.000 0.000 + 92.787 104.702 140.532-169.918 + 94.360 105.051 113.362 -77.188 + 120.538 -95.347 118.685 -77.337 + 94.738 80.524 0.000 0.000 + 131.474 -71.209 127.282 -90.872 + 115.613-109.737 85.196 -96.046 + 117.449-155.705 113.820-116.793 + 93.687 59.051 104.767-112.380 + 93.418 0.000 125.420-142.743 + # 105 total E -8.63354E+01 rmsd from N 0.000 %NC 0.00 1 + 93.739 112.177 153.137 -18.182 + 93.040 125.265 134.677 -36.340 + 126.417 -97.091 94.957 -91.019 + 91.689 55.352 144.226-116.164 + 89.939 43.115 123.228 -89.250 + 90.323 65.991 118.225 -28.633 + 90.075 43.858 152.940-142.401 + 91.176 75.447 84.010 -77.397 + 91.805 -79.214 138.032-120.490 + 95.303 169.762 0.000 0.000 + 146.631 -45.986 0.000 0.000 + 133.480 170.323 103.814 -95.585 + 93.925 155.080 114.819 -76.873 + 120.874 -69.990 118.957 -81.970 + 95.188 61.702 0.000 0.000 + 119.991 -96.696 78.882 -74.160 + 118.500-117.154 115.350-120.311 + 115.352-114.076 140.267-156.981 + 93.916 49.328 87.725 -77.700 + 93.421 0.000 116.892 -79.975 + # 106 total E -8.39662E+01 rmsd from N 0.000 %NC 0.00 1 + 93.852 92.379 146.166 -15.461 + 91.478 65.298 119.307 -75.493 + 90.920 59.676 122.608-101.442 + 90.231 44.468 147.558-101.692 + 89.759 45.986 97.215 -65.516 + 90.411 53.598 131.669-111.158 + 89.415 52.051 128.456-161.581 + 90.589 42.940 128.633-129.034 + 92.396-108.860 107.689 -78.599 + 94.958 136.970 0.000 0.000 + 117.812 -23.680 0.000 0.000 + 119.359-140.912 107.597-103.972 + 93.756 156.208 115.369 -76.983 + 127.437-166.793 120.903 -82.514 + 94.535 64.703 0.000 0.000 + 114.970 -82.132 143.990 60.754 + 118.183-166.412 115.801-122.031 + 131.634-158.804 111.449-100.800 + 92.640 102.561 105.064-105.711 + 93.253 0.000 107.318 -76.925 + # 107 total E -8.92852E+01 rmsd from N 0.000 %NC 0.00 1 + 93.862 108.516 146.516 -12.125 + 91.537 80.500 138.153 -27.022 + 90.911 44.177 135.205 115.309 + 90.117 49.358 141.526 -88.248 + 89.632 42.952 120.856-129.399 + 90.075 50.018 137.198 -16.191 + 90.291 43.216 142.122-173.243 + 91.478 71.963 135.891-132.839 + 90.764 -55.324 134.374-130.266 + 116.123 -69.999 0.000 0.000 + 109.304 -22.154 0.000 0.000 + 109.376-145.185 95.457 -77.118 + 126.477-141.257 122.195 -79.519 + 93.910 35.689 115.752 -76.279 + 95.186 62.922 0.000 0.000 + 109.830 -60.752 153.706 -12.429 + 118.096-110.436 110.247-114.764 + 121.336-141.428 116.272-115.999 + 93.462 76.200 132.249-156.320 + 93.303 0.000 112.586 -77.525 + # 108 total E -8.63694E+01 rmsd from N 0.000 %NC 0.00 1 + 93.986 125.151 142.239 -3.931 + 91.487 90.064 135.377 -16.007 + 91.057 47.025 131.111 99.498 + 90.349 42.545 148.566 -98.134 + 90.401 51.354 122.224-126.375 + 91.841 51.874 134.873 18.581 + 91.621 117.450 138.185-123.253 + 87.764 -38.677 111.247-121.196 + 90.583 -55.795 141.672-123.693 + 95.273 3.521 0.000 0.000 + 114.873 -46.054 0.000 0.000 + 92.409 -37.250 95.640 -95.940 + 92.973 96.337 113.961 -76.433 + 132.234-114.954 117.107 -84.620 + 95.470 162.902 0.000 0.000 + 127.799 -76.148 120.463 -61.769 + 117.805-105.021 119.334-126.391 + 118.212-136.588 109.348-110.220 + 117.981-118.676 122.318-128.804 + 121.886 0.000 121.577 -81.038 + # 109 total E -8.50805E+01 rmsd from N 0.000 %NC 0.00 1 + 93.927 120.200 143.965 -9.764 + 91.482 86.663 131.821 -16.265 + 91.517 43.509 139.385 103.447 + 91.002 46.711 144.313 -92.858 + 90.341 43.450 120.319-127.605 + 91.087 59.520 130.066 -11.666 + 90.751 57.961 154.665-147.254 + 90.969 99.300 84.535 -80.526 + 91.667 -23.755 140.430-141.328 + 99.990 -69.538 0.000 0.000 + 96.057 -24.631 0.000 0.000 + 92.572 104.507 109.495-111.480 + 94.319 129.076 123.338-124.266 + 127.748 -84.016 122.200-153.574 + 116.278 39.180 0.000 0.000 + 103.779 -74.257 107.854 -89.378 + 116.904-114.985 119.988-127.716 + 117.483-141.047 142.995-157.628 + 92.537 80.450 101.034-100.738 + 93.306 0.000 110.005 -79.189 + # 110 total E -8.48303E+01 rmsd from N 0.000 %NC 0.00 1 + 93.705 16.895 104.860 -81.553 + 92.973 168.398 150.675 -25.201 + 92.607 80.788 174.698 169.318 + 91.816 52.596 138.101 -85.512 + 90.604 44.536 126.435 -80.183 + 90.476 45.945 99.044-129.512 + 90.650 51.981 130.703-167.435 + 91.305 39.323 142.906-126.737 + 92.077-109.769 108.063 -77.414 + 94.165 147.572 0.000 0.000 + 114.692 -21.408 0.000 0.000 + 103.062 164.640 97.551-102.569 + 94.450 83.999 114.377 -77.568 + 93.132 -81.847 114.535 -77.058 + 93.393 145.402 0.000 0.000 + 129.772 -72.783 146.991-104.298 + 115.958-101.805 120.253-130.179 + 120.289-138.683 106.904-103.717 + 93.904 48.287 103.257-119.973 + 93.351 0.000 117.627 -76.828 + # 111 total E -8.56247E+01 rmsd from N 0.000 %NC 0.00 1 + 93.772 93.826 148.307 -25.367 + 92.933 127.402 141.504 -42.275 + 129.916 -97.119 96.940-102.441 + 92.324 50.175 150.786-105.523 + 90.724 42.468 106.697 -65.667 + 91.817 46.324 153.033 102.655 + 90.676 68.811 137.576-106.698 + 91.122 26.519 135.834-116.903 + 92.676-115.778 102.241 -75.402 + 92.571 148.361 0.000 0.000 + 93.522 47.905 0.000 0.000 + 88.982 50.388 107.353-119.415 + 89.764 41.495 111.437 -77.462 + 94.600-120.563 109.969 -76.602 + 94.561 152.822 0.000 0.000 + 130.383 -82.544 137.041 -72.119 + 117.441-107.828 119.574-127.310 + 120.614-146.741 111.389-111.001 + 92.849 84.961 97.733-102.305 + 93.423 0.000 120.381-130.281 + # 112 total E -8.66879E+01 rmsd from N 0.000 %NC 0.00 1 + 93.939 107.306 143.198 -1.988 + 92.518 157.735 137.793 -24.439 + 90.460 89.222 116.815-109.565 + 89.508 45.466 145.185-109.619 + 89.343 45.942 97.959 -60.895 + 90.238 57.821 127.382 61.673 + 90.237 39.800 140.404-152.502 + 92.178 64.345 129.399-133.345 + 92.672 -39.967 143.018-155.894 + 114.277-158.979 0.000 0.000 + 94.064 45.873 0.000 0.000 + 90.402 48.164 97.858 -96.939 + 90.489 43.040 112.326 -81.411 + 94.452 179.024 113.728 -76.546 + 94.746 122.728 0.000 0.000 + 128.640 -94.794 111.437 -96.032 + 119.029-108.365 122.799-130.941 + 119.856-143.444 110.851-110.029 + 93.396 56.536 99.493-102.715 + 93.344 0.000 113.269 -79.349 + # 113 total E -8.51203E+01 rmsd from N 0.000 %NC 0.00 1 + 93.988 125.093 142.078 -3.921 + 91.383 90.873 133.391 -11.247 + 90.362 51.996 129.908 104.388 + 89.685 40.729 148.665 -91.137 + 89.926 52.773 121.302-130.807 + 89.867 56.799 136.449 47.096 + 89.465 52.721 139.990-142.702 + 89.635 52.231 124.399-137.515 + 91.690-170.919 140.451-121.611 + 95.859 117.682 0.000 0.000 + 107.595 -16.288 0.000 0.000 + 92.791 106.852 95.699 -56.272 + 92.339 107.647 117.230 -76.419 + 92.337 -38.582 114.448 -77.754 + 96.295 89.099 0.000 0.000 + 134.870 -80.344 122.884-117.234 + 120.933-105.701 116.903-122.031 + 119.616-144.690 108.778-107.924 + 92.579 82.227 107.017-122.081 + 93.317 0.000 109.071 -79.947 + # 114 total E -8.40939E+01 rmsd from N 0.000 %NC 0.00 1 + 93.857 117.328 147.120 -13.751 + 91.357 88.176 130.107 -3.359 + 90.185 52.794 93.020 -91.743 + 88.943 45.150 145.523 -95.920 + 88.900 54.996 123.919-139.895 + 89.184 61.490 125.521 36.626 + 89.163 46.862 132.183 -66.887 + 90.570 58.927 133.225-136.583 + 91.882 176.727 142.691-132.051 + 141.592 -46.705 0.000 0.000 + 92.568 51.161 0.000 0.000 + 91.021 53.416 95.610 -96.362 + 92.491 -68.440 108.607 -76.420 + 123.064 -70.272 116.094 -78.658 + 117.870 -33.664 0.000 0.000 + 108.080-105.585 126.554 37.253 + 115.532-114.692 94.579 -84.761 + 113.404-166.332 124.574-133.927 + 93.447 69.888 139.974-167.874 + 93.311 0.000 114.249 -77.043 + # 115 total E -8.49170E+01 rmsd from N 0.000 %NC 0.00 1 + 93.711 27.198 105.910 -80.498 + 92.964 170.204 152.440 -23.300 + 92.359 79.010 175.613-177.540 + 91.803 51.263 139.286 -86.024 + 90.500 43.615 125.640 -79.797 + 90.680 50.667 100.208-128.555 + 90.082 47.156 140.507-161.544 + 90.764 70.436 137.241-131.913 + 91.977-158.238 138.105-124.714 + 95.043 74.815 0.000 0.000 + 92.674 42.711 0.000 0.000 + 90.229 74.791 101.642-100.103 + 90.933 147.483 125.391-142.397 + 93.353 -61.399 114.702 -78.459 + 95.217 60.470 0.000 0.000 + 124.707-102.278 123.062 -42.776 + 118.069-109.369 112.363-114.470 + 116.661-138.075 115.914-119.138 + 93.247 94.717 130.906-154.949 + 93.212 0.000 106.725 -76.591 + # 116 total E -8.95271E+01 rmsd from N 0.000 %NC 0.00 1 + 93.999 125.577 141.728 -3.040 + 91.444 90.359 137.312 -13.757 + 90.214 48.346 127.784 113.218 + 89.380 43.582 149.646 -92.999 + 89.735 48.472 123.743-132.955 + 89.839 49.333 155.974 34.951 + 90.379 43.091 137.467-137.268 + 92.365 72.852 131.775-135.788 + 91.149 -65.988 138.161-117.806 + 108.043 -56.522 0.000 0.000 + 115.317 -52.664 0.000 0.000 + 93.187 83.225 139.009-166.206 + 92.696 112.405 112.639 -76.768 + 93.749 -72.035 134.804-160.094 + 96.904 82.799 0.000 0.000 + 131.750 -88.511 136.934 -39.912 + 120.439-108.756 118.678-122.547 + 120.213-139.963 113.201-113.642 + 93.296 68.677 99.153-103.732 + 93.320 0.000 112.444 -78.654 + # 117 total E -9.14048E+01 rmsd from N 0.000 %NC 0.00 1 + 93.863 103.676 146.554 -11.014 + 91.405 72.158 139.082 -38.499 + 91.182 46.208 122.960 120.890 + 90.144 45.178 146.912 -94.508 + 89.923 46.666 117.442-122.476 + 91.018 45.676 156.348 14.811 + 90.953 46.055 135.285-139.496 + 92.206 74.468 137.004-129.642 + 90.319 -68.674 129.317-137.116 + 106.187 -70.513 0.000 0.000 + 99.211 -24.370 0.000 0.000 + 93.643 104.005 133.626-156.024 + 93.827 90.389 116.712 -75.960 + 125.108 -93.776 119.410 -77.698 + 94.953 86.670 0.000 0.000 + 132.835 -70.055 138.084-112.499 + 119.469-111.935 107.682-112.989 + 121.007-149.264 112.933-112.572 + 93.012 86.829 103.407-110.075 + 93.432 0.000 118.757-132.497 + # 118 total E -8.53196E+01 rmsd from N 0.000 %NC 0.00 1 + 118.441 -80.488 109.243 -78.001 + 116.630-105.688 144.790 -36.176 + 91.146 56.989 129.298 102.576 + 89.888 44.013 141.543 -92.725 + 89.761 47.261 122.717-103.447 + 90.012 53.653 128.783 30.013 + 90.062 35.726 139.695 175.787 + 92.293 61.404 128.300-130.993 + 92.144 -57.397 134.982-112.382 + 121.419 -65.841 0.000 0.000 + 119.429 -21.614 0.000 0.000 + 111.263 163.571 82.956 -77.558 + 93.952 82.406 124.799 71.496 + 116.761 -39.669 120.365 -76.486 + 94.727 85.314 0.000 0.000 + 115.458 -73.312 114.147-116.536 + 119.580-110.907 118.254-124.778 + 119.044-139.940 108.719-107.994 + 93.216 73.582 99.141-105.393 + 93.323 0.000 112.084 -78.382 + # 119 total E -8.85579E+01 rmsd from N 0.000 %NC 0.00 1 + 115.830 -50.712 110.294 -81.901 + 91.776 80.585 131.050 -28.868 + 91.845 43.069 98.113 -81.716 + 91.059 43.729 148.195 -95.921 + 90.116 42.869 117.454-118.644 + 90.808 50.174 163.777 28.450 + 90.620 46.303 132.061-163.111 + 92.007 74.854 135.232-130.505 + 90.408 -64.668 131.096-136.847 + 102.769 -65.729 0.000 0.000 + 98.517 -32.923 0.000 0.000 + 92.825 104.282 139.839-168.804 + 94.488 102.978 113.080 -77.249 + 123.186 -95.598 119.261 -77.380 + 94.697 80.124 0.000 0.000 + 129.943 -69.706 128.755 -91.980 + 119.018-108.612 109.768-113.961 + 118.889-138.749 110.719-111.582 + 117.323-118.171 126.214-134.457 + 121.787 0.000 121.468 -80.915 + # 120 total E -8.35052E+01 rmsd from N 0.000 %NC 0.00 1 + 93.861 122.334 148.377 -9.380 + 91.365 83.495 125.954 -18.445 + 90.924 47.159 92.426 -87.592 + 90.883 41.918 151.799-102.728 + 90.135 45.639 120.426-117.695 + 90.776 50.877 126.746 97.181 + 90.116 61.582 138.365-131.120 + 90.760 32.523 135.186-132.456 + 93.345-113.225 144.029-124.393 + 94.315 132.111 0.000 0.000 + 107.138 5.181 0.000 0.000 + 99.463-176.190 93.107 -94.104 + 122.256 179.948 144.221-156.159 + 121.834 -60.421 115.646 -82.174 + 113.791 -12.079 0.000 0.000 + 112.771 -80.875 109.407 -54.431 + 117.618-110.383 115.553-119.348 + 117.837-135.781 117.330-121.389 + 93.325 89.969 130.674-153.520 + 93.246 0.000 108.759 -76.920 + # 121 total E -8.45512E+01 rmsd from N 0.000 %NC 0.00 1 + 93.757 -9.903 101.149 -82.671 + 116.403 174.142 152.159 -13.585 + 92.405 66.585 133.596 119.424 + 90.669 42.371 152.454 -98.017 + 90.269 49.894 103.746 -43.446 + 90.854 40.172 149.013 96.804 + 91.029 64.729 131.680-113.622 + 91.228 31.770 134.782-109.808 + 93.143-119.764 106.886 -80.433 + 93.909 145.438 0.000 0.000 + 128.337 -38.169 0.000 0.000 + 98.903 168.939 96.376 -94.570 + 93.476 126.884 130.992 173.437 + 113.483 -69.169 115.367 -80.540 + 95.459 82.501 0.000 0.000 + 132.427 -82.883 100.547 -62.443 + 119.508-105.002 119.529-124.642 + 119.202-141.494 110.249-110.247 + 93.275 75.355 101.940-113.974 + 93.315 0.000 111.057 -79.112 + # 122 total E -8.81043E+01 rmsd from N 0.000 %NC 0.00 1 + 118.986 -91.150 108.811 -78.042 + 112.584-169.313 152.400 -16.691 + 93.048 70.652 133.679 113.207 + 89.865 41.794 151.441 -93.682 + 90.160 48.812 99.893 -65.236 + 90.591 49.313 156.137 43.191 + 90.513 44.099 135.048-138.302 + 92.269 69.136 131.878-135.540 + 91.459 -71.639 137.923-112.910 + 109.614 -50.620 0.000 0.000 + 120.318 -58.929 0.000 0.000 + 93.410 76.404 139.485-167.024 + 93.208 111.422 113.322 -76.566 + 94.296 -74.225 135.823-160.234 + 97.045 86.136 0.000 0.000 + 131.141 -83.757 139.333 -53.147 + 120.881-112.444 108.840-110.212 + 119.097-140.964 117.255-120.340 + 93.375 66.655 101.255-100.961 + 93.321 0.000 112.968 -78.428 + # 123 total E -8.52616E+01 rmsd from N 0.000 %NC 0.00 1 + 93.718 22.806 104.068 -79.755 + 92.889 173.369 144.180 -27.919 + 91.797 84.973 144.414-103.818 + 90.910 47.251 142.493-116.235 + 90.338 46.049 124.194 -84.121 + 89.758 54.673 101.841-131.920 + 89.881 52.640 141.251-140.923 + 90.896 75.925 131.770-134.273 + 92.214-103.423 138.189-114.585 + 137.204 -76.025 0.000 0.000 + 94.365 37.461 0.000 0.000 + 92.328 53.425 97.995 -96.865 + 92.967 -49.704 114.246 -76.210 + 130.724-173.937 116.312 -78.053 + 114.055 156.044 0.000 0.000 + 127.544 -80.086 122.675-123.153 + 114.615-104.024 125.967-137.414 + 120.560-143.591 108.611-105.983 + 93.227 63.200 101.953-112.828 + 93.332 0.000 112.725 -79.082 + # 124 total E -8.83930E+01 rmsd from N 0.000 %NC 0.00 1 + 93.869 107.558 146.470 -10.744 + 91.420 74.989 141.948 -36.150 + 90.985 45.564 124.697 122.857 + 90.636 47.459 148.092 -98.364 + 89.963 42.807 121.550-120.515 + 91.012 61.731 167.105-112.250 + 89.935 38.267 145.910-148.302 + 91.951 78.569 100.007-107.037 + 92.565 -59.689 142.833-120.107 + 121.710 -23.250 0.000 0.000 + 119.019 -47.520 0.000 0.000 + 96.636 -39.991 94.286 -92.149 + 91.107 111.990 140.832 -38.123 + 94.867 24.532 113.050 -80.088 + 96.170 66.149 0.000 0.000 + 122.627 -81.436 112.595-129.108 + 116.546-108.799 123.225-133.937 + 114.163-134.649 100.674 -83.285 + 93.492 82.172 128.838-150.767 + 93.281 0.000 111.339 -77.125 + # 125 total E -8.37792E+01 rmsd from N 0.000 %NC 0.00 1 + 116.484-171.050 151.050 -20.943 + 118.120-111.344 142.000 -26.169 + 91.234 65.327 119.881 122.493 + 88.849 44.930 149.382 -96.001 + 88.951 52.332 110.644 -87.725 + 88.946 45.822 160.051 102.841 + 90.101 61.607 139.319 -94.364 + 90.339 33.132 136.149-133.668 + 92.721-116.333 107.280 -79.939 + 94.416 150.156 0.000 0.000 + 132.385 -51.453 0.000 0.000 + 92.130 67.452 98.969-100.947 + 91.281 100.074 108.377 -77.446 + 92.518 41.792 115.214 -80.911 + 95.739 83.931 0.000 0.000 + 122.768 -88.964 88.773 -62.355 + 118.048-108.727 121.304-128.413 + 118.691-141.850 109.498-108.892 + 93.126 72.054 105.320-113.852 + 93.316 0.000 111.801 -78.797 + # 126 total E -8.54077E+01 rmsd from N 0.000 %NC 0.00 1 + 93.863 126.903 149.860 -3.665 + 91.447 89.994 131.650 -12.094 + 89.712 52.594 96.661 -81.746 + 89.953 41.600 148.258-106.856 + 90.205 44.045 126.124-127.125 + 91.047 48.547 130.109 92.551 + 90.565 67.879 134.970-136.572 + 90.434 92.398 132.670-121.062 + 92.144 -49.308 104.120 -82.981 + 96.468 91.396 0.000 0.000 + 128.200 -26.707 0.000 0.000 + 113.570-144.952 95.837 -72.212 + 96.868 164.818 116.343 -76.465 + 128.045-161.425 122.051 -79.979 + 94.726 63.878 0.000 0.000 + 118.682 -84.966 142.620 -36.614 + 119.673-165.244 111.521-113.743 + 117.213-149.344 115.815-115.942 + 93.722 85.133 131.196-155.286 + 93.294 0.000 111.880 -77.043 + # 127 total E -8.42402E+01 rmsd from N 0.000 %NC 0.00 1 + 93.757 101.086 149.589 -24.998 + 92.998 121.303 149.120 -38.845 + 131.700 -93.797 91.885 -96.599 + 92.056 57.013 142.504-102.942 + 89.895 41.954 122.561 -64.386 + 90.328 73.414 118.518 -37.288 + 90.525 41.112 143.293 -48.614 + 91.721 73.792 84.667 -82.782 + 92.650 -97.819 137.482-124.095 + 94.304 119.445 0.000 0.000 + 119.799 -8.293 0.000 0.000 + 91.756 67.330 96.307 -79.980 + 90.268 92.484 110.957 -78.725 + 94.263 -42.068 118.426-134.781 + 97.160 92.115 0.000 0.000 + 125.037 -79.712 116.819-133.072 + 120.254-112.656 115.674-120.459 + 120.344-140.405 112.299-112.469 + 93.179 60.678 95.322 -92.058 + 93.345 0.000 111.329 -80.646 + # 128 total E -8.61186E+01 rmsd from N 0.000 %NC 0.00 1 + 93.871 120.261 147.135 -11.118 + 91.362 85.718 128.629 -15.343 + 90.817 45.692 92.722 -87.738 + 90.284 45.612 146.932 -97.119 + 90.077 42.771 120.936-127.905 + 90.982 48.499 144.801 23.272 + 90.346 44.075 131.660-159.717 + 91.876 75.029 136.855-133.668 + 90.582 -95.747 137.600-122.512 + 95.628 53.595 0.000 0.000 + 151.573 -71.397 0.000 0.000 + 129.261 161.817 104.761 -96.369 + 93.913 78.891 111.360 -79.094 + 120.329 -47.059 123.894 -79.636 + 95.746 93.845 0.000 0.000 + 125.020 -80.236 117.891-114.887 + 120.879-111.142 115.754-120.926 + 118.391-138.517 106.176-105.860 + 117.548-118.919 125.424-134.720 + 121.863 0.000 121.668 -80.953 + # 129 total E -8.49815E+01 rmsd from N 0.000 %NC 0.00 1 + 93.909 123.636 146.077 -7.006 + 91.491 85.202 133.280 -22.194 + 90.443 48.292 95.975 -90.452 + 88.862 45.490 154.086-101.368 + 89.095 50.218 125.259-124.937 + 89.101 47.473 153.465 98.504 + 90.106 64.799 140.960-110.875 + 90.428 30.921 135.107-131.630 + 92.982-115.641 109.481 -80.483 + 94.412 148.070 0.000 0.000 + 134.980 -50.213 0.000 0.000 + 91.793 59.752 97.909-102.332 + 90.308 72.847 111.699 -78.088 + 92.012 47.231 114.394 -83.451 + 94.239 71.068 0.000 0.000 + 112.024 -68.849 81.340 -71.158 + 116.688-107.433 119.976-127.499 + 119.842-145.838 110.191-109.451 + 93.882 51.193 94.916-105.605 + 93.414 0.000 129.578-142.473 + # 130 total E -8.55634E+01 rmsd from N 0.000 %NC 0.00 1 + 93.856 117.782 147.444 -12.821 + 91.359 85.318 127.283 -11.820 + 90.660 47.441 91.894 -90.836 + 90.361 45.350 146.149 -95.970 + 89.929 42.965 121.233-128.906 + 90.856 48.391 134.057 25.564 + 90.754 47.216 132.810-165.372 + 91.457 41.472 137.591-132.616 + 93.302-173.075 114.282 -86.618 + 122.876 169.237 0.000 0.000 + 122.845 -39.698 0.000 0.000 + 92.466 65.377 86.031 -86.615 + 93.363 146.077 112.219 -80.098 + 95.734 18.596 121.809-174.997 + 97.110 67.517 0.000 0.000 + 126.608 -66.740 117.291 -66.160 + 113.975-100.934 116.795-124.802 + 122.972-152.113 112.668-110.711 + 92.984 65.752 97.235-108.845 + 93.345 0.000 108.392 -82.700 + # 131 total E -8.55765E+01 rmsd from N 0.000 %NC 0.00 1 + 93.784 101.033 149.518 -19.354 + 92.059 134.474 118.310 -45.213 + 90.771 57.085 86.218 -95.417 + 89.450 41.961 147.766 -96.906 + 89.363 52.173 124.518-147.134 + 89.992 46.832 139.236 28.055 + 90.522 45.476 139.487-108.590 + 92.096 76.027 131.525-136.575 + 92.539-111.694 137.663-124.570 + 95.029 112.360 0.000 0.000 + 132.034 -42.567 0.000 0.000 + 115.436-152.042 130.427-140.776 + 126.795 178.658 151.915-103.257 + 121.947 -91.633 116.898 -79.717 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133.908 -18.305 + 91.436 41.993 129.029 110.470 + 90.154 47.633 143.970 -90.523 + 89.728 43.627 119.576-130.614 + 90.280 53.575 132.020 30.676 + 90.289 34.863 140.507 176.703 + 92.354 58.689 129.201-131.580 + 92.222 -59.062 133.553-109.130 + 123.603 -64.145 0.000 0.000 + 123.380 -7.767 0.000 0.000 + 115.630 176.960 81.886 -80.610 + 92.766 89.676 111.756 -71.817 + 93.854 5.733 115.129 -76.193 + 120.957 -22.479 0.000 0.000 + 128.040 -85.761 88.707 -63.481 + 116.910-106.965 113.975-117.892 + 119.263-139.900 111.184-113.459 + 93.189 79.418 102.989-108.973 + 93.300 0.000 111.316 -78.079 + # 134 total E -8.64118E+01 rmsd from N 0.000 %NC 0.00 1 + 94.008 127.675 142.108 0.693 + 91.403 88.912 136.589 -18.957 + 90.807 46.644 121.162 107.014 + 90.157 43.667 151.146 -94.073 + 90.202 48.144 119.775-127.178 + 90.791 52.801 125.305 33.357 + 90.015 41.122 141.355-120.067 + 91.251 61.890 128.548-136.531 + 93.151-176.871 137.749-115.828 + 94.864 153.988 0.000 0.000 + 120.255 -3.314 0.000 0.000 + 100.726-158.280 98.454-106.331 + 125.065 175.736 134.068 138.396 + 96.690 -66.502 112.631 -79.813 + 94.634 41.018 0.000 0.000 + 116.438 -84.208 136.968 48.530 + 120.697-168.297 108.358-106.544 + 123.586-143.810 117.851-119.500 + 93.517 74.199 133.038-156.456 + 93.306 0.000 112.981 -77.495 + # 135 total E -8.70395E+01 rmsd from N 0.000 %NC 0.00 1 + 93.973 125.828 143.276 -3.123 + 91.469 91.253 135.379 -17.612 + 90.951 45.986 124.104 97.835 + 89.628 47.332 142.610 -89.955 + 89.543 45.035 121.978-133.860 + 89.741 55.346 123.537 25.117 + 89.919 36.770 146.997 173.569 + 91.954 63.350 127.719-133.087 + 92.201 -55.102 135.781-115.595 + 122.199 -63.133 0.000 0.000 + 121.795 -32.836 0.000 0.000 + 111.720 161.085 89.465 -77.672 + 93.285 81.487 135.131 122.635 + 120.003 -42.885 117.738 -77.300 + 94.632 87.574 0.000 0.000 + 116.160 -64.740 120.735-113.888 + 118.960-109.914 116.289-122.742 + 119.933-135.840 107.904-106.427 + 118.430-118.867 118.980-124.833 + 121.916 0.000 121.574 -81.105 + # 136 total E -8.44319E+01 rmsd from N 0.000 %NC 0.00 1 + 93.840 98.163 148.397 -7.151 + 93.026 168.608 129.481 -32.010 + 111.489 172.701 124.492-120.323 + 124.940 168.172 159.966 -86.843 + 91.774 72.284 132.225-127.282 + 92.189 125.360 98.549 -74.391 + 91.149 74.105 145.710 -95.770 + 90.874 107.618 105.771-122.578 + 91.323 -19.557 134.634-131.352 + 98.335 -73.022 0.000 0.000 + 96.275 -18.324 0.000 0.000 + 92.998 105.162 133.816-157.969 + 93.364 128.772 134.718-116.292 + 121.020 -89.959 115.298 -89.429 + 95.617 48.003 0.000 0.000 + 124.341 -86.573 145.616 -47.695 + 117.595-110.544 121.501-130.451 + 124.099-152.181 113.828-110.963 + 92.911 73.711 106.691-113.439 + 93.328 0.000 110.187 -80.313 + # 137 total E -8.55201E+01 rmsd from N 0.000 %NC 0.00 1 + 93.906 124.535 146.491 -6.030 + 91.319 85.584 127.548 -19.417 + 91.089 47.608 95.765 -83.359 + 91.330 41.254 153.028-102.342 + 90.630 43.940 120.048-116.538 + 91.438 52.035 126.277 93.887 + 90.224 67.069 136.276-133.511 + 90.553 28.746 134.424-130.905 + 93.273-113.456 142.288-115.387 + 94.036 133.107 0.000 0.000 + 110.322 5.123 0.000 0.000 + 93.405 113.061 89.120 -87.307 + 92.461 87.410 109.470 -78.351 + 94.875 14.590 114.015 -78.035 + 98.637 80.339 0.000 0.000 + 133.155 -87.404 164.065 -95.069 + 119.712-113.620 109.534-113.020 + 119.033-141.984 114.235-115.485 + 93.330 70.833 104.322-103.770 + 93.313 0.000 112.958 -77.923 + # 138 total E -8.43578E+01 rmsd from N 0.000 %NC 0.00 1 + 93.924 117.154 144.942 5.781 + 92.335 153.426 136.728 -25.006 + 90.996 96.175 129.812-111.659 + 91.043 47.136 144.645-104.072 + 89.952 43.225 88.682 -68.498 + 91.305 75.401 110.169 -57.393 + 90.533 50.522 154.206-159.010 + 91.015 70.459 91.057 -88.975 + 92.366 -80.916 106.513 -81.176 + 95.711 170.361 0.000 0.000 + 143.907 -53.983 0.000 0.000 + 135.531 157.762 104.964 -94.519 + 92.515 125.793 114.169 -76.397 + 125.356 -67.664 128.602-131.682 + 95.185 78.030 0.000 0.000 + 120.162 -78.695 101.387 -74.114 + 125.017-166.925 111.338-111.009 + 110.287-147.376 132.038-146.760 + 93.790 45.780 99.332 -90.439 + 93.373 0.000 114.361 -79.756 + # 139 total E -8.83592E+01 rmsd from N 0.000 %NC 0.00 1 + 93.898 122.210 146.215 -8.928 + 91.281 86.418 128.067 -12.877 + 90.562 49.577 96.311 -90.753 + 89.543 44.378 151.337 -97.434 + 90.003 46.941 123.145-127.576 + 91.145 48.919 121.467 54.718 + 90.632 43.383 128.446-146.363 + 91.662 58.350 133.471-134.525 + 92.680 166.609 139.716-132.252 + 132.419 -84.532 0.000 0.000 + 96.380 23.215 0.000 0.000 + 93.831 58.337 99.120 -96.695 + 92.468 -34.636 117.914 -75.438 + 119.301-112.533 114.937 -78.818 + 95.562 152.259 0.000 0.000 + 118.956 -72.311 147.792 -20.822 + 114.722-113.409 88.032 -86.446 + 116.655-144.643 119.136-123.426 + 93.540 71.929 134.173-159.838 + 93.309 0.000 113.433 -77.374 + # 140 total E -8.66918E+01 rmsd from N 0.000 %NC 0.00 1 + 93.939 93.308 139.425 -19.504 + 93.189 112.407 152.634 -29.975 + 132.711 -97.600 89.364 -98.406 + 91.301 59.292 142.653-102.215 + 89.478 42.293 113.898 -29.167 + 89.079 55.523 148.579 110.063 + 89.424 51.108 147.505 -35.731 + 89.568 41.632 133.738-142.175 + 91.163-118.937 141.130-111.142 + 95.002 123.747 0.000 0.000 + 94.506 40.339 0.000 0.000 + 89.914 54.204 114.407-114.510 + 88.992 92.553 125.950-168.710 + 93.788 -41.608 112.082 -82.394 + 97.913 86.927 0.000 0.000 + 128.980 -85.916 141.386 -69.858 + 121.066-111.673 109.469-111.790 + 117.608-143.702 115.417-117.975 + 93.792 52.914 102.244-108.484 + 93.414 0.000 128.944-142.367 + # 141 total E -8.56952E+01 rmsd from N 0.000 %NC 0.00 1 + 93.940 121.134 143.358 -8.941 + 91.598 88.034 139.292 -17.710 + 91.425 43.702 140.846 113.439 + 90.721 47.036 144.354 -92.741 + 89.759 47.525 122.249-126.931 + 90.012 43.517 150.478 -35.191 + 90.341 54.381 136.018-149.581 + 90.771 42.158 124.046-102.838 + 91.339-115.398 101.798 -81.753 + 93.771 154.472 0.000 0.000 + 92.833 47.016 0.000 0.000 + 89.478 47.942 126.270-149.858 + 90.544 52.589 111.896 -76.754 + 93.205-112.634 112.433 -76.602 + 95.424 157.758 0.000 0.000 + 125.229 -85.909 140.722 -58.960 + 118.459-111.092 115.702-121.912 + 118.395-137.363 109.623-110.340 + 117.753-118.707 124.101-130.347 + 121.859 0.000 121.578 -80.993 + # 142 total E -8.40226E+01 rmsd from N 0.000 %NC 0.00 1 + 93.727 108.637 153.291 -20.001 + 93.020 128.531 137.708 -30.856 + 123.516 -99.009 96.337 -93.815 + 91.718 54.864 145.835-106.044 + 90.192 44.302 121.534 -74.544 + 91.038 46.179 115.775 -28.501 + 90.997 46.849 143.772-102.277 + 92.035 47.292 139.782-134.802 + 93.150-114.470 110.122 -79.914 + 94.467 161.435 0.000 0.000 + 132.145 -37.517 0.000 0.000 + 115.496 177.724 118.550-123.797 + 122.391 179.942 121.689 -79.436 + 96.395 -61.886 114.734 -77.313 + 94.958 165.943 0.000 0.000 + 129.558-108.560 105.553 -90.165 + 117.984-109.629 115.701-122.420 + 118.244-149.256 111.400-111.795 + 93.964 34.617 95.074-104.414 + 93.449 0.000 115.329 -81.806 + # 143 total E -8.52114E+01 rmsd from N 0.000 %NC 0.00 1 + 93.876 123.863 147.903 -7.594 + 91.436 84.145 128.650 -31.281 + 91.664 45.416 94.473 -81.978 + 90.930 42.869 149.809 -99.217 + 90.443 45.267 118.661-115.453 + 91.207 44.914 162.746 34.158 + 90.470 54.951 128.927-143.432 + 91.062 48.950 126.751-106.280 + 92.311-116.730 111.959 -81.899 + 95.316 157.540 0.000 0.000 + 132.807 -56.842 0.000 0.000 + 105.349 173.707 98.703 -91.179 + 94.371 146.577 129.550 154.051 + 112.958 -69.700 114.569 -80.676 + 94.777 67.471 0.000 0.000 + 122.398 -79.173 87.825 -66.817 + 116.610-109.828 120.060-127.677 + 122.258-141.325 112.043-109.174 + 117.678-126.379 118.033-122.202 + 122.843 0.000 123.397 -81.916 + # 144 total E -8.59758E+01 rmsd from N 0.000 %NC 0.00 1 + 93.889 122.860 146.814 -8.607 + 91.344 87.078 126.746 -22.724 + 91.376 46.952 96.317 -87.763 + 90.316 41.643 147.174 -97.286 + 90.575 46.861 116.297-122.753 + 90.863 48.028 136.496 61.818 + 90.099 49.907 129.253-151.632 + 90.809 41.576 135.558-134.142 + 92.566-110.851 136.217-108.202 + 123.864 -82.207 0.000 0.000 + 109.364 -24.860 0.000 0.000 + 91.374 87.513 104.025-105.741 + 92.459 39.543 106.582 -77.683 + 94.510-123.648 114.778 -79.280 + 95.548 123.248 0.000 0.000 + 122.517 -84.416 133.559 -42.590 + 117.572-161.266 112.698-115.412 + 121.002-166.434 128.554-133.683 + 93.617 52.587 94.883 -90.161 + 93.346 0.000 112.916 -79.693 + # 145 total E -8.53606E+01 rmsd from N 0.000 %NC 0.00 1 + 116.786 -84.105 147.540 -34.709 + 91.386 83.545 128.228 -11.292 + 91.047 47.237 98.322 -91.932 + 89.782 45.126 152.509 -96.624 + 90.113 46.715 123.728-125.248 + 91.196 48.585 120.904 62.718 + 90.799 43.292 128.186-144.625 + 91.828 56.131 134.462-134.955 + 93.136-176.759 141.750-133.321 + 133.916 -69.749 0.000 0.000 + 111.410 -6.467 0.000 0.000 + 91.019 72.539 100.938 -97.099 + 90.204 -0.091 107.595 -76.385 + 107.766-135.210 103.607 -75.616 + 94.733 122.598 0.000 0.000 + 120.300 -71.698 140.822 -43.429 + 114.804-131.495 90.694 -82.949 + 106.845-172.561 130.529-146.682 + 93.312 49.825 108.510-107.599 + 93.346 0.000 113.351 -79.388 + # 146 total E -8.43396E+01 rmsd from N 0.000 %NC 0.00 1 + 93.874 114.231 145.199 -16.007 + 91.761 109.065 132.310 -28.555 + 90.493 55.304 95.882 -89.192 + 89.897 42.413 146.760 -95.878 + 90.259 44.341 128.994-135.204 + 90.883 47.192 144.964 111.949 + 90.829 54.042 136.682 -55.206 + 90.872 97.479 134.526-118.000 + 91.850 -57.673 103.760 -83.906 + 96.278 91.984 0.000 0.000 + 138.996 -39.441 0.000 0.000 + 123.026-151.994 116.436-116.694 + 119.126 172.628 120.023 -80.035 + 121.974 -86.133 117.023 -79.322 + 95.011 160.516 0.000 0.000 + 130.841 -80.095 156.509 -90.399 + 117.507-107.245 114.433-120.926 + 119.429-138.690 113.739-113.944 + 93.545 76.905 130.744-153.746 + 93.300 0.000 112.397 -77.491 + # 147 total E -8.67136E+01 rmsd from N 0.000 %NC 0.00 1 + 93.774 86.457 147.647 -27.118 + 92.850 117.706 146.352 -34.644 + 134.096 -94.993 84.824 -98.686 + 91.105 61.219 141.567-108.900 + 89.972 41.762 115.228 -93.555 + 90.564 55.801 152.715 21.456 + 90.860 67.652 136.758 -47.399 + 91.455 103.400 119.851-122.460 + 91.305 -23.012 143.365-137.796 + 99.690 -69.483 0.000 0.000 + 98.639 -23.421 0.000 0.000 + 93.057 102.821 103.938 -97.942 + 93.765 113.616 119.067 -75.872 + 118.404 -92.876 115.872 -85.273 + 94.846 63.563 0.000 0.000 + 130.287 -84.530 101.514 -64.793 + 117.800-109.030 114.071-118.873 + 119.876-137.916 116.737-116.740 + 118.383-118.516 120.183-124.113 + 121.915 0.000 121.453 -81.159 + # 148 total E -8.72465E+01 rmsd from N 0.000 %NC 0.00 1 + 93.740 81.266 105.498 -76.817 + 92.749 121.869 138.620 -45.518 + 128.824 -93.478 90.864-102.201 + 91.316 57.455 141.192-101.857 + 89.958 36.915 116.246 -68.633 + 91.124 55.011 147.464 -32.451 + 90.544 43.835 133.510 156.712 + 91.710 77.768 101.437 -93.869 + 90.613 -61.454 133.036-139.440 + 105.090 -63.669 0.000 0.000 + 98.012 -33.222 0.000 0.000 + 92.665 105.772 108.533 -96.023 + 93.282 107.923 113.345 -77.379 + 117.343 -75.277 118.703 -87.355 + 95.137 80.719 0.000 0.000 + 129.777 -70.124 121.463-124.042 + 118.610-105.897 114.514-120.596 + 118.775-153.224 107.440-106.747 + 92.805 59.205 107.037-122.568 + 93.347 0.000 110.763 -81.179 + # 149 total E -8.61905E+01 rmsd from N 0.000 %NC 0.00 1 + 93.618 101.675 156.521 -31.283 + 93.311 122.499 139.922 -45.305 + 130.995 -99.317 90.619 -99.105 + 92.513 56.832 147.652-107.616 + 91.088 37.219 108.380 -87.398 + 91.665 57.028 152.181 96.866 + 90.484 39.437 145.586-127.057 + 92.391 66.330 133.368-136.770 + 91.108 -67.933 139.133-137.701 + 109.884 -57.226 0.000 0.000 + 107.130 -76.145 0.000 0.000 + 92.321 65.971 134.226-161.606 + 94.258 136.061 113.878 -76.522 + 124.171 -96.191 119.006 -85.297 + 95.513 67.595 0.000 0.000 + 132.295 -86.773 109.898 -56.097 + 117.898-102.096 124.865-133.080 + 118.449-142.132 111.466-111.532 + 93.208 54.908 99.924-112.140 + 93.356 0.000 112.664 -80.211 + # 150 total E -8.60309E+01 rmsd from N 0.000 %NC 0.00 1 + 93.916 129.593 147.499 -6.485 + 107.835-175.994 139.298 -26.834 + 109.772-167.205 116.209-124.875 + 90.206 53.489 145.214-102.993 + 89.242 43.014 113.722 -94.188 + 90.852 56.489 146.185 -27.140 + 90.130 40.260 137.307-161.065 + 91.634 74.072 99.153 -97.285 + 90.894 -55.089 133.635-138.517 + 109.982 -72.235 0.000 0.000 + 102.025 -26.289 0.000 0.000 + 92.942 100.521 140.157-168.221 + 93.169 103.058 114.616 -78.487 + 122.991 -84.439 134.857-161.669 + 96.045 77.335 0.000 0.000 + 126.380 -79.811 139.553 -95.555 + 119.418-111.854 114.984-120.221 + 120.681-137.771 109.847-109.175 + 117.655-118.713 123.410-128.042 + 121.880 0.000 121.573 -81.040 + # 151 total E -8.33415E+01 rmsd from N 0.000 %NC 0.00 1 + 93.920 124.689 145.772 -5.564 + 91.401 86.143 129.038 -22.836 + 91.833 46.244 98.033 -86.384 + 90.900 40.491 150.513 -96.741 + 90.474 48.793 116.851-116.717 + 91.478 50.676 128.669 57.780 + 90.366 45.966 130.309-145.000 + 91.371 50.410 131.130-134.971 + 93.176 166.123 141.254-116.820 + 95.315 60.336 0.000 0.000 + 125.855 -39.461 0.000 0.000 + 114.057-149.714 126.649-135.011 + 131.191-171.029 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134.934 0.000 0.000 + 133.304 -38.443 0.000 0.000 + 93.730 84.694 99.212-100.512 + 124.303-105.997 121.220 -76.580 + 127.489 -86.802 121.269 -80.003 + 119.398-175.264 0.000 0.000 + 127.209 -88.072 110.634-128.597 + 119.400-112.046 117.307-122.799 + 120.358-137.647 110.104-108.853 + 117.748-118.805 120.825-126.110 + 121.908 0.000 121.597 -81.080 + # 195 total E -8.63792E+01 rmsd from N 0.000 %NC 0.00 1 + 93.723 98.982 151.755 -25.109 + 92.951 129.609 136.729 -32.995 + 132.187 -97.847 95.263 -97.769 + 92.488 61.579 160.918-151.165 + 90.378 43.980 119.891 -51.729 + 90.377 54.945 122.326 43.373 + 89.912 50.582 134.303-138.716 + 90.329 53.934 131.491-134.283 + 91.570 166.267 141.612-125.164 + 95.405 100.310 0.000 0.000 + 132.976 -52.377 0.000 0.000 + 93.687 77.685 132.440-155.835 + 93.978 -55.047 117.001 -75.851 + 131.048-159.551 125.105 -79.569 + 115.816 172.280 0.000 0.000 + 133.306 -75.048 112.571-124.194 + 117.340-103.948 114.353-121.167 + 117.759-145.728 110.373-110.690 + 93.113 61.215 108.223-126.354 + 93.333 0.000 113.281 -78.792 + # 196 total E -8.88714E+01 rmsd from N 0.000 %NC 0.00 1 + 93.809 55.187 146.296 -24.772 + 93.495 177.120 138.178 -50.802 + 111.668 166.363 110.684 -64.711 + 90.162 75.017 124.935-113.996 + 89.492 51.429 104.021-106.620 + 89.732 55.312 123.889 37.407 + 90.288 38.234 143.361-171.988 + 92.218 65.539 129.310-132.683 + 92.033 -65.781 136.619-127.006 + 118.673 -55.476 0.000 0.000 + 119.359 -46.723 0.000 0.000 + 113.273 107.580 133.551-146.502 + 93.068 109.186 115.714 -76.393 + 130.554-101.932 113.771 -83.089 + 95.201 70.871 0.000 0.000 + 127.243 -85.038 113.794-106.642 + 115.924-115.168 88.557 -87.255 + 119.508-143.032 117.819-119.763 + 92.681 71.849 131.943-154.581 + 93.330 0.000 109.509 -80.977 + # 197 total E -8.75237E+01 rmsd from N 0.000 %NC 0.00 1 + 93.937 121.105 143.601 -9.196 + 91.550 88.593 134.566 -15.133 + 91.216 43.449 138.069 109.774 + 90.543 48.800 142.732 -90.197 + 89.804 45.609 122.420-132.569 + 90.052 46.978 143.574 -21.789 + 90.726 45.017 138.939-161.916 + 92.292 62.207 137.284-131.252 + 91.751-104.512 112.112 -77.445 + 94.515 135.985 0.000 0.000 + 125.046 -40.547 0.000 0.000 + 110.277-166.429 86.815 -69.364 + 92.403 80.871 138.622-113.421 + 92.317 -85.355 110.018 -76.907 + 94.633 165.256 0.000 0.000 + 125.920 -69.166 149.257 -33.937 + 117.893-108.086 112.289-115.240 + 119.015-139.128 120.081-123.072 + 93.373 69.555 100.437-105.862 + 93.319 0.000 112.718 -78.294 + # 198 total E -8.55803E+01 rmsd from N 0.000 %NC 0.00 1 + 93.969 108.326 141.411 -2.340 + 92.404 151.626 139.114 -21.930 + 90.252 89.880 99.152 -94.253 + 88.799 45.101 148.222-110.624 + 89.406 47.715 95.577 -59.263 + 90.563 48.085 127.466 63.513 + 90.294 47.855 137.733-111.879 + 90.750 50.975 133.516-136.901 + 92.094 172.613 141.924-126.309 + 94.915 136.356 0.000 0.000 + 125.184 -31.439 0.000 0.000 + 93.936 82.352 97.096 -98.334 + 125.283-104.951 122.273 -75.326 + 129.859 -89.462 122.490 -80.554 + 127.715-172.190 0.000 0.000 + 127.285 -88.415 110.809-109.052 + 118.893-108.400 126.447-137.389 + 113.466-136.516 98.521 -85.916 + 93.051 86.202 104.301-112.916 + 93.271 0.000 109.835 -77.491 + # 199 total E -8.33463E+01 rmsd from N 0.000 %NC 0.00 1 + 93.892 122.435 146.593 -8.774 + 91.301 85.712 128.232 -14.656 + 90.786 46.817 94.124 -86.370 + 90.389 44.385 150.499-100.134 + 90.258 43.762 120.725-125.928 + 91.335 49.363 134.375 29.902 + 90.304 45.271 132.622-144.575 + 92.155 79.759 135.892-133.304 + 91.067 -96.142 140.659-130.780 + 95.760 49.487 0.000 0.000 + 145.863 -72.588 0.000 0.000 + 127.952 165.038 113.462-110.010 + 93.881 87.260 108.287 -74.771 + 139.259-179.346 125.066 -84.257 + 93.886 66.196 0.000 0.000 + 107.576 -66.050 71.850 -73.386 + 115.107-107.469 120.539-128.328 + 119.446-140.505 113.472-113.291 + 93.318 51.461 95.537-100.970 + 93.370 0.000 111.790 -81.424 + # 200 total E -8.80601E+01 rmsd from N 0.000 %NC 0.00 1 + 93.739 111.582 152.847 -19.319 + 93.056 123.646 131.754 -38.419 + 127.474 -95.755 94.494 -91.283 + 91.516 55.068 144.378-114.546 + 89.842 41.917 123.896 -89.878 + 90.079 66.563 117.540 -28.361 + 89.985 43.830 154.443-150.333 + 90.869 74.981 83.819 -77.727 + 91.763 -77.116 138.277-120.542 + 95.834 171.611 0.000 0.000 + 142.218 -53.265 0.000 0.000 + 132.254 157.147 107.496-101.272 + 92.857 104.128 113.608 -76.082 + 127.914 -55.589 119.930 -82.230 + 95.565 82.115 0.000 0.000 + 120.155 -81.154 117.612 -57.419 + 122.416-163.352 116.362-119.533 + 110.317-165.856 136.768-153.956 + 94.195 29.163 90.577 -80.186 + 93.431 0.000 116.281 -80.262 diff --git a/examples/unres/CSA/GAB/CSA/global/unrestrained/1l2y_csa.CSA.bank1 b/examples/unres/CSA/GAB/CSA/global/unrestrained/1l2y_csa.CSA.bank1 new file mode 100644 index 0000000..6a3be4d --- /dev/null +++ b/examples/unres/CSA/GAB/CSA/global/unrestrained/1l2y_csa.CSA.bank1 @@ -0,0 +1,4202 @@ + 0 + jlee = 1 nbank = 200 nstep = 40569 353.74693 + # 1 total E -8.81150E+01 rmsd from N 0.000 %NC 0.00 0 + 93.990 118.584 140.326 -7.307 + 91.447 79.488 147.399 -18.868 + 89.250 52.101 115.986 -64.212 + 89.454 42.823 166.971-160.578 + 89.375 48.178 133.527-105.287 + 89.322 58.803 120.573 29.222 + 89.262 58.460 142.194-136.251 + 88.646 47.455 116.823-126.356 + 91.012 170.968 137.578-112.669 + 95.592 99.745 0.000 0.000 + 130.936 -52.670 0.000 0.000 + 93.989 81.424 132.410-155.639 + 94.658 -58.171 118.772 -76.349 + 134.616-159.400 126.317 -80.337 + 116.750 174.153 0.000 0.000 + 131.456 -83.154 111.847-127.276 + 118.942-109.491 115.303-120.605 + 119.281-138.861 109.907-109.156 + 93.135 79.732 104.378-114.504 + 93.299 0.000 111.237 -78.065 + # 2 total E -8.67267E+01 rmsd from N 0.000 %NC 0.00 0 + 93.826 104.792 146.988 -19.144 + 93.135 126.135 140.527 -27.567 + 123.723 -90.073 90.173 -93.684 + 91.194 54.643 146.338-117.578 + 90.307 38.839 122.346 -96.930 + 90.864 63.979 119.179 -19.508 + 90.004 49.209 144.424 -56.551 + 89.892 79.206 83.959 -79.055 + 91.589 0.004 137.710-123.700 + 108.600 -88.987 0.000 0.000 + 116.395 -53.390 0.000 0.000 + 92.339 74.412 100.283 -95.978 + 93.112 143.227 113.018 -76.987 + 93.170 -74.286 124.754-139.596 + 94.396 52.975 0.000 0.000 + 131.643 -78.650 128.072-125.852 + 116.879-106.359 116.292-123.194 + 119.989-152.756 116.905-117.910 + 93.942 32.843 92.493 -98.618 + 93.458 0.000 114.090 -82.928 + # 3 total E -9.08499E+01 rmsd from N 0.000 %NC 0.00 0 + 93.857 122.312 148.545 -9.450 + 91.447 83.359 127.929 -32.555 + 91.864 44.212 92.850 -82.744 + 91.052 43.889 147.668 -99.646 + 90.003 42.858 119.542-113.378 + 90.967 52.580 164.372 10.804 + 90.463 46.072 131.717-166.475 + 91.611 74.437 108.090-102.993 + 90.419 -65.214 129.812-137.858 + 103.314 -66.291 0.000 0.000 + 98.761 -31.870 0.000 0.000 + 92.857 104.217 139.924-168.549 + 94.389 102.541 113.487 -77.138 + 122.736 -95.184 119.902 -77.610 + 94.723 81.064 0.000 0.000 + 130.876 -69.062 129.418 -94.972 + 118.974-107.764 109.607-113.858 + 118.418-139.267 110.478-111.527 + 117.211-118.166 127.230-136.658 + 121.767 0.000 121.486 -80.867 + # 4 total E -8.65042E+01 rmsd from N 0.000 %NC 0.00 0 + 118.428-106.794 152.114 -14.469 + 122.382 170.385 157.117 -10.511 + 92.460 75.536 141.704 88.121 + 90.578 43.539 150.217 -94.604 + 90.230 48.428 117.743 -67.271 + 91.412 48.732 133.010 41.830 + 90.895 39.526 137.836-125.943 + 92.340 59.516 130.951-132.106 + 92.555 -77.681 131.884-129.215 + 122.042 -63.536 0.000 0.000 + 130.483 -38.758 0.000 0.000 + 105.708 -30.484 91.554 -80.720 + 91.808 100.160 114.551 -75.927 + 92.775 10.821 105.654 -79.981 + 123.856 -11.381 0.000 0.000 + 116.976 -74.517 91.422 -59.109 + 115.774-108.128 118.183-121.748 + 119.086-140.941 131.557-140.705 + 92.995 71.190 98.857 -98.071 + 93.410 0.000 126.050-130.920 + # 5 total E -8.59012E+01 rmsd from N 0.000 %NC 0.00 0 + 93.932 110.439 142.804 -9.286 + 91.715 77.780 134.227 -21.411 + 91.890 44.767 99.879 -71.423 + 91.628 38.409 147.988-107.986 + 90.922 44.790 116.429-110.364 + 92.056 45.976 132.489 100.979 + 90.958 76.656 135.785-121.384 + 91.159 18.904 136.023-122.257 + 94.111-112.708 107.102 -79.232 + 93.623 149.374 0.000 0.000 + 140.389 -36.626 0.000 0.000 + 94.078 87.058 88.009 -85.406 + 128.861-114.237 125.172 -82.874 + 128.836 -83.459 122.056 -80.224 + 95.371 166.545 0.000 0.000 + 129.744 -83.473 130.101-124.926 + 118.608-109.641 119.001-126.397 + 120.700-137.121 108.403-106.069 + 93.582 73.662 124.993-145.411 + 93.314 0.000 111.270 -79.006 + # 6 total E -8.41265E+01 rmsd from N 0.000 %NC 0.00 0 + 93.724 96.090 150.832 -27.321 + 92.828 124.386 140.890 -44.174 + 130.287 -94.037 91.611 -98.538 + 92.257 53.660 148.853-109.656 + 91.334 38.215 113.941 -82.030 + 92.370 50.164 155.271 95.129 + 90.971 43.812 139.950-108.147 + 91.978 68.744 140.094-134.528 + 92.657-117.310 139.127-133.677 + 135.826 -69.534 0.000 0.000 + 92.521 49.373 0.000 0.000 + 89.508 49.371 98.578-100.079 + 88.453 59.496 108.564 -76.458 + 91.137 37.770 116.071 -76.656 + 94.401 70.368 0.000 0.000 + 112.305 -58.797 131.589-111.779 + 118.376-106.622 117.876-125.665 + 120.029-140.656 112.646-112.922 + 93.105 54.997 93.909-102.059 + 93.359 0.000 111.800 -80.950 + # 7 total E -8.52861E+01 rmsd from N 0.000 %NC 0.00 0 + 93.707 46.555 109.267 -80.906 + 92.879 168.664 142.601 -25.672 + 91.119 85.177 131.719 -95.468 + 89.602 52.764 146.624-101.648 + 89.285 45.899 109.099 -74.668 + 90.110 54.687 125.904 42.568 + 90.307 39.701 134.877-155.270 + 92.268 63.058 128.723-135.762 + 91.899 -66.383 139.893-124.016 + 115.292 -57.637 0.000 0.000 + 117.459 -55.311 0.000 0.000 + 110.430 164.422 130.941-142.699 + 93.424 72.491 114.598 -77.877 + 93.816 -99.227 110.725 -77.446 + 93.906 148.111 0.000 0.000 + 130.652-111.314 126.208 -70.281 + 117.925-110.280 119.362-126.708 + 120.188-142.334 116.014-116.337 + 93.409 67.219 103.319 -95.018 + 93.321 0.000 112.907 -78.443 + # 8 total E -8.92623E+01 rmsd from N 0.000 %NC 0.00 0 + 93.952 125.444 144.327 -3.866 + 91.304 86.281 127.537 -23.910 + 91.553 44.715 123.659 89.875 + 90.894 43.749 150.495 -94.584 + 90.639 45.223 118.407-120.101 + 91.937 50.447 134.948 32.353 + 90.851 37.650 141.074 -90.929 + 92.295 60.561 131.004-133.228 + 92.822 -75.844 129.379-134.452 + 126.296 -67.647 0.000 0.000 + 136.127 -32.305 0.000 0.000 + 109.063 -30.724 91.807 -81.320 + 90.635 93.773 129.778 141.142 + 91.586 2.122 103.728 -80.081 + 118.857 -12.339 0.000 0.000 + 129.510 -73.276 127.423 -59.160 + 121.190-147.800 110.218-110.301 + 121.373-108.804 112.773-113.211 + 118.296-118.579 116.846-120.919 + 121.884 0.000 121.496 -81.088 + # 9 total E -8.39389E+01 rmsd from N 0.000 %NC 0.00 0 + 93.711 46.092 108.921 -80.657 + 93.139 168.374 139.385 -37.084 + 105.938 170.994 116.181 -75.527 + 91.797 61.518 140.587-106.775 + 90.064 43.113 114.813-108.066 + 91.752 53.535 132.991 34.884 + 90.671 37.185 144.854-119.617 + 92.304 63.011 129.981-134.205 + 91.960 -72.153 130.485-131.621 + 119.384 -66.571 0.000 0.000 + 130.960 -41.850 0.000 0.000 + 106.175 -28.903 92.475 -83.908 + 91.470 97.554 130.149 135.334 + 91.780 5.977 106.718 -79.293 + 119.572 -12.186 0.000 0.000 + 128.212 -77.123 100.271 -58.050 + 116.744-106.447 119.043-123.478 + 118.135-115.438 141.533-154.397 + 118.398-118.579 116.663-121.276 + 121.887 0.000 121.492 -81.096 + # 10 total E -8.41036E+01 rmsd from N 0.000 %NC 0.00 0 + 93.788 52.862 146.966 -26.610 + 92.888 170.368 140.973 -22.873 + 91.569 84.978 132.859 109.571 + 88.007 49.057 147.128 -93.165 + 88.590 51.527 84.848 -66.453 + 89.061 47.227 159.797 103.262 + 90.010 62.773 142.246 -98.528 + 90.256 31.941 135.058-131.795 + 92.845-115.848 106.586 -79.756 + 94.435 149.839 0.000 0.000 + 132.921 -52.010 0.000 0.000 + 92.201 66.163 96.882 -97.485 + 91.320 97.185 107.810 -76.727 + 92.544 40.840 115.779 -81.473 + 95.663 80.774 0.000 0.000 + 122.019 -89.066 84.051 -64.410 + 118.516-109.710 120.131-126.347 + 118.662-138.240 112.223-112.437 + 93.112 81.195 103.492-103.496 + 93.296 0.000 110.570 -78.366 + # 11 total E -8.37064E+01 rmsd from N 0.000 %NC 0.00 0 + 118.290-161.337 146.504 -15.550 + 117.578-108.173 144.812 -35.218 + 91.326 58.748 134.008 113.471 + 90.163 45.113 142.087 -95.092 + 89.483 44.365 118.161 -90.607 + 90.314 57.180 149.147 7.729 + 90.350 41.765 137.257 164.479 + 91.775 69.763 100.860-103.098 + 92.344 -85.962 135.794-117.650 + 94.350 166.995 0.000 0.000 + 150.614 -39.605 0.000 0.000 + 89.702 52.560 131.605-161.232 + 90.120 49.493 109.679 -79.640 + 93.605-106.868 110.214 -78.529 + 96.585 142.254 0.000 0.000 + 124.046 -82.831 132.523 -56.934 + 118.046-109.974 118.708-125.697 + 118.910-140.324 109.727-110.159 + 93.221 71.451 102.522-103.323 + 93.314 0.000 112.272 -78.417 + # 12 total E -8.49507E+01 rmsd from N 0.000 %NC 0.00 0 + 93.895 123.668 145.574 -14.488 + 112.209 178.104 149.267 -19.621 + 123.036 -82.256 122.837-126.809 + 90.614 65.598 147.079 -95.027 + 89.652 41.487 98.754 -83.886 + 89.836 60.689 124.760-128.590 + 89.973 46.077 141.602 -46.354 + 91.706 97.515 131.373-139.123 + 91.686 -12.586 145.182-113.300 + 103.758 -72.133 0.000 0.000 + 99.376 -18.023 0.000 0.000 + 93.528 95.682 99.353 -96.000 + 117.974 132.123 121.383 -79.571 + 94.836 -78.979 111.953 -79.344 + 93.958 65.732 0.000 0.000 + 133.094 -78.025 133.936-117.904 + 119.814-107.799 114.041-119.052 + 119.215-139.303 117.325-118.453 + 93.179 78.574 102.529-111.031 + 93.303 0.000 111.143 -78.372 + # 13 total E -8.61962E+01 rmsd from N 0.000 %NC 0.00 0 + 93.874 120.821 147.156 -10.236 + 91.299 84.402 124.145 -17.509 + 90.909 48.166 94.047 -89.577 + 90.378 42.993 150.530 -96.450 + 90.245 45.374 116.856-125.734 + 90.941 51.919 128.555 54.552 + 89.945 52.198 132.345-150.179 + 90.155 42.557 134.067-135.109 + 92.070 168.023 141.057-123.531 + 96.424 102.166 0.000 0.000 + 137.342 -73.878 0.000 0.000 + 123.841 -69.503 107.567-103.615 + 89.992 82.396 124.036 157.194 + 92.262 16.941 111.396 -78.839 + 114.558 -27.351 0.000 0.000 + 126.891 -82.665 153.950 -29.277 + 119.419-113.260 109.547-111.270 + 116.476-140.159 130.824-141.262 + 114.633-117.619 141.823-155.715 + 121.561 0.000 121.392 -80.514 + # 14 total E -8.52436E+01 rmsd from N 0.000 %NC 0.00 0 + 93.883 122.050 146.930 -9.714 + 91.321 87.283 128.797 -15.102 + 90.790 47.492 95.638 -88.502 + 89.923 44.077 147.152 -95.649 + 90.435 43.596 122.415-126.954 + 91.312 44.758 126.769 81.408 + 90.694 48.305 129.499-153.869 + 90.623 57.157 141.260-133.356 + 90.961-156.897 143.160-147.317 + 95.044 100.573 0.000 0.000 + 93.496 44.007 0.000 0.000 + 90.080 47.214 101.727 -65.158 + 90.334 93.359 134.296-117.684 + 94.558 -45.288 114.273 -80.404 + 97.360 90.337 0.000 0.000 + 127.981 -82.262 124.882-123.972 + 119.686-109.495 122.237-131.321 + 113.511-116.064 97.529 -85.226 + 92.853 69.967 102.152-107.744 + 93.411 0.000 123.667-133.604 + # 15 total E -8.51081E+01 rmsd from N 0.000 %NC 0.00 0 + 93.959 109.532 139.719 -15.705 + 93.194 102.217 146.898 -28.249 + 125.593-111.237 95.667 -96.037 + 92.779 61.075 146.810-116.795 + 90.788 32.217 108.131 -39.468 + 91.719 57.909 149.443 105.126 + 90.797 70.613 153.900-171.075 + 89.344 89.778 125.294-118.928 + 92.392 -44.745 106.981 -95.044 + 97.569 83.923 0.000 0.000 + 133.198 -56.072 0.000 0.000 + 134.042 166.838 99.544 -86.068 + 129.414 161.049 121.452 -80.654 + 118.396 -80.302 113.013 -79.220 + 94.470 61.178 0.000 0.000 + 124.669 -78.877 84.317 -66.290 + 116.276-110.084 118.558-125.414 + 120.845-141.437 110.585-109.005 + 92.586 96.550 103.073-110.540 + 93.342 0.000 111.377-110.157 + # 16 total E -8.64422E+01 rmsd from N 0.000 %NC 0.00 0 + 93.857 102.597 146.716 -11.570 + 91.514 76.925 142.818 -32.151 + 91.716 43.960 167.472 14.798 + 90.699 48.451 138.747 -80.886 + 89.842 43.372 115.481-127.593 + 89.927 53.804 121.638 -72.050 + 89.715 53.754 146.798 175.612 + 90.159 68.109 135.148-133.759 + 91.755-149.096 140.207-127.626 + 95.481 74.219 0.000 0.000 + 92.749 45.421 0.000 0.000 + 89.940 58.147 83.973 -89.577 + 90.399 156.129 113.685 -76.057 + 92.348 -62.502 117.298-161.159 + 94.989 64.761 0.000 0.000 + 132.839 -98.723 66.683 -80.440 + 120.659-160.263 111.171-113.561 + 116.463-169.199 114.799-118.079 + 93.807 35.473 101.188 -96.405 + 93.379 0.000 116.051 -78.691 + # 17 total E -8.59538E+01 rmsd from N 0.000 %NC 0.00 0 + 93.827 104.482 146.454 -22.186 + 93.172 114.534 143.837 -28.164 + 128.973 -98.654 92.640 -95.293 + 91.411 62.800 145.203-110.683 + 89.983 40.979 117.896 -99.516 + 90.056 61.591 127.348 37.132 + 89.589 42.012 142.572-161.221 + 91.335 65.441 128.127-138.074 + 91.143 -63.701 142.067-136.601 + 113.559-174.372 0.000 0.000 + 92.951 49.694 0.000 0.000 + 89.405 55.466 96.970 -97.348 + 88.874 37.168 112.086 -79.999 + 93.883-131.316 108.544 -73.373 + 94.332 152.346 0.000 0.000 + 134.363-107.216 145.265 -76.289 + 118.998-110.449 114.445-120.166 + 121.679-162.897 115.200-115.129 + 93.853 50.205 98.633 -99.737 + 93.408 0.000 130.706-136.270 + # 18 total E -8.45210E+01 rmsd from N 0.000 %NC 0.00 0 + 93.953 127.191 144.969 -1.089 + 91.167 86.647 130.454 -2.872 + 89.814 51.649 100.272 -86.348 + 90.195 44.262 159.196 -98.332 + 90.282 42.493 127.898-133.920 + 92.095 55.901 126.800 92.808 + 91.791 176.571 137.226-138.467 + 93.399 100.005 129.314-115.182 + 120.345-113.776 110.476 -81.914 + 95.981 77.603 0.000 0.000 + 93.519 45.885 0.000 0.000 + 90.425 60.157 88.620 -86.690 + 90.373 139.876 113.694 -77.491 + 91.776 -72.920 115.687-150.684 + 94.486 52.111 0.000 0.000 + 129.378 -97.473 110.923 -52.863 + 117.196-111.000 116.391-121.205 + 117.284-119.430 116.366-116.842 + 93.277 86.087 132.259-155.901 + 93.206 0.000 107.610 -76.511 + # 19 total E -8.61206E+01 rmsd from N 0.000 %NC 0.00 0 + 93.898 123.071 146.459 -8.052 + 91.257 86.247 126.609 -15.821 + 90.816 47.288 97.119 -90.113 + 89.868 44.624 150.273 -97.572 + 90.350 45.515 122.731-125.381 + 91.480 46.071 124.856 68.781 + 91.064 43.687 127.436-144.731 + 91.771 48.766 137.212-133.376 + 93.023-142.626 136.256-127.949 + 128.925 -71.833 0.000 0.000 + 107.791 -17.034 0.000 0.000 + 91.825 87.093 100.956 -96.613 + 91.338 14.445 109.293 -77.127 + 95.538-125.737 106.249 -76.511 + 94.776 146.046 0.000 0.000 + 126.530 -82.524 154.949 -18.589 + 117.771-108.928 112.437-116.521 + 119.258-139.831 111.768-112.072 + 116.714-118.093 130.733-141.216 + 121.730 0.000 121.490 -80.782 + # 20 total E -8.63547E+01 rmsd from N 0.000 %NC 0.00 0 + 117.661-172.276 145.473 -17.583 + 117.422-109.496 147.783 -37.913 + 91.420 54.836 131.249 95.347 + 90.722 41.093 146.410 -93.652 + 90.675 48.516 123.271-123.577 + 91.523 47.830 135.391 34.031 + 91.011 39.280 141.615-113.785 + 92.487 58.276 130.747-131.573 + 93.095 -76.040 134.179-137.607 + 126.707 -66.732 0.000 0.000 + 136.309 -31.927 0.000 0.000 + 107.805 -31.703 91.131 -79.308 + 91.158 95.913 114.031 -75.218 + 92.697 7.197 103.021 -80.950 + 123.434 -10.079 0.000 0.000 + 122.001 -67.929 115.460 -61.290 + 118.810-138.300 108.440-108.331 + 126.303-169.905 120.350-121.900 + 93.332 56.964 93.798 -94.616 + 93.341 0.000 112.040 -80.041 + # 21 total E -8.59369E+01 rmsd from N 0.000 %NC 0.00 0 + 93.848 109.625 147.243 -13.346 + 91.654 82.672 132.367 -21.970 + 93.047 37.996 174.353 177.918 + 90.948 52.415 131.914 -82.427 + 89.603 47.506 117.017-130.821 + 89.436 54.674 111.613 -56.948 + 89.868 42.952 154.044-173.639 + 92.704 69.222 129.596-135.205 + 91.791 -58.793 151.529-130.368 + 109.995 -68.968 0.000 0.000 + 102.409 -26.438 0.000 0.000 + 93.132 104.760 135.531-161.843 + 94.002 78.711 113.220 -77.149 + 94.285 -89.174 110.519 -76.410 + 93.200 163.412 0.000 0.000 + 141.506 -92.841 72.488 -68.762 + 114.435-103.235 117.713-129.123 + 120.513-141.428 106.870-103.901 + 116.737-118.907 131.172-143.857 + 121.820 0.000 121.697 -80.854 + # 22 total E -8.68956E+01 rmsd from N 0.000 %NC 0.00 0 + 93.979 115.212 140.619 -8.075 + 91.572 78.292 143.327 -17.987 + 89.764 52.198 112.994 -68.621 + 89.868 38.660 163.550-148.364 + 89.506 49.015 114.211 -22.560 + 89.399 53.284 137.279 89.834 + 89.958 56.059 139.749-121.695 + 91.091 65.921 130.449-135.485 + 92.653 -99.175 147.334-157.131 + 142.007 -76.252 0.000 0.000 + 93.668 44.200 0.000 0.000 + 91.992 55.713 97.251 -96.767 + 93.025 -60.356 112.255 -72.986 + 129.702-158.464 124.373 -81.182 + 119.374 164.538 0.000 0.000 + 127.014 -83.118 116.382-128.382 + 118.642-110.413 114.745-119.950 + 119.364-139.567 110.879-110.475 + 93.164 76.853 104.021-113.698 + 93.304 0.000 111.645 -78.204 + # 23 total E -8.66679E+01 rmsd from N 0.000 %NC 0.00 0 + 93.971 121.646 142.995 -8.512 + 91.591 89.447 139.002 -15.870 + 91.192 44.779 140.001 112.131 + 90.529 46.423 144.078 -93.172 + 89.748 47.941 122.980-128.489 + 89.976 42.962 151.719 -27.151 + 90.405 54.839 136.223-150.218 + 90.726 43.143 125.385-103.749 + 91.234-116.725 101.957 -81.557 + 93.848 153.226 0.000 0.000 + 92.910 46.664 0.000 0.000 + 89.702 48.391 125.633-148.767 + 90.738 53.979 111.923 -76.833 + 93.177-113.394 111.737 -76.793 + 95.061 154.472 0.000 0.000 + 126.044 -84.231 136.627 -61.123 + 117.399-111.561 115.310-121.696 + 118.946-162.011 111.512-112.694 + 93.293 72.257 101.314-106.832 + 93.416 0.000 124.566-136.341 + # 24 total E -9.07614E+01 rmsd from N 0.000 %NC 0.00 0 + 93.954 125.226 144.117 -4.171 + 91.301 86.551 128.224 -22.545 + 91.425 44.851 126.145 93.962 + 90.397 45.103 149.883 -93.022 + 90.336 45.461 117.915-125.861 + 91.588 49.328 134.193 29.824 + 90.985 38.452 142.868-108.960 + 92.506 59.038 132.639-132.987 + 92.889 -71.960 135.325-141.960 + 126.946 -68.369 0.000 0.000 + 136.328 -32.214 0.000 0.000 + 107.422 -31.464 90.962 -80.483 + 91.370 96.173 112.965 -74.544 + 92.311 9.814 104.566 -80.295 + 124.422 -8.787 0.000 0.000 + 127.393 -66.660 117.710 -65.682 + 109.608-164.060 95.932 -90.230 + 129.298-142.739 111.611-109.082 + 92.417 85.253 95.798 -99.108 + 93.306 0.000 107.012 -81.019 + # 25 total E -8.76398E+01 rmsd from N 0.000 %NC 0.00 0 + 93.796 113.543 147.996 -23.951 + 114.224 173.463 143.452 -32.067 + 119.432 165.476 103.125 -76.377 + 91.030 54.170 132.973-112.628 + 89.723 48.840 89.127 -69.534 + 90.336 68.341 154.736 -93.286 + 90.302 49.575 144.679 -48.297 + 91.407 99.289 107.656-123.032 + 91.651 -26.784 144.221-125.422 + 102.074 -72.110 0.000 0.000 + 98.697 -23.154 0.000 0.000 + 93.613 104.815 133.774-157.428 + 93.874 111.698 118.455 -75.336 + 125.521 -99.197 117.118 -88.846 + 96.154 63.126 0.000 0.000 + 129.990 -78.036 151.785 -14.287 + 115.115-112.324 91.363 -88.129 + 117.898-145.786 117.673-120.859 + 93.529 65.175 128.875-152.569 + 93.335 0.000 111.119 -80.300 + # 26 total E -8.64394E+01 rmsd from N 0.000 %NC 0.00 0 + 93.813 77.555 147.303 -20.785 + 91.893 82.737 152.028-138.335 + 90.234 85.262 128.963 -40.604 + 89.501 61.229 136.409-101.428 + 89.638 43.901 98.370 -99.837 + 90.415 60.153 146.523 35.995 + 90.134 61.053 138.122 -51.356 + 90.561 106.686 130.283-141.555 + 91.166 -21.269 144.934 -47.496 + 100.268 -73.700 0.000 0.000 + 99.253 -21.311 0.000 0.000 + 93.218 102.143 133.423-156.326 + 93.847 120.410 119.112 -75.154 + 121.598 -95.001 117.213 -87.529 + 95.544 52.727 0.000 0.000 + 129.973 -81.432 93.752 -79.127 + 118.345-114.254 112.755-117.103 + 122.434-144.749 114.740-114.370 + 92.528 77.221 100.732 -97.401 + 93.325 0.000 108.834 -80.935 + # 27 total E -8.43986E+01 rmsd from N 0.000 %NC 0.00 0 + 94.008 120.465 140.440 10.548 + 92.140 154.481 144.746 -31.568 + 91.793 99.781 140.938-107.331 + 90.872 50.122 130.488 -83.416 + 88.866 48.803 134.382-140.749 + 88.351 56.724 91.246-144.787 + 89.050 59.420 147.303 -33.884 + 88.754 33.340 130.252-140.624 + 91.562-118.445 102.855 -76.968 + 94.991 128.097 0.000 0.000 + 95.150 40.680 0.000 0.000 + 91.077 66.852 108.677-104.516 + 89.307 108.432 121.349-126.386 + 92.648 -56.896 109.597-136.709 + 96.207 89.211 0.000 0.000 + 134.051 -84.495 114.798 -61.579 + 126.013-162.289 113.343-112.700 + 120.349-129.432 125.601-129.550 + 93.803 55.021 92.068 -89.026 + 93.364 0.000 113.405 -79.896 + # 28 total E -8.61493E+01 rmsd from N 0.000 %NC 0.00 0 + 93.706 90.844 151.163 -29.594 + 92.962 125.351 144.622 -34.058 + 125.737-100.584 93.117-100.918 + 91.668 60.926 144.607-104.366 + 89.960 43.183 113.931 -60.615 + 90.272 50.931 116.827 -42.034 + 90.372 51.681 149.148-132.850 + 90.748 44.333 87.718 -65.817 + 92.549-113.475 107.817 -81.600 + 94.592 157.723 0.000 0.000 + 128.206 -41.079 0.000 0.000 + 113.070-172.235 125.341-134.265 + 94.765 176.103 134.691 162.591 + 127.323 -49.846 125.052-156.499 + 96.332 87.500 0.000 0.000 + 126.598 -86.962 99.814-107.899 + 119.926-110.740 114.954-119.975 + 117.079-148.067 114.688-117.168 + 93.707 61.946 94.501 -97.451 + 93.408 0.000 128.609-134.008 + # 29 total E -8.57427E+01 rmsd from N 0.000 %NC 0.00 0 + 93.935 124.681 144.506 -10.110 + 109.881 171.332 143.261 -29.604 + 118.124 167.671 102.137 -74.412 + 90.735 67.204 129.329-113.339 + 89.890 56.656 123.032-126.095 + 89.776 62.046 117.064 4.121 + 90.391 28.430 148.340-134.407 + 93.140 68.876 132.207-135.024 + 92.874 -39.553 137.010-115.338 + 126.315 -87.254 0.000 0.000 + 142.399 -28.355 0.000 0.000 + 107.439 -23.798 95.345 -88.007 + 91.668 96.596 121.895 152.159 + 91.553 0.621 106.035 -78.005 + 115.036 -17.096 0.000 0.000 + 131.499 -74.202 139.985 -71.357 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139.656 -88.455 + 91.162 34.564 119.154-133.059 + 91.954 60.157 107.972 -80.653 + 90.339 49.288 143.858-173.076 + 91.315 75.931 134.754-129.485 + 91.475 -78.349 104.775 -73.670 + 95.736 168.567 0.000 0.000 + 137.459 -60.004 0.000 0.000 + 131.202 159.640 102.172 -92.917 + 93.714 97.544 114.774 -76.513 + 94.749 -17.350 114.331 -77.384 + 127.949 -31.111 0.000 0.000 + 125.151 -83.731 104.898 -54.993 + 116.557-107.382 116.980-121.984 + 117.514-142.774 110.847-112.668 + 93.549 82.194 106.390-106.906 + 93.289 0.000 112.647 -76.536 + # 32 total E -8.62107E+01 rmsd from N 0.000 %NC 0.00 0 + 93.998 125.263 141.615 -3.521 + 91.458 91.404 135.707 -13.205 + 90.130 50.606 129.866 108.321 + 89.714 42.637 149.129 -94.492 + 89.729 49.829 123.954-132.365 + 90.409 45.971 125.297 18.975 + 90.390 51.686 136.521-127.512 + 90.753 44.010 136.332-134.197 + 92.403-159.045 113.041 -85.097 + 95.141 70.430 0.000 0.000 + 121.029 -72.548 0.000 0.000 + 115.646 144.526 129.784-139.671 + 94.144 74.966 108.783 -76.737 + 138.928-113.050 123.718 -86.121 + 94.676 73.078 0.000 0.000 + 125.796 -70.065 116.014-107.112 + 116.706-107.681 118.830-127.521 + 121.431-145.495 108.273-105.902 + 92.519 57.802 102.778-114.190 + 93.362 0.000 108.440 -83.496 + # 33 total E -8.62294E+01 rmsd from N 0.000 %NC 0.00 0 + 93.951 124.326 143.876 -5.723 + 91.476 89.515 132.076 -19.674 + 91.771 46.747 128.668 84.715 + 89.692 45.361 145.253 -94.798 + 89.726 53.684 119.709-127.543 + 90.179 59.903 116.992 22.694 + 89.896 34.096 147.295-134.438 + 92.897 75.791 130.986-134.761 + 92.868 -49.944 141.605-126.928 + 119.740 -72.082 0.000 0.000 + 120.747 -69.240 0.000 0.000 + 93.276 58.860 135.567-164.830 + 95.241 57.804 112.634 -75.820 + 95.282 -10.137 143.295 -57.500 + 139.692 -21.560 0.000 0.000 + 133.179 -69.416 129.550 -67.587 + 118.887-107.244 117.933-124.203 + 123.308-146.806 106.799-104.258 + 92.839 65.222 97.600-104.090 + 93.342 0.000 109.510 -81.722 + # 34 total E -8.53515E+01 rmsd from N 0.000 %NC 0.00 0 + 119.864-104.474 104.477 -73.602 + 113.912-110.774 142.341 -35.519 + 91.406 61.594 128.343 111.029 + 90.138 43.542 146.977 -95.678 + 90.136 47.469 120.643-113.835 + 90.872 47.143 137.754 26.129 + 90.617 45.104 136.385-141.886 + 91.678 66.723 134.501-133.275 + 91.635 -79.588 132.127-131.354 + 122.149 -89.802 0.000 0.000 + 119.321 -38.396 0.000 0.000 + 92.858 73.126 135.350-161.639 + 92.960 92.184 112.144 -76.367 + 129.123-105.083 118.648 -85.363 + 94.896 77.359 0.000 0.000 + 130.771 -62.545 146.403 -58.342 + 117.580-106.495 108.457-111.913 + 121.627-144.872 115.155-114.924 + 93.117 63.099 102.245-114.124 + 93.341 0.000 111.581 -80.103 + # 35 total E -8.62363E+01 rmsd from N 0.000 %NC 0.00 0 + 93.857 91.617 145.834 -15.505 + 91.835 89.636 136.525 -18.213 + 90.375 50.003 106.996 -76.269 + 90.395 39.273 168.848-137.608 + 90.202 46.285 128.938-112.560 + 91.096 45.836 136.090 84.443 + 90.943 45.446 133.233-111.193 + 91.462 47.504 139.630-142.504 + 93.210-169.678 146.769 -21.043 + 93.984 135.587 0.000 0.000 + 130.730 -37.289 0.000 0.000 + 93.654 84.035 98.879-100.476 + 126.051-107.370 121.072 -77.053 + 128.355 -85.614 121.689 -80.185 + 119.731-173.408 0.000 0.000 + 129.115 -84.386 113.721-125.380 + 119.552-109.125 116.859-122.445 + 118.892-137.968 110.583-110.105 + 93.185 83.247 105.807-114.856 + 93.285 0.000 111.023 -77.438 + # 36 total E -8.82155E+01 rmsd from N 0.000 %NC 0.00 0 + 93.893 121.676 146.288 -9.589 + 91.312 86.598 128.216 -13.784 + 90.560 49.253 95.647 -90.393 + 89.743 44.143 150.273 -96.920 + 89.909 46.458 121.446-127.631 + 90.813 50.178 124.503 48.542 + 90.034 46.027 127.721-154.448 + 90.872 57.152 133.311-135.710 + 92.002 170.640 140.869-122.160 + 95.418 103.463 0.000 0.000 + 125.937 -51.261 0.000 0.000 + 110.438 173.432 132.091-145.769 + 121.561 177.417 119.051 -80.685 + 94.646 30.656 115.909 -76.364 + 96.371 70.306 0.000 0.000 + 123.068 -79.000 146.904 -94.639 + 118.529-111.540 108.932-111.227 + 118.358-143.350 115.929-118.114 + 93.529 74.585 133.452-159.000 + 93.305 0.000 113.149 -77.299 + # 37 total E -8.66981E+01 rmsd from N 0.000 %NC 0.00 0 + 93.762 106.272 150.735 -20.794 + 93.104 126.658 139.362 -30.883 + 124.821 -95.707 93.202 -94.342 + 91.393 55.713 144.424-109.867 + 89.938 42.645 121.311 -83.615 + 90.247 55.016 118.065 -28.598 + 89.921 47.928 154.308-118.267 + 90.904 60.084 83.225 -67.556 + 91.959-109.207 113.052 -80.344 + 95.748 157.073 0.000 0.000 + 130.541 -67.859 0.000 0.000 + 110.833 148.652 129.778-142.457 + 92.930 103.813 138.113-168.915 + 94.585 29.570 114.119 -77.825 + 97.034 66.848 0.000 0.000 + 128.851-105.962 140.669-122.501 + 118.159-109.059 117.121-123.954 + 117.239-148.458 112.145-113.422 + 93.819 51.041 100.676-105.681 + 93.416 0.000 128.399-144.273 + # 38 total E -8.72171E+01 rmsd from N 0.000 %NC 0.00 0 + 94.001 128.321 142.765 1.864 + 91.339 90.290 135.081 -14.242 + 89.891 51.176 104.040 -79.096 + 90.058 41.196 155.301-101.821 + 90.407 41.846 126.083-124.781 + 91.305 49.386 130.567 96.934 + 90.586 69.539 139.256-130.863 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117.102-123.623 + 121.219-137.618 107.313-103.825 + 92.452 91.292 104.162-112.646 + 93.246 0.000 107.611 -77.647 + # 40 total E -9.03375E+01 rmsd from N 0.000 %NC 0.00 0 + 115.829 -50.889 110.339 -82.046 + 91.789 80.805 132.645 -28.639 + 91.977 42.237 99.992 -82.546 + 91.072 43.930 147.085 -94.071 + 90.179 42.542 117.753-118.615 + 90.776 49.703 163.238 36.050 + 90.607 46.296 133.272-167.349 + 92.044 75.509 136.221-130.407 + 90.252 -65.111 132.343-135.801 + 102.209 -65.611 0.000 0.000 + 97.978 -33.380 0.000 0.000 + 92.855 104.739 140.375-169.682 + 94.441 103.959 113.281 -77.217 + 121.991 -96.530 118.692 -77.573 + 94.678 79.454 0.000 0.000 + 130.376 -69.142 126.610 -88.898 + 118.887-109.939 107.334-110.730 + 118.109-160.511 112.245-114.143 + 93.732 57.949 103.340-113.714 + 93.417 0.000 125.573-142.713 + # 41 total E -8.73809E+01 rmsd from N 0.000 %NC 0.00 0 + 93.898 120.518 145.604 -10.702 + 91.523 88.209 132.106 -16.465 + 90.440 49.166 91.885 -84.250 + 89.886 43.007 148.211 -97.039 + 90.395 44.911 121.351-127.179 + 91.089 47.117 150.137 40.606 + 90.726 43.827 131.356-145.875 + 92.164 70.690 136.126-134.791 + 90.853 -67.216 137.666-114.958 + 111.042 -62.759 0.000 0.000 + 116.300 -60.789 0.000 0.000 + 92.710 66.430 135.045-161.942 + 93.066 96.022 113.387 -76.399 + 93.587 -36.997 111.018 -80.866 + 114.997 -24.401 0.000 0.000 + 125.841 -84.773 79.669 -67.252 + 117.080-111.192 118.051-124.334 + 120.614-107.357 114.539-111.383 + 92.932 79.797 92.291-103.345 + 93.237 0.000 106.924 -78.667 + # 42 total E -8.56434E+01 rmsd from N 0.000 %NC 0.00 0 + 93.705 33.886 108.026 -81.090 + 92.849 163.363 140.949 -19.080 + 91.497 80.745 142.207 95.533 + 90.944 40.553 150.689 -96.526 + 90.007 49.516 127.359 -60.563 + 90.996 51.978 129.011 35.504 + 90.405 40.867 138.949-134.641 + 91.923 61.511 127.710-132.786 + 92.111 -70.951 131.837-132.793 + 118.705 -60.816 0.000 0.000 + 129.077 -44.932 0.000 0.000 + 104.792 -31.169 93.431 -86.838 + 91.624 99.180 122.340 142.828 + 92.361 9.589 107.933 -79.652 + 118.326 -7.429 0.000 0.000 + 129.293 -76.653 96.448 -56.950 + 117.197-105.071 124.519-131.343 + 119.437-111.191 109.365-109.132 + 117.966-118.961 115.747-121.489 + 121.952 0.000 121.546 -81.211 + # 43 total E -8.68702E+01 rmsd from N 0.000 %NC 0.00 0 + 93.879 121.836 147.046 -10.353 + 91.278 90.015 128.837 -9.684 + 90.698 48.248 97.358 -90.005 + 88.335 49.039 142.643 -95.840 + 88.797 57.443 125.954-141.500 + 89.102 49.789 116.187 51.825 + 90.094 45.338 140.471 -89.840 + 91.753 64.526 127.847-137.028 + 93.072-165.064 142.578-141.636 + 138.051 -55.339 0.000 0.000 + 94.017 48.135 0.000 0.000 + 92.086 52.925 96.011 -96.038 + 93.624 -61.935 109.494 -77.090 + 122.818-100.826 118.557 -79.664 + 115.969 170.362 0.000 0.000 + 129.792-104.609 114.996 -49.470 + 115.901-109.286 120.015-127.789 + 120.727-152.100 111.041-109.985 + 93.133 56.108 101.807-105.465 + 93.352 0.000 111.350 -80.973 + # 44 total E -8.75454E+01 rmsd from N 0.000 %NC 0.00 0 + 93.855 113.203 145.230 -14.656 + 91.719 89.291 136.959 -12.075 + 91.524 44.020 176.063 173.500 + 89.289 47.372 133.118 -84.344 + 88.905 51.080 119.269-136.192 + 88.432 52.328 117.008 -46.766 + 89.620 44.101 158.330-171.107 + 92.075 71.509 127.991-135.529 + 91.153 -57.364 145.026-122.566 + 110.095 -70.280 0.000 0.000 + 102.230 -24.296 0.000 0.000 + 93.142 105.315 135.764-161.036 + 93.592 91.040 114.342 -76.431 + 94.875 -95.180 116.268 -72.354 + 95.022 114.494 0.000 0.000 + 131.940 -75.841 154.612 -16.292 + 119.183-106.938 105.009-104.012 + 118.652-138.345 108.752-108.387 + 93.733 77.975 124.405-146.970 + 93.314 0.000 111.814 -78.084 + # 45 total E -8.56921E+01 rmsd from N 0.000 %NC 0.00 0 + 93.899 122.696 146.282 -8.542 + 91.249 88.708 130.281 -6.081 + 90.068 51.218 96.724 -88.866 + 89.315 44.177 149.904-100.292 + 90.081 44.975 126.871-135.649 + 90.721 51.101 128.141 74.614 + 90.710 38.290 134.616-145.044 + 92.730 64.553 130.731-134.350 + 92.475 -43.776 142.915-149.617 + 116.571-156.035 0.000 0.000 + 92.937 46.052 0.000 0.000 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total E -8.78005E+01 rmsd from N 0.000 %NC 0.00 0 + 93.841 119.047 148.369 -13.733 + 91.422 89.552 130.868 -10.770 + 91.600 39.455 90.599 -81.314 + 90.357 54.549 130.669 -82.400 + 88.987 52.039 125.408-139.698 + 88.838 48.503 111.448 -45.234 + 89.817 47.501 165.791-154.072 + 90.242 52.390 133.649-134.689 + 91.666-175.132 137.614-123.670 + 94.795 70.833 0.000 0.000 + 93.418 44.184 0.000 0.000 + 89.703 49.272 96.332 -80.787 + 89.961 77.330 117.398 -79.391 + 92.967 24.137 113.173 -78.331 + 96.696 65.718 0.000 0.000 + 128.244 -89.699 131.208 -87.182 + 117.762-108.211 119.773-127.564 + 118.149-144.770 110.707-111.377 + 93.232 59.387 102.737-103.232 + 93.343 0.000 112.280 -79.911 + # 48 total E -8.76999E+01 rmsd from N 0.000 %NC 0.00 0 + 118.691 -89.252 110.039 -80.098 + 112.145-167.168 153.295 -15.898 + 93.557 68.973 139.713 116.130 + 90.215 47.367 146.790 -96.075 + 89.607 45.910 116.434 -74.996 + 90.622 51.187 157.535 -10.051 + 90.595 41.224 133.572-167.562 + 91.892 72.519 102.280 -97.704 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118.759-141.426 113.069-113.817 + 93.167 72.335 104.763-113.535 + 93.316 0.000 111.998 -78.620 + # 50 total E -8.51112E+01 rmsd from N 0.000 %NC 0.00 0 + 93.895 122.231 146.358 -9.124 + 91.388 87.442 130.074 -15.109 + 90.493 49.615 95.386 -87.516 + 89.942 42.876 149.924 -98.379 + 90.397 44.925 126.839-119.025 + 90.615 51.052 149.724 44.629 + 90.523 40.089 133.301-149.722 + 92.146 92.070 131.445-136.213 + 91.739 -16.117 145.870 -42.216 + 105.068 -73.121 0.000 0.000 + 94.841 -13.262 0.000 0.000 + 95.357 159.317 98.221 -95.891 + 94.361 149.059 109.855 -80.508 + 92.542 43.864 115.944 -77.647 + 95.179 80.118 0.000 0.000 + 110.566 -65.479 122.626 -56.691 + 119.477-108.317 118.553-124.078 + 119.438-135.266 111.909-112.135 + 93.520 56.212 95.096-103.228 + 93.342 0.000 114.558 -78.396 + # 51 total E -8.68763E+01 rmsd from N 0.000 %NC 0.00 0 + 93.695 96.048 153.568 -25.164 + 92.930 136.981 145.358 -25.029 + 125.142 -90.958 90.092-102.489 + 91.354 55.856 148.014-109.756 + 89.856 42.852 111.189 -33.048 + 90.752 46.721 163.523 114.732 + 90.844 58.989 135.785 -56.858 + 91.423 35.866 140.044-125.974 + 93.048-114.936 105.243 -79.449 + 93.347 150.619 0.000 0.000 + 125.372 -22.136 0.000 0.000 + 92.665 77.876 82.827 -86.715 + 92.157 108.584 113.591 -76.917 + 93.520 21.093 114.443 -78.741 + 96.999 77.860 0.000 0.000 + 128.662 -85.729 135.177 -98.295 + 119.257-111.622 113.191-118.212 + 118.803-146.747 113.264-114.511 + 93.738 39.999 94.733 -98.990 + 93.414 0.000 113.706 -81.685 + # 52 total E -8.60856E+01 rmsd from N 0.000 %NC 0.00 0 + 93.807 115.922 149.528 -16.379 + 93.046 112.704 138.357 -34.288 + 133.122-107.606 96.125 -88.655 + 92.891 69.748 132.763-123.010 + 90.881 53.558 119.219 -23.240 + 91.218 71.822 96.779 -64.292 + 91.659 155.883 160.962-115.370 + 92.148 93.835 130.846-125.268 + 91.778 -68.566 104.335 -83.121 + 94.673 165.089 0.000 0.000 + 136.045 -53.208 0.000 0.000 + 113.938 178.555 121.506-128.164 + 93.964 113.365 114.688 -77.273 + 114.788 -94.289 115.966 -80.121 + 96.102 86.948 0.000 0.000 + 132.530 -82.382 88.309 -64.037 + 116.894-107.645 119.114-124.983 + 120.812-117.737 111.018-109.956 + 93.102 76.004 95.420-111.367 + 93.286 0.000 109.635 -78.935 + # 53 total E -8.50248E+01 rmsd from N 0.000 %NC 0.00 0 + 93.889 121.171 146.502 -9.910 + 91.341 86.258 128.368 -14.903 + 90.968 47.555 94.718 -89.383 + 90.140 43.898 148.483 -95.782 + 89.976 45.810 119.571-126.282 + 90.659 52.132 131.779 46.450 + 89.789 44.783 129.348-161.848 + 90.614 57.350 131.421-134.669 + 92.189 177.323 139.615-121.059 + 95.854 150.526 0.000 0.000 + 126.932 -32.374 0.000 0.000 + 93.609 84.720 93.316 -86.094 + 135.847-105.387 119.238 -77.609 + 115.558 -59.094 116.436 -79.091 + 95.049 72.540 0.000 0.000 + 122.290 -94.060 74.264 -72.570 + 122.749-165.213 126.500-133.695 + 97.050-171.632 101.622 -92.512 + 93.793 80.343 130.878-158.022 + 93.314 0.000 113.185 -77.229 + # 54 total E -8.42727E+01 rmsd from N 0.000 %NC 0.00 0 + 93.958 127.909 144.987 0.285 + 91.399 87.448 137.923 -32.702 + 91.891 44.588 118.861 101.591 + 90.333 45.293 147.114 -93.351 + 90.519 42.812 118.287-124.659 + 92.496 97.297 155.458 114.270 + 92.358 -54.566 144.051 -50.745 + 92.948 93.853 126.682-108.734 + 93.025 10.003 89.418 -94.888 + 119.943-150.277 0.000 0.000 + 134.844 -39.162 0.000 0.000 + 105.265 -29.065 95.428 -84.086 + 91.468 98.431 115.059 -76.049 + 92.409 -1.074 108.498 -78.722 + 117.771 -24.447 0.000 0.000 + 125.009 -81.847 96.182-114.118 + 118.820-116.536 112.783-116.424 + 118.322-162.014 120.993-125.345 + 93.210 62.640 103.809-100.625 + 93.335 0.000 111.841 -79.850 + # 55 total E -8.54389E+01 rmsd from N 0.000 %NC 0.00 0 + 93.712 47.568 108.980 -80.546 + 93.133 168.290 139.675 -37.639 + 105.224 172.189 116.526 -75.493 + 91.955 62.570 140.735-106.526 + 90.126 41.953 115.847-111.808 + 91.819 54.026 133.508 34.840 + 90.660 37.077 144.970-123.734 + 92.251 62.618 130.681-134.330 + 91.873 -72.616 130.614-130.888 + 119.325 -66.575 0.000 0.000 + 130.317 -43.136 0.000 0.000 + 105.883 -27.956 92.220 -83.249 + 91.620 97.780 133.033 137.913 + 91.841 5.667 106.546 -79.120 + 119.705 -12.891 0.000 0.000 + 126.351 -76.948 98.419 -58.510 + 116.400-105.254 118.431-122.565 + 118.475-138.207 137.764-147.934 + 93.382 69.209 95.287-104.066 + 93.409 0.000 126.878-130.758 + # 56 total E -8.55081E+01 rmsd from N 0.000 %NC 0.00 0 + 93.892 123.281 145.115 -16.794 + 122.130 178.110 160.550 -9.996 + 93.108 77.065 153.157 107.323 + 91.045 44.341 146.821 -92.360 + 89.591 47.211 129.842 -92.102 + 90.608 54.526 128.659 30.141 + 90.250 36.740 139.907-170.299 + 92.113 59.960 127.482-132.164 + 92.392 -61.107 134.815-112.019 + 123.459 -56.676 0.000 0.000 + 120.933 -17.473 0.000 0.000 + 112.842-142.115 92.609 -81.805 + 128.026-146.235 116.106 -78.250 + 93.981 38.993 115.805 -76.394 + 95.783 61.270 0.000 0.000 + 111.892 -72.235 143.694 -20.841 + 117.965-109.938 110.563-111.798 + 119.322-142.736 113.837-114.620 + 93.157 72.136 107.425-114.639 + 93.308 0.000 112.713 -77.943 + # 57 total E -8.52103E+01 rmsd from N 0.000 %NC 0.00 0 + 93.767 100.497 148.835 -25.323 + 93.188 118.016 142.956 -27.899 + 129.529-102.903 89.815 -96.449 + 91.689 62.568 142.915-109.076 + 90.607 41.486 113.087 -91.018 + 90.659 55.519 141.316 42.779 + 90.127 40.364 140.092-145.567 + 91.659 69.992 131.411-137.674 + 91.800 -40.664 141.374-129.711 + 115.543-156.067 0.000 0.000 + 92.661 47.365 0.000 0.000 + 89.703 49.264 97.785 -97.569 + 89.449 45.569 110.050 -74.224 + 94.225-176.726 112.952 -77.495 + 94.128 116.733 0.000 0.000 + 130.286 -78.457 111.369-100.459 + 118.520-107.707 115.900-122.531 + 120.085-136.848 111.313-110.682 + 118.833-118.460 117.626-121.772 + 121.885 0.000 121.446 -81.117 + # 58 total E -8.42973E+01 rmsd from N 0.000 %NC 0.00 0 + 93.724 89.608 150.350 -28.966 + 92.998 126.165 143.961 -30.711 + 126.054-100.539 93.705-101.437 + 91.662 60.241 145.812-107.294 + 90.039 42.549 113.055 -61.448 + 90.457 50.720 116.465 -41.041 + 90.404 51.616 150.728-130.790 + 90.776 44.551 87.368 -66.078 + 92.489-113.841 107.729 -81.559 + 94.566 156.963 0.000 0.000 + 127.009 -41.008 0.000 0.000 + 111.628-172.625 125.242-134.914 + 94.545 173.262 134.672 168.945 + 126.628 -48.897 125.154-156.548 + 96.387 93.318 0.000 0.000 + 127.767 -87.110 105.697-112.289 + 120.651-110.243 117.272-122.942 + 118.032-136.920 111.654-112.526 + 120.940-104.188 111.232-111.744 + 120.244 0.000 118.431 -79.662 + # 59 total E -8.82703E+01 rmsd from N 0.000 %NC 0.00 0 + 93.706 45.329 109.227 -81.103 + 92.967 173.029 144.820 -19.942 + 92.023 78.528 149.887 108.663 + 89.859 49.155 144.871 -96.738 + 89.334 45.183 115.345 -69.292 + 90.553 52.024 154.846 -13.609 + 90.507 41.641 135.072-166.602 + 91.745 72.778 102.467 -97.533 + 90.892 -59.344 131.008-136.815 + 109.237 -70.240 0.000 0.000 + 101.546 -26.236 0.000 0.000 + 93.001 99.907 138.905-166.144 + 93.081 104.484 115.082 -78.607 + 124.976 -86.531 131.748-156.701 + 95.669 76.273 0.000 0.000 + 125.586 -79.712 136.899 -89.942 + 119.820-110.997 116.167-121.915 + 119.578-134.491 109.393-109.103 + 118.361-118.711 118.900-123.179 + 121.892 0.000 121.547 -81.076 + # 60 total E -8.72372E+01 rmsd from N 0.000 %NC 0.00 0 + 93.885 122.078 146.969 -9.101 + 91.278 84.684 124.449 -19.065 + 91.071 47.239 95.442 -89.469 + 90.376 43.063 150.580 -96.104 + 90.309 45.417 117.200-125.264 + 91.033 50.372 126.611 59.468 + 90.137 50.676 131.875-147.814 + 90.430 43.763 135.253-134.536 + 92.154 165.539 141.275-129.529 + 96.280 102.531 0.000 0.000 + 137.665 -74.019 0.000 0.000 + 123.667 -71.274 107.672-103.897 + 89.976 82.099 123.519 156.160 + 92.244 17.687 111.490 -78.672 + 114.360 -27.439 0.000 0.000 + 127.893 -82.511 151.005 -30.423 + 119.434-116.969 107.452-107.916 + 109.996-170.488 129.841-144.404 + 93.329 51.283 112.901-107.551 + 93.347 0.000 114.040 -78.713 + # 61 total E -8.60141E+01 rmsd from N 0.000 %NC 0.00 0 + 93.892 121.658 146.334 -9.549 + 91.335 86.256 128.704 -14.810 + 90.571 49.258 95.201 -89.727 + 89.583 43.703 150.694 -96.902 + 89.793 47.672 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90.438 60.465 123.374 106.589 + 89.337 47.926 149.520 -91.414 + 90.527 43.910 109.673 -61.065 + 90.532 51.688 152.964 57.384 + 90.412 42.939 138.354-141.791 + 92.108 67.388 134.445-136.575 + 91.010 -67.294 140.602-118.306 + 110.043 -62.941 0.000 0.000 + 112.421 -67.870 0.000 0.000 + 92.233 67.297 131.843-157.724 + 93.206 110.856 113.393 -76.464 + 92.507 -55.667 116.755 -81.769 + 111.007 -25.500 0.000 0.000 + 129.192 -84.467 93.735 -62.720 + 116.096-110.303 116.284-123.575 + 120.389-148.593 109.638-108.518 + 93.611 67.969 103.815-108.283 + 93.315 0.000 114.080 -77.353 + # 75 total E -8.66237E+01 rmsd from N 0.000 %NC 0.00 0 + 93.868 118.596 146.863 -12.525 + 91.287 86.682 131.303 -3.453 + 89.782 50.964 92.818 -90.893 + 89.093 44.359 149.197 -98.825 + 89.388 47.894 126.272-137.448 + 90.390 48.903 130.462 18.888 + 90.117 42.880 133.001-145.221 + 92.306 83.700 132.171-135.430 + 91.411 -91.990 141.495-130.549 + 96.180 53.168 0.000 0.000 + 147.702 -86.501 0.000 0.000 + 119.150 -81.708 109.080-108.713 + 91.016 90.585 133.852-143.210 + 94.187 33.768 107.663 -78.261 + 96.124 72.160 0.000 0.000 + 125.820 -84.019 103.963 -58.479 + 117.150-108.304 115.265-120.010 + 119.085-139.190 113.829-114.188 + 93.548 76.691 131.609-155.083 + 93.300 0.000 112.554 -77.411 + # 76 total E -8.70516E+01 rmsd from N 0.000 %NC 0.00 0 + 93.899 122.586 146.187 -8.327 + 91.533 85.209 138.050 -28.021 + 91.271 47.736 127.570 112.688 + 90.410 41.875 149.675 -95.761 + 90.054 49.617 120.186 -29.848 + 90.283 44.236 164.547 39.702 + 90.270 55.644 135.327-127.560 + 90.704 45.004 136.020-123.570 + 92.051-119.461 110.010 -80.104 + 95.306 154.693 0.000 0.000 + 130.718 -60.943 0.000 0.000 + 101.732 168.601 106.547 -96.565 + 93.803 131.689 129.993-160.396 + 115.829 -73.738 115.551 -80.759 + 95.409 74.619 0.000 0.000 + 129.576 -83.467 92.809 -63.747 + 117.638-107.023 121.097-128.585 + 120.414-136.176 110.718-108.307 + 92.774 88.737 100.629-112.411 + 93.258 0.000 108.367 -77.927 + # 77 total E -8.49045E+01 rmsd from N 0.000 %NC 0.00 0 + 93.733 -7.086 96.264 -84.073 + 92.345 169.721 141.466 -25.073 + 91.926 68.568 118.152 124.115 + 91.283 35.549 153.289 -99.080 + 90.501 51.658 110.862 -28.208 + 90.882 41.275 156.001 105.941 + 90.653 65.663 132.382-101.488 + 90.827 28.523 138.570-121.376 + 92.671-118.372 101.556 -75.142 + 92.912 145.987 0.000 0.000 + 93.453 47.810 0.000 0.000 + 89.252 50.389 103.673-115.957 + 90.082 44.404 111.367 -77.614 + 94.351-117.249 110.077 -76.888 + 94.443 152.917 0.000 0.000 + 130.241 -74.860 138.160 -65.195 + 116.194-105.112 127.009-138.481 + 120.862-119.157 107.810-105.555 + 93.069 78.136 99.054-106.605 + 93.271 0.000 110.361 -77.679 + # 78 total E -8.55860E+01 rmsd from N 0.000 %NC 0.00 0 + 93.920 120.365 144.535 -9.128 + 91.545 83.356 132.339 -21.629 + 92.285 40.258 135.668 113.231 + 91.428 46.583 145.596 -93.910 + 90.478 48.201 117.641-123.966 + 92.354 67.830 133.209 -13.302 + 91.334 118.948 144.555-160.119 + 95.989 -64.104 129.573-139.151 + 128.699 -60.773 107.707 -78.391 + 95.749 69.040 0.000 0.000 + 92.767 42.580 0.000 0.000 + 89.449 51.514 92.253 -68.474 + 89.725 70.387 117.985 -75.231 + 93.688 20.513 112.900 -78.723 + 96.827 74.497 0.000 0.000 + 137.330 -65.405 160.273-127.363 + 116.948-104.074 111.271-119.698 + 119.594-139.861 116.165-116.247 + 93.597 76.573 129.745-153.238 + 93.300 0.000 112.509 -77.507 + # 79 total E -8.96055E+01 rmsd from N 0.000 %NC 0.00 0 + 93.982 125.734 142.700 -3.072 + 91.457 89.683 135.875 -17.850 + 91.199 46.635 126.464 96.977 + 89.930 44.917 146.889 -90.327 + 89.976 47.172 121.549-129.261 + 90.161 50.310 157.901 41.014 + 90.383 41.726 145.747-133.742 + 92.107 68.966 131.452-135.199 + 91.137 -60.725 136.877-118.272 + 113.734 -63.728 0.000 0.000 + 101.064 -21.838 0.000 0.000 + 93.296 95.146 95.974 -84.512 + 122.477 144.333 118.343 -80.670 + 95.125 -75.612 113.909 -77.063 + 93.531 63.584 0.000 0.000 + 128.159 -77.976 86.930 -64.275 + 117.412-104.577 124.989-133.256 + 122.475-141.438 109.014-107.966 + 93.065 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41.776 145.227-129.856 + 92.070 68.780 131.676-135.349 + 91.124 -60.944 136.498-118.479 + 113.747 -63.514 0.000 0.000 + 101.076 -21.981 0.000 0.000 + 93.262 94.969 95.818 -83.435 + 122.118 144.220 118.158 -80.580 + 94.864 -75.326 113.543 -77.412 + 93.408 64.553 0.000 0.000 + 129.294 -76.934 88.601 -63.991 + 118.027-105.257 125.045-132.907 + 120.417-115.943 109.285-109.230 + 118.484-118.554 114.375-118.523 + 121.873 0.000 121.495 -81.066 + # 82 total E -8.63785E+01 rmsd from N 0.000 %NC 0.00 0 + 93.969 125.801 143.529 -3.243 + 91.460 89.967 135.288 -17.491 + 91.086 45.306 124.616 105.992 + 89.398 45.029 143.365 -87.900 + 89.696 48.678 121.268-131.419 + 89.592 54.133 133.561 57.041 + 90.159 36.648 140.611-172.632 + 92.482 58.279 127.331-131.281 + 92.531 -52.857 142.178-119.414 + 123.347 -65.164 0.000 0.000 + 123.421 -21.607 0.000 0.000 + 94.729 86.128 83.927 -83.086 + 135.652 -91.985 151.042 -0.716 + 123.781 -58.329 118.747 -80.001 + 95.504 72.064 0.000 0.000 + 117.568 -79.587 84.769 -64.445 + 116.456-112.316 112.500-114.624 + 120.565-145.401 134.123-143.900 + 92.693 74.697 101.138-100.896 + 93.322 0.000 110.121 -80.015 + # 83 total E -8.50909E+01 rmsd from N 0.000 %NC 0.00 0 + 93.888 121.407 146.511 -9.659 + 91.320 85.109 128.980 -15.483 + 90.928 44.302 93.501 -87.665 + 90.218 45.916 148.747 -97.597 + 90.001 42.460 122.228-127.391 + 91.351 51.691 134.235 21.887 + 90.589 36.326 132.235-158.679 + 92.484 67.018 131.418-134.183 + 92.456 -76.750 135.034-114.515 + 122.427 -2.382 0.000 0.000 + 135.758 -32.701 0.000 0.000 + 127.931-176.279 106.508-102.083 + 126.160 168.016 117.991 -81.329 + 119.747 -64.889 118.788 -78.252 + 94.757 71.672 0.000 0.000 + 120.985 -67.404 118.260-131.234 + 117.920-109.437 115.584-121.561 + 118.641-136.859 143.231-157.996 + 93.793 54.110 92.484 -93.436 + 93.347 0.000 114.972 -78.338 + # 84 total E -9.09006E+01 rmsd from N 0.000 %NC 0.00 0 + 93.914 124.016 145.895 -6.834 + 91.533 88.174 134.537 -24.718 + 91.776 44.265 123.685 104.099 + 90.119 45.809 141.339 -86.981 + 90.044 45.523 119.334-126.568 + 90.227 47.766 156.387 48.963 + 90.677 47.080 141.958 175.760 + 92.139 74.909 137.099-131.503 + 90.505 -66.679 136.265-130.355 + 103.078 -66.412 0.000 0.000 + 99.036 -33.117 0.000 0.000 + 92.643 102.122 133.645-159.189 + 94.186 126.709 113.390 -78.509 + 107.224 -87.543 120.683-155.640 + 94.934 59.926 0.000 0.000 + 128.258 -82.602 102.272 -59.633 + 116.489-106.780 125.233-134.345 + 122.138-149.685 110.050-108.685 + 92.887 56.951 99.878-105.312 + 93.346 0.000 112.023 -80.255 + # 85 total E -8.59238E+01 rmsd from N 0.000 %NC 0.00 0 + 93.944 108.769 140.336 -16.530 + 92.999 104.756 141.601 -36.337 + 129.110-112.754 96.388 -93.402 + 92.960 66.159 141.995-107.635 + 91.201 34.651 112.625 -91.661 + 92.226 55.383 131.957 41.387 + 90.992 36.906 133.187-160.575 + 92.206 62.729 136.856-133.583 + 91.389 -74.972 131.617-133.286 + 117.646 -64.074 0.000 0.000 + 125.529 -48.909 0.000 0.000 + 103.361 -27.388 96.161 -92.426 + 92.182 101.181 128.526 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128.330 141.543 2.030 + 91.302 91.264 132.471 -13.605 + 90.543 49.696 127.241 102.810 + 89.812 44.168 148.879 -97.124 + 89.604 49.952 121.680-132.252 + 89.818 68.772 130.870 31.748 + 89.358 59.170 142.223-174.092 + 89.893 37.659 78.661 -86.795 + 93.440 -98.199 137.730-114.503 + 122.695 -68.677 0.000 0.000 + 105.694 -32.787 0.000 0.000 + 92.105 -47.911 93.634 -81.365 + 92.444 92.927 114.497 -75.320 + 132.726-105.182 119.271 -82.784 + 97.088 168.271 0.000 0.000 + 129.464 -81.939 122.891 -63.039 + 119.459-108.217 115.413-120.281 + 119.011-142.149 115.251-116.733 + 93.586 49.287 98.764-101.318 + 93.364 0.000 114.376 -79.419 + # 88 total E -8.80504E+01 rmsd from N 0.000 %NC 0.00 0 + 93.905 122.961 146.040 -7.973 + 91.271 86.112 128.127 -14.459 + 90.838 47.729 96.785 -90.203 + 89.753 44.556 151.208 -97.054 + 90.122 46.985 123.243-125.633 + 91.237 48.287 120.576 63.229 + 90.816 43.402 128.057-145.428 + 91.854 56.058 134.141-134.553 + 93.176-177.056 141.738-133.864 + 133.936 -69.778 0.000 0.000 + 111.414 -6.370 0.000 0.000 + 91.016 72.469 100.952 -97.126 + 90.200 -0.320 107.600 -76.380 + 107.942-135.295 103.641 -75.604 + 94.724 122.635 0.000 0.000 + 120.236 -71.273 140.725 -43.524 + 114.733-132.017 90.828 -82.932 + 106.792-172.656 130.361-146.446 + 93.303 50.053 108.697-108.201 + 93.346 0.000 113.343 -79.371 + # 89 total E -8.78989E+01 rmsd from N 0.000 %NC 0.00 0 + 93.851 106.272 146.668 -11.934 + 91.529 80.012 138.697 -27.518 + 90.826 44.583 134.310 115.328 + 89.973 49.287 140.603 -88.113 + 89.596 42.873 120.888-129.608 + 90.056 49.663 138.681 -14.460 + 90.291 43.422 140.998 179.413 + 91.454 72.150 136.199-132.501 + 90.659 -55.542 134.280-129.189 + 115.673 -70.218 0.000 0.000 + 107.946 -20.841 0.000 0.000 + 108.984-144.747 95.027 -77.941 + 126.217-139.950 122.025 -79.279 + 93.762 36.100 115.717 -76.258 + 95.170 64.070 0.000 0.000 + 111.363 -63.300 154.692 -9.958 + 118.356-112.224 109.614-114.025 + 121.748-141.770 113.806-112.853 + 116.202-118.271 133.108-144.714 + 121.709 0.000 121.560 -80.712 + # 90 total E -8.70078E+01 rmsd from N 0.000 %NC 0.00 0 + 93.883 121.298 146.750 -10.069 + 91.354 85.953 128.597 -17.018 + 91.029 45.502 93.859 -87.743 + 90.389 44.786 147.544 -96.760 + 90.148 43.254 119.931-126.069 + 91.180 48.625 141.457 27.515 + 90.318 44.393 130.678-159.186 + 91.849 75.511 136.490-133.878 + 90.925 -97.103 138.690-123.685 + 95.869 56.145 0.000 0.000 + 150.847 -70.371 0.000 0.000 + 128.312 172.298 108.805-103.788 + 124.880 165.721 122.112 -80.349 + 118.474 -63.002 117.783 -79.689 + 94.529 73.865 0.000 0.000 + 121.758 -71.929 69.438 -75.052 + 117.176-109.106 116.805-122.689 + 118.755-136.468 143.539-158.114 + 93.559 62.869 91.793 -94.369 + 93.332 0.000 112.892 -79.007 + # 91 total E -8.58632E+01 rmsd from N 0.000 %NC 0.00 0 + 93.698 85.927 151.179 -31.160 + 93.028 125.252 142.799 -39.619 + 128.750 -97.135 95.895-105.205 + 92.021 52.139 149.659-103.249 + 90.482 39.264 104.513 -45.075 + 91.946 52.187 162.122 112.787 + 90.671 44.459 145.908-106.275 + 92.178 77.103 137.862-136.986 + 91.607 -68.398 144.314-133.971 + 118.919 -22.016 0.000 0.000 + 117.315 -45.905 0.000 0.000 + 96.094 -41.673 91.511 -87.741 + 90.965 111.918 138.915 -34.319 + 95.197 24.034 112.600 -80.418 + 96.497 68.980 0.000 0.000 + 126.857 -83.720 116.743-126.651 + 116.125-107.300 122.571-133.558 + 112.987-135.226 100.488 -84.239 + 93.492 83.208 127.956-149.956 + 93.280 0.000 110.974 -77.249 + # 92 total E -8.74439E+01 rmsd from N 0.000 %NC 0.00 0 + 93.931 109.234 143.828 -0.531 + 92.493 157.230 137.042 -24.708 + 90.568 93.124 116.262-105.925 + 89.420 48.740 145.447-114.543 + 89.003 47.398 108.446 -70.144 + 90.014 54.045 123.733 43.602 + 89.627 53.078 134.087-151.356 + 89.750 48.101 129.623-134.111 + 91.580 166.562 140.278-118.185 + 95.435 97.677 0.000 0.000 + 132.938 -52.809 0.000 0.000 + 93.982 79.887 132.263-155.194 + 94.577 -57.815 118.710 -76.151 + 135.543-158.887 125.813 -80.209 + 115.614 171.103 0.000 0.000 + 132.014 -79.661 106.448-110.867 + 117.007-105.382 121.696-130.530 + 121.283-146.218 109.584-107.629 + 93.377 49.876 99.287-106.517 + 93.362 0.000 113.350 -80.026 + # 93 total E -8.40798E+01 rmsd from N 0.000 %NC 0.00 0 + 93.725 -2.430 105.196 -81.914 + 108.344 178.809 161.713 -21.697 + 93.809 85.139 176.393 179.418 + 91.647 46.527 137.750 -83.643 + 90.436 46.674 121.805-108.615 + 90.478 48.270 98.511-134.765 + 90.372 42.304 141.640-170.178 + 91.888 50.235 134.485-126.914 + 92.687 -77.743 116.327 -78.718 + 130.138 -3.251 0.000 0.000 + 138.764 -28.711 0.000 0.000 + 112.520-147.612 89.323 -66.650 + 92.303 89.933 142.334 -17.033 + 93.071 24.147 114.884 -75.301 + 96.301 65.400 0.000 0.000 + 120.392 -86.729 125.893 -87.388 + 117.510-110.602 117.150-124.450 + 118.872-144.392 111.505-110.387 + 93.617 52.985 128.352-150.410 + 93.361 0.000 112.094 -80.821 + # 94 total E -8.47179E+01 rmsd from N 0.000 %NC 0.00 0 + 93.890 121.509 144.490 -18.295 + 116.553-177.965 144.181 -17.904 + 108.131-164.943 104.217 -94.216 + 90.905 61.191 140.727-101.708 + 89.394 41.543 121.102-120.288 + 90.665 59.286 127.289 25.663 + 90.200 34.963 145.079-162.186 + 92.241 64.272 126.930-136.068 + 92.134 -56.119 136.877-117.297 + 119.677 -56.280 0.000 0.000 + 123.974 -37.222 0.000 0.000 + 110.745 160.628 90.739 -78.163 + 93.037 80.765 136.180 135.172 + 120.560 -42.883 116.165 -75.865 + 94.662 86.995 0.000 0.000 + 115.484 -65.662 122.880-120.974 + 118.331-109.283 116.977-124.003 + 119.915-143.194 107.368-105.374 + 93.100 73.547 103.537-119.099 + 93.312 0.000 112.087 -78.365 + # 95 total E -8.52294E+01 rmsd from N 0.000 %NC 0.00 0 + 93.884 124.564 147.801 -6.928 + 91.300 91.872 130.879 -1.742 + 90.583 45.233 95.551 -79.642 + 90.526 57.248 142.180-116.115 + 90.203 60.782 129.200 8.488 + 90.148 73.603 95.456 -64.144 + 91.415 161.581 154.031-106.159 + 92.295 96.482 126.997-128.655 + 91.612 -69.179 104.077 -83.220 + 94.712 164.956 0.000 0.000 + 136.642 -55.820 0.000 0.000 + 118.895-175.674 118.677-121.570 + 93.767 108.913 114.752 -77.298 + 122.263-100.118 114.323 -80.586 + 95.751 92.461 0.000 0.000 + 128.160 -80.036 89.892 -63.469 + 116.723-108.422 120.345-127.868 + 120.767-120.140 109.080-105.283 + 92.688 77.751 98.298-114.417 + 93.282 0.000 109.232 -78.948 + # 96 total E -8.93164E+01 rmsd from N 0.000 %NC 0.00 0 + 93.712 97.000 108.556 -80.349 + 113.444 178.271 152.910 -16.909 + 92.827 74.404 142.660 112.251 + 89.878 48.480 146.991 -97.835 + 89.335 45.125 111.820 -68.347 + 90.423 51.941 157.269 -7.009 + 90.526 42.301 135.800-162.753 + 91.658 72.492 103.381 -98.843 + 90.794 -60.005 130.531-136.438 + 108.716 -69.573 0.000 0.000 + 101.033 -26.796 0.000 0.000 + 92.990 100.198 138.666-165.246 + 93.335 107.388 115.435 -78.730 + 124.001 -87.506 130.890-159.357 + 95.583 73.720 0.000 0.000 + 124.991 -80.160 132.077 -85.010 + 118.760-110.863 116.459-122.613 + 120.408-147.158 110.876-110.718 + 93.050 85.724 101.135-108.093 + 93.428 0.000 119.474-131.425 + # 97 total E -8.72107E+01 rmsd from N 0.000 %NC 0.00 0 + 93.710 9.902 103.488 -81.511 + 92.973 161.860 144.433 -14.048 + 91.413 78.279 142.948 87.045 + 90.848 41.793 149.424 -95.189 + 90.409 48.555 120.318 -59.343 + 91.438 48.894 132.564 44.154 + 90.718 41.127 138.746-122.503 + 91.964 57.055 130.946-132.838 + 92.672 -82.915 133.058-127.112 + 123.618 -63.531 0.000 0.000 + 129.748 -40.594 0.000 0.000 + 106.505 -28.470 92.792 -82.331 + 91.577 98.633 134.592 148.552 + 92.236 4.893 104.603 -79.671 + 120.777 -14.180 0.000 0.000 + 120.063 -78.661 93.759 -56.115 + 116.233-107.426 121.226-125.570 + 119.333-132.752 124.302-127.780 + 92.805 58.936 97.256-102.383 + 93.349 0.000 111.949 -80.411 + # 98 total E -8.61917E+01 rmsd from N 0.000 %NC 0.00 0 + 93.782 101.065 149.559 -19.438 + 92.065 134.836 120.335 -43.488 + 90.638 56.876 83.602 -94.611 + 90.650 42.665 143.475 -93.620 + 89.675 48.924 127.156-149.837 + 89.865 50.840 131.766 -8.994 + 90.314 44.407 149.360-125.741 + 91.724 71.708 129.794-136.255 + 91.662 -95.570 133.456-121.861 + 94.372 129.873 0.000 0.000 + 134.075 -22.417 0.000 0.000 + 111.037-145.774 92.268 -84.043 + 93.793 113.337 115.608 -76.596 + 113.560-108.131 112.663 -80.569 + 124.367 176.849 0.000 0.000 + 127.446 -79.895 130.484-114.547 + 116.466-107.519 122.923-133.259 + 121.874-146.344 107.996-105.152 + 92.881 71.990 107.000-113.694 + 93.318 0.000 111.074 -79.601 + # 99 total E -8.69653E+01 rmsd from N 0.000 %NC 0.00 0 + 93.904 117.551 144.318 -9.729 + 91.464 81.855 130.757 -18.735 + 92.240 38.318 140.017 112.411 + 91.468 49.424 143.832 -87.807 + 90.264 41.440 119.180-126.024 + 91.145 51.539 124.469 -23.089 + 91.100 34.777 149.807-146.107 + 93.078 60.113 132.826-132.225 + 92.895 -61.881 134.636-126.374 + 121.875-127.720 0.000 0.000 + 119.088 -28.882 0.000 0.000 + 92.485 67.613 134.207-160.104 + 92.875 63.099 111.630 -76.162 + 97.081-102.623 110.961 -78.461 + 94.361 133.477 0.000 0.000 + 132.045 -65.696 176.452-170.133 + 115.541-102.803 111.025-119.428 + 119.036-140.113 112.949-112.330 + 93.757 76.840 126.822-150.578 + 93.328 0.000 111.932 -77.861 + # 100 total E -8.84151E+01 rmsd from N 0.000 %NC 0.00 0 + 93.922 124.508 145.616 -5.901 + 91.276 86.155 128.396 -17.751 + 91.269 45.127 98.510 -88.806 + 90.226 44.750 150.731 -96.493 + 90.410 44.646 121.929-123.675 + 91.935 50.518 124.508 71.969 + 91.438 38.915 130.800-147.335 + 93.734 79.176 132.431-131.912 + 121.842-102.282 155.912-165.997 + 136.181 -64.176 0.000 0.000 + 140.525 -30.026 0.000 0.000 + 104.774 -32.089 94.391 -85.230 + 90.970 99.892 113.955 -75.894 + 91.979 -16.949 106.674 -79.081 + 117.696 -30.753 0.000 0.000 + 127.428 -70.785 138.989 -58.809 + 118.902-121.686 102.518-102.476 + 115.093-170.177 126.526-136.136 + 93.437 65.604 106.089-105.678 + 93.414 0.000 126.192-136.617 + # 101 total E -8.82070E+01 rmsd from N 0.000 %NC 0.00 0 + 93.980 125.945 142.922 -2.802 + 91.442 91.279 134.988 -16.128 + 90.891 45.583 124.288 98.825 + 89.618 47.837 143.150 -90.310 + 89.549 44.832 122.696-135.317 + 89.773 55.277 126.410 24.431 + 89.940 35.242 144.470 176.132 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123.557-134.674 + 113.110-138.939 100.031 -90.546 + 117.154-113.763 126.949-135.373 + 94.641 0.000 116.391 -77.619 + # 103 total E -8.90087E+01 rmsd from N 0.000 %NC 0.00 0 + 93.921 122.241 144.701 -8.287 + 91.227 87.065 127.833 -10.059 + 90.584 48.947 132.489 103.403 + 89.603 47.041 149.024 -92.128 + 89.798 44.744 122.818-133.071 + 90.427 51.673 128.855 37.064 + 90.305 39.378 143.337-144.041 + 91.853 60.743 131.780-134.008 + 91.452 -70.562 132.030-126.589 + 118.134 -64.638 0.000 0.000 + 126.656 -48.406 0.000 0.000 + 103.153 -27.153 94.054 -90.746 + 92.104 101.048 129.905 148.244 + 92.369 12.758 109.021 -78.015 + 119.749 -15.137 0.000 0.000 + 122.155 -89.749 86.172 -63.947 + 117.944-113.168 114.495-117.781 + 115.298-142.492 136.916-151.975 + 93.423 51.250 100.424 -92.053 + 93.360 0.000 113.131 -80.212 + # 104 total E -9.25429E+01 rmsd from N 0.000 %NC 0.00 0 + 93.868 122.259 147.957 -9.469 + 91.469 84.908 129.430 -27.498 + 91.434 44.740 94.034 -85.011 + 90.719 43.936 146.648 -93.647 + 90.159 42.706 119.402-119.119 + 90.717 49.343 161.170 38.454 + 90.569 47.062 132.123-168.167 + 91.972 75.985 136.666-130.329 + 90.071 -65.210 133.269-134.812 + 101.909 -65.766 0.000 0.000 + 97.789 -33.575 0.000 0.000 + 92.787 104.702 140.532-169.918 + 94.360 105.051 113.362 -77.188 + 120.538 -95.347 118.685 -77.337 + 94.738 80.524 0.000 0.000 + 131.474 -71.209 127.282 -90.872 + 115.613-109.737 85.196 -96.046 + 117.449-155.705 113.820-116.793 + 93.687 59.051 104.767-112.380 + 93.418 0.000 125.420-142.743 + # 105 total E -8.63354E+01 rmsd from N 0.000 %NC 0.00 0 + 93.739 112.177 153.137 -18.182 + 93.040 125.265 134.677 -36.340 + 126.417 -97.091 94.957 -91.019 + 91.689 55.352 144.226-116.164 + 89.939 43.115 123.228 -89.250 + 90.323 65.991 118.225 -28.633 + 90.075 43.858 152.940-142.401 + 91.176 75.447 84.010 -77.397 + 91.805 -79.214 138.032-120.490 + 95.303 169.762 0.000 0.000 + 146.631 -45.986 0.000 0.000 + 133.480 170.323 103.814 -95.585 + 93.925 155.080 114.819 -76.873 + 120.874 -69.990 118.957 -81.970 + 95.188 61.702 0.000 0.000 + 119.991 -96.696 78.882 -74.160 + 118.500-117.154 115.350-120.311 + 115.352-114.076 140.267-156.981 + 93.916 49.328 87.725 -77.700 + 93.421 0.000 116.892 -79.975 + # 106 total E -8.39662E+01 rmsd from N 0.000 %NC 0.00 0 + 93.852 92.379 146.166 -15.461 + 91.478 65.298 119.307 -75.493 + 90.920 59.676 122.608-101.442 + 90.231 44.468 147.558-101.692 + 89.759 45.986 97.215 -65.516 + 90.411 53.598 131.669-111.158 + 89.415 52.051 128.456-161.581 + 90.589 42.940 128.633-129.034 + 92.396-108.860 107.689 -78.599 + 94.958 136.970 0.000 0.000 + 117.812 -23.680 0.000 0.000 + 119.359-140.912 107.597-103.972 + 93.756 156.208 115.369 -76.983 + 127.437-166.793 120.903 -82.514 + 94.535 64.703 0.000 0.000 + 114.970 -82.132 143.990 60.754 + 118.183-166.412 115.801-122.031 + 131.634-158.804 111.449-100.800 + 92.640 102.561 105.064-105.711 + 93.253 0.000 107.318 -76.925 + # 107 total E -8.92852E+01 rmsd from N 0.000 %NC 0.00 0 + 93.862 108.516 146.516 -12.125 + 91.537 80.500 138.153 -27.022 + 90.911 44.177 135.205 115.309 + 90.117 49.358 141.526 -88.248 + 89.632 42.952 120.856-129.399 + 90.075 50.018 137.198 -16.191 + 90.291 43.216 142.122-173.243 + 91.478 71.963 135.891-132.839 + 90.764 -55.324 134.374-130.266 + 116.123 -69.999 0.000 0.000 + 109.304 -22.154 0.000 0.000 + 109.376-145.185 95.457 -77.118 + 126.477-141.257 122.195 -79.519 + 93.910 35.689 115.752 -76.279 + 95.186 62.922 0.000 0.000 + 109.830 -60.752 153.706 -12.429 + 118.096-110.436 110.247-114.764 + 121.336-141.428 116.272-115.999 + 93.462 76.200 132.249-156.320 + 93.303 0.000 112.586 -77.525 + # 108 total E -8.63694E+01 rmsd from N 0.000 %NC 0.00 0 + 93.986 125.151 142.239 -3.931 + 91.487 90.064 135.377 -16.007 + 91.057 47.025 131.111 99.498 + 90.349 42.545 148.566 -98.134 + 90.401 51.354 122.224-126.375 + 91.841 51.874 134.873 18.581 + 91.621 117.450 138.185-123.253 + 87.764 -38.677 111.247-121.196 + 90.583 -55.795 141.672-123.693 + 95.273 3.521 0.000 0.000 + 114.873 -46.054 0.000 0.000 + 92.409 -37.250 95.640 -95.940 + 92.973 96.337 113.961 -76.433 + 132.234-114.954 117.107 -84.620 + 95.470 162.902 0.000 0.000 + 127.799 -76.148 120.463 -61.769 + 117.805-105.021 119.334-126.391 + 118.212-136.588 109.348-110.220 + 117.981-118.676 122.318-128.804 + 121.886 0.000 121.577 -81.038 + # 109 total E -8.50805E+01 rmsd from N 0.000 %NC 0.00 0 + 93.927 120.200 143.965 -9.764 + 91.482 86.663 131.821 -16.265 + 91.517 43.509 139.385 103.447 + 91.002 46.711 144.313 -92.858 + 90.341 43.450 120.319-127.605 + 91.087 59.520 130.066 -11.666 + 90.751 57.961 154.665-147.254 + 90.969 99.300 84.535 -80.526 + 91.667 -23.755 140.430-141.328 + 99.990 -69.538 0.000 0.000 + 96.057 -24.631 0.000 0.000 + 92.572 104.507 109.495-111.480 + 94.319 129.076 123.338-124.266 + 127.748 -84.016 122.200-153.574 + 116.278 39.180 0.000 0.000 + 103.779 -74.257 107.854 -89.378 + 116.904-114.985 119.988-127.716 + 117.483-141.047 142.995-157.628 + 92.537 80.450 101.034-100.738 + 93.306 0.000 110.005 -79.189 + # 110 total E -8.48303E+01 rmsd from N 0.000 %NC 0.00 0 + 93.705 16.895 104.860 -81.553 + 92.973 168.398 150.675 -25.201 + 92.607 80.788 174.698 169.318 + 91.816 52.596 138.101 -85.512 + 90.604 44.536 126.435 -80.183 + 90.476 45.945 99.044-129.512 + 90.650 51.981 130.703-167.435 + 91.305 39.323 142.906-126.737 + 92.077-109.769 108.063 -77.414 + 94.165 147.572 0.000 0.000 + 114.692 -21.408 0.000 0.000 + 103.062 164.640 97.551-102.569 + 94.450 83.999 114.377 -77.568 + 93.132 -81.847 114.535 -77.058 + 93.393 145.402 0.000 0.000 + 129.772 -72.783 146.991-104.298 + 115.958-101.805 120.253-130.179 + 120.289-138.683 106.904-103.717 + 93.904 48.287 103.257-119.973 + 93.351 0.000 117.627 -76.828 + # 111 total E -8.56247E+01 rmsd from N 0.000 %NC 0.00 0 + 93.772 93.826 148.307 -25.367 + 92.933 127.402 141.504 -42.275 + 129.916 -97.119 96.940-102.441 + 92.324 50.175 150.786-105.523 + 90.724 42.468 106.697 -65.667 + 91.817 46.324 153.033 102.655 + 90.676 68.811 137.576-106.698 + 91.122 26.519 135.834-116.903 + 92.676-115.778 102.241 -75.402 + 92.571 148.361 0.000 0.000 + 93.522 47.905 0.000 0.000 + 88.982 50.388 107.353-119.415 + 89.764 41.495 111.437 -77.462 + 94.600-120.563 109.969 -76.602 + 94.561 152.822 0.000 0.000 + 130.383 -82.544 137.041 -72.119 + 117.441-107.828 119.574-127.310 + 120.614-146.741 111.389-111.001 + 92.849 84.961 97.733-102.305 + 93.423 0.000 120.381-130.281 + # 112 total E -8.66879E+01 rmsd from N 0.000 %NC 0.00 0 + 93.939 107.306 143.198 -1.988 + 92.518 157.735 137.793 -24.439 + 90.460 89.222 116.815-109.565 + 89.508 45.466 145.185-109.619 + 89.343 45.942 97.959 -60.895 + 90.238 57.821 127.382 61.673 + 90.237 39.800 140.404-152.502 + 92.178 64.345 129.399-133.345 + 92.672 -39.967 143.018-155.894 + 114.277-158.979 0.000 0.000 + 94.064 45.873 0.000 0.000 + 90.402 48.164 97.858 -96.939 + 90.489 43.040 112.326 -81.411 + 94.452 179.024 113.728 -76.546 + 94.746 122.728 0.000 0.000 + 128.640 -94.794 111.437 -96.032 + 119.029-108.365 122.799-130.941 + 119.856-143.444 110.851-110.029 + 93.396 56.536 99.493-102.715 + 93.344 0.000 113.269 -79.349 + # 113 total E -8.51203E+01 rmsd from N 0.000 %NC 0.00 0 + 93.988 125.093 142.078 -3.921 + 91.383 90.873 133.391 -11.247 + 90.362 51.996 129.908 104.388 + 89.685 40.729 148.665 -91.137 + 89.926 52.773 121.302-130.807 + 89.867 56.799 136.449 47.096 + 89.465 52.721 139.990-142.702 + 89.635 52.231 124.399-137.515 + 91.690-170.919 140.451-121.611 + 95.859 117.682 0.000 0.000 + 107.595 -16.288 0.000 0.000 + 92.791 106.852 95.699 -56.272 + 92.339 107.647 117.230 -76.419 + 92.337 -38.582 114.448 -77.754 + 96.295 89.099 0.000 0.000 + 134.870 -80.344 122.884-117.234 + 120.933-105.701 116.903-122.031 + 119.616-144.690 108.778-107.924 + 92.579 82.227 107.017-122.081 + 93.317 0.000 109.071 -79.947 + # 114 total E -8.40939E+01 rmsd from N 0.000 %NC 0.00 0 + 93.857 117.328 147.120 -13.751 + 91.357 88.176 130.107 -3.359 + 90.185 52.794 93.020 -91.743 + 88.943 45.150 145.523 -95.920 + 88.900 54.996 123.919-139.895 + 89.184 61.490 125.521 36.626 + 89.163 46.862 132.183 -66.887 + 90.570 58.927 133.225-136.583 + 91.882 176.727 142.691-132.051 + 141.592 -46.705 0.000 0.000 + 92.568 51.161 0.000 0.000 + 91.021 53.416 95.610 -96.362 + 92.491 -68.440 108.607 -76.420 + 123.064 -70.272 116.094 -78.658 + 117.870 -33.664 0.000 0.000 + 108.080-105.585 126.554 37.253 + 115.532-114.692 94.579 -84.761 + 113.404-166.332 124.574-133.927 + 93.447 69.888 139.974-167.874 + 93.311 0.000 114.249 -77.043 + # 115 total E -8.49170E+01 rmsd from N 0.000 %NC 0.00 0 + 93.711 27.198 105.910 -80.498 + 92.964 170.204 152.440 -23.300 + 92.359 79.010 175.613-177.540 + 91.803 51.263 139.286 -86.024 + 90.500 43.615 125.640 -79.797 + 90.680 50.667 100.208-128.555 + 90.082 47.156 140.507-161.544 + 90.764 70.436 137.241-131.913 + 91.977-158.238 138.105-124.714 + 95.043 74.815 0.000 0.000 + 92.674 42.711 0.000 0.000 + 90.229 74.791 101.642-100.103 + 90.933 147.483 125.391-142.397 + 93.353 -61.399 114.702 -78.459 + 95.217 60.470 0.000 0.000 + 124.707-102.278 123.062 -42.776 + 118.069-109.369 112.363-114.470 + 116.661-138.075 115.914-119.138 + 93.247 94.717 130.906-154.949 + 93.212 0.000 106.725 -76.591 + # 116 total E -8.95271E+01 rmsd from N 0.000 %NC 0.00 0 + 93.999 125.577 141.728 -3.040 + 91.444 90.359 137.312 -13.757 + 90.214 48.346 127.784 113.218 + 89.380 43.582 149.646 -92.999 + 89.735 48.472 123.743-132.955 + 89.839 49.333 155.974 34.951 + 90.379 43.091 137.467-137.268 + 92.365 72.852 131.775-135.788 + 91.149 -65.988 138.161-117.806 + 108.043 -56.522 0.000 0.000 + 115.317 -52.664 0.000 0.000 + 93.187 83.225 139.009-166.206 + 92.696 112.405 112.639 -76.768 + 93.749 -72.035 134.804-160.094 + 96.904 82.799 0.000 0.000 + 131.750 -88.511 136.934 -39.912 + 120.439-108.756 118.678-122.547 + 120.213-139.963 113.201-113.642 + 93.296 68.677 99.153-103.732 + 93.320 0.000 112.444 -78.654 + # 117 total E -9.14048E+01 rmsd from N 0.000 %NC 0.00 0 + 93.863 103.676 146.554 -11.014 + 91.405 72.158 139.082 -38.499 + 91.182 46.208 122.960 120.890 + 90.144 45.178 146.912 -94.508 + 89.923 46.666 117.442-122.476 + 91.018 45.676 156.348 14.811 + 90.953 46.055 135.285-139.496 + 92.206 74.468 137.004-129.642 + 90.319 -68.674 129.317-137.116 + 106.187 -70.513 0.000 0.000 + 99.211 -24.370 0.000 0.000 + 93.643 104.005 133.626-156.024 + 93.827 90.389 116.712 -75.960 + 125.108 -93.776 119.410 -77.698 + 94.953 86.670 0.000 0.000 + 132.835 -70.055 138.084-112.499 + 119.469-111.935 107.682-112.989 + 121.007-149.264 112.933-112.572 + 93.012 86.829 103.407-110.075 + 93.432 0.000 118.757-132.497 + # 118 total E -8.53196E+01 rmsd from N 0.000 %NC 0.00 0 + 118.441 -80.488 109.243 -78.001 + 116.630-105.688 144.790 -36.176 + 91.146 56.989 129.298 102.576 + 89.888 44.013 141.543 -92.725 + 89.761 47.261 122.717-103.447 + 90.012 53.653 128.783 30.013 + 90.062 35.726 139.695 175.787 + 92.293 61.404 128.300-130.993 + 92.144 -57.397 134.982-112.382 + 121.419 -65.841 0.000 0.000 + 119.429 -21.614 0.000 0.000 + 111.263 163.571 82.956 -77.558 + 93.952 82.406 124.799 71.496 + 116.761 -39.669 120.365 -76.486 + 94.727 85.314 0.000 0.000 + 115.458 -73.312 114.147-116.536 + 119.580-110.907 118.254-124.778 + 119.044-139.940 108.719-107.994 + 93.216 73.582 99.141-105.393 + 93.323 0.000 112.084 -78.382 + # 119 total E -8.85579E+01 rmsd from N 0.000 %NC 0.00 0 + 115.830 -50.712 110.294 -81.901 + 91.776 80.585 131.050 -28.868 + 91.845 43.069 98.113 -81.716 + 91.059 43.729 148.195 -95.921 + 90.116 42.869 117.454-118.644 + 90.808 50.174 163.777 28.450 + 90.620 46.303 132.061-163.111 + 92.007 74.854 135.232-130.505 + 90.408 -64.668 131.096-136.847 + 102.769 -65.729 0.000 0.000 + 98.517 -32.923 0.000 0.000 + 92.825 104.282 139.839-168.804 + 94.488 102.978 113.080 -77.249 + 123.186 -95.598 119.261 -77.380 + 94.697 80.124 0.000 0.000 + 129.943 -69.706 128.755 -91.980 + 119.018-108.612 109.768-113.961 + 118.889-138.749 110.719-111.582 + 117.323-118.171 126.214-134.457 + 121.787 0.000 121.468 -80.915 + # 120 total E -8.35052E+01 rmsd from N 0.000 %NC 0.00 0 + 93.861 122.334 148.377 -9.380 + 91.365 83.495 125.954 -18.445 + 90.924 47.159 92.426 -87.592 + 90.883 41.918 151.799-102.728 + 90.135 45.639 120.426-117.695 + 90.776 50.877 126.746 97.181 + 90.116 61.582 138.365-131.120 + 90.760 32.523 135.186-132.456 + 93.345-113.225 144.029-124.393 + 94.315 132.111 0.000 0.000 + 107.138 5.181 0.000 0.000 + 99.463-176.190 93.107 -94.104 + 122.256 179.948 144.221-156.159 + 121.834 -60.421 115.646 -82.174 + 113.791 -12.079 0.000 0.000 + 112.771 -80.875 109.407 -54.431 + 117.618-110.383 115.553-119.348 + 117.837-135.781 117.330-121.389 + 93.325 89.969 130.674-153.520 + 93.246 0.000 108.759 -76.920 + # 121 total E -8.45512E+01 rmsd from N 0.000 %NC 0.00 0 + 93.757 -9.903 101.149 -82.671 + 116.403 174.142 152.159 -13.585 + 92.405 66.585 133.596 119.424 + 90.669 42.371 152.454 -98.017 + 90.269 49.894 103.746 -43.446 + 90.854 40.172 149.013 96.804 + 91.029 64.729 131.680-113.622 + 91.228 31.770 134.782-109.808 + 93.143-119.764 106.886 -80.433 + 93.909 145.438 0.000 0.000 + 128.337 -38.169 0.000 0.000 + 98.903 168.939 96.376 -94.570 + 93.476 126.884 130.992 173.437 + 113.483 -69.169 115.367 -80.540 + 95.459 82.501 0.000 0.000 + 132.427 -82.883 100.547 -62.443 + 119.508-105.002 119.529-124.642 + 119.202-141.494 110.249-110.247 + 93.275 75.355 101.940-113.974 + 93.315 0.000 111.057 -79.112 + # 122 total E -8.81043E+01 rmsd from N 0.000 %NC 0.00 0 + 118.986 -91.150 108.811 -78.042 + 112.584-169.313 152.400 -16.691 + 93.048 70.652 133.679 113.207 + 89.865 41.794 151.441 -93.682 + 90.160 48.812 99.893 -65.236 + 90.591 49.313 156.137 43.191 + 90.513 44.099 135.048-138.302 + 92.269 69.136 131.878-135.540 + 91.459 -71.639 137.923-112.910 + 109.614 -50.620 0.000 0.000 + 120.318 -58.929 0.000 0.000 + 93.410 76.404 139.485-167.024 + 93.208 111.422 113.322 -76.566 + 94.296 -74.225 135.823-160.234 + 97.045 86.136 0.000 0.000 + 131.141 -83.757 139.333 -53.147 + 120.881-112.444 108.840-110.212 + 119.097-140.964 117.255-120.340 + 93.375 66.655 101.255-100.961 + 93.321 0.000 112.968 -78.428 + # 123 total E -8.52616E+01 rmsd from N 0.000 %NC 0.00 0 + 93.718 22.806 104.068 -79.755 + 92.889 173.369 144.180 -27.919 + 91.797 84.973 144.414-103.818 + 90.910 47.251 142.493-116.235 + 90.338 46.049 124.194 -84.121 + 89.758 54.673 101.841-131.920 + 89.881 52.640 141.251-140.923 + 90.896 75.925 131.770-134.273 + 92.214-103.423 138.189-114.585 + 137.204 -76.025 0.000 0.000 + 94.365 37.461 0.000 0.000 + 92.328 53.425 97.995 -96.865 + 92.967 -49.704 114.246 -76.210 + 130.724-173.937 116.312 -78.053 + 114.055 156.044 0.000 0.000 + 127.544 -80.086 122.675-123.153 + 114.615-104.024 125.967-137.414 + 120.560-143.591 108.611-105.983 + 93.227 63.200 101.953-112.828 + 93.332 0.000 112.725 -79.082 + # 124 total E -8.83929E+01 rmsd from N 0.000 %NC 0.00 0 + 93.867 107.540 146.481 -10.582 + 91.420 75.063 141.970 -36.180 + 90.984 45.579 124.648 122.876 + 90.633 47.439 148.098 -98.381 + 89.956 42.817 121.569-120.472 + 91.010 61.705 167.187-112.654 + 89.928 38.288 145.931-148.219 + 91.947 78.576 100.018-107.032 + 92.565 -59.753 142.808-120.411 + 121.682 -23.211 0.000 0.000 + 119.004 -47.501 0.000 0.000 + 96.625 -39.996 94.253 -92.123 + 91.112 112.006 140.817 -38.301 + 94.864 24.528 113.060 -80.086 + 96.173 66.173 0.000 0.000 + 122.625 -81.420 112.604-129.096 + 116.545-108.788 123.231-133.952 + 114.162-134.632 100.673 -83.285 + 93.489 82.159 128.825-150.745 + 93.281 0.000 111.339 -77.126 + # 125 total E -8.37792E+01 rmsd from N 0.000 %NC 0.00 0 + 116.484-171.050 151.050 -20.943 + 118.120-111.344 142.000 -26.169 + 91.234 65.327 119.881 122.493 + 88.849 44.930 149.382 -96.001 + 88.951 52.332 110.644 -87.725 + 88.946 45.822 160.051 102.841 + 90.101 61.607 139.319 -94.364 + 90.339 33.132 136.149-133.668 + 92.721-116.333 107.280 -79.939 + 94.416 150.156 0.000 0.000 + 132.385 -51.453 0.000 0.000 + 92.130 67.452 98.969-100.947 + 91.281 100.074 108.377 -77.446 + 92.518 41.792 115.214 -80.911 + 95.739 83.931 0.000 0.000 + 122.768 -88.964 88.773 -62.355 + 118.048-108.727 121.304-128.413 + 118.691-141.850 109.498-108.892 + 93.126 72.054 105.320-113.852 + 93.316 0.000 111.801 -78.797 + # 126 total E -8.54077E+01 rmsd from N 0.000 %NC 0.00 0 + 93.863 126.903 149.860 -3.665 + 91.447 89.994 131.650 -12.094 + 89.712 52.594 96.661 -81.746 + 89.953 41.600 148.258-106.856 + 90.205 44.045 126.124-127.125 + 91.047 48.547 130.109 92.551 + 90.565 67.879 134.970-136.572 + 90.434 92.398 132.670-121.062 + 92.144 -49.308 104.120 -82.981 + 96.468 91.396 0.000 0.000 + 128.200 -26.707 0.000 0.000 + 113.570-144.952 95.837 -72.212 + 96.868 164.818 116.343 -76.465 + 128.045-161.425 122.051 -79.979 + 94.726 63.878 0.000 0.000 + 118.682 -84.966 142.620 -36.614 + 119.673-165.244 111.521-113.743 + 117.213-149.344 115.815-115.942 + 93.722 85.133 131.196-155.286 + 93.294 0.000 111.880 -77.043 + # 127 total E -8.42402E+01 rmsd from N 0.000 %NC 0.00 0 + 93.757 101.086 149.589 -24.998 + 92.998 121.303 149.120 -38.845 + 131.700 -93.797 91.885 -96.599 + 92.056 57.013 142.504-102.942 + 89.895 41.954 122.561 -64.386 + 90.328 73.414 118.518 -37.288 + 90.525 41.112 143.293 -48.614 + 91.721 73.792 84.667 -82.782 + 92.650 -97.819 137.482-124.095 + 94.304 119.445 0.000 0.000 + 119.799 -8.293 0.000 0.000 + 91.756 67.330 96.307 -79.980 + 90.268 92.484 110.957 -78.725 + 94.263 -42.068 118.426-134.781 + 97.160 92.115 0.000 0.000 + 125.037 -79.712 116.819-133.072 + 120.254-112.656 115.674-120.459 + 120.344-140.405 112.299-112.469 + 93.179 60.678 95.322 -92.058 + 93.345 0.000 111.329 -80.646 + # 128 total E -8.61186E+01 rmsd from N 0.000 %NC 0.00 0 + 93.871 120.261 147.135 -11.118 + 91.362 85.718 128.629 -15.343 + 90.817 45.692 92.722 -87.738 + 90.284 45.612 146.932 -97.119 + 90.077 42.771 120.936-127.905 + 90.982 48.499 144.801 23.272 + 90.346 44.075 131.660-159.717 + 91.876 75.029 136.855-133.668 + 90.582 -95.747 137.600-122.512 + 95.628 53.595 0.000 0.000 + 151.573 -71.397 0.000 0.000 + 129.261 161.817 104.761 -96.369 + 93.913 78.891 111.360 -79.094 + 120.329 -47.059 123.894 -79.636 + 95.746 93.845 0.000 0.000 + 125.020 -80.236 117.891-114.887 + 120.879-111.142 115.754-120.926 + 118.391-138.517 106.176-105.860 + 117.548-118.919 125.424-134.720 + 121.863 0.000 121.668 -80.953 + # 129 total E -8.49815E+01 rmsd from N 0.000 %NC 0.00 0 + 93.909 123.636 146.077 -7.006 + 91.491 85.202 133.280 -22.194 + 90.443 48.292 95.975 -90.452 + 88.862 45.490 154.086-101.368 + 89.095 50.218 125.259-124.937 + 89.101 47.473 153.465 98.504 + 90.106 64.799 140.960-110.875 + 90.428 30.921 135.107-131.630 + 92.982-115.641 109.481 -80.483 + 94.412 148.070 0.000 0.000 + 134.980 -50.213 0.000 0.000 + 91.793 59.752 97.909-102.332 + 90.308 72.847 111.699 -78.088 + 92.012 47.231 114.394 -83.451 + 94.239 71.068 0.000 0.000 + 112.024 -68.849 81.340 -71.158 + 116.688-107.433 119.976-127.499 + 119.842-145.838 110.191-109.451 + 93.882 51.193 94.916-105.605 + 93.414 0.000 129.578-142.473 + # 130 total E -8.55634E+01 rmsd from N 0.000 %NC 0.00 0 + 93.856 117.782 147.444 -12.821 + 91.359 85.318 127.283 -11.820 + 90.660 47.441 91.894 -90.836 + 90.361 45.350 146.149 -95.970 + 89.929 42.965 121.233-128.906 + 90.856 48.391 134.057 25.564 + 90.754 47.216 132.810-165.372 + 91.457 41.472 137.591-132.616 + 93.302-173.075 114.282 -86.618 + 122.876 169.237 0.000 0.000 + 122.845 -39.698 0.000 0.000 + 92.466 65.377 86.031 -86.615 + 93.363 146.077 112.219 -80.098 + 95.734 18.596 121.809-174.997 + 97.110 67.517 0.000 0.000 + 126.608 -66.740 117.291 -66.160 + 113.975-100.934 116.795-124.802 + 122.972-152.113 112.668-110.711 + 92.984 65.752 97.235-108.845 + 93.345 0.000 108.392 -82.700 + # 131 total E -8.55765E+01 rmsd from N 0.000 %NC 0.00 0 + 93.784 101.033 149.518 -19.354 + 92.059 134.474 118.310 -45.213 + 90.771 57.085 86.218 -95.417 + 89.450 41.961 147.766 -96.906 + 89.363 52.173 124.518-147.134 + 89.992 46.832 139.236 28.055 + 90.522 45.476 139.487-108.590 + 92.096 76.027 131.525-136.575 + 92.539-111.694 137.663-124.570 + 95.029 112.360 0.000 0.000 + 132.034 -42.567 0.000 0.000 + 115.436-152.042 130.427-140.776 + 126.795 178.658 151.915-103.257 + 121.947 -91.633 116.898 -79.717 + 95.503 164.038 0.000 0.000 + 129.100 -98.751 130.693-109.162 + 117.554-107.216 124.193-134.442 + 121.013-144.024 108.196-105.881 + 93.060 73.249 107.078-112.672 + 93.316 0.000 111.797 -78.727 + # 132 total E -8.58396E+01 rmsd from N 0.000 %NC 0.00 0 + 93.918 121.578 144.817 -9.220 + 91.544 87.950 134.254 -18.215 + 91.099 43.644 131.798 110.418 + 90.444 46.144 142.832 -89.498 + 89.704 42.771 121.225-129.607 + 90.176 55.650 139.866 -0.085 + 90.292 40.195 143.710 165.133 + 91.950 73.081 129.398-134.048 + 92.351 -79.865 135.769-124.913 + 95.200 169.932 0.000 0.000 + 147.961 -38.232 0.000 0.000 + 89.961 53.361 132.775-162.228 + 90.235 48.933 111.314 -77.557 + 93.260-107.212 109.094 -77.936 + 96.499 144.779 0.000 0.000 + 123.554 -86.178 135.262 -55.469 + 118.716-112.591 116.755-122.637 + 118.558-132.957 111.731-113.022 + 119.359-118.221 112.698-111.713 + 121.802 0.000 121.412 -80.973 + # 133 total E -8.43407E+01 rmsd from N 0.000 %NC 0.00 0 + 93.931 122.910 144.527 -7.528 + 91.495 87.354 133.908 -18.305 + 91.436 41.993 129.029 110.470 + 90.154 47.633 143.970 -90.523 + 89.728 43.627 119.576-130.614 + 90.280 53.575 132.020 30.676 + 90.289 34.863 140.507 176.703 + 92.354 58.689 129.201-131.580 + 92.222 -59.062 133.553-109.130 + 123.603 -64.145 0.000 0.000 + 123.380 -7.767 0.000 0.000 + 115.630 176.960 81.886 -80.610 + 92.766 89.676 111.756 -71.817 + 93.854 5.733 115.129 -76.193 + 120.957 -22.479 0.000 0.000 + 128.040 -85.761 88.707 -63.481 + 116.910-106.965 113.975-117.892 + 119.263-139.900 111.184-113.459 + 93.189 79.418 102.989-108.973 + 93.300 0.000 111.316 -78.079 + # 134 total E -8.64118E+01 rmsd from N 0.000 %NC 0.00 0 + 94.008 127.675 142.108 0.693 + 91.403 88.912 136.589 -18.957 + 90.807 46.644 121.162 107.014 + 90.157 43.667 151.146 -94.073 + 90.202 48.144 119.775-127.178 + 90.791 52.801 125.305 33.357 + 90.015 41.122 141.355-120.067 + 91.251 61.890 128.548-136.531 + 93.151-176.871 137.749-115.828 + 94.864 153.988 0.000 0.000 + 120.255 -3.314 0.000 0.000 + 100.726-158.280 98.454-106.331 + 125.065 175.736 134.068 138.396 + 96.690 -66.502 112.631 -79.813 + 94.634 41.018 0.000 0.000 + 116.438 -84.208 136.968 48.530 + 120.697-168.297 108.358-106.544 + 123.586-143.810 117.851-119.500 + 93.517 74.199 133.038-156.456 + 93.306 0.000 112.981 -77.495 + # 135 total E -8.70395E+01 rmsd from N 0.000 %NC 0.00 0 + 93.973 125.828 143.276 -3.123 + 91.469 91.253 135.379 -17.612 + 90.951 45.986 124.104 97.835 + 89.628 47.332 142.610 -89.955 + 89.543 45.035 121.978-133.860 + 89.741 55.346 123.537 25.117 + 89.919 36.770 146.997 173.569 + 91.954 63.350 127.719-133.087 + 92.201 -55.102 135.781-115.595 + 122.199 -63.133 0.000 0.000 + 121.795 -32.836 0.000 0.000 + 111.720 161.085 89.465 -77.672 + 93.285 81.487 135.131 122.635 + 120.003 -42.885 117.738 -77.300 + 94.632 87.574 0.000 0.000 + 116.160 -64.740 120.735-113.888 + 118.960-109.914 116.289-122.742 + 119.933-135.840 107.904-106.427 + 118.430-118.867 118.980-124.833 + 121.916 0.000 121.574 -81.105 + # 136 total E -8.44319E+01 rmsd from N 0.000 %NC 0.00 0 + 93.840 98.163 148.397 -7.151 + 93.026 168.608 129.481 -32.010 + 111.489 172.701 124.492-120.323 + 124.940 168.172 159.966 -86.843 + 91.774 72.284 132.225-127.282 + 92.189 125.360 98.549 -74.391 + 91.149 74.105 145.710 -95.770 + 90.874 107.618 105.771-122.578 + 91.323 -19.557 134.634-131.352 + 98.335 -73.022 0.000 0.000 + 96.275 -18.324 0.000 0.000 + 92.998 105.162 133.816-157.969 + 93.364 128.772 134.718-116.292 + 121.020 -89.959 115.298 -89.429 + 95.617 48.003 0.000 0.000 + 124.341 -86.573 145.616 -47.695 + 117.595-110.544 121.501-130.451 + 124.099-152.181 113.828-110.963 + 92.911 73.711 106.691-113.439 + 93.328 0.000 110.187 -80.313 + # 137 total E -8.55201E+01 rmsd from N 0.000 %NC 0.00 0 + 93.906 124.535 146.491 -6.030 + 91.319 85.584 127.548 -19.417 + 91.089 47.608 95.765 -83.359 + 91.330 41.254 153.028-102.342 + 90.630 43.940 120.048-116.538 + 91.438 52.035 126.277 93.887 + 90.224 67.069 136.276-133.511 + 90.553 28.746 134.424-130.905 + 93.273-113.456 142.288-115.387 + 94.036 133.107 0.000 0.000 + 110.322 5.123 0.000 0.000 + 93.405 113.061 89.120 -87.307 + 92.461 87.410 109.470 -78.351 + 94.875 14.590 114.015 -78.035 + 98.637 80.339 0.000 0.000 + 133.155 -87.404 164.065 -95.069 + 119.712-113.620 109.534-113.020 + 119.033-141.984 114.235-115.485 + 93.330 70.833 104.322-103.770 + 93.313 0.000 112.958 -77.923 + # 138 total E -8.43578E+01 rmsd from N 0.000 %NC 0.00 0 + 93.924 117.154 144.942 5.781 + 92.335 153.426 136.728 -25.006 + 90.996 96.175 129.812-111.659 + 91.043 47.136 144.645-104.072 + 89.952 43.225 88.682 -68.498 + 91.305 75.401 110.169 -57.393 + 90.533 50.522 154.206-159.010 + 91.015 70.459 91.057 -88.975 + 92.366 -80.916 106.513 -81.176 + 95.711 170.361 0.000 0.000 + 143.907 -53.983 0.000 0.000 + 135.531 157.762 104.964 -94.519 + 92.515 125.793 114.169 -76.397 + 125.356 -67.664 128.602-131.682 + 95.185 78.030 0.000 0.000 + 120.162 -78.695 101.387 -74.114 + 125.017-166.925 111.338-111.009 + 110.287-147.376 132.038-146.760 + 93.790 45.780 99.332 -90.439 + 93.373 0.000 114.361 -79.756 + # 139 total E -8.83592E+01 rmsd from N 0.000 %NC 0.00 0 + 93.898 122.210 146.215 -8.928 + 91.281 86.418 128.067 -12.877 + 90.562 49.577 96.311 -90.753 + 89.543 44.378 151.337 -97.434 + 90.003 46.941 123.145-127.576 + 91.145 48.919 121.467 54.718 + 90.632 43.383 128.446-146.363 + 91.662 58.350 133.471-134.525 + 92.680 166.609 139.716-132.252 + 132.419 -84.532 0.000 0.000 + 96.380 23.215 0.000 0.000 + 93.831 58.337 99.120 -96.695 + 92.468 -34.636 117.914 -75.438 + 119.301-112.533 114.937 -78.818 + 95.562 152.259 0.000 0.000 + 118.956 -72.311 147.792 -20.822 + 114.722-113.409 88.032 -86.446 + 116.655-144.643 119.136-123.426 + 93.540 71.929 134.173-159.838 + 93.309 0.000 113.433 -77.374 + # 140 total E -8.66918E+01 rmsd from N 0.000 %NC 0.00 0 + 93.939 93.308 139.425 -19.504 + 93.189 112.407 152.634 -29.975 + 132.711 -97.600 89.364 -98.406 + 91.301 59.292 142.653-102.215 + 89.478 42.293 113.898 -29.167 + 89.079 55.523 148.579 110.063 + 89.424 51.108 147.505 -35.731 + 89.568 41.632 133.738-142.175 + 91.163-118.937 141.130-111.142 + 95.002 123.747 0.000 0.000 + 94.506 40.339 0.000 0.000 + 89.914 54.204 114.407-114.510 + 88.992 92.553 125.950-168.710 + 93.788 -41.608 112.082 -82.394 + 97.913 86.927 0.000 0.000 + 128.980 -85.916 141.386 -69.858 + 121.066-111.673 109.469-111.790 + 117.608-143.702 115.417-117.975 + 93.792 52.914 102.244-108.484 + 93.414 0.000 128.944-142.367 + # 141 total E -8.56952E+01 rmsd from N 0.000 %NC 0.00 0 + 93.940 121.134 143.358 -8.941 + 91.598 88.034 139.292 -17.710 + 91.425 43.702 140.846 113.439 + 90.721 47.036 144.354 -92.741 + 89.759 47.525 122.249-126.931 + 90.012 43.517 150.478 -35.191 + 90.341 54.381 136.018-149.581 + 90.771 42.158 124.046-102.838 + 91.339-115.398 101.798 -81.753 + 93.771 154.472 0.000 0.000 + 92.833 47.016 0.000 0.000 + 89.478 47.942 126.270-149.858 + 90.544 52.589 111.896 -76.754 + 93.205-112.634 112.433 -76.602 + 95.424 157.758 0.000 0.000 + 125.229 -85.909 140.722 -58.960 + 118.459-111.092 115.702-121.912 + 118.395-137.363 109.623-110.340 + 117.753-118.707 124.101-130.347 + 121.859 0.000 121.578 -80.993 + # 142 total E -8.40226E+01 rmsd from N 0.000 %NC 0.00 0 + 93.727 108.637 153.291 -20.001 + 93.020 128.531 137.708 -30.856 + 123.516 -99.009 96.337 -93.815 + 91.718 54.864 145.835-106.044 + 90.192 44.302 121.534 -74.544 + 91.038 46.179 115.775 -28.501 + 90.997 46.849 143.772-102.277 + 92.035 47.292 139.782-134.802 + 93.150-114.470 110.122 -79.914 + 94.467 161.435 0.000 0.000 + 132.145 -37.517 0.000 0.000 + 115.496 177.724 118.550-123.797 + 122.391 179.942 121.689 -79.436 + 96.395 -61.886 114.734 -77.313 + 94.958 165.943 0.000 0.000 + 129.558-108.560 105.553 -90.165 + 117.984-109.629 115.701-122.420 + 118.244-149.256 111.400-111.795 + 93.964 34.617 95.074-104.414 + 93.449 0.000 115.329 -81.806 + # 143 total E -8.52114E+01 rmsd from N 0.000 %NC 0.00 0 + 93.876 123.863 147.903 -7.594 + 91.436 84.145 128.650 -31.281 + 91.664 45.416 94.473 -81.978 + 90.930 42.869 149.809 -99.217 + 90.443 45.267 118.661-115.453 + 91.207 44.914 162.746 34.158 + 90.470 54.951 128.927-143.432 + 91.062 48.950 126.751-106.280 + 92.311-116.730 111.959 -81.899 + 95.316 157.540 0.000 0.000 + 132.807 -56.842 0.000 0.000 + 105.349 173.707 98.703 -91.179 + 94.371 146.577 129.550 154.051 + 112.958 -69.700 114.569 -80.676 + 94.777 67.471 0.000 0.000 + 122.398 -79.173 87.825 -66.817 + 116.610-109.828 120.060-127.677 + 122.258-141.325 112.043-109.174 + 117.678-126.379 118.033-122.202 + 122.843 0.000 123.397 -81.916 + # 144 total E -8.59758E+01 rmsd from N 0.000 %NC 0.00 0 + 93.889 122.860 146.814 -8.607 + 91.344 87.078 126.746 -22.724 + 91.376 46.952 96.317 -87.763 + 90.316 41.643 147.174 -97.286 + 90.575 46.861 116.297-122.753 + 90.863 48.028 136.496 61.818 + 90.099 49.907 129.253-151.632 + 90.809 41.576 135.558-134.142 + 92.566-110.851 136.217-108.202 + 123.864 -82.207 0.000 0.000 + 109.364 -24.860 0.000 0.000 + 91.374 87.513 104.025-105.741 + 92.459 39.543 106.582 -77.683 + 94.510-123.648 114.778 -79.280 + 95.548 123.248 0.000 0.000 + 122.517 -84.416 133.559 -42.590 + 117.572-161.266 112.698-115.412 + 121.002-166.434 128.554-133.683 + 93.617 52.587 94.883 -90.161 + 93.346 0.000 112.916 -79.693 + # 145 total E -8.53606E+01 rmsd from N 0.000 %NC 0.00 0 + 116.786 -84.105 147.540 -34.709 + 91.386 83.545 128.228 -11.292 + 91.047 47.237 98.322 -91.932 + 89.782 45.126 152.509 -96.624 + 90.113 46.715 123.728-125.248 + 91.196 48.585 120.904 62.718 + 90.799 43.292 128.186-144.625 + 91.828 56.131 134.462-134.955 + 93.136-176.759 141.750-133.321 + 133.916 -69.749 0.000 0.000 + 111.410 -6.467 0.000 0.000 + 91.019 72.539 100.938 -97.099 + 90.204 -0.091 107.595 -76.385 + 107.766-135.210 103.607 -75.616 + 94.733 122.598 0.000 0.000 + 120.300 -71.698 140.822 -43.429 + 114.804-131.495 90.694 -82.949 + 106.845-172.561 130.529-146.682 + 93.312 49.825 108.510-107.599 + 93.346 0.000 113.351 -79.388 + # 146 total E -8.43396E+01 rmsd from N 0.000 %NC 0.00 0 + 93.874 114.231 145.199 -16.007 + 91.761 109.065 132.310 -28.555 + 90.493 55.304 95.882 -89.192 + 89.897 42.413 146.760 -95.878 + 90.259 44.341 128.994-135.204 + 90.883 47.192 144.964 111.949 + 90.829 54.042 136.682 -55.206 + 90.872 97.479 134.526-118.000 + 91.850 -57.673 103.760 -83.906 + 96.278 91.984 0.000 0.000 + 138.996 -39.441 0.000 0.000 + 123.026-151.994 116.436-116.694 + 119.126 172.628 120.023 -80.035 + 121.974 -86.133 117.023 -79.322 + 95.011 160.516 0.000 0.000 + 130.841 -80.095 156.509 -90.399 + 117.507-107.245 114.433-120.926 + 119.429-138.690 113.739-113.944 + 93.545 76.905 130.744-153.746 + 93.300 0.000 112.397 -77.491 + # 147 total E -8.67136E+01 rmsd from N 0.000 %NC 0.00 0 + 93.774 86.457 147.647 -27.118 + 92.850 117.706 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# 150 total E -8.60309E+01 rmsd from N 0.000 %NC 0.00 0 + 93.916 129.593 147.499 -6.485 + 107.835-175.994 139.298 -26.834 + 109.772-167.205 116.209-124.875 + 90.206 53.489 145.214-102.993 + 89.242 43.014 113.722 -94.188 + 90.852 56.489 146.185 -27.140 + 90.130 40.260 137.307-161.065 + 91.634 74.072 99.153 -97.285 + 90.894 -55.089 133.635-138.517 + 109.982 -72.235 0.000 0.000 + 102.025 -26.289 0.000 0.000 + 92.942 100.521 140.157-168.221 + 93.169 103.058 114.616 -78.487 + 122.991 -84.439 134.857-161.669 + 96.045 77.335 0.000 0.000 + 126.380 -79.811 139.553 -95.555 + 119.418-111.854 114.984-120.221 + 120.681-137.771 109.847-109.175 + 117.655-118.713 123.410-128.042 + 121.880 0.000 121.573 -81.040 + # 151 total E -8.33415E+01 rmsd from N 0.000 %NC 0.00 0 + 93.920 124.689 145.772 -5.564 + 91.401 86.143 129.038 -22.836 + 91.833 46.244 98.033 -86.384 + 90.900 40.491 150.513 -96.741 + 90.474 48.793 116.851-116.717 + 91.478 50.676 128.669 57.780 + 90.366 45.966 130.309-145.000 + 91.371 50.410 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116.390-122.495 + 120.444-147.018 110.950-110.808 + 93.056 85.452 101.032-107.819 + 93.427 0.000 119.546-131.229 + # 153 total E -8.80552E+01 rmsd from N 0.000 %NC 0.00 0 + 93.926 126.189 146.045 -3.409 + 91.292 88.235 126.574 -19.268 + 91.300 50.627 101.855 -91.767 + 89.842 41.098 151.478-104.721 + 90.012 49.057 119.003-120.791 + 90.371 59.384 130.707 35.447 + 90.041 39.283 131.261-156.787 + 91.887 60.292 129.320-133.069 + 92.318 -69.704 138.268-119.697 + 118.773 -47.789 0.000 0.000 + 119.608 -57.261 0.000 0.000 + 111.508 152.075 131.351-143.868 + 93.612 86.704 114.194 -76.735 + 131.462-104.794 125.099 -84.508 + 95.843 95.577 0.000 0.000 + 132.472 -79.935 84.227 -78.682 + 119.074-143.066 110.712-113.731 + 127.435-167.230 114.685-110.373 + 92.548 81.732 100.561-101.302 + 93.332 0.000 108.932 -80.909 + # 154 total E -8.58736E+01 rmsd from N 0.000 %NC 0.00 0 + 93.867 112.969 145.905 -15.417 + 92.931 117.934 140.257 -32.125 + 123.016 -90.561 92.670 -87.832 + 90.473 60.329 143.424-116.109 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-78.799 + 107.595 -75.876 0.000 0.000 + 122.862-145.147 118.574 -33.662 + 119.088-108.984 116.446-120.153 + 117.502-112.649 110.501-110.710 + 92.721 78.675 99.788-104.570 + 93.266 0.000 107.139 -79.693 + # 156 total E -8.42474E+01 rmsd from N 0.000 %NC 0.00 0 + 93.774 48.068 147.076 -28.653 + 92.897 172.161 143.606 -20.703 + 91.765 76.256 141.624 96.422 + 89.354 43.865 143.969 -91.539 + 89.718 48.783 102.676 -56.793 + 89.891 54.072 131.388 58.393 + 90.327 38.350 137.351-171.498 + 92.438 57.121 128.341-131.918 + 92.688 -56.185 144.149-121.317 + 122.438 -62.012 0.000 0.000 + 122.371 -23.432 0.000 0.000 + 94.716 85.674 83.534 -82.557 + 135.456 -89.946 149.801 2.535 + 124.639 -59.017 118.064 -80.297 + 95.412 71.187 0.000 0.000 + 116.749 -79.880 83.447 -64.930 + 116.570-112.397 112.458-114.634 + 120.608-145.005 134.215-144.146 + 92.689 75.372 100.888-100.662 + 93.321 0.000 110.158 -79.995 + # 157 total E -8.69593E+01 rmsd from N 0.000 %NC 0.00 0 + 93.799 98.559 147.385 -24.701 + 93.138 118.232 146.840 -28.071 + 129.042-103.221 89.486 -97.025 + 91.790 62.400 144.995-111.371 + 90.707 42.260 113.287 -85.496 + 90.790 55.308 141.736 42.084 + 90.162 40.461 136.894-142.581 + 91.651 69.929 131.107-137.875 + 91.794 -40.704 141.215-128.686 + 116.080-155.345 0.000 0.000 + 92.526 47.637 0.000 0.000 + 89.557 49.348 97.788 -97.827 + 89.356 46.996 110.299 -74.817 + 93.833 179.983 114.071 -77.997 + 94.414 113.190 0.000 0.000 + 128.844 -78.871 106.047 -99.001 + 118.022-108.722 114.628-120.833 + 120.714-146.511 113.150-112.687 + 93.648 58.701 98.050-108.171 + 93.404 0.000 128.633-137.629 + # 158 total E -8.43022E+01 rmsd from N 0.000 %NC 0.00 0 + 93.855 118.674 147.543 -13.125 + 91.639 88.030 132.929 -18.112 + 91.038 45.348 90.958 -86.166 + 90.234 44.274 140.995 -96.096 + 89.612 50.090 122.201-125.136 + 90.433 49.743 116.313 -4.235 + 90.894 75.485 151.099-125.360 + 91.560 9.429 85.870 -84.158 + 98.869-111.494 97.813 -79.483 + 93.544 154.874 0.000 0.000 + 122.895 -21.663 0.000 0.000 + 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E -8.38550E+01 rmsd from N 0.000 %NC 0.00 0 + 93.870 120.543 147.314 -10.584 + 91.407 85.745 127.607 -19.112 + 91.056 46.589 92.947 -86.972 + 90.741 44.482 147.045 -95.545 + 90.487 43.193 120.079-122.469 + 91.199 53.101 152.731 43.994 + 91.533 77.991 131.750-164.827 + 92.600 -60.924 131.759-131.057 + 112.763 173.440 149.647 -15.517 + 135.244 -70.598 0.000 0.000 + 97.496 -14.142 0.000 0.000 + 92.224 98.914 98.926 -98.055 + 93.230 144.321 136.260 -13.285 + 94.808 -28.051 118.276-159.492 + 97.401 93.041 0.000 0.000 + 129.246 -77.750 98.803 -60.900 + 116.232-104.078 119.372-125.524 + 120.282-139.806 116.753-116.641 + 93.447 75.076 99.182-108.506 + 93.308 0.000 111.968 -78.218 + # 161 total E -8.90750E+01 rmsd from N 0.000 %NC 0.00 0 + 93.797 83.696 146.442 -26.280 + 92.944 118.291 148.790 -31.794 + 134.466 -96.570 86.772-100.326 + 91.612 59.473 143.078-105.496 + 90.253 44.329 116.168 -58.211 + 90.568 52.255 155.193 37.991 + 90.908 65.050 131.360 -55.071 + 91.821 102.831 134.107-130.656 + 91.200 -24.914 146.321-131.863 + 101.501 -71.329 0.000 0.000 + 98.766 -21.598 0.000 0.000 + 93.309 102.339 134.415-157.703 + 94.090 112.110 119.581 -75.273 + 120.965 -98.769 117.921 -83.727 + 95.191 63.719 0.000 0.000 + 129.910 -86.016 101.160 -62.397 + 117.268-111.394 114.506-119.540 + 122.497-149.126 113.213-111.411 + 92.266 80.464 106.859-116.770 + 93.323 0.000 108.306 -81.114 + # 162 total E -8.71204E+01 rmsd from N 0.000 %NC 0.00 0 + 93.890 113.890 145.478 -10.296 + 91.476 77.738 127.265 -29.804 + 93.040 36.425 154.664 110.423 + 92.899 51.306 141.743 -85.649 + 90.689 38.874 117.849-123.911 + 91.180 54.438 119.082 -46.107 + 90.225 43.642 152.764-154.404 + 91.338 57.618 136.423-135.382 + 91.837 -87.133 136.946-112.052 + 116.196 -60.005 0.000 0.000 + 112.923 -60.735 0.000 0.000 + 127.122 148.114 114.301-111.956 + 94.560 76.808 114.067 -76.972 + 94.547 -84.584 113.094 -77.560 + 93.148 152.533 0.000 0.000 + 131.914 -72.527 150.986-101.553 + 114.554-104.961 110.377-117.943 + 119.391-136.625 111.009-109.258 + 93.608 79.831 125.961-147.694 + 93.295 0.000 111.337 -77.856 + # 163 total E -8.78942E+01 rmsd from N 0.000 %NC 0.00 0 + 93.708 92.822 151.257 -29.414 + 92.946 123.956 141.529 -45.761 + 135.752 -93.631 84.440 -99.885 + 90.162 64.426 146.290-110.723 + 88.983 55.934 118.995 -31.698 + 88.219 61.664 95.550 -56.053 + 89.110 49.078 152.971-107.960 + 89.187 50.528 119.395-145.124 + 91.494-166.706 139.454-117.657 + 95.195 75.380 0.000 0.000 + 93.873 44.418 0.000 0.000 + 89.701 50.274 102.281 -94.950 + 89.898 75.187 116.317 -79.719 + 93.225 22.130 112.832 -78.707 + 97.263 65.400 0.000 0.000 + 130.741 -91.981 134.471 -88.095 + 118.271-111.662 119.727-128.213 + 108.812-160.388 98.287 -95.202 + 94.242 27.471 93.442-104.300 + 93.475 0.000 116.977 -81.394 + # 164 total E -8.37097E+01 rmsd from N 0.000 %NC 0.00 0 + 93.859 79.891 145.937 -15.715 + 92.979 167.992 139.060 -38.848 + 107.555 168.970 116.907 -73.129 + 91.654 68.123 136.239-108.323 + 90.200 43.511 126.089-129.331 + 91.240 54.591 124.928 16.487 + 90.803 33.452 142.603-134.673 + 92.715 62.474 127.919-134.892 + 92.375 -48.521 132.578-108.910 + 122.726-143.540 0.000 0.000 + 110.875 -25.687 0.000 0.000 + 91.443 76.731 102.007-100.985 + 91.514 39.751 106.908 -76.666 + 92.956-128.885 117.799 -78.382 + 96.655 134.180 0.000 0.000 + 117.514 -82.067 138.489 -26.707 + 114.064-162.615 118.285-124.644 + 112.359-165.846 135.438-150.540 + 93.607 73.582 102.650 -98.890 + 93.311 0.000 113.518 -77.392 + # 165 total E -8.37996E+01 rmsd from N 0.000 %NC 0.00 0 + 93.717 97.886 151.193 -27.703 + 93.108 121.962 140.604 -35.220 + 129.498-100.230 95.190-100.104 + 92.758 52.669 159.224-137.522 + 90.835 43.987 107.751 -38.826 + 91.564 51.403 144.084 78.463 + 90.960 39.219 135.336-119.281 + 92.115 55.266 132.877-143.082 + 93.932-173.116 145.160 -23.452 + 93.790 126.084 0.000 0.000 + 122.197 -20.320 0.000 0.000 + 93.508 95.315 131.656-154.732 + 124.306-102.247 114.369 -77.420 + 130.095 -88.091 119.636 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353.7 104 170 -9.25429E+01 -8.32983E+01 12605453 2 200 0 + 1 2 40600 353.7 104 151 -9.25429E+01 -8.33415E+01 12736259 2 200 0 +jlee = 1: 0.0 0.0 0.0 0.0 E = -92.54286 40600 12736259 + diff --git a/examples/unres/CSA/GAB/CSA/global/unrestrained/1l2y_csa.CSA.rbank b/examples/unres/CSA/GAB/CSA/global/unrestrained/1l2y_csa.CSA.rbank new file mode 100644 index 0000000..e71bed1 --- /dev/null +++ b/examples/unres/CSA/GAB/CSA/global/unrestrained/1l2y_csa.CSA.rbank @@ -0,0 +1,4201 @@ + jlee = 1 nbank = 200 nstep = 200 102409 0 1768.73465 + # 1 total E -6.92484E+01 rmsd from N 0.000 %NC 0.00 + 118.354-162.358 145.304 -13.888 + 114.157-101.348 146.200 -34.371 + 91.721 71.868 175.514-169.866 + 90.165 37.738 145.060-110.614 + 90.732 54.522 102.732-103.432 + 92.227 71.948 136.645 47.304 + 91.078 102.903 140.716-142.029 + 93.075 -67.906 108.039-121.036 + 117.292 -66.933 150.842 -18.999 + 128.199-168.095 0.000 0.000 + 124.639 -43.646 0.000 0.000 + 93.484 82.175 131.765-155.109 + 128.760-101.204 119.932 -79.944 + 122.685 -79.787 120.347 -79.433 + 118.974-174.983 0.000 0.000 + 129.284 -82.703 109.832-125.859 + 117.132-109.107 122.625-131.520 + 121.780-147.643 111.208-110.021 + 108.416 3.018 95.718 -80.016 + 93.346 0.000 113.414 -78.701 + # 2 total E -6.72687E+01 rmsd from N 0.000 %NC 0.00 + 118.874-146.725 108.740 -79.158 + 115.193 174.001 160.980 -15.044 + 132.775 -77.384 154.796-145.909 + 92.080 62.248 172.053 173.131 + 90.305 39.362 123.209 -80.421 + 90.937 61.112 100.825-124.330 + 90.643 69.964 151.758-129.692 + 91.252 149.264 126.644-132.637 + 92.447 -64.658 144.766-139.896 + 95.207 41.641 0.000 0.000 + 126.881 -93.820 0.000 0.000 + 93.219 64.808 100.847-101.436 + 128.799 159.528 150.332-126.346 + 99.771 -66.494 116.550 -75.723 + 95.412 65.246 0.000 0.000 + 131.105 -82.250 151.278 -35.422 + 122.787-145.336 111.292-110.688 + 105.413 132.246 120.836-131.721 + 121.677 64.148 118.767-122.667 + 93.317 0.000 115.190 -77.680 + # 3 total E -6.21341E+01 rmsd from N 0.000 %NC 0.00 + 93.601 44.833 143.230-128.549 + 92.919 110.664 155.761-154.586 + 130.319 -97.285 144.756 -9.966 + 118.056-154.791 130.473 -73.641 + 91.668 71.035 118.408-123.720 + 97.327 156.625 101.649-139.625 + 91.908 79.291 148.356-104.736 + 92.059 84.415 121.640-140.442 + 92.373 -86.419 107.739 -86.064 + 95.008 115.732 0.000 0.000 + 138.261 -33.807 0.000 0.000 + 120.745-145.570 108.996-108.418 + 125.801 176.473 121.502 -80.309 + 110.866 -46.250 137.945-102.767 + 108.866 -11.127 0.000 0.000 + 119.455 -88.367 99.438 -58.463 + 118.026-112.490 122.811-130.656 + 119.599-116.256 103.586-100.327 + 109.451 115.218 128.050-142.112 + 93.450 0.000 111.361 -80.164 + # 4 total E -6.14904E+01 rmsd from N 0.000 %NC 0.00 + 93.782 36.667 145.679 -30.684 + 92.629 159.351 139.145 -51.442 + 125.033 163.229 134.408-123.685 + 122.530 179.950 176.442-162.702 + 90.975 71.666 149.340 169.707 + 88.661 164.615 141.900 16.597 + 91.670 64.652 136.738-164.636 + 91.480 75.633 111.180-116.078 + 92.672 -71.784 98.684 -81.321 + 95.297 174.495 0.000 0.000 + 139.430 -40.197 0.000 0.000 + 111.366 175.995 125.302-133.213 + 93.254 92.706 133.440-119.837 + 93.801-104.377 110.933 -79.629 + 95.047 158.505 0.000 0.000 + 128.317-119.570 135.872 -22.511 + 118.799 121.054 120.764-128.457 + 92.407 49.579 105.138-104.526 + 92.785 86.691 103.362-111.087 + 93.419 0.000 128.043-124.416 + # 5 total E -6.13242E+01 rmsd from N 0.000 %NC 0.00 + 117.492-112.959 153.876-151.778 + 123.740 -94.504 154.406-109.448 + 121.895-168.224 157.774 10.208 + 93.564 95.757 146.041 -92.009 + 90.883 -56.556 101.936 -51.995 + 94.375 107.342 166.489 157.670 + 92.943-109.621 138.220 -36.550 + 125.497 169.373 162.178 -86.043 + 117.161 167.106 144.037-141.177 + 134.693 -87.489 0.000 0.000 + 94.447 30.192 0.000 0.000 + 92.475 54.862 131.888-155.749 + 92.069 -65.852 121.659 -33.450 + 126.138 -62.630 119.063 -77.074 + 130.077 73.365 0.000 0.000 + 129.474 -89.464 111.890-126.791 + 118.776-110.774 114.708-119.748 + 118.027-138.970 140.726-154.671 + 119.837-116.722 111.924-110.826 + 121.012 0.000 149.529 -87.515 + # 6 total E -6.10313E+01 rmsd from N 0.000 %NC 0.00 + 118.522-158.559 106.506 -77.991 + 121.009 169.160 176.453-159.601 + 90.959 82.718 106.065-120.498 + 92.095 98.651 129.203 -90.329 + 90.927 39.721 91.630 -69.818 + 92.841 49.483 94.467 -72.923 + 93.446 -91.377 143.023 -96.331 + 118.233 -94.212 124.223-131.300 + 134.151 47.382 154.026 -9.539 + 97.354 106.003 0.000 0.000 + 139.484 -67.662 0.000 0.000 + 94.575 70.822 99.216 -95.566 + 93.090 119.939 148.199-105.192 + 95.557 5.117 113.499 -79.616 + 98.461 81.813 0.000 0.000 + 133.108 -97.487 113.997-130.507 + 120.288-168.991 115.262-119.564 + 128.885-157.171 112.775-106.891 + 110.769 129.409 129.884-143.217 + 93.609 0.000 114.029 -80.207 + # 7 total E -6.03899E+01 rmsd from N 0.000 %NC 0.00 + 115.941 -68.165 147.712 -33.546 + 92.444 88.276 151.309 -28.267 + 92.379 109.112 113.347-129.487 + 115.811 -95.210 126.210-119.282 + 119.319 160.935 157.829 101.773 + 111.905 165.197 88.388-134.979 + 118.429-175.511 171.911 -4.366 + 125.855 -73.288 123.615 136.300 + 93.630 44.025 148.506 -23.260 + 122.934 -57.049 0.000 0.000 + 128.280 -57.627 0.000 0.000 + 115.998-179.575 137.157-150.210 + 94.059 90.532 114.287 -77.035 + 113.570-100.742 111.500 -80.122 + 95.084 50.614 0.000 0.000 + 127.718 -97.688 100.793 -67.058 + 118.141-168.363 112.338-116.431 + 119.518-168.089 127.553-133.596 + 93.697 109.424 101.826 -94.669 + 118.948 0.000 116.936 -82.251 + # 8 total E -6.00680E+01 rmsd from N 0.000 %NC 0.00 + 93.828 100.990 148.549 -13.955 + 91.664 81.336 140.160 -32.715 + 90.849 52.587 131.676 -99.965 + 90.661 56.155 139.320 -96.403 + 90.743 87.594 109.934 -35.184 + 107.086 -47.520 147.330-133.402 + 91.353 83.037 154.145 -21.416 + 90.822 28.066 107.712-131.152 + 93.243 168.393 138.675-129.584 + 124.351 171.996 0.000 0.000 + 132.431 -62.581 0.000 0.000 + 116.630 -80.680 109.311-110.048 + 90.200 76.761 114.441 -76.239 + 93.234 26.227 110.541 -78.253 + 96.522 169.899 0.000 0.000 + 125.190-106.133 114.569 -43.904 + 121.455-165.855 135.807-146.269 + 106.603-139.564 98.876 -88.847 + 119.704-104.122 122.540-128.306 + 119.673 0.000 137.769-114.234 + # 9 total E -6.00184E+01 rmsd from N 0.000 %NC 0.00 + 93.612 17.118 144.230-131.822 + 114.659 175.658 148.665 -27.024 + 114.370 170.552 111.841 -73.595 + 92.367 62.947 137.939-113.895 + 90.729 36.961 107.539 -39.763 + 93.061 70.853 151.487 109.938 + 92.104 -77.630 144.635 -52.787 + 123.380 171.472 132.339-132.954 + 117.069 -72.596 150.808 -20.957 + 95.537 63.485 0.000 0.000 + 132.720 -55.386 0.000 0.000 + 126.206 173.166 98.438 -89.800 + 129.396 165.055 150.592-114.429 + 108.771 -81.292 110.262 -79.515 + 94.407 61.322 0.000 0.000 + 123.778 -77.005 110.350 -81.861 + 119.100 134.705 114.577-120.169 + 91.976 48.017 99.137-106.238 + 92.452 104.963 100.038-104.170 + 121.220 0.000 120.859 -84.589 + # 10 total E -5.90693E+01 rmsd from N 0.000 %NC 0.00 + 93.680 15.849 108.379 -79.883 + 115.710 176.369 154.089 -17.158 + 111.781 110.654 171.808-178.270 + 124.009-104.414 115.039 -69.503 + 90.711 67.692 131.830-176.565 + 92.281 83.423 139.895 1.183 + 92.058 -67.646 112.040 -83.543 + 111.090-168.227 125.372-136.039 + 123.404-176.734 152.723 -14.268 + 126.001-165.978 0.000 0.000 + 107.710 -2.962 0.000 0.000 + 92.672 97.748 101.589 -99.076 + 93.635 -77.756 113.852 -75.050 + 95.889 73.075 115.529 -76.415 + 137.878-150.467 0.000 0.000 + 131.255 -82.981 130.082 143.289 + 118.619-108.201 119.613-127.502 + 118.109-119.159 114.092-113.947 + 93.747 91.644 99.193-102.912 + 116.982 0.000 113.099 -80.809 + # 11 total E -5.89864E+01 rmsd from N 0.000 %NC 0.00 + 116.618-139.378 152.367-149.145 + 117.425 173.705 162.987 -18.081 + 95.390 83.702 173.989 179.222 + 108.211 178.785 133.322 -75.717 + 119.707-178.743 134.717 144.402 + 128.674 171.431 99.437-129.923 + 92.430 90.719 144.470 -41.317 + 126.994-104.710 126.614-137.869 + 122.721-177.232 150.471 -18.383 + 136.541 -73.183 0.000 0.000 + 128.584 -46.210 0.000 0.000 + 110.502 178.220 130.701-144.203 + 129.940 176.278 160.390-108.314 + 94.110 28.254 115.788 -76.348 + 126.160 -19.378 0.000 0.000 + 119.793 -77.186 148.698 -24.680 + 115.873-111.559 90.133 -87.590 + 116.196-147.492 113.450-116.000 + 115.898-112.405 137.393-154.255 + 94.626 0.000 116.308 -77.329 + # 12 total E -5.86180E+01 rmsd from N 0.000 %NC 0.00 + 116.797-140.085 152.573-149.765 + 117.822 176.435 159.417 -17.089 + 92.608 77.075 120.339 -52.204 + 92.493 99.350 142.060 -88.127 + 90.511 -76.986 115.549-107.726 + 93.567 146.992 126.926 -30.238 + 92.059 103.598 148.554-117.881 + 114.588 -92.377 118.048-136.038 + 120.716 178.187 150.317 -18.048 + 131.278-172.086 0.000 0.000 + 93.250 36.695 0.000 0.000 + 94.187 168.944 130.955-153.374 + 132.890 164.354 127.359 -82.481 + 118.953-100.638 120.005 -78.984 + 120.043 176.323 0.000 0.000 + 129.781-107.992 105.614 -59.249 + 117.657-167.321 114.202-118.984 + 121.522-111.784 119.951-121.078 + 119.120-116.639 118.587-121.114 + 120.783 0.000 146.770-111.262 + # 13 total E -5.85817E+01 rmsd from N 0.000 %NC 0.00 + 119.411 -95.326 107.979 -75.586 + 124.581 -97.844 176.439-155.701 + 132.313 -70.677 96.541 -99.130 + 93.562 59.968 164.023-140.409 + 91.189 79.549 103.999 -41.605 + 108.702 -35.538 92.408 -84.353 + 93.378 95.692 146.162 -38.618 + 115.972-157.576 159.800-151.292 + 133.906 -66.662 105.831 -80.378 + 96.338 69.946 0.000 0.000 + 92.755 38.308 0.000 0.000 + 91.498-179.279 95.837-103.005 + 136.981 122.758 125.835 -84.032 + 116.653-112.882 119.470 -77.338 + 124.531 174.295 0.000 0.000 + 131.872 -82.000 139.010-159.064 + 117.643-106.960 116.438-123.483 + 118.816-140.590 109.923-109.256 + 115.584 5.758 129.896-140.573 + 93.361 0.000 115.608 -77.142 + # 14 total E -5.82315E+01 rmsd from N 0.000 %NC 0.00 + 119.629-115.223 109.493 -78.497 + 117.294-179.025 154.571 -17.051 + 117.347 157.870 176.430 171.912 + 91.129 42.426 146.228-116.163 + 90.517 48.177 92.634 -57.759 + 91.639 54.263 140.143 93.144 + 91.179 63.076 135.852-129.039 + 94.314 -92.722 131.350-128.395 + 123.261 166.678 111.069 -79.439 + 135.333 -74.184 0.000 0.000 + 119.891 -42.073 0.000 0.000 + 111.067 172.209 129.532-141.265 + 93.983 94.069 118.891 -76.656 + 120.815 171.140 119.557 -80.425 + 120.909 71.247 0.000 0.000 + 127.628 -80.540 142.074-174.011 + 118.587-109.656 116.712-122.888 + 119.290-139.976 111.285-111.131 + 115.991 5.978 128.903-138.393 + 93.374 0.000 115.585 -77.055 + # 15 total E -5.78833E+01 rmsd from N 0.000 %NC 0.00 + 93.601 103.858 143.733-133.175 + 117.865-172.251 154.476 -9.211 + 135.076 -56.008 166.545 146.734 + 91.735 78.584 135.430-105.943 + 90.553 -4.389 85.808 -70.446 + 110.045-132.681 175.797 141.380 + 119.794-166.621 120.234 65.109 + 131.808 177.134 110.139 -74.109 + 120.755 -65.390 109.984 -82.047 + 126.484-164.268 0.000 0.000 + 111.744 -30.247 0.000 0.000 + 95.148 -53.498 95.850 -91.798 + 92.456 86.076 114.221 -76.158 + 127.168-116.028 120.013 -81.593 + 125.443 173.771 0.000 0.000 + 126.245-115.738 115.810 -43.965 + 117.625-110.736 118.805-124.771 + 118.473-137.795 114.854-116.188 + 118.315-124.075 121.950-125.421 + 120.878 0.000 148.271-130.319 + # 16 total E -5.77295E+01 rmsd from N 0.000 %NC 0.00 + 118.449-170.216 142.461 -14.700 + 117.090-114.378 131.935 -62.795 + 91.406 61.484 98.442 -81.802 + 91.083 34.754 163.980-133.812 + 90.544 53.798 104.127 -61.641 + 92.352 87.510 129.853 91.094 + 91.624 -37.687 147.056-156.815 + 116.734-178.393 119.556-120.173 + 116.181 177.440 150.772-143.351 + 141.429 -70.316 0.000 0.000 + 94.887 10.075 0.000 0.000 + 103.594-146.242 130.810-148.270 + 136.159-166.872 166.073 -83.905 + 116.503-165.684 145.204 -68.731 + 134.654-177.756 0.000 0.000 + 125.751 -82.107 100.761 -66.710 + 117.116 136.396 118.287-125.568 + 121.875-169.037 107.636-104.525 + 119.281-120.647 121.540-126.848 + 120.603 0.000 144.029-134.118 + # 17 total E -5.76912E+01 rmsd from N 0.000 %NC 0.00 + 93.770 19.616 148.741 -27.456 + 122.826-179.135 164.045-153.888 + 117.242 175.545 158.792 1.970 + 128.409-178.732 163.537 -84.657 + 107.376-179.821 129.861 -2.673 + 129.153 177.862 164.413 147.996 + 108.782 -70.213 163.168-154.742 + 92.495 84.320 133.712-128.596 + 93.828 29.938 141.776-123.754 + 128.964-157.929 0.000 0.000 + 123.993 -35.144 0.000 0.000 + 118.986 172.157 114.881-116.020 + 122.252-178.747 119.879 -81.830 + 126.816 178.847 123.479 -78.971 + 120.886 175.558 0.000 0.000 + 130.873 -87.922 133.067-151.493 + 120.501-161.759 117.021-122.488 + 121.385-112.757 110.717-108.145 + 117.484-118.749 125.717-133.328 + 121.845 0.000 121.581 -80.873 + # 18 total E -5.73437E+01 rmsd from N 0.000 %NC 0.00 + 93.826 112.186 146.070 -22.580 + 109.037 177.938 158.245 -22.314 + 93.544 80.607 174.239 173.499 + 92.789 53.411 142.128 -98.845 + 91.409 -96.965 109.053 -84.552 + 109.488 172.742 126.388 -36.029 + 92.206 87.698 139.148-133.137 + 93.597-175.178 113.414-128.388 + 118.441-172.774 154.024-147.895 + 130.025 -64.078 0.000 0.000 + 101.761 -29.689 0.000 0.000 + 92.552 90.933 101.500-100.033 + 138.621-121.122 115.223 -82.486 + 120.705 -68.186 116.644 -78.058 + 120.168 -17.529 0.000 0.000 + 112.773 -67.208 144.223 -39.070 + 118.406-156.044 111.313-114.268 + 119.288-168.105 122.701-127.615 + 107.568 -11.776 98.856 -88.100 + 118.957 0.000 119.787 -80.132 + # 19 total E -5.71579E+01 rmsd from N 0.000 %NC 0.00 + 119.889 -97.959 162.565-159.593 + 121.142 177.275 157.345-104.486 + 91.657 84.497 121.138 -43.046 + 93.775 10.086 120.355 -86.350 + 92.724 -99.486 91.090 -63.535 + 109.340 163.659 138.349 131.366 + 91.275 68.751 147.085 -34.393 + 91.757 153.645 118.727-134.063 + 116.687-177.158 144.259-171.493 + 138.605 -68.450 0.000 0.000 + 107.505 -9.933 0.000 0.000 + 92.938 105.891 101.628-100.957 + 115.224-175.460 130.356-112.907 + 125.713-168.732 121.852 -80.185 + 135.799-173.232 0.000 0.000 + 124.419 -77.705 108.388 -66.018 + 114.748 136.802 121.856-132.695 + 118.272-110.886 117.673-121.676 + 114.509-119.843 96.684 -87.741 + 121.721 0.000 121.673 -80.723 + # 20 total E -5.69130E+01 rmsd from N 0.000 %NC 0.00 + 119.954-106.927 105.461 -73.078 + 119.148 -84.812 167.607-162.962 + 125.446-170.259 109.714 -70.867 + 116.513 179.704 165.778-176.033 + 116.518 -69.875 140.292 -94.689 + 93.482 143.200 126.121 -17.286 + 109.917-120.646 122.843-119.610 + 92.824 71.882 129.363-151.489 + 93.140 169.806 141.263-103.157 + 95.677 85.436 0.000 0.000 + 120.964 -55.776 0.000 0.000 + 92.625 74.550 101.286-100.980 + 92.220 132.174 131.793-120.253 + 114.588 -74.220 121.300-164.132 + 94.385 65.566 0.000 0.000 + 125.358 -81.834 76.101 -86.913 + 120.563-160.743 116.634-122.377 + 92.960 117.897 113.574-118.721 + 93.105 48.938 93.628 -98.361 + 93.276 0.000 110.551 -78.766 + # 21 total E -5.67653E+01 rmsd from N 0.000 %NC 0.00 + 93.819 107.927 145.989 -25.617 + 115.505 174.487 156.374 -17.405 + 112.541 110.155 173.051 178.107 + 123.168-105.016 110.871 -76.903 + 90.771 69.603 128.208-151.213 + 91.363 98.512 139.404 -21.815 + 90.754 111.661 126.189 -93.682 + 91.361 -42.953 116.224-141.101 + 94.098 82.905 142.882-106.908 + 143.050 -82.484 0.000 0.000 + 153.509 -40.275 0.000 0.000 + 109.645 -60.961 95.393 -90.768 + 94.265 86.455 114.686 -76.281 + 126.386 -87.567 118.768 -80.180 + 126.652 -17.860 0.000 0.000 + 116.422-109.344 108.300 -50.147 + 116.776 132.398 130.999-147.621 + 106.935-111.743 98.150 -81.920 + 106.401 113.224 130.963-148.162 + 93.472 0.000 112.328 -80.419 + # 22 total E -5.65711E+01 rmsd from N 0.000 %NC 0.00 + 93.582 104.350 142.883-130.633 + 121.760 178.083 166.332-136.458 + 111.688 166.792 160.004 4.582 + 111.449 166.911 128.844-126.631 + 92.036 97.392 145.178-139.407 + 120.076 -70.409 84.282 -84.172 + 104.085-164.017 153.510-168.293 + 136.221-177.685 135.611-127.888 + 125.724 -42.806 166.923-162.592 + 132.977 91.952 0.000 0.000 + 98.254 -31.452 0.000 0.000 + 90.584 -50.312 96.159 -91.573 + 91.131 90.722 110.752 -75.822 + 136.507-175.311 113.144 -81.361 + 94.021 70.714 0.000 0.000 + 109.600 -86.013 119.484 -79.927 + 103.700 126.419 99.769-122.697 + 93.439-173.103 108.963-114.030 + 118.089-127.386 129.875-142.458 + 123.535 0.000 122.833 -83.222 + # 23 total E -5.63652E+01 rmsd from N 0.000 %NC 0.00 + 93.619 19.908 143.954-126.992 + 118.979-176.443 158.627-152.919 + 123.413-157.594 150.777 20.859 + 127.250 -49.382 164.583-150.390 + 91.658 89.518 111.906-108.006 + 91.420 116.941 104.419-139.579 + 90.152 52.711 134.374-113.875 + 90.469 85.425 109.664-126.481 + 91.005 -63.190 107.122 -86.249 + 96.430 173.729 0.000 0.000 + 92.504 45.388 0.000 0.000 + 91.124 59.006 97.222 -97.916 + 92.337 -64.787 113.001 -76.953 + 125.342 -62.886 148.975 -65.482 + 127.849 -20.181 0.000 0.000 + 128.537 -84.354 135.607-145.701 + 118.322-109.192 120.505-129.504 + 119.321-137.924 110.165-109.244 + 117.220-113.609 127.115-135.268 + 94.648 0.000 116.537 -77.646 + # 24 total E -5.63649E+01 rmsd from N 0.000 %NC 0.00 + 116.011-145.120 150.312-148.728 + 123.206 176.481 164.867 170.110 + 91.886 71.707 169.457 -2.020 + 92.295 94.837 114.135 -90.088 + 90.667 -8.804 98.878-107.034 + 105.009 -96.203 173.374 177.544 + 106.718-173.607 152.204 -22.291 + 137.078-172.820 141.863-162.297 + 119.235 179.871 107.196 -73.144 + 137.185 -63.725 0.000 0.000 + 98.119 -18.883 0.000 0.000 + 96.624 163.032 131.141-152.370 + 131.482-177.122 126.039 -79.800 + 116.071 177.139 120.867 -76.680 + 127.301 174.363 0.000 0.000 + 129.420 -92.779 128.508-148.013 + 122.296-166.818 112.744-115.921 + 92.949 116.250 107.876-114.176 + 92.869 125.129 108.491-122.462 + 120.760 0.000 119.935 -83.316 + # 25 total E -5.51394E+01 rmsd from N 0.000 %NC 0.00 + 116.793 162.200 140.811 -14.869 + 92.332 90.691 138.809 -41.684 + 135.312 -83.108 148.333 113.766 + 93.804 79.479 149.350-103.947 + 92.098 150.373 120.166-105.443 + 118.300 162.866 160.378 178.141 + 92.840 105.264 152.505 -87.375 + 131.219 -91.698 141.516-139.939 + 120.109-171.711 159.269-139.234 + 130.879 178.524 0.000 0.000 + 106.556 -15.619 0.000 0.000 + 98.148-177.093 101.116 -97.450 + 130.673-173.113 149.244-128.671 + 118.308-174.576 143.269 -45.417 + 129.644-179.336 0.000 0.000 + 127.537 -80.248 135.050-163.084 + 119.115-111.028 110.433-112.305 + 117.105-138.014 128.129-136.947 + 113.281-107.844 97.764 -85.569 + 94.532 0.000 116.241 -76.928 + # 26 total E -5.50478E+01 rmsd from N 0.000 %NC 0.00 + 119.408-129.949 109.536 -78.920 + 117.624-179.010 150.062 -16.756 + 132.955-110.608 161.213 162.353 + 93.767 88.428 132.530-108.447 + 90.924 -85.936 105.612-102.577 + 93.863 146.667 127.408 -32.839 + 91.468 92.633 142.993 -81.299 + 112.000 -99.110 110.078-128.947 + 118.374 119.943 109.754 -82.102 + 129.210 21.432 0.000 0.000 + 93.525 44.362 0.000 0.000 + 91.891 50.219 94.100 -99.064 + 94.177 -70.186 110.585 -77.368 + 129.664-174.179 151.158 -52.445 + 125.374 174.751 0.000 0.000 + 129.534 -84.441 139.521-168.003 + 121.167-163.521 113.258-116.132 + 120.328-140.584 117.393-118.601 + 113.014-118.211 98.938 -92.741 + 121.507 0.000 121.306 -80.328 + # 27 total E -5.50042E+01 rmsd from N 0.000 %NC 0.00 + 93.804 15.278 145.744 -28.109 + 114.018 175.181 162.599 -21.179 + 114.384 155.480 172.225 11.139 + 108.305 157.726 139.284-106.675 + 91.136 79.490 139.960-165.572 + 91.529 41.351 88.891 -83.410 + 91.837 66.421 137.253 -90.868 + 95.400 -64.440 129.056 145.037 + 117.488-164.771 158.533-150.606 + 136.182 -60.302 0.000 0.000 + 111.642 -32.025 0.000 0.000 + 95.800 -50.064 95.706 -95.250 + 92.280 92.779 114.226 -76.110 + 128.012-107.826 118.158 -82.281 + 126.435-178.238 0.000 0.000 + 127.069 -80.193 136.042-169.866 + 120.205-162.206 114.040-116.849 + 102.511-170.530 103.236-100.507 + 116.899 -11.070 129.287-141.893 + 118.177 0.000 144.000-101.964 + # 28 total E -5.49672E+01 rmsd from N 0.000 %NC 0.00 + 117.305 168.527 142.613 -9.438 + 90.920 85.896 131.761 18.175 + 93.099 36.567 175.482-176.321 + 93.057 66.059 137.374-103.247 + 91.793 -71.656 127.360-157.694 + 130.581-177.165 134.671 -39.694 + 120.147-160.234 175.691-157.973 + 126.345 -90.871 123.453-119.039 + 122.103-175.140 152.584 -14.184 + 138.497 -70.481 0.000 0.000 + 110.771 -11.659 0.000 0.000 + 93.372 104.140 101.429 -99.875 + 121.137-110.675 116.529 -81.761 + 134.171 -91.705 153.119 -59.841 + 129.444-118.589 0.000 0.000 + 130.041 -81.531 123.557 -48.916 + 113.763-142.213 100.344 -85.000 + 112.268 136.069 119.294-126.912 + 106.265 -29.650 99.173-101.391 + 118.802 0.000 144.876-105.124 + # 29 total E -5.48290E+01 rmsd from N 0.000 %NC 0.00 + 119.728-161.225 139.150 -12.808 + 119.492-104.869 142.233 -85.489 + 94.339 113.525 136.512-111.123 + 123.778 -97.247 166.219-116.706 + 113.571 139.397 134.613 106.769 + 131.228-103.204 93.063-122.215 + 109.227 120.679 149.728-126.566 + 121.877 -96.432 129.488-135.790 + 113.669 8.498 149.941 -19.770 + 96.391 92.174 0.000 0.000 + 116.624 -46.784 0.000 0.000 + 92.876 72.413 132.192-153.576 + 93.530 114.363 118.126 -80.484 + 90.478 -38.148 118.141 -78.082 + 97.096 -67.866 0.000 0.000 + 103.522-169.586 113.515 -22.445 + 121.050-113.218 116.999-121.930 + 118.562-147.985 114.359-115.354 + 115.040-111.752 138.779-155.637 + 94.649 0.000 116.381 -77.303 + # 30 total E -5.47545E+01 rmsd from N 0.000 %NC 0.00 + 118.472 -72.310 104.837 -71.763 + 110.384 -87.531 127.155 -65.671 + 110.749-174.320 119.431 -69.530 + 123.470-170.070 140.685 -97.821 + 103.415 178.583 139.516-131.819 + 131.057-172.312 163.973 178.714 + 115.667-179.102 168.870-144.654 + 127.786-172.722 149.357 160.896 + 121.209 -64.701 150.185 -20.452 + 95.911 67.337 0.000 0.000 + 93.883 34.719 0.000 0.000 + 98.384 169.905 126.960-144.136 + 116.365 172.139 119.872 -79.798 + 131.741-176.873 126.553 -79.173 + 94.693 65.345 0.000 0.000 + 113.909 -74.210 110.522 -59.097 + 115.710-110.706 121.675-131.467 + 113.571-145.583 100.911 -90.458 + 117.029-120.858 128.616-138.817 + 94.775 0.000 117.514 -78.160 + # 31 total E -5.46121E+01 rmsd from N 0.000 %NC 0.00 + 93.708 19.632 106.128 -80.813 + 93.372 153.817 135.641 -29.189 + 105.360 167.381 125.048-121.474 + 126.892 -55.645 166.685-134.950 + 91.856 117.150 124.206-124.818 + 117.648 -73.798 82.379 -83.524 + 109.501-168.402 151.564-165.931 + 135.364-177.181 138.035-123.697 + 92.475 -32.256 106.565 -80.329 + 109.470 -82.709 0.000 0.000 + 128.473 -52.744 0.000 0.000 + 121.665 178.023 118.677-120.165 + 93.949 87.466 114.182 -77.257 + 117.757-115.783 117.081 -79.015 + 95.817 76.912 0.000 0.000 + 136.021 -82.418 133.871 -54.849 + 120.320-161.474 117.817-123.270 + 92.681 50.223 99.159 -95.019 + 92.916 121.357 132.948-158.831 + 119.542 0.000 118.960 -81.485 + # 32 total E -5.42310E+01 rmsd from N 0.000 %NC 0.00 + 93.826 116.318 146.384 -24.540 + 118.384-176.765 151.759 -15.934 + 118.778-179.829 169.767 169.138 + 123.453-168.132 172.250 178.499 + 120.285-160.809 113.947 -47.324 + 124.727-112.944 126.611 131.232 + 124.376-179.052 152.453-138.026 + 112.704 176.262 112.181-122.901 + 128.009-178.226 116.290 -78.722 + 123.184 8.853 0.000 0.000 + 119.789 -43.038 0.000 0.000 + 110.507 110.871 130.214-143.573 + 132.346-100.646 151.945 -79.956 + 129.275-161.203 122.640 -80.610 + 136.156-106.218 0.000 0.000 + 127.340 -86.755 113.436-121.584 + 118.668-107.930 118.353-125.092 + 118.563-137.846 111.140-111.465 + 118.342-117.828 118.823-123.321 + 121.157 0.000 121.935 -79.568 + # 33 total E -5.40913E+01 rmsd from N 0.000 %NC 0.00 + 119.117-135.064 110.907 -81.132 + 117.225 172.867 144.894 -26.050 + 114.572 154.316 136.403-122.848 + 125.208-129.764 161.184-103.582 + 91.334 118.340 129.862-131.374 + 93.096 63.543 122.215 30.247 + 91.200 36.443 152.064-143.518 + 92.754 74.745 126.839-136.728 + 94.033 15.942 145.496 -32.588 + 135.967 -77.745 0.000 0.000 + 109.502 -22.756 0.000 0.000 + 105.898-174.448 130.062-145.892 + 123.075-175.084 141.338 -50.079 + 94.011 124.090 115.579 -76.242 + 134.129 -69.044 0.000 0.000 + 93.221 83.302 115.676 -58.708 + 131.070-169.762 104.426 -98.576 + 127.127-170.914 104.915-100.123 + 116.887-118.629 132.995-150.575 + 121.831 0.000 121.844 -80.682 + # 34 total E -5.39917E+01 rmsd from N 0.000 %NC 0.00 + 116.615-139.819 152.026-149.461 + 128.209-176.478 176.455-156.464 + 121.635 171.111 166.803 160.509 + 113.149-177.737 167.849-112.819 + 92.745 79.963 132.862-112.050 + 119.279 -93.774 112.364-115.884 + 93.482 105.564 151.173-154.299 + 135.057-105.915 140.290 -97.792 + 127.836-162.183 108.626 -78.679 + 126.977 172.514 0.000 0.000 + 113.966 -5.092 0.000 0.000 + 119.014-143.605 108.247-107.788 + 93.935 110.170 136.746 -49.463 + 92.095 -9.612 111.881 -78.478 + 103.369 -89.732 0.000 0.000 + 110.514-116.775 135.749 57.610 + 118.350-109.990 119.687-128.124 + 118.884-148.029 113.083-113.129 + 112.580 133.565 137.725-155.279 + 119.712 0.000 120.144 -80.521 + # 35 total E -5.37926E+01 rmsd from N 0.000 %NC 0.00 + 112.605 156.048 149.072 -38.704 + 91.703 89.257 132.706 4.223 + 91.394 45.358 106.566 -91.689 + 91.369 52.721 145.559-100.676 + 91.401 -77.559 130.211-146.123 + 129.228-179.646 137.327 -56.124 + 92.817 105.983 142.840-104.895 + 120.726 -85.546 128.529-140.846 + 119.720 -61.758 149.867 -19.979 + 125.011-166.713 0.000 0.000 + 132.115 -51.542 0.000 0.000 + 107.116 175.446 98.431 -90.547 + 125.170-178.823 121.174 -80.346 + 125.434-173.973 121.909 -80.003 + 135.684-102.177 0.000 0.000 + 126.398-101.640 125.226 -52.009 + 120.768 133.177 118.047-123.752 + 122.809-173.051 119.420-121.520 + 93.651 58.677 101.166 -97.820 + 93.322 0.000 114.380 -77.708 + # 36 total E -5.36540E+01 rmsd from N 0.000 %NC 0.00 + 124.430-126.977 175.183-165.913 + 116.547 177.136 151.513 -21.881 + 113.004 107.631 169.236 168.423 + 121.057 -98.817 111.919 -70.972 + 90.534 69.582 130.972-164.862 + 92.156 107.102 129.323 -6.690 + 92.362 -70.309 123.927 -98.963 + 122.319-169.024 136.485 137.889 + 118.063-178.373 156.615-137.222 + 96.747 74.624 0.000 0.000 + 132.133 -75.305 0.000 0.000 + 99.946 -36.809 96.561 -91.649 + 93.289 138.478 114.325 -76.371 + 117.107-178.345 134.868-126.744 + 130.212 176.769 0.000 0.000 + 129.487 -99.456 106.085 -55.740 + 117.782-108.448 115.622-120.541 + 119.352-141.899 109.433-109.800 + 118.586 -2.524 126.485-133.542 + 118.844 0.000 120.277 -80.284 + # 37 total E -5.35677E+01 rmsd from N 0.000 %NC 0.00 + 119.910 -96.896 143.427 -11.831 + 120.000 -88.900 132.372 -70.921 + 95.900 156.571 128.169-111.536 + 93.050 58.088 138.870-103.248 + 90.939 87.609 110.658 -68.391 + 102.496 -0.053 128.597 -48.725 + 93.827 -85.263 154.839-145.691 + 127.229 -77.431 124.085 117.841 + 125.488-171.151 114.614 -81.914 + 141.275 -62.654 0.000 0.000 + 95.515 12.769 0.000 0.000 + 104.660 -80.999 130.554-147.596 + 123.977 -43.301 122.775 -78.198 + 138.365-173.180 128.794 -86.790 + 95.946 150.643 0.000 0.000 + 134.364 -84.392 147.377-124.311 + 118.492-109.027 112.539-119.840 + 119.104-141.061 109.231-108.140 + 114.874 132.262 129.695-141.156 + 119.623 0.000 119.460 -80.948 + # 38 total E -5.34003E+01 rmsd from N 0.000 %NC 0.00 + 93.863 92.228 142.465 -26.784 + 118.531 179.691 157.041 -8.472 + 110.199 140.237 169.678-167.463 + 127.504 -67.508 135.145 -74.533 + 91.622 -74.707 95.411 -54.891 + 93.392 104.855 103.640 136.048 + 92.060 151.440 144.360 -26.666 + 92.187 80.012 145.910-141.214 + 92.503 117.107 142.250-120.040 + 131.936 -81.865 0.000 0.000 + 105.837 -34.614 0.000 0.000 + 95.214 164.086 103.308-102.126 + 94.215 99.392 124.101-148.455 + 122.881 166.400 122.302 -80.137 + 95.297 98.626 0.000 0.000 + 127.750 -85.214 116.221-134.258 + 119.378-111.123 116.282-121.750 + 119.473-141.388 111.089-110.745 + 113.734 134.544 131.325-143.428 + 118.720 0.000 142.296-110.556 + # 39 total E -5.33164E+01 rmsd from N 0.000 %NC 0.00 + 93.755 11.744 107.939 -79.565 + 117.763 173.480 151.299 -33.366 + 93.020 81.857 134.543-107.076 + 91.212 70.213 137.901-110.488 + 90.342 140.340 104.127 -81.320 + 91.463 105.725 119.554 24.960 + 92.241 125.155 127.812-127.997 + 118.835 -75.353 136.963-122.586 + 111.524 -54.447 105.187 -81.016 + 127.760 -3.427 0.000 0.000 + 95.585 169.663 0.000 0.000 + 116.906 161.477 127.120-135.391 + 124.149 172.974 120.602 -80.410 + 126.270 -65.441 121.752 -79.999 + 126.052 70.587 0.000 0.000 + 130.167 -81.002 141.268-164.634 + 118.290-109.238 120.419-128.957 + 113.305-141.528 96.689 -92.592 + 110.582-135.349 101.408 -97.774 + 120.630 0.000 143.041-147.087 + # 40 total E -5.31372E+01 rmsd from N 0.000 %NC 0.00 + 116.789-179.768 114.308 -81.038 + 91.379 84.882 127.071 7.739 + 91.907 32.126 91.970 -81.390 + 93.628 70.091 140.363-101.548 + 91.856 -38.201 131.078-152.303 + 124.498-163.465 140.996 -35.343 + 118.375-175.704 139.707-132.688 + 126.069-176.787 128.023-119.731 + 115.839-179.137 150.632 -19.636 + 140.118-173.927 0.000 0.000 + 92.578 42.422 0.000 0.000 + 95.908-145.570 129.860-150.979 + 127.259-166.849 122.207 -80.179 + 125.799-175.367 121.895 -78.434 + 95.111 85.402 0.000 0.000 + 124.337 -72.870 142.497 176.309 + 118.653 140.181 119.001-126.280 + 99.530-172.332 101.486-101.637 + 117.570-111.084 126.852-138.269 + 120.212 0.000 143.489-109.077 + # 41 total E -5.25109E+01 rmsd from N 0.000 %NC 0.00 + 117.638-152.023 149.161 -22.004 + 115.891 169.069 150.670 -25.612 + 127.168 52.321 163.551 163.843 + 128.565 -76.412 156.075 -65.536 + 92.192 177.827 95.473 -56.473 + 126.828 173.274 152.192-154.654 + 91.802 95.713 147.234 -83.031 + 91.518 103.652 103.257 -80.523 + 91.925 -80.906 135.718-143.787 + 95.599 164.917 0.000 0.000 + 130.123-133.472 0.000 0.000 + 92.400 57.964 103.801-102.438 + 92.349 178.161 112.928 -77.001 + 122.365 148.072 133.807 179.320 + 131.300 -81.041 0.000 0.000 + 118.927-130.475 116.141 -34.808 + 118.465-105.677 141.847-158.872 + 119.008-136.288 105.821-105.987 + 117.994-123.850 121.671-126.895 + 120.838 0.000 147.644-132.222 + # 42 total E -5.22017E+01 rmsd from N 0.000 %NC 0.00 + 119.413-119.278 110.713 -80.411 + 117.421 179.006 142.632 -33.580 + 129.004 166.968 162.769 167.308 + 116.715 102.221 174.023-161.335 + 125.868-109.706 138.333 -91.895 + 93.590 96.444 100.164-138.913 + 93.186 -83.274 142.379 -99.965 + 123.706-169.097 134.900 146.217 + 122.391 179.618 144.477 -35.126 + 132.193 30.140 0.000 0.000 + 95.316 30.497 0.000 0.000 + 102.801 167.047 97.677 -77.832 + 115.633 173.821 143.788-149.405 + 121.018-178.251 124.684 -88.128 + 96.171 85.559 0.000 0.000 + 122.554 -83.669 99.970-112.640 + 105.947 132.623 117.514-130.845 + 125.603-171.105 112.914-111.377 + 117.292 -6.462 124.742-131.737 + 93.415 0.000 115.837 -76.957 + # 43 total E -5.19579E+01 rmsd from N 0.000 %NC 0.00 + 119.560-119.687 110.156 -79.317 + 121.191-178.506 161.987-143.747 + 129.489 174.278 160.502-174.670 + 122.745 166.376 159.430 -53.133 + 91.807 -63.302 120.323-120.205 + 92.843 148.265 91.344 -77.113 + 92.100 119.033 134.384-120.204 + 89.911 -34.564 117.215-131.111 + 90.836 -61.318 143.846-129.758 + 94.082 13.022 0.000 0.000 + 120.794 -59.801 0.000 0.000 + 105.219 166.740 131.294-148.554 + 122.391 175.884 150.769-116.905 + 125.963 -91.707 121.917 -80.234 + 125.556-176.403 0.000 0.000 + 128.750 -88.706 118.962 -54.701 + 117.883-108.487 118.470-124.836 + 119.065-141.604 110.839-110.486 + 115.961 -2.037 129.364-139.754 + 118.817 0.000 120.321 -80.147 + # 44 total E -5.19180E+01 rmsd from N 0.000 %NC 0.00 + 117.411-159.266 148.434 -24.255 + 118.705 178.962 159.076 -13.181 + 128.278 118.042 162.633 175.178 + 123.175-122.985 121.726 -70.908 + 91.722 73.431 117.714 -61.672 + 121.586 -70.260 145.600 132.449 + 107.327-172.238 153.492 -23.816 + 128.327-174.769 111.983-118.944 + 117.749-178.947 150.933 -18.468 + 135.807 -68.915 0.000 0.000 + 127.617 -38.058 0.000 0.000 + 130.375 174.598 100.651 -90.960 + 93.250 89.333 114.794 -76.617 + 94.316 -10.556 113.810 -77.242 + 127.656 -30.099 0.000 0.000 + 128.212 -79.395 142.976 175.060 + 118.883-110.935 112.400-116.565 + 118.859-138.186 114.438-115.757 + 116.965-118.668 128.568-136.540 + 121.824 0.000 121.637 -80.958 + # 45 total E -5.18518E+01 rmsd from N 0.000 %NC 0.00 + 93.627 49.901 143.974-128.499 + 92.955 173.771 157.648 -21.178 + 95.459 91.386 176.417 179.932 + 116.585 -98.651 112.453 -60.558 + 91.477 174.420 145.717 65.105 + 93.730 84.662 128.215 -18.954 + 91.758 113.957 131.330-102.795 + 91.649 -49.285 121.481-144.231 + 92.142 -49.075 147.171 -24.136 + 112.558-166.540 0.000 0.000 + 124.064 -34.003 0.000 0.000 + 92.416 66.763 96.458 -85.810 + 91.149 87.786 135.445 158.568 + 92.498 -1.212 114.707 -81.990 + 112.559 -46.383 0.000 0.000 + 130.019 83.476 136.901-145.385 + 129.287-168.930 110.025-107.365 + 120.330-112.514 110.629-109.954 + 122.192 113.604 115.551-117.734 + 93.442 0.000 114.753 -77.642 + # 46 total E -5.17725E+01 rmsd from N 0.000 %NC 0.00 + 93.798 101.874 145.279 -27.430 + 116.316 173.602 151.613 -28.687 + 115.800 174.419 116.839 -65.223 + 93.761 75.160 133.138-118.949 + 113.767 -87.589 131.426 -20.168 + 117.985-168.935 140.385-132.889 + 119.250 179.564 153.560 -25.786 + 116.425-179.328 118.160-131.089 + 121.982 -56.037 159.595-161.110 + 130.145 -10.312 0.000 0.000 + 123.625 -35.329 0.000 0.000 + 94.190 91.875 131.439-154.230 + 131.915-125.178 120.634 -81.658 + 130.392-175.452 124.817 -79.066 + 95.000 77.825 0.000 0.000 + 123.805 -82.702 95.904-103.549 + 114.534 133.263 116.541-125.240 + 92.427 126.044 105.555-118.599 + 92.769 130.560 101.008-115.822 + 118.323 0.000 130.532-139.593 + # 47 total E -5.14256E+01 rmsd from N 0.000 %NC 0.00 + 93.723 37.683 107.391 -79.845 + 92.175 87.789 140.434 -97.202 + 93.541 106.484 176.444 177.772 + 93.549 -3.640 167.862-160.090 + 92.187 -85.990 125.210 -49.080 + 92.724 169.617 126.427 -27.330 + 91.121 91.023 119.495-132.041 + 91.505 100.339 133.646-109.558 + 93.284 -12.768 109.596 -92.257 + 96.386 173.901 0.000 0.000 + 133.702 -54.067 0.000 0.000 + 94.513 -34.052 99.023-102.940 + 93.231 107.567 114.261 -76.480 + 122.520-149.435 120.163 -84.978 + 133.294-108.346 0.000 0.000 + 134.901 -87.833 150.110 -79.094 + 108.834-168.120 96.906-126.104 + 93.029 51.726 124.745-145.262 + 93.366 44.940 129.295-152.179 + 93.318 0.000 115.696 -76.445 + # 48 total E -5.13673E+01 rmsd from N 0.000 %NC 0.00 + 93.857 126.320 149.332 -15.058 + 127.678 -59.380 157.003-130.903 + 117.856 84.923 98.037 -86.217 + 129.352 -99.384 166.033-172.785 + 92.356 81.696 129.710-131.128 + 93.304 98.548 100.305 -94.964 + 110.353-105.403 142.989-136.080 + 124.193-177.626 134.429-135.839 + 122.571-179.854 152.773 -16.954 + 129.281 14.506 0.000 0.000 + 122.565 -36.523 0.000 0.000 + 110.140 112.688 130.469-144.100 + 128.662 -99.154 120.094 -80.657 + 127.257 -62.148 121.882 -80.135 + 129.718 -22.549 0.000 0.000 + 133.955 -80.879 145.406 146.084 + 119.308-118.027 102.755-104.313 + 105.804-167.574 102.689-102.036 + 115.905-118.593 133.841-147.735 + 120.977 0.000 149.320-102.883 + # 49 total E -5.11815E+01 rmsd from N 0.000 %NC 0.00 + 116.652-142.162 152.323-148.909 + 121.908-175.620 158.368-154.843 + 130.334 -95.919 150.464 3.336 + 122.226-168.557 121.952 -69.962 + 91.010 91.794 119.614 -88.237 + 92.488 62.488 114.466 138.483 + 92.081 142.014 149.955 -30.544 + 91.581 77.529 135.566-112.442 + 94.211 33.359 101.713 -82.193 + 146.697 -69.631 0.000 0.000 + 118.176 -13.682 0.000 0.000 + 108.506-144.030 93.809 -77.406 + 132.063-166.590 120.802 -86.838 + 132.128 -61.343 119.689 -82.526 + 96.168 62.534 0.000 0.000 + 129.664-150.102 78.685 -67.624 + 94.088 116.268 130.784-154.908 + 109.076-175.489 120.049-127.116 + 114.128 144.199 135.466-151.270 + 119.164 0.000 144.950-103.517 + # 50 total E -5.07800E+01 rmsd from N 0.000 %NC 0.00 + 93.605 44.449 143.609-132.137 + 92.551 155.491 139.605 -45.545 + 94.167 70.948 176.407-176.782 + 93.732 -5.693 122.675 -63.504 + 122.948-101.114 132.473-111.779 + 142.830 1.670 124.312 141.795 + 94.706 90.374 141.160 -48.772 + 128.340-110.845 149.578 157.429 + 126.351 -78.279 114.000 -78.957 + 96.475 58.144 0.000 0.000 + 94.276 37.713 0.000 0.000 + 90.727 61.901 101.207 -99.275 + 90.470 134.121 118.054 -75.736 + 92.933 -63.290 114.853-149.274 + 95.323 78.051 0.000 0.000 + 126.937 -86.318 89.213 -89.829 + 124.221-170.675 114.806-116.426 + 92.723 49.353 104.630-114.230 + 106.042-108.143 127.756-144.244 + 94.581 0.000 116.589 -77.451 + # 51 total E -5.07600E+01 rmsd from N 0.000 %NC 0.00 + 93.709 43.205 108.694 -80.445 + 92.894 109.452 150.817 -37.092 + 127.540 -95.771 154.527 3.863 + 123.065-167.704 130.312 -60.503 + 92.089 -65.163 104.280-110.542 + 109.050-176.270 136.343 -31.271 + 122.133-178.691 146.438-155.948 + 117.611 178.947 148.991-105.567 + 126.305-177.550 111.476 -82.536 + 116.809 32.689 0.000 0.000 + 92.240 48.240 0.000 0.000 + 89.877 61.366 98.562-102.873 + 89.881 142.049 112.132 -76.940 + 94.523 -62.628 112.453 -80.132 + 95.308 75.353 0.000 0.000 + 127.100 -91.003 81.617 -73.280 + 123.577-166.471 114.214-115.685 + 120.429-112.387 117.538-118.901 + 121.123 115.624 121.131-123.467 + 93.392 0.000 114.806 -75.034 + # 52 total E -5.07572E+01 rmsd from N 0.000 %NC 0.00 + 93.747 85.994 147.506 -32.205 + 117.541-179.356 152.290 -20.205 + 112.749 174.383 116.118 -64.783 + 92.008 79.864 124.851-112.098 + 90.854 8.973 95.543 -90.793 + 101.564 -98.319 159.910 19.977 + 123.110 178.011 154.632-168.458 + 121.681-179.734 150.008 -75.457 + 119.806 -66.807 157.002-154.610 + 125.234-168.909 0.000 0.000 + 124.651 -56.757 0.000 0.000 + 111.040 14.573 90.766 -80.100 + 92.433 -64.513 113.587 -79.228 + 90.041 2.145 114.499 -75.146 + 120.042 -30.231 0.000 0.000 + 123.617 -72.145 138.895 -34.754 + 113.802-143.405 98.100 -83.165 + 112.517 135.835 120.074-128.351 + 106.445-119.670 101.115-102.294 + 120.596 0.000 145.020-121.872 + # 53 total E -5.07058E+01 rmsd from N 0.000 %NC 0.00 + 118.475-151.143 146.891 -19.661 + 121.284-178.639 160.178-150.516 + 121.399 174.325 155.400 0.691 + 119.021 174.284 164.056-110.999 + 91.266 71.176 147.014-151.001 + 91.620 130.765 142.137 11.957 + 92.118 76.593 121.241-122.665 + 91.912 132.652 119.877 152.660 + 122.736 162.928 142.170 -40.935 + 114.186 153.634 0.000 0.000 + 134.724 -66.807 0.000 0.000 + 108.410 -68.655 128.669-142.397 + 91.521 75.294 114.888 -76.403 + 93.890 132.445 113.148 -77.111 + 139.376 -87.741 0.000 0.000 + 123.783-105.467 118.499 -48.187 + 119.146 131.908 120.688-128.332 + 92.756 125.458 106.276-111.986 + 92.612 131.436 101.229-116.787 + 118.354 0.000 129.908-139.411 + # 54 total E -5.06351E+01 rmsd from N 0.000 %NC 0.00 + 93.788 16.227 146.195 -28.160 + 117.927-174.790 149.996 -16.389 + 129.845 -99.191 168.486 164.182 + 124.435-169.885 137.215 -77.131 + 113.363 179.077 131.382 -16.988 + 122.416-178.674 148.655-117.450 + 114.735 177.281 148.334-102.415 + 128.082 179.826 137.935-130.846 + 120.232 179.513 110.644 -75.659 + 137.738 -62.033 0.000 0.000 + 93.204 48.024 0.000 0.000 + 91.011 38.977 96.242 -96.206 + 92.756-103.087 110.656 -76.904 + 124.236 -75.082 149.113 -66.143 + 123.032 62.938 0.000 0.000 + 125.910 -79.402 152.833 -30.982 + 118.527-114.849 111.137-113.653 + 116.239-137.693 131.804-142.971 + 112.826-127.099 100.326 -87.331 + 120.719 0.000 146.478-134.048 + # 55 total E -5.06169E+01 rmsd from N 0.000 %NC 0.00 + 117.290-132.829 153.560-150.529 + 117.063 170.056 141.177 -29.427 + 94.624 81.724 131.823 116.208 + 129.546 -98.818 160.000 -43.630 + 92.044 105.400 91.960 -75.642 + 103.402 4.268 144.043-125.519 + 93.161-102.275 145.992 -92.163 + 109.987 166.539 129.619 146.108 + 123.206 -80.941 149.118 -33.107 + 95.621 81.352 0.000 0.000 + 150.393 -27.593 0.000 0.000 + 127.290-156.838 105.534-101.612 + 108.206 165.576 117.760 -78.221 + 123.009 -67.625 118.023 -81.444 + 114.391 -18.617 0.000 0.000 + 121.015 -93.534 138.272 159.133 + 126.783 133.319 121.087-124.939 + 127.144-173.411 113.824-109.802 + 116.391-118.640 131.836-144.120 + 120.935 0.000 148.977-105.056 + # 56 total E -5.05302E+01 rmsd from N 0.000 %NC 0.00 + 93.807 79.610 151.189-162.813 + 91.857 92.011 153.977 -92.322 + 93.739 63.141 82.883 -91.013 + 113.793 -84.393 163.851-134.793 + 102.401 179.838 137.187-132.296 + 132.718-178.171 146.655-171.425 + 119.291-177.111 153.630 -17.388 + 118.900-178.382 119.180-123.852 + 120.990-179.436 158.049-159.099 + 136.636 -71.615 0.000 0.000 + 131.201 -38.695 0.000 0.000 + 91.900 63.036 103.058-104.338 + 90.682 61.399 112.482 -76.664 + 92.835 40.312 112.196 -80.247 + 95.698 71.823 0.000 0.000 + 121.426 -78.136 133.280-111.979 + 119.348-159.547 118.743-126.348 + 93.497 116.709 106.562-105.305 + 92.760 131.020 100.561-106.435 + 118.450 0.000 132.014-139.072 + # 57 total E -5.04474E+01 rmsd from N 0.000 %NC 0.00 + 116.751-175.166 108.308 -82.769 + 123.750-178.821 152.382-141.584 + 120.643 166.850 142.541 -33.660 + 92.710 82.948 130.754-117.390 + 91.200 -31.603 109.507 -36.594 + 126.346-172.268 134.567 -49.882 + 120.496 175.742 148.586-138.754 + 121.494-171.248 163.922-120.398 + 94.614 16.311 145.294-122.870 + 96.897 90.444 0.000 0.000 + 124.062 -39.101 0.000 0.000 + 93.638 77.531 90.893 -82.953 + 143.138-112.570 127.929 -81.269 + 126.451 -58.006 120.446 -80.017 + 119.555 -6.511 0.000 0.000 + 107.840 90.350 120.963 -30.082 + 121.456-107.317 108.862-111.689 + 118.421-142.996 133.198-141.864 + 135.477 0.231 104.366 -92.678 + 117.333 0.000 131.438-122.686 + # 58 total E -5.02974E+01 rmsd from N 0.000 %NC 0.00 + 113.317 162.939 151.192-132.790 + 91.490 75.354 143.973-118.552 + 90.899 49.122 121.514 -38.958 + 91.340 68.491 133.237 -96.761 + 90.365 21.691 127.648 -71.592 + 102.022 -95.272 96.192-115.229 + 121.022-173.278 151.260-133.714 + 120.087 177.846 137.474 151.653 + 93.388 -57.625 103.510 -68.470 + 95.774 7.550 0.000 0.000 + 117.566 -52.239 0.000 0.000 + 92.921 -32.933 134.573-160.320 + 93.254 102.278 115.272 -76.617 + 125.553 175.905 119.741 -81.115 + 118.801 67.577 0.000 0.000 + 123.701 -74.829 144.150 -44.272 + 119.343-142.699 112.813-115.733 + 101.162-172.666 103.521-101.387 + 116.360 143.423 130.394-144.065 + 119.084 0.000 144.139-106.381 + # 59 total E -5.01221E+01 rmsd from N 0.000 %NC 0.00 + 94.070 133.712 139.955 -1.196 + 114.182 109.486 154.132-153.913 + 132.279 -78.126 145.086 -3.625 + 107.941 -49.304 160.060-111.035 + 120.859-173.375 145.445-138.594 + 118.404 169.782 107.948-138.553 + 92.290 107.058 142.754 -43.451 + 94.764 163.870 118.303-153.362 + 119.319-174.537 151.668 -16.920 + 137.429 -61.658 0.000 0.000 + 109.170 -23.744 0.000 0.000 + 97.137 166.578 101.683 -98.671 + 125.027 179.792 141.367-135.088 + 119.419 119.274 146.746 -72.427 + 133.131-100.720 0.000 0.000 + 119.999 -93.353 141.925 52.938 + 119.271-109.898 119.052-121.573 + 116.650-108.940 120.615-124.874 + 111.540-147.174 95.800 -89.656 + 124.513 0.000 123.524 -85.125 + # 60 total E -5.00996E+01 rmsd from N 0.000 %NC 0.00 + 117.790-157.110 148.333 -21.673 + 111.568 165.482 145.829 -34.588 + 93.409 75.407 108.141 -80.925 + 93.653 159.954 141.651 -88.481 + 92.269 79.480 140.278-133.057 + 130.642 -63.616 106.232-106.170 + 90.936 76.968 140.669 166.055 + 91.578 11.838 132.459 -94.110 + 95.789 -85.499 149.877 -24.274 + 130.617 -53.345 0.000 0.000 + 93.534 -32.095 0.000 0.000 + 96.474 159.247 132.889-155.410 + 121.335 174.622 119.325 -79.801 + 128.926 178.897 160.004 -39.940 + 121.998 172.598 0.000 0.000 + 129.813 -85.454 135.739 165.960 + 120.023-166.036 118.293-124.634 + 92.564 54.230 127.296-147.990 + 93.313 24.188 93.487 -94.869 + 93.384 0.000 117.160 -77.600 + # 61 total E -5.00770E+01 rmsd from N 0.000 %NC 0.00 + 93.903 98.718 139.950 -24.078 + 118.288 175.849 145.711 -8.513 + 109.840 -67.211 139.307-118.985 + 123.627 66.873 137.289-107.796 + 89.552 -76.712 98.798 -50.520 + 91.177 0.254 122.772 -53.899 + 108.606 79.209 153.842 -19.289 + 140.007 -84.472 151.620 135.040 + 124.061-168.600 155.532 -11.564 + 128.500-177.830 0.000 0.000 + 126.156 -28.345 0.000 0.000 + 92.274 69.699 102.301-101.072 + 92.278 154.531 130.851-120.694 + 136.157 154.480 123.035 -85.645 + 131.873-106.443 0.000 0.000 + 126.414-108.586 111.774 -46.936 + 116.425-107.637 131.351-146.114 + 113.499-137.296 101.288 -83.494 + 93.521 84.126 128.832-152.076 + 93.263 0.000 110.958 -77.193 + # 62 total E -5.00379E+01 rmsd from N 0.000 %NC 0.00 + 118.093-153.579 147.638 -20.979 + 111.090 158.141 140.016 -38.831 + 92.377 89.558 107.192 -70.577 + 94.553 4.786 130.609 -86.843 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-83.014 + 117.263 64.404 119.794 -78.884 + 95.520 82.694 0.000 0.000 + 122.445 -71.512 126.001 -92.020 + 115.613-113.608 90.418 -86.127 + 119.026-146.793 112.092-112.837 + 114.979-126.467 137.281-155.770 + 121.081 0.000 149.336-129.315 + # 64 total E -4.98513E+01 rmsd from N 0.000 %NC 0.00 + 118.324-148.471 147.535 -20.157 + 117.553 170.292 134.895 -68.401 + 128.612 103.898 161.687 157.412 + 83.294 -58.496 133.353 -89.851 + 89.472 -55.870 103.406 -51.175 + 90.673 130.520 99.023 -60.718 + 92.055 91.862 157.921-175.546 + 91.899 8.107 146.286-157.273 + 94.399-168.695 147.267 -28.077 + 124.529 176.698 0.000 0.000 + 92.974 51.058 0.000 0.000 + 90.306 37.862 86.740 -83.982 + 92.672-136.413 109.977 -77.315 + 93.825 42.863 115.695 -76.060 + 161.339 -52.807 0.000 0.000 + 94.596 156.333 138.873 -64.646 + 94.302 133.182 91.958-117.684 + 125.695-171.814 111.912-110.216 + 107.096 -6.678 95.511-100.890 + 93.431 0.000 114.788 -77.237 + # 65 total E -4.98488E+01 rmsd from N 0.000 %NC 0.00 + 115.947 178.755 145.674 -28.729 + 114.359 176.456 154.299 -13.612 + 132.026 -84.690 165.724 178.582 + 90.751 64.205 130.707 -97.843 + 90.526 26.367 104.920-104.807 + 98.458 -88.582 93.164-111.397 + 132.053-175.931 157.489-151.384 + 124.193-176.556 142.329-102.830 + 121.720-178.014 151.284 -18.515 + 126.291 172.116 0.000 0.000 + 134.401 -57.134 0.000 0.000 + 117.476 176.485 126.359-133.289 + 124.243-179.638 147.223-101.416 + 125.587-179.168 121.758 -80.093 + 127.000 171.408 0.000 0.000 + 128.973-102.515 140.403 78.172 + 121.866 132.581 119.734-126.269 + 92.854 128.020 104.028-104.413 + 105.183-103.189 101.455-113.571 + 94.629 0.000 134.146-131.425 + # 66 total E -4.97802E+01 rmsd from N 0.000 %NC 0.00 + 119.547-124.717 109.732 -79.172 + 121.388-178.728 158.704-152.204 + 123.157 175.484 153.996 -0.785 + 119.479-178.595 165.552-128.658 + 115.513-176.568 163.291-150.895 + 130.895-178.166 150.853 177.301 + 114.631 175.186 151.209 -28.896 + 109.374 161.651 123.263 144.110 + 118.561 -68.374 126.031 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93.093 96.190 127.841-149.743 + 121.260 0.000 120.604 -85.928 + # 68 total E -4.93151E+01 rmsd from N 0.000 %NC 0.00 + 116.556-142.250 152.091-147.184 + 123.608-177.485 166.471-147.184 + 128.572 177.278 165.142 167.624 + 133.883 179.081 156.196 -17.379 + 90.923 87.748 128.410-155.606 + 92.505 116.114 134.959 12.013 + 92.467 164.853 122.184-124.804 + 126.023-174.234 159.562-128.695 + 127.453 -51.884 171.148-165.130 + 131.100 81.333 0.000 0.000 + 123.344 -51.449 0.000 0.000 + 110.174 103.099 130.678-144.543 + 121.032 -96.705 145.300 -84.668 + 121.196-176.299 121.812 -79.717 + 135.348 174.810 0.000 0.000 + 123.390 -93.573 124.764 84.829 + 123.324 135.632 120.577-125.651 + 126.661-170.593 108.461-103.564 + 118.653-120.393 122.585-128.854 + 121.105 0.000 150.013-104.317 + # 69 total E -4.92621E+01 rmsd from N 0.000 %NC 0.00 + 116.782-137.884 152.377-150.931 + 120.393 176.604 134.733 -63.455 + 122.473 171.272 114.647 -89.902 + 119.514 85.109 125.897-117.688 + 90.769 -75.585 115.592 -34.385 + 93.414 151.168 124.821 -39.551 + 91.640 88.388 129.786-132.866 + 107.799-101.391 105.654-125.067 + 124.544 155.101 112.313 -79.965 + 122.885 10.744 0.000 0.000 + 115.972 -29.334 0.000 0.000 + 111.799-151.343 124.928-134.354 + 121.040 174.615 144.300 148.332 + 95.000 -60.782 113.782 -75.543 + 95.001 63.557 0.000 0.000 + 129.009 -98.903 114.381-124.377 + 125.923-163.569 120.435-121.356 + 120.863 53.851 111.607-109.013 + 114.781 -18.948 125.727-134.531 + 93.541 0.000 134.192 -97.319 + # 70 total E -4.88548E+01 rmsd from N 0.000 %NC 0.00 + 93.794 14.338 146.061 -28.236 + 115.391 176.592 148.744 -26.299 + 118.134-179.704 117.900 -75.137 + 120.088 173.231 159.573-124.276 + 92.572 95.437 133.620-104.629 + 124.741-111.774 99.483 -72.053 + 120.868 171.412 151.668-146.748 + 93.006 88.915 143.709-102.697 + 93.608 -74.809 103.084 -80.667 + 94.712 170.602 0.000 0.000 + 139.654 -52.989 0.000 0.000 + 102.081 -34.929 93.983 -96.023 + 93.216 125.954 135.696 -96.465 + 120.369 -68.463 120.392 -83.320 + 140.518 -22.833 0.000 0.000 + 130.178 -82.864 141.562-175.698 + 118.840-112.906 110.509-113.514 + 118.013-138.962 122.492-128.283 + 115.950-118.617 134.648-144.845 + 120.964 0.000 149.141-103.893 + # 71 total E -4.87146E+01 rmsd from N 0.000 %NC 0.00 + 93.618 16.345 144.130-132.184 + 115.761 175.869 152.779 -16.498 + 110.704 110.867 169.806 178.092 + 124.221 -97.390 123.159 -69.941 + 119.530-157.978 129.895 26.128 + 134.476-155.638 154.162 132.785 + 122.815 -87.860 163.466-152.345 + 129.414 173.506 149.963 177.467 + 93.131 -53.305 147.850 -24.161 + 95.078 71.524 0.000 0.000 + 137.029 -67.848 0.000 0.000 + 133.820 109.663 114.080-106.858 + 129.051-104.184 119.886 -77.401 + 127.808 -70.329 152.103 -69.522 + 132.244 -67.012 0.000 0.000 + 122.377-110.216 112.505 87.713 + 118.180-107.794 126.951-136.846 + 119.423-137.676 109.492-108.095 + 117.528-118.569 125.585-132.732 + 120.965 0.000 147.944-111.777 + # 72 total E -4.86626E+01 rmsd from N 0.000 %NC 0.00 + 93.728 127.874 148.301-123.860 + 108.424 106.850 153.775-139.786 + 123.524 -68.206 108.696 -81.096 + 111.828 -36.156 166.849-172.227 + 121.006-178.602 127.916 -21.448 + 124.869-168.857 110.038-123.796 + 121.574 -85.060 143.767 -98.829 + 116.528-172.043 106.452-108.647 + 127.521 175.611 154.888-174.689 + 121.038 14.485 0.000 0.000 + 112.781 -44.627 0.000 0.000 + 112.657 -85.252 126.418-136.319 + 91.371 84.336 116.459 -74.656 + 94.510 34.500 112.836 -77.950 + 96.819 66.060 0.000 0.000 + 134.351-104.358 128.315-119.079 + 107.783-171.306 93.697-109.450 + 124.099-141.945 123.348-125.548 + 127.290 134.313 110.093-104.036 + 118.968 0.000 143.390-120.102 + # 73 total E -4.85838E+01 rmsd from N 0.000 %NC 0.00 + 117.402-110.800 156.005 -17.653 + 121.907 165.123 151.143-131.585 + 93.154 74.465 166.083 6.505 + 94.050 99.896 137.217 -84.197 + 91.761 161.558 114.002 -22.594 + 113.349 165.398 144.508 127.600 + 92.910 93.226 152.843-118.061 + 126.671 -80.589 142.079 151.428 + 118.555-161.267 147.115 -24.961 + 95.810 60.629 0.000 0.000 + 92.404 28.079 0.000 0.000 + 95.094-145.172 128.181-148.586 + 117.967 167.296 150.497-109.133 + 121.869 -76.845 147.938 -75.467 + 132.674 -71.945 0.000 0.000 + 127.587-157.888 113.536 -81.405 + 93.212 115.613 97.435-120.453 + 127.132-105.084 128.149-128.830 + 92.773 71.891 92.645 -98.731 + 93.292 0.000 108.939 -80.122 + # 74 total E -4.85699E+01 rmsd from N 0.000 %NC 0.00 + 116.584-141.380 151.989-149.225 + 113.395 163.292 148.452 -36.621 + 94.573 88.157 119.476 -79.325 + 103.108 -91.588 117.410 -63.575 + 110.820 -58.739 86.301 94.334 + 125.414 -79.415 133.318 -43.919 + 91.455 63.156 141.825 155.408 + 91.534 69.229 130.938-130.424 + 92.182 -49.682 100.042 -88.937 + 122.450 -80.169 0.000 0.000 + 124.406 -35.632 0.000 0.000 + 114.459-179.168 122.337-129.121 + 130.160-101.623 120.604 -79.149 + 108.208 -74.605 117.734 -77.569 + 123.317 178.546 0.000 0.000 + 124.559 -99.904 99.286 -78.963 + 116.885-167.734 119.550-127.859 + 93.351 120.407 127.617-148.419 + 120.013-120.804 119.660-122.950 + 121.972 0.000 121.455 -81.063 + # 75 total E -4.85573E+01 rmsd from N 0.000 %NC 0.00 + 93.617 19.274 144.009-127.055 + 118.454-179.750 159.627-145.197 + 127.459 174.451 162.166-177.514 + 122.281 173.625 160.362 -66.633 + 92.354 162.263 129.524-124.181 + 104.783 163.475 144.583 -11.335 + 92.757 95.499 130.313-153.510 + 115.527 -88.140 127.142-132.956 + 116.348 -72.826 107.607 -79.865 + 129.641-173.974 0.000 0.000 + 130.212 -68.532 0.000 0.000 + 103.908 -35.765 125.648-139.568 + 91.159 98.973 113.765 -75.947 + 93.621 8.463 103.944 -77.385 + 131.122 -46.796 0.000 0.000 + 94.762 157.781 110.649-139.900 + 125.790-171.344 129.663-134.598 + 93.649 123.054 105.299 -98.894 + 125.288-120.087 109.839-107.099 + 121.659 0.000 121.305 -80.868 + # 76 total E -4.82754E+01 rmsd from N 0.000 %NC 0.00 + 115.649-136.191 145.755 -99.344 + 118.757 -91.881 168.070 -12.939 + 118.734 170.976 155.094 29.081 + 98.159 -48.075 160.822 149.902 + 90.610 -16.932 115.677 -19.781 + 123.343 170.057 176.464-161.586 + 91.718 74.202 141.211-124.065 + 121.118 -87.877 110.168 -92.859 + 106.978 -61.785 107.189 -81.082 + 121.676-166.613 0.000 0.000 + 103.369 -17.510 0.000 0.000 + 95.928 -64.017 86.478 -86.316 + 92.293 6.532 113.421 -75.271 + 121.168-102.927 148.742 -51.812 + 95.565 163.141 0.000 0.000 + 128.928 -88.727 131.564-129.677 + 118.510-109.009 117.641-124.518 + 119.288-137.753 110.572-110.143 + 117.473-118.547 125.851-132.908 + 120.892 0.000 148.038-111.712 + # 77 total E -4.81874E+01 rmsd from N 0.000 %NC 0.00 + 93.605 104.893 142.802-129.081 + 121.442 179.713 163.500-157.503 + 123.453 177.664 153.347 -4.323 + 120.982 167.131 160.605-120.757 + 91.802 172.550 143.746-130.987 + 93.268 96.183 152.400-130.895 + 91.650 -7.588 139.966 -42.502 + 95.995 -84.610 135.440-127.591 + 108.912 164.624 110.310 -80.313 + 128.559 13.223 0.000 0.000 + 120.579 -22.536 0.000 0.000 + 112.043 -87.577 93.094 -87.666 + 116.292 -34.147 114.528 -77.118 + 93.039 -41.863 108.005 -77.991 + 109.793 -18.348 0.000 0.000 + 108.209 -65.185 128.644 123.584 + 93.541 132.751 100.028-114.642 + 104.953-112.350 93.000-101.649 + 117.125-124.761 124.862-132.601 + 121.219 0.000 150.888-119.781 + # 78 total E -4.81467E+01 rmsd from N 0.000 %NC 0.00 + 93.767 11.589 146.399 -29.860 + 113.372 173.625 156.457-151.806 + 94.456 93.842 165.130 7.726 + 120.191 -93.278 109.679 -85.943 + 90.627 77.358 124.537 136.930 + 92.040 121.682 123.940 -33.560 + 91.708 116.406 130.163-128.125 + 93.896 -59.564 116.375-145.918 + 109.417 -62.151 148.209 -20.015 + 124.437-164.242 0.000 0.000 + 94.200 45.013 0.000 0.000 + 100.750 171.625 126.348-143.299 + 124.744 179.962 121.438 -80.596 + 124.733-179.479 149.252 -66.920 + 126.894 170.925 0.000 0.000 + 128.123-108.168 138.126 -40.075 + 120.193 122.472 119.714-127.315 + 92.881 50.660 124.514-144.838 + 93.087 94.669 127.934-150.199 + 93.430 0.000 127.998-115.482 + # 79 total E -4.81136E+01 rmsd from N 0.000 %NC 0.00 + 93.626 46.689 144.161-133.575 + 92.748 158.779 126.368 -76.685 + 118.387 117.829 109.403 -66.857 + 131.215-114.159 162.600-119.189 + 91.926 82.765 136.568-161.642 + 112.127 -58.756 136.181 8.549 + 91.816 90.433 143.782 -45.760 + 95.926 -65.145 141.593-122.158 + 126.086 -96.064 114.725 -75.737 + 97.089 113.717 0.000 0.000 + 133.649 -59.152 0.000 0.000 + 125.571 173.660 115.122-112.309 + 93.172 92.866 118.609 -79.449 + 93.891 13.481 113.151 -77.364 + 119.428 72.473 0.000 0.000 + 124.299 -89.035 138.470-155.865 + 105.963 133.904 99.573-109.545 + 128.570-143.607 112.509-108.353 + 117.916-121.284 126.872-134.092 + 121.145 0.000 149.624-113.690 + # 80 total E -4.80838E+01 rmsd from N 0.000 %NC 0.00 + 117.416-164.558 147.721 -23.429 + 117.165-178.795 147.377 -18.695 + 121.793 173.465 163.726-177.374 + 129.289 173.484 157.218 -43.209 + 91.509 70.608 124.785-135.582 + 112.924-158.645 136.332 30.107 + 123.239-102.674 152.044 175.207 + 93.055 93.101 126.081-135.396 + 93.340 9.346 105.988 -83.248 + 117.002-157.677 0.000 0.000 + 96.185 41.717 0.000 0.000 + 100.697 -82.924 96.629 -88.151 + 93.513 -18.130 113.491 -75.695 + 128.189-168.356 121.755 -80.479 + 126.299 175.206 0.000 0.000 + 128.582 -86.051 139.002 -47.828 + 118.644-109.074 114.740-119.174 + 118.371-138.607 117.625-120.465 + 113.005-107.954 98.699 -91.720 + 94.543 0.000 116.098 -77.254 + # 81 total E -4.79163E+01 rmsd from N 0.000 %NC 0.00 + 93.715 100.321 108.697 -80.327 + 114.803 173.396 148.301 -28.887 + 114.446 165.945 110.991 -73.297 + 93.258 54.224 134.741-109.112 + 91.451 66.946 115.824 -63.993 + 124.515 -82.522 143.252 127.033 + 113.771-171.452 149.605 -81.049 + 122.133-178.507 111.673-125.585 + 122.054 -71.347 151.649 -19.055 + 132.323 -67.794 0.000 0.000 + 121.147 -33.992 0.000 0.000 + 112.988-179.596 128.240-138.917 + 124.496 177.763 121.146 -80.504 + 126.160 -90.577 121.941 -80.083 + 125.736-175.153 0.000 0.000 + 128.267 -80.618 142.283 -47.241 + 119.642-160.520 117.970-124.007 + 110.880-112.938 100.010 -92.732 + 117.305-119.528 126.440-135.357 + 120.961 0.000 148.622-112.669 + # 82 total E -4.77877E+01 rmsd from N 0.000 %NC 0.00 + 93.813 16.366 145.482 -27.973 + 117.043-177.018 160.133 -16.344 + 135.822 179.821 166.367 159.164 + 123.713 170.865 124.417 -58.719 + 91.289 84.519 112.597 -67.410 + 109.672 3.619 140.863 132.127 + 103.748 -99.295 143.352 -37.599 + 120.940-169.762 116.249 126.150 + 125.606 175.484 148.041 -38.998 + 137.585 -79.315 0.000 0.000 + 95.505 37.885 0.000 0.000 + 91.797 50.749 131.653-155.756 + 92.059-179.701 113.009 -74.328 + 93.854 148.280 116.164 -76.690 + 115.046 169.661 0.000 0.000 + 134.634 -99.338 136.920 97.643 + 116.804-165.744 115.979-125.186 + 92.498 51.767 128.380-150.426 + 92.680 117.355 130.363-153.525 + 120.052 0.000 120.537 -81.768 + # 83 total E -4.77243E+01 rmsd from N 0.000 %NC 0.00 + 93.912 96.212 157.110-146.302 + 91.449 66.099 143.190-126.944 + 90.068 70.824 142.178 -91.403 + 90.224 52.880 140.642-100.078 + 90.709 41.102 111.870-100.716 + 92.981 61.104 104.487-127.797 + 92.205 -89.699 144.376-153.235 + 122.475-178.144 136.616 140.016 + 121.180 -71.210 111.907 -81.419 + 131.838 -67.562 0.000 0.000 + 120.855 -33.614 0.000 0.000 + 112.953-178.486 128.353-139.108 + 124.691 179.647 121.545 -79.649 + 122.594 -66.023 118.459 -79.301 + 127.267 -9.507 0.000 0.000 + 94.649 155.889 147.881 114.524 + 93.597 127.729 105.022-129.595 + 123.398-173.951 114.833-115.312 + 117.095 -13.995 128.397-137.660 + 119.046 0.000 120.447 -80.096 + # 84 total E -4.75638E+01 rmsd from N 0.000 %NC 0.00 + 93.702 7.497 104.792 -82.686 + 92.944 79.401 141.867-113.619 + 131.366-107.241 176.409 154.359 + 102.478 -50.186 172.303-170.817 + 91.316 87.698 126.492 -94.705 + 108.473 179.362 127.091 -26.693 + 115.741 -79.968 147.081 165.766 + 145.323 170.745 120.605 -77.077 + 91.721 -43.010 148.090 -23.803 + 94.099 162.862 0.000 0.000 + 143.787 -56.306 0.000 0.000 + 123.072 105.934 102.691-100.945 + 135.777-101.612 120.388 -84.995 + 93.707 13.609 115.377 -76.198 + 125.315 -35.377 0.000 0.000 + 125.532-107.343 104.827 -53.318 + 118.144-105.951 131.225-142.046 + 120.118-130.601 102.074 -98.391 + 120.406 121.852 120.610-124.802 + 93.445 0.000 110.939 -78.339 + # 85 total E -4.73362E+01 rmsd from N 0.000 %NC 0.00 + 93.583 105.663 143.005-130.083 + 116.968-169.554 168.580 -7.290 + 96.345 98.015 105.446 -91.230 + 118.201-115.556 122.788 -62.415 + 91.421 80.587 125.593 150.210 + 92.463 118.432 139.748 21.028 + 91.915 99.743 122.187-125.481 + 117.732-107.345 118.189-131.780 + 95.525 151.977 148.148 -21.798 + 122.796 177.132 0.000 0.000 + 93.936 44.437 0.000 0.000 + 90.588 47.899 99.649 -99.100 + 91.700-173.723 113.529 -77.666 + 115.715 170.121 131.443-177.810 + 133.339 -89.527 0.000 0.000 + 124.895-123.551 118.524 -40.609 + 116.007 12.161 122.745-132.711 + 123.783-146.430 109.061-107.245 + 121.274 2.449 123.991-129.810 + 93.386 0.000 115.224 -78.790 + # 86 total E -4.72466E+01 rmsd from N 0.000 %NC 0.00 + 93.986 129.631 142.363 -11.081 + 119.035-160.743 148.095 -10.578 + 123.659 -85.944 158.867 133.561 + 94.246 64.698 134.675-105.949 + 92.300-113.735 99.231 -79.947 + 92.794 107.114 116.396 -41.997 + 130.090 -84.887 165.002 -6.430 + 110.632 174.279 127.062-116.669 + 125.578-172.728 161.601-161.225 + 113.577 167.388 0.000 0.000 + 134.574 -43.937 0.000 0.000 + 118.082-158.310 112.944-115.236 + 123.549 165.698 120.579 -80.103 + 94.672 -71.583 112.676 -80.133 + 94.059 40.908 0.000 0.000 + 120.974 -77.962 140.929 -42.859 + 115.251-167.744 114.541-121.004 + 92.392 52.060 108.762-119.904 + 92.853 101.701 103.707-111.835 + 93.349 0.000 112.512 -76.648 + # 87 total E -4.72101E+01 rmsd from N 0.000 %NC 0.00 + 118.133-163.777 146.010 -16.721 + 106.809 172.309 145.426 -30.606 + 93.454 82.091 128.669-113.529 + 92.334 59.069 139.363-100.731 + 91.874 146.822 97.578 -72.559 + 109.326 126.596 135.676 126.770 + 126.472 -97.609 166.608 -4.989 + 127.467-169.949 134.567-120.787 + 94.267 43.338 108.001 -80.303 + 125.386 79.746 0.000 0.000 + 129.627 -49.419 0.000 0.000 + 115.383 -77.771 126.679-135.231 + 117.057 84.279 119.549 -79.203 + 116.718 178.975 143.564 -40.567 + 129.125 173.220 0.000 0.000 + 129.911 -88.029 135.637-158.537 + 121.440-165.420 114.383-117.719 + 124.706-138.966 106.720-101.862 + 116.948-137.775 123.516-130.810 + 125.720 0.000 124.608 -86.810 + # 88 total E -4.70265E+01 rmsd from N 0.000 %NC 0.00 + 119.451-121.461 111.255 -81.042 + 116.902 174.099 147.229 -17.520 + 115.270 108.158 132.577-124.274 + 130.729 -94.717 131.477 -81.750 + 91.841 131.465 104.148 -39.668 + 136.299-106.305 78.339-102.579 + 92.014 133.002 148.671 -46.805 + 130.544 -71.168 140.961-175.095 + 117.456 -50.888 108.594 -79.940 + 96.792 99.514 0.000 0.000 + 95.449 154.876 0.000 0.000 + 117.281 159.993 125.914-133.962 + 126.212 174.109 122.765 -81.985 + 94.427 58.359 115.802 -76.346 + 137.109 -31.527 0.000 0.000 + 118.302 -68.388 150.847-171.555 + 111.700-160.552 97.731 -92.466 + 102.162-169.891 102.909-106.985 + 118.376 -12.580 125.364-133.973 + 119.039 0.000 120.436 -80.332 + # 89 total E -4.70188E+01 rmsd from N 0.000 %NC 0.00 + 94.279 133.990 130.068 15.804 + 91.912 88.104 156.008-136.735 + 107.720-143.243 123.796 -42.580 + 92.925 61.467 131.414-113.361 + 90.875 158.626 157.440 -6.131 + 92.258 105.248 119.041 3.732 + 92.392 -87.832 133.405-110.460 + 92.960 117.835 120.410-165.659 + 114.499 -83.693 150.668 -17.729 + 124.753 -63.773 0.000 0.000 + 119.355-170.018 0.000 0.000 + 93.386 85.249 97.243-105.411 + 122.273 -96.108 143.146-144.758 + 127.499-175.854 122.236 -80.320 + 126.976 171.886 0.000 0.000 + 128.989-103.751 108.744 -52.583 + 116.802-108.314 124.252-134.687 + 113.541-139.522 99.986 -87.115 + 93.098 86.844 103.554-110.506 + 93.381 0.000 121.695-114.743 + # 90 total E -4.69375E+01 rmsd from N 0.000 %NC 0.00 + 93.627 47.305 143.498-129.971 + 93.097 166.184 164.899-147.527 + 125.811 -88.017 150.615 3.560 + 120.503-173.148 165.458-142.240 + 125.984-171.495 145.689 -90.976 + 114.032-167.999 130.009 -38.626 + 117.588 178.077 140.884-154.458 + 92.348 101.355 123.263 141.516 + 93.918 21.282 103.947 -81.728 + 124.265 -57.412 0.000 0.000 + 109.000 -34.911 0.000 0.000 + 104.066 174.814 129.408-145.977 + 125.708-171.141 129.683 -84.954 + 123.548-172.828 121.836 -79.429 + 122.153 51.603 0.000 0.000 + 125.039-100.631 119.791 -46.675 + 120.944 132.412 116.365-120.493 + 123.185-173.768 116.190-116.611 + 116.788 -13.841 128.559-137.780 + 119.129 0.000 120.443 -80.090 + # 91 total E -4.69014E+01 rmsd from N 0.000 %NC 0.00 + 93.685 89.095 110.004 -82.348 + 117.092 177.605 159.432-151.718 + 116.992 160.859 155.885 -3.146 + 93.900 81.645 139.425-112.169 + 91.933 -82.011 105.642 -36.322 + 125.307-169.066 155.835 168.432 + 117.649 176.122 152.651 -12.194 + 105.799 -58.154 105.386 67.483 + 92.844 37.976 142.391-136.082 + 123.503-166.871 0.000 0.000 + 138.077 -51.194 0.000 0.000 + 120.675 177.163 119.666-122.940 + 124.544 178.305 120.593 -80.739 + 125.247 -64.594 120.968 -79.751 + 126.963 -22.083 0.000 0.000 + 126.486 -78.995 141.874 177.047 + 120.383-162.889 114.653-118.756 + 122.515-139.242 110.830-108.275 + 117.594-118.702 125.666-132.798 + 120.971 0.000 148.093-112.086 + # 92 total E -4.68186E+01 rmsd from N 0.000 %NC 0.00 + 93.615 48.468 144.125-132.751 + 93.066 168.457 141.001 -39.511 + 113.190 172.870 116.010 -67.389 + 111.198 111.426 134.767-112.105 + 122.875-100.186 115.390 -88.812 + 114.767-173.335 134.405 -37.091 + 121.250 177.474 143.488-145.674 + 123.927 176.772 147.734 -89.492 + 95.561 168.266 154.486 -27.322 + 139.830 16.186 0.000 0.000 + 116.984 -15.867 0.000 0.000 + 91.067 75.510 102.329-101.702 + 91.818 -57.900 108.491 -77.194 + 131.931-162.790 127.974 -78.850 + 94.735 96.648 0.000 0.000 + 128.350 -80.376 102.233 -81.035 + 104.842 137.329 100.742-119.018 + 93.121 130.720 100.264-102.467 + 104.759-104.755 103.614-116.001 + 120.118 0.000 139.613-125.825 + # 93 total E -4.65705E+01 rmsd from N 0.000 %NC 0.00 + 93.751 8.977 148.133 -31.569 + 118.521-101.750 150.501-135.213 + 125.642-173.630 151.000 11.653 + 117.146-165.630 164.550-147.750 + 114.908-176.539 136.720 97.207 + 130.555-174.354 147.864 164.969 + 124.638 -92.512 154.486 -13.332 + 123.629-149.093 135.639-121.895 + 94.024 35.478 148.603 -23.171 + 95.820 54.234 0.000 0.000 + 122.355 -27.405 0.000 0.000 + 119.284-151.802 111.881-112.598 + 93.800 102.630 115.243 -77.209 + 112.417-100.308 117.647 -79.693 + 116.718 177.392 0.000 0.000 + 131.188 -98.194 146.127-166.474 + 104.907 142.571 99.100-115.049 + 123.834-141.565 109.411-107.394 + 118.844-113.520 125.309-131.730 + 120.317 0.000 143.745-115.617 + # 94 total E -4.65005E+01 rmsd from N 0.000 %NC 0.00 + 116.995 161.075 140.591 -11.388 + 92.438 110.103 152.529-142.063 + 126.755 -86.203 151.635 -0.491 + 91.794 62.315 143.284-100.370 + 90.789 33.614 121.056 -43.778 + 93.787 71.851 127.754 -42.211 + 92.347 -51.883 147.474-168.041 + 119.384 169.959 128.652-116.913 + 94.888 -53.358 137.979-122.835 + 140.362 -55.400 0.000 0.000 + 121.015 -18.789 0.000 0.000 + 102.127-174.816 99.648 -92.402 + 132.063-175.610 119.903 -86.828 + 94.309 72.665 115.783 -76.248 + 130.613 -56.252 0.000 0.000 + 92.600 81.639 122.819-148.764 + 119.963-167.446 108.645-112.204 + 128.590-138.798 108.130-102.431 + 111.837 126.660 133.839-150.275 + 93.422 0.000 110.263 -77.181 + # 95 total E -4.63733E+01 rmsd from N 0.000 %NC 0.00 + 116.468-143.082 151.866-150.403 + 120.153-176.706 167.670 -13.095 + 111.987-158.208 130.238 -45.974 + 122.358-111.072 162.164-175.668 + 92.961 125.139 121.634-111.363 + 124.592-100.459 147.309-143.218 + 93.505 24.734 159.443-147.943 + 94.160 61.302 134.286-133.943 + 93.863 -15.538 150.728-125.504 + 117.194-145.077 0.000 0.000 + 93.267 78.008 0.000 0.000 + 91.360 64.744 91.130 -96.497 + 92.411 178.340 108.643 -75.332 + 94.131 64.445 115.850 -77.190 + 129.692 -77.342 0.000 0.000 + 115.390-177.765 136.596 -94.680 + 122.220-134.943 119.158-124.318 + 103.356 132.925 120.387-129.872 + 120.555 158.182 118.524-122.322 + 120.319 0.000 120.811 -80.325 + # 96 total E -4.61206E+01 rmsd from N 0.000 %NC 0.00 + 116.285-153.282 152.418-149.856 + 123.485 -98.099 153.369 -16.685 + 115.623-170.787 145.542 -41.808 + 93.469 61.995 159.543-161.608 + 91.228-160.696 111.595 -26.196 + 120.705 175.248 150.139 152.942 + 117.058-179.781 159.299 -20.310 + 124.917 174.202 136.927 153.829 + 124.062 -69.822 110.739 -78.570 + 125.061 68.077 0.000 0.000 + 138.321 -50.443 0.000 0.000 + 118.342-147.351 124.844-130.699 + 121.701-174.152 135.581 -31.149 + 94.539 81.383 115.843 -76.342 + 135.271 -78.943 0.000 0.000 + 110.336 173.552 128.761 -84.862 + 93.764 127.720 103.959-142.433 + 102.129-110.715 100.615-101.173 + 118.822-111.241 117.249-121.143 + 120.096 0.000 137.353-132.659 + # 97 total E -4.59482E+01 rmsd from N 0.000 %NC 0.00 + 113.275 -40.414 151.437-148.250 + 92.957 109.026 154.653-152.352 + 125.082 -95.744 153.280 0.978 + 129.394-174.767 154.280 -42.563 + 91.976 -67.005 103.493-106.832 + 110.482-176.715 133.687 -32.581 + 118.099-178.481 146.770-160.150 + 126.059 171.830 110.641-113.228 + 124.813 176.515 151.902 -17.296 + 133.566 -87.629 0.000 0.000 + 137.491 -72.439 0.000 0.000 + 92.744 55.718 131.626-155.210 + 92.950 59.327 113.511 -76.334 + 116.910 168.105 115.649 -81.695 + 113.050 57.896 0.000 0.000 + 123.048 -89.382 98.693 -59.042 + 117.198-112.993 124.675-134.911 + 113.516-113.893 99.229 -86.397 + 111.290 15.439 127.053-139.527 + 93.352 0.000 114.339 -77.372 + # 98 total E -4.57249E+01 rmsd from N 0.000 %NC 0.00 + 93.609 47.250 143.474-131.457 + 93.381 -82.792 144.544 -35.391 + 125.593-172.317 108.126 -88.800 + 117.806 -91.165 135.079 -88.182 + 115.029 174.221 135.427 -23.083 + 114.963 169.025 102.371-141.802 + 92.522 83.073 141.713 -96.692 + 111.425 167.151 115.581-126.317 + 117.113 -62.215 111.665 -73.836 + 119.163 -22.973 0.000 0.000 + 99.585 -48.746 0.000 0.000 + 92.002 76.767 129.365-152.219 + 141.997 -89.175 120.550 -81.431 + 106.526 -49.874 116.118 -77.009 + 95.846 76.895 0.000 0.000 + 127.046 -90.730 120.586-131.322 + 120.288-109.800 113.896-116.892 + 116.951-137.998 129.523-137.586 + 113.342-117.694 97.976 -86.396 + 121.527 0.000 121.352 -80.359 + # 99 total E -4.55946E+01 rmsd from N 0.000 %NC 0.00 + 116.700-141.024 152.480-148.833 + 122.033-178.874 157.920-153.689 + 123.344 173.678 153.347 -2.329 + 117.271 175.154 160.785-121.090 + 121.325 172.789 159.255-106.698 + 110.897 167.397 130.557 -33.015 + 106.717 57.738 134.560-140.596 + 108.658-108.819 124.745 146.830 + 118.109 164.604 114.970 -73.863 + 138.933 -82.123 0.000 0.000 + 109.719 -22.217 0.000 0.000 + 104.984-179.040 126.024-139.807 + 125.498 -74.620 122.153 -83.761 + 93.648 25.517 113.812 -76.275 + 120.297 -66.989 0.000 0.000 + 110.723-170.335 122.457 -35.937 + 112.748-144.795 102.437 -88.352 + 110.147 132.524 118.529-127.326 + 93.325 84.445 104.139-111.633 + 93.394 0.000 113.846 -78.852 + # 100 total E -4.47249E+01 rmsd from N 0.000 %NC 0.00 + 118.994 -93.074 112.006 -79.631 + 114.876 166.233 143.350 -40.421 + 126.077 102.257 162.265-172.815 + 119.077 -83.124 167.247-157.615 + 91.037 79.028 111.764 -25.654 + 91.734 96.116 85.169 -83.636 + 92.085 150.466 126.177 -94.832 + 92.351 92.905 138.424-125.871 + 91.311 -64.962 140.943-118.333 + 105.963 -56.630 0.000 0.000 + 98.665 -32.859 0.000 0.000 + 92.427 90.541 133.733-158.627 + 128.812-106.851 115.792 -80.897 + 117.309 110.213 145.900 -66.216 + 132.396 -91.096 0.000 0.000 + 117.386 178.901 122.845 -73.606 + 93.789 117.850 103.590-135.502 + 92.448 51.745 109.212-119.599 + 112.925-119.486 118.778-127.270 + 120.754 0.000 146.821-116.819 + # 101 total E -4.46613E+01 rmsd from N 0.000 %NC 0.00 + 118.349-148.446 148.369 -19.689 + 116.984 177.961 157.263 -18.595 + 94.012 73.527 144.117-106.608 + 93.077 62.918 136.773 -83.690 + 91.849 58.042 131.267 -84.994 + 111.790 -85.855 110.106-140.067 + 118.809-163.109 157.403 -12.502 + 123.193 -72.787 122.999 143.732 + 125.784 60.731 113.186 -80.250 + 122.041 -45.694 0.000 0.000 + 93.632 -41.975 0.000 0.000 + 93.118 156.217 132.253-155.964 + 120.900 164.476 147.307-110.742 + 132.526 -98.181 159.297 -98.996 + 95.929 166.376 0.000 0.000 + 128.144-113.434 120.159 -48.904 + 118.991 131.335 122.318-132.773 + 106.115-111.917 101.433 -96.771 + 117.449-119.448 126.071-134.647 + 120.841 0.000 148.224-112.967 + # 102 total E -4.45928E+01 rmsd from N 0.000 %NC 0.00 + 93.635 123.020 144.142-135.028 + 120.952-106.918 144.164 -90.512 + 91.372 73.349 126.509 -44.790 + 90.436 60.501 134.574-101.015 + 90.342 38.006 94.532 -87.179 + 105.660 -72.482 148.044 36.681 + 126.114-159.487 163.520-175.642 + 131.119 -98.667 131.998 -74.781 + 123.981 179.388 111.209 -88.817 + 138.839 -60.367 0.000 0.000 + 94.980 14.737 0.000 0.000 + 102.705 -79.433 130.390-148.373 + 114.000 64.921 145.539 -92.602 + 124.836 144.366 121.273 -79.946 + 124.210 25.281 0.000 0.000 + 116.499-160.011 106.568 -44.910 + 125.512-168.942 115.022-115.079 + 98.430-170.982 105.408-104.756 + 116.237 142.172 130.723-145.119 + 119.772 0.000 120.009 -80.586 + # 103 total E -4.45841E+01 rmsd from N 0.000 %NC 0.00 + 117.280-163.278 147.984 -23.507 + 117.708-178.204 148.167 -18.195 + 124.876 175.528 163.853 174.471 + 135.073 177.064 155.471 -18.856 + 91.224 77.837 126.893-147.042 + 106.193 172.787 130.750 -11.748 + 118.683 179.036 146.446-157.497 + 124.046-177.283 135.265 129.564 + 122.105-178.057 111.325 -81.325 + 126.421 172.199 0.000 0.000 + 134.438 -57.252 0.000 0.000 + 117.944 176.158 125.297-131.506 + 125.532-179.374 120.977 -80.709 + 125.674-177.687 122.060 -77.752 + 121.412 169.337 0.000 0.000 + 129.533-103.174 116.451-127.165 + 100.305 134.072 101.140-118.609 + 121.370-173.340 118.282-122.270 + 93.946 25.715 130.474-153.770 + 117.907 0.000 146.673 -98.035 + # 104 total E -4.44967E+01 rmsd from N 0.000 %NC 0.00 + 116.275-147.231 151.669-144.332 + 118.446 173.712 150.193 -24.365 + 110.831 158.351 121.022-119.479 + 95.549 86.222 161.915-147.762 + 91.617 -79.513 120.917 -18.089 + 94.129 144.696 132.187 -45.257 + 118.192 -94.641 141.975-137.692 + 126.230-173.639 135.653-139.857 + 123.084-174.230 148.843 -19.277 + 95.130 97.382 0.000 0.000 + 98.072 47.970 0.000 0.000 + 96.534 -77.162 126.207-144.863 + 92.998 -25.492 114.583 -76.317 + 96.136 79.413 115.481 -76.729 + 136.237-158.575 0.000 0.000 + 132.466 -85.522 124.847 -46.400 + 117.494-160.143 123.318-133.075 + 92.083 50.766 107.896-103.832 + 92.451 117.771 130.026-152.702 + 120.699 0.000 119.183 -83.920 + # 105 total E -4.44806E+01 rmsd from N 0.000 %NC 0.00 + 93.632 17.502 144.059-132.716 + 117.661-178.125 151.940 -16.500 + 113.751 171.568 170.101 175.485 + 92.809 86.038 136.923-109.001 + 91.048 -47.882 95.531 -73.578 + 114.094 173.746 137.486 -45.156 + 91.559 71.020 129.033-112.383 + 92.807 178.985 99.061-117.280 + 117.827 177.388 113.393 -85.331 + 137.803 -59.584 0.000 0.000 + 92.048 53.462 0.000 0.000 + 90.819 48.493 80.846 -82.165 + 92.819 178.335 112.527 -74.490 + 109.980 -83.112 118.029 -78.358 + 123.392-178.878 0.000 0.000 + 125.297 -97.442 133.057 154.342 + 113.921 38.437 122.600-134.205 + 92.938 115.721 104.450-113.893 + 93.000 122.421 105.248-119.432 + 121.075 0.000 120.287 -84.015 + # 106 total E -4.44270E+01 rmsd from N 0.000 %NC 0.00 + 119.558-135.395 107.105 -75.916 + 117.570 173.321 156.552-149.564 + 129.592 -77.634 150.856 -2.389 + 113.495 -32.846 171.042-161.843 + 105.098-173.648 136.991-137.977 + 124.329-175.664 140.571-127.025 + 112.590 176.335 155.327 -91.190 + 93.749 98.471 123.666-147.775 + 112.968 -87.431 150.564 -19.866 + 122.728 -0.246 0.000 0.000 + 113.620 -42.472 0.000 0.000 + 101.109 160.024 96.839 -91.297 + 94.659 154.469 113.134 -76.808 + 116.505 -80.631 115.238 -82.379 + 95.019 61.150 0.000 0.000 + 126.925 -86.425 101.738 -84.165 + 113.959 136.959 118.406-128.329 + 128.327-172.671 110.344-106.310 + 104.736 158.288 100.584 -97.206 + 120.613 0.000 118.318 -82.338 + # 107 total E -4.44239E+01 rmsd from N 0.000 %NC 0.00 + 93.596 0.165 143.682-131.029 + 111.034 113.390 146.527 -33.139 + 135.288 -89.671 114.487 -78.471 + 109.810 -57.278 159.145 156.603 + 91.234 -8.558 107.569 -40.687 + 117.165 100.020 176.485 160.444 + 131.179-102.516 128.881 -86.180 + 127.893-168.614 121.007-119.615 + 118.389 -69.665 154.808-145.494 + 138.604 -68.769 0.000 0.000 + 95.770 2.186 0.000 0.000 + 110.096-149.721 129.299-142.198 + 125.610-166.332 154.010-104.648 + 122.129 0.024 148.499 -70.435 + 129.163 -73.916 0.000 0.000 + 126.041-112.739 147.393 159.643 + 117.997-107.356 124.131-135.657 + 114.021-140.221 98.891 -89.160 + 113.827 132.821 128.750-140.669 + 119.897 0.000 118.851 -81.796 + # 108 total E -4.43683E+01 rmsd from N 0.000 %NC 0.00 + 119.143-118.576 112.166 -82.843 + 117.333 114.560 157.758-136.564 + 124.120 -77.378 128.638-123.957 + 105.979 -46.152 169.945-144.390 + 124.776-175.380 145.848-132.214 + 119.444 171.353 103.117-132.632 + 91.202 72.033 144.331 -40.712 + 91.113 64.863 105.004-130.759 + 92.826 162.082 103.093 -90.453 + 131.292 -62.441 0.000 0.000 + 104.839 -15.621 0.000 0.000 + 98.581 -47.009 89.241 -76.530 + 93.432 -12.866 108.939 -73.424 + 111.724 -48.380 113.478 -79.819 + 110.974 -6.771 0.000 0.000 + 115.616 -59.929 136.375 153.796 + 118.334-145.970 109.444-111.852 + 119.331-167.674 122.079-127.801 + 107.628 -4.958 99.054 -88.274 + 93.485 0.000 134.864-104.511 + # 109 total E -4.43265E+01 rmsd from N 0.000 %NC 0.00 + 118.793-142.428 111.310 -82.280 + 120.418 178.929 148.444 -18.210 + 127.634-107.164 137.396-127.850 + 93.992 86.981 139.795 -99.983 + 91.708 -84.748 97.360 -83.627 + 105.437-171.920 139.746 -50.161 + 121.104 -59.500 163.141 -10.197 + 91.628 81.998 130.380-116.956 + 92.539 20.957 98.334 -81.423 + 96.200 179.876 0.000 0.000 + 119.703 -30.392 0.000 0.000 + 108.259 178.751 128.512-141.757 + 125.750 177.497 121.143 -84.605 + 126.147 -94.196 121.134 -79.722 + 124.073-178.376 0.000 0.000 + 129.375 -97.957 138.849 165.911 + 122.793 134.484 117.641-122.188 + 123.820-172.109 117.013-117.667 + 110.624-107.546 98.597 -91.485 + 94.560 0.000 116.245 -77.166 + # 110 total E -4.42798E+01 rmsd from N 0.000 %NC 0.00 + 93.605 45.198 143.472-131.351 + 92.951 109.398 144.303 -34.944 + 130.975-100.136 162.786 168.939 + 122.231-171.868 143.877 -93.496 + 118.894-178.431 147.494-128.241 + 135.855-174.059 116.196-131.750 + 106.703 102.958 144.148 -84.711 + 123.683 -96.706 123.811-134.019 + 122.197 176.869 151.277 -16.603 + 137.985 -74.693 0.000 0.000 + 126.550 -30.428 0.000 0.000 + 93.328 89.047 131.712-155.057 + 124.982 -73.722 121.055 -80.436 + 121.482 -59.377 119.487 -79.308 + 96.114 20.512 0.000 0.000 + 138.387-179.759 134.915-118.338 + 124.102 130.428 117.225-121.570 + 99.879-171.992 131.450-152.557 + 104.966 -13.290 100.653 -78.629 + 118.664 0.000 119.664 -79.643 + # 111 total E -4.38980E+01 rmsd from N 0.000 %NC 0.00 + 93.724 34.236 107.568 -80.232 + 92.783 157.044 138.409 -37.745 + 93.193 88.330 99.212 -87.697 + 126.361 -87.837 164.044-164.322 + 123.733-160.563 150.885 -42.146 + 115.633 172.220 176.488 26.354 + 94.080 118.968 148.414-148.743 + 116.547 -83.050 142.172-140.927 + 122.902 -64.820 150.488 -19.651 + 96.134 67.035 0.000 0.000 + 94.631 71.412 0.000 0.000 + 128.498 72.041 95.921 -87.859 + 120.281 170.496 155.370-112.459 + 94.096 62.715 112.234 -76.323 + 145.274 -62.894 0.000 0.000 + 93.644 71.144 87.122-118.876 + 122.803-170.030 117.833-123.110 + 129.154-169.000 109.010-101.981 + 93.409 83.875 103.239-115.461 + 117.915 0.000 141.101-145.858 + # 112 total E -4.38276E+01 rmsd from N 0.000 %NC 0.00 + 116.963-170.513 146.859 -25.774 + 115.011 173.711 148.134 -19.694 + 114.406 118.173 152.384-126.889 + 120.046-106.652 132.882 -85.965 + 129.462-174.082 153.919-136.350 + 111.761 178.713 139.603 -20.970 + 121.992-178.327 144.496-161.001 + 122.071-176.830 143.309-105.260 + 121.667 175.906 160.893-151.832 + 131.771 -68.057 0.000 0.000 + 131.968 -39.476 0.000 0.000 + 105.460 -32.548 124.782-137.402 + 91.107 99.910 134.472-157.481 + 91.704 -5.602 108.352 -78.087 + 103.417 -80.712 0.000 0.000 + 123.857-118.402 121.600 -44.484 + 117.607-169.870 127.007-140.319 + 92.726 51.385 130.921-151.717 + 93.321 35.636 130.150-153.112 + 93.346 0.000 116.291 -77.017 + # 113 total E -4.38165E+01 rmsd from N 0.000 %NC 0.00 + 114.538 174.492 147.952 -36.788 + 119.286 167.334 148.361 -18.945 + 110.477 -64.445 121.370-122.125 + 93.408 3.721 142.563 -91.342 + 127.417-106.193 131.496 -55.138 + 91.873 94.782 146.885 116.630 + 91.043 65.772 147.345 -36.026 + 91.111 47.093 132.707-137.885 + 92.507 118.543 139.167-106.061 + 129.090 20.670 0.000 0.000 + 105.092 -34.122 0.000 0.000 + 94.048 -44.442 126.248-146.435 + 92.306 95.747 115.375 -76.182 + 127.797-110.309 116.566 -82.946 + 97.187 152.925 0.000 0.000 + 92.064 74.059 137.858-119.961 + 126.123-167.897 115.574-120.023 + 105.956-168.496 101.289 -93.458 + 93.440 70.657 104.285-109.160 + 93.405 0.000 129.065-126.974 + # 114 total E -4.34932E+01 rmsd from N 0.000 %NC 0.00 + 116.457-151.175 152.635-149.080 + 123.980 -95.741 157.512-143.452 + 126.706-172.333 116.960 -85.540 + 115.794-178.134 136.574 -84.441 + 92.361 -61.677 126.511-127.896 + 115.487-164.107 103.321 -75.841 + 123.460 -76.352 135.099-122.872 + 104.958 -39.076 124.748-138.616 + 94.204 86.786 109.302 -84.259 + 131.355 16.237 0.000 0.000 + 93.290 44.440 0.000 0.000 + 91.912 59.444 101.084-104.381 + 92.628 -70.739 111.042 -75.788 + 116.979 -56.000 118.199 -78.901 + 108.810 -17.158 0.000 0.000 + 117.558-108.738 107.078 -47.351 + 116.908-107.485 134.635-151.231 + 119.429-139.521 110.035-108.286 + 93.240 75.765 102.610-106.775 + 93.303 0.000 112.141 -77.916 + # 115 total E -4.32963E+01 rmsd from N 0.000 %NC 0.00 + 115.641-163.062 151.608-148.168 + 123.233-106.680 142.790 -99.872 + 95.391 118.535 176.472 172.732 + 122.379-178.976 143.687 -81.806 + 125.903-168.643 141.865 -98.665 + 115.978-177.043 134.149 -37.590 + 123.990-176.018 144.864-147.891 + 93.520 151.667 134.842-118.745 + 114.817 -68.337 151.341-143.481 + 114.416 3.517 0.000 0.000 + 116.406 -35.892 0.000 0.000 + 113.483 171.032 128.490-139.021 + 122.260-177.649 118.795 -77.149 + 119.658 174.224 147.272 -68.701 + 130.622 175.651 0.000 0.000 + 125.025-122.400 117.447 -40.648 + 116.564-171.005 120.289-131.529 + 93.040 50.155 110.880-107.940 + 108.887 -18.005 131.821-147.735 + 93.468 0.000 115.167 -76.066 + # 116 total E -4.32873E+01 rmsd from N 0.000 %NC 0.00 + 93.793 126.143 148.903 -25.795 + 119.805-123.962 157.985 -24.317 + 94.007 60.144 175.252-178.448 + 92.251 64.712 129.715 -90.575 + 90.823 23.592 117.758 -91.917 + 101.352 -94.699 88.778-111.100 + 120.127 -78.879 149.403-147.181 + 92.999 87.076 119.969-147.633 + 93.268 -83.002 104.371 -82.835 + 118.877-167.284 0.000 0.000 + 95.119 85.169 0.000 0.000 + 103.594 -41.902 131.775-152.470 + 93.908 74.069 115.109 -76.478 + 94.588-178.492 120.486 -79.009 + 113.574 157.579 0.000 0.000 + 93.420 82.412 104.700 35.650 + 132.487-165.517 116.505-111.940 + 105.739 139.338 118.406-128.872 + 121.570 157.503 119.076-123.443 + 120.384 0.000 119.823 -80.793 + # 117 total E -4.31390E+01 rmsd from N 0.000 %NC 0.00 + 93.850 92.378 154.077-131.087 + 92.166 77.495 146.347-113.026 + 93.017 110.972 164.363 7.138 + 114.822 -95.229 153.521-137.812 + 116.419 174.424 152.325-109.917 + 121.328 179.205 106.658-143.912 + 111.465 177.469 140.644 -33.568 + 106.571 169.499 122.597 144.768 + 122.593 172.716 96.196 -85.413 + 96.512 63.349 0.000 0.000 + 94.886 25.932 0.000 0.000 + 97.921-166.223 99.771 -64.043 + 91.752 82.223 136.689-166.200 + 93.852 124.049 110.186 -76.588 + 131.107 -74.499 0.000 0.000 + 93.045 70.271 118.835 -55.850 + 104.923-107.460 91.773-117.359 + 117.646-144.249 113.640-115.750 + 113.427 -3.535 133.835-148.378 + 118.304 0.000 146.051-103.176 + # 118 total E -4.28641E+01 rmsd from N 0.000 %NC 0.00 + 93.714 17.893 108.691 -80.003 + 114.480 174.962 148.700 -27.542 + 112.760 164.002 146.501-105.668 + 92.649 59.383 139.692-106.565 + 91.065 166.211 123.897 -49.923 + 109.156 176.500 126.128 26.642 + 116.070 -82.402 150.382-169.676 + 128.191-171.588 139.854-128.809 + 121.554-177.539 109.686 -79.112 + 126.369 172.307 0.000 0.000 + 134.356 -57.002 0.000 0.000 + 117.388 176.934 126.287-133.242 + 124.220-179.374 147.062-101.365 + 124.802-176.831 123.039 -78.007 + 95.294 83.583 0.000 0.000 + 123.084 -80.653 106.646-122.458 + 117.980-166.925 118.579-126.605 + 92.978 52.079 128.349-149.825 + 93.381 26.039 130.274-153.359 + 93.368 0.000 117.313 -76.908 + # 119 total E -4.28261E+01 rmsd from N 0.000 %NC 0.00 + 112.807 -38.183 150.767-148.185 + 94.521 172.578 134.738 -27.122 + 104.535 172.530 137.366-116.786 + 126.108 177.513 127.724 -61.475 + 91.352 70.917 118.442-130.532 + 119.840 -91.267 105.553-138.035 + 118.887-174.911 158.619 -19.783 + 124.605-176.075 135.479 148.495 + 121.717-177.952 150.236 -20.232 + 125.904 172.273 0.000 0.000 + 130.855 -48.751 0.000 0.000 + 93.387 79.879 131.566-154.882 + 122.561 -93.072 118.773 -79.890 + 125.854-173.191 147.393 -43.344 + 95.801 144.880 0.000 0.000 + 128.877 -82.041 137.590 -46.556 + 114.387-142.187 98.932 -88.047 + 113.755 138.663 117.790-124.295 + 120.851 157.762 120.233-125.088 + 120.366 0.000 119.947 -80.834 + # 120 total E -4.27276E+01 rmsd from N 0.000 %NC 0.00 + 93.556 56.012 138.548-103.618 + 121.889 -94.067 153.596-169.953 + 131.456-179.445 110.729 -77.253 + 91.390 74.092 124.049-105.897 + 90.672 17.806 92.309 -94.437 + 103.123 -89.335 156.314 30.627 + 129.024-169.050 156.241-164.762 + 122.838-171.798 121.818 -99.069 + 114.920 18.582 150.776 -19.775 + 117.743-162.551 0.000 0.000 + 136.861 -44.661 0.000 0.000 + 93.471 79.524 128.806-151.959 + 122.082 -94.483 118.834 -79.361 + 123.688 -63.687 116.846 -77.548 + 120.920 -17.073 0.000 0.000 + 110.114 -64.361 141.417 -41.002 + 95.888 136.975 101.012-107.303 + 105.931-111.996 92.419-102.146 + 117.197-123.423 125.910-134.491 + 122.441 0.000 122.686 -81.526 + # 121 total E -4.24863E+01 rmsd from N 0.000 %NC 0.00 + 116.303-172.531 150.436 -23.176 + 120.068 114.950 159.389-137.045 + 130.924-102.429 101.391 -92.063 + 123.812-174.027 167.083-120.687 + 113.952-179.142 127.907 -5.098 + 124.501-178.719 153.223-173.450 + 119.646-177.530 158.700 -16.499 + 123.826-177.027 118.482-120.160 + 122.081-177.932 113.214 -77.780 + 126.351 171.850 0.000 0.000 + 134.133 -59.079 0.000 0.000 + 115.311 106.667 128.560-138.026 + 127.478-100.165 120.846 -80.509 + 127.294-175.456 122.039 -80.219 + 127.346 174.726 0.000 0.000 + 128.492 -84.203 140.633 -46.049 + 119.588-161.745 119.062-125.686 + 93.800 119.352 106.928-104.449 + 120.189 155.919 119.274-123.738 + 93.790 0.000 114.985 -77.559 + # 122 total E -4.23029E+01 rmsd from N 0.000 %NC 0.00 + 93.640 106.286 144.488-135.009 + 109.290 161.951 122.304 -66.353 + 94.401 89.887 105.847 -87.158 + 123.539 -78.069 161.312-176.253 + 92.012 108.868 113.974 -7.997 + 138.813 33.426 126.605-109.687 + 129.028 -78.211 164.440 -5.429 + 127.429 179.416 145.499 143.105 + 93.994 25.520 139.049-110.770 + 134.716-140.168 0.000 0.000 + 93.058 43.901 0.000 0.000 + 92.019 102.171 131.431-155.315 + 125.441 -88.283 118.564 -77.695 + 125.579 -60.843 117.018 -79.516 + 128.790 -3.092 0.000 0.000 + 94.190 157.494 151.948 52.274 + 132.048 142.188 122.579-122.913 + 134.225-171.176 106.153 -94.003 + 122.966 -13.675 116.932-119.016 + 119.144 0.000 120.300 -80.378 + # 123 total E -4.22409E+01 rmsd from N 0.000 %NC 0.00 + 114.971 -40.724 107.557 -81.518 + 93.216 161.465 135.049 -79.614 + 127.915 105.696 162.519 163.744 + 91.310 -50.695 166.720 167.470 + 90.551 -30.866 118.134 -78.111 + 111.561-166.478 138.305 -23.888 + 124.817-179.364 174.811 -7.904 + 119.541 178.940 123.033-128.765 + 120.732 -66.249 159.718-158.666 + 126.294-166.631 0.000 0.000 + 106.437 -19.149 0.000 0.000 + 95.705 -54.179 126.187-143.727 + 92.895 -1.642 114.647 -76.248 + 120.196 -56.941 120.025 -79.567 + 130.113 74.445 0.000 0.000 + 126.309 -85.746 113.658 -57.475 + 118.009-109.414 116.140-120.517 + 118.680-138.705 113.575-114.745 + 116.898-118.662 129.408-138.566 + 121.778 0.000 121.664 -80.806 + # 124 total E -4.22304E+01 rmsd from N 0.000 %NC 0.00 + 115.647-110.318 145.332 -99.546 + 122.609 -93.706 149.967-139.626 + 126.824 178.197 148.891 27.191 + 127.727 -18.586 163.035 166.087 + 90.697 -53.766 97.320 -57.976 + 92.242 112.281 150.054 -87.101 + 118.821-128.488 121.277 -79.653 + 93.168 96.766 116.361-159.084 + 132.090 13.088 168.850-169.530 + 139.014-159.653 0.000 0.000 + 94.730 44.623 0.000 0.000 + 113.267 172.047 128.683-139.305 + 123.395 179.883 119.989 -77.314 + 124.714-178.903 149.299 -66.439 + 127.423 175.264 0.000 0.000 + 128.484 -78.746 142.492 -47.454 + 118.942-143.522 117.901-123.841 + 101.717 141.284 104.857-100.673 + 120.685-113.114 119.625-125.304 + 94.770 0.000 135.743-126.329 + # 125 total E -4.19310E+01 rmsd from N 0.000 %NC 0.00 + 116.949-137.548 153.290-150.211 + 122.503-171.517 148.517 -10.845 + 107.705-173.977 139.295-116.378 + 133.392 177.863 150.932 -50.651 + 91.670 -74.185 115.615 -61.072 + 92.860 95.947 151.043 104.349 + 92.917 22.907 141.453 -91.984 + 124.807-108.993 119.640-113.277 + 120.078-177.901 108.808 -76.693 + 141.079-170.385 0.000 0.000 + 92.441 47.618 0.000 0.000 + 91.499 41.734 90.091 -87.028 + 95.533 -96.209 127.716-106.099 + 117.652-178.196 141.874 -36.845 + 136.062 179.645 0.000 0.000 + 92.725 84.735 115.139-168.535 + 108.189-162.562 93.732 -98.044 + 118.999 136.983 116.991-120.413 + 106.460 157.996 98.203 -99.161 + 120.554 0.000 120.473 -80.762 + # 126 total E -4.19147E+01 rmsd from N 0.000 %NC 0.00 + 117.107-135.878 153.102-148.607 + 121.404 -63.047 160.994 -13.189 + 113.448 76.014 98.972 -92.725 + 100.210 156.221 146.201 -84.162 + 91.837 74.135 133.768-134.847 + 102.757 154.408 176.436 150.136 + 91.728 66.757 157.152-140.529 + 92.799 79.950 128.309-131.254 + 108.038 -88.968 120.756 -89.495 + 128.928 10.009 0.000 0.000 + 95.102 165.367 0.000 0.000 + 95.272 136.101 125.363-145.891 + 110.496 173.614 117.901 -78.936 + 126.606-177.018 124.098 -80.884 + 118.578 59.847 0.000 0.000 + 120.046 -99.873 106.878 -53.260 + 118.196-107.833 116.310-121.073 + 119.116-139.729 110.481-110.787 + 115.247 123.178 129.851-140.814 + 93.523 0.000 114.647 -77.518 + # 127 total E -4.17925E+01 rmsd from N 0.000 %NC 0.00 + 119.440-103.377 146.685 -13.829 + 122.272 -87.208 131.303 -92.341 + 93.251 113.663 176.464 176.446 + 124.817 -78.632 106.240 -68.073 + 90.074 75.389 130.052-128.512 + 91.898 63.319 176.456-170.612 + 91.361 154.052 147.052-114.127 + 91.569 92.440 128.331-153.143 + 94.120 -50.312 149.047 -25.086 + 96.746 87.567 0.000 0.000 + 93.374 35.971 0.000 0.000 + 94.308 172.111 132.187-155.713 + 123.173 179.430 121.897 -80.295 + 125.075-179.267 123.943 -79.475 + 131.248 -67.498 0.000 0.000 + 92.330 77.844 124.099-146.685 + 115.995-106.096 111.505-118.686 + 118.278-142.297 112.339-113.325 + 114.629 -2.520 131.839-144.301 + 118.842 0.000 120.353 -80.097 + # 128 total E -4.17182E+01 rmsd from N 0.000 %NC 0.00 + 93.688 25.183 111.594 -82.856 + 117.078-103.917 150.265-131.762 + 125.507 177.465 151.011 2.273 + 111.359 179.094 159.884-160.706 + 128.870-178.675 162.821 -25.836 + 92.262 89.198 172.250 175.798 + 91.264 46.020 137.548 -52.611 + 91.991 67.771 137.158-135.972 + 92.873 165.891 143.064-126.449 + 121.996 169.397 0.000 0.000 + 134.422 -57.392 0.000 0.000 + 122.566 175.738 118.469-118.602 + 93.589 91.508 114.373 -77.118 + 115.035-105.195 117.657 -79.514 + 118.038 176.514 0.000 0.000 + 129.143-107.420 115.888 -95.185 + 115.319 132.170 118.479-128.157 + 123.798-172.006 115.676-115.621 + 117.233-118.965 127.765-136.358 + 121.763 0.000 121.630 -80.873 + # 129 total E -4.16921E+01 rmsd from N 0.000 %NC 0.00 + 110.345 158.022 141.797-126.247 + 92.079 76.571 142.519 128.669 + 91.688 28.972 121.230-115.479 + 99.941 -90.495 165.405 160.733 + 115.806 174.580 139.857 24.762 + 123.487 167.839 161.880 101.305 + 110.144 -77.136 158.315-177.833 + 93.199 72.365 132.924-133.306 + 94.059 120.816 142.632-123.636 + 142.380 -90.744 0.000 0.000 + 121.007 -33.444 0.000 0.000 + 112.532 112.295 131.708-144.140 + 126.671-101.058 120.711 -81.094 + 128.206 179.041 122.291 -80.178 + 122.733 69.235 0.000 0.000 + 126.526 -85.194 116.481 -56.128 + 117.876-108.534 118.387-124.638 + 118.959-141.708 110.978-110.699 + 115.879 -2.608 129.405-139.938 + 118.462 0.000 146.257-106.173 + # 130 total E -4.15865E+01 rmsd from N 0.000 %NC 0.00 + 119.261 -95.790 110.745 -78.362 + 118.716 179.104 148.417 -19.230 + 115.189 164.626 165.662 177.118 + 121.931 170.626 162.029 -64.845 + 90.929 70.398 117.528 -48.544 + 93.148 25.670 135.322 123.910 + 92.939-108.574 146.072 -36.389 + 94.350 153.442 128.675-130.754 + 118.903 179.679 163.447-150.649 + 122.484 169.775 0.000 0.000 + 133.408 -48.666 0.000 0.000 + 124.152 174.685 112.966-111.331 + 93.465 90.210 129.704-135.324 + 94.233 153.037 114.280 -76.832 + 118.255 64.685 0.000 0.000 + 125.544 -74.714 140.970-173.177 + 119.747-142.504 111.866-113.659 + 106.584 139.837 119.304-128.529 + 120.010-112.118 121.219-127.539 + 94.610 0.000 116.330 -77.576 + # 131 total E -4.12410E+01 rmsd from N 0.000 %NC 0.00 + 116.987 172.019 104.956 -70.555 + 92.017 76.402 156.421-141.779 + 91.157 30.908 119.748 -35.782 + 102.233-126.149 165.543 179.147 + 92.372 62.824 118.386 -95.968 + 129.162-119.586 101.856-120.045 + 91.800 62.701 143.256-126.585 + 111.448-106.815 94.567-109.713 + 116.775 150.744 166.116-155.474 + 124.148 165.873 0.000 0.000 + 134.726 -70.031 0.000 0.000 + 113.007 -90.642 88.963 -93.376 + 92.835 75.211 136.625-109.164 + 125.904 -2.692 122.692 -78.993 + 146.187 -62.636 0.000 0.000 + 95.267 152.965 107.382 -43.440 + 93.037 124.791 107.095-121.393 + 130.046-171.640 116.771-112.736 + 93.872 25.453 100.650-104.546 + 118.708 0.000 120.112 -80.979 + # 132 total E -4.11228E+01 rmsd from N 0.000 %NC 0.00 + 93.812 112.613 148.645 -17.953 + 92.989 116.521 140.623 -34.005 + 128.968-103.583 97.686 -91.250 + 117.862 167.932 161.083-108.535 + 92.528 80.651 142.685-132.121 + 127.137 -99.585 111.105-122.325 + 123.564 178.428 171.043-142.751 + 92.999 92.007 132.436 -76.799 + 92.925 -49.160 108.364 -81.441 + 117.224 -50.423 0.000 0.000 + 110.875 -30.747 0.000 0.000 + 104.588 171.415 129.792-146.385 + 93.777 95.667 114.012 -77.981 + 120.473 147.676 119.399 -81.156 + 135.809 -95.271 0.000 0.000 + 126.429-103.866 128.512 -49.072 + 121.075 133.018 117.916-123.397 + 121.201-173.486 121.272-125.337 + 107.775 -13.693 98.549 -88.222 + 118.897 0.000 119.743 -80.073 + # 133 total E -4.10542E+01 rmsd from N 0.000 %NC 0.00 + 93.767 5.628 147.115 -30.984 + 120.123-107.796 149.927-123.365 + 127.605 178.115 164.576 163.087 + 119.616-178.593 167.052-120.183 + 125.583-176.342 155.344-101.475 + 114.420-179.680 139.419 -32.591 + 122.650-177.389 144.305-156.135 + 123.480-176.874 147.705-104.374 + 121.295-178.694 151.121 -18.074 + 136.269 -63.716 0.000 0.000 + 107.561 -20.364 0.000 0.000 + 96.907 -56.473 94.585 -88.756 + 93.099 77.169 108.389 -76.278 + 131.430 -91.602 115.993 -77.048 + 110.222 -51.363 0.000 0.000 + 92.879 81.452 83.140 64.860 + 120.745-110.565 112.588-118.065 + 114.755-141.110 99.471 -88.491 + 92.950 97.829 105.050-110.141 + 118.429 0.000 115.411 -82.380 + # 134 total E -4.10409E+01 rmsd from N 0.000 %NC 0.00 + 93.819 124.023 150.575-131.765 + 119.941-174.236 176.430-168.187 + 132.804 -73.015 157.065 131.023 + 94.198 79.961 164.736-135.700 + 91.066 66.387 136.996-108.310 + 91.922 126.080 88.023 -82.960 + 92.113 115.334 141.280-112.818 + 121.583 -82.402 141.569-143.940 + 94.900 -54.005 143.808-117.819 + 126.904-161.837 0.000 0.000 + 130.008 -55.390 0.000 0.000 + 119.266 -86.958 108.502-107.603 + 93.261 90.987 114.824 -76.492 + 128.540-107.669 118.135 -83.093 + 127.765-179.848 0.000 0.000 + 120.629 64.505 85.197-107.411 + 126.431-107.658 116.520-115.881 + 120.022-141.905 113.597-115.160 + 93.243 73.275 106.873-110.678 + 93.285 0.000 112.686 -77.819 + # 135 total E -4.09868E+01 rmsd from N 0.000 %NC 0.00 + 93.769 9.328 146.208 -30.741 + 116.619 176.968 150.125-121.299 + 127.813 178.896 114.780-102.009 + 122.615-179.668 124.080 -62.495 + 91.650 71.870 119.715-129.528 + 120.049 -87.170 136.991 132.679 + 118.920-175.102 154.703 -22.772 + 118.111-175.488 124.850 137.271 + 123.727-179.759 159.134-153.590 + 128.353 22.578 0.000 0.000 + 112.700 -25.010 0.000 0.000 + 98.187 176.271 101.769 -98.494 + 130.607-171.553 143.500-145.549 + 119.847-174.784 146.635 -68.173 + 128.817 179.519 0.000 0.000 + 93.228 85.166 107.433 30.896 + 122.812-168.979 108.148-109.574 + 122.437-144.610 112.223-111.593 + 118.106-100.627 127.792-136.336 + 94.370 0.000 114.823 -76.187 + # 136 total E -4.09544E+01 rmsd from N 0.000 %NC 0.00 + 118.248-154.782 146.252 -20.249 + 119.812-179.189 157.224-157.763 + 129.771 -82.542 150.325 -1.325 + 117.430 -51.520 134.509 -76.571 + 92.439 170.929 106.080 -36.489 + 93.431 97.772 92.502-121.200 + 121.448 -98.401 149.739-146.194 + 126.060-176.057 134.963-137.919 + 121.618 -71.006 150.931 -18.004 + 132.429 -67.896 0.000 0.000 + 120.902 -33.891 0.000 0.000 + 111.980-179.698 129.950-142.369 + 122.109 177.169 134.313 -16.949 + 94.322 90.437 115.877 -76.110 + 137.576-104.214 0.000 0.000 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130.339-104.360 96.024 -86.058 + 116.562 115.646 157.285-129.240 + 129.147 -91.100 126.627 -78.236 + 129.071 -30.545 160.941 -6.085 + 118.497 -98.265 156.964 -18.812 + 126.732 165.612 156.859-123.266 + 118.403 -79.282 105.950 -80.430 + 95.859 62.408 0.000 0.000 + 94.641 39.129 0.000 0.000 + 90.504 58.156 106.411 -99.233 + 91.038 142.226 115.886 -75.047 + 90.899 -71.180 114.686 -77.996 + 94.111 24.705 0.000 0.000 + 128.793 85.182 129.777-133.468 + 109.044-169.519 86.962-104.085 + 123.060-123.128 110.907-109.815 + 117.047-129.345 141.150-155.717 + 124.732 0.000 122.428 -86.088 + # 139 total E -4.05869E+01 rmsd from N 0.000 %NC 0.00 + 114.216-165.466 146.034-126.069 + 119.121 174.618 150.092 -21.636 + 111.682 166.354 154.084-121.200 + 92.798 75.907 139.414 -96.824 + 91.149 115.844 86.589 -69.539 + 125.661-125.403 176.504 19.128 + 117.351 85.805 147.864-146.631 + 131.091 -98.697 148.114-169.338 + 115.266-173.127 150.073 -20.304 + 136.744 177.460 0.000 0.000 + 103.006 -10.953 0.000 0.000 + 108.451-145.603 129.626-143.627 + 129.363-167.104 154.539 -96.670 + 126.557 -41.778 122.091 -80.221 + 132.369 106.463 0.000 0.000 + 114.972 174.368 120.274 -44.884 + 94.228 127.031 100.596-124.277 + 106.291-106.362 133.526-151.977 + 114.124-127.611 95.094 -85.862 + 123.905 0.000 121.421 -84.857 + # 140 total E -4.03479E+01 rmsd from N 0.000 %NC 0.00 + 93.595 99.372 142.549-129.668 + 118.168 178.130 156.992-151.066 + 120.243 168.290 154.073 -9.792 + 120.628 175.587 144.551 -96.937 + 124.670 -70.646 156.461-141.737 + 123.864 -55.630 96.941 -73.925 + 123.069 -59.851 161.784-174.668 + 93.238 88.479 133.835-133.673 + 93.234 7.178 140.406-113.812 + 116.242-163.541 0.000 0.000 + 131.441 -60.993 0.000 0.000 + 114.738 170.436 138.706-154.895 + 118.372 176.956 119.699 -79.444 + 123.669-179.372 142.497-157.190 + 127.421 175.282 0.000 0.000 + 128.266 -77.896 144.922 -45.799 + 119.942-142.782 109.877-110.129 + 105.840 133.673 119.063-129.068 + 93.278 124.033 103.404-114.232 + 120.072 0.000 119.780 -82.522 + # 141 total E -4.02830E+01 rmsd from N 0.000 %NC 0.00 + 116.524-138.994 151.708-151.252 + 129.055-176.740 176.423-162.792 + 120.057 171.111 147.927-126.516 + 92.849 71.861 138.646 -95.475 + 90.628 19.132 123.743-115.036 + 100.782-102.312 123.234-103.420 + 115.148 -73.551 161.112-175.120 + 93.098 70.695 136.777-141.154 + 93.356 136.393 142.950-121.768 + 144.549 -83.936 0.000 0.000 + 114.582 -23.985 0.000 0.000 + 116.408 -91.070 117.876-122.274 + 128.589 79.487 140.855 15.700 + 113.447 148.618 118.774 -78.344 + 130.685 167.544 0.000 0.000 + 127.820-112.672 104.098 102.717 + 119.574 133.128 123.748-134.110 + 126.298-172.593 112.377-108.394 + 117.701 136.632 127.080-135.645 + 93.604 0.000 114.776 -77.489 + # 142 total E -4.02608E+01 rmsd from N 0.000 %NC 0.00 + 118.060-146.054 149.627 -20.805 + 119.104 175.986 147.813 -26.985 + 115.530 177.439 116.831 -76.787 + 120.141-176.826 138.194 -97.006 + 120.818 178.847 147.281-127.376 + 93.753 99.090 127.714 -14.719 + 116.149 -97.969 156.344 -24.011 + 125.535-174.510 129.867-116.254 + 120.493-177.921 159.822-155.020 + 126.448 172.156 0.000 0.000 + 134.458 -57.521 0.000 0.000 + 117.850 175.529 125.402-131.716 + 124.511 177.262 120.774 -80.508 + 125.662 -90.342 149.462 -67.303 + 125.685-174.692 0.000 0.000 + 128.926 -76.793 148.707 69.957 + 118.950-143.657 118.594-125.324 + 101.472 140.582 105.142-100.691 + 120.466 152.252 120.473-126.519 + 93.744 0.000 114.929 -77.515 + # 143 total E -4.02220E+01 rmsd from N 0.000 %NC 0.00 + 93.601 98.513 143.456-129.936 + 114.300 176.701 159.221 -14.699 + 93.414 84.219 102.879 -77.333 + 92.338 113.388 139.755 -93.286 + 91.621 130.569 128.534-129.903 + 124.662 33.545 87.027-101.387 + 92.298 -59.176 132.655-106.562 + 91.868 -18.635 133.560-115.450 + 109.739 158.192 152.158-139.271 + 117.601 160.849 0.000 0.000 + 144.039-145.514 0.000 0.000 + 121.446 -84.907 111.925-111.445 + 92.478 85.491 121.978 145.179 + 94.322 34.131 110.421 -78.483 + 137.714 -57.379 0.000 0.000 + 93.239 95.245 120.453-155.581 + 130.414-163.340 105.557 -99.900 + 99.929-167.701 101.969-100.037 + 94.052 64.554 124.617-146.818 + 93.380 0.000 132.226-115.799 + # 144 total E -3.98291E+01 rmsd from N 0.000 %NC 0.00 + 93.820 106.211 144.882 -26.761 + 117.014 167.471 160.288-136.133 + 123.660 48.790 157.981 8.164 + 119.824-108.526 125.773 -65.041 + 90.648 62.516 104.034 -49.769 + 91.679 51.745 151.421-116.429 + 91.038 63.195 135.696 -91.445 + 92.767 160.328 128.659-144.926 + 117.133-179.624 153.192 -16.345 + 125.569 171.941 0.000 0.000 + 134.156 -60.492 0.000 0.000 + 116.909 -85.839 124.534-131.158 + 116.789 83.994 146.174-108.396 + 123.101-178.083 147.601 -53.450 + 124.809 175.712 0.000 0.000 + 129.314 -78.311 138.276-164.046 + 119.880-142.375 111.678-113.274 + 107.029 138.153 118.525-127.116 + 120.745 -29.161 120.307-125.946 + 118.976 0.000 145.990-110.928 + # 145 total E -3.98074E+01 rmsd from N 0.000 %NC 0.00 + 116.633 170.927 141.467 -25.022 + 109.045 156.083 112.191 -69.635 + 129.500 90.913 97.373 -93.127 + 118.402-112.138 163.384 175.875 + 91.020 36.677 113.663 -72.289 + 93.384 65.842 156.794 33.498 + 92.215 -82.542 137.411 -49.995 + 122.234-174.995 126.177-123.215 + 95.328 -58.449 149.854-133.714 + 124.026-165.975 0.000 0.000 + 132.930 -52.488 0.000 0.000 + 116.832 177.845 126.721-134.258 + 124.361-179.611 147.337-102.279 + 125.581-179.398 121.827 -80.090 + 126.976 171.153 0.000 0.000 + 128.887-103.746 106.120 -55.056 + 116.870-167.895 121.254-129.779 + 92.169 54.208 107.747-105.009 + 93.205 29.405 92.026 -96.868 + 93.371 0.000 116.684 -77.589 + # 146 total E -3.95831E+01 rmsd from N 0.000 %NC 0.00 + 93.619 19.989 144.094-127.310 + 118.242-177.107 160.138-146.562 + 131.202-106.529 164.298 168.635 + 123.375-173.539 142.611 -76.946 + 91.829 -59.972 122.743-124.809 + 93.579 153.334 131.532 -13.916 + 91.519 88.640 138.169-137.285 + 92.149 94.339 121.735-103.131 + 93.424 21.263 150.356 -25.201 + 121.628-166.711 0.000 0.000 + 132.291 -55.368 0.000 0.000 + 114.700 106.938 129.052-139.188 + 127.463-100.634 120.775 -80.571 + 126.712-175.290 149.992 -62.788 + 127.402 176.093 0.000 0.000 + 128.287 -77.629 145.298 -45.673 + 120.012-142.749 109.188-109.099 + 106.498 134.677 118.739-128.239 + 105.829-119.579 103.943-110.865 + 120.625 0.000 144.566-123.404 + # 147 total E -3.95213E+01 rmsd from N 0.000 %NC 0.00 + 118.586-148.894 147.673 -16.986 + 116.278-168.593 152.721 -16.820 + 132.338 167.625 160.323 156.125 + 96.781 -66.971 140.257 -81.021 + 91.237 49.132 106.389-101.543 + 120.039 -88.869 102.507-114.228 + 92.680 107.896 150.259-170.678 + 128.970 -83.799 133.948 -69.732 + 124.483-172.815 103.198 -81.827 + 96.067 145.477 0.000 0.000 + 121.111 -36.387 0.000 0.000 + 111.168 112.604 129.840-142.598 + 121.146-170.081 125.737 -82.752 + 95.129 62.798 115.702 -76.324 + 134.316 -64.378 0.000 0.000 + 92.544 87.700 95.888 53.245 + 120.454-164.193 109.271-113.067 + 109.628-112.579 100.741 -95.013 + 117.516-118.826 126.528-136.389 + 121.853 0.000 121.734 -80.936 + # 148 total E -3.94696E+01 rmsd from N 0.000 %NC 0.00 + 117.037-173.075 144.828 -26.424 + 118.997 177.969 154.644-113.348 + 122.217 175.564 135.275-125.875 + 123.702 178.732 127.514 -59.258 + 91.650 72.748 118.172 -65.113 + 120.399 -94.619 146.740 142.998 + 119.457-178.013 158.581-124.485 + 125.577-176.760 170.309-128.531 + 120.478-178.132 161.680-149.861 + 126.454 172.190 0.000 0.000 + 134.367 -57.128 0.000 0.000 + 117.271 176.644 126.665-133.889 + 124.469-179.581 147.324 -99.324 + 125.180-178.606 148.315 -48.628 + 124.551 171.272 0.000 0.000 + 129.980-103.053 137.785-153.316 + 122.340 133.818 117.485-122.081 + 118.130 152.454 116.589-120.127 + 118.407 -24.973 126.141-134.822 + 119.426 0.000 120.435 -80.264 + # 149 total E -3.94635E+01 rmsd from N 0.000 %NC 0.00 + 93.599 103.249 142.767-130.635 + 120.768 177.748 168.488-169.567 + 123.681 -43.965 156.316 6.882 + 91.343 82.146 132.389-106.961 + 90.731 -28.735 90.339 -84.782 + 124.663-172.287 140.724 -33.215 + 120.881-175.706 157.023-163.903 + 123.858-176.738 131.671-112.438 + 122.011-178.000 111.724 -79.879 + 126.336 172.146 0.000 0.000 + 134.412 -57.407 0.000 0.000 + 118.030 176.270 125.275-131.417 + 125.624-178.771 121.036 -80.786 + 125.442-174.666 121.903 -79.963 + 135.780 -98.335 0.000 0.000 + 125.414-106.288 127.911 -47.822 + 119.877 122.374 119.291-126.299 + 92.481 50.896 108.355-117.770 + 107.958 -18.545 124.927-138.343 + 93.472 0.000 115.301 -77.078 + # 150 total E -3.94183E+01 rmsd from N 0.000 %NC 0.00 + 116.755-138.274 152.637-148.254 + 122.622 -66.671 152.588-131.347 + 114.128 79.799 133.654 117.891 + 102.700 163.050 144.269 -76.911 + 92.345 91.915 130.953-135.143 + 122.228 -50.488 93.556 -75.016 + 95.208 -89.338 146.239 -40.022 + 122.487 174.273 113.821 132.029 + 118.080 -74.746 149.363 -27.443 + 95.487 166.561 0.000 0.000 + 142.699 -51.372 0.000 0.000 + 106.520 176.600 95.139 -93.111 + 125.180-179.876 121.053 -80.694 + 124.413-178.301 147.117 -57.359 + 124.052 171.534 0.000 0.000 + 130.053-102.686 135.300-148.947 + 123.058 134.155 117.432-121.230 + 125.225-173.441 115.588-114.616 + 93.447 111.578 102.084-102.374 + 118.015 0.000 135.592-125.470 + # 151 total E -3.93867E+01 rmsd from N 0.000 %NC 0.00 + 117.332-175.876 111.702 -77.431 + 92.791 25.345 147.673 -41.647 + 108.858 74.927 160.690 9.046 + 113.618 -87.660 163.932-141.481 + 114.045-176.114 154.585 -74.562 + 117.018-179.100 144.569 -36.649 + 121.881-177.825 144.482-155.913 + 123.470-176.920 150.132-111.052 + 121.338-178.882 151.224 -18.156 + 134.782 -64.965 0.000 0.000 + 106.872 -15.989 0.000 0.000 + 96.401 -52.898 129.791-150.744 + 93.020 -9.736 114.851 -76.081 + 118.902-169.008 119.875 -79.313 + 125.045 173.411 0.000 0.000 + 128.928 -94.216 120.913 -52.464 + 117.974-108.395 118.408-124.837 + 119.146-140.412 110.733-110.316 + 116.251 5.663 128.820-138.585 + 93.463 0.000 135.528-114.137 + # 152 total E -3.91883E+01 rmsd from N 0.000 %NC 0.00 + 93.968 129.679 144.971 -0.728 + 107.547 170.128 142.915 -28.540 + 108.613 111.033 132.834-122.441 + 121.139-104.110 113.741 -68.012 + 90.983 79.564 125.355 149.609 + 91.883 111.661 148.122 6.027 + 91.889 -50.359 120.367-118.045 + 96.898 179.188 127.116-114.049 + 118.224-178.336 151.296-155.536 + 126.424 172.577 0.000 0.000 + 133.156 -53.394 0.000 0.000 + 112.262-177.967 130.577-143.098 + 135.427-178.051 176.435 -75.477 + 121.244 -38.009 119.965 -79.111 + 122.552 -16.263 0.000 0.000 + 94.241 91.033 107.432 29.240 + 117.359-168.812 110.275-115.990 + 111.586-112.423 101.629-100.107 + 117.954-118.936 120.819-125.855 + 121.965 0.000 121.582 -81.145 + # 153 total E -3.87318E+01 rmsd from N 0.000 %NC 0.00 + 93.746 74.327 148.576-151.696 + 92.923 152.133 140.566 -23.152 + 131.821-120.536 132.391-128.144 + 93.694 98.046 138.387 -93.417 + 90.298 -63.959 94.325 -79.498 + 92.638 103.680 129.335 -48.596 + 103.669 -85.324 152.887 -28.106 + 128.527-171.808 118.137-104.121 + 120.134 -64.986 118.232 -86.276 + 123.307 58.297 0.000 0.000 + 123.982 -66.362 0.000 0.000 + 110.871 164.251 129.469-142.038 + 127.082 169.908 121.685 -80.460 + 123.688 159.496 148.618 -65.010 + 136.453 -86.256 0.000 0.000 + 93.476 84.036 122.137-150.478 + 129.353-166.650 111.365-110.716 + 129.240 139.728 116.909-113.176 + 109.769 -21.830 94.149 -74.255 + 93.468 0.000 114.022 -76.942 + # 154 total E -3.84581E+01 rmsd from N 0.000 %NC 0.00 + 93.605 99.659 142.898-130.117 + 118.226 177.848 157.619-148.215 + 117.672 165.728 153.037 13.156 + 102.268 -58.936 159.507-165.180 + 91.786 149.609 115.599 -11.776 + 93.251 98.041 126.878-132.970 + 112.932-101.161 154.404 -28.311 + 125.578-177.670 128.866-121.526 + 120.711 -71.146 161.366-156.489 + 132.633 -68.935 0.000 0.000 + 124.314 -34.779 0.000 0.000 + 123.547-174.934 113.167-110.954 + 117.936 172.767 119.493 -79.599 + 121.797 -62.121 115.808 -78.624 + 119.529 -37.884 0.000 0.000 + 93.582 84.243 123.733-148.915 + 124.876-110.349 107.816-109.165 + 120.200-141.570 112.513-113.118 + 117.970-103.161 126.201-132.547 + 94.445 0.000 114.484 -77.170 + # 155 total E -3.84063E+01 rmsd from N 0.000 %NC 0.00 + 119.368-112.490 110.226 -80.160 + 122.319 -97.652 166.234 -12.772 + 126.961 177.366 155.626 -1.322 + 116.184 178.232 163.862-135.026 + 125.162-177.905 165.105-105.768 + 114.192 179.319 139.071 -29.173 + 122.208-177.989 144.762-157.714 + 123.719-177.053 145.309-101.405 + 120.733-177.001 159.334-153.632 + 127.832-176.833 0.000 0.000 + 94.166 45.081 0.000 0.000 + 99.202 169.093 130.524-150.250 + 93.617 98.583 115.286 -76.901 + 120.726-106.957 117.548 -80.396 + 119.448 178.681 0.000 0.000 + 129.964 -99.330 135.185-150.393 + 122.654 134.607 119.744-124.686 + 100.042-174.522 102.222 -98.014 + 117.139 144.107 129.196-141.834 + 119.079 0.000 143.770-107.541 + # 156 total E -3.81719E+01 rmsd from N 0.000 %NC 0.00 + 93.734 6.605 106.868 -79.395 + 123.825 -74.952 159.743-105.461 + 128.787 6.451 88.672 -89.114 + 122.759 -89.135 104.420 -79.462 + 90.542 65.264 126.891 149.871 + 98.214-168.908 133.046 -15.183 + 124.339-171.546 147.746 165.323 + 120.174-167.647 129.334-137.034 + 94.203 57.808 151.065 -20.252 + 125.114 -68.295 0.000 0.000 + 118.209-164.745 0.000 0.000 + 93.172 86.404 110.907-118.685 + 122.151 -96.706 142.419-120.342 + 127.847-173.666 123.324 -79.037 + 123.297 174.916 0.000 0.000 + 130.031 -84.859 132.493-151.393 + 118.589-109.414 116.391-122.151 + 119.275-140.030 111.234-111.164 + 116.054 5.947 128.934-138.428 + 93.383 0.000 115.620 -77.050 + # 157 total E -3.80862E+01 rmsd from N 0.000 %NC 0.00 + 93.617 18.943 143.687-125.851 + 116.640 178.408 153.739-120.270 + 120.836 174.864 138.025-124.247 + 114.303 166.032 135.722 -71.385 + 91.906 26.875 122.579-127.231 + 115.477 79.836 162.809 166.111 + 113.230 -92.105 155.359 -24.785 + 122.043-176.763 132.863-132.137 + 121.732 -70.427 151.015 -19.817 + 130.588 -64.294 0.000 0.000 + 102.756 -25.075 0.000 0.000 + 98.784 171.438 130.170-149.741 + 93.300 90.125 133.694-124.250 + 94.369 157.571 114.087 -77.321 + 123.826 170.372 0.000 0.000 + 128.730 -85.962 139.752 -46.371 + 119.771-162.316 118.129-124.143 + 110.700-114.790 100.391 -92.814 + 116.189 14.493 127.640-137.836 + 93.445 0.000 135.298-114.801 + # 158 total E -3.78875E+01 rmsd from N 0.000 %NC 0.00 + 117.164-141.858 154.074-142.390 + 121.218-176.712 160.753-157.736 + 139.444 -67.143 152.601 137.183 + 127.688 -41.984 157.932-116.814 + 93.081 153.789 126.283-130.924 + 127.159 -72.371 147.884-148.480 + 93.861 -14.067 159.092-120.308 + 95.294 103.598 133.596-134.375 + 109.737-172.040 151.859 -20.285 + 134.360 -71.296 0.000 0.000 + 99.005 -30.048 0.000 0.000 + 94.835 165.621 130.231-152.289 + 124.066 178.934 123.990 -83.219 + 125.301-178.701 122.376 -80.492 + 127.399 175.423 0.000 0.000 + 129.210 -79.020 148.399 70.454 + 119.010-143.756 118.486-125.111 + 101.549 141.180 104.996-100.519 + 120.447-120.416 119.998-126.060 + 121.888 0.000 121.527 -81.067 + # 159 total E -3.77443E+01 rmsd from N 0.000 %NC 0.00 + 93.615 22.568 143.356-123.450 + 120.088 -95.644 152.936-144.869 + 125.102-167.044 118.232 -77.058 + 119.630 -84.354 163.349-135.692 + 117.221 177.666 135.112 -35.089 + 117.106 177.649 97.778-136.920 + 112.691-176.097 134.830-100.149 + 126.190 164.535 119.295-118.578 + 110.275 -71.461 108.855 -79.921 + 94.711 60.746 0.000 0.000 + 130.455 -48.289 0.000 0.000 + 118.034 -84.754 111.791-113.604 + 124.451 72.405 138.684 12.804 + 95.198 -65.548 114.583 -76.172 + 113.606 -24.548 0.000 0.000 + 122.678 -93.855 133.664-114.233 + 99.025 133.750 104.083-139.134 + 117.527-173.489 120.295-126.661 + 93.797 70.383 131.513-155.480 + 93.312 0.000 114.064 -77.159 + # 160 total E -3.75246E+01 rmsd from N 0.000 %NC 0.00 + 93.625 19.340 144.079-126.934 + 118.346 179.889 159.058-143.133 + 126.720 173.561 162.393-169.148 + 118.008 178.287 143.604 -85.020 + 124.497 177.495 147.563-131.238 + 126.863-176.552 110.713-131.208 + 115.987-179.217 143.255 -84.187 + 123.486-179.297 130.273 145.783 + 122.415 -71.193 111.241 -80.489 + 132.011 -67.332 0.000 0.000 + 121.078 -34.055 0.000 0.000 + 113.039-179.488 128.209-138.828 + 124.364 177.835 121.101 -80.475 + 125.668 -90.851 149.522 -68.565 + 125.638-175.405 0.000 0.000 + 128.985 -82.116 147.378 72.935 + 119.848-165.256 119.366-126.586 + 92.661 55.751 108.903-106.698 + 93.053 128.543 128.830-151.303 + 117.444 0.000 132.216-109.406 + # 161 total E -3.72084E+01 rmsd from N 0.000 %NC 0.00 + 117.729 -93.473 145.836 -32.198 + 92.357 89.005 153.221-133.142 + 93.714 109.419 104.497 -91.626 + 121.478-110.803 113.569 -56.941 + 117.824 -87.143 121.941 -52.072 + 109.361-174.621 129.200 -43.751 + 121.639-177.896 142.441-151.613 + 114.950 169.018 143.615-102.796 + 92.801 -50.758 146.173 -29.454 + 100.698 -20.558 0.000 0.000 + 112.105 -26.007 0.000 0.000 + 95.499 -48.716 93.721 -99.837 + 92.456 80.185 114.522 -76.328 + 134.514 -95.835 117.162 -82.299 + 116.259 -23.816 0.000 0.000 + 114.008 175.244 135.222 -91.813 + 93.815 126.016 105.539-131.317 + 125.151-111.938 112.641-111.040 + 117.643-118.887 125.033-132.015 + 121.869 0.000 121.632 -80.962 + # 162 total E -3.68846E+01 rmsd from N 0.000 %NC 0.00 + 93.674 109.990 145.666-155.579 + 108.530 -54.181 156.949 -23.779 + 111.058 83.415 160.886 5.611 + 119.642 -94.046 160.716 -77.083 + 118.650 177.773 146.208 145.783 + 126.583-176.650 107.571-143.880 + 117.155-177.418 150.659 -27.180 + 122.952-176.540 121.392-118.275 + 122.643-176.245 113.092 -78.358 + 130.520 -59.514 0.000 0.000 + 103.816 -35.595 0.000 0.000 + 93.110 80.509 131.918-155.722 + 136.085-109.952 144.301 -3.873 + 121.336 -56.557 116.797 -80.505 + 118.018 -9.499 0.000 0.000 + 113.417 -79.808 142.973 159.099 + 116.493 124.392 119.001-128.238 + 91.352 49.763 124.098-145.211 + 92.497 60.345 90.933 -93.254 + 93.327 0.000 111.303 -80.115 + # 163 total E -3.68283E+01 rmsd from N 0.000 %NC 0.00 + 117.965 168.830 139.049 -9.045 + 91.464 80.294 151.403-145.633 + 92.191 73.077 176.448 177.824 + 86.145 148.622 130.636 -77.329 + 90.818 71.534 129.005-151.732 + 91.888 112.367 131.120 18.335 + 91.397 84.024 148.988 -39.023 + 93.346 132.318 99.873-125.044 + 119.427 43.624 115.062 -83.220 + 130.047 -60.356 0.000 0.000 + 110.251 -32.714 0.000 0.000 + 92.768 87.940 131.493-155.053 + 130.915-111.046 118.421 -81.253 + 118.926 129.483 146.278 -52.892 + 140.011 -98.674 0.000 0.000 + 119.975 -93.119 127.476 74.849 + 112.431 45.355 123.859-135.778 + 93.043 122.859 104.557-112.170 + 120.581 64.091 118.320-121.931 + 93.411 0.000 131.167-132.136 + # 164 total E -3.67819E+01 rmsd from N 0.000 %NC 0.00 + 93.729 8.864 105.131 -79.390 + 92.810 111.518 131.898 -93.045 + 137.596-102.703 156.781 136.503 + 116.387 171.960 124.836-107.587 + 92.077 85.975 120.434 -99.368 + 121.603 -66.723 127.327 48.740 + 92.849 110.921 149.851 -99.536 + 124.858 -96.069 122.495-126.153 + 124.881 -61.725 149.504 -22.516 + 120.892 -59.308 0.000 0.000 + 95.375 174.683 0.000 0.000 + 92.959 66.382 125.565-148.645 + 113.376-101.206 115.666 -78.436 + 123.847 141.637 121.058 -79.656 + 134.493 -77.033 0.000 0.000 + 92.952 75.420 85.945-106.508 + 125.299-166.584 115.878-118.263 + 122.034-139.868 111.650-108.931 + 117.236-114.612 127.384-134.883 + 94.757 0.000 137.395-121.601 + # 165 total E -3.61293E+01 rmsd from N 0.000 %NC 0.00 + 121.514 -89.718 168.310-160.683 + 120.807-168.111 151.305 -13.832 + 133.967 -80.871 150.030 99.051 + 121.383-176.435 126.254-108.509 + 120.460 118.375 145.543-117.598 + 118.320 -88.069 132.989 -21.493 + 92.802 77.540 143.865 -46.852 + 124.467-124.366 146.809-153.670 + 121.204 172.034 110.989 -79.913 + 135.716 -81.325 0.000 0.000 + 126.162 -57.744 0.000 0.000 + 113.610 169.997 124.025-131.773 + 122.855-179.584 118.274 -78.691 + 120.623-176.590 129.386 51.863 + 136.318 -75.538 0.000 0.000 + 93.781 149.477 112.122-146.495 + 93.302 126.718 101.005-120.746 + 124.496-111.570 115.100-116.172 + 117.762-118.673 123.914-129.715 + 121.800 0.000 121.575 -81.011 + # 166 total E -3.59816E+01 rmsd from N 0.000 %NC 0.00 + 93.711 11.041 105.220 -80.520 + 92.753 101.010 141.863-127.175 + 130.361 -85.873 150.459 9.609 + 123.447 -72.392 119.169 -66.274 + 92.101 4.728 108.932 -81.888 + 127.594 83.370 96.344 -96.575 + 126.435-108.770 162.300-161.115 + 133.340-179.291 127.299-125.773 + 122.217 -78.126 168.908-147.516 + 134.843 -78.174 0.000 0.000 + 130.063 -41.272 0.000 0.000 + 124.175 112.238 114.512-113.558 + 132.146-105.473 148.772 -48.786 + 94.593 34.462 114.642 -76.729 + 95.634 61.849 0.000 0.000 + 105.775 -67.786 135.656-135.403 + 117.916 135.389 113.901-119.592 + 130.285-170.890 117.854-115.423 + 122.169 136.105 117.035-117.576 + 93.586 0.000 114.756 -77.473 + # 167 total E -3.53508E+01 rmsd from N 0.000 %NC 0.00 + 114.779-174.776 149.373-114.990 + 109.881 121.714 148.338 -23.435 + 132.239 -98.247 95.978-102.472 + 121.536-167.294 163.875 -73.282 + 118.056-168.450 153.318-179.769 + 123.379 173.686 153.891 165.561 + 103.709 -46.461 154.201 -24.837 + 93.324 115.396 129.545-116.924 + 115.145 -94.316 107.913 -83.262 + 142.972 -62.403 0.000 0.000 + 108.451 -12.030 0.000 0.000 + 92.620 92.097 128.490-149.728 + 91.809 119.533 111.078 -76.580 + 132.059 -96.668 118.345 -81.954 + 109.042-177.148 0.000 0.000 + 125.791 80.922 139.318-153.680 + 123.668-162.651 112.212-112.035 + 113.594 133.095 117.240-123.488 + 119.048 64.350 121.648-128.751 + 93.344 0.000 114.971 -77.271 + # 168 total E -3.52133E+01 rmsd from N 0.000 %NC 0.00 + 93.626 20.047 144.150-132.275 + 114.304 179.679 162.182 -19.634 + 117.777 175.531 172.922 15.008 + 125.322-178.443 161.116-156.591 + 111.085 179.272 125.557 -4.803 + 126.757-178.795 150.966-169.496 + 118.615-178.395 157.594 -18.322 + 123.952-177.192 128.510-140.661 + 121.887-178.078 151.416 -16.600 + 126.139 172.176 0.000 0.000 + 133.642 -56.593 0.000 0.000 + 106.804 174.093 98.865 -90.978 + 124.118 179.996 147.069-111.238 + 125.605-179.098 121.783 -80.199 + 127.252 173.856 0.000 0.000 + 129.178 -85.629 148.330 65.919 + 121.167-165.463 113.539-116.654 + 114.730 52.205 123.202-129.772 + 115.490-119.609 124.070-133.474 + 120.858 0.000 147.932-111.880 + # 169 total E -3.52127E+01 rmsd from N 0.000 %NC 0.00 + 117.648-116.687 154.387-157.913 + 118.238 169.319 152.272-119.117 + 118.679 52.409 155.552 -11.001 + 125.412 -69.791 165.125-153.231 + 92.175 103.311 129.474-130.492 + 108.828 161.731 92.057 -92.494 + 92.239 91.200 133.652-140.734 + 92.863 151.367 112.270-135.425 + 119.263 -63.643 152.342 -19.438 + 127.346-145.517 0.000 0.000 + 94.471 85.388 0.000 0.000 + 107.426 -39.707 122.197-133.467 + 93.676 79.643 114.853 -76.510 + 93.562 134.944 119.855 -76.396 + 126.496 31.327 0.000 0.000 + 128.763 83.870 135.611-145.520 + 126.815-170.187 113.200-112.603 + 127.843-142.102 110.020-105.305 + 118.936-117.989 114.913-117.364 + 121.744 0.000 121.425 -81.100 + # 170 total E -3.51166E+01 rmsd from N 0.000 %NC 0.00 + 113.380 -40.556 151.822-146.476 + 92.943 109.621 150.267-139.737 + 130.547-100.922 160.689 175.193 + 122.127-174.082 165.952-138.480 + 125.334-172.932 155.027 -93.935 + 120.931-161.216 138.081 25.286 + 126.851 -72.033 166.418 -5.681 + 94.360 115.289 129.448-122.560 + 113.663 -87.480 116.686 -83.898 + 131.816 -59.169 0.000 0.000 + 119.527-138.875 0.000 0.000 + 116.471 174.547 129.884-140.822 + 123.540 177.413 147.256 -95.086 + 125.406 -64.367 121.582 -79.894 + 127.244 -22.957 0.000 0.000 + 127.110 -76.152 142.272 177.579 + 118.845-144.004 118.211-124.829 + 101.520 141.131 105.073-100.968 + 120.510-112.120 119.973-125.941 + 94.623 0.000 116.384 -77.749 + # 171 total E -3.49986E+01 rmsd from N 0.000 %NC 0.00 + 93.595 45.245 142.594-125.276 + 92.809 92.727 148.875-144.516 + 122.594 170.537 167.794 169.609 + 119.352-179.221 166.007-113.153 + 125.674-176.352 155.543-104.538 + 114.210-179.814 140.518 -30.959 + 122.626-177.700 144.306-156.995 + 122.625-179.159 148.278-106.222 + 121.620 -69.976 152.245 -18.356 + 131.425 -66.568 0.000 0.000 + 101.132 -26.784 0.000 0.000 + 96.121 169.154 101.431 -98.196 + 126.341 175.912 123.977 -84.122 + 125.515 -93.941 149.409 -67.398 + 125.323-179.106 0.000 0.000 + 128.016-108.819 127.386 -48.619 + 120.540 122.850 119.573-126.041 + 91.952 48.248 106.999-113.717 + 92.585 102.663 127.946-150.656 + 121.349 0.000 120.721 -85.204 + # 172 total E -3.45721E+01 rmsd from N 0.000 %NC 0.00 + 116.711-137.749 152.343-149.328 + 121.486 175.165 160.221-150.131 + 113.706 109.784 158.112 6.003 + 110.527 -96.778 131.508 -84.314 + 115.210 173.821 141.072 134.741 + 123.864-177.381 105.881-139.776 + 119.630 -70.467 152.180 -81.006 + 115.479 -32.587 129.706-132.701 + 93.741 -40.402 143.143-122.600 + 120.911-164.868 0.000 0.000 + 145.224 -26.444 0.000 0.000 + 106.429 -27.708 114.771-123.996 + 90.043 97.345 129.566 152.332 + 95.044 -23.657 111.129 -77.330 + 99.869 67.313 0.000 0.000 + 126.217-172.588 125.012 -78.368 + 94.277 114.639 100.347-128.642 + 91.492 49.454 110.651-120.793 + 92.742 84.444 93.467-107.518 + 93.436 0.000 126.041-133.003 + # 173 total E -3.42746E+01 rmsd from N 0.000 %NC 0.00 + 119.557-114.331 109.686 -78.619 + 113.850 173.308 170.694 -15.545 + 93.437 81.395 176.440 16.385 + 91.278 83.305 129.681-102.783 + 90.998 -37.736 97.250-101.897 + 124.956-165.740 140.775 -26.826 + 113.225-174.504 141.185-136.206 + 133.046-177.521 128.053-110.817 + 93.890 42.617 143.896-126.111 + 133.801 -66.862 0.000 0.000 + 111.460 -16.855 0.000 0.000 + 94.811 -53.271 105.367-110.883 + 93.390 -15.407 114.956 -77.506 + 110.911-165.283 118.004 -78.344 + 142.699-176.578 0.000 0.000 + 112.357 -59.725 139.356 -40.044 + 109.810-153.588 99.916 -96.807 + 109.757 16.257 128.853-143.166 + 108.936 144.211 127.559-141.238 + 119.024 0.000 142.369-115.585 + # 174 total E -3.39265E+01 rmsd from N 0.000 %NC 0.00 + 117.571 156.226 131.776 -20.699 + 92.345 94.259 151.785 162.018 + 120.634 -82.516 133.062-112.962 + 91.572 82.029 138.084-106.493 + 90.826 -8.188 115.242-105.451 + 106.215 165.581 151.068 -14.515 + 91.947 69.889 163.688 -34.619 + 92.426 104.214 100.336-121.567 + 119.891-101.998 119.150 -85.120 + 134.238-173.146 0.000 0.000 + 122.976 -39.400 0.000 0.000 + 91.470 66.238 100.964 -96.838 + 91.760 13.141 111.456 -76.766 + 104.175 -86.864 121.275 -70.544 + 128.477 -92.511 0.000 0.000 + 118.489 26.480 148.625 176.358 + 94.207 127.043 102.802-115.777 + 101.091-173.417 103.509-105.905 + 94.077 51.586 96.991-100.513 + 93.331 0.000 114.665 -77.941 + # 175 total E -3.37114E+01 rmsd from N 0.000 %NC 0.00 + 93.712 95.076 109.124 -81.375 + 118.200 178.539 165.069-162.605 + 123.137 -56.298 152.887 -0.756 + 128.075-151.385 130.445 -74.380 + 119.493 -90.733 144.151-152.296 + 92.535 73.189 116.022 136.042 + 91.289 51.491 149.938 -41.650 + 92.769 165.543 116.139-129.911 + 119.394-178.262 119.702 -82.059 + 139.216 -66.891 0.000 0.000 + 95.769 7.684 0.000 0.000 + 105.605-148.348 96.703 -88.962 + 130.265-171.621 125.236 -81.419 + 120.678-170.137 116.536 -78.042 + 139.911 168.218 0.000 0.000 + 114.646 42.632 119.576 -66.868 + 93.825 117.392 101.773-118.245 + 92.118 51.312 130.712-155.044 + 101.673-126.151 92.613 -92.965 + 121.573 0.000 121.390 -80.564 + # 176 total E -3.33259E+01 rmsd from N 0.000 %NC 0.00 + 93.582 15.992 141.070-115.156 + 120.200 -89.255 148.511-122.986 + 92.175 124.314 127.847 -34.004 + 92.029 39.103 120.490-101.331 + 91.542 95.999 96.464 -89.075 + 117.857 24.432 136.297 129.747 + 92.447 -67.759 140.504 -46.588 + 94.070 -10.844 133.382-125.014 + 96.163 165.270 106.032 -80.785 + 140.511 178.414 0.000 0.000 + 118.352-169.767 0.000 0.000 + 119.348 -81.828 110.745-111.912 + 92.970 -8.575 114.658 -76.266 + 115.807-155.578 144.223 -74.137 + 141.511-117.031 0.000 0.000 + 128.210 -72.320 139.341 -39.390 + 114.543-141.087 99.763 -83.867 + 118.342 135.017 116.243-119.857 + 117.778 67.742 117.588-123.487 + 117.374 0.000 136.204-132.657 + # 177 total E -3.31198E+01 rmsd from N 0.000 %NC 0.00 + 111.026 165.022 139.767-107.689 + 116.810 122.519 154.986-177.081 + 131.685-100.169 165.120 161.126 + 94.730 88.291 138.054-103.009 + 91.756 -84.227 106.719 -98.337 + 114.704-177.102 129.675 -41.107 + 124.867-177.358 148.047-158.235 + 117.523 179.190 137.321-103.141 + 120.363 -63.898 157.046-155.905 + 125.242-158.410 0.000 0.000 + 93.424 45.846 0.000 0.000 + 90.520 55.906 132.985-159.014 + 91.152 146.633 112.496 -76.527 + 133.065 -72.011 124.546 -84.334 + 119.120 1.789 0.000 0.000 + 117.105 -85.454 112.370-121.200 + 115.274 46.915 122.606-133.508 + 92.894 121.831 104.708-112.855 + 119.191 -23.453 121.171-126.097 + 93.384 0.000 109.873 -76.307 + # 178 total E -3.22168E+01 rmsd from N 0.000 %NC 0.00 + 93.621 47.278 144.170-135.722 + 91.674 88.376 134.170 -20.002 + 91.246 45.075 95.082 -86.566 + 90.609 43.212 173.025 178.593 + 89.830 50.787 130.515-108.966 + 92.944 74.541 144.989 22.052 + 92.335 -75.403 152.822-103.078 + 94.656 -50.913 137.901-103.970 + 93.585 10.200 142.705-127.915 + 151.036 -34.233 0.000 0.000 + 96.129 91.940 0.000 0.000 + 131.586 76.501 103.466 -97.029 + 132.327-140.976 123.480 -78.775 + 94.622 17.891 115.710 -76.229 + 125.922 -76.465 0.000 0.000 + 123.529-151.413 136.157 106.780 + 118.721 20.941 117.022-127.520 + 116.694 49.044 116.432-122.328 + 111.160-121.807 123.029-134.091 + 121.926 0.000 122.004 -80.907 + # 179 total E -3.20985E+01 rmsd from N 0.000 %NC 0.00 + 116.991 -74.682 151.273 -18.156 + 115.432 116.763 153.425-132.379 + 130.709 -99.174 150.698 -5.369 + 93.362 79.329 148.789 -91.389 + 92.563 155.730 123.022-127.153 + 117.784 175.230 159.925 177.127 + 112.707 170.494 162.995 -19.565 + 94.057 127.585 120.253-148.407 + 90.547 -40.881 143.957-100.100 + 95.566 -43.734 0.000 0.000 + 105.949 -11.480 0.000 0.000 + 99.244 -42.055 124.559-140.602 + 95.387 -26.223 121.445 -74.868 + 97.884 1.326 112.911 -77.017 + 145.002 -78.397 0.000 0.000 + 93.685 42.586 132.725 -50.992 + 112.829 138.414 117.486-128.267 + 123.835-172.081 124.534-130.105 + 93.435 112.058 132.521-156.085 + 118.566 0.000 116.388 -81.542 + # 180 total E -3.18608E+01 rmsd from N 0.000 %NC 0.00 + 93.622 106.808 144.460-133.851 + 109.781 161.344 134.324 -39.330 + 93.831 86.347 125.485-115.355 + 126.987-116.630 159.339-176.069 + 93.128 121.503 113.283 -25.599 + 124.922 -82.660 108.312 -98.992 + 92.848 82.332 139.041-155.296 + 93.247 142.938 138.922 -89.729 + 111.992 -83.111 109.154 -82.782 + 95.968 56.164 0.000 0.000 + 135.332 -69.308 0.000 0.000 + 111.286 168.969 129.371-141.637 + 132.960-179.041 123.787 -81.363 + 115.726 178.572 120.618 -76.512 + 124.874 171.400 0.000 0.000 + 119.833 44.193 121.433-143.642 + 93.716 118.810 100.158-125.763 + 91.172 49.035 108.765-121.295 + 92.202 63.638 90.430 -99.895 + 93.356 0.000 109.571 -81.841 + # 181 total E -3.14474E+01 rmsd from N 0.000 %NC 0.00 + 116.434-144.876 151.828-148.583 + 120.763-176.676 168.081 -9.907 + 130.988 -89.907 164.967 13.441 + 93.461 77.782 133.079 -97.437 + 91.729 -96.228 96.268 -94.766 + 108.542-172.820 125.210 31.900 + 122.838 -79.932 176.414 -4.909 + 120.388-174.188 120.945-117.878 + 94.264 42.982 141.922-117.622 + 135.939 -69.199 0.000 0.000 + 125.222-141.502 0.000 0.000 + 114.897 174.102 132.506-145.017 + 124.681-179.999 148.286 -88.759 + 125.200-178.773 148.378 -48.473 + 124.631 171.272 0.000 0.000 + 129.959-102.920 137.842-153.967 + 123.052 134.108 117.341-121.220 + 123.777-172.136 117.028-117.773 + 110.663-118.563 98.819 -91.954 + 121.569 0.000 121.417 -80.514 + # 182 total E -3.11219E+01 rmsd from N 0.000 %NC 0.00 + 93.814 113.964 146.321 -24.560 + 117.793-178.626 150.470 -17.149 + 115.179 175.461 167.908-178.442 + 124.399 178.060 164.878 -82.900 + 92.100 -80.301 118.250-104.096 + 92.694 92.200 96.237 -81.548 + 92.559 77.286 135.431-107.369 + 126.772 -93.630 143.859-172.676 + 121.811-176.516 109.577 -79.963 + 136.203 -68.944 0.000 0.000 + 124.560 -36.490 0.000 0.000 + 114.939-178.800 127.226-136.206 + 124.383 179.745 121.200 -80.349 + 129.612 -65.511 120.723 -79.815 + 130.001 68.350 0.000 0.000 + 122.650 -99.068 107.688-119.890 + 117.644 39.627 122.993-132.635 + 93.170 116.455 104.488-114.059 + 92.605 131.661 104.878-116.586 + 118.482 0.000 130.316-140.821 + # 183 total E -3.08826E+01 rmsd from N 0.000 %NC 0.00 + 116.705-141.155 152.423-148.389 + 120.352 179.204 151.109 -18.991 + 117.490 169.037 168.550-178.810 + 119.626 177.747 145.431 -95.290 + 123.736 176.499 147.633-119.173 + 128.325-175.203 112.698-133.096 + 117.382-177.334 143.398 -74.990 + 122.586-177.172 126.836-138.695 + 122.282 179.979 154.302 -19.542 + 135.509 -75.536 0.000 0.000 + 121.477-167.768 0.000 0.000 + 96.451 -36.368 105.128-103.475 + 93.223 -45.762 113.159 -76.079 + 95.687 91.975 115.580 -76.626 + 131.551 -95.786 0.000 0.000 + 124.788-115.637 155.312 -41.179 + 93.794 54.124 104.671-147.758 + 93.899 130.562 105.414-116.326 + 118.034-120.580 125.782-135.328 + 121.811 0.000 121.602 -80.934 + # 184 total E -3.08180E+01 rmsd from N 0.000 %NC 0.00 + 116.728-147.597 153.001-148.598 + 123.668 -94.310 156.994-146.757 + 124.623-170.633 119.254 -72.406 + 114.430-178.912 131.887 -98.804 + 123.925 174.476 142.332-115.156 + 130.325 -76.443 108.621-131.267 + 111.194 113.011 174.809-157.390 + 119.979 -73.599 123.839-123.776 + 93.112 73.050 143.142-122.064 + 131.081 -8.826 0.000 0.000 + 94.330 47.402 0.000 0.000 + 104.181 174.078 122.600-135.121 + 93.423 100.951 114.522 -77.062 + 124.124-100.890 115.321 -80.063 + 130.192 -62.744 0.000 0.000 + 94.252 154.383 116.339 -28.091 + 121.097 141.962 118.389-125.425 + 126.244-172.764 112.591-109.492 + 117.790 143.077 126.816-135.079 + 119.819 0.000 119.748 -80.675 + # 185 total E -3.06609E+01 rmsd from N 0.000 %NC 0.00 + 93.777 92.081 149.019 -20.441 + 92.667 143.561 150.172-122.295 + 123.115 -69.268 129.518-125.158 + 107.624 -47.628 166.233-115.450 + 91.861 168.827 117.030 79.320 + 92.527 98.096 85.636-101.765 + 92.211 -54.686 146.365-136.524 + 93.120 89.977 129.246-125.328 + 94.233-164.224 141.058-122.228 + 128.342 -66.717 0.000 0.000 + 121.433 -35.164 0.000 0.000 + 113.040-178.867 129.072-140.405 + 125.413-178.766 121.448 -80.514 + 125.687-177.186 122.863 -78.406 + 121.736 170.960 0.000 0.000 + 120.922 45.758 124.305-141.846 + 93.228 127.362 100.243-127.356 + 121.779-172.587 118.694-123.140 + 116.160-113.045 131.392-142.209 + 94.635 0.000 116.408 -77.508 + # 186 total E -2.99889E+01 rmsd from N 0.000 %NC 0.00 + 93.771 32.881 144.821 -33.107 + 92.896 169.318 151.101-112.967 + 120.116 175.837 134.970-124.386 + 120.023-178.022 134.214 -64.947 + 92.055 -64.054 103.783-107.669 + 109.278-174.794 134.390 -37.472 + 122.080-176.957 145.758-158.478 + 122.716-177.953 148.018-102.895 + 121.806-179.678 107.697 -79.194 + 122.714 165.704 0.000 0.000 + 105.252 -19.240 0.000 0.000 + 94.787 -62.021 95.015 -98.711 + 92.408 78.656 135.883-107.320 + 130.786 -75.792 117.011 -77.513 + 126.711 -40.255 0.000 0.000 + 94.466 91.740 124.547-152.106 + 126.248-174.403 106.698-106.032 + 92.757 56.195 132.087-158.443 + 92.603 127.235 97.247 -95.232 + 120.856 0.000 112.688 -88.082 + # 187 total E -2.94995E+01 rmsd from N 0.000 %NC 0.00 + 93.697 35.303 110.987 -81.811 + 116.193-179.991 158.194-147.029 + 123.037 173.780 153.066 -3.025 + 118.266 175.868 160.290-122.495 + 123.308 175.777 160.279-114.420 + 127.846-176.221 113.837-140.587 + 116.831-178.114 149.891 -28.272 + 118.149 179.286 118.680-128.761 + 121.119 -67.039 158.466-157.713 + 126.299-168.164 0.000 0.000 + 132.988 -55.736 0.000 0.000 + 114.802 106.836 128.909-138.886 + 127.856-100.923 121.183 -80.048 + 125.452 -66.355 117.874 -79.167 + 124.519 -40.575 0.000 0.000 + 92.741 90.411 107.377 26.427 + 123.492-135.772 106.208-106.015 + 107.104 142.977 121.300-132.939 + 124.287 -27.755 113.586-113.292 + 119.430 0.000 120.050 -80.386 + # 188 total E -2.90249E+01 rmsd from N 0.000 %NC 0.00 + 118.151-160.450 107.844 -79.343 + 122.014-176.009 142.418 -1.151 + 121.700 -43.870 116.768 -98.240 + 129.119-160.704 123.866 -63.629 + 92.534-178.184 105.846-115.481 + 111.590 -60.822 131.718 -38.996 + 92.642 -36.885 147.876-174.426 + 94.059 99.389 134.332-133.194 + 126.255 14.660 149.684 -22.966 + 139.308 -24.764 0.000 0.000 + 140.212 -33.973 0.000 0.000 + 122.717 -77.531 117.555-118.801 + 137.234 -18.053 159.819 -79.858 + 122.708 139.048 147.956 -74.008 + 132.423 -61.042 0.000 0.000 + 92.617 85.804 108.972 28.319 + 119.415-169.372 106.006-105.522 + 124.092-171.801 113.230-112.307 + 93.973 17.941 100.741-111.591 + 120.466 0.000 122.199 -83.438 + # 189 total E -2.68726E+01 rmsd from N 0.000 %NC 0.00 + 117.456-116.003 153.629-160.585 + 117.709 161.869 143.277 -27.322 + 92.461 82.178 93.942 -80.528 + 94.965 11.191 167.957-154.879 + 92.959 -95.479 108.713 -32.522 + 120.892-171.306 123.988 -62.478 + 111.030 170.597 144.720 -41.595 + 92.861 88.070 124.951 -93.076 + 93.844 152.359 138.640-122.294 + 135.310 -74.018 0.000 0.000 + 129.933-131.822 0.000 0.000 + 119.001 174.745 125.010-130.566 + 125.587-179.781 120.988 -80.622 + 125.032-179.160 149.470 -66.031 + 126.561 172.594 0.000 0.000 + 116.571 76.150 128.690 -34.640 + 126.555-170.888 116.572-117.865 + 92.318 52.131 125.837-146.352 + 93.012 17.199 93.959 -96.001 + 117.949 0.000 118.913 -79.866 + # 190 total E -2.63878E+01 rmsd from N 0.000 %NC 0.00 + 93.730 95.255 109.534 -75.194 + 93.294 164.879 135.538 -21.616 + 93.432 74.556 91.098 -83.064 + 130.208 159.445 156.247 -55.477 + 91.580 61.600 128.575-148.851 + 119.196-109.448 137.110 22.507 + 93.792 145.613 144.121 122.756 + 108.683 179.533 119.321-126.166 + 128.048 173.894 164.120-167.125 + 133.913 -63.425 0.000 0.000 + 93.510 57.299 0.000 0.000 + 93.954 143.493 90.888 -57.181 + 117.468 165.256 146.838 -31.074 + 136.910 -70.854 123.046 -82.019 + 127.128 6.233 0.000 0.000 + 94.320 41.634 128.007-138.902 + 124.422 26.584 123.224-127.711 + 92.578 48.414 113.590-100.903 + 92.332 91.910 107.377-121.523 + 93.353 0.000 105.290 -84.218 + # 191 total E -2.58732E+01 rmsd from N 0.000 %NC 0.00 + 93.613 43.108 142.895-133.368 + 92.742 167.338 139.919 -56.895 + 117.310 163.159 142.307 39.900 + 92.771 71.421 120.267-125.734 + 92.174 108.086 129.149-154.587 + 109.988 -96.964 131.171-115.677 + 120.577 100.773 171.249-154.114 + 122.677-115.785 125.365-129.596 + 120.705 96.508 110.819 -79.961 + 135.128 8.227 0.000 0.000 + 135.072 -35.283 0.000 0.000 + 118.339-141.487 123.288-128.306 + 120.154-169.904 147.725-108.736 + 139.958 -56.310 124.062 -82.519 + 132.655 -6.688 0.000 0.000 + 126.732 -91.841 129.762 -46.768 + 124.224 25.830 119.716-123.402 + 93.411 52.100 104.523-115.161 + 124.465 -17.356 113.559-113.584 + 93.357 0.000 111.950 -75.286 + # 192 total E -2.54224E+01 rmsd from N 0.000 %NC 0.00 + 93.701 10.833 104.336 -81.505 + 92.795 156.195 127.236 -91.055 + 130.533 107.489 159.127 159.558 + 123.443 -94.168 141.181 -80.441 + 92.427 -20.762 130.131-143.988 + 123.050 87.798 162.371 158.550 + 93.131 165.329 161.272-162.561 + 120.757 -72.225 92.452 89.171 + 125.942 -59.170 155.642-156.849 + 131.971 -4.672 0.000 0.000 + 107.638 -32.112 0.000 0.000 + 103.628 168.179 130.458-147.678 + 118.282-178.033 121.420 -80.591 + 132.402-174.489 124.344 -80.228 + 117.954 172.718 0.000 0.000 + 123.156 46.962 127.971-139.755 + 93.198 126.703 100.138-127.729 + 121.552-172.343 120.631-124.590 + 113.013 144.482 132.305-144.555 + 120.040 0.000 118.703 -81.536 + # 193 total E -2.47448E+01 rmsd from N 0.000 %NC 0.00 + 118.775 -86.458 110.406 -77.888 + 121.348 -90.685 157.453 -13.201 + 136.129 -69.606 159.099 7.067 + 93.135 67.233 133.250 -92.386 + 91.730 91.138 85.389 -72.162 + 130.169-114.735 129.243 -58.613 + 118.747 119.884 166.266 -10.711 + 92.008 -23.969 145.251-105.780 + 91.271 -66.610 137.167-100.283 + 94.753 38.051 0.000 0.000 + 119.711 -72.662 0.000 0.000 + 90.769 -25.961 127.171-151.027 + 93.648 115.392 115.200 -76.303 + 116.294-104.702 136.799 -47.796 + 132.883 -81.206 0.000 0.000 + 93.110 36.280 151.568 127.197 + 115.279 55.227 122.750-132.872 + 127.478 145.678 105.603-103.092 + 113.224 150.436 137.006-155.253 + 93.746 0.000 116.456 -77.347 + # 194 total E -2.39301E+01 rmsd from N 0.000 %NC 0.00 + 112.051 -69.290 138.347-122.942 + 92.711 90.438 137.385 -47.459 + 141.580-103.432 101.337 -88.880 + 118.880-171.075 167.544-141.661 + 123.432-178.008 169.575-159.269 + 127.588 -81.441 138.390 -20.053 + 92.458 105.035 147.795 -97.333 + 122.138 -54.081 141.191 163.076 + 117.953 -37.960 150.911 -19.904 + 133.847 -47.683 0.000 0.000 + 136.308-132.103 0.000 0.000 + 119.962-142.849 114.102-114.681 + 105.722 168.701 138.157-124.202 + 134.632-172.755 121.208 -79.626 + 112.396 166.771 0.000 0.000 + 117.855 47.079 127.503-131.602 + 93.536 127.730 95.309-131.005 + 121.121-173.556 118.937-123.704 + 115.001 136.873 132.238-144.293 + 93.614 0.000 115.137 -77.376 + # 195 total E -2.13732E+01 rmsd from N 0.000 %NC 0.00 + 116.651-141.964 152.349-147.446 + 122.776-178.573 162.160-149.338 + 124.387 168.457 166.443 165.790 + 94.501 85.542 167.885-128.743 + 124.016-103.281 116.172 -68.501 + 120.503-179.820 176.448 151.422 + 117.931-179.160 162.618-160.319 + 126.160-176.813 152.285-173.574 + 121.648-178.049 149.881 -18.364 + 126.144 172.051 0.000 0.000 + 134.449 -58.059 0.000 0.000 + 116.209 172.508 126.842-134.879 + 93.960 97.286 114.714 -76.916 + 120.004 147.213 119.199 -80.342 + 134.102-100.764 0.000 0.000 + 123.176 26.290 136.622 -83.244 + 94.115 124.417 101.129-126.079 + 126.753-112.956 112.040-109.783 + 114.777 114.693 128.394-138.580 + 93.520 0.000 130.164-116.793 + # 196 total E -2.06615E+01 rmsd from N 0.000 %NC 0.00 + 119.876-128.750 106.643 -75.188 + 91.766 74.648 146.260 -48.875 + 93.155 118.656 162.168 19.023 + 90.577 155.973 139.188 -91.876 + 92.043 89.761 124.435-105.675 + 115.348 -55.042 139.100 7.506 + 93.855-178.239 144.361 -87.227 + 133.806-178.331 119.541-123.681 + 115.490-178.480 110.833 -76.308 + 125.954 172.052 0.000 0.000 + 134.142 -60.609 0.000 0.000 + 116.951 -85.347 124.275-130.640 + 114.962 84.307 119.076 -79.037 + 123.829-179.521 123.340 -77.331 + 115.895 74.899 0.000 0.000 + 121.233 -92.621 137.076 144.213 + 116.709 46.419 122.190-132.538 + 93.292 126.434 104.766-112.976 + 119.092-105.453 122.946-129.403 + 94.538 0.000 115.895 -77.569 + # 197 total E -2.06140E+01 rmsd from N 0.000 %NC 0.00 + 115.869 163.364 145.015 -18.663 + 92.035 73.186 143.202 -39.348 + 121.923-174.722 168.647 165.221 + 119.387 163.729 161.013-113.671 + 92.951 87.026 121.000 -96.407 + 123.166 -71.536 112.051-126.888 + 92.705 100.560 158.614-146.977 + 128.759 -92.512 135.821-128.692 + 120.103 -74.657 157.907-136.799 + 96.446 57.683 0.000 0.000 + 130.243 -79.958 0.000 0.000 + 110.368 113.942 133.931-151.445 + 134.907-109.255 120.043 -82.807 + 128.652 -78.080 116.396 -81.257 + 129.147 -74.143 0.000 0.000 + 93.024 36.286 117.622 30.188 + 116.589 51.990 120.947-130.272 + 93.862 126.642 96.331-106.192 + 93.357 5.108 102.963-116.003 + 118.522 0.000 119.336 -80.429 + # 198 total E -1.76808E+01 rmsd from N 0.000 %NC 0.00 + 115.986 175.323 146.326 -25.810 + 126.884 140.273 176.429-164.365 + 129.436-104.794 130.474-123.658 + 92.994 103.665 152.072 -91.520 + 92.130 -52.332 114.070 -92.028 + 93.525 96.877 81.573-105.966 + 116.586 108.393 144.002-111.545 + 91.898 -47.610 150.456 140.919 + 92.115 -34.675 110.236 -82.012 + 116.111 4.340 0.000 0.000 + 116.690-162.693 0.000 0.000 + 123.358 175.684 121.811-128.286 + 121.174-179.792 119.902 -80.189 + 124.566-179.166 144.058-109.098 + 125.996 170.553 0.000 0.000 + 116.195 36.969 122.839 -90.759 + 119.023 47.953 122.247-131.934 + 93.126 126.117 104.761-113.955 + 118.012 159.461 125.927-136.560 + 120.439 0.000 120.253 -80.744 + # 199 total E -1.24592E+01 rmsd from N 0.000 %NC 0.00 + 93.569 101.626 142.550-130.038 + 120.473-179.407 160.981-150.792 + 130.161 179.361 169.119 153.426 + 119.145-173.727 169.019-134.233 + 130.954-163.117 155.191 103.253 + 123.928 -96.297 139.639 -10.297 + 93.569 102.893 144.932 -45.075 + 129.160-100.258 148.665 161.228 + 125.379-171.286 151.377 -14.303 + 134.636 -69.418 0.000 0.000 + 137.945 -38.250 0.000 0.000 + 103.223 -34.738 92.681 -86.754 + 91.356 101.429 111.506 -72.981 + 93.840 32.231 110.631 -78.989 + 96.164 46.355 0.000 0.000 + 116.488 13.118 120.669-146.861 + 94.558 33.125 101.421-124.209 + 117.413 49.700 109.115-112.964 + 103.465-108.935 128.964-148.498 + 122.271 0.000 118.947 -83.390 + # 200 total E 3.19956E+01 rmsd from N 0.000 %NC 0.00 + 124.750 111.605 159.530 -7.327 + 126.208-107.708 135.441-138.991 + 147.376 -30.773 148.712-148.055 + 114.893 133.267 137.860 -81.465 + 110.505 4.873 147.030 139.836 + 135.016 -72.986 138.910-114.208 + 133.198 -47.722 150.438-106.892 + 140.754 31.072 159.894 8.552 + 124.780 151.947 154.400 8.315 + 96.671 -36.967 0.000 0.000 + 120.369 -66.204 0.000 0.000 + 130.572 -31.410 153.183 156.167 + 108.641 -91.210 147.808-126.569 + 133.266 161.518 144.937 -39.368 + 95.802 139.229 0.000 0.000 + 149.145-163.890 120.396 -78.163 + 113.202 173.231 122.720-131.706 + 88.961 119.814 103.362-110.884 + 96.843 -4.282 101.069 -94.969 + 91.912 0.000 109.516 -63.135 diff --git a/examples/unres/CSA/GAB/CSA/global/unrestrained/1l2y_csa.CSA.seed b/examples/unres/CSA/GAB/CSA/global/unrestrained/1l2y_csa.CSA.seed new file mode 100644 index 0000000..2f05bf8 --- /dev/null +++ b/examples/unres/CSA/GAB/CSA/global/unrestrained/1l2y_csa.CSA.seed @@ -0,0 +1,5 @@ + 1 2 40169 17 -85.951 157 -86.959 21 -85.937 24 -90.761 40 -90.338 + 139 -88.359 107 -89.285 161 -89.075 36 -88.216 1 -88.115 + 196 -88.871 200 -88.060 153 -88.055 184 -90.194 163 -87.894 + 79 -89.606 122 -88.104 124 -88.393 59 -88.270 183 -87.603 + diff --git a/examples/unres/CSA/GAB/CSA/global/unrestrained/1l2y_csa.inp b/examples/unres/CSA/GAB/CSA/global/unrestrained/1l2y_csa.inp new file mode 100644 index 0000000..7b2a812 --- /dev/null +++ b/examples/unres/CSA/GAB/CSA/global/unrestrained/1l2y_csa.inp @@ -0,0 +1,17 @@ +1l2y +SEED=-3059743 CSA MINIMIZE RESCALE_MODE=0 OVERLAP NOSEARCHSC +MAXMIN=3000 MAXFUN=1000 +NCONF=200 NSTMAX=300000 N1=5 N2=5 N6=10 N3=0 N4=0 N8=0 IS1=1 IS2=25 NSEED=20 & +NTOTAL=10000 CUT1=2.0 CUT2=5.0 ESTOP=-900000.0 IRESTART=0 NCONF_IN=0 & +DELE=30.0 DIFCUT=720.0 IREF=0 RMSCUT=4.0 IZ_SC=1 PNCCUT=0.6 & +ICMAX=1 IUCUT=2 NBANKM=200 +WLONG=1.35279 WSCP=1.59304 WELEC=0.71534 WBOND=1.00000 WANG=1.13873 & +WSCLOC=0.16258 WTOR=1.98599 WTORD=1.57069 WCORRH=0.42887 WCORR5=0.00000 & +WCORR6=0.00000 WEL_LOC=0.16036 WTURN3=1.68722 WTURN4=0.66230 WTURN6=0.00000 & +WVDWPP=0.11371 WHPB=1.00000 WSCCOR=0.00000 & +CUTOFF=7.00000 WCORR4=0.00000 +22 + D ASN LEU TYR ILE GLN TRP LEU LYS ASP GLY GLY PRO SER SER GLY ARG PRO PRO PRO + SER D +0 +0 diff --git a/examples/unres/CSA/GAB/CSA/global/unrestrained/1l2y_csa.intin b/examples/unres/CSA/GAB/CSA/global/unrestrained/1l2y_csa.intin new file mode 100644 index 0000000..e69de29 diff --git a/examples/unres/CSA/GAB/CSA/global/unrestrained/1l2y_csa.out_GB000 b/examples/unres/CSA/GAB/CSA/global/unrestrained/1l2y_csa.out_GB000 new file mode 100644 index 0000000..2c1405a --- /dev/null +++ b/examples/unres/CSA/GAB/CSA/global/unrestrained/1l2y_csa.out_GB000 @@ -0,0 +1,53239 @@ +-------------------------------------------------------------------------------- + FILE ASSIGNMENT +-------------------------------------------------------------------------------- + Input file : 1l2y_csa.inp + Output file : 1l2y_csa.out_GB000 + + Sidechain potential file : + /users/bartek/UNRESPACK/unres/PARAM/sc_GB_opt.1gab_3S_qclass5no310-shan2-sc-16- + 10-8k + SCp potential file : /users/bartek/UNRESPACK/unres/PARAM/scp.parm + Electrostatic potential file : + /users/bartek/UNRESPACK/unres/PARAM/electr_631Gdp.parm + Cumulant coefficient file : + /users/bartek/UNRESPACK/unres/PARAM/fourier_opt.parm.1igd_hc_iter3_3 + Torsional parameter file : + /users/bartek/UNRESPACK/unres/PARAM/torsion_631Gdp.parm + Double torsional parameter file : + /users/bartek/UNRESPACK/unres/PARAM/torsion_double_631Gdp.parm + SCCOR parameter file : /users/bartek/UNRESPACK/unres/PARAM/rotcorr_AM1.parm + Bond & inertia constant file : /users/bartek/UNRESPACK/unres/PARAM/bond.parm + Bending parameter file : + /users/bartek/UNRESPACK/unres/PARAM/thetaml.5parm + Rotamer parameter file : + /users/bartek/UNRESPACK/unres/PARAM/scgauss.parm + Threading database : + /users/bartek/UNRESPACK/unres/PARAM/patterns.cart +-------------------------------------------------------------------------------- +******************************************************************************** +United-residue force field calculation - parallel job. +******************************************************************************** + ### LAST MODIFIED 11/03/09 1:19PM by czarek + ++++ Compile info ++++ + Version CSA and DFA only + +Potential is GB , exponents are 6 12 + +Disulfide bridge parameters: +S-S bridge energy: -5.50 +d0cm: 3.78 akcm: 15.10 +akth: 11.00 akct: 12.00 +v1ss: -1.08 v2ss: 7.61 v3ss: 13.70 + MPI: node= 0 iseed= -3059742 + ran_num 0.273754117333397 +RMSDBC = 3.0 +RMSDBC1 = 0.5 +RMSDBC1MAX = 1.5 +DRMS = 0.1 +RMSDBCM = 3.0 +Time limit (min): 960.0 + RESCALE_MODE 0 +Library routine used to diagonalize matrices. + +******************************************************************************** + Options in energy minimization: +******************************************************************************** +MaxMin: 3000 MaxFun: 1000MinMin: 3000 MinFun: 3000 TolF: 1.00000E-02 RTolF: 1.00000E-04 + NCONF_IN 0 + +Energy-term weights (unscaled): + +WSCC= 1.352790 (SC-SC) +WSCP= 1.593040 (SC-p) +WELEC= 0.715340 (p-p electr) +WVDWPP= 0.113710 (p-p VDW) +WBOND= 1.000000 (stretching) +WANG= 1.138730 (bending) +WSCLOC= 0.162580 (SC local) +WTOR= 1.985990 (torsional) +WTORD= 1.570690 (double torsional) +WSTRAIN= 1.000000 (SS bridges & dist. cnstr.) +WEL_LOC= 0.160360 (multi-body 3-rd order) +WCORR4= 0.428870 (multi-body 4th order) +WCORR5= 0.000000 (multi-body 5th order) +WCORR6= 0.000000 (multi-body 6th order) +WSCCOR= 0.000000 (back-scloc correlation) +WTURN3= 1.687220 (turns, 3rd order) +WTURN4= 0.662300 (turns, 4th order) +WTURN6= 0.000000 (turns, 6th order) +WDFA_D= 0.000000 (DFA, distance) +WDFA_T= 0.000000 (DFA, torsional) +WDFA_N= 0.000000 (DFA, number of neighbor) +WDFA_B= 0.000000 (DFA, beta formation) + +Hydrogen-bonding correlation between contact pairs of peptide groups + +Scaling factor of 1,4 SC-p interactions: 0.400 +General scaling factor of SC-p interactions: 1.000 + +Energy-term weights (scaled): + +WSCC= 1.352790 (SC-SC) +WSCP= 1.593040 (SC-p) +WELEC= 0.715340 (p-p electr) +WVDWPP= 0.113710 (p-p VDW) +WBOND= 1.000000 (stretching) +WANG= 1.138730 (bending) +WSCLOC= 0.162580 (SC local) +WTOR= 1.985990 (torsional) +WTORD= 1.570690 (double torsional) +WSTRAIN= 1.000000 (SS bridges & dist. cnstr.) +WEL_LOC= 0.160360 (multi-body 3-rd order) +WCORR4= 0.428870 (multi-body 4th order) +WCORR5= 0.000000 (multi-body 5th order) +WCORR6= 0.000000 (multi-body 6th order) +WSCCOR= 0.000000 (back-scloc correlatkion) +WTURN3= 1.687220 (turns, 3rd order) +WTURN4= 0.662300 (turns, 4th order) +WTURN6= 0.000000 (turns, 6th order) +WDFA_D= 0.000000 (DFA, distance) +WDFA_T= 0.000000 (DFA, torsional) +WDFA_N= 0.000000 (DFA, number of neighbor) +WDFA_B= 0.000000 (DFA, beta formation) + Reference temperature for weights calculation: 300.000000000000 + Parameters of the SS-bond potential: + D0CM 3.78000000000000 AKCM 15.1000000000000 AKTH + 11.0000000000000 AKCT 12.0000000000000 + V1SS -1.08000000000000 V2SS 7.61000000000000 V3SS + 13.7000000000000 + EBR -5.50000000000000 + ITEL + 1 21 0 + 2 14 1 + 3 5 1 + 4 8 1 + 5 4 1 + 6 13 1 + 7 7 1 + 8 5 1 + 9 19 1 + 10 16 1 + 11 10 1 + 12 10 2 + 13 20 1 + 14 12 1 + 15 12 1 + 16 10 1 + 17 18 2 + 18 20 2 + 19 20 2 + 20 20 1 + 21 12 0 + ns= 0 iss: +Boundaries in phi angle sampling: +D 1 -180.0 180.0 +ASN 2 -180.0 180.0 +LEU 3 -180.0 180.0 +TYR 4 -180.0 180.0 +ILE 5 -180.0 180.0 +GLN 6 -180.0 180.0 +TRP 7 -180.0 180.0 +LEU 8 -180.0 180.0 +LYS 9 -180.0 180.0 +ASP 10 -180.0 180.0 +GLY 11 -180.0 180.0 +GLY 12 -180.0 180.0 +PRO 13 -180.0 180.0 +SER 14 -180.0 180.0 +SER 15 -180.0 180.0 +GLY 16 -180.0 180.0 +ARG 17 -180.0 180.0 +PRO 18 -180.0 180.0 +PRO 19 -180.0 180.0 +PRO 20 -180.0 180.0 +SER 21 -180.0 180.0 +D 22 -180.0 180.0 + NZ_START= 2 NZ_END= 21 + IZ_SC= 0 + +Geometry of the virtual chain. + Res d Theta Gamma Dsc Alpha Beta +D 1 0.000 0.000 0.000 0.000 0.000 0.000 +ASN 2 3.800 0.000 0.000 1.684 0.000 0.000 +LEU 3 3.800 0.000 0.000 1.939 0.000 0.000 +TYR 4 3.800 0.000 0.000 2.484 0.000 0.000 +ILE 5 3.800 0.000 0.000 1.776 0.000 0.000 +GLN 6 3.800 0.000 0.000 2.240 0.000 0.000 +TRP 7 3.800 0.000 0.000 2.605 0.000 0.000 +LEU 8 3.800 0.000 0.000 1.939 0.000 0.000 +LYS 9 3.800 0.000 0.000 2.541 0.000 0.000 +ASP 10 3.800 0.000 0.000 1.709 0.000 0.000 +GLY 11 3.800 0.000 0.000 0.000 0.000 0.000 +GLY 12 3.800 0.000 0.000 0.000 0.000 0.000 +PRO 13 3.800 0.000 0.000 1.345 0.000 0.000 +SER 14 3.800 0.000 0.000 1.150 0.000 0.000 +SER 15 3.800 0.000 0.000 1.150 0.000 0.000 +GLY 16 3.800 0.000 0.000 0.000 0.000 0.000 +ARG 17 3.800 0.000 0.000 3.020 0.000 0.000 +PRO 18 3.800 0.000 0.000 1.345 0.000 0.000 +PRO 19 3.800 0.000 0.000 1.345 0.000 0.000 +PRO 20 3.800 0.000 0.000 1.345 0.000 0.000 +SER 21 3.800 0.000 0.000 1.150 0.000 0.000 +D 22 3.800 0.000 0.000 0.000 0.000 0.000 + + +******************************************************************************** + Processor 0: end reading molecular data. +******************************************************************************** + + +CSA calculations calculation. + +Conformations will be energy-minimized. +******************************************************************************** + + + # of groups: 37 + 1 2 1 2 1 2 2 1 + 2 2 1 3 1 2 3 1 + 3 2 1 4 1 2 4 1 + 4 2 1 5 1 2 5 1 + 5 2 1 6 1 2 6 1 + 6 2 1 7 1 2 7 1 + 7 2 1 8 1 2 8 1 + 8 2 1 9 1 2 9 1 + 9 2 1 10 1 2 10 1 + 10 2 1 11 1 2 11 1 + 11 2 1 12 1 2 12 1 + 12 2 1 13 1 2 13 1 + 13 2 1 14 1 2 14 1 + 14 2 1 15 1 2 15 1 + 15 2 1 16 1 2 16 1 + 16 2 1 17 1 2 17 1 + 17 2 1 18 1 2 18 1 + 18 2 1 19 1 2 19 1 + 19 2 1 20 1 2 20 1 + 20 1 1 21 1 + 21 2 3 2 1 4 2 1 + 22 2 3 3 1 4 3 1 + 23 2 3 4 1 4 4 1 + 24 2 3 5 1 4 5 1 + 25 2 3 6 1 4 6 1 + 26 2 3 7 1 4 7 1 + 27 2 3 8 1 4 8 1 + 28 2 3 9 1 4 9 1 + 29 2 3 10 1 4 10 1 + 30 2 3 13 1 4 13 1 + 31 2 3 14 1 4 14 1 + 32 2 3 15 1 4 15 1 + 33 2 3 17 1 4 17 1 + 34 2 3 18 1 4 18 1 + 35 2 3 19 1 4 19 1 + 36 2 3 20 1 4 20 1 + 37 2 3 21 1 4 21 1 + NCONF_IN 0 + +Geometry of the virtual chain. + Res d Theta Gamma Dsc Alpha Beta +D 1 0.000 0.000 0.000 0.000 0.000 0.000 +ASN 2 3.800 0.000 0.000 1.684 117.433 -123.282 +LEU 3 3.800 103.337 0.000 1.939 149.062 -30.326 +TYR 4 3.800 104.310 100.718 2.484 89.790 -93.973 +ILE 5 3.800 128.994 -150.632 1.776 162.587 -113.210 +GLN 6 3.800 101.352 48.740 2.240 155.687 -104.256 +TRP 7 3.800 108.638 26.197 2.605 147.340 -0.192 +LEU 8 3.800 104.006 -177.705 1.939 156.206 -174.850 +LYS 9 3.800 110.738 1.982 2.541 157.874 -47.662 +ASP 10 3.800 112.963 -7.938 1.709 136.263 -116.568 +GLY 11 3.800 92.682 -61.044 0.000 0.000 0.000 +GLY 12 3.800 103.182 43.162 0.000 0.000 0.000 +PRO 13 3.800 126.717 -144.405 1.345 129.642 -137.771 +SER 14 3.800 115.615 118.963 1.150 144.293 -124.319 +SER 15 3.800 130.363 92.480 1.150 139.438 -83.956 +GLY 16 3.800 101.587 -126.499 0.000 0.000 0.000 +ARG 17 3.800 133.991 102.140 3.020 142.819 140.010 +PRO 18 3.800 109.489 -111.656 1.345 125.885 -134.113 +PRO 19 3.800 118.517 156.441 1.345 115.783 -111.273 +PRO 20 3.800 109.599 18.756 1.345 126.917 -138.286 +SER 21 3.800 124.060 58.459 1.150 99.360 -65.762 +D 22 3.800 126.104 -132.946 0.000 0.000 0.000 + +Geometry of the virtual chain. + Res d Theta Gamma Dsc Alpha Beta +D 1 0.000 0.000 0.000 0.000 0.000 0.000 +ASN 2 3.800 0.000 0.000 1.684 137.510 -123.647 +LEU 3 3.800 108.071 0.000 1.939 152.762 -96.123 +TYR 4 3.800 115.431 -46.516 2.484 144.989 164.807 +ILE 5 3.800 88.516 175.380 1.776 160.644 -29.267 +GLN 6 3.800 110.698 -169.605 2.240 144.149 -149.010 +TRP 7 3.800 87.343 11.223 2.605 116.992 -17.342 +LEU 8 3.800 84.623 -164.047 1.939 144.685 -91.998 +LYS 9 3.800 89.826 -40.284 2.541 163.191 6.240 +ASP 10 3.800 107.634 -14.624 1.709 146.931 -31.622 +GLY 11 3.800 122.184 -70.921 0.000 0.000 0.000 +GLY 12 3.800 121.030 162.260 0.000 0.000 0.000 +PRO 13 3.800 111.604 168.595 1.345 117.596 -148.275 +SER 14 3.800 138.202 37.849 1.150 154.490 -99.569 +SER 15 3.800 91.109 -110.431 1.150 105.695 -59.302 +GLY 16 3.800 108.217 -144.951 0.000 0.000 0.000 +ARG 17 3.800 126.393 -89.505 3.020 111.637 -66.449 +PRO 18 3.800 113.731 56.993 1.345 91.226 -109.537 +PRO 19 3.800 75.862 146.257 1.345 135.818 -179.553 +PRO 20 3.800 150.179 148.400 1.345 160.361 29.891 +SER 21 3.800 171.000 -98.561 1.150 102.353 -66.651 +D 22 3.800 104.628 -102.798 0.000 0.000 0.000 + +Geometry of the virtual chain. + Res d Theta Gamma Dsc Alpha Beta +D 1 0.000 0.000 0.000 0.000 0.000 0.000 +ASN 2 3.800 0.000 0.000 1.684 139.604 -145.597 +LEU 3 3.800 95.805 0.000 1.939 137.842 -94.300 +TYR 4 3.800 98.678 130.714 2.484 138.133 -147.962 +ILE 5 3.800 99.041 83.603 1.776 144.832 -84.057 +GLN 6 3.800 86.077 66.293 2.240 135.951 -34.256 +TRP 7 3.800 108.579 168.676 2.605 140.414 -123.169 +LEU 8 3.800 140.162 69.727 1.939 148.382 -49.309 +LYS 9 3.800 111.771 -64.105 2.541 150.011 -120.161 +ASP 10 3.800 124.978 55.443 1.709 133.587 -77.722 +GLY 11 3.800 103.439 -17.352 0.000 0.000 0.000 +GLY 12 3.800 133.461 153.155 0.000 0.000 0.000 +PRO 13 3.800 107.951 -146.680 1.345 101.340 -119.561 +SER 14 3.800 106.580 158.319 1.150 158.671 -68.662 +SER 15 3.800 92.444 -8.183 1.150 101.428 -69.974 +GLY 16 3.800 121.329 89.138 0.000 0.000 0.000 +ARG 17 3.800 88.790 73.069 3.020 133.687 -29.669 +PRO 18 3.800 119.333 147.380 1.345 119.990 -122.746 +PRO 19 3.800 112.065 38.581 1.345 136.168 -144.826 +PRO 20 3.800 124.189 -92.346 1.345 134.224 -172.489 +SER 21 3.800 144.189 72.717 1.150 144.988 -3.390 +D 22 3.800 125.114 -161.295 0.000 0.000 0.000 + +Geometry of the virtual chain. + Res d Theta Gamma Dsc Alpha Beta +D 1 0.000 0.000 0.000 0.000 0.000 0.000 +ASN 2 3.800 0.000 0.000 1.684 144.547 -29.478 +LEU 3 3.800 113.219 0.000 1.939 145.708 -124.916 +TYR 4 3.800 119.863 -102.593 2.484 150.662 -9.914 +ILE 5 3.800 115.283 -150.296 1.776 159.795 -53.583 +GLN 6 3.800 120.109 -115.070 2.240 151.022 135.685 +TRP 7 3.800 122.216 103.813 2.605 143.112 6.044 +LEU 8 3.800 136.277 61.972 1.939 136.588 -117.466 +LYS 9 3.800 114.084 116.013 2.541 126.904 11.276 +ASP 10 3.800 103.386 24.626 1.709 147.446 4.570 +GLY 11 3.800 116.761 -157.267 0.000 0.000 0.000 +GLY 12 3.800 99.186 176.424 0.000 0.000 0.000 +PRO 13 3.800 117.258 172.836 1.345 124.494 -179.021 +SER 14 3.800 154.983 -85.900 1.150 146.670 -64.904 +SER 15 3.800 101.836 -108.725 1.150 159.348 -122.179 +GLY 16 3.800 110.413 55.028 0.000 0.000 0.000 +ARG 17 3.800 133.484 107.391 3.020 117.589 -83.703 +PRO 18 3.800 135.704 -27.978 1.345 136.676 162.534 +PRO 19 3.800 157.607 -124.125 1.345 100.010 -111.138 +PRO 20 3.800 96.934 94.241 1.345 115.698 -88.687 +SER 21 3.800 61.390 153.441 1.150 85.873 -41.147 +D 22 3.800 164.100 175.557 0.000 0.000 0.000 + +Geometry of the virtual chain. + Res d Theta Gamma Dsc Alpha Beta +D 1 0.000 0.000 0.000 0.000 0.000 0.000 +ASN 2 3.800 0.000 0.000 1.684 142.619 -52.855 +LEU 3 3.800 120.082 0.000 1.939 147.031 -114.679 +TYR 4 3.800 114.596 154.545 2.484 108.992 -99.593 +ILE 5 3.800 117.296 132.516 1.776 149.563 -68.567 +GLN 6 3.800 100.254 162.711 2.240 143.303 -130.665 +TRP 7 3.800 93.254 -79.265 2.605 145.074 -17.980 +LEU 8 3.800 116.499 119.900 1.939 155.433 -0.988 +LYS 9 3.800 92.587 93.788 2.541 131.837 -150.446 +ASP 10 3.800 121.411 -24.683 1.709 142.236 -90.961 +GLY 11 3.800 93.702 -110.445 0.000 0.000 0.000 +GLY 12 3.800 107.454 177.782 0.000 0.000 0.000 +PRO 13 3.800 119.998 -138.259 1.345 90.170 -107.542 +SER 14 3.800 93.381 141.731 1.150 96.786 -61.327 +SER 15 3.800 127.442 101.782 1.150 127.477 -33.668 +GLY 16 3.800 103.473 94.546 0.000 0.000 0.000 +ARG 17 3.800 146.090 -78.510 3.020 160.170 102.366 +PRO 18 3.800 96.817 157.989 1.345 124.569 -131.230 +PRO 19 3.800 122.606 -84.679 1.345 91.736 -102.556 +PRO 20 3.800 74.107 -48.919 1.345 124.622 -135.025 +SER 21 3.800 128.745 83.662 1.150 118.854 -83.500 +D 22 3.800 84.436 -177.200 0.000 0.000 0.000 + +Geometry of the virtual chain. + Res d Theta Gamma Dsc Alpha Beta +D 1 0.000 0.000 0.000 0.000 0.000 0.000 +ASN 2 3.800 0.000 0.000 1.684 158.906 -33.138 +LEU 3 3.800 139.221 0.000 1.939 140.089 -127.980 +TYR 4 3.800 120.055 71.839 2.484 113.424 -95.129 +ILE 5 3.800 135.416 -41.521 1.776 158.861 -84.081 +GLN 6 3.800 123.392 30.666 2.240 125.294 -115.361 +TRP 7 3.800 93.489 -111.786 2.605 87.443 -63.870 +LEU 8 3.800 158.282 28.377 1.939 108.213 -56.783 +LYS 9 3.800 162.592 89.791 2.541 165.942 -121.935 +ASP 10 3.800 118.426 -129.517 1.709 151.563 -29.127 +GLY 11 3.800 97.877 -114.379 0.000 0.000 0.000 +GLY 12 3.800 127.444 -143.283 0.000 0.000 0.000 +PRO 13 3.800 162.668 -1.418 1.345 122.701 -135.777 +SER 14 3.800 134.928 140.192 1.150 114.131 -84.318 +SER 15 3.800 147.089 107.596 1.150 93.191 -57.903 +GLY 16 3.800 109.183 -64.379 0.000 0.000 0.000 +ARG 17 3.800 112.154 -84.992 3.020 136.681 -167.906 +PRO 18 3.800 123.187 -69.196 1.345 117.727 -117.137 +PRO 19 3.800 111.737 -107.382 1.345 100.121 -107.391 +PRO 20 3.800 82.919 -151.455 1.345 100.341 -107.323 +SER 21 3.800 88.048 -163.634 1.150 142.369 -94.176 +D 22 3.800 124.982 -175.724 0.000 0.000 0.000 + +Geometry of the virtual chain. + Res d Theta Gamma Dsc Alpha Beta +D 1 0.000 0.000 0.000 0.000 0.000 0.000 +ASN 2 3.800 0.000 0.000 1.684 141.755 -132.651 +LEU 3 3.800 100.278 0.000 1.939 155.897 -151.895 +TYR 4 3.800 118.230 139.462 2.484 126.989 -134.322 +ILE 5 3.800 120.006 41.806 1.776 151.126 -81.454 +GLN 6 3.800 165.653 -21.665 2.240 149.070 -170.100 +TRP 7 3.800 108.382 -81.311 2.605 133.631 -146.662 +LEU 8 3.800 115.416 -93.068 1.939 154.829 -112.833 +LYS 9 3.800 109.954 -169.842 2.541 165.547 -161.260 +ASP 10 3.800 119.832 -24.449 1.709 151.939 -153.478 +GLY 11 3.800 90.386 46.146 0.000 0.000 0.000 +GLY 12 3.800 109.386 118.543 0.000 0.000 0.000 +PRO 13 3.800 152.658 -63.956 1.345 120.123 -120.928 +SER 14 3.800 110.781 72.926 1.150 144.228 -29.273 +SER 15 3.800 96.289 141.380 1.150 83.241 -57.156 +GLY 16 3.800 145.783 -70.444 0.000 0.000 0.000 +ARG 17 3.800 130.450 -170.674 3.020 145.363 -66.883 +PRO 18 3.800 114.043 55.611 1.345 113.937 -116.517 +PRO 19 3.800 113.674 -64.919 1.345 118.222 -117.024 +PRO 20 3.800 109.688 -81.003 1.345 132.547 -170.279 +SER 21 3.800 147.660 -84.504 1.150 134.132 -97.715 +D 22 3.800 106.202 -15.162 0.000 0.000 0.000 + +Geometry of the virtual chain. + Res d Theta Gamma Dsc Alpha Beta +D 1 0.000 0.000 0.000 0.000 0.000 0.000 +ASN 2 3.800 0.000 0.000 1.684 148.139 -174.595 +LEU 3 3.800 103.110 0.000 1.939 173.893 -127.574 +TYR 4 3.800 90.438 -128.580 2.484 102.930 -85.758 +ILE 5 3.800 154.431 -131.553 1.776 146.623 -84.059 +GLN 6 3.800 83.669 128.046 2.240 148.789 -100.154 +TRP 7 3.800 91.557 -76.999 2.605 168.959 161.993 +LEU 8 3.800 134.961 -46.284 1.939 137.817 -166.594 +LYS 9 3.800 134.813 -133.386 2.541 173.012 128.188 +ASP 10 3.800 97.959 64.841 1.709 160.251 -93.608 +GLY 11 3.800 77.659 134.749 0.000 0.000 0.000 +GLY 12 3.800 130.861 167.349 0.000 0.000 0.000 +PRO 13 3.800 118.325 46.663 1.345 103.344 -117.008 +SER 14 3.800 95.979 175.931 1.150 153.550 -140.409 +SER 15 3.800 122.376 74.730 1.150 138.978 -45.029 +GLY 16 3.800 100.912 139.021 0.000 0.000 0.000 +ARG 17 3.800 169.119 160.868 3.020 141.653 -136.665 +PRO 18 3.800 95.994 -25.744 1.345 111.451 -113.790 +PRO 19 3.800 113.824 -164.513 1.345 124.777 -142.632 +PRO 20 3.800 135.426 30.903 1.345 89.827 -89.845 +SER 21 3.800 58.655 -111.136 1.150 88.625 -65.472 +D 22 3.800 146.456 -24.817 0.000 0.000 0.000 + +Geometry of the virtual chain. + Res d Theta Gamma Dsc Alpha Beta +D 1 0.000 0.000 0.000 0.000 0.000 0.000 +ASN 2 3.800 0.000 0.000 1.684 135.167 -117.428 +LEU 3 3.800 101.724 0.000 1.939 144.783 -28.572 +TYR 4 3.800 97.625 -67.263 2.484 138.958 163.728 +ILE 5 3.800 117.151 172.681 1.776 162.895 -71.116 +GLN 6 3.800 114.033 74.948 2.240 159.743 -108.964 +TRP 7 3.800 146.342 -156.292 2.605 91.466 -101.227 +LEU 8 3.800 160.141 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157.168 37.771 +LEU 8 3.800 112.264 122.534 1.939 136.121 -56.418 +LYS 9 3.800 130.490 -28.543 2.541 176.008 -150.741 +ASP 10 3.800 117.098 -37.027 1.709 135.137 -76.005 +GLY 11 3.800 95.900 10.361 0.000 0.000 0.000 +GLY 12 3.800 123.159 -162.804 0.000 0.000 0.000 +PRO 13 3.800 123.785 -33.713 1.345 113.020 -118.912 +SER 14 3.800 115.860 -18.883 1.150 96.788 -63.140 +SER 15 3.800 138.447 -45.488 1.150 133.336 -51.937 +GLY 16 3.800 129.875 -15.636 0.000 0.000 0.000 +ARG 17 3.800 123.056 96.795 3.020 151.172 -107.854 +PRO 18 3.800 105.429 129.901 1.345 108.287 -108.944 +PRO 19 3.800 96.150 -134.976 1.345 142.329 151.925 +PRO 20 3.800 158.703 -33.829 1.345 114.596 -117.631 +SER 21 3.800 114.526 -167.780 1.150 62.493 -51.174 +D 22 3.800 162.404 100.870 0.000 0.000 0.000 + +Geometry of the virtual chain. + Res d Theta Gamma Dsc Alpha Beta +D 1 0.000 0.000 0.000 0.000 0.000 0.000 +ASN 2 3.800 0.000 0.000 1.684 126.817 -149.559 +LEU 3 3.800 115.176 0.000 1.939 150.020 -98.089 +TYR 4 3.800 85.892 -3.755 2.484 112.178 -102.519 +ILE 5 3.800 116.964 15.144 1.776 159.294 -44.163 +GLN 6 3.800 120.336 128.098 2.240 151.052 -93.680 +TRP 7 3.800 133.429 -111.576 2.605 146.233 -29.025 +LEU 8 3.800 120.858 67.089 1.939 162.169 -27.301 +LYS 9 3.800 100.569 -8.806 2.541 138.962 -100.398 +ASP 10 3.800 122.737 110.747 1.709 122.691 -73.152 +GLY 11 3.800 94.617 -9.185 0.000 0.000 0.000 +GLY 12 3.800 93.146 176.355 0.000 0.000 0.000 +PRO 13 3.800 126.249 160.808 1.345 120.240 -134.055 +SER 14 3.800 118.988 -12.435 1.150 107.181 -71.135 +SER 15 3.800 91.714 120.185 1.150 106.140 -70.934 +GLY 16 3.800 113.778 10.693 0.000 0.000 0.000 +ARG 17 3.800 145.313 78.595 3.020 138.311 -173.754 +PRO 18 3.800 103.663 96.084 1.345 120.306 -116.513 +PRO 19 3.800 106.347 -22.709 1.345 130.128 -142.698 +PRO 20 3.800 130.897 53.153 1.345 95.776 -125.525 +SER 21 3.800 101.315 -140.275 1.150 132.905 -139.296 +D 22 3.800 122.973 -136.367 0.000 0.000 0.000 + +Geometry of the virtual chain. + Res d Theta Gamma Dsc Alpha Beta +D 1 0.000 0.000 0.000 0.000 0.000 0.000 +ASN 2 3.800 0.000 0.000 1.684 149.824 -26.699 +LEU 3 3.800 142.183 0.000 1.939 174.841 -172.716 +TYR 4 3.800 58.697 167.120 2.484 150.641 -147.396 +ILE 5 3.800 111.372 -49.504 1.776 152.656 -72.186 +GLN 6 3.800 147.225 80.509 2.240 146.906 -168.664 +TRP 7 3.800 116.017 -51.281 2.605 146.278 124.618 +LEU 8 3.800 97.337 126.223 1.939 152.648 -47.203 +LYS 9 3.800 120.958 111.573 2.541 159.340 -61.396 +ASP 10 3.800 85.307 156.114 1.709 154.159 1.719 +GLY 11 3.800 91.680 81.671 0.000 0.000 0.000 +GLY 12 3.800 129.748 38.571 0.000 0.000 0.000 +PRO 13 3.800 141.065 121.289 1.345 92.971 -123.005 +SER 14 3.800 105.318 125.981 1.150 98.222 -67.057 +SER 15 3.800 119.610 172.002 1.150 99.962 -77.106 +GLY 16 3.800 106.941 147.514 0.000 0.000 0.000 +ARG 17 3.800 119.301 147.158 3.020 137.624 -161.009 +PRO 18 3.800 126.468 -68.479 1.345 125.964 -135.704 +PRO 19 3.800 123.501 95.076 1.345 125.871 -144.887 +PRO 20 3.800 129.661 -82.990 1.345 131.092 -168.119 +SER 21 3.800 149.117 -59.363 1.150 96.068 -69.714 +D 22 3.800 135.904 10.004 0.000 0.000 0.000 + +Geometry of the virtual chain. + Res d Theta Gamma Dsc Alpha Beta +D 1 0.000 0.000 0.000 0.000 0.000 0.000 +ASN 2 3.800 0.000 0.000 1.684 120.896 -73.982 +LEU 3 3.800 129.565 0.000 1.939 150.391 -25.088 +TYR 4 3.800 107.389 84.351 2.484 148.010 9.605 +ILE 5 3.800 91.351 1.980 1.776 136.656 -63.052 +GLN 6 3.800 62.451 -68.291 2.240 134.011 -136.973 +TRP 7 3.800 115.245 -174.317 2.605 134.164 7.798 +LEU 8 3.800 113.809 -23.622 1.939 144.083 -87.383 +LYS 9 3.800 123.762 -44.572 2.541 164.836 -68.080 +ASP 10 3.800 130.761 -95.839 1.709 111.866 -73.681 +GLY 11 3.800 132.235 -81.495 0.000 0.000 0.000 +GLY 12 3.800 114.951 -174.139 0.000 0.000 0.000 +PRO 13 3.800 99.095 28.737 1.345 124.195 -140.326 +SER 14 3.800 132.847 122.473 1.150 92.583 -66.559 +SER 15 3.800 121.988 13.919 1.150 89.754 -74.783 +GLY 16 3.800 94.150 51.655 0.000 0.000 0.000 +ARG 17 3.800 117.044 -9.170 3.020 132.377 -39.757 +PRO 18 3.800 95.011 120.552 1.345 121.841 -129.780 +PRO 19 3.800 117.145 83.261 1.345 107.269 -112.974 +PRO 20 3.800 82.065 9.398 1.345 123.569 -134.476 +SER 21 3.800 119.181 -81.313 1.150 152.512 7.739 +D 22 3.800 87.529 99.884 0.000 0.000 0.000 +CG Processor: 0: bad sampling box. +CG Processor: 0: bad sampling box. +CG Processor: 0: bad sampling box. +CG Processor: 0: bad sampling box. +CG Processor: 0: bad sampling box. +CG Processor: 0: bad sampling box. +CG Processor: 0: bad sampling box. +CG Processor: 0: bad sampling box. +CG Processor: 0: bad sampling box. +CG Processor: 0: bad sampling box. +CG Processor: 0: bad sampling box. +CG Processor: 0: bad sampling box. +CG Processor: 0: bad sampling box. +CG Processor: 0: bad sampling box. +CG Processor: 0: bad sampling box. +CG Processor: 0: bad sampling box. +CG Processor: 0: bad sampling box. +CG Processor: 0: bad sampling box. +CG Processor: 0: bad sampling box. +CG Processor: 0: bad sampling box. +CG Processor: 0: bad sampling box. +CG Processor: 0: bad sampling box. +CG Processor: 0: bad sampling box. +CG Processor: 0: bad sampling box. +CG Processor: 0: bad sampling box. +CG Processor: 0: bad sampling box. +CG Processor: 0: bad sampling box. +CG Processor: 0: bad sampling box. +CG Processor: 0: bad sampling box. +CG Processor: 0: bad sampling box. +CG Processor: 0: bad sampling box. +CG Processor: 0: bad sampling box. +CG Processor: 0: bad sampling box. +CG Processor: 0: bad sampling box. +CG Processor: 0: bad sampling box. +CG Processor: 0: bad sampling box. +CG Processor: 0: bad sampling box. +CG Processor: 0: bad sampling box. +CG Processor: 0: bad sampling box. +CG Processor: 0: bad sampling box. +CG Processor: 0: bad sampling box. +CG Processor: 0: bad sampling box. +CG Processor: 0: bad sampling box. +CG Processor: 0: bad sampling box. +CG Processor: 0: bad sampling box. +CG Processor: 0: bad sampling box. +CG Processor: 0: bad sampling box. +CG Processor: 0: bad sampling box. +CG Processor: 0: bad sampling box. +CG Processor: 0: bad sampling box. +CG Processor: 0: bad sampling box. +CG Processor: 0: bad sampling box. +CG Processor: 0: bad sampling box. +CG Processor: 0: bad sampling box. +CG Processor: 0: bad sampling box. +CG Processor: 0: bad sampling box. +CG Processor: 0: bad sampling box. +CG Processor: 0: bad sampling box. +CG Processor: 0: bad sampling box. +CG Processor: 0: bad sampling box. +CG Processor: 0: bad sampling box. +CG Processor: 0: bad sampling box. +CG Processor: 0: bad sampling box. +CG Processor: 0: bad sampling box. +CG Processor: 0: bad sampling box. +CG Processor: 0: bad sampling box. +CG Processor: 0: bad sampling box. +CG Processor: 0: bad sampling box. +CG Processor: 0: bad sampling box. +CG Processor: 0: bad sampling box. +CG Processor: 0: bad sampling box. +CG Processor: 0: bad sampling box. +CG Processor: 0: bad sampling box. +CG Processor: 0: bad sampling box. +CG Processor: 0: bad sampling box. +CG Processor: 0: bad sampling box. +CG Processor: 0: bad sampling box. +CG Processor: 0: bad sampling box. +CG Processor: 0: bad sampling box. +CG Processor: 0: bad sampling box. +CG Processor: 0: bad sampling box. +CG Processor: 0: bad sampling box. +CG Processor: 0: bad sampling box. +CG Processor: 0: bad sampling box. +CG Processor: 0: bad sampling box. +CG Processor: 0: bad sampling box. +CG Processor: 0: bad sampling box. +CG Processor: 0: bad sampling box. +CG Processor: 0: bad sampling box. +CG Processor: 0: bad sampling box. +CG Processor: 0: bad sampling box. +CG Processor: 0: bad sampling box. +CG Processor: 0: bad sampling box. +CG Processor: 0: bad sampling box. +CG Processor: 0: bad sampling box. +CG Processor: 0: bad sampling box. +CG Processor: 0: bad sampling box. +CG Processor: 0: bad sampling box. +CG Processor: 0: bad sampling box. +CG Processor: 0: bad sampling box. +CG Processor: 0: bad sampling box. + Failed to generate conformation # 107 itrial= 107 + +Geometry of the virtual chain. + Res d Theta Gamma Dsc Alpha Beta +D 1 0.000 0.000 0.000 0.000 0.000 0.000 +ASN 2 3.800 0.000 0.000 1.684 149.679 -136.407 +LEU 3 3.800 120.537 0.000 1.939 145.800 -85.224 +TYR 4 3.800 92.131 -78.350 2.484 136.038 -149.919 +ILE 5 3.800 127.232 144.652 1.776 132.026 -56.939 +GLN 6 3.800 84.700 -17.022 2.240 139.092 -69.132 +TRP 7 3.800 102.590 137.533 2.605 140.108 -26.845 +LEU 8 3.800 101.906 -162.840 1.939 154.273 -24.921 +LYS 9 3.800 107.764 -58.773 2.541 139.198 -136.751 +ASP 10 3.800 122.470 19.217 1.709 78.360 -87.151 +GLY 11 3.800 171.000 -41.488 0.000 0.000 0.000 +GLY 12 3.800 127.890 154.060 0.000 0.000 0.000 +PRO 13 3.800 116.227 -131.002 1.345 128.973 -139.473 +SER 14 3.800 128.221 -105.031 1.150 130.902 -58.285 +SER 15 3.800 95.202 -102.163 1.150 154.397 -71.226 +GLY 16 3.800 104.369 -161.394 0.000 0.000 0.000 +ARG 17 3.800 161.086 -119.762 3.020 134.662 -127.582 +PRO 18 3.800 110.654 -94.812 1.345 111.160 -104.179 +PRO 19 3.800 88.956 80.889 1.345 124.438 -145.656 +PRO 20 3.800 139.255 -4.747 1.345 125.797 -142.859 +SER 21 3.800 133.343 -63.560 1.150 98.741 -73.694 +D 22 3.800 135.685 -128.299 0.000 0.000 0.000 + +Geometry of the virtual chain. + Res d Theta Gamma Dsc Alpha Beta +D 1 0.000 0.000 0.000 0.000 0.000 0.000 +ASN 2 3.800 0.000 0.000 1.684 121.227 -120.741 +LEU 3 3.800 134.554 0.000 1.939 148.738 -76.899 +TYR 4 3.800 99.621 -38.571 2.484 146.496 -150.436 +ILE 5 3.800 104.465 117.896 1.776 143.118 -79.835 +GLN 6 3.800 107.449 -157.047 2.240 126.687 -167.083 +TRP 7 3.800 98.368 142.274 2.605 133.159 -133.989 +LEU 8 3.800 138.295 80.111 1.939 139.770 -36.555 +LYS 9 3.800 125.445 -28.995 2.541 144.689 92.388 +ASP 10 3.800 116.496 161.429 1.709 149.579 -10.381 +GLY 11 3.800 119.849 111.183 0.000 0.000 0.000 +GLY 12 3.800 126.986 91.254 0.000 0.000 0.000 +PRO 13 3.800 132.667 164.000 1.345 136.203 -165.972 +SER 14 3.800 145.548 153.394 1.150 155.048 -94.689 +SER 15 3.800 110.788 -14.176 1.150 104.329 -121.720 +GLY 16 3.800 139.492 -61.744 0.000 0.000 0.000 +ARG 17 3.800 97.238 153.142 3.020 120.336 -68.256 +PRO 18 3.800 110.783 87.958 1.345 96.105 -108.793 +PRO 19 3.800 87.005 172.074 1.345 127.526 -142.501 +PRO 20 3.800 117.515 -59.220 1.345 126.749 -130.963 +SER 21 3.800 113.607 136.225 1.150 83.493 -53.475 +D 22 3.800 155.770 156.384 0.000 0.000 0.000 + +Geometry of the virtual chain. + Res d Theta Gamma Dsc Alpha Beta +D 1 0.000 0.000 0.000 0.000 0.000 0.000 +ASN 2 3.800 0.000 0.000 1.684 137.150 -137.217 +LEU 3 3.800 98.048 0.000 1.939 155.329 -19.303 +TYR 4 3.800 97.734 -16.987 2.484 143.445 8.823 +ILE 5 3.800 135.093 -91.796 1.776 166.148 156.568 +GLN 6 3.800 114.490 -42.657 2.240 160.233 -48.515 +TRP 7 3.800 126.095 -94.485 2.605 152.877 -152.522 +LEU 8 3.800 98.543 -33.574 1.939 163.627 -11.430 +LYS 9 3.800 74.803 -112.484 2.541 124.761 -79.380 +ASP 10 3.800 144.701 -148.807 1.709 136.100 -17.252 +GLY 11 3.800 137.684 -136.822 0.000 0.000 0.000 +GLY 12 3.800 103.410 164.109 0.000 0.000 0.000 +PRO 13 3.800 111.085 -131.683 1.345 114.762 -108.248 +SER 14 3.800 109.502 -16.370 1.150 163.775 -18.869 +SER 15 3.800 105.896 -168.526 1.150 137.465 -91.129 +GLY 16 3.800 122.865 162.318 0.000 0.000 0.000 +ARG 17 3.800 123.376 98.678 3.020 123.309 24.406 +PRO 18 3.800 138.644 -145.796 1.345 122.164 -154.244 +PRO 19 3.800 146.174 -16.921 1.345 118.602 -137.178 +PRO 20 3.800 136.348 -170.264 1.345 122.943 -134.417 +SER 21 3.800 125.069 60.630 1.150 132.982 -106.987 +D 22 3.800 120.237 -73.102 0.000 0.000 0.000 + +Geometry of the virtual chain. + Res d Theta Gamma Dsc Alpha Beta +D 1 0.000 0.000 0.000 0.000 0.000 0.000 +ASN 2 3.800 0.000 0.000 1.684 166.418 -11.741 +LEU 3 3.800 104.643 0.000 1.939 155.986 -40.770 +TYR 4 3.800 108.851 114.899 2.484 145.057 -176.362 +ILE 5 3.800 133.457 -10.083 1.776 150.262 -69.322 +GLN 6 3.800 143.857 -74.733 2.240 140.568 -162.071 +TRP 7 3.800 106.192 171.088 2.605 121.004 -112.863 +LEU 8 3.800 123.891 -61.729 1.939 162.864 -5.449 +LYS 9 3.800 91.028 29.796 2.541 143.112 127.228 +ASP 10 3.800 115.101 127.562 1.709 121.668 -87.523 +GLY 11 3.800 136.001 -113.825 0.000 0.000 0.000 +GLY 12 3.800 106.666 87.661 0.000 0.000 0.000 +PRO 13 3.800 154.419 -71.147 1.345 108.572 -107.508 +SER 14 3.800 104.253 -139.168 1.150 103.686 -75.311 +SER 15 3.800 131.498 -142.899 1.150 162.092 -29.432 +GLY 16 3.800 89.237 153.259 0.000 0.000 0.000 +ARG 17 3.800 130.215 9.345 3.020 139.590 172.743 +PRO 18 3.800 120.595 -69.811 1.345 134.771 -134.775 +PRO 19 3.800 124.752 -0.187 1.345 92.653 -96.040 +PRO 20 3.800 85.147 41.650 1.345 117.446 -124.459 +SER 21 3.800 115.351 79.367 1.150 144.051 -92.913 +D 22 3.800 126.706 117.721 0.000 0.000 0.000 + +Geometry of the virtual chain. + Res d Theta Gamma Dsc Alpha Beta +D 1 0.000 0.000 0.000 0.000 0.000 0.000 +ASN 2 3.800 0.000 0.000 1.684 160.821 -58.065 +LEU 3 3.800 96.193 0.000 1.939 150.069 -139.707 +TYR 4 3.800 82.724 -33.137 2.484 133.248 179.257 +ILE 5 3.800 111.006 -68.823 1.776 143.803 -88.067 +GLN 6 3.800 87.048 -117.785 2.240 163.945 -38.776 +TRP 7 3.800 89.854 133.375 2.605 91.880 -65.261 +LEU 8 3.800 149.793 175.762 1.939 150.435 -94.957 +LYS 9 3.800 116.049 162.506 2.541 141.610 -121.668 +ASP 10 3.800 129.077 -88.014 1.709 149.060 -8.236 +GLY 11 3.800 120.796 178.467 0.000 0.000 0.000 +GLY 12 3.800 130.780 -148.900 0.000 0.000 0.000 +PRO 13 3.800 127.311 -121.465 1.345 98.476 -115.295 +SER 14 3.800 93.229 -26.633 1.150 107.210 -51.135 +SER 15 3.800 121.385 -47.437 1.150 110.003 -58.200 +GLY 16 3.800 113.302 74.790 0.000 0.000 0.000 +ARG 17 3.800 124.632 -126.779 3.020 48.143 96.308 +PRO 18 3.800 171.000 41.145 1.345 130.635 -163.148 +PRO 19 3.800 143.922 113.966 1.345 118.760 -124.452 +PRO 20 3.800 114.268 -143.484 1.345 96.126 -123.774 +SER 21 3.800 101.416 -72.244 1.150 102.901 -60.953 +D 22 3.800 136.687 95.148 0.000 0.000 0.000 + +Geometry of the virtual chain. + Res d Theta Gamma Dsc Alpha Beta +D 1 0.000 0.000 0.000 0.000 0.000 0.000 +ASN 2 3.800 0.000 0.000 1.684 118.215 -92.479 +LEU 3 3.800 130.767 0.000 1.939 149.967 -155.914 +TYR 4 3.800 91.034 -134.884 2.484 119.338 -158.784 +ILE 5 3.800 143.358 -19.682 1.776 161.006 -163.496 +GLN 6 3.800 100.164 19.655 2.240 128.389 -138.604 +TRP 7 3.800 94.915 -40.621 2.605 131.202 -9.413 +LEU 8 3.800 100.195 -165.253 1.939 134.870 -46.472 +LYS 9 3.800 153.955 117.883 2.541 146.110 -70.759 +ASP 10 3.800 109.906 71.132 1.709 148.429 -28.081 +GLY 11 3.800 91.213 43.348 0.000 0.000 0.000 +GLY 12 3.800 125.664 58.450 0.000 0.000 0.000 +PRO 13 3.800 158.832 -38.977 1.345 119.712 -121.492 +SER 14 3.800 117.502 -139.010 1.150 158.213 -28.468 +SER 15 3.800 128.852 -92.348 1.150 150.215 -91.703 +GLY 16 3.800 114.293 -140.280 0.000 0.000 0.000 +ARG 17 3.800 113.997 107.114 3.020 155.191 172.024 +PRO 18 3.800 86.614 -104.099 1.345 123.999 -147.478 +PRO 19 3.800 142.899 25.256 1.345 128.272 -141.271 +PRO 20 3.800 123.607 170.391 1.345 132.400 -163.157 +SER 21 3.800 147.325 -177.877 1.150 100.866 -64.582 +D 22 3.800 132.723 -116.942 0.000 0.000 0.000 + +Geometry of the virtual chain. + Res d Theta Gamma Dsc Alpha Beta +D 1 0.000 0.000 0.000 0.000 0.000 0.000 +ASN 2 3.800 0.000 0.000 1.684 139.151 -30.184 +LEU 3 3.800 130.757 0.000 1.939 143.353 -32.144 +TYR 4 3.800 92.984 -148.086 2.484 154.214 167.222 +ILE 5 3.800 102.120 -93.881 1.776 137.013 -53.143 +GLN 6 3.800 111.578 25.181 2.240 135.478 -59.094 +TRP 7 3.800 93.511 66.997 2.605 114.209 -22.565 +LEU 8 3.800 122.964 6.690 1.939 160.192 -15.111 +LYS 9 3.800 99.830 -118.599 2.541 141.871 -128.888 +ASP 10 3.800 104.748 -9.989 1.709 158.742 -8.250 +GLY 11 3.800 128.391 -37.627 0.000 0.000 0.000 +GLY 12 3.800 144.552 4.722 0.000 0.000 0.000 +PRO 13 3.800 117.675 -177.936 1.345 115.135 -121.026 +SER 14 3.800 113.178 -74.132 1.150 159.005 -117.318 +SER 15 3.800 90.346 49.153 1.150 92.689 -66.244 +GLY 16 3.800 134.959 -150.172 0.000 0.000 0.000 +ARG 17 3.800 148.378 -86.619 3.020 150.146 -11.362 +PRO 18 3.800 116.643 -170.590 1.345 130.282 -138.802 +PRO 19 3.800 130.166 -37.006 1.345 134.940 -162.305 +PRO 20 3.800 144.350 -170.661 1.345 99.091 -125.949 +SER 21 3.800 97.801 -176.894 1.150 117.390 -85.814 +D 22 3.800 86.304 -14.878 0.000 0.000 0.000 + +Geometry of the virtual chain. + Res d Theta Gamma Dsc Alpha Beta +D 1 0.000 0.000 0.000 0.000 0.000 0.000 +ASN 2 3.800 0.000 0.000 1.684 124.193 -80.537 +LEU 3 3.800 129.074 0.000 1.939 162.707 -179.915 +TYR 4 3.800 89.617 78.294 2.484 138.717 -155.715 +ILE 5 3.800 113.391 57.958 1.776 167.033 -147.218 +GLN 6 3.800 123.790 49.235 2.240 124.516 -38.405 +TRP 7 3.800 104.114 0.261 2.605 124.790 -20.036 +LEU 8 3.800 128.166 -112.014 1.939 137.309 -81.036 +LYS 9 3.800 131.782 -84.897 2.541 133.715 -54.718 +ASP 10 3.800 101.947 45.580 1.709 116.785 -95.523 +GLY 11 3.800 130.450 51.482 0.000 0.000 0.000 +GLY 12 3.800 135.134 16.325 0.000 0.000 0.000 +PRO 13 3.800 124.419 -133.335 1.345 118.614 -102.416 +SER 14 3.800 105.997 132.381 1.150 109.838 -79.202 +SER 15 3.800 96.718 -32.720 1.150 136.525 -36.460 +GLY 16 3.800 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3.800 98.375 -133.158 1.939 156.199 -18.004 +LYS 9 3.800 93.754 114.958 2.541 152.476 -60.638 +ASP 10 3.800 138.603 11.393 1.709 130.780 -84.991 +GLY 11 3.800 85.682 60.108 0.000 0.000 0.000 +GLY 12 3.800 116.105 116.065 0.000 0.000 0.000 +PRO 13 3.800 140.907 -87.271 1.345 94.461 -68.211 +SER 14 3.800 89.149 74.878 1.150 98.199 -73.600 +SER 15 3.800 139.176 -92.574 1.150 140.222 177.233 +GLY 16 3.800 118.034 -50.279 0.000 0.000 0.000 +ARG 17 3.800 129.274 -44.165 3.020 138.740 -135.555 +PRO 18 3.800 117.830 -70.650 1.345 103.123 -129.289 +PRO 19 3.800 90.931 -167.592 1.345 109.643 -117.073 +PRO 20 3.800 86.620 32.643 1.345 109.363 -116.166 +SER 21 3.800 81.891 -143.045 1.150 148.128 -120.149 +D 22 3.800 90.141 -8.948 0.000 0.000 0.000 + +Geometry of the virtual chain. + Res d Theta Gamma Dsc Alpha Beta +D 1 0.000 0.000 0.000 0.000 0.000 0.000 +ASN 2 3.800 0.000 0.000 1.684 154.116 1.134 +LEU 3 3.800 98.208 0.000 1.939 120.158 -79.492 +TYR 4 3.800 136.993 57.227 2.484 135.376 -138.651 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0.000 0.000 0.000 +ASN 2 3.800 0.000 0.000 1.684 145.097 -142.246 +LEU 3 3.800 99.278 0.000 1.939 146.367 -83.889 +TYR 4 3.800 132.859 -96.378 2.484 136.574 -171.918 +ILE 5 3.800 117.846 69.140 1.776 169.751 -51.770 +GLN 6 3.800 122.823 55.261 2.240 148.844 140.581 +TRP 7 3.800 123.959 -83.022 2.605 148.660 -23.191 +LEU 8 3.800 127.527 -179.437 1.939 153.973 -16.218 +LYS 9 3.800 100.358 49.572 2.541 166.194 -95.522 +ASP 10 3.800 117.772 -157.232 1.709 130.146 -120.797 +GLY 11 3.800 100.622 -31.084 0.000 0.000 0.000 +GLY 12 3.800 122.517 -95.473 0.000 0.000 0.000 +PRO 13 3.800 95.225 66.044 1.345 135.170 147.150 +SER 14 3.800 162.547 -35.540 1.150 153.555 -61.617 +SER 15 3.800 95.724 173.688 1.150 101.311 -61.255 +GLY 16 3.800 87.395 -52.293 0.000 0.000 0.000 +ARG 17 3.800 138.452 -130.898 3.020 174.656 112.199 +PRO 18 3.800 122.986 -148.283 1.345 138.670 -176.466 +PRO 19 3.800 148.390 -139.709 1.345 121.082 -157.225 +PRO 20 3.800 150.183 102.741 1.345 83.807 -103.682 +SER 21 3.800 68.010 154.604 1.150 90.269 -47.186 +D 22 3.800 159.493 -111.204 0.000 0.000 0.000 + +Geometry of the virtual chain. + Res d Theta Gamma Dsc Alpha Beta +D 1 0.000 0.000 0.000 0.000 0.000 0.000 +ASN 2 3.800 0.000 0.000 1.684 108.476 -81.730 +LEU 3 3.800 103.020 0.000 1.939 160.448 -165.255 +TYR 4 3.800 71.051 -2.567 2.484 133.479 -166.001 +ILE 5 3.800 127.226 64.723 1.776 158.182 -97.450 +GLN 6 3.800 158.370 124.987 2.240 157.862 143.995 +TRP 7 3.800 68.408 10.604 2.605 151.446 13.012 +LEU 8 3.800 89.785 138.233 1.939 142.437 -117.556 +LYS 9 3.800 144.096 -143.521 2.541 171.549 -88.658 +ASP 10 3.800 110.127 -72.241 1.709 109.553 -95.438 +GLY 11 3.800 121.354 -170.803 0.000 0.000 0.000 +GLY 12 3.800 165.072 -152.818 0.000 0.000 0.000 +PRO 13 3.800 134.646 125.190 1.345 97.534 -111.014 +SER 14 3.800 85.597 135.262 1.150 137.139 -66.715 +SER 15 3.800 118.877 113.584 1.150 96.084 -50.166 +GLY 16 3.800 144.219 125.161 0.000 0.000 0.000 +ARG 17 3.800 86.500 144.496 3.020 133.951 -102.834 +PRO 18 3.800 124.660 98.918 1.345 124.006 -143.751 +PRO 19 3.800 130.014 25.690 1.345 121.639 -135.781 +PRO 20 3.800 130.278 -111.754 1.345 114.788 -113.937 +SER 21 3.800 116.155 53.285 1.150 105.603 -68.873 +D 22 3.800 85.466 -66.344 0.000 0.000 0.000 + +Geometry of the virtual chain. + Res d Theta Gamma Dsc Alpha Beta +D 1 0.000 0.000 0.000 0.000 0.000 0.000 +ASN 2 3.800 0.000 0.000 1.684 129.645 -124.164 +LEU 3 3.800 134.721 0.000 1.939 154.068 -161.722 +TYR 4 3.800 106.303 29.223 2.484 136.246 -12.855 +ILE 5 3.800 95.400 -70.907 1.776 170.715 -159.193 +GLN 6 3.800 144.434 133.475 2.240 162.999 -161.104 +TRP 7 3.800 93.967 34.948 2.605 151.184 160.957 +LEU 8 3.800 113.191 102.587 1.939 146.294 -37.511 +LYS 9 3.800 101.670 -5.900 2.541 118.637 -34.899 +ASP 10 3.800 87.841 -96.986 1.709 101.348 -97.884 +GLY 11 3.800 164.962 -8.107 0.000 0.000 0.000 +GLY 12 3.800 122.593 97.055 0.000 0.000 0.000 +PRO 13 3.800 115.025 145.334 1.345 126.801 -137.731 +SER 14 3.800 124.361 134.466 1.150 92.491 -67.023 +SER 15 3.800 113.807 -0.370 1.150 139.877 -43.594 +GLY 16 3.800 97.746 16.002 0.000 0.000 0.000 +ARG 17 3.800 116.488 -177.808 3.020 97.648 17.129 +PRO 18 3.800 160.402 -99.051 1.345 148.294 48.923 +PRO 19 3.800 171.000 -111.828 1.345 122.498 -143.404 +PRO 20 3.800 126.269 -87.636 1.345 122.872 -134.307 +SER 21 3.800 120.568 68.477 1.150 154.271 -119.539 +D 22 3.800 138.159 84.806 0.000 0.000 0.000 + +Geometry of the virtual chain. + Res d Theta Gamma Dsc Alpha Beta +D 1 0.000 0.000 0.000 0.000 0.000 0.000 +ASN 2 3.800 0.000 0.000 1.684 146.659 -82.898 +LEU 3 3.800 104.691 0.000 1.939 130.912 -92.145 +TYR 4 3.800 99.698 -21.851 2.484 136.218 -129.070 +ILE 5 3.800 139.184 133.888 1.776 167.826 -103.798 +GLN 6 3.800 127.877 123.055 2.240 156.426 -157.222 +TRP 7 3.800 103.757 -37.086 2.605 131.238 -91.394 +LEU 8 3.800 141.219 167.247 1.939 155.659 -68.349 +LYS 9 3.800 134.637 -28.544 2.541 170.713 -66.709 +ASP 10 3.800 88.097 150.644 1.709 125.982 -101.656 +GLY 11 3.800 97.164 174.807 0.000 0.000 0.000 +GLY 12 3.800 133.826 -105.613 0.000 0.000 0.000 +PRO 13 3.800 105.144 3.645 1.345 164.104 36.853 +SER 14 3.800 171.000 -48.712 1.150 132.568 -100.580 +SER 15 3.800 132.625 36.687 1.150 131.156 -94.465 +GLY 16 3.800 81.109 73.579 0.000 0.000 0.000 +ARG 17 3.800 141.453 115.280 3.020 112.933 -104.320 +PRO 18 3.800 141.213 95.663 1.345 130.835 -148.676 +PRO 19 3.800 129.935 29.022 1.345 127.178 -147.549 +PRO 20 3.800 137.921 -40.752 1.345 121.794 -133.736 +SER 21 3.800 131.497 13.880 1.150 87.056 -74.465 +D 22 3.800 141.660 -110.642 0.000 0.000 0.000 + +Geometry of the virtual chain. + Res d Theta Gamma Dsc Alpha Beta +D 1 0.000 0.000 0.000 0.000 0.000 0.000 +ASN 2 3.800 0.000 0.000 1.684 159.340 158.315 +LEU 3 3.800 73.040 0.000 1.939 151.016 -123.877 +TYR 4 3.800 100.261 -85.003 2.484 135.699 -4.604 +ILE 5 3.800 121.421 53.355 1.776 174.208 -77.272 +GLN 6 3.800 141.683 31.593 2.240 135.681 -82.470 +TRP 7 3.800 89.994 -117.953 2.605 125.755 -96.635 +LEU 8 3.800 131.202 -56.633 1.939 163.279 -108.919 +LYS 9 3.800 85.242 -53.470 2.541 162.187 -107.761 +ASP 10 3.800 112.217 -75.209 1.709 141.022 -30.365 +GLY 11 3.800 110.804 -110.880 0.000 0.000 0.000 +GLY 12 3.800 139.196 78.568 0.000 0.000 0.000 +PRO 13 3.800 89.240 -104.315 1.345 116.373 -125.401 +SER 14 3.800 121.833 -77.437 1.150 100.121 -57.031 +SER 15 3.800 92.257 68.827 1.150 88.522 -66.670 +GLY 16 3.800 121.466 84.004 0.000 0.000 0.000 +ARG 17 3.800 124.932 -171.084 3.020 118.173 29.593 +PRO 18 3.800 142.008 0.484 1.345 131.627 176.971 +PRO 19 3.800 155.656 148.822 1.345 104.342 -105.740 +PRO 20 3.800 71.027 -135.771 1.345 132.130 174.090 +SER 21 3.800 156.437 -83.193 1.150 93.299 -60.797 +D 22 3.800 100.206 -4.171 0.000 0.000 0.000 +CG Processor: 0: bad sampling box. +CG Processor: 0: bad sampling box. +CG Processor: 0: bad sampling box. +CG Processor: 0: bad sampling box. +CG Processor: 0: bad sampling box. +CG Processor: 0: bad sampling box. +CG Processor: 0: bad sampling box. +CG Processor: 0: bad sampling box. +CG Processor: 0: bad sampling box. +CG Processor: 0: bad sampling box. +CG Processor: 0: bad sampling box. +CG Processor: 0: bad sampling box. +CG Processor: 0: bad sampling box. +CG Processor: 0: bad sampling box. +CG Processor: 0: bad sampling box. +CG Processor: 0: bad sampling box. +CG Processor: 0: bad sampling box. +CG Processor: 0: bad sampling box. +CG Processor: 0: bad sampling box. +CG Processor: 0: bad sampling box. +CG Processor: 0: bad sampling box. +CG Processor: 0: bad sampling box. +CG Processor: 0: bad sampling box. +CG Processor: 0: bad sampling box. +CG Processor: 0: bad sampling box. +CG Processor: 0: bad sampling box. +CG Processor: 0: bad sampling box. +CG Processor: 0: bad sampling box. +CG Processor: 0: bad sampling box. +CG Processor: 0: bad sampling box. +CG Processor: 0: bad sampling box. +CG Processor: 0: bad sampling box. +CG Processor: 0: bad sampling box. +CG Processor: 0: bad sampling box. +CG Processor: 0: bad sampling box. +CG Processor: 0: bad sampling box. +CG Processor: 0: bad sampling box. +CG Processor: 0: bad sampling box. +CG Processor: 0: bad sampling box. +CG Processor: 0: bad sampling box. +CG Processor: 0: bad sampling box. +CG Processor: 0: bad sampling box. +CG Processor: 0: bad sampling box. +CG Processor: 0: bad sampling box. +CG Processor: 0: bad sampling box. +CG Processor: 0: bad sampling box. +CG Processor: 0: bad sampling box. +CG Processor: 0: bad sampling box. +CG Processor: 0: bad sampling box. +CG Processor: 0: bad sampling box. +CG Processor: 0: bad sampling box. +CG Processor: 0: bad sampling box. +CG Processor: 0: bad sampling box. +CG Processor: 0: bad sampling box. +CG Processor: 0: bad sampling box. +CG Processor: 0: bad sampling box. +CG Processor: 0: bad sampling box. +CG Processor: 0: bad sampling box. +CG Processor: 0: bad sampling box. +CG Processor: 0: bad sampling box. +CG Processor: 0: bad sampling box. +CG Processor: 0: bad sampling box. +CG Processor: 0: bad sampling box. +CG Processor: 0: bad sampling box. +CG Processor: 0: bad sampling box. +CG Processor: 0: bad sampling box. +CG Processor: 0: bad sampling box. +CG Processor: 0: bad sampling box. +CG Processor: 0: bad sampling box. +CG Processor: 0: bad sampling box. +CG Processor: 0: bad sampling box. +CG Processor: 0: bad sampling box. +CG Processor: 0: bad sampling box. +CG Processor: 0: bad sampling box. +CG Processor: 0: bad sampling box. +CG Processor: 0: bad sampling box. +CG Processor: 0: bad sampling box. +CG Processor: 0: bad sampling box. +CG Processor: 0: bad sampling box. +CG Processor: 0: bad sampling box. +CG Processor: 0: bad sampling box. +CG Processor: 0: bad sampling box. +CG Processor: 0: bad sampling box. +CG Processor: 0: bad sampling box. +CG Processor: 0: bad sampling box. +CG Processor: 0: bad sampling box. +CG Processor: 0: bad sampling box. +CG Processor: 0: bad sampling box. +CG Processor: 0: bad sampling box. +CG Processor: 0: bad sampling box. +CG Processor: 0: bad sampling box. +CG Processor: 0: bad sampling box. +CG Processor: 0: bad sampling box. +CG Processor: 0: bad sampling box. +CG Processor: 0: bad sampling box. +CG Processor: 0: bad sampling box. +CG Processor: 0: bad sampling box. +CG Processor: 0: bad sampling box. +CG Processor: 0: bad sampling box. +CG Processor: 0: bad sampling box. +CG Processor: 0: bad sampling box. + Failed to generate conformation # 147 itrial= 148 + +Geometry of the virtual chain. + Res d Theta Gamma Dsc Alpha Beta +D 1 0.000 0.000 0.000 0.000 0.000 0.000 +ASN 2 3.800 0.000 0.000 1.684 163.799 -8.002 +LEU 3 3.800 115.074 0.000 1.939 135.541 -96.496 +TYR 4 3.800 119.472 -70.876 2.484 140.412 -157.296 +ILE 5 3.800 111.850 16.059 1.776 134.259 -87.836 +GLN 6 3.800 108.121 -18.006 2.240 167.251 155.581 +TRP 7 3.800 125.692 -84.027 2.605 102.627 -17.525 +LEU 8 3.800 103.516 -16.716 1.939 154.891 -150.072 +LYS 9 3.800 130.904 98.486 2.541 139.933 -154.799 +ASP 10 3.800 92.907 61.520 1.709 157.238 -14.253 +GLY 11 3.800 134.655 12.365 0.000 0.000 0.000 +GLY 12 3.800 130.453 -105.547 0.000 0.000 0.000 +PRO 13 3.800 107.580 154.833 1.345 101.373 -111.683 +SER 14 3.800 71.961 70.781 1.150 110.939 -74.711 +SER 15 3.800 88.469 100.645 1.150 98.704 -64.910 +GLY 16 3.800 88.716 166.806 0.000 0.000 0.000 +ARG 17 3.800 117.935 147.380 3.020 113.583 25.433 +PRO 18 3.800 129.115 -48.971 1.345 119.423 -113.734 +PRO 19 3.800 106.236 87.819 1.345 120.323 -133.384 +PRO 20 3.800 127.280 50.725 1.345 101.505 -89.386 +SER 21 3.800 77.989 125.870 1.150 100.403 -75.208 +D 22 3.800 95.325 -49.441 0.000 0.000 0.000 + +Geometry of the virtual chain. + Res d Theta Gamma Dsc Alpha Beta +D 1 0.000 0.000 0.000 0.000 0.000 0.000 +ASN 2 3.800 0.000 0.000 1.684 145.764 -10.979 +LEU 3 3.800 99.942 0.000 1.939 139.881 -155.905 +TYR 4 3.800 113.569 65.684 2.484 139.822 -29.016 +ILE 5 3.800 120.466 -173.561 1.776 172.041 -88.290 +GLN 6 3.800 129.026 9.002 2.240 156.171 -22.548 +TRP 7 3.800 120.971 -140.127 2.605 112.531 -118.954 +LEU 8 3.800 132.765 95.383 1.939 159.389 -42.608 +LYS 9 3.800 103.121 71.134 2.541 151.426 -100.834 +ASP 10 3.800 97.665 80.250 1.709 150.729 7.146 +GLY 11 3.800 112.306 141.749 0.000 0.000 0.000 +GLY 12 3.800 136.130 -157.811 0.000 0.000 0.000 +PRO 13 3.800 127.309 -133.164 1.345 125.416 -131.996 +SER 14 3.800 130.188 179.426 1.150 94.223 -22.707 +SER 15 3.800 146.939 -64.909 1.150 137.820 -46.499 +GLY 16 3.800 112.525 45.699 0.000 0.000 0.000 +ARG 17 3.800 138.566 116.080 3.020 147.168 -178.833 +PRO 18 3.800 86.943 130.781 1.345 121.460 -130.257 +PRO 19 3.800 122.249 -107.702 1.345 128.229 -130.679 +PRO 20 3.800 111.777 -149.181 1.345 125.840 -135.551 +SER 21 3.800 123.433 94.350 1.150 138.657 -92.148 +D 22 3.800 126.208 -0.592 0.000 0.000 0.000 + +Geometry of the virtual chain. + Res d Theta Gamma Dsc Alpha Beta +D 1 0.000 0.000 0.000 0.000 0.000 0.000 +ASN 2 3.800 0.000 0.000 1.684 111.105 -94.405 +LEU 3 3.800 132.735 0.000 1.939 150.362 -92.212 +TYR 4 3.800 112.768 -4.618 2.484 109.045 -88.235 +ILE 5 3.800 141.320 -2.117 1.776 139.924 -71.888 +GLN 6 3.800 86.011 153.566 2.240 156.816 -114.952 +TRP 7 3.800 92.261 -143.997 2.605 139.256 158.690 +LEU 8 3.800 109.283 -13.799 1.939 159.361 -131.153 +LYS 9 3.800 76.099 -53.421 2.541 178.583 -34.686 +ASP 10 3.800 90.126 158.655 1.709 154.566 -21.896 +GLY 11 3.800 128.856 -121.262 0.000 0.000 0.000 +GLY 12 3.800 127.835 31.316 0.000 0.000 0.000 +PRO 13 3.800 111.160 88.790 1.345 129.169 -137.141 +SER 14 3.800 118.888 122.459 1.150 102.617 -67.011 +SER 15 3.800 126.495 -127.066 1.150 128.965 -65.539 +GLY 16 3.800 135.341 136.492 0.000 0.000 0.000 +ARG 17 3.800 103.245 -163.801 3.020 152.075 -76.027 +PRO 18 3.800 140.196 49.230 1.345 115.135 -127.887 +PRO 19 3.800 126.973 133.716 1.345 106.902 -105.050 +PRO 20 3.800 92.127 -36.193 1.345 126.245 -146.042 +SER 21 3.800 129.154 169.489 1.150 96.176 -61.920 +D 22 3.800 92.251 -110.461 0.000 0.000 0.000 + +Geometry of the virtual chain. + Res d Theta Gamma Dsc Alpha Beta +D 1 0.000 0.000 0.000 0.000 0.000 0.000 +ASN 2 3.800 0.000 0.000 1.684 118.845 -83.759 +LEU 3 3.800 126.106 0.000 1.939 154.379 -40.110 +TYR 4 3.800 101.102 114.505 2.484 147.777 7.169 +ILE 5 3.800 123.077 -123.882 1.776 140.180 -81.725 +GLN 6 3.800 91.866 78.056 2.240 138.807 -147.803 +TRP 7 3.800 93.183 93.024 2.605 147.368 -12.583 +LEU 8 3.800 100.132 -111.036 1.939 157.870 -110.710 +LYS 9 3.800 114.214 -25.429 2.541 163.101 -149.274 +ASP 10 3.800 134.879 -78.809 1.709 148.859 -111.229 +GLY 11 3.800 87.316 -111.343 0.000 0.000 0.000 +GLY 12 3.800 125.627 106.908 0.000 0.000 0.000 +PRO 13 3.800 141.351 -138.787 1.345 102.952 -100.105 +SER 14 3.800 74.328 -61.237 1.150 144.028 -40.237 +SER 15 3.800 93.707 -54.024 1.150 102.495 -82.569 +GLY 16 3.800 104.429 -4.639 0.000 0.000 0.000 +ARG 17 3.800 140.903 -110.831 3.020 140.851 -85.657 +PRO 18 3.800 87.833 -174.965 1.345 103.442 -133.159 +PRO 19 3.800 107.804 -53.942 1.345 118.309 -108.822 +PRO 20 3.800 94.172 -161.779 1.345 103.419 -118.819 +SER 21 3.800 96.659 16.199 1.150 132.622 -124.179 +D 22 3.800 143.421 111.843 0.000 0.000 0.000 + +Geometry of the virtual chain. + Res d Theta Gamma Dsc Alpha Beta +D 1 0.000 0.000 0.000 0.000 0.000 0.000 +ASN 2 3.800 0.000 0.000 1.684 104.621 -79.669 +LEU 3 3.800 116.690 0.000 1.939 146.343 -97.928 +TYR 4 3.800 101.387 130.125 2.484 102.567 -79.521 +ILE 5 3.800 158.015 -88.260 1.776 137.105 -91.857 +GLN 6 3.800 152.358 0.493 2.240 178.758 -120.180 +TRP 7 3.800 142.708 -150.097 2.605 141.339 29.782 +LEU 8 3.800 118.405 140.080 1.939 138.510 -114.198 +LYS 9 3.800 121.671 -36.769 2.541 141.124 -94.856 +ASP 10 3.800 92.750 10.802 1.709 162.348 -27.748 +GLY 11 3.800 91.141 100.017 0.000 0.000 0.000 +GLY 12 3.800 152.769 61.655 0.000 0.000 0.000 +PRO 13 3.800 127.913 -66.470 1.345 102.721 -134.506 +SER 14 3.800 101.507 3.464 1.150 141.056 -48.095 +SER 15 3.800 106.938 -77.508 1.150 150.231 -158.636 +GLY 16 3.800 114.972 -25.138 0.000 0.000 0.000 +ARG 17 3.800 120.541 125.277 3.020 103.511 57.610 +PRO 18 3.800 154.457 -35.098 1.345 115.655 -109.113 +PRO 19 3.800 113.516 49.332 1.345 101.505 -117.850 +PRO 20 3.800 88.906 -26.011 1.345 107.150 -128.917 +SER 21 3.800 101.444 86.970 1.150 103.781 -64.622 +D 22 3.800 116.396 17.986 0.000 0.000 0.000 + +Geometry of the virtual chain. + Res d Theta Gamma Dsc Alpha Beta +D 1 0.000 0.000 0.000 0.000 0.000 0.000 +ASN 2 3.800 0.000 0.000 1.684 146.126 -134.293 +LEU 3 3.800 110.874 0.000 1.939 137.314 -155.111 +TYR 4 3.800 104.219 -1.541 2.484 156.229 -159.817 +ILE 5 3.800 111.028 -164.794 1.776 155.693 -65.297 +GLN 6 3.800 88.879 89.081 2.240 134.682 -138.183 +TRP 7 3.800 129.530 -175.985 2.605 97.819 -90.013 +LEU 8 3.800 132.194 170.530 1.939 138.996 -145.120 +LYS 9 3.800 122.270 -126.409 2.541 163.494 141.338 +ASP 10 3.800 104.046 -50.428 1.709 126.394 -66.387 +GLY 11 3.800 101.809 -35.876 0.000 0.000 0.000 +GLY 12 3.800 96.677 -28.575 0.000 0.000 0.000 +PRO 13 3.800 128.502 -73.236 1.345 126.785 -125.927 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127.486 -1.077 2.541 144.882 -94.814 +ASP 10 3.800 123.249 -129.481 1.709 141.924 -146.246 +GLY 11 3.800 96.285 -134.182 0.000 0.000 0.000 +GLY 12 3.800 132.663 165.017 0.000 0.000 0.000 +PRO 13 3.800 128.692 -48.676 1.345 92.501 -113.049 +SER 14 3.800 71.297 -111.795 1.150 111.540 -71.949 +SER 15 3.800 100.653 54.501 1.150 145.519 -44.897 +GLY 16 3.800 93.577 59.023 0.000 0.000 0.000 +ARG 17 3.800 115.603 40.094 3.020 136.535 -73.774 +PRO 18 3.800 151.115 76.856 1.345 121.651 -127.561 +PRO 19 3.800 121.977 11.407 1.345 125.042 -155.046 +PRO 20 3.800 142.604 -126.084 1.345 90.799 -121.739 +SER 21 3.800 81.562 6.802 1.150 155.032 -57.946 +D 22 3.800 108.388 -123.076 0.000 0.000 0.000 + +Geometry of the virtual chain. + Res d Theta Gamma Dsc Alpha Beta +D 1 0.000 0.000 0.000 0.000 0.000 0.000 +ASN 2 3.800 0.000 0.000 1.684 163.760 -150.731 +LEU 3 3.800 75.033 0.000 1.939 160.886 -32.453 +TYR 4 3.800 111.919 -14.483 2.484 110.817 -87.097 +ILE 5 3.800 127.675 137.276 1.776 132.805 -80.021 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1.684 141.880 -131.883 +LEU 3 3.800 101.959 0.000 1.939 152.073 -141.201 +TYR 4 3.800 77.875 161.314 2.484 142.865 -136.742 +ILE 5 3.800 145.203 68.751 1.776 151.909 -86.224 +GLN 6 3.800 85.997 -174.300 2.240 166.365 -161.057 +TRP 7 3.800 123.800 120.293 2.605 172.720 122.027 +LEU 8 3.800 90.930 1.004 1.939 142.016 -103.829 +LYS 9 3.800 135.469 -44.634 2.541 168.646 -98.671 +ASP 10 3.800 83.133 -73.691 1.709 137.999 -102.112 +GLY 11 3.800 103.233 99.528 0.000 0.000 0.000 +GLY 12 3.800 129.329 170.520 0.000 0.000 0.000 +PRO 13 3.800 112.602 -43.105 1.345 126.011 -141.352 +SER 14 3.800 127.181 -68.012 1.150 175.778 -48.092 +SER 15 3.800 115.175 -87.284 1.150 104.408 -64.714 +GLY 16 3.800 109.306 25.816 0.000 0.000 0.000 +ARG 17 3.800 143.902 126.110 3.020 97.399 71.858 +PRO 18 3.800 146.253 -158.574 1.345 125.709 -141.303 +PRO 19 3.800 126.138 -61.763 1.345 131.402 -160.113 +PRO 20 3.800 138.454 73.118 1.345 115.453 -114.524 +SER 21 3.800 117.688 35.194 1.150 109.325 -70.056 +D 22 3.800 94.861 169.762 0.000 0.000 0.000 + +Geometry of the virtual chain. + Res d Theta Gamma Dsc Alpha Beta +D 1 0.000 0.000 0.000 0.000 0.000 0.000 +ASN 2 3.800 0.000 0.000 1.684 148.350 -145.349 +LEU 3 3.800 93.317 0.000 1.939 144.767 -65.894 +TYR 4 3.800 129.947 -37.564 2.484 106.145 -96.107 +ILE 5 3.800 116.665 55.647 1.776 168.706 -114.513 +GLN 6 3.800 137.380 -60.609 2.240 150.442 -84.968 +TRP 7 3.800 132.071 -34.810 2.605 162.484 148.275 +LEU 8 3.800 99.859 -63.261 1.939 147.503 -139.415 +LYS 9 3.800 135.664 44.838 2.541 146.838 -106.655 +ASP 10 3.800 85.683 -67.328 1.709 154.186 -112.294 +GLY 11 3.800 97.307 -146.070 0.000 0.000 0.000 +GLY 12 3.800 124.849 -3.840 0.000 0.000 0.000 +PRO 13 3.800 97.792 -95.363 1.345 124.496 -147.631 +SER 14 3.800 133.994 56.755 1.150 156.614 -78.488 +SER 15 3.800 100.573 -142.865 1.150 145.411 -92.194 +GLY 16 3.800 123.819 -165.520 0.000 0.000 0.000 +ARG 17 3.800 146.349 -36.016 3.020 146.325 -111.274 +PRO 18 3.800 131.176 -102.427 1.345 133.769 -157.464 +PRO 19 3.800 134.192 -9.771 1.345 101.762 -100.256 +PRO 20 3.800 97.573 -22.598 1.345 139.267 173.041 +SER 21 3.800 150.218 -43.645 1.150 130.096 -64.889 +D 22 3.800 108.709 155.867 0.000 0.000 0.000 + +Geometry of the virtual chain. + Res d Theta Gamma Dsc Alpha Beta +D 1 0.000 0.000 0.000 0.000 0.000 0.000 +ASN 2 3.800 0.000 0.000 1.684 160.190 167.564 +LEU 3 3.800 96.867 0.000 1.939 159.824 -122.966 +TYR 4 3.800 94.959 -165.682 2.484 148.110 170.936 +ILE 5 3.800 112.113 21.544 1.776 170.992 -120.949 +GLN 6 3.800 128.597 -139.308 2.240 139.491 -101.550 +TRP 7 3.800 90.025 -110.761 2.605 130.187 -135.529 +LEU 8 3.800 138.193 23.598 1.939 153.506 -28.808 +LYS 9 3.800 98.502 23.947 2.541 144.152 -145.875 +ASP 10 3.800 98.819 -179.034 1.709 147.815 -50.285 +GLY 11 3.800 132.571 -119.418 0.000 0.000 0.000 +GLY 12 3.800 125.145 -155.443 0.000 0.000 0.000 +PRO 13 3.800 111.393 -52.516 1.345 123.244 -136.453 +SER 14 3.800 135.768 -31.309 1.150 111.181 -63.039 +SER 15 3.800 93.752 158.746 1.150 108.253 -76.557 +GLY 16 3.800 91.074 114.932 0.000 0.000 0.000 +ARG 17 3.800 127.995 -57.461 3.020 127.237 165.165 +PRO 18 3.800 94.686 -51.883 1.345 124.652 -150.275 +PRO 19 3.800 144.445 -111.724 1.345 120.912 -126.883 +PRO 20 3.800 123.594 167.706 1.345 122.092 -124.279 +SER 21 3.800 111.620 -72.026 1.150 127.254 -75.684 +D 22 3.800 132.950 -122.283 0.000 0.000 0.000 + +Geometry of the virtual chain. + Res d Theta Gamma Dsc Alpha Beta +D 1 0.000 0.000 0.000 0.000 0.000 0.000 +ASN 2 3.800 0.000 0.000 1.684 142.198 -100.838 +LEU 3 3.800 92.621 0.000 1.939 153.396 -119.381 +TYR 4 3.800 88.139 -173.966 2.484 140.349 -7.952 +ILE 5 3.800 85.279 94.355 1.776 162.052 -127.821 +GLN 6 3.800 130.383 -50.839 2.240 156.510 -22.543 +TRP 7 3.800 105.613 105.415 2.605 143.316 -122.763 +LEU 8 3.800 104.037 54.080 1.939 155.280 -130.798 +LYS 9 3.800 103.321 33.166 2.541 161.609 -122.266 +ASP 10 3.800 118.472 -21.510 1.709 145.911 -127.807 +GLY 11 3.800 84.927 -160.713 0.000 0.000 0.000 +GLY 12 3.800 95.113 -76.264 0.000 0.000 0.000 +PRO 13 3.800 101.948 -56.444 1.345 101.940 -86.812 +SER 14 3.800 76.105 -42.067 1.150 131.173 -52.181 +SER 15 3.800 124.496 155.637 1.150 114.742 -58.222 +GLY 16 3.800 133.714 -107.716 0.000 0.000 0.000 +ARG 17 3.800 125.975 60.486 3.020 158.407 -157.060 +PRO 18 3.800 93.213 -7.315 1.345 120.256 -124.330 +PRO 19 3.800 114.137 53.417 1.345 138.293 166.182 +PRO 20 3.800 157.492 163.622 1.345 98.883 -135.233 +SER 21 3.800 102.299 156.163 1.150 110.001 -64.951 +D 22 3.800 84.778 -109.783 0.000 0.000 0.000 + +Geometry of the virtual chain. + Res d Theta Gamma Dsc Alpha Beta +D 1 0.000 0.000 0.000 0.000 0.000 0.000 +ASN 2 3.800 0.000 0.000 1.684 141.061 -111.055 +LEU 3 3.800 97.207 0.000 1.939 139.910 -133.590 +TYR 4 3.800 135.612 -92.068 2.484 132.064 -139.325 +ILE 5 3.800 122.045 15.968 1.776 130.982 -95.383 +GLN 6 3.800 85.716 73.628 2.240 151.201 -25.210 +TRP 7 3.800 130.361 84.668 2.605 99.569 -101.612 +LEU 8 3.800 127.508 23.599 1.939 167.759 163.067 +LYS 9 3.800 127.794 -138.041 2.541 145.254 -142.091 +ASP 10 3.800 84.024 2.472 1.709 99.255 -85.828 +GLY 11 3.800 124.339 -73.151 0.000 0.000 0.000 +GLY 12 3.800 110.127 -110.069 0.000 0.000 0.000 +PRO 13 3.800 124.912 68.868 1.345 131.126 -172.076 +SER 14 3.800 152.043 -65.728 1.150 142.110 -12.867 +SER 15 3.800 98.328 -22.594 1.150 124.414 -66.078 +GLY 16 3.800 130.647 56.683 0.000 0.000 0.000 +ARG 17 3.800 156.900 -176.422 3.020 149.918 -57.742 +PRO 18 3.800 105.471 60.744 1.345 133.392 -175.268 +PRO 19 3.800 152.392 -43.850 1.345 103.660 -107.993 +PRO 20 3.800 95.082 172.101 1.345 129.290 -145.537 +SER 21 3.800 131.656 -171.385 1.150 140.230 -56.813 +D 22 3.800 108.779 123.033 0.000 0.000 0.000 + +Geometry of the virtual chain. + Res d Theta Gamma Dsc Alpha Beta +D 1 0.000 0.000 0.000 0.000 0.000 0.000 +ASN 2 3.800 0.000 0.000 1.684 156.852 3.916 +LEU 3 3.800 89.634 0.000 1.939 153.158 -136.634 +TYR 4 3.800 130.988 -178.073 2.484 79.828 -90.247 +ILE 5 3.800 121.508 115.688 1.776 127.999 -78.682 +GLN 6 3.800 153.980 70.022 2.240 174.262 -32.080 +TRP 7 3.800 137.085 2.663 2.605 148.387 152.144 +LEU 8 3.800 120.772 -64.402 1.939 150.838 -69.973 +LYS 9 3.800 98.035 -8.723 2.541 140.915 -148.066 +ASP 10 3.800 115.197 57.266 1.709 153.254 -34.791 +GLY 11 3.800 88.200 178.588 0.000 0.000 0.000 +GLY 12 3.800 114.258 131.889 0.000 0.000 0.000 +PRO 13 3.800 124.574 50.932 1.345 108.066 -104.810 +SER 14 3.800 109.211 145.863 1.150 155.745 33.265 +SER 15 3.800 93.887 167.229 1.150 91.894 -56.946 +GLY 16 3.800 145.838 -166.153 0.000 0.000 0.000 +ARG 17 3.800 133.136 -169.113 3.020 159.310 -132.576 +PRO 18 3.800 110.867 -105.410 1.345 117.494 -117.220 +PRO 19 3.800 107.694 158.851 1.345 105.363 -122.131 +PRO 20 3.800 98.307 172.575 1.345 103.338 -115.813 +SER 21 3.800 100.729 -33.435 1.150 144.958 -80.510 +D 22 3.800 104.955 35.747 0.000 0.000 0.000 + +Geometry of the virtual chain. + Res d Theta Gamma Dsc Alpha Beta +D 1 0.000 0.000 0.000 0.000 0.000 0.000 +ASN 2 3.800 0.000 0.000 1.684 139.997 -95.929 +LEU 3 3.800 124.334 0.000 1.939 160.542 -140.011 +TYR 4 3.800 88.706 108.269 2.484 130.494 -7.934 +ILE 5 3.800 124.174 61.212 1.776 170.890 -146.883 +GLN 6 3.800 127.826 44.575 2.240 160.303 -139.772 +TRP 7 3.800 86.775 -145.688 2.605 93.844 -64.261 +LEU 8 3.800 147.347 152.666 1.939 159.654 -33.812 +LYS 9 3.800 123.117 92.517 2.541 130.701 17.549 +ASP 10 3.800 127.057 22.987 1.709 122.667 -81.669 +GLY 11 3.800 120.904 -154.401 0.000 0.000 0.000 +GLY 12 3.800 88.673 178.026 0.000 0.000 0.000 +PRO 13 3.800 123.292 73.842 1.345 121.341 -97.660 +SER 14 3.800 58.102 115.948 1.150 165.456 -135.667 +SER 15 3.800 95.441 171.113 1.150 99.581 -58.670 +GLY 16 3.800 118.600 79.187 0.000 0.000 0.000 +ARG 17 3.800 105.181 127.476 3.020 119.058 10.976 +PRO 18 3.800 130.457 -107.978 1.345 99.968 -112.533 +PRO 19 3.800 93.287 87.583 1.345 116.264 -126.961 +PRO 20 3.800 131.130 -90.521 1.345 138.942 164.477 +SER 21 3.800 156.093 -140.280 1.150 115.801 -152.146 +D 22 3.800 149.149 -18.080 0.000 0.000 0.000 +CG Processor: 0: bad sampling box. +CG Processor: 0: bad sampling box. +CG Processor: 0: bad sampling box. +CG Processor: 0: bad sampling box. +CG Processor: 0: bad sampling box. +CG Processor: 0: bad sampling box. +CG Processor: 0: bad sampling box. +CG Processor: 0: bad sampling box. +CG Processor: 0: bad sampling box. +CG Processor: 0: bad sampling box. +CG Processor: 0: bad sampling box. +CG Processor: 0: bad sampling box. +CG Processor: 0: bad sampling box. +CG Processor: 0: bad sampling box. +CG Processor: 0: bad sampling box. +CG Processor: 0: bad sampling box. +CG Processor: 0: bad sampling box. +CG Processor: 0: bad sampling box. +CG Processor: 0: bad sampling box. +CG Processor: 0: bad sampling box. +CG Processor: 0: bad sampling box. +CG Processor: 0: bad sampling box. +CG Processor: 0: bad sampling box. +CG Processor: 0: bad sampling box. +CG Processor: 0: bad sampling box. +CG Processor: 0: bad sampling box. +CG Processor: 0: bad sampling box. +CG Processor: 0: bad sampling box. +CG Processor: 0: bad sampling box. +CG Processor: 0: bad sampling box. +CG Processor: 0: bad sampling box. +CG Processor: 0: bad sampling box. +CG Processor: 0: bad sampling box. +CG Processor: 0: bad sampling box. +CG Processor: 0: bad sampling box. +CG Processor: 0: bad sampling box. +CG Processor: 0: bad sampling box. +CG Processor: 0: bad sampling box. +CG Processor: 0: bad sampling box. +CG Processor: 0: bad sampling box. +CG Processor: 0: bad sampling box. +CG Processor: 0: bad sampling box. +CG Processor: 0: bad sampling box. +CG Processor: 0: bad sampling box. +CG Processor: 0: bad sampling box. +CG Processor: 0: bad sampling box. +CG Processor: 0: bad sampling box. +CG Processor: 0: bad sampling box. +CG Processor: 0: bad sampling box. +CG Processor: 0: bad sampling box. +CG Processor: 0: bad sampling box. +CG Processor: 0: bad sampling box. +CG Processor: 0: bad sampling box. +CG Processor: 0: bad sampling box. +CG Processor: 0: bad sampling box. +CG Processor: 0: bad sampling box. +CG Processor: 0: bad sampling box. +CG Processor: 0: bad sampling box. +CG Processor: 0: bad sampling box. +CG Processor: 0: bad sampling box. +CG Processor: 0: bad sampling box. +CG Processor: 0: bad sampling box. +CG Processor: 0: bad sampling box. +CG Processor: 0: bad sampling box. +CG Processor: 0: bad sampling box. +CG Processor: 0: bad sampling box. +CG Processor: 0: bad sampling box. +CG Processor: 0: bad sampling box. +CG Processor: 0: bad sampling box. +CG Processor: 0: bad sampling box. +CG Processor: 0: bad sampling box. +CG Processor: 0: bad sampling box. +CG Processor: 0: bad sampling box. +CG Processor: 0: bad sampling box. +CG Processor: 0: bad sampling box. +CG Processor: 0: bad sampling box. +CG Processor: 0: bad sampling box. +CG Processor: 0: bad sampling box. +CG Processor: 0: bad sampling box. +CG Processor: 0: bad sampling box. +CG Processor: 0: bad sampling box. +CG Processor: 0: bad sampling box. +CG Processor: 0: bad sampling box. +CG Processor: 0: bad sampling box. +CG Processor: 0: bad sampling box. +CG Processor: 0: bad sampling box. +CG Processor: 0: bad sampling box. +CG Processor: 0: bad sampling box. +CG Processor: 0: bad sampling box. +CG Processor: 0: bad sampling box. +CG Processor: 0: bad sampling box. +CG Processor: 0: bad sampling box. +CG Processor: 0: bad sampling box. +CG Processor: 0: bad sampling box. +CG Processor: 0: bad sampling box. +CG Processor: 0: bad sampling box. +CG Processor: 0: bad sampling box. +CG Processor: 0: bad sampling box. +CG Processor: 0: bad sampling box. +CG Processor: 0: bad sampling box. +CG Processor: 0: bad sampling box. + Failed to generate conformation # 186 itrial= 188 + +Geometry of the virtual chain. + Res d Theta Gamma Dsc Alpha Beta +D 1 0.000 0.000 0.000 0.000 0.000 0.000 +ASN 2 3.800 0.000 0.000 1.684 119.793 -78.975 +LEU 3 3.800 99.935 0.000 1.939 147.523 -144.388 +TYR 4 3.800 95.873 6.255 2.484 133.545 -141.267 +ILE 5 3.800 97.014 46.797 1.776 172.658 -116.992 +GLN 6 3.800 114.914 -107.327 2.240 139.741 167.524 +TRP 7 3.800 135.078 17.433 2.605 124.027 -11.318 +LEU 8 3.800 126.517 74.413 1.939 130.763 -56.442 +LYS 9 3.800 143.539 171.406 2.541 119.967 -33.887 +ASP 10 3.800 163.221 -15.354 1.709 156.893 -45.815 +GLY 11 3.800 113.177 107.028 0.000 0.000 0.000 +GLY 12 3.800 105.937 -67.379 0.000 0.000 0.000 +PRO 13 3.800 140.242 169.869 1.345 125.716 -139.412 +SER 14 3.800 120.792 22.854 1.150 104.155 -59.904 +SER 15 3.800 83.627 -6.026 1.150 147.691 -51.449 +GLY 16 3.800 91.729 -122.793 0.000 0.000 0.000 +ARG 17 3.800 112.587 109.786 3.020 134.384 -30.422 +PRO 18 3.800 116.022 23.937 1.345 131.851 -159.547 +PRO 19 3.800 134.316 168.599 1.345 118.392 -126.887 +PRO 20 3.800 110.658 -46.704 1.345 121.136 -125.001 +SER 21 3.800 114.657 -176.499 1.150 97.219 -61.115 +D 22 3.800 95.961 136.920 0.000 0.000 0.000 + +Geometry of the virtual chain. + Res d Theta Gamma Dsc Alpha Beta +D 1 0.000 0.000 0.000 0.000 0.000 0.000 +ASN 2 3.800 0.000 0.000 1.684 143.560 -151.008 +LEU 3 3.800 127.168 0.000 1.939 168.721 -167.565 +TYR 4 3.800 69.768 46.798 2.484 118.865 -16.757 +ILE 5 3.800 122.905 63.852 1.776 146.665 -87.858 +GLN 6 3.800 67.746 -8.318 2.240 125.178 -143.901 +TRP 7 3.800 102.545 -161.778 2.605 95.289 -101.680 +LEU 8 3.800 139.307 36.856 1.939 133.699 -73.769 +LYS 9 3.800 133.244 -121.810 2.541 127.226 -122.610 +ASP 10 3.800 135.576 70.726 1.709 102.986 -79.301 +GLY 11 3.800 119.779 44.363 0.000 0.000 0.000 +GLY 12 3.800 117.361 -40.340 0.000 0.000 0.000 +PRO 13 3.800 101.279 100.592 1.345 102.593 -121.818 +SER 14 3.800 95.800 -88.542 1.150 85.147 -59.795 +SER 15 3.800 147.535 -121.309 1.150 152.005 -60.076 +GLY 16 3.800 117.470 -149.689 0.000 0.000 0.000 +ARG 17 3.800 113.301 -92.859 3.020 149.178 -71.077 +PRO 18 3.800 101.928 -46.544 1.345 100.608 -141.979 +PRO 19 3.800 103.684 -169.277 1.345 121.720 -125.597 +PRO 20 3.800 117.674 -51.639 1.345 122.034 -144.651 +SER 21 3.800 129.184 -160.702 1.150 139.906 -8.295 +D 22 3.800 91.128 95.763 0.000 0.000 0.000 + +Geometry of the virtual chain. + Res d Theta Gamma Dsc Alpha Beta +D 1 0.000 0.000 0.000 0.000 0.000 0.000 +ASN 2 3.800 0.000 0.000 1.684 111.801 -130.277 +LEU 3 3.800 110.539 0.000 1.939 153.015 -100.518 +TYR 4 3.800 100.181 15.090 2.484 136.437 -115.595 +ILE 5 3.800 123.282 5.279 1.776 141.446 -88.753 +GLN 6 3.800 94.103 -57.162 2.240 132.769 -97.453 +TRP 7 3.800 91.859 148.629 2.605 139.708 145.621 +LEU 8 3.800 138.994 31.592 1.939 147.699 -38.818 +LYS 9 3.800 125.216 55.024 2.541 148.800 -147.910 +ASP 10 3.800 97.992 -121.929 1.709 152.602 -2.749 +GLY 11 3.800 124.258 176.269 0.000 0.000 0.000 +GLY 12 3.800 132.642 -92.704 0.000 0.000 0.000 +PRO 13 3.800 109.417 -125.397 1.345 112.496 -114.213 +SER 14 3.800 114.011 -47.006 1.150 148.496 -101.882 +SER 15 3.800 105.541 99.825 1.150 152.838 -51.051 +GLY 16 3.800 88.102 89.592 0.000 0.000 0.000 +ARG 17 3.800 111.069 124.162 3.020 136.122 -78.991 +PRO 18 3.800 120.349 176.486 1.345 122.226 -131.487 +PRO 19 3.800 121.572 -148.817 1.345 104.237 -114.223 +PRO 20 3.800 81.248 -154.642 1.345 121.332 -158.629 +SER 21 3.800 150.493 -48.321 1.150 154.803 -105.513 +D 22 3.800 99.249 -25.344 0.000 0.000 0.000 + +Geometry of the virtual chain. + Res d Theta Gamma Dsc Alpha Beta +D 1 0.000 0.000 0.000 0.000 0.000 0.000 +ASN 2 3.800 0.000 0.000 1.684 139.832 -137.696 +LEU 3 3.800 93.011 0.000 1.939 145.003 -110.149 +TYR 4 3.800 76.572 -127.589 2.484 165.849 176.749 +ILE 5 3.800 87.441 -72.286 1.776 147.249 -66.985 +GLN 6 3.800 98.112 128.386 2.240 164.317 19.107 +TRP 7 3.800 143.613 138.190 2.605 101.682 -68.781 +LEU 8 3.800 150.901 -152.295 1.939 149.178 -144.827 +LYS 9 3.800 90.447 111.264 2.541 147.696 -135.407 +ASP 10 3.800 128.350 -152.465 1.709 142.578 -110.175 +GLY 11 3.800 80.532 46.799 0.000 0.000 0.000 +GLY 12 3.800 124.287 -46.762 0.000 0.000 0.000 +PRO 13 3.800 157.649 65.547 1.345 120.273 -141.404 +SER 14 3.800 133.234 -73.987 1.150 143.963 -40.648 +SER 15 3.800 118.040 -121.037 1.150 152.337 -30.465 +GLY 16 3.800 127.685 -95.220 0.000 0.000 0.000 +ARG 17 3.800 99.563 139.071 3.020 150.308 -5.268 +PRO 18 3.800 82.100 96.128 1.345 121.247 -135.548 +PRO 19 3.800 129.358 138.481 1.345 90.128 -123.010 +PRO 20 3.800 96.586 179.447 1.345 122.645 -141.584 +SER 21 3.800 136.827 41.229 1.150 151.256 -157.211 +D 22 3.800 95.868 -7.679 0.000 0.000 0.000 + +Geometry of the virtual chain. + Res d Theta Gamma Dsc Alpha Beta +D 1 0.000 0.000 0.000 0.000 0.000 0.000 +ASN 2 3.800 0.000 0.000 1.684 153.022 3.884 +LEU 3 3.800 126.672 0.000 1.939 125.359 -64.261 +TYR 4 3.800 149.066 177.469 2.484 124.980 -103.367 +ILE 5 3.800 134.074 -106.372 1.776 155.670 -77.795 +GLN 6 3.800 148.329 77.002 2.240 170.309 -94.753 +TRP 7 3.800 124.849 -11.921 2.605 152.195 -160.540 +LEU 8 3.800 107.903 94.889 1.939 127.555 -66.070 +LYS 9 3.800 141.961 -101.318 2.541 154.427 -123.828 +ASP 10 3.800 132.511 114.251 1.709 157.367 -34.711 +GLY 11 3.800 120.887 -48.417 0.000 0.000 0.000 +GLY 12 3.800 100.202 30.868 0.000 0.000 0.000 +PRO 13 3.800 138.995 128.556 1.345 133.423 -161.549 +SER 14 3.800 144.309 30.238 1.150 107.583 -67.440 +SER 15 3.800 107.272 79.878 1.150 104.877 -66.623 +GLY 16 3.800 90.980 106.124 0.000 0.000 0.000 +ARG 17 3.800 117.831 -96.512 3.020 135.737 -86.319 +PRO 18 3.800 109.981 81.493 1.345 139.992 -170.622 +PRO 19 3.800 137.988 117.676 1.345 121.771 -123.666 +PRO 20 3.800 119.480 -39.183 1.345 120.007 -129.358 +SER 21 3.800 117.567 114.641 1.150 147.459 -22.766 +D 22 3.800 95.451 -155.494 0.000 0.000 0.000 + +Geometry of the virtual chain. + Res d Theta Gamma Dsc Alpha Beta +D 1 0.000 0.000 0.000 0.000 0.000 0.000 +ASN 2 3.800 0.000 0.000 1.684 155.616 164.734 +LEU 3 3.800 72.264 0.000 1.939 158.950 -135.262 +TYR 4 3.800 104.529 56.193 2.484 136.579 -139.968 +ILE 5 3.800 105.963 88.465 1.776 141.211 -80.008 +GLN 6 3.800 104.111 48.484 2.240 125.834 -76.237 +TRP 7 3.800 88.819 132.925 2.605 156.385 -153.249 +LEU 8 3.800 126.288 47.087 1.939 141.554 -138.581 +LYS 9 3.800 87.327 -131.175 2.541 148.382 -28.067 +ASP 10 3.800 77.021 -90.691 1.709 121.859 -117.505 +GLY 11 3.800 119.493 -162.256 0.000 0.000 0.000 +GLY 12 3.800 123.562 -2.943 0.000 0.000 0.000 +PRO 13 3.800 167.479 -0.027 1.345 124.399 -134.578 +SER 14 3.800 126.046 -128.027 1.150 94.644 -71.376 +SER 15 3.800 114.226 -155.112 1.150 78.293 -46.616 +GLY 16 3.800 164.158 109.106 0.000 0.000 0.000 +ARG 17 3.800 125.409 27.101 3.020 155.034 106.148 +PRO 18 3.800 103.909 -41.290 1.345 98.833 -98.062 +PRO 19 3.800 86.922 32.877 1.345 128.764 -155.232 +PRO 20 3.800 139.075 41.118 1.345 122.901 -147.017 +SER 21 3.800 141.124 -176.110 1.150 99.576 -60.284 +D 22 3.800 155.244 41.139 0.000 0.000 0.000 + +Geometry of the virtual chain. + Res d Theta Gamma Dsc Alpha Beta +D 1 0.000 0.000 0.000 0.000 0.000 0.000 +ASN 2 3.800 0.000 0.000 1.684 171.938 -29.891 +LEU 3 3.800 78.359 0.000 1.939 161.372 -34.392 +TYR 4 3.800 84.763 65.233 2.484 106.675 -86.672 +ILE 5 3.800 125.247 46.615 1.776 160.413 -82.353 +GLN 6 3.800 122.344 -115.592 2.240 153.094 124.711 +TRP 7 3.800 133.886 -167.619 2.605 151.828 -148.617 +LEU 8 3.800 106.661 43.506 1.939 170.937 -136.142 +LYS 9 3.800 129.896 -67.834 2.541 148.218 -61.049 +ASP 10 3.800 125.990 -144.700 1.709 115.372 -80.107 +GLY 11 3.800 98.668 95.809 0.000 0.000 0.000 +GLY 12 3.800 167.932 -49.942 0.000 0.000 0.000 +PRO 13 3.800 92.978 9.261 1.345 119.142 -142.837 +SER 14 3.800 142.560 149.445 1.150 128.627 -76.578 +SER 15 3.800 115.478 34.020 1.150 86.450 -57.582 +GLY 16 3.800 155.564 53.053 0.000 0.000 0.000 +ARG 17 3.800 119.753 93.599 3.020 150.816 3.444 +PRO 18 3.800 102.990 -91.048 1.345 133.041 -157.642 +PRO 19 3.800 130.841 168.556 1.345 123.492 -135.431 +PRO 20 3.800 119.451 37.185 1.345 107.842 -103.522 +SER 21 3.800 108.164 91.270 1.150 101.160 -73.267 +D 22 3.800 107.621 -9.794 0.000 0.000 0.000 + +Geometry of the virtual chain. + Res d Theta Gamma Dsc Alpha Beta +D 1 0.000 0.000 0.000 0.000 0.000 0.000 +ASN 2 3.800 0.000 0.000 1.684 112.941 -82.704 +LEU 3 3.800 108.052 0.000 1.939 169.005 11.677 +TYR 4 3.800 80.452 63.278 2.484 157.103 10.534 +ILE 5 3.800 84.394 67.098 1.776 136.047 -105.501 +GLN 6 3.800 105.873 -92.758 2.240 155.056 165.426 +TRP 7 3.800 132.112 -3.042 2.605 87.029 -69.684 +LEU 8 3.800 146.980 -28.933 1.939 164.295 -125.529 +LYS 9 3.800 105.910 70.242 2.541 97.800 -156.268 +ASP 10 3.800 147.985 -52.301 1.709 137.890 -96.379 +GLY 11 3.800 107.123 108.165 0.000 0.000 0.000 +GLY 12 3.800 143.471 -126.999 0.000 0.000 0.000 +PRO 13 3.800 123.807 -99.217 1.345 124.555 -128.940 +SER 14 3.800 126.335 -65.247 1.150 131.149 -58.369 +SER 15 3.800 140.037 71.320 1.150 101.733 -63.511 +GLY 16 3.800 124.696 2.440 0.000 0.000 0.000 +ARG 17 3.800 123.815 -28.258 3.020 154.107 110.514 +PRO 18 3.800 89.279 108.097 1.345 124.556 -129.083 +PRO 19 3.800 120.332 3.031 1.345 123.981 -138.970 +PRO 20 3.800 138.286 139.193 1.345 117.678 -130.087 +SER 21 3.800 120.653 115.989 1.150 165.326 -71.535 +D 22 3.800 102.410 129.489 0.000 0.000 0.000 + +Geometry of the virtual chain. + Res d Theta Gamma Dsc Alpha Beta +D 1 0.000 0.000 0.000 0.000 0.000 0.000 +ASN 2 3.800 0.000 0.000 1.684 111.664 -83.692 +LEU 3 3.800 89.655 0.000 1.939 155.441 -140.781 +TYR 4 3.800 100.652 -1.093 2.484 126.508 -4.970 +ILE 5 3.800 122.476 170.897 1.776 162.204 -75.459 +GLN 6 3.800 130.197 -152.723 2.240 145.970 -136.094 +TRP 7 3.800 128.050 -177.770 2.605 143.899 -149.128 +LEU 8 3.800 141.475 126.775 1.939 157.583 -101.837 +LYS 9 3.800 101.576 56.579 2.541 153.117 -72.887 +ASP 10 3.800 121.283 -142.829 1.709 137.787 -127.137 +GLY 11 3.800 79.192 18.110 0.000 0.000 0.000 +GLY 12 3.800 129.673 -60.682 0.000 0.000 0.000 +PRO 13 3.800 137.936 -143.299 1.345 126.181 -155.087 +SER 14 3.800 144.840 27.696 1.150 88.895 -66.999 +SER 15 3.800 118.113 -176.375 1.150 134.835 -88.654 +GLY 16 3.800 138.077 -8.642 0.000 0.000 0.000 +ARG 17 3.800 120.507 -50.016 3.020 118.500 3.358 +PRO 18 3.800 116.328 20.652 1.345 123.068 -149.195 +PRO 19 3.800 148.077 68.334 1.345 131.388 -147.977 +PRO 20 3.800 127.151 172.453 1.345 125.898 -129.031 +SER 21 3.800 115.785 126.499 1.150 91.981 -58.263 +D 22 3.800 143.032 -45.580 0.000 0.000 0.000 + +Geometry of the virtual chain. + Res d Theta Gamma Dsc Alpha Beta +D 1 0.000 0.000 0.000 0.000 0.000 0.000 +ASN 2 3.800 0.000 0.000 1.684 162.951 -17.452 +LEU 3 3.800 91.834 0.000 1.939 154.658 -104.854 +TYR 4 3.800 136.782 -20.511 2.484 145.979 -146.534 +ILE 5 3.800 121.396 -43.847 1.776 145.991 -66.761 +GLN 6 3.800 105.096 -112.855 2.240 135.541 -33.310 +TRP 7 3.800 91.262 -40.754 2.605 150.241 152.075 +LEU 8 3.800 107.409 -49.784 1.939 100.930 -25.835 +LYS 9 3.800 162.243 121.176 2.541 148.037 -160.244 +ASP 10 3.800 120.685 137.839 1.709 159.013 -156.152 +GLY 11 3.800 61.962 49.124 0.000 0.000 0.000 +GLY 12 3.800 140.385 73.017 0.000 0.000 0.000 +PRO 13 3.800 153.747 -82.621 1.345 101.728 -99.217 +SER 14 3.800 78.092 -130.739 1.150 166.493 -19.236 +SER 15 3.800 90.457 156.175 1.150 85.787 -38.793 +GLY 16 3.800 159.698 119.136 0.000 0.000 0.000 +ARG 17 3.800 122.617 99.279 3.020 149.296 -103.091 +PRO 18 3.800 105.049 98.683 1.345 113.623 -122.620 +PRO 19 3.800 122.545 -46.847 1.345 124.231 -130.977 +PRO 20 3.800 115.223 -101.860 1.345 147.738 147.407 +SER 21 3.800 160.179 -54.770 1.150 156.455 -119.269 +D 22 3.800 136.943 143.772 0.000 0.000 0.000 + +Geometry of the virtual chain. + Res d Theta Gamma Dsc Alpha Beta +D 1 0.000 0.000 0.000 0.000 0.000 0.000 +ASN 2 3.800 0.000 0.000 1.684 139.674 -108.799 +LEU 3 3.800 95.007 0.000 1.939 132.500 -54.997 +TYR 4 3.800 125.085 122.518 2.484 139.003 -130.593 +ILE 5 3.800 121.251 -115.955 1.776 163.728 -100.447 +GLN 6 3.800 130.582 24.208 2.240 145.047 -80.382 +TRP 7 3.800 104.809 -122.515 2.605 133.107 -24.286 +LEU 8 3.800 132.403 126.657 1.939 150.942 -19.068 +LYS 9 3.800 88.669 -66.319 2.541 149.236 -99.092 +ASP 10 3.800 112.922 46.026 1.709 123.623 -87.833 +GLY 11 3.800 103.584 -173.201 0.000 0.000 0.000 +GLY 12 3.800 100.823 -94.221 0.000 0.000 0.000 +PRO 13 3.800 113.527 59.561 1.345 152.013 110.085 +SER 14 3.800 165.650 -108.969 1.150 101.891 -66.567 +SER 15 3.800 103.713 162.897 1.150 102.683 -73.406 +GLY 16 3.800 122.262 -69.758 0.000 0.000 0.000 +ARG 17 3.800 120.513 -143.526 3.020 130.240 -124.620 +PRO 18 3.800 112.900 168.657 1.345 106.692 -104.876 +PRO 19 3.800 82.470 2.173 1.345 97.061 -116.318 +PRO 20 3.800 91.275 120.284 1.345 95.895 -119.148 +SER 21 3.800 83.778 -6.253 1.150 149.280 -71.880 +D 22 3.800 90.040 49.293 0.000 0.000 0.000 + +Geometry of the virtual chain. + Res d Theta Gamma Dsc Alpha Beta +D 1 0.000 0.000 0.000 0.000 0.000 0.000 +ASN 2 3.800 0.000 0.000 1.684 109.155 -92.302 +LEU 3 3.800 116.028 0.000 1.939 143.863 -105.189 +TYR 4 3.800 90.098 129.704 2.484 112.705 -97.799 +ILE 5 3.800 113.709 99.034 1.776 136.441 -92.998 +GLN 6 3.800 84.886 77.086 2.240 153.201 -112.620 +TRP 7 3.800 91.798 -122.018 2.605 130.972 -179.627 +LEU 8 3.800 121.701 138.417 1.939 158.216 -114.685 +LYS 9 3.800 104.909 -74.197 2.541 142.567 -45.562 +ASP 10 3.800 147.888 0.176 1.709 124.472 -126.466 +GLY 11 3.800 88.935 -29.628 0.000 0.000 0.000 +GLY 12 3.800 123.520 -158.865 0.000 0.000 0.000 +PRO 13 3.800 115.777 105.838 1.345 121.374 -123.989 +SER 14 3.800 119.271 -64.689 1.150 138.387 -88.322 +SER 15 3.800 98.077 -107.733 1.150 95.873 -71.973 +GLY 16 3.800 137.646 45.407 0.000 0.000 0.000 +ARG 17 3.800 122.787 54.664 3.020 118.989 -56.541 +PRO 18 3.800 105.866 -47.539 1.345 101.670 -117.179 +PRO 19 3.800 94.183 112.550 1.345 118.929 -136.844 +PRO 20 3.800 142.276 44.099 1.345 100.401 -100.840 +SER 21 3.800 75.631 136.480 1.150 92.815 -61.131 +D 22 3.800 149.599 37.192 0.000 0.000 0.000 + +Geometry of the virtual chain. + Res d Theta Gamma Dsc Alpha Beta +D 1 0.000 0.000 0.000 0.000 0.000 0.000 +ASN 2 3.800 0.000 0.000 1.684 145.618 -125.733 +LEU 3 3.800 113.631 0.000 1.939 155.409 -24.771 +TYR 4 3.800 85.782 24.483 2.484 112.745 -81.837 +ILE 5 3.800 151.831 -113.629 1.776 165.715 -115.018 +GLN 6 3.800 117.409 -87.361 2.240 152.078 -63.687 +TRP 7 3.800 114.452 93.827 2.605 118.360 -22.480 +LEU 8 3.800 126.300 -134.031 1.939 145.585 -15.359 +LYS 9 3.800 125.750 13.654 2.541 153.150 -173.447 +ASP 10 3.800 108.680 -66.360 1.709 119.152 -92.625 +GLY 11 3.800 145.380 -123.927 0.000 0.000 0.000 +GLY 12 3.800 120.415 26.475 0.000 0.000 0.000 +PRO 13 3.800 109.696 -44.027 1.345 106.531 -104.107 +SER 14 3.800 121.466 133.096 1.150 158.643 -144.217 +SER 15 3.800 100.739 109.804 1.150 100.294 -65.507 +GLY 16 3.800 97.093 84.223 0.000 0.000 0.000 +ARG 17 3.800 120.367 -44.547 3.020 134.382 -63.795 +PRO 18 3.800 136.573 98.655 1.345 103.541 -84.772 +PRO 19 3.800 98.653 83.455 1.345 120.243 -130.590 +PRO 20 3.800 131.766 -177.887 1.345 120.336 -130.865 +SER 21 3.800 121.240 131.720 1.150 87.006 -53.481 +D 22 3.800 155.406 132.523 0.000 0.000 0.000 + +Geometry of the virtual chain. + Res d Theta Gamma Dsc Alpha Beta +D 1 0.000 0.000 0.000 0.000 0.000 0.000 +ASN 2 3.800 0.000 0.000 1.684 132.567 -133.855 +LEU 3 3.800 93.615 0.000 1.939 142.290 -20.776 +TYR 4 3.800 115.221 87.984 2.484 144.895 -7.216 +ILE 5 3.800 86.342 12.593 1.776 161.899 -134.767 +GLN 6 3.800 125.085 48.089 2.240 139.336 -102.195 +TRP 7 3.800 98.748 -131.429 2.605 152.483 -171.011 +LEU 8 3.800 115.863 137.648 1.939 167.438 -72.779 +LYS 9 3.800 119.620 149.547 2.541 153.063 -101.207 +ASP 10 3.800 91.739 -65.203 1.709 103.603 -78.872 +GLY 11 3.800 148.233 -87.999 0.000 0.000 0.000 +GLY 12 3.800 81.968 107.323 0.000 0.000 0.000 +PRO 13 3.800 124.247 -7.345 1.345 122.538 -129.356 +SER 14 3.800 118.935 -108.788 1.150 153.839 -35.421 +SER 15 3.800 99.800 6.756 1.150 177.465 -73.812 +GLY 16 3.800 107.486 -21.294 0.000 0.000 0.000 +ARG 17 3.800 129.467 -99.125 3.020 154.579 -179.409 +PRO 18 3.800 135.092 10.234 1.345 115.574 -116.245 +PRO 19 3.800 118.581 -115.679 1.345 124.738 -137.273 +PRO 20 3.800 122.305 101.982 1.345 114.774 -124.632 +SER 21 3.800 99.219 -5.341 1.150 108.326 -72.610 +D 22 3.800 95.075 115.443 0.000 0.000 0.000 + +Geometry of the virtual chain. + Res d Theta Gamma Dsc Alpha Beta +D 1 0.000 0.000 0.000 0.000 0.000 0.000 +ASN 2 3.800 0.000 0.000 1.684 120.928 -103.677 +LEU 3 3.800 127.372 0.000 1.939 156.480 -79.659 +TYR 4 3.800 124.955 -16.754 2.484 122.139 -18.204 +ILE 5 3.800 121.796 100.032 1.776 165.901 -133.672 +GLN 6 3.800 130.149 106.167 2.240 147.114 -83.214 +TRP 7 3.800 68.207 -112.207 2.605 143.830 -8.870 +LEU 8 3.800 115.929 -67.981 1.939 144.812 177.788 +LYS 9 3.800 124.192 144.067 2.541 138.014 -153.974 +ASP 10 3.800 104.391 135.548 1.709 150.888 -115.542 +GLY 11 3.800 95.404 -165.048 0.000 0.000 0.000 +GLY 12 3.800 106.569 9.388 0.000 0.000 0.000 +PRO 13 3.800 121.544 161.669 1.345 92.906 -122.962 +SER 14 3.800 93.253 25.925 1.150 150.901 -54.353 +SER 15 3.800 109.349 11.785 1.150 96.657 -61.077 +GLY 16 3.800 127.838 -114.209 0.000 0.000 0.000 +ARG 17 3.800 124.794 18.198 3.020 125.467 -25.754 +PRO 18 3.800 161.375 -62.139 1.345 118.181 -132.235 +PRO 19 3.800 124.074 74.531 1.345 87.040 -82.947 +PRO 20 3.800 66.084 -43.699 1.345 122.521 -139.880 +SER 21 3.800 127.446 148.253 1.150 142.701 -103.864 +D 22 3.800 123.921 47.767 0.000 0.000 0.000 + 200 conformations have been generated randomly. + Exitted from make_ranvar nconfr= 200 + Initial conformation 1 + 103.3369 104.3102 128.9945 101.3525 108.6383 104.0061 110.7378 112.9625 + 92.6822 103.1821 126.7175 115.6151 130.3635 101.5872 133.9914 109.4891 + 118.5172 109.5992 124.0601 126.1044 + 100.7179 -150.6321 48.7404 26.1968 -177.7047 1.9818 -7.9384 -61.0437 + 43.1620 -144.4047 118.9633 92.4803 -126.4988 102.1400 -111.6563 156.4407 + 18.7561 58.4587 -132.9460 0.0000 + 117.4334 149.0621 89.7900 162.5870 155.6873 147.3397 156.2056 157.8735 + 136.2628 0.0000 0.0000 129.6425 144.2926 139.4376 0.0000 142.8191 + 125.8851 115.7826 126.9167 99.3598 + -123.2817 -30.3261 -93.9726 -113.2104 -104.2558 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133.4606 107.9513 106.5797 92.4444 121.3287 88.7903 119.3331 + 112.0649 124.1892 144.1888 125.1141 + 130.7139 83.6026 66.2933 168.6760 69.7274 -64.1046 55.4431 -17.3523 + 153.1552 -146.6800 158.3188 -8.1832 89.1380 73.0692 147.3801 38.5810 + -92.3458 72.7168 -161.2954 0.0000 + 139.6036 137.8415 138.1334 144.8317 135.9511 140.4142 148.3825 150.0112 + 133.5867 0.0000 0.0000 101.3402 158.6709 101.4281 0.0000 133.6873 + 119.9900 136.1681 134.2243 144.9878 + -145.5972 -94.3005 -147.9624 -84.0568 -34.2557 -123.1694 -49.3087 -120.1606 + -77.7219 0.0000 0.0000 -119.5615 -68.6616 -69.9745 0.0000 -29.6693 + -122.7464 -144.8265 -172.4889 -3.3900 + Initial conformation 4 + 113.2191 119.8628 115.2832 120.1091 122.2163 136.2768 114.0839 103.3859 + 116.7608 99.1863 117.2582 154.9830 101.8359 110.4134 133.4842 135.7042 + 157.6074 96.9337 61.3896 164.1000 + -102.5931 -150.2958 -115.0698 103.8131 61.9717 116.0131 24.6264 -157.2675 + 176.4240 172.8361 -85.9005 -108.7247 55.0279 107.3909 -27.9780 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114.2580 124.5740 109.2107 93.8871 145.8383 133.1358 110.8666 + 107.6942 98.3070 100.7292 104.9553 + -178.0730 115.6878 70.0220 2.6627 -64.4022 -8.7235 57.2659 178.5880 + 131.8891 50.9320 145.8626 167.2291 -166.1532 -169.1135 -105.4105 158.8515 + 172.5749 -33.4348 35.7470 0.0000 + 156.8523 153.1576 79.8282 127.9995 174.2619 148.3865 150.8382 140.9153 + 153.2540 0.0000 0.0000 108.0658 155.7446 91.8940 0.0000 159.3097 + 117.4943 105.3627 103.3384 144.9584 + 3.9160 -136.6341 -90.2468 -78.6819 -32.0803 152.1441 -69.9728 -148.0663 + -34.7910 0.0000 0.0000 -104.8100 33.2651 -56.9461 0.0000 -132.5761 + -117.2197 -122.1306 -115.8134 -80.5103 + Initial conformation 185 + 124.3336 88.7064 124.1741 127.8260 86.7745 147.3466 123.1169 127.0566 + 120.9038 88.6730 123.2921 58.1020 95.4415 118.6004 105.1814 130.4571 + 93.2873 131.1297 156.0927 149.1486 + 108.2692 61.2116 44.5746 -145.6884 152.6656 92.5171 22.9868 -154.4011 + 178.0263 73.8415 115.9478 171.1133 79.1875 127.4758 -107.9775 87.5830 + -90.5208 -140.2799 -18.0804 0.0000 + 139.9974 160.5424 130.4936 170.8902 160.3030 93.8442 159.6537 130.7005 + 122.6668 0.0000 0.0000 121.3406 165.4558 99.5809 0.0000 119.0576 + 99.9676 116.2642 138.9422 115.8008 + -95.9289 -140.0113 -7.9342 -146.8826 -139.7724 -64.2609 -33.8118 17.5490 + -81.6694 0.0000 0.0000 -97.6598 -135.6672 -58.6702 0.0000 10.9760 + -112.5331 -126.9605 164.4771 -152.1455 + Initial conformation 186 + 99.9351 95.8731 97.0142 114.9139 135.0785 126.5168 143.5386 163.2214 + 113.1769 105.9372 140.2421 120.7924 83.6265 91.7290 112.5869 116.0216 + 134.3164 110.6585 114.6571 95.9609 + 6.2549 46.7968 -107.3269 17.4333 74.4127 171.4065 -15.3542 107.0280 + -67.3788 169.8690 22.8536 -6.0259 -122.7935 109.7864 23.9368 168.5994 + -46.7039 -176.4994 136.9200 0.0000 + 119.7931 147.5234 133.5454 172.6580 139.7407 124.0268 130.7626 119.9674 + 156.8926 0.0000 0.0000 125.7158 104.1549 147.6908 0.0000 134.3836 + 131.8509 118.3920 121.1361 97.2189 + -78.9746 -144.3883 -141.2665 -116.9924 167.5242 -11.3180 -56.4424 -33.8866 + -45.8153 0.0000 0.0000 -139.4121 -59.9036 -51.4493 0.0000 -30.4216 + -159.5468 -126.8868 -125.0008 -61.1148 + Initial conformation 187 + 127.1675 69.7684 122.9052 67.7458 102.5453 139.3071 133.2443 135.5758 + 119.7788 117.3609 101.2792 95.7995 147.5347 117.4703 113.3006 101.9278 + 103.6842 117.6738 129.1838 91.1283 + 46.7982 63.8523 -8.3181 -161.7783 36.8555 -121.8103 70.7257 44.3626 + -40.3395 100.5922 -88.5419 -121.3091 -149.6888 -92.8586 -46.5441 -169.2771 + -51.6393 -160.7017 95.7629 0.0000 + 143.5602 168.7207 118.8648 146.6655 125.1780 95.2889 133.6994 127.2258 + 102.9863 0.0000 0.0000 102.5932 85.1468 152.0046 0.0000 149.1785 + 100.6082 121.7202 122.0344 139.9056 + -151.0077 -167.5647 -16.7568 -87.8578 -143.9012 -101.6798 -73.7688 -122.6103 + -79.3009 0.0000 0.0000 -121.8178 -59.7949 -60.0758 0.0000 -71.0772 + -141.9794 -125.5968 -144.6510 -8.2951 + Initial conformation 188 + 110.5392 100.1808 123.2824 94.1031 91.8593 138.9935 125.2155 97.9923 + 124.2582 132.6418 109.4174 114.0108 105.5409 88.1017 111.0692 120.3493 + 121.5721 81.2484 150.4933 99.2487 + 15.0901 5.2790 -57.1617 148.6285 31.5919 55.0236 -121.9289 176.2688 + -92.7043 -125.3967 -47.0061 99.8246 89.5924 124.1618 176.4861 -148.8166 + -154.6420 -48.3206 -25.3436 0.0000 + 111.8008 153.0154 136.4367 141.4460 132.7694 139.7078 147.6995 148.7999 + 152.6024 0.0000 0.0000 112.4955 148.4955 152.8385 0.0000 136.1219 + 122.2263 104.2372 121.3322 154.8034 + -130.2772 -100.5177 -115.5951 -88.7528 -97.4526 145.6208 -38.8182 -147.9102 + -2.7494 0.0000 0.0000 -114.2126 -101.8819 -51.0506 0.0000 -78.9911 + -131.4870 -114.2231 -158.6289 -105.5130 + Initial conformation 189 + 93.0106 76.5722 87.4414 98.1118 143.6134 150.9006 90.4473 128.3505 + 80.5321 124.2870 157.6491 133.2342 118.0401 127.6846 99.5629 82.0999 + 129.3582 96.5859 136.8266 95.8679 + -127.5895 -72.2863 128.3857 138.1900 -152.2948 111.2636 -152.4647 46.7993 + -46.7621 65.5474 -73.9872 -121.0369 -95.2203 139.0715 96.1280 138.4812 + 179.4466 41.2290 -7.6788 0.0000 + 139.8318 145.0029 165.8488 147.2493 164.3167 101.6823 149.1775 147.6957 + 142.5778 0.0000 0.0000 120.2733 143.9631 152.3374 0.0000 150.3075 + 121.2472 90.1281 122.6448 151.2561 + -137.6961 -110.1489 176.7489 -66.9853 19.1073 -68.7806 -144.8271 -135.4072 + -110.1746 0.0000 0.0000 -141.4037 -40.6475 -30.4650 0.0000 -5.2684 + -135.5478 -123.0101 -141.5841 -157.2111 + Initial conformation 190 + 126.6723 149.0657 134.0736 148.3292 124.8491 107.9027 141.9611 132.5111 + 120.8872 100.2016 138.9947 144.3089 107.2716 90.9802 117.8309 109.9806 + 137.9877 119.4797 117.5672 95.4512 + 177.4692 -106.3719 77.0024 -11.9209 94.8886 -101.3181 114.2511 -48.4172 + 30.8679 128.5564 30.2376 79.8783 106.1243 -96.5123 81.4928 117.6765 + -39.1829 114.6408 -155.4937 0.0000 + 153.0221 125.3593 124.9804 155.6696 170.3089 152.1951 127.5552 154.4271 + 157.3668 0.0000 0.0000 133.4227 107.5827 104.8769 0.0000 135.7373 + 139.9918 121.7710 120.0071 147.4589 + 3.8844 -64.2611 -103.3668 -77.7953 -94.7531 -160.5401 -66.0696 -123.8283 + -34.7115 0.0000 0.0000 -161.5493 -67.4405 -66.6230 0.0000 -86.3194 + -170.6223 -123.6664 -129.3579 -22.7656 + Initial conformation 191 + 72.2642 104.5287 105.9634 104.1109 88.8188 126.2877 87.3268 77.0206 + 119.4927 123.5623 167.4789 126.0464 114.2263 164.1576 125.4089 103.9088 + 86.9218 139.0754 141.1239 155.2440 + 56.1932 88.4650 48.4839 132.9247 47.0872 -131.1749 -90.6915 -162.2559 + -2.9426 -0.0266 -128.0274 -155.1117 109.1057 27.1010 -41.2896 32.8772 + 41.1183 -176.1097 41.1394 0.0000 + 155.6165 158.9502 136.5786 141.2110 125.8344 156.3847 141.5540 148.3819 + 121.8587 0.0000 0.0000 124.3995 94.6443 78.2928 0.0000 155.0335 + 98.8334 128.7639 122.9008 99.5763 + 164.7337 -135.2624 -139.9676 -80.0083 -76.2368 -153.2487 -138.5810 -28.0665 + -117.5047 0.0000 0.0000 -134.5776 -71.3755 -46.6164 0.0000 106.1479 + -98.0619 -155.2321 -147.0168 -60.2836 + Initial conformation 192 + 78.3593 84.7634 125.2470 122.3436 133.8864 106.6613 129.8964 125.9898 + 98.6679 167.9320 92.9781 142.5603 115.4777 155.5644 119.7530 102.9901 + 130.8410 119.4511 108.1638 107.6214 + 65.2331 46.6146 -115.5920 -167.6190 43.5063 -67.8341 -144.6999 95.8085 + -49.9421 9.2608 149.4449 34.0199 53.0526 93.5986 -91.0479 168.5557 + 37.1851 91.2698 -9.7940 0.0000 + 171.9382 161.3718 106.6750 160.4132 153.0939 151.8282 170.9374 148.2181 + 115.3718 0.0000 0.0000 119.1421 128.6274 86.4496 0.0000 150.8158 + 133.0413 123.4920 107.8416 101.1599 + -29.8910 -34.3916 -86.6722 -82.3532 124.7105 -148.6173 -136.1421 -61.0492 + -80.1071 0.0000 0.0000 -142.8374 -76.5775 -57.5823 0.0000 3.4436 + -157.6418 -135.4309 -103.5221 -73.2673 + Initial conformation 193 + 108.0520 80.4522 84.3938 105.8732 132.1121 146.9796 105.9096 147.9847 + 107.1226 143.4706 123.8069 126.3347 140.0372 124.6964 123.8153 89.2788 + 120.3321 138.2858 120.6529 102.4097 + 63.2782 67.0982 -92.7581 -3.0419 -28.9333 70.2419 -52.3007 108.1652 + -126.9985 -99.2169 -65.2467 71.3197 2.4395 -28.2576 108.0970 3.0306 + 139.1930 115.9890 129.4893 0.0000 + 112.9408 169.0054 157.1029 136.0466 155.0564 87.0294 164.2954 97.8003 + 137.8904 0.0000 0.0000 124.5547 131.1492 101.7333 0.0000 154.1068 + 124.5564 123.9813 117.6775 165.3256 + -82.7042 11.6770 10.5338 -105.5011 165.4265 -69.6838 -125.5295 -156.2682 + -96.3786 0.0000 0.0000 -128.9403 -58.3690 -63.5111 0.0000 110.5137 + -129.0828 -138.9697 -130.0865 -71.5346 + Initial conformation 194 + 89.6550 100.6515 122.4764 130.1974 128.0497 141.4751 101.5762 121.2834 + 79.1922 129.6726 137.9360 144.8398 118.1130 138.0774 120.5071 116.3279 + 148.0773 127.1508 115.7855 143.0324 + -1.0927 170.8973 -152.7233 -177.7697 126.7751 56.5785 -142.8290 18.1105 + -60.6820 -143.2988 27.6964 -176.3746 -8.6420 -50.0163 20.6523 68.3338 + 172.4526 126.4994 -45.5797 0.0000 + 111.6637 155.4414 126.5079 162.2044 145.9698 143.8989 157.5825 153.1174 + 137.7867 0.0000 0.0000 126.1812 88.8951 134.8345 0.0000 118.5005 + 123.0682 131.3882 125.8978 91.9807 + -83.6918 -140.7808 -4.9702 -75.4585 -136.0938 -149.1282 -101.8365 -72.8868 + -127.1369 0.0000 0.0000 -155.0872 -66.9986 -88.6540 0.0000 3.3576 + -149.1949 -147.9770 -129.0306 -58.2633 + Initial conformation 195 + 91.8339 136.7825 121.3961 105.0959 91.2619 107.4086 162.2432 120.6853 + 61.9620 140.3851 153.7473 78.0921 90.4573 159.6984 122.6169 105.0492 + 122.5454 115.2231 160.1792 136.9430 + -20.5114 -43.8472 -112.8545 -40.7539 -49.7841 121.1758 137.8390 49.1244 + 73.0168 -82.6206 -130.7390 156.1750 119.1365 99.2790 98.6833 -46.8472 + -101.8605 -54.7695 143.7719 0.0000 + 162.9511 154.6576 145.9791 145.9906 135.5406 150.2409 100.9299 148.0366 + 159.0128 0.0000 0.0000 101.7280 166.4928 85.7872 0.0000 149.2956 + 113.6230 124.2307 147.7379 156.4550 + -17.4519 -104.8542 -146.5338 -66.7606 -33.3102 152.0750 -25.8348 -160.2441 + -156.1525 0.0000 0.0000 -99.2165 -19.2360 -38.7935 0.0000 -103.0914 + -122.6196 -130.9767 147.4068 -119.2693 + Initial conformation 196 + 95.0068 125.0847 121.2511 130.5821 104.8093 132.4027 88.6686 112.9217 + 103.5835 100.8226 113.5271 165.6501 103.7130 122.2618 120.5129 112.9002 + 82.4700 91.2747 83.7779 90.0401 + 122.5176 -115.9545 24.2085 -122.5147 126.6567 -66.3192 46.0262 -173.2011 + -94.2211 59.5610 -108.9693 162.8967 -69.7584 -143.5261 168.6572 2.1735 + 120.2840 -6.2534 49.2926 0.0000 + 139.6736 132.5000 139.0027 163.7282 145.0471 133.1065 150.9421 149.2365 + 123.6230 0.0000 0.0000 152.0127 101.8909 102.6828 0.0000 130.2398 + 106.6916 97.0605 95.8954 149.2798 + -108.7988 -54.9971 -130.5929 -100.4474 -80.3817 -24.2861 -19.0681 -99.0916 + -87.8328 0.0000 0.0000 110.0849 -66.5672 -73.4065 0.0000 -124.6200 + -104.8760 -116.3175 -119.1481 -71.8803 + Initial conformation 197 + 116.0277 90.0977 113.7086 84.8856 91.7983 121.7008 104.9093 147.8882 + 88.9345 123.5200 115.7771 119.2711 98.0767 137.6463 122.7871 105.8660 + 94.1829 142.2762 75.6309 149.5986 + 129.7036 99.0345 77.0861 -122.0185 138.4165 -74.1965 0.1756 -29.6281 + -158.8645 105.8379 -64.6892 -107.7327 45.4068 54.6642 -47.5392 112.5500 + 44.0991 136.4800 37.1920 0.0000 + 109.1552 143.8628 112.7051 136.4412 153.2006 130.9720 158.2160 142.5665 + 124.4719 0.0000 0.0000 121.3741 138.3866 95.8728 0.0000 118.9889 + 101.6699 118.9293 100.4014 92.8154 + -92.3018 -105.1894 -97.7993 -92.9981 -112.6200 -179.6266 -114.6846 -45.5625 + -126.4660 0.0000 0.0000 -123.9894 -88.3216 -71.9731 0.0000 -56.5414 + -117.1786 -136.8438 -100.8395 -61.1314 + Initial conformation 198 + 113.6312 85.7821 151.8314 117.4087 114.4519 126.3000 125.7500 108.6802 + 145.3801 120.4152 109.6961 121.4659 100.7392 97.0933 120.3675 136.5732 + 98.6528 131.7655 121.2395 155.4058 + 24.4833 -113.6291 -87.3610 93.8271 -134.0309 13.6545 -66.3596 -123.9272 + 26.4748 -44.0268 133.0960 109.8035 84.2232 -44.5468 98.6547 83.4551 + -177.8867 131.7200 132.5228 0.0000 + 145.6176 155.4086 112.7455 165.7147 152.0776 118.3599 145.5846 153.1500 + 119.1523 0.0000 0.0000 106.5310 158.6430 100.2942 0.0000 134.3824 + 103.5411 120.2430 120.3359 87.0061 + -125.7328 -24.7709 -81.8372 -115.0176 -63.6873 -22.4797 -15.3592 -173.4474 + -92.6251 0.0000 0.0000 -104.1065 -144.2173 -65.5075 0.0000 -63.7948 + -84.7717 -130.5903 -130.8653 -53.4814 + Initial conformation 199 + 93.6150 115.2210 86.3419 125.0849 98.7478 115.8631 119.6202 91.7395 + 148.2329 81.9679 124.2469 118.9353 99.8002 107.4860 129.4667 135.0919 + 118.5813 122.3049 99.2187 95.0749 + 87.9838 12.5931 48.0892 -131.4294 137.6476 149.5468 -65.2031 -87.9987 + 107.3226 -7.3455 -108.7879 6.7556 -21.2939 -99.1247 10.2343 -115.6788 + 101.9822 -5.3408 115.4427 0.0000 + 132.5671 142.2905 144.8955 161.8989 139.3357 152.4826 167.4377 153.0630 + 103.6032 0.0000 0.0000 122.5379 153.8389 177.4650 0.0000 154.5789 + 115.5739 124.7383 114.7736 108.3259 + -133.8548 -20.7763 -7.2162 -134.7673 -102.1954 -171.0108 -72.7787 -101.2068 + -78.8720 0.0000 0.0000 -129.3560 -35.4213 -73.8125 0.0000 -179.4091 + -116.2450 -137.2732 -124.6321 -72.6097 + Initial conformation 200 + 127.3721 124.9552 121.7959 130.1486 68.2069 115.9289 124.1924 104.3906 + 95.4035 106.5695 121.5441 93.2532 109.3493 127.8381 124.7940 161.3753 + 124.0742 66.0838 127.4461 123.9211 + -16.7537 100.0319 106.1668 -112.2073 -67.9805 144.0672 135.5483 -165.0480 + 9.3884 161.6690 25.9246 11.7848 -114.2089 18.1977 -62.1392 74.5312 + -43.6995 148.2530 47.7666 0.0000 + 120.9284 156.4802 122.1388 165.9009 147.1140 143.8298 144.8116 138.0143 + 150.8884 0.0000 0.0000 92.9063 150.9012 96.6571 0.0000 125.4670 + 118.1814 87.0398 122.5214 142.7005 + -103.6769 -79.6592 -18.2036 -133.6724 -83.2139 -8.8696 177.7876 -153.9740 + -115.5418 0.0000 0.0000 -122.9622 -54.3532 -61.0765 0.0000 -25.7541 + -132.2350 -82.9466 -139.8802 -103.8640 + Calling FEEDIN NCONF 200 + Time for first bank min. 1.61718750000000 + AVEDIF 1768.73465411444 + make_var : nseed= 20 ntry= 420 + Time for make trial 1 0.08 +Nonsetup time 2.07 sec, Eval/s = 66119.00 +Time for iter 1 2.07 sec, Eval/s = 66119.00 + UPDATING 389 + -1 e 1 22 etot 1.3528E+20 mv 6 0 8 68 0 + 4 e 173 20 etot -5.9614E+01 mv 6 0 1 41 0 + 4 e 168 30 etot -4.5018E+01 mv 6 0 8 98 0 c 128 785.0 3.3 + -1 e 1 34 etot 1.3528E+20 mv 6 0 9 47 0 + 4 e 173 32 etot -4.6858E+01 mv 6 0 9 174 0 f 200 877.2 78.9 + 4 e 246 5 etot -4.9070E+01 mv 6 0 49 70 0 c 70 210.8 0.2 + 4 e 234 29 etot -2.9851E+01 mv 6 0 8 197 0 f 199 1038.1 17.4 + 4 e 232 17 etot -5.9909E+01 mv 6 0 1 171 0 + 4 e 231 18 etot -5.8359E+01 mv 6 0 1 71 0 + 4 e 245 9 etot -4.0416E+01 mv 6 0 49 155 0 c 155 740.8 2.0 + 4 e 245 11 etot -6.9251E+01 mv 6 0 1 53 0 c 1 6.8 0.0 + 4 e 354 1 etot -4.8177E+01 mv 6 0 49 132 0 + 4 e 304 3 etot -4.4682E+01 mv 6 0 49 78 0 f 198 875.4 27.0 + 4 e 418 4 etot -5.2953E+01 mv 6 0 49 2 0 c 49 546.2 1.8 + 4 e 52 40 etot -5.0038E+01 mv 6 0 9 62 0 c 62 0.7 0.0 + 4 e 133 36 etot -5.0925E+01 mv 6 0 9 28 0 f 197 1050.4 30.3 + 4 e 172 24 etot -4.5633E+01 mv 6 0 8 137 0 c 137 283.0 4.7 + 4 e 321 28 etot -6.0737E+01 mv 6 0 8 107 0 c 8 177.4 0.7 + 4 e 157 35 etot -4.6109E+01 mv 6 0 9 130 0 c 130 484.1 4.5 + 4 e 384 16 etot -6.9412E+01 mv 6 0 1 188 0 c 1 105.5 0.2 + 4 e 516 6 etot -6.5076E+01 mv 6 0 49 5 0 f 196 937.9 44.4 + 4 e 405 8 etot -5.1605E+01 mv 6 0 49 61 0 + 4 e 237 41 etot -5.6451E+01 mv 6 0 7 100 0 c 100 791.1 11.7 + 4 e 406 10 etot -4.5590E+01 mv 6 0 49 63 0 f 195 899.8 24.2 + 4 e 492 12 etot -5.6539E+01 mv 6 0 1 115 0 c 60 751.1 6.4 + 4 e 164 39 etot -4.7128E+01 mv 6 0 9 187 0 + 4 e 369 19 etot -5.6537E+01 mv 6 0 1 96 0 + 4 e 434 21 etot -4.9506E+01 mv 6 0 8 113 0 + 4 e 190 25 etot -5.1373E+01 mv 6 0 8 52 0 + 4 e 204 44 etot -4.7842E+01 mv 6 0 7 155 0 c 155 676.6 7.4 + 4 e 370 38 etot -4.9850E+01 mv 6 0 9 157 0 + 4 e 644 2 etot -4.1372E+01 mv 6 0 49 126 0 + 4 e 304 45 etot -5.3895E+01 mv 6 0 7 76 0 c 76 662.2 5.6 + 4 e 467 33 etot -5.6266E+01 mv 6 0 9 171 0 + 4 e 158 56 etot -5.3274E+01 mv 6 0 5 43 0 c 43 125.2 1.3 + 4 e 659 13 etot -6.8409E+01 mv 6 0 1 118 0 f 194 881.0 44.5 + 4 e 264 50 etot -5.3372E+01 mv 6 0 7 62 0 f 193 892.4 28.6 + 4 e 719 14 etot -6.1561E+01 mv 6 0 1 144 0 f 192 928.3 36.1 + 4 e 654 37 etot -5.9686E+01 mv 6 0 9 144 0 f 191 879.8 33.8 + 4 e 389 47 etot -6.6697E+01 mv 6 0 7 190 0 f 190 895.2 40.3 + 4 e 448 43 etot -5.0502E+01 mv 6 0 7 96 0 + 4 e 335 46 etot -6.6656E+01 mv 6 0 7 4 0 f 189 962.6 39.8 + 4 e 88 70 etot -4.5359E+01 mv 6 0 10 103 0 c 103 89.0 0.8 + 4 e 567 42 etot -4.4115E+01 mv 6 0 7 57 0 f 188 1083.1 15.1 + 4 e 311 52 etot -5.8428E+01 mv 6 0 5 112 0 f 187 858.9 28.9 + 4 e 326 61 etot -5.9390E+01 mv 6 0 10 4 0 c 10 67.5 0.3 + 4 e 202 64 etot -4.6380E+01 mv 6 0 10 120 0 f 199 925.2 16.5 + 4 e 394 49 etot -4.8316E+01 mv 6 0 7 66 0 + -1 e 1 79 etot 1.3528E+20 mv 6 0 15 50 0 + 4 e 437 51 etot -3.8657E+01 mv 6 0 5 179 0 f 186 946.7 8.7 + 4 e 227 69 etot -4.9974E+01 mv 6 0 10 159 0 c 159 691.8 12.2 + 4 e 378 63 etot -4.8236E+01 mv 6 0 10 133 0 + 4 e 79 80 etot -4.1123E+01 mv 6 0 15 132 0 c 132 3.4 0.0 + 4 e 384 65 etot -6.2101E+01 mv 6 0 10 11 0 c 11 800.4 3.1 + 4 e 414 26 etot -5.5210E+01 mv 6 0 8 57 0 + -1 e 1 85 etot 1.3528E+20 mv 6 0 3 65 0 + 4 e 177 78 etot -4.7603E+01 mv 6 0 15 137 0 c 137 135.4 2.0 + 4 e 128 81 etot -4.8524E+01 mv 6 0 3 119 0 c 119 209.9 5.7 + 4 e 522 55 etot -4.7913E+01 mv 6 0 5 40 0 + 4 e 287 71 etot -5.0957E+01 mv 6 0 15 92 0 + 4 e 579 59 etot -5.1779E+01 mv 6 0 5 22 0 + 4 e 235 77 etot -4.5511E+01 mv 6 0 15 192 0 f 185 935.9 14.9 + 4 e 418 57 etot -6.1324E+01 mv 6 0 5 89 0 + 4 e 545 58 etot -4.9395E+01 mv 6 0 5 112 0 + 4 e 601 53 etot -5.2062E+01 mv 6 0 5 135 0 c 135 623.3 11.1 + 4 e 343 74 etot -5.8116E+01 mv 6 0 15 63 0 c 15 43.1 0.2 + 4 e 150 87 etot -5.8988E+01 mv 6 0 3 11 0 + 4 e 663 54 etot -6.4609E+01 mv 6 0 5 21 0 c 5 450.3 3.3 + 4 e 243 83 etot -4.2237E+01 mv 6 0 3 157 0 c 157 517.6 4.2 + 4 e 547 67 etot -5.7480E+01 mv 6 0 10 30 0 + 4 e 151 95 etot -4.9250E+01 mv 6 0 11 10 0 f 184 935.2 18.4 + 4 e 531 27 etot -5.8130E+01 mv 6 0 8 45 0 + 4 e 259 92 etot -4.5858E+01 mv 6 0 11 145 0 c 145 434.7 6.1 + 4 e 500 76 etot -5.3792E+01 mv 6 0 15 87 0 + 4 e 568 72 etot -5.7711E+01 mv 6 0 15 187 0 + 4 e 232 96 etot -5.9234E+01 mv 6 0 11 42 0 c 184 318.7 10.0 + 4 e 528 75 etot -4.9411E+01 mv 6 0 15 165 0 + 4 e 201 98 etot -5.9274E+01 mv 6 0 11 128 0 c 184 168.5 0.0 + 4 e 391 73 etot -5.5107E+01 mv 6 0 15 121 0 + 4 e 347 88 etot -5.7094E+01 mv 6 0 3 42 0 + 4 e 442 82 etot -6.2428E+01 mv 6 0 3 95 0 f 183 880.5 31.5 + 4 e 305 60 etot -6.5575E+01 mv 6 0 5 190 0 c 5 310.0 1.0 + 4 e 598 62 etot -5.6332E+01 mv 6 0 10 181 0 + 4 e 104 108 etot -5.0618E+01 mv 6 0 6 55 0 c 55 3.9 0.0 + 4 e 851 66 etot -6.6111E+01 mv 6 0 10 167 0 c 167 745.0 30.8 + 4 e 444 91 etot -5.4625E+01 mv 6 0 11 175 0 + 4 e 531 89 etot -5.5972E+01 mv 6 0 3 92 0 c 51 845.4 5.2 + 4 e 396 84 etot -5.8647E+01 mv 6 0 3 142 0 + 4 e 507 90 etot -4.0816E+01 mv 6 0 3 192 0 + 4 e 332 102 etot -5.0478E+01 mv 6 0 6 140 0 c 140 783.2 10.1 + 4 e 284 104 etot -4.7002E+01 mv 6 0 6 109 0 c 150 765.2 7.6 + -1 e 1 122 etot 1.3528E+20 mv 6 0 20 38 0 + 4 e 405 94 etot -5.9874E+01 mv 6 0 11 182 0 c 184 340.5 0.6 + 4 e 129 117 etot -4.4098E+01 mv 6 0 17 133 0 + 4 e 555 93 etot -5.4064E+01 mv 6 0 11 84 0 f 182 992.9 22.9 + 4 e 685 68 etot -6.4025E+01 mv 6 0 10 138 0 c 10 617.8 4.6 + 4 e 466 100 etot -4.1641E+01 mv 6 0 11 178 0 f 181 1029.0 10.2 + 4 e 515 97 etot -5.2026E+01 mv 6 0 11 1 0 + 4 e 144 118 etot -4.7195E+01 mv 6 0 17 90 0 + 4 e 489 101 etot -5.3418E+01 mv 6 0 6 133 0 f 180 863.6 21.6 + 4 e 299 115 etot -5.7487E+01 mv 6 0 17 46 0 + 4 e 290 116 etot -2.2711E+01 mv 6 0 17 197 0 + 4 e 414 106 etot -4.9604E+01 mv 6 0 6 31 0 f 179 1041.2 17.5 + 4 e 230 120 etot -3.4974E+01 mv 6 0 17 164 0 f 178 938.0 2.8 + 4 e 148 113 etot -5.5829E+01 mv 6 0 17 106 0 + 4 e 196 126 etot -5.2217E+01 mv 6 0 20 140 0 + 4 e 525 111 etot -5.6047E+01 mv 6 0 17 51 0 c 54 669.7 5.4 + 4 e 201 130 etot -5.6237E+01 mv 6 0 20 181 0 + 4 e 568 107 etot -5.1486E+01 mv 6 0 6 133 0 f 177 969.2 18.4 + 4 e 746 99 etot -6.3489E+01 mv 6 0 11 161 0 c 184 838.7 3.6 + 4 e 562 48 etot -5.6361E+01 mv 6 0 7 75 0 + 4 e 189 132 etot -4.6140E+01 mv 6 0 21 170 0 + 4 e 336 123 etot -5.1708E+01 mv 6 0 20 186 0 + 4 e 263 128 etot -5.5984E+01 mv 6 0 20 48 0 + 4 e 539 110 etot -6.6242E+01 mv 6 0 6 12 0 c 6 418.9 5.2 + 4 e 241 131 etot -4.3381E+01 mv 6 0 21 179 0 f 176 999.0 10.1 + 4 e 360 121 etot -4.2982E+01 mv 6 0 20 33 0 + 4 e 338 124 etot -6.0102E+01 mv 6 0 20 81 0 c 20 398.8 3.2 + 4 e 637 105 etot -6.1467E+01 mv 6 0 6 200 0 c 24 617.9 5.1 + 4 e 320 129 etot -5.5755E+01 mv 6 0 20 10 0 + 4 e 77 141 etot -4.3452E+01 mv 6 0 24 121 0 c 121 91.6 1.0 + 4 e 184 137 etot -5.6767E+01 mv 6 0 21 66 0 c 21 5.2 0.0 + -1 e 1 153 etot 1.3528E+20 mv 6 0 29 55 0 + 4 e 398 125 etot -5.2363E+01 mv 6 0 20 155 0 + 4 e 684 109 etot -6.2938E+01 mv 6 0 6 68 0 f 175 1024.7 29.2 + 4 e 255 135 etot -5.1179E+01 mv 6 0 21 66 0 + 4 e 569 112 etot -6.3483E+01 mv 6 0 17 23 0 c 23 485.4 7.1 + 4 e 189 140 etot -5.8984E+01 mv 6 0 21 10 0 + 4 e 153 149 etot -5.6582E+01 mv 6 0 24 56 0 + 4 e 162 147 etot -4.9149E+01 mv 6 0 24 125 0 + 4 e 194 146 etot -4.5683E+01 mv 6 0 24 48 0 f 174 907.5 11.8 + 4 e 243 139 etot -4.7115E+01 mv 6 0 21 170 0 + 4 e 406 133 etot -4.2385E+01 mv 6 0 21 185 0 f 173 956.3 8.1 + 4 e 242 144 etot -5.0304E+01 mv 6 0 24 138 0 f 172 932.8 15.7 + 4 e 356 127 etot -4.0211E+01 mv 6 0 20 94 0 f 178 1226.1 5.2 + 4 e 446 134 etot -5.9427E+01 mv 6 0 21 97 0 f 171 961.8 24.4 + 4 e 229 150 etot -5.6115E+01 mv 6 0 24 110 0 c 101 779.1 11.5 + 4 e 103 162 etot -4.4369E+01 mv 6 0 39 108 0 c 108 3.2 0.0 + 4 e 229 154 etot -4.6577E+01 mv 6 0 29 137 0 + 4 e 587 114 etot -5.5464E+01 mv 6 0 17 76 0 f 170 867.5 20.3 + 4 e 267 156 etot -4.6781E+01 mv 6 0 29 116 0 + 4 e 292 152 etot -5.4255E+01 mv 6 0 29 174 0 f 169 1128.2 19.0 + 4 e 214 159 etot -4.1391E+01 mv 6 0 29 90 0 + 4 e 477 138 etot -6.3650E+01 mv 6 0 21 59 0 c 171 827.8 4.2 + 4 e 159 142 etot -4.8821E+01 mv 6 0 24 136 0 + 4 e 188 136 etot -6.0689E+01 mv 6 0 21 137 0 c 21 369.9 3.9 + 4 e 416 151 etot -6.1226E+01 mv 6 0 29 76 0 c 29 501.8 6.4 + 4 e 277 164 etot -4.4360E+01 mv 6 0 39 109 0 c 109 40.5 0.0 + 4 e 511 145 etot -6.0227E+01 mv 6 0 24 62 0 + 4 e 517 148 etot -5.7329E+01 mv 6 0 24 107 0 + 4 e 488 86 etot -5.7708E+01 mv 6 0 3 184 0 + 4 e 289 165 etot -6.1567E+01 mv 6 0 39 68 0 f 168 906.9 26.4 + 4 e 572 143 etot -5.5307E+01 mv 6 0 24 23 0 c 160 630.5 17.8 + 4 e 331 158 etot -5.0676E+01 mv 6 0 29 76 0 + 4 e 637 119 etot -5.9260E+01 mv 6 0 17 104 0 f 166 886.1 23.3 + 4 e 337 161 etot -5.3635E+01 mv 6 0 39 83 0 c 39 255.8 0.3 + 4 e 444 103 etot -6.1032E+01 mv 6 0 6 193 0 + 4 e 377 169 etot -4.9813E+01 mv 6 0 39 3 0 + 4 e 295 174 etot -2.8405E+01 mv 6 0 30 163 0 + 4 e 414 167 etot -5.8691E+01 mv 6 0 39 107 0 f 165 925.5 22.6 + 4 e 151 184 etot -5.4926E+01 mv 6 0 35 90 0 c 35 350.1 1.1 + 4 e 154 185 etot -6.0015E+01 mv 6 0 35 114 0 c 35 542.0 5.1 + 4 e 204 179 etot -4.8473E+01 mv 6 0 30 58 0 + 4 e 425 170 etot -5.3377E+01 mv 6 0 39 98 0 + 4 e 233 181 etot -3.7470E+01 mv 6 0 35 196 0 + 4 e 79 190 etot -3.5282E+01 mv 6 0 35 196 0 + 4 e 140 187 etot -4.4264E+01 mv 6 0 35 94 0 + 4 e 549 163 etot -5.6712E+01 mv 6 0 39 76 0 c 39 544.2 3.1 + 4 e 639 155 etot -5.9676E+01 mv 6 0 29 34 0 + 4 e 107 189 etot -4.3945E+01 mv 6 0 35 177 0 f 164 1014.9 7.2 + 4 e 303 171 etot -4.2438E+01 mv 6 0 30 40 0 + 4 e 164 186 etot -4.7098E+01 mv 6 0 35 19 0 + 4 e 683 157 etot -5.6179E+01 mv 6 0 29 165 0 + 4 e 337 178 etot -3.6745E+01 mv 6 0 30 69 0 + 4 e 451 173 etot -5.8194E+01 mv 6 0 30 40 0 c 30 194.8 3.4 + 4 e 659 160 etot -5.9434E+01 mv 6 0 29 67 0 f 163 855.1 22.6 + 4 e 132 177 etot -5.9349E+01 mv 6 0 30 35 0 + 4 e 357 183 etot -4.7296E+01 mv 6 0 35 138 0 + 4 e 591 168 etot -6.1497E+01 mv 6 0 39 8 0 c 8 352.6 0.8 + 4 e 437 172 etot -6.0238E+01 mv 6 0 30 191 0 f 162 987.8 23.4 + 4 e 231 194 etot -5.2493E+01 mv 6 0 41 119 0 + -1 e 1 212 etot 1.3528E+20 mv 2 0 -8 -177 0 + 4 e 210 198 etot -4.9724E+01 mv 6 0 41 60 0 f 161 971.2 12.5 + 4 e 241 195 etot -5.0672E+01 mv 6 0 41 58 0 c 58 228.5 0.4 + 4 e 277 193 etot -5.5362E+01 mv 6 0 41 40 0 c 41 715.3 2.9 + 4 e 144 203 etot -4.1177E+01 mv 2 0 -150 -151 0 + 4 e 197 205 etot -3.6698E+01 mv 2 0 -154 -169 0 + 4 e 127 208 etot -4.0499E+01 mv 2 0 -142 -103 0 c 142 284.9 0.2 + 4 e 141 209 etot -4.1871E+01 mv 2 0 -144 -125 0 c 144 274.2 2.0 + 4 e 613 175 etot -5.9410E+01 mv 6 0 30 142 0 c 30 348.6 1.2 + 4 e 209 188 etot -5.5657E+01 mv 6 0 35 93 0 + 4 e 247 207 etot -4.2264E+01 mv 2 0 -81 -49 0 + -1 e 1 223 etot 1.3528E+20 mv 2 0 -3 -66 0 + 4 e 583 166 etot -5.7066E+01 mv 6 0 39 3 0 c 39 714.2 0.4 + 4 e 234 210 etot -4.2035E+01 mv 2 0 -137 -146 0 + 4 e 266 182 etot -4.3069E+01 mv 6 0 35 167 0 f 158 1114.5 5.2 + 4 e 439 192 etot -6.2004E+01 mv 6 0 41 180 0 c 41 693.7 6.6 + 4 e 156 216 etot -3.0461E+01 mv 2 0 -153 -147 0 + 4 e 361 204 etot -5.2419E+01 mv 2 0 -63 -181 0 c 63 641.3 2.5 + 4 e 226 214 etot -3.8819E+01 mv 2 0 -157 -188 0 + 4 e 448 197 etot -5.2168E+01 mv 6 0 41 118 0 + 4 e 467 200 etot -4.5765E+01 mv 6 0 41 139 0 f 156 1035.0 7.6 + 4 e 718 180 etot -6.4792E+01 mv 6 0 30 96 0 c 30 765.4 5.4 + 4 e 190 217 etot -3.3666E+01 mv 2 0 -179 -56 0 + 4 e 242 221 etot -3.9474E+01 mv 2 0 -159 -27 0 + 4 e 290 218 etot -4.0451E+01 mv 2 0 -119 -90 0 f 154 929.6 2.0 + 4 e 348 213 etot -4.8446E+01 mv 2 0 -50 -22 0 + 4 e 615 191 etot -5.5105E+01 mv 6 0 41 85 0 + -1 e 1 239 etot 1.3528E+20 mv 2 0 -37 -42 0 + 4 e 195 220 etot -4.6555E+01 mv 2 0 -38 -117 0 + 4 e 226 226 etot -3.5810E+01 mv 2 0 -165 -124 0 + 4 e 577 199 etot -5.0342E+01 mv 6 0 41 89 0 + 4 e 576 201 etot -5.1844E+01 mv 2 0 -95 -163 0 c 95 595.4 5.5 + -1 e 1 244 etot 1.3528E+20 mv 2 0 -163 -189 0 + 4 e 465 176 etot -3.2721E+01 mv 6 0 30 163 0 + 4 e 207 231 etot -5.3096E+01 mv 2 0 -65 -74 0 c 65 317.5 3.2 + 4 e 553 206 etot -5.1171E+01 mv 2 0 -49 -132 0 c 195 593.7 5.6 + 4 e 201 234 etot -3.9511E+01 mv 2 0 -168 -5 0 c 149 666.1 0.0 + 4 e 682 196 etot -5.7613E+01 mv 6 0 41 111 0 + 4 e 266 233 etot -4.9519E+01 mv 2 0 -40 -79 0 + 4 e 314 219 etot -4.2138E+01 mv 2 0 -49 -29 0 f 186 871.1 3.5 + 4 e 488 202 etot -6.1799E+01 mv 2 0 -50 -10 0 c 179 835.0 12.2 + 4 e 442 224 etot -4.8453E+01 mv 2 0 -99 -45 0 c 99 634.8 2.9 + 4 e 588 215 etot -4.3610E+01 mv 2 0 -94 -92 0 + 4 e 672 211 etot -3.2139E+01 mv 2 0 -178 -49 0 + 4 e 289 243 etot -4.3674E+01 mv 2 0 -24 -90 0 c 154 739.1 3.2 + 4 e 228 250 etot -4.1916E+01 mv 2 0 -137 -24 0 + 4 e 515 228 etot -3.6966E+01 mv 2 0 -165 -151 0 + 4 e 370 236 etot -5.4303E+01 mv 2 0 -13 -79 0 + 4 e 343 242 etot -4.8268E+01 mv 2 0 -37 -127 0 f 153 947.1 9.5 + 4 e 203 251 etot -3.3286E+01 mv 2 0 -135 -13 0 + 4 e 552 230 etot -5.0417E+01 mv 2 0 -33 -53 0 + 4 e 599 229 etot -4.2258E+01 mv 2 0 -87 -53 0 + 4 e 458 222 etot -5.3111E+01 mv 2 0 -179 -52 0 f 152 1079.3 13.9 + 4 e 335 249 etot -5.1558E+01 mv 2 0 -191 -86 0 f 151 896.7 12.2 + 4 e 644 232 etot -6.0079E+01 mv 2 0 -24 -122 0 + 4 e 201 258 etot -5.4594E+01 mv 2 0 -53 -116 0 c 53 574.3 3.9 + 4 e 514 245 etot -4.8767E+01 mv 2 0 -171 -124 0 + 4 e 568 237 etot -5.4186E+01 mv 2 0 -22 -185 0 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f 143 871.0 9.1 + 4 e 427 256 etot -4.1168E+01 mv 2 0 -176 -45 0 f 141 1266.3 0.9 + 4 e 542 255 etot -5.9488E+01 mv 2 0 -69 -60 0 c 69 389.9 10.2 + 4 e 134 284 etot -4.2154E+01 mv 2 0 -98 -118 0 + 4 e 481 264 etot -4.7340E+01 mv 2 0 -113 -141 0 c 113 494.1 3.5 + 4 e 188 283 etot -4.7630E+01 mv 2 0 -44 -157 0 + 4 e 237 281 etot -5.7928E+01 mv 2 0 -17 -140 0 c 17 203.9 0.2 + 4 e 284 279 etot -4.4181E+01 mv 2 0 -106 -92 0 + 4 e 524 252 etot -5.5233E+01 mv 2 0 -88 -102 0 c 88 744.0 8.2 + 4 e 639 246 etot -4.0779E+01 mv 2 0 -188 -175 0 f 142 1048.4 0.3 + 4 e 598 263 etot -4.9991E+01 mv 2 0 -110 -40 0 f 139 901.6 9.4 + 4 e 353 274 etot -9.4190E+00 mv 2 0 -178 -34 0 + 4 e 832 227 etot -5.1636E+01 mv 2 0 -166 -160 0 f 138 1005.9 10.9 + 4 e 157 291 etot -3.9852E+01 mv 2 0 -128 -90 0 + 4 e 522 272 etot -4.7863E+01 mv 2 0 -96 -191 0 c 96 566.3 1.7 + 4 e 150 293 etot -1.9717E+01 mv 2 0 -187 -168 0 + 4 e 452 276 etot -3.8583E+01 mv 2 0 -176 -7 0 + 4 e 448 277 etot -5.0825E+01 mv 2 0 -72 -20 0 c 72 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0 6 0 0 + 4 e 217 397 etot -5.0565E+01 mv 1 0 -56 -145 0 + 4 e 636 377 etot -5.7896E+01 mv 1 0 -75 -137 0 f 186 869.8 15.8 + 4 e 312 395 etot -4.3679E+01 mv 1 0 -107 -148 0 + 4 e 233 405 etot -6.0398E+01 mv 0 0 7 0 0 c 7 19.0 0.0 + 4 e 399 396 etot -2.3933E+01 mv 1 0 -194 -14 0 +## N0 total= 5 close= 2 far= 0 %acc 40.0 +## N1 total= 88 close= 19 far= 9 %acc 31.8 +## N2 total= 100 close= 29 far= 19 %acc 48.0 +## N3 total= 0 close= 0 far= 0 %acc 0.0 +## N4 total= 0 close= 0 far= 0 %acc 0.0 +## N5 total= 0 close= 0 far= 0 %acc 0.0 +## N6 total= 196 close= 64 far= 43 %acc 54.6 +## N7 total= 0 close= 0 far= 0 %acc 0.0 +## N8 total= 0 close= 0 far= 0 %acc 0.0 +## N9 total= 0 close= 0 far= 0 %acc 0.0 +##N10 total= 0 close= 0 far= 0 %acc 0.0 +##N11 total= 0 close= 0 far= 0 %acc 0.0 +##N12 total= 0 close= 0 far= 0 %acc 0.0 +##N13 total= 0 close= 0 far= 0 %acc 0.0 +##N14 total= 0 close= 0 far= 0 %acc 0.0 +##N15 total= 0 close= 0 far= 0 %acc 0.0 +##N16 total= 0 close= 0 far= 0 %acc 0.0 +##N17 total= 0 close= 0 far= 0 %acc 0.0 +##N18 total= 0 close= 0 far= 0 %acc 0.0 + Time for refresh 1 0.54 + make_var : nseed= 20 ntry= 420 + Time for make trial 2 0.04 +Nonsetup time 4.42 sec, Eval/s = 64504.30 +Time for iter 2 2.35 sec, Eval/s = 63080.36 + UPDATING 420 + 4 e 100 415 etot -5.6366E+01 mv 0 0 24 0 0 + 4 e 117 416 etot -5.4831E+01 mv 0 0 29 0 0 + 4 e 122 417 etot -5.3318E+01 mv 0 0 39 0 0 + 4 e 640 400 etot -5.4178E+01 mv 1 0 -129 -44 0 f 133 983.8 12.0 + 4 e 131 418 etot -5.4756E+01 mv 0 0 30 0 0 + 4 e 58 419 etot -5.3794E+01 mv 0 0 35 0 0 + 4 e 279 7 etot -4.6245E+01 mv 6 0 49 7 0 + 4 e 149 420 etot -5.2512E+01 mv 0 0 41 0 0 + 4 e 106 414 etot -5.6767E+01 mv 0 0 21 0 0 + 4 e 115 412 etot -5.7692E+01 mv 0 0 17 0 0 + 4 e 150 410 etot -5.8988E+01 mv 0 0 11 0 0 + 4 e 513 392 etot -5.0810E+01 mv 1 0 -12 -148 0 + -1 e 1 7 etot 1.3528E+20 mv 6 1 120 93 0 + 4 e 444 399 etot -3.7486E+01 mv 1 0 -191 -171 0 + 4 e 678 373 etot -5.3523E+01 mv 1 0 -174 -164 0 f 157 1044.6 11.3 + 4 e 382 15 etot -6.8139E+01 mv 6 0 1 119 0 + 4 e 149 413 etot -5.6914E+01 mv 0 0 20 0 0 + 4 e 105 407 etot -5.9070E+01 mv 0 0 10 0 0 + 4 e 777 391 etot -5.5092E+01 mv 1 0 -122 -123 0 f 122 847.2 12.8 + 4 e 421 408 etot -5.8116E+01 mv 0 0 15 0 0 + -1 e 1 12 etot 1.3528E+20 mv 6 1 125 19 0 + 4 e 420 387 etot -4.1402E+01 mv 1 0 -185 -123 0 + 4 e 613 374 etot -5.1875E+01 mv 1 0 -84 -30 0 c 84 706.6 4.3 + 4 e 478 394 etot -4.5795E+01 mv 1 0 -130 -159 0 + 4 e 324 393 etot -5.8402E+01 mv 1 0 -70 -177 0 c 70 699.4 6.8 + -1 e 1 20 etot 1.3528E+20 mv 6 1 125 123 0 + 4 e 166 404 etot -6.0021E+01 mv 0 0 9 0 0 c 9 3.9 0.0 + 4 e 126 409 etot -6.2137E+01 mv 0 0 3 0 0 c 3 3.4 0.0 + 4 e 553 359 etot -4.7444E+01 mv 1 0 -177 -17 0 f 173 1046.0 5.1 + 4 e 165 406 etot -6.1326E+01 mv 0 0 5 0 0 + 4 e 490 383 etot -5.4621E+01 mv 1 0 -30 -9 0 f 129 936.6 12.2 + 4 e 326 380 etot -4.6781E+01 mv 1 0 -104 -161 0 c 104 376.4 1.5 + 4 e 173 31 etot -5.9654E+01 mv 6 0 9 53 0 + -1 e 1 16 etot 1.3528E+20 mv 6 1 125 88 0 + -1 e 1 34 etot 1.3533E+20 mv 6 1 194 98 0 + 4 e 181 15 etot -7.1136E+01 mv 6 1 125 121 0 + 4 e 195 1 etot -3.9987E+01 mv 6 1 120 134 0 + -1 e 1 37 etot 1.3528E+20 mv 6 1 194 30 0 + 4 e 290 4 etot -5.5507E+01 mv 6 1 120 197 0 c 197 197.4 4.6 + 4 e 218 22 etot -4.8529E+01 mv 6 1 167 106 0 + 4 e 231 8 etot -4.3542E+01 mv 6 1 120 189 0 + 4 e 235 9 etot -4.4550E+01 mv 6 1 120 32 0 + -1 e 1 42 etot 1.3528E+20 mv 6 1 2 42 0 + 4 e 322 23 etot -5.3152E+01 mv 6 1 167 197 0 c 158 819.6 10.1 + 4 e 248 35 etot -5.9591E+01 mv 6 1 194 164 0 + 4 e 212 25 etot -6.5566E+01 mv 6 1 167 83 0 + 4 e 416 13 etot -7.2401E+01 mv 6 1 125 104 0 c 125 286.9 0.7 + 4 e 340 3 etot -4.5009E+01 mv 6 1 120 130 0 c 120 96.7 0.3 + 4 e 194 39 etot -6.6280E+01 mv 6 1 194 153 0 + 4 e 460 5 etot -4.5036E+01 mv 6 1 120 132 0 f 118 850.6 2.2 + 4 e 541 6 etot -5.4450E+01 mv 6 1 120 24 0 + 4 e 186 41 etot -5.6881E+01 mv 6 1 2 174 0 c 65 499.3 3.8 + 4 e 422 11 etot -7.2236E+01 mv 6 1 125 163 0 f 124 881.8 29.3 + 4 e 397 14 etot 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167 173 0 + 4 e 336 31 etot -6.8515E+01 mv 6 1 194 113 0 c 194 46.6 0.1 + 4 e 405 32 etot -5.9945E+01 mv 6 1 194 88 0 c 88 422.9 4.7 + 4 e 485 33 etot -5.9077E+01 mv 6 1 194 40 0 c 40 648.5 5.9 + -1 e 1 73 etot 1.3528E+20 mv 6 1 30 141 0 + 4 e 504 44 etot -5.9415E+01 mv 6 1 2 119 0 c 119 280.0 10.9 + 8 e 17 60 etot -6.3997E+01 mv 6 1 190 112 0 + 4 e 270 51 etot -6.5172E+01 mv 6 1 190 3 0 + 4 e 313 52 etot -6.3451E+01 mv 6 1 190 160 0 + 8 e 223 54 etot -6.3996E+01 mv 6 1 190 116 0 f 121 850.7 20.5 + 4 e 556 36 etot -6.6819E+01 mv 6 1 194 181 0 + 4 e 247 55 etot -5.7357E+01 mv 6 1 190 120 0 f 114 868.8 13.9 + 4 e 235 64 etot -6.1254E+01 mv 6 1 105 12 0 + 4 e 496 50 etot -6.5966E+01 mv 6 1 2 68 0 + 4 e 279 77 etot -6.5622E+01 mv 6 1 30 121 0 c 30 236.6 0.8 + 4 e 490 29 etot -5.9082E+01 mv 6 1 167 39 0 f 126 863.8 15.4 + 4 e 303 62 etot -5.4532E+01 mv 6 1 105 112 0 c 112 810.6 10.7 + 4 e 269 78 etot -4.9708E+01 mv 6 1 30 27 0 + 4 e 716 38 etot -7.1355E+01 mv 6 1 194 114 0 c 194 522.1 2.8 + 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-6.5653E+01 mv 1 1 41 -171 0 + 4 e 311 369 etot -6.1815E+01 mv 1 1 179 -43 0 + 4 e 168 375 etot -6.1845E+01 mv 1 1 192 -184 0 + 4 e 538 344 etot -5.7557E+01 mv 1 1 184 -75 0 + 4 e 604 338 etot -5.4758E+01 mv 1 1 30 -8 0 + 4 e 230 381 etot -5.8762E+01 mv 1 1 6 -96 0 + 4 e 424 368 etot -5.8427E+01 mv 1 1 179 -102 0 + 4 e 241 382 etot -5.4810E+01 mv 1 1 6 -133 0 + 4 e 339 376 etot -6.1237E+01 mv 1 1 24 -9 0 + 4 e 206 388 etot -6.2164E+01 mv 1 1 29 -151 0 f 82 1016.7 14.4 + 4 e 365 372 etot -6.1990E+01 mv 1 1 192 -116 0 + 4 e 570 347 etot -6.1604E+01 mv 1 1 142 -83 0 + 4 e 725 354 etot -6.8015E+01 mv 1 1 189 -57 0 + 4 e 446 370 etot -6.2117E+01 mv 1 1 179 -117 0 + 4 e 347 383 etot -5.2682E+01 mv 1 1 6 -174 0 + 4 e 274 390 etot -6.1226E+01 mv 1 1 29 -34 0 + 4 e 425 377 etot -5.7799E+01 mv 1 1 24 -97 0 + 4 e 122 402 etot -7.1745E+01 mv 0 1 125 0 0 + 4 e 349 386 etot -5.9923E+01 mv 1 1 29 -177 0 + 4 e 143 404 etot -6.8411E+01 mv 0 1 194 0 0 + 4 e 158 403 etot -6.6116E+01 mv 0 1 167 0 0 c 167 1.7 0.0 + 4 e 618 367 etot -7.0496E+01 mv 1 1 179 -154 0 f 155 856.3 22.7 + 4 e 119 407 etot -6.6424E+01 mv 0 1 105 0 0 + 4 e 469 380 etot -6.2187E+01 mv 1 1 24 -7 0 + 4 e 335 393 etot -5.3439E+01 mv 1 1 162 -89 0 + 4 e 368 389 etot -6.1725E+01 mv 1 1 29 -102 0 +## N0 total= 19 close= 3 far= 0 %acc 15.8 +## N1 total= 97 close= 14 far= 10 %acc 24.7 +## N2 total= 100 close= 18 far= 6 %acc 24.0 +## N3 total= 0 close= 0 far= 0 %acc 0.0 +## N4 total= 0 close= 0 far= 0 %acc 0.0 +## N5 total= 0 close= 0 far= 0 %acc 0.0 +## N6 total= 204 close= 55 far= 35 %acc 44.1 +## N7 total= 0 close= 0 far= 0 %acc 0.0 +## N8 total= 0 close= 0 far= 0 %acc 0.0 +## N9 total= 0 close= 0 far= 0 %acc 0.0 +##N10 total= 0 close= 0 far= 0 %acc 0.0 +##N11 total= 0 close= 0 far= 0 %acc 0.0 +##N12 total= 0 close= 0 far= 0 %acc 0.0 +##N13 total= 0 close= 0 far= 0 %acc 0.0 +##N14 total= 0 close= 0 far= 0 %acc 0.0 +##N15 total= 0 close= 0 far= 0 %acc 0.0 +##N16 total= 0 close= 0 far= 0 %acc 0.0 +##N17 total= 0 close= 0 far= 0 %acc 0.0 +##N18 total= 0 close= 0 far= 0 %acc 0.0 + Time for refresh 2 0.45 + make_var : nseed= 20 ntry= 420 + Time for make trial 3 0.08 +Nonsetup time 6.52 sec, Eval/s = 64325.68 +Time for iter 3 2.10 sec, Eval/s = 63949.47 + UPDATING 420 + 4 e 124 420 etot -6.0103E+01 mv 0 1 20 0 0 + 4 e 128 413 etot -6.2006E+01 mv 0 1 41 0 0 c 90 309.6 6.2 + 4 e 179 417 etot -6.6244E+01 mv 0 1 6 0 0 + 4 e 104 412 etot -6.4025E+01 mv 0 1 10 0 0 + 4 e 396 396 etot -5.7661E+01 mv 1 1 20 -88 0 + 4 e 587 395 etot -5.9927E+01 mv 1 1 162 -89 0 + 4 e 379 400 etot -6.0617E+01 mv 1 1 20 -182 0 + 4 e 137 415 etot -6.1563E+01 mv 0 1 192 0 0 + 4 e 95 418 etot -6.1227E+01 mv 0 1 29 0 0 + 4 e 131 409 etot -6.3491E+01 mv 0 1 184 0 0 + 4 e 114 411 etot -6.6657E+01 mv 0 1 189 0 0 + 4 e 407 416 etot -6.2637E+01 mv 0 1 24 0 0 + -1 e 1 6 etot 1.3528E+20 mv 6 2 11 144 0 + 4 e 643 378 etot -6.0863E+01 mv 1 1 24 -165 0 + 4 e 411 401 etot -4.5008E+01 mv 0 1 120 0 0 + 4 e 328 408 etot -6.4813E+01 mv 0 1 30 0 0 + 4 e 619 374 etot -6.7353E+01 mv 1 1 192 -25 0 + 4 e 126 410 etot -6.3096E+01 mv 0 1 142 0 0 + 4 e 149 414 etot -6.1801E+01 mv 0 1 179 0 0 + 4 e 151 419 etot -6.0240E+01 mv 0 1 162 0 0 + 4 e 375 392 etot -6.5679E+01 mv 1 1 162 -106 0 + 4 e 445 391 etot -5.3040E+01 mv 1 1 162 -106 0 + 4 e 502 394 etot -6.2135E+01 mv 1 1 162 -34 0 + 4 e 182 405 etot -6.7275E+01 mv 0 1 2 0 0 + -1 e 1 17 etot 1.3528E+20 mv 6 2 174 158 0 + 4 e 332 385 etot -5.1915E+01 mv 1 1 6 -178 0 f 178 886.2 4.1 + 4 e 315 397 etot -5.9275E+01 mv 1 1 20 -13 0 + 4 e 569 379 etot -6.2414E+01 mv 1 1 24 -98 0 + 4 e 286 399 etot -5.1627E+01 mv 1 1 20 -93 0 + 4 e 457 387 etot -4.6274E+01 mv 1 1 29 -154 0 + 4 e 130 406 etot -6.6699E+01 mv 0 1 190 0 0 + 4 e 351 398 etot -6.0615E+01 mv 1 1 20 -164 0 + 4 e 534 384 etot -5.7467E+01 mv 1 1 6 -107 0 c 178 627.2 5.6 + -1 e 1 11 etot 1.3528E+20 mv 6 2 174 130 0 + 8 e 14 25 etot -6.3994E+01 mv 6 2 105 90 0 + 4 e 135 15 etot -5.3076E+01 mv 6 2 174 31 0 f 149 976.7 5.2 + 4 e 155 4 etot -4.7919E+01 mv 6 2 11 141 0 f 118 835.4 0.1 + 4 e 148 7 etot -5.6682E+01 mv 6 2 11 193 0 c 193 187.2 1.9 + 4 e 131 24 etot -4.5977E+01 mv 6 2 105 72 0 + 4 e 175 9 etot -4.6237E+01 mv 6 2 11 53 0 + 4 e 148 35 etot -5.8429E+01 mv 6 2 150 187 0 c 187 2.3 0.0 + 4 e 178 12 etot -7.8592E+01 mv 6 2 174 184 0 + 4 e 190 16 etot -7.8592E+01 mv 6 2 174 95 0 + 4 e 207 32 etot -6.7285E+01 mv 6 2 150 90 0 + 4 e 208 2 etot -5.8065E+01 mv 6 2 11 53 0 c 53 422.8 3.5 + 4 e 216 19 etot -5.7517E+01 mv 6 2 174 95 0 c 95 40.6 0.5 + 4 e 230 10 etot -6.2171E+01 mv 6 2 11 55 0 c 11 35.6 0.1 + 4 e 246 30 etot -6.5872E+01 mv 6 2 105 83 0 + 4 e 238 14 etot -5.7683E+01 mv 6 2 174 64 0 c 64 559.5 7.8 + 4 e 82 44 etot -4.9724E+01 mv 6 2 155 161 0 c 161 1.4 0.0 + 4 e 301 18 etot -5.2741E+01 mv 6 2 174 30 0 + 4 e 165 36 etot -6.9671E+01 mv 6 2 150 105 0 c 150 24.9 1.1 + -1 e 1 52 etot 1.3528E+20 mv 6 2 2 130 0 + 4 e 324 3 etot -6.0534E+01 mv 6 2 11 183 0 + 4 e 230 38 etot -6.6330E+01 mv 6 2 150 195 0 + 4 e 335 8 etot -6.1952E+01 mv 6 2 11 5 0 + 4 e 352 22 etot -6.4092E+01 mv 6 2 105 148 0 c 26 702.7 9.0 + 4 e 448 5 etot -6.0267E+01 mv 6 2 11 2 0 + 4 e 201 42 etot -5.7299E+01 mv 6 2 155 108 0 + 4 e 387 20 etot -6.7227E+01 mv 6 2 174 78 0 + 4 e 388 21 etot -6.7871E+01 mv 6 2 105 14 0 + 4 e 422 33 etot -4.8695E+01 mv 6 2 150 77 0 c 77 246.6 0.5 + 4 e 518 13 etot -7.3272E+01 mv 6 2 174 141 0 + 4 e 163 53 etot -5.1269E+01 mv 6 2 2 51 0 + 4 e 289 40 etot -6.0555E+01 mv 6 2 150 8 0 + 4 e 264 47 etot -6.4704E+01 mv 6 2 155 12 0 + 4 e 306 41 etot -6.0043E+01 mv 6 2 155 133 0 + 4 e 514 37 etot -5.4685E+01 mv 6 2 150 133 0 f 118 967.2 6.8 + -1 e 1 68 etot 1.3528E+20 mv 6 2 191 84 0 + 4 e 259 55 etot -6.8343E+01 mv 6 2 2 72 0 + 4 e 282 45 etot -6.5404E+01 mv 6 2 155 199 0 + 4 e 320 49 etot -7.3131E+01 mv 6 2 155 78 0 f 80 796.6 25.0 + 4 e 529 34 etot -7.4572E+01 mv 6 2 150 97 0 c 150 418.7 4.9 + 4 e 219 56 etot -5.8204E+01 mv 6 2 2 42 0 + 4 e 199 54 etot -7.4609E+01 mv 6 2 2 122 0 c 2 363.4 4.2 + 4 e 352 28 etot -6.8744E+01 mv 6 2 105 93 0 + 4 e 139 65 etot -4.4528E+01 mv 6 2 191 28 0 + 4 e 571 31 etot -6.2639E+01 mv 6 2 150 74 0 f 81 844.9 14.5 + 4 e 494 39 etot -6.6734E+01 mv 6 2 150 109 0 f 153 823.3 18.5 + 4 e 212 64 etot -6.8247E+01 mv 6 2 191 180 0 + 4 e 676 23 etot -6.7617E+01 mv 6 2 105 194 0 c 156 719.9 8.6 + 4 e 211 60 etot -6.5035E+01 mv 6 2 2 150 0 + 4 e 375 46 etot -6.2505E+01 mv 6 2 155 169 0 + 4 e 350 58 etot -7.2947E+01 mv 6 2 2 192 0 c 192 557.3 2.2 + 4 e 314 51 etot -6.5312E+01 mv 6 2 2 141 0 + 4 e 377 48 etot -6.4449E+01 mv 6 2 155 148 0 c 26 640.1 0.4 + 4 e 390 57 etot -7.0856E+01 mv 6 2 2 192 0 + 4 e 170 72 etot -6.8047E+01 mv 6 2 162 132 0 + 4 e 358 29 etot -5.1273E+01 mv 6 2 105 137 0 c 137 282.8 2.0 + 4 e 359 26 etot -6.7600E+01 mv 6 2 105 172 0 + 4 e 405 59 etot -6.7324E+01 mv 6 2 2 31 0 + 4 e 225 70 etot -5.5141E+01 mv 6 2 191 135 0 c 135 401.0 3.1 + 4 e 203 73 etot -6.6959E+01 mv 6 2 162 195 0 + 4 e 231 69 etot -6.8280E+01 mv 6 2 191 77 0 + 4 e 395 61 etot -6.2500E+01 mv 6 2 191 4 0 + 4 e 195 77 etot -6.7894E+01 mv 6 2 162 121 0 + 4 e 152 84 etot -5.2047E+01 mv 6 2 190 125 0 f 116 910.2 3.8 + 4 e 179 83 etot -5.9253E+01 mv 6 2 190 154 0 c 154 236.1 1.4 + 4 e 217 79 etot -6.6199E+01 mv 6 2 162 29 0 + 4 e 437 27 etot -6.6764E+01 mv 6 2 105 162 0 c 19 695.7 9.6 + 4 e 435 50 etot -5.9726E+01 mv 6 2 155 57 0 f 99 1084.8 11.3 + -1 e 1 100 etot 1.3528E+20 mv 6 2 198 136 0 + 4 e 168 78 etot -6.7429E+01 mv 6 2 162 191 0 + 4 e 740 1 etot -6.9282E+01 mv 6 2 11 61 0 f 73 928.6 20.7 + 4 e 458 63 etot -5.4603E+01 mv 6 2 191 50 0 c 50 176.8 3.8 + -1 e 1 104 etot 1.3528E+20 mv 6 2 192 179 0 + 4 e 208 85 etot -6.9364E+01 mv 6 2 190 3 0 c 190 40.4 1.4 + 4 e 326 74 etot -5.9348E+01 mv 6 2 162 128 0 + 4 e 352 62 etot -7.8746E+01 mv 6 2 191 192 0 c 191 520.4 10.3 + 4 e 319 71 etot -5.0679E+01 mv 6 2 162 48 0 f 77 813.1 2.0 + 4 e 429 75 etot -5.8467E+01 mv 6 2 162 9 0 + 4 e 203 94 etot -5.7902E+01 mv 6 2 198 25 0 c 115 477.6 1.3 + 4 e 348 92 etot -6.0961E+01 mv 6 2 198 43 0 c 115 598.8 3.1 + 4 e 241 96 etot -5.9119E+01 mv 6 2 198 178 0 f 93 886.7 10.3 + 4 e 599 66 etot -6.3080E+01 mv 6 2 191 129 0 f 143 860.2 13.8 + 4 e 272 88 etot -6.5988E+01 mv 6 2 190 24 0 + 4 e 409 80 etot -6.8278E+01 mv 6 2 162 130 0 c 162 253.1 0.2 + -1 e 1 111 etot 1.3528E+20 mv 6 2 30 21 0 + 4 e 812 43 etot -6.9268E+01 mv 6 2 155 80 0 + 4 e 559 67 etot -5.8831E+01 mv 6 2 191 75 0 + 4 e 190 107 etot -5.2377E+01 mv 6 2 192 198 0 f 67 921.0 2.7 + 4 e 202 98 etot -5.4498E+01 mv 6 2 198 55 0 + 4 e 475 81 etot -5.0889E+01 mv 6 2 190 74 0 + 4 e 272 99 etot -6.8187E+01 mv 6 2 198 123 0 c 198 202.4 1.0 + 4 e 102 103 etot -5.2194E+01 mv 6 2 192 44 0 c 44 0.6 0.0 + -1 e 1 109 etot 1.3528E+20 mv 6 2 192 28 0 + 4 e 433 87 etot -5.4010E+01 mv 6 2 190 78 0 + 4 e 378 95 etot -6.7174E+01 mv 6 2 198 170 0 + 4 e 422 91 etot -5.2335E+01 mv 6 2 198 84 0 f 161 1067.4 2.6 + 4 e 202 76 etot -6.1079E+01 mv 6 2 162 188 0 c 14 787.7 2.8 + 4 e 542 82 etot -5.4134E+01 mv 6 2 190 46 0 c 46 327.2 2.0 + 4 e 356 86 etot -6.7406E+01 mv 6 2 190 181 0 + 4 e 351 108 etot -7.1014E+01 mv 6 2 192 181 0 + 4 e 185 119 etot -5.0732E+01 mv 6 2 30 17 0 + 4 e 558 93 etot -6.5525E+01 mv 6 2 198 159 0 + -1 e 1 135 etot 1.3528E+20 mv 6 2 142 61 0 + 4 e 210 116 etot -6.5622E+01 mv 6 2 30 114 0 + 4 e 224 118 etot -4.5425E+01 mv 6 2 30 115 0 + 4 e 237 114 etot -4.5342E+01 mv 6 2 30 25 0 + 4 e 232 117 etot -6.5534E+01 mv 6 2 30 72 0 + 4 e 240 115 etot -4.0850E+01 mv 6 2 30 33 0 + 4 e 471 106 etot -5.6041E+01 mv 6 2 192 39 0 f 66 836.1 6.3 + 4 e 178 131 etot -6.3745E+01 mv 6 2 142 44 0 c 142 5.8 0.0 + 4 e 266 124 etot -5.4494E+01 mv 6 2 5 26 0 f 96 1002.9 4.7 + -1 e 1 144 etot 1.3528E+20 mv 6 2 189 27 0 + 4 e 589 97 etot -5.7034E+01 mv 6 2 198 176 0 c 161 704.2 4.7 + 4 e 540 105 etot -5.0722E+01 mv 6 2 192 166 0 f 139 862.7 0.7 + 4 e 301 123 etot -5.4200E+01 mv 6 2 5 67 0 + 4 e 137 136 etot -5.2632E+01 mv 6 2 142 52 0 + 4 e 295 128 etot -6.7386E+01 mv 6 2 5 66 0 c 5 275.1 0.1 + 4 e 330 122 etot -5.6991E+01 mv 6 2 5 135 0 + 4 e 300 129 etot -6.1554E+01 mv 6 2 5 128 0 c 128 668.7 1.6 + -1 e 1 152 etot 1.3528E+20 mv 6 2 41 21 0 + 4 e 250 125 etot -6.2944E+01 mv 6 2 5 183 0 c 183 129.8 0.5 + 4 e 438 101 etot -7.9620E+01 mv 6 2 192 120 0 c 191 771.4 0.9 + 4 e 264 142 etot -5.5538E+01 mv 6 2 189 82 0 + 4 e 244 138 etot -6.2326E+01 mv 6 2 142 106 0 + 4 e 517 112 etot -5.9473E+01 mv 6 2 30 197 0 + 4 e 436 113 etot -6.1105E+01 mv 6 2 30 64 0 f 62 955.7 11.1 + 4 e 314 134 etot -6.1870E+01 mv 6 2 142 47 0 + 4 e 344 121 etot -6.8009E+01 mv 6 2 5 175 0 c 5 96.0 0.6 + 4 e 467 127 etot -5.4912E+01 mv 6 2 5 136 0 + 4 e 344 126 etot -5.9807E+01 mv 6 2 5 53 0 + -1 e 1 157 etot 1.3528E+20 mv 6 2 41 151 0 + -1 e 1 158 etot 1.3528E+20 mv 6 2 41 101 0 + -1 e 1 165 etot 1.3528E+20 mv 6 2 125 47 0 + 4 e 282 141 etot -6.4965E+01 mv 6 2 189 28 0 + 4 e 359 139 etot -6.4153E+01 mv 6 2 142 95 0 c 142 27.7 0.4 + 4 e 245 150 etot -6.6287E+01 mv 6 2 189 83 0 + 4 e 359 140 etot -5.1041E+01 mv 6 2 142 177 0 + 4 e 393 89 etot -5.8997E+01 mv 6 2 190 67 0 + 4 e 305 149 etot -7.3462E+01 mv 6 2 189 8 0 c 189 173.8 5.1 + 4 e 515 133 etot -5.4067E+01 mv 6 2 142 22 0 f 61 805.1 4.0 + 4 e 413 90 etot -5.6830E+01 mv 6 2 190 54 0 c 54 241.5 0.8 + 4 e 684 110 etot -6.3059E+01 mv 6 2 192 32 0 c 144 734.6 1.2 + 4 e 685 120 etot -6.3282E+01 mv 6 2 30 13 0 c 129 702.3 8.7 + 4 e 325 102 etot -6.2211E+01 mv 6 2 192 57 0 f 91 836.6 12.1 + 4 e 429 143 etot -7.3753E+01 mv 6 2 189 22 0 c 189 308.2 0.3 + 4 e 492 137 etot -5.0992E+01 mv 6 2 142 98 0 f 172 968.1 0.7 + 4 e 395 148 etot -6.4350E+01 mv 6 2 189 32 0 c 100 696.4 4.6 + -1 e 1 180 etot 1.3528E+20 mv 6 2 23 63 0 + 4 e 391 151 etot -6.6498E+01 mv 6 2 41 170 0 + 4 e 435 147 etot -5.8086E+01 mv 6 2 189 13 0 f 98 835.7 7.7 + 4 e 219 156 etot -5.5592E+01 mv 6 2 41 132 0 + 4 e 281 130 etot -6.7321E+01 mv 6 2 5 99 0 + 4 e 266 166 etot -6.0630E+01 mv 6 2 125 55 0 + 4 e 273 164 etot -7.2691E+01 mv 6 2 125 170 0 + 4 e 251 170 etot -7.1315E+01 mv 6 2 125 59 0 + 4 e 161 181 etot -5.0930E+01 mv 6 2 38 27 0 + 4 e 211 175 etot -4.6877E+01 mv 6 2 23 188 0 + 4 e 587 146 etot -6.5102E+01 mv 6 2 189 187 0 + 4 e 246 173 etot -4.6235E+01 mv 6 2 23 86 0 + 4 e 150 183 etot -4.8351E+01 mv 6 2 38 81 0 + 4 e 374 161 etot -6.7456E+01 mv 6 2 125 156 0 + -1 e 1 194 etot 1.3528E+20 mv 6 2 24 52 0 + 4 e 564 153 etot -6.1194E+01 mv 6 2 41 112 0 f 57 956.1 10.7 + 4 e 189 184 etot -4.6107E+01 mv 6 2 38 99 0 + 4 e 396 168 etot -5.9494E+01 mv 6 2 125 47 0 f 140 832.8 9.0 + 4 e 444 162 etot -7.2487E+01 mv 6 2 125 101 0 + 4 e 333 172 etot -5.3753E+01 mv 6 2 23 147 0 + 4 e 630 132 etot -6.9382E+01 mv 6 2 142 82 0 c 142 572.6 5.2 + 4 e 297 178 etot -6.8051E+01 mv 6 2 23 193 0 + 4 e 464 167 etot -6.2503E+01 mv 6 2 125 176 0 f 55 916.0 11.9 + 4 e 302 179 etot -6.7554E+01 mv 6 2 23 36 0 c 23 409.4 4.1 + -1 e 1 204 etot 1.3528E+20 mv 2 2 11 -75 0 + 4 e 249 174 etot -6.4097E+01 mv 6 2 23 158 0 + 4 e 496 159 etot -6.6554E+01 mv 6 2 41 147 0 c 41 3.3 0.1 + 4 e 359 176 etot 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0 + -1 e 1 383 etot 1.3528E+20 mv 1 2 125 -180 0 + 4 e 445 349 etot -6.1668E+01 mv 1 2 198 -57 0 + 4 e 388 354 etot -7.3109E+01 mv 1 2 192 -20 0 c 192 560.4 0.2 + 4 e 377 355 etot -7.1632E+01 mv 1 2 192 -96 0 + 4 e 259 370 etot -6.3457E+01 mv 1 2 142 -78 0 + 8 e 264 368 etot -6.3998E+01 mv 1 2 142 -165 0 + 4 e 365 361 etot -6.3957E+01 mv 1 2 5 -168 0 + 4 e 329 351 etot -7.0389E+01 mv 1 2 192 -54 0 + 4 e 215 375 etot -6.8622E+01 mv 1 2 189 -163 0 + 4 e 792 328 etot -6.9794E+01 mv 1 2 2 -105 0 + 4 e 309 372 etot -6.9407E+01 mv 1 2 189 -45 0 + 4 e 304 373 etot -6.5242E+01 mv 1 2 189 -184 0 + 4 e 426 362 etot -5.9541E+01 mv 1 2 5 -70 0 f 151 813.0 8.0 + 4 e 382 366 etot -5.7899E+01 mv 1 2 142 -9 0 + 4 e 506 353 etot -7.1631E+01 mv 1 2 192 -96 0 + -1 e 1 397 etot 1.3528E+20 mv 1 2 24 -123 0 + 4 e 625 344 etot -6.9028E+01 mv 1 2 190 -61 0 c 18 547.2 6.8 + -1 e 1 400 etot 1.3528E+20 mv 1 2 24 -149 0 + 4 e 155 381 etot -7.3162E+01 mv 1 2 125 -185 0 + 4 e 426 367 etot -5.5429E+01 mv 1 2 142 -187 0 + 4 e 374 374 etot -6.8588E+01 mv 1 2 189 -55 0 + 4 e 406 352 etot -6.2902E+01 mv 1 2 192 -169 0 + 4 e 213 385 etot -7.3161E+01 mv 1 2 125 -190 0 + 4 e 470 369 etot -6.0566E+01 mv 1 2 142 -165 0 + 4 e 86 402 etot -7.8675E+01 mv 0 2 174 0 0 + 4 e 295 376 etot -6.6200E+01 mv 1 2 41 -23 0 c 90 416.4 2.4 + 4 e 194 393 etot -4.4218E+01 mv 1 2 38 -31 0 + 4 e 150 401 etot -6.2102E+01 mv 0 2 11 0 0 + 4 e 249 392 etot -4.8728E+01 mv 1 2 38 -8 0 + 4 e 562 363 etot -6.8275E+01 mv 1 2 5 -62 0 c 5 266.0 0.3 + 4 e 264 388 etot -6.2958E+01 mv 1 2 23 -138 0 + 4 e 121 403 etot -6.9265E+01 mv 0 2 105 0 0 c 105 1.0 0.0 + 4 e 121 404 etot -6.8526E+01 mv 0 2 150 0 0 + 4 e 93 406 etot -7.0420E+01 mv 0 2 2 0 0 + 4 e 210 394 etot -6.4518E+01 mv 1 2 38 -114 0 c 38 101.3 1.4 + 4 e 94 407 etot -6.8466E+01 mv 0 2 191 0 0 + 4 e 95 405 etot -7.0498E+01 mv 0 2 155 0 0 c 155 2.2 0.0 +## N0 total= 23 close= 3 far= 0 %acc 13.0 +## N1 total= 97 close= 10 far= 3 %acc 13.4 +## N2 total= 100 close= 16 far= 6 %acc 22.0 +## N3 total= 0 close= 0 far= 0 %acc 0.0 +## N4 total= 0 close= 0 far= 0 %acc 0.0 +## N5 total= 0 close= 0 far= 0 %acc 0.0 +## N6 total= 200 close= 56 far= 29 %acc 42.5 +## N7 total= 0 close= 0 far= 0 %acc 0.0 +## N8 total= 0 close= 0 far= 0 %acc 0.0 +## N9 total= 0 close= 0 far= 0 %acc 0.0 +##N10 total= 0 close= 0 far= 0 %acc 0.0 +##N11 total= 0 close= 0 far= 0 %acc 0.0 +##N12 total= 0 close= 0 far= 0 %acc 0.0 +##N13 total= 0 close= 0 far= 0 %acc 0.0 +##N14 total= 0 close= 0 far= 0 %acc 0.0 +##N15 total= 0 close= 0 far= 0 %acc 0.0 +##N16 total= 0 close= 0 far= 0 %acc 0.0 +##N17 total= 0 close= 0 far= 0 %acc 0.0 +##N18 total= 0 close= 0 far= 0 %acc 0.0 + Time for refresh 3 0.52 + make_var : nseed= 20 ntry= 420 + Time for make trial 4 0.37 +Nonsetup time 9.10 sec, Eval/s = 60710.47 +Time for iter 4 2.58 sec, Eval/s = 51587.68 + UPDATING 420 + 4 e 602 387 etot -7.0241E+01 mv 1 2 23 -191 0 c 77 347.8 6.4 + 4 e 542 390 etot -6.1429E+01 mv 1 2 23 -84 0 + 4 e 486 379 etot -6.0663E+01 mv 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etot -6.3982E+01 mv 1 3 189 -160 0 + 4 e 218 311 etot -7.2064E+01 mv 1 3 172 -25 0 + 4 e 279 314 etot -7.1856E+01 mv 1 3 172 -43 0 + 4 e 533 287 etot -5.0088E+01 mv 2 3 196 -115 0 + 4 e 424 308 etot -7.0397E+01 mv 1 3 191 -143 0 + 4 e 510 305 etot -5.6351E+01 mv 1 3 92 -165 0 + 4 e 366 315 etot -7.0372E+01 mv 1 3 172 -73 0 + 4 e 472 299 etot -6.1356E+01 mv 2 3 24 -153 0 + 4 e 179 333 etot -6.0523E+01 mv 1 3 6 -18 0 + 4 e 576 298 etot -7.0267E+01 mv 2 3 24 -6 0 c 169 655.1 5.6 + 4 e 194 324 etot -5.8696E+01 mv 1 3 148 -161 0 + 4 e 613 304 etot -5.5558E+01 mv 1 3 92 -84 0 + 4 e 187 330 etot -7.8813E+01 mv 1 3 174 -120 0 + 4 e 188 331 etot -7.1035E+01 mv 1 3 6 -1 0 + 4 e 448 317 etot -7.2683E+01 mv 1 3 189 -37 0 + 4 e 208 339 etot -5.9337E+01 mv 1 3 142 -55 0 + 4 e 387 319 etot -7.0056E+01 mv 1 3 189 -196 0 + 4 e 358 329 etot -7.8556E+01 mv 1 3 174 -146 0 + 4 e 292 338 etot -5.4208E+01 mv 1 3 142 -70 0 + 4 e 166 340 etot -5.2473E+01 mv 1 3 142 -64 0 + 4 e 406 326 etot -7.2767E+01 mv 1 3 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-6.0119E+01 mv 1 3 162 -144 0 + 4 e 255 354 etot -6.8498E+01 mv 1 3 162 -70 0 c 162 218.2 0.2 + 4 e 693 318 etot -7.0585E+01 mv 1 3 189 -93 0 + 4 e 425 332 etot -7.0566E+01 mv 1 3 6 -184 0 + 4 e 627 337 etot -6.6605E+01 mv 1 3 142 -75 0 + 8 e 499 343 etot -4.8899E+01 mv 1 3 190 -107 0 + 4 e 224 367 etot -6.6750E+01 mv 1 3 153 -49 0 + 4 e 312 359 etot -5.8966E+01 mv 1 3 5 -148 0 + 4 e 298 349 etot -6.6169E+01 mv 1 3 184 -196 0 + 4 e 304 364 etot -6.8188E+01 mv 1 3 198 -94 0 c 198 2.8 0.0 + 4 e 225 369 etot -6.5278E+01 mv 1 3 153 -101 0 + -1 e 1 387 etot 1.3528E+20 mv 1 3 196 -138 0 + 4 e 267 368 etot -6.6736E+01 mv 1 3 153 -147 0 + 4 e 369 361 etot -6.2337E+01 mv 1 3 198 -47 0 + 4 e 260 370 etot -6.3661E+01 mv 1 3 153 -109 0 + 4 e 339 350 etot -7.1648E+01 mv 1 3 184 -169 0 + 4 e 404 357 etot -6.7287E+01 mv 1 3 5 -26 0 + 4 e 355 366 etot -6.8184E+01 mv 1 3 153 -37 0 + 4 e 469 353 etot -6.3419E+01 mv 1 3 162 -193 0 + 4 e 285 360 etot -6.7200E+01 mv 1 3 5 -33 0 + 4 e 301 373 etot -5.6326E+01 mv 1 3 85 -43 0 + 4 e 315 356 etot -6.8276E+01 mv 1 3 5 -99 0 + 4 e 271 376 etot -6.1224E+01 mv 1 3 90 -68 0 + -1 e 1 399 etot 1.3528E+20 mv 1 3 24 -190 0 + 4 e 313 365 etot -6.8188E+01 mv 1 3 198 -128 0 c 198 1.8 0.0 + 4 e 330 375 etot -6.6324E+01 mv 1 3 85 -93 0 + 4 e 195 386 etot -5.3473E+01 mv 1 3 196 -61 0 + 4 e 473 347 etot -6.0907E+01 mv 1 3 184 -192 0 c 149 643.7 0.3 + 4 e 168 391 etot -5.9037E+01 mv 1 3 1 -58 0 + 4 e 248 381 etot -6.6423E+01 mv 1 3 173 -30 0 + 4 e 685 348 etot -6.4449E+01 mv 1 3 184 -129 0 + 4 e 534 358 etot -6.8341E+01 mv 1 3 5 -189 0 + 4 e 229 388 etot -6.4970E+01 mv 1 3 196 -122 0 + 4 e 199 390 etot -6.5077E+01 mv 1 3 196 -181 0 + 4 e 373 378 etot -6.1224E+01 mv 1 3 90 -156 0 + 4 e 107 402 etot -7.9622E+01 mv 0 3 191 0 0 + 4 e 398 379 etot -6.2410E+01 mv 1 3 90 -151 0 + 4 e 75 406 etot -7.8813E+01 mv 0 3 174 0 0 + 4 e 91 407 etot -7.1035E+01 mv 0 3 6 0 0 + 4 e 328 383 etot -6.3878E+01 mv 1 3 173 -92 0 + 4 e 111 403 etot -7.2064E+01 mv 0 3 172 0 0 + 4 e 101 405 etot -7.5510E+01 mv 0 3 148 0 0 + 4 e 99 408 etot -6.9383E+01 mv 0 3 142 0 0 + 4 e 84 409 etot -6.9364E+01 mv 0 3 190 0 0 c 37 0.9 0.0 +## N0 total= 20 close= 3 far= 0 %acc 15.0 +## N1 total= 100 close= 7 far= 1 %acc 8.0 +## N2 total= 100 close= 14 far= 2 %acc 16.0 +## N3 total= 0 close= 0 far= 0 %acc 0.0 +## N4 total= 0 close= 0 far= 0 %acc 0.0 +## N5 total= 0 close= 0 far= 0 %acc 0.0 +## N6 total= 200 close= 40 far= 34 %acc 37.0 +## N7 total= 0 close= 0 far= 0 %acc 0.0 +## N8 total= 0 close= 0 far= 0 %acc 0.0 +## N9 total= 0 close= 0 far= 0 %acc 0.0 +##N10 total= 0 close= 0 far= 0 %acc 0.0 +##N11 total= 0 close= 0 far= 0 %acc 0.0 +##N12 total= 0 close= 0 far= 0 %acc 0.0 +##N13 total= 0 close= 0 far= 0 %acc 0.0 +##N14 total= 0 close= 0 far= 0 %acc 0.0 +##N15 total= 0 close= 0 far= 0 %acc 0.0 +##N16 total= 0 close= 0 far= 0 %acc 0.0 +##N17 total= 0 close= 0 far= 0 %acc 0.0 +##N18 total= 0 close= 0 far= 0 %acc 0.0 + Time for refresh 4 0.84 + make_var : nseed= 20 ntry= 420 + Time for make trial 5 0.22 +Nonsetup time 11.77 sec, Eval/s = 58588.91 +Time for iter 5 2.67 sec, Eval/s = 51365.05 + UPDATING 420 + 4 e 127 420 etot -6.4706E+01 mv 0 3 24 0 0 + 4 e 205 415 etot -6.6325E+01 mv 0 3 85 0 0 + 4 e 152 410 etot -7.1649E+01 mv 0 3 184 0 0 + 4 e 509 377 etot -6.1117E+01 mv 1 3 90 -198 0 + 4 e 281 389 etot -6.5077E+01 mv 1 3 196 -80 0 + 4 e 119 414 etot -6.6736E+01 mv 0 3 153 0 0 + 4 e 114 419 etot -6.9413E+01 mv 0 3 1 0 0 + 4 e 556 372 etot -6.8037E+01 mv 1 3 85 -189 0 + 4 e 459 382 etot -6.1520E+01 mv 1 3 173 -83 0 + 4 e 116 418 etot -6.5077E+01 mv 0 3 196 0 0 + 4 e 154 416 etot -6.6201E+01 mv 0 3 90 0 0 + 4 e 705 397 etot -6.7260E+01 mv 1 3 24 -187 0 + 4 e 304 400 etot -6.4705E+01 mv 1 3 24 -191 0 + 4 e 656 371 etot -5.6957E+01 mv 1 3 85 -50 0 + 4 e 137 411 etot -6.8280E+01 mv 0 3 162 0 0 + 4 e 543 395 etot -6.3286E+01 mv 1 3 1 -90 0 + 4 e 579 374 etot -6.1551E+01 mv 1 3 85 -190 0 f 31 765.2 6.9 + 4 e 557 384 etot -6.2780E+01 mv 1 3 173 -102 0 + -1 e 1 11 etot 1.3528E+20 mv 6 4 148 139 0 + 4 e 123 413 etot -6.8188E+01 mv 0 3 198 0 0 c 198 1.5 0.0 + 4 e 281 394 etot -6.9412E+01 mv 1 3 1 -155 0 + 4 e 114 412 etot -6.8277E+01 mv 0 3 5 0 0 + 4 e 143 417 etot -6.7440E+01 mv 0 3 173 0 0 + 4 e 524 393 etot -6.5879E+01 mv 1 3 1 -19 0 + 4 e 660 363 etot -6.7770E+01 mv 1 3 198 -165 0 + 4 e 295 396 etot -6.4705E+01 mv 1 3 24 -161 0 + 4 e 491 380 etot -7.1083E+01 mv 1 3 90 -38 0 c 90 448.2 4.6 + 4 e 313 385 etot -6.6645E+01 mv 1 3 173 -86 0 + -1 e 1 22 etot 1.3528E+20 mv 6 4 142 155 0 + 4 e 116 404 etot -7.3754E+01 mv 0 3 189 0 0 c 189 1.1 0.0 + 4 e 325 392 etot -5.6194E+01 mv 1 3 1 -141 0 f 86 747.3 1.5 + 8 e 170 398 etot -6.3988E+01 mv 1 3 24 -87 0 + 4 e 120 401 etot -5.3284E+01 mv 0 3 92 0 0 + -1 e 1 28 etot 1.3528E+20 mv 6 4 142 180 0 + 4 e 119 7 etot -5.4855E+01 mv 6 4 195 109 0 c 109 2.8 0.0 + 4 e 150 3 etot -6.2608E+01 mv 6 4 195 19 0 c 195 137.8 0.1 + 4 e 154 1 etot -5.7995E+01 mv 6 4 195 93 0 + 4 e 175 12 etot -5.9602E+01 mv 6 4 148 35 0 + 4 e 202 5 etot -6.2550E+01 mv 6 4 195 135 0 + 4 e 207 15 etot -4.8824E+01 mv 6 4 148 138 0 + 4 e 215 8 etot -6.2550E+01 mv 6 4 195 31 0 + 4 e 227 13 etot -7.4612E+01 mv 6 4 148 133 0 + 4 e 250 18 etot -7.5778E+01 mv 6 4 148 180 0 + 4 e 263 32 etot -7.6789E+01 mv 6 4 6 110 0 c 6 282.2 1.5 + -1 e 1 44 etot 1.3528E+20 mv 6 4 192 5 0 + 4 e 323 4 etot -5.3599E+01 mv 6 4 195 140 0 + 4 e 284 33 etot -5.6368E+01 mv 6 4 6 56 0 f 118 847.5 1.7 + 4 e 275 21 etot -7.4069E+01 mv 6 4 142 74 0 + 4 e 306 10 etot -5.9205E+01 mv 6 4 195 184 0 f 123 795.9 4.5 + 4 e 338 20 etot -5.9901E+01 mv 6 4 148 38 0 f 76 736.6 5.1 + 4 e 323 31 etot -6.9982E+01 mv 6 4 6 189 0 c 118 521.2 13.6 + 4 e 323 29 etot -6.6517E+01 mv 6 4 142 45 0 + 4 e 166 27 etot -7.5201E+01 mv 6 4 142 30 0 c 142 2.8 0.0 + 4 e 174 25 etot -6.1692E+01 mv 6 4 142 20 0 c 20 366.3 0.6 + 4 e 350 16 etot -6.4854E+01 mv 6 4 148 183 0 c 44 702.3 6.5 + 4 e 322 35 etot -7.5362E+01 mv 6 4 6 187 0 + 4 e 363 2 etot -5.8589E+01 mv 6 4 195 191 0 + 4 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etot 1.3528E+20 mv 6 4 1 56 0 + 8 e 3 75 etot 2.0478E+03 mv 6 4 1 144 0 + 4 e 248 60 etot -5.6232E+01 mv 6 4 85 146 0 f 122 878.0 1.1 + 4 e 493 42 etot -5.3222E+01 mv 6 4 192 22 0 + 4 e 265 55 etot -6.7620E+01 mv 6 4 85 91 0 + 4 e 224 57 etot -6.8745E+01 mv 6 4 85 198 0 + 4 e 278 59 etot -6.4077E+01 mv 6 4 85 134 0 c 60 631.4 6.2 + 4 e 252 67 etot -6.0315E+01 mv 6 4 184 108 0 + 4 e 383 45 etot -5.7580E+01 mv 6 4 192 169 0 f 133 798.9 2.5 + 4 e 162 73 etot -7.2233E+01 mv 6 4 1 44 0 c 1 4.4 0.0 + 4 e 226 69 etot -6.6405E+01 mv 6 4 184 26 0 c 79 445.7 5.8 + 4 e 352 61 etot -6.2269E+01 mv 6 4 184 65 0 c 65 522.5 3.4 + 4 e 341 34 etot -7.0775E+01 mv 6 4 6 192 0 f 94 769.5 15.6 + 4 e 149 78 etot -5.8222E+01 mv 6 4 1 32 0 + 4 e 595 41 etot -6.8401E+01 mv 6 4 192 121 0 c 4 616.6 5.6 + 4 e 486 50 etot -6.2102E+01 mv 6 4 192 147 0 c 147 612.0 5.5 + 4 e 449 58 etot -6.0580E+01 mv 6 4 85 39 0 + 4 e 459 62 etot -7.0418E+01 mv 6 4 184 116 0 c 35 507.1 10.4 + -1 e 1 94 etot 1.3528E+20 mv 6 4 41 83 0 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etot -5.0348E+01 mv 6 4 41 33 0 + 4 e 369 82 etot -6.6654E+01 mv 6 4 172 42 0 c 112 606.5 6.1 + 4 e 275 54 etot -7.0035E+01 mv 6 4 85 35 0 c 85 287.4 0.1 + 4 e 163 107 etot -6.1860E+01 mv 6 4 23 18 0 f 180 786.8 6.1 + 4 e 538 66 etot -6.0815E+01 mv 6 4 184 56 0 c 113 620.7 1.2 + 4 e 178 102 etot -6.3223E+01 mv 6 4 23 83 0 + 4 e 250 97 etot -5.8041E+01 mv 6 4 41 130 0 + 4 e 287 96 etot -6.4354E+01 mv 6 4 41 153 0 f 146 840.2 8.6 + 4 e 135 115 etot -6.1555E+01 mv 6 4 169 128 0 c 128 0.8 0.0 + 4 e 215 112 etot -5.5894E+01 mv 6 4 169 103 0 + 4 e 319 53 etot -5.7009E+01 mv 6 4 85 56 0 c 56 18.4 0.2 + 4 e 670 51 etot -6.6276E+01 mv 6 4 85 1 0 + 4 e 260 105 etot -7.1284E+01 mv 6 4 23 171 0 c 23 195.8 1.0 + 4 e 436 90 etot -7.1633E+01 mv 6 4 172 152 0 + 8 e 110 120 etot -6.3999E+01 mv 6 4 169 6 0 c 65 556.8 1.7 + 4 e 344 99 etot -6.9817E+01 mv 6 4 41 35 0 f 176 816.8 13.9 + 4 e 246 114 etot -6.1752E+01 mv 6 4 169 23 0 f 51 768.9 5.8 + 4 e 422 93 etot -6.2625E+01 mv 6 4 41 91 0 + 4 e 321 110 etot -6.6201E+01 mv 6 4 23 191 0 + 4 e 388 98 etot -6.3598E+01 mv 6 4 41 139 0 c 139 610.1 6.1 + -1 e 1 134 etot 1.3528E+20 mv 6 4 131 99 0 + 4 e 490 92 etot -6.4963E+01 mv 6 4 41 1 0 + 4 e 343 113 etot -6.7690E+01 mv 6 4 169 139 0 f 66 938.4 11.6 + 4 e 525 74 etot -6.4054E+01 mv 6 4 1 95 0 + 4 e 419 104 etot -7.4482E+01 mv 6 4 23 136 0 c 23 327.6 3.2 + 4 e 131 129 etot -6.0202E+01 mv 6 4 19 160 0 c 160 2.8 0.0 + 4 e 408 106 etot -7.2660E+01 mv 6 4 23 10 0 + 4 e 620 88 etot -7.0689E+01 mv 6 4 172 119 0 c 112 681.8 4.0 + 4 e 230 121 etot -6.9417E+01 mv 6 4 19 104 0 + 4 e 554 95 etot -5.3882E+01 mv 6 4 41 7 0 + 4 e 311 119 etot -5.8378E+01 mv 6 4 169 50 0 + 4 e 204 128 etot -5.2856E+01 mv 6 4 19 165 0 + 4 e 377 116 etot -6.5268E+01 mv 6 4 169 6 0 c 65 630.7 1.3 + 4 e 471 109 etot -8.3805E+01 mv 6 4 23 117 0 c 117 666.0 10.4 + 4 e 198 146 etot -5.0501E+01 mv 6 4 108 149 0 + 4 e 404 123 etot -6.7053E+01 mv 6 4 19 106 0 + 4 e 358 124 etot -5.7332E+01 mv 6 4 19 178 0 + 4 e 307 137 etot -7.0154E+01 mv 6 4 131 135 0 + 4 e 322 127 etot -6.1654E+01 mv 6 4 19 83 0 + 4 e 569 101 etot -7.1049E+01 mv 6 4 23 75 0 + 4 e 215 132 etot -4.8152E+01 mv 6 4 131 71 0 + 4 e 212 136 etot -5.6220E+01 mv 6 4 131 42 0 + 4 e 401 118 etot -7.0268E+01 mv 6 4 169 152 0 c 169 8.3 0.0 + 4 e 199 130 etot -6.9408E+01 mv 6 4 19 5 0 + 4 e 290 122 etot -6.7123E+01 mv 6 4 19 2 0 + 4 e 184 117 etot -5.5758E+01 mv 6 4 169 15 0 + 4 e 257 111 etot -6.5669E+01 mv 6 4 169 165 0 + -1 e 1 155 etot 1.3528E+20 mv 6 4 37 115 0 + 4 e 297 139 etot -6.1796E+01 mv 6 4 131 161 0 + 4 e 502 100 etot -7.4846E+01 mv 6 4 41 6 0 + 4 e 386 135 etot -6.8819E+01 mv 6 4 131 154 0 + 4 e 680 85 etot -7.1401E+01 mv 6 4 172 66 0 f 92 774.0 15.3 + 4 e 357 125 etot -6.9770E+01 mv 6 4 19 75 0 c 19 172.6 0.1 + 4 e 330 89 etot -7.0058E+01 mv 6 4 172 42 0 + 4 e 484 131 etot -7.0024E+01 mv 6 4 131 109 0 + 4 e 406 143 etot -5.3152E+01 mv 6 4 108 33 0 + 4 e 152 159 etot -4.5051E+01 mv 6 4 37 145 0 + 4 e 423 140 etot -6.6864E+01 mv 6 4 131 145 0 + 4 e 162 153 etot -5.4135E+01 mv 6 4 37 14 0 + 4 e 390 147 etot -6.5554E+01 mv 6 4 108 188 0 c 188 448.8 9.2 + -1 e 1 174 etot 1.3528E+20 mv 6 4 153 69 0 + 4 e 177 157 etot -6.7511E+01 mv 6 4 37 83 0 + 4 e 201 149 etot -6.6548E+01 mv 6 4 108 156 0 f 136 736.7 10.4 + 4 e 200 158 etot -6.8061E+01 mv 6 4 37 14 0 + 4 e 230 152 etot -6.9496E+01 mv 6 4 37 131 0 + 4 e 619 133 etot -6.4301E+01 mv 6 4 131 165 0 + 4 e 280 151 etot -5.1244E+01 mv 6 4 37 45 0 + 4 e 562 142 etot -6.1893E+01 mv 6 4 108 143 0 + 4 e 547 145 etot -6.4696E+01 mv 6 4 108 32 0 f 71 794.9 8.5 + 4 e 615 141 etot -6.3479E+01 mv 6 4 108 161 0 + 4 e 568 126 etot -6.4207E+01 mv 6 4 19 11 0 + 4 e 627 144 etot -7.0078E+01 mv 6 4 108 186 0 c 108 334.9 0.7 + 4 e 367 165 etot -7.5649E+01 mv 6 4 199 125 0 c 112 657.0 5.0 + 4 e 246 175 etot -5.9551E+01 mv 6 4 153 61 0 c 61 365.6 1.6 + 4 e 281 171 etot -5.7189E+01 mv 6 4 153 58 0 + 4 e 439 154 etot -6.5941E+01 mv 6 4 37 188 0 c 188 445.0 0.4 + 4 e 534 138 etot -7.1940E+01 mv 6 4 131 126 0 c 131 476.1 0.0 + 4 e 657 148 etot -7.0171E+01 mv 6 4 108 97 0 f 86 753.9 14.0 + 4 e 329 161 etot -6.9213E+01 mv 6 4 199 153 0 c 199 57.9 0.3 + 4 e 453 156 etot -6.8667E+01 mv 6 4 37 10 0 + 4 e 314 164 etot -7.3481E+01 mv 6 4 199 131 0 c 131 455.5 1.5 + 4 e 166 160 etot -5.5554E+01 mv 6 4 37 165 0 + 4 e 301 177 etot -5.9303E+01 mv 6 4 153 150 0 + 4 e 218 182 etot -6.6587E+01 mv 6 4 5 66 0 + 4 e 541 150 etot -6.3733E+01 mv 6 4 108 5 0 + 4 e 512 163 etot -5.9589E+01 mv 6 4 199 66 0 + 4 e 361 176 etot -6.1206E+01 mv 6 4 153 94 0 + 4 e 366 167 etot -6.9135E+01 mv 6 4 199 51 0 + 4 e 474 169 etot -6.1055E+01 mv 6 4 199 33 0 f 122 941.8 4.8 + 4 e 429 172 etot -6.8160E+01 mv 6 4 153 154 0 f 59 809.5 11.6 + 4 e 340 180 etot -6.1431E+01 mv 6 4 153 12 0 f 22 847.7 4.9 + 4 e 276 184 etot -6.6615E+01 mv 6 4 5 86 0 + 4 e 571 162 etot -6.8280E+01 mv 6 4 199 144 0 + 4 e 511 170 etot -7.1283E+01 mv 6 4 199 37 0 c 199 313.2 2.1 + 4 e 448 178 etot -5.8301E+01 mv 6 4 153 62 0 + 4 e 404 179 etot -6.2035E+01 mv 6 4 153 55 0 f 89 736.8 5.3 + 4 e 493 173 etot -6.9631E+01 mv 6 4 153 191 0 f 54 824.7 12.8 + 4 e 212 185 etot -5.3429E+01 mv 6 4 5 71 0 + 4 e 386 181 etot -6.9910E+01 mv 6 4 5 184 0 c 5 445.2 1.4 + 4 e 160 191 etot -4.9607E+01 mv 6 4 120 76 0 + -1 e 1 214 etot 1.3528E+20 mv 2 4 142 -161 0 + 4 e 284 189 etot -6.8342E+01 mv 6 4 5 30 0 + 4 e 373 186 etot -6.2596E+01 mv 6 4 5 110 0 + 4 e 484 166 etot -6.7569E+01 mv 6 4 199 3 0 + 4 e 201 199 etot -6.5720E+01 mv 6 4 120 20 0 + -1 e 1 219 etot 1.3528E+20 mv 2 4 6 -154 0 + 4 e 180 203 etot -6.6134E+01 mv 2 4 195 -124 0 c 195 631.6 3.5 + 8 e 193 193 etot -6.3994E+01 mv 6 4 120 6 0 + 4 e 291 197 etot -6.3926E+01 mv 6 4 120 179 0 + -1 e 1 223 etot 1.3528E+20 mv 2 4 192 -173 0 + 4 e 309 194 etot -6.5117E+01 mv 6 4 120 79 0 + 4 e 148 211 etot -6.7474E+01 mv 2 4 142 -58 0 + 4 e 508 183 etot -5.5490E+01 mv 6 4 5 176 0 + 4 e 319 198 etot -7.0746E+01 mv 6 4 120 168 0 c 120 117.1 2.3 + -1 e 1 228 etot 1.3528E+20 mv 2 4 85 -97 0 + 4 e 226 205 etot -5.9640E+01 mv 2 4 195 -167 0 f 84 750.6 2.7 + 8 e 119 220 etot -6.3988E+01 mv 2 4 6 -178 0 + 4 e 195 216 etot -5.7933E+01 mv 2 4 6 -55 0 + -1 e 1 232 etot 1.3528E+20 mv 2 4 184 -58 0 + 4 e 146 215 etot -7.5201E+01 mv 2 4 142 -21 0 c 170 699.6 6.2 + 4 e 372 200 etot -6.9555E+01 mv 6 4 120 187 0 + 4 e 149 226 etot -6.9983E+01 mv 2 4 85 -37 0 + 4 e 304 168 etot -6.3784E+01 mv 6 4 199 132 0 + 4 e 343 210 etot -6.3067E+01 mv 2 4 148 -146 0 + 4 e 514 192 etot -5.2765E+01 mv 6 4 120 91 0 + 4 e 336 195 etot -7.0059E+01 mv 6 4 120 11 0 + 4 e 559 190 etot -6.7197E+01 mv 6 4 5 80 0 + 4 e 604 188 etot -5.9955E+01 mv 6 4 5 181 0 f 56 904.7 2.9 + 4 e 263 212 etot -6.7369E+01 mv 2 4 142 -175 0 + 4 e 676 187 etot -6.1618E+01 mv 6 4 5 52 0 c 52 403.0 4.0 + -1 e 1 244 etot 1.3528E+20 mv 2 4 172 -80 0 + 4 e 262 221 etot -7.3585E+01 mv 2 4 192 -85 0 c 192 23.8 0.5 + -1 e 1 246 etot 1.3528E+20 mv 2 4 41 -74 0 + 4 e 160 233 etot -5.7872E+01 mv 2 4 184 -108 0 + 8 e 266 224 etot -6.3990E+01 mv 2 4 192 -174 0 + 4 e 341 217 etot -5.7757E+01 mv 2 4 6 -195 0 + 4 e 245 230 etot -6.0016E+01 mv 2 4 85 -63 0 + 4 e 217 231 etot -6.3152E+01 mv 2 4 184 -125 0 + -1 e 1 252 etot 1.3528E+20 mv 2 4 23 -24 0 + 4 e 494 206 etot -7.1683E+01 mv 2 4 148 -81 0 + 4 e 491 204 etot -6.3844E+01 mv 2 4 195 -73 0 c 84 424.2 4.2 + 4 e 484 207 etot -6.9678E+01 mv 2 4 148 -114 0 c 22 626.7 8.2 + 4 e 277 229 etot -6.7856E+01 mv 2 4 85 -32 0 + 4 e 492 209 etot -7.3290E+01 mv 2 4 148 -131 0 + 4 e 133 239 etot -5.9488E+01 mv 2 4 1 -156 0 + 4 e 586 201 etot -6.3330E+01 mv 2 4 195 -90 0 + 4 e 478 213 etot -7.9214E+01 mv 2 4 142 -27 0 c 170 628.0 4.0 + 4 e 140 245 etot -6.0424E+01 mv 2 4 172 -73 0 f 161 748.2 3.4 + 4 e 309 218 etot -7.6060E+01 mv 2 4 6 -163 0 + 8 e 578 208 etot -6.3998E+01 mv 2 4 148 -121 0 + 8 e 105 253 etot -6.3988E+01 mv 2 4 23 -80 0 + 4 e 415 227 etot -6.2202E+01 mv 2 4 85 -71 0 f 39 748.8 5.1 + 4 e 215 234 etot -6.2066E+01 mv 2 4 184 -155 0 + 4 e 166 240 etot -7.2233E+01 mv 2 4 1 -17 0 + 4 e 452 225 etot -6.9630E+01 mv 2 4 192 -161 0 + 4 e 159 254 etot -6.9991E+01 mv 2 4 23 -97 0 + 4 e 171 258 etot -5.4538E+01 mv 2 4 169 -62 0 + 4 e 285 241 etot -6.5845E+01 mv 2 4 172 -62 0 + 4 e 252 248 etot -5.8179E+01 mv 2 4 41 -93 0 + -1 e 1 273 etot 1.3528E+20 mv 2 4 108 -79 0 + 4 e 232 250 etot -7.0624E+01 mv 2 4 41 -54 0 + 4 e 376 236 etot -6.0431E+01 mv 2 4 1 -72 0 + 4 e 297 247 etot -5.8324E+01 mv 2 4 41 -136 0 + 4 e 259 259 etot -5.6382E+01 mv 2 4 169 -64 0 + 4 e 238 261 etot -6.8509E+01 mv 2 4 19 -38 0 + 4 e 556 202 etot -6.1781E+01 mv 2 4 195 -30 0 + 4 e 265 260 etot -7.0269E+01 mv 2 4 169 -70 0 c 169 6.0 0.0 + 4 e 196 265 etot -6.9695E+01 mv 2 4 19 -87 0 + 4 e 429 222 etot -6.3815E+01 mv 2 4 192 -177 0 + 4 e 413 196 etot -6.4858E+01 mv 6 4 120 114 0 f 27 826.3 7.6 + 4 e 407 242 etot -6.0170E+01 mv 2 4 172 -127 0 f 177 845.8 2.8 + 4 e 494 238 etot -6.4076E+01 mv 2 4 1 -48 0 + 4 e 307 262 etot -6.1946E+01 mv 2 4 19 -95 0 + 4 e 383 255 etot -7.2437E+01 mv 2 4 23 -179 0 + 4 e 429 249 etot -6.9487E+01 mv 2 4 41 -92 0 + 4 e 598 235 etot -5.5662E+01 mv 2 4 184 -175 0 + 4 e 250 270 etot -6.3747E+01 mv 2 4 131 -101 0 + -1 e 1 291 etot 1.3528E+20 mv 2 4 5 -66 0 + 4 e 180 278 etot -5.2700E+01 mv 2 4 37 -83 0 + 4 e 212 279 etot -6.9364E+01 mv 2 4 37 -184 0 + 4 e 397 269 etot -7.0050E+01 mv 2 4 131 -20 0 + 4 e 322 263 etot -6.0270E+01 mv 2 4 19 -144 0 + 4 e 330 277 etot -5.6980E+01 mv 2 4 37 -1 0 + 4 e 336 276 etot -6.2576E+01 mv 2 4 37 -158 0 + 4 e 378 272 etot -4.8986E+01 mv 2 4 108 -136 0 + 4 e 413 275 etot -6.0332E+01 mv 2 4 108 -132 0 + 4 e 613 257 etot -5.8163E+01 mv 2 4 169 -40 0 + -1 e 1 301 etot 1.3528E+20 mv 1 4 195 -129 0 + 4 e 647 256 etot -6.7334E+01 mv 2 4 169 -96 0 + 4 e 345 267 etot -6.6961E+01 mv 2 4 131 -151 0 + 4 e 554 264 etot -5.8364E+01 mv 2 4 19 -41 0 + 4 e 468 243 etot -6.9818E+01 mv 2 4 172 -18 0 c 161 621.8 9.4 + 4 e 386 282 etot -6.0747E+01 mv 2 4 199 -4 0 + 4 e 280 290 etot -5.5261E+01 mv 2 4 153 -124 0 + 4 e 334 287 etot -4.6341E+01 mv 2 4 153 -195 0 + 4 e 742 251 etot -7.2454E+01 mv 2 4 23 -54 0 + 4 e 390 268 etot -6.9884E+01 mv 2 4 131 -19 0 + 4 e 575 271 etot -6.9616E+01 mv 2 4 108 -55 0 + 4 e 555 274 etot -6.6167E+01 mv 2 4 108 -76 0 + 4 e 619 266 etot -7.1334E+01 mv 2 4 131 -39 0 + 4 e 411 286 etot -5.6821E+01 mv 2 4 153 -149 0 + 4 e 489 281 etot -7.0293E+01 mv 2 4 199 -126 0 + 4 e 185 305 etot -6.2550E+01 mv 1 4 195 -79 0 + 4 e 376 293 etot -3.5473E+01 mv 2 4 5 -57 0 + 4 e 282 295 etot -6.8485E+01 mv 2 4 5 -146 0 + 4 e 172 307 etot -6.1343E+01 mv 1 4 148 -185 0 + 4 e 298 299 etot -5.7858E+01 mv 2 4 120 -37 0 + 4 e 468 289 etot -6.6870E+01 mv 2 4 153 -157 0 + -1 e 1 322 etot 1.3528E+20 mv 1 4 192 -88 0 + 4 e 374 284 etot -6.9213E+01 mv 2 4 199 -180 0 + 4 e 509 288 etot -6.6266E+01 mv 2 4 153 -68 0 + 4 e 289 300 etot -6.2416E+01 mv 2 4 120 -176 0 + 4 e 218 309 etot -7.6051E+01 mv 1 4 148 -77 0 c 148 1.9 0.0 + 4 e 435 283 etot -6.8774E+01 mv 2 4 199 -38 0 + 4 e 203 312 etot -7.1361E+01 mv 1 4 142 -44 0 + 4 e 644 285 etot -7.0294E+01 mv 2 4 199 -116 0 + 4 e 415 297 etot -6.5040E+01 mv 2 4 120 -62 0 f 197 780.2 7.7 + 4 e 198 316 etot -7.5309E+01 mv 1 4 6 -173 0 + 4 e 295 296 etot -7.1698E+01 mv 2 4 120 -121 0 c 120 125.8 1.0 + -1 e 1 333 etot 1.3528E+20 mv 1 4 184 -85 0 + 4 e 243 314 etot -7.4902E+01 mv 1 4 142 -50 0 + 4 e 537 294 etot -6.2809E+01 mv 2 4 5 -99 0 + 4 e 379 303 etot -6.6173E+01 mv 1 4 195 -71 0 c 84 266.2 2.3 + -1 e 1 337 etot 1.3528E+20 mv 1 4 1 -51 0 + 4 e 501 280 etot -6.3699E+01 mv 2 4 37 -200 0 + 4 e 753 237 etot -7.0942E+01 mv 2 4 1 -132 0 + 4 e 154 323 etot -7.3110E+01 mv 1 4 192 -49 0 + 4 e 284 315 etot -7.5155E+01 mv 1 4 142 -110 0 + 4 e 208 320 etot -7.5309E+01 mv 1 4 6 -22 0 + 4 e 174 325 etot -7.3110E+01 mv 1 4 192 -28 0 + 4 e 700 292 etot -6.3858E+01 mv 2 4 5 -143 0 + 4 e 273 321 etot -7.3110E+01 mv 1 4 192 -181 0 + 4 e 331 318 etot -7.7247E+01 mv 1 4 6 -27 0 + 4 e 309 311 etot -7.5200E+01 mv 1 4 142 -124 0 + 4 e 635 298 etot -6.7552E+01 mv 2 4 120 -187 0 + 4 e 501 310 etot -7.6049E+01 mv 1 4 148 -154 0 + 4 e 256 329 etot -6.9983E+01 mv 1 4 85 -86 0 + 4 e 312 326 etot -6.9216E+01 mv 1 4 85 -139 0 + 4 e 406 319 etot -7.5362E+01 mv 1 4 6 -159 0 + 4 e 175 334 etot -6.4151E+01 mv 1 4 184 -64 0 + 4 e 347 327 etot -6.1942E+01 mv 1 4 85 -25 0 + 4 e 629 302 etot -4.9420E+01 mv 1 4 195 -49 0 + 4 e 305 330 etot -6.9804E+01 mv 1 4 85 -117 0 + 4 e 603 308 etot -7.0435E+01 mv 1 4 148 -185 0 + 4 e 231 341 etot -7.0793E+01 mv 1 4 172 -116 0 c 161 389.2 1.0 + 4 e 159 345 etot -7.3609E+01 mv 1 4 172 -133 0 c 161 136.7 2.8 + 4 e 281 324 etot -7.3110E+01 mv 1 4 192 -105 0 + 4 e 496 317 etot -6.8777E+01 mv 1 4 6 -42 0 + 4 e 177 346 etot -7.1801E+01 mv 1 4 41 -18 0 c 41 5.7 0.1 + 4 e 502 304 etot -6.3521E+01 mv 1 4 195 -81 0 + 4 e 360 336 etot -7.2231E+01 mv 1 4 1 -130 0 + 4 e 412 331 etot -6.3055E+01 mv 1 4 184 -89 0 + 4 e 381 335 etot -6.6987E+01 mv 1 4 184 -183 0 + 4 e 217 349 etot -5.7673E+01 mv 1 4 41 -20 0 + 4 e 558 306 etot -7.2220E+01 mv 1 4 148 -11 0 + 4 e 662 313 etot -6.7222E+01 mv 1 4 142 -116 0 f 134 928.8 9.9 + 4 e 423 338 etot -6.0834E+01 mv 1 4 1 -95 0 + 4 e 256 350 etot -7.1585E+01 mv 1 4 41 -86 0 + 4 e 377 328 etot -6.1483E+01 mv 1 4 85 -169 0 + 4 e 222 356 etot -7.0122E+01 mv 1 4 169 -32 0 + 4 e 312 339 etot -7.2288E+01 mv 1 4 1 -177 0 c 1 2.5 0.1 + 4 e 409 344 etot -7.0438E+01 mv 1 4 172 -151 0 + 4 e 183 365 etot -6.9695E+01 mv 1 4 19 -74 0 + 4 e 394 347 etot -6.9851E+01 mv 1 4 41 -166 0 + 4 e 255 363 etot -5.7420E+01 mv 1 4 19 -154 0 + 4 e 368 351 etot -7.0065E+01 mv 1 4 23 -39 0 + 4 e 535 343 etot -7.1243E+01 mv 1 4 172 -94 0 + 4 e 242 367 etot -5.6532E+01 mv 1 4 131 -132 0 + 4 e 247 366 etot -7.1938E+01 mv 1 4 131 -85 0 + -1 e 1 383 etot 1.3528E+20 mv 1 4 199 -61 0 + 4 e 228 361 etot -6.9958E+01 mv 1 4 19 -57 0 c 19 162.4 0.2 + 4 e 622 342 etot -6.5907E+01 mv 1 4 172 -165 0 + 4 e 197 372 etot -6.2830E+01 mv 1 4 108 -191 0 + 4 e 395 360 etot -7.0068E+01 mv 1 4 169 -144 0 + 4 e 705 332 etot -6.5035E+01 mv 1 4 184 -6 0 f 111 838.2 7.7 + 4 e 489 352 etot -7.5050E+01 mv 1 4 23 -86 0 c 23 448.1 0.6 + 4 e 453 359 etot -6.8686E+01 mv 1 4 169 -120 0 + 4 e 290 371 etot -6.9449E+01 mv 1 4 108 -139 0 + 4 e 340 368 etot -6.6456E+01 mv 1 4 131 -118 0 + 4 e 339 354 etot -6.9582E+01 mv 1 4 23 -53 0 + 4 e 485 357 etot -7.0058E+01 mv 1 4 169 -24 0 + 4 e 214 380 etot -6.9364E+01 mv 1 4 37 -111 0 + 4 e 561 353 etot -6.7366E+01 mv 1 4 23 -62 0 + 4 e 424 348 etot -7.2549E+01 mv 1 4 41 -189 0 c 41 195.7 0.7 + -1 e 1 398 etot 1.3528E+20 mv 1 4 120 -40 0 + 4 e 226 379 etot -6.9252E+01 mv 1 4 37 -156 0 + 4 e 557 355 etot -7.5528E+01 mv 1 4 23 -158 0 c 23 274.3 0.5 + 4 e 608 358 etot -6.5802E+01 mv 1 4 169 -2 0 + 4 e 210 387 etot -5.9629E+01 mv 1 4 153 -89 0 + 4 e 591 362 etot -6.6139E+01 mv 1 4 19 -77 0 + 4 e 182 390 etot -6.8332E+01 mv 1 4 153 -156 0 + 4 e 469 370 etot -7.2126E+01 mv 1 4 131 -52 0 + 4 e 90 401 etot -6.2550E+01 mv 0 4 195 0 0 + 4 e 401 364 etot -6.9256E+01 mv 1 4 19 -26 0 + 4 e 471 374 etot -6.9620E+01 mv 1 4 108 -60 0 + 4 e 264 388 etot -6.7888E+01 mv 1 4 153 -172 0 + 4 e 332 382 etot -6.4069E+01 mv 1 4 199 -3 0 + 4 e 105 403 etot -7.5201E+01 mv 0 4 142 0 0 c 134 626.4 8.0 + 4 e 261 391 etot -6.8484E+01 mv 1 4 5 -161 0 + 4 e 485 376 etot -6.9363E+01 mv 1 4 37 -50 0 + 4 e 106 406 etot -6.9984E+01 mv 0 4 85 0 0 + 4 e 109 405 etot -7.3110E+01 mv 0 4 192 0 0 + 4 e 430 381 etot -6.9640E+01 mv 1 4 199 -48 0 + 4 e 18 416 etot -6.9364E+01 mv 0 4 37 0 0 c 37 0.0 0.0 + 4 e 133 404 etot -7.5309E+01 mv 0 4 6 0 0 + 4 e 435 369 etot -7.0689E+01 mv 1 4 131 -146 0 +## N0 total= 19 close= 4 far= 0 %acc 21.1 +## N1 total= 101 close= 11 far= 4 %acc 14.9 +## N2 total= 100 close= 9 far= 5 %acc 14.0 +## N3 total= 0 close= 0 far= 0 %acc 0.0 +## N4 total= 0 close= 0 far= 0 %acc 0.0 +## N5 total= 0 close= 0 far= 0 %acc 0.0 +## N6 total= 200 close= 47 far= 31 %acc 39.0 +## N7 total= 0 close= 0 far= 0 %acc 0.0 +## N8 total= 0 close= 0 far= 0 %acc 0.0 +## N9 total= 0 close= 0 far= 0 %acc 0.0 +##N10 total= 0 close= 0 far= 0 %acc 0.0 +##N11 total= 0 close= 0 far= 0 %acc 0.0 +##N12 total= 0 close= 0 far= 0 %acc 0.0 +##N13 total= 0 close= 0 far= 0 %acc 0.0 +##N14 total= 0 close= 0 far= 0 %acc 0.0 +##N15 total= 0 close= 0 far= 0 %acc 0.0 +##N16 total= 0 close= 0 far= 0 %acc 0.0 +##N17 total= 0 close= 0 far= 0 %acc 0.0 +##N18 total= 0 close= 0 far= 0 %acc 0.0 + Time for refresh 5 0.26 + make_var : nseed= 20 ntry= 420 + Time for make trial 6 0.07 +Nonsetup time 13.59 sec, Eval/s = 60399.00 +Time for iter 6 1.82 sec, Eval/s = 72102.45 + UPDATING 420 + 4 e 191 411 etot -7.0283E+01 mv 0 4 23 0 0 + 4 e 565 395 etot -6.6225E+01 mv 1 4 5 -168 0 f 34 730.9 8.8 + 4 e 182 402 etot -7.6051E+01 mv 0 4 148 0 0 c 148 1.2 0.0 + 4 e 128 409 etot -7.3354E+01 mv 0 4 172 0 0 + 4 e 70 413 etot -6.9695E+01 mv 0 4 19 0 0 + 4 e 146 412 etot -7.0270E+01 mv 0 4 169 0 0 c 169 2.2 0.0 + 4 e 88 414 etot -7.1939E+01 mv 0 4 131 0 0 + 4 e 350 417 etot -6.9214E+01 mv 0 4 199 0 0 + 4 e 636 377 etot -6.4220E+01 mv 1 4 37 -35 0 + 4 e 101 419 etot -6.8485E+01 mv 0 4 5 0 0 c 34 390.3 2.3 + -1 e 1 2 etot 1.3528E+20 mv 6 5 75 107 0 + 4 e 552 386 etot -6.8226E+01 mv 1 4 153 -154 0 + 4 e 153 418 etot -6.8789E+01 mv 0 4 153 0 0 c 153 1.9 0.0 + 4 e 104 410 etot -7.1724E+01 mv 0 4 41 0 0 + 4 e 173 407 etot -7.2788E+01 mv 0 4 184 0 0 c 184 2.2 0.0 + 4 e 528 393 etot -6.8285E+01 mv 1 4 5 -23 0 + 4 e 491 400 etot -7.0913E+01 mv 1 4 120 -140 0 + 4 e 335 392 etot -5.9853E+01 mv 1 4 5 -172 0 + 4 e 513 384 etot -5.8618E+01 mv 1 4 199 -19 0 + -1 e 1 10 etot 1.3528E+20 mv 6 5 75 18 0 + 4 e 383 397 etot -5.0344E+01 mv 1 4 120 -50 0 + 4 e 429 389 etot -6.3741E+01 mv 1 4 153 -24 0 + 4 e 307 396 etot -7.1699E+01 mv 1 4 120 -65 0 c 120 1.3 0.0 + 4 e 493 378 etot -6.9361E+01 mv 1 4 37 -91 0 + 4 e 269 415 etot -6.9450E+01 mv 0 4 108 0 0 + 4 e 352 385 etot -6.9214E+01 mv 1 4 199 -74 0 + -1 e 1 20 etot 1.3528E+20 mv 6 5 142 68 0 + 4 e 651 373 etot -6.0693E+01 mv 1 4 108 -195 0 f 114 741.4 3.2 + 4 e 555 375 etot -6.9449E+01 mv 1 4 108 -158 0 + 4 e 709 340 etot -7.4049E+01 mv 1 4 1 -167 0 c 1 363.3 1.8 + 4 e 110 408 etot -7.2233E+01 mv 0 4 1 0 0 + 4 e 602 420 etot -7.3300E+01 mv 0 4 120 0 0 c 120 210.3 1.6 + 4 e 362 394 etot -6.5955E+01 mv 1 4 5 -65 0 + 4 e 515 399 etot -7.1704E+01 mv 1 4 120 -62 0 c 197 603.5 6.7 + -1 e 1 28 etot 1.3528E+20 mv 6 5 6 167 0 + -1 e 1 33 etot 1.3528E+20 mv 6 5 90 24 0 + -1 e 1 36 etot 1.3528E+20 mv 6 5 90 91 0 + 4 e 126 6 etot -5.9211E+01 mv 6 5 75 165 0 + 4 e 165 37 etot -7.1339E+01 mv 6 5 90 150 0 c 90 2.9 0.3 + 4 e 178 35 etot -6.2276E+01 mv 6 5 90 116 0 + 4 e 173 17 etot -7.7489E+01 mv 6 5 142 84 0 + 4 e 211 5 etot -6.0775E+01 mv 6 5 75 164 0 f 178 820.0 3.3 + 4 e 216 31 etot -6.2369E+01 mv 6 5 90 108 0 + 4 e 234 25 etot -6.9643E+01 mv 6 5 6 49 0 + -1 e 1 44 etot 1.3528E+20 mv 6 5 192 191 0 + 4 e 234 1 etot -6.7922E+01 mv 6 5 75 177 0 c 75 374.2 10.1 + 4 e 213 15 etot -6.9941E+01 mv 6 5 142 155 0 + 4 e 251 34 etot -6.0622E+01 mv 6 5 90 100 0 f 95 832.1 3.1 + 4 e 260 7 etot -6.0209E+01 mv 6 5 75 118 0 + 4 e 268 26 etot -6.4812E+01 mv 6 5 6 10 0 + 4 e 275 32 etot -5.5586E+01 mv 6 5 90 146 0 + 4 e 313 19 etot -7.8086E+01 mv 6 5 142 91 0 c 142 5.5 0.0 + 4 e 288 11 etot -7.5864E+01 mv 6 5 142 62 0 + -1 e 1 53 etot 1.3528E+20 mv 6 5 143 139 0 + 4 e 333 30 etot -7.6488E+01 mv 6 5 6 184 0 + 4 e 340 22 etot -7.5830E+01 mv 6 5 6 30 0 + 4 e 368 23 etot -6.7701E+01 mv 6 5 6 166 0 f 164 740.1 10.1 + 4 e 356 18 etot -6.6323E+01 mv 6 5 142 69 0 + 4 e 228 39 etot -7.4147E+01 mv 6 5 90 87 0 + 4 e 405 12 etot -7.8085E+01 mv 6 5 142 10 0 + -1 e 1 60 etot 1.3528E+20 mv 6 5 143 93 0 + 4 e 216 49 etot -7.7367E+01 mv 6 5 192 84 0 c 192 261.2 3.8 + 4 e 383 16 etot -7.3018E+01 mv 6 5 142 153 0 + 4 e 445 8 etot -6.8352E+01 mv 6 5 75 28 0 c 28 637.2 8.5 + 4 e 222 45 etot -7.8130E+01 mv 6 5 192 6 0 + 4 e 472 13 etot -7.8579E+01 mv 6 5 142 86 0 c 142 134.0 0.5 + 4 e 483 14 etot -7.5738E+01 mv 6 5 142 176 0 + 4 e 465 27 etot -6.5826E+01 mv 6 5 6 171 0 + 4 e 494 24 etot -6.3467E+01 mv 6 5 6 137 0 + 4 e 421 42 etot -6.9836E+01 mv 6 5 192 200 0 f 133 776.5 12.3 + 4 e 591 3 etot -7.2963E+01 mv 6 5 75 188 0 c 188 505.7 7.0 + 4 e 220 56 etot -6.7867E+01 mv 6 5 143 169 0 + 4 e 515 21 etot -6.6328E+01 mv 6 5 6 133 0 + 4 e 190 62 etot -6.6705E+01 mv 6 5 2 175 0 + 4 e 377 46 etot -6.3052E+01 mv 6 5 192 158 0 + 4 e 242 57 etot -7.1808E+01 mv 6 5 143 183 0 + 4 e 556 29 etot -7.6652E+01 mv 6 5 6 182 0 + 4 e 386 40 etot -6.5260E+01 mv 6 5 90 149 0 + 4 e 713 4 etot -7.7742E+01 mv 6 5 75 92 0 c 92 421.2 6.3 + 4 e 205 63 etot -7.6073E+01 mv 6 5 2 185 0 c 2 40.4 0.1 + 4 e 637 38 etot -6.5394E+01 mv 6 5 90 171 0 c 171 257.9 1.7 + -1 e 1 81 etot 1.3528E+20 mv 6 5 36 192 0 + 4 e 210 58 etot -5.9899E+01 mv 6 5 143 100 0 + -1 e 1 83 etot 1.3528E+20 mv 6 5 36 193 0 + 4 e 423 47 etot -7.6508E+01 mv 6 5 192 179 0 + 4 e 177 69 etot -5.8081E+01 mv 6 5 2 58 0 c 58 196.2 0.3 + 4 e 627 9 etot -7.5837E+01 mv 6 5 75 78 0 c 134 628.2 0.6 + 4 e 208 67 etot -6.8687E+01 mv 6 5 2 173 0 c 158 596.3 0.3 + 4 e 278 55 etot -6.1926E+01 mv 6 5 143 153 0 + 4 e 279 61 etot -7.5554E+01 mv 6 5 2 180 0 + 8 e 258 59 etot -6.3985E+01 mv 6 5 143 96 0 + -1 e 1 90 etot 1.3528E+20 mv 6 5 36 89 0 + 4 e 326 52 etot -7.7231E+01 mv 6 5 143 10 0 c 143 552.6 4.2 + 4 e 351 50 etot -6.4347E+01 mv 6 5 192 92 0 + 4 e 491 41 etot -5.1856E+01 mv 6 5 192 149 0 + 4 e 419 51 etot -6.8025E+01 mv 6 5 143 102 0 + 4 e 314 66 etot -6.7991E+01 mv 6 5 2 18 0 + 4 e 168 80 etot -5.7831E+01 mv 6 5 194 181 0 + 4 e 149 73 etot -7.1459E+01 mv 6 5 194 50 0 c 50 2.7 0.0 + 4 e 462 48 etot -5.6029E+01 mv 6 5 192 163 0 + 4 e 139 87 etot -6.1552E+01 mv 6 5 36 31 0 c 31 3.9 0.0 + 4 e 378 64 etot -5.5989E+01 mv 6 5 2 200 0 + 4 e 251 82 etot -7.0262E+01 mv 6 5 36 175 0 + 4 e 243 85 etot -4.7310E+01 mv 6 5 36 9 0 + -1 e 1 103 etot 1.3528E+20 mv 6 5 125 183 0 + 4 e 231 84 etot -6.5904E+01 mv 6 5 36 96 0 c 96 327.4 0.9 + 4 e 355 71 etot -7.1145E+01 mv 6 5 194 95 0 + 4 e 610 43 etot -5.1173E+01 mv 6 5 192 89 0 + 4 e 334 75 etot -7.5737E+01 mv 6 5 194 92 0 c 194 26.9 0.4 + -1 e 1 109 etot 1.3528E+20 mv 6 5 125 151 0 + 4 e 672 54 etot -6.1281E+01 mv 6 5 143 109 0 f 138 944.2 3.7 + 4 e 236 78 etot -6.9935E+01 mv 6 5 194 77 0 + 4 e 399 76 etot -6.1845E+01 mv 6 5 194 140 0 f 135 819.2 4.2 + 4 e 282 93 etot -6.6197E+01 mv 6 5 190 47 0 f 64 806.7 8.5 + 4 e 359 86 etot -7.2458E+01 mv 6 5 36 137 0 + 4 e 224 101 etot -7.0667E+01 mv 6 5 125 76 0 + 4 e 207 91 etot -6.1544E+01 mv 6 5 190 130 0 + 4 e 470 72 etot -7.2411E+01 mv 6 5 194 28 0 + 4 e 548 70 etot -6.2394E+01 mv 6 5 2 198 0 + 4 e 605 65 etot -7.7795E+01 mv 6 5 2 130 0 c 2 518.5 1.7 + 4 e 309 97 etot -6.8524E+01 mv 6 5 190 11 0 + 4 e 498 74 etot -6.2560E+01 mv 6 5 194 28 0 f 16 866.5 4.8 + 4 e 564 68 etot -7.8388E+01 mv 6 5 2 172 0 c 161 588.9 4.8 + -1 e 1 123 etot 1.3528E+20 mv 6 5 35 170 0 + 4 e 358 92 etot -7.2369E+01 mv 6 5 190 114 0 c 190 553.6 0.2 + 4 e 243 102 etot -6.1584E+01 mv 6 5 125 200 0 c 200 234.9 0.7 + 4 e 237 89 etot -6.0155E+01 mv 6 5 36 64 0 f 53 874.0 2.1 + 4 e 303 77 etot -6.6630E+01 mv 6 5 194 112 0 + 4 e 493 79 etot -7.1227E+01 mv 6 5 194 187 0 + -1 e 1 129 etot 1.3528E+20 mv 6 5 35 177 0 + 4 e 227 110 etot -6.7748E+01 mv 6 5 125 62 0 + 4 e 247 107 etot -7.4491E+01 mv 6 5 125 19 0 + -1 e 1 132 etot 1.3528E+20 mv 6 5 77 162 0 + 4 e 425 95 etot -6.8945E+01 mv 6 5 190 19 0 + 4 e 153 114 etot -7.1699E+01 mv 6 5 120 17 0 + 4 e 195 113 etot -7.1699E+01 mv 6 5 120 80 0 + 4 e 195 108 etot -7.0019E+01 mv 6 5 125 17 0 + 4 e 260 111 etot -6.0705E+01 mv 6 5 120 24 0 f 58 778.3 2.6 + 4 e 436 98 etot -6.9070E+01 mv 6 5 190 131 0 + 4 e 347 105 etot -7.1765E+01 mv 6 5 125 62 0 + 4 e 346 96 etot -5.7853E+01 mv 6 5 190 28 0 + -1 e 1 140 etot 1.5790E+25 mv 6 5 77 70 0 + 4 e 352 106 etot -7.1684E+01 mv 6 5 125 45 0 + 4 e 615 88 etot -7.1835E+01 mv 6 5 36 193 0 + 4 e 228 124 etot -6.8844E+01 mv 6 5 35 175 0 + 4 e 222 125 etot -6.6033E+01 mv 6 5 35 94 0 + 4 e 312 115 etot -5.6097E+01 mv 6 5 120 20 0 + -1 e 1 147 etot 1.3528E+20 mv 6 5 5 153 0 + 4 e 391 94 etot -5.8495E+01 mv 6 5 190 186 0 c 186 27.0 0.2 + 4 e 313 121 etot -5.2394E+01 mv 6 5 35 143 0 + 4 e 623 99 etot -6.4568E+01 mv 6 5 190 52 0 + 4 e 372 119 etot -5.8677E+01 mv 6 5 120 57 0 + 4 e 538 104 etot -7.2034E+01 mv 6 5 125 10 0 + 4 e 358 120 etot -7.2024E+01 mv 6 5 120 157 0 f 98 745.2 13.9 + 4 e 388 118 etot -6.4795E+01 mv 6 5 120 111 0 + 4 e 238 127 etot -6.8957E+01 mv 6 5 35 159 0 + 4 e 453 116 etot -6.6333E+01 mv 6 5 120 118 0 + 4 e 419 126 etot -7.0310E+01 mv 6 5 35 2 0 + 4 e 223 144 etot -4.8987E+01 mv 6 5 5 46 0 + 4 e 492 100 etot -6.5880E+01 mv 6 5 190 153 0 + 4 e 292 138 etot -7.3248E+01 mv 6 5 77 6 0 c 118 579.4 3.3 + 4 e 321 112 etot -6.3133E+01 mv 6 5 120 128 0 f 48 718.1 4.8 + 4 e 402 130 etot -6.8770E+01 mv 6 5 35 144 0 + -1 e 1 161 etot 1.3528E+20 mv 6 5 131 176 0 + 4 e 326 117 etot -7.2598E+01 mv 6 5 120 165 0 c 197 415.8 0.9 + 4 e 373 135 etot -6.0562E+01 mv 6 5 77 9 0 + 4 e 373 133 etot -6.2700E+01 mv 6 5 77 44 0 + 4 e 376 131 etot -7.6508E+01 mv 6 5 77 131 0 f 70 843.3 18.1 + 4 e 343 142 etot -5.8132E+01 mv 6 5 5 93 0 + 4 e 189 152 etot -6.9189E+01 mv 6 5 22 32 0 + 4 e 190 153 etot -6.8242E+01 mv 6 5 22 33 0 + 4 e 248 151 etot -5.9113E+01 mv 6 5 22 40 0 c 40 8.9 0.0 + 4 e 369 143 etot -7.0043E+01 mv 6 5 5 88 0 c 5 149.6 0.1 + 4 e 470 136 etot -7.0515E+01 mv 6 5 77 166 0 c 77 14.2 0.3 + 4 e 214 157 etot -5.1062E+01 mv 6 5 22 16 0 + 4 e 269 155 etot -6.2313E+01 mv 6 5 22 145 0 + 4 e 647 122 etot -6.2339E+01 mv 6 5 35 186 0 c 186 471.3 3.8 + 4 e 549 134 etot -6.0658E+01 mv 6 5 77 96 0 + 4 e 217 158 etot -7.0010E+01 mv 6 5 22 5 0 c 22 526.4 0.3 + 4 e 199 164 etot -7.3482E+01 mv 6 5 131 71 0 c 131 3.5 0.0 + 4 e 424 146 etot -7.6099E+01 mv 6 5 5 104 0 c 22 469.7 6.1 + -1 e 1 181 etot 1.3528E+20 mv 6 5 162 43 0 + 4 e 510 139 etot -6.7856E+01 mv 6 5 77 22 0 + 4 e 320 154 etot -6.9791E+01 mv 6 5 22 116 0 f 187 748.6 11.4 + 4 e 240 159 etot -6.8538E+01 mv 6 5 22 185 0 + 4 e 199 160 etot -6.2677E+01 mv 6 5 22 115 0 f 72 793.6 4.1 + 4 e 448 148 etot -6.9164E+01 mv 6 5 5 134 0 + 4 e 203 171 etot -6.7827E+01 mv 6 5 73 100 0 + 4 e 184 172 etot -5.8099E+01 mv 6 5 73 165 0 + 4 e 482 150 etot -7.0576E+01 mv 6 5 5 77 0 c 34 301.2 2.1 + 4 e 321 169 etot -6.8081E+01 mv 6 5 131 169 0 + 4 e 255 173 etot -6.7737E+01 mv 6 5 73 99 0 + 4 e 162 184 etot -6.6457E+01 mv 6 5 162 134 0 + 4 e 169 185 etot -5.0651E+01 mv 6 5 162 143 0 + 4 e 379 166 etot -6.9203E+01 mv 6 5 131 161 0 + 4 e 185 180 etot -5.5693E+01 mv 6 5 73 22 0 + 4 e 277 156 etot -6.7989E+01 mv 6 5 22 29 0 + 4 e 612 145 etot -7.1583E+01 mv 6 5 5 187 0 c 5 175.4 1.5 + 4 e 534 128 etot -7.1744E+01 mv 6 5 35 138 0 c 35 161.9 1.3 + 4 e 437 163 etot -6.9241E+01 mv 6 5 131 136 0 c 136 333.2 2.7 + 4 e 288 165 etot -7.4931E+01 mv 6 5 131 42 0 c 131 46.0 1.4 + -1 e 1 200 etot 1.3528E+20 mv 6 5 63 9 0 + -1 e 1 202 etot 1.3528E+20 mv 2 5 75 -193 0 + 4 e 175 187 etot -6.8299E+01 mv 6 5 162 86 0 + -1 e 1 204 etot 1.3528E+20 mv 2 5 75 -185 0 + 4 e 425 168 etot -7.0663E+01 mv 6 5 131 95 0 c 66 691.8 3.0 + -1 e 1 205 etot 1.3528E+20 mv 2 5 75 -161 0 + 4 e 270 177 etot -6.4279E+01 mv 6 5 73 134 0 + -1 e 1 208 etot 1.3528E+20 mv 2 5 142 -82 0 + 4 e 268 182 etot -6.8200E+01 mv 6 5 162 149 0 + 8 e 83 196 etot -6.3992E+01 mv 6 5 63 104 0 + 4 e 410 170 etot -7.1266E+01 mv 6 5 131 140 0 + 4 e 312 162 etot -6.4766E+01 mv 6 5 131 89 0 + 4 e 491 167 etot -6.9067E+01 mv 6 5 131 6 0 + -1 e 1 214 etot 1.3528E+20 mv 2 5 6 -180 0 + 4 e 438 149 etot -6.3503E+01 mv 6 5 5 175 0 c 175 132.1 0.6 + 4 e 596 137 etot -4.9942E+01 mv 6 5 77 56 0 + 4 e 394 179 etot -5.4404E+01 mv 6 5 73 138 0 + 4 e 432 174 etot -6.4077E+01 mv 6 5 73 66 0 f 13 737.7 5.5 + -1 e 1 219 etot 1.3528E+20 mv 2 5 90 -181 0 + 4 e 402 178 etot -5.7841E+01 mv 6 5 73 181 0 + 4 e 235 191 etot -5.2968E+01 mv 6 5 63 7 0 + 4 e 275 190 etot -5.5638E+01 mv 6 5 162 190 0 + 4 e 450 175 etot -6.9283E+01 mv 6 5 73 126 0 c 73 5.0 0.0 + 4 e 204 203 etot -6.0479E+01 mv 2 5 75 -156 0 + 4 e 278 193 etot -6.6914E+01 mv 6 5 63 176 0 + 4 e 179 210 etot -7.7845E+01 mv 2 5 142 -194 0 + 4 e 646 141 etot -6.7644E+01 mv 6 5 5 172 0 + 4 e 501 176 etot -5.7172E+01 mv 6 5 73 95 0 + 4 e 246 207 etot -6.0437E+01 mv 2 5 142 -26 0 + 4 e 139 221 etot -7.3586E+01 mv 2 5 192 -13 0 + 4 e 217 201 etot -5.4965E+01 mv 2 5 75 -101 0 + 4 e 275 209 etot -7.7884E+01 mv 2 5 142 -118 0 + 4 e 254 215 etot -7.7902E+01 mv 2 5 6 -41 0 + 4 e 536 183 etot -6.3336E+01 mv 6 5 162 198 0 c 110 653.2 1.4 + 4 e 476 189 etot -6.7822E+01 mv 6 5 162 129 0 + 4 e 437 192 etot -6.5513E+01 mv 6 5 63 97 0 + 8 e 159 227 etot -6.3988E+01 mv 2 5 143 -168 0 f 12 749.7 5.4 + 4 e 319 211 etot -6.7625E+01 mv 2 5 6 -149 0 + -1 e 1 239 etot 1.3528E+20 mv 2 5 194 -44 0 + 4 e 419 198 etot -7.0952E+01 mv 6 5 63 50 0 c 63 336.1 2.6 + 4 e 533 188 etot -6.7983E+01 mv 6 5 162 120 0 + 4 e 444 195 etot -6.8253E+01 mv 6 5 63 136 0 + -1 e 1 243 etot 1.3528E+20 mv 2 5 36 -136 0 + 4 e 234 222 etot -5.7862E+01 mv 2 5 192 -87 0 + 4 e 362 206 etot -7.5318E+01 mv 2 5 142 -16 0 + 4 e 304 199 etot -6.7088E+01 mv 6 5 63 180 0 + 4 e 267 216 etot -6.2382E+01 mv 2 5 90 -129 0 + 4 e 461 186 etot -6.1249E+01 mv 6 5 162 31 0 + 4 e 347 220 etot -6.8646E+01 mv 2 5 90 -23 0 + 4 e 353 223 etot -6.4139E+01 mv 2 5 192 -187 0 + 4 e 219 236 etot -4.5428E+01 mv 2 5 194 -47 0 + 4 e 172 232 etot -5.2050E+01 mv 2 5 2 -197 0 + -1 e 1 252 etot 1.3528E+20 mv 2 5 125 -112 0 + 4 e 324 217 etot -5.2725E+01 mv 2 5 90 -173 0 + 4 e 426 218 etot -4.0097E+01 mv 2 5 90 -185 0 + 8 e 360 224 etot -6.3996E+01 mv 2 5 192 -82 0 + 4 e 229 241 etot -7.2844E+01 mv 2 5 36 -71 0 c 36 2.6 0.0 + -1 e 1 258 etot 6.9828E+22 mv 2 5 120 -98 0 + 4 e 236 245 etot -5.9222E+01 mv 2 5 36 -183 0 + 4 e 351 231 etot -7.5648E+01 mv 2 5 2 -66 0 + 4 e 459 229 etot -6.7060E+01 mv 2 5 143 -95 0 c 12 530.2 3.1 + 4 e 297 246 etot -5.7377E+01 mv 2 5 190 -188 0 + 4 e 341 237 etot -5.2336E+01 mv 2 5 194 -162 0 + -1 e 1 264 etot 1.3528E+20 mv 2 5 35 -174 0 + 4 e 778 194 etot -6.2234E+01 mv 6 5 63 123 0 f 165 725.5 3.5 + 4 e 396 235 etot -6.7971E+01 mv 2 5 2 -107 0 + -1 e 1 267 etot 1.3528E+20 mv 2 5 77 -142 0 + -1 e 1 268 etot 1.3528E+20 mv 2 5 77 -151 0 + 4 e 248 250 etot -7.0603E+01 mv 2 5 190 -95 0 + 4 e 368 242 etot -6.6535E+01 mv 2 5 36 -111 0 + 4 e 544 225 etot -7.0780E+01 mv 2 5 192 -165 0 + 4 e 146 253 etot -5.4253E+01 mv 2 5 125 -64 0 + 4 e 709 212 etot -5.7162E+01 mv 2 5 6 -136 0 + 4 e 377 228 etot -6.3363E+01 mv 2 5 143 -129 0 + 4 e 402 238 etot -7.3911E+01 mv 2 5 194 -59 0 + 4 e 155 260 etot -7.1731E+01 mv 2 5 120 -14 0 + 4 e 234 256 etot -7.1617E+01 mv 2 5 120 -87 0 + -1 e 1 278 etot 1.3528E+20 mv 2 5 22 -94 0 + 4 e 408 240 etot -5.9743E+01 mv 2 5 194 -84 0 + 4 e 115 265 etot -5.7568E+01 mv 2 5 35 -15 0 + 4 e 237 249 etot -6.1589E+01 mv 2 5 190 -127 0 f 181 767.9 2.9 + -1 e 1 282 etot 1.3528E+20 mv 2 5 131 -124 0 + 4 e 180 262 etot -5.6349E+01 mv 2 5 35 -31 0 + 4 e 164 263 etot -5.8410E+01 mv 2 5 35 -197 0 + 4 e 627 197 etot -6.8179E+01 mv 6 5 63 73 0 c 71 334.4 3.5 + 4 e 669 226 etot -7.6042E+01 mv 2 5 143 -141 0 c 12 469.3 9.0 + 4 e 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192 -26 0 + -1 e 1 348 etot 1.3528E+20 mv 1 5 190 -117 0 + 4 e 400 309 etot -6.1761E+01 mv 1 5 142 -145 0 + -1 e 1 350 etot 1.3528E+20 mv 1 5 190 -99 0 + 4 e 389 295 etot -5.8405E+01 mv 2 5 162 -140 0 + 4 e 497 286 etot -6.9267E+01 mv 2 5 73 -197 0 + 4 e 363 318 etot -7.1083E+01 mv 1 5 90 -15 0 + 4 e 398 317 etot -6.4757E+01 mv 1 5 90 -140 0 + 4 e 455 312 etot -5.8539E+01 mv 1 5 6 -103 0 + 4 e 208 335 etot -7.5929E+01 mv 1 5 2 -104 0 + 4 e 635 297 etot -6.3183E+01 mv 2 5 63 -181 0 + 4 e 144 345 etot -7.2845E+01 mv 1 5 36 -153 0 c 36 1.6 0.0 + 4 e 653 273 etot -4.3913E+01 mv 2 5 5 -190 0 + 4 e 241 336 etot -7.5557E+01 mv 1 5 194 -78 0 + 4 e 329 328 etot -6.9253E+01 mv 1 5 143 -183 0 + 4 e 395 323 etot -7.7339E+01 mv 1 5 192 -176 0 + 4 e 307 337 etot -5.9361E+01 mv 1 5 194 -14 0 + 4 e 360 333 etot -7.1094E+01 mv 1 5 2 -44 0 + 4 e 478 327 etot -6.3646E+01 mv 1 5 143 -148 0 + 4 e 268 343 etot -7.3287E+01 mv 1 5 36 -84 0 c 36 330.9 0.4 + 4 e 232 351 etot -7.5644E+01 mv 1 5 125 -105 0 c 125 2.5 0.0 + 4 e 396 334 etot -7.6092E+01 mv 1 5 2 -105 0 + -1 e 1 369 etot 1.3528E+20 mv 1 5 77 -142 0 + 4 e 342 344 etot -6.9475E+01 mv 1 5 36 -121 0 + 4 e 149 363 etot -6.1666E+01 mv 1 5 35 -146 0 + 4 e 234 354 etot -7.0788E+01 mv 1 5 125 -151 0 + 4 e 381 340 etot -7.5356E+01 mv 1 5 194 -199 0 + 4 e 404 338 etot -7.1041E+01 mv 1 5 194 -12 0 + 4 e 374 341 etot -7.0957E+01 mv 1 5 36 -58 0 + 4 e 246 359 etot -7.1699E+01 mv 1 5 120 -181 0 + 4 e 175 364 etot -6.2257E+01 mv 1 5 35 -155 0 + 4 e 304 355 etot -7.5644E+01 mv 1 5 125 -43 0 + 4 e 409 330 etot -7.2112E+01 mv 1 5 143 -127 0 c 107 407.7 8.6 + 4 e 583 332 etot -6.5333E+01 mv 1 5 2 -41 0 + 4 e 191 360 etot -7.1699E+01 mv 1 5 120 -141 0 + 4 e 485 326 etot -6.7060E+01 mv 1 5 143 -45 0 + 4 e 246 366 etot -7.0242E+01 mv 1 5 77 -150 0 + 4 e 457 347 etot -6.6202E+01 mv 1 5 190 -58 0 c 141 461.9 5.4 + 4 e 195 370 etot -7.0242E+01 mv 1 5 77 -152 0 + 4 e 140 376 etot -6.9680E+01 mv 1 5 22 -52 0 + 4 e 347 361 etot -6.2832E+01 mv 1 5 35 -46 0 + 4 e 263 365 etot -7.0419E+01 mv 1 5 35 -40 0 + 4 e 364 362 etot -6.2691E+01 mv 1 5 35 -63 0 + 4 e 320 368 etot -5.1802E+01 mv 1 5 77 -15 0 + 4 e 500 356 etot -6.4294E+01 mv 1 5 120 -74 0 + 4 e 491 358 etot -6.8874E+01 mv 1 5 120 -19 0 + -1 e 1 393 etot 1.3528E+20 mv 1 5 162 -128 0 + 4 e 215 378 etot -6.9679E+01 mv 1 5 22 -131 0 + 4 e 561 329 etot -6.7462E+01 mv 1 5 143 -12 0 + 4 e 313 375 etot -6.7855E+01 mv 1 5 5 -26 0 + 4 e 311 374 etot -6.1098E+01 mv 1 5 5 -9 0 + 4 e 427 353 etot -6.9985E+01 mv 1 5 125 -26 0 + 4 e 811 331 etot -8.2358E+01 mv 1 5 2 -95 0 c 2 502.0 4.6 + 4 e 182 380 etot -6.7797E+01 mv 1 5 22 -175 0 + 4 e 631 357 etot -6.8975E+01 mv 1 5 120 -160 0 + 4 e 744 346 etot -7.1434E+01 mv 1 5 190 -107 0 c 141 703.9 5.2 + 4 e 374 377 etot -7.1347E+01 mv 1 5 22 -103 0 c 187 624.8 1.6 + 4 e 180 391 etot -6.8498E+01 mv 1 5 162 -70 0 c 162 1.8 0.0 + 4 e 516 349 etot -6.5781E+01 mv 1 5 190 -152 0 + 4 e 485 372 etot -6.8847E+01 mv 1 5 5 -137 0 + 4 e 229 383 etot -4.8149E+01 mv 1 5 131 -186 0 + 4 e 495 373 etot -6.6874E+01 mv 1 5 5 -22 0 + 8 e 153 397 etot -6.3999E+01 mv 1 5 63 -59 0 + 4 e 335 385 etot -7.3481E+01 mv 1 5 131 -10 0 + 4 e 82 403 etot -7.8240E+01 mv 0 5 6 0 0 c 6 1.7 0.0 + 4 e 355 386 etot -5.7183E+01 mv 1 5 73 -22 0 + 4 e 524 371 etot -7.0714E+01 mv 1 5 5 -108 0 + 4 e 91 404 etot -7.1085E+01 mv 0 5 90 0 0 + 4 e 635 367 etot -6.6855E+01 mv 1 5 77 -200 0 + 4 e 233 395 etot -6.8072E+01 mv 1 5 162 -95 0 + 4 e 574 352 etot -5.9243E+01 mv 1 5 125 -97 0 + 4 e 649 339 etot -6.4536E+01 mv 1 5 194 -105 0 + 4 e 140 402 etot -7.8087E+01 mv 0 5 142 0 0 +## N0 total= 17 close= 7 far= 0 %acc 41.2 +## N1 total= 103 close= 12 far= 4 %acc 15.5 +## N2 total= 100 close= 6 far= 5 %acc 11.0 +## N3 total= 0 close= 0 far= 0 %acc 0.0 +## N4 total= 0 close= 0 far= 0 %acc 0.0 +## N5 total= 0 close= 0 far= 0 %acc 0.0 +## N6 total= 200 close= 43 far= 17 %acc 30.0 +## N7 total= 0 close= 0 far= 0 %acc 0.0 +## N8 total= 0 close= 0 far= 0 %acc 0.0 +## N9 total= 0 close= 0 far= 0 %acc 0.0 +##N10 total= 0 close= 0 far= 0 %acc 0.0 +##N11 total= 0 close= 0 far= 0 %acc 0.0 +##N12 total= 0 close= 0 far= 0 %acc 0.0 +##N13 total= 0 close= 0 far= 0 %acc 0.0 +##N14 total= 0 close= 0 far= 0 %acc 0.0 +##N15 total= 0 close= 0 far= 0 %acc 0.0 +##N16 total= 0 close= 0 far= 0 %acc 0.0 +##N17 total= 0 close= 0 far= 0 %acc 0.0 +##N18 total= 0 close= 0 far= 0 %acc 0.0 + Time for refresh 6 0.45 + make_var : nseed= 20 ntry= 420 + Time for make trial 7 0.09 +Nonsetup time 15.69 sec, Eval/s = 60775.88 +Time for iter 7 2.10 sec, Eval/s = 63212.97 + UPDATING 420 + 4 e 627 390 etot -6.0809E+01 mv 1 5 73 -121 0 + 4 e 525 379 etot -7.3249E+01 mv 1 5 22 -129 0 f 93 837.4 14.1 + 4 e 153 414 etot -7.0242E+01 mv 0 5 77 0 0 + 4 e 521 415 etot -7.0781E+01 mv 0 5 5 0 0 + 4 e 743 388 etot -6.3922E+01 mv 1 5 73 -7 0 + 4 e 178 420 etot -6.8353E+01 mv 0 5 63 0 0 + 4 e 105 417 etot -7.3482E+01 mv 0 5 131 0 0 + 4 e 120 409 etot -7.2845E+01 mv 0 5 36 0 0 + 4 e 198 410 etot -7.2246E+01 mv 0 5 190 0 0 c 141 436.1 0.8 + 4 e 143 412 etot -7.1699E+01 mv 0 5 120 0 0 + 4 e 122 405 etot -7.3586E+01 mv 0 5 192 0 0 + 4 e 118 413 etot -7.0420E+01 mv 0 5 35 0 0 + 4 e 172 407 etot -7.5929E+01 mv 0 5 2 0 0 + 4 e 92 416 etot -6.9680E+01 mv 0 5 22 0 0 + 4 e 445 389 etot -6.9284E+01 mv 1 5 73 -189 0 c 73 16.6 0.0 + 4 e 377 392 etot -5.6523E+01 mv 1 5 162 -197 0 + 4 e 449 387 etot -6.9628E+01 mv 1 5 73 -44 0 c 73 30.4 0.3 + 4 e 317 394 etot -6.6731E+01 mv 1 5 162 -110 0 + 4 e 249 400 etot -6.7943E+01 mv 1 5 63 -118 0 + 4 e 89 411 etot -7.5644E+01 mv 0 5 125 0 0 c 125 1.1 0.0 + -1 e 1 13 etot 1.3528E+20 mv 6 6 170 165 0 + 4 e 471 384 etot -7.2891E+01 mv 1 5 131 -60 0 + 4 e 493 398 etot -5.7740E+01 mv 1 5 63 -124 0 + 4 e 653 381 etot -7.4914E+01 mv 1 5 131 -143 0 + 4 e 116 419 etot -6.8498E+01 mv 0 5 162 0 0 c 162 1.0 0.0 + -1 e 1 18 etot 1.3528E+20 mv 6 6 170 155 0 + 4 e 191 418 etot -6.9285E+01 mv 0 5 73 0 0 + 4 e 513 396 etot -6.1996E+01 mv 1 5 63 -130 0 + 4 e 420 399 etot -5.4873E+01 mv 1 5 63 -130 0 + 4 e 145 406 etot -7.3074E+01 mv 0 5 143 0 0 c 107 183.0 1.0 + 4 e 89 408 etot -7.5357E+01 mv 0 5 194 0 0 + 4 e 355 382 etot -7.0910E+01 mv 1 5 131 -85 0 + 4 e 178 401 etot -5.8222E+01 mv 0 5 75 0 0 + 4 e 252 32 etot -7.5212E+01 mv 6 6 22 189 0 + 4 e 239 17 etot -8.3648E+01 mv 6 6 170 39 0 + 4 e 284 30 etot -6.8194E+01 mv 6 6 192 183 0 + 4 e 287 11 etot -7.0176E+01 mv 6 6 170 86 0 c 86 8.7 0.0 + 4 e 272 22 etot -7.8989E+01 mv 6 6 192 164 0 c 192 102.4 1.6 + 4 e 282 2 etot -7.1125E+01 mv 6 6 80 153 0 + 4 e 292 23 etot -6.1040E+01 mv 6 6 192 21 0 c 21 235.0 0.4 + 4 e 302 16 etot -6.1197E+01 mv 6 6 170 88 0 + 4 e 329 4 etot -7.3132E+01 mv 6 6 80 81 0 c 80 2.2 0.0 + 4 e 305 31 etot -7.3084E+01 mv 6 6 22 128 0 + 4 e 318 33 etot -6.9867E+01 mv 6 6 22 29 0 f 123 763.5 10.7 + 4 e 329 10 etot -6.1644E+01 mv 6 6 80 82 0 + 4 e 347 7 etot -7.0713E+01 mv 6 6 80 169 0 c 169 383.1 0.4 + 4 e 309 26 etot -7.7474E+01 mv 6 6 192 49 0 + 4 e 315 24 etot -7.9302E+01 mv 6 6 192 78 0 c 134 644.2 3.5 + 4 e 360 5 etot -6.8172E+01 mv 6 6 80 77 0 + 4 e 319 8 etot -6.2627E+01 mv 6 6 80 110 0 f 157 758.4 3.4 + 4 e 320 21 etot -7.3673E+01 mv 6 6 192 106 0 + 4 e 310 1 etot -7.1959E+01 mv 6 6 80 72 0 + 4 e 309 25 etot -7.0329E+01 mv 6 6 192 187 0 + 4 e 307 28 etot -7.3796E+01 mv 6 6 192 106 0 + 4 e 145 35 etot -4.8495E+01 mv 6 6 22 17 0 + 4 e 139 42 etot -6.3134E+01 mv 6 6 70 48 0 c 48 1.6 0.0 + -1 e 1 56 etot 1.3528E+20 mv 6 6 120 187 0 + 4 e 384 19 etot -7.2037E+01 mv 6 6 170 106 0 + -1 e 1 58 etot 4.2748E+28 mv 6 6 120 37 0 + 4 e 496 6 etot -6.8024E+01 mv 6 6 80 69 0 + 4 e 394 15 etot -8.0199E+01 mv 6 6 170 144 0 c 170 321.7 1.0 + -1 e 1 61 etot 1.3528E+20 mv 6 6 190 138 0 + -1 e 1 62 etot 1.3528E+20 mv 6 6 190 37 0 + 4 e 442 9 etot -6.6014E+01 mv 6 6 80 116 0 f 166 830.1 6.8 + 4 e 434 12 etot -7.4182E+01 mv 6 6 170 2 0 + 4 e 508 3 etot -7.5274E+01 mv 6 6 80 43 0 + 4 e 160 41 etot -6.2121E+01 mv 6 6 70 19 0 + -1 e 1 67 etot 6.0147E+20 mv 6 6 190 21 0 + 4 e 451 29 etot -6.2466E+01 mv 6 6 192 156 0 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e 171 392 etot -5.7670E+01 mv 1 6 108 -200 0 + 4 e 727 348 etot -7.1762E+01 mv 1 6 35 -195 0 + 4 e 90 401 etot -7.3133E+01 mv 0 6 80 0 0 + 4 e 193 381 etot -7.1285E+01 mv 1 6 199 -144 0 c 199 1.6 0.0 + 4 e 378 367 etot -5.5502E+01 mv 1 6 63 -143 0 + 4 e 105 402 etot -7.9217E+01 mv 0 6 170 0 0 + 4 e 527 368 etot -7.0952E+01 mv 1 6 63 -184 0 + 4 e 99 403 etot -7.7367E+01 mv 0 6 192 0 0 + 4 e 339 378 etot -6.5558E+01 mv 1 6 188 -90 0 + 4 e 520 371 etot -7.3579E+01 mv 1 6 107 -129 0 c 107 193.4 0.5 + 4 e 111 404 etot -7.6100E+01 mv 0 6 22 0 0 + 4 e 197 398 etot -6.2315E+01 mv 1 6 85 -52 0 f 122 737.5 1.3 + 4 e 97 406 etot -7.3302E+01 mv 0 6 120 0 0 + 4 e 488 374 etot -7.1875E+01 mv 1 6 107 -20 0 + 4 e 64 412 etot -7.1459E+01 mv 0 6 50 0 0 +## N0 total= 23 close= 4 far= 0 %acc 17.4 +## N1 total= 97 close= 11 far= 6 %acc 17.5 +## N2 total= 100 close= 8 far= 6 %acc 14.0 +## N3 total= 0 close= 0 far= 0 %acc 0.0 +## N4 total= 0 close= 0 far= 0 %acc 0.0 +## N5 total= 0 close= 0 far= 0 %acc 0.0 +## N6 total= 200 close= 40 far= 23 %acc 31.5 +## N7 total= 0 close= 0 far= 0 %acc 0.0 +## N8 total= 0 close= 0 far= 0 %acc 0.0 +## N9 total= 0 close= 0 far= 0 %acc 0.0 +##N10 total= 0 close= 0 far= 0 %acc 0.0 +##N11 total= 0 close= 0 far= 0 %acc 0.0 +##N12 total= 0 close= 0 far= 0 %acc 0.0 +##N13 total= 0 close= 0 far= 0 %acc 0.0 +##N14 total= 0 close= 0 far= 0 %acc 0.0 +##N15 total= 0 close= 0 far= 0 %acc 0.0 +##N16 total= 0 close= 0 far= 0 %acc 0.0 +##N17 total= 0 close= 0 far= 0 %acc 0.0 +##N18 total= 0 close= 0 far= 0 %acc 0.0 + Time for refresh 7 0.29 + make_var : nseed= 20 ntry= 420 + Time for make trial 8 0.05 +Nonsetup time 17.55 sec, Eval/s = 61781.16 +Time for iter 8 1.86 sec, Eval/s = 70247.04 + UPDATING 420 + 4 e 112 414 etot -7.0953E+01 mv 0 6 63 0 0 + 4 e 127 416 etot -7.2965E+01 mv 0 6 188 0 0 + 4 e 146 415 etot -7.2114E+01 mv 0 6 107 0 0 + 4 e 656 391 etot -7.0414E+01 mv 1 6 108 -60 0 + 4 e 587 384 etot -6.9872E+01 mv 1 6 199 -80 0 + 4 e 574 388 etot -6.7080E+01 mv 1 6 66 -184 0 + 4 e 88 418 etot -7.0664E+01 mv 0 6 66 0 0 c 66 1.7 0.0 + 4 e 512 375 etot -7.1942E+01 mv 1 6 107 -75 0 + 4 e 471 390 etot -7.0662E+01 mv 1 6 66 -164 0 + 4 e 332 394 etot -6.8856E+01 mv 1 6 108 -103 0 + 4 e 334 395 etot -6.1626E+01 mv 1 6 108 -34 0 + 4 e 418 380 etot -7.4265E+01 mv 1 6 188 -5 0 c 178 173.1 1.3 + 4 e 167 411 etot -7.8390E+01 mv 0 6 161 0 0 + 4 e 145 407 etot -7.2370E+01 mv 0 6 190 0 0 c 190 2.7 0.0 + 4 e 122 419 etot -7.0079E+01 mv 0 6 108 0 0 + 4 e 496 382 etot -6.4837E+01 mv 1 6 199 -171 0 + 4 e 146 408 etot -7.3715E+01 mv 0 6 104 0 0 + 4 e 783 352 etot -6.8657E+01 mv 1 6 161 -126 0 f 14 772.6 7.6 + 4 e 592 387 etot -6.6166E+01 mv 1 6 66 -91 0 + 4 e 395 397 etot -6.5772E+01 mv 1 6 85 -107 0 c 21 341.4 1.8 + 4 e 67 420 etot -7.0036E+01 mv 0 6 85 0 0 c 21 261.8 4.3 + 4 e 149 417 etot -7.1285E+01 mv 0 6 199 0 0 c 199 0.8 0.0 + 4 e 59 413 etot -7.1339E+01 mv 0 6 90 0 0 c 137 238.2 2.0 + 4 e 441 377 etot -6.9559E+01 mv 1 6 188 -107 0 + 4 e 268 400 etot -6.6530E+01 mv 1 6 85 -145 0 + 4 e 123 410 etot -7.1747E+01 mv 0 6 35 0 0 + 4 e 464 396 etot -6.4780E+01 mv 1 6 85 -121 0 + 4 e 564 409 etot -7.7065E+01 mv 0 6 150 0 0 c 150 2.4 0.0 + 4 e 112 405 etot -7.6509E+01 mv 0 6 70 0 0 + 4 e 531 379 etot -7.0385E+01 mv 1 6 188 -170 0 + 4 e 241 389 etot -6.4830E+01 mv 1 6 66 -191 0 + 4 e 94 20 etot -6.8789E+01 mv 6 7 70 153 0 c 153 0.3 0.0 + -1 e 1 32 etot 1.3528E+20 mv 6 7 191 82 0 + 4 e 136 26 etot -6.6208E+01 mv 6 7 142 6 0 f 62 732.4 5.1 + 4 e 148 3 etot -5.8339E+01 mv 6 7 200 186 0 + 4 e 160 12 etot -7.0682E+01 mv 6 7 70 154 0 c 123 640.3 0.8 + 4 e 192 31 etot -8.0252E+01 mv 6 7 191 119 0 + 4 e 189 21 etot -7.8721E+01 mv 6 7 142 181 0 + 4 e 196 30 etot -7.8325E+01 mv 6 7 142 140 0 + 4 e 236 17 etot -7.7484E+01 mv 6 7 70 142 0 + 4 e 210 22 etot -7.0033E+01 mv 6 7 142 52 0 + 4 e 245 27 etot -7.9835E+01 mv 6 7 142 172 0 c 142 2.0 0.0 + 4 e 248 25 etot -7.8902E+01 mv 6 7 142 70 0 + 4 e 223 15 etot -7.7236E+01 mv 6 7 70 196 0 + 4 e 252 1 etot 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etot -6.8843E+01 mv 6 7 161 116 0 + 4 e 193 47 etot -6.1658E+01 mv 6 7 161 16 0 f 40 716.1 0.3 + 4 e 316 36 etot -8.2135E+01 mv 6 7 191 140 0 c 191 314.6 1.6 + 4 e 494 9 etot -7.2138E+01 mv 6 7 200 194 0 c 200 306.9 0.5 + 4 e 242 41 etot -6.8777E+01 mv 6 7 161 16 0 c 40 304.9 7.1 + 4 e 261 51 etot -7.6679E+01 mv 6 7 150 104 0 + 4 e 501 29 etot -7.4039E+01 mv 6 7 142 74 0 + 4 e 276 46 etot -8.2656E+01 mv 6 7 161 115 0 + 4 e 239 45 etot -6.6167E+01 mv 6 7 161 21 0 + 4 e 282 53 etot -7.6143E+01 mv 6 7 150 86 0 + 4 e 539 28 etot -7.9579E+01 mv 6 7 142 115 0 + 4 e 271 55 etot -6.9927E+01 mv 6 7 150 120 0 f 15 727.7 8.4 + 4 e 323 43 etot -8.4552E+01 mv 6 7 161 104 0 c 161 89.6 0.4 + 4 e 637 11 etot -7.0188E+01 mv 6 7 70 147 0 f 31 674.7 8.6 + 4 e 657 13 etot -7.3165E+01 mv 6 7 70 183 0 + 4 e 469 40 etot -7.5081E+01 mv 6 7 191 92 0 c 197 567.0 2.5 + 4 e 694 18 etot -7.9132E+01 mv 6 7 70 67 0 c 182 648.8 11.4 + 4 e 256 71 etot -5.6420E+01 mv 6 7 93 141 0 + 4 e 484 38 etot -8.2539E+01 mv 6 7 191 157 0 c 191 328.6 0.4 + 4 e 169 68 etot -6.1533E+01 mv 6 7 23 42 0 + 4 e 329 49 etot -8.3462E+01 mv 6 7 161 33 0 + -1 e 1 78 etot 1.3528E+20 mv 6 7 93 41 0 + 4 e 233 64 etot -5.8626E+01 mv 6 7 23 165 0 + 4 e 439 37 etot -7.0016E+01 mv 6 7 191 193 0 + -1 e 1 86 etot 1.3528E+20 mv 6 7 41 156 0 + 4 e 512 54 etot -6.7105E+01 mv 6 7 150 34 0 + 4 e 203 70 etot -7.5530E+01 mv 6 7 23 127 0 c 23 3.0 0.0 + 4 e 461 48 etot -7.8457E+01 mv 6 7 161 45 0 + 4 e 438 57 etot -6.8594E+01 mv 6 7 150 129 0 + 4 e 321 69 etot -6.3259E+01 mv 6 7 23 188 0 + -1 e 1 92 etot 1.3528E+20 mv 6 7 143 23 0 + 4 e 641 35 etot -7.0999E+01 mv 6 7 191 165 0 f 128 698.6 9.4 + 4 e 335 63 etot -6.1080E+01 mv 6 7 23 136 0 + 4 e 290 59 etot -8.2795E+01 mv 6 7 150 161 0 + 4 e 264 75 etot -6.9233E+01 mv 6 7 93 102 0 + 4 e 445 52 etot -6.4536E+01 mv 6 7 150 44 0 + 4 e 214 74 etot -5.9350E+01 mv 6 7 93 87 0 + 4 e 396 60 etot -7.0787E+01 mv 6 7 150 114 0 + 4 e 424 73 etot -6.8314E+01 mv 6 7 93 61 0 + 4 e 362 67 etot -7.1631E+01 mv 6 7 23 81 0 + -1 e 1 103 etot 1.3528E+20 mv 6 7 19 22 0 + -1 e 1 104 etot 1.3528E+20 mv 6 7 19 143 0 + 4 e 177 91 etot -6.3387E+01 mv 6 7 143 15 0 + 8 e 182 89 etot -6.3993E+01 mv 6 7 41 139 0 + -1 e 1 107 etot 1.3528E+20 mv 6 7 19 150 0 + 4 e 506 58 etot -6.5590E+01 mv 6 7 150 135 0 + 4 e 476 72 etot -6.9455E+01 mv 6 7 93 181 0 + 4 e 226 85 etot -7.3740E+01 mv 6 7 41 93 0 c 41 45.1 1.2 + 4 e 509 65 etot -7.6510E+01 mv 6 7 23 155 0 c 118 516.8 3.3 + 4 e 552 66 etot -7.0421E+01 mv 6 7 23 194 0 + 4 e 280 76 etot -7.0172E+01 mv 6 7 93 128 0 + -1 e 1 113 etot 1.3528E+20 mv 6 7 56 104 0 + 4 e 247 99 etot -6.4144E+01 mv 6 7 143 180 0 + 4 e 283 82 etot -7.0726E+01 mv 6 7 41 110 0 + 4 e 306 95 etot -7.6089E+01 mv 6 7 143 43 0 + 4 e 485 62 etot -7.7528E+01 mv 6 7 23 164 0 c 23 499.0 2.0 + 4 e 351 80 etot -6.5959E+01 mv 6 7 93 109 0 + -1 e 1 120 etot 1.3214E+20 mv 6 7 56 189 0 + -1 e 1 121 etot 1.3528E+20 mv 6 7 141 36 0 + -1 e 1 122 etot 1.3528E+20 mv 6 7 141 65 0 + 4 e 195 105 etot -6.7744E+01 mv 6 7 19 1 0 + 4 e 304 98 etot -6.9765E+01 mv 6 7 143 56 0 f 168 697.3 8.2 + 4 e 359 81 etot -5.9265E+01 mv 6 7 41 31 0 + 4 e 191 108 etot -6.3487E+01 mv 6 7 19 197 0 + 4 e 253 84 etot -6.1294E+01 mv 6 7 41 28 0 + 4 e 586 56 etot -7.4366E+01 mv 6 7 150 118 0 + -1 e 1 129 etot 1.3528E+20 mv 6 7 141 92 0 + 4 e 411 79 etot -7.3425E+01 mv 6 7 93 111 0 c 93 147.2 0.2 + 4 e 299 88 etot -6.1603E+01 mv 6 7 41 65 0 + 4 e 382 97 etot -6.9804E+01 mv 6 7 143 184 0 f 52 675.5 8.2 + 4 e 420 77 etot -7.2164E+01 mv 6 7 93 142 0 f 20 829.7 10.5 + 4 e 357 101 etot -7.0925E+01 mv 6 7 19 104 0 + 4 e 415 94 etot -7.7326E+01 mv 6 7 143 71 0 c 143 115.7 0.1 + 4 e 259 106 etot -6.3811E+01 mv 6 7 19 61 0 + 4 e 216 110 etot -7.2193E+01 mv 6 7 19 27 0 + 4 e 204 112 etot -7.4446E+01 mv 6 7 56 171 0 c 56 81.1 1.1 + 4 e 179 118 etot -6.9834E+01 mv 6 7 56 196 0 c 196 147.1 0.7 + 4 e 324 109 etot -6.7783E+01 mv 6 7 19 172 0 f 135 665.3 5.9 + -1 e 1 141 etot 1.3528E+20 mv 6 7 88 145 0 + 4 e 145 126 etot -5.8206E+01 mv 6 7 141 164 0 + 4 e 535 83 etot -6.9052E+01 mv 6 7 41 32 0 c 32 436.8 2.0 + 4 e 485 96 etot -7.2114E+01 mv 6 7 143 43 0 f 180 668.3 10.3 + 4 e 225 125 etot -5.8624E+01 mv 6 7 141 185 0 + 4 e 578 93 etot -8.0102E+01 mv 6 7 143 179 0 c 143 312.1 2.8 + 4 e 476 102 etot -6.3499E+01 mv 6 7 19 102 0 + 4 e 180 136 etot -5.6760E+01 mv 6 7 50 97 0 + 4 e 199 133 etot -7.5103E+01 mv 6 7 50 12 0 + 4 e 193 134 etot -7.0289E+01 mv 6 7 50 196 0 + -1 e 1 151 etot 1.3528E+20 mv 6 7 5 200 0 + 4 e 228 119 etot -6.2452E+01 mv 6 7 56 40 0 f 78 938.7 0.5 + 4 e 455 87 etot -7.0694E+01 mv 6 7 41 54 0 + 4 e 433 111 etot -6.1980E+01 mv 6 7 56 53 0 + 4 e 338 123 etot -6.6195E+01 mv 6 7 141 197 0 + 4 e 303 138 etot -6.8688E+01 mv 6 7 50 80 0 + 4 e 528 90 etot -7.5432E+01 mv 6 7 41 51 0 c 51 43.9 0.4 + -1 e 1 158 etot 1.3528E+20 mv 6 7 5 54 0 + 4 e 184 150 etot -6.5863E+01 mv 6 7 88 169 0 + -1 e 1 160 etot 1.3528E+20 mv 6 7 5 87 0 + 4 e 268 145 etot -6.9079E+01 mv 6 7 88 74 0 + 4 e 514 116 etot -7.5846E+01 mv 6 7 56 25 0 c 108 406.5 5.4 + 4 e 503 100 etot -6.8709E+01 mv 6 7 143 181 0 c 181 338.8 1.0 + -1 e 1 163 etot 2.3273E+20 mv 6 7 63 155 0 + 4 e 316 142 etot -7.2064E+01 mv 6 7 88 69 0 c 88 41.6 0.4 + 4 e 438 127 etot -6.3007E+01 mv 6 7 141 103 0 + 4 e 262 146 etot -6.2495E+01 mv 6 7 88 180 0 f 89 744.4 0.5 + -1 e 1 168 etot 1.3528E+20 mv 6 7 63 189 0 + 4 e 380 139 etot -7.1608E+01 mv 6 7 50 96 0 + 4 e 516 124 etot -5.8290E+01 mv 6 7 141 127 0 + 4 e 330 130 etot -6.1466E+01 mv 6 7 141 172 0 + 4 e 348 144 etot -6.9541E+01 mv 6 7 88 70 0 + -1 e 1 173 etot 1.3528E+20 mv 6 7 124 43 0 + 4 e 480 135 etot -6.0197E+01 mv 6 7 50 47 0 + 4 e 526 131 etot -7.0709E+01 mv 6 7 50 49 0 + 4 e 255 156 etot -5.8267E+01 mv 6 7 5 130 0 + 4 e 376 132 etot -6.0289E+01 mv 6 7 50 43 0 + 4 e 683 115 etot -6.1732E+01 mv 6 7 56 110 0 + 4 e 655 117 etot -8.5171E+01 mv 6 7 56 104 0 c 104 481.6 5.5 + 4 e 254 157 etot -6.5706E+01 mv 6 7 5 108 0 + 4 e 526 140 etot -6.5761E+01 mv 6 7 50 28 0 + 4 e 399 147 etot -7.3131E+01 mv 6 7 88 114 0 c 123 459.7 2.4 + 4 e 262 161 etot -5.5737E+01 mv 6 7 63 153 0 + 4 e 320 155 etot -6.9602E+01 mv 6 7 5 194 0 + 4 e 689 137 etot -5.9756E+01 mv 6 7 50 30 0 + 4 e 451 143 etot -6.4431E+01 mv 6 7 88 193 0 f 147 700.7 2.3 + 4 e 181 174 etot -7.4469E+01 mv 6 7 124 114 0 + 4 e 453 114 etot -7.8657E+01 mv 6 7 56 24 0 c 56 372.4 4.2 + 4 e 212 164 etot -7.0522E+01 mv 6 7 63 55 0 + 4 e 260 153 etot -7.0684E+01 mv 6 7 5 33 0 + 4 e 222 177 etot -7.2758E+01 mv 6 7 124 189 0 + 4 e 150 178 etot -7.4361E+01 mv 6 7 124 106 0 + 4 e 212 180 etot -7.3068E+01 mv 6 7 124 131 0 + 4 e 363 170 etot -6.7379E+01 mv 6 7 63 111 0 f 3 776.5 5.2 + 4 e 607 149 etot -7.0483E+01 mv 6 7 88 68 0 + -1 e 1 196 etot 1.3528E+20 mv 6 7 178 101 0 + 4 e 617 148 etot -7.3201E+01 mv 6 7 88 10 0 c 88 204.0 1.1 + 4 e 312 175 etot -5.6275E+01 mv 6 7 124 102 0 + 4 e 242 172 etot -7.5128E+01 mv 6 7 124 79 0 + 4 e 261 179 etot -6.4498E+01 mv 6 7 124 121 0 + 4 e 299 176 etot -7.6139E+01 mv 6 7 124 49 0 + 4 e 397 171 etot -7.5545E+01 mv 6 7 124 36 0 c 15 396.8 5.6 + -1 e 1 203 etot 1.3528E+20 mv 2 7 200 -104 0 + 4 e 538 128 etot -6.1850E+01 mv 6 7 141 194 0 + 4 e 473 167 etot -6.1813E+01 mv 6 7 63 16 0 + 4 e 442 154 etot -6.0727E+01 mv 6 7 5 83 0 + 4 e 504 169 etot -6.7489E+01 mv 6 7 63 68 0 + -1 e 1 208 etot 1.3528E+20 mv 2 7 70 -151 0 + 4 e 407 159 etot -7.0365E+01 mv 6 7 5 169 0 + 4 e 553 162 etot -6.9590E+01 mv 6 7 63 192 0 + 4 e 568 166 etot -6.5234E+01 mv 6 7 63 127 0 f 39 662.9 3.0 + 4 e 211 192 etot -7.4207E+01 mv 6 7 178 64 0 + 4 e 776 152 etot -7.1734E+01 mv 6 7 5 157 0 f 91 738.2 9.5 + -1 e 1 214 etot 1.3528E+20 mv 2 7 142 -153 0 + 4 e 267 188 etot -6.9098E+01 mv 6 7 104 137 0 + 4 e 270 184 etot -6.4082E+01 mv 6 7 104 166 0 f 165 687.7 1.8 + 4 e 663 165 etot -7.0837E+01 mv 6 7 63 28 0 c 28 401.9 2.5 + 4 e 307 187 etot -7.9223E+01 mv 6 7 104 176 0 + 4 e 262 195 etot -5.8940E+01 mv 6 7 178 164 0 + 8 e 47 217 etot -6.3995E+01 mv 2 7 191 -178 0 + 4 e 370 186 etot -8.0219E+01 mv 6 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-7.4940E+01 mv 2 7 142 -4 0 + 4 e 271 219 etot -7.1681E+01 mv 2 7 191 -114 0 + -1 e 1 243 etot 1.3528E+20 mv 2 7 41 -33 0 + 4 e 328 218 etot -6.7108E+01 mv 2 7 191 -49 0 + 4 e 416 193 etot -6.6848E+01 mv 6 7 178 152 0 + 4 e 183 230 etot -6.3445E+01 mv 2 7 150 -96 0 + 4 e 181 229 etot -6.2897E+01 mv 2 7 150 -6 0 + 4 e 311 221 etot -6.2060E+01 mv 2 7 161 -178 0 + 4 e 159 235 etot -7.4423E+01 mv 2 7 23 -193 0 c 77 464.9 3.9 + 4 e 476 209 etot -8.0583E+01 mv 2 7 70 -54 0 c 70 302.9 3.0 + 4 e 293 222 etot -6.6165E+01 mv 2 7 161 -173 0 f 122 786.1 3.8 + 8 e 156 237 etot -6.3996E+01 mv 2 7 93 -104 0 + 4 e 622 199 etot -7.6632E+01 mv 6 7 178 86 0 c 178 396.6 2.4 + 4 e 346 210 etot -6.9417E+01 mv 2 7 70 -31 0 + 4 e 375 220 etot -7.8797E+01 mv 2 7 191 -75 0 + 4 e 271 227 etot -6.8514E+01 mv 2 7 150 -108 0 + 4 e 619 204 etot -5.9165E+01 mv 2 7 200 -22 0 + -1 e 1 258 etot 1.3528E+20 mv 2 7 56 -98 0 + -1 e 1 259 etot 1.3528E+20 mv 2 7 56 -186 0 + 4 e 440 205 etot -5.7949E+01 mv 2 7 200 -150 0 + 4 e 637 206 etot -6.5937E+01 mv 2 7 70 -110 0 + 4 e 467 216 etot -7.7489E+01 mv 2 7 191 -32 0 c 197 204.7 2.4 + 4 e 376 225 etot -7.2938E+01 mv 2 7 161 -193 0 + 4 e 290 223 etot -7.4099E+01 mv 2 7 161 -166 0 c 40 263.9 5.3 + 4 e 153 256 etot -7.3350E+01 mv 2 7 56 -32 0 + 4 e 484 207 etot -6.3985E+01 mv 2 7 70 -48 0 f 186 666.8 1.6 + -1 e 1 267 etot 1.3528E+20 mv 2 7 50 -192 0 + 4 e 186 254 etot -6.1855E+01 mv 2 7 19 -79 0 + 4 e 223 251 etot -6.2307E+01 mv 2 7 19 -9 0 + 4 e 604 190 etot -7.7370E+01 mv 6 7 104 172 0 + 4 e 245 252 etot -5.4619E+01 mv 2 7 19 -176 0 + 4 e 423 232 etot -4.7851E+01 mv 2 7 23 -85 0 + 4 e 420 238 etot -6.3918E+01 mv 2 7 93 -117 0 f 78 891.3 1.5 + 4 e 290 250 etot -7.0669E+01 mv 2 7 143 -48 0 + 4 e 538 226 etot -7.9394E+01 mv 2 7 150 -27 0 c 150 128.1 2.3 + -1 e 1 276 etot 1.3528E+20 mv 2 7 5 -196 0 + 4 e 190 255 etot -7.2494E+01 mv 2 7 19 -166 0 c 19 2.8 0.0 + 4 e 299 253 etot -7.3281E+01 mv 2 7 19 -159 0 c 19 281.0 0.8 + 4 e 446 241 etot -6.4178E+01 mv 2 7 41 -39 0 + 4 e 252 260 etot -6.2615E+01 mv 2 7 56 -155 0 + 4 e 269 257 etot -5.5251E+01 mv 2 7 56 -183 0 + 4 e 341 234 etot -7.3043E+01 mv 2 7 23 -52 0 + 4 e 504 236 etot -7.2072E+01 mv 2 7 93 -142 0 + 4 e 570 231 etot -7.4745E+01 mv 2 7 23 -153 0 c 77 317.8 0.3 + 4 e 531 242 etot -4.8746E+01 mv 2 7 41 -194 0 + 4 e 374 239 etot -7.2923E+01 mv 2 7 93 -48 0 + 4 e 462 245 etot -7.0318E+01 mv 2 7 41 -147 0 + 4 e 184 272 etot -5.1478E+01 mv 2 7 88 -116 0 + 4 e 203 273 etot -5.7457E+01 mv 2 7 88 -20 0 + 8 e 366 263 etot -6.3997E+01 mv 2 7 141 -59 0 + -1 e 1 291 etot 1.3528E+20 mv 2 7 104 -178 0 + 4 e 175 275 etot -7.1677E+01 mv 2 7 88 -26 0 + 4 e 496 249 etot -7.9273E+01 mv 2 7 143 -124 0 c 12 553.8 2.9 + 4 e 232 265 etot -6.8045E+01 mv 2 7 141 -184 0 f 119 664.8 5.6 + 4 e 538 247 etot -5.3104E+01 mv 2 7 143 -135 0 + 4 e 572 244 etot -6.9851E+01 mv 2 7 41 -24 0 + 4 e 414 262 etot -5.7256E+01 mv 2 7 141 -66 0 + -1 e 1 298 etot 1.3528E+20 mv 2 7 178 -123 0 + 4 e 309 270 etot -7.0358E+01 mv 2 7 50 -155 0 + -1 e 1 300 etot 1.3528E+20 mv 2 7 178 -188 0 + 4 e 543 248 etot -7.5424E+01 mv 2 7 143 -91 0 + 4 e 150 286 etot -6.7190E+01 mv 2 7 124 -179 0 + 4 e 241 280 etot -6.1179E+01 mv 2 7 5 -66 0 + 4 e 283 274 etot -7.2188E+01 mv 2 7 88 -31 0 + 4 e 404 246 etot -7.4119E+01 mv 2 7 143 -195 0 c 180 453.1 2.0 + 4 e 131 290 etot -7.6476E+01 mv 2 7 124 -135 0 c 124 1.7 0.0 + 4 e 246 284 etot -5.5338E+01 mv 2 7 63 -14 0 + 4 e 270 279 etot -7.1584E+01 mv 2 7 5 -178 0 c 5 3.0 0.0 + 4 e 409 266 etot -7.2763E+01 mv 2 7 50 -170 0 c 50 74.0 0.8 + 4 e 132 293 etot -5.4519E+01 mv 2 7 104 -17 0 + 4 e 174 296 etot -5.8733E+01 mv 2 7 178 -16 0 + 4 e 256 289 etot -5.7279E+01 mv 2 7 124 -167 0 + 4 e 494 269 etot -6.9114E+01 mv 2 7 50 -83 0 + 4 e 339 268 etot -5.9958E+01 mv 2 7 50 -73 0 + 8 e 143 308 etot -6.3985E+01 mv 1 7 70 -7 0 + 4 e 328 288 etot -7.5445E+01 mv 2 7 124 -83 0 + 4 e 641 264 etot -6.6208E+01 mv 2 7 141 -110 0 + 4 e 247 305 etot -6.1583E+01 mv 1 7 200 -16 0 + 4 e 287 301 etot -6.0404E+01 mv 1 7 200 -193 0 + -1 e 1 320 etot 1.3528E+20 mv 1 7 191 -161 0 + 4 e 498 261 etot -7.0237E+01 mv 2 7 141 -124 0 + 4 e 517 281 etot -7.1370E+01 mv 2 7 63 -94 0 + 4 e 331 297 etot -7.1357E+01 mv 2 7 178 -165 0 + 4 e 312 302 etot -5.7757E+01 mv 1 7 200 -181 0 + 4 e 352 283 etot -5.5525E+01 mv 2 7 63 -109 0 + 4 e 252 310 etot -7.7536E+01 mv 1 7 70 -98 0 + 4 e 455 271 etot -6.5315E+01 mv 2 7 88 -12 0 + 4 e 579 282 etot -5.5069E+01 mv 2 7 63 -73 0 + 4 e 534 285 etot -7.1402E+01 mv 2 7 63 -45 0 c 169 373.8 0.7 + 4 e 360 303 etot -6.1886E+01 mv 1 7 200 -46 0 + 4 e 652 277 etot -6.1185E+01 mv 2 7 5 -157 0 + 4 e 359 311 etot -7.9870E+01 mv 1 7 142 -196 0 c 142 31.8 0.0 + 4 e 448 304 etot -6.1583E+01 mv 1 7 200 -176 0 + 4 e 534 292 etot -7.7446E+01 mv 2 7 104 -164 0 + 4 e 206 315 etot -7.9835E+01 mv 1 7 142 -193 0 + 4 e 369 312 etot -6.0650E+01 mv 1 7 142 -37 0 + 4 e 559 294 etot -7.3367E+01 mv 2 7 104 -103 0 + 4 e 136 328 etot -6.1787E+01 mv 1 7 150 -1 0 + 4 e 244 319 etot -8.1905E+01 mv 1 7 191 -196 0 + 4 e 462 287 etot -6.8178E+01 mv 2 7 124 -186 0 + 4 e 234 323 etot -8.4197E+01 mv 1 7 161 -132 0 + 4 e 317 317 etot -8.1213E+01 mv 1 7 191 -74 0 + 4 e 514 278 etot -6.3449E+01 mv 2 7 5 -180 0 f 89 772.3 1.0 + 4 e 344 316 etot -8.2242E+01 mv 1 7 191 -107 0 + -1 e 1 345 etot 1.3528E+20 mv 1 7 41 -107 0 + 4 e 389 314 etot -7.9115E+01 mv 1 7 142 -40 0 + 4 e 296 329 etot -7.6575E+01 mv 1 7 150 -71 0 + 4 e 346 324 etot -8.4546E+01 mv 1 7 161 -29 0 + 4 e 641 309 etot -6.4088E+01 mv 1 7 70 -190 0 c 186 410.9 0.1 + 4 e 387 321 etot -7.5907E+01 mv 1 7 161 -23 0 + 4 e 202 335 etot -7.4424E+01 mv 1 7 23 -162 0 + 4 e 364 325 etot -8.1900E+01 mv 1 7 161 -140 0 + 4 e 711 299 etot -7.0178E+01 mv 2 7 178 -95 0 + 4 e 652 307 etot -7.6737E+01 mv 1 7 70 -79 0 + 4 e 527 295 etot -6.9572E+01 mv 2 7 104 -91 0 c 135 483.0 1.8 + 4 e 257 334 etot -7.5239E+01 mv 1 7 23 -2 0 c 77 234.8 0.5 + 4 e 378 330 etot -6.9518E+01 mv 1 7 150 -176 0 + 4 e 525 318 etot -7.5811E+01 mv 1 7 191 -6 0 + 4 e 449 327 etot -6.0253E+01 mv 1 7 150 -199 0 + 4 e 659 313 etot -7.3926E+01 mv 1 7 142 -98 0 + 4 e 253 347 etot -7.6759E+01 mv 1 7 143 -108 0 c 180 370.4 2.6 + 4 e 292 343 etot -6.9703E+01 mv 1 7 41 -34 0 + 4 e 379 322 etot -6.5405E+01 mv 1 7 161 -150 0 + 4 e 165 350 etot -7.6911E+01 mv 1 7 143 -118 0 c 180 91.0 0.2 + 8 e 99 357 etot -6.3996E+01 mv 1 7 56 -175 0 f 55 677.7 1.5 + 4 e 480 331 etot -6.6570E+01 mv 1 7 23 -110 0 + 4 e 183 352 etot -5.8399E+01 mv 1 7 19 -171 0 + -1 e 1 367 etot 1.3528E+20 mv 1 7 50 -142 0 + 4 e 320 342 etot -7.2550E+01 mv 1 7 41 -35 0 + 4 e 263 336 etot -6.1788E+01 mv 1 7 93 -151 0 + 4 e 170 355 etot -6.2326E+01 mv 1 7 19 -82 0 + -1 e 1 372 etot 1.3528E+20 mv 1 7 88 -139 0 + 4 e 602 306 etot -7.8035E+01 mv 1 7 70 -98 0 + 4 e 489 333 etot -7.1661E+01 mv 1 7 23 -5 0 + 4 e 287 353 etot -6.2414E+01 mv 1 7 19 -61 0 + 4 e 288 351 etot -7.2493E+01 mv 1 7 19 -39 0 + 4 e 452 338 etot -7.3425E+01 mv 1 7 93 -124 0 c 93 1.9 0.0 + -1 e 1 378 etot 1.3528E+20 mv 1 7 5 -139 0 + -1 e 1 379 etot 1.3528E+20 mv 1 7 5 -58 0 + 4 e 284 354 etot -7.2493E+01 mv 1 7 19 -50 0 + 4 e 315 341 etot -7.2551E+01 mv 1 7 41 -166 0 + -1 e 1 382 etot 1.5403E+21 mv 1 7 63 -25 0 + 4 e 148 369 etot -6.0510E+01 mv 1 7 50 -112 0 + 4 e 621 332 etot -5.3409E+01 mv 1 7 23 -44 0 + -1 e 1 385 etot 1.3528E+20 mv 1 7 63 -41 0 + 4 e 493 340 etot -7.2862E+01 mv 1 7 93 -81 0 + 4 e 340 344 etot -6.5635E+01 mv 1 7 41 -27 0 + 4 e 320 358 etot -6.1760E+01 mv 1 7 56 -155 0 + 4 e 403 349 etot -7.7617E+01 mv 1 7 143 -151 0 c 180 193.1 0.7 + 4 e 304 360 etot -7.1125E+01 mv 1 7 56 -78 0 + 4 e 212 366 etot -6.9479E+01 mv 1 7 50 -192 0 + 4 e 435 348 etot -6.7034E+01 mv 1 7 143 -77 0 + 4 e 534 346 etot -7.8262E+01 mv 1 7 143 -191 0 c 119 475.5 10.2 + 4 e 268 356 etot -5.3684E+01 mv 1 7 56 -164 0 + 4 e 246 370 etot -7.1113E+01 mv 1 7 50 -95 0 + 4 e 618 337 etot -6.9840E+01 mv 1 7 93 -26 0 + 4 e 553 326 etot -7.8032E+01 mv 1 7 150 -59 0 + 4 e 311 361 etot -7.2245E+01 mv 1 7 141 -83 0 + 4 e 204 364 etot -5.3430E+01 mv 1 7 141 -106 0 + 4 e 219 375 etot -6.2582E+01 mv 1 7 88 -73 0 + 4 e 192 380 etot -7.1584E+01 mv 1 7 5 -71 0 c 5 1.5 0.0 + 4 e 334 363 etot -6.1793E+01 mv 1 7 141 -150 0 + 4 e 165 389 etot -7.5019E+01 mv 1 7 124 -22 0 + 4 e 472 359 etot -5.8240E+01 mv 1 7 56 -55 0 + 4 e 67 401 etot -6.1584E+01 mv 0 7 200 0 0 + 4 e 246 381 etot -7.1372E+01 mv 1 7 63 -127 0 c 63 3.0 0.0 + 4 e 96 402 etot -7.7537E+01 mv 0 7 70 0 0 + 4 e 302 376 etot -7.1584E+01 mv 1 7 5 -42 0 + 4 e 506 339 etot -7.3248E+01 mv 1 7 93 -114 0 + 4 e 104 403 etot -7.9835E+01 mv 0 7 142 0 0 + 4 e 221 390 etot -7.6476E+01 mv 1 7 124 -81 0 + 4 e 298 384 etot -6.9973E+01 mv 1 7 63 -160 0 + 4 e 295 386 etot -7.6475E+01 mv 1 7 124 -49 0 + 4 e 457 365 etot -6.9766E+01 mv 1 7 141 -77 0 c 181 211.6 1.1 + 4 e 102 406 etot -7.7066E+01 mv 0 7 150 0 0 + 4 e 298 387 etot -6.5755E+01 mv 1 7 124 -126 0 + 4 e 248 393 etot -7.9700E+01 mv 1 7 104 -101 0 c 135 307.3 10.1 + 4 e 113 404 etot -8.0257E+01 mv 0 7 191 0 0 + 4 e 79 411 etot -7.2494E+01 mv 0 7 19 0 0 +## N0 total= 20 close= 6 far= 0 %acc 30.0 +## N1 total= 100 close= 14 far= 2 %acc 16.0 +## N2 total= 100 close= 17 far= 5 %acc 22.0 +## N3 total= 0 close= 0 far= 0 %acc 0.0 +## N4 total= 0 close= 0 far= 0 %acc 0.0 +## N5 total= 0 close= 0 far= 0 %acc 0.0 +## N6 total= 200 close= 40 far= 19 %acc 29.5 +## N7 total= 0 close= 0 far= 0 %acc 0.0 +## N8 total= 0 close= 0 far= 0 %acc 0.0 +## N9 total= 0 close= 0 far= 0 %acc 0.0 +##N10 total= 0 close= 0 far= 0 %acc 0.0 +##N11 total= 0 close= 0 far= 0 %acc 0.0 +##N12 total= 0 close= 0 far= 0 %acc 0.0 +##N13 total= 0 close= 0 far= 0 %acc 0.0 +##N14 total= 0 close= 0 far= 0 %acc 0.0 +##N15 total= 0 close= 0 far= 0 %acc 0.0 +##N16 total= 0 close= 0 far= 0 %acc 0.0 +##N17 total= 0 close= 0 far= 0 %acc 0.0 +##N18 total= 0 close= 0 far= 0 %acc 0.0 + Time for refresh 8 0.34 + make_var : nseed= 20 ntry= 420 + Time for make trial 9 0.09 +Nonsetup time 19.53 sec, Eval/s = 62288.04 +Time for iter 9 1.97 sec, Eval/s = 66798.76 + UPDATING 420 + 4 e 110 416 etot -7.1585E+01 mv 0 7 5 0 0 c 5 0.7 0.0 + 4 e 578 362 etot -6.5914E+01 mv 1 7 141 -65 0 f 103 795.9 3.4 + 4 e 228 405 etot -8.4197E+01 mv 0 7 161 0 0 + 4 e 480 397 etot -7.1394E+01 mv 1 7 178 -23 0 + 4 e 157 415 etot -7.1677E+01 mv 0 7 88 0 0 + 4 e 585 377 etot -6.6462E+01 mv 1 7 5 -26 0 + 4 e 295 392 etot -7.9915E+01 mv 1 7 104 -141 0 c 135 113.7 0.2 + 4 e 34 420 etot -7.2965E+01 mv 0 7 178 0 0 + 4 e 399 396 etot -7.3934E+01 mv 1 7 178 -18 0 + 4 e 133 408 etot -7.3251E+01 mv 0 7 93 0 0 + 4 e 104 414 etot -7.1964E+01 mv 0 7 50 0 0 + 4 e 89 418 etot -7.6476E+01 mv 0 7 124 0 0 c 124 0.5 0.0 + 4 e 116 409 etot -7.2551E+01 mv 0 7 41 0 0 + 4 e 322 399 etot -6.7677E+01 mv 1 7 178 -83 0 + 4 e 288 394 etot -7.9700E+01 mv 1 7 104 -47 0 + 4 e 126 407 etot -7.5530E+01 mv 0 7 23 0 0 c 77 32.9 0.3 + 4 e 624 373 etot -6.5451E+01 mv 1 7 88 -146 0 + 4 e 110 417 etot -7.1372E+01 mv 0 7 63 0 0 c 63 1.3 0.0 + 4 e 99 412 etot -7.3350E+01 mv 0 7 56 0 0 + 4 e 507 391 etot -7.6521E+01 mv 1 7 104 -47 0 + 4 e 121 419 etot -7.9701E+01 mv 0 7 104 0 0 + 4 e 588 368 etot -7.0608E+01 mv 1 7 50 -109 0 f 113 803.6 8.1 + 4 e 103 413 etot -7.2246E+01 mv 0 7 141 0 0 c 141 0.8 0.0 + 4 e 241 395 etot -7.9700E+01 mv 1 7 104 -30 0 + 4 e 359 398 etot -5.8045E+01 mv 1 7 178 -167 0 + 4 e 450 400 etot -7.0124E+01 mv 1 7 178 -79 0 + 4 e 533 374 etot -6.9005E+01 mv 1 7 88 -135 0 + -1 e 1 21 etot 1.3528E+20 mv 6 8 191 158 0 + 4 e 114 410 etot -7.7233E+01 mv 0 7 143 0 0 + 4 e 350 388 etot -7.1658E+01 mv 1 7 124 -167 0 + 4 e 526 383 etot -5.9097E+01 mv 1 7 63 -34 0 + 4 e 446 371 etot -5.6075E+01 mv 1 7 88 -168 0 + -1 e 1 31 etot 1.3528E+20 mv 6 8 107 166 0 + 8 e 52 4 etot -6.3988E+01 mv 6 8 80 183 0 c 183 228.5 1.0 + 8 e 63 5 etot -6.3998E+01 mv 6 8 80 85 0 + 4 e 111 11 etot -6.6197E+01 mv 6 8 161 64 0 c 64 0.7 0.0 + 4 e 186 25 etot -8.2243E+01 mv 6 8 191 152 0 + 4 e 203 8 etot -7.4846E+01 mv 6 8 80 137 0 c 80 2.4 0.0 + 4 e 236 6 etot -6.3181E+01 mv 6 8 80 160 0 + 4 e 233 9 etot -6.0937E+01 mv 6 8 80 81 0 + 4 e 241 30 etot -8.3762E+01 mv 6 8 191 116 0 c 191 225.9 1.2 + 4 e 256 27 etot -8.2598E+01 mv 6 8 191 147 0 + -1 e 1 42 etot 1.3528E+20 mv 6 8 23 97 0 + 4 e 235 26 etot -6.0673E+01 mv 6 8 191 195 0 + 4 e 289 12 etot -8.4552E+01 mv 6 8 161 102 0 c 161 1.7 0.0 + 4 e 298 3 etot -7.1009E+01 mv 6 8 80 172 0 + 4 e 262 18 etot -7.4740E+01 mv 6 8 161 148 0 + 4 e 321 29 etot -7.1457E+01 mv 6 8 191 195 0 + 4 e 324 32 etot -7.2202E+01 mv 6 8 107 2 0 + 4 e 319 35 etot -7.4023E+01 mv 6 8 107 70 0 + 4 e 315 16 etot -6.6828E+01 mv 6 8 161 115 0 c 115 552.5 2.9 + 4 e 346 2 etot -6.5212E+01 mv 6 8 80 121 0 + 4 e 381 15 etot -6.8302E+01 mv 6 8 161 111 0 f 16 704.4 5.7 + 4 e 385 17 etot -8.0109E+01 mv 6 8 161 186 0 + 4 e 407 10 etot -6.1887E+01 mv 6 8 80 189 0 + 4 e 182 37 etot -7.2162E+01 mv 6 8 107 110 0 + 4 e 326 36 etot -5.9199E+01 mv 6 8 107 177 0 + 4 e 591 7 etot -7.6995E+01 mv 6 8 80 2 0 f 127 649.3 14.4 + 4 e 451 19 etot -7.5003E+01 mv 6 8 161 172 0 c 172 351.3 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e 1 374 etot 1.3528E+20 mv 1 8 50 -44 0 + 4 e 270 351 etot -7.3203E+01 mv 1 8 88 -156 0 + 4 e 661 326 etot -7.4224E+01 mv 1 8 150 -40 0 + 4 e 371 342 etot -6.8044E+01 mv 1 8 19 -181 0 + -1 e 1 378 etot 1.3528E+20 mv 1 8 94 -155 0 + 4 e 283 354 etot -7.3642E+01 mv 1 8 88 -27 0 c 88 3.5 0.0 + 4 e 326 350 etot -7.9882E+01 mv 1 8 142 -63 0 c 142 1.6 0.0 + 4 e 557 333 etot -7.4049E+01 mv 1 8 178 -132 0 + 4 e 341 353 etot -6.9310E+01 mv 1 8 88 -53 0 + 4 e 200 362 etot -6.3892E+01 mv 1 8 135 -152 0 + 4 e 278 359 etot -7.2882E+01 mv 1 8 41 -129 0 + 4 e 238 363 etot -7.9928E+01 mv 1 8 135 -185 0 c 135 3.3 0.0 + 4 e 310 358 etot -6.9862E+01 mv 1 8 41 -68 0 + 4 e 208 366 etot -7.2159E+01 mv 1 8 22 -1 0 + 4 e 423 348 etot -7.9496E+01 mv 1 8 142 -44 0 + -1 e 1 389 etot 3.1876E+20 mv 1 8 170 -196 0 + 4 e 133 369 etot -6.4968E+01 mv 1 8 22 -74 0 + 4 e 194 375 etot -7.2765E+01 mv 1 8 50 -48 0 c 55 221.2 0.4 + 4 e 289 355 etot -7.3039E+01 mv 1 8 88 -62 0 + -1 e 1 393 etot 1.3528E+20 mv 1 8 85 -80 0 + 4 e 335 360 etot -7.3983E+01 mv 1 8 41 -149 0 + 4 e 333 349 etot -7.8056E+01 mv 1 8 142 -39 0 + 4 e 270 370 etot -7.9685E+01 mv 1 8 22 -71 0 + 4 e 530 352 etot -6.0247E+01 mv 1 8 88 -175 0 + 4 e 230 380 etot -7.2141E+01 mv 1 8 94 -135 0 + 4 e 390 364 etot -5.5964E+01 mv 1 8 135 -188 0 + 4 e 371 368 etot -7.9415E+01 mv 1 8 22 -162 0 + 4 e 301 376 etot -7.2036E+01 mv 1 8 94 -128 0 + 4 e 281 379 etot -6.8177E+01 mv 1 8 94 -21 0 + 4 e 156 392 etot -5.2266E+01 mv 1 8 85 -126 0 + 4 e 681 345 etot -6.9093E+01 mv 1 8 19 -27 0 + 4 e 498 339 etot -6.0091E+01 mv 1 8 93 -186 0 + 4 e 328 365 etot -7.7944E+01 mv 1 8 135 -24 0 + 4 e 271 372 etot -7.1075E+01 mv 1 8 50 -20 0 + 4 e 251 388 etot -8.0591E+01 mv 1 8 170 -10 0 + 4 e 95 401 etot -7.4846E+01 mv 0 8 80 0 0 c 80 1.5 0.0 + 4 e 359 382 etot -6.5244E+01 mv 1 8 37 -98 0 + 4 e 269 386 etot -8.0200E+01 mv 1 8 170 -93 0 + 4 e 303 385 etot -7.1822E+01 mv 1 8 37 -10 0 c 37 3.9 0.0 + 4 e 121 403 etot -8.2541E+01 mv 0 8 191 0 0 + 4 e 131 402 etot -8.4553E+01 mv 0 8 161 0 0 c 161 1.1 0.0 + 4 e 379 384 etot -6.9076E+01 mv 1 8 37 -160 0 + 4 e 427 381 etot -6.7535E+01 mv 1 8 37 -38 0 + 4 e 121 405 etot -7.7530E+01 mv 0 8 23 0 0 + 4 e 529 346 etot -7.8339E+01 mv 1 8 142 -100 0 + 4 e 213 400 etot -5.9389E+01 mv 1 8 169 -39 0 +## N0 total= 18 close= 7 far= 0 %acc 38.9 +## N1 total= 102 close= 9 far= 3 %acc 11.8 +## N2 total= 100 close= 12 far= 8 %acc 20.0 +## N3 total= 0 close= 0 far= 0 %acc 0.0 +## N4 total= 0 close= 0 far= 0 %acc 0.0 +## N5 total= 0 close= 0 far= 0 %acc 0.0 +## N6 total= 200 close= 38 far= 25 %acc 31.5 +## N7 total= 0 close= 0 far= 0 %acc 0.0 +## N8 total= 0 close= 0 far= 0 %acc 0.0 +## N9 total= 0 close= 0 far= 0 %acc 0.0 +##N10 total= 0 close= 0 far= 0 %acc 0.0 +##N11 total= 0 close= 0 far= 0 %acc 0.0 +##N12 total= 0 close= 0 far= 0 %acc 0.0 +##N13 total= 0 close= 0 far= 0 %acc 0.0 +##N14 total= 0 close= 0 far= 0 %acc 0.0 +##N15 total= 0 close= 0 far= 0 %acc 0.0 +##N16 total= 0 close= 0 far= 0 %acc 0.0 +##N17 total= 0 close= 0 far= 0 %acc 0.0 +##N18 total= 0 close= 0 far= 0 %acc 0.0 + Time for refresh 9 0.46 + make_var : nseed= 20 ntry= 420 + Time for make trial 10 0.04 +Nonsetup time 21.59 sec, Eval/s = 62526.49 +Time for iter 10 2.06 sec, Eval/s = 64788.40 + UPDATING 420 + 4 e 471 397 etot -6.8986E+01 mv 1 8 169 -48 0 + 4 e 511 398 etot -6.5801E+01 mv 1 8 169 -87 0 f 165 789.4 1.7 + 4 e 178 404 etot -7.3580E+01 mv 0 8 107 0 0 c 107 1.6 0.0 + 4 e 288 399 etot -5.7503E+01 mv 1 8 169 -43 0 + 4 e 171 420 etot -7.1404E+01 mv 0 8 169 0 0 c 169 1.7 0.0 + 4 e 526 395 etot -6.5731E+01 mv 1 8 85 -108 0 f 186 724.4 1.6 + 4 e 523 371 etot -7.2764E+01 mv 1 8 50 -51 0 + 4 e 231 410 etot -7.9883E+01 mv 0 8 142 0 0 c 142 1.0 0.0 + 4 e 518 373 etot -7.3184E+01 mv 1 8 50 -174 0 c 55 294.0 0.4 + 4 e 487 383 etot -6.8008E+01 mv 1 8 37 -156 0 + 4 e 515 377 etot -6.9499E+01 mv 1 8 94 -141 0 + 4 e 86 412 etot -7.3741E+01 mv 0 8 41 0 0 + 4 e 168 415 etot -7.2765E+01 mv 0 8 50 0 0 + 4 e 151 418 etot -8.0200E+01 mv 0 8 170 0 0 + 4 e 141 417 etot -7.1822E+01 mv 0 8 37 0 0 c 37 1.2 0.0 + 4 e 208 411 etot -7.3203E+01 mv 0 8 88 0 0 + 4 e 125 416 etot -7.2142E+01 mv 0 8 94 0 0 + 4 e 785 357 etot -7.3003E+01 mv 1 8 41 -165 0 + 4 e 501 387 etot -6.4491E+01 mv 1 8 170 -101 0 + 4 e 138 413 etot -7.9701E+01 mv 0 8 135 0 0 + 4 e 179 414 etot -8.0151E+01 mv 0 8 22 0 0 + 4 e 470 390 etot -8.0590E+01 mv 1 8 170 -42 0 + 4 e 124 409 etot -7.3282E+01 mv 0 8 19 0 0 + 4 e 236 396 etot -7.1879E+01 mv 1 8 169 -87 0 c 169 53.6 0.5 + 4 e 473 391 etot -6.7374E+01 mv 1 8 85 -121 0 + 4 e 177 419 etot -7.1661E+01 mv 0 8 85 0 0 + -1 e 1 19 etot 1.3528E+20 mv 6 9 77 133 0 + 4 e 121 408 etot -7.3426E+01 mv 0 8 93 0 0 c 93 0.8 0.0 + -1 e 1 21 etot 1.3528E+20 mv 6 9 22 178 0 + 4 e 130 407 etot -7.6636E+01 mv 0 8 178 0 0 c 72 257.2 1.2 + 4 e 125 406 etot -7.9396E+01 mv 0 8 150 0 0 + 4 e 358 394 etot -6.8465E+01 mv 1 8 85 -93 0 + 4 e 616 361 etot -7.9699E+01 mv 1 8 135 -103 0 + 8 e 2 11 etot -6.3996E+01 mv 6 9 77 85 0 + 4 e 86 1 etot -7.9930E+01 mv 6 9 119 23 0 c 23 1.2 0.0 + -1 e 1 35 etot 1.3528E+20 mv 6 9 197 65 0 + 4 e 153 26 etot -6.4754E+01 mv 6 9 22 130 0 c 130 1.7 0.0 + 4 e 180 30 etot -6.4832E+01 mv 6 9 22 198 0 f 89 887.6 0.7 + 4 e 169 28 etot -7.1918E+01 mv 6 9 22 32 0 + 4 e 213 32 etot -7.1678E+01 mv 6 9 197 27 0 + 4 e 215 15 etot -7.0060E+01 mv 6 9 77 42 0 + 4 e 227 9 etot -6.8608E+01 mv 6 9 119 150 0 + 4 e 226 5 etot -6.8362E+01 mv 6 9 119 55 0 + 4 e 240 31 etot -7.7491E+01 mv 6 9 197 111 0 + 4 e 244 13 etot -6.9296E+01 mv 6 9 77 7 0 + 4 e 263 27 etot -7.0043E+01 mv 6 9 22 107 0 + 4 e 177 36 etot -7.2874E+01 mv 6 9 197 101 0 c 68 569.6 7.4 + 4 e 282 33 etot -8.0935E+01 mv 6 9 197 47 0 + 4 e 286 20 etot -6.4869E+01 mv 6 9 77 27 0 f 11 816.2 0.8 + 4 e 286 22 etot -5.8456E+01 mv 6 9 22 164 0 + 4 e 314 4 etot -6.4244E+01 mv 6 9 119 171 0 + 4 e 151 38 etot -6.7043E+01 mv 6 9 197 30 0 + 4 e 390 6 etot -6.5092E+01 mv 6 9 119 162 0 f 185 765.1 0.7 + -1 e 1 53 etot 1.3528E+20 mv 6 9 194 200 0 + 4 e 370 23 etot -7.5306E+01 mv 6 9 22 75 0 c 75 599.7 7.4 + 4 e 369 18 etot -5.6683E+01 mv 6 9 77 177 0 + 4 e 458 7 etot -6.9503E+01 mv 6 9 119 5 0 + 4 e 420 8 etot -5.9202E+01 mv 6 9 119 190 0 + 4 e 118 39 etot -6.8161E+01 mv 6 9 197 59 0 c 59 3.4 0.0 + 4 e 191 51 etot -7.5357E+01 mv 6 9 194 39 0 + 4 e 466 17 etot -7.1339E+01 mv 6 9 77 85 0 f 100 729.8 7.0 + 4 e 482 16 etot -7.4759E+01 mv 6 9 77 97 0 + 4 e 306 43 etot -6.2368E+01 mv 6 9 56 111 0 + 4 e 480 29 etot -7.2956E+01 mv 6 9 22 49 0 + 4 e 273 42 etot -6.8688E+01 mv 6 9 56 96 0 + 4 e 466 34 etot -7.0820E+01 mv 6 9 197 147 0 f 146 755.8 6.5 + 4 e 317 46 etot -7.5303E+01 mv 6 9 56 136 0 + 4 e 531 14 etot -6.8034E+01 mv 6 9 77 189 0 + 4 e 105 62 etot -6.4355E+01 mv 6 9 142 146 0 + 4 e 128 61 etot -6.6353E+01 mv 6 9 142 93 0 + 4 e 280 47 etot -6.7034E+01 mv 6 9 56 31 0 + 4 e 558 2 etot -7.8923E+01 mv 6 9 119 32 0 c 119 71.5 0.7 + 4 e 76 59 etot -6.9783E+01 mv 6 9 194 81 0 c 81 1.9 0.0 + 4 e 593 3 etot -6.9270E+01 mv 6 9 119 183 0 f 60 628.8 4.9 + 4 e 290 57 etot -7.7792E+01 mv 6 9 194 22 0 + 4 e 635 12 etot -7.3852E+01 mv 6 9 77 16 0 + 4 e 137 70 etot -7.9603E+01 mv 6 9 142 174 0 c 174 246.8 0.8 + 4 e 303 52 etot -7.5737E+01 mv 6 9 194 143 0 c 194 1.2 0.0 + 4 e 310 60 etot -6.0398E+01 mv 6 9 194 48 0 + 4 e 633 10 etot -8.3893E+01 mv 6 9 119 117 0 + 4 e 427 44 etot -7.1804E+01 mv 6 9 56 136 0 + 4 e 311 37 etot -7.1585E+01 mv 6 9 197 6 0 + 4 e 481 40 etot -7.7931E+01 mv 6 9 197 43 0 + 4 e 337 63 etot -6.5057E+01 mv 6 9 142 127 0 + 4 e 488 54 etot -7.1774E+01 mv 6 9 194 167 0 + 4 e 85 79 etot -6.8634E+01 mv 6 9 85 132 0 c 132 2.5 0.0 + 4 e 256 69 etot -6.8956E+01 mv 6 9 142 44 0 + 4 e 508 41 etot -6.9951E+01 mv 6 9 56 185 0 + 4 e 463 50 etot -6.6440E+01 mv 6 9 56 185 0 + 4 e 503 56 etot -7.2568E+01 mv 6 9 194 143 0 + 4 e 461 49 etot -6.7227E+01 mv 6 9 56 101 0 f 147 613.8 2.8 + 4 e 563 45 etot -6.9590E+01 mv 6 9 56 102 0 + 4 e 289 71 etot -6.2937E+01 mv 6 9 85 122 0 + 4 e 368 67 etot -7.7008E+01 mv 6 9 142 193 0 + 4 e 508 25 etot -6.9259E+01 mv 6 9 22 34 0 + 4 e 409 58 etot -6.5118E+01 mv 6 9 194 45 0 + 4 e 348 72 etot -7.5327E+01 mv 6 9 85 134 0 + 4 e 324 74 etot -6.7564E+01 mv 6 9 85 129 0 + 4 e 377 68 etot -7.9039E+01 mv 6 9 142 36 0 + 4 e 423 64 etot -7.6089E+01 mv 6 9 142 66 0 + 4 e 312 77 etot -7.3977E+01 mv 6 9 85 128 0 f 26 636.2 9.5 + 4 e 262 84 etot -7.9396E+01 mv 6 9 19 143 0 + 4 e 408 66 etot -7.9492E+01 mv 6 9 142 152 0 + -1 e 1 103 etot 1.3528E+20 mv 6 9 41 193 0 + -1 e 1 104 etot 1.3528E+20 mv 6 9 41 160 0 + 4 e 505 24 etot -8.1840E+01 mv 6 9 22 139 0 c 22 335.4 0.1 + 4 e 456 65 etot -7.8161E+01 mv 6 9 142 11 0 + 4 e 605 48 etot -7.8595E+01 mv 6 9 56 135 0 + 4 e 259 90 etot -6.8807E+01 mv 6 9 19 111 0 c 111 527.1 0.9 + 4 e 202 94 etot -5.4354E+01 mv 6 9 178 147 0 + 4 e 246 93 etot -5.5788E+01 mv 6 9 178 171 0 + 4 e 677 55 etot -7.4597E+01 mv 6 9 194 131 0 + 4 e 345 87 etot -7.1876E+01 mv 6 9 19 97 0 f 49 684.9 7.4 + 4 e 489 75 etot -6.1805E+01 mv 6 9 85 185 0 + 4 e 196 98 etot -7.2824E+01 mv 6 9 178 9 0 c 9 221.4 1.1 + 4 e 471 76 etot -7.1227E+01 mv 6 9 85 143 0 + 4 e 133 105 etot -6.5288E+01 mv 6 9 41 66 0 + 4 e 460 85 etot -6.9846E+01 mv 6 9 19 99 0 c 99 355.7 1.4 + 4 e 427 89 etot -7.0114E+01 mv 6 9 19 89 0 + 4 e 444 91 etot -7.4039E+01 mv 6 9 178 133 0 + 4 e 410 78 etot -6.8857E+01 mv 6 9 85 9 0 + 4 e 181 112 etot -7.5099E+01 mv 6 9 125 68 0 + 4 e 577 80 etot -6.5134E+01 mv 6 9 85 74 0 + 4 e 337 100 etot -7.0739E+01 mv 6 9 178 137 0 + 4 e 249 107 etot -7.1749E+01 mv 6 9 41 174 0 + 4 e 377 99 etot -6.9219E+01 mv 6 9 178 47 0 f 38 801.9 4.7 + 4 e 473 92 etot -6.9122E+01 mv 6 9 178 179 0 + 4 e 563 86 etot -7.6288E+01 mv 6 9 19 28 0 c 19 249.0 0.9 + 4 e 187 108 etot -7.4332E+01 mv 6 9 41 59 0 c 41 16.1 0.1 + 4 e 353 102 etot -6.1222E+01 mv 6 9 41 106 0 + 4 e 236 115 etot -7.0346E+01 mv 6 9 125 35 0 + 4 e 252 114 etot -7.0464E+01 mv 6 9 125 115 0 + 4 e 322 110 etot -7.0771E+01 mv 6 9 41 115 0 + 4 e 148 120 etot -6.0300E+01 mv 6 9 125 171 0 + 4 e 205 118 etot -6.0597E+01 mv 6 9 125 173 0 + 4 e 237 119 etot -7.5518E+01 mv 6 9 125 49 0 + 4 e 670 88 etot -7.6517E+01 mv 6 9 19 83 0 c 19 275.9 0.2 + 4 e 309 116 etot -7.4404E+01 mv 6 9 125 25 0 + 8 e 135 126 etot -6.3985E+01 mv 6 9 1 156 0 + 4 e 419 109 etot -6.7685E+01 mv 6 9 41 24 0 f 159 832.4 3.2 + 4 e 538 81 etot -7.2067E+01 mv 6 9 19 168 0 + 4 e 565 97 etot -7.0372E+01 mv 6 9 178 49 0 f 17 812.5 5.7 + 4 e 522 83 etot -7.6447E+01 mv 6 9 19 104 0 + 4 e 534 101 etot -7.3081E+01 mv 6 9 41 183 0 + 4 e 221 123 etot -7.4049E+01 mv 6 9 1 130 0 c 1 2.8 0.0 + 4 e 623 96 etot -7.4664E+01 mv 6 9 178 47 0 + 4 e 228 124 etot -5.5465E+01 mv 6 9 1 73 0 + 4 e 220 95 etot -7.6885E+01 mv 6 9 178 182 0 + 4 e 252 127 etot -5.8784E+01 mv 6 9 1 14 0 + 4 e 456 117 etot -6.6820E+01 mv 6 9 125 167 0 + 4 e 354 73 etot -6.2994E+01 mv 6 9 85 1 0 + 4 e 304 125 etot -7.5244E+01 mv 6 9 1 61 0 c 1 247.9 1.2 + 4 e 182 138 etot -6.1279E+01 mv 6 9 50 74 0 + 4 e 194 137 etot -6.9302E+01 mv 6 9 50 75 0 f 130 614.7 4.5 + 4 e 587 111 etot -7.1835E+01 mv 6 9 125 171 0 c 171 558.7 6.4 + 4 e 221 129 etot -7.3681E+01 mv 6 9 1 23 0 + 4 e 218 139 etot -7.3708E+01 mv 6 9 50 51 0 c 50 9.8 0.0 + 4 e 289 134 etot -5.9893E+01 mv 6 9 50 173 0 + 4 e 238 106 etot -7.3480E+01 mv 6 9 41 135 0 + 4 e 608 113 etot -6.3972E+01 mv 6 9 125 186 0 + 4 e 428 122 etot -7.1408E+01 mv 6 9 1 121 0 f 89 703.7 6.6 + 4 e 153 149 etot -6.4608E+01 mv 6 9 88 165 0 + 4 e 239 142 etot -6.3749E+01 mv 6 9 88 141 0 + 4 e 382 128 etot -7.6620E+01 mv 6 9 1 192 0 + 8 e 321 135 etot -6.3999E+01 mv 6 9 50 143 0 + 4 e 162 152 etot -6.7143E+01 mv 6 9 36 193 0 + 4 e 411 132 etot -6.6272E+01 mv 6 9 50 159 0 f 44 698.0 1.4 + 8 e 48 162 etot -6.3998E+01 mv 6 9 108 130 0 + 4 e 86 158 etot -6.5821E+01 mv 6 9 36 10 0 c 10 0.6 0.0 + 4 e 386 133 etot -7.2802E+01 mv 6 9 50 42 0 + 4 e 358 140 etot -7.5174E+01 mv 6 9 50 128 0 f 27 741.3 10.3 + 4 e 486 131 etot -6.2513E+01 mv 6 9 50 114 0 + -1 e 1 172 etot 1.3528E+20 mv 6 9 170 141 0 + 4 e 370 146 etot -7.3834E+01 mv 6 9 88 55 0 c 88 467.4 0.2 + 4 e 165 151 etot -7.3305E+01 mv 6 9 36 100 0 c 36 140.2 0.0 + -1 e 1 174 etot 1.3528E+20 mv 6 9 170 74 0 + 4 e 189 160 etot -6.2495E+01 mv 6 9 36 181 0 + 4 e 385 145 etot -7.2065E+01 mv 6 9 88 177 0 f 11 648.0 7.2 + 4 e 170 156 etot -7.4558E+01 mv 6 9 36 103 0 c 36 235.9 1.3 + 4 e 315 143 etot -7.1263E+01 mv 6 9 88 8 0 + 4 e 186 165 etot -5.9287E+01 mv 6 9 108 183 0 + -1 e 1 181 etot 1.3528E+20 mv 6 9 135 105 0 + 4 e 639 130 etot -7.0593E+01 mv 6 9 1 96 0 f 7 613.5 5.6 + 4 e 462 144 etot -7.2065E+01 mv 6 9 88 144 0 + 4 e 452 147 etot -7.3645E+01 mv 6 9 88 187 0 c 11 272.0 1.6 + 4 e 548 136 etot -6.5943E+01 mv 6 9 50 17 0 + 4 e 273 161 etot -5.9499E+01 mv 6 9 108 84 0 + 4 e 426 150 etot -7.0704E+01 mv 6 9 88 133 0 + 4 e 229 168 etot -6.6397E+01 mv 6 9 108 105 0 + 4 e 386 163 etot -7.5571E+01 mv 6 9 108 93 0 + 4 e 587 82 etot -7.3464E+01 mv 6 9 19 175 0 + 4 e 246 176 etot -6.8940E+01 mv 6 9 170 166 0 c 166 181.8 0.8 + 4 e 459 157 etot -7.0497E+01 mv 6 9 36 9 0 + 4 e 184 175 etot -6.9362E+01 mv 6 9 170 196 0 + 4 e 519 153 etot -6.9916E+01 mv 6 9 36 176 0 c 176 258.5 0.1 + 4 e 336 148 etot -6.7756E+01 mv 6 9 88 126 0 + 4 e 643 121 etot -7.3280E+01 mv 6 9 1 18 0 + -1 e 1 197 etot 1.3528E+20 mv 6 9 51 127 0 + 4 e 201 187 etot -8.0697E+01 mv 6 9 135 82 0 c 135 214.9 0.8 + 4 e 424 169 etot -7.2894E+01 mv 6 9 108 24 0 + 4 e 318 178 etot -6.9878E+01 mv 6 9 170 74 0 + 4 e 261 184 etot -6.8353E+01 mv 6 9 135 82 0 + 4 e 438 166 etot -7.1893E+01 mv 6 9 108 38 0 + 4 e 569 155 etot -7.1099E+01 mv 6 9 36 179 0 + 4 e 503 164 etot -6.9282E+01 mv 6 9 108 180 0 + 4 e 465 167 etot -5.6232E+01 mv 6 9 108 18 0 + 4 e 623 154 etot -7.5055E+01 mv 6 9 36 26 0 + 4 e 337 182 etot -6.9520E+01 mv 6 9 135 191 0 + 4 e 560 141 etot -7.7216E+01 mv 6 9 88 18 0 c 88 292.3 3.4 + 4 e 277 189 etot -8.0466E+01 mv 6 9 135 125 0 + 4 e 342 186 etot -6.7595E+01 mv 6 9 135 115 0 + 4 e 208 190 etot -8.0209E+01 mv 6 9 135 77 0 + 4 e 114 200 etot -7.3426E+01 mv 6 9 51 93 0 + -1 e 1 213 etot 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2 9 36 -31 0 + 4 e 541 237 etot -7.0266E+01 mv 2 9 85 -52 0 + 4 e 217 260 etot -7.3159E+01 mv 2 9 125 -68 0 + 4 e 248 258 etot -6.9545E+01 mv 2 9 125 -131 0 + 4 e 281 268 etot -6.8627E+01 mv 2 9 50 -93 0 + 4 e 286 269 etot -7.1632E+01 mv 2 9 50 -29 0 + -1 e 1 299 etot 1.3528E+20 mv 2 9 51 -30 0 + 4 e 402 256 etot -7.4273E+01 mv 2 9 125 -153 0 + 4 e 584 239 etot -6.8130E+01 mv 2 9 85 -111 0 c 186 585.0 2.4 + 4 e 368 262 etot -6.5881E+01 mv 2 9 1 -95 0 + 4 e 322 266 etot -7.3661E+01 mv 2 9 50 -8 0 + 4 e 402 264 etot -5.8827E+01 mv 2 9 1 -169 0 + 4 e 227 283 etot -6.0759E+01 mv 2 9 108 -56 0 + 4 e 258 281 etot -7.5848E+01 mv 2 9 108 -195 0 c 108 4.3 0.0 + -1 e 1 307 etot 1.3528E+20 mv 1 9 77 -86 0 + 4 e 350 273 etot -6.1611E+01 mv 2 9 88 -78 0 + 4 e 278 280 etot -6.9883E+01 mv 2 9 36 -2 0 + 4 e 434 249 etot -7.5642E+01 mv 2 9 178 -140 0 + 4 e 368 277 etot -6.0294E+01 mv 2 9 36 -7 0 + 4 e 249 290 etot -7.1667E+01 mv 2 9 170 -4 0 + 4 e 273 289 etot -8.1320E+01 mv 2 9 170 -86 0 + 4 e 249 295 etot -8.0834E+01 mv 2 9 135 -85 0 c 135 133.5 0.1 + 4 e 195 303 etot -6.3454E+01 mv 1 9 119 -168 0 + 4 e 447 271 etot -6.6733E+01 mv 2 9 88 -115 0 + 4 e 547 244 etot -6.6371E+01 mv 2 9 19 -158 0 + -1 e 1 318 etot 1.3528E+20 mv 1 9 197 -60 0 + 4 e 313 278 etot -5.8109E+01 mv 2 9 36 -90 0 + 4 e 311 293 etot -6.2998E+01 mv 2 9 135 -110 0 + 4 e 359 291 etot -7.4287E+01 mv 2 9 135 -160 0 + 4 e 296 298 etot -6.3709E+01 mv 2 9 51 -148 0 + -1 e 1 323 etot 1.3528E+20 mv 1 9 56 -12 0 + 4 e 466 279 etot -7.2502E+01 mv 2 9 36 -99 0 + 4 e 313 304 etot -5.6687E+01 mv 1 9 119 -147 0 + 4 e 452 265 etot -6.9652E+01 mv 2 9 1 -29 0 + 4 e 459 287 etot -7.0384E+01 mv 2 9 170 -157 0 + 4 e 389 300 etot -7.5433E+01 mv 2 9 51 -102 0 + 4 e 255 310 etot -8.0081E+01 mv 1 9 77 -70 0 c 77 4.2 0.0 + 4 e 216 315 etot -7.0696E+01 mv 1 9 22 -73 0 + 4 e 369 286 etot -8.1310E+01 mv 2 9 170 -4 0 + 4 e 354 306 etot -7.8761E+01 mv 1 9 77 -64 0 + 4 e 366 305 etot -7.8608E+01 mv 1 9 119 -2 0 + 4 e 590 285 etot -7.5755E+01 mv 2 9 108 -95 0 + 4 e 243 317 etot -7.3518E+01 mv 1 9 197 -33 0 + 4 e 485 272 etot -5.8003E+01 mv 2 9 88 -166 0 + 4 e 494 301 etot -7.3032E+01 mv 1 9 119 -37 0 + 4 e 252 321 etot -6.9748E+01 mv 1 9 56 -21 0 + 4 e 225 325 etot -7.8344E+01 mv 1 9 56 -145 0 + 4 e 196 326 etot -7.5738E+01 mv 1 9 194 -45 0 c 194 3.7 0.0 + 4 e 274 311 etot -8.1729E+01 mv 1 9 22 -117 0 + -1 e 1 342 etot 1.3528E+20 mv 1 9 19 -29 0 + 4 e 516 302 etot -7.8010E+01 mv 1 9 119 -14 0 + 4 e 206 320 etot -7.9010E+01 mv 1 9 197 -135 0 + 4 e 396 296 etot -6.9323E+01 mv 2 9 51 -73 0 + 4 e 643 292 etot -6.7573E+01 mv 2 9 135 -94 0 f 177 624.4 2.5 + 4 e 410 297 etot -7.4510E+01 mv 2 9 51 -10 0 + 4 e 299 322 etot -6.2698E+01 mv 1 9 56 -132 0 + -1 e 1 348 etot 1.3528E+20 mv 1 9 178 -174 0 + 4 e 467 308 etot -8.1892E+01 mv 1 9 77 -185 0 c 77 91.6 1.8 + 4 e 416 313 etot -8.1841E+01 mv 1 9 22 -85 0 c 22 1.5 0.0 + 4 e 678 294 etot -7.0635E+01 mv 2 9 135 -114 0 + 4 e 230 330 etot -7.6058E+01 mv 1 9 194 -77 0 c 194 18.0 0.3 + 4 e 430 316 etot -7.9095E+01 mv 1 9 197 -147 0 + 4 e 470 312 etot -7.7086E+01 mv 1 9 22 -156 0 + 4 e 216 333 etot -7.5147E+01 mv 1 9 142 -72 0 + 4 e 203 336 etot -7.5682E+01 mv 1 9 85 -183 0 c 85 6.4 0.0 + 4 e 562 309 etot -7.2723E+01 mv 1 9 77 -98 0 + 4 e 214 339 etot -5.9862E+01 mv 1 9 85 -35 0 + 4 e 296 331 etot -7.9031E+01 mv 1 9 142 -8 0 + 4 e 200 340 etot -7.2677E+01 mv 1 9 85 -22 0 + 4 e 556 314 etot -7.8936E+01 mv 1 9 22 -126 0 + 4 e 350 329 etot -7.3817E+01 mv 1 9 194 -166 0 + 4 e 160 352 etot -6.8145E+01 mv 1 9 41 -92 0 + 4 e 488 324 etot -7.1145E+01 mv 1 9 56 -21 0 + 4 e 260 344 etot -7.3848E+01 mv 1 9 19 -146 0 c 82 580.9 3.4 + 4 e 234 349 etot -7.8007E+01 mv 1 9 178 -78 0 + -1 e 1 368 etot 1.2147E+22 mv 1 9 50 -174 0 + 4 e 299 341 etot -7.7966E+01 mv 1 9 19 -89 0 c 19 264.2 1.4 + 4 e 193 356 etot -7.5708E+01 mv 1 9 125 -120 0 c 125 1.9 0.0 + 4 e 348 338 etot -7.0605E+01 mv 1 9 85 -69 0 + -1 e 1 372 etot 1.3528E+20 mv 1 9 88 -144 0 + 4 e 281 337 etot -7.5162E+01 mv 1 9 85 -73 0 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-7.5954E+01 mv 1 9 178 -47 0 + 4 e 524 327 etot -6.7142E+01 mv 1 9 194 -109 0 + 4 e 512 351 etot -7.2516E+01 mv 1 9 41 -146 0 + 4 e 463 332 etot -6.8163E+01 mv 1 9 142 -136 0 + 4 e 340 364 etot -6.6627E+01 mv 1 9 1 -73 0 f 185 688.8 1.5 + 4 e 507 353 etot -7.0940E+01 mv 1 9 41 -190 0 + 4 e 482 357 etot -7.5290E+01 mv 1 9 125 -83 0 + 4 e 422 363 etot -7.9651E+01 mv 1 9 1 -110 0 c 1 513.2 4.4 + 4 e 426 362 etot -7.1725E+01 mv 1 9 1 -26 0 + 4 e 253 377 etot -5.9045E+01 mv 1 9 36 -122 0 + 4 e 369 367 etot -6.2040E+01 mv 1 9 50 -126 0 + 4 e 351 371 etot -7.3895E+01 mv 1 9 88 -160 0 c 11 191.2 0.2 + 4 e 354 369 etot -5.8588E+01 mv 1 9 50 -113 0 + 4 e 272 376 etot -7.3287E+01 mv 1 9 36 -114 0 + 4 e 214 375 etot -7.3203E+01 mv 1 9 88 -29 0 + 4 e 374 373 etot -7.2158E+01 mv 1 9 88 -72 0 + 4 e 59 407 etot -7.9883E+01 mv 0 9 142 0 0 c 142 0.8 0.0 + 4 e 116 401 etot -7.8264E+01 mv 0 9 119 0 0 + 4 e 107 405 etot -7.8658E+01 mv 0 9 56 0 0 c 56 2.3 0.0 + 4 e 354 379 etot -6.5622E+01 mv 1 9 36 -189 0 + 4 e 73 410 etot -7.8530E+01 mv 0 9 178 0 0 + 4 e 368 378 etot -6.3830E+01 mv 1 9 36 -93 0 + 4 e 147 403 etot -8.1730E+01 mv 0 9 22 0 0 + 4 e 132 406 etot -7.5738E+01 mv 0 9 194 0 0 + 4 e 143 404 etot -7.8821E+01 mv 0 9 197 0 0 + 4 e 151 402 etot -8.0082E+01 mv 0 9 77 0 0 +## N0 total= 24 close= 8 far= 0 %acc 33.3 +## N1 total= 96 close= 14 far= 3 %acc 17.7 +## N2 total= 100 close= 9 far= 3 %acc 12.0 +## N3 total= 0 close= 0 far= 0 %acc 0.0 +## N4 total= 0 close= 0 far= 0 %acc 0.0 +## N5 total= 0 close= 0 far= 0 %acc 0.0 +## N6 total= 200 close= 34 far= 18 %acc 26.0 +## N7 total= 0 close= 0 far= 0 %acc 0.0 +## N8 total= 0 close= 0 far= 0 %acc 0.0 +## N9 total= 0 close= 0 far= 0 %acc 0.0 +##N10 total= 0 close= 0 far= 0 %acc 0.0 +##N11 total= 0 close= 0 far= 0 %acc 0.0 +##N12 total= 0 close= 0 far= 0 %acc 0.0 +##N13 total= 0 close= 0 far= 0 %acc 0.0 +##N14 total= 0 close= 0 far= 0 %acc 0.0 +##N15 total= 0 close= 0 far= 0 %acc 0.0 +##N16 total= 0 close= 0 far= 0 %acc 0.0 +##N17 total= 0 close= 0 far= 0 %acc 0.0 +##N18 total= 0 close= 0 far= 0 %acc 0.0 + Time for refresh 10 1.32 + make_var : nseed= 20 ntry= 420 + Time for make trial 11 0.14 +Nonsetup time 24.59 sec, Eval/s = 60239.95 +Time for iter 11 3.00 sec, Eval/s = 43808.96 + UPDATING 420 + 4 e 372 399 etot -7.5320E+01 mv 1 9 51 -19 0 + 4 e 246 417 etot -7.5848E+01 mv 0 9 108 0 0 c 108 1.5 0.0 + 4 e 137 420 etot -7.5434E+01 mv 0 9 51 0 0 c 51 1.1 0.0 + 4 e 458 380 etot -7.0411E+01 mv 1 9 36 -85 0 + 4 e 249 400 etot -7.4807E+01 mv 1 9 51 -72 0 + 4 e 124 412 etot -7.5708E+01 mv 0 9 125 0 0 c 125 0.5 0.0 + 4 e 394 389 etot -6.6816E+01 mv 1 9 170 -60 0 + 4 e 120 414 etot -7.3662E+01 mv 0 9 50 0 0 + 4 e 509 387 etot -8.1233E+01 mv 1 9 170 -105 0 + 4 e 157 408 etot -7.5682E+01 mv 0 9 85 0 0 c 85 4.0 0.0 + -1 e 1 2 etot 1.3528E+20 mv 6 10 86 33 0 + 4 e 97 418 etot -8.1650E+01 mv 0 9 170 0 0 + 4 e 418 397 etot -5.0198E+01 mv 1 9 51 -117 0 + 4 e 542 393 etot -7.5457E+01 mv 1 9 135 -96 0 + 4 e 646 382 etot -7.7217E+01 mv 1 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-150 0 + -1 e 1 387 etot 9.2818E+20 mv 1 10 182 -122 0 + 4 e 567 338 etot -6.9373E+01 mv 1 10 19 -56 0 + 4 e 537 342 etot -7.6900E+01 mv 1 10 88 -47 0 + 4 e 413 357 etot -6.0485E+01 mv 1 10 36 -135 0 + 4 e 334 362 etot -6.2316E+01 mv 1 10 50 -66 0 + 4 e 290 369 etot -7.3701E+01 mv 1 10 48 -188 0 + 4 e 463 351 etot -6.5598E+01 mv 1 10 128 -137 0 + 4 e 488 331 etot -8.0564E+01 mv 1 10 136 -87 0 + 4 e 146 376 etot -7.2850E+01 mv 1 10 89 -190 0 + 4 e 340 363 etot -6.2289E+01 mv 1 10 50 -91 0 + 4 e 186 380 etot -7.2850E+01 mv 1 10 89 -66 0 + 4 e 478 334 etot -6.9174E+01 mv 1 10 136 -39 0 + 4 e 551 349 etot -8.0128E+01 mv 1 10 87 -48 0 + 4 e 203 381 etot -8.0731E+01 mv 1 10 135 -57 0 + 4 e 276 374 etot -7.4291E+01 mv 1 10 76 -180 0 c 76 61.1 1.4 + 4 e 314 359 etot -7.4558E+01 mv 1 10 36 -33 0 + 4 e 507 337 etot -5.8724E+01 mv 1 10 19 -185 0 + 4 e 387 371 etot -6.8358E+01 mv 1 10 76 -65 0 + 4 e 636 348 etot -7.0695E+01 mv 1 10 87 -123 0 + 4 e 271 372 etot -4.5187E+01 mv 1 10 76 -127 0 + 4 e 229 386 etot -6.4183E+01 mv 1 10 182 -184 0 + 4 e 263 389 etot -7.9185E+01 mv 1 10 182 -133 0 + 4 e 512 366 etot -7.2746E+01 mv 1 10 48 -53 0 + 4 e 117 402 etot -8.1842E+01 mv 0 10 22 0 0 c 22 0.6 0.0 + 4 e 146 401 etot -7.0176E+01 mv 0 10 86 0 0 + 4 e 303 385 etot -8.1861E+01 mv 1 10 135 -51 0 c 135 239.6 0.7 + 4 e 375 382 etot -5.6743E+01 mv 1 10 135 -151 0 + 4 e 437 356 etot -7.6796E+01 mv 1 10 36 -84 0 c 36 345.9 1.0 + 4 e 275 379 etot -6.8639E+01 mv 1 10 89 -158 0 + 4 e 323 388 etot -7.7860E+01 mv 1 10 182 -124 0 + 4 e 265 391 etot -6.9219E+01 mv 1 10 9 -6 0 + 4 e 191 400 etot -7.5176E+01 mv 1 10 27 -73 0 + 4 e 151 405 etot -7.9276E+01 mv 0 10 12 0 0 c 12 2.1 0.0 +## N0 total= 15 close= 6 far= 0 %acc 40.0 +## N1 total= 105 close= 10 far= 0 %acc 9.5 +## N2 total= 100 close= 8 far= 6 %acc 14.0 +## N3 total= 0 close= 0 far= 0 %acc 0.0 +## N4 total= 0 close= 0 far= 0 %acc 0.0 +## N5 total= 0 close= 0 far= 0 %acc 0.0 +## N6 total= 200 close= 40 far= 24 %acc 32.0 +## N7 total= 0 close= 0 far= 0 %acc 0.0 +## N8 total= 0 close= 0 far= 0 %acc 0.0 +## N9 total= 0 close= 0 far= 0 %acc 0.0 +##N10 total= 0 close= 0 far= 0 %acc 0.0 +##N11 total= 0 close= 0 far= 0 %acc 0.0 +##N12 total= 0 close= 0 far= 0 %acc 0.0 +##N13 total= 0 close= 0 far= 0 %acc 0.0 +##N14 total= 0 close= 0 far= 0 %acc 0.0 +##N15 total= 0 close= 0 far= 0 %acc 0.0 +##N16 total= 0 close= 0 far= 0 %acc 0.0 +##N17 total= 0 close= 0 far= 0 %acc 0.0 +##N18 total= 0 close= 0 far= 0 %acc 0.0 + Time for refresh 11 0.27 + make_var : nseed= 20 ntry= 420 + Time for make trial 12 0.05 +Nonsetup time 26.39 sec, Eval/s = 60923.76 +Time for iter 12 1.80 sec, Eval/s = 70281.46 + UPDATING 420 + 4 e 129 420 etot -7.5176E+01 mv 0 10 27 0 0 + 4 e 458 390 etot -7.9133E+01 mv 1 10 182 -188 0 + 4 e 253 394 etot -7.1844E+01 mv 1 10 9 -102 0 + 4 e 176 410 etot -7.6552E+01 mv 0 10 87 0 0 + 4 e 90 417 etot -8.0835E+01 mv 0 10 135 0 0 + 4 e 420 392 etot -6.7110E+01 mv 1 10 9 -1 0 f 44 615.2 0.0 + 4 e 97 412 etot -7.4559E+01 mv 0 10 36 0 0 + 4 e 173 406 etot -8.2584E+01 mv 0 10 197 0 0 c 197 0.7 0.0 + 4 e 134 408 etot -7.8086E+01 mv 0 10 19 0 0 c 49 188.1 0.6 + 4 e 494 398 etot -6.0287E+01 mv 1 10 27 -112 0 + 4 e 106 409 etot -7.7218E+01 mv 0 10 88 0 0 + 4 e 636 378 etot -6.4669E+01 mv 1 10 89 -40 0 + 4 e 135 411 etot -7.5702E+01 mv 0 10 128 0 0 c 128 0.8 0.0 + 4 e 144 414 etot -7.3702E+01 mv 0 10 48 0 0 + 4 e 315 397 etot -6.2916E+01 mv 1 10 27 -2 0 + 4 e 563 373 etot -7.2112E+01 mv 1 10 76 -92 0 + 4 e 105 418 etot -7.9134E+01 mv 0 10 182 0 0 + 4 e 426 393 etot -6.9935E+01 mv 1 10 9 -11 0 f 45 576.1 2.9 + 4 e 95 419 etot -7.2825E+01 mv 0 10 9 0 0 + 4 e 663 383 etot -6.3487E+01 mv 1 10 135 -184 0 + 4 e 88 413 etot -7.3708E+01 mv 0 10 50 0 0 c 50 0.6 0.0 + 4 e 506 375 etot -7.0618E+01 mv 1 10 76 -159 0 c 78 496.0 0.4 + 4 e 537 384 etot -7.6194E+01 mv 1 10 135 -56 0 + -1 e 1 16 etot 1.3528E+20 mv 6 11 191 186 0 + 4 e 137 415 etot -7.2881E+01 mv 0 10 76 0 0 + -1 e 1 17 etot 1.3528E+20 mv 6 11 191 21 0 + 4 e 178 407 etot -8.0566E+01 mv 0 10 136 0 0 + 4 e 150 404 etot -8.0290E+01 mv 0 10 150 0 0 c 150 1.8 0.0 + 4 e 289 395 etot -7.3188E+01 mv 1 10 9 -119 0 + 4 e 355 399 etot -7.5174E+01 mv 1 10 27 -23 0 + 4 e 121 403 etot -8.1668E+01 mv 0 10 170 0 0 c 170 2.5 0.0 + 4 e 63 416 etot -7.2850E+01 mv 0 10 89 0 0 + 4 e 434 396 etot -6.4755E+01 mv 1 10 27 -104 0 + -1 e 1 31 etot 4.4122E+23 mv 6 11 174 105 0 + -1 e 1 32 etot 1.3528E+20 mv 6 11 174 25 0 + -1 e 1 33 etot 1.3528E+20 mv 6 11 174 94 0 + -1 e 1 34 etot 1.3528E+20 mv 6 11 174 158 0 + 4 e 146 6 etot -6.7254E+01 mv 6 11 45 67 0 c 67 1.6 0.0 + 4 e 152 5 etot -6.6989E+01 mv 6 11 45 18 0 + 4 e 168 13 etot -7.4165E+01 mv 6 11 191 32 0 + 4 e 201 8 etot -6.8417E+01 mv 6 11 45 9 0 + 4 e 233 27 etot -7.9913E+01 mv 6 11 2 23 0 + 4 e 242 29 etot -6.6357E+01 mv 6 11 2 42 0 + 4 e 235 37 etot -8.0364E+01 mv 6 11 174 18 0 c 174 72.9 0.8 + 4 e 245 10 etot -7.1846E+01 mv 6 11 45 127 0 c 21 504.6 1.8 + 4 e 247 7 etot -6.9888E+01 mv 6 11 45 91 0 + 4 e 247 24 etot 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1 65 etot 1.3528E+20 mv 6 11 136 71 0 + 4 e 448 36 etot -7.3316E+01 mv 6 11 174 65 0 c 65 389.6 2.1 + 4 e 487 20 etot -7.1661E+01 mv 6 11 191 129 0 + 4 e 414 39 etot -8.6020E+01 mv 6 11 174 62 0 c 174 220.5 5.7 + 4 e 353 53 etot -7.7571E+01 mv 6 11 19 33 0 + 4 e 350 52 etot -7.7571E+01 mv 6 11 19 160 0 + 4 e 366 46 etot -7.6414E+01 mv 6 11 1 69 0 c 69 471.6 8.1 + 4 e 231 45 etot -7.4263E+01 mv 6 11 1 109 0 + 4 e 598 15 etot -8.0248E+01 mv 6 11 191 69 0 + 4 e 253 48 etot -7.8721E+01 mv 6 11 1 124 0 + 4 e 540 26 etot -7.8063E+01 mv 6 11 2 160 0 + 4 e 123 66 etot -7.2576E+01 mv 6 11 136 183 0 c 183 2.9 0.0 + 4 e 252 50 etot -6.8915E+01 mv 6 11 1 89 0 + 4 e 192 55 etot -6.8929E+01 mv 6 11 19 158 0 c 158 151.8 0.2 + 4 e 526 30 etot -7.2481E+01 mv 6 11 2 106 0 f 67 951.8 5.2 + 4 e 256 51 etot -7.8815E+01 mv 6 11 19 92 0 c 19 2.1 0.0 + -1 e 1 77 etot 1.3528E+20 mv 6 11 77 134 0 + 4 e 350 42 etot -7.9652E+01 mv 6 11 1 7 0 c 1 3.4 0.0 + 4 e 282 54 etot -7.8815E+01 mv 6 11 19 24 0 c 19 2.2 0.0 + -1 e 1 85 etot 1.3528E+20 mv 6 11 178 16 0 + 4 e 605 9 etot -7.1869E+01 mv 6 11 45 55 0 f 3 703.2 4.5 + 4 e 240 64 etot -5.9669E+01 mv 6 11 136 73 0 + 4 e 255 62 etot -7.9908E+01 mv 6 11 136 111 0 + 4 e 307 57 etot -7.0809E+01 mv 6 11 19 18 0 + 4 e 709 1 etot -6.4504E+01 mv 6 11 45 24 0 + -1 e 1 91 etot 1.3528E+20 mv 6 11 119 24 0 + 4 e 376 56 etot -7.1687E+01 mv 6 11 19 30 0 f 116 585.9 4.2 + 4 e 623 19 etot -7.4142E+01 mv 6 11 191 50 0 c 50 369.6 0.4 + -1 e 1 94 etot 1.3528E+20 mv 6 11 119 167 0 + 8 e 55 79 etot -6.3994E+01 mv 6 11 77 195 0 + 4 e 363 60 etot -7.8815E+01 mv 6 11 19 141 0 + 4 e 172 74 etot -6.0124E+01 mv 6 11 77 32 0 + 4 e 425 43 etot -8.2048E+01 mv 6 11 1 160 0 c 1 375.2 2.4 + 4 e 114 90 etot -5.8467E+01 mv 6 11 178 103 0 + 4 e 364 61 etot -6.9473E+01 mv 6 11 136 186 0 c 186 192.3 1.3 + 4 e 611 41 etot -7.5044E+01 mv 6 11 1 40 0 + 4 e 241 72 etot -7.6750E+01 mv 6 11 77 128 0 c 128 356.8 0.3 + 4 e 145 95 etot -7.3625E+01 mv 6 11 119 3 0 + 4 e 162 84 etot -6.6382E+01 mv 6 11 178 75 0 + 4 e 201 86 etot -8.1172E+01 mv 6 11 178 182 0 + 4 e 574 59 etot -7.6288E+01 mv 6 11 19 175 0 f 177 590.0 8.7 + 4 e 209 93 etot -7.1602E+01 mv 6 11 119 49 0 + 4 e 333 68 etot -7.6313E+01 mv 6 11 136 118 0 + 4 e 271 87 etot -5.8446E+01 mv 6 11 178 73 0 + 4 e 315 73 etot -7.7548E+01 mv 6 11 77 22 0 + 4 e 332 75 etot -8.1894E+01 mv 6 11 77 118 0 c 77 3.3 0.0 + -1 e 1 112 etot 1.3528E+20 mv 6 11 112 131 0 + 4 e 207 97 etot -8.0715E+01 mv 6 11 119 108 0 c 119 4.7 0.0 + 4 e 310 76 etot -7.0135E+01 mv 6 11 77 154 0 f 115 657.0 2.6 + -1 e 1 114 etot 1.3528E+20 mv 6 11 112 152 0 + 4 e 216 98 etot -6.9805E+01 mv 6 11 119 190 0 + 4 e 169 96 etot -6.3279E+01 mv 6 11 119 59 0 + 4 e 526 70 etot -8.0969E+01 mv 6 11 136 125 0 + 4 e 341 83 etot -8.1212E+01 mv 6 11 178 155 0 + 4 e 312 92 etot -7.4736E+01 mv 6 11 119 13 0 + 4 e 274 82 etot -7.7755E+01 mv 6 11 178 103 0 + 4 e 219 100 etot -7.2458E+01 mv 6 11 119 112 0 + 4 e 372 88 etot -7.9063E+01 mv 6 11 178 197 0 + 4 e 249 101 etot -7.6058E+01 mv 6 11 194 21 0 + 4 e 122 113 etot -7.6542E+01 mv 6 11 112 75 0 c 75 117.4 1.1 + 4 e 641 67 etot -8.3763E+01 mv 6 11 136 179 0 c 136 165.7 2.5 + 4 e 636 69 etot -8.0766E+01 mv 6 11 136 144 0 + 4 e 336 81 etot -7.7991E+01 mv 6 11 178 97 0 + 4 e 214 106 etot -7.5487E+01 mv 6 11 194 125 0 + 4 e 495 71 etot -7.1628E+01 mv 6 11 77 91 0 + 4 e 692 44 etot -7.9357E+01 mv 6 11 1 161 0 + 4 e 237 107 etot -7.4450E+01 mv 6 11 194 86 0 + 4 e 195 115 etot -6.6390E+01 mv 6 11 112 166 0 + 4 e 234 116 etot -6.9173E+01 mv 6 11 112 73 0 + 4 e 505 89 etot -7.8753E+01 mv 6 11 178 127 0 + 4 e 213 120 etot -6.7454E+01 mv 6 11 112 19 0 + 4 e 605 78 etot -7.9912E+01 mv 6 11 77 46 0 + 4 e 387 80 etot -7.7733E+01 mv 6 11 77 43 0 + -1 e 1 139 etot 1.3528E+20 mv 6 11 36 188 0 + 4 e 281 119 etot -6.6681E+01 mv 6 11 112 115 0 + 4 e 194 128 etot -6.2993E+01 mv 6 11 143 187 0 + -1 e 1 142 etot 1.3528E+20 mv 6 11 27 146 0 + 4 e 281 117 etot -7.6817E+01 mv 6 11 112 176 0 c 176 327.2 2.5 + 4 e 272 121 etot -8.0103E+01 mv 6 11 143 46 0 c 143 2.3 0.0 + 4 e 398 108 etot -6.0446E+01 mv 6 11 194 151 0 + 4 e 399 110 etot -7.0675E+01 mv 6 11 194 174 0 + 4 e 223 130 etot -7.4387E+01 mv 6 11 143 36 0 + -1 e 1 148 etot 1.3528E+20 mv 6 11 27 152 0 + 4 e 208 118 etot -7.5649E+01 mv 6 11 112 102 0 c 112 2.6 0.0 + 4 e 489 104 etot -6.3018E+01 mv 6 11 194 94 0 + 4 e 339 99 etot -7.8697E+01 mv 6 11 119 8 0 + 4 e 511 103 etot -7.2017E+01 mv 6 11 194 150 0 + 4 e 221 134 etot -6.7050E+01 mv 6 11 36 102 0 + 4 e 310 126 etot -7.8626E+01 mv 6 11 143 139 0 + -1 e 1 155 etot 1.3528E+20 mv 6 11 126 198 0 + 8 e 172 132 etot -6.3986E+01 mv 6 11 36 115 0 + 4 e 565 102 etot -6.3880E+01 mv 6 11 194 3 0 + 4 e 210 138 etot -7.6796E+01 mv 6 11 36 76 0 c 36 2.8 0.0 + 4 e 354 127 etot -7.1874E+01 mv 6 11 143 198 0 + 4 e 415 125 etot -7.9306E+01 mv 6 11 143 75 0 + 4 e 425 124 etot -6.9030E+01 mv 6 11 143 190 0 + 4 e 542 111 etot -7.3741E+01 mv 6 11 112 156 0 + 4 e 374 105 etot -6.4128E+01 mv 6 11 194 166 0 + 4 e 435 133 etot -6.3486E+01 mv 6 11 36 7 0 + 4 e 359 136 etot -7.8955E+01 mv 6 11 36 153 0 c 54 512.6 9.3 + 4 e 286 146 etot -6.7837E+01 mv 6 11 27 26 0 + 4 e 317 141 etot -8.0209E+01 mv 6 11 27 47 0 c 27 408.3 3.9 + 4 e 347 143 etot -7.6557E+01 mv 6 11 27 9 0 + -1 e 1 169 etot 1.3528E+20 mv 6 11 41 72 0 + 4 e 427 135 etot -7.7617E+01 mv 6 11 36 180 0 c 180 3.4 0.0 + 4 e 221 159 etot -6.7751E+01 mv 6 11 126 86 0 f 156 589.8 0.1 + 4 e 626 123 etot -7.8169E+01 mv 6 11 143 128 0 c 128 464.9 1.4 + 4 e 325 149 etot -7.5436E+01 mv 6 11 27 194 0 + 4 e 264 158 etot -5.7040E+01 mv 6 11 126 90 0 + 8 e 310 153 etot -6.3986E+01 mv 6 11 126 107 0 + 4 e 561 131 etot -6.7261E+01 mv 6 11 36 110 0 + 4 e 276 160 etot -7.2780E+01 mv 6 11 126 24 0 f 121 570.6 5.1 + 4 e 187 165 etot -7.4206E+01 mv 6 11 41 151 0 c 151 154.1 1.5 + 4 e 485 144 etot -7.3039E+01 mv 6 11 27 54 0 f 159 631.8 5.4 + 4 e 258 152 etot -7.4632E+01 mv 6 11 126 162 0 c 126 3.3 0.0 + 4 e 579 109 etot -7.6284E+01 mv 6 11 194 115 0 + 4 e 430 151 etot -7.3013E+01 mv 6 11 126 98 0 + 4 e 475 129 etot -7.9377E+01 mv 6 11 143 167 0 + 4 e 318 163 etot -7.4659E+01 mv 6 11 41 176 0 f 164 668.5 7.0 + 4 e 549 122 etot -8.0039E+01 mv 6 11 143 14 0 + 4 e 445 156 etot -7.0002E+01 mv 6 11 126 189 0 f 156 611.1 2.3 + 4 e 212 170 etot -6.1591E+01 mv 6 11 41 72 0 + 4 e 490 154 etot -7.2301E+01 mv 6 11 126 106 0 f 44 733.5 4.5 + 4 e 648 137 etot -6.9254E+01 mv 6 11 36 199 0 + 4 e 240 164 etot -7.4332E+01 mv 6 11 41 187 0 + 4 e 408 140 etot -7.1060E+01 mv 6 11 36 103 0 + 4 e 619 145 etot -6.8242E+01 mv 6 11 27 100 0 + 4 e 359 166 etot -6.6684E+01 mv 6 11 41 35 0 + -1 e 1 194 etot 1.3528E+20 mv 6 11 11 26 0 + 4 e 463 162 etot -7.4137E+01 mv 6 11 41 154 0 c 154 359.0 3.0 + 4 e 492 161 etot -6.1255E+01 mv 6 11 41 190 0 + 4 e 393 157 etot -6.3807E+01 mv 6 11 126 139 0 + 4 e 276 178 etot -6.8212E+01 mv 6 11 76 68 0 + 4 e 318 173 etot -7.4115E+01 mv 6 11 76 79 0 + 4 e 326 177 etot -6.3160E+01 mv 6 11 76 123 0 + 4 e 384 171 etot -7.4481E+01 mv 6 11 76 191 0 f 62 626.8 6.7 + 4 e 379 174 etot -6.9578E+01 mv 6 11 76 160 0 + 4 e 726 147 etot -7.0219E+01 mv 6 11 27 93 0 f 195 628.9 2.3 + -1 e 1 203 etot 2.1736E+26 mv 2 11 45 -2 0 + 4 e 439 150 etot -6.9678E+01 mv 6 11 27 186 0 c 186 294.8 0.2 + 4 e 405 172 etot -6.3983E+01 mv 6 11 76 33 0 + -1 e 1 207 etot 1.3528E+20 mv 2 11 191 -69 0 + 4 e 221 187 etot -8.2830E+01 mv 6 11 8 64 0 c 8 223.7 0.3 + 4 e 306 183 etot -6.9604E+01 mv 6 11 8 19 0 f 79 614.7 1.5 + 4 e 345 180 etot -6.4816E+01 mv 6 11 76 19 0 + 4 e 496 168 etot -7.2027E+01 mv 6 11 41 11 0 + 4 e 201 195 etot -6.6207E+01 mv 6 11 11 96 0 + 4 e 265 189 etot -6.5031E+01 mv 6 11 8 199 0 + 4 e 305 190 etot -8.2728E+01 mv 6 11 8 52 0 + -1 e 1 215 etot 1.3528E+20 mv 2 11 2 -58 0 + 4 e 519 175 etot -8.0468E+01 mv 6 11 76 157 0 c 19 446.2 1.7 + 4 e 623 167 etot -6.7113E+01 mv 6 11 41 85 0 + 4 e 169 205 etot -6.6509E+01 mv 2 11 45 -143 0 + 4 e 529 176 etot -7.0299E+01 mv 6 11 76 42 0 + 4 e 375 188 etot -7.6331E+01 mv 6 11 8 160 0 + 4 e 211 202 etot -5.3229E+01 mv 2 11 45 -78 0 + 4 e 451 185 etot -6.7215E+01 mv 6 11 8 164 0 + 4 e 315 196 etot -7.4826E+01 mv 6 11 11 115 0 c 11 232.5 0.9 + 4 e 316 199 etot -6.7536E+01 mv 6 11 11 158 0 + 4 e 355 182 etot -6.8565E+01 mv 6 11 8 35 0 f 97 750.5 0.5 + 4 e 131 216 etot -7.9603E+01 mv 2 11 174 -10 0 + 4 e 556 179 etot -7.6096E+01 mv 6 11 76 109 0 c 76 528.2 1.8 + 4 e 405 193 etot -7.3895E+01 mv 6 11 11 148 0 + -1 e 1 229 etot 1.3528E+20 mv 2 11 19 -52 0 + -1 e 1 230 etot 1.3528E+20 mv 2 11 19 -35 0 + -1 e 1 231 etot 1.3528E+20 mv 2 11 136 -115 0 + 4 e 208 213 etot -6.5429E+01 mv 2 11 2 -16 0 + 4 e 364 186 etot -7.3291E+01 mv 6 11 8 134 0 c 79 438.9 3.7 + -1 e 1 234 etot 1.3528E+20 mv 2 11 136 -60 0 + 4 e 152 219 etot -5.5891E+01 mv 2 11 174 -167 0 + 4 e 380 181 etot -6.8302E+01 mv 6 11 8 84 0 + 4 e 230 214 etot -5.7059E+01 mv 2 11 2 -77 0 + 4 e 431 197 etot -6.3513E+01 mv 6 11 11 106 0 + 4 e 297 191 etot -6.5831E+01 mv 6 11 11 94 0 + -1 e 1 240 etot 1.3528E+20 mv 2 11 77 -110 0 + 4 e 304 210 etot -8.3762E+01 mv 2 11 191 -98 0 + 4 e 214 217 etot -7.9603E+01 mv 2 11 174 -36 0 + 4 e 318 192 etot -7.1326E+01 mv 6 11 11 135 0 + -1 e 1 244 etot 1.3528E+20 mv 2 11 178 -19 0 + 4 e 394 204 etot -7.0342E+01 mv 2 11 45 -185 0 f 193 598.1 2.2 + 4 e 239 221 etot -7.9653E+01 mv 2 11 1 -68 0 + 4 e 360 198 etot -7.0152E+01 mv 6 11 11 119 0 f 59 705.7 2.0 + 4 e 508 200 etot -7.7563E+01 mv 6 11 11 119 0 c 101 482.6 5.4 + 4 e 442 208 etot -8.4723E+01 mv 2 11 191 -157 0 c 191 66.6 1.0 + 4 e 465 209 etot -8.1873E+01 mv 2 11 191 -41 0 + 4 e 543 201 etot -6.7299E+01 mv 2 11 45 -165 0 + 4 e 264 225 etot -7.9652E+01 mv 2 11 1 -179 0 + 4 e 512 184 etot -7.4668E+01 mv 6 11 8 194 0 f 71 802.4 6.5 + 4 e 388 218 etot -5.9507E+01 mv 2 11 174 -40 0 + -1 e 1 255 etot 1.3528E+20 mv 2 11 194 -141 0 + 4 e 383 222 etot -6.5413E+01 mv 2 11 1 -151 0 + 4 e 242 239 etot -7.5371E+01 mv 2 11 77 -198 0 + 4 e 496 211 etot -8.2357E+01 mv 2 11 2 -103 0 + 4 e 264 236 etot -8.1895E+01 mv 2 11 77 -69 0 c 77 2.6 0.0 + 4 e 370 223 etot -6.4572E+01 mv 2 11 1 -87 0 + 4 e 404 220 etot -7.0386E+01 mv 2 11 174 -53 0 + -1 e 1 261 etot 1.3528E+20 mv 2 11 143 -5 0 + 4 e 163 245 etot -6.1118E+01 mv 2 11 178 -141 0 + 4 e 583 212 etot -6.4983E+01 mv 2 11 2 -90 0 + 4 e 379 232 etot -6.7425E+01 mv 2 11 136 -59 0 + -1 e 1 266 etot 1.3528E+20 mv 2 11 36 -188 0 + -1 e 1 267 etot 1.3528E+20 mv 2 11 36 -22 0 + 4 e 163 256 etot -6.7419E+01 mv 2 11 112 -67 0 + 4 e 277 250 etot -7.9847E+01 mv 2 11 119 -167 0 + 4 e 399 238 etot -7.8185E+01 mv 2 11 77 -22 0 + 4 e 277 252 etot -5.6173E+01 mv 2 11 194 -11 0 + -1 e 1 272 etot 1.3528E+20 mv 2 11 27 -109 0 + 4 e 494 233 etot -7.5852E+01 mv 2 11 136 -88 0 + 4 e 211 263 etot -7.0162E+01 mv 2 11 143 -130 0 + 4 e 354 235 etot -8.1299E+01 mv 2 11 136 -168 0 + 4 e 343 249 etot -7.7927E+01 mv 2 11 119 -90 0 + 4 e 545 227 etot -5.4833E+01 mv 2 11 19 -164 0 + 4 e 350 241 etot -7.3647E+01 mv 2 11 178 -141 0 + -1 e 1 279 etot 1.3528E+20 mv 2 11 126 -140 0 + 4 e 555 206 etot -7.6086E+01 mv 2 11 191 -51 0 + 4 e 622 224 etot -7.5443E+01 mv 2 11 1 -189 0 f 198 587.5 7.3 + 4 e 346 253 etot -5.8711E+01 mv 2 11 194 -39 0 + 4 e 202 265 etot -8.0103E+01 mv 2 11 143 -86 0 c 143 1.9 0.0 + 4 e 647 228 etot -6.1019E+01 mv 2 11 19 -142 0 + 4 e 309 258 etot -5.8550E+01 mv 2 11 112 -44 0 + 4 e 247 254 etot -7.4588E+01 mv 2 11 194 -27 0 + 4 e 483 246 etot -8.1271E+01 mv 2 11 119 -122 0 c 119 89.7 0.6 + 4 e 555 242 etot -7.2680E+01 mv 2 11 178 -182 0 + 4 e 329 248 etot -6.9438E+01 mv 2 11 119 -126 0 f 57 593.9 1.1 + 4 e 224 264 etot -5.5312E+01 mv 2 11 143 -158 0 + 4 e 362 260 etot -7.3007E+01 mv 2 11 112 -122 0 + 4 e 503 247 etot -7.2678E+01 mv 2 11 119 -66 0 + 4 e 375 259 etot -6.7323E+01 mv 2 11 112 -100 0 + -1 e 1 294 etot 1.3528E+20 mv 2 11 8 -197 0 + 4 e 364 262 etot -6.7338E+01 mv 2 11 143 -80 0 + 4 e 161 274 etot -6.6136E+01 mv 2 11 27 -146 0 + 4 e 513 226 etot -7.1511E+01 mv 2 11 19 -63 0 + 4 e 509 251 etot -6.5680E+01 mv 2 11 194 -192 0 + -1 e 1 299 etot 1.3528E+20 mv 2 11 11 -71 0 + 4 e 124 280 etot -5.5286E+01 mv 2 11 126 -100 0 + 4 e 262 271 etot -6.9390E+01 mv 2 11 27 -90 0 + -1 e 1 302 etot 1.3528E+20 mv 1 11 45 -67 0 + 4 e 689 243 etot -7.4380E+01 mv 2 11 178 -29 0 + 4 e 236 278 etot -6.2316E+01 mv 2 11 126 -30 0 + 4 e 175 276 etot -7.3482E+01 mv 2 11 126 -166 0 + 4 e 309 273 etot -6.4347E+01 mv 2 11 27 -68 0 + 4 e 532 237 etot -7.7434E+01 mv 2 11 77 -8 0 + -1 e 1 308 etot 1.3528E+20 mv 1 11 191 -140 0 + 4 e 216 288 etot -5.1785E+01 mv 2 11 76 -152 0 + 4 e 265 283 etot -6.0341E+01 mv 2 11 41 -14 0 + 4 e 565 257 etot -7.1487E+01 mv 2 11 112 -76 0 + 4 e 272 286 etot -7.0651E+01 mv 2 11 76 -86 0 f 16 622.4 2.3 + -1 e 1 313 etot 3.2944E+22 mv 1 11 2 -55 0 + 4 e 431 270 etot -7.2690E+01 mv 2 11 36 -161 0 + 4 e 221 295 etot -8.2537E+01 mv 2 11 8 -143 0 + 4 e 254 289 etot -6.6258E+01 mv 2 11 76 -145 0 + 4 e 172 290 etot -7.4292E+01 mv 2 11 76 -44 0 c 16 374.3 3.6 + 4 e 439 275 etot -7.0959E+01 mv 2 11 27 -121 0 + 4 e 374 285 etot -7.2485E+01 mv 2 11 41 -120 0 + 4 e 594 268 etot -7.3015E+01 mv 2 11 36 -48 0 + 4 e 546 269 etot -7.5774E+01 mv 2 11 36 -130 0 + 4 e 264 291 etot -8.2538E+01 mv 2 11 8 -81 0 + 4 e 149 316 etot -7.9603E+01 mv 1 11 174 -6 0 + 4 e 516 282 etot -7.3494E+01 mv 2 11 41 -146 0 f 173 634.4 5.2 + 4 e 516 284 etot -7.3284E+01 mv 2 11 41 -115 0 + 4 e 361 303 etot -7.2516E+01 mv 1 11 45 -131 0 c 193 536.0 2.2 + 4 e 354 287 etot -6.3685E+01 mv 2 11 76 -189 0 + 4 e 594 277 etot -5.9909E+01 mv 2 11 126 -122 0 + -1 e 1 329 etot 1.3528E+20 mv 1 11 19 -98 0 + 4 e 265 317 etot -6.9940E+01 mv 1 11 174 -199 0 + 4 e 391 304 etot -6.9102E+01 mv 1 11 45 -195 0 + 4 e 277 315 etot -8.2359E+01 mv 1 11 2 -93 0 c 2 2.4 0.0 + 4 e 259 306 etot -8.2842E+01 mv 1 11 191 -193 0 + 4 e 465 300 etot -7.3895E+01 mv 2 11 11 -8 0 + 4 e 437 305 etot -6.9590E+01 mv 1 11 45 -145 0 + 4 e 376 310 etot -8.0604E+01 mv 1 11 191 -96 0 + 4 e 584 293 etot -6.4470E+01 mv 2 11 8 -140 0 + 4 e 285 319 etot -7.0515E+01 mv 1 11 174 -10 0 + 4 e 147 327 etot -6.0040E+01 mv 1 11 19 -166 0 + 4 e 590 296 etot -7.3894E+01 mv 2 11 11 -120 0 + 4 e 604 297 etot -7.0822E+01 mv 2 11 11 -20 0 + 4 e 404 312 etot -7.8082E+01 mv 1 11 2 -17 0 + 4 e 398 314 etot -6.9416E+01 mv 1 11 2 -48 0 + 4 e 624 292 etot -6.7701E+01 mv 2 11 8 -29 0 + 4 e 199 325 etot -7.8721E+01 mv 1 11 1 -134 0 + 4 e 465 307 etot -7.2988E+01 mv 1 11 191 -30 0 f 53 666.9 4.6 + 4 e 142 333 etot -6.2307E+01 mv 1 11 136 -153 0 + 4 e 415 298 etot -6.5783E+01 mv 2 11 11 -12 0 + 4 e 137 337 etot -6.6194E+01 mv 1 11 77 -162 0 + 4 e 216 330 etot -6.8071E+01 mv 1 11 19 -14 0 + 4 e 333 324 etot -7.9952E+01 mv 1 11 1 -55 0 c 198 386.1 4.5 + -1 e 1 352 etot 1.3528E+20 mv 1 11 194 -19 0 + 4 e 466 301 etot -6.7250E+01 mv 1 11 45 -172 0 + 4 e 557 311 etot -8.2045E+01 mv 1 11 2 -194 0 + 4 e 595 281 etot -7.2045E+01 mv 2 11 41 -48 0 + 4 e 444 321 etot -7.9652E+01 mv 1 11 1 -158 0 + 4 e 177 341 etot -7.9690E+01 mv 1 11 178 -160 0 + 4 e 232 328 etot -6.9777E+01 mv 1 11 19 -150 0 + 4 e 392 318 etot -7.7781E+01 mv 1 11 174 -57 0 + 4 e 515 320 etot -7.6221E+01 mv 1 11 174 -191 0 + 4 e 402 326 etot -7.8814E+01 mv 1 11 19 -7 0 c 49 360.0 0.7 + 4 e 238 334 etot -6.1900E+01 mv 1 11 136 -86 0 + 4 e 274 339 etot -8.1799E+01 mv 1 11 77 -50 0 + 4 e 254 343 etot -8.1169E+01 mv 1 11 178 -43 0 + -1 e 1 365 etot 1.3528E+20 mv 1 11 143 -190 0 + 4 e 247 346 etot -8.0701E+01 mv 1 11 119 -123 0 + 4 e 246 348 etot -6.9171E+01 mv 1 11 119 -1 0 + 4 e 341 323 etot -7.8721E+01 mv 1 11 1 -48 0 + 4 e 381 335 etot -7.3364E+01 mv 1 11 136 -24 0 + 4 e 318 340 etot -8.1894E+01 mv 1 11 77 -157 0 + -1 e 1 371 etot 1.3528E+20 mv 1 11 27 -181 0 + 4 e 419 332 etot -7.9041E+01 mv 1 11 136 -179 0 + 4 e 190 355 etot -7.6058E+01 mv 1 11 194 -140 0 + 4 e 116 356 etot -7.5649E+01 mv 1 11 112 -20 0 c 112 2.0 0.0 + 4 e 357 342 etot -7.5521E+01 mv 1 11 178 -197 0 + 4 e 641 322 etot -6.6321E+01 mv 1 11 1 -191 0 + -1 e 1 377 etot 1.3528E+20 mv 1 11 126 -172 0 + 4 e 145 359 etot -7.5649E+01 mv 1 11 112 -147 0 c 112 0.8 0.0 + 4 e 268 353 etot -7.6355E+01 mv 1 11 194 -67 0 c 194 72.0 0.3 + -1 e 1 379 etot 1.3528E+20 mv 1 11 126 -161 0 + 4 e 396 344 etot -7.2403E+01 mv 1 11 178 -165 0 + 4 e 368 347 etot -6.5099E+01 mv 1 11 119 -46 0 + -1 e 1 383 etot 1.3528E+20 mv 1 11 41 -26 0 + 4 e 603 309 etot -8.2708E+01 mv 1 11 191 -120 0 + 4 e 350 351 etot -7.3817E+01 mv 1 11 194 -166 0 + 4 e 142 363 etot -6.4282E+01 mv 1 11 143 -121 0 + 4 e 232 362 etot -6.5987E+01 mv 1 11 143 -199 0 + 4 e 561 331 etot -8.1702E+01 mv 1 11 136 -188 0 + 4 e 538 338 etot -6.4833E+01 mv 1 11 77 -132 0 + 4 e 153 376 etot -6.2843E+01 mv 1 11 126 -3 0 + 4 e 257 354 etot -7.5823E+01 mv 1 11 194 -5 0 + 4 e 339 358 etot -5.8702E+01 mv 1 11 112 -94 0 + 4 e 212 360 etot -6.4615E+01 mv 1 11 112 -99 0 + 4 e 563 336 etot -8.1272E+01 mv 1 11 77 -130 0 + 4 e 248 367 etot -6.3298E+01 mv 1 11 36 -75 0 + 4 e 219 370 etot -7.6797E+01 mv 1 11 36 -147 0 c 36 1.3 0.0 + 4 e 529 345 etot -7.4514E+01 mv 1 11 178 -46 0 + 4 e 382 357 etot -6.4062E+01 mv 1 11 112 -102 0 + 8 e 106 381 etot -6.3991E+01 mv 1 11 41 -33 0 + 4 e 335 366 etot -6.7477E+01 mv 1 11 36 -77 0 + 4 e 285 372 etot -7.1470E+01 mv 1 11 27 -83 0 + 4 e 382 349 etot -7.5793E+01 mv 1 11 119 -139 0 + 4 e 351 364 etot -6.8169E+01 mv 1 11 143 -35 0 + 4 e 201 384 etot -5.6487E+01 mv 1 11 41 -77 0 + 4 e 542 350 etot -7.8676E+01 mv 1 11 119 -66 0 + 4 e 52 402 etot -8.3762E+01 mv 0 11 191 0 0 + 4 e 69 401 etot -6.7081E+01 mv 0 11 45 0 0 + 4 e 54 404 etot -7.9603E+01 mv 0 11 174 0 0 + 4 e 479 361 etot -7.8906E+01 mv 1 11 143 -175 0 + 4 e 393 373 etot -7.6478E+01 mv 1 11 27 -171 0 + 4 e 438 368 etot -7.2070E+01 mv 1 11 36 -111 0 + 4 e 113 405 etot -7.9653E+01 mv 0 11 1 0 0 + 4 e 199 396 etot -7.3895E+01 mv 1 11 11 -172 0 + 4 e 215 395 etot -8.2537E+01 mv 1 11 8 -58 0 + 4 e 104 403 etot -8.2359E+01 mv 0 11 2 0 0 c 2 1.6 0.0 + 4 e 114 408 etot -8.1895E+01 mv 0 11 77 0 0 c 77 0.8 0.0 + 4 e 147 406 etot -7.8815E+01 mv 0 11 19 0 0 c 49 1.3 0.0 + 4 e 80 411 etot -7.6058E+01 mv 0 11 194 0 0 + 4 e 140 409 etot -8.1213E+01 mv 0 11 178 0 0 c 178 0.8 0.0 +## N0 total= 26 close= 10 far= 0 %acc 38.5 +## N1 total= 94 close= 9 far= 3 %acc 12.8 +## N2 total= 100 close= 5 far= 5 %acc 10.0 +## N3 total= 0 close= 0 far= 0 %acc 0.0 +## N4 total= 0 close= 0 far= 0 %acc 0.0 +## N5 total= 0 close= 0 far= 0 %acc 0.0 +## N6 total= 200 close= 39 far= 21 %acc 30.0 +## N7 total= 0 close= 0 far= 0 %acc 0.0 +## N8 total= 0 close= 0 far= 0 %acc 0.0 +## N9 total= 0 close= 0 far= 0 %acc 0.0 +##N10 total= 0 close= 0 far= 0 %acc 0.0 +##N11 total= 0 close= 0 far= 0 %acc 0.0 +##N12 total= 0 close= 0 far= 0 %acc 0.0 +##N13 total= 0 close= 0 far= 0 %acc 0.0 +##N14 total= 0 close= 0 far= 0 %acc 0.0 +##N15 total= 0 close= 0 far= 0 %acc 0.0 +##N16 total= 0 close= 0 far= 0 %acc 0.0 +##N17 total= 0 close= 0 far= 0 %acc 0.0 +##N18 total= 0 close= 0 far= 0 %acc 0.0 + Time for refresh 12 0.41 + make_var : nseed= 20 ntry= 420 + Time for make trial 13 0.10 +Nonsetup time 28.40 sec, Eval/s = 61187.52 +Time for iter 13 2.02 sec, Eval/s = 64640.50 + UPDATING 420 + 4 e 541 399 etot -7.5861E+01 mv 1 11 11 -86 0 c 29 537.7 5.9 + 4 e 214 410 etot -8.0701E+01 mv 0 11 119 0 0 + 4 e 125 414 etot -7.6797E+01 mv 0 11 36 0 0 c 36 0.5 0.0 + 4 e 129 413 etot -8.0103E+01 mv 0 11 143 0 0 c 143 1.2 0.0 + 4 e 670 388 etot -7.5724E+01 mv 1 11 76 -138 0 + 4 e 575 393 etot -7.9380E+01 mv 1 11 8 -38 0 f 4 720.2 11.0 + 4 e 146 420 etot -7.3895E+01 mv 0 11 11 0 0 + 4 e 120 419 etot -8.2538E+01 mv 0 11 8 0 0 + 4 e 112 418 etot -7.4292E+01 mv 0 11 76 0 0 c 16 0.6 0.0 + -1 e 1 1 etot 1.3528E+20 mv 6 12 152 48 0 + 4 e 529 380 etot -6.8194E+01 mv 1 11 126 -24 0 + 4 e 469 382 etot -7.0169E+01 mv 1 11 41 -8 0 + 4 e 683 391 etot -7.9991E+01 mv 1 11 8 -32 0 + 4 e 508 374 etot -6.9018E+01 mv 1 11 27 -148 0 + 4 e 533 378 etot -7.4776E+01 mv 1 11 126 -72 0 c 126 126.6 0.1 + 4 e 329 397 etot -5.7819E+01 mv 1 11 11 -193 0 + 4 e 203 407 etot -8.1300E+01 mv 0 11 136 0 0 + 4 e 82 415 etot -7.6316E+01 mv 0 11 27 0 0 c 159 369.3 3.3 + 4 e 348 398 etot 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etot -6.5613E+01 mv 2 12 75 -197 0 + 4 e 370 362 etot -6.9115E+01 mv 1 12 11 -81 0 + 4 e 266 370 etot -7.6678E+01 mv 1 12 118 -67 0 c 118 19.3 0.2 + 4 e 250 364 etot -7.4826E+01 mv 1 12 11 -141 0 c 11 1.9 0.0 + 4 e 268 361 etot -7.4826E+01 mv 1 12 11 -179 0 + 4 e 381 363 etot -6.2847E+01 mv 1 12 11 -34 0 + 4 e 449 355 etot -5.3736E+01 mv 1 12 194 -104 0 + 4 e 345 369 etot -7.7307E+01 mv 1 12 118 -34 0 c 118 218.7 0.6 + 4 e 190 379 etot -6.9315E+01 mv 1 12 167 -72 0 + 4 e 318 371 etot -6.8579E+01 mv 1 12 54 -32 0 + 4 e 209 380 etot -7.5651E+01 mv 1 12 167 -123 0 + 4 e 583 348 etot -6.8581E+01 mv 1 12 72 -35 0 + 4 e 414 352 etot -6.6309E+01 mv 1 12 194 -14 0 + 4 e 561 358 etot -5.8780E+01 mv 1 12 76 -102 0 + 4 e 214 385 etot -7.4670E+01 mv 1 12 71 -143 0 + 8 e 438 349 etot -6.3995E+01 mv 1 12 72 -44 0 + 4 e 589 359 etot -7.2482E+01 mv 1 12 76 -168 0 + 4 e 239 386 etot -7.4095E+01 mv 1 12 164 -131 0 + 4 e 359 378 etot -7.1338E+01 mv 1 12 167 -19 0 + 4 e 290 373 etot -7.8957E+01 mv 1 12 54 -32 0 + 4 e 600 365 etot -6.2649E+01 mv 1 12 11 -72 0 + 4 e 90 401 etot -7.1575E+01 mv 0 12 152 0 0 + 4 e 257 389 etot -7.3179E+01 mv 1 12 164 -181 0 + 4 e 235 390 etot -7.4659E+01 mv 1 12 164 -196 0 + 4 e 675 356 etot -6.7711E+01 mv 1 12 76 -144 0 + 4 e 592 367 etot -7.9006E+01 mv 1 12 118 -141 0 f 122 585.2 9.4 + 4 e 326 375 etot -6.8257E+01 mv 1 12 54 -133 0 + 4 e 196 399 etot -6.9855E+01 mv 1 12 75 -197 0 + 4 e 129 402 etot -8.4725E+01 mv 0 12 191 0 0 c 191 1.8 0.0 + 4 e 67 409 etot -7.7268E+01 mv 0 12 86 0 0 + 4 e 524 372 etot -7.2579E+01 mv 1 12 54 -65 0 f 73 551.9 3.0 + 4 e 261 396 etot -7.6541E+01 mv 1 12 75 -136 0 + 4 e 291 393 etot -7.3225E+01 mv 1 12 62 -72 0 +## N0 total= 14 close= 7 far= 0 %acc 50.0 +## N1 total= 106 close= 14 far= 10 %acc 22.6 +## N2 total= 100 close= 9 far= 4 %acc 13.0 +## N3 total= 0 close= 0 far= 0 %acc 0.0 +## N4 total= 0 close= 0 far= 0 %acc 0.0 +## N5 total= 0 close= 0 far= 0 %acc 0.0 +## N6 total= 200 close= 39 far= 18 %acc 28.5 +## N7 total= 0 close= 0 far= 0 %acc 0.0 +## N8 total= 0 close= 0 far= 0 %acc 0.0 +## N9 total= 0 close= 0 far= 0 %acc 0.0 +##N10 total= 0 close= 0 far= 0 %acc 0.0 +##N11 total= 0 close= 0 far= 0 %acc 0.0 +##N12 total= 0 close= 0 far= 0 %acc 0.0 +##N13 total= 0 close= 0 far= 0 %acc 0.0 +##N14 total= 0 close= 0 far= 0 %acc 0.0 +##N15 total= 0 close= 0 far= 0 %acc 0.0 +##N16 total= 0 close= 0 far= 0 %acc 0.0 +##N17 total= 0 close= 0 far= 0 %acc 0.0 +##N18 total= 0 close= 0 far= 0 %acc 0.0 + Time for refresh 13 0.43 + make_var : nseed= 20 ntry= 420 + Time for make trial 14 0.09 +Nonsetup time 30.46 sec, Eval/s = 61207.80 +Time for iter 14 2.06 sec, Eval/s = 61487.03 + UPDATING 420 + 4 e 61 420 etot -7.6542E+01 mv 0 12 75 0 0 + 4 e 155 419 etot -7.4482E+01 mv 0 12 62 0 0 + 4 e 132 417 etot -7.4670E+01 mv 0 12 71 0 0 + 4 e 502 394 etot -6.5727E+01 mv 1 12 62 -109 0 + 4 e 299 381 etot -7.4670E+01 mv 1 12 71 -111 0 + 4 e 118 412 etot -7.6098E+01 mv 0 12 76 0 0 + 4 e 359 397 etot -5.9511E+01 mv 1 12 75 -105 0 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6 13 49 177 0 + 4 e 276 52 etot -7.2603E+01 mv 6 13 1 61 0 + 4 e 276 45 etot -8.1663E+01 mv 6 13 24 192 0 + 4 e 301 49 etot -7.7308E+01 mv 6 13 24 119 0 + 4 e 293 64 etot -7.3659E+01 mv 6 13 72 152 0 + 4 e 239 71 etot -7.8815E+01 mv 6 13 49 47 0 + 4 e 352 51 etot -6.7264E+01 mv 6 13 1 91 0 + 8 e 241 69 etot -6.3987E+01 mv 6 13 72 190 0 + 4 e 347 55 etot -6.9363E+01 mv 6 13 1 93 0 + 4 e 395 53 etot -7.1095E+01 mv 6 13 1 95 0 + 4 e 174 77 etot -7.3120E+01 mv 6 13 49 187 0 c 187 2.9 0.0 + 4 e 120 89 etot -6.7965E+01 mv 6 13 174 21 0 + 4 e 278 70 etot -7.0214E+01 mv 6 13 72 173 0 + 4 e 205 78 etot -7.2798E+01 mv 6 13 49 74 0 + 4 e 217 81 etot -6.0440E+01 mv 6 13 174 17 0 + -1 e 1 91 etot 1.3528E+20 mv 6 13 4 122 0 + 4 e 326 75 etot -7.0151E+01 mv 6 13 49 89 0 + 4 e 401 74 etot -7.2793E+01 mv 6 13 49 127 0 + 4 e 490 48 etot -7.8229E+01 mv 6 13 24 121 0 f 181 548.2 8.5 + 4 e 529 56 etot -6.9594E+01 mv 6 13 1 46 0 + 4 e 541 58 etot -6.5999E+01 mv 6 13 1 95 0 + 4 e 223 76 etot -6.9965E+01 mv 6 13 49 95 0 + 4 e 288 85 etot -8.6222E+01 mv 6 13 174 72 0 + 4 e 385 68 etot -7.1186E+01 mv 6 13 72 199 0 f 132 562.4 1.4 + 4 e 299 86 etot -8.0689E+01 mv 6 13 174 135 0 + 4 e 219 94 etot -7.9090E+01 mv 6 13 4 72 0 + 4 e 625 62 etot -6.4135E+01 mv 6 13 72 69 0 + 4 e 213 96 etot -7.9382E+01 mv 6 13 4 93 0 c 4 2.9 0.0 + 4 e 109 93 etot -7.5547E+01 mv 6 13 4 15 0 c 15 3.2 0.0 + 4 e 344 90 etot -8.4326E+01 mv 6 13 174 123 0 c 123 352.4 4.1 + 4 e 364 88 etot -8.0581E+01 mv 6 13 174 65 0 + 4 e 239 97 etot -6.2796E+01 mv 6 13 4 75 0 + 4 e 676 65 etot -6.7985E+01 mv 6 13 72 168 0 + 4 e 99 111 etot -7.2441E+01 mv 6 13 87 20 0 c 20 2.6 0.0 + 4 e 250 100 etot -7.7793E+01 mv 6 13 4 153 0 + 4 e 467 84 etot -8.4594E+01 mv 6 13 174 104 0 + 4 e 254 66 etot -5.8146E+01 mv 6 13 72 94 0 + 4 e 321 99 etot -7.3816E+01 mv 6 13 4 148 0 + 4 e 503 87 etot -8.0265E+01 mv 6 13 174 1 0 + 4 e 420 92 etot -7.2720E+01 mv 6 13 4 60 0 c 60 448.2 1.4 + 4 e 161 112 etot -6.4132E+01 mv 6 13 87 61 0 + 4 e 540 72 etot -7.7690E+01 mv 6 13 49 81 0 c 105 428.6 1.6 + 4 e 205 110 etot -8.1191E+01 mv 6 13 122 192 0 + 4 e 289 104 etot -6.4363E+01 mv 6 13 122 17 0 + -1 e 1 129 etot 4.4290E+30 mv 6 13 88 150 0 + 4 e 591 61 etot -8.0230E+01 mv 6 13 72 152 0 + -1 e 1 131 etot 1.3528E+20 mv 6 13 135 173 0 + 4 e 443 95 etot -7.0134E+01 mv 6 13 4 111 0 + 4 e 396 103 etot -6.9129E+01 mv 6 13 122 108 0 + 4 e 123 123 etot -5.8302E+01 mv 6 13 88 174 0 + 4 e 356 105 etot -8.2423E+01 mv 6 13 122 123 0 + 4 e 628 83 etot -8.0779E+01 mv 6 13 174 154 0 c 145 424.3 4.7 + 4 e 216 109 etot -7.1083E+01 mv 6 13 122 134 0 + -1 e 1 138 etot 1.3528E+20 mv 6 13 135 69 0 + 4 e 384 98 etot -7.9381E+01 mv 6 13 4 122 0 + 4 e 397 108 etot -7.0132E+01 mv 6 13 122 60 0 + 4 e 412 106 etot -5.9048E+01 mv 6 13 122 16 0 + 4 e 203 126 etot -7.6796E+01 mv 6 13 88 128 0 + 4 e 628 67 etot -7.9612E+01 mv 6 13 72 171 0 + 4 e 387 101 etot -8.1155E+01 mv 6 13 122 127 0 c 127 456.3 0.5 + 4 e 421 113 etot -7.0825E+01 mv 6 13 87 50 0 + -1 e 1 146 etot 1.3528E+20 mv 6 13 115 183 0 + 4 e 408 116 etot -7.4180E+01 mv 6 13 87 124 0 f 81 569.2 4.4 + 4 e 568 102 etot -7.9327E+01 mv 6 13 122 18 0 c 118 168.1 2.0 + 4 e 336 121 etot -7.8275E+01 mv 6 13 88 186 0 + 4 e 263 133 etot -8.0428E+01 mv 6 13 135 83 0 + 4 e 436 119 etot -7.3962E+01 mv 6 13 87 133 0 + -1 e 1 152 etot 1.3528E+20 mv 6 13 188 73 0 + 4 e 229 127 etot -7.7421E+01 mv 6 13 88 73 0 + 4 e 257 135 etot -6.9916E+01 mv 6 13 135 199 0 + 4 e 249 134 etot -7.1703E+01 mv 6 13 135 29 0 + 4 e 494 117 etot -7.5888E+01 mv 6 13 87 71 0 + 4 e 383 124 etot -7.8198E+01 mv 6 13 88 166 0 + 4 e 448 120 etot -7.2003E+01 mv 6 13 87 143 0 + 4 e 326 132 etot -8.3733E+01 mv 6 13 135 161 0 c 152 318.4 2.0 + 4 e 698 38 etot -8.5238E+01 mv 6 13 192 21 0 c 192 439.1 1.4 + 4 e 272 140 etot -7.9570E+01 mv 6 13 135 24 0 + 4 e 424 125 etot -7.4435E+01 mv 6 13 88 195 0 + 4 e 420 128 etot -7.8275E+01 mv 6 13 88 148 0 + 4 e 539 118 etot -7.1552E+01 mv 6 13 87 32 0 c 32 474.2 1.3 + 4 e 286 142 etot -7.9204E+01 mv 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-141 0 + -1 e 1 221 etot 1.3528E+20 mv 2 13 24 -60 0 + -1 e 1 222 etot 1.3528E+20 mv 2 13 24 -33 0 + 4 e 258 190 etot -7.7598E+01 mv 6 13 160 86 0 + 4 e 458 184 etot -7.2378E+01 mv 6 13 160 55 0 f 133 645.4 2.5 + 4 e 304 198 etot -7.3731E+01 mv 6 13 57 79 0 f 147 582.8 3.9 + 4 e 562 177 etot -8.3358E+01 mv 6 13 76 1 0 c 1 281.5 1.3 + 4 e 636 173 etot -7.4384E+01 mv 6 13 76 196 0 f 99 600.6 4.5 + 4 e 265 203 etot -7.7385E+01 mv 2 13 104 -18 0 + -1 e 1 229 etot 1.3528E+20 mv 2 13 1 -20 0 + 4 e 343 201 etot -8.9182E+01 mv 2 13 104 -50 0 + 4 e 292 205 etot -8.9490E+01 mv 2 13 104 -101 0 + 4 e 511 185 etot -7.6888E+01 mv 6 13 160 105 0 + 4 e 209 212 etot -6.1985E+01 mv 2 13 70 -188 0 + 4 e 366 202 etot -7.3767E+01 mv 2 13 104 -37 0 + 4 e 678 176 etot -7.7829E+01 mv 6 13 76 82 0 f 30 548.3 7.9 + -1 e 1 237 etot 1.3528E+20 mv 2 13 49 -45 0 + -1 e 1 238 etot 1.3528E+20 mv 2 13 49 -189 0 + 4 e 131 224 etot -6.6147E+01 mv 2 13 24 -70 0 + 4 e 356 191 etot -7.1726E+01 mv 6 13 57 156 0 f 52 660.8 1.7 + 4 e 270 213 etot -7.9846E+01 mv 2 13 70 -105 0 + -1 e 1 242 etot 1.3528E+20 mv 2 13 174 -47 0 + 4 e 461 199 etot -7.5141E+01 mv 6 13 57 33 0 + -1 e 1 244 etot 1.3528E+20 mv 2 13 174 -64 0 + 4 e 329 211 etot -6.8006E+01 mv 2 13 70 -133 0 + 4 e 278 214 etot -6.6990E+01 mv 2 13 70 -184 0 + 4 e 166 217 etot -5.2290E+01 mv 2 13 192 -118 0 + 4 e 597 192 etot -7.8932E+01 mv 6 13 57 12 0 + 4 e 237 228 etot -6.2224E+01 mv 2 13 1 -67 0 + 4 e 527 178 etot -7.7067E+01 mv 6 13 76 175 0 c 78 295.3 4.0 + 4 e 166 236 etot -7.9258E+01 mv 2 13 49 -14 0 c 49 2.6 0.0 + 4 e 143 232 etot -5.4033E+01 mv 2 13 72 -180 0 + 4 e 233 234 etot -6.5613E+01 mv 2 13 72 -180 0 + 4 e 186 226 etot -8.2347E+01 mv 2 13 1 -81 0 + 4 e 521 206 etot -8.0933E+01 mv 2 13 108 -159 0 + 4 e 242 227 etot -6.0847E+01 mv 2 13 1 -186 0 + 4 e 151 246 etot -7.9382E+01 mv 2 13 4 -150 0 c 4 1.9 0.0 + 4 e 182 243 etot -6.3939E+01 mv 2 13 174 -164 0 + 4 e 362 218 etot -6.0948E+01 mv 2 13 192 -142 0 + 4 e 232 240 etot -6.9197E+01 mv 2 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3.3253E+32 mv 2 13 188 -12 0 + 4 e 243 260 etot -7.8940E+01 mv 2 13 87 -84 0 + 4 e 197 269 etot -6.6382E+01 mv 2 13 135 -184 0 + 4 e 441 247 etot -6.3983E+01 mv 2 13 4 -8 0 + 4 e 322 254 etot -7.9006E+01 mv 2 13 122 -48 0 + 4 e 468 215 etot -8.0772E+01 mv 2 13 70 -11 0 + -1 e 1 285 etot 1.3528E+20 mv 2 13 128 -127 0 + 4 e 321 255 etot -6.0675E+01 mv 2 13 122 -169 0 + 4 e 569 233 etot -7.9912E+01 mv 2 13 72 -176 0 c 72 37.3 0.2 + 4 e 714 216 etot -8.6410E+01 mv 2 13 192 -114 0 c 134 364.1 6.7 + 4 e 178 271 etot -5.9309E+01 mv 2 13 115 -129 0 + 4 e 343 267 etot -6.2233E+01 mv 2 13 135 -191 0 + 4 e 261 272 etot -7.5527E+01 mv 2 13 115 -70 0 + 4 e 369 268 etot -7.4687E+01 mv 2 13 135 -133 0 + 4 e 501 252 etot -7.2896E+01 mv 2 13 122 -43 0 f 84 605.5 2.8 + 4 e 425 257 etot -6.2824E+01 mv 2 13 87 -138 0 + 4 e 436 261 etot -6.9757E+01 mv 2 13 88 -110 0 + 4 e 546 250 etot -8.0881E+01 mv 2 13 4 -198 0 c 4 362.6 1.5 + 4 e 456 263 etot -7.2897E+01 mv 2 13 88 -53 0 + 4 e 474 259 etot -7.6158E+01 mv 2 13 87 -60 0 + 4 e 393 251 etot -7.9006E+01 mv 2 13 122 -158 0 + 4 e 286 281 etot -7.8224E+01 mv 2 13 128 -99 0 c 128 265.4 0.1 + 4 e 492 262 etot -7.4198E+01 mv 2 13 88 -26 0 f 97 649.1 4.1 + 4 e 376 274 etot -7.3359E+01 mv 2 13 115 -9 0 + 4 e 442 270 etot -7.1514E+01 mv 2 13 135 -74 0 + 4 e 248 289 etot -5.6859E+01 mv 2 13 76 -156 0 + 4 e 266 275 etot -7.8715E+01 mv 2 13 115 -135 0 + -1 e 1 307 etot 1.3528E+20 mv 1 13 108 -192 0 + 4 e 393 276 etot -6.9487E+01 mv 2 13 188 -9 0 + 4 e 234 292 etot -6.1651E+01 mv 2 13 160 -167 0 + 4 e 612 256 etot -7.8569E+01 mv 2 13 87 -25 0 + 4 e 357 282 etot -6.7912E+01 mv 2 13 128 -17 0 + 4 e 290 290 etot -6.6132E+01 mv 2 13 76 -68 0 + 4 e 317 278 etot -4.9968E+01 mv 2 13 188 -119 0 + -1 e 1 314 etot 1.3528E+20 mv 1 13 70 -28 0 + 4 e 320 277 etot -6.5200E+01 mv 2 13 188 -193 0 + 4 e 217 291 etot -7.8217E+01 mv 2 13 160 -195 0 + 4 e 492 279 etot -6.1442E+01 mv 2 13 188 -32 0 + 4 e 455 265 etot -7.0535E+01 mv 2 13 88 -11 0 c 138 419.9 0.4 + 4 e 266 297 etot -6.0399E+01 mv 2 13 57 -53 0 + 4 e 219 300 etot -7.8934E+01 mv 2 13 57 -82 0 + 4 e 412 273 etot -6.6627E+01 mv 2 13 115 -181 0 + -1 e 1 322 etot 1.3528E+20 mv 1 13 24 -198 0 + 4 e 418 288 etot -5.6046E+01 mv 2 13 76 -90 0 + 4 e 431 284 etot -6.9439E+01 mv 2 13 128 -77 0 + 4 e 270 298 etot -7.9071E+01 mv 2 13 57 -149 0 + 4 e 195 310 etot -7.8759E+01 mv 1 13 108 -82 0 + 4 e 564 283 etot -7.0423E+01 mv 2 13 128 -45 0 + 4 e 208 311 etot -8.1304E+01 mv 1 13 70 -54 0 + 4 e 198 313 etot -7.2556E+01 mv 1 13 70 -106 0 + -1 e 1 329 etot 1.3528E+20 mv 1 13 1 -17 0 + 4 e 368 286 etot -6.9966E+01 mv 2 13 76 -190 0 + 4 e 266 306 etot -7.9601E+01 mv 1 13 108 -49 0 + 4 e 549 287 etot -6.8969E+01 mv 2 13 76 -75 0 + 4 e 235 301 etot -8.4507E+01 mv 1 13 104 -67 0 + 4 e 297 305 etot -7.2634E+01 mv 1 13 104 -118 0 + 4 e 146 320 etot -6.3856E+01 mv 1 13 192 -30 0 + 4 e 272 309 etot -5.9609E+01 mv 1 13 108 -22 0 + 4 e 496 293 etot -5.8616E+01 mv 2 13 160 -5 0 + -1 e 1 339 etot 1.3528E+20 mv 1 13 49 -15 0 + 4 e 268 312 etot -6.0096E+01 mv 1 13 70 -183 0 + -1 e 1 341 etot 1.3528E+20 mv 1 13 174 -91 0 + -1 e 1 342 etot 1.3528E+20 mv 1 13 174 -23 0 + 4 e 181 321 etot -8.1663E+01 mv 1 13 24 -8 0 + 4 e 450 295 etot -5.9056E+01 mv 2 13 160 -45 0 + 4 e 372 304 etot -8.0847E+01 mv 1 13 104 -155 0 + 4 e 422 302 etot -8.7626E+01 mv 1 13 104 -136 0 + 4 e 210 325 etot -8.1663E+01 mv 1 13 24 -117 0 + 4 e 428 303 etot -8.1288E+01 mv 1 13 104 -134 0 + 4 e 501 296 etot -7.9368E+01 mv 2 13 57 -126 0 + -1 e 1 348 etot 1.3528E+20 mv 1 13 4 -191 0 + 4 e 512 294 etot -7.8153E+01 mv 2 13 160 -106 0 + 4 e 144 328 etot -7.6891E+01 mv 1 13 1 -155 0 f 103 557.1 6.7 + 4 e 248 326 etot -6.6535E+01 mv 1 13 1 -62 0 + 4 e 284 324 etot -7.8856E+01 mv 1 13 24 -82 0 + 4 e 251 319 etot -8.1190E+01 mv 1 13 192 -79 0 + 4 e 213 340 etot -7.9258E+01 mv 1 13 49 -178 0 + 4 e 249 338 etot -6.6881E+01 mv 1 13 49 -120 0 + -1 e 1 358 etot 1.3528E+20 mv 1 13 87 -192 0 + 4 e 427 318 etot -7.5545E+01 mv 1 13 192 -54 0 + 4 e 316 331 etot -7.9678E+01 mv 1 13 72 -83 0 + 4 e 191 350 etot -7.2375E+01 mv 1 13 4 -167 0 + 4 e 673 299 etot -7.0044E+01 mv 2 13 57 -186 0 + -1 e 1 362 etot 1.3528E+20 mv 1 13 88 -115 0 + 4 e 214 335 etot -7.9914E+01 mv 1 13 72 -2 0 c 72 3.2 0.0 + 4 e 267 345 etot -8.6222E+01 mv 1 13 174 -145 0 + 4 e 233 349 etot -7.9382E+01 mv 1 13 4 -49 0 + 4 e 351 334 etot -7.7072E+01 mv 1 13 72 -52 0 + 4 e 362 336 etot -7.9257E+01 mv 1 13 49 -43 0 + 4 e 377 316 etot -8.0902E+01 mv 1 13 192 -198 0 + 4 e 288 346 etot -7.7398E+01 mv 1 13 4 -53 0 + 4 e 370 337 etot -7.1816E+01 mv 1 13 49 -39 0 + 4 e 206 355 etot -7.9006E+01 mv 1 13 122 -158 0 c 122 2.5 0.0 + 4 e 273 351 etot -7.7911E+01 mv 1 13 122 -80 0 + 4 e 437 327 etot -7.4429E+01 mv 1 13 1 -96 0 f 31 568.3 4.2 + 4 e 325 344 etot -7.5692E+01 mv 1 13 174 -157 0 + -1 e 1 374 etot 1.3528E+20 mv 1 13 115 -174 0 + 4 e 387 333 etot -7.7821E+01 mv 1 13 72 -49 0 + 4 e 349 347 etot -7.9173E+01 mv 1 13 4 -49 0 + 4 e 452 330 etot -6.7277E+01 mv 1 13 1 -177 0 + 4 e 336 352 etot -5.2446E+01 mv 1 13 122 -72 0 + 4 e 329 354 etot -7.8632E+01 mv 1 13 122 -155 0 + -1 e 1 382 etot 1.3528E+20 mv 1 13 128 -174 0 + 4 e 413 323 etot -8.1400E+01 mv 1 13 24 -37 0 + 4 e 157 369 etot -6.2456E+01 mv 1 13 135 -59 0 + 8 e 24 385 etot -6.3990E+01 mv 1 13 128 -160 0 + 4 e 208 367 etot -6.0953E+01 mv 1 13 135 -131 0 + 4 e 115 381 etot -7.8171E+01 mv 1 13 128 -195 0 + 8 e 163 377 etot -6.3990E+01 mv 1 13 188 -150 0 + 4 e 524 315 etot -8.1701E+01 mv 1 13 70 -7 0 + 4 e 416 332 etot -7.0777E+01 mv 1 13 72 -65 0 + 4 e 185 375 etot -7.8716E+01 mv 1 13 115 -135 0 + 4 e 242 366 etot -8.1861E+01 mv 1 13 135 -108 0 + 4 e 453 353 etot -7.8858E+01 mv 1 13 122 -18 0 + 4 e 211 371 etot -7.8716E+01 mv 1 13 115 -79 0 + 4 e 205 376 etot -7.8807E+01 mv 1 13 188 -183 0 + 4 e 255 356 etot -7.8940E+01 mv 1 13 87 -165 0 + 4 e 536 317 etot -7.4946E+01 mv 1 13 192 -57 0 + 4 e 263 372 etot -6.5129E+01 mv 1 13 115 -125 0 + 4 e 267 378 etot -7.1514E+01 mv 1 13 188 -137 0 + 4 e 204 370 etot -8.1455E+01 mv 1 13 135 -125 0 + 4 e 625 343 etot -7.1974E+01 mv 1 13 174 -181 0 f 195 586.3 1.8 + 4 e 422 359 etot -7.9259E+01 mv 1 13 87 -88 0 f 110 573.2 9.0 + 4 e 227 383 etot -6.7836E+01 mv 1 13 128 -166 0 + 4 e 415 363 etot -7.7932E+01 mv 1 13 88 -163 0 + 4 e 485 357 etot -7.6570E+01 mv 1 13 87 -173 0 + 4 e 60 403 etot -8.1304E+01 mv 0 13 70 0 0 + 4 e 172 392 etot -7.1755E+01 mv 1 13 160 -21 0 f 138 664.3 1.2 + 4 e 418 368 etot -6.3483E+01 mv 1 13 135 -170 0 + 4 e 209 389 etot -7.7504E+01 mv 1 13 76 -28 0 + 4 e 472 361 etot -7.4318E+01 mv 1 13 88 -146 0 + 4 e 105 402 etot -8.0936E+01 mv 0 13 108 0 0 c 108 1.8 0.0 + 4 e 476 364 etot -7.9497E+01 mv 1 13 88 -18 0 c 88 59.3 1.1 + 4 e 732 308 etot -7.9576E+01 mv 1 13 108 -129 0 + 4 e 93 405 etot -8.1663E+01 mv 0 13 24 0 0 + 4 e 395 380 etot -7.4164E+01 mv 1 13 188 -151 0 + 4 e 65 409 etot -8.6223E+01 mv 0 13 174 0 0 c 174 0.6 0.0 + 4 e 115 406 etot -8.2050E+01 mv 0 13 1 0 0 + 4 e 94 408 etot -7.9258E+01 mv 0 13 49 0 0 c 49 1.3 0.0 + 4 e 73 412 etot -7.8940E+01 mv 0 13 87 0 0 c 87 0.5 0.0 +## N0 total= 24 close= 8 far= 0 %acc 33.3 +## N1 total= 96 close= 4 far= 5 %acc 9.4 +## N2 total= 100 close= 9 far= 3 %acc 12.0 +## N3 total= 0 close= 0 far= 0 %acc 0.0 +## N4 total= 0 close= 0 far= 0 %acc 0.0 +## N5 total= 0 close= 0 far= 0 %acc 0.0 +## N6 total= 200 close= 43 far= 15 %acc 29.0 +## N7 total= 0 close= 0 far= 0 %acc 0.0 +## N8 total= 0 close= 0 far= 0 %acc 0.0 +## N9 total= 0 close= 0 far= 0 %acc 0.0 +##N10 total= 0 close= 0 far= 0 %acc 0.0 +##N11 total= 0 close= 0 far= 0 %acc 0.0 +##N12 total= 0 close= 0 far= 0 %acc 0.0 +##N13 total= 0 close= 0 far= 0 %acc 0.0 +##N14 total= 0 close= 0 far= 0 %acc 0.0 +##N15 total= 0 close= 0 far= 0 %acc 0.0 +##N16 total= 0 close= 0 far= 0 %acc 0.0 +##N17 total= 0 close= 0 far= 0 %acc 0.0 +##N18 total= 0 close= 0 far= 0 %acc 0.0 + Time for refresh 14 0.29 + make_var : nseed= 20 ntry= 420 + Time for make trial 15 0.04 +Nonsetup time 32.32 sec, Eval/s = 61790.06 +Time for iter 15 1.86 sec, Eval/s = 71350.16 + UPDATING 420 + 4 e 417 387 etot -7.0230E+01 mv 1 13 76 -109 0 + 4 e 122 420 etot -7.9370E+01 mv 0 13 57 0 0 + 4 e 205 404 etot -8.1191E+01 mv 0 13 192 0 0 + 4 e 106 411 etot -7.9007E+01 mv 0 13 122 0 0 c 122 0.9 0.0 + 4 e 518 379 etot -7.6413E+01 mv 1 13 188 -135 0 + 4 e 101 416 etot -7.8434E+01 mv 0 13 188 0 0 + 4 e 318 393 etot -8.0534E+01 mv 1 13 160 -178 0 c 160 220.5 0.1 + 4 e 653 373 etot -6.9698E+01 mv 1 13 115 -18 0 + -1 e 1 1 etot 1.3528E+20 mv 6 14 61 135 0 + 4 e 94 413 etot -7.8276E+01 mv 0 13 88 0 0 + 4 e 130 407 etot -7.9678E+01 mv 0 13 72 0 0 + 4 e 326 388 etot -6.5426E+01 mv 1 13 76 -164 0 + 4 e 134 418 etot -7.7504E+01 mv 0 13 76 0 0 + 4 e 548 394 etot -7.7645E+01 mv 1 13 160 -131 0 + 4 e 147 415 etot -7.8716E+01 mv 0 13 115 0 0 + 4 e 255 400 etot -6.5066E+01 mv 1 13 57 -25 0 + 4 e 562 395 etot -7.8724E+01 mv 1 13 160 -42 0 + 4 e 93 417 etot -7.8171E+01 mv 0 13 128 0 0 + 4 e 106 419 etot -7.8217E+01 mv 0 13 160 0 0 + 4 e 278 396 etot -6.7386E+01 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-5.9431E+01 mv 1 14 128 -70 0 + 4 e 415 364 etot -7.6120E+01 mv 1 14 86 -146 0 + 4 e 424 362 etot -7.2657E+01 mv 1 14 86 -19 0 + -1 e 1 396 etot 1.3528E+20 mv 1 14 188 -122 0 + 4 e 261 377 etot -6.4989E+01 mv 1 14 76 -90 0 + 4 e 272 379 etot -6.9379E+01 mv 1 14 76 -175 0 + 4 e 234 385 etot -8.4970E+01 mv 1 14 134 -161 0 + 4 e 275 366 etot -7.8287E+01 mv 1 14 128 -93 0 c 46 59.4 0.1 + 4 e 155 390 etot -7.9261E+01 mv 1 14 110 -152 0 + 4 e 620 354 etot -8.0893E+01 mv 1 14 117 -187 0 + 4 e 649 350 etot -8.0039E+01 mv 1 14 72 -180 0 c 72 267.5 0.1 + 4 e 557 363 etot -6.7597E+01 mv 1 14 86 -33 0 + 4 e 319 384 etot -8.6411E+01 mv 1 14 134 -178 0 c 134 2.0 0.0 + 4 e 77 403 etot -8.2831E+01 mv 0 14 8 0 0 + 4 e 423 372 etot -7.7480E+01 mv 1 14 23 -182 0 + 4 e 244 391 etot -7.9590E+01 mv 1 14 109 -10 0 + 4 e 278 387 etot -5.5467E+01 mv 1 14 110 -127 0 + 4 e 142 401 etot -7.8300E+01 mv 0 14 61 0 0 + 4 e 469 368 etot -7.8223E+01 mv 1 14 128 -88 0 + 4 e 107 402 etot -8.3764E+01 mv 0 14 136 0 0 c 136 1.1 0.0 + 4 e 288 388 etot -7.9961E+01 mv 1 14 110 -86 0 + 4 e 513 369 etot -7.0896E+01 mv 1 14 128 -144 0 + 4 e 240 393 etot -8.1708E+01 mv 1 14 109 -20 0 + 4 e 282 382 etot -7.2565E+01 mv 1 14 134 -43 0 f 63 528.5 1.2 + 4 e 485 374 etot -7.9575E+01 mv 1 14 23 -37 0 f 13 577.8 8.1 + 4 e 232 397 etot -7.9441E+01 mv 1 14 188 -69 0 +## N0 total= 16 close= 3 far= 0 %acc 18.8 +## N1 total= 104 close= 13 far= 4 %acc 16.3 +## N2 total= 100 close= 8 far= 3 %acc 11.0 +## N3 total= 0 close= 0 far= 0 %acc 0.0 +## N4 total= 0 close= 0 far= 0 %acc 0.0 +## N5 total= 0 close= 0 far= 0 %acc 0.0 +## N6 total= 200 close= 33 far= 12 %acc 22.5 +## N7 total= 0 close= 0 far= 0 %acc 0.0 +## N8 total= 0 close= 0 far= 0 %acc 0.0 +## N9 total= 0 close= 0 far= 0 %acc 0.0 +##N10 total= 0 close= 0 far= 0 %acc 0.0 +##N11 total= 0 close= 0 far= 0 %acc 0.0 +##N12 total= 0 close= 0 far= 0 %acc 0.0 +##N13 total= 0 close= 0 far= 0 %acc 0.0 +##N14 total= 0 close= 0 far= 0 %acc 0.0 +##N15 total= 0 close= 0 far= 0 %acc 0.0 +##N16 total= 0 close= 0 far= 0 %acc 0.0 +##N17 total= 0 close= 0 far= 0 %acc 0.0 +##N18 total= 0 close= 0 far= 0 %acc 0.0 + Time for refresh 15 0.70 + make_var : nseed= 20 ntry= 420 + Time for make trial 16 0.07 +Nonsetup time 34.57 sec, Eval/s = 61381.91 +Time for iter 16 2.25 sec, Eval/s = 55508.81 + UPDATING 420 + 4 e 155 409 etot -8.0393E+01 mv 0 14 160 0 0 + 4 e 120 407 etot -8.1765E+01 mv 0 14 115 0 0 + 4 e 60 413 etot -7.8450E+01 mv 0 14 86 0 0 c 86 0.6 0.0 + 4 e 123 411 etot -8.6549E+01 mv 0 14 117 0 0 c 117 0.4 0.0 + 4 e 133 415 etot -8.5695E+01 mv 0 14 23 0 0 + 4 e 128 412 etot -7.9499E+01 mv 0 14 88 0 0 c 88 0.8 0.0 + 4 e 511 399 etot -7.1624E+01 mv 1 14 188 -50 0 + 4 e 590 375 etot -8.1450E+01 mv 1 14 23 -96 0 + -1 e 1 1 etot 1.3528E+20 mv 6 15 68 62 0 + 4 e 109 406 etot -8.0309E+01 mv 0 14 198 0 0 + -1 e 1 2 etot 1.3528E+20 mv 6 15 68 166 0 + 4 e 80 416 etot -7.8064E+01 mv 0 14 76 0 0 c 76 1.0 0.0 + 4 e 115 405 etot -8.0781E+01 mv 0 14 145 0 0 c 74 270.0 1.4 + 4 e 198 419 etot -7.9507E+01 mv 0 14 109 0 0 + 4 e 669 365 etot -6.6273E+01 mv 1 14 86 -190 0 + 4 e 568 383 etot -7.7579E+01 mv 1 14 134 -121 0 + 4 e 104 408 etot -8.1273E+01 mv 0 14 119 0 0 + 4 e 542 378 etot -7.1528E+01 mv 1 14 76 -30 0 f 45 496.8 0.0 + 4 e 98 420 etot -7.9793E+01 mv 0 14 188 0 0 c 188 1.9 0.0 + 4 e 125 417 etot -8.6412E+01 mv 0 14 134 0 0 c 134 1.5 0.0 + 4 e 430 392 etot -6.6817E+01 mv 1 14 109 -141 0 + 4 e 175 404 etot -8.5149E+01 mv 0 14 70 0 0 c 70 1.6 0.0 + 4 e 434 400 etot -8.0473E+01 mv 1 14 188 -139 0 c 188 25.4 0.7 + -1 e 1 15 etot 1.3528E+20 mv 6 15 132 84 0 + -1 e 1 16 etot 1.3528E+20 mv 6 15 132 22 0 + 4 e 367 398 etot -7.8924E+01 mv 1 14 188 -164 0 + 4 e 145 410 etot -7.9914E+01 mv 0 14 72 0 0 + 4 e 320 394 etot -7.9197E+01 mv 1 14 109 -146 0 + 4 e 248 395 etot -6.7088E+01 mv 1 14 109 -76 0 + 4 e 50 414 etot -7.8224E+01 mv 0 14 128 0 0 + 4 e 320 389 etot -8.0177E+01 mv 1 14 110 -106 0 + 4 e 552 386 etot -8.0438E+01 mv 1 14 110 -71 0 + 4 e 366 380 etot -7.3429E+01 mv 1 14 76 -118 0 + 4 e 156 418 etot -7.9261E+01 mv 0 14 110 0 0 + 4 e 302 381 etot -8.2398E+01 mv 1 14 134 -112 0 + -1 e 1 7 etot 1.3528E+20 mv 6 15 68 50 0 + 4 e 125 8 etot -6.6178E+01 mv 6 15 68 145 0 + 4 e 145 6 etot -6.8651E+01 mv 6 15 68 125 0 + 4 e 167 32 etot -8.0613E+01 mv 6 15 119 183 0 + 4 e 181 18 etot -8.5247E+01 mv 6 15 132 35 0 + 4 e 178 24 etot -8.5213E+01 mv 6 15 24 66 0 c 24 3.1 0.0 + 4 e 187 22 etot -7.7948E+01 mv 6 15 24 124 0 c 124 115.2 1.2 + 4 e 213 11 etot -8.5496E+01 mv 6 15 132 89 0 + 4 e 219 19 etot -6.5281E+01 mv 6 15 132 122 0 + 4 e 217 25 etot -8.5213E+01 mv 6 15 24 76 0 + 4 e 219 17 etot -8.1941E+01 mv 6 15 132 48 0 c 48 423.2 6.2 + 4 e 238 9 etot -7.2507E+01 mv 6 15 68 26 0 f 45 564.6 1.0 + 4 e 238 26 etot -8.6033E+01 mv 6 15 24 54 0 c 24 250.2 0.8 + 4 e 63 47 etot -7.5263E+01 mv 6 15 178 111 0 c 111 1.2 0.0 + 4 e 326 10 etot -7.3134E+01 mv 6 15 68 107 0 c 68 136.8 0.3 + 4 e 137 41 etot -7.6664E+01 mv 6 15 178 111 0 + 4 e 243 38 etot 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474 27 etot -7.0399E+01 mv 6 15 24 56 0 + 4 e 254 29 etot -8.3099E+01 mv 6 15 24 31 0 + 4 e 271 55 etot -8.2371E+01 mv 6 15 19 116 0 c 116 197.4 7.6 + 4 e 544 20 etot -7.6354E+01 mv 6 15 132 133 0 c 133 281.2 4.0 + 4 e 373 42 etot -7.5724E+01 mv 6 15 178 112 0 + 4 e 307 49 etot -7.8358E+01 mv 6 15 178 132 0 + 4 e 283 57 etot -6.9004E+01 mv 6 15 19 129 0 + 4 e 350 48 etot -7.2001E+01 mv 6 15 178 90 0 + -1 e 1 79 etot 1.3528E+20 mv 6 15 96 101 0 + 4 e 553 13 etot -8.0210E+01 mv 6 15 132 51 0 + 4 e 274 59 etot -6.6844E+01 mv 6 15 19 189 0 + 4 e 305 51 etot -8.0282E+01 mv 6 15 19 7 0 + -1 e 1 83 etot 1.3528E+20 mv 6 15 109 24 0 + 4 e 392 53 etot -7.2699E+01 mv 6 15 19 165 0 f 5 595.1 1.1 + 4 e 427 45 etot -8.1901E+01 mv 6 15 178 135 0 + 4 e 311 54 etot -7.5898E+01 mv 6 15 19 46 0 c 112 266.5 0.2 + 4 e 637 12 etot -7.7666E+01 mv 6 15 132 198 0 + 4 e 305 61 etot -7.9698E+01 mv 6 15 198 68 0 + -1 e 1 89 etot 1.3528E+20 mv 6 15 109 147 0 + 4 e 237 69 etot -8.0979E+01 mv 6 15 198 159 0 f 66 492.2 9.3 + 4 e 131 80 etot -6.7304E+01 mv 6 15 96 99 0 + 4 e 310 63 etot -8.0109E+01 mv 6 15 198 73 0 + 4 e 366 50 etot -7.5109E+01 mv 6 15 178 91 0 f 39 548.3 3.4 + 4 e 253 72 etot -6.3683E+01 mv 6 15 96 30 0 + 4 e 216 74 etot -7.0795E+01 mv 6 15 96 57 0 + 4 e 388 56 etot -7.2139E+01 mv 6 15 19 200 0 c 200 2.8 0.0 + 4 e 626 46 etot -7.3335E+01 mv 6 15 178 67 0 c 67 373.4 0.9 + -1 e 1 98 etot 1.3528E+20 mv 6 15 123 31 0 + 4 e 304 65 etot -8.0868E+01 mv 6 15 198 150 0 c 198 310.8 0.5 + 4 e 230 75 etot -7.9799E+01 mv 6 15 96 197 0 + 4 e 298 68 etot -8.1359E+01 mv 6 15 198 12 0 c 198 410.3 0.5 + 4 e 383 58 etot -8.0504E+01 mv 6 15 19 29 0 c 29 449.8 4.6 + 4 e 317 77 etot -7.9761E+01 mv 6 15 96 54 0 c 54 152.9 0.8 + 4 e 446 60 etot -7.9482E+01 mv 6 15 19 178 0 + 4 e 265 86 etot -7.9565E+01 mv 6 15 109 135 0 + 4 e 351 76 etot -7.0955E+01 mv 6 15 96 132 0 + 4 e 405 66 etot -7.8096E+01 mv 6 15 198 5 0 + 4 e 262 93 etot -7.2446E+01 mv 6 15 123 198 0 + 4 e 349 71 etot -7.8237E+01 mv 6 15 96 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etot 1.3528E+20 mv 6 15 78 13 0 + 4 e 145 137 etot -7.6064E+01 mv 6 15 46 9 0 c 9 4.3 0.0 + 4 e 214 133 etot -7.8287E+01 mv 6 15 46 57 0 c 46 2.4 0.0 + 4 e 264 128 etot -7.6642E+01 mv 6 15 118 198 0 f 138 511.4 4.9 + 4 e 357 115 etot -7.1588E+01 mv 6 15 13 67 0 + 4 e 290 123 etot -7.7936E+01 mv 6 15 118 133 0 + 4 e 319 120 etot -6.5510E+01 mv 6 15 13 188 0 + 4 e 580 97 etot -6.7821E+01 mv 6 15 123 73 0 + 4 e 408 112 etot -7.4749E+01 mv 6 15 13 115 0 + 4 e 165 139 etot -7.7987E+01 mv 6 15 46 94 0 + 4 e 353 118 etot -7.4580E+01 mv 6 15 13 18 0 + 4 e 247 119 etot -7.1441E+01 mv 6 15 13 7 0 + 4 e 387 73 etot -7.4568E+01 mv 6 15 96 14 0 + 4 e 178 135 etot -7.8224E+01 mv 6 15 46 79 0 + 4 e 414 102 etot -6.6277E+01 mv 6 15 74 66 0 + 4 e 88 153 etot -8.6223E+01 mv 6 15 192 174 0 c 174 0.4 0.0 + 4 e 218 142 etot -7.1507E+01 mv 6 15 78 155 0 + 4 e 330 134 etot -7.1212E+01 mv 6 15 46 197 0 + 4 e 163 141 etot -7.6474E+01 mv 6 15 78 129 0 + 4 e 114 156 etot -8.3734E+01 mv 6 15 192 152 0 c 152 1.4 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298 etot -5.1601E+01 mv 2 15 34 -172 0 + 4 e 212 309 etot -8.4390E+01 mv 1 15 132 -118 0 + 4 e 130 317 etot -6.2053E+01 mv 1 15 119 -42 0 + 4 e 197 314 etot -8.3787E+01 mv 1 15 24 -173 0 + 4 e 509 294 etot -8.1576E+01 mv 2 15 160 -55 0 + 4 e 513 293 etot -6.6941E+01 mv 2 15 160 -183 0 + 4 e 452 277 etot -7.6413E+01 mv 2 15 192 -3 0 + 4 e 513 297 etot -6.3712E+01 mv 2 15 34 -39 0 + 4 e 530 296 etot -7.1532E+01 mv 2 15 34 -182 0 + 4 e 554 289 etot -6.2980E+01 mv 2 15 105 -175 0 + 4 e 359 306 etot -7.4169E+01 mv 1 15 132 -180 0 + 4 e 190 311 etot -8.5213E+01 mv 1 15 24 -88 0 + 4 e 246 316 etot -8.1851E+01 mv 1 15 119 -41 0 + 4 e 246 320 etot -6.9805E+01 mv 1 15 119 -82 0 + 4 e 272 315 etot -8.4290E+01 mv 1 15 24 -49 0 + 4 e 343 312 etot -8.5060E+01 mv 1 15 24 -2 0 + 4 e 432 291 etot -7.6577E+01 mv 2 15 160 -91 0 + 4 e 200 326 etot -8.0578E+01 mv 1 15 19 -101 0 + 4 e 582 274 etot -7.4545E+01 mv 2 15 78 -156 0 + -1 e 1 343 etot 1.3528E+20 mv 1 15 109 -24 0 + 4 e 662 287 etot -7.3012E+01 mv 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etot 3.2906E+22 mv 1 15 118 -155 0 + 4 e 142 353 etot -6.0808E+01 mv 1 15 74 -128 0 + 4 e 765 300 etot -8.0419E+01 mv 2 15 34 -14 0 f 58 516.7 8.5 + 4 e 393 332 etot -7.3619E+01 mv 1 15 198 -159 0 + 4 e 337 339 etot -6.9625E+01 mv 1 15 96 -119 0 + 4 e 120 358 etot -6.2739E+01 mv 1 15 13 -73 0 + 4 e 337 345 etot -7.9801E+01 mv 1 15 109 -145 0 c 26 199.8 3.2 + 4 e 456 334 etot -8.0408E+01 mv 1 15 198 -60 0 + 4 e 634 321 etot -7.6309E+01 mv 1 15 178 -15 0 f 18 583.1 4.4 + 4 e 398 340 etot -8.0262E+01 mv 1 15 96 -108 0 + 4 e 451 337 etot -7.7629E+01 mv 1 15 96 -170 0 f 28 579.0 5.7 + 4 e 462 323 etot -7.3452E+01 mv 1 15 178 -114 0 + 4 e 282 354 etot -7.9358E+01 mv 1 15 74 -166 0 + 4 e 330 336 etot -8.0982E+01 mv 1 15 96 -115 0 c 96 92.7 0.1 + 4 e 547 329 etot -7.0891E+01 mv 1 15 19 -177 0 + 4 e 570 328 etot -6.2688E+01 mv 1 15 19 -125 0 + 4 e 302 355 etot -7.9358E+01 mv 1 15 74 -140 0 + 4 e 173 366 etot -7.8546E+01 mv 1 15 46 -59 0 + -1 e 1 381 etot 1.3528E+20 mv 1 15 92 -192 0 + 4 e 319 346 etot -8.4340E+01 mv 1 15 123 -106 0 + 4 e 282 360 etot -7.9577E+01 mv 1 15 13 -111 0 c 13 1.7 0.0 + 8 e 2 385 etot -6.3992E+01 mv 1 15 92 -153 0 + 4 e 776 324 etot -7.3155E+01 mv 1 15 178 -112 0 + 4 e 271 365 etot -7.9329E+01 mv 1 15 118 -41 0 c 118 1.8 0.0 + 4 e 268 368 etot -7.1807E+01 mv 1 15 46 -126 0 + 4 e 175 374 etot -5.9486E+01 mv 1 15 78 -17 0 + 4 e 501 351 etot -7.9277E+01 mv 1 15 74 -120 0 + 4 e 555 342 etot -7.9799E+01 mv 1 15 109 -154 0 + 4 e 276 370 etot -6.2506E+01 mv 1 15 46 -69 0 + -1 e 1 393 etot 1.3528E+20 mv 1 15 160 -113 0 + 4 e 186 375 etot -7.5720E+01 mv 1 15 78 -161 0 + 4 e 356 367 etot -7.5060E+01 mv 1 15 46 -146 0 c 171 345.6 1.1 + 4 e 436 341 etot -7.9799E+01 mv 1 15 109 -25 0 + 4 e 190 383 etot -6.8036E+01 mv 1 15 92 -16 0 + 4 e 413 348 etot -7.1135E+01 mv 1 15 123 -109 0 + 4 e 456 359 etot -7.7510E+01 mv 1 15 13 -83 0 + 4 e 504 356 etot -6.7544E+01 mv 1 15 13 -3 0 + 4 e 514 357 etot -6.3941E+01 mv 1 15 13 -46 0 + 4 e 553 331 etot -5.7306E+01 mv 1 15 198 -10 0 + 4 e 21 401 etot -7.2874E+01 mv 0 15 68 0 0 + 4 e 332 371 etot -7.6491E+01 mv 1 15 78 -198 0 + 4 e 400 373 etot -5.7574E+01 mv 1 15 78 -149 0 + 4 e 486 350 etot -7.2734E+01 mv 1 15 123 -153 0 + 4 e 497 369 etot -6.8129E+01 mv 1 15 46 -156 0 + 4 e 89 402 etot -8.5788E+01 mv 0 15 132 0 0 + 4 e 326 382 etot -7.4246E+01 mv 1 15 92 -58 0 + 4 e 425 372 etot -6.6214E+01 mv 1 15 78 -42 0 + 4 e 103 404 etot -8.1851E+01 mv 0 15 119 0 0 + 4 e 398 377 etot -7.5395E+01 mv 1 15 192 -65 0 + 4 e 104 405 etot -8.1530E+01 mv 0 15 178 0 0 c 178 1.0 0.0 + 4 e 210 395 etot -8.1578E+01 mv 1 15 160 -114 0 c 160 2.8 0.0 + 4 e 282 390 etot -7.7692E+01 mv 1 15 105 -152 0 + 4 e 68 410 etot -8.4327E+01 mv 0 15 123 0 0 + 4 e 109 403 etot -8.5213E+01 mv 0 15 24 0 0 + 4 e 642 361 etot -7.6543E+01 mv 1 15 118 -96 0 + 4 e 115 406 etot -8.0578E+01 mv 0 15 19 0 0 c 19 1.1 0.0 +## N0 total= 24 close= 10 far= 0 %acc 41.7 +## N1 total= 96 close= 9 far= 3 %acc 12.5 +## N2 total= 100 close= 9 far= 5 %acc 14.0 +## N3 total= 0 close= 0 far= 0 %acc 0.0 +## N4 total= 0 close= 0 far= 0 %acc 0.0 +## N5 total= 0 close= 0 far= 0 %acc 0.0 +## N6 total= 200 close= 47 far= 13 %acc 30.0 +## N7 total= 0 close= 0 far= 0 %acc 0.0 +## N8 total= 0 close= 0 far= 0 %acc 0.0 +## N9 total= 0 close= 0 far= 0 %acc 0.0 +##N10 total= 0 close= 0 far= 0 %acc 0.0 +##N11 total= 0 close= 0 far= 0 %acc 0.0 +##N12 total= 0 close= 0 far= 0 %acc 0.0 +##N13 total= 0 close= 0 far= 0 %acc 0.0 +##N14 total= 0 close= 0 far= 0 %acc 0.0 +##N15 total= 0 close= 0 far= 0 %acc 0.0 +##N16 total= 0 close= 0 far= 0 %acc 0.0 +##N17 total= 0 close= 0 far= 0 %acc 0.0 +##N18 total= 0 close= 0 far= 0 %acc 0.0 + Time for refresh 16 0.29 + make_var : nseed= 20 ntry= 420 + Time for make trial 17 0.08 +Nonsetup time 36.45 sec, Eval/s = 61806.85 +Time for iter 17 1.89 sec, Eval/s = 69592.25 + UPDATING 420 + 4 e 454 398 etot -7.0607E+01 mv 1 15 34 -188 0 + 4 e 495 391 etot -8.1576E+01 mv 1 15 160 -104 0 + 4 e 308 394 etot -8.1578E+01 mv 1 15 160 -39 0 + 4 e 135 411 etot -7.9359E+01 mv 0 15 74 0 0 + 4 e 145 412 etot -7.9578E+01 mv 0 15 13 0 0 c 13 0.4 0.0 + 4 e 650 400 etot -7.4479E+01 mv 1 15 34 -153 0 + 4 e 100 417 etot -7.7745E+01 mv 0 15 92 0 0 + 4 e 105 416 etot -8.5240E+01 mv 0 15 192 0 0 + 4 e 145 420 etot -7.7566E+01 mv 0 15 34 0 0 + 4 e 271 396 etot -7.7566E+01 mv 1 15 34 -106 0 + 4 e 543 389 etot -7.7675E+01 mv 1 15 105 -178 0 + 4 e 397 386 etot -7.7697E+01 mv 1 15 105 -39 0 + 4 e 129 408 etot -8.0264E+01 mv 0 15 96 0 0 + 4 e 443 379 etot -7.6412E+01 mv 1 15 192 -72 0 + 4 e 131 414 etot -7.8287E+01 mv 0 15 46 0 0 c 171 192.9 3.2 + 4 e 93 415 etot -7.7901E+01 mv 0 15 78 0 0 + 4 e 339 392 etot -7.0815E+01 mv 1 15 160 -2 0 + 4 e 628 380 etot -8.6651E+01 mv 1 15 192 -195 0 c 192 315.3 1.4 + 4 e 111 419 etot -8.1578E+01 mv 0 15 160 0 0 c 160 1.3 0.0 + 4 e 574 387 etot -7.3005E+01 mv 1 15 105 -67 0 + 4 e 579 388 etot -6.9484E+01 mv 1 15 105 -38 0 + -1 e 1 14 etot 1.3528E+20 mv 6 16 23 159 0 + 4 e 112 409 etot -7.9801E+01 mv 0 15 109 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-12 0 + 4 e 287 336 etot -6.8942E+01 mv 1 16 49 -166 0 + 4 e 311 334 etot -7.9279E+01 mv 1 16 29 -180 0 + 4 e 427 327 etot -7.5524E+01 mv 1 16 74 -105 0 + 4 e 151 346 etot -8.2579E+01 mv 1 16 128 -193 0 + 4 e 450 329 etot -7.7568E+01 mv 1 16 74 -4 0 + -1 e 1 364 etot 1.3528E+20 mv 1 16 1 -36 0 + 4 e 369 339 etot -6.7717E+01 mv 1 16 49 -54 0 + 4 e 370 323 etot -8.2810E+01 mv 1 16 64 -137 0 + 4 e 211 349 etot -7.9241E+01 mv 1 16 128 -107 0 + 4 e 525 324 etot -8.2810E+01 mv 1 16 64 -156 0 + 4 e 426 335 etot -8.1795E+01 mv 1 16 29 -138 0 c 29 93.8 1.3 + 4 e 243 351 etot -8.6262E+01 mv 1 16 24 -189 0 c 24 133.1 0.2 + 4 e 370 342 etot -8.2269E+01 mv 1 16 152 -102 0 + 4 e 292 345 etot -8.3392E+01 mv 1 16 152 -40 0 + 4 e 322 343 etot -7.9718E+01 mv 1 16 152 -74 0 + -1 e 1 373 etot 1.3528E+20 mv 1 16 143 -36 0 + -1 e 1 375 etot 1.3528E+20 mv 1 16 143 -159 0 + 4 e 440 321 etot -7.7563E+01 mv 1 16 64 -141 0 + 4 e 520 333 etot -6.4154E+01 mv 1 16 29 -133 0 + 4 e 216 350 etot -8.3746E+01 mv 1 16 128 -173 0 + 4 e 285 356 etot -8.2121E+01 mv 1 16 123 -80 0 + 4 e 384 344 etot -8.3733E+01 mv 1 16 152 -138 0 + 4 e 335 352 etot -7.8302E+01 mv 1 16 24 -168 0 + 4 e 352 340 etot -8.0060E+01 mv 1 16 49 -18 0 + 4 e 588 309 etot -7.8969E+01 mv 1 16 23 -188 0 + 4 e 588 337 etot -8.1455E+01 mv 1 16 49 -92 0 c 49 388.8 0.9 + 4 e 346 359 etot -6.9761E+01 mv 1 16 123 -129 0 + 4 e 210 366 etot -8.1576E+01 mv 1 16 57 -165 0 + 4 e 328 361 etot -6.8042E+01 mv 1 16 1 -181 0 + 4 e 228 369 etot -8.1576E+01 mv 1 16 57 -64 0 + 4 e 410 353 etot -8.5662E+01 mv 1 16 24 -144 0 + 4 e 467 347 etot -7.6341E+01 mv 1 16 128 -107 0 + 4 e 191 371 etot -7.8874E+01 mv 1 16 143 -53 0 + 4 e 646 311 etot -8.4154E+01 mv 1 16 124 -195 0 + -1 e 1 393 etot 1.3528E+20 mv 1 16 78 -6 0 + 4 e 386 363 etot -8.3120E+01 mv 1 16 1 -4 0 c 35 260.0 3.0 + 4 e 876 322 etot -8.1460E+01 mv 1 16 64 -25 0 + -1 e 1 396 etot 1.3528E+20 mv 1 16 166 -103 0 + 4 e 567 328 etot -6.8394E+01 mv 1 16 74 -29 0 + 4 e 391 365 etot -8.3359E+01 mv 1 16 1 -192 0 c 35 94.3 0.2 + 4 e 515 358 etot -7.4430E+01 mv 1 16 123 -191 0 f 200 624.7 1.8 + 4 e 380 357 etot -7.0409E+01 mv 1 16 123 -57 0 + 4 e 323 374 etot -6.7397E+01 mv 1 16 143 -147 0 + 4 e 517 360 etot -8.4340E+01 mv 1 16 123 -108 0 + 4 e 418 368 etot -6.9444E+01 mv 1 16 57 -78 0 + 4 e 522 362 etot -6.0768E+01 mv 1 16 1 -199 0 + 4 e 68 402 etot -8.6619E+01 mv 0 16 23 0 0 c 23 0.7 0.0 + 4 e 261 385 etot -7.6673E+01 mv 1 16 43 -30 0 + 4 e 74 401 etot -7.5583E+01 mv 0 16 144 0 0 + 4 e 243 389 etot -6.0990E+01 mv 1 16 34 -176 0 + 4 e 294 387 etot -6.4277E+01 mv 1 16 34 -118 0 + 4 e 256 379 etot -7.9785E+01 mv 1 16 72 -129 0 + 4 e 59 406 etot -8.0781E+01 mv 0 16 74 0 0 + 4 e 428 376 etot -8.0038E+01 mv 1 16 72 -100 0 + 4 e 366 381 etot -5.9483E+01 mv 1 16 43 -167 0 + 4 e 99 404 etot -8.1943E+01 mv 0 16 119 0 0 c 119 0.6 0.0 + 4 e 504 370 etot -8.2950E+01 mv 1 16 57 -55 0 c 57 210.7 1.4 + 4 e 304 390 etot -6.1815E+01 mv 1 16 34 -101 0 + 4 e 61 409 etot -8.3734E+01 mv 0 16 152 0 0 + 4 e 146 403 etot -8.4156E+01 mv 0 16 124 0 0 + 4 e 455 380 etot -8.0039E+01 mv 1 16 72 -197 0 +## N0 total= 19 close= 7 far= 0 %acc 36.8 +## N1 total= 101 close= 8 far= 1 %acc 8.9 +## N2 total= 100 close= 10 far= 5 %acc 15.0 +## N3 total= 0 close= 0 far= 0 %acc 0.0 +## N4 total= 0 close= 0 far= 0 %acc 0.0 +## N5 total= 0 close= 0 far= 0 %acc 0.0 +## N6 total= 200 close= 32 far= 15 %acc 23.5 +## N7 total= 0 close= 0 far= 0 %acc 0.0 +## N8 total= 0 close= 0 far= 0 %acc 0.0 +## N9 total= 0 close= 0 far= 0 %acc 0.0 +##N10 total= 0 close= 0 far= 0 %acc 0.0 +##N11 total= 0 close= 0 far= 0 %acc 0.0 +##N12 total= 0 close= 0 far= 0 %acc 0.0 +##N13 total= 0 close= 0 far= 0 %acc 0.0 +##N14 total= 0 close= 0 far= 0 %acc 0.0 +##N15 total= 0 close= 0 far= 0 %acc 0.0 +##N16 total= 0 close= 0 far= 0 %acc 0.0 +##N17 total= 0 close= 0 far= 0 %acc 0.0 +##N18 total= 0 close= 0 far= 0 %acc 0.0 + Time for refresh 17 0.40 + make_var : nseed= 20 ntry= 420 + Time for make trial 18 0.04 +Nonsetup time 38.41 sec, Eval/s = 62064.11 +Time for iter 18 1.96 sec, Eval/s = 66855.86 + UPDATING 420 + 4 e 511 386 etot -7.9630E+01 mv 1 16 34 -22 0 + 4 e 435 397 etot -6.8757E+01 mv 1 16 166 -146 0 + 4 e 187 405 etot -8.2810E+01 mv 0 16 64 0 0 + 4 e 114 414 etot -8.1576E+01 mv 0 16 57 0 0 + 4 e 523 378 etot -7.4822E+01 mv 1 16 72 -23 0 + 4 e 423 391 etot -7.9037E+01 mv 1 16 78 -61 0 + 4 e 124 412 etot -8.4341E+01 mv 0 16 123 0 0 + 4 e 114 420 etot -7.8205E+01 mv 0 16 166 0 0 + 4 e 427 388 etot -7.9105E+01 mv 1 16 34 -126 0 + 4 e 218 419 etot -7.9037E+01 mv 0 16 78 0 0 c 78 1.3 0.0 + 4 e 382 399 etot -7.9856E+01 mv 1 16 166 -56 0 c 166 213.1 1.7 + 4 e 108 416 etot -8.0040E+01 mv 0 16 72 0 0 c 72 1.9 0.0 + 4 e 149 407 etot -8.0505E+01 mv 0 16 29 0 0 + 4 e 95 410 etot -8.3746E+01 mv 0 16 128 0 0 + 4 e 585 372 etot -6.9509E+01 mv 1 16 143 -5 0 + 4 e 303 400 etot -7.8204E+01 mv 1 16 166 -5 0 + 4 e 316 395 etot -7.9037E+01 mv 1 16 78 -113 0 + 4 e 132 415 etot -8.0125E+01 mv 0 16 143 0 0 + 4 e 130 417 etot -7.9571E+01 mv 0 16 43 0 0 + 4 e 150 413 etot -8.3360E+01 mv 0 16 1 0 0 c 35 2.0 0.0 + 4 e 530 382 etot -6.6325E+01 mv 1 16 43 -197 0 + 4 e 337 392 etot -6.1486E+01 mv 1 16 78 -199 0 + 4 e 187 418 etot -7.9106E+01 mv 0 16 34 0 0 + 4 e 764 377 etot -8.1972E+01 mv 1 16 72 -58 0 + 4 e 487 398 etot -8.1783E+01 mv 1 16 166 -67 0 c 166 327.7 1.9 + 4 e 325 383 etot -7.5596E+01 mv 1 16 43 -52 0 + 4 e 87 411 etot -8.6033E+01 mv 0 16 24 0 0 + 4 e 492 367 etot -7.9475E+01 mv 1 16 57 -151 0 + 4 e 158 408 etot -8.0061E+01 mv 0 16 49 0 0 + 4 e 245 394 etot -6.2809E+01 mv 1 16 78 -84 0 + 4 e 331 384 etot -7.9571E+01 mv 1 16 43 -148 0 + -1 e 1 26 etot 1.3528E+20 mv 6 17 115 181 0 + -1 e 1 23 etot 1.3528E+20 mv 6 17 115 164 0 + -1 e 1 33 etot 1.3528E+20 mv 6 17 128 18 0 + 4 e 103 9 etot -8.0820E+01 mv 6 17 61 74 0 c 74 0.3 0.0 + 4 e 171 30 etot -8.0809E+01 mv 6 17 115 82 0 + 4 e 207 7 etot -7.2561E+01 mv 6 17 61 79 0 + 4 e 197 2 etot -7.9197E+01 mv 6 17 61 179 0 c 61 2.0 0.0 + 4 e 207 31 etot -8.4564E+01 mv 6 17 128 176 0 + 4 e 205 16 etot -8.3079E+01 mv 6 17 8 21 0 + 4 e 205 20 etot -8.3264E+01 mv 6 17 8 10 0 c 8 4.4 0.0 + 4 e 223 10 etot -7.5812E+01 mv 6 17 61 66 0 + -1 e 1 42 etot 1.3528E+20 mv 6 17 22 45 0 + 4 e 224 14 etot -8.2965E+01 mv 6 17 8 160 0 + 4 e 222 12 etot -8.3263E+01 mv 6 17 8 171 0 + 4 e 233 17 etot -6.6641E+01 mv 6 17 8 62 0 + 4 e 236 15 etot -8.0716E+01 mv 6 17 8 94 0 f 94 469.2 8.1 + 4 e 223 3 etot -7.9197E+01 mv 6 17 61 95 0 + 4 e 285 29 etot -8.1409E+01 mv 6 17 115 99 0 + 4 e 300 18 etot -7.9092E+01 mv 6 17 8 53 0 + 4 e 312 28 etot -8.3350E+01 mv 6 17 115 50 0 c 27 149.7 3.1 + 4 e 410 5 etot -8.0597E+01 mv 6 17 61 157 0 + 4 e 313 11 etot -8.3147E+01 mv 6 17 8 188 0 + 4 e 420 4 etot -7.3767E+01 mv 6 17 61 160 0 + 4 e 114 44 etot -8.3360E+01 mv 6 17 22 35 0 c 35 0.8 0.0 + 4 e 326 24 etot -7.0716E+01 mv 6 17 115 41 0 + 4 e 341 21 etot -7.6159E+01 mv 6 17 115 125 0 c 125 34.4 0.5 + 4 e 256 37 etot -7.4669E+01 mv 6 17 128 71 0 + 4 e 154 39 etot -8.3746E+01 mv 6 17 128 171 0 + 4 e 538 6 etot -8.3695E+01 mv 6 17 61 95 0 + 4 e 409 13 etot -8.6242E+01 mv 6 17 8 162 0 c 8 339.6 3.0 + 4 e 202 45 etot -7.6490E+01 mv 6 17 22 79 0 + -1 e 1 62 etot 1.3528E+20 mv 6 17 145 159 0 + 4 e 338 35 etot -7.2089E+01 mv 6 17 128 107 0 + -1 e 1 63 etot 1.3528E+20 mv 6 17 145 107 0 + 4 e 443 8 etot -8.0168E+01 mv 6 17 61 38 0 f 5 495.9 7.5 + 4 e 155 51 etot -7.5889E+01 mv 6 17 57 121 0 + -1 e 1 67 etot 1.3528E+20 mv 6 17 145 158 0 + 4 e 481 1 etot -8.7958E+01 mv 6 17 61 70 0 f 139 475.3 15.2 + 4 e 302 36 etot -7.9473E+01 mv 6 17 128 197 0 + 4 e 445 27 etot -8.2400E+01 mv 6 17 115 71 0 f 60 584.6 9.7 + 4 e 472 32 etot -7.8585E+01 mv 6 17 128 17 0 + 4 e 283 46 etot -8.4866E+01 mv 6 17 22 175 0 c 22 4.0 0.0 + -1 e 1 73 etot 1.3528E+20 mv 6 17 43 132 0 + 4 e 289 54 etot -8.1319E+01 mv 6 17 57 75 0 + 4 e 513 34 etot -8.5088E+01 mv 6 17 128 33 0 + 4 e 323 47 etot -7.3389E+01 mv 6 17 22 39 0 f 59 477.0 0.6 + 4 e 377 38 etot -7.6650E+01 mv 6 17 128 65 0 + 4 e 186 56 etot -7.3033E+01 mv 6 17 57 58 0 f 184 496.1 0.2 + 4 e 572 22 etot -8.8737E+01 mv 6 17 115 116 0 + 4 e 377 41 etot -8.5140E+01 mv 6 17 22 38 0 c 22 40.9 0.3 + 4 e 335 43 etot -7.8060E+01 mv 6 17 22 34 0 + 4 e 269 55 etot -6.3166E+01 mv 6 17 57 60 0 + 4 e 550 25 etot -8.0963E+01 mv 6 17 115 132 0 + 4 e 398 52 etot -7.6417E+01 mv 6 17 57 28 0 + 4 e 392 40 etot -7.8188E+01 mv 6 17 128 114 0 f 84 511.5 5.3 + 4 e 229 65 etot -7.1738E+01 mv 6 17 145 155 0 + 4 e 329 49 etot -7.2610E+01 mv 6 17 22 40 0 + 4 e 443 58 etot -7.3168E+01 mv 6 17 57 112 0 c 184 127.7 0.1 + 4 e 498 48 etot -8.4238E+01 mv 6 17 22 33 0 + 4 e 653 19 etot -7.5838E+01 mv 6 17 8 29 0 + 4 e 383 53 etot -6.5965E+01 mv 6 17 57 111 0 + 4 e 182 70 etot -6.9237E+01 mv 6 17 145 180 0 + 4 e 316 59 etot -6.9291E+01 mv 6 17 57 52 0 + 4 e 157 80 etot -6.7057E+01 mv 6 17 43 175 0 + 4 e 215 78 etot -7.6378E+01 mv 6 17 43 126 0 c 126 1.3 0.0 + 4 e 304 69 etot -8.0733E+01 mv 6 17 145 18 0 + 4 e 417 57 etot -7.7553E+01 mv 6 17 57 124 0 + 4 e 238 77 etot -7.9993E+01 mv 6 17 43 2 0 + 4 e 330 64 etot -8.2079E+01 mv 6 17 145 177 0 c 145 7.0 0.0 + 4 e 455 60 etot -7.5572E+01 mv 6 17 57 18 0 + 4 e 166 86 etot -6.8289E+01 mv 6 17 35 38 0 + 4 e 210 87 etot -8.3478E+01 mv 6 17 35 2 0 c 35 34.2 0.1 + 4 e 329 75 etot -8.1942E+01 mv 6 17 43 166 0 c 43 171.6 0.0 + 4 e 252 85 etot -7.3785E+01 mv 6 17 35 9 0 + -1 e 1 105 etot 1.3528E+20 mv 6 17 77 100 0 + 4 e 288 82 etot -7.9262E+01 mv 6 17 35 62 0 + -1 e 1 107 etot 1.3528E+20 mv 6 17 77 101 0 + 4 e 553 50 etot -7.5456E+01 mv 6 17 22 131 0 + 4 e 358 83 etot -6.9710E+01 mv 6 17 35 117 0 + -1 e 1 110 etot 1.3596E+20 mv 6 17 77 53 0 + 4 e 153 99 etot -8.2075E+01 mv 6 17 101 45 0 c 101 2.0 0.0 + 4 e 412 76 etot -8.5288E+01 mv 6 17 43 70 0 c 70 38.5 0.1 + 4 e 398 81 etot -8.2035E+01 mv 6 17 35 187 0 + 4 e 501 66 etot -6.7009E+01 mv 6 17 145 103 0 + 4 e 176 100 etot -8.3473E+01 mv 6 17 101 160 0 c 101 179.4 1.4 + -1 e 1 116 etot 1.3528E+20 mv 6 17 29 130 0 + 4 e 226 97 etot -8.0424E+01 mv 6 17 101 119 0 + 4 e 264 95 etot -7.4112E+01 mv 6 17 101 122 0 + 4 e 337 71 etot -8.1912E+01 mv 6 17 43 168 0 + 4 e 308 92 etot -7.7175E+01 mv 6 17 101 153 0 c 153 309.0 3.6 + 4 e 643 61 etot -7.8311E+01 mv 6 17 145 49 0 f 33 602.1 5.4 + -1 e 1 122 etot 1.3528E+20 mv 6 17 3 157 0 + 4 e 377 90 etot -8.5241E+01 mv 6 17 35 16 0 + 4 e 149 111 etot -8.1797E+01 mv 6 17 29 76 0 c 29 1.9 0.0 + 4 e 317 88 etot -7.3131E+01 mv 6 17 35 142 0 + 4 e 394 91 etot -8.4553E+01 mv 6 17 101 185 0 c 101 294.8 1.1 + 4 e 313 102 etot -7.3153E+01 mv 6 17 77 89 0 + -1 e 1 128 etot 1.3528E+20 mv 6 17 3 108 0 + -1 e 1 129 etot 1.3528E+20 mv 6 17 3 58 0 + 4 e 164 118 etot -6.6328E+01 mv 6 17 29 135 0 + 4 e 412 98 etot -7.6483E+01 mv 6 17 101 7 0 c 82 410.4 2.6 + 4 e 579 74 etot -7.9297E+01 mv 6 17 43 130 0 + 4 e 388 101 etot -7.5174E+01 mv 6 17 77 10 0 + 4 e 342 104 etot -7.3566E+01 mv 6 17 77 139 0 f 155 520.2 0.6 + 4 e 231 119 etot -7.7551E+01 mv 6 17 29 69 0 f 53 463.7 4.6 + 4 e 417 79 etot -8.2309E+01 mv 6 17 43 26 0 c 43 205.1 0.4 + 4 e 559 89 etot -7.4038E+01 mv 6 17 35 42 0 f 169 548.6 1.0 + 4 e 348 109 etot -7.6249E+01 mv 6 17 77 72 0 + 4 e 373 93 etot -7.9506E+01 mv 6 17 101 12 0 c 12 185.0 0.2 + 4 e 310 115 etot -7.8263E+01 mv 6 17 29 10 0 + 4 e 356 113 etot -7.5071E+01 mv 6 17 29 190 0 + 4 e 340 117 etot -7.4641E+01 mv 6 17 29 93 0 f 100 462.3 1.6 + 4 e 471 103 etot -8.2083E+01 mv 6 17 77 136 0 c 77 114.9 0.1 + 4 e 130 135 etot -6.1888E+01 mv 6 17 49 30 0 + 4 e 546 96 etot -7.8686E+01 mv 6 17 101 71 0 c 83 373.2 1.0 + 4 e 373 112 etot -7.8843E+01 mv 6 17 29 10 0 + 4 e 428 114 etot -7.4808E+01 mv 6 17 29 97 0 f 14 533.5 1.7 + 4 e 349 123 etot -6.7745E+01 mv 6 17 3 88 0 + 4 e 250 132 etot -7.8969E+01 mv 6 17 49 176 0 c 176 236.0 2.2 + 4 e 248 133 etot -8.4728E+01 mv 6 17 49 166 0 + 4 e 353 124 etot -8.3116E+01 mv 6 17 3 181 0 + 4 e 576 72 etot -8.4719E+01 mv 6 17 43 41 0 c 161 343.5 0.2 + 4 e 730 68 etot -7.4867E+01 mv 6 17 145 180 0 + 4 e 342 127 etot -8.1532E+01 mv 6 17 3 45 0 c 3 3.2 0.0 + 4 e 240 126 etot -8.1532E+01 mv 6 17 3 105 0 c 3 2.2 0.0 + 4 e 375 125 etot -7.8079E+01 mv 6 17 3 168 0 c 106 385.5 4.5 + 4 e 359 130 etot -7.4338E+01 mv 6 17 3 52 0 + 4 e 192 143 etot -8.0648E+01 mv 6 17 133 116 0 c 133 3.1 0.0 + 4 e 195 145 etot -7.5379E+01 mv 6 17 133 181 0 c 63 449.8 2.1 + 4 e 623 108 etot -7.8128E+01 mv 6 17 77 53 0 f 114 506.0 5.0 + 4 e 634 106 etot -7.7285E+01 mv 6 17 77 16 0 f 187 474.3 4.2 + 4 e 326 120 etot -7.8681E+01 mv 6 17 29 140 0 + 4 e 587 84 etot -8.4140E+01 mv 6 17 35 183 0 c 162 394.2 6.1 + 4 e 160 149 etot -7.9007E+01 mv 6 17 133 122 0 + 4 e 326 139 etot -7.7471E+01 mv 6 17 49 127 0 + 4 e 257 147 etot -7.8478E+01 mv 6 17 133 4 0 + 8 e 13 165 etot -6.3988E+01 mv 6 17 58 156 0 + 4 e 418 134 etot -6.2884E+01 mv 6 17 49 84 0 + -1 e 1 169 etot 1.3528E+20 mv 6 17 58 189 0 + 4 e 343 141 etot -6.8840E+01 mv 6 17 133 153 0 + -1 e 1 171 etot 1.3528E+20 mv 6 17 54 108 0 + 4 e 468 131 etot -7.4303E+01 mv 6 17 49 22 0 + 4 e 249 148 etot -8.4519E+01 mv 6 17 133 23 0 + -1 e 1 174 etot 1.3528E+20 mv 6 17 54 52 0 + 4 e 426 136 etot -8.1174E+01 mv 6 17 49 119 0 + -1 e 1 176 etot 1.3528E+20 mv 6 17 54 162 0 + 4 e 634 121 etot -8.0744E+01 mv 6 17 3 86 0 + 4 e 214 155 etot -8.2199E+01 mv 6 17 188 23 0 c 188 133.6 1.7 + 4 e 104 170 etot -7.6784E+01 mv 6 17 58 79 0 c 79 3.3 0.0 + 4 e 484 142 etot -7.5063E+01 mv 6 17 133 198 0 f 158 471.2 1.9 + 4 e 315 157 etot -8.0745E+01 mv 6 17 188 87 0 + 4 e 174 163 etot -8.0567E+01 mv 6 17 58 157 0 + 4 e 477 146 etot -7.9461E+01 mv 6 17 133 187 0 c 63 397.7 4.1 + 4 e 770 94 etot -8.2752E+01 mv 6 17 101 77 0 c 77 358.0 0.7 + 4 e 343 161 etot -7.2285E+01 mv 6 17 58 45 0 + 4 e 412 140 etot -7.3694E+01 mv 6 17 49 169 0 + 4 e 347 159 etot -7.8173E+01 mv 6 17 188 15 0 + 4 e 285 167 etot -6.5573E+01 mv 6 17 58 120 0 + 4 e 265 172 etot -6.7842E+01 mv 6 17 54 7 0 + 4 e 381 158 etot -7.7494E+01 mv 6 17 188 141 0 + 4 e 56 186 etot -8.2584E+01 mv 6 17 46 197 0 c 197 0.1 0.0 + 4 e 490 150 etot 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247 etot -6.3375E+01 mv 2 17 101 -168 0 + 4 e 216 258 etot -7.3638E+01 mv 2 17 29 -57 0 + 4 e 234 260 etot -6.9415E+01 mv 2 17 29 -184 0 + 4 e 303 248 etot -8.0864E+01 mv 2 17 101 -154 0 c 168 423.7 2.4 + 4 e 251 257 etot -6.0963E+01 mv 2 17 29 -5 0 + 4 e 228 249 etot -8.2051E+01 mv 2 17 101 -70 0 + 4 e 522 237 etot -6.1809E+01 mv 2 17 43 -17 0 + 4 e 625 226 etot -7.5263E+01 mv 2 17 57 -136 0 + 4 e 652 227 etot -6.3405E+01 mv 2 17 57 -129 0 + 4 e 502 244 etot -7.7661E+01 mv 2 17 35 -119 0 + 4 e 405 253 etot -7.3255E+01 mv 2 17 77 -158 0 + 4 e 720 221 etot -7.9695E+01 mv 2 17 22 -155 0 + 4 e 437 251 etot -5.5134E+01 mv 2 17 77 -182 0 + 4 e 260 262 etot -6.8687E+01 mv 2 17 3 -158 0 + 4 e 302 266 etot -7.0639E+01 mv 2 17 49 -45 0 + 4 e 320 265 etot -7.5882E+01 mv 2 17 3 -119 0 + 4 e 282 270 etot -8.0173E+01 mv 2 17 49 -83 0 + 4 e 237 273 etot -7.3957E+01 mv 2 17 133 -131 0 + 4 e 488 255 etot -7.4042E+01 mv 2 17 77 -145 0 f 141 519.6 0.7 + 4 e 703 241 etot -7.7510E+01 mv 2 17 35 -169 0 + 4 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1 17 8 -113 0 c 55 320.5 2.8 + 4 e 555 278 etot -7.4292E+01 mv 2 17 188 -27 0 + 4 e 366 290 etot -7.9803E+01 mv 2 17 54 -128 0 + 4 e 249 293 etot -7.1153E+01 mv 2 17 46 -3 0 + 4 e 341 300 etot -7.9455E+01 mv 2 17 182 -77 0 + 4 e 536 284 etot -6.1595E+01 mv 2 17 58 -57 0 + -1 e 1 335 etot 1.3528E+20 mv 1 17 145 -131 0 + 4 e 288 310 etot -7.9179E+01 mv 1 17 8 -31 0 + 4 e 265 319 etot -8.4973E+01 mv 1 17 128 -9 0 + 4 e 531 287 etot -5.9047E+01 mv 2 17 54 -17 0 + 4 e 234 313 etot -6.5064E+01 mv 1 17 115 -18 0 + 4 e 624 282 etot -7.0898E+01 mv 2 17 58 -30 0 + 4 e 243 321 etot -6.7664E+01 mv 1 17 22 -78 0 + 4 e 293 317 etot -7.9976E+01 mv 1 17 128 -38 0 + 4 e 357 311 etot -8.2513E+01 mv 1 17 115 -131 0 c 115 196.2 0.2 + 4 e 216 326 etot -8.2262E+01 mv 1 17 57 -75 0 + -1 e 1 345 etot 4.0468E+21 mv 1 17 35 -15 0 + -1 e 1 346 etot 1.3528E+20 mv 1 17 101 -76 0 + 4 e 212 320 etot -8.6118E+01 mv 1 17 128 -174 0 + 4 e 346 318 etot -7.9237E+01 mv 1 17 128 -180 0 + 4 e 422 308 etot -7.3374E+01 mv 1 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1 17 101 -125 0 + 4 e 497 353 etot -6.4212E+01 mv 1 17 77 -43 0 + -1 e 1 391 etot 1.3528E+20 mv 1 17 46 -148 0 + -1 e 1 393 etot 1.3528E+20 mv 1 17 46 -62 0 + 4 e 476 357 etot -7.8134E+01 mv 1 17 29 -187 0 + 4 e 575 328 etot -7.0109E+01 mv 1 17 57 -50 0 + 4 e 366 365 etot -8.1532E+01 mv 1 17 3 -62 0 + 4 e 554 354 etot -8.1259E+01 mv 1 17 77 -78 0 c 141 323.9 7.2 + -1 e 1 398 etot 1.3528E+20 mv 1 17 182 -186 0 + 4 e 316 375 etot -8.0648E+01 mv 1 17 133 -188 0 + 4 e 259 379 etot -7.1730E+01 mv 1 17 188 -135 0 + 4 e 487 340 etot -8.1811E+01 mv 1 17 43 -95 0 + 4 e 453 361 etot -8.1532E+01 mv 1 17 3 -120 0 + 4 e 486 348 etot -7.1864E+01 mv 1 17 101 -60 0 + 4 e 209 386 etot -7.9391E+01 mv 1 17 54 -103 0 + 4 e 473 373 etot -7.7474E+01 mv 1 17 133 -166 0 + 4 e 243 388 etot -6.0761E+01 mv 1 17 54 -164 0 + 4 e 388 364 etot -8.1623E+01 mv 1 17 3 -52 0 + 4 e 135 403 etot -8.2294E+01 mv 0 17 115 0 0 + 4 e 422 377 etot -7.1657E+01 mv 1 17 188 -57 0 + 4 e 142 401 etot -7.9197E+01 mv 0 17 61 0 0 c 61 1.0 0.0 + 4 e 221 394 etot -7.7212E+01 mv 1 17 46 -10 0 + 4 e 57 404 etot -8.6119E+01 mv 0 17 128 0 0 c 128 0.7 0.0 + 4 e 299 385 etot -7.1712E+01 mv 1 17 58 -101 0 + 4 e 690 333 etot -7.4309E+01 mv 1 17 145 -44 0 + 4 e 399 380 etot -8.0030E+01 mv 1 17 188 -153 0 + 4 e 422 363 etot -8.1783E+01 mv 1 17 3 -121 0 + 8 e 367 382 etot -6.3985E+01 mv 1 17 58 -167 0 + 4 e 276 381 etot -8.0421E+01 mv 1 17 58 -130 0 + 4 e 241 395 etot -7.8025E+01 mv 1 17 46 -14 0 +## N0 total= 17 close= 5 far= 0 %acc 29.4 +## N1 total= 103 close= 9 far= 0 %acc 8.7 +## N2 total= 100 close= 8 far= 5 %acc 13.0 +## N3 total= 0 close= 0 far= 0 %acc 0.0 +## N4 total= 0 close= 0 far= 0 %acc 0.0 +## N5 total= 0 close= 0 far= 0 %acc 0.0 +## N6 total= 200 close= 45 far= 19 %acc 32.0 +## N7 total= 0 close= 0 far= 0 %acc 0.0 +## N8 total= 0 close= 0 far= 0 %acc 0.0 +## N9 total= 0 close= 0 far= 0 %acc 0.0 +##N10 total= 0 close= 0 far= 0 %acc 0.0 +##N11 total= 0 close= 0 far= 0 %acc 0.0 +##N12 total= 0 close= 0 far= 0 %acc 0.0 +##N13 total= 0 close= 0 far= 0 %acc 0.0 +##N14 total= 0 close= 0 far= 0 %acc 0.0 +##N15 total= 0 close= 0 far= 0 %acc 0.0 +##N16 total= 0 close= 0 far= 0 %acc 0.0 +##N17 total= 0 close= 0 far= 0 %acc 0.0 +##N18 total= 0 close= 0 far= 0 %acc 0.0 + Time for refresh 18 0.27 + make_var : nseed= 20 ntry= 420 + Time for make trial 19 0.06 +Nonsetup time 40.15 sec, Eval/s = 62419.54 +Time for iter 19 1.74 sec, Eval/s = 70255.93 + UPDATING 420 + 4 e 123 420 etot -8.3445E+01 mv 0 17 182 0 0 c 182 1.6 0.0 + 4 e 462 384 etot -7.8695E+01 mv 1 17 58 -146 0 + 4 e 134 416 etot -8.0475E+01 mv 0 17 188 0 0 + 4 e 106 410 etot -8.2075E+01 mv 0 17 101 0 0 c 83 344.0 3.4 + 4 e 655 374 etot -7.7703E+01 mv 1 17 133 -161 0 + 4 e 604 392 etot -7.0638E+01 mv 1 17 46 -152 0 + 4 e 310 397 etot -7.1742E+01 mv 1 17 182 -188 0 + 4 e 560 376 etot -7.9638E+01 mv 1 17 188 -131 0 + 4 e 294 390 etot -7.8400E+01 mv 1 17 54 -196 0 + 4 e 130 412 etot -8.1797E+01 mv 0 17 29 0 0 + -1 e 1 2 etot 1.3528E+20 mv 6 18 107 85 0 + 4 e 178 411 etot -8.1967E+01 mv 0 17 77 0 0 c 141 199.8 0.7 + 4 e 180 406 etot -8.2951E+01 mv 0 17 57 0 0 c 57 3.7 0.0 + 4 e 114 409 etot -8.3360E+01 mv 0 17 35 0 0 + 4 e 102 414 etot -8.1456E+01 mv 0 17 49 0 0 + 4 e 481 399 etot -6.2817E+01 mv 1 17 182 -118 0 + 4 e 461 389 etot -6.3389E+01 mv 1 17 54 -8 0 + 4 e 88 418 etot -7.9762E+01 mv 0 17 54 0 0 + -1 e 1 10 etot 1.3528E+20 mv 6 18 107 17 0 + 4 e 208 407 etot -8.2080E+01 mv 0 17 145 0 0 + 4 e 460 383 etot -7.1327E+01 mv 1 17 58 -141 0 + 4 e 315 400 etot -8.2566E+01 mv 1 17 182 -105 0 + 4 e 503 378 etot -6.5597E+01 mv 1 17 188 -72 0 + -1 e 1 15 etot 1.3528E+20 mv 6 18 139 4 0 + 4 e 142 405 etot -8.4867E+01 mv 0 17 22 0 0 + 4 e 619 366 etot -7.5057E+01 mv 1 17 49 -13 0 + 4 e 520 372 etot -7.7774E+01 mv 1 17 133 -95 0 + 4 e 172 417 etot -8.0421E+01 mv 0 17 58 0 0 c 58 1.9 0.0 + 4 e 81 419 etot -7.9358E+01 mv 0 17 46 0 0 c 46 0.8 0.0 + 4 e 298 396 etot -8.3444E+01 mv 1 17 182 -103 0 + -1 e 1 23 etot 1.3528E+20 mv 6 18 8 200 0 + 4 e 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-121 0 c 96 69.6 0.6 + 4 e 376 373 etot -7.7663E+01 mv 1 18 96 -46 0 + 4 e 288 371 etot -6.9774E+01 mv 1 18 96 -182 0 + 4 e 121 395 etot -8.0033E+01 mv 1 18 20 -136 0 c 20 3.8 0.0 + 4 e 69 401 etot -7.5822E+01 mv 0 18 107 0 0 + 4 e 456 369 etot -8.0962E+01 mv 1 18 34 -177 0 + 4 e 352 380 etot -8.7808E+01 mv 1 18 124 -197 0 + 4 e 527 367 etot -7.4033E+01 mv 1 18 34 -119 0 + 4 e 124 391 etot -8.0032E+01 mv 1 18 20 -189 0 + 4 e 327 384 etot -6.8549E+01 mv 1 18 66 -169 0 + 4 e 580 364 etot -7.4259E+01 mv 1 18 30 -83 0 + 4 e 124 402 etot -8.7960E+01 mv 0 18 139 0 0 + 4 e 222 390 etot -7.9959E+01 mv 1 18 143 -78 0 + 4 e 104 403 etot -8.6244E+01 mv 0 18 8 0 0 + 4 e 77 405 etot -8.3350E+01 mv 0 18 27 0 0 + 4 e 118 404 etot -8.4291E+01 mv 0 18 178 0 0 c 178 1.3 0.0 +## N0 total= 22 close= 9 far= 0 %acc 40.9 +## N1 total= 98 close= 8 far= 0 %acc 8.2 +## N2 total= 100 close= 5 far= 1 %acc 6.0 +## N3 total= 0 close= 0 far= 0 %acc 0.0 +## N4 total= 0 close= 0 far= 0 %acc 0.0 +## N5 total= 0 close= 0 far= 0 %acc 0.0 +## N6 total= 200 close= 40 far= 20 %acc 30.0 +## N7 total= 0 close= 0 far= 0 %acc 0.0 +## N8 total= 0 close= 0 far= 0 %acc 0.0 +## N9 total= 0 close= 0 far= 0 %acc 0.0 +##N10 total= 0 close= 0 far= 0 %acc 0.0 +##N11 total= 0 close= 0 far= 0 %acc 0.0 +##N12 total= 0 close= 0 far= 0 %acc 0.0 +##N13 total= 0 close= 0 far= 0 %acc 0.0 +##N14 total= 0 close= 0 far= 0 %acc 0.0 +##N15 total= 0 close= 0 far= 0 %acc 0.0 +##N16 total= 0 close= 0 far= 0 %acc 0.0 +##N17 total= 0 close= 0 far= 0 %acc 0.0 +##N18 total= 0 close= 0 far= 0 %acc 0.0 + Time for refresh 19 0.73 + make_var : nseed= 20 ntry= 420 + Time for make trial 20 0.32 +Nonsetup time 43.11 sec, Eval/s = 61075.82 +Time for iter 20 2.96 sec, Eval/s = 42853.99 + UPDATING 420 + 4 e 597 372 etot -7.2950E+01 mv 1 18 96 -76 0 + 4 e 377 399 etot -6.7427E+01 mv 1 18 54 -120 0 + 4 e 102 420 etot -7.9804E+01 mv 0 18 54 0 0 c 54 1.1 0.0 + 4 e 396 389 etot -7.8238E+01 mv 1 18 143 -152 0 + 4 e 531 387 etot -7.9234E+01 mv 1 18 143 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19 84 148 0 f 156 460.8 1.9 + 4 e 224 71 etot -6.7803E+01 mv 6 19 55 30 0 + 4 e 187 75 etot -8.2965E+01 mv 6 19 55 19 0 + 4 e 278 64 etot -8.2310E+01 mv 6 19 43 185 0 c 43 1.9 0.0 + 4 e 426 44 etot -8.0526E+01 mv 6 19 84 175 0 + 4 e 161 73 etot -8.3545E+01 mv 6 19 55 81 0 c 55 10.9 0.3 + 4 e 603 36 etot -7.7915E+01 mv 6 19 1 55 0 f 93 469.6 3.4 + -1 e 1 91 etot 1.3528E+20 mv 6 19 141 146 0 + 4 e 325 57 etot -7.0971E+01 mv 6 19 152 102 0 + 4 e 508 53 etot -8.5212E+01 mv 6 19 152 28 0 c 152 378.1 0.1 + 4 e 235 76 etot -8.3527E+01 mv 6 19 55 64 0 + 4 e 455 42 etot -8.3423E+01 mv 6 19 84 37 0 + 4 e 290 62 etot -7.9462E+01 mv 6 19 43 151 0 + 4 e 207 70 etot -7.1874E+01 mv 6 19 43 173 0 + 4 e 178 79 etot -8.1888E+01 mv 6 19 55 139 0 + 4 e 293 65 etot -8.0759E+01 mv 6 19 43 23 0 + 4 e 190 77 etot -7.7073E+01 mv 6 19 55 19 0 + 4 e 472 52 etot -7.7188E+01 mv 6 19 152 28 0 f 149 427.1 2.7 + 4 e 463 49 etot -7.5857E+01 mv 6 19 84 123 0 f 173 430.7 1.3 + 4 e 263 69 etot -8.4776E+01 mv 6 19 43 123 0 + 4 e 229 83 etot -8.0386E+01 mv 6 19 145 120 0 c 120 236.7 0.7 + 4 e 193 88 etot -7.8112E+01 mv 6 19 145 24 0 + 4 e 265 85 etot -7.5827E+01 mv 6 19 145 125 0 + 4 e 143 98 etot -6.9304E+01 mv 6 19 141 121 0 + 4 e 548 66 etot -7.4456E+01 mv 6 19 43 146 0 + 4 e 275 87 etot -6.6760E+01 mv 6 19 145 146 0 + 4 e 540 58 etot -8.1870E+01 mv 6 19 152 3 0 + 4 e 291 89 etot -8.4809E+01 mv 6 19 145 25 0 + -1 e 1 112 etot 1.3528E+20 mv 6 19 188 173 0 + 4 e 477 74 etot -7.9335E+01 mv 6 19 55 181 0 f 100 465.0 4.7 + 4 e 288 90 etot -7.7784E+01 mv 6 19 145 11 0 + 4 e 605 50 etot -7.8630E+01 mv 6 19 84 53 0 + 4 e 345 93 etot -8.1696E+01 mv 6 19 141 149 0 + 4 e 330 95 etot -8.1611E+01 mv 6 19 141 184 0 + 4 e 521 78 etot -6.8763E+01 mv 6 19 55 21 0 + 4 e 436 86 etot -7.3291E+01 mv 6 19 145 51 0 + 4 e 531 80 etot -7.8050E+01 mv 6 19 55 136 0 f 164 433.3 3.4 + 4 e 222 107 etot -8.1834E+01 mv 6 19 166 134 0 c 166 62.8 0.1 + 4 e 158 114 etot -7.9546E+01 mv 6 19 188 114 0 c 114 234.7 1.4 + 4 e 431 100 etot -7.3638E+01 mv 6 19 141 1 0 + 4 e 433 97 etot -8.5277E+01 mv 6 19 141 124 0 + -1 e 1 124 etot 1.3528E+20 mv 6 19 60 99 0 + -1 e 1 126 etot 1.3528E+20 mv 6 19 60 182 0 + 4 e 447 96 etot -7.9592E+01 mv 6 19 141 179 0 + 4 e 474 92 etot -7.9333E+01 mv 6 19 141 173 0 + -1 e 1 129 etot 1.3528E+20 mv 6 19 60 22 0 + 4 e 631 81 etot -7.4438E+01 mv 6 19 145 42 0 + 4 e 491 99 etot -7.7474E+01 mv 6 19 141 49 0 f 89 512.4 2.8 + 4 e 155 119 etot -6.1753E+01 mv 6 19 188 79 0 + 4 e 363 105 etot -8.2553E+01 mv 6 19 166 43 0 c 166 268.0 0.7 + 4 e 265 111 etot -7.9400E+01 mv 6 19 188 120 0 c 40 283.0 3.0 + 4 e 495 94 etot -7.9991E+01 mv 6 19 141 117 0 + 4 e 454 103 etot -7.7944E+01 mv 6 19 166 3 0 + 4 e 453 102 etot -8.1833E+01 mv 6 19 166 184 0 + 4 e 197 117 etot -8.2491E+01 mv 6 19 188 4 0 + -1 e 1 139 etot 1.3528E+20 mv 6 19 63 107 0 + 4 e 383 106 etot -8.2084E+01 mv 6 19 166 85 0 + 4 e 312 110 etot -8.3103E+01 mv 6 19 166 20 0 + 4 e 200 120 etot -6.4333E+01 mv 6 19 188 16 0 + 4 e 203 121 etot 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0.0 + 4 e 269 143 etot -7.5666E+01 mv 6 19 36 54 0 f 67 588.3 1.0 + 4 e 665 29 etot -7.4298E+01 mv 6 19 70 51 0 + 4 e 309 141 etot -8.1567E+01 mv 6 19 36 54 0 c 36 90.0 0.2 + 4 e 404 67 etot -8.1792E+01 mv 6 19 43 134 0 + 4 e 529 118 etot -8.5881E+01 mv 6 19 188 198 0 c 1 63.7 0.5 + 4 e 364 133 etot -7.6390E+01 mv 6 19 63 64 0 + 4 e 355 82 etot -7.8766E+01 mv 6 19 145 12 0 f 38 507.4 4.0 + 4 e 468 108 etot -7.2167E+01 mv 6 19 166 131 0 + 4 e 404 134 etot -7.5969E+01 mv 6 19 63 65 0 f 14 475.2 1.2 + 4 e 660 115 etot -7.7701E+01 mv 6 19 188 141 0 + 4 e 459 116 etot -7.6605E+01 mv 6 19 188 185 0 + 4 e 297 151 etot -7.5007E+01 mv 6 19 127 45 0 c 45 424.3 0.1 + 4 e 400 145 etot -8.4109E+01 mv 6 19 36 127 0 c 36 207.4 2.5 + 4 e 377 84 etot -8.2255E+01 mv 6 19 145 7 0 c 145 4.1 0.0 + 4 e 211 150 etot -7.6289E+01 mv 6 19 36 42 0 + 4 e 301 153 etot -7.4554E+01 mv 6 19 127 131 0 + -1 e 1 179 etot 1.3528E+20 mv 6 19 180 136 0 + 4 e 266 156 etot -7.3439E+01 mv 6 19 127 151 0 + 4 e 216 160 etot -8.1152E+01 mv 6 19 127 132 0 + 4 e 387 149 etot -7.8508E+01 mv 6 19 36 144 0 + 4 e 604 127 etot -7.5882E+01 mv 6 19 60 14 0 + 4 e 405 147 etot -7.4440E+01 mv 6 19 36 142 0 + 4 e 218 163 etot -8.0716E+01 mv 6 19 94 81 0 + 4 e 341 152 etot -8.1269E+01 mv 6 19 127 193 0 c 127 60.5 0.1 + 4 e 176 172 etot -7.2782E+01 mv 6 19 180 6 0 + -1 e 1 188 etot 1.3528E+20 mv 6 19 6 194 0 + 4 e 347 155 etot -7.1529E+01 mv 6 19 127 150 0 + 4 e 625 128 etot -8.2743E+01 mv 6 19 60 104 0 c 60 130.0 0.3 + 4 e 277 157 etot -8.2331E+01 mv 6 19 127 110 0 c 127 329.4 1.1 + 4 e 323 159 etot -7.5701E+01 mv 6 19 127 82 0 f 11 430.0 0.9 + 4 e 331 161 etot -7.7859E+01 mv 6 19 94 31 0 + 4 e 370 158 etot -7.9299E+01 mv 6 19 127 123 0 f 193 432.5 4.5 + 4 e 149 180 etot -8.5289E+01 mv 6 19 180 70 0 c 70 2.3 0.0 + 4 e 238 173 etot -8.2347E+01 mv 6 19 180 157 0 c 180 83.4 0.9 + 4 e 343 166 etot -7.9149E+01 mv 6 19 94 25 0 f 190 438.0 4.3 + 4 e 349 164 etot -8.0185E+01 mv 6 19 94 183 0 + 4 e 154 183 etot -8.1370E+01 mv 6 19 6 168 0 + 4 e 237 175 etot -8.3054E+01 mv 6 19 180 25 0 + 4 e 98 193 etot -7.6079E+01 mv 6 19 120 15 0 + 4 e 416 162 etot -8.2130E+01 mv 6 19 94 95 0 + 4 e 218 182 etot -8.6619E+01 mv 6 19 6 23 0 + 4 e 318 176 etot -7.7402E+01 mv 6 19 180 31 0 + 4 e 249 190 etot -7.2148E+01 mv 6 19 6 48 0 + 4 e 254 192 etot -6.3745E+01 mv 6 19 120 33 0 + -1 e 1 207 etot 1.3528E+20 mv 2 19 24 -164 0 + 4 e 260 187 etot -7.9696E+01 mv 6 19 6 178 0 c 6 6.4 0.0 + -1 e 1 209 etot 1.3528E+20 mv 2 19 24 -164 0 + 4 e 260 174 etot -8.3631E+01 mv 6 19 180 4 0 c 4 292.6 0.2 + 4 e 504 168 etot -7.9552E+01 mv 6 19 94 151 0 + 4 e 225 165 etot -7.8605E+01 mv 6 19 94 69 0 c 69 227.2 1.4 + 4 e 230 199 etot -7.5920E+01 mv 6 19 120 92 0 + 4 e 355 186 etot -8.0384E+01 mv 6 19 6 97 0 c 6 33.8 0.7 + 4 e 243 196 etot -7.2937E+01 mv 6 19 120 62 0 + 4 e 561 169 etot -7.5138E+01 mv 6 19 94 177 0 f 80 591.5 0.3 + 4 e 220 200 etot -7.9037E+01 mv 6 19 120 78 0 + -1 e 1 217 etot 1.3528E+20 mv 2 19 1 -97 0 + -1 e 1 218 etot 1.3528E+20 mv 2 19 1 -185 0 + -1 e 1 219 etot 1.3528E+20 mv 2 19 1 -16 0 + 4 e 401 181 etot -7.9205E+01 mv 6 19 6 47 0 + 4 e 281 167 etot -8.3262E+01 mv 6 19 94 55 0 + 4 e 246 201 etot -8.4306E+01 mv 2 19 27 -53 0 c 27 2.8 0.0 + 4 e 334 178 etot -7.2093E+01 mv 6 19 180 72 0 + 4 e 448 184 etot -7.8496E+01 mv 6 19 6 134 0 + -1 e 1 226 etot 1.3528E+20 mv 2 19 152 -123 0 + 4 e 427 189 etot -7.5654E+01 mv 6 19 6 95 0 + 4 e 475 185 etot -7.6901E+01 mv 6 19 6 137 0 + 4 e 370 195 etot -7.8347E+01 mv 6 19 120 138 0 + 4 e 482 191 etot -8.3012E+01 mv 6 19 120 110 0 + 4 e 142 216 etot -8.5406E+01 mv 2 19 1 -29 0 + 4 e 241 208 etot -7.1472E+01 mv 2 19 24 -155 0 + 4 e 328 203 etot -7.5835E+01 mv 2 19 27 -190 0 f 131 482.5 0.9 + 4 e 480 171 etot -8.3580E+01 mv 6 19 180 197 0 c 197 319.4 1.0 + 4 e 423 197 etot -7.2821E+01 mv 6 19 120 119 0 + -1 e 1 236 etot 3.6368E+21 mv 2 19 55 -115 0 + 8 e 79 227 etot -6.3992E+01 mv 2 19 152 -45 0 + 4 e 279 206 etot -9.0746E+01 mv 2 19 24 -25 0 c 24 4.3 0.0 + 4 e 558 202 etot -8.0177E+01 mv 2 19 27 -8 0 + 4 e 556 204 etot -8.1255E+01 mv 2 19 27 -162 0 c 10 321.6 0.5 + 4 e 468 198 etot -7.6534E+01 mv 6 19 120 127 0 f 172 590.8 1.5 + 4 e 506 194 etot -8.0720E+01 mv 6 19 120 61 0 c 120 22.8 0.3 + 4 e 473 214 etot -8.1069E+01 mv 2 19 70 -10 0 + 4 e 328 220 etot -7.4573E+01 mv 2 19 1 -126 0 + 4 e 635 228 etot -6.3500E+01 mv 2 19 152 -102 0 + 4 e 475 212 etot -8.5258E+01 mv 2 19 70 -108 0 + 4 e 283 229 etot -7.3883E+01 mv 2 19 152 -125 0 + 4 e 319 231 etot -7.9537E+01 mv 2 19 43 -155 0 + 4 e 344 237 etot -6.9147E+01 mv 2 19 55 -146 0 + 4 e 507 232 etot -7.8283E+01 mv 2 19 43 -60 0 f 45 461.4 3.3 + 4 e 139 238 etot -6.4685E+01 mv 2 19 55 -64 0 + 4 e 630 234 etot -7.2488E+01 mv 2 19 43 -97 0 + 4 e 301 210 etot -7.8352E+01 mv 2 19 24 -116 0 + 4 e 386 215 etot -7.0728E+01 mv 2 19 70 -194 0 + 4 e 423 233 etot -7.3671E+01 mv 2 19 43 -11 0 + 4 e 503 230 etot -8.2531E+01 mv 2 19 152 -47 0 + 4 e 369 221 etot -8.0230E+01 mv 2 19 84 -101 0 + 4 e 195 222 etot -6.5845E+01 mv 2 19 84 -5 0 + 4 e 226 224 etot -8.0891E+01 mv 2 19 84 -7 0 + 4 e 449 239 etot -6.2263E+01 mv 2 19 55 -189 0 + -1 e 1 257 etot 1.3528E+20 mv 2 19 188 -35 0 + 4 e 383 205 etot -7.6488E+01 mv 2 19 27 -86 0 + 4 e 697 223 etot -6.8508E+01 mv 2 19 84 -60 0 + 4 e 623 170 etot -6.9042E+01 mv 6 19 94 187 0 + 4 e 257 213 etot -6.6186E+01 mv 2 19 70 -127 0 + 4 e 538 177 etot -7.2210E+01 mv 6 19 180 149 0 + 4 e 495 235 etot -7.9588E+01 mv 2 19 43 -183 0 + 4 e 631 154 etot -7.3132E+01 mv 6 19 127 91 0 + 4 e 402 211 etot -7.2718E+01 mv 2 19 70 -90 0 + 4 e 271 225 etot -8.5583E+01 mv 2 19 84 -16 0 c 84 110.0 1.9 + -1 e 1 268 etot 1.3528E+20 mv 2 19 63 -192 0 + -1 e 1 271 etot 1.3528E+20 mv 2 19 36 -56 0 + -1 e 1 263 etot 1.3528E+20 mv 2 19 60 -200 0 + 4 e 182 260 etot -6.6054E+01 mv 2 19 188 -143 0 + -1 e 1 275 etot 1.3528E+20 mv 2 19 36 -109 0 + 4 e 197 266 etot -6.6998E+01 mv 2 19 63 -100 0 + -1 e 1 277 etot 1.3528E+20 mv 2 19 127 -132 0 + 4 e 213 270 etot -7.1138E+01 mv 2 19 63 -153 0 + 4 e 250 255 etot -8.1834E+01 mv 2 19 166 -185 0 + 4 e 248 246 etot -8.1967E+01 mv 2 19 141 -8 0 + 4 e 262 241 etot -8.2256E+01 mv 2 19 145 -161 0 c 145 2.8 0.0 + 4 e 250 249 etot -7.2546E+01 mv 2 19 141 -68 0 + 4 e 317 243 etot -7.5482E+01 mv 2 19 145 -116 0 + 4 e 281 240 etot -8.3263E+01 mv 2 19 55 -22 0 + 4 e 299 251 etot -8.1834E+01 mv 2 19 166 -140 0 + 4 e 287 242 etot -7.3475E+01 mv 2 19 145 -70 0 + 4 e 311 269 etot -8.1344E+01 mv 2 19 63 -147 0 + 4 e 340 248 etot -7.1572E+01 mv 2 19 141 -53 0 + 4 e 353 273 etot -7.4686E+01 mv 2 19 36 -158 0 + 4 e 376 256 etot -8.4068E+01 mv 2 19 188 -85 0 + 4 e 385 265 etot -8.1740E+01 mv 2 19 60 -98 0 + 4 e 363 274 etot -7.6824E+01 mv 2 19 36 -33 0 f 158 473.8 1.8 + 4 e 414 258 etot -7.2539E+01 mv 2 19 188 -157 0 + 4 e 381 261 etot -8.0532E+01 mv 2 19 60 -182 0 + -1 e 1 294 etot 1.3528E+20 mv 2 19 6 -89 0 + 4 e 451 262 etot -6.3420E+01 mv 2 19 60 -114 0 + -1 e 1 297 etot 1.3528E+20 mv 2 19 120 -158 0 + 4 e 414 254 etot -7.7847E+01 mv 2 19 166 -173 0 + 4 e 205 284 etot -7.8919E+01 mv 2 19 94 -96 0 + 4 e 272 281 etot -7.7859E+01 mv 2 19 94 -41 0 + 4 e 471 250 etot -8.3110E+01 mv 2 19 141 -129 0 c 141 226.7 1.1 + 4 e 245 278 etot -7.3146E+01 mv 2 19 127 -152 0 + 4 e 567 244 etot -7.8132E+01 mv 2 19 145 -168 0 + 4 e 443 264 etot -7.1540E+01 mv 2 19 60 -191 0 + 4 e 222 280 etot -7.1305E+01 mv 2 19 127 -35 0 + 4 e 252 279 etot -7.8090E+01 mv 2 19 127 -187 0 f 169 476.7 3.0 + 4 e 578 245 etot -7.0861E+01 mv 2 19 145 -56 0 + -1 e 1 307 etot 1.3528E+20 mv 1 19 24 -92 0 + 4 e 488 259 etot -6.2595E+01 mv 2 19 188 -128 0 + 4 e 238 289 etot -6.7049E+01 mv 2 19 180 -124 0 + 4 e 309 283 etot -7.2115E+01 mv 2 19 94 -132 0 + 4 e 584 247 etot -7.4087E+01 mv 2 19 141 -18 0 + 4 e 332 276 etot -8.1156E+01 mv 2 19 127 -171 0 c 169 239.0 3.1 + 4 e 281 282 etot -7.2083E+01 mv 2 19 94 -153 0 + 4 e 555 272 etot -7.1937E+01 mv 2 19 36 -163 0 + 4 e 175 292 etot -7.3786E+01 mv 2 19 6 -58 0 + 4 e 181 296 etot -7.4870E+01 mv 2 19 120 -24 0 + -1 e 1 318 etot 1.3528E+20 mv 1 19 1 -175 0 + -1 e 1 319 etot 1.3528E+20 mv 1 19 1 -138 0 + 4 e 141 308 etot -7.2291E+01 mv 1 19 24 -138 0 + 4 e 598 267 etot -7.7853E+01 mv 2 19 63 -99 0 + 4 e 251 300 etot -7.7052E+01 mv 2 19 120 -71 0 + 4 e 284 301 etot -8.2730E+01 mv 1 19 27 -44 0 + 4 e 317 286 etot -7.3483E+01 mv 2 19 180 -189 0 + 4 e 346 285 etot -7.9213E+01 mv 2 19 94 -66 0 + 4 e 177 309 etot -9.0747E+01 mv 1 19 24 -1 0 c 24 1.4 0.0 + 4 e 236 315 etot -8.5289E+01 mv 1 19 70 -69 0 + 4 e 540 287 etot -6.1093E+01 mv 2 19 180 -189 0 + 4 e 459 304 etot -7.8270E+01 mv 1 19 27 -60 0 + 4 e 305 321 etot -7.0550E+01 mv 1 19 84 -11 0 + 4 e 247 311 etot -8.5289E+01 mv 1 19 70 -143 0 + 4 e 361 302 etot -7.8266E+01 mv 1 19 27 -195 0 + 4 e 153 325 etot -8.3691E+01 mv 1 19 84 -161 0 + 4 e 652 252 etot -7.0953E+01 mv 2 19 166 -48 0 + -1 e 1 329 etot 1.3528E+20 mv 1 19 152 -197 0 + 4 e 674 253 etot -8.1763E+01 mv 2 19 166 -93 0 + 4 e 318 299 etot -7.6836E+01 mv 2 19 120 -134 0 + 4 e 374 291 etot -7.2743E+01 mv 2 19 6 -136 0 + 4 e 410 298 etot -7.3218E+01 mv 2 19 120 -145 0 + 4 e 296 320 etot -8.5155E+01 mv 1 19 1 -175 0 + 4 e 289 310 etot -9.0746E+01 mv 1 19 24 -185 0 + 4 e 369 295 etot -7.8611E+01 mv 2 19 6 -82 0 + 4 e 225 317 etot -7.0909E+01 mv 1 19 1 -199 0 + 4 e 236 316 etot -8.5406E+01 mv 1 19 1 -49 0 + 4 e 354 288 etot -7.3069E+01 mv 2 19 180 -28 0 + -1 e 1 333 etot 1.3528E+20 mv 1 19 43 -35 0 + 4 e 365 303 etot -7.1185E+01 mv 1 19 27 -119 0 + 4 e 316 314 etot -8.5289E+01 mv 1 19 70 -147 0 + 4 e 231 326 etot -8.4412E+01 mv 1 19 152 -173 0 + 4 e 368 305 etot -8.2659E+01 mv 1 19 27 -62 0 + 4 e 475 312 etot -7.3034E+01 mv 1 19 70 -79 0 + -1 e 1 352 etot 1.3528E+20 mv 1 19 166 -6 0 + 4 e 194 327 etot -7.1726E+01 mv 1 19 152 -41 0 + -1 e 1 354 etot 1.3528E+20 mv 1 19 166 -80 0 + 4 e 555 306 etot -8.9600E+01 mv 1 19 24 -108 0 + 4 e 518 313 etot -7.8143E+01 mv 1 19 70 -137 0 + 4 e 160 341 etot -8.2256E+01 mv 1 19 145 -173 0 c 145 1.3 0.0 + 4 e 158 339 etot -8.3336E+01 mv 1 19 55 -47 0 + 4 e 155 340 etot -8.3264E+01 mv 1 19 55 -108 0 + 4 e 610 293 etot -6.9280E+01 mv 2 19 6 -48 0 + 4 e 182 338 etot -7.7016E+01 mv 1 19 55 -27 0 + 4 e 183 334 etot -7.2367E+01 mv 1 19 43 -70 0 + 4 e 184 336 etot -8.1189E+01 mv 1 19 55 -98 0 + 4 e 589 290 etot -7.7467E+01 mv 2 19 180 -104 0 + 4 e 359 322 etot -6.6856E+01 mv 1 19 84 -14 0 + 4 e 232 335 etot -8.2309E+01 mv 1 19 43 -89 0 + -1 e 1 367 etot 1.3528E+20 mv 1 19 63 -125 0 + 4 e 497 324 etot -8.3691E+01 mv 1 19 84 -178 0 + 4 e 257 328 etot -7.3884E+01 mv 1 19 152 -32 0 + 4 e 252 349 etot -8.1967E+01 mv 1 19 141 -140 0 + 4 e 552 323 etot -7.8518E+01 mv 1 19 84 -63 0 f 47 470.3 3.4 + 4 e 278 332 etot -8.1917E+01 mv 1 19 43 -163 0 + -1 e 1 373 etot 8.2828E+23 mv 1 19 36 -92 0 + 4 e 290 331 etot -8.2309E+01 mv 1 19 43 -101 0 + 4 e 312 330 etot -8.3765E+01 mv 1 19 152 -150 0 + 4 e 229 346 etot -8.1967E+01 mv 1 19 141 -81 0 + 4 e 292 356 etot -7.9996E+01 mv 1 19 188 -154 0 c 40 144.9 0.6 + 4 e 226 351 etot -8.1834E+01 mv 1 19 166 -83 0 + 4 e 205 361 etot -8.2403E+01 mv 1 19 60 -39 0 + 4 e 377 347 etot -6.8070E+01 mv 1 19 141 -63 0 + 4 e 139 371 etot -8.1369E+01 mv 1 19 36 -163 0 c 158 242.9 4.5 + 4 e 216 368 etot -7.3630E+01 mv 1 19 63 -23 0 + 4 e 464 342 etot -6.9853E+01 mv 1 19 145 -160 0 + 4 e 311 344 etot -8.2255E+01 mv 1 19 145 -138 0 + 4 e 477 337 etot -7.3506E+01 mv 1 19 55 -59 0 + 4 e 308 359 etot -8.4069E+01 mv 1 19 188 -148 0 c 188 1.4 0.0 + 4 e 454 350 etot -8.2254E+01 mv 1 19 141 -39 0 + 4 e 317 363 etot -7.2683E+01 mv 1 19 60 -68 0 + 4 e 342 348 etot -7.3688E+01 mv 1 19 141 -169 0 + 4 e 317 362 etot -7.3322E+01 mv 1 19 60 -30 0 + 4 e 203 376 etot -8.1156E+01 mv 1 19 127 -152 0 c 169 1.8 0.0 + 4 e 267 370 etot -8.1345E+01 mv 1 19 63 -10 0 + 4 e 398 358 etot -7.5358E+01 mv 1 19 188 -132 0 f 39 481.6 0.2 + 4 e 541 343 etot -8.2502E+01 mv 1 19 145 -65 0 c 145 59.4 0.2 + 4 e 301 369 etot -8.0095E+01 mv 1 19 63 -165 0 + 4 e 182 381 etot -8.0716E+01 mv 1 19 94 -17 0 + 4 e 232 380 etot -8.1156E+01 mv 1 19 127 -138 0 + 4 e 458 360 etot -8.4105E+01 mv 1 19 188 -124 0 c 188 27.9 0.0 + 4 e 288 365 etot -8.2402E+01 mv 1 19 60 -180 0 + 4 e 356 375 etot -8.1368E+01 mv 1 19 36 -13 0 + 4 e 549 357 etot -6.2613E+01 mv 1 19 188 -33 0 + 4 e 308 378 etot -7.8098E+01 mv 1 19 127 -50 0 + 4 e 239 377 etot -6.5386E+01 mv 1 19 127 -24 0 + 4 e 469 345 etot -8.1612E+01 mv 1 19 145 -128 0 + 4 e 458 374 etot -8.2658E+01 mv 1 19 36 -176 0 + 4 e 265 391 etot -7.8680E+01 mv 1 19 6 -164 0 + 4 e 320 384 etot -7.1630E+01 mv 1 19 94 -196 0 + 4 e 106 402 etot -9.0747E+01 mv 0 19 24 0 0 c 24 1.6 0.0 + 4 e 434 388 etot -7.6814E+01 mv 1 19 180 -122 0 + 4 e 266 393 etot -6.3648E+01 mv 1 19 6 -70 0 + 4 e 663 364 etot -6.8473E+01 mv 1 19 60 -192 0 + 4 e 598 372 etot -7.1656E+01 mv 1 19 36 -164 0 + 4 e 318 392 etot -6.4565E+01 mv 1 19 6 -16 0 + 4 e 204 401 etot -8.4306E+01 mv 0 19 27 0 0 c 27 1.1 0.0 + 4 e 435 396 etot -7.0601E+01 mv 1 19 120 -168 0 + 4 e 132 409 etot -8.2256E+01 mv 0 19 145 0 0 + 4 e 82 406 etot -8.4682E+01 mv 0 19 152 0 0 + 4 e 723 353 etot -6.7777E+01 mv 1 19 166 -93 0 + 4 e 380 397 etot -5.4547E+01 mv 1 19 120 -58 0 +## N0 total= 19 close= 8 far= 0 %acc 42.1 +## N1 total= 101 close= 10 far= 2 %acc 11.9 +## N2 total= 100 close= 7 far= 4 %acc 11.0 +## N3 total= 0 close= 0 far= 0 %acc 0.0 +## N4 total= 0 close= 0 far= 0 %acc 0.0 +## N5 total= 0 close= 0 far= 0 %acc 0.0 +## N6 total= 200 close= 40 far= 18 %acc 29.0 +## N7 total= 0 close= 0 far= 0 %acc 0.0 +## N8 total= 0 close= 0 far= 0 %acc 0.0 +## N9 total= 0 close= 0 far= 0 %acc 0.0 +##N10 total= 0 close= 0 far= 0 %acc 0.0 +##N11 total= 0 close= 0 far= 0 %acc 0.0 +##N12 total= 0 close= 0 far= 0 %acc 0.0 +##N13 total= 0 close= 0 far= 0 %acc 0.0 +##N14 total= 0 close= 0 far= 0 %acc 0.0 +##N15 total= 0 close= 0 far= 0 %acc 0.0 +##N16 total= 0 close= 0 far= 0 %acc 0.0 +##N17 total= 0 close= 0 far= 0 %acc 0.0 +##N18 total= 0 close= 0 far= 0 %acc 0.0 + Time for refresh 20 0.51 + make_var : nseed= 20 ntry= 420 + Time for make trial 21 0.04 +Nonsetup time 45.14 sec, Eval/s = 61094.97 +Time for iter 21 2.03 sec, Eval/s = 61502.15 + UPDATING 420 + 4 e 94 410 etot -8.1967E+01 mv 0 19 141 0 0 + 4 e 308 411 etot -8.1834E+01 mv 0 19 166 0 0 + 4 e 96 412 etot -8.4070E+01 mv 0 19 188 0 0 + 4 e 126 413 etot -8.2403E+01 mv 0 19 60 0 0 + 4 e 151 414 etot -8.1345E+01 mv 0 19 63 0 0 c 63 0.9 0.0 + 4 e 120 415 etot -8.1369E+01 mv 0 19 36 0 0 + 4 e 89 416 etot -8.1157E+01 mv 0 19 127 0 0 c 169 1.8 0.0 + 4 e 59 417 etot -8.0716E+01 mv 0 19 94 0 0 c 94 0.6 0.0 + 4 e 124 418 etot -8.1440E+01 mv 0 19 180 0 0 + 4 e 173 419 etot -7.9697E+01 mv 0 19 6 0 0 + 4 e 116 420 etot -7.9685E+01 mv 0 19 120 0 0 + 4 e 459 389 etot -6.8926E+01 mv 1 19 180 -31 0 + 4 e 444 383 etot -6.6570E+01 mv 1 19 94 -29 0 + 4 e 467 386 etot -7.5982E+01 mv 1 19 180 -77 0 + -1 e 1 7 etot 1.3528E+20 mv 6 20 73 108 0 + 4 e 107 407 etot -8.2310E+01 mv 0 19 43 0 0 c 43 1.0 0.0 + 4 e 149 403 etot -8.5289E+01 mv 0 19 70 0 0 + 4 e 340 387 etot -7.9211E+01 mv 1 19 180 -90 0 + 4 e 238 399 etot -7.4701E+01 mv 1 19 120 -171 0 + 4 e 617 394 etot -7.7889E+01 mv 1 19 6 -150 0 f 80 437.0 2.8 + 4 e 25 408 etot -8.3264E+01 mv 0 19 55 0 0 + 4 e 494 382 etot -7.9949E+01 mv 1 19 94 -14 0 + 4 e 411 395 etot -7.9523E+01 mv 1 19 6 -116 0 + 4 e 334 398 etot -7.3427E+01 mv 1 19 120 -40 0 + 4 e 305 379 etot -6.3241E+01 mv 1 19 127 -171 0 + 4 e 295 385 etot -8.0716E+01 mv 1 19 94 -178 0 + 4 e 421 390 etot -7.7401E+01 mv 1 19 180 -130 0 + 4 e 489 366 etot -7.6009E+01 mv 1 19 63 -120 0 + -1 e 1 21 etot 1.3528E+20 mv 6 20 97 148 0 + 4 e 142 405 etot -8.3691E+01 mv 0 19 84 0 0 + 4 e 136 404 etot -8.5406E+01 mv 0 19 1 0 0 + 4 e 516 355 etot -7.7441E+01 mv 1 19 166 -148 0 + 4 e 403 400 etot -7.3425E+01 mv 1 19 120 -57 0 + -1 e 1 28 etot 1.3528E+20 mv 6 20 97 72 0 + -1 e 1 11 etot 1.3528E+20 mv 6 20 139 2 0 + 4 e 174 4 etot -7.0357E+01 mv 6 20 73 96 0 + 4 e 212 6 etot -7.1875E+01 mv 6 20 73 93 0 + -1 e 1 37 etot 1.3528E+20 mv 6 20 161 56 0 + 4 e 212 30 etot -8.2589E+01 mv 6 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-8.9199E+01 mv 1 20 8 -183 0 + 4 e 504 342 etot -6.9466E+01 mv 1 20 60 -153 0 + 4 e 463 347 etot -7.6367E+01 mv 1 20 166 -25 0 + -1 e 1 381 etot 1.3528E+20 mv 1 20 53 -77 0 + 4 e 268 368 etot -7.5018E+01 mv 1 20 168 -124 0 + 4 e 221 370 etot -8.0690E+01 mv 1 20 168 -133 0 c 167 135.7 0.2 + 4 e 361 346 etot -7.8534E+01 mv 1 20 166 -182 0 + 4 e 339 358 etot -7.8374E+01 mv 1 20 145 -30 0 + 4 e 206 372 etot -7.7561E+01 mv 1 20 198 -176 0 f 131 490.2 1.7 + -1 e 1 387 etot 1.3528E+20 mv 1 20 6 -17 0 + 4 e 411 356 etot -8.1968E+01 mv 1 20 145 -119 0 + 4 e 491 332 etot -7.1614E+01 mv 1 20 66 -77 0 + 4 e 595 343 etot -7.3690E+01 mv 1 20 60 -165 0 + 4 e 357 365 etot -7.0077E+01 mv 1 20 95 -39 0 + 4 e 358 352 etot -7.3557E+01 mv 1 20 8 -147 0 + 4 e 355 369 etot -7.8070E+01 mv 1 20 168 -115 0 + 4 e 117 383 etot -6.0778E+01 mv 1 20 53 -85 0 + 4 e 436 359 etot -8.1125E+01 mv 1 20 145 -188 0 + 4 e 591 327 etot -7.8670E+01 mv 1 20 141 -103 0 + 4 e 164 382 etot -5.5988E+01 mv 1 20 53 -136 0 + -1 e 1 398 etot 7.1063E+22 mv 1 20 54 -80 0 + 4 e 247 377 etot -7.1009E+01 mv 1 20 169 -61 0 + 4 e 288 375 etot -7.9747E+01 mv 1 20 198 -128 0 + 4 e 157 388 etot -6.9926E+01 mv 1 20 6 -147 0 + 4 e 174 384 etot -8.0656E+01 mv 1 20 53 -142 0 + 4 e 256 379 etot -6.9998E+01 mv 1 20 169 -62 0 + 4 e 381 374 etot -8.1360E+01 mv 1 20 198 -4 0 + 4 e 255 380 etot -8.1150E+01 mv 1 20 169 -11 0 + 4 e 286 378 etot -6.6265E+01 mv 1 20 169 -171 0 + 4 e 531 364 etot -7.5642E+01 mv 1 20 95 -26 0 + 4 e 423 371 etot -8.0832E+01 mv 1 20 198 -173 0 + 4 e 363 361 etot -8.1761E+01 mv 1 20 95 -1 0 + 4 e 379 360 etot -8.2540E+01 mv 1 20 145 -106 0 c 145 24.3 0.0 + 4 e 68 402 etot -8.8359E+01 mv 0 20 139 0 0 c 139 0.6 0.0 + 4 e 597 357 etot -6.0981E+01 mv 1 20 145 -175 0 + 4 e 378 366 etot -7.9132E+01 mv 1 20 168 -171 0 + 4 e 557 367 etot -6.7110E+01 mv 1 20 168 -171 0 + 4 e 124 401 etot -7.5640E+01 mv 0 20 73 0 0 + 4 e 589 363 etot -7.8283E+01 mv 1 20 95 -80 0 + 4 e 189 385 etot -8.0656E+01 mv 1 20 53 -110 0 + 4 e 84 408 etot -8.5583E+01 mv 0 20 84 0 0 + 4 e 290 389 etot -7.5880E+01 mv 1 20 6 -190 0 +## N0 total= 19 close= 5 far= 0 %acc 26.3 +## N1 total= 101 close= 5 far= 4 %acc 8.9 +## N2 total= 100 close= 6 far= 6 %acc 12.0 +## N3 total= 0 close= 0 far= 0 %acc 0.0 +## N4 total= 0 close= 0 far= 0 %acc 0.0 +## N5 total= 0 close= 0 far= 0 %acc 0.0 +## N6 total= 200 close= 30 far= 7 %acc 18.5 +## N7 total= 0 close= 0 far= 0 %acc 0.0 +## N8 total= 0 close= 0 far= 0 %acc 0.0 +## N9 total= 0 close= 0 far= 0 %acc 0.0 +##N10 total= 0 close= 0 far= 0 %acc 0.0 +##N11 total= 0 close= 0 far= 0 %acc 0.0 +##N12 total= 0 close= 0 far= 0 %acc 0.0 +##N13 total= 0 close= 0 far= 0 %acc 0.0 +##N14 total= 0 close= 0 far= 0 %acc 0.0 +##N15 total= 0 close= 0 far= 0 %acc 0.0 +##N16 total= 0 close= 0 far= 0 %acc 0.0 +##N17 total= 0 close= 0 far= 0 %acc 0.0 +##N18 total= 0 close= 0 far= 0 %acc 0.0 + Time for refresh 21 0.27 + make_var : nseed= 20 ntry= 420 + Time for make trial 22 0.05 +Nonsetup time 46.91 sec, Eval/s = 61416.85 +Time for iter 22 1.77 sec, Eval/s = 69628.04 + UPDATING 420 + 4 e 124 404 etot -8.7082E+01 mv 0 20 161 0 0 c 161 1.6 0.0 + 4 e 294 412 etot -8.2541E+01 mv 0 20 145 0 0 c 145 2.8 0.0 + 4 e 331 395 etot -8.0361E+01 mv 1 20 44 -141 0 + 4 e 612 400 etot -7.2579E+01 mv 1 20 54 -125 0 + 4 e 518 386 etot -7.9142E+01 mv 1 20 6 -68 0 + 4 e 539 391 etot -8.0756E+01 mv 1 20 44 -172 0 c 44 129.3 0.4 + 4 e 678 373 etot -6.5193E+01 mv 1 20 198 -42 0 + 4 e 332 394 etot -7.9530E+01 mv 1 20 44 -68 0 c 50 309.6 1.4 + 4 e 113 417 etot -8.0656E+01 mv 0 20 53 0 0 + 4 e 148 419 etot -8.0361E+01 mv 0 20 44 0 0 + 4 e 361 392 etot -7.3197E+01 mv 1 20 44 -74 0 + 4 e 123 405 etot -8.4110E+01 mv 0 20 36 0 0 + 4 e 102 407 etot -8.2719E+01 mv 0 20 66 0 0 c 66 1.4 0.0 + 4 e 457 399 etot -7.5330E+01 mv 1 20 54 -53 0 + 4 e 148 403 etot -8.5320E+01 mv 0 20 97 0 0 + 4 e 130 415 etot -8.1361E+01 mv 0 20 198 0 0 + 4 e 135 420 etot -8.0184E+01 mv 0 20 54 0 0 + 4 e 635 362 etot -8.0484E+01 mv 1 20 95 -16 0 + 4 e 117 416 etot -8.1157E+01 mv 0 20 169 0 0 c 169 0.7 0.0 + 4 e 164 406 etot -8.3111E+01 mv 0 20 141 0 0 + 4 e 436 396 etot -6.5828E+01 mv 1 20 54 -96 0 + -1 e 1 11 etot 5.3680E+25 mv 6 21 4 127 0 + -1 e 1 12 etot 1.0470E+22 mv 6 21 4 184 0 + 4 e 90 413 etot -8.1762E+01 mv 0 20 95 0 0 + -1 e 1 14 etot 2.2932E+25 mv 6 21 4 157 0 + 4 e 123 409 etot -8.2746E+01 mv 0 20 60 0 0 c 60 1.3 0.0 + 4 e 132 418 etot -8.0386E+01 mv 0 20 6 0 0 c 6 1.4 0.0 + 4 e 397 393 etot -6.7423E+01 mv 1 20 44 -178 0 + -1 e 1 19 etot 1.0446E+20 mv 6 21 4 185 0 + 4 e 121 411 etot -8.9201E+01 mv 0 20 8 0 0 c 8 0.7 0.0 + 4 e 97 410 etot -8.2554E+01 mv 0 20 166 0 0 + 4 e 505 397 etot -7.0816E+01 mv 1 20 54 -9 0 + 4 e 196 390 etot -8.0595E+01 mv 1 20 6 -175 0 c 6 5.8 0.2 + 4 e 330 376 etot -8.0885E+01 mv 1 20 169 -157 0 + 4 e 90 414 etot -8.1420E+01 mv 0 20 168 0 0 c 167 45.4 0.7 + -1 e 1 27 etot 1.3528E+20 mv 6 21 1 173 0 + -1 e 1 18 etot 1.3528E+20 mv 6 21 4 175 0 + 4 e 175 5 etot -7.7769E+01 mv 6 21 172 85 0 c 85 4.8 0.0 + 4 e 168 21 etot -8.3855E+01 mv 6 21 1 160 0 c 160 197.3 2.3 + 4 e 257 7 etot -8.0830E+01 mv 6 21 172 48 0 + -1 e 1 40 etot 1.3528E+20 mv 6 21 84 62 0 + 4 e 214 10 etot -7.6535E+01 mv 6 21 172 31 0 c 172 2.1 0.0 + 4 e 253 30 etot -7.1667E+01 mv 6 21 1 54 0 + 4 e 129 38 etot -8.1157E+01 mv 6 21 84 169 0 + -1 e 1 44 etot 1.3528E+20 mv 6 21 22 163 0 + 4 e 260 35 etot -8.5012E+01 mv 6 21 84 61 0 + 4 e 288 3 etot -7.7643E+01 mv 6 21 172 1 0 c 172 302.5 1.1 + 4 e 65 41 etot -8.1941E+01 mv 6 21 22 48 0 c 48 0.2 0.0 + 4 e 335 4 etot -7.7566E+01 mv 6 21 172 199 0 f 173 487.8 1.7 + 4 e 279 20 etot -7.4325E+01 mv 6 21 4 177 0 + 4 e 267 17 etot -7.8209E+01 mv 6 21 4 10 0 + 4 e 286 31 etot -7.9518E+01 mv 6 21 84 141 0 + 4 e 281 24 etot -7.5563E+01 mv 6 21 1 43 0 + 4 e 363 6 etot -8.1846E+01 mv 6 21 172 188 0 f 102 421.9 6.0 + -1 e 1 54 etot 1.3528E+20 mv 6 21 115 47 0 + 4 e 316 23 etot -8.5882E+01 mv 6 21 1 69 0 c 1 2.5 0.0 + 4 e 298 13 etot -7.0977E+01 mv 6 21 4 54 0 + -1 e 1 57 etot 1.3528E+20 mv 6 21 115 189 0 + 4 e 317 16 etot -8.0764E+01 mv 6 21 4 120 0 c 120 19.0 0.0 + 4 e 365 1 etot -8.2498E+01 mv 6 21 172 182 0 f 200 579.5 6.6 + 4 e 97 46 etot -8.4554E+01 mv 6 21 22 101 0 c 101 1.7 0.0 + 4 e 341 37 etot -8.9366E+01 mv 6 21 84 196 0 c 84 270.3 2.4 + 4 e 369 25 etot -8.5800E+01 mv 6 21 1 70 0 + 4 e 365 8 etot -7.3690E+01 mv 6 21 172 62 0 + 4 e 366 26 etot -8.0828E+01 mv 6 21 1 48 0 + 4 e 416 15 etot -7.6851E+01 mv 6 21 4 98 0 + 4 e 176 55 etot -6.2058E+01 mv 6 21 115 148 0 + 4 e 140 51 etot -6.5344E+01 mv 6 21 115 128 0 + -1 e 1 68 etot 1.3528E+20 mv 6 21 54 83 0 + 4 e 417 33 etot -7.8461E+01 mv 6 21 84 142 0 f 112 549.5 2.6 + 4 e 439 28 etot -7.5171E+01 mv 6 21 1 173 0 + 4 e 228 42 etot -6.4023E+01 mv 6 21 22 33 0 + 4 e 463 34 etot -7.5465E+01 mv 6 21 84 175 0 + 4 e 354 45 etot -8.5140E+01 mv 6 21 22 7 0 c 22 3.3 0.0 + 4 e 487 22 etot -7.1079E+01 mv 6 21 1 72 0 + 4 e 485 32 etot -8.1484E+01 mv 6 21 84 79 0 c 79 326.6 4.7 + 4 e 502 29 etot -8.5999E+01 mv 6 21 1 37 0 c 1 32.9 0.1 + 4 e 246 47 etot -8.4867E+01 mv 6 21 22 19 0 + 4 e 322 39 etot -8.2014E+01 mv 6 21 84 115 0 c 79 313.4 0.5 + 4 e 277 59 etot -8.0636E+01 mv 6 21 115 179 0 c 179 178.7 1.8 + 4 e 235 56 etot -7.6829E+01 mv 6 21 115 102 0 f 121 411.4 0.9 + 4 e 590 2 etot -7.7732E+01 mv 6 21 172 136 0 f 51 397.7 1.8 + 4 e 544 36 etot -7.9975E+01 mv 6 21 84 57 0 + 4 e 307 62 etot -8.2874E+01 mv 6 21 54 177 0 + 4 e 228 63 etot -7.7026E+01 mv 6 21 54 18 0 c 18 29.5 0.7 + 4 e 485 48 etot -7.4360E+01 mv 6 21 22 118 0 + 4 e 120 75 etot -8.2371E+01 mv 6 21 95 116 0 c 116 1.1 0.0 + 4 e 351 53 etot -8.1269E+01 mv 6 21 115 136 0 + 4 e 525 49 etot -7.9574E+01 mv 6 21 22 40 0 + 4 e 335 67 etot -7.3398E+01 mv 6 21 54 2 0 + -1 e 1 90 etot 1.3528E+20 mv 6 21 141 167 0 + 4 e 413 50 etot -7.1807E+01 mv 6 21 22 137 0 + 4 e 282 66 etot -8.3474E+01 mv 6 21 54 53 0 + -1 e 1 93 etot 1.3528E+20 mv 6 21 181 153 0 + 4 e 220 73 etot -8.3474E+01 mv 6 21 95 192 0 + 4 e 432 43 etot -8.2101E+01 mv 6 21 22 27 0 f 14 421.3 6.1 + 4 e 695 9 etot -8.3381E+01 mv 6 21 172 184 0 c 172 154.5 5.7 + 4 e 318 64 etot -6.9735E+01 mv 6 21 54 82 0 + 4 e 302 74 etot -7.1968E+01 mv 6 21 95 50 0 + 4 e 489 58 etot -7.7369E+01 mv 6 21 115 3 0 + 4 e 276 82 etot -7.7106E+01 mv 6 21 141 171 0 + 4 e 211 85 etot -8.4228E+01 mv 6 21 141 153 0 + -1 e 1 102 etot 1.3528E+20 mv 6 21 166 89 0 + 4 e 492 60 etot -8.1745E+01 mv 6 21 115 26 0 + 4 e 451 65 etot -6.2750E+01 mv 6 21 54 5 0 + 4 e 249 77 etot -7.3799E+01 mv 6 21 95 49 0 + 4 e 340 69 etot -7.6125E+01 mv 6 21 54 31 0 + 4 e 328 81 etot -6.3887E+01 mv 6 21 141 111 0 + -1 e 1 108 etot 1.3528E+20 mv 6 21 166 165 0 + 4 e 352 70 etot -8.2882E+01 mv 6 21 54 117 0 f 41 398.9 6.9 + 4 e 263 86 etot -7.9448E+01 mv 6 21 141 115 0 + 4 e 221 88 etot -7.8207E+01 mv 6 21 141 144 0 c 144 34.2 0.3 + 4 e 507 52 etot -8.4011E+01 mv 6 21 115 108 0 + -1 e 1 113 etot 1.3528E+20 mv 6 21 168 22 0 + 4 e 115 96 etot -7.9546E+01 mv 6 21 181 114 0 c 114 1.2 0.0 + 4 e 406 79 etot -9.1867E+01 mv 6 21 95 104 0 c 104 145.9 1.2 + 4 e 215 104 etot -8.2669E+01 mv 6 21 166 9 0 c 166 3.1 0.0 + 4 e 506 78 etot -8.8553E+01 mv 6 21 95 108 0 c 86 199.8 5.1 + 4 e 282 89 etot -8.9104E+01 mv 6 21 141 104 0 + 4 e 277 99 etot -8.4797E+01 mv 6 21 181 166 0 c 181 42.2 0.0 + 4 e 371 91 etot -7.9561E+01 mv 6 21 181 57 0 f 148 440.4 3.5 + 4 e 225 98 etot -8.5060E+01 mv 6 21 181 22 0 c 181 19.7 0.3 + 4 e 444 72 etot -7.6740E+01 mv 6 21 95 191 0 f 107 404.0 0.7 + 4 e 402 87 etot -8.6453E+01 mv 6 21 141 124 0 + 4 e 173 100 etot -7.1715E+01 mv 6 21 181 105 0 + 4 e 459 80 etot -8.1280E+01 mv 6 21 95 197 0 + 4 e 478 84 etot -8.5349E+01 mv 6 21 141 162 0 + 4 e 270 92 etot -8.4771E+01 mv 6 21 181 24 0 + -1 e 1 122 etot 1.3528E+20 mv 6 21 77 91 0 + 4 e 294 83 etot -7.3451E+01 mv 6 21 141 105 0 + 4 e 395 76 etot -8.0831E+01 mv 6 21 95 109 0 f 9 404.0 4.8 + 4 e 535 61 etot -7.7044E+01 mv 6 21 54 97 0 f 62 403.2 0.9 + 4 e 158 110 etot -6.1162E+01 mv 6 21 166 28 0 + 4 e 391 94 etot -8.3706E+01 mv 6 21 181 165 0 + 4 e 177 116 etot -6.3190E+01 mv 6 21 168 36 0 + 4 e 276 105 etot -7.4230E+01 mv 6 21 166 67 0 + 4 e 323 103 etot -8.5882E+01 mv 6 21 166 1 0 + 4 e 297 106 etot -6.9507E+01 mv 6 21 166 52 0 + 4 e 327 101 etot -8.1109E+01 mv 6 21 166 56 0 + 4 e 67 124 etot -7.9499E+01 mv 6 21 77 88 0 c 88 0.2 0.0 + 4 e 81 120 etot -8.2347E+01 mv 6 21 168 180 0 c 180 0.8 0.0 + 4 e 277 112 etot -8.0302E+01 mv 6 21 168 118 0 + 4 e 288 111 etot -8.3562E+01 mv 6 21 168 41 0 c 168 2.4 0.0 + 4 e 122 127 etot -7.6594E+01 mv 6 21 77 90 0 c 90 1.3 0.0 + 4 e 567 71 etot -7.9248E+01 mv 6 21 95 131 0 + 4 e 353 95 etot -7.5750E+01 mv 6 21 181 141 0 + 4 e 88 140 etot -7.6955E+01 mv 6 21 127 75 0 c 75 1.4 0.0 + 4 e 516 97 etot -7.6367E+01 mv 6 21 181 33 0 f 125 485.3 0.2 + 4 e 232 121 etot -8.8359E+01 mv 6 21 77 139 0 + 4 e 251 125 etot -8.2226E+01 mv 6 21 77 21 0 + 4 e 278 119 etot -7.4177E+01 mv 6 21 168 27 0 + -1 e 1 151 etot 1.3528E+20 mv 6 21 55 161 0 + 4 e 517 107 etot -8.0739E+01 mv 6 21 166 69 0 + 4 e 299 118 etot -7.7703E+01 mv 6 21 168 188 0 f 21 416.2 1.5 + 4 e 212 143 etot -7.2820E+01 mv 6 21 145 119 0 + 4 e 339 115 etot -8.1961E+01 mv 6 21 168 170 0 c 170 10.3 0.3 + 4 e 304 134 etot -8.1252E+01 mv 6 21 127 166 0 f 177 487.9 5.0 + 4 e 211 144 etot -8.6103E+01 mv 6 21 145 30 0 + 4 e 329 126 etot -8.2754E+01 mv 6 21 77 63 0 c 77 3.1 0.0 + -1 e 1 158 etot 1.3528E+20 mv 6 21 55 99 0 + 4 e 226 117 etot -8.0099E+01 mv 6 21 168 172 0 + 4 e 584 109 etot -7.4459E+01 mv 6 21 166 129 0 + 4 e 303 138 etot -8.1603E+01 mv 6 21 127 117 0 + 4 e 357 136 etot -8.2969E+01 mv 6 21 127 24 0 + 4 e 374 135 etot -7.9754E+01 mv 6 21 127 50 0 + 4 e 259 148 etot -6.8790E+01 mv 6 21 145 18 0 + 4 e 126 154 etot -5.5101E+01 mv 6 21 55 63 0 + 4 e 287 131 etot -8.0647E+01 mv 6 21 127 112 0 + 4 e 340 142 etot -7.5262E+01 mv 6 21 145 51 0 + 4 e 289 147 etot -8.1577E+01 mv 6 21 145 22 0 + 4 e 454 129 etot -8.1119E+01 mv 6 21 77 135 0 + -1 e 1 171 etot 1.3528E+20 mv 6 21 154 62 0 + 4 e 326 130 etot -8.2226E+01 mv 6 21 77 118 0 + 4 e 241 145 etot -6.9858E+01 mv 6 21 145 94 0 + 4 e 504 123 etot -7.6669E+01 mv 6 21 77 125 0 + 4 e 370 133 etot -7.8118E+01 mv 6 21 127 8 0 + 4 e 375 132 etot -8.4109E+01 mv 6 21 127 158 0 + 4 e 280 152 etot -7.5633E+01 mv 6 21 55 87 0 + 4 e 256 155 etot -7.9711E+01 mv 6 21 55 26 0 + 4 e 188 165 etot -6.9503E+01 mv 6 21 157 148 0 + 4 e 532 114 etot -8.5306E+01 mv 6 21 168 87 0 + 4 e 302 146 etot -7.6074E+01 mv 6 21 145 56 0 + 4 e 520 141 etot -7.4154E+01 mv 6 21 145 195 0 + 4 e 563 137 etot -7.4529E+01 mv 6 21 127 29 0 + 4 e 254 163 etot -8.2111E+01 mv 6 21 157 145 0 + 4 e 254 161 etot -7.9446E+01 mv 6 21 157 28 0 c 28 248.1 1.8 + 4 e 262 162 etot -8.2136E+01 mv 6 21 157 69 0 c 157 3.4 0.0 + 4 e 628 128 etot -8.6617E+01 mv 6 21 77 101 0 + 4 e 344 153 etot -7.2892E+01 mv 6 21 55 140 0 + 4 e 341 157 etot -7.8925E+01 mv 6 21 55 195 0 + 4 e 548 139 etot -7.9734E+01 mv 6 21 127 50 0 + 4 e 308 167 etot -8.1575E+01 mv 6 21 157 68 0 + 4 e 143 185 etot -6.2860E+01 mv 6 21 20 65 0 + 4 e 525 150 etot -8.2377E+01 mv 6 21 145 157 0 + 4 e 432 159 etot -8.1238E+01 mv 6 21 55 15 0 + 4 e 169 187 etot -7.9885E+01 mv 6 21 20 44 0 + -1 e 1 196 etot 1.3528E+20 mv 6 21 109 149 0 + 4 e 233 178 etot -8.4376E+01 mv 6 21 154 40 0 + 4 e 476 160 etot -7.6871E+01 mv 6 21 55 194 0 + 4 e 599 149 etot -6.9298E+01 mv 6 21 145 37 0 + 4 e 370 172 etot -7.8176E+01 mv 6 21 154 126 0 + 4 e 351 175 etot -7.3487E+01 mv 6 21 154 66 0 + 4 e 230 176 etot -8.8359E+01 mv 6 21 154 139 0 + 4 e 305 180 etot -7.4670E+01 mv 6 21 154 91 0 + 4 e 303 184 etot -7.8438E+01 mv 6 21 20 50 0 + 4 e 522 164 etot -7.5646E+01 mv 6 21 157 1 0 + 4 e 482 169 etot -8.2271E+01 mv 6 21 157 198 0 c 157 194.1 0.1 + 4 e 269 190 etot -7.8210E+01 mv 6 21 20 52 0 + 4 e 147 198 etot -6.7467E+01 mv 6 21 109 111 0 + 4 e 214 193 etot -8.4724E+01 mv 6 21 109 191 0 + 4 e 254 182 etot -8.1792E+01 mv 6 21 20 144 0 c 20 2.1 0.0 + 4 e 333 189 etot -7.4550E+01 mv 6 21 20 15 0 + -1 e 1 212 etot 1.3528E+20 mv 2 21 1 -131 0 + 4 e 540 170 etot -7.8648E+01 mv 6 21 157 164 0 + 4 e 367 174 etot -7.6623E+01 mv 6 21 154 166 0 f 186 400.5 0.3 + 4 e 448 179 etot -7.8623E+01 mv 6 21 154 11 0 c 59 394.8 0.0 + 4 e 172 202 etot -5.4475E+01 mv 2 21 172 -86 0 + -1 e 1 217 etot 1.3528E+20 mv 2 21 84 -7 0 + 4 e 385 173 etot -8.2381E+01 mv 6 21 154 75 0 c 154 68.1 0.4 + 4 e 421 188 etot -7.4070E+01 mv 6 21 20 117 0 + 4 e 218 201 etot -7.6536E+01 mv 2 21 172 -168 0 + 4 e 343 191 etot -8.1112E+01 mv 6 21 109 106 0 c 109 1.9 0.0 + 4 e 338 181 etot -7.6799E+01 mv 6 21 20 183 0 + 4 e 664 166 etot -7.5740E+01 mv 6 21 157 107 0 + 4 e 168 205 etot -7.6536E+01 mv 2 21 172 -109 0 + 4 e 147 203 etot -5.4370E+01 mv 2 21 172 -33 0 + 4 e 287 199 etot -7.5618E+01 mv 6 21 109 168 0 + 4 e 201 207 etot -5.8520E+01 mv 2 21 4 -121 0 + 4 e 482 186 etot -6.9279E+01 mv 6 21 20 169 0 + 4 e 310 200 etot -7.3608E+01 mv 6 21 109 77 0 + 4 e 171 210 etot -8.6122E+01 mv 2 21 4 -108 0 c 4 3.2 0.0 + 4 e 115 216 etot -8.6996E+01 mv 2 21 84 -131 0 c 79 255.5 5.0 + -1 e 1 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0 + 4 e 269 296 etot -7.1141E+01 mv 2 21 109 -182 0 + 4 e 253 309 etot -8.6121E+01 mv 1 21 4 -81 0 + 4 e 560 285 etot -8.2908E+01 mv 2 21 157 -136 0 c 157 115.7 0.6 + 4 e 413 299 etot -8.1111E+01 mv 2 21 109 -128 0 + -1 e 1 337 etot 1.3528E+20 mv 1 21 95 -50 0 + 4 e 389 302 etot -7.3930E+01 mv 1 21 172 -83 0 + 4 e 218 311 etot -8.5036E+01 mv 1 21 1 -110 0 + 4 e 269 318 etot -7.2666E+01 mv 1 21 84 -140 0 + 4 e 480 297 etot -7.2199E+01 mv 2 21 109 -132 0 + 4 e 573 288 etot -7.7207E+01 mv 2 21 154 -51 0 + -1 e 1 342 etot 1.3528E+20 mv 1 21 141 -36 0 + -1 e 1 343 etot 2.4333E+30 mv 1 21 141 -38 0 + 4 e 280 317 etot -8.6698E+01 mv 1 21 84 -85 0 + 4 e 211 320 etot -8.6995E+01 mv 1 21 84 -40 0 + 4 e 150 331 etot -8.3705E+01 mv 1 21 54 -137 0 c 54 1.4 0.0 + 4 e 378 294 etot -7.8362E+01 mv 2 21 20 -89 0 c 130 355.0 1.4 + 4 e 512 282 etot -7.6397E+01 mv 2 21 157 -56 0 f 11 549.7 0.0 + 4 e 382 301 etot -7.6835E+01 mv 1 21 172 -146 0 + 4 e 272 316 etot -8.6995E+01 mv 1 21 84 -14 0 + -1 e 1 352 etot 1.3528E+20 mv 1 21 166 -35 0 + 4 e 253 330 etot -7.3028E+01 mv 1 21 115 -129 0 + 4 e 206 335 etot -8.3704E+01 mv 1 21 54 -85 0 + 4 e 277 329 etot -7.8939E+01 mv 1 21 115 -86 0 + 4 e 466 312 etot -8.5795E+01 mv 1 21 1 -144 0 + -1 e 1 357 etot 1.3528E+20 mv 1 21 168 -17 0 + 4 e 170 334 etot -8.4156E+01 mv 1 21 54 -59 0 c 54 36.0 0.5 + 4 e 563 305 etot -7.7612E+01 mv 1 21 172 -181 0 + 4 e 245 339 etot -8.3473E+01 mv 1 21 95 -50 0 + 4 e 248 347 etot -8.4772E+01 mv 1 21 181 -14 0 + 4 e 441 325 etot -7.1960E+01 mv 1 21 22 -75 0 + 4 e 293 341 etot -8.4518E+01 mv 1 21 141 -54 0 + 4 e 262 346 etot -7.7156E+01 mv 1 21 181 -197 0 + 4 e 217 340 etot -8.2744E+01 mv 1 21 95 -63 0 + 4 e 495 323 etot -8.4940E+01 mv 1 21 22 -180 0 + 4 e 503 321 etot -8.1718E+01 mv 1 21 22 -103 0 + 4 e 276 348 etot -7.4267E+01 mv 1 21 181 -42 0 + 4 e 437 332 etot -6.6784E+01 mv 1 21 54 -172 0 + 4 e 549 319 etot -8.4530E+01 mv 1 21 84 -78 0 + 4 e 648 314 etot -8.0684E+01 mv 1 21 1 -75 0 c 93 302.9 2.8 + 4 e 369 345 etot -7.6620E+01 mv 1 21 141 -51 0 + -1 e 1 373 etot 1.3528E+20 mv 1 21 145 -186 0 + 4 e 273 354 etot -7.8115E+01 mv 1 21 166 -196 0 + 4 e 200 351 etot -8.2669E+01 mv 1 21 166 -85 0 + 4 e 230 360 etot -7.8427E+01 mv 1 21 168 -32 0 + 4 e 182 359 etot -7.0993E+01 mv 1 21 168 -135 0 + 4 e 487 336 etot -7.6617E+01 mv 1 21 95 -160 0 + 4 e 255 349 etot -8.4772E+01 mv 1 21 181 -29 0 + 4 e 282 358 etot -8.3562E+01 mv 1 21 168 -29 0 + 4 e 656 324 etot -7.6786E+01 mv 1 21 22 -28 0 + 4 e 560 338 etot -7.8124E+01 mv 1 21 95 -103 0 + 4 e 646 328 etot -7.0291E+01 mv 1 21 115 -66 0 + 4 e 512 344 etot -8.4735E+01 mv 1 21 141 -174 0 c 141 16.5 0.2 + 4 e 393 355 etot -6.7163E+01 mv 1 21 166 -140 0 + 4 e 236 367 etot -8.1327E+01 mv 1 21 127 -14 0 + 4 e 170 366 etot -8.2193E+01 mv 1 21 127 -85 0 + 4 e 245 369 etot -8.2589E+01 mv 1 21 127 -158 0 + 4 e 511 326 etot -8.4574E+01 mv 1 21 115 -78 0 + 4 e 274 371 etot -8.0513E+01 mv 1 21 145 -141 0 + 4 e 354 353 etot -6.8888E+01 mv 1 21 166 -20 0 + 4 e 120 385 etot -5.7230E+01 mv 1 21 157 -68 0 + -1 e 1 393 etot 1.3528E+20 mv 1 21 20 -133 0 + 4 e 288 374 etot -8.2704E+01 mv 1 21 145 -106 0 c 145 9.7 0.2 + 4 e 814 327 etot -7.3879E+01 mv 1 21 115 -108 0 + 4 e 233 379 etot -8.3545E+01 mv 1 21 55 -82 0 + 4 e 182 376 etot -7.6393E+01 mv 1 21 55 -20 0 + 4 e 299 377 etot -5.8417E+01 mv 1 21 55 -147 0 + 4 e 553 356 etot -8.6491E+01 mv 1 21 168 -109 0 c 168 228.0 2.9 + 4 e 436 363 etot -7.1042E+01 mv 1 21 77 -75 0 + 4 e 195 386 etot -8.1954E+01 mv 1 21 154 -90 0 + 4 e 463 365 etot -7.1303E+01 mv 1 21 77 -81 0 + 4 e 473 364 etot -8.1163E+01 mv 1 21 77 -99 0 + 4 e 581 333 etot -7.1740E+01 mv 1 21 54 -82 0 + 4 e 558 361 etot -7.5865E+01 mv 1 21 77 -87 0 + 4 e 451 372 etot -7.9166E+01 mv 1 21 145 -42 0 f 11 411.2 2.8 + 4 e 354 381 etot -8.2910E+01 mv 1 21 157 -26 0 c 157 2.9 0.0 + 4 e 493 350 etot -8.1978E+01 mv 1 21 181 -137 0 + 4 e 105 402 etot -8.6122E+01 mv 0 21 4 0 0 c 4 1.5 0.0 + 4 e 38 408 etot -8.3474E+01 mv 0 21 95 0 0 c 95 0.1 0.0 + 4 e 527 370 etot -8.2223E+01 mv 1 21 127 -48 0 + 4 e 126 403 etot -8.5883E+01 mv 0 21 1 0 0 + 4 e 149 401 etot -7.6536E+01 mv 0 21 172 0 0 + 4 e 309 378 etot -7.2227E+01 mv 1 21 55 -18 0 + 4 e 294 389 etot -8.2046E+01 mv 1 21 154 -52 0 + 4 e 80 407 etot -8.3705E+01 mv 0 21 54 0 0 + 4 e 107 406 etot -8.3804E+01 mv 0 21 115 0 0 + 4 e 201 390 etot -8.1954E+01 mv 1 21 154 -52 0 + 4 e 373 384 etot -8.2505E+01 mv 1 21 157 -76 0 +## N0 total= 23 close= 10 far= 0 %acc 43.5 +## N1 total= 97 close= 10 far= 1 %acc 11.3 +## N2 total= 100 close= 8 far= 3 %acc 11.0 +## N3 total= 0 close= 0 far= 0 %acc 0.0 +## N4 total= 0 close= 0 far= 0 %acc 0.0 +## N5 total= 0 close= 0 far= 0 %acc 0.0 +## N6 total= 200 close= 38 far= 18 %acc 28.0 +## N7 total= 0 close= 0 far= 0 %acc 0.0 +## N8 total= 0 close= 0 far= 0 %acc 0.0 +## N9 total= 0 close= 0 far= 0 %acc 0.0 +##N10 total= 0 close= 0 far= 0 %acc 0.0 +##N11 total= 0 close= 0 far= 0 %acc 0.0 +##N12 total= 0 close= 0 far= 0 %acc 0.0 +##N13 total= 0 close= 0 far= 0 %acc 0.0 +##N14 total= 0 close= 0 far= 0 %acc 0.0 +##N15 total= 0 close= 0 far= 0 %acc 0.0 +##N16 total= 0 close= 0 far= 0 %acc 0.0 +##N17 total= 0 close= 0 far= 0 %acc 0.0 +##N18 total= 0 close= 0 far= 0 %acc 0.0 + Time for refresh 22 0.29 + make_var : nseed= 20 ntry= 420 + Time for make trial 23 0.06 +Nonsetup time 48.80 sec, Eval/s = 61766.55 +Time for iter 23 1.89 sec, Eval/s = 70443.37 + UPDATING 420 + 4 e 599 368 etot -7.2559E+01 mv 1 21 127 -79 0 + 4 e 294 391 etot -6.9309E+01 mv 1 21 20 -161 0 + 4 e 91 417 etot -8.2137E+01 mv 0 21 157 0 0 + 4 e 151 420 etot -8.1112E+01 mv 0 21 109 0 0 c 109 2.0 0.0 + 4 e 429 383 etot -7.0596E+01 mv 1 21 157 -21 0 + 4 e 102 418 etot -8.1955E+01 mv 0 21 154 0 0 + 4 e 168 411 etot -8.2669E+01 mv 0 21 166 0 0 c 166 1.0 0.0 + 4 e 631 362 etot -8.0422E+01 mv 1 21 77 -126 0 + 4 e 238 400 etot -8.1112E+01 mv 1 21 109 -11 0 + 4 e 619 382 etot -7.3269E+01 mv 1 21 157 -148 0 + 4 e 655 375 etot -7.6775E+01 mv 1 21 145 -180 0 + 4 e 191 413 etot -8.2755E+01 mv 0 21 77 0 0 c 77 1.6 0.0 + 4 e 64 416 etot -8.3545E+01 mv 0 21 55 0 0 c 55 0.5 0.0 + 4 e 83 412 etot -8.3563E+01 mv 0 21 168 0 0 + 4 e 634 395 etot -7.1238E+01 mv 1 21 20 -52 0 + -1 e 1 7 etot 1.3528E+20 mv 6 22 59 92 0 + -1 e 1 8 etot 1.3528E+20 mv 6 22 59 132 0 + 4 e 96 414 etot -8.2589E+01 mv 0 21 127 0 0 c 127 1.1 0.0 + 4 e 637 396 etot -8.3112E+01 mv 1 21 109 -35 0 c 109 201.3 2.0 + 4 e 155 404 etot -8.6996E+01 mv 0 21 84 0 0 c 79 0.3 0.0 + 4 e 353 399 etot -6.8976E+01 mv 1 21 109 -65 0 + 4 e 350 394 etot -7.9885E+01 mv 1 21 20 -10 0 + 4 e 691 387 etot -8.0985E+01 mv 1 21 154 -200 0 + 4 e 357 397 etot -7.1791E+01 mv 1 21 109 -27 0 + 4 e 79 410 etot -8.4773E+01 mv 0 21 181 0 0 + 4 e 121 409 etot -8.4519E+01 mv 0 21 141 0 0 + 4 e 529 380 etot -7.1304E+01 mv 1 21 55 -1 0 + 4 e 130 415 etot -8.2541E+01 mv 0 21 145 0 0 + 4 e 271 392 etot -7.8678E+01 mv 1 21 20 -151 0 + 4 e 106 419 etot -8.1793E+01 mv 0 21 20 0 0 c 20 1.3 0.0 + 4 e 122 405 etot -8.5141E+01 mv 0 21 22 0 0 c 22 2.5 0.0 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mv 1 22 160 -154 0 + 4 e 253 368 etot -5.6761E+01 mv 1 22 172 -149 0 + 4 e 446 351 etot -8.2093E+01 mv 1 22 36 -136 0 + 4 e 373 360 etot -7.8023E+01 mv 1 22 188 -165 0 + 4 e 563 347 etot -8.1978E+01 mv 1 22 54 -127 0 + 4 e 461 354 etot -8.4888E+01 mv 1 22 36 -159 0 c 36 256.3 0.7 + 4 e 162 386 etot -8.2347E+01 mv 1 22 180 -42 0 + -1 e 1 394 etot 1.3528E+20 mv 1 22 32 -170 0 + 4 e 254 376 etot -8.2704E+01 mv 1 22 145 -22 0 + 4 e 290 373 etot -8.2634E+01 mv 1 22 157 -54 0 + 4 e 696 313 etot -8.7182E+01 mv 1 22 1 -80 0 c 1 320.0 1.2 + 4 e 182 389 etot -8.2145E+01 mv 1 22 180 -69 0 + 4 e 553 358 etot -7.5820E+01 mv 1 22 188 -181 0 + 4 e 265 371 etot -8.2910E+01 mv 1 22 157 -88 0 c 157 2.6 0.0 + 4 e 330 380 etot -5.9816E+01 mv 1 22 145 -33 0 + 4 e 334 384 etot -8.3100E+01 mv 1 22 200 -16 0 c 200 284.5 0.3 + 4 e 312 372 etot -6.6822E+01 mv 1 22 157 -146 0 + 4 e 246 393 etot -6.6868E+01 mv 1 22 32 -1 0 + 4 e 245 385 etot -8.2499E+01 mv 1 22 200 -13 0 + 4 e 267 391 etot -6.8309E+01 mv 1 22 32 -1 0 + 4 e 603 362 etot -8.0316E+01 mv 1 22 160 -128 0 + 4 e 683 359 etot -6.7875E+01 mv 1 22 188 -121 0 + 4 e 286 392 etot -6.6924E+01 mv 1 22 32 -119 0 + 4 e 323 388 etot -8.1815E+01 mv 1 22 180 -156 0 + 4 e 643 340 etot -7.2360E+01 mv 1 22 181 -38 0 + 4 e 443 377 etot -5.6221E+01 mv 1 22 145 -29 0 + 4 e 324 390 etot -7.3727E+01 mv 1 22 180 -150 0 + 4 e 382 387 etot -6.0692E+01 mv 1 22 180 -35 0 + 4 e 100 401 etot -7.8625E+01 mv 0 22 59 0 0 + 4 e 522 375 etot -8.2909E+01 mv 1 22 157 -68 0 + 4 e 77 408 etot -8.5060E+01 mv 0 22 181 0 0 c 181 1.0 0.0 + 4 e 653 367 etot -7.9526E+01 mv 1 22 172 -126 0 f 75 496.6 2.6 + 4 e 73 404 etot -8.4777E+01 mv 0 22 123 0 0 c 123 0.2 0.0 +## N0 total= 17 close= 10 far= 0 %acc 58.8 +## N1 total= 103 close= 11 far= 2 %acc 12.6 +## N2 total= 100 close= 4 far= 1 %acc 5.0 +## N3 total= 0 close= 0 far= 0 %acc 0.0 +## N4 total= 0 close= 0 far= 0 %acc 0.0 +## N5 total= 0 close= 0 far= 0 %acc 0.0 +## N6 total= 200 close= 35 far= 11 %acc 23.0 +## N7 total= 0 close= 0 far= 0 %acc 0.0 +## N8 total= 0 close= 0 far= 0 %acc 0.0 +## N9 total= 0 close= 0 far= 0 %acc 0.0 +##N10 total= 0 close= 0 far= 0 %acc 0.0 +##N11 total= 0 close= 0 far= 0 %acc 0.0 +##N12 total= 0 close= 0 far= 0 %acc 0.0 +##N13 total= 0 close= 0 far= 0 %acc 0.0 +##N14 total= 0 close= 0 far= 0 %acc 0.0 +##N15 total= 0 close= 0 far= 0 %acc 0.0 +##N16 total= 0 close= 0 far= 0 %acc 0.0 +##N17 total= 0 close= 0 far= 0 %acc 0.0 +##N18 total= 0 close= 0 far= 0 %acc 0.0 + Time for refresh 23 0.27 + make_var : nseed= 20 ntry= 420 + Time for make trial 24 0.07 +Nonsetup time 50.55 sec, Eval/s = 62014.56 +Time for iter 24 1.75 sec, Eval/s = 68945.90 + UPDATING 420 + 4 e 126 409 etot -8.4737E+01 mv 0 22 141 0 0 c 141 0.5 0.0 + 4 e 262 396 etot -8.2102E+01 mv 1 22 14 -66 0 + 4 e 145 414 etot -8.3385E+01 mv 0 22 172 0 0 + 4 e 665 370 etot -7.9710E+01 mv 1 22 172 -29 0 f 31 396.8 2.7 + 4 e 117 415 etot -8.2911E+01 mv 0 22 157 0 0 c 157 1.3 0.0 + 4 e 503 382 etot -6.1571E+01 mv 1 22 200 -162 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140 -58 0 c 140 33.4 0.3 + 4 e 271 381 etot -8.2031E+01 mv 1 23 5 -32 0 + 4 e 74 401 etot -8.3214E+01 mv 0 23 113 0 0 c 113 0.4 0.0 + 4 e 73 405 etot -8.4712E+01 mv 0 23 98 0 0 + 4 e 336 379 etot -8.1092E+01 mv 1 23 198 -192 0 + 4 e 85 403 etot -8.7232E+01 mv 0 23 174 0 0 c 174 0.7 0.0 + 4 e 194 390 etot -8.1564E+01 mv 1 23 96 -198 0 + 4 e 270 385 etot -7.4674E+01 mv 1 23 5 -35 0 + 4 e 36 411 etot -8.1941E+01 mv 0 23 48 0 0 c 48 0.0 0.0 + 4 e 462 347 etot -8.2059E+01 mv 1 23 170 -61 0 + 4 e 128 402 etot -8.5215E+01 mv 0 23 152 0 0 + 4 e 272 389 etot -7.2838E+01 mv 1 23 96 -14 0 + 4 e 115 407 etot -8.6378E+01 mv 0 23 82 0 0 c 82 0.4 0.0 + 4 e 101 404 etot -8.4391E+01 mv 0 23 35 0 0 c 194 190.8 4.8 +## N0 total= 24 close= 14 far= 0 %acc 58.3 +## N1 total= 96 close= 3 far= 2 %acc 5.2 +## N2 total= 100 close= 5 far= 2 %acc 7.0 +## N3 total= 0 close= 0 far= 0 %acc 0.0 +## N4 total= 0 close= 0 far= 0 %acc 0.0 +## N5 total= 0 close= 0 far= 0 %acc 0.0 +## N6 total= 200 close= 27 far= 10 %acc 18.5 +## N7 total= 0 close= 0 far= 0 %acc 0.0 +## N8 total= 0 close= 0 far= 0 %acc 0.0 +## N9 total= 0 close= 0 far= 0 %acc 0.0 +##N10 total= 0 close= 0 far= 0 %acc 0.0 +##N11 total= 0 close= 0 far= 0 %acc 0.0 +##N12 total= 0 close= 0 far= 0 %acc 0.0 +##N13 total= 0 close= 0 far= 0 %acc 0.0 +##N14 total= 0 close= 0 far= 0 %acc 0.0 +##N15 total= 0 close= 0 far= 0 %acc 0.0 +##N16 total= 0 close= 0 far= 0 %acc 0.0 +##N17 total= 0 close= 0 far= 0 %acc 0.0 +##N18 total= 0 close= 0 far= 0 %acc 0.0 + Time for refresh 24 0.28 + make_var : nseed= 20 ntry= 420 + Time for make trial 25 0.07 +Nonsetup time 52.43 sec, Eval/s = 62291.01 +Time for iter 25 1.88 sec, Eval/s = 69712.73 + UPDATING 420 + 4 e 430 392 etot -8.0375E+01 mv 1 23 59 -15 0 f 89 461.5 2.9 + 4 e 544 368 etot -8.4633E+01 mv 1 23 180 -112 0 + 4 e 388 383 etot -7.4273E+01 mv 1 23 5 -172 0 + 4 e 387 388 etot -7.9636E+01 mv 1 23 96 -136 0 + 4 e 361 391 etot -8.1522E+01 mv 1 23 59 -174 0 c 59 2.0 0.0 + 4 e 549 371 etot -8.5887E+01 mv 1 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-7.5432E+01 mv 1 24 98 -88 0 + -1 e 1 399 etot 1.3528E+20 mv 1 24 158 -182 0 + 4 e 156 381 etot -8.2371E+01 mv 1 24 116 -105 0 + 4 e 493 354 etot -8.2475E+01 mv 1 24 5 -179 0 c 5 14.5 0.0 + 4 e 427 362 etot -6.4827E+01 mv 1 24 73 -157 0 + 4 e 254 376 etot -8.0608E+01 mv 1 24 110 -155 0 + 4 e 227 380 etot -8.2039E+01 mv 1 24 110 -30 0 + 4 e 534 355 etot -8.2450E+01 mv 1 24 5 -185 0 + 4 e 106 401 etot -7.9507E+01 mv 0 24 12 0 0 + 4 e 231 383 etot -8.2371E+01 mv 1 24 116 -121 0 + 4 e 306 379 etot -8.0608E+01 mv 1 24 110 -131 0 + 4 e 131 403 etot -8.7522E+01 mv 0 24 101 0 0 + 4 e 86 407 etot -8.5051E+01 mv 0 24 143 0 0 + 4 e 104 405 etot -8.2563E+01 mv 0 24 170 0 0 c 170 1.4 0.0 + 4 e 333 378 etot -8.0317E+01 mv 1 24 110 -49 0 + 4 e 102 406 etot -8.2787E+01 mv 0 24 147 0 0 c 147 0.6 0.0 + 4 e 628 357 etot -7.9841E+01 mv 1 24 39 -119 0 + 4 e 146 404 etot -8.5648E+01 mv 0 24 140 0 0 + 4 e 366 377 etot -7.4916E+01 mv 1 24 110 -96 0 + 4 e 116 408 etot -8.6134E+01 mv 0 24 98 0 0 c 98 0.4 0.0 + 4 e 292 391 etot -8.2022E+01 mv 1 24 154 -103 0 +## N0 total= 20 close= 11 far= 0 %acc 55.0 +## N1 total= 100 close= 10 far= 2 %acc 12.0 +## N2 total= 100 close= 11 far= 4 %acc 15.0 +## N3 total= 0 close= 0 far= 0 %acc 0.0 +## N4 total= 0 close= 0 far= 0 %acc 0.0 +## N5 total= 0 close= 0 far= 0 %acc 0.0 +## N6 total= 200 close= 29 far= 13 %acc 21.0 +## N7 total= 0 close= 0 far= 0 %acc 0.0 +## N8 total= 0 close= 0 far= 0 %acc 0.0 +## N9 total= 0 close= 0 far= 0 %acc 0.0 +##N10 total= 0 close= 0 far= 0 %acc 0.0 +##N11 total= 0 close= 0 far= 0 %acc 0.0 +##N12 total= 0 close= 0 far= 0 %acc 0.0 +##N13 total= 0 close= 0 far= 0 %acc 0.0 +##N14 total= 0 close= 0 far= 0 %acc 0.0 +##N15 total= 0 close= 0 far= 0 %acc 0.0 +##N16 total= 0 close= 0 far= 0 %acc 0.0 +##N17 total= 0 close= 0 far= 0 %acc 0.0 +##N18 total= 0 close= 0 far= 0 %acc 0.0 + Time for refresh 25 0.26 + make_var : nseed= 20 ntry= 420 + Time for make trial 26 0.05 +Nonsetup time 54.27 sec, Eval/s = 62608.18 +Time for iter 26 1.84 sec, Eval/s = 71665.84 + UPDATING 420 + 4 e 453 398 etot -7.7333E+01 mv 1 24 158 -187 0 + 4 e 426 402 etot -8.7719E+01 mv 0 24 1 0 0 c 1 1.3 0.0 + 4 e 103 416 etot -8.2040E+01 mv 0 24 110 0 0 c 110 1.6 0.0 + 4 e 422 396 etot -8.4108E+01 mv 1 24 158 -175 0 c 158 72.0 1.0 + 4 e 119 418 etot -8.1458E+01 mv 0 24 11 0 0 c 11 1.7 0.0 + 4 e 265 400 etot -8.1174E+01 mv 1 24 158 -5 0 + 4 e 117 413 etot -8.2032E+01 mv 0 24 73 0 0 + 4 e 502 393 etot -7.0055E+01 mv 1 24 154 -88 0 + 4 e 58 417 etot -8.2371E+01 mv 0 24 116 0 0 + 4 e 52 420 etot -8.1370E+01 mv 0 24 158 0 0 + 4 e 506 388 etot -6.6791E+01 mv 1 24 11 -57 0 + 4 e 333 385 etot -7.9265E+01 mv 1 24 116 -35 0 + 4 e 87 415 etot -8.1473E+01 mv 0 24 167 0 0 c 167 1.4 0.0 + 4 e 315 392 etot -8.2102E+01 mv 1 24 154 -65 0 + 4 e 77 412 etot -8.2130E+01 mv 0 24 39 0 0 c 39 0.4 0.0 + 4 e 276 394 etot -7.5984E+01 mv 1 24 154 -75 0 + 4 e 106 410 etot -8.5265E+01 mv 0 24 152 0 0 + 4 e 86 419 etot -8.2383E+01 mv 0 24 154 0 0 + 4 e 393 384 etot -7.8810E+01 mv 1 24 116 -32 0 f 146 454.6 0.5 + -1 e 1 10 etot 1.3528E+20 mv 6 25 6 171 0 + -1 e 1 11 etot 1.3528E+20 mv 6 25 1 63 0 + 4 e 95 414 etot -8.2017E+01 mv 0 24 102 0 0 c 102 1.0 0.0 + 4 e 114 409 etot -8.4901E+01 mv 0 24 115 0 0 + 4 e 139 411 etot -8.2453E+01 mv 0 24 5 0 0 + 4 e 299 395 etot -7.6770E+01 mv 1 24 154 -178 0 + -1 e 1 19 etot 1.3528E+20 mv 6 25 1 29 0 + 4 e 543 367 etot -5.9235E+01 mv 1 24 102 -145 0 + 4 e 223 386 etot -8.1602E+01 mv 1 24 11 -145 0 c 11 2.6 0.1 + 4 e 250 389 etot -6.3657E+01 mv 1 24 11 -13 0 + 4 e 369 382 etot -7.3741E+01 mv 1 24 116 -175 0 + 4 e 670 372 etot -7.8587E+01 mv 1 24 167 -170 0 + 4 e 561 359 etot -7.5211E+01 mv 1 24 39 -195 0 + 4 e 329 390 etot -8.1457E+01 mv 1 24 11 -89 0 + 4 e 438 365 etot -8.1526E+01 mv 1 24 73 -194 0 + -1 e 1 27 etot 1.3528E+20 mv 6 25 152 26 0 + -1 e 1 32 etot 1.3528E+20 mv 6 25 140 59 0 + -1 e 1 33 etot 1.3528E+20 mv 6 25 140 22 0 + 4 e 150 29 etot -6.4138E+01 mv 6 25 152 112 0 + 4 e 144 16 etot -8.6271E+01 mv 6 25 1 71 0 + 4 e 148 24 etot -8.2669E+01 mv 6 25 152 166 0 + 4 e 190 6 etot -8.0595E+01 mv 6 25 6 124 0 c 6 1.1 0.0 + 4 e 227 26 etot -7.2125E+01 mv 6 25 152 117 0 + 4 e 247 9 etot -7.9663E+01 mv 6 25 6 13 0 + 4 e 230 37 etot -8.4327E+01 mv 6 25 140 40 0 c 14 323.7 2.0 + -1 e 1 44 etot 1.3102E+22 mv 6 25 143 27 0 + 4 e 244 3 etot -7.8346E+01 mv 6 25 6 73 0 + 4 e 253 25 etot -7.3571E+01 mv 6 25 152 143 0 + 4 e 247 7 etot -8.6175E+01 mv 6 25 6 174 0 + 4 e 281 8 etot -7.3113E+01 mv 6 25 6 68 0 + 4 e 261 31 etot -7.6847E+01 mv 6 25 140 13 0 + 4 e 285 36 etot -8.4144E+01 mv 6 25 140 109 0 c 109 88.5 1.0 + 4 e 282 2 etot -7.7648E+01 mv 6 25 6 94 0 + 4 e 327 14 etot -8.6976E+01 mv 6 25 1 76 0 + 4 e 318 23 etot -8.5321E+01 mv 6 25 152 169 0 + 4 e 335 30 etot -8.8306E+01 mv 6 25 152 128 0 + 4 e 344 22 etot -7.1653E+01 mv 6 25 152 110 0 + 4 e 333 21 etot -7.6272E+01 mv 6 25 152 15 0 + 4 e 337 17 etot -8.2497E+01 mv 6 25 1 81 0 f 33 400.1 4.2 + 4 e 380 18 etot -7.6115E+01 mv 6 25 1 14 0 + 4 e 391 13 etot -7.4362E+01 mv 6 25 1 126 0 + 4 e 244 40 etot -8.4247E+01 mv 6 25 140 57 0 + 4 e 173 45 etot -8.5211E+01 mv 6 25 143 62 0 c 143 1.2 0.0 + -1 e 1 62 etot 1.3528E+20 mv 6 25 115 158 0 + 4 e 99 56 etot -8.2755E+01 mv 6 25 131 77 0 c 77 0.5 0.0 + 4 e 287 38 etot -8.5354E+01 mv 6 25 140 91 0 + 4 e 305 41 etot -8.3315E+01 mv 6 25 143 16 0 + 4 e 471 12 etot -7.7429E+01 mv 6 25 1 118 0 + 4 e 517 5 etot -8.1527E+01 mv 6 25 6 36 0 c 6 333.2 0.9 + -1 e 1 68 etot 1.3528E+20 mv 6 25 115 17 0 + 4 e 466 15 etot -7.4487E+01 mv 6 25 1 35 0 + 4 e 296 39 etot -8.5865E+01 mv 6 25 140 170 0 + 4 e 463 34 etot -7.9797E+01 mv 6 25 140 92 0 + 4 e 537 4 etot -7.4004E+01 mv 6 25 6 173 0 + 4 e 205 50 etot -7.5724E+01 mv 6 25 143 168 0 + 4 e 481 28 etot -8.9836E+01 mv 6 25 152 39 0 + 4 e 208 51 etot -7.1143E+01 mv 6 25 131 99 0 + 4 e 495 35 etot -7.7146E+01 mv 6 25 140 35 0 + 4 e 563 1 etot -8.0482E+01 mv 6 25 6 200 0 f 175 402.8 2.2 + 4 e 245 54 etot -8.5576E+01 mv 6 25 131 18 0 c 131 3.9 0.0 + 4 e 247 53 etot -8.2130E+01 mv 6 25 131 83 0 + 4 e 401 46 etot -8.2753E+01 mv 6 25 143 32 0 + 4 e 578 20 etot -8.2220E+01 mv 6 25 1 102 0 + 4 e 349 49 etot -8.5209E+01 mv 6 25 143 120 0 + 4 e 383 43 etot -8.5210E+01 mv 6 25 143 91 0 + 4 e 57 83 etot -8.4291E+01 mv 6 25 2 178 0 c 178 0.3 0.0 + 4 e 238 70 etot -8.4724E+01 mv 6 25 115 191 0 + 4 e 478 52 etot -7.6845E+01 mv 6 25 131 186 0 + 4 e 159 75 etot -7.3573E+01 mv 6 25 162 172 0 + 4 e 315 58 etot -8.0113E+01 mv 6 25 131 195 0 c 195 49.2 0.1 + -1 e 1 88 etot 1.3528E+20 mv 6 25 2 83 0 + 4 e 206 65 etot -8.3454E+01 mv 6 25 115 144 0 + 4 e 539 48 etot -7.9989E+01 mv 6 25 143 159 0 + 4 e 195 79 etot -8.4358E+01 mv 6 25 162 85 0 c 162 2.3 0.0 + 4 e 335 55 etot -8.1634E+01 mv 6 25 131 74 0 + 4 e 381 61 etot -8.3558E+01 mv 6 25 115 196 0 + 4 e 486 42 etot -7.9689E+01 mv 6 25 143 80 0 + 4 e 377 67 etot -8.3008E+01 mv 6 25 115 70 0 + -1 e 1 97 etot 1.2044E+43 mv 6 25 172 2 0 + 4 e 459 60 etot -8.2365E+01 mv 6 25 131 133 0 + 4 e 381 59 etot -8.3604E+01 mv 6 25 131 89 0 + 4 e 312 78 etot -7.8234E+01 mv 6 25 162 182 0 + 4 e 315 71 etot -7.0088E+01 mv 6 25 162 59 0 + 4 e 584 47 etot -8.3425E+01 mv 6 25 143 28 0 + 4 e 434 64 etot -7.8094E+01 mv 6 25 115 36 0 + -1 e 1 104 etot 1.5637E+23 mv 6 25 200 61 0 + 4 e 416 73 etot -7.4574E+01 mv 6 25 162 189 0 + 4 e 293 82 etot -8.4423E+01 mv 6 25 2 130 0 c 2 40.6 0.1 + 4 e 558 57 etot -8.2297E+01 mv 6 25 131 78 0 + 4 e 457 69 etot -8.0934E+01 mv 6 25 115 168 0 + -1 e 1 109 etot 1.3528E+20 mv 6 25 200 158 0 + 4 e 324 72 etot -8.4382E+01 mv 6 25 162 1 0 c 162 20.8 0.0 + 4 e 202 92 etot -8.3679E+01 mv 6 25 172 141 0 c 172 3.7 0.0 + 4 e 310 84 etot -8.4317E+01 mv 6 25 2 86 0 + 4 e 439 80 etot -8.2477E+01 mv 6 25 162 5 0 c 5 5.6 0.0 + 4 e 259 89 etot -7.8151E+01 mv 6 25 2 119 0 + 4 e 277 93 etot -8.2909E+01 mv 6 25 172 190 0 c 31 203.7 3.2 + 4 e 215 99 etot -8.3635E+01 mv 6 25 172 97 0 + 4 e 639 66 etot -8.2930E+01 mv 6 25 115 123 0 + 4 e 258 102 etot -7.4991E+01 mv 6 25 200 63 0 + -1 e 1 119 etot 1.3528E+20 mv 6 25 73 71 0 + 4 e 240 103 etot -8.0280E+01 mv 6 25 200 100 0 c 100 146.6 0.9 + -1 e 1 121 etot 1.3528E+20 mv 6 25 158 167 0 + 4 e 422 74 etot -8.4357E+01 mv 6 25 162 7 0 + 4 e 218 107 etot -7.6678E+01 mv 6 25 200 179 0 + 4 e 162 112 etot -6.9709E+01 mv 6 25 73 44 0 + 4 e 427 85 etot -7.0804E+01 mv 6 25 2 138 0 + 4 e 417 86 etot -8.3689E+01 mv 6 25 2 166 0 + 4 e 267 105 etot -8.4396E+01 mv 6 25 200 7 0 c 200 126.4 1.3 + 4 e 295 90 etot -8.4031E+01 mv 6 25 2 119 0 + 4 e 293 91 etot -7.9463E+01 mv 6 25 172 193 0 c 183 352.6 0.8 + 4 e 320 101 etot -7.6057E+01 mv 6 25 200 21 0 + 4 e 203 113 etot -8.4892E+01 mv 6 25 73 46 0 c 198 135.4 1.4 + 4 e 412 96 etot -7.6676E+01 mv 6 25 172 186 0 + 4 e 617 81 etot -8.5212E+01 mv 6 25 2 152 0 + 4 e 341 106 etot -6.9821E+01 mv 6 25 200 84 0 + 4 e 494 87 etot -8.3856E+01 mv 6 25 2 196 0 + 4 e 386 100 etot -8.2898E+01 mv 6 25 172 150 0 + 4 e 251 114 etot -8.2617E+01 mv 6 25 73 105 0 + -1 e 1 138 etot 1.3528E+20 mv 6 25 116 128 0 + 4 e 516 76 etot -8.1723E+01 mv 6 25 162 9 0 c 186 324.8 2.1 + 4 e 488 95 etot -7.8111E+01 mv 6 25 172 101 0 + 4 e 369 94 etot -6.8088E+01 mv 6 25 172 106 0 + 4 e 39 141 etot -8.2130E+01 mv 6 25 5 39 0 c 39 0.2 0.0 + 4 e 254 122 etot -7.9222E+01 mv 6 25 158 81 0 c 81 154.3 0.1 + 4 e 448 108 etot -7.9488E+01 mv 6 25 200 28 0 + 4 e 243 126 etot -6.4840E+01 mv 6 25 158 196 0 + 4 e 263 125 etot -7.4614E+01 mv 6 25 158 188 0 + 4 e 161 136 etot -7.7230E+01 mv 6 25 116 189 0 + -1 e 1 147 etot 1.3528E+20 mv 6 25 5 124 0 + 8 e 24 146 etot -6.3986E+01 mv 6 25 5 105 0 + 4 e 228 131 etot -8.2185E+01 mv 6 25 116 185 0 + 4 e 312 120 etot -6.3545E+01 mv 6 25 73 74 0 + 4 e 321 111 etot -7.7984E+01 mv 6 25 73 159 0 + 4 e 165 129 etot -8.3082E+01 mv 6 25 158 133 0 + 4 e 366 117 etot -8.4773E+01 mv 6 25 73 102 0 + 4 e 388 116 etot -8.3104E+01 mv 6 25 73 27 0 c 73 24.1 0.2 + 4 e 696 63 etot -9.2230E+01 mv 6 25 115 104 0 + 4 e 206 135 etot -8.1579E+01 mv 6 25 116 14 0 + -1 e 1 158 etot 1.3528E+20 mv 6 25 3 103 0 + 4 e 440 115 etot -8.3746E+01 mv 6 25 73 51 0 c 73 114.6 0.6 + 4 e 206 137 etot -8.3054E+01 mv 6 25 116 88 0 c 116 136.8 0.5 + 4 e 315 128 etot -8.2634E+01 mv 6 25 158 145 0 + 4 e 202 130 etot -8.4110E+01 mv 6 25 158 133 0 c 158 4.4 0.0 + 4 e 236 139 etot -9.0746E+01 mv 6 25 116 24 0 + 4 e 264 134 etot -8.2518E+01 mv 6 25 116 8 0 + 4 e 316 132 etot -7.8735E+01 mv 6 25 116 192 0 + 4 e 297 133 etot -8.2517E+01 mv 6 25 116 15 0 + 4 e 581 110 etot -8.5376E+01 mv 6 25 200 59 0 c 162 241.2 1.0 + 4 e 726 98 etot -7.0865E+01 mv 6 25 172 83 0 + 4 e 703 77 etot -8.4576E+01 mv 6 25 162 154 0 + 4 e 213 145 etot -8.0578E+01 mv 6 25 5 19 0 + 4 e 149 156 etot -6.7829E+01 mv 6 25 3 80 0 + 4 e 445 124 etot -8.0511E+01 mv 6 25 158 110 0 + 4 e 227 144 etot -7.9466E+01 mv 6 25 5 156 0 f 187 472.8 1.1 + 4 e 223 140 etot -8.2185E+01 mv 6 25 116 131 0 + 4 e 560 118 etot -8.6876E+01 mv 6 25 73 44 0 + 4 e 245 151 etot -7.2514E+01 mv 6 25 3 157 0 + 4 e 397 123 etot -7.7248E+01 mv 6 25 158 95 0 + 4 e 371 143 etot -8.0983E+01 mv 6 25 5 169 0 f 65 483.5 2.6 + 4 e 537 127 etot -8.2016E+01 mv 6 25 158 163 0 f 130 407.6 3.7 + 4 e 304 150 etot -8.2477E+01 mv 6 25 5 82 0 c 5 2.0 0.0 + 4 e 288 155 etot -8.4913E+01 mv 6 25 3 104 0 c 3 122.6 2.5 + 4 e 249 162 etot -8.2363E+01 mv 6 25 149 184 0 c 149 6.3 0.0 + 4 e 54 179 etot -8.5060E+01 mv 6 25 14 181 0 c 181 0.3 0.0 + 4 e 330 142 etot -8.2477E+01 mv 6 25 5 126 0 + 4 e 276 165 etot -7.8788E+01 mv 6 25 149 114 0 + 4 e 260 167 etot -8.0833E+01 mv 6 25 149 103 0 + 4 e 384 152 etot -7.6344E+01 mv 6 25 3 90 0 + 4 e 357 161 etot -8.1797E+01 mv 6 25 149 32 0 + -1 e 1 189 etot 1.3528E+20 mv 6 25 157 48 0 + 4 e 229 174 etot -8.0348E+01 mv 6 25 14 107 0 + 4 e 444 149 etot -8.0201E+01 mv 6 25 5 135 0 + 4 e 186 177 etot -8.2357E+01 mv 6 25 14 81 0 + 4 e 450 148 etot -7.3712E+01 mv 6 25 5 114 0 + 4 e 199 175 etot -6.9097E+01 mv 6 25 14 135 0 + 4 e 354 168 etot -7.5957E+01 mv 6 25 149 40 0 + -1 e 1 195 etot 1.3528E+20 mv 6 25 171 114 0 + 4 e 447 160 etot 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mv 6 25 157 12 0 + 4 e 352 209 etot -7.4241E+01 mv 2 25 1 -123 0 + 4 e 241 217 etot -6.9176E+01 mv 2 25 140 -23 0 + 4 e 599 184 etot -8.4714E+01 mv 6 25 157 59 0 f 112 380.3 6.3 + -1 e 1 241 etot 1.3528E+20 mv 2 25 2 -95 0 + 4 e 331 214 etot -7.6281E+01 mv 2 25 152 -122 0 + 4 e 476 200 etot -7.9445E+01 mv 6 25 171 95 0 + 4 e 482 201 etot -8.0534E+01 mv 2 25 6 -185 0 + 4 e 266 213 etot -5.5703E+01 mv 2 25 152 -125 0 + 4 e 639 187 etot -8.5717E+01 mv 6 25 157 183 0 c 112 254.8 1.0 + 4 e 582 191 etot -7.7893E+01 mv 6 25 171 18 0 + -1 e 1 248 etot 1.3528E+20 mv 2 25 172 -17 0 + 4 e 313 220 etot -8.5889E+01 mv 2 25 140 -127 0 c 140 2.8 0.0 + 4 e 362 199 etot -8.2296E+01 mv 6 25 171 175 0 + 4 e 527 202 etot -6.0650E+01 mv 2 25 6 -195 0 + 4 e 541 206 etot -8.5182E+01 mv 2 25 1 -87 0 + 4 e 227 227 etot -6.2917E+01 mv 2 25 131 -187 0 + 4 e 329 212 etot -6.7830E+01 mv 2 25 152 -64 0 + 4 e 620 170 etot -7.7233E+01 mv 6 25 149 111 0 + 4 e 384 221 etot -7.2188E+01 mv 2 25 143 -194 0 + 4 e 198 235 etot -8.3454E+01 mv 2 25 115 -175 0 + 8 e 377 208 etot -6.3994E+01 mv 2 25 1 -131 0 + 4 e 250 233 etot -6.9653E+01 mv 2 25 115 -34 0 + 4 e 223 226 etot -7.7864E+01 mv 2 25 131 -36 0 + 4 e 431 223 etot -7.1556E+01 mv 2 25 143 -35 0 + 4 e 245 240 etot -8.4357E+01 mv 2 25 162 -46 0 + 4 e 279 238 etot -6.2174E+01 mv 2 25 162 -146 0 + 4 e 604 185 etot -8.5598E+01 mv 6 25 157 53 0 + 4 e 267 244 etot -6.6454E+01 mv 2 25 2 -53 0 + 4 e 589 215 etot -8.5699E+01 mv 2 25 152 -200 0 + 4 e 304 242 etot -6.6101E+01 mv 2 25 2 -170 0 + 4 e 374 237 etot -6.9521E+01 mv 2 25 162 -140 0 + 4 e 282 232 etot -7.0074E+01 mv 2 25 115 -43 0 + 4 e 445 230 etot -7.2611E+01 mv 2 25 131 -52 0 + 4 e 308 252 etot -6.6514E+01 mv 2 25 200 -57 0 + -1 e 1 272 etot 1.3528E+20 mv 2 25 5 -112 0 + 4 e 165 262 etot -6.8519E+01 mv 2 25 158 -97 0 + 4 e 224 260 etot -8.2914E+01 mv 2 25 73 -4 0 + 4 e 618 222 etot -7.1042E+01 mv 2 25 143 -82 0 + 4 e 259 258 etot -6.9282E+01 mv 2 25 73 -106 0 + 4 e 251 251 etot -8.3101E+01 mv 2 25 200 -39 0 + 4 e 345 253 etot -6.2133E+01 mv 2 25 200 -110 0 + -1 e 1 279 etot 1.3528E+20 mv 2 25 3 -92 0 + 4 e 410 245 etot -8.3087E+01 mv 2 25 2 -199 0 + 4 e 299 246 etot -6.6697E+01 mv 2 25 172 -123 0 + 4 e 437 247 etot -6.6752E+01 mv 2 25 172 -198 0 + -1 e 1 283 etot 1.3528E+20 mv 2 25 149 -43 0 + 4 e 500 239 etot -8.2664E+01 mv 2 25 162 -26 0 + 4 e 231 259 etot -6.8627E+01 mv 2 25 73 -126 0 + 4 e 460 249 etot -6.9956E+01 mv 2 25 172 -9 0 + 4 e 621 234 etot -7.6093E+01 mv 2 25 115 -114 0 + 4 e 299 264 etot -7.7861E+01 mv 2 25 158 -144 0 + 4 e 265 261 etot -8.3101E+01 mv 2 25 158 -118 0 + 4 e 315 255 etot -7.7045E+01 mv 2 25 200 -24 0 + 4 e 667 231 etot -8.1786E+01 mv 2 25 115 -196 0 + -1 e 1 292 etot 1.3528E+20 mv 2 25 157 -37 0 + 4 e 496 254 etot -6.9949E+01 mv 2 25 200 -173 0 + 4 e 236 273 etot -7.6764E+01 mv 2 25 5 -1 0 + 4 e 179 270 etot -7.9179E+01 mv 2 25 116 -126 0 + 4 e 615 243 etot -7.4959E+01 mv 2 25 2 -142 0 + 4 e 566 250 etot -8.3344E+01 mv 2 25 172 -92 0 + 4 e 415 263 etot -7.1251E+01 mv 2 25 158 -74 0 + 4 e 372 256 etot -8.0028E+01 mv 2 25 73 -75 0 + 4 e 347 268 etot -8.5473E+01 mv 2 25 116 -73 0 + 4 e 556 257 etot -6.9500E+01 mv 2 25 73 -163 0 + 4 e 330 271 etot -7.8687E+01 mv 2 25 5 -53 0 + 4 e 415 267 etot -7.3839E+01 mv 2 25 116 -136 0 + -1 e 1 304 etot 1.3528E+20 mv 1 25 6 -8 0 + 4 e 342 276 etot -7.5367E+01 mv 2 25 3 -117 0 + 4 e 370 275 etot -7.2936E+01 mv 2 25 5 -54 0 + 4 e 365 277 etot -7.3137E+01 mv 2 25 3 -43 0 + 4 e 207 286 etot -8.2357E+01 mv 2 25 14 -3 0 + 4 e 353 284 etot -6.5315E+01 mv 2 25 149 -57 0 + 4 e 403 281 etot -7.6048E+01 mv 2 25 149 -131 0 + 4 e 177 301 etot -8.0595E+01 mv 1 25 6 -31 0 + 4 e 362 285 etot -8.0500E+01 mv 2 25 149 -75 0 + 4 e 263 293 etot -5.8518E+01 mv 2 25 157 -7 0 + 4 e 583 269 etot -7.0677E+01 mv 2 25 116 -115 0 + -1 e 1 315 etot 1.3528E+20 mv 1 25 152 -55 0 + 4 e 596 266 etot -7.6892E+01 mv 2 25 116 -73 0 + -1 e 1 317 etot 1.3528E+20 mv 1 25 140 -118 0 + -1 e 1 318 etot 1.3528E+20 mv 1 25 140 -71 0 + 4 e 281 299 etot -7.9300E+01 mv 2 25 171 -51 0 + 4 e 431 287 etot -6.3463E+01 mv 2 25 14 -124 0 + 4 e 264 290 etot -8.2357E+01 mv 2 25 14 -16 0 + 4 e 231 306 etot -8.7719E+01 mv 1 25 1 -19 0 c 1 1.5 0.0 + -1 e 1 323 etot 1.3528E+20 mv 1 25 143 -23 0 + 4 e 266 296 etot -8.0838E+01 mv 2 25 171 -26 0 + 4 e 322 302 etot -8.0534E+01 mv 1 25 6 -36 0 + 4 e 432 295 etot -7.4189E+01 mv 2 25 157 -160 0 + 4 e 445 278 etot -6.8063E+01 mv 2 25 3 -65 0 + 4 e 670 274 etot -6.5946E+01 mv 2 25 5 -140 0 + -1 e 1 328 etot 1.3528E+20 mv 1 25 131 -69 0 + 4 e 439 282 etot -7.0496E+01 mv 2 25 149 -198 0 + 4 e 331 291 etot -8.2964E+01 mv 2 25 157 -189 0 c 157 4.7 0.0 + 4 e 275 310 etot -8.6271E+01 mv 1 25 1 -93 0 + 4 e 480 294 etot -7.2233E+01 mv 2 25 157 -28 0 + 4 e 365 305 etot -7.4304E+01 mv 1 25 6 -125 0 + 4 e 538 288 etot -7.7287E+01 mv 2 25 14 -37 0 + 4 e 654 280 etot -7.6934E+01 mv 2 25 3 -53 0 + 4 e 462 298 etot -8.1979E+01 mv 2 25 171 -130 0 + 4 e 459 303 etot -7.4549E+01 mv 1 25 6 -101 0 + 4 e 599 265 etot -7.9005E+01 mv 2 25 158 -77 0 + 4 e 248 319 etot -8.4973E+01 mv 1 25 140 -27 0 + 4 e 345 300 etot -8.2295E+01 mv 2 25 171 -73 0 + 4 e 536 297 etot -6.2511E+01 mv 2 25 171 -196 0 + 4 e 423 307 etot -6.6119E+01 mv 1 25 1 -128 0 + 4 e 254 321 etot -8.5211E+01 mv 1 25 143 -79 0 + 4 e 198 333 etot -8.4917E+01 mv 1 25 115 -125 0 c 115 1.4 0.0 + 4 e 349 320 etot -7.8238E+01 mv 1 25 140 -15 0 + 4 e 760 289 etot -8.0563E+01 mv 2 25 14 -197 0 + 4 e 180 339 etot -4.8530E+01 mv 1 25 162 -199 0 + 4 e 504 311 etot -8.6315E+01 mv 1 25 152 -103 0 c 152 192.1 0.5 + 4 e 391 309 etot -7.7993E+01 mv 1 25 1 -102 0 + 4 e 212 331 etot -7.1087E+01 mv 1 25 115 -121 0 + 4 e 529 313 etot -7.2878E+01 mv 1 25 152 -64 0 + -1 e 1 353 etot 1.3528E+20 mv 1 25 200 -89 0 + 4 e 485 316 etot -7.2338E+01 mv 1 25 140 -162 0 + 4 e 622 308 etot -8.2772E+01 mv 1 25 1 -164 0 c 195 226.1 2.7 + 4 e 362 329 etot -8.5574E+01 mv 1 25 131 -4 0 + 4 e 318 337 etot -8.2890E+01 mv 1 25 162 -123 0 + 4 e 395 327 etot -7.8097E+01 mv 1 25 131 -4 0 + 4 e 571 314 etot -8.6110E+01 mv 1 25 152 -73 0 + -1 e 1 360 etot 1.3528E+20 mv 1 25 73 -26 0 + 4 e 609 312 etot -8.1320E+01 mv 1 25 152 -137 0 + -1 e 1 362 etot 1.3528E+20 mv 1 25 158 -109 0 + 4 e 248 345 etot -8.4318E+01 mv 1 25 2 -136 0 + 4 e 355 338 etot -7.5024E+01 mv 1 25 162 -32 0 + 4 e 418 334 etot -8.3618E+01 mv 1 25 115 -23 0 + 4 e 236 340 etot -8.4382E+01 mv 1 25 162 -153 0 + 4 e 460 336 etot -8.4356E+01 mv 1 25 162 -30 0 + 4 e 463 335 etot -8.4915E+01 mv 1 25 115 -116 0 + 4 e 286 346 etot -7.9960E+01 mv 1 25 172 -84 0 + 4 e 387 341 etot -8.4316E+01 mv 1 25 2 -56 0 + 4 e 181 356 etot -8.2914E+01 mv 1 25 73 -177 0 + 4 e 408 325 etot -7.8854E+01 mv 1 25 143 -113 0 + 4 e 356 347 etot -6.8248E+01 mv 1 25 172 -49 0 + 4 e 381 332 etot -7.8506E+01 mv 1 25 115 -91 0 + -1 e 1 375 etot 1.3528E+20 mv 1 25 5 -42 0 + 4 e 684 326 etot -8.3902E+01 mv 1 25 131 -157 0 c 62 273.2 0.0 + 4 e 714 324 etot -7.8429E+01 mv 1 25 143 -170 0 + 4 e 508 322 etot -7.9769E+01 mv 1 25 143 -182 0 + 4 e 382 348 etot -7.5379E+01 mv 1 25 172 -10 0 + 4 e 350 350 etot -8.2909E+01 mv 1 25 172 -68 0 + 4 e 355 349 etot -6.8214E+01 mv 1 25 172 -69 0 + 4 e 241 351 etot -8.2764E+01 mv 1 25 200 -184 0 + -1 e 1 383 etot 1.3528E+20 mv 1 25 149 -140 0 + 4 e 478 330 etot -7.3539E+01 mv 1 25 131 -60 0 + 4 e 323 357 etot -8.1525E+01 mv 1 25 73 -183 0 + 4 e 323 359 etot -6.8808E+01 mv 1 25 73 -192 0 + 4 e 392 354 etot -7.7573E+01 mv 1 25 200 -178 0 + 4 e 208 369 etot -8.2518E+01 mv 1 25 116 -152 0 + 4 e 310 363 etot -6.1542E+01 mv 1 25 158 -94 0 + 4 e 341 361 etot -8.3101E+01 mv 1 25 158 -180 0 + 4 e 126 377 etot -6.1628E+01 mv 1 25 3 -79 0 + 4 e 289 366 etot -8.2515E+01 mv 1 25 116 -39 0 + 4 e 332 364 etot -7.8014E+01 mv 1 25 158 -140 0 + 4 e 460 342 etot -7.4746E+01 mv 1 25 2 -38 0 + 4 e 654 343 etot -7.7095E+01 mv 1 25 2 -126 0 + 4 e 294 368 etot -8.1167E+01 mv 1 25 116 -55 0 + 4 e 496 355 etot -7.1580E+01 mv 1 25 200 -140 0 + 4 e 264 374 etot -8.2502E+01 mv 1 25 5 -172 0 c 5 37.5 0.0 + 4 e 706 344 etot -7.7771E+01 mv 1 25 2 -99 0 + 4 e 518 358 etot -7.4732E+01 mv 1 25 73 -57 0 + 4 e 71 401 etot -8.0595E+01 mv 0 25 6 0 0 + 4 e 317 381 etot -8.2343E+01 mv 1 25 149 -35 0 + 4 e 201 385 etot -8.2363E+01 mv 1 25 149 -148 0 c 149 1.7 0.0 + 4 e 339 380 etot -8.3154E+01 mv 1 25 3 -54 0 + 4 e 285 376 etot -8.2616E+01 mv 1 25 3 -145 0 + 4 e 327 373 etot -7.0126E+01 mv 1 25 5 -4 0 + 4 e 272 390 etot -7.6202E+01 mv 1 25 14 -190 0 + 4 e 354 382 etot -6.0833E+01 mv 1 25 149 -113 0 + 4 e 304 386 etot -7.6924E+01 mv 1 25 14 -98 0 + 4 e 554 365 etot -6.7081E+01 mv 1 25 158 -47 0 + 4 e 482 352 etot -7.9891E+01 mv 1 25 200 -1 0 + 4 e 300 388 etot -7.8820E+01 mv 1 25 14 -175 0 f 47 429.1 0.3 + 4 e 540 371 etot -7.2934E+01 mv 1 25 5 -27 0 + 4 e 440 378 etot -7.9317E+01 mv 1 25 3 -63 0 + 4 e 94 405 etot -8.5211E+01 mv 0 25 143 0 0 c 143 0.7 0.0 + 4 e 388 387 etot -6.7052E+01 mv 1 25 14 -58 0 + 4 e 301 396 etot -8.0237E+01 mv 1 25 171 -9 0 + 4 e 367 391 etot -8.2963E+01 mv 1 25 157 -186 0 + 4 e 150 402 etot -8.7720E+01 mv 0 25 1 0 0 c 1 0.4 0.0 +## N0 total= 16 close= 8 far= 0 %acc 50.0 +## N1 total= 104 close= 9 far= 2 %acc 10.6 +## N2 total= 100 close= 2 far= 0 %acc 2.0 +## N3 total= 0 close= 0 far= 0 %acc 0.0 +## N4 total= 0 close= 0 far= 0 %acc 0.0 +## N5 total= 0 close= 0 far= 0 %acc 0.0 +## N6 total= 200 close= 36 far= 7 %acc 21.5 +## N7 total= 0 close= 0 far= 0 %acc 0.0 +## N8 total= 0 close= 0 far= 0 %acc 0.0 +## N9 total= 0 close= 0 far= 0 %acc 0.0 +##N10 total= 0 close= 0 far= 0 %acc 0.0 +##N11 total= 0 close= 0 far= 0 %acc 0.0 +##N12 total= 0 close= 0 far= 0 %acc 0.0 +##N13 total= 0 close= 0 far= 0 %acc 0.0 +##N14 total= 0 close= 0 far= 0 %acc 0.0 +##N15 total= 0 close= 0 far= 0 %acc 0.0 +##N16 total= 0 close= 0 far= 0 %acc 0.0 +##N17 total= 0 close= 0 far= 0 %acc 0.0 +##N18 total= 0 close= 0 far= 0 %acc 0.0 + Time for refresh 26 0.27 + make_var : nseed= 20 ntry= 420 + Time for make trial 27 0.09 +Nonsetup time 56.14 sec, Eval/s = 62811.14 +Time for iter 27 1.88 sec, Eval/s = 68672.93 + UPDATING 420 + 4 e 181 411 etot -8.3102E+01 mv 0 25 200 0 0 + 4 e 98 410 etot -8.3679E+01 mv 0 25 172 0 0 c 172 2.8 0.0 + 4 e 410 392 etot -7.4045E+01 mv 1 25 157 -74 0 + 4 e 261 414 etot -8.2518E+01 mv 0 25 116 0 0 + 4 e 158 413 etot -8.3082E+01 mv 0 25 158 0 0 + 4 e 462 393 etot -7.3892E+01 mv 1 25 157 -48 0 + 4 e 147 409 etot -8.4318E+01 mv 0 25 2 0 0 + 4 e 524 389 etot -7.9069E+01 mv 1 25 14 -105 0 f 17 364.4 0.5 + 4 e 145 403 etot -8.5861E+01 mv 0 25 152 0 0 + 4 e 125 417 etot -8.2363E+01 mv 0 25 149 0 0 c 149 1.1 0.0 + 4 e 307 400 etot -6.8037E+01 mv 1 25 171 -120 0 + 4 e 614 397 etot -7.7550E+01 mv 1 25 171 -40 0 + 4 e 97 418 etot -8.2357E+01 mv 0 25 14 0 0 c 47 211.2 3.5 + 4 e 450 398 etot -8.0747E+01 mv 1 25 171 -56 0 + 4 e 595 372 etot -8.1341E+01 mv 1 25 5 -157 0 + 4 e 125 416 etot -8.2433E+01 mv 0 25 3 0 0 + 4 e 197 419 etot -8.2964E+01 mv 0 25 157 0 0 c 157 2.4 0.0 + 4 e 420 399 etot -7.6180E+01 mv 1 25 171 -170 0 + 4 e 643 370 etot -7.9864E+01 mv 1 25 116 -151 0 + 4 e 201 415 etot -8.2478E+01 mv 0 25 5 0 0 + 4 e 124 420 etot -8.2296E+01 mv 0 25 171 0 0 c 171 1.1 0.0 + 4 e 128 408 etot -8.4358E+01 mv 0 25 162 0 0 + 4 e 554 394 etot -8.3382E+01 mv 1 25 157 -84 0 c 157 81.3 0.4 + 4 e 285 395 etot -7.1130E+01 mv 1 25 157 -73 0 + 4 e 110 412 etot -8.2914E+01 mv 0 25 73 0 0 + 4 e 316 379 etot -8.2407E+01 mv 1 25 3 -96 0 + 4 e 573 367 etot -8.0634E+01 mv 1 25 116 -96 0 + 4 e 530 384 etot -7.6990E+01 mv 1 25 149 -78 0 + 4 e 93 407 etot -8.4917E+01 mv 0 25 115 0 0 c 115 0.6 0.0 + 4 e 141 406 etot -8.5576E+01 mv 0 25 131 0 0 c 131 2.9 0.0 + 4 e 125 404 etot -8.5890E+01 mv 0 25 140 0 0 c 140 1.3 0.0 + -1 e 1 24 etot 1.3528E+20 mv 6 26 2 100 0 + 4 e 148 6 etot -7.4781E+01 mv 6 26 44 2 0 + 4 e 155 30 etot -8.2911E+01 mv 6 26 2 169 0 c 169 1.5 0.0 + 4 e 171 26 etot -6.3206E+01 mv 6 26 2 103 0 + 4 e 191 18 etot -6.3937E+01 mv 6 26 35 165 0 + 4 e 196 8 etot -7.4273E+01 mv 6 26 44 127 0 + 4 e 207 10 etot -6.1324E+01 mv 6 26 44 54 0 + -1 e 1 38 etot 1.3528E+20 mv 6 26 200 94 0 + 4 e 229 17 etot -7.2231E+01 mv 6 26 35 140 0 + 4 e 225 23 etot -8.4918E+01 mv 6 26 2 5 0 c 2 151.1 0.5 + 8 e 32 37 etot -6.3986E+01 mv 6 26 200 108 0 + 4 e 301 7 etot -8.5718E+01 mv 6 26 44 112 0 c 112 3.2 0.0 + 4 e 260 3 etot -7.9770E+01 mv 6 26 44 79 0 c 50 149.0 0.2 + 4 e 301 27 etot -8.4317E+01 mv 6 26 2 6 0 + 4 e 315 9 etot -8.5478E+01 mv 6 26 44 70 0 c 70 53.4 0.2 + 4 e 322 32 etot -6.9981E+01 mv 6 26 200 173 0 + -1 e 1 47 etot 1.3528E+20 mv 6 26 158 148 0 + 4 e 309 16 etot -8.6000E+01 mv 6 26 35 126 0 + 4 e 319 14 etot -8.1085E+01 mv 6 26 35 15 0 c 76 251.7 0.1 + 4 e 345 19 etot -8.2932E+01 mv 6 26 35 67 0 + 4 e 347 13 etot -8.3552E+01 mv 6 26 35 130 0 + 4 e 376 28 etot -8.3117E+01 mv 6 26 2 33 0 + 4 e 397 2 etot -8.3086E+01 mv 6 26 44 2 0 + 4 e 366 33 etot -7.3163E+01 mv 6 26 200 34 0 + 4 e 419 20 etot -8.4418E+01 mv 6 26 35 99 0 + 4 e 420 22 etot -7.5615E+01 mv 6 26 2 178 0 + 4 e 394 11 etot -7.8004E+01 mv 6 26 35 122 0 + 4 e 431 1 etot -8.0795E+01 mv 6 26 44 137 0 + 4 e 181 46 etot -7.5541E+01 mv 6 26 158 24 0 + 4 e 639 5 etot -7.9608E+01 mv 6 26 44 32 0 + 4 e 637 4 etot -8.5684E+01 mv 6 26 44 11 0 + 4 e 552 31 etot -7.8448E+01 mv 6 26 200 37 0 + 4 e 540 12 etot -8.3697E+01 mv 6 26 35 52 0 + 4 e 277 49 etot -8.2888E+01 mv 6 26 158 103 0 + -1 e 1 65 etot 1.3528E+20 mv 6 26 112 158 0 + 4 e 398 34 etot -7.9471E+01 mv 6 26 200 81 0 + -1 e 1 67 etot 1.3528E+20 mv 6 26 112 191 0 + 4 e 277 44 etot -7.4184E+01 mv 6 26 158 3 0 + 4 e 560 29 etot -8.2355E+01 mv 6 26 2 107 0 + 4 e 445 43 etot -8.0992E+01 mv 6 26 158 20 0 + 4 e 252 48 etot -8.4889E+01 mv 6 26 158 82 0 + 4 e 490 40 etot -8.3850E+01 mv 6 26 200 188 0 f 105 379.1 5.3 + 4 e 442 35 etot -8.2760E+01 mv 6 26 200 90 0 + 4 e 626 21 etot -7.7493E+01 mv 6 26 2 132 0 + 4 e 614 25 etot -7.9625E+01 mv 6 26 2 122 0 f 68 470.8 1.1 + 4 e 396 51 etot -8.3161E+01 mv 6 26 117 126 0 + 4 e 578 36 etot -8.5547E+01 mv 6 26 200 34 0 c 200 150.6 1.2 + 4 e 656 15 etot -8.3695E+01 mv 6 26 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-52 0 c 156 102.6 1.2 + 4 e 261 385 etot -8.4976E+01 mv 1 26 3 -112 0 + 4 e 132 404 etot -8.4396E+01 mv 0 26 200 0 0 +## N0 total= 21 close= 11 far= 0 %acc 52.4 +## N1 total= 99 close= 7 far= 2 %acc 9.1 +## N2 total= 100 close= 7 far= 6 %acc 13.0 +## N3 total= 0 close= 0 far= 0 %acc 0.0 +## N4 total= 0 close= 0 far= 0 %acc 0.0 +## N5 total= 0 close= 0 far= 0 %acc 0.0 +## N6 total= 200 close= 23 far= 13 %acc 18.0 +## N7 total= 0 close= 0 far= 0 %acc 0.0 +## N8 total= 0 close= 0 far= 0 %acc 0.0 +## N9 total= 0 close= 0 far= 0 %acc 0.0 +##N10 total= 0 close= 0 far= 0 %acc 0.0 +##N11 total= 0 close= 0 far= 0 %acc 0.0 +##N12 total= 0 close= 0 far= 0 %acc 0.0 +##N13 total= 0 close= 0 far= 0 %acc 0.0 +##N14 total= 0 close= 0 far= 0 %acc 0.0 +##N15 total= 0 close= 0 far= 0 %acc 0.0 +##N16 total= 0 close= 0 far= 0 %acc 0.0 +##N17 total= 0 close= 0 far= 0 %acc 0.0 +##N18 total= 0 close= 0 far= 0 %acc 0.0 + Time for refresh 27 0.45 + make_var : nseed= 20 ntry= 420 + Time for make trial 28 0.08 +Nonsetup time 58.20 sec, Eval/s = 62824.73 +Time for iter 28 2.05 sec, Eval/s = 63196.89 + UPDATING 420 + 4 e 514 396 etot -8.7956E+01 mv 1 26 199 -133 0 + 4 e 72 420 etot -8.1342E+01 mv 0 26 199 0 0 c 199 0.6 0.0 + 4 e 466 390 etot -6.9646E+01 mv 1 26 156 -195 0 + 4 e 436 395 etot -8.1556E+01 mv 1 26 6 -43 0 c 6 73.0 0.0 + 4 e 379 391 etot -8.0491E+01 mv 1 26 6 -118 0 + 4 e 126 407 etot -8.5719E+01 mv 0 26 112 0 0 c 112 1.0 0.0 + 4 e 447 397 etot -7.1908E+01 mv 1 26 199 -63 0 + 4 e 319 394 etot -7.9611E+01 mv 1 26 6 -128 0 + 4 e 649 367 etot -7.4806E+01 mv 1 26 40 -152 0 + 4 e 539 411 etot -8.3427E+01 mv 0 26 195 0 0 c 195 48.4 0.7 + 4 e 696 393 etot -8.3284E+01 mv 1 26 6 -42 0 c 6 243.2 1.7 + 4 e 155 409 etot -8.2911E+01 mv 0 26 169 0 0 + 4 e 135 412 etot -8.2461E+01 mv 0 26 126 0 0 c 126 1.0 0.0 + 4 e 106 416 etot -8.1602E+01 mv 0 26 11 0 0 c 11 0.3 0.0 + 4 e 103 408 etot -8.2910E+01 mv 0 26 31 0 0 c 31 1.0 0.0 + -1 e 1 6 etot 1.3528E+20 mv 6 27 89 32 0 + 4 e 518 392 etot -7.2061E+01 mv 1 26 6 -119 0 + 4 e 72 418 etot -8.1572E+01 mv 0 26 156 0 0 + 4 e 331 400 etot -7.5156E+01 mv 1 26 199 -152 0 + 4 e 150 406 etot -8.7488E+01 mv 0 26 117 0 0 + 4 e 580 382 etot -8.0721E+01 mv 1 26 3 -60 0 f 159 434.5 1.6 + 4 e 703 378 etot -7.6504E+01 mv 1 26 11 -56 0 + 4 e 122 417 etot -8.4914E+01 mv 0 26 3 0 0 c 3 0.8 0.0 + 4 e 485 384 etot -6.2219E+01 mv 1 26 3 -57 0 + 4 e 595 356 etot -8.3367E+01 mv 1 26 126 -135 0 c 126 113.0 0.9 + 4 e 134 403 etot -8.4424E+01 mv 0 26 2 0 0 + 4 e 94 410 etot -8.2960E+01 mv 0 26 94 0 0 + 4 e 122 413 etot -8.2019E+01 mv 0 26 130 0 0 + 4 e 127 414 etot -8.1704E+01 mv 0 26 40 0 0 c 40 1.3 0.0 + 4 e 90 419 etot -8.1529E+01 mv 0 26 6 0 0 + 4 e 452 383 etot -7.8400E+01 mv 1 26 3 -74 0 + 4 e 85 415 etot -8.4327E+01 mv 0 26 14 0 0 c 14 0.6 0.0 + 4 e 186 5 etot -7.8378E+01 mv 6 27 89 193 0 + 4 e 201 18 etot -8.3412E+01 mv 6 27 198 143 0 + 4 e 184 25 etot -7.5922E+01 mv 6 27 152 26 0 + 4 e 203 12 etot -6.6408E+01 mv 6 27 198 167 0 + -1 e 1 35 etot 1.3528E+20 mv 6 27 192 161 0 + 4 e 215 30 etot -6.9938E+01 mv 6 27 152 189 0 + 4 e 213 19 etot -8.4906E+01 mv 6 27 198 98 0 c 198 3.4 0.0 + 4 e 221 4 etot -8.1622E+01 mv 6 27 89 167 0 c 167 29.9 0.1 + 4 e 241 7 etot -7.6991E+01 mv 6 27 89 93 0 + 4 e 246 28 etot -7.6238E+01 mv 6 27 152 48 0 + 4 e 275 3 etot -7.3275E+01 mv 6 27 89 58 0 + 4 e 269 15 etot -7.2259E+01 mv 6 27 198 115 0 + 4 e 342 31 etot -7.7963E+01 mv 6 27 192 140 0 + 4 e 334 10 etot -6.9730E+01 mv 6 27 89 22 0 + 4 e 405 16 etot -8.4905E+01 mv 6 27 198 115 0 + 4 e 363 21 etot -8.0919E+01 mv 6 27 152 110 0 + 4 e 330 24 etot -7.6298E+01 mv 6 27 152 170 0 + 4 e 386 8 etot -6.8969E+01 mv 6 27 89 4 0 + 4 e 375 1 etot -8.1433E+01 mv 6 27 89 131 0 + 4 e 253 33 etot -8.3691E+01 mv 6 27 192 144 0 + 4 e 81 45 etot -7.9329E+01 mv 6 27 70 118 0 c 118 0.5 0.0 + 4 e 207 38 etot -6.8783E+01 mv 6 27 192 65 0 + 4 e 414 13 etot -8.5998E+01 mv 6 27 198 76 0 + 4 e 427 32 etot -7.7026E+01 mv 6 27 192 147 0 + 4 e 240 41 etot -7.9805E+01 mv 6 27 70 68 0 c 68 36.5 0.2 + 4 e 426 2 etot -7.7553E+01 mv 6 27 89 13 0 + 4 e 216 27 etot -8.6319E+01 mv 6 27 152 80 0 c 152 3.8 0.0 + 4 e 454 29 etot -8.5852E+01 mv 6 27 152 35 0 + 4 e 240 39 etot -8.1147E+01 mv 6 27 192 46 0 + 4 e 460 9 etot -8.1432E+01 mv 6 27 89 5 0 + 4 e 458 11 etot -8.1528E+01 mv 6 27 198 141 0 + 4 e 202 42 etot -6.9095E+01 mv 6 27 70 174 0 + -1 e 1 64 etot 1.3528E+20 mv 6 27 117 131 0 + 4 e 284 36 etot -8.6652E+01 mv 6 27 192 13 0 c 192 5.8 0.0 + 4 e 174 52 etot -8.4022E+01 mv 6 27 200 132 0 + 4 e 420 40 etot -7.7043E+01 mv 6 27 192 96 0 + 4 e 510 14 etot -8.3584E+01 mv 6 27 198 38 0 + 4 e 307 37 etot -7.6952E+01 mv 6 27 192 123 0 + 4 e 168 50 etot -7.4234E+01 mv 6 27 70 129 0 + 4 e 246 44 etot -7.5905E+01 mv 6 27 70 186 0 + 4 e 323 47 etot -7.5682E+01 mv 6 27 70 189 0 + 4 e 589 22 etot -7.5430E+01 mv 6 27 152 20 0 + 4 e 654 23 etot -8.6107E+01 mv 6 27 152 57 0 + -1 e 1 75 etot 8.0507E+26 mv 6 27 147 26 0 + 4 e 297 46 etot -8.5478E+01 mv 6 27 70 160 0 + 4 e 434 34 etot -8.2111E+01 mv 6 27 192 139 0 + 4 e 230 56 etot -7.2615E+01 mv 6 27 200 27 0 + 4 e 341 57 etot -7.8738E+01 mv 6 27 200 10 0 + 4 e 215 63 etot -8.8393E+01 mv 6 27 117 48 0 c 117 1.4 0.0 + 4 e 325 55 etot -8.2469E+01 mv 6 27 200 178 0 + 4 e 202 68 etot -8.8096E+01 mv 6 27 117 162 0 + -1 e 1 83 etot 1.3528E+20 mv 6 27 157 44 0 + 4 e 360 49 etot -7.3157E+01 mv 6 27 70 105 0 + 4 e 483 43 etot -8.1241E+01 mv 6 27 70 37 0 + 4 e 257 66 etot -8.8221E+01 mv 6 27 117 168 0 + 4 e 383 48 etot -8.3880E+01 mv 6 27 70 175 0 + 4 e 294 54 etot -7.2771E+01 mv 6 27 200 90 0 + 4 e 370 58 etot -7.8422E+01 mv 6 27 200 62 0 + 4 e 698 17 etot -8.3506E+01 mv 6 27 198 186 0 + 4 e 207 73 etot -8.1233E+01 mv 6 27 147 146 0 c 146 3.4 0.0 + 4 e 240 72 etot -8.3540E+01 mv 6 27 147 200 0 + 4 e 695 20 etot -7.9292E+01 mv 6 27 198 137 0 f 51 465.2 0.2 + 4 e 128 80 etot -6.7009E+01 mv 6 27 147 158 0 + 4 e 303 61 etot -8.8393E+01 mv 6 27 117 186 0 + 4 e 248 65 etot -8.8096E+01 mv 6 27 117 52 0 + 4 e 336 69 etot -8.2980E+01 mv 6 27 117 47 0 + 4 e 290 71 etot -8.4425E+01 mv 6 27 147 155 0 c 147 119.2 0.6 + 4 e 383 67 etot -8.5447E+01 mv 6 27 117 149 0 c 149 264.1 3.1 + -1 e 1 100 etot 1.3528E+20 mv 6 27 38 142 0 + 4 e 381 53 etot -8.8085E+01 mv 6 27 200 101 0 + 4 e 317 74 etot -8.2913E+01 mv 6 27 147 120 0 + 4 e 214 78 etot -8.4110E+01 mv 6 27 147 158 0 + 8 e 67 98 etot -6.3989E+01 mv 6 27 38 112 0 + 4 e 177 90 etot -6.7428E+01 mv 6 27 157 38 0 + 4 e 227 84 etot -8.5434E+01 mv 6 27 157 134 0 + 4 e 462 62 etot -8.0346E+01 mv 6 27 117 199 0 + 4 e 233 87 etot -8.1033E+01 mv 6 27 157 119 0 + 4 e 336 76 etot -7.6408E+01 mv 6 27 147 88 0 + 4 e 244 93 etot -8.1716E+01 mv 6 27 38 151 0 + 4 e 458 60 etot -8.5548E+01 mv 6 27 200 179 0 c 200 5.7 0.0 + 4 e 349 81 etot -7.9771E+01 mv 6 27 157 184 0 + 4 e 264 94 etot -8.2668E+01 mv 6 27 38 166 0 + 4 e 248 59 etot -7.9697E+01 mv 6 27 200 126 0 + -1 e 1 115 etot 1.3528E+20 mv 6 27 156 139 0 + -1 e 1 116 etot 1.3528E+20 mv 6 27 156 163 0 + 4 e 297 92 etot -7.6858E+01 mv 6 27 38 25 0 + -1 e 1 118 etot 1.3528E+20 mv 6 27 156 88 0 + 4 e 434 77 etot -8.5257E+01 mv 6 27 147 101 0 c 2 266.2 0.3 + 4 e 268 96 etot -7.9437E+01 mv 6 27 38 103 0 + 4 e 385 86 etot -8.1048E+01 mv 6 27 157 193 0 + 4 e 795 51 etot -8.1626E+01 mv 6 27 200 124 0 + 4 e 281 99 etot -8.3265E+01 mv 6 27 38 200 0 c 15 225.3 3.7 + 4 e 275 89 etot -8.1862E+01 mv 6 27 157 128 0 f 190 376.9 2.7 + -1 e 1 125 etot 3.3983E+22 mv 6 27 155 159 0 + 4 e 240 106 etot -8.3067E+01 mv 6 27 69 164 0 c 69 5.3 0.0 + 4 e 464 85 etot -8.3383E+01 mv 6 27 157 107 0 c 157 2.5 0.0 + 4 e 235 109 etot -8.4570E+01 mv 6 27 69 189 0 + 4 e 510 26 etot -8.1419E+01 mv 6 27 152 80 0 + 4 e 263 107 etot -7.9485E+01 mv 6 27 69 51 0 f 81 416.6 0.3 + 4 e 164 114 etot -6.5565E+01 mv 6 27 156 104 0 + 4 e 283 108 etot -6.5548E+01 mv 6 27 69 16 0 + 4 e 338 104 etot -7.7977E+01 mv 6 27 69 73 0 + 4 e 531 88 etot -8.5154E+01 mv 6 27 157 123 0 + 4 e 402 79 etot -7.2910E+01 mv 6 27 147 81 0 + 4 e 478 95 etot -8.3261E+01 mv 6 27 38 3 0 c 38 26.0 0.1 + 4 e 251 113 etot -8.4331E+01 mv 6 27 156 101 0 + -1 e 1 138 etot 1.3528E+20 mv 6 27 130 45 0 + -1 e 1 139 etot 1.3528E+20 mv 6 27 130 74 0 + 4 e 400 105 etot -7.8576E+01 mv 6 27 69 162 0 + 4 e 610 82 etot -8.2021E+01 mv 6 27 157 186 0 c 28 239.6 2.6 + 4 e 329 110 etot -7.4151E+01 mv 6 27 69 148 0 + 4 e 435 103 etot -8.2323E+01 mv 6 27 69 178 0 f 61 407.4 3.1 + -1 e 1 143 etot 1.3528E+20 mv 6 27 5 108 0 + 4 e 13 141 etot -8.6000E+01 mv 6 27 5 35 0 c 35 0.0 0.0 + 4 e 295 111 etot -7.6139E+01 mv 6 27 156 140 0 + 4 e 126 129 etot -6.1183E+01 mv 6 27 155 152 0 + 4 e 468 101 etot -8.3066E+01 mv 6 27 69 32 0 + 4 e 248 120 etot -7.2889E+01 mv 6 27 156 110 0 + 4 e 164 128 etot -8.3502E+01 mv 6 27 155 83 0 c 83 1.9 0.0 + 4 e 258 122 etot -7.5177E+01 mv 6 27 155 49 0 + 4 e 605 91 etot -7.8883E+01 mv 6 27 38 144 0 + -1 e 1 153 etot 1.3528E+20 mv 6 27 47 5 0 + 4 e 375 119 etot -8.6186E+01 mv 6 27 156 176 0 c 176 4.9 0.0 + 4 e 390 102 etot -7.8052E+01 mv 6 27 69 33 0 + 4 e 176 135 etot -8.3185E+01 mv 6 27 130 28 0 c 130 10.3 0.0 + 4 e 591 70 etot -8.1349E+01 mv 6 27 117 73 0 f 99 371.7 2.1 + 4 e 289 127 etot -7.9067E+01 mv 6 27 155 27 0 + 4 e 369 121 etot -8.2875E+01 mv 6 27 155 136 0 + 4 e 356 124 etot -7.7345E+01 mv 6 27 155 34 0 + 4 e 321 112 etot -7.3408E+01 mv 6 27 156 172 0 + 4 e 414 97 etot -8.6788E+01 mv 6 27 38 189 0 c 38 186.7 3.5 + 4 e 291 132 etot -7.1510E+01 mv 6 27 130 16 0 + -1 e 1 164 etot 1.3528E+20 mv 6 27 78 64 0 + 4 e 192 144 etot -8.2477E+01 mv 6 27 5 142 0 + 4 e 180 149 etot -8.1910E+01 mv 6 27 5 175 0 c 175 47.8 1.4 + -1 e 1 167 etot 1.3528E+20 mv 6 27 78 63 0 + -1 e 1 168 etot 1.3528E+20 mv 6 27 78 97 0 + 4 e 218 140 etot -8.3149E+01 mv 6 27 130 76 0 + 4 e 282 134 etot -8.3148E+01 mv 6 27 130 181 0 + 4 e 190 136 etot -7.5088E+01 mv 6 27 130 179 0 + 4 e 299 126 etot -8.3620E+01 mv 6 27 155 89 0 + 4 e 474 123 etot -7.4703E+01 mv 6 27 155 142 0 + 4 e 357 133 etot -8.1652E+01 mv 6 27 130 188 0 + 4 e 291 146 etot -8.2502E+01 mv 6 27 5 109 0 c 5 3.6 0.0 + 4 e 169 159 etot -7.3823E+01 mv 6 27 47 130 0 + 4 e 290 151 etot -8.2357E+01 mv 6 27 47 125 0 + 4 e 198 157 etot -7.5899E+01 mv 6 27 47 30 0 + 4 e 143 170 etot -6.8321E+01 mv 6 27 78 138 0 + 4 e 361 148 etot -8.2501E+01 mv 6 27 5 60 0 + -1 e 1 181 etot 1.3528E+20 mv 6 27 10 37 0 + -1 e 1 182 etot 1.3528E+20 mv 6 27 10 36 0 + 4 e 358 152 etot -7.3995E+01 mv 6 27 47 181 0 + 4 e 428 145 etot -8.1302E+01 mv 6 27 5 134 0 + 4 e 468 137 etot -7.8386E+01 mv 6 27 130 181 0 + 4 e 225 171 etot -7.4728E+01 mv 6 27 196 28 0 + 4 e 204 175 etot -8.2753E+01 mv 6 27 196 115 0 c 196 190.5 0.4 + 4 e 595 131 etot -8.2640E+01 mv 6 27 130 106 0 f 51 367.7 3.3 + 4 e 386 155 etot -7.5279E+01 mv 6 27 47 5 0 + 4 e 514 147 etot -8.5210E+01 mv 6 27 5 22 0 c 22 254.9 0.1 + 4 e 393 160 etot -8.2494E+01 mv 6 27 47 61 0 + -1 e 1 192 etot 1.3528E+20 mv 6 27 146 28 0 + 4 e 511 154 etot -7.5337E+01 mv 6 27 47 170 0 + 4 e 299 156 etot -8.2057E+01 mv 6 27 47 87 0 + 4 e 371 165 etot -7.7411E+01 mv 6 27 78 27 0 + 4 e 380 169 etot -7.9358E+01 mv 6 27 78 17 0 c 17 43.8 0.0 + 4 e 256 179 etot -7.4380E+01 mv 6 27 196 125 0 + 4 e 268 177 etot -8.2747E+01 mv 6 27 196 137 0 + 4 e 243 173 etot -8.2747E+01 mv 6 27 196 35 0 + 4 e 630 150 etot -8.2451E+01 mv 6 27 5 93 0 + -1 e 1 201 etot 1.3528E+20 mv 2 27 89 -50 0 + 4 e 454 166 etot -8.1912E+01 mv 6 27 78 52 0 c 78 3.0 0.0 + 4 e 502 161 etot -7.8089E+01 mv 6 27 78 42 0 + 4 e 250 185 etot -8.1256E+01 mv 6 27 10 118 0 c 10 3.3 0.0 + 4 e 385 176 etot -7.7816E+01 mv 6 27 196 85 0 + 4 e 738 142 etot -8.2477E+01 mv 6 27 5 15 0 + 4 e 381 162 etot -8.1807E+01 mv 6 27 78 41 0 + 4 e 274 187 etot -7.5692E+01 mv 6 27 10 81 0 + 4 e 423 178 etot -8.1937E+01 mv 6 27 196 9 0 c 91 318.4 2.3 + 4 e 295 186 etot -8.0606E+01 mv 6 27 10 89 0 c 89 12.1 0.2 + 4 e 352 184 etot -8.0627E+01 mv 6 27 10 194 0 + -1 e 1 212 etot 1.3528E+20 mv 2 27 152 -126 0 + -1 e 1 213 etot 1.3528E+20 mv 2 27 152 -2 0 + 4 e 389 183 etot -7.9021E+01 mv 6 27 10 193 0 + 4 e 426 180 etot -8.4815E+01 mv 6 27 196 144 0 + 4 e 184 198 etot -8.1233E+01 mv 6 27 146 187 0 + 4 e 394 158 etot -8.3158E+01 mv 6 27 47 78 0 + 4 e 295 190 etot -8.1255E+01 mv 6 27 10 14 0 + 4 e 354 188 etot -8.1918E+01 mv 6 27 10 28 0 c 10 167.1 0.7 + 4 e 313 191 etot -7.8137E+01 mv 6 27 146 103 0 + 4 e 285 194 etot -8.1233E+01 mv 6 27 146 128 0 + 4 e 224 202 etot -5.6837E+01 mv 2 27 89 -187 0 + 4 e 331 197 etot -6.9432E+01 mv 6 27 146 48 0 + 4 e 233 195 etot -6.7101E+01 mv 6 27 146 5 0 + 4 e 301 199 etot -7.4537E+01 mv 6 27 146 153 0 + 4 e 566 174 etot -8.4755E+01 mv 6 27 196 6 0 f 193 379.5 5.5 + -1 e 1 227 etot 1.3528E+20 mv 2 27 200 -58 0 + 4 e 486 172 etot -8.3392E+01 mv 6 27 196 186 0 + 4 e 406 193 etot -8.0977E+01 mv 6 27 146 127 0 + 4 e 362 130 etot -7.6231E+01 mv 6 27 155 70 0 + 4 e 457 189 etot -7.3240E+01 mv 6 27 10 6 0 + -1 e 1 231 etot 1.3528E+20 mv 2 27 117 -53 0 + -1 e 1 233 etot 1.3528E+20 mv 2 27 117 -125 0 + 4 e 246 200 etot -7.7961E+01 mv 6 27 146 177 0 + 4 e 279 205 etot 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etot -4.5463E+01 mv 2 27 198 -189 0 + 4 e 155 247 etot -6.5696E+01 mv 2 27 38 -185 0 + 4 e 264 239 etot -7.1030E+01 mv 2 27 147 -93 0 + -1 e 1 258 etot 1.3528E+20 mv 2 27 156 -53 0 + 4 e 433 223 etot -7.7642E+01 mv 2 27 70 -17 0 + -1 e 1 260 etot 1.3528E+20 mv 2 27 156 -109 0 + 4 e 662 203 etot -5.6616E+01 mv 2 27 89 -74 0 + 4 e 251 229 etot -5.8388E+01 mv 2 27 200 -80 0 + 4 e 264 245 etot -8.1852E+01 mv 2 27 157 -147 0 + 4 e 292 243 etot -6.5989E+01 mv 2 27 157 -109 0 + 4 e 294 241 etot -6.9379E+01 mv 2 27 157 -100 0 + 4 e 296 225 etot -8.3882E+01 mv 2 27 70 -18 0 + 4 e 709 163 etot -7.6716E+01 mv 6 27 78 192 0 + 4 e 385 232 etot -6.2459E+01 mv 2 27 117 -93 0 + 4 e 473 222 etot -6.9877E+01 mv 2 27 70 -172 0 + 4 e 564 217 etot -7.5243E+01 mv 2 27 192 -187 0 + 4 e 177 251 etot -8.3067E+01 mv 2 27 69 -15 0 c 69 2.9 0.0 + 4 e 384 237 etot -6.6741E+01 mv 2 27 147 -45 0 + 4 e 541 220 etot -7.9710E+01 mv 2 27 192 -156 0 + 4 e 685 206 etot -7.5918E+01 mv 2 27 198 -178 0 + 4 e 304 246 etot 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-114 0 + 4 e 443 244 etot -7.6898E+01 mv 2 27 157 -6 0 + 4 e 282 291 etot -8.1255E+01 mv 2 27 10 -192 0 + 4 e 597 275 etot -8.2053E+01 mv 2 27 5 -156 0 + 4 e 506 279 etot -8.1319E+01 mv 2 27 47 -6 0 + 4 e 312 294 etot -6.3944E+01 mv 2 27 10 -52 0 + 4 e 228 296 etot -7.2823E+01 mv 2 27 146 -196 0 + 4 e 328 299 etot -7.2838E+01 mv 2 27 146 -97 0 + -1 e 1 323 etot 1.3528E+20 mv 1 27 70 -50 0 + 4 e 326 304 etot -7.6381E+01 mv 1 27 89 -13 0 + 4 e 524 282 etot -6.6162E+01 mv 2 27 78 -49 0 + 4 e 229 301 etot -8.0376E+01 mv 1 27 89 -43 0 + 4 e 263 310 etot -8.4906E+01 mv 1 27 198 -29 0 c 198 1.6 0.0 + 4 e 244 305 etot -6.6585E+01 mv 1 27 89 -13 0 + 4 e 473 293 etot -7.6681E+01 mv 2 27 10 -45 0 + 4 e 503 289 etot -7.4133E+01 mv 2 27 196 -152 0 + 4 e 564 267 etot -6.6466E+01 mv 2 27 130 -95 0 + 4 e 258 316 etot -8.5585E+01 mv 1 27 192 -68 0 + 4 e 636 283 etot -7.6334E+01 mv 2 27 78 -141 0 + 4 e 434 284 etot -7.9782E+01 mv 2 27 78 -80 0 + 4 e 536 292 etot -7.5473E+01 mv 2 27 10 -92 0 + 4 e 499 300 etot -6.1813E+01 mv 2 27 146 -138 0 + 4 e 405 309 etot -8.3377E+01 mv 1 27 198 -79 0 + -1 e 1 338 etot 1.3528E+20 mv 1 27 147 -67 0 + -1 e 1 339 etot 1.3528E+20 mv 1 27 147 -137 0 + 4 e 497 303 etot -8.2729E+01 mv 1 27 89 -11 0 + 4 e 389 311 etot -8.3780E+01 mv 1 27 152 -37 0 + 4 e 262 321 etot -8.5478E+01 mv 1 27 70 -75 0 c 70 2.3 0.0 + 4 e 382 313 etot -7.5273E+01 mv 1 27 152 -106 0 + 4 e 575 298 etot -7.3602E+01 mv 2 27 146 -99 0 + 4 e 211 325 etot -8.5478E+01 mv 1 27 70 -2 0 c 70 1.6 0.0 + 4 e 307 320 etot -8.3376E+01 mv 1 27 192 -39 0 + 4 e 448 315 etot -7.8095E+01 mv 1 27 152 -15 0 + 4 e 290 324 etot -6.7261E+01 mv 1 27 70 -88 0 + 4 e 400 319 etot -7.2378E+01 mv 1 27 192 -145 0 + 4 e 167 336 etot -7.2654E+01 mv 1 27 147 -31 0 + 4 e 597 307 etot -8.5670E+01 mv 1 27 198 -87 0 c 92 157.1 2.1 + 4 e 422 318 etot -8.3680E+01 mv 1 27 192 -91 0 + 4 e 143 340 etot -7.8236E+01 mv 1 27 147 -33 0 + 4 e 607 308 etot -8.5032E+01 mv 1 27 198 -172 0 c 198 56.3 0.1 + 4 e 266 330 etot 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0 + 4 e 585 322 etot -7.6268E+01 mv 1 27 70 -126 0 + 4 e 509 352 etot -7.3471E+01 mv 1 27 69 -142 0 + 4 e 522 353 etot -7.8325E+01 mv 1 27 69 -31 0 + 4 e 579 348 etot -8.3293E+01 mv 1 27 38 -41 0 + 4 e 741 333 etot -8.3484E+01 mv 1 27 117 -154 0 + 4 e 361 369 etot -7.2550E+01 mv 1 27 130 -23 0 + 4 e 125 390 etot -8.2009E+01 mv 1 27 196 -70 0 + 4 e 132 393 etot -7.3021E+01 mv 1 27 10 -117 0 + 4 e 467 361 etot -8.1813E+01 mv 1 27 155 -22 0 + 4 e 317 364 etot -6.9717E+01 mv 1 27 155 -153 0 + 4 e 319 380 etot -7.0910E+01 mv 1 27 47 -125 0 + 4 e 376 376 etot -7.7734E+01 mv 1 27 47 -85 0 + 4 e 257 386 etot -8.0631E+01 mv 1 27 196 -90 0 + 4 e 406 374 etot -6.8829E+01 mv 1 27 5 -122 0 + 4 e 172 397 etot -7.9827E+01 mv 1 27 146 -26 0 + 4 e 390 362 etot -7.5297E+01 mv 1 27 155 -197 0 + 4 e 447 373 etot -7.4506E+01 mv 1 27 5 -3 0 + 4 e 137 401 etot -8.0377E+01 mv 0 27 89 0 0 + 4 e 307 388 etot -6.5974E+01 mv 1 27 196 -162 0 + 4 e 242 394 etot -7.9653E+01 mv 1 27 10 -197 0 + 4 e 510 372 etot -7.6302E+01 mv 1 27 5 -148 0 + 4 e 90 407 etot -8.8394E+01 mv 0 27 117 0 0 c 117 1.1 0.0 + 4 e 382 382 etot -8.2797E+01 mv 1 27 78 -97 0 c 78 201.0 0.9 + 4 e 133 404 etot -8.6653E+01 mv 0 27 192 0 0 c 192 2.2 0.0 + 4 e 176 402 etot -8.4907E+01 mv 0 27 198 0 0 +## N0 total= 20 close= 11 far= 0 %acc 55.0 +## N1 total= 100 close= 13 far= 2 %acc 15.0 +## N2 total= 100 close= 5 far= 0 %acc 5.0 +## N3 total= 0 close= 0 far= 0 %acc 0.0 +## N4 total= 0 close= 0 far= 0 %acc 0.0 +## N5 total= 0 close= 0 far= 0 %acc 0.0 +## N6 total= 200 close= 32 far= 7 %acc 19.5 +## N7 total= 0 close= 0 far= 0 %acc 0.0 +## N8 total= 0 close= 0 far= 0 %acc 0.0 +## N9 total= 0 close= 0 far= 0 %acc 0.0 +##N10 total= 0 close= 0 far= 0 %acc 0.0 +##N11 total= 0 close= 0 far= 0 %acc 0.0 +##N12 total= 0 close= 0 far= 0 %acc 0.0 +##N13 total= 0 close= 0 far= 0 %acc 0.0 +##N14 total= 0 close= 0 far= 0 %acc 0.0 +##N15 total= 0 close= 0 far= 0 %acc 0.0 +##N16 total= 0 close= 0 far= 0 %acc 0.0 +##N17 total= 0 close= 0 far= 0 %acc 0.0 +##N18 total= 0 close= 0 far= 0 %acc 0.0 + Time for refresh 28 0.26 + make_var : nseed= 20 ntry= 420 + Time for make trial 29 0.09 +Nonsetup time 59.96 sec, Eval/s = 62979.72 +Time for iter 29 1.76 sec, Eval/s = 68099.41 + UPDATING 420 + 4 e 580 371 etot -8.5427E+01 mv 1 27 5 -25 0 c 5 231.0 2.9 + 4 e 19 416 etot -8.2357E+01 mv 0 27 47 0 0 c 47 0.0 0.0 + 4 e 109 413 etot -8.2813E+01 mv 0 27 155 0 0 c 155 1.5 0.0 + 4 e 527 398 etot -7.0957E+01 mv 1 27 146 -9 0 + 4 e 84 420 etot -8.1233E+01 mv 0 27 146 0 0 c 146 1.0 0.0 + 4 e 111 419 etot -8.1256E+01 mv 0 27 10 0 0 + 4 e 81 412 etot -8.2815E+01 mv 0 27 156 0 0 c 156 1.0 0.0 + 4 e 104 414 etot -8.3149E+01 mv 0 27 130 0 0 + 4 e 130 415 etot -8.2503E+01 mv 0 27 5 0 0 + 4 e 105 418 etot -8.2396E+01 mv 0 27 196 0 0 + 4 e 151 403 etot -8.6319E+01 mv 0 27 152 0 0 c 152 1.5 0.0 + 4 e 162 417 etot -8.1914E+01 mv 0 27 78 0 0 + 4 e 143 408 etot -8.3831E+01 mv 0 27 147 0 0 + 4 e 615 384 etot -7.9731E+01 mv 1 27 78 -103 0 + 4 e 276 399 etot -7.5209E+01 mv 1 27 146 -47 0 + 4 e 281 392 etot -7.6681E+01 mv 1 27 10 -15 0 + 4 e 134 406 etot -8.5550E+01 mv 0 27 200 0 0 c 200 1.2 0.0 + 4 e 345 387 etot -7.4879E+01 mv 1 27 196 -185 0 + 4 e 437 389 etot -8.2394E+01 mv 1 27 196 -88 0 + -1 e 1 11 etot 1.3528E+20 mv 6 28 22 117 0 + -1 e 1 12 etot 5.7938E+28 mv 6 28 22 132 0 + 4 e 206 400 etot -6.6782E+01 mv 1 27 146 -126 0 + 4 e 183 409 etot -8.3384E+01 mv 0 27 157 0 0 c 157 2.8 0.0 + 4 e 501 381 etot -8.1912E+01 mv 1 27 78 -29 0 + 4 e 95 410 etot -8.3171E+01 mv 0 27 38 0 0 + 4 e 118 405 etot -8.5478E+01 mv 0 27 70 0 0 c 70 0.7 0.0 + 4 e 596 385 etot -6.8927E+01 mv 1 27 78 -81 0 + 4 e 263 391 etot -8.1255E+01 mv 1 27 10 -17 0 + 4 e 467 379 etot -8.2355E+01 mv 1 27 47 -12 0 + 4 e 340 396 etot -7.4323E+01 mv 1 27 146 -53 0 + 4 e 138 411 etot -8.3068E+01 mv 0 27 69 0 0 + 4 e 372 395 etot -7.0193E+01 mv 1 27 10 -33 0 + 4 e 427 375 etot -7.4121E+01 mv 1 27 5 -124 0 + -1 e 1 26 etot 1.3528E+20 mv 6 28 176 44 0 + -1 e 1 30 etot 1.3528E+20 mv 6 28 176 34 0 + -1 e 1 35 etot 1.3528E+20 mv 6 28 92 13 0 + 4 e 132 9 etot -8.3849E+01 mv 6 28 137 80 0 c 80 1.2 0.0 + 4 e 177 17 etot -7.1423E+01 mv 6 28 22 49 0 + -1 e 1 38 etot 1.3528E+20 mv 6 28 92 117 0 + 4 e 205 2 etot -8.1031E+01 mv 6 28 137 75 0 c 137 2.5 0.0 + 4 e 211 1 etot -7.7002E+01 mv 6 28 137 109 0 + 4 e 214 7 etot -8.4334E+01 mv 6 28 137 53 0 c 53 2.5 0.0 + 4 e 211 22 etot -8.6186E+01 mv 6 28 176 47 0 c 176 2.5 0.0 + 4 e 242 34 etot -6.9790E+01 mv 6 28 92 15 0 + 4 e 255 32 etot -8.0827E+01 mv 6 28 92 26 0 c 26 212.3 1.0 + 4 e 268 13 etot -6.9702E+01 mv 6 28 22 101 0 + 4 e 267 14 etot -7.8137E+01 mv 6 28 22 2 0 + 4 e 279 16 etot -7.0439E+01 mv 6 28 22 44 0 + 4 e 278 8 etot -8.1030E+01 mv 6 28 137 2 0 + 4 e 329 15 etot -7.2571E+01 mv 6 28 22 18 0 + -1 e 1 50 etot 1.3528E+20 mv 6 28 38 55 0 + 4 e 317 10 etot -8.4159E+01 mv 6 28 137 11 0 c 137 268.7 3.1 + 4 e 353 31 etot -7.3943E+01 mv 6 28 92 36 0 + 4 e 327 24 etot -8.3984E+01 mv 6 28 176 59 0 + 4 e 339 25 etot -8.7109E+01 mv 6 28 176 92 0 c 92 41.8 1.4 + 4 e 400 4 etot -7.9949E+01 mv 6 28 137 7 0 f 17 399.1 0.6 + 4 e 366 33 etot -7.0834E+01 mv 6 28 92 166 0 + 4 e 420 5 etot -7.9273E+01 mv 6 28 137 157 0 + -1 e 1 58 etot 1.3528E+20 mv 6 28 193 124 0 + 4 e 192 39 etot -8.4056E+01 mv 6 28 92 198 0 + 4 e 381 29 etot -8.2323E+01 mv 6 28 176 61 0 c 61 4.9 0.0 + 4 e 391 27 etot -8.6185E+01 mv 6 28 176 183 0 + -1 e 1 62 etot 1.3528E+20 mv 6 28 147 87 0 + 4 e 390 21 etot -7.3828E+01 mv 6 28 176 35 0 + 4 e 63 54 etot -8.0936E+01 mv 6 28 193 108 0 c 108 0.1 0.0 + 4 e 185 41 etot -6.6173E+01 mv 6 28 38 8 0 + 4 e 377 3 etot -8.0295E+01 mv 6 28 137 176 0 + 4 e 434 20 etot -8.1434E+01 mv 6 28 22 94 0 + 4 e 437 28 etot -7.4044E+01 mv 6 28 176 139 0 + -1 e 1 68 etot 1.3528E+20 mv 6 28 147 134 0 + 4 e 226 43 etot -7.9468E+01 mv 6 28 38 42 0 + 4 e 544 6 etot -8.2508E+01 mv 6 28 137 147 0 + 4 e 94 63 etot -8.1536E+01 mv 6 28 147 173 0 c 173 0.3 0.0 + 4 e 469 18 etot -8.2424E+01 mv 6 28 22 178 0 + 4 e 193 56 etot -8.1380E+01 mv 6 28 193 92 0 + 4 e 469 19 etot -8.3272E+01 mv 6 28 22 63 0 + 4 e 519 23 etot -8.9058E+01 mv 6 28 176 53 0 + 4 e 284 40 etot -8.5748E+01 mv 6 28 92 41 0 + 4 e 160 57 etot -8.4729E+01 mv 6 28 193 199 0 + 4 e 209 52 etot -7.2921E+01 mv 6 28 193 1 0 + 4 e 102 67 etot -8.5794E+01 mv 6 28 147 132 0 c 132 1.0 0.0 + 4 e 528 36 etot -7.9074E+01 mv 6 28 92 165 0 + 4 e 494 42 etot -8.7045E+01 mv 6 28 38 119 0 c 38 16.4 0.3 + 4 e 298 59 etot -8.4756E+01 mv 6 28 193 90 0 c 193 3.4 0.0 + 4 e 167 70 etot -8.6791E+01 mv 6 28 147 38 0 + 4 e 186 60 etot -6.5750E+01 mv 6 28 193 29 0 + 4 e 321 49 etot -7.8853E+01 mv 6 28 38 156 0 + 4 e 482 37 etot -8.6296E+01 mv 6 28 92 18 0 + 4 e 320 45 etot -8.5862E+01 mv 6 28 38 141 0 + 4 e 405 47 etot -8.0983E+01 mv 6 28 38 171 0 + 4 e 317 48 etot -6.3246E+01 mv 6 28 38 78 0 + 4 e 419 46 etot -8.2208E+01 mv 6 28 38 177 0 + 4 e 177 75 etot -8.4712E+01 mv 6 28 194 118 0 + 4 e 197 66 etot -8.4426E+01 mv 6 28 147 98 0 c 147 2.2 0.0 + 4 e 256 72 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0 close= 0 far= 0 %acc 0.0 + Time for refresh 29 0.30 + make_var : nseed= 20 ntry= 420 + Time for make trial 30 0.07 +Nonsetup time 61.77 sec, Eval/s = 63120.20 +Time for iter 30 1.81 sec, Eval/s = 67767.17 + UPDATING 420 + 4 e 118 414 etot -8.2024E+01 mv 0 28 28 0 0 c 28 1.5 0.0 + 4 e 107 417 etot -8.2883E+01 mv 0 28 41 0 0 + 4 e 319 391 etot -8.1011E+01 mv 1 28 173 -196 0 + 4 e 532 397 etot -7.8999E+01 mv 1 28 177 -184 0 + 4 e 329 400 etot -7.7396E+01 mv 1 28 177 -151 0 + 4 e 77 418 etot -8.1863E+01 mv 0 28 190 0 0 c 45 1.3 0.0 + 4 e 467 382 etot -8.3873E+01 mv 1 28 41 -112 0 + 4 e 160 404 etot -8.5673E+01 mv 0 28 92 0 0 + 4 e 167 405 etot -8.6791E+01 mv 0 28 38 0 0 + -1 e 1 1 etot 1.3528E+20 mv 6 29 104 58 0 + 4 e 175 413 etot -8.3904E+01 mv 0 28 62 0 0 + 4 e 486 362 etot -7.4495E+01 mv 1 28 62 -81 0 + 4 e 94 419 etot -8.1536E+01 mv 0 28 173 0 0 + -1 e 1 4 etot 1.3528E+20 mv 6 29 104 78 0 + 4 e 104 409 etot -8.8555E+01 mv 0 28 86 0 0 c 86 0.9 0.0 + 4 e 523 390 etot -8.5691E+01 mv 1 28 190 -2 0 c 45 181.5 3.8 + 4 e 673 361 etot -8.1287E+01 mv 1 28 62 -143 0 + 4 e 136 411 etot -8.5380E+01 mv 0 28 162 0 0 + 4 e 125 410 etot -8.3777E+01 mv 0 28 69 0 0 c 69 2.7 0.0 + 4 e 542 381 etot -8.2882E+01 mv 1 28 41 -136 0 + 4 e 629 393 etot -5.2695E+01 mv 1 28 173 -62 0 + -1 e 1 14 etot 1.3528E+20 mv 6 29 92 84 0 + -1 e 1 16 etot 1.3528E+20 mv 6 29 92 66 0 + 4 e 535 372 etot -7.7083E+01 mv 1 28 37 -22 0 + 4 e 243 396 etot -6.8375E+01 mv 1 28 177 -149 0 + 4 e 198 412 etot -8.3286E+01 mv 0 28 6 0 0 + 4 e 122 420 etot -8.1252E+01 mv 0 28 177 0 0 c 177 1.2 0.0 + 4 e 83 415 etot -8.1895E+01 mv 0 28 37 0 0 c 37 0.9 0.0 + -1 e 1 17 etot 1.3528E+20 mv 6 29 92 117 0 + 4 e 148 416 etot -8.3852E+01 mv 0 28 105 0 0 c 105 4.1 0.0 + 4 e 734 317 etot -7.9431E+01 mv 1 28 92 -66 0 + 4 e 523 378 etot -7.6326E+01 mv 1 28 105 -123 0 + 4 e 413 392 etot -7.5501E+01 mv 1 28 173 -24 0 + 4 e 445 398 etot -6.9049E+01 mv 1 28 177 -182 0 + 4 e 301 380 etot -8.3852E+01 mv 1 28 105 -37 0 + 4 e 530 369 etot -8.3308E+01 mv 1 28 28 -176 0 c 186 308.7 1.6 + 8 e 23 23 etot -6.3998E+01 mv 6 29 75 109 0 + 4 e 145 18 etot -6.8715E+01 mv 6 29 92 130 0 + 4 e 197 8 etot -9.2233E+01 mv 6 29 104 95 0 + 4 e 168 29 etot -7.6170E+01 mv 6 29 75 115 0 + -1 e 1 40 etot 1.3528E+20 mv 6 29 38 197 0 + 4 e 193 13 etot -7.1492E+01 mv 6 29 92 97 0 + 4 e 226 7 etot -8.0161E+01 mv 6 29 104 174 0 f 90 385.9 0.6 + 4 e 213 15 etot -7.2150E+01 mv 6 29 92 107 0 + 4 e 246 36 etot -8.7046E+01 mv 6 29 38 101 0 c 38 3.4 0.0 + 4 e 248 30 etot -8.5742E+01 mv 6 29 75 183 0 + 4 e 256 12 etot -8.7142E+01 mv 6 29 92 144 0 c 92 5.9 0.0 + 4 e 264 33 etot -8.3879E+01 mv 6 29 38 80 0 + 4 e 261 11 etot -7.6919E+01 mv 6 29 92 153 0 + 4 e 326 6 etot -8.0485E+01 mv 6 29 104 76 0 f 148 354.8 0.9 + 4 e 318 5 etot -8.3854E+01 mv 6 29 104 160 0 + -1 e 1 51 etot 1.3528E+20 mv 6 29 5 94 0 + 4 e 268 25 etot -8.7631E+01 mv 6 29 75 8 0 + 4 e 314 35 etot -7.7556E+01 mv 6 29 38 170 0 + 4 e 287 10 etot -9.2233E+01 mv 6 29 104 41 0 + 4 e 313 19 etot -8.1767E+01 mv 6 29 92 103 0 c 103 223.0 2.1 + -1 e 1 56 etot 1.3528E+20 mv 6 29 5 181 0 + 4 e 251 37 etot -8.5763E+01 mv 6 29 38 58 0 + 4 e 317 32 etot -8.0353E+01 mv 6 29 38 118 0 + 4 e 320 20 etot -8.6123E+01 mv 6 29 92 17 0 c 195 137.9 2.7 + -1 e 1 60 etot 1.3528E+20 mv 6 29 5 90 0 + -1 e 1 61 etot 1.3528E+20 mv 6 29 184 117 0 + 4 e 327 21 etot -7.9237E+01 mv 6 29 75 94 0 + -1 e 1 58 etot 1.3528E+20 mv 6 29 5 187 0 + 4 e 334 24 etot -7.8461E+01 mv 6 29 75 106 0 + -1 e 1 65 etot 1.3528E+20 mv 6 29 184 150 0 + 4 e 346 34 etot -8.7100E+01 mv 6 29 38 149 0 c 38 32.4 0.1 + 4 e 230 38 etot -7.4178E+01 mv 6 29 38 91 0 + 4 e 154 50 etot -8.7147E+01 mv 6 29 46 36 0 c 36 198.2 2.3 + -1 e 1 69 etot 1.3528E+20 mv 6 29 184 97 0 + 4 e 257 43 etot -7.9937E+01 mv 6 29 46 8 0 f 129 481.9 0.3 + -1 e 1 71 etot 1.3528E+20 mv 6 29 80 82 0 + 4 e 401 3 etot -8.3209E+01 mv 6 29 104 127 0 c 179 270.8 0.4 + 4 e 421 2 etot -9.1865E+01 mv 6 29 104 15 0 + 4 e 398 26 etot -8.6623E+01 mv 6 29 75 105 0 c 75 2.8 0.0 + 4 e 223 42 etot -7.2352E+01 mv 6 29 46 157 0 + 4 e 536 22 etot -8.6622E+01 mv 6 29 75 32 0 + 4 e 425 27 etot -7.5156E+01 mv 6 29 75 93 0 + 4 e 269 52 etot -8.3286E+01 mv 6 29 5 6 0 + -1 e 1 79 etot 7.9604E+20 mv 6 29 80 132 0 + 4 e 183 46 etot -8.0752E+01 mv 6 29 46 123 0 f 56 447.8 1.1 + -1 e 1 81 etot 1.3528E+20 mv 6 29 149 150 0 + 4 e 188 48 etot -8.7421E+01 mv 6 29 46 54 0 c 36 41.1 0.3 + 4 e 301 41 etot -7.6639E+01 mv 6 29 46 13 0 + 4 e 209 44 etot -8.7421E+01 mv 6 29 46 70 0 + 8 e 236 45 etot -6.3999E+01 mv 6 29 46 106 0 + 4 e 479 31 etot -7.6439E+01 mv 6 29 38 136 0 + 4 e 172 67 etot -6.7892E+01 mv 6 29 184 173 0 + 4 e 286 55 etot -8.5428E+01 mv 6 29 5 3 0 c 5 2.5 0.0 + 4 e 216 66 etot -6.7954E+01 mv 6 29 184 95 0 + 4 e 189 72 etot -8.3887E+01 mv 6 29 80 161 0 c 80 7.6 0.0 + 4 e 211 70 etot -8.1894E+01 mv 6 29 184 37 0 + 4 e 273 47 etot -8.2378E+01 mv 6 29 46 170 0 + 4 e 369 39 etot -7.7352E+01 mv 6 29 38 68 0 + 4 e 117 80 etot -8.9605E+01 mv 6 29 80 84 0 c 84 2.0 0.0 + 4 e 225 62 etot -7.0961E+01 mv 6 29 184 140 0 + 4 e 512 28 etot -8.4924E+01 mv 6 29 75 84 0 + 4 e 341 53 etot -8.5429E+01 mv 6 29 5 198 0 c 5 30.6 0.0 + 4 e 164 78 etot -8.1795E+01 mv 6 29 80 3 0 + 4 e 604 9 etot -9.2228E+01 mv 6 29 104 160 0 + 4 e 240 57 etot -8.5428E+01 mv 6 29 5 139 0 + 4 e 226 63 etot -8.4186E+01 mv 6 29 184 137 0 + 4 e 315 49 etot -7.9493E+01 mv 6 29 46 93 0 + 4 e 298 54 etot -8.3491E+01 mv 6 29 5 103 0 + 4 e 263 59 etot -7.4494E+01 mv 6 29 5 127 0 + 4 e 306 76 etot -7.7800E+01 mv 6 29 80 91 0 + 4 e 251 84 etot -8.2962E+01 mv 6 29 149 184 0 + 4 e 346 74 etot -7.6182E+01 mv 6 29 80 1 0 + -1 e 1 108 etot 1.3528E+20 mv 6 29 183 156 0 + 4 e 208 83 etot -7.9615E+01 mv 6 29 149 56 0 + 4 e 352 77 etot -8.6858E+01 mv 6 29 80 124 0 + 4 e 293 85 etot -8.4858E+01 mv 6 29 149 144 0 + 4 e 165 102 etot -7.1596E+01 mv 6 29 183 186 0 + 4 e 387 75 etot -8.1069E+01 mv 6 29 80 115 0 + 4 e 213 98 etot -7.7204E+01 mv 6 29 154 153 0 + 4 e 523 64 etot -7.9382E+01 mv 6 29 184 186 0 + 4 e 225 99 etot -8.0852E+01 mv 6 29 154 89 0 c 89 37.7 0.2 + 4 e 243 86 etot -7.6002E+01 mv 6 29 149 48 0 + 4 e 148 107 etot -8.1568E+01 mv 6 29 183 30 0 + 4 e 295 95 etot -8.0079E+01 mv 6 29 154 160 0 + 4 e 156 104 etot -8.2798E+01 mv 6 29 183 142 0 c 183 1.3 0.0 + 4 e 348 92 etot -7.5653E+01 mv 6 29 154 105 0 + 4 e 353 91 etot -7.8131E+01 mv 6 29 154 61 0 + 4 e 283 101 etot -8.3082E+01 mv 6 29 183 137 0 + 4 e 322 100 etot -8.3431E+01 mv 6 29 154 195 0 + 4 e 281 82 etot -8.0028E+01 mv 6 29 149 80 0 + -1 e 1 126 etot 1.3528E+20 mv 6 29 78 185 0 + 4 e 589 73 etot -7.6613E+01 mv 6 29 80 93 0 + 4 e 261 106 etot -8.7463E+01 mv 6 29 183 88 0 c 183 183.3 4.7 + 4 e 539 68 etot -7.9016E+01 mv 6 29 184 146 0 + 4 e 364 96 etot -8.4382E+01 mv 6 29 154 95 0 + 4 e 99 118 etot -8.3384E+01 mv 6 29 62 157 0 c 157 0.2 0.0 + -1 e 1 132 etot 1.3528E+20 mv 6 29 51 10 0 + 4 e 402 103 etot -7.8100E+01 mv 6 29 183 196 0 + 4 e 234 113 etot -8.4154E+01 mv 6 29 62 145 0 c 62 47.5 0.0 + 4 e 261 116 etot -7.2870E+01 mv 6 29 62 167 0 + 4 e 284 114 etot -7.4079E+01 mv 6 29 62 63 0 + 4 e 334 112 etot -7.5006E+01 mv 6 29 62 175 0 + 4 e 551 90 etot -8.3381E+01 mv 6 29 149 192 0 c 94 127.8 0.2 + 4 e 369 87 etot -8.1562E+01 mv 6 29 149 193 0 + 4 e 404 88 etot -7.5081E+01 mv 6 29 149 189 0 + 4 e 582 89 etot -7.8562E+01 mv 6 29 149 187 0 + 4 e 340 115 etot -8.4536E+01 mv 6 29 62 161 0 c 62 128.2 0.4 + 4 e 193 128 etot -7.2428E+01 mv 6 29 78 152 0 + 4 e 607 93 etot -8.0899E+01 mv 6 29 154 42 0 + 4 e 208 129 etot -8.1887E+01 mv 6 29 78 110 0 + 4 e 297 110 etot -7.7810E+01 mv 6 29 183 66 0 + 4 e 368 97 etot -8.4381E+01 mv 6 29 154 186 0 + 4 e 314 119 etot -8.1771E+01 mv 6 29 62 169 0 + 4 e 468 109 etot -8.2796E+01 mv 6 29 183 26 0 + 4 e 289 124 etot -8.2797E+01 mv 6 29 78 11 0 c 78 4.1 0.0 + -1 e 1 150 etot 1.3528E+20 mv 6 29 73 193 0 + 4 e 374 123 etot -6.6182E+01 mv 6 29 78 150 0 + 4 e 389 122 etot -7.8327E+01 mv 6 29 78 100 0 + -1 e 1 154 etot 1.3528E+20 mv 6 29 193 128 0 + 4 e 269 135 etot -7.5980E+01 mv 6 29 51 82 0 + 4 e 750 94 etot -7.9637E+01 mv 6 29 154 2 0 + 4 e 508 117 etot -7.7944E+01 mv 6 29 62 178 0 + 4 e 347 131 etot -8.2641E+01 mv 6 29 51 192 0 c 51 4.4 0.0 + 4 e 578 111 etot -8.2570E+01 mv 6 29 62 45 0 + 4 e 350 130 etot -8.3265E+01 mv 6 29 78 185 0 c 78 166.0 0.5 + 4 e 305 121 etot -8.2573E+01 mv 6 29 78 146 0 c 146 259.8 1.3 + -1 e 1 162 etot 1.3528E+20 mv 6 29 190 109 0 + 4 e 211 143 etot -7.3604E+01 mv 6 29 73 15 0 + 4 e 304 136 etot -8.4275E+01 mv 6 29 51 115 0 + -1 e 1 165 etot 1.3528E+20 mv 6 29 190 112 0 + 4 e 296 137 etot -8.4241E+01 mv 6 29 51 109 0 + 4 e 293 138 etot -7.8558E+01 mv 6 29 51 73 0 + 4 e 151 147 etot -8.0233E+01 mv 6 29 73 122 0 c 122 6.3 0.0 + 4 e 269 144 etot -8.5060E+01 mv 6 29 73 121 0 c 198 88.4 0.0 + 8 e 18 167 etot -6.3988E+01 mv 6 29 190 133 0 + 4 e 314 127 etot -8.2331E+01 mv 6 29 78 85 0 + 4 e 549 120 etot -8.1227E+01 mv 6 29 62 200 0 f 118 455.7 1.6 + 4 e 275 146 etot -7.1508E+01 mv 6 29 73 137 0 + 4 e 199 140 etot -7.6436E+01 mv 6 29 51 137 0 + 4 e 350 139 etot -8.4282E+01 mv 6 29 51 21 0 c 51 70.6 1.6 + 4 e 339 142 etot -7.4885E+01 mv 6 29 73 143 0 + 4 e 147 159 etot -8.4890E+01 mv 6 29 193 36 0 + 4 e 339 133 etot -8.4202E+01 mv 6 29 51 145 0 + 4 e 466 134 etot -8.2449E+01 mv 6 29 51 129 0 c 10 254.6 0.5 + 4 e 143 164 etot -8.3230E+01 mv 6 29 190 94 0 + 4 e 297 151 etot -8.3709E+01 mv 6 29 193 30 0 + 4 e 278 141 etot -7.0313E+01 mv 6 29 73 59 0 + 4 e 191 158 etot -8.4534E+01 mv 6 29 193 149 0 + 4 e 393 152 etot -8.5705E+01 mv 6 29 193 17 0 c 193 3.7 0.0 + 4 e 319 153 etot -8.0543E+01 mv 6 29 193 28 0 + 4 e 222 166 etot -8.2979E+01 mv 6 29 190 128 0 c 190 3.7 0.0 + 4 e 291 157 etot -8.5704E+01 mv 6 29 193 101 0 + 4 e 691 125 etot -8.2471E+01 mv 6 29 78 10 0 + 4 e 406 149 etot -8.0561E+01 mv 6 29 73 87 0 c 87 289.6 0.3 + 4 e 323 156 etot -7.3696E+01 mv 6 29 193 124 0 + 4 e 467 145 etot -7.6569E+01 mv 6 29 73 31 0 + 4 e 184 174 etot -6.7944E+01 mv 6 29 88 148 0 + 4 e 214 173 etot -6.9406E+01 mv 6 29 88 102 0 + 4 e 606 105 etot -7.3653E+01 mv 6 29 183 198 0 + 4 e 369 155 etot -8.5704E+01 mv 6 29 193 89 0 + 8 e 2 195 etot -6.4000E+01 mv 6 29 61 58 0 + -1 e 1 197 etot 1.3528E+20 mv 6 29 61 47 0 + 4 e 367 160 etot -7.6571E+01 mv 6 29 193 133 0 + 4 e 291 171 etot -6.9374E+01 mv 6 29 88 68 0 + -1 e 1 199 etot 2.0315E+20 mv 6 29 61 82 0 + 4 e 322 177 etot -6.9494E+01 mv 6 29 88 121 0 + -1 e 1 202 etot 1.3528E+20 mv 2 29 104 -136 0 + 4 e 176 189 etot -7.8354E+01 mv 6 29 33 65 0 + 4 e 283 182 etot -8.1442E+01 mv 6 29 33 11 0 + 4 e 303 180 etot -7.7763E+01 mv 6 29 88 37 0 + 4 e 342 176 etot -7.7385E+01 mv 6 29 88 173 0 + -1 e 1 207 etot 3.3295E+27 mv 2 29 92 -52 0 + 4 e 347 178 etot -8.2749E+01 mv 6 29 88 82 0 c 88 5.0 0.0 + 4 e 224 183 etot -7.4625E+01 mv 6 29 33 110 0 + 4 e 213 192 etot -7.3442E+01 mv 6 29 61 106 0 + 4 e 243 175 etot -8.7232E+01 mv 6 29 88 174 0 + -1 e 1 212 etot 3.4764E+23 mv 2 29 75 -28 0 + -1 e 1 213 etot 1.3528E+20 mv 2 29 75 -104 0 + 4 e 250 185 etot -8.2496E+01 mv 6 29 33 67 0 + 4 e 456 170 etot -8.3314E+01 mv 6 29 190 19 0 c 190 150.9 0.3 + 4 e 254 188 etot -7.2411E+01 mv 6 29 33 171 0 + 4 e 179 200 etot -6.5684E+01 mv 6 29 61 173 0 + 4 e 366 184 etot -7.6877E+01 mv 6 29 33 53 0 + 4 e 407 181 etot -8.0914E+01 mv 6 29 33 18 0 c 18 31.2 0.3 + 4 e 588 161 etot -8.3999E+01 mv 6 29 190 170 0 + 4 e 303 191 etot -8.5084E+01 mv 6 29 61 180 0 + -1 e 1 222 etot 1.3528E+20 mv 2 29 46 -65 0 + 4 e 312 193 etot -7.8879E+01 mv 6 29 61 86 0 + 4 e 259 201 etot -9.0776E+01 mv 2 29 104 -161 0 + -1 e 1 225 etot 1.3528E+20 mv 2 29 46 -44 0 + 4 e 367 187 etot -8.0800E+01 mv 6 29 33 85 0 + 4 e 598 168 etot -8.2088E+01 mv 6 29 190 113 0 + -1 e 1 228 etot 1.3528E+20 mv 2 29 5 -10 0 + 4 e 356 194 etot -7.3157E+01 mv 6 29 61 89 0 + 4 e 174 211 etot -8.6624E+01 mv 2 29 75 -94 0 c 75 1.6 0.0 + -1 e 1 231 etot 1.3528E+20 mv 2 29 184 -177 0 + 4 e 483 163 etot -8.1684E+01 mv 6 29 190 70 0 + 4 e 449 169 etot -7.4404E+01 mv 6 29 190 178 0 + -1 e 1 233 etot 1.3528E+20 mv 2 29 184 -129 0 + 4 e 246 204 etot -9.2233E+01 mv 2 29 104 -68 0 + 4 e 192 215 etot -8.6624E+01 mv 2 29 75 -150 0 + 4 e 405 196 etot -7.6913E+01 mv 6 29 61 77 0 + 4 e 407 172 etot -7.7202E+01 mv 6 29 88 87 0 + 4 e 152 221 etot -7.5718E+01 mv 2 29 46 -185 0 + 4 e 204 218 etot -7.3021E+01 mv 2 29 38 -81 0 + 4 e 279 209 etot -8.4193E+01 mv 2 29 92 -125 0 + 4 e 513 186 etot -8.0662E+01 mv 6 29 33 90 0 + 4 e 254 217 etot -6.6453E+01 mv 2 29 38 -53 0 + 4 e 351 206 etot -8.0203E+01 mv 2 29 92 -168 0 + 4 e 154 232 etot -7.0611E+01 mv 2 29 184 -172 0 + 4 e 211 214 etot -6.4646E+01 mv 2 29 75 -39 0 + 4 e 373 205 etot -8.4551E+01 mv 2 29 104 -64 0 + 4 e 440 203 etot -8.9213E+01 mv 2 29 104 -144 0 + -1 e 1 249 etot 1.8607E+26 mv 2 29 154 -114 0 + 4 e 682 148 etot -8.2629E+01 mv 6 29 73 166 0 + 4 e 663 190 etot -7.3666E+01 mv 6 29 33 7 0 + -1 e 1 252 etot 1.3528E+20 mv 2 29 183 -176 0 + 4 e 138 245 etot -8.5448E+01 mv 2 29 149 -189 0 c 149 1.7 0.0 + 4 e 293 230 etot -7.5530E+01 mv 2 29 5 -140 0 + 4 e 307 229 etot -6.6748E+01 mv 2 29 5 -158 0 + 4 e 254 237 etot -7.1963E+01 mv 2 29 80 -58 0 + -1 e 1 257 etot 1.3528E+20 mv 2 29 62 -49 0 + -1 e 1 258 etot 1.3528E+20 mv 2 29 62 -103 0 + 4 e 211 246 etot -8.3668E+01 mv 2 29 154 -12 0 c 154 1.1 0.0 + 4 e 422 227 etot -6.8540E+01 mv 2 29 5 -169 0 + 4 e 604 208 etot -5.6814E+01 mv 2 29 92 -152 0 + -1 e 1 262 etot 1.3528E+20 mv 2 29 78 -136 0 + 4 e 637 179 etot -8.5304E+01 mv 6 29 88 132 0 + 4 e 308 242 etot -6.9265E+01 mv 2 29 149 -119 0 + 4 e 506 220 etot -8.7044E+01 mv 2 29 38 -152 0 + 4 e 557 216 etot -7.1802E+01 mv 2 29 38 -51 0 + 4 e 381 238 etot -8.1697E+01 mv 2 29 80 -81 0 + 4 e 567 219 etot -7.7842E+01 mv 2 29 38 -141 0 + 4 e 364 240 etot -7.7265E+01 mv 2 29 80 -149 0 + 4 e 272 239 etot -7.5427E+01 mv 2 29 80 -163 0 + 4 e 442 236 etot -7.3867E+01 mv 2 29 80 -122 0 + 4 e 208 255 etot -8.2798E+01 mv 2 29 183 -128 0 + 4 e 348 235 etot -7.0988E+01 mv 2 29 184 -38 0 + 4 e 408 244 etot -8.0487E+01 mv 2 29 149 -130 0 f 144 397.8 0.7 + 8 e 128 267 etot -6.3995E+01 mv 2 29 51 -33 0 + 4 e 385 248 etot -6.7003E+01 mv 2 29 154 -120 0 + 4 e 246 259 etot -7.0248E+01 mv 2 29 62 -172 0 + 4 e 377 234 etot -6.5267E+01 mv 2 29 184 -55 0 + 4 e 513 210 etot -6.5978E+01 mv 2 29 92 -199 0 + 4 e 652 223 etot -7.3004E+01 mv 2 29 46 -115 0 + 4 e 635 226 etot -8.3898E+01 mv 2 29 5 -193 0 c 65 258.0 2.9 + -1 e 1 282 etot 1.3528E+20 mv 2 29 190 -21 0 + -1 e 1 283 etot 1.3528E+20 mv 2 29 190 -175 0 + 4 e 518 241 etot -8.4807E+01 mv 2 29 149 -200 0 + 4 e 489 243 etot -7.6602E+01 mv 2 29 149 -199 0 + 4 e 640 198 etot -8.0022E+01 mv 6 29 61 135 0 + 4 e 328 256 etot -7.7535E+01 mv 2 29 62 -67 0 + 4 e 207 268 etot -7.2535E+01 mv 2 29 51 -155 0 + 4 e 271 261 etot -8.1271E+01 mv 2 29 78 -169 0 + 4 e 391 254 etot -6.8659E+01 mv 2 29 183 -50 0 + 4 e 749 224 etot -7.7427E+01 mv 2 29 46 -111 0 + 4 e 370 247 etot -5.9903E+01 mv 2 29 154 -167 0 + 4 e 469 250 etot -7.5700E+01 mv 2 29 154 -90 0 + 4 e 317 266 etot -7.4698E+01 mv 2 29 51 -13 0 + 4 e 197 276 etot 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etot -9.1439E+01 mv 1 29 104 -90 0 + 4 e 532 273 etot -6.7356E+01 mv 2 29 73 -103 0 + 4 e 404 286 etot -8.4022E+01 mv 2 29 88 -151 0 + 4 e 432 264 etot -7.5311E+01 mv 2 29 78 -196 0 + 4 e 226 293 etot -8.0592E+01 mv 2 29 33 -126 0 + 4 e 296 287 etot -6.7788E+01 mv 2 29 88 -57 0 + 4 e 288 296 etot -7.3768E+01 mv 2 29 61 -129 0 + 4 e 190 306 etot -8.7256E+01 mv 1 29 92 -113 0 c 92 16.0 0.1 + 4 e 276 300 etot -7.0128E+01 mv 2 29 61 -138 0 + 4 e 435 288 etot -8.3350E+01 mv 2 29 88 -47 0 + 4 e 222 305 etot -9.2233E+01 mv 1 29 104 -118 0 + 4 e 559 275 etot -7.4987E+01 mv 2 29 73 -71 0 + 4 e 371 294 etot -8.1325E+01 mv 2 29 33 -131 0 + 4 e 417 295 etot -7.6074E+01 mv 2 29 33 -170 0 + 4 e 568 285 etot -7.6444E+01 mv 2 29 190 -129 0 + 4 e 169 314 etot -8.3293E+01 mv 1 29 75 -65 0 + 4 e 292 309 etot -8.5672E+01 mv 1 29 92 -148 0 + 4 e 429 298 etot -7.1400E+01 mv 2 29 61 -139 0 + 4 e 280 313 etot -8.6294E+01 mv 1 29 75 -102 0 + 4 e 667 251 etot -7.9919E+01 mv 2 29 183 -69 0 + 4 e 200 318 etot 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etot -8.0715E+01 mv 1 29 184 -146 0 + 4 e 300 353 etot -8.7463E+01 mv 1 29 183 -72 0 c 183 2.3 0.0 + 4 e 519 330 etot -8.5427E+01 mv 1 29 5 -136 0 + 4 e 211 361 etot -6.3144E+01 mv 1 29 78 -8 0 + -1 e 1 380 etot 1.3528E+20 mv 1 29 193 -64 0 + 4 e 349 352 etot -7.7328E+01 mv 1 29 183 -176 0 + 4 e 479 338 etot -7.3414E+01 mv 1 29 80 -112 0 + 4 e 279 344 etot -8.5447E+01 mv 1 29 149 -116 0 + 4 e 499 319 etot -7.4472E+01 mv 1 29 38 -105 0 + 4 e 166 364 etot -6.1572E+01 mv 1 29 78 -185 0 + 4 e 545 332 etot -5.4041E+01 mv 1 29 184 -45 0 + -1 e 1 387 etot 1.3528E+20 mv 1 29 88 -123 0 + 4 e 379 355 etot -7.4566E+01 mv 1 29 183 -144 0 + 4 e 286 360 etot -8.4116E+01 mv 1 29 62 -5 0 + 4 e 218 366 etot -8.2642E+01 mv 1 29 51 -104 0 + 4 e 538 320 etot -8.7045E+01 mv 1 29 38 -36 0 + 4 e 188 375 etot -6.8286E+01 mv 1 29 73 -164 0 + -1 e 1 393 etot 1.3528E+20 mv 1 29 33 -193 0 + 4 e 467 351 etot -8.2796E+01 mv 1 29 183 -148 0 + 4 e 465 354 etot -7.3260E+01 mv 1 29 183 -30 0 + 4 e 409 356 etot -8.2156E+01 mv 1 29 62 -2 0 + 4 e 515 347 etot -6.6441E+01 mv 1 29 154 -153 0 + 4 e 278 370 etot -8.1713E+01 mv 1 29 51 -89 0 + 4 e 349 359 etot -8.4351E+01 mv 1 29 62 -31 0 + 4 e 267 381 etot -8.2979E+01 mv 1 29 190 -154 0 + 4 e 226 390 etot -7.2321E+01 mv 1 29 88 -179 0 + 4 e 175 396 etot -8.2414E+01 mv 1 29 61 -63 0 c 61 5.4 0.1 + 4 e 200 391 etot -8.1049E+01 mv 1 29 33 -192 0 + 4 e 393 357 etot -8.5653E+01 mv 1 29 62 -100 0 + 4 e 200 394 etot -7.1484E+01 mv 1 29 33 -171 0 + 4 e 406 369 etot -7.8276E+01 mv 1 29 51 -48 0 + 4 e 358 378 etot -7.0190E+01 mv 1 29 193 -124 0 + 4 e 361 379 etot -8.2366E+01 mv 1 29 193 -53 0 + 4 e 547 362 etot -7.7665E+01 mv 1 29 78 -12 0 + 4 e 601 358 etot -7.5050E+01 mv 1 29 62 -164 0 + 4 e 472 365 etot -7.2433E+01 mv 1 29 78 -167 0 + 4 e 24 408 etot -8.3849E+01 mv 0 29 80 0 0 + 4 e 230 395 etot -8.2497E+01 mv 1 29 33 -163 0 c 33 2.3 0.0 + 4 e 101 401 etot -9.2233E+01 mv 0 29 104 0 0 c 104 0.4 0.0 + 4 e 538 374 etot -8.2877E+01 mv 1 29 73 -30 0 + 4 e 111 406 etot -8.5429E+01 mv 0 29 5 0 0 + 4 e 620 363 etot -8.2796E+01 mv 1 29 78 -6 0 + 4 e 86 402 etot -8.7110E+01 mv 0 29 92 0 0 + 4 e 140 412 etot -8.4117E+01 mv 0 29 62 0 0 +## N0 total= 19 close= 8 far= 0 %acc 42.1 +## N1 total= 101 close= 8 far= 0 %acc 7.9 +## N2 total= 100 close= 5 far= 2 %acc 7.0 +## N3 total= 0 close= 0 far= 0 %acc 0.0 +## N4 total= 0 close= 0 far= 0 %acc 0.0 +## N5 total= 0 close= 0 far= 0 %acc 0.0 +## N6 total= 200 close= 34 far= 5 %acc 19.5 +## N7 total= 0 close= 0 far= 0 %acc 0.0 +## N8 total= 0 close= 0 far= 0 %acc 0.0 +## N9 total= 0 close= 0 far= 0 %acc 0.0 +##N10 total= 0 close= 0 far= 0 %acc 0.0 +##N11 total= 0 close= 0 far= 0 %acc 0.0 +##N12 total= 0 close= 0 far= 0 %acc 0.0 +##N13 total= 0 close= 0 far= 0 %acc 0.0 +##N14 total= 0 close= 0 far= 0 %acc 0.0 +##N15 total= 0 close= 0 far= 0 %acc 0.0 +##N16 total= 0 close= 0 far= 0 %acc 0.0 +##N17 total= 0 close= 0 far= 0 %acc 0.0 +##N18 total= 0 close= 0 far= 0 %acc 0.0 + Time for refresh 30 0.29 + make_var : nseed= 20 ntry= 420 + Time for make trial 31 0.07 +Nonsetup time 63.62 sec, Eval/s = 63266.44 +Time for iter 31 1.85 sec, Eval/s = 68155.53 + UPDATING 420 + 4 e 560 382 etot -7.7093E+01 mv 1 29 190 -138 0 + 4 e 162 413 etot -8.2798E+01 mv 0 29 78 0 0 + 4 e 98 416 etot -8.5705E+01 mv 0 29 193 0 0 c 193 1.0 0.0 + 4 e 260 417 etot -8.2980E+01 mv 0 29 190 0 0 + 4 e 108 418 etot -8.2749E+01 mv 0 29 88 0 0 c 88 2.7 0.0 + 4 e 93 419 etot -8.2497E+01 mv 0 29 33 0 0 c 33 1.3 0.0 + 4 e 494 397 etot -7.5150E+01 mv 1 29 61 -34 0 + 4 e 157 420 etot -8.2324E+01 mv 0 29 61 0 0 + 4 e 104 415 etot -8.3748E+01 mv 0 29 73 0 0 c 73 1.1 0.0 + 4 e 405 383 etot -8.3399E+01 mv 1 29 190 -23 0 c 190 229.0 0.1 + 4 e 347 388 etot -7.7807E+01 mv 1 29 88 -128 0 + 4 e 474 389 etot -8.1935E+01 mv 1 29 88 -188 0 + 4 e 110 411 etot -8.2798E+01 mv 0 29 183 0 0 + 4 e 110 410 etot -8.3669E+01 mv 0 29 154 0 0 + 4 e 76 407 etot -8.4287E+01 mv 0 29 184 0 0 c 184 0.4 0.0 + -1 e 1 5 etot 1.3528E+20 mv 6 30 10 113 0 + 4 e 400 398 etot -6.7864E+01 mv 1 29 61 -147 0 + 4 e 521 376 etot -8.5704E+01 mv 1 29 193 -186 0 + -1 e 1 9 etot 1.3528E+20 mv 6 30 10 75 0 + 4 e 116 403 etot -8.6624E+01 mv 0 29 75 0 0 c 75 0.6 0.0 + 4 e 454 386 etot -8.2747E+01 mv 1 29 88 -191 0 + 4 e 122 404 etot -8.7047E+01 mv 0 29 38 0 0 + 4 e 118 414 etot -8.2642E+01 mv 0 29 51 0 0 + 4 e 108 409 etot -8.5449E+01 mv 0 29 149 0 0 c 149 0.8 0.0 + 4 e 399 399 etot -7.9423E+01 mv 1 29 61 -21 0 + 4 e 448 377 etot -8.4768E+01 mv 1 29 193 -70 0 + 4 e 90 405 etot -8.6444E+01 mv 0 29 46 0 0 c 46 0.7 0.0 + 4 e 308 392 etot -7.0638E+01 mv 1 29 33 -7 0 + 4 e 440 367 etot -8.1733E+01 mv 1 29 51 -129 0 + -1 e 1 23 etot 1.3528E+20 mv 6 30 101 195 0 + 4 e 616 373 etot -8.3058E+01 mv 1 29 73 -51 0 f 165 363.8 3.3 + 4 e 406 400 etot -7.8913E+01 mv 1 29 61 -59 0 + 4 e 634 384 etot -8.3939E+01 mv 1 29 190 -196 0 c 190 243.1 0.5 + 4 e 349 385 etot -8.2978E+01 mv 1 29 190 -98 0 + -1 e 1 25 etot 1.3528E+20 mv 6 30 101 74 0 + -1 e 1 2 etot 1.3528E+20 mv 6 30 10 156 0 + 4 e 108 22 etot -8.2749E+01 mv 6 30 101 88 0 + 8 e 135 31 etot -6.3997E+01 mv 6 30 36 80 0 + 4 e 174 11 etot -6.7214E+01 mv 6 30 92 119 0 + 4 e 169 26 etot -8.7039E+01 mv 6 30 101 132 0 + 4 e 199 12 etot -8.7256E+01 mv 6 30 92 9 0 + 4 e 209 34 etot -7.4731E+01 mv 6 30 36 164 0 + 4 e 207 13 etot -7.0953E+01 mv 6 30 92 186 0 + 4 e 213 24 etot -8.4330E+01 mv 6 30 101 156 0 + 4 e 234 1 etot -8.1186E+01 mv 6 30 10 163 0 c 163 208.5 0.4 + 4 e 241 20 etot -8.9366E+01 mv 6 30 92 79 0 + 4 e 256 30 etot -8.2062E+01 mv 6 30 101 140 0 + 4 e 251 28 etot -8.6738E+01 mv 6 30 101 122 0 + 4 e 296 6 etot -7.9980E+01 mv 6 30 10 191 0 + -1 e 1 49 etot 1.3528E+20 mv 6 30 45 79 0 + 4 e 288 10 etot -7.8902E+01 mv 6 30 10 110 0 + 4 e 289 27 etot -7.1106E+01 mv 6 30 101 107 0 + 4 e 303 18 etot -7.6829E+01 mv 6 30 92 176 0 + 4 e 277 35 etot -7.8910E+01 mv 6 30 36 86 0 + 4 e 370 16 etot -8.6750E+01 mv 6 30 92 97 0 + 4 e 353 8 etot -7.0609E+01 mv 6 30 10 85 0 + 4 e 347 33 etot -7.9188E+01 mv 6 30 36 138 0 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184 69 etot -7.6712E+01 mv 6 30 65 30 0 + -1 e 1 78 etot 1.3528E+20 mv 6 30 80 186 0 + 4 e 679 3 etot -8.0966E+01 mv 6 30 10 153 0 + 4 e 296 59 etot -8.4087E+01 mv 6 30 2 196 0 c 196 118.3 1.3 + 4 e 443 39 etot -8.2458E+01 mv 6 30 36 57 0 + 4 e 328 61 etot -7.4518E+01 mv 6 30 65 111 0 + 4 e 461 38 etot -8.4256E+01 mv 6 30 36 124 0 f 50 393.7 4.5 + 4 e 486 50 etot -8.3660E+01 mv 6 30 45 112 0 + 4 e 226 71 etot -7.8604E+01 mv 6 30 80 190 0 + 4 e 422 55 etot -8.4955E+01 mv 6 30 2 119 0 + 4 e 213 75 etot -8.3921E+01 mv 6 30 80 117 0 c 80 12.5 0.0 + 4 e 211 67 etot -8.4159E+01 mv 6 30 65 137 0 c 137 2.2 0.0 + 4 e 460 42 etot -8.0623E+01 mv 6 30 45 163 0 + 4 e 332 65 etot -7.6812E+01 mv 6 30 65 191 0 + -1 e 1 91 etot 1.3528E+20 mv 6 30 197 111 0 + -1 e 1 92 etot 1.3528E+20 mv 6 30 197 68 0 + 4 e 314 68 etot -7.7852E+01 mv 6 30 65 35 0 + 4 e 338 52 etot -6.9840E+01 mv 6 30 2 118 0 + 4 e 261 66 etot -6.9208E+01 mv 6 30 65 55 0 + 4 e 388 53 etot -7.8234E+01 mv 6 30 2 143 0 + 4 e 454 60 etot -7.8224E+01 mv 6 30 2 34 0 + 4 e 388 48 etot -7.9395E+01 mv 6 30 45 183 0 + 4 e 189 73 etot -8.3921E+01 mv 6 30 80 160 0 c 80 1.4 0.0 + 4 e 480 46 etot -8.5690E+01 mv 6 30 45 161 0 + 4 e 278 76 etot -7.8737E+01 mv 6 30 80 179 0 + -1 e 1 102 etot 1.3528E+20 mv 6 30 94 10 0 + -1 e 1 103 etot 1.3528E+20 mv 6 30 94 115 0 + 4 e 516 51 etot -8.3913E+01 mv 6 30 2 105 0 c 105 89.2 0.1 + 4 e 389 64 etot -6.7118E+01 mv 6 30 65 113 0 + 4 e 394 70 etot -6.8374E+01 mv 6 30 65 90 0 + 4 e 285 77 etot -8.3849E+01 mv 6 30 80 83 0 + 4 e 281 79 etot -8.0444E+01 mv 6 30 80 187 0 + 4 e 92 95 etot -8.3382E+01 mv 6 30 197 94 0 c 94 2.5 0.0 + 4 e 252 83 etot -7.1551E+01 mv 6 30 38 105 0 + 4 e 172 94 etot -6.8618E+01 mv 6 30 197 196 0 + -1 e 1 112 etot 1.3528E+20 mv 6 30 186 150 0 + 4 e 502 62 etot -7.5678E+01 mv 6 30 65 7 0 + 4 e 451 57 etot -8.3924E+01 mv 6 30 2 35 0 + 4 e 312 82 etot -8.3540E+01 mv 6 30 38 197 0 + 4 e 284 88 etot -7.7813E+01 mv 6 30 38 200 0 + 4 e 371 81 etot -7.9547E+01 mv 6 30 38 45 0 + 4 e 343 87 etot -8.2357E+01 mv 6 30 38 148 0 + 4 e 230 89 etot -8.5004E+01 mv 6 30 38 46 0 + 4 e 340 97 etot -7.2599E+01 mv 6 30 197 91 0 + 4 e 275 106 etot -7.3197E+01 mv 6 30 94 185 0 + 4 e 359 96 etot -8.4610E+01 mv 6 30 197 200 0 + 4 e 310 105 etot -8.0872E+01 mv 6 30 94 177 0 + 4 e 421 93 etot -7.6222E+01 mv 6 30 197 142 0 + 4 e 50 122 etot -8.0578E+01 mv 6 30 78 19 0 c 19 0.3 0.0 + 4 e 472 85 etot -7.2487E+01 mv 6 30 38 151 0 + 4 e 384 98 etot -7.3221E+01 mv 6 30 197 121 0 + 4 e 245 111 etot -8.3309E+01 mv 6 30 186 153 0 c 186 3.2 0.0 + 4 e 503 63 etot -8.1162E+01 mv 6 30 65 146 0 + 4 e 345 84 etot -7.4990E+01 mv 6 30 38 133 0 + 4 e 211 110 etot -8.1051E+01 mv 6 30 94 43 0 + 4 e 555 86 etot -8.0754E+01 mv 6 30 38 151 0 f 68 383.6 0.9 + 4 e 347 113 etot -7.1012E+01 mv 6 30 186 92 0 + 4 e 301 116 etot -7.6523E+01 mv 6 30 186 180 0 + 4 e 268 118 etot -8.1864E+01 mv 6 30 186 128 0 + 4 e 369 90 etot -8.4325E+01 mv 6 30 38 14 0 + 4 e 189 121 etot -7.0125E+01 mv 6 30 78 185 0 + 4 e 353 114 etot -7.4508E+01 mv 6 30 186 39 0 + 4 e 499 104 etot -7.8136E+01 mv 6 30 94 17 0 + 4 e 461 107 etot -8.1740E+01 mv 6 30 94 157 0 + 4 e 305 100 etot -8.2339E+01 mv 6 30 197 51 0 + 4 e 223 80 etot -8.2040E+01 mv 6 30 80 110 0 + 4 e 432 109 etot -8.6005E+01 mv 6 30 94 46 0 + 4 e 359 117 etot -7.5826E+01 mv 6 30 186 120 0 + -1 e 1 145 etot 1.3528E+20 mv 6 30 167 180 0 + 4 e 254 74 etot -7.6615E+01 mv 6 30 80 12 0 + 4 e 162 131 etot -7.1648E+01 mv 6 30 91 136 0 + 4 e 310 115 etot -7.6313E+01 mv 6 30 186 57 0 + 4 e 606 101 etot -8.2228E+01 mv 6 30 94 185 0 + 4 e 516 108 etot -8.2702E+01 mv 6 30 94 176 0 + 4 e 310 72 etot -8.3886E+01 mv 6 30 80 27 0 + 4 e 305 123 etot -8.1687E+01 mv 6 30 78 108 0 c 108 46.6 0.8 + 4 e 286 124 etot -7.3838E+01 mv 6 30 78 109 0 + 4 e 311 126 etot -7.6988E+01 mv 6 30 78 108 0 + 4 e 421 119 etot -7.5550E+01 mv 6 30 186 185 0 + 4 e 341 125 etot -8.2816E+01 mv 6 30 78 173 0 + 4 e 315 129 etot -8.3266E+01 mv 6 30 78 194 0 c 78 2.1 0.0 + -1 e 1 158 etot 1.3528E+20 mv 6 30 7 100 0 + 4 e 442 99 etot -8.0648E+01 mv 6 30 197 49 0 + 4 e 243 139 etot -7.9981E+01 mv 6 30 91 12 0 + 4 e 260 136 etot -8.9325E+01 mv 6 30 91 24 0 + 4 e 238 141 etot -8.1447E+01 mv 6 30 167 112 0 + 4 e 284 135 etot -7.9251E+01 mv 6 30 91 170 0 + 4 e 248 130 etot -7.1859E+01 mv 6 30 78 160 0 + 4 e 336 120 etot -8.3558E+01 mv 6 30 186 132 0 c 71 200.7 3.7 + 4 e 174 150 etot -8.2032E+01 mv 6 30 167 122 0 c 167 8.6 0.4 + -1 e 1 167 etot 1.3528E+20 mv 6 30 12 8 0 + 4 e 432 128 etot -8.2668E+01 mv 6 30 78 166 0 + 4 e 254 146 etot -8.1622E+01 mv 6 30 167 143 0 + 4 e 294 143 etot -7.7486E+01 mv 6 30 167 28 0 + 4 e 400 133 etot -7.0850E+01 mv 6 30 91 19 0 + 4 e 339 140 etot -8.1341E+01 mv 6 30 91 106 0 + 4 e 496 127 etot -7.9075E+01 mv 6 30 78 61 0 + 4 e 191 157 etot -8.1154E+01 mv 6 30 7 162 0 c 7 2.7 0.0 + 4 e 262 154 etot -7.8622E+01 mv 6 30 7 15 0 + 4 e 228 149 etot -8.2031E+01 mv 6 30 167 86 0 + 4 e 29 176 etot -8.0832E+01 mv 6 30 85 9 0 c 9 0.1 0.0 + 4 e 235 161 etot -8.0910E+01 mv 6 30 12 166 0 c 12 3.3 0.0 + -1 e 1 179 etot 1.3528E+20 mv 6 30 85 70 0 + 4 e 229 163 etot -8.1830E+01 mv 6 30 12 82 0 + 4 e 366 153 etot -8.0300E+01 mv 6 30 7 171 0 + 4 e 325 155 etot -7.5878E+01 mv 6 30 7 45 0 + 4 e 361 137 etot -8.4248E+01 mv 6 30 91 115 0 + 4 e 324 142 etot -8.0323E+01 mv 6 30 167 142 0 + 4 e 452 147 etot -7.9651E+01 mv 6 30 167 39 0 + -1 e 1 186 etot 1.1011E+20 mv 6 30 187 69 0 + 4 e 562 134 etot -7.6775E+01 mv 6 30 91 124 0 + 4 e 66 177 etot -8.3852E+01 mv 6 30 85 105 0 + 4 e 310 148 etot -6.8774E+01 mv 6 30 167 165 0 + 4 e 355 156 etot -7.5123E+01 mv 6 30 7 30 0 + 4 e 570 138 etot -8.1935E+01 mv 6 30 91 73 0 + 4 e 228 160 etot -7.8867E+01 mv 6 30 7 113 0 + 4 e 425 132 etot -7.3181E+01 mv 6 30 91 94 0 + 4 e 629 144 etot -8.1015E+01 mv 6 30 167 126 0 + 4 e 421 162 etot -8.3706E+01 mv 6 30 12 52 0 c 126 190.8 0.3 + 4 e 272 175 etot -6.7851E+01 mv 6 30 85 157 0 + 4 e 539 151 etot -8.0974E+01 mv 6 30 7 42 0 f 185 365.5 1.1 + 4 e 336 174 etot -8.1349E+01 mv 6 30 85 179 0 c 85 27.6 0.4 + 4 e 382 171 etot -7.1231E+01 mv 6 30 85 74 0 + 4 e 353 172 etot -6.4820E+01 mv 6 30 85 20 0 + 4 e 560 152 etot -8.3089E+01 mv 6 30 7 169 0 c 169 29.0 0.2 + 4 e 456 164 etot -8.1172E+01 mv 6 30 12 40 0 + 4 e 242 181 etot -7.3564E+01 mv 6 30 187 137 0 + 4 e 306 178 etot -8.1349E+01 mv 6 30 85 130 0 + 4 e 442 170 etot -7.7831E+01 mv 6 30 12 129 0 + 4 e 243 187 etot -8.0869E+01 mv 6 30 187 82 0 c 187 3.0 0.0 + 4 e 111 195 etot -6.4797E+01 mv 6 30 26 16 0 + 4 e 429 173 etot -8.0802E+01 mv 6 30 85 16 0 + 4 e 509 169 etot -8.0276E+01 mv 6 30 12 61 0 + 4 e 258 192 etot -7.0030E+01 mv 6 30 26 185 0 + 4 e 277 191 etot -8.1111E+01 mv 6 30 26 25 0 c 26 77.2 0.3 + 4 e 401 165 etot -7.1540E+01 mv 6 30 12 70 0 + -1 e 1 213 etot 2.0429E+24 mv 2 30 101 -179 0 + 4 e 647 159 etot -8.2586E+01 mv 6 30 7 102 0 c 185 303.6 1.6 + 4 e 149 201 etot -8.2451E+01 mv 2 30 10 -122 0 c 10 3.2 0.0 + 4 e 333 188 etot -8.2390E+01 mv 6 30 187 172 0 c 187 209.0 1.5 + 4 e 559 168 etot -7.2961E+01 mv 6 30 12 78 0 + 4 e 387 183 etot -7.6624E+01 mv 6 30 187 2 0 + 4 e 239 190 etot -8.0869E+01 mv 6 30 187 80 0 + 4 e 267 197 etot -8.0826E+01 mv 6 30 26 195 0 + 4 e 257 193 etot -8.0260E+01 mv 6 30 26 144 0 + 4 e 271 199 etot -7.9801E+01 mv 6 30 26 141 0 + 4 e 262 202 etot -7.3610E+01 mv 2 30 10 -15 0 + 4 e 490 180 etot -7.3775E+01 mv 6 30 85 56 0 + 4 e 346 184 etot -8.0868E+01 mv 6 30 187 199 0 + 4 e 320 200 etot -6.8368E+01 mv 6 30 26 150 0 + 4 e 345 189 etot -7.7154E+01 mv 6 30 187 167 0 + 4 e 515 166 etot -7.8927E+01 mv 6 30 12 79 0 + 4 e 255 209 etot -8.5191E+01 mv 2 30 92 -192 0 + 4 e 290 207 etot -6.8617E+01 mv 2 30 92 -150 0 + -1 e 1 231 etot 1.3528E+20 mv 2 30 65 -117 0 + 4 e 192 217 etot -5.9794E+01 mv 2 30 36 -80 0 + 4 e 565 182 etot -8.6650E+01 mv 6 30 187 192 0 + 4 e 203 219 etot -7.0022E+01 mv 2 30 36 -165 0 + 4 e 364 203 etot -7.7130E+01 mv 2 30 10 -83 0 + 4 e 415 185 etot -7.9538E+01 mv 6 30 187 50 0 + 4 e 151 220 etot -8.7421E+01 mv 2 30 36 -182 0 c 36 1.1 0.0 + 4 e 490 196 etot -7.9642E+01 mv 6 30 26 42 0 + 4 e 309 216 etot -8.0272E+01 mv 2 30 36 -76 0 + 4 e 413 206 etot -8.5085E+01 mv 2 30 92 -94 0 + 4 e 197 224 etot -7.4940E+01 mv 2 30 45 -79 0 + -1 e 1 242 etot 1.3528E+20 mv 2 30 38 -72 0 + 4 e 451 204 etot -7.8378E+01 mv 2 30 10 -2 0 + 4 e 361 215 etot -8.1015E+01 mv 2 30 101 -46 0 + 4 e 547 198 etot -7.5109E+01 mv 6 30 26 4 0 + 4 e 406 210 etot -7.2407E+01 mv 2 30 92 -166 0 + 4 e 398 211 etot -8.4216E+01 mv 2 30 101 -52 0 + 4 e 454 208 etot -7.1864E+01 mv 2 30 92 -87 0 + 4 e 433 194 etot -8.3443E+01 mv 6 30 26 50 0 c 26 253.4 2.3 + -1 e 1 249 etot 1.3528E+20 mv 2 30 197 -125 0 + 8 e 33 244 etot -6.3996E+01 mv 2 30 38 -35 0 + 4 e 281 214 etot -7.5817E+01 mv 2 30 101 -118 0 + 4 e 384 218 etot -7.0486E+01 mv 2 30 36 -162 0 + 4 e 422 212 etot -6.7420E+01 mv 2 30 101 -58 0 + 4 e 301 225 etot -7.8580E+01 mv 2 30 45 -126 0 + 4 e 371 223 etot -6.9050E+01 mv 2 30 45 -88 0 + 4 e 151 238 etot -5.9642E+01 mv 2 30 80 -122 0 + 4 e 170 240 etot -8.1359E+01 mv 2 30 80 -76 0 + 4 e 286 233 etot -7.3830E+01 mv 2 30 65 -56 0 + 4 e 261 236 etot -8.2427E+01 mv 2 30 80 -127 0 + 4 e 314 230 etot -8.3539E+01 mv 2 30 2 -16 0 + 4 e 614 205 etot -7.8807E+01 mv 2 30 10 -5 0 + 4 e 152 247 etot -6.8742E+01 mv 2 30 197 -198 0 + 4 e 427 221 etot -8.4521E+01 mv 2 30 45 -50 0 + -1 e 1 265 etot 1.3528E+20 mv 2 30 78 -170 0 + 4 e 277 228 etot -7.0458E+01 mv 2 30 2 -161 0 + 4 e 263 243 etot -6.9592E+01 mv 2 30 38 -98 0 + 4 e 430 232 etot -5.7709E+01 mv 2 30 65 -66 0 + 4 e 323 226 etot -8.5257E+01 mv 2 30 2 -194 0 c 2 3.4 0.0 + 4 e 408 235 etot -8.3898E+01 mv 2 30 65 -149 0 + 4 e 417 234 etot -7.3785E+01 mv 2 30 65 -13 0 + 4 e 128 263 etot -5.5167E+01 mv 2 30 78 -80 0 + -1 e 1 273 etot 1.3528E+20 mv 2 30 167 -64 0 + -1 e 1 274 etot 3.8400E+23 mv 2 30 167 -23 0 + 4 e 175 266 etot -6.9404E+01 mv 2 30 91 -197 0 + 4 e 350 245 etot -8.7216E+01 mv 2 30 38 -4 0 c 38 35.8 0.1 + 4 e 234 257 etot -5.7021E+01 mv 2 30 186 -150 0 + 4 e 296 256 etot -7.1931E+01 mv 2 30 186 -156 0 + 4 e 410 241 etot -7.0919E+01 mv 2 30 38 -148 0 + 4 e 232 250 etot -8.5961E+01 mv 2 30 197 -80 0 c 197 2.3 0.0 + -1 e 1 281 etot 1.5535E+27 mv 2 30 12 -172 0 + 4 e 338 252 etot -6.4413E+01 mv 2 30 94 -109 0 + 4 e 576 227 etot -7.4524E+01 mv 2 30 2 -44 0 + 4 e 362 251 etot -8.3381E+01 mv 2 30 94 -3 0 + -1 e 1 284 etot 1.3528E+20 mv 2 30 12 -101 0 + 4 e 381 246 etot -7.6683E+01 mv 2 30 197 -87 0 + 4 e 274 261 etot -7.7458E+01 mv 2 30 78 -111 0 + 4 e 355 255 etot -7.4849E+01 mv 2 30 94 -107 0 + 4 e 518 239 etot -8.3367E+01 mv 2 30 80 -160 0 c 18 269.6 2.5 + 4 e 403 237 etot -7.8994E+01 mv 2 30 80 -30 0 + -1 e 1 291 etot 1.3528E+20 mv 2 30 187 -179 0 + 4 e 149 278 etot -6.4072E+01 mv 2 30 7 -55 0 + 4 e 171 270 etot -7.0141E+01 mv 2 30 91 -179 0 + 4 e 259 258 etot -7.3255E+01 mv 2 30 186 -148 0 + -1 e 1 295 etot 1.3528E+20 mv 2 30 187 -155 0 + 4 e 225 275 etot -7.2491E+01 mv 2 30 167 -131 0 + 4 e 137 285 etot -5.6764E+01 mv 2 30 12 -113 0 + -1 e 1 298 etot 1.3528E+20 mv 2 30 26 -125 0 + 4 e 240 271 etot -7.3226E+01 mv 2 30 167 -14 0 + 4 e 415 260 etot -7.2165E+01 mv 2 30 186 -66 0 + 4 e 423 259 etot -6.8048E+01 mv 2 30 186 -132 0 + 4 e 514 254 etot -7.3700E+01 mv 2 30 94 -44 0 + 4 e 403 264 etot -6.9572E+01 mv 2 30 78 -103 0 + 4 e 250 267 etot -6.4666E+01 mv 2 30 91 -173 0 + 4 e 577 248 etot -8.1942E+01 mv 2 30 197 -9 0 + 4 e 335 269 etot -8.0699E+01 mv 2 30 91 -59 0 + 4 e 389 253 etot -8.2191E+01 mv 2 30 94 -137 0 + 4 e 256 276 etot -7.7816E+01 mv 2 30 7 -158 0 + 4 e 231 286 etot -6.2741E+01 mv 2 30 85 -135 0 + 4 e 266 283 etot -6.8636E+01 mv 2 30 12 -165 0 + 4 e 131 299 etot -6.6572E+01 mv 2 30 26 -173 0 + -1 e 1 312 etot 1.3528E+20 mv 1 30 101 -102 0 + -1 e 1 313 etot 1.3528E+20 mv 1 30 101 -31 0 + 4 e 174 293 etot -7.2562E+01 mv 2 30 187 -138 0 + 4 e 633 222 etot -6.9900E+01 mv 2 30 45 -77 0 + 4 e 456 268 etot -7.4790E+01 mv 2 30 91 -66 0 + 4 e 357 280 etot -6.4232E+01 mv 2 30 7 -1 0 + 4 e 212 300 etot -6.8352E+01 mv 2 30 26 -22 0 + 4 e 254 282 etot -5.8914E+01 mv 2 30 12 -65 0 + 4 e 202 304 etot -7.6038E+01 mv 1 30 10 -73 0 + 4 e 660 229 etot -7.7474E+01 mv 2 30 2 -115 0 + 4 e 489 272 etot -7.8059E+01 mv 2 30 167 -30 0 + 4 e 651 262 etot -7.1404E+01 mv 2 30 78 -50 0 + 4 e 198 306 etot -8.7256E+01 mv 1 30 92 -46 0 + 4 e 453 279 etot -7.5205E+01 mv 2 30 7 -1 0 + 4 e 318 297 etot -5.8702E+01 mv 2 30 26 -10 0 + 4 e 201 311 etot -8.7538E+01 mv 1 30 101 -178 0 + 4 e 460 288 etot -6.3469E+01 mv 2 30 85 -150 0 + 4 e 483 287 etot -7.5757E+01 mv 2 30 85 -50 0 + 4 e 561 277 etot -6.0294E+01 mv 2 30 7 -27 0 + 4 e 244 314 etot -8.6826E+01 mv 1 30 101 -151 0 + 4 e 327 303 etot -8.1685E+01 mv 1 30 10 -86 0 + 4 e 159 316 etot -8.7421E+01 mv 1 30 36 -171 0 c 36 1.3 0.0 + 4 e 455 290 etot -8.0924E+01 mv 2 30 85 -38 0 + 4 e 187 324 etot -7.2098E+01 mv 1 30 45 -123 0 + 4 e 365 309 etot -8.7406E+01 mv 1 30 92 -49 0 c 92 59.3 0.1 + 4 e 364 310 etot -8.7255E+01 mv 1 30 92 -142 0 + 4 e 234 319 etot -8.7421E+01 mv 1 30 36 -50 0 + 4 e 440 301 etot -8.2450E+01 mv 1 30 10 -186 0 + 4 e 220 325 etot -8.5692E+01 mv 1 30 45 -95 0 c 45 4.0 0.0 + 4 e 253 321 etot -7.9041E+01 mv 1 30 45 -155 0 + 4 e 195 320 etot -8.7421E+01 mv 1 30 36 -178 0 + 4 e 308 305 etot -7.8911E+01 mv 1 30 10 -180 0 + -1 e 1 344 etot 1.3528E+20 mv 1 30 38 -131 0 + 4 e 508 302 etot -6.8115E+01 mv 1 30 10 -62 0 + 4 e 311 318 etot -6.9896E+01 mv 1 30 36 -160 0 + 4 e 657 289 etot -7.8145E+01 mv 2 30 85 -140 0 + 4 e 191 331 etot -8.3899E+01 mv 1 30 65 -101 0 c 65 3.5 0.0 + 4 e 214 330 etot -8.5259E+01 mv 1 30 2 -126 0 c 2 2.9 0.0 + 4 e 469 294 etot -7.5101E+01 mv 2 30 187 -156 0 + 4 e 598 307 etot -8.4479E+01 mv 1 30 92 -147 0 + 4 e 367 327 etot -7.1349E+01 mv 1 30 2 -63 0 + 4 e 142 345 etot -6.8563E+01 mv 1 30 38 -84 0 + 4 e 423 308 etot -8.1670E+01 mv 1 30 92 -119 0 + 4 e 560 315 etot -8.3303E+01 mv 1 30 101 -157 0 + 4 e 193 346 etot -8.5961E+01 mv 1 30 197 -45 0 c 197 1.2 0.0 + 4 e 532 317 etot -6.8548E+01 mv 1 30 36 -31 0 + -1 e 1 358 etot 1.3528E+20 mv 1 30 186 -147 0 + 4 e 342 322 etot -8.2334E+01 mv 1 30 45 -170 0 + 4 e 553 292 etot -7.9288E+01 mv 2 30 187 -137 0 + 4 e 531 296 etot -7.6819E+01 mv 2 30 26 -190 0 + 4 e 322 338 etot -6.8962E+01 mv 1 30 80 -130 0 + -1 e 1 363 etot 1.3528E+20 mv 1 30 78 -56 0 + 4 e 525 323 etot -8.1791E+01 mv 1 30 45 -122 0 + 4 e 318 339 etot -7.6463E+01 mv 1 30 80 -133 0 + 4 e 512 326 etot -8.5890E+01 mv 1 30 2 -133 0 c 2 118.2 0.6 + 4 e 442 332 etot -7.5942E+01 mv 1 30 65 -100 0 + 4 e 365 336 etot -8.3920E+01 mv 1 30 80 -96 0 + 4 e 313 341 etot -8.5596E+01 mv 1 30 38 -92 0 + 4 e 305 349 etot -6.4849E+01 mv 1 30 197 -63 0 + 4 e 341 337 etot -6.8574E+01 mv 1 30 80 -108 0 + 4 e 148 356 etot -8.2909E+01 mv 1 30 186 -140 0 + 4 e 447 340 etot -8.3886E+01 mv 1 30 80 -153 0 + 4 e 406 347 etot -7.9082E+01 mv 1 30 197 -143 0 + 4 e 511 335 etot -8.4142E+01 mv 1 30 65 -39 0 c 65 165.5 0.2 + 4 e 125 369 etot -6.0192E+01 mv 1 30 91 -149 0 + 4 e 209 357 etot -8.2285E+01 mv 1 30 186 -82 0 + 4 e 282 352 etot -7.3386E+01 mv 1 30 94 -53 0 + 4 e 446 333 etot -8.2020E+01 mv 1 30 65 -73 0 f 142 406.7 2.1 + 4 e 166 355 etot -8.3382E+01 mv 1 30 94 -25 0 + 4 e 641 328 etot -6.6493E+01 mv 1 30 2 -150 0 + 4 e 423 348 etot -8.4646E+01 mv 1 30 197 -146 0 + 4 e 655 329 etot -8.6365E+01 mv 1 30 2 -76 0 c 2 330.0 0.5 + 4 e 161 371 etot -6.6890E+01 mv 1 30 167 -134 0 + 4 e 237 366 etot -7.2183E+01 mv 1 30 91 -104 0 + 4 e 448 350 etot -7.2936E+01 mv 1 30 197 -68 0 + 4 e 204 370 etot -8.1938E+01 mv 1 30 91 -7 0 c 91 3.3 0.0 + 4 e 398 343 etot -8.4148E+01 mv 1 30 38 -19 0 + 4 e 233 373 etot -7.3225E+01 mv 1 30 167 -38 0 + 4 e 414 353 etot -7.4906E+01 mv 1 30 94 -133 0 + 4 e 255 372 etot -6.1433E+01 mv 1 30 167 -150 0 + -1 e 1 392 etot 1.3528E+20 mv 1 30 187 -53 0 + -1 e 1 393 etot 1.6162E+23 mv 1 30 187 -92 0 + 4 e 314 367 etot -8.2533E+01 mv 1 30 91 -132 0 c 91 18.7 0.6 + 4 e 200 375 etot -8.1622E+01 mv 1 30 167 -183 0 + 4 e 266 360 etot -8.3016E+01 mv 1 30 186 -68 0 + 4 e 203 376 etot -7.9617E+01 mv 1 30 7 -72 0 + -1 e 1 398 etot 1.3528E+20 mv 1 30 26 -135 0 + -1 e 1 399 etot 1.3528E+20 mv 1 30 26 -104 0 + 4 e 336 368 etot -7.6029E+01 mv 1 30 91 -89 0 + 4 e 642 342 etot -7.8478E+01 mv 1 30 38 -54 0 + 8 e 367 365 etot -6.3985E+01 mv 1 30 78 -179 0 + 4 e 235 374 etot -8.1620E+01 mv 1 30 167 -130 0 + 4 e 415 364 etot -8.0207E+01 mv 1 30 78 -137 0 + 4 e 470 359 etot -7.5825E+01 mv 1 30 186 -115 0 + 4 e 261 379 etot -8.0998E+01 mv 1 30 7 -151 0 + 4 e 358 354 etot -8.3380E+01 mv 1 30 94 -144 0 + 4 e 76 402 etot -8.7256E+01 mv 0 30 92 0 0 + 4 e 417 351 etot -8.3381E+01 mv 1 30 94 -71 0 + 4 e 107 401 etot -8.2451E+01 mv 0 30 10 0 0 c 10 1.0 0.0 + 4 e 83 405 etot -8.5692E+01 mv 0 30 45 0 0 c 45 1.6 0.0 + 4 e 114 404 etot -8.7421E+01 mv 0 30 36 0 0 c 36 0.8 0.0 + 4 e 119 403 etot -8.8087E+01 mv 0 30 101 0 0 c 101 1.7 0.0 + 4 e 613 334 etot -8.4329E+01 mv 1 30 65 -150 0 c 65 69.9 0.2 + 4 e 108 406 etot -8.5259E+01 mv 0 30 2 0 0 + 4 e 298 386 etot -8.0778E+01 mv 1 30 85 -89 0 + 4 e 71 408 etot -8.3887E+01 mv 0 30 80 0 0 + 4 e 126 407 etot -8.3900E+01 mv 0 30 65 0 0 + 4 e 416 361 etot -8.1216E+01 mv 1 30 78 -160 0 +## N0 total= 23 close= 12 far= 0 %acc 52.2 +## N1 total= 97 close= 14 far= 2 %acc 16.5 +## N2 total= 100 close= 6 far= 0 %acc 6.0 +## N3 total= 0 close= 0 far= 0 %acc 0.0 +## N4 total= 0 close= 0 far= 0 %acc 0.0 +## N5 total= 0 close= 0 far= 0 %acc 0.0 +## N6 total= 200 close= 29 far= 3 %acc 16.0 +## N7 total= 0 close= 0 far= 0 %acc 0.0 +## N8 total= 0 close= 0 far= 0 %acc 0.0 +## N9 total= 0 close= 0 far= 0 %acc 0.0 +##N10 total= 0 close= 0 far= 0 %acc 0.0 +##N11 total= 0 close= 0 far= 0 %acc 0.0 +##N12 total= 0 close= 0 far= 0 %acc 0.0 +##N13 total= 0 close= 0 far= 0 %acc 0.0 +##N14 total= 0 close= 0 far= 0 %acc 0.0 +##N15 total= 0 close= 0 far= 0 %acc 0.0 +##N16 total= 0 close= 0 far= 0 %acc 0.0 +##N17 total= 0 close= 0 far= 0 %acc 0.0 +##N18 total= 0 close= 0 far= 0 %acc 0.0 + Time for refresh 31 0.43 + make_var : nseed= 20 ntry= 420 + Time for make trial 32 0.11 +Nonsetup time 65.68 sec, Eval/s = 63298.49 +Time for iter 32 2.06 sec, Eval/s = 64289.03 + UPDATING 420 + 4 e 183 416 etot -8.1154E+01 mv 0 30 7 0 0 c 7 1.1 0.0 + 4 e 111 419 etot -8.0870E+01 mv 0 30 187 0 0 + 4 e 101 412 etot -8.3310E+01 mv 0 30 186 0 0 c 186 1.1 0.0 + 4 e 431 394 etot -7.9992E+01 mv 1 30 187 -96 0 + 4 e 426 383 etot -6.8177E+01 mv 1 30 12 -19 0 + 4 e 326 390 etot -8.1349E+01 mv 1 30 85 -102 0 + 4 e 328 409 etot -8.7215E+01 mv 0 30 38 0 0 + 4 e 150 417 etot -8.0910E+01 mv 0 30 12 0 0 c 12 1.6 0.0 + 4 e 545 378 etot -8.0357E+01 mv 1 30 7 -192 0 + 4 e 397 391 etot -7.7855E+01 mv 1 30 187 -194 0 + 4 e 648 384 etot -8.1117E+01 mv 1 30 12 -64 0 c 12 6.7 0.2 + 4 e 92 411 etot -8.3382E+01 mv 0 30 94 0 0 + 4 e 465 382 etot -7.8014E+01 mv 1 30 12 -164 0 + 4 e 288 396 etot -6.9705E+01 mv 1 30 26 -119 0 + 4 e 338 400 etot -6.6783E+01 mv 1 30 26 -45 0 + 4 e 136 414 etot -8.1938E+01 mv 0 30 91 0 0 + 4 e 399 388 etot -8.0925E+01 mv 1 30 85 -165 0 + 4 e 537 380 etot -8.0186E+01 mv 1 30 7 -184 0 + -1 e 1 11 etot 1.7260E+28 mv 6 31 84 67 0 + 4 e 318 395 etot -8.0869E+01 mv 1 30 187 -167 0 + 4 e 501 385 etot -8.0647E+01 mv 1 30 12 -172 0 + 4 e 466 377 etot -6.5492E+01 mv 1 30 7 -196 0 + 4 e 131 413 etot -8.3266E+01 mv 0 30 78 0 0 c 78 1.2 0.0 + -1 e 1 16 etot 1.3528E+20 mv 6 31 84 158 0 + 4 e 414 387 etot -8.1348E+01 mv 1 30 85 -31 0 + 4 e 619 381 etot -7.9347E+01 mv 1 30 12 -168 0 + 4 e 289 389 etot -7.0290E+01 mv 1 30 85 -174 0 + 4 e 72 415 etot -8.1623E+01 mv 0 30 167 0 0 + 4 e 96 420 etot -8.0827E+01 mv 0 30 26 0 0 + 4 e 506 362 etot -8.0614E+01 mv 1 30 78 -45 0 + 4 e 344 397 etot -8.0039E+01 mv 1 30 26 -197 0 + 4 e 156 418 etot -8.0926E+01 mv 0 30 85 0 0 + 4 e 121 410 etot -8.5961E+01 mv 0 30 197 0 0 c 197 0.9 0.0 + 4 e 84 14 etot -8.0246E+01 mv 6 31 84 21 0 c 21 0.8 0.0 + 4 e 165 9 etot -7.5514E+01 mv 6 31 125 91 0 + -1 e 1 35 etot 1.3528E+20 mv 6 31 51 66 0 + 4 e 182 21 etot -7.4730E+01 mv 6 31 1 38 0 + 4 e 191 17 etot -8.1278E+01 mv 6 31 84 15 0 + 4 e 114 34 etot -7.2123E+01 mv 6 31 51 52 0 + 4 e 206 5 etot -8.3970E+01 mv 6 31 125 186 0 c 186 52.6 0.7 + 4 e 233 19 etot -8.9605E+01 mv 6 31 84 116 0 + 4 e 237 20 etot -8.3008E+01 mv 6 31 84 186 0 + 4 e 263 30 etot -7.6153E+01 mv 6 31 1 196 0 + 4 e 250 2 etot -8.0745E+01 mv 6 31 125 75 0 + 4 e 265 13 etot -7.6057E+01 mv 6 31 84 42 0 + 4 e 308 7 etot -7.6934E+01 mv 6 31 125 153 0 + 4 e 292 27 etot -8.7939E+01 mv 6 31 1 21 0 c 1 4.1 0.0 + 4 e 286 10 etot -8.0269E+01 mv 6 31 125 195 0 + 4 e 326 33 etot -8.3263E+01 mv 6 31 51 123 0 c 10 119.4 0.8 + 4 e 400 6 etot -7.3125E+01 mv 6 31 125 143 0 + 4 e 329 28 etot -8.1514E+01 mv 6 31 1 64 0 + 4 e 334 32 etot -8.1367E+01 mv 6 31 51 72 0 f 129 361.8 1.4 + 4 e 345 26 etot -8.7406E+01 mv 6 31 1 92 0 c 92 3.0 0.0 + 4 e 362 12 etot -8.9605E+01 mv 6 31 84 32 0 + 4 e 369 1 etot -7.9354E+01 mv 6 31 125 106 0 + 4 e 262 40 etot -8.2338E+01 mv 6 31 51 194 0 + 4 e 422 25 etot -7.4780E+01 mv 6 31 1 63 0 + 4 e 150 44 etot -7.1074E+01 mv 6 31 38 5 0 + 4 e 81 54 etot -8.2310E+01 mv 6 31 65 43 0 c 43 0.3 0.0 + 4 e 550 4 etot -8.0913E+01 mv 6 31 125 95 0 f 81 418.0 1.0 + 4 e 173 50 etot -7.8018E+01 mv 6 31 38 94 0 + 4 e 504 23 etot -8.7938E+01 mv 6 31 1 46 0 + 4 e 238 41 etot -7.0499E+01 mv 6 31 38 183 0 + 4 e 330 39 etot -7.4176E+01 mv 6 31 51 105 0 + 4 e 536 22 etot -8.8113E+01 mv 6 31 1 188 0 c 1 60.3 0.2 + 4 e 357 37 etot -7.5759E+01 mv 6 31 51 100 0 + -1 e 1 66 etot 1.3528E+20 mv 6 31 62 54 0 + 4 e 326 36 etot -8.4282E+01 mv 6 31 51 31 0 + 4 e 331 46 etot -8.7216E+01 mv 6 31 38 188 0 c 38 1.9 0.0 + 4 e 463 3 etot -7.9886E+01 mv 6 31 125 3 0 + 4 e 248 48 etot -8.4628E+01 mv 6 31 38 30 0 + 4 e 212 49 etot -8.0816E+01 mv 6 31 38 23 0 + -1 e 1 72 etot 1.3528E+20 mv 6 31 183 136 0 + 4 e 637 15 etot -8.1369E+01 mv 6 31 84 108 0 + -1 e 1 74 etot 1.3528E+20 mv 6 31 183 133 0 + 4 e 586 18 etot -8.3199E+01 mv 6 31 84 85 0 + -1 e 1 76 etot 1.3528E+20 mv 6 31 183 129 0 + 4 e 246 59 etot -8.3627E+01 mv 6 31 65 28 0 + 4 e 663 8 etot -8.0506E+01 mv 6 31 125 46 0 + 4 e 358 43 etot -7.1703E+01 mv 6 31 38 103 0 + 4 e 280 51 etot -8.4136E+01 mv 6 31 65 29 0 + 4 e 635 31 etot -7.6328E+01 mv 6 31 51 22 0 + -1 e 1 81 etot 1.3528E+20 mv 6 31 25 36 0 + -1 e 1 82 etot 1.3528E+20 mv 6 31 25 145 0 + 4 e 430 42 etot -7.8967E+01 mv 6 31 38 72 0 + 4 e 637 29 etot -8.3607E+01 mv 6 31 1 190 0 + 4 e 311 60 etot -8.4145E+01 mv 6 31 65 48 0 + 4 e 701 24 etot -8.7937E+01 mv 6 31 1 87 0 + 4 e 337 61 etot -7.9725E+01 mv 6 31 62 142 0 + 4 e 520 38 etot -8.5993E+01 mv 6 31 51 70 0 c 51 147.0 1.7 + 4 e 401 57 etot -8.1272E+01 mv 6 31 65 76 0 + 4 e 250 69 etot -8.2543E+01 mv 6 31 62 145 0 + 4 e 344 62 etot -8.1364E+01 mv 6 31 62 153 0 f 17 389.3 1.4 + 4 e 602 45 etot -8.1838E+01 mv 6 31 38 9 0 + -1 e 1 94 etot 1.3528E+20 mv 6 31 2 142 0 + 4 e 313 58 etot -7.5208E+01 mv 6 31 65 171 0 + 4 e 217 78 etot -8.5771E+01 mv 6 31 183 135 0 + 4 e 124 87 etot -6.9314E+01 mv 6 31 25 123 0 + 4 e 361 67 etot -8.2794E+01 mv 6 31 62 158 0 + -1 e 1 99 etot 1.3528E+20 mv 6 31 2 173 0 + 4 e 122 84 etot -8.4159E+01 mv 6 31 25 137 0 c 137 0.8 0.0 + 4 e 393 64 etot -8.5011E+01 mv 6 31 62 187 0 c 180 247.1 1.2 + 4 e 533 56 etot -7.4365E+01 mv 6 31 65 28 0 + 4 e 115 93 etot -8.0265E+01 mv 6 31 2 72 0 c 72 1.4 0.0 + 4 e 237 73 etot -8.7463E+01 mv 6 31 183 54 0 c 183 1.7 0.0 + 4 e 482 47 etot -7.9060E+01 mv 6 31 38 172 0 + 4 e 191 80 etot -7.2094E+01 mv 6 31 183 188 0 + 4 e 248 85 etot -8.0860E+01 mv 6 31 25 181 0 + 4 e 489 63 etot -8.6593E+01 mv 6 31 62 1 0 + 4 e 318 79 etot -8.5793E+01 mv 6 31 183 138 0 + 4 e 441 71 etot -8.7601E+01 mv 6 31 183 17 0 c 183 15.4 0.1 + 4 e 517 65 etot -8.1288E+01 mv 6 31 62 120 0 + 4 e 134 103 etot -6.7529E+01 mv 6 31 190 32 0 + 4 e 182 86 etot -8.3388E+01 mv 6 31 25 26 0 + 4 e 480 53 etot -8.6795E+01 mv 6 31 65 45 0 c 157 187.6 3.4 + 4 e 323 89 etot -8.6308E+01 mv 6 31 25 54 0 c 25 104.0 1.1 + 4 e 336 91 etot -8.6368E+01 mv 6 31 2 92 0 c 2 4.6 0.0 + 4 e 623 68 etot -8.7938E+01 mv 6 31 62 1 0 + 4 e 258 100 etot -8.7065E+01 mv 6 31 2 192 0 c 192 46.1 0.4 + 4 e 500 77 etot -8.7601E+01 mv 6 31 183 56 0 + 4 e 353 92 etot -8.4302E+01 mv 6 31 2 158 0 c 158 29.9 0.2 + 4 e 550 75 etot -8.4120E+01 mv 6 31 183 194 0 + 4 e 630 55 etot -7.9060E+01 mv 6 31 65 34 0 + 4 e 345 95 etot -7.9524E+01 mv 6 31 2 154 0 + 4 e 391 90 etot -9.1232E+01 mv 6 31 25 33 0 + 4 e 322 97 etot -8.6368E+01 mv 6 31 2 109 0 + 4 e 638 52 etot -8.4142E+01 mv 6 31 65 121 0 + 4 e 224 109 etot -7.7722E+01 mv 6 31 190 172 0 + 4 e 336 96 etot -8.6492E+01 mv 6 31 2 193 0 + 4 e 284 104 etot -8.2853E+01 mv 6 31 190 55 0 + 4 e 334 98 etot -8.3921E+01 mv 6 31 2 138 0 + 4 e 222 110 etot -8.3940E+01 mv 6 31 190 175 0 c 190 3.1 0.0 + 4 e 610 70 etot -8.0336E+01 mv 6 31 62 107 0 + 4 e 240 101 etot -8.3940E+01 mv 6 31 190 41 0 + 4 e 262 111 etot -8.4426E+01 mv 6 31 105 147 0 + 4 e 357 83 etot -8.6308E+01 mv 6 31 25 44 0 + -1 e 1 136 etot 1.3528E+20 mv 6 31 130 128 0 + 4 e 340 108 etot -7.5724E+01 mv 6 31 190 107 0 + 4 e 551 88 etot -8.5213E+01 mv 6 31 25 96 0 + 4 e 221 106 etot -8.3940E+01 mv 6 31 190 91 0 c 190 0.9 0.0 + 4 e 240 120 etot -8.4166E+01 mv 6 31 105 7 0 c 105 38.6 0.3 + 4 e 277 117 etot -8.0378E+01 mv 6 31 105 192 0 + 4 e 188 131 etot -8.1542E+01 mv 6 31 130 125 0 c 87 154.1 1.0 + 4 e 192 132 etot -8.3185E+01 mv 6 31 130 1 0 + 4 e 158 127 etot -8.5478E+01 mv 6 31 18 70 0 + 4 e 274 122 etot -7.6752E+01 mv 6 31 18 187 0 + 4 e 237 129 etot -8.1951E+01 mv 6 31 18 71 0 + 4 e 143 134 etot -6.9180E+01 mv 6 31 130 55 0 + 4 e 316 118 etot -8.0516E+01 mv 6 31 105 98 0 + 4 e 201 133 etot -8.3185E+01 mv 6 31 130 14 0 c 130 3.1 0.0 + 4 e 562 102 etot -8.2057E+01 mv 6 31 190 79 0 + 4 e 246 130 etot -7.8099E+01 mv 6 31 18 71 0 + 4 e 336 107 etot -8.0642E+01 mv 6 31 190 165 0 f 189 389.9 0.7 + -1 e 1 153 etot 1.3528E+20 mv 6 31 169 136 0 + 4 e 265 126 etot -8.3369E+01 mv 6 31 18 42 0 c 18 3.6 0.0 + 4 e 387 116 etot -8.3980E+01 mv 6 31 105 142 0 + 4 e 325 124 etot -7.6584E+01 mv 6 31 18 135 0 + 4 e 322 128 etot -8.0713E+01 mv 6 31 18 67 0 + 4 e 524 112 etot -8.0385E+01 mv 6 31 105 155 0 + -1 e 1 159 etot 1.3528E+20 mv 6 31 169 135 0 + 4 e 393 121 etot -8.3595E+01 mv 6 31 18 25 0 + 4 e 414 119 etot -8.5623E+01 mv 6 31 105 16 0 c 105 18.9 1.5 + 4 e 399 123 etot -7.4215E+01 mv 6 31 18 168 0 + 4 e 329 115 etot -8.1626E+01 mv 6 31 105 188 0 + 4 e 245 139 etot -8.5060E+01 mv 6 31 130 181 0 + 4 e 566 113 etot -7.9677E+01 mv 6 31 105 108 0 + 4 e 359 114 etot -7.9894E+01 mv 6 31 105 85 0 + 4 e 222 143 etot -7.6166E+01 mv 6 31 154 50 0 + 4 e 207 146 etot -8.1529E+01 mv 6 31 154 71 0 + 4 e 455 125 etot -8.2883E+01 mv 6 31 18 189 0 + 4 e 256 142 etot -8.3543E+01 mv 6 31 154 30 0 + 4 e 302 141 etot -7.3070E+01 mv 6 31 154 88 0 + -1 e 1 172 etot 1.3528E+20 mv 6 31 142 16 0 + 4 e 409 138 etot -8.2984E+01 mv 6 31 130 100 0 + 4 e 267 149 etot -8.3334E+01 mv 6 31 154 163 0 + 4 e 309 144 etot -7.9487E+01 mv 6 31 154 40 0 + 4 e 293 151 etot -6.2873E+01 mv 6 31 169 102 0 + 4 e 276 150 etot -8.2163E+01 mv 6 31 154 67 0 + 4 e 226 157 etot -8.3091E+01 mv 6 31 169 20 0 c 169 3.5 0.0 + 4 e 218 162 etot -8.3053E+01 mv 6 31 167 50 0 + 4 e 193 166 etot -7.7029E+01 mv 6 31 167 149 0 + 4 e 227 154 etot -7.0838E+01 mv 6 31 169 1 0 + 4 e 264 158 etot -8.2276E+01 mv 6 31 169 102 0 + 4 e 285 156 etot -7.8938E+01 mv 6 31 169 97 0 + 4 e 244 145 etot -8.0901E+01 mv 6 31 154 152 0 f 153 356.7 0.7 + 4 e 305 140 etot -8.3948E+01 mv 6 31 130 136 0 c 136 66.9 0.2 + 4 e 364 155 etot -8.3099E+01 mv 6 31 169 154 0 c 169 148.7 0.0 + -1 e 1 187 etot 4.1926E+34 mv 6 31 175 95 0 + 4 e 397 147 etot -7.5147E+01 mv 6 31 154 51 0 + 4 e 331 160 etot -7.1807E+01 mv 6 31 169 122 0 + 4 e 188 170 etot -8.2032E+01 mv 6 31 167 196 0 + 4 e 398 152 etot -8.1875E+01 mv 6 31 169 133 0 + 4 e 171 164 etot -8.2204E+01 mv 6 31 167 110 0 c 167 44.5 0.2 + 4 e 606 135 etot -8.5447E+01 mv 6 31 130 59 0 + 4 e 225 168 etot -8.0392E+01 mv 6 31 167 137 0 + 4 e 331 163 etot -8.4565E+01 mv 6 31 167 79 0 c 167 298.3 2.4 + 4 e 147 176 etot -6.8423E+01 mv 6 31 142 177 0 + -1 e 1 197 etot 1.3528E+20 mv 6 31 108 154 0 + 4 e 331 148 etot -7.6986E+01 mv 6 31 154 133 0 + -1 e 1 199 etot 1.3528E+20 mv 6 31 108 41 0 + 4 e 681 105 etot -8.4208E+01 mv 6 31 190 65 0 + 4 e 389 161 etot -8.4922E+01 mv 6 31 167 50 0 c 50 38.8 0.7 + 4 e 210 178 etot -7.2750E+01 mv 6 31 142 35 0 + 4 e 307 171 etot -7.4599E+01 mv 6 31 142 107 0 + 4 e 194 181 etot -8.1910E+01 mv 6 31 175 194 0 + 4 e 398 165 etot -7.6542E+01 mv 6 31 167 176 0 + 4 e 168 188 etot -8.1910E+01 mv 6 31 175 104 0 + 4 e 443 137 etot -7.9312E+01 mv 6 31 130 200 0 + 4 e 236 183 etot -6.8119E+01 mv 6 31 175 170 0 + 4 e 281 179 etot -8.5077E+01 mv 6 31 142 169 0 + 4 e 199 190 etot -8.1575E+01 mv 6 31 175 84 0 + 4 e 205 189 etot -8.5692E+01 mv 6 31 175 45 0 + 4 e 187 182 etot -8.1523E+01 mv 6 31 175 59 0 + 4 e 279 184 etot -7.6159E+01 mv 6 31 175 198 0 + 4 e 410 169 etot -7.8443E+01 mv 6 31 167 134 0 + 4 e 281 167 etot -7.9416E+01 mv 6 31 167 125 0 + 4 e 195 185 etot -7.8323E+01 mv 6 31 175 42 0 + 4 e 197 196 etot -5.9847E+01 mv 6 31 108 198 0 + 4 e 328 180 etot -7.7143E+01 mv 6 31 142 180 0 + 4 e 277 195 etot -8.1686E+01 mv 6 31 108 197 0 + 4 e 300 194 etot -8.1686E+01 mv 6 31 108 193 0 + 4 e 223 205 etot -5.9259E+01 mv 2 31 125 -37 0 + 4 e 297 198 etot -5.8779E+01 mv 6 31 108 190 0 + 4 e 454 175 etot -7.5814E+01 mv 6 31 142 53 0 + 4 e 413 192 etot -8.2414E+01 mv 6 31 108 9 0 c 108 155.9 0.7 + 4 e 549 174 etot -8.3661E+01 mv 6 31 142 28 0 + 4 e 528 177 etot -7.1023E+01 mv 6 31 142 29 0 + 4 e 440 191 etot -6.5539E+01 mv 6 31 108 159 0 + 4 e 345 203 etot -6.1280E+01 mv 2 31 125 -155 0 + 4 e 306 186 etot -8.1909E+01 mv 6 31 175 45 0 + 4 e 298 193 etot -5.8416E+01 mv 6 31 108 113 0 + 4 e 256 201 etot -7.6861E+01 mv 2 31 125 -189 0 + 4 e 336 206 etot -8.4289E+01 mv 2 31 84 -176 0 + 4 e 290 211 etot -7.3359E+01 mv 2 31 1 -92 0 + 4 e 329 210 etot -8.1303E+01 mv 2 31 84 -75 0 + 4 e 309 215 etot -7.7233E+01 mv 2 31 1 -100 0 + 4 e 695 173 etot -7.8646E+01 mv 6 31 142 186 0 + 4 e 313 200 etot -8.1686E+01 mv 6 31 108 198 0 + 4 e 357 214 etot -6.9694E+01 mv 2 31 1 -44 0 + 4 e 242 221 etot -8.3596E+01 mv 2 31 38 -52 0 + 4 e 287 208 etot -8.3459E+01 mv 2 31 84 -73 0 + 4 e 373 219 etot -6.8799E+01 mv 2 31 51 -132 0 + 4 e 225 224 etot -8.1106E+01 mv 2 31 38 -92 0 + -1 e 1 243 etot 1.3528E+20 mv 2 31 25 -91 0 + 4 e 453 209 etot -7.9110E+01 mv 2 31 84 -60 0 + 4 e 281 216 etot -8.3080E+01 mv 2 31 51 -119 0 + 4 e 535 204 etot -7.3000E+01 mv 2 31 125 -120 0 + 4 e 319 213 etot -6.9445E+01 mv 2 31 1 -22 0 + 4 e 595 202 etot -7.3412E+01 mv 2 31 125 -104 0 + 4 e 535 207 etot -7.8159E+01 mv 2 31 84 -136 0 + 4 e 333 217 etot -6.7275E+01 mv 2 31 51 -12 0 + 4 e 535 212 etot -6.4794E+01 mv 2 31 1 -195 0 + 4 e 320 227 etot -7.3414E+01 mv 2 31 65 -82 0 + 4 e 476 220 etot -8.2495E+01 mv 2 31 51 -73 0 + 4 e 548 218 etot -7.0015E+01 mv 2 31 51 -139 0 + 4 e 381 229 etot -7.1719E+01 mv 2 31 65 -153 0 + 4 e 461 223 etot -8.3671E+01 mv 2 31 38 -62 0 + -1 e 1 257 etot 1.3528E+20 mv 2 31 105 -108 0 + 4 e 338 236 etot -8.7463E+01 mv 2 31 183 -103 0 + 4 e 388 234 etot -7.1105E+01 mv 2 31 62 -169 0 + 4 e 471 226 etot -7.2246E+01 mv 2 31 65 -186 0 + 4 e 264 245 etot -8.5216E+01 mv 2 31 25 -91 0 + 4 e 490 225 etot -8.7214E+01 mv 2 31 38 -86 0 + -1 e 1 263 etot 1.3528E+20 mv 2 31 18 -22 0 + 4 e 469 228 etot -6.5199E+01 mv 2 31 65 -153 0 + -1 e 1 265 etot 1.3528E+20 mv 2 31 18 -142 0 + 4 e 244 253 etot -7.5454E+01 mv 2 31 190 -92 0 + 4 e 525 233 etot -7.7194E+01 mv 2 31 62 -144 0 + 4 e 644 222 etot -8.0841E+01 mv 2 31 38 -99 0 f 90 504.6 0.7 + 4 e 453 239 etot -8.6012E+01 mv 2 31 183 -10 0 + 4 e 265 246 etot -8.0222E+01 mv 2 31 2 -99 0 + -1 e 1 271 etot 1.3528E+20 mv 2 31 154 -96 0 + 4 e 319 252 etot -7.0227E+01 mv 2 31 190 -8 0 + 4 e 363 249 etot -8.3711E+01 mv 2 31 2 -102 0 + 4 e 465 240 etot -8.4645E+01 mv 2 31 183 -24 0 + 4 e 543 237 etot -5.8877E+01 mv 2 31 183 -165 0 + 4 e 357 250 etot -8.6368E+01 mv 2 31 2 -147 0 c 2 2.0 0.0 + 4 e 308 241 etot -8.5216E+01 mv 2 31 25 -134 0 + 4 e 429 230 etot -8.5535E+01 mv 2 31 65 -71 0 c 198 75.3 0.5 + -1 e 1 279 etot 1.3528E+20 mv 2 31 169 -41 0 + 4 e 600 235 etot -8.2457E+01 mv 2 31 62 -61 0 + 4 e 441 247 etot -8.1856E+01 mv 2 31 2 -137 0 + -1 e 1 282 etot 1.3528E+20 mv 2 31 167 -135 0 + -1 e 1 283 etot 1.3528E+20 mv 2 31 167 -18 0 + 4 e 340 255 etot -8.3979E+01 mv 2 31 190 -30 0 c 190 156.3 0.0 + 4 e 500 232 etot -7.0617E+01 mv 2 31 62 -30 0 + 4 e 381 254 etot -7.7415E+01 mv 2 31 190 -143 0 + 4 e 313 260 etot -7.2369E+01 mv 2 31 105 -110 0 + 4 e 586 244 etot -8.5214E+01 mv 2 31 25 -143 0 + 4 e 166 276 etot -8.3091E+01 mv 2 31 169 -137 0 + 4 e 351 261 etot -7.0358E+01 mv 2 31 18 -159 0 + 4 e 421 258 etot -7.3658E+01 mv 2 31 105 -157 0 + 4 e 151 281 etot -8.0591E+01 mv 2 31 167 -37 0 + 4 e 642 242 etot -7.5038E+01 mv 2 31 25 -156 0 + 4 e 562 231 etot -8.4571E+01 mv 2 31 62 -146 0 c 62 126.6 0.0 + 4 e 335 266 etot -8.2379E+01 mv 2 31 130 -131 0 + 4 e 421 259 etot -8.2998E+01 mv 2 31 105 -82 0 + 4 e 387 264 etot -7.8480E+01 mv 2 31 18 -43 0 + 4 e 272 269 etot -8.1354E+01 mv 2 31 130 -49 0 + 4 e 402 262 etot -7.4835E+01 mv 2 31 18 -143 0 + 4 e 290 270 etot -8.0468E+01 mv 2 31 130 -144 0 + 4 e 174 285 etot -8.2032E+01 mv 2 31 167 -21 0 + 4 e 332 268 etot -6.7205E+01 mv 2 31 130 -19 0 + 4 e 130 286 etot -6.7089E+01 mv 2 31 142 -190 0 + 4 e 468 248 etot -6.8606E+01 mv 2 31 2 -71 0 + 4 e 374 267 etot -7.2898E+01 mv 2 31 130 -124 0 + 4 e 290 275 etot -7.1406E+01 mv 2 31 154 -76 0 + 4 e 560 238 etot -8.0837E+01 mv 2 31 183 -14 0 c 44 282.1 0.1 + 4 e 207 287 etot -6.1608E+01 mv 2 31 142 -20 0 + 4 e 564 256 etot -8.2995E+01 mv 2 31 105 -114 0 + 4 e 157 292 etot -6.6677E+01 mv 2 31 175 -31 0 + 4 e 337 277 etot -7.6870E+01 mv 2 31 169 -185 0 + -1 e 1 312 etot 1.3528E+20 mv 1 31 1 -53 0 + -1 e 1 313 etot 1.3528E+20 mv 1 31 1 -84 0 + 4 e 311 284 etot -8.2031E+01 mv 2 31 167 -189 0 + 4 e 193 293 etot -6.7501E+01 mv 2 31 175 -101 0 + 4 e 215 294 etot -6.7384E+01 mv 2 31 175 -163 0 + 4 e 204 297 etot -4.8755E+01 mv 2 31 108 -12 0 + 4 e 149 295 etot -7.0606E+01 mv 2 31 175 -142 0 + 4 e 450 274 etot -7.0165E+01 mv 2 31 154 -155 0 + 4 e 255 300 etot -7.8842E+01 mv 2 31 108 -8 0 + -1 e 1 321 etot 1.3528E+20 mv 1 31 38 -63 0 + 4 e 507 273 etot -7.6785E+01 mv 2 31 154 -196 0 + 4 e 393 288 etot -7.9690E+01 mv 2 31 142 -158 0 + 4 e 357 291 etot -6.9911E+01 mv 2 31 175 -14 0 + 4 e 182 310 etot -8.9605E+01 mv 1 31 84 -133 0 + -1 e 1 326 etot 5.4176E+26 mv 1 31 65 -161 0 + 4 e 307 298 etot -5.8130E+01 mv 2 31 108 -191 0 + 4 e 367 278 etot -5.8334E+01 mv 2 31 169 -93 0 + 4 e 137 317 etot -5.6331E+01 mv 1 31 51 -192 0 + 4 e 288 302 etot -6.8288E+01 mv 1 31 125 -198 0 + 4 e 608 251 etot -7.9099E+01 mv 2 31 190 -167 0 + 4 e 253 306 etot -8.9605E+01 mv 1 31 84 -74 0 + 4 e 392 272 etot -7.3240E+01 mv 2 31 154 -180 0 + 4 e 381 280 etot -7.7814E+01 mv 2 31 169 -194 0 + 4 e 262 309 etot -8.8479E+01 mv 1 31 84 -142 0 + 4 e 350 301 etot -6.9355E+01 mv 1 31 125 -69 0 + 4 e 502 289 etot -6.9658E+01 mv 2 31 142 -199 0 + 4 e 250 316 etot -8.4282E+01 mv 1 31 51 -176 0 + -1 e 1 339 etot 1.3528E+20 mv 1 31 183 -41 0 + 4 e 351 307 etot -6.5673E+01 mv 1 31 84 -136 0 + 4 e 366 303 etot -7.8782E+01 mv 1 31 125 -199 0 + 4 e 254 308 etot -8.6121E+01 mv 1 31 84 -43 0 + 4 e 171 325 etot -8.7217E+01 mv 1 31 38 -130 0 c 38 1.4 0.0 + 4 e 356 314 etot -8.4230E+01 mv 1 31 1 -9 0 + 4 e 512 296 etot -5.5495E+01 mv 2 31 108 -104 0 + 4 e 575 290 etot -8.2706E+01 mv 2 31 142 -69 0 + 4 e 392 320 etot -7.4458E+01 mv 1 31 51 -83 0 + -1 e 1 348 etot 1.3528E+20 mv 1 31 2 -175 0 + 4 e 493 315 etot -7.7089E+01 mv 1 31 1 -10 0 + 4 e 309 330 etot -7.6526E+01 mv 1 31 65 -99 0 + 4 e 390 323 etot -8.5596E+01 mv 1 31 38 -154 0 + 4 e 672 299 etot -8.0197E+01 mv 2 31 108 -105 0 + 4 e 464 322 etot -8.1575E+01 mv 1 31 38 -62 0 + 4 e 434 328 etot -7.2748E+01 mv 1 31 65 -75 0 + -1 e 1 354 etot 1.3528E+20 mv 1 31 190 -156 0 + 4 e 325 338 etot -8.6784E+01 mv 1 31 183 -131 0 + 4 e 464 305 etot -7.0391E+01 mv 1 31 125 -48 0 + 4 e 274 335 etot -8.4537E+01 mv 1 31 62 -157 0 + 4 e 423 331 etot -8.4535E+01 mv 1 31 62 -28 0 + 4 e 457 327 etot -8.3625E+01 mv 1 31 65 -131 0 + 4 e 569 318 etot -8.4089E+01 mv 1 31 51 -87 0 + 4 e 501 324 etot -8.7213E+01 mv 1 31 38 -142 0 + 4 e 398 337 etot -8.2686E+01 mv 1 31 183 -16 0 c 99 130.1 1.3 + 4 e 284 346 etot -8.6368E+01 mv 1 31 2 -154 0 + 4 e 508 304 etot -7.8223E+01 mv 1 31 125 -97 0 + 4 e 346 332 etot -7.4221E+01 mv 1 31 62 -73 0 + 4 e 347 344 etot -7.5951E+01 mv 1 31 25 -199 0 + 4 e 717 311 etot -8.2263E+01 mv 1 31 1 -196 0 + 4 e 518 333 etot -7.9732E+01 mv 1 31 62 -75 0 + 4 e 429 340 etot -8.7462E+01 mv 1 31 183 -63 0 + 4 e 453 341 etot -8.5215E+01 mv 1 31 25 -26 0 + -1 e 1 372 etot 1.3528E+20 mv 1 31 154 -44 0 + 4 e 510 336 etot -8.5905E+01 mv 1 31 183 -50 0 + 4 e 469 319 etot -7.2783E+01 mv 1 31 51 -192 0 + 4 e 296 351 etot -8.2246E+01 mv 1 31 190 -101 0 + 4 e 415 334 etot -7.8594E+01 mv 1 31 62 -26 0 + -1 e 1 377 etot 1.3528E+20 mv 1 31 169 -57 0 + 4 e 282 352 etot -8.3940E+01 mv 1 31 190 -155 0 + -1 e 1 379 etot 1.3528E+20 mv 1 31 169 -18 0 + 4 e 188 361 etot -7.0215E+01 mv 1 31 18 -24 0 + 4 e 336 350 etot -7.7597E+01 mv 1 31 2 -122 0 + 4 e 252 356 etot -8.3840E+01 mv 1 31 105 -170 0 + -1 e 1 383 etot 1.3528E+20 mv 1 31 167 -59 0 + 4 e 312 353 etot -7.1019E+01 mv 1 31 190 -16 0 + 4 e 606 342 etot -8.5435E+01 mv 1 31 25 -121 0 + 4 e 247 365 etot -6.8781E+01 mv 1 31 18 -151 0 + 4 e 571 345 etot -8.6113E+01 mv 1 31 25 -178 0 + 4 e 292 360 etot -8.4166E+01 mv 1 31 105 -30 0 + 4 e 270 364 etot -8.4192E+01 mv 1 31 18 -31 0 c 18 28.6 0.8 + 4 e 207 370 etot -8.2248E+01 mv 1 31 130 -151 0 + 4 e 180 366 etot -8.3185E+01 mv 1 31 130 -85 0 c 130 2.1 0.0 + 4 e 255 369 etot -7.2838E+01 mv 1 31 130 -117 0 + 4 e 342 355 etot -7.8300E+01 mv 1 31 190 -99 0 + 4 e 293 362 etot -7.6129E+01 mv 1 31 18 -73 0 + 4 e 173 385 etot -8.2032E+01 mv 1 31 167 -7 0 + 4 e 442 357 etot -7.4410E+01 mv 1 31 105 -64 0 + 4 e 302 359 etot -7.9729E+01 mv 1 31 105 -57 0 + 4 e 620 329 etot -7.7969E+01 mv 1 31 65 -44 0 + 4 e 316 358 etot -8.0146E+01 mv 1 31 105 -134 0 + -1 e 1 400 etot 1.3528E+20 mv 1 31 108 -82 0 + 4 e 670 347 etot -7.9186E+01 mv 1 31 2 -68 0 + 4 e 252 380 etot -8.3091E+01 mv 1 31 169 -11 0 + 4 e 341 371 etot -8.4091E+01 mv 1 31 154 -121 0 + 4 e 397 368 etot -7.8741E+01 mv 1 31 130 -133 0 + 4 e 367 374 etot -8.4092E+01 mv 1 31 154 -4 0 + 4 e 174 394 etot -8.1910E+01 mv 1 31 175 -102 0 c 175 0.9 0.0 + 4 e 282 384 etot -7.2952E+01 mv 1 31 167 -142 0 + 4 e 56 402 etot -8.9606E+01 mv 0 31 84 0 0 c 84 0.1 0.0 + 4 e 203 391 etot -8.2099E+01 mv 1 31 175 -104 0 c 175 24.9 0.2 + 4 e 73 405 etot -8.7217E+01 mv 0 31 38 0 0 c 38 0.7 0.0 + 4 e 662 349 etot -7.6393E+01 mv 1 31 2 -21 0 + 4 e 258 386 etot -8.2021E+01 mv 1 31 142 -157 0 c 142 3.4 0.0 + 4 e 236 393 etot -5.8422E+01 mv 1 31 175 -109 0 + 4 e 80 401 etot -8.0721E+01 mv 0 31 125 0 0 c 125 2.4 0.0 + 4 e 127 404 etot -8.4283E+01 mv 0 31 51 0 0 + 4 e 609 343 etot -7.9526E+01 mv 1 31 25 -64 0 + 4 e 82 408 etot -8.7464E+01 mv 0 31 183 0 0 + 4 e 396 381 etot -8.2031E+01 mv 1 31 167 -128 0 + 4 e 422 376 etot -7.7862E+01 mv 1 31 169 -83 0 +## N0 total= 17 close= 8 far= 0 %acc 47.1 +## N1 total= 103 close= 8 far= 0 %acc 7.8 +## N2 total= 100 close= 5 far= 1 %acc 6.0 +## N3 total= 0 close= 0 far= 0 %acc 0.0 +## N4 total= 0 close= 0 far= 0 %acc 0.0 +## N5 total= 0 close= 0 far= 0 %acc 0.0 +## N6 total= 200 close= 33 far= 5 %acc 19.0 +## N7 total= 0 close= 0 far= 0 %acc 0.0 +## N8 total= 0 close= 0 far= 0 %acc 0.0 +## N9 total= 0 close= 0 far= 0 %acc 0.0 +##N10 total= 0 close= 0 far= 0 %acc 0.0 +##N11 total= 0 close= 0 far= 0 %acc 0.0 +##N12 total= 0 close= 0 far= 0 %acc 0.0 +##N13 total= 0 close= 0 far= 0 %acc 0.0 +##N14 total= 0 close= 0 far= 0 %acc 0.0 +##N15 total= 0 close= 0 far= 0 %acc 0.0 +##N16 total= 0 close= 0 far= 0 %acc 0.0 +##N17 total= 0 close= 0 far= 0 %acc 0.0 +##N18 total= 0 close= 0 far= 0 %acc 0.0 + Time for refresh 32 0.31 + make_var : nseed= 20 ntry= 420 + Time for make trial 33 0.04 +Nonsetup time 67.53 sec, Eval/s = 63477.41 +Time for iter 33 1.86 sec, Eval/s = 69810.39 + UPDATING 420 + 4 e 519 389 etot -8.2706E+01 mv 1 31 142 -38 0 c 142 100.0 0.7 + 4 e 160 403 etot -8.7940E+01 mv 0 31 1 0 0 + 4 e 70 419 etot -8.1910E+01 mv 0 31 175 0 0 + 4 e 149 406 etot -8.4331E+01 mv 0 31 65 0 0 c 65 2.8 0.0 + 4 e 367 396 etot -8.1686E+01 mv 1 31 108 -123 0 + 4 e 357 390 etot -8.2020E+01 mv 1 31 142 -171 0 + 4 e 313 412 etot -8.4166E+01 mv 0 31 105 0 0 + 4 e 100 414 etot -8.3185E+01 mv 0 31 130 0 0 c 130 1.4 0.0 + 4 e 616 397 etot -7.9425E+01 mv 1 31 108 -120 0 + 4 e 721 373 etot -5.7364E+01 mv 1 31 154 -48 0 + 4 e 121 418 etot -8.2021E+01 mv 0 31 142 0 0 + 4 e 315 388 etot -7.6148E+01 mv 1 31 142 -190 0 + 4 e 147 416 etot -8.3091E+01 mv 0 31 169 0 0 + -1 e 1 4 etot 1.3528E+20 mv 6 32 10 83 0 + 4 e 166 410 etot -8.6369E+01 mv 0 31 2 0 0 c 2 1.1 0.0 + 4 e 435 395 etot -8.1909E+01 mv 1 31 175 -72 0 + 4 e 127 413 etot -8.3370E+01 mv 0 31 18 0 0 + 4 e 439 387 etot -7.0617E+01 mv 1 31 142 -14 0 + 4 e 156 409 etot -8.5216E+01 mv 0 31 25 0 0 + -1 e 1 10 etot 1.3528E+20 mv 6 32 10 79 0 + -1 e 1 12 etot 1.3528E+20 mv 6 32 1 185 0 + 4 e 157 411 etot -8.3940E+01 mv 0 31 190 0 0 + 4 e 99 420 etot -8.1687E+01 mv 0 31 108 0 0 + 4 e 613 363 etot -8.0045E+01 mv 1 31 18 -54 0 + -1 e 1 18 etot 1.3528E+20 mv 6 32 1 41 0 + 4 e 142 407 etot -8.4537E+01 mv 0 31 62 0 0 + -1 e 1 19 etot 1.3528E+20 mv 6 32 1 69 0 + 4 e 416 382 etot -7.7970E+01 mv 1 31 167 -126 0 + 4 e 439 375 etot -8.4151E+01 mv 1 31 154 -72 0 c 154 19.1 0.1 + 4 e 238 398 etot -5.1985E+01 mv 1 31 108 -12 0 + -1 e 1 23 etot 1.3528E+20 mv 6 32 162 154 0 + 4 e 490 399 etot -6.6004E+01 mv 1 31 108 -3 0 + 4 e 420 378 etot -7.3936E+01 mv 1 31 169 -142 0 + 4 e 84 415 etot -8.4092E+01 mv 0 31 154 0 0 + 4 e 106 417 etot -8.2032E+01 mv 0 31 167 0 0 + 4 e 442 367 etot -8.1991E+01 mv 1 31 130 -82 0 + 4 e 685 392 etot -8.1908E+01 mv 1 31 175 -199 0 + 4 e 130 25 etot -8.6807E+01 mv 6 32 162 50 0 c 162 1.3 0.0 + 4 e 150 8 etot -6.7655E+01 mv 6 32 10 31 0 + -1 e 1 39 etot 1.3528E+20 mv 6 32 157 70 0 + 4 e 159 11 etot -7.9361E+01 mv 6 32 1 110 0 + 4 e 157 7 etot -8.3263E+01 mv 6 32 10 47 0 c 10 1.7 0.0 + 4 e 191 21 etot -8.0945E+01 mv 6 32 162 52 0 c 52 2.7 0.0 + -1 e 1 43 etot 1.3528E+20 mv 6 32 25 75 0 + 4 e 240 1 etot -8.3263E+01 mv 6 32 10 89 0 + 4 e 260 36 etot -6.5903E+01 mv 6 32 157 144 0 + 4 e 214 24 etot -8.6806E+01 mv 6 32 162 4 0 + -1 e 1 46 etot 1.3528E+20 mv 6 32 25 169 0 + 4 e 261 22 etot -8.6806E+01 mv 6 32 162 65 0 + 4 e 273 37 etot -8.5210E+01 mv 6 32 157 8 0 c 57 195.2 2.3 + -1 e 1 49 etot 1.3528E+20 mv 6 32 25 164 0 + 4 e 248 29 etot -8.6611E+01 mv 6 32 162 67 0 c 67 218.2 2.3 + 4 e 256 3 etot -8.2006E+01 mv 6 32 10 76 0 + 4 e 292 32 etot -8.2330E+01 mv 6 32 157 179 0 + 4 e 305 9 etot -8.3448E+01 mv 6 32 10 15 0 + 4 e 241 28 etot -7.5298E+01 mv 6 32 162 198 0 + 4 e 297 31 etot -8.6797E+01 mv 6 32 157 181 0 c 157 2.4 0.0 + 4 e 339 15 etot -8.7255E+01 mv 6 32 1 198 0 + 4 e 332 26 etot -8.7216E+01 mv 6 32 162 38 0 + 4 e 360 20 etot -8.6120E+01 mv 6 32 1 138 0 + 4 e 400 5 etot -8.2943E+01 mv 6 32 10 145 0 + 4 e 412 14 etot -8.5877E+01 mv 6 32 1 161 0 + 4 e 385 27 etot -8.3201E+01 mv 6 32 162 40 0 + 4 e 407 34 etot -8.4869E+01 mv 6 32 157 192 0 + 4 e 215 44 etot -7.1902E+01 mv 6 32 25 93 0 + 4 e 418 35 etot -8.2550E+01 mv 6 32 157 164 0 + 4 e 324 42 etot -6.8727E+01 mv 6 32 25 150 0 + 4 e 175 51 etot -8.6839E+01 mv 6 32 105 20 0 c 180 164.7 1.8 + 4 e 345 38 etot -8.3935E+01 mv 6 32 157 172 0 + 4 e 461 13 etot -8.8113E+01 mv 6 32 1 2 0 c 1 4.0 0.0 + -1 e 1 70 etot 8.0152E+26 mv 6 32 62 19 0 + 4 e 575 6 etot -7.6668E+01 mv 6 32 10 199 0 + -1 e 1 72 etot 1.3528E+20 mv 6 32 167 158 0 + 4 e 544 17 etot -8.7937E+01 mv 6 32 1 189 0 + 4 e 360 41 etot -6.9853E+01 mv 6 32 25 122 0 + 4 e 256 47 etot -8.6137E+01 mv 6 32 25 161 0 + 4 e 218 52 etot -8.1796E+01 mv 6 32 105 29 0 + 4 e 536 30 etot -7.9098E+01 mv 6 32 162 21 0 + -1 e 1 78 etot 1.3528E+20 mv 6 32 167 34 0 + 4 e 242 54 etot -8.3444E+01 mv 6 32 105 182 0 + 4 e 405 40 etot -8.6178E+01 mv 6 32 157 119 0 + 4 e 562 2 etot -7.3298E+01 mv 6 32 10 17 0 + 4 e 249 55 etot -8.4092E+01 mv 6 32 105 85 0 + 4 e 333 45 etot -7.8585E+01 mv 6 32 25 6 0 + 4 e 238 59 etot -8.5624E+01 mv 6 32 105 43 0 c 105 2.6 0.0 + -1 e 1 85 etot 1.3528E+20 mv 6 32 158 166 0 + 4 e 574 16 etot -7.9443E+01 mv 6 32 1 187 0 + 4 e 300 62 etot -8.0078E+01 mv 6 32 62 87 0 + 4 e 259 68 etot -8.3185E+01 mv 6 32 62 130 0 + -1 e 1 89 etot 1.3528E+20 mv 6 32 158 81 0 + 4 e 41 88 etot -8.5961E+01 mv 6 32 158 197 0 c 197 0.1 0.0 + 4 e 317 56 etot -8.5624E+01 mv 6 32 105 60 0 + 4 e 273 60 etot -8.0361E+01 mv 6 32 105 122 0 + 4 e 414 61 etot -6.0371E+01 mv 6 32 62 108 0 + 4 e 329 67 etot -8.4573E+01 mv 6 32 62 60 0 c 62 6.6 0.0 + 4 e 314 58 etot -8.4452E+01 mv 6 32 105 60 0 + 4 e 379 63 etot -7.3523E+01 mv 6 32 62 31 0 + 4 e 251 74 etot -6.8112E+01 mv 6 32 167 144 0 + 4 e 283 66 etot -7.3006E+01 mv 6 32 62 5 0 + 4 e 176 79 etot -6.9720E+01 mv 6 32 167 73 0 + 4 e 347 65 etot -7.5500E+01 mv 6 32 62 31 0 + 4 e 655 33 etot -8.2299E+01 mv 6 32 157 118 0 + 4 e 24 101 etot -8.2755E+01 mv 6 32 18 77 0 c 77 0.0 0.0 + 4 e 531 53 etot -8.5622E+01 mv 6 32 105 43 0 + 4 e 470 50 etot -8.6358E+01 mv 6 32 25 124 0 c 25 105.5 0.1 + 4 e 193 86 etot -7.6185E+01 mv 6 32 158 72 0 + 4 e 246 84 etot -8.4110E+01 mv 6 32 158 198 0 + 4 e 287 76 etot -7.2828E+01 mv 6 32 167 194 0 + 4 e 348 71 etot -8.7499E+01 mv 6 32 167 41 0 + 4 e 273 75 etot -8.2020E+01 mv 6 32 167 142 0 + 4 e 538 48 etot -8.5598E+01 mv 6 32 25 22 0 + 4 e 215 94 etot -7.7905E+01 mv 6 32 50 177 0 + 4 e 244 92 etot -7.8057E+01 mv 6 32 50 69 0 + 4 e 406 64 etot -8.7894E+01 mv 6 32 62 103 0 + 4 e 446 73 etot -7.0821E+01 mv 6 32 167 4 0 + 4 e 191 98 etot -8.4923E+01 mv 6 32 50 133 0 c 50 2.7 0.0 + -1 e 1 116 etot 1.3528E+20 mv 6 32 190 152 0 + 4 e 556 57 etot -8.0781E+01 mv 6 32 105 158 0 + 4 e 299 91 etot -7.8126E+01 mv 6 32 50 61 0 + 4 e 281 95 etot -8.3346E+01 mv 6 32 50 199 0 c 199 142.5 2.0 + 4 e 277 97 etot -7.6648E+01 mv 6 32 50 98 0 + 4 e 370 87 etot -7.7143E+01 mv 6 32 158 16 0 + 4 e 278 93 etot -8.3007E+01 mv 6 32 50 157 0 + 4 e 317 96 etot -8.1538E+01 mv 6 32 50 186 0 f 164 468.3 1.4 + 4 e 601 69 etot -7.7562E+01 mv 6 32 62 7 0 + 4 e 303 77 etot -8.4492E+01 mv 6 32 167 150 0 + 4 e 372 90 etot -7.9935E+01 mv 6 32 158 125 0 + 4 e 273 104 etot -8.4521E+01 mv 6 32 18 99 0 c 18 32.0 0.3 + 4 e 60 126 etot -8.4273E+01 mv 6 32 180 54 0 c 54 0.2 0.0 + 4 e 296 103 etot -8.4521E+01 mv 6 32 18 116 0 + 4 e 461 83 etot -8.1903E+01 mv 6 32 158 169 0 + 4 e 205 112 etot -8.3609E+01 mv 6 32 190 49 0 + 4 e 160 120 etot -6.4830E+01 mv 6 32 190 178 0 + 4 e 507 81 etot -6.8990E+01 mv 6 32 158 139 0 + 4 e 572 82 etot -7.8180E+01 mv 6 32 158 15 0 + 4 e 213 117 etot -8.3979E+01 mv 6 32 190 104 0 c 190 1.9 0.0 + 4 e 168 125 etot -8.5012E+01 mv 6 32 180 179 0 + 4 e 321 110 etot -8.3452E+01 mv 6 32 18 152 0 + 4 e 227 121 etot -8.4286E+01 mv 6 32 180 184 0 + 4 e 248 102 etot -7.7813E+01 mv 6 32 18 7 0 + -1 e 1 140 etot 1.3528E+20 mv 6 32 136 181 0 + 4 e 375 106 etot -8.4190E+01 mv 6 32 18 20 0 + 4 e 303 113 etot -8.2618E+01 mv 6 32 190 79 0 + 4 e 287 118 etot -8.3979E+01 mv 6 32 190 94 0 + 4 e 339 99 etot -8.1042E+01 mv 6 32 50 34 0 + 4 e 392 109 etot -8.4191E+01 mv 6 32 18 199 0 + 4 e 498 80 etot -8.1071E+01 mv 6 32 167 26 0 + 4 e 345 115 etot -7.9498E+01 mv 6 32 190 112 0 + 4 e 436 108 etot -8.0183E+01 mv 6 32 18 187 0 + 4 e 445 107 etot -8.0184E+01 mv 6 32 18 187 0 + 4 e 269 111 etot -7.7181E+01 mv 6 32 190 107 0 + 4 e 260 127 etot -8.9422E+01 mv 6 32 180 117 0 c 117 65.1 1.0 + 4 e 229 128 etot -8.3988E+01 mv 6 32 180 115 0 + 4 e 340 123 etot -8.3408E+01 mv 6 32 180 135 0 + 4 e 358 105 etot -8.4191E+01 mv 6 32 18 89 0 + 4 e 394 122 etot -7.2743E+01 mv 6 32 180 29 0 + 4 e 166 150 etot -8.5211E+01 mv 6 32 126 143 0 + 4 e 269 138 etot -8.4074E+01 mv 6 32 136 194 0 c 136 56.6 0.1 + 4 e 273 137 etot -6.8749E+01 mv 6 32 136 169 0 + 4 e 370 130 etot -8.5776E+01 mv 6 32 180 194 0 + 4 e 482 100 etot -8.5664E+01 mv 6 32 50 57 0 + 4 e 240 129 etot -7.6848E+01 mv 6 32 180 186 0 + 4 e 154 154 etot -7.4036E+01 mv 6 32 165 137 0 + 4 e 235 148 etot -7.7413E+01 mv 6 32 126 111 0 + 4 e 545 119 etot -7.7043E+01 mv 6 32 190 135 0 + 4 e 505 124 etot -8.6838E+01 mv 6 32 180 153 0 + 4 e 306 142 etot -8.4796E+01 mv 6 32 126 181 0 + 4 e 234 152 etot -8.3326E+01 mv 6 32 165 39 0 c 165 40.7 0.3 + 4 e 346 144 etot -7.9841E+01 mv 6 32 126 94 0 + 4 e 454 133 etot -7.7211E+01 mv 6 32 136 69 0 + 4 e 353 143 etot -8.4912E+01 mv 6 32 126 147 0 + 4 e 467 114 etot -7.4016E+01 mv 6 32 190 119 0 + 4 e 495 132 etot -7.9938E+01 mv 6 32 136 76 0 + 4 e 511 131 etot -8.3947E+01 mv 6 32 136 17 0 + 4 e 90 168 etot -8.0853E+01 mv 6 32 53 89 0 c 89 1.0 0.0 + -1 e 1 175 etot 1.3528E+20 mv 6 32 186 113 0 + -1 e 1 176 etot 1.3528E+20 mv 6 32 186 37 0 + 4 e 480 136 etot -8.3417E+01 mv 6 32 136 120 0 + 4 e 115 161 etot -8.2574E+01 mv 6 32 53 146 0 c 146 0.9 0.0 + 4 e 139 166 etot -8.8555E+01 mv 6 32 53 86 0 + 4 e 406 146 etot -8.4272E+01 mv 6 32 126 113 0 c 126 12.9 0.6 + 4 e 284 151 etot 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etot -7.9271E+01 mv 6 32 165 141 0 + 4 e 372 164 etot -7.7182E+01 mv 6 32 53 166 0 + 4 e 298 174 etot -8.3970E+01 mv 6 32 186 2 0 c 186 1.1 0.0 + 4 e 296 177 etot -7.4195E+01 mv 6 32 186 31 0 + -1 e 1 205 etot 1.3528E+20 mv 2 32 10 -27 0 + 4 e 221 184 etot -8.0034E+01 mv 6 32 185 162 0 + -1 e 1 207 etot 1.3528E+20 mv 2 32 1 -90 0 + -1 e 1 208 etot 1.3528E+20 mv 2 32 1 -45 0 + 4 e 182 190 etot -6.4258E+01 mv 6 32 185 136 0 + 4 e 295 180 etot -8.4983E+01 mv 6 32 186 180 0 + 4 e 371 173 etot -8.2611E+01 mv 6 32 186 145 0 + 4 e 410 171 etot -7.0092E+01 mv 6 32 186 73 0 + 4 e 256 185 etot -8.2588E+01 mv 6 32 185 155 0 c 185 4.5 0.0 + -1 e 1 213 etot 1.3528E+20 mv 2 32 162 -52 0 + 4 e 551 157 etot -7.6740E+01 mv 6 32 165 111 0 + 4 e 371 178 etot -7.3901E+01 mv 6 32 186 123 0 + 4 e 302 186 etot -6.8929E+01 mv 6 32 185 135 0 + 4 e 377 181 etot -7.7537E+01 mv 6 32 185 2 0 + 4 e 576 141 etot -7.8685E+01 mv 6 32 126 39 0 + 4 e 196 192 etot -8.3124E+01 mv 6 32 71 100 0 + -1 e 1 221 etot 1.3528E+20 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25 -175 0 + 4 e 200 267 etot -5.4794E+01 mv 2 32 136 -77 0 + 4 e 146 275 etot -7.1238E+01 mv 2 32 126 -125 0 + 4 e 403 251 etot -8.0044E+01 mv 2 32 18 -136 0 + -1 e 1 285 etot 1.3528E+20 mv 2 32 53 -197 0 + 4 e 644 228 etot -8.7221E+01 mv 2 32 105 -200 0 c 200 286.8 1.7 + 4 e 277 263 etot -6.0125E+01 mv 2 32 180 -165 0 + -1 e 1 288 etot 1.3528E+20 mv 2 32 186 -92 0 + 4 e 429 247 etot -7.1049E+01 mv 2 32 50 -44 0 + 4 e 661 229 etot -7.4916E+01 mv 2 32 105 -99 0 + 4 e 395 255 etot -8.1649E+01 mv 2 32 18 -98 0 + 4 e 223 273 etot -7.7436E+01 mv 2 32 126 -152 0 + 4 e 446 233 etot -7.5367E+01 mv 2 32 62 -170 0 + 4 e 449 254 etot -8.2001E+01 mv 2 32 18 -59 0 + 4 e 441 256 etot -8.1175E+01 mv 2 32 190 -162 0 + 4 e 417 258 etot -8.0169E+01 mv 2 32 190 -134 0 + 4 e 462 259 etot -7.6188E+01 mv 2 32 190 -168 0 + 4 e 346 274 etot -7.5032E+01 mv 2 32 126 -36 0 + 4 e 406 268 etot -5.9906E+01 mv 2 32 136 -99 0 + 4 e 184 290 etot -8.2337E+01 mv 2 32 186 -63 0 + -1 e 1 301 etot 1.3528E+20 mv 1 32 10 -86 0 + 4 e 599 227 etot -8.5042E+01 mv 2 32 105 -37 0 c 28 336.6 3.0 + -1 e 1 303 etot 1.3528E+20 mv 1 32 10 -82 0 + 4 e 474 245 etot -8.4301E+01 mv 2 32 158 -9 0 + 4 e 273 284 etot -6.5602E+01 mv 2 32 53 -180 0 + 4 e 230 280 etot -6.8728E+01 mv 2 32 165 -93 0 + 4 e 481 269 etot -8.3598E+01 mv 2 32 136 -174 0 + -1 e 1 308 etot 1.3528E+20 mv 1 32 1 -93 0 + 4 e 268 292 etot -6.9316E+01 mv 2 32 185 -115 0 + 4 e 227 295 etot -8.1182E+01 mv 2 32 185 -8 0 + 4 e 562 261 etot -8.2995E+01 mv 2 32 180 -161 0 + -1 e 1 311 etot 1.3528E+20 mv 1 32 162 -195 0 + 4 e 328 281 etot -8.4333E+01 mv 2 32 53 -98 0 + 4 e 292 291 etot -7.8568E+01 mv 2 32 185 -123 0 + 4 e 528 271 etot -7.1484E+01 mv 2 32 126 -135 0 + 4 e 491 276 etot -8.1523E+01 mv 2 32 165 -74 0 + 4 e 426 265 etot -6.1840E+01 mv 2 32 180 -84 0 + 4 e 675 262 etot -7.8093E+01 mv 2 32 180 -123 0 + 4 e 439 266 etot -8.1040E+01 mv 2 32 136 -62 0 + 4 e 386 293 etot -6.2255E+01 mv 2 32 185 -148 0 + 4 e 485 278 etot -7.6959E+01 mv 2 32 165 -82 0 + 4 e 444 287 etot -7.5232E+01 mv 2 32 186 -78 0 + 4 e 581 277 etot -5.5280E+01 mv 2 32 165 -135 0 + 4 e 474 283 etot -7.7392E+01 mv 2 32 53 -59 0 + 4 e 478 286 etot -8.0387E+01 mv 2 32 186 -16 0 f 21 406.6 0.1 + 4 e 201 312 etot -6.5050E+01 mv 1 32 162 -9 0 + 4 e 335 300 etot -8.2989E+01 mv 2 32 71 -102 0 + 4 e 555 264 etot -7.6726E+01 mv 2 32 180 -198 0 + 4 e 540 289 etot -7.6019E+01 mv 2 32 186 -50 0 + 4 e 297 309 etot -8.8114E+01 mv 1 32 1 -166 0 c 1 3.2 0.0 + 4 e 281 313 etot -8.5499E+01 mv 1 32 162 -63 0 + 4 e 430 282 etot -6.5594E+01 mv 2 32 53 -4 0 + 4 e 281 315 etot -8.5847E+01 mv 1 32 162 -143 0 + 4 e 490 297 etot -8.2987E+01 mv 2 32 71 -19 0 + 4 e 384 310 etot -8.5951E+01 mv 1 32 1 -118 0 + 4 e 264 322 etot -6.8724E+01 mv 1 32 25 -160 0 + 4 e 207 326 etot -8.5624E+01 mv 1 32 105 -165 0 + 4 e 304 304 etot -8.3262E+01 mv 1 32 10 -194 0 + 4 e 600 296 etot -8.1666E+01 mv 2 32 71 -158 0 + 4 e 413 306 etot -7.7234E+01 mv 1 32 1 -50 0 + -1 e 1 341 etot 1.3528E+20 mv 1 32 158 -190 0 + 4 e 442 294 etot -7.4881E+01 mv 2 32 185 -57 0 + 4 e 269 323 etot -7.9955E+01 mv 1 32 25 -198 0 + 4 e 377 316 etot -8.0034E+01 mv 1 32 157 -71 0 + 4 e 437 314 etot -7.8168E+01 mv 1 32 162 -194 0 + 4 e 336 321 etot -8.5226E+01 mv 1 32 25 -15 0 + 4 e 545 302 etot -7.9184E+01 mv 1 32 10 -200 0 + 4 e 316 325 etot -7.4789E+01 mv 1 32 25 -96 0 + 4 e 391 319 etot -8.6067E+01 mv 1 32 157 -83 0 + 4 e 626 299 etot -7.0712E+01 mv 2 32 71 -167 0 + 4 e 668 298 etot -8.2030E+01 mv 2 32 71 -35 0 f 72 382.0 1.8 + 4 e 216 336 etot -8.5225E+01 mv 1 32 167 -146 0 c 167 283.3 0.5 + 4 e 416 327 etot -7.3530E+01 mv 1 32 105 -101 0 + 4 e 343 330 etot -8.1655E+01 mv 1 32 105 -68 0 + 4 e 324 334 etot -7.9845E+01 mv 1 32 62 -74 0 + 4 e 186 345 etot -7.4274E+01 mv 1 32 158 -48 0 + -1 e 1 357 etot 1.3528E+20 mv 1 32 190 -129 0 + 4 e 349 331 etot -6.6530E+01 mv 1 32 62 -152 0 + 4 e 483 305 etot -7.8056E+01 mv 1 32 10 -173 0 + 4 e 497 324 etot -7.6646E+01 mv 1 32 25 -147 0 + 4 e 254 344 etot -8.2841E+01 mv 1 32 158 -181 0 + 4 e 309 340 etot -8.4566E+01 mv 1 32 167 -36 0 + 4 e 307 329 etot -8.4808E+01 mv 1 32 105 -168 0 + 4 e 505 307 etot -7.8164E+01 mv 1 32 1 -19 0 + 4 e 649 317 etot -8.6796E+01 mv 1 32 157 -110 0 + 4 e 219 350 etot -7.6786E+01 mv 1 32 50 -37 0 + 4 e 439 335 etot -7.9844E+01 mv 1 32 62 -65 0 + -1 e 1 368 etot 1.3528E+20 mv 1 32 136 -188 0 + 4 e 373 338 etot -7.7028E+01 mv 1 32 167 -200 0 + 4 e 323 348 etot -7.3319E+01 mv 1 32 50 -69 0 + 4 e 192 356 etot -7.2082E+01 mv 1 32 190 -12 0 + 4 e 166 361 etot -8.5012E+01 mv 1 32 180 -166 0 + 4 e 388 346 etot -8.4922E+01 mv 1 32 50 -86 0 + 4 e 537 318 etot -7.0056E+01 mv 1 32 157 -200 0 + 4 e 638 328 etot -8.2283E+01 mv 1 32 105 -27 0 c 72 187.1 0.3 + 4 e 337 351 etot -7.7775E+01 mv 1 32 18 -71 0 + 4 e 384 349 etot -8.4753E+01 mv 1 32 50 -100 0 + 4 e 263 355 etot -8.4192E+01 mv 1 32 18 -72 0 + -1 e 1 379 etot 1.3528E+20 mv 1 32 165 -173 0 + 4 e 352 352 etot -7.6138E+01 mv 1 32 18 -141 0 + 4 e 558 320 etot -7.4223E+01 mv 1 32 157 -9 0 + 4 e 357 343 etot -8.4272E+01 mv 1 32 158 -89 0 + 4 e 661 332 etot -7.5267E+01 mv 1 32 62 -157 0 + 4 e 351 359 etot -8.4069E+01 mv 1 32 190 -115 0 c 190 56.0 0.1 + 4 e 389 353 etot -8.0044E+01 mv 1 32 18 -186 0 + 4 e 293 363 etot -7.6635E+01 mv 1 32 180 -149 0 + 4 e 544 347 etot -7.7531E+01 mv 1 32 50 -154 0 + 4 e 212 364 etot -8.0288E+01 mv 1 32 180 -167 0 + 4 e 620 342 etot -7.5196E+01 mv 1 32 158 -172 0 + 4 e 224 374 etot -8.3831E+01 mv 1 32 126 -107 0 + 4 e 676 337 etot -7.7357E+01 mv 1 32 167 -158 0 + 4 e 364 369 etot -7.0189E+01 mv 1 32 136 -11 0 + 4 e 502 358 etot -7.6751E+01 mv 1 32 190 -69 0 + 4 e 582 333 etot -7.9696E+01 mv 1 32 62 -182 0 + 4 e 258 380 etot -6.5724E+01 mv 1 32 165 -22 0 + 4 e 531 354 etot -8.3770E+01 mv 1 32 18 -140 0 + -1 e 1 397 etot 7.1919E+20 mv 1 32 71 -129 0 + 4 e 351 360 etot -8.0673E+01 mv 1 32 190 -26 0 + 4 e 220 375 etot -8.3709E+01 mv 1 32 126 -32 0 + 4 e 197 385 etot -8.4264E+01 mv 1 32 53 -129 0 + 4 e 318 376 etot -6.8845E+01 mv 1 32 165 -150 0 + 4 e 514 362 etot -6.6369E+01 mv 1 32 180 -133 0 + 4 e 387 371 etot -8.4273E+01 mv 1 32 126 -14 0 + 4 e 468 370 etot -8.3948E+01 mv 1 32 136 -99 0 + 4 e 228 388 etot -8.2311E+01 mv 1 32 186 -51 0 + 4 e 77 403 etot -8.6807E+01 mv 0 32 162 0 0 + 4 e 541 366 etot -8.3946E+01 mv 1 32 136 -139 0 + 4 e 207 391 etot -8.2588E+01 mv 1 32 185 -187 0 c 185 0.5 0.0 + 4 e 111 401 etot -8.3263E+01 mv 0 32 10 0 0 c 10 0.7 0.0 + 4 e 388 365 etot -7.9538E+01 mv 1 32 180 -22 0 + 4 e 247 383 etot -8.3937E+01 mv 1 32 53 -118 0 + 4 e 436 378 etot -8.2747E+01 mv 1 32 165 -31 0 + 4 e 117 402 etot -8.8115E+01 mv 0 32 1 0 0 c 1 1.8 0.0 + 4 e 491 372 etot -8.4273E+01 mv 1 32 126 -23 0 + 4 e 378 384 etot -8.4333E+01 mv 1 32 53 -4 0 + 4 e 197 389 etot -8.3723E+01 mv 1 32 186 -13 0 + 4 e 104 405 etot -8.6309E+01 mv 0 32 25 0 0 + 4 e 427 381 etot -8.4332E+01 mv 1 32 53 -175 0 + 4 e 504 373 etot -7.5854E+01 mv 1 32 126 -137 0 +## N0 total= 19 close= 5 far= 0 %acc 26.3 +## N1 total= 101 close= 7 far= 0 %acc 6.9 +## N2 total= 100 close= 5 far= 3 %acc 8.0 +## N3 total= 0 close= 0 far= 0 %acc 0.0 +## N4 total= 0 close= 0 far= 0 %acc 0.0 +## N5 total= 0 close= 0 far= 0 %acc 0.0 +## N6 total= 200 close= 30 far= 2 %acc 16.0 +## N7 total= 0 close= 0 far= 0 %acc 0.0 +## N8 total= 0 close= 0 far= 0 %acc 0.0 +## N9 total= 0 close= 0 far= 0 %acc 0.0 +##N10 total= 0 close= 0 far= 0 %acc 0.0 +##N11 total= 0 close= 0 far= 0 %acc 0.0 +##N12 total= 0 close= 0 far= 0 %acc 0.0 +##N13 total= 0 close= 0 far= 0 %acc 0.0 +##N14 total= 0 close= 0 far= 0 %acc 0.0 +##N15 total= 0 close= 0 far= 0 %acc 0.0 +##N16 total= 0 close= 0 far= 0 %acc 0.0 +##N17 total= 0 close= 0 far= 0 %acc 0.0 +##N18 total= 0 close= 0 far= 0 %acc 0.0 + Time for refresh 33 0.27 + make_var : nseed= 20 ntry= 420 + Time for make trial 34 0.07 +Nonsetup time 69.41 sec, Eval/s = 63650.73 +Time for iter 34 1.88 sec, Eval/s = 69867.29 + UPDATING 420 + 4 e 177 404 etot -8.6798E+01 mv 0 32 157 0 0 c 157 0.9 0.0 + 4 e 91 413 etot -8.5012E+01 mv 0 32 180 0 0 + 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299 etot -6.4623E+01 mv 2 33 142 -147 0 + -1 e 1 345 etot 1.3528E+20 mv 1 33 109 -150 0 + -1 e 1 346 etot 1.3528E+20 mv 1 33 35 -137 0 + 4 e 212 328 etot -6.2203E+01 mv 1 33 57 -89 0 + -1 e 1 347 etot 1.3528E+20 mv 1 33 35 -197 0 + -1 e 1 348 etot 1.3528E+20 mv 1 33 35 -113 0 + 4 e 252 326 etot -6.7648E+01 mv 1 33 57 -182 0 + 4 e 334 321 etot -8.7222E+01 mv 1 33 200 -152 0 + 4 e 249 320 etot -8.5080E+01 mv 1 33 167 -154 0 + 4 e 277 331 etot -8.4126E+01 mv 1 33 18 -72 0 + 4 e 298 329 etot -8.0532E+01 mv 1 33 57 -5 0 + 4 e 373 322 etot -7.8432E+01 mv 1 33 200 -178 0 + 4 e 235 340 etot -8.4297E+01 mv 1 33 126 -55 0 c 126 1.9 0.0 + 4 e 273 324 etot -8.0860E+01 mv 1 33 200 -9 0 + 4 e 253 330 etot -8.5210E+01 mv 1 33 57 -53 0 + 4 e 715 305 etot -8.3288E+01 mv 1 33 164 -4 0 c 164 276.1 1.5 + 4 e 587 314 etot -8.1328E+01 mv 1 33 195 -87 0 + 4 e 338 319 etot -8.4433E+01 mv 1 33 167 -104 0 + 4 e 268 343 etot -7.0706E+01 mv 1 33 109 -8 0 + 4 e 388 334 etot -8.4120E+01 mv 1 33 18 -130 0 + -1 e 1 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etot -7.4402E+01 mv 1 33 88 -46 0 + 4 e 618 333 etot -8.4519E+01 mv 1 33 18 -62 0 + 4 e 287 381 etot -8.3002E+01 mv 1 33 190 -121 0 + 4 e 382 358 etot -8.2744E+01 mv 1 33 25 -109 0 + 4 e 437 371 etot -8.4090E+01 mv 1 33 154 -87 0 + 4 e 215 391 etot -8.3208E+01 mv 1 33 15 -150 0 + 4 e 105 401 etot -8.1539E+01 mv 0 33 164 0 0 + 4 e 265 388 etot -6.6063E+01 mv 1 33 165 -131 0 + 4 e 68 404 etot -8.5226E+01 mv 0 33 167 0 0 + 4 e 130 402 etot -8.7603E+01 mv 0 33 183 0 0 c 183 1.3 0.0 + 4 e 476 372 etot -7.4262E+01 mv 1 33 154 -61 0 + 4 e 340 386 etot -8.3064E+01 mv 1 33 165 -132 0 + 4 e 354 385 etot -8.4069E+01 mv 1 33 190 -36 0 + 4 e 419 377 etot -7.3329E+01 mv 1 33 136 -145 0 + 4 e 99 406 etot -8.5210E+01 mv 0 33 57 0 0 c 57 1.4 0.0 + 4 e 290 375 etot -7.0879E+01 mv 1 33 154 -9 0 + 4 e 147 403 etot -8.6135E+01 mv 0 33 195 0 0 c 195 1.9 0.0 +## N0 total= 21 close= 11 far= 0 %acc 52.4 +## N1 total= 99 close= 10 far= 1 %acc 11.1 +## N2 total= 100 close= 6 far= 3 %acc 9.0 +## N3 total= 0 close= 0 far= 0 %acc 0.0 +## N4 total= 0 close= 0 far= 0 %acc 0.0 +## N5 total= 0 close= 0 far= 0 %acc 0.0 +## N6 total= 200 close= 18 far= 4 %acc 11.0 +## N7 total= 0 close= 0 far= 0 %acc 0.0 +## N8 total= 0 close= 0 far= 0 %acc 0.0 +## N9 total= 0 close= 0 far= 0 %acc 0.0 +##N10 total= 0 close= 0 far= 0 %acc 0.0 +##N11 total= 0 close= 0 far= 0 %acc 0.0 +##N12 total= 0 close= 0 far= 0 %acc 0.0 +##N13 total= 0 close= 0 far= 0 %acc 0.0 +##N14 total= 0 close= 0 far= 0 %acc 0.0 +##N15 total= 0 close= 0 far= 0 %acc 0.0 +##N16 total= 0 close= 0 far= 0 %acc 0.0 +##N17 total= 0 close= 0 far= 0 %acc 0.0 +##N18 total= 0 close= 0 far= 0 %acc 0.0 + Time for refresh 34 0.27 + make_var : nseed= 20 ntry= 420 + Time for make trial 35 0.10 +Nonsetup time 71.32 sec, Eval/s = 63784.36 +Time for iter 35 1.90 sec, Eval/s = 68660.04 + UPDATING 420 + 4 e 437 379 etot -8.4430E+01 mv 1 33 136 -181 0 c 136 45.9 0.4 + 4 e 102 409 etot -8.4144E+01 mv 0 33 109 0 0 + 4 e 597 383 etot -7.7505E+01 mv 1 33 190 -147 0 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etot 1.3528E+20 mv 6 34 100 77 0 + 4 e 377 134 etot -8.2613E+01 mv 6 34 91 130 0 + -1 e 1 184 etot 1.3528E+20 mv 6 34 100 195 0 + 4 e 438 144 etot -8.1743E+01 mv 6 34 138 150 0 f 122 379.8 1.2 + 4 e 403 157 etot -5.9338E+01 mv 6 34 108 200 0 + 4 e 469 150 etot -7.7131E+01 mv 6 34 138 73 0 + 4 e 343 149 etot -8.4112E+01 mv 6 34 138 94 0 + -1 e 1 190 etot 1.3528E+20 mv 6 34 100 31 0 + -1 e 1 191 etot 1.3528E+20 mv 6 34 150 16 0 + 4 e 318 168 etot -7.9200E+01 mv 6 34 61 93 0 + 4 e 291 163 etot -7.6113E+01 mv 6 34 61 6 0 + 4 e 502 154 etot -7.8906E+01 mv 6 34 108 167 0 + 4 e 498 158 etot -8.2416E+01 mv 6 34 108 188 0 c 108 4.9 0.0 + 4 e 483 160 etot -6.8596E+01 mv 6 34 108 160 0 + 4 e 264 167 etot -7.1623E+01 mv 6 34 61 193 0 + 4 e 219 182 etot -8.1563E+01 mv 6 34 100 198 0 + 4 e 239 171 etot -7.8185E+01 mv 6 34 146 124 0 + 4 e 373 169 etot -7.5362E+01 mv 6 34 61 129 0 + 4 e 588 155 etot -7.4171E+01 mv 6 34 108 49 0 + 4 e 288 178 etot -7.2356E+01 mv 6 34 146 93 0 + 4 e 618 153 etot 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202 310 etot -8.7407E+01 mv 1 34 92 -155 0 c 92 1.7 0.0 + 8 e 122 317 etot -6.3998E+01 mv 1 34 106 -114 0 + 4 e 844 271 etot -8.2701E+01 mv 2 34 138 -68 0 c 110 318.0 0.7 + 4 e 474 299 etot -6.9464E+01 mv 2 34 150 -131 0 + 4 e 469 297 etot -7.4962E+01 mv 2 34 150 -56 0 + 4 e 321 300 etot -8.1932E+01 mv 2 34 150 -180 0 + 4 e 306 302 etot -7.2819E+01 mv 1 34 153 -92 0 + 4 e 308 303 etot -8.1135E+01 mv 1 34 153 -100 0 + 4 e 608 290 etot -7.8568E+01 mv 2 34 146 -67 0 + 4 e 225 316 etot -8.3888E+01 mv 1 34 106 -154 0 c 106 1.9 0.0 + 4 e 558 296 etot -8.1158E+01 mv 2 34 150 -56 0 + 4 e 593 261 etot -7.1222E+01 mv 2 34 164 -150 0 + 4 e 578 260 etot -8.3222E+01 mv 2 34 199 -197 0 + 4 e 367 311 etot -8.6593E+01 mv 1 34 51 -1 0 + 4 e 217 321 etot -8.6406E+01 mv 1 34 41 -105 0 + 4 e 208 324 etot -8.6406E+01 mv 1 34 41 -71 0 + -1 e 1 340 etot 1.3528E+20 mv 1 34 15 -75 0 + 4 e 676 252 etot -8.0094E+01 mv 2 34 65 -75 0 + -1 e 1 342 etot 1.3528E+20 mv 1 34 83 -192 0 + 4 e 254 315 etot -8.6595E+01 mv 1 34 51 -30 0 + 4 e 188 327 etot -7.0775E+01 mv 1 34 53 -167 0 + 4 e 524 306 etot -8.7405E+01 mv 1 34 92 -75 0 + 4 e 497 307 etot -7.5276E+01 mv 1 34 92 -122 0 + 4 e 684 298 etot -7.8049E+01 mv 2 34 150 -116 0 + 4 e 565 289 etot -7.9929E+01 mv 2 34 146 -2 0 + 4 e 463 312 etot -7.3673E+01 mv 1 34 51 -85 0 + 4 e 270 325 etot -8.6406E+01 mv 1 34 41 -115 0 + 4 e 567 309 etot -7.0030E+01 mv 1 34 92 -166 0 + 4 e 297 328 etot -8.4387E+01 mv 1 34 53 -128 0 + -1 e 1 353 etot 1.3528E+20 mv 1 34 65 -179 0 + 4 e 517 313 etot -7.2541E+01 mv 1 34 51 -29 0 + -1 e 1 354 etot 1.3528E+20 mv 1 34 65 -119 0 + 4 e 142 337 etot -7.2151E+01 mv 1 34 15 -20 0 + -1 e 1 355 etot 1.3528E+20 mv 1 34 65 -39 0 + 4 e 217 331 etot -8.6265E+01 mv 1 34 193 -171 0 c 193 1.3 0.0 + 4 e 292 335 etot -8.4792E+01 mv 1 34 193 -178 0 + 4 e 161 336 etot -8.3514E+01 mv 1 34 15 -10 0 c 15 0.8 0.0 + 4 e 381 326 etot -8.2519E+01 mv 1 34 53 -104 0 + -1 e 1 362 etot 1.3528E+20 mv 1 34 164 -35 0 + 4 e 398 314 etot -7.1840E+01 mv 1 34 51 -92 0 + 4 e 330 320 etot -8.3887E+01 mv 1 34 106 -23 0 + 4 e 270 341 etot -8.0334E+01 mv 1 34 83 -164 0 + 4 e 246 346 etot -8.4586E+01 mv 1 34 71 -19 0 + 4 e 242 351 etot -8.4369E+01 mv 1 34 65 -182 0 c 65 3.7 0.0 + 4 e 338 330 etot -8.1443E+01 mv 1 34 53 -69 0 f 19 362.9 0.9 + 4 e 573 323 etot -8.1378E+01 mv 1 34 41 -120 0 + 4 e 198 356 etot -8.3346E+01 mv 1 34 199 -2 0 c 199 1.8 0.0 + 4 e 479 334 etot -7.9730E+01 mv 1 34 193 -77 0 + 4 e 386 338 etot -7.1957E+01 mv 1 34 15 -151 0 + 4 e 530 333 etot -7.2224E+01 mv 1 34 193 -183 0 + 4 e 711 319 etot -7.6542E+01 mv 1 34 106 -194 0 + 4 e 677 322 etot -8.7379E+01 mv 1 34 41 -97 0 c 41 75.4 0.4 + 4 e 298 357 etot -7.2857E+01 mv 1 34 199 -128 0 + 4 e 479 339 etot -7.6456E+01 mv 1 34 15 -90 0 + 4 e 468 343 etot -7.1830E+01 mv 1 34 83 -161 0 + 4 e 639 329 etot -8.0889E+01 mv 1 34 53 -62 0 + 4 e 430 332 etot -7.1314E+01 mv 1 34 193 -185 0 + 4 e 235 366 etot -8.2534E+01 mv 1 34 91 -151 0 + -1 e 1 382 etot 1.3528E+20 mv 1 34 61 -27 0 + 4 e 355 344 etot -7.3968E+01 mv 1 34 83 -3 0 + 4 e 196 372 etot -5.9833E+01 mv 1 34 138 -89 0 + 4 e 478 350 etot -7.6573E+01 mv 1 34 71 -114 0 + 4 e 252 367 etot -6.8097E+01 mv 1 34 91 -56 0 + 4 e 399 360 etot -8.0540E+01 mv 1 34 199 -150 0 + 4 e 247 371 etot -7.9918E+01 mv 1 34 138 -97 0 + 4 e 583 345 etot -8.3500E+01 mv 1 34 83 -125 0 + 4 e 135 378 etot -6.3764E+01 mv 1 34 108 -114 0 + 4 e 399 361 etot -8.0717E+01 mv 1 34 164 -53 0 + 4 e 637 318 etot -8.0439E+01 mv 1 34 106 -9 0 + 4 e 572 348 etot -8.2869E+01 mv 1 34 71 -91 0 + -1 e 1 394 etot 1.3528E+20 mv 1 34 100 -83 0 + 4 e 208 375 etot -8.2452E+01 mv 1 34 138 -121 0 + 4 e 525 352 etot -6.8209E+01 mv 1 34 65 -5 0 + 4 e 483 363 etot -7.2028E+01 mv 1 34 164 -195 0 + 4 e 516 358 etot -8.0771E+01 mv 1 34 199 -154 0 f 148 368.2 0.2 + 4 e 317 364 etot -8.1732E+01 mv 1 34 164 -161 0 + 4 e 326 373 etot -7.8978E+01 mv 1 34 138 -58 0 + 4 e 316 365 etot -7.5563E+01 mv 1 34 164 -171 0 + 4 e 357 359 etot -7.6564E+01 mv 1 34 199 -144 0 + 4 e 649 347 etot -7.2446E+01 mv 1 34 71 -161 0 + 4 e 132 388 etot -6.7212E+01 mv 1 34 146 -86 0 + 4 e 404 368 etot -8.0479E+01 mv 1 34 91 -141 0 + 4 e 251 383 etot -6.6600E+01 mv 1 34 61 -122 0 + 4 e 104 401 etot -8.0901E+01 mv 0 34 153 0 0 + 4 e 389 374 etot -8.2685E+01 mv 1 34 138 -71 0 + 4 e 246 385 etot -7.3693E+01 mv 1 34 61 -151 0 + 4 e 100 405 etot -8.6407E+01 mv 0 34 41 0 0 + 4 e 78 406 etot -8.4463E+01 mv 0 34 53 0 0 c 53 1.2 0.0 + 4 e 108 404 etot -8.3888E+01 mv 0 34 106 0 0 c 106 1.2 0.0 + 4 e 84 403 etot -8.6595E+01 mv 0 34 51 0 0 c 51 1.2 0.0 + 4 e 287 387 etot -7.2697E+01 mv 1 34 146 -6 0 + 4 e 358 369 etot -7.4667E+01 mv 1 34 91 -21 0 + 4 e 70 408 etot -8.3514E+01 mv 0 34 15 0 0 c 15 0.8 0.0 + 4 e 515 370 etot -8.1257E+01 mv 1 34 91 -121 0 f 114 413.9 0.7 + 4 e 259 381 etot -8.2414E+01 mv 1 34 61 -60 0 + 4 e 71 409 etot -8.3502E+01 mv 0 34 83 0 0 c 83 0.3 0.0 +## N0 total= 22 close= 14 far= 0 %acc 63.6 +## N1 total= 98 close= 10 far= 3 %acc 13.3 +## N2 total= 100 close= 6 far= 0 %acc 6.0 +## N3 total= 0 close= 0 far= 0 %acc 0.0 +## N4 total= 0 close= 0 far= 0 %acc 0.0 +## N5 total= 0 close= 0 far= 0 %acc 0.0 +## N6 total= 200 close= 29 far= 4 %acc 16.5 +## N7 total= 0 close= 0 far= 0 %acc 0.0 +## N8 total= 0 close= 0 far= 0 %acc 0.0 +## N9 total= 0 close= 0 far= 0 %acc 0.0 +##N10 total= 0 close= 0 far= 0 %acc 0.0 +##N11 total= 0 close= 0 far= 0 %acc 0.0 +##N12 total= 0 close= 0 far= 0 %acc 0.0 +##N13 total= 0 close= 0 far= 0 %acc 0.0 +##N14 total= 0 close= 0 far= 0 %acc 0.0 +##N15 total= 0 close= 0 far= 0 %acc 0.0 +##N16 total= 0 close= 0 far= 0 %acc 0.0 +##N17 total= 0 close= 0 far= 0 %acc 0.0 +##N18 total= 0 close= 0 far= 0 %acc 0.0 + Time for refresh 35 0.30 + make_var : nseed= 20 ntry= 420 + Time for make trial 36 0.07 +Nonsetup time 73.18 sec, Eval/s = 63930.74 +Time for iter 36 1.86 sec, Eval/s = 69545.41 + UPDATING 420 + 4 e 300 399 etot -8.0542E+01 mv 1 34 150 -54 0 + 4 e 234 396 etot -8.1933E+01 mv 1 34 150 -47 0 c 150 3.4 0.0 + 4 e 77 412 etot -8.3346E+01 mv 0 34 199 0 0 c 199 1.0 0.0 + 4 e 529 380 etot -8.1205E+01 mv 1 34 108 -77 0 + 4 e 58 417 etot -8.2414E+01 mv 0 34 61 0 0 + 4 e 449 376 etot -8.2584E+01 mv 1 34 108 -55 0 c 108 78.5 0.2 + 4 e 175 407 etot -8.6265E+01 mv 0 34 193 0 0 c 193 1.9 0.0 + 4 e 136 410 etot -8.4586E+01 mv 0 34 71 0 0 + 4 e 305 395 etot -8.1436E+01 mv 1 34 100 -165 0 + 4 e 100 413 etot -8.3288E+01 mv 0 34 164 0 0 c 164 1.1 0.0 + 4 e 577 389 etot -7.4601E+01 mv 1 34 146 -21 0 + -1 e 1 3 etot 1.3528E+20 mv 6 35 58 87 0 + 4 e 544 397 etot -6.3287E+01 mv 1 34 150 -199 0 + 4 e 558 386 etot -7.9709E+01 mv 1 34 146 -42 0 + 4 e 58 418 etot -8.2574E+01 mv 0 34 146 0 0 c 146 0.2 0.0 + 4 e 119 420 etot -8.1933E+01 mv 0 34 150 0 0 c 150 0.6 0.0 + 4 e 364 391 etot -6.5381E+01 mv 1 34 100 -133 0 + -1 e 1 8 etot 1.3528E+20 mv 6 35 58 79 0 + 4 e 119 415 etot -8.2452E+01 mv 0 34 138 0 0 + 4 e 328 398 etot -7.9473E+01 mv 1 34 150 -18 0 + 4 e 380 390 etot -8.0404E+01 mv 1 34 146 -57 0 + 4 e 135 411 etot -8.4370E+01 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390 336 etot -8.3646E+01 mv 1 35 196 -120 0 + 4 e 511 321 etot -8.4823E+01 mv 1 35 71 -200 0 + 4 e 288 338 etot -8.4416E+01 mv 1 35 196 -43 0 + 4 e 199 341 etot -8.0350E+01 mv 1 35 110 -117 0 + 4 e 281 340 etot -7.8940E+01 mv 1 35 196 -170 0 + 4 e 281 344 etot -8.2492E+01 mv 1 35 110 -5 0 + 4 e 688 312 etot -7.9624E+01 mv 1 35 198 -112 0 + 4 e 513 333 etot -6.9598E+01 mv 1 35 138 -123 0 + 4 e 538 329 etot -6.2712E+01 mv 1 35 136 -188 0 + 4 e 309 346 etot -7.6102E+01 mv 1 35 100 -123 0 + 4 e 376 343 etot -6.8148E+01 mv 1 35 110 -14 0 + 4 e 244 352 etot -6.6461E+01 mv 1 35 129 -18 0 + 4 e 128 363 etot -6.9784E+01 mv 1 35 189 -68 0 + 4 e 220 355 etot -8.2323E+01 mv 1 35 129 -32 0 + 4 e 564 309 etot -7.5357E+01 mv 1 35 117 -91 0 + 4 e 565 308 etot -8.2177E+01 mv 1 35 117 -14 0 + 4 e 391 347 etot -8.2309E+01 mv 1 35 100 -136 0 + 4 e 357 350 etot -8.2363E+01 mv 1 35 100 -85 0 + 4 e 393 349 etot -6.7086E+01 mv 1 35 100 -196 0 + 4 e 266 360 etot -8.2213E+01 mv 1 35 144 -43 0 + 4 e 345 353 etot -8.2323E+01 mv 1 35 129 -163 0 + 4 e 150 372 etot -6.5852E+01 mv 1 35 61 -161 0 + -1 e 1 382 etot 1.3528E+20 mv 1 35 88 -35 0 + 4 e 413 348 etot -7.2960E+01 mv 1 35 100 -143 0 + 4 e 419 351 etot -6.4657E+01 mv 1 35 129 -194 0 + 4 e 304 359 etot -8.2216E+01 mv 1 35 144 -82 0 + 4 e 500 332 etot -8.0098E+01 mv 1 35 138 -83 0 + 4 e 551 322 etot -8.2413E+01 mv 1 35 71 -135 0 + 4 e 462 337 etot -8.1585E+01 mv 1 35 196 -105 0 + 4 e 210 371 etot -8.3170E+01 mv 1 35 61 -123 0 + 4 e 311 362 etot -6.5834E+01 mv 1 35 189 -106 0 + -1 e 1 392 etot 1.3528E+20 mv 1 35 90 -97 0 + 4 e 368 357 etot -7.0010E+01 mv 1 35 144 -199 0 + 4 e 263 370 etot -6.1280E+01 mv 1 35 28 -149 0 + 4 e 373 367 etot -8.5187E+01 mv 1 35 28 -62 0 c 28 35.5 0.1 + 4 e 596 331 etot -8.4356E+01 mv 1 35 138 -159 0 c 138 3.5 0.0 + 4 e 481 356 etot -8.2212E+01 mv 1 35 144 -27 0 + 4 e 366 354 etot -8.1366E+01 mv 1 35 129 -139 0 f 125 398.6 0.6 + 4 e 307 375 etot -8.4715E+01 mv 1 35 61 -110 0 + 4 e 211 386 etot -7.2253E+01 mv 1 35 50 -155 0 + 4 e 185 394 etot -8.3125E+01 mv 1 35 90 -33 0 c 90 0.8 0.0 + 4 e 520 361 etot -8.2486E+01 mv 1 35 189 -106 0 c 189 43.6 0.3 + 4 e 272 383 etot -7.3804E+01 mv 1 35 88 -30 0 + 4 e 510 364 etot -8.2161E+01 mv 1 35 189 -157 0 + 4 e 276 380 etot -7.5022E+01 mv 1 35 180 -147 0 + 4 e 467 368 etot -7.5126E+01 mv 1 35 28 -37 0 + 4 e 193 395 etot -8.0668E+01 mv 1 35 90 -179 0 + 4 e 530 366 etot -8.3743E+01 mv 1 35 28 -24 0 f 159 411.1 3.0 + 4 e 432 374 etot -6.4989E+01 mv 1 35 61 -162 0 + 4 e 437 373 etot -6.2812E+01 mv 1 35 61 -181 0 + 4 e 214 388 etot -7.4644E+01 mv 1 35 50 -30 0 + 4 e 96 402 etot -8.9422E+01 mv 0 35 117 0 0 c 117 0.9 0.0 + 4 e 309 376 etot -8.6396E+01 mv 1 35 180 -5 0 + 4 e 104 404 etot -8.5293E+01 mv 0 35 137 0 0 + 4 e 315 393 etot -7.1005E+01 mv 1 35 90 -84 0 + 4 e 388 384 etot -8.7180E+01 mv 1 35 88 -52 0 + 4 e 121 403 etot -8.5536E+01 mv 0 35 198 0 0 c 198 1.9 0.0 + 4 e 386 381 etot -8.2539E+01 mv 1 35 88 -163 0 + 4 e 102 407 etot -8.4113E+01 mv 0 35 138 0 0 +## N0 total= 17 close= 10 far= 0 %acc 58.8 +## N1 total= 103 close= 8 far= 2 %acc 9.7 +## N2 total= 100 close= 3 far= 1 %acc 4.0 +## N3 total= 0 close= 0 far= 0 %acc 0.0 +## N4 total= 0 close= 0 far= 0 %acc 0.0 +## N5 total= 0 close= 0 far= 0 %acc 0.0 +## N6 total= 200 close= 35 far= 5 %acc 20.0 +## N7 total= 0 close= 0 far= 0 %acc 0.0 +## N8 total= 0 close= 0 far= 0 %acc 0.0 +## N9 total= 0 close= 0 far= 0 %acc 0.0 +##N10 total= 0 close= 0 far= 0 %acc 0.0 +##N11 total= 0 close= 0 far= 0 %acc 0.0 +##N12 total= 0 close= 0 far= 0 %acc 0.0 +##N13 total= 0 close= 0 far= 0 %acc 0.0 +##N14 total= 0 close= 0 far= 0 %acc 0.0 +##N15 total= 0 close= 0 far= 0 %acc 0.0 +##N16 total= 0 close= 0 far= 0 %acc 0.0 +##N17 total= 0 close= 0 far= 0 %acc 0.0 +##N18 total= 0 close= 0 far= 0 %acc 0.0 + Time for refresh 36 0.26 + make_var : nseed= 20 ntry= 420 + Time for make trial 37 0.10 +Nonsetup time 74.95 sec, Eval/s = 64052.80 +Time for iter 37 1.77 sec, Eval/s = 69088.99 + UPDATING 420 + 4 e 472 391 etot -7.6493E+01 mv 1 35 90 -196 0 + 4 e 758 385 etot -6.3443E+01 mv 1 35 88 -189 0 + 4 e 174 406 etot -8.4432E+01 mv 0 35 136 0 0 c 136 1.2 0.0 + 4 e 142 419 etot -8.3124E+01 mv 0 35 90 0 0 + 4 e 121 416 etot -8.7131E+01 mv 0 35 180 0 0 c 180 1.1 0.0 + 4 e 111 410 etot -8.2364E+01 mv 0 35 100 0 0 c 100 0.8 0.0 + 4 e 122 418 etot -8.5111E+01 mv 0 35 50 0 0 + 4 e 581 379 etot -8.7147E+01 mv 1 35 180 -96 0 c 180 87.0 0.0 + 4 e 474 378 etot -7.8644E+01 mv 1 35 180 -67 0 + 4 e 133 415 etot -8.3170E+01 mv 0 35 61 0 0 + 4 e 206 400 etot -8.2284E+01 mv 1 35 72 -22 0 + 4 e 142 417 etot -8.7306E+01 mv 0 35 88 0 0 c 88 1.7 0.0 + 4 e 478 398 etot -7.5304E+01 mv 1 35 72 -16 0 + 4 e 120 408 etot -8.4088E+01 mv 0 35 196 0 0 + -1 e 1 8 etot 1.3528E+20 mv 6 36 120 101 0 + 4 e 453 401 etot -8.1648E+01 mv 0 35 58 0 0 + 4 e 107 409 etot -8.2705E+01 mv 0 35 110 0 0 + 4 e 94 411 etot -8.2323E+01 mv 0 35 129 0 0 c 125 136.6 1.0 + 4 e 652 369 etot -6.5008E+01 mv 1 35 28 -154 0 + -1 e 1 10 etot 1.3528E+20 mv 6 36 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-1 e 1 40 etot 1.3528E+20 mv 6 36 107 132 0 + 4 e 215 35 etot -8.4350E+01 mv 6 36 107 145 0 + 4 e 216 22 etot -8.6326E+01 mv 6 36 35 197 0 c 197 22.4 0.4 + 4 e 221 32 etot -8.6014E+01 mv 6 36 107 61 0 c 61 53.4 0.0 + 4 e 219 31 etot -8.6121E+01 mv 6 36 107 52 0 + 4 e 224 15 etot -8.7383E+01 mv 6 36 174 35 0 + 4 e 242 20 etot -7.2215E+01 mv 6 36 174 155 0 + 4 e 282 4 etot -7.4665E+01 mv 6 36 120 15 0 + 4 e 69 37 etot -8.1444E+01 mv 6 36 107 19 0 c 19 0.7 0.0 + 4 e 290 5 etot -8.0764E+01 mv 6 36 120 28 0 + 4 e 254 33 etot -7.2225E+01 mv 6 36 107 136 0 + 4 e 358 7 etot -8.0182E+01 mv 6 36 120 62 0 + 4 e 298 13 etot -7.7578E+01 mv 6 36 174 15 0 + 4 e 305 12 etot -8.1318E+01 mv 6 36 174 102 0 + 4 e 338 29 etot -8.3422E+01 mv 6 36 35 141 0 + -1 e 1 55 etot 2.9147E+22 mv 6 36 137 24 0 + 4 e 349 2 etot -8.1263E+01 mv 6 36 120 69 0 + 4 e 363 9 etot -7.8973E+01 mv 6 36 120 165 0 + 4 e 357 30 etot -8.3259E+01 mv 6 36 35 83 0 + -1 e 1 59 etot 1.3528E+20 mv 6 36 137 176 0 + 4 e 418 1 etot 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588 11 etot -8.1350E+01 mv 6 36 174 187 0 + -1 e 1 82 etot 1.3528E+20 mv 6 36 138 24 0 + 4 e 583 28 etot -8.6170E+01 mv 6 36 35 143 0 + 4 e 505 49 etot -6.8276E+01 mv 6 36 167 196 0 + 4 e 371 46 etot -8.8987E+01 mv 6 36 167 95 0 + 4 e 448 45 etot -8.2706E+01 mv 6 36 167 157 0 + 4 e 604 21 etot -8.2539E+01 mv 6 36 35 13 0 c 103 140.2 0.8 + -1 e 1 88 etot 1.3528E+20 mv 6 36 138 4 0 + 4 e 334 58 etot -7.6987E+01 mv 6 36 137 61 0 + 4 e 350 61 etot -7.9788E+01 mv 6 36 28 84 0 + 4 e 543 39 etot -8.3684E+01 mv 6 36 107 193 0 + 4 e 250 73 etot -6.7907E+01 mv 6 36 41 31 0 + -1 e 1 93 etot 1.3528E+20 mv 6 36 110 171 0 + 4 e 384 60 etot -8.2893E+01 mv 6 36 137 36 0 + 4 e 680 17 etot -8.3253E+01 mv 6 36 174 65 0 f 120 457.4 2.5 + 4 e 334 65 etot -8.6434E+01 mv 6 36 28 3 0 + 4 e 457 57 etot -8.4691E+01 mv 6 36 137 6 0 c 78 97.5 1.4 + -1 e 1 98 etot 1.3528E+20 mv 6 36 110 28 0 + -1 e 1 99 etot 1.3528E+20 mv 6 36 110 21 0 + 4 e 52 92 etot -8.4463E+01 mv 6 36 110 53 0 c 53 0.2 0.0 + 4 e 146 85 etot -6.5878E+01 mv 6 36 138 62 0 + 4 e 251 76 etot -8.7381E+01 mv 6 36 41 157 0 c 41 1.9 0.0 + -1 e 1 103 etot 1.3528E+20 mv 6 36 196 110 0 + 4 e 449 51 etot -8.5519E+01 mv 6 36 137 127 0 c 137 8.2 0.0 + 4 e 210 83 etot -7.4581E+01 mv 6 36 138 81 0 + -1 e 1 106 etot 1.3528E+20 mv 6 36 196 170 0 + 4 e 376 70 etot -7.7847E+01 mv 6 36 28 59 0 + 4 e 355 74 etot -7.8844E+01 mv 6 36 41 189 0 + 4 e 196 78 etot -8.7381E+01 mv 6 36 41 163 0 + 4 e 417 56 etot -7.7301E+01 mv 6 36 137 88 0 + -1 e 1 111 etot 1.3528E+20 mv 6 36 116 168 0 + 4 e 542 42 etot -9.1813E+01 mv 6 36 167 90 0 + 4 e 442 62 etot -8.3842E+01 mv 6 36 28 40 0 c 58 244.7 0.4 + 4 e 650 54 etot -7.8134E+01 mv 6 36 137 61 0 + 4 e 290 77 etot -7.3005E+01 mv 6 36 41 51 0 + -1 e 1 116 etot 1.3528E+20 mv 6 36 116 47 0 + 4 e 509 69 etot -7.8835E+01 mv 6 36 28 64 0 + 4 e 217 96 etot -8.3316E+01 mv 6 36 110 152 0 + 4 e 606 63 etot -8.4716E+01 mv 6 36 28 46 0 c 159 304.0 1.0 + 4 e 326 90 etot -8.4357E+01 mv 6 36 138 52 0 c 138 3.9 0.0 + 4 e 250 97 etot -8.9366E+01 mv 6 36 110 79 0 + -1 e 1 122 etot 1.3528E+20 mv 6 36 144 137 0 + 4 e 442 79 etot -8.7859E+01 mv 6 36 41 193 0 + 4 e 313 94 etot -7.6538E+01 mv 6 36 110 39 0 + 4 e 326 91 etot -7.9275E+01 mv 6 36 110 199 0 + 4 e 136 114 etot -8.4507E+01 mv 6 36 116 67 0 c 116 1.1 0.0 + -1 e 1 127 etot 8.6670E+21 mv 6 36 144 8 0 + 4 e 128 112 etot -7.0983E+01 mv 6 36 116 167 0 + 4 e 303 101 etot -6.8240E+01 mv 6 36 196 95 0 + 4 e 322 100 etot -7.2283E+01 mv 6 36 110 129 0 + 4 e 317 102 etot -6.5217E+01 mv 6 36 196 88 0 + 4 e 261 109 etot -7.7870E+01 mv 6 36 196 189 0 + 4 e 578 75 etot -7.6528E+01 mv 6 36 41 160 0 + 4 e 476 87 etot -7.9197E+01 mv 6 36 138 156 0 + 4 e 328 107 etot -8.2751E+01 mv 6 36 196 159 0 + 4 e 540 64 etot -7.8857E+01 mv 6 36 28 107 0 + 4 e 622 81 etot -7.5149E+01 mv 6 36 138 144 0 + 4 e 221 120 etot -7.9270E+01 mv 6 36 116 154 0 + 4 e 423 104 etot -9.1813E+01 mv 6 36 196 131 0 + 4 e 192 128 etot -7.3844E+01 mv 6 36 144 129 0 + 4 e 502 95 etot -7.8554E+01 mv 6 36 110 32 0 + -1 e 1 141 etot 1.3528E+20 mv 6 36 93 51 0 + 4 e 389 108 etot -7.7687E+01 mv 6 36 196 15 0 + 4 e 332 115 etot -8.2698E+01 mv 6 36 116 171 0 + 4 e 584 66 etot -8.2871E+01 mv 6 36 28 135 0 f 148 371.9 2.1 + 4 e 308 105 etot -8.3562E+01 mv 6 36 196 84 0 + -1 e 1 146 etot 1.3528E+20 mv 6 36 93 15 0 + -1 e 1 147 etot 1.3528E+20 mv 6 36 93 104 0 + 4 e 652 86 etot -8.1466E+01 mv 6 36 138 96 0 + -1 e 1 149 etot 1.3528E+20 mv 6 36 93 7 0 + 4 e 300 119 etot -8.3854E+01 mv 6 36 116 160 0 + 4 e 280 113 etot -8.3373E+01 mv 6 36 116 51 0 + 4 e 282 124 etot -8.3908E+01 mv 6 36 144 41 0 c 144 242.7 0.3 + 4 e 629 89 etot -8.2679E+01 mv 6 36 138 44 0 + 4 e 314 121 etot -7.8039E+01 mv 6 36 144 67 0 + -1 e 1 156 etot 1.3528E+20 mv 6 36 108 122 0 + 4 e 190 135 etot -8.0910E+01 mv 6 36 44 12 0 + 4 e 275 131 etot -7.0831E+01 mv 6 36 44 66 0 + -1 e 1 159 etot 1.3528E+20 mv 6 36 108 144 0 + 4 e 507 84 etot -8.1948E+01 mv 6 36 138 24 0 + 4 e 52 160 etot -8.3855E+01 mv 6 36 108 160 0 c 160 0.1 0.0 + 4 e 87 154 etot -8.6361E+01 mv 6 36 108 25 0 c 25 0.4 0.0 + -1 e 1 163 etot 1.3528E+20 mv 6 36 189 22 0 + 4 e 361 125 etot -8.3580E+01 mv 6 36 144 90 0 + 4 e 387 123 etot -8.1137E+01 mv 6 36 144 151 0 + 4 e 165 144 etot -8.8612E+01 mv 6 36 93 67 0 c 67 0.8 0.0 + 4 e 293 133 etot -8.6653E+01 mv 6 36 44 192 0 + 4 e 385 126 etot -8.2259E+01 mv 6 36 144 184 0 + 4 e 323 117 etot -8.4507E+01 mv 6 36 116 49 0 + 4 e 489 118 etot -7.7503E+01 mv 6 36 116 171 0 + 4 e 241 143 etot -7.8282E+01 mv 6 36 93 10 0 + 4 e 333 136 etot -7.4740E+01 mv 6 36 44 63 0 + -1 e 1 173 etot 1.3528E+20 mv 6 36 26 92 0 + 4 e 365 134 etot -7.7348E+01 mv 6 36 44 68 0 + 4 e 430 110 etot -8.2001E+01 mv 6 36 196 134 0 + 4 e 241 150 etot -7.8526E+01 mv 6 36 93 192 0 + 4 e 330 129 etot -7.9426E+01 mv 6 36 144 63 0 + 4 e 452 132 etot -8.3264E+01 mv 6 36 44 78 0 + 4 e 315 140 etot -7.9759E+01 mv 6 36 44 159 0 + 4 e 275 152 etot -6.1152E+01 mv 6 36 108 145 0 + 4 e 374 139 etot -7.9586E+01 mv 6 36 44 69 0 + 4 e 358 142 etot 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mv 1 36 144 -179 0 + -1 e 1 382 etot 1.3528E+20 mv 1 36 189 -86 0 + 4 e 539 314 etot -6.8259E+01 mv 1 36 35 -200 0 + 4 e 388 334 etot -8.5200E+01 mv 1 36 28 -69 0 + 4 e 433 352 etot -6.5959E+01 mv 1 36 196 -61 0 + 4 e 418 354 etot -8.3647E+01 mv 1 36 196 -150 0 + 4 e 180 371 etot -7.1461E+01 mv 1 36 93 -51 0 + 4 e 311 349 etot -8.3327E+01 mv 1 36 110 -63 0 + 4 e 253 366 etot -7.3709E+01 mv 1 36 44 -42 0 + 4 e 237 368 etot -7.3710E+01 mv 1 36 44 -151 0 + 4 e 307 365 etot -8.3581E+01 mv 1 36 144 -35 0 + 4 e 172 376 etot -8.2585E+01 mv 1 36 108 -24 0 c 108 2.0 0.0 + 4 e 496 332 etot -7.7689E+01 mv 1 36 28 -58 0 + 4 e 608 347 etot -7.1560E+01 mv 1 36 110 -4 0 + -1 e 1 396 etot 1.3528E+20 mv 1 36 133 -15 0 + 4 e 207 380 etot -8.2585E+01 mv 1 36 108 -152 0 + 4 e 363 370 etot -7.5009E+01 mv 1 36 44 -198 0 + 4 e 492 344 etot -8.0565E+01 mv 1 36 138 -92 0 + 4 e 119 390 etot -8.3775E+01 mv 1 36 26 -168 0 + 4 e 443 363 etot -6.1842E+01 mv 1 36 144 -123 0 + 4 e 622 356 etot -8.1001E+01 mv 1 36 116 -166 0 + 4 e 219 391 etot -7.4605E+01 mv 1 36 175 -123 0 + 4 e 337 378 etot -6.0743E+01 mv 1 36 108 -32 0 + 4 e 364 373 etot -8.1773E+01 mv 1 36 93 -1 0 + 4 e 245 392 etot -5.8954E+01 mv 1 36 175 -85 0 + 4 e 96 402 etot -8.7326E+01 mv 0 36 174 0 0 + 4 e 508 355 etot -7.4281E+01 mv 1 36 196 -181 0 + 4 e 663 358 etot -6.7011E+01 mv 1 36 116 -186 0 + 4 e 82 401 etot -8.0765E+01 mv 0 36 120 0 0 + 4 e 528 369 etot -8.3452E+01 mv 1 36 44 -176 0 + 4 e 328 388 etot -6.8781E+01 mv 1 36 26 -162 0 + 4 e 267 381 etot -8.2488E+01 mv 1 36 189 -106 0 + 4 e 116 404 etot -8.6121E+01 mv 0 36 107 0 0 c 107 0.7 0.0 + 4 e 130 400 etot -6.5035E+01 mv 1 36 133 -48 0 + 4 e 107 405 etot -8.6067E+01 mv 0 36 167 0 0 c 167 0.3 0.0 + 4 e 139 403 etot -8.6171E+01 mv 0 36 35 0 0 + 4 e 85 408 etot -8.7381E+01 mv 0 36 41 0 0 c 41 1.0 0.0 + 4 e 457 374 etot -8.2181E+01 mv 1 36 93 -165 0 +## N0 total= 22 close= 9 far= 0 %acc 40.9 +## N1 total= 98 close= 5 far= 0 %acc 5.1 +## N2 total= 100 close= 5 far= 2 %acc 7.0 +## N3 total= 0 close= 0 far= 0 %acc 0.0 +## N4 total= 0 close= 0 far= 0 %acc 0.0 +## N5 total= 0 close= 0 far= 0 %acc 0.0 +## N6 total= 200 close= 25 far= 4 %acc 14.5 +## N7 total= 0 close= 0 far= 0 %acc 0.0 +## N8 total= 0 close= 0 far= 0 %acc 0.0 +## N9 total= 0 close= 0 far= 0 %acc 0.0 +##N10 total= 0 close= 0 far= 0 %acc 0.0 +##N11 total= 0 close= 0 far= 0 %acc 0.0 +##N12 total= 0 close= 0 far= 0 %acc 0.0 +##N13 total= 0 close= 0 far= 0 %acc 0.0 +##N14 total= 0 close= 0 far= 0 %acc 0.0 +##N15 total= 0 close= 0 far= 0 %acc 0.0 +##N16 total= 0 close= 0 far= 0 %acc 0.0 +##N17 total= 0 close= 0 far= 0 %acc 0.0 +##N18 total= 0 close= 0 far= 0 %acc 0.0 + Time for refresh 37 0.25 + make_var : nseed= 20 ntry= 420 + Time for make trial 38 0.05 +Nonsetup time 76.79 sec, Eval/s = 64252.34 +Time for iter 38 1.84 sec, Eval/s = 72363.93 + UPDATING 420 + 4 e 566 375 etot -8.4078E+01 mv 1 36 93 -22 0 c 93 132.3 1.1 + 4 e 579 372 etot -7.7407E+01 mv 1 36 93 -96 0 + 4 e 138 407 etot -8.5188E+01 mv 0 36 28 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mv 1 37 28 -66 0 f 52 375.5 2.3 + 4 e 500 344 etot -8.4803E+01 mv 1 37 196 -13 0 + 4 e 366 354 etot -8.2772E+01 mv 1 37 148 -39 0 f 13 386.4 1.8 + 4 e 324 358 etot -7.8129E+01 mv 1 37 103 -20 0 + 4 e 492 348 etot -7.9721E+01 mv 1 37 99 -122 0 + 4 e 160 365 etot -8.4531E+01 mv 1 37 83 -120 0 c 83 3.0 0.0 + 4 e 258 359 etot -8.1688E+01 mv 1 37 103 -62 0 + 4 e 508 349 etot -8.3076E+01 mv 1 37 99 -100 0 + 4 e 268 368 etot -7.0286E+01 mv 1 37 125 -51 0 + 4 e 386 361 etot -8.0273E+01 mv 1 37 83 -159 0 + 4 e 276 371 etot -8.2282E+01 mv 1 37 56 -84 0 + 4 e 266 375 etot -8.1654E+01 mv 1 37 56 -199 0 + 4 e 374 362 etot -8.0942E+01 mv 1 37 83 -45 0 + -1 e 1 398 etot 1.3528E+20 mv 1 37 153 -45 0 + 4 e 373 369 etot -7.4877E+01 mv 1 37 125 -21 0 + 4 e 157 390 etot -8.1990E+01 mv 1 37 42 -99 0 c 42 1.8 0.0 + 4 e 265 370 etot -8.2323E+01 mv 1 37 125 -45 0 + 4 e 588 352 etot -8.2016E+01 mv 1 37 148 -33 0 + 4 e 528 360 etot -8.1321E+01 mv 1 37 103 -149 0 + 4 e 358 377 etot -7.3135E+01 mv 1 37 122 -44 0 + 4 e 449 366 etot -8.0691E+01 mv 1 37 125 -124 0 + 4 e 178 396 etot -8.0418E+01 mv 1 37 153 -16 0 + 4 e 284 388 etot -7.9919E+01 mv 1 37 42 -150 0 + 4 e 680 353 etot -7.3381E+01 mv 1 37 148 -55 0 + 4 e 398 378 etot -8.0427E+01 mv 1 37 122 -60 0 + 4 e 351 386 etot -7.1914E+01 mv 1 37 42 -179 0 + 4 e 112 403 etot -8.7383E+01 mv 0 37 174 0 0 c 174 0.9 0.0 + 4 e 757 321 etot -8.4838E+01 mv 1 37 28 -34 0 + 4 e 407 380 etot -8.1437E+01 mv 1 37 122 -186 0 + 4 e 105 404 etot -8.6014E+01 mv 0 37 61 0 0 c 61 0.6 0.0 + 4 e 459 374 etot -8.2280E+01 mv 1 37 56 -146 0 + 4 e 130 401 etot -8.5080E+01 mv 0 37 109 0 0 c 109 1.2 0.0 + 4 e 33 414 etot -8.2323E+01 mv 0 37 125 0 0 + 4 e 446 382 etot -7.1832E+01 mv 1 37 159 -162 0 + 4 e 289 384 etot -8.5038E+01 mv 1 37 159 -120 0 c 159 59.2 0.3 +## N0 total= 18 close= 11 far= 0 %acc 61.1 +## N1 total= 102 close= 8 far= 2 %acc 9.8 +## N2 total= 100 close= 6 far= 1 %acc 7.0 +## N3 total= 0 close= 0 far= 0 %acc 0.0 +## N4 total= 0 close= 0 far= 0 %acc 0.0 +## N5 total= 0 close= 0 far= 0 %acc 0.0 +## N6 total= 200 close= 28 far= 2 %acc 15.0 +## N7 total= 0 close= 0 far= 0 %acc 0.0 +## N8 total= 0 close= 0 far= 0 %acc 0.0 +## N9 total= 0 close= 0 far= 0 %acc 0.0 +##N10 total= 0 close= 0 far= 0 %acc 0.0 +##N11 total= 0 close= 0 far= 0 %acc 0.0 +##N12 total= 0 close= 0 far= 0 %acc 0.0 +##N13 total= 0 close= 0 far= 0 %acc 0.0 +##N14 total= 0 close= 0 far= 0 %acc 0.0 +##N15 total= 0 close= 0 far= 0 %acc 0.0 +##N16 total= 0 close= 0 far= 0 %acc 0.0 +##N17 total= 0 close= 0 far= 0 %acc 0.0 +##N18 total= 0 close= 0 far= 0 %acc 0.0 + Time for refresh 38 0.29 + make_var : nseed= 20 ntry= 420 + Time for make trial 39 0.09 +Nonsetup time 78.70 sec, Eval/s = 64363.96 +Time for iter 39 1.90 sec, Eval/s = 68869.78 + UPDATING 420 + 4 e 295 393 etot -7.7434E+01 mv 1 37 74 -130 0 + 4 e 119 419 etot -8.1971E+01 mv 0 37 74 0 0 c 74 1.5 0.0 + 4 e 440 385 etot -7.4154E+01 mv 1 37 159 -57 0 + 4 e 148 412 etot -8.2541E+01 mv 0 37 103 0 0 c 103 0.8 0.0 + 4 e 570 387 etot -7.1776E+01 mv 1 37 42 -4 0 + 4 e 499 397 etot -8.0463E+01 mv 1 37 153 -20 0 + 4 e 581 379 etot -7.8846E+01 mv 1 37 122 -28 0 + 4 e 608 389 etot -6.9353E+01 mv 1 37 42 -71 0 + 4 e 137 405 etot -8.5926E+01 mv 0 37 28 0 0 c 28 1.4 0.0 + 4 e 97 407 etot -8.7150E+01 mv 0 37 180 0 0 c 180 0.8 0.0 + 4 e 98 415 etot -8.2283E+01 mv 0 37 56 0 0 c 56 1.0 0.0 + 4 e 220 408 etot -8.4702E+01 mv 0 37 78 0 0 c 78 0.8 0.0 + 4 e 341 394 etot -7.8100E+01 mv 1 37 74 -112 0 + 4 e 438 399 etot -8.1890E+01 mv 1 37 153 -132 0 + 4 e 144 406 etot -8.6660E+01 mv 0 37 23 0 0 c 23 1.2 0.0 + 4 e 135 416 etot -8.2268E+01 mv 0 37 122 0 0 c 122 3.1 0.0 + 4 e 249 417 etot -8.4720E+01 mv 0 37 159 0 0 + 4 e 440 400 etot -7.1547E+01 mv 1 37 153 -29 0 + 4 e 308 395 etot -7.1515E+01 mv 1 37 74 -12 0 + 4 e 113 418 etot -8.1990E+01 mv 0 37 42 0 0 c 42 1.1 0.0 + 4 e 114 409 etot -8.4641E+01 mv 0 37 196 0 0 + 4 e 110 410 etot -8.3794E+01 mv 0 37 99 0 0 c 99 0.9 0.0 + 4 e 138 411 etot -8.2874E+01 mv 0 37 148 0 0 + 4 e 578 391 etot -7.4940E+01 mv 1 37 74 -87 0 + 4 e 604 372 etot -7.8870E+01 mv 1 37 56 -121 0 + 4 e 523 392 etot -5.9306E+01 mv 1 37 74 -167 0 + 4 e 150 402 etot -8.6236E+01 mv 0 37 35 0 0 c 35 1.3 0.0 + 4 e 97 413 etot -8.4531E+01 mv 0 37 83 0 0 c 83 0.8 0.0 + 4 e 373 381 etot -8.3136E+01 mv 1 37 159 -7 0 + 4 e 407 376 etot -8.1436E+01 mv 1 37 122 -185 0 + 4 e 80 420 etot -8.1894E+01 mv 0 37 153 0 0 + -1 e 1 31 etot 1.3528E+20 mv 6 38 159 66 0 + 4 e 138 5 etot -8.6200E+01 mv 6 38 67 141 0 + 4 e 153 24 etot -8.2522E+01 mv 6 38 72 73 0 + -1 e 1 34 etot 1.0891E+23 mv 6 38 159 65 0 + 4 e 152 13 etot -7.1773E+01 mv 6 38 78 26 0 + 4 e 159 15 etot -7.2166E+01 mv 6 38 78 138 0 + 4 e 188 11 etot -7.3444E+01 mv 6 38 78 28 0 + 4 e 197 32 etot -8.2986E+01 mv 6 38 159 21 0 + 4 e 192 14 etot -8.8359E+01 mv 6 38 78 139 0 + 4 e 193 7 etot -7.8797E+01 mv 6 38 67 80 0 + 4 e 203 4 etot -8.5078E+01 mv 6 38 67 55 0 + 4 e 206 10 etot -7.9670E+01 mv 6 38 67 180 0 + 4 e 213 20 etot -6.9561E+01 mv 6 38 78 1 0 + 4 e 233 17 etot -8.3589E+01 mv 6 38 78 76 0 + 4 e 250 25 etot -7.5265E+01 mv 6 38 72 81 0 + 4 e 282 16 etot -7.0302E+01 mv 6 38 78 49 0 + 4 e 272 1 etot -8.5448E+01 mv 6 38 67 149 0 + 4 e 348 21 etot -8.3558E+01 mv 6 38 72 34 0 + 4 e 157 38 etot -8.2099E+01 mv 6 38 159 111 0 c 111 2.0 0.0 + 4 e 337 23 etot -6.8125E+01 mv 6 38 72 151 0 + 4 e 353 27 etot -8.1448E+01 mv 6 38 72 51 0 + 4 e 213 42 etot -8.0939E+01 mv 6 38 93 156 0 + 4 e 427 6 etot -7.8030E+01 mv 6 38 67 200 0 + 4 e 387 28 etot -8.3428E+01 mv 6 38 72 76 0 + 4 e 378 2 etot -8.2813E+01 mv 6 38 67 192 0 + 4 e 247 41 etot -8.4079E+01 mv 6 38 93 72 0 c 93 3.1 0.0 + 4 e 379 26 etot -8.4173E+01 mv 6 38 72 196 0 + 4 e 401 18 etot -7.6510E+01 mv 6 38 78 93 0 + 4 e 238 35 etot -8.5038E+01 mv 6 38 159 19 0 c 159 3.4 0.0 + 4 e 423 29 etot -8.3201E+01 mv 6 38 72 81 0 + 4 e 321 36 etot -7.4901E+01 mv 6 38 159 140 0 + -1 e 1 62 etot 1.3528E+20 mv 6 38 39 178 0 + 4 e 429 8 etot -8.7710E+01 mv 6 38 67 112 0 + 4 e 475 22 etot -7.4992E+01 mv 6 38 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6 38 58 52 0 + 4 e 387 57 etot -7.5591E+01 mv 6 38 58 66 0 + 4 e 184 72 etot -6.9581E+01 mv 6 38 125 34 0 + 4 e 280 56 etot -7.3722E+01 mv 6 38 58 189 0 + 4 e 256 58 etot -8.4648E+01 mv 6 38 58 13 0 + 4 e 400 48 etot -7.3621E+01 mv 6 38 93 35 0 + 4 e 135 79 etot -5.8120E+01 mv 6 38 125 52 0 + 4 e 172 70 etot -7.9412E+01 mv 6 38 39 74 0 + 4 e 254 66 etot -8.4392E+01 mv 6 38 39 99 0 c 99 29.7 0.6 + 4 e 376 59 etot -8.1963E+01 mv 6 38 58 44 0 + 4 e 221 77 etot -8.3366E+01 mv 6 38 125 98 0 c 125 2.6 0.0 + 4 e 637 43 etot -8.1052E+01 mv 6 38 93 169 0 f 34 481.4 0.0 + 4 e 287 71 etot -7.6965E+01 mv 6 38 125 167 0 + 4 e 162 84 etot -8.3289E+01 mv 6 38 52 65 0 c 52 2.5 0.0 + 4 e 466 64 etot -7.9246E+01 mv 6 38 39 125 0 + 4 e 372 69 etot -8.0758E+01 mv 6 38 39 43 0 + 4 e 206 82 etot -8.4312E+01 mv 6 38 52 40 0 c 52 30.2 1.0 + 4 e 318 76 etot -8.3180E+01 mv 6 38 125 93 0 + 4 e 607 53 etot -8.2050E+01 mv 6 38 58 156 0 + 4 e 307 68 etot -8.4469E+01 mv 6 38 39 164 0 + 4 e 378 74 etot -8.1779E+01 mv 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111 134 0 + 4 e 341 91 etot -8.3906E+01 mv 6 38 144 190 0 + 4 e 440 60 etot -7.7972E+01 mv 6 38 58 118 0 + 4 e 174 114 etot -6.4328E+01 mv 6 38 148 142 0 + 4 e 305 99 etot -8.3907E+01 mv 6 38 144 188 0 + 4 e 346 97 etot -8.3229E+01 mv 6 38 144 118 0 + 4 e 253 90 etot -8.3289E+01 mv 6 38 52 131 0 + 4 e 480 85 etot -7.6745E+01 mv 6 38 52 57 0 + 4 e 390 96 etot -8.3907E+01 mv 6 38 144 163 0 + 4 e 431 92 etot -7.4948E+01 mv 6 38 144 66 0 + 4 e 341 101 etot -8.3253E+01 mv 6 38 120 174 0 c 120 1.9 0.0 + 4 e 199 116 etot -7.9394E+01 mv 6 38 148 84 0 + 4 e 38 135 etot -8.3346E+01 mv 6 38 153 199 0 c 199 0.2 0.0 + 4 e 701 73 etot -8.2120E+01 mv 6 38 125 82 0 + 4 e 371 103 etot -8.5674E+01 mv 6 38 120 45 0 + 4 e 327 108 etot -7.6319E+01 mv 6 38 120 139 0 + 4 e 222 127 etot -6.8222E+01 mv 6 38 111 62 0 + 4 e 202 120 etot -7.2931E+01 mv 6 38 148 17 0 + 4 e 396 109 etot -8.2925E+01 mv 6 38 120 84 0 + 4 e 262 125 etot -8.0623E+01 mv 6 38 111 34 0 + 4 e 321 105 etot -7.2869E+01 mv 6 38 120 16 0 + 4 e 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0 + 4 e 229 145 etot -8.0435E+01 mv 6 38 11 113 0 + 4 e 272 142 etot -8.1778E+01 mv 6 38 11 193 0 c 11 2.9 0.0 + 4 e 334 139 etot -7.8981E+01 mv 6 38 153 68 0 + 4 e 246 147 etot -6.9890E+01 mv 6 38 11 42 0 + 4 e 185 157 etot -6.2784E+01 mv 6 38 21 84 0 + 4 e 407 137 etot -8.0132E+01 mv 6 38 153 10 0 + 4 e 374 140 etot -8.4477E+01 mv 6 38 153 67 0 c 44 108.9 0.5 + 4 e 186 146 etot -6.7712E+01 mv 6 38 11 55 0 + 4 e 556 126 etot -8.0078E+01 mv 6 38 111 80 0 + 4 e 92 167 etot -8.1990E+01 mv 6 38 197 42 0 c 42 0.6 0.0 + 4 e 259 153 etot -8.2242E+01 mv 6 38 21 98 0 c 21 286.4 0.6 + -1 e 1 178 etot 1.3528E+20 mv 6 38 90 97 0 + 4 e 241 156 etot -6.8586E+01 mv 6 38 21 49 0 + 4 e 735 110 etot -8.2794E+01 mv 6 38 120 10 0 + 4 e 582 131 etot -7.2899E+01 mv 6 38 153 35 0 + 4 e 181 161 etot -8.4993E+01 mv 6 38 197 158 0 + 4 e 454 122 etot -8.4250E+01 mv 6 38 111 129 0 + -1 e 1 184 etot 1.3528E+20 mv 6 38 166 174 0 + 4 e 235 159 etot -8.1913E+01 mv 6 38 21 186 0 + 4 e 230 166 etot -7.6631E+01 mv 6 38 197 55 0 + 4 e 330 158 etot -7.4010E+01 mv 6 38 21 68 0 + 4 e 178 173 etot -8.7538E+01 mv 6 38 90 101 0 + 4 e 329 164 etot -8.0807E+01 mv 6 38 197 52 0 + 4 e 484 149 etot -7.9095E+01 mv 6 38 11 156 0 + 4 e 196 177 etot -8.0439E+01 mv 6 38 90 79 0 + 4 e 447 154 etot -7.9488E+01 mv 6 38 21 143 0 + 4 e 291 168 etot -8.7305E+01 mv 6 38 197 88 0 + 4 e 378 143 etot -8.6225E+01 mv 6 38 11 101 0 + 4 e 208 180 etot -8.5026E+01 mv 6 38 90 76 0 c 90 32.9 0.8 + 4 e 549 119 etot -8.0839E+01 mv 6 38 148 97 0 + 4 e 254 162 etot -7.8532E+01 mv 6 38 197 103 0 + 4 e 300 171 etot -8.1097E+01 mv 6 38 90 147 0 + 4 e 196 175 etot -8.4063E+01 mv 6 38 90 120 0 + 4 e 480 132 etot -8.0630E+01 mv 6 38 153 64 0 + -1 e 1 201 etot 2.8287E+21 mv 2 38 67 -85 0 + 4 e 295 176 etot -8.5430E+01 mv 6 38 90 183 0 + 4 e 538 155 etot -8.0265E+01 mv 6 38 21 107 0 + -1 e 1 204 etot 1.3528E+20 mv 2 38 67 -87 0 + 4 e 334 174 etot -7.9454E+01 mv 6 38 90 44 0 + 4 e 115 192 etot -8.8656E+01 mv 6 38 87 67 0 c 67 2.4 0.0 + 4 e 373 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mv 1 38 120 -149 0 + 4 e 239 353 etot -6.9432E+01 mv 1 38 120 -24 0 + 4 e 263 363 etot -8.0693E+01 mv 1 38 111 -14 0 + 4 e 501 346 etot -8.4847E+01 mv 1 38 144 -157 0 c 99 219.9 0.5 + 4 e 574 339 etot -7.2199E+01 mv 1 38 125 -184 0 + 4 e 230 369 etot -8.2065E+01 mv 1 38 153 -31 0 + 4 e 595 343 etot -8.0471E+01 mv 1 38 52 -32 0 + 4 e 233 371 etot -8.1778E+01 mv 1 38 11 -16 0 + 4 e 193 380 etot -8.1311E+01 mv 1 38 21 -61 0 + 4 e 470 333 etot -7.9541E+01 mv 1 38 39 -126 0 + 4 e 342 367 etot -8.1490E+01 mv 1 38 153 -78 0 + 4 e 282 360 etot -8.3424E+01 mv 1 38 148 -51 0 + 4 e 184 386 etot -8.4237E+01 mv 1 38 90 -185 0 + 4 e 356 354 etot -7.5104E+01 mv 1 38 120 -186 0 + 4 e 474 359 etot -7.0498E+01 mv 1 38 148 -72 0 + 4 e 222 370 etot -6.6150E+01 mv 1 38 153 -101 0 + 4 e 255 381 etot -8.6326E+01 mv 1 38 197 -9 0 + 4 e 579 352 etot -7.0058E+01 mv 1 38 120 -35 0 + 4 e 507 362 etot -5.8786E+01 mv 1 38 111 -160 0 + 4 e 577 356 etot -7.8383E+01 mv 1 38 148 -43 0 + 4 e 494 365 etot -7.4285E+01 mv 1 38 111 -24 0 + 4 e 109 402 etot -8.4702E+01 mv 0 38 78 0 0 c 78 0.4 0.0 + 4 e 70 407 etot -8.3716E+01 mv 0 38 39 0 0 c 39 0.5 0.0 + 4 e 111 405 etot -8.4080E+01 mv 0 38 93 0 0 c 93 1.2 0.0 + 4 e 364 387 etot -7.8916E+01 mv 1 38 90 -121 0 + 4 e 260 385 etot -8.4150E+01 mv 1 38 197 -156 0 + 4 e 147 404 etot -8.5039E+01 mv 0 38 159 0 0 c 159 1.1 0.0 + 4 e 649 358 etot -8.3725E+01 mv 1 38 148 -122 0 + 4 e 115 401 etot -8.8656E+01 mv 0 38 67 0 0 + 4 e 307 392 etot -6.9196E+01 mv 1 38 166 -80 0 + 4 e 339 391 etot -7.3727E+01 mv 1 38 166 -104 0 + 4 e 215 400 etot -8.1542E+01 mv 1 38 87 -22 0 + 4 e 112 408 etot -8.3367E+01 mv 0 38 125 0 0 c 125 0.7 0.0 +## N0 total= 22 close= 17 far= 0 %acc 77.3 +## N1 total= 98 close= 7 far= 0 %acc 7.1 +## N2 total= 100 close= 7 far= 2 %acc 9.0 +## N3 total= 0 close= 0 far= 0 %acc 0.0 +## N4 total= 0 close= 0 far= 0 %acc 0.0 +## N5 total= 0 close= 0 far= 0 %acc 0.0 +## N6 total= 200 close= 23 far= 1 %acc 12.0 +## N7 total= 0 close= 0 far= 0 %acc 0.0 +## N8 total= 0 close= 0 far= 0 %acc 0.0 +## N9 total= 0 close= 0 far= 0 %acc 0.0 +##N10 total= 0 close= 0 far= 0 %acc 0.0 +##N11 total= 0 close= 0 far= 0 %acc 0.0 +##N12 total= 0 close= 0 far= 0 %acc 0.0 +##N13 total= 0 close= 0 far= 0 %acc 0.0 +##N14 total= 0 close= 0 far= 0 %acc 0.0 +##N15 total= 0 close= 0 far= 0 %acc 0.0 +##N16 total= 0 close= 0 far= 0 %acc 0.0 +##N17 total= 0 close= 0 far= 0 %acc 0.0 +##N18 total= 0 close= 0 far= 0 %acc 0.0 + Time for refresh 39 0.28 + make_var : nseed= 20 ntry= 420 + Time for make trial 40 0.05 +Nonsetup time 80.54 sec, Eval/s = 64490.43 +Time for iter 40 1.84 sec, Eval/s = 69888.54 + UPDATING 420 + 4 e 370 394 etot -8.2131E+01 mv 1 38 166 -39 0 + 4 e 381 390 etot -7.6128E+01 mv 1 38 90 -169 0 + 4 e 492 375 etot -7.9233E+01 mv 1 38 11 -72 0 + 4 e 611 388 etot -7.9599E+01 mv 1 38 90 -59 0 + 4 e 78 410 etot -8.3908E+01 mv 0 38 144 0 0 + 4 e 286 396 etot -8.0231E+01 mv 1 38 87 -62 0 + 4 e 127 415 etot -8.1778E+01 mv 0 38 11 0 0 c 11 1.2 0.0 + 4 e 495 398 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-7.6842E+01 mv 1 39 12 -77 0 + 4 e 188 395 etot -8.1461E+01 mv 1 39 68 -61 0 c 68 1.3 0.0 + 4 e 87 401 etot -8.4478E+01 mv 0 39 44 0 0 + 4 e 96 403 etot -8.5026E+01 mv 0 39 90 0 0 + 4 e 451 374 etot -8.7063E+01 mv 1 39 192 -129 0 + 4 e 65 408 etot -8.3921E+01 mv 0 39 80 0 0 + 4 e 530 367 etot -7.5720E+01 mv 1 39 21 -22 0 + 4 e 412 380 etot -8.1648E+01 mv 1 39 12 -34 0 + 4 e 559 362 etot -7.0873E+01 mv 1 39 81 -143 0 + 4 e 136 405 etot -8.4617E+01 mv 0 39 129 0 0 c 129 1.3 0.0 + 4 e 128 407 etot -8.2978E+01 mv 0 39 89 0 0 c 89 4.0 0.0 +## N0 total= 20 close= 11 far= 0 %acc 55.0 +## N1 total= 100 close= 9 far= 0 %acc 9.0 +## N2 total= 100 close= 4 far= 3 %acc 7.0 +## N3 total= 0 close= 0 far= 0 %acc 0.0 +## N4 total= 0 close= 0 far= 0 %acc 0.0 +## N5 total= 0 close= 0 far= 0 %acc 0.0 +## N6 total= 200 close= 26 far= 5 %acc 15.5 +## N7 total= 0 close= 0 far= 0 %acc 0.0 +## N8 total= 0 close= 0 far= 0 %acc 0.0 +## N9 total= 0 close= 0 far= 0 %acc 0.0 +##N10 total= 0 close= 0 far= 0 %acc 0.0 +##N11 total= 0 close= 0 far= 0 %acc 0.0 +##N12 total= 0 close= 0 far= 0 %acc 0.0 +##N13 total= 0 close= 0 far= 0 %acc 0.0 +##N14 total= 0 close= 0 far= 0 %acc 0.0 +##N15 total= 0 close= 0 far= 0 %acc 0.0 +##N16 total= 0 close= 0 far= 0 %acc 0.0 +##N17 total= 0 close= 0 far= 0 %acc 0.0 +##N18 total= 0 close= 0 far= 0 %acc 0.0 + Time for refresh 40 0.28 + make_var : nseed= 20 ntry= 420 + Time for make trial 41 0.08 +Nonsetup time 82.38 sec, Eval/s = 64615.71 +Time for iter 41 1.84 sec, Eval/s = 70111.32 + UPDATING 420 + 4 e 414 387 etot -7.3425E+01 mv 1 39 151 -25 0 + 4 e 532 378 etot -8.1255E+01 mv 1 39 12 -120 0 + 4 e 100 414 etot -8.2242E+01 mv 0 39 21 0 0 + 4 e 523 383 etot -8.1907E+01 mv 1 39 34 -143 0 c 34 18.8 0.3 + 4 e 129 419 etot -8.1461E+01 mv 0 39 68 0 0 c 68 1.1 0.0 + 4 e 526 386 etot -8.1754E+01 mv 1 39 151 -143 0 c 151 38.8 0.2 + 4 e 526 391 etot -8.2640E+01 mv 1 39 68 -121 0 c 68 136.6 1.2 + 4 e 582 388 etot -6.8462E+01 mv 1 39 151 -54 0 + 4 e 134 417 etot -8.1600E+01 mv 0 39 34 0 0 + 4 e 357 400 etot -7.0100E+01 mv 1 39 19 -137 0 + 4 e 131 416 etot -8.1736E+01 mv 0 39 12 0 0 c 12 1.3 0.0 + 4 e 708 373 etot -8.6100E+01 mv 1 39 192 -65 0 + 4 e 322 393 etot -6.4214E+01 mv 1 39 68 -143 0 + 4 e 86 411 etot -8.2714E+01 mv 0 39 189 0 0 c 189 0.9 0.0 + 4 e 130 413 etot -8.2306E+01 mv 0 39 81 0 0 + 4 e 45 420 etot -8.1444E+01 mv 0 39 19 0 0 c 19 0.1 0.0 + 4 e 447 397 etot -7.9528E+01 mv 1 39 19 -125 0 + 4 e 277 396 etot -8.0039E+01 mv 1 39 19 -192 0 + 4 e 537 394 etot -8.3670E+01 mv 1 39 68 -100 0 c 68 110.1 1.0 + 4 e 119 409 etot -8.2870E+01 mv 0 39 142 0 0 + 4 e 130 410 etot -8.2773E+01 mv 0 39 13 0 0 c 13 0.7 0.0 + 4 e 112 418 etot -8.1540E+01 mv 0 39 151 0 0 + 4 e 95 415 etot -8.7065E+01 mv 0 39 192 0 0 c 192 1.0 0.0 + 4 e 117 404 etot -8.5141E+01 mv 0 39 196 0 0 c 196 1.0 0.0 + 4 e 631 398 etot -8.3218E+01 mv 1 39 19 -166 0 + 4 e 545 352 etot -8.2711E+01 mv 1 39 189 -180 0 + 4 e 528 392 etot -7.5676E+01 mv 1 39 68 -57 0 + 4 e 123 406 etot 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-7.7574E+01 mv 6 40 121 183 0 + 4 e 450 71 etot -8.4365E+01 mv 6 40 179 182 0 c 179 141.2 0.8 + 4 e 479 90 etot -7.5466E+01 mv 6 40 121 19 0 + 4 e 468 94 etot -8.2521E+01 mv 6 40 114 184 0 + 4 e 262 113 etot -7.9441E+01 mv 6 40 166 53 0 + 4 e 271 115 etot -8.3815E+01 mv 6 40 166 44 0 + 4 e 177 119 etot -8.2888E+01 mv 6 40 166 67 0 c 166 1.5 0.0 + 4 e 405 105 etot -8.0619E+01 mv 6 40 142 63 0 + 4 e 372 108 etot -8.0154E+01 mv 6 40 142 72 0 + 4 e 287 104 etot -8.0896E+01 mv 6 40 142 158 0 + 4 e 306 118 etot -7.7649E+01 mv 6 40 166 33 0 + 4 e 363 111 etot -7.9313E+01 mv 6 40 166 51 0 + 4 e 277 124 etot -7.7785E+01 mv 6 40 81 24 0 + 4 e 339 116 etot -7.7307E+01 mv 6 40 166 109 0 + 4 e 297 125 etot -7.5471E+01 mv 6 40 81 93 0 + -1 e 1 145 etot 1.3528E+20 mv 6 40 163 53 0 + 4 e 637 97 etot -7.7178E+01 mv 6 40 114 188 0 + 4 e 255 129 etot -8.2824E+01 mv 6 40 81 100 0 + 4 e 77 144 etot -8.3748E+01 mv 6 40 163 73 0 c 73 0.1 0.0 + 4 e 420 120 etot -8.3408E+01 mv 6 40 166 55 0 + 4 e 249 130 etot 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40 81 154 0 + -1 e 1 171 etot 1.3528E+20 mv 6 40 17 197 0 + 4 e 377 135 etot -8.3483E+01 mv 6 40 130 172 0 + 4 e 554 123 etot -8.0964E+01 mv 6 40 81 182 0 + 4 e 513 127 etot -7.5573E+01 mv 6 40 81 111 0 + 4 e 246 140 etot -7.3833E+01 mv 6 40 130 163 0 + 4 e 227 149 etot -8.1860E+01 mv 6 40 163 103 0 + 4 e 146 157 etot -8.7407E+01 mv 6 40 44 92 0 + 4 e 213 150 etot -7.5414E+01 mv 6 40 163 55 0 + 4 e 266 132 etot -7.6575E+01 mv 6 40 130 200 0 + 4 e 248 147 etot -8.2161E+01 mv 6 40 163 2 0 c 163 2.9 0.0 + 4 e 385 138 etot -8.0847E+01 mv 6 40 130 79 0 + 4 e 63 173 etot -8.8087E+01 mv 6 40 17 101 0 c 101 0.3 0.0 + 4 e 290 146 etot -7.3055E+01 mv 6 40 163 52 0 + 4 e 269 148 etot -6.8527E+01 mv 6 40 163 55 0 + -1 e 1 185 etot 1.3528E+20 mv 6 40 21 14 0 + 4 e 422 136 etot -8.0654E+01 mv 6 40 130 106 0 + 4 e 407 143 etot -8.2160E+01 mv 6 40 163 46 0 + 4 e 395 131 etot -7.4622E+01 mv 6 40 130 110 0 + -1 e 1 189 etot 1.3528E+20 mv 6 40 21 106 0 + 4 e 317 158 etot -8.5429E+01 mv 6 40 44 5 0 + 4 e 365 154 etot -8.3893E+01 mv 6 40 44 191 0 + 4 e 287 170 etot -8.5111E+01 mv 6 40 9 50 0 + 4 e 211 182 etot -8.4849E+01 mv 6 40 21 99 0 + 4 e 457 152 etot -8.3059E+01 mv 6 40 44 178 0 + -1 e 1 195 etot 1.3528E+20 mv 6 40 118 63 0 + 4 e 405 159 etot -8.7889E+01 mv 6 40 44 71 0 + 4 e 373 162 etot -7.9118E+01 mv 6 40 9 26 0 + 4 e 344 167 etot -8.2698E+01 mv 6 40 9 171 0 + 4 e 255 183 etot -8.0656E+01 mv 6 40 21 97 0 + 4 e 306 177 etot -7.1573E+01 mv 6 40 17 22 0 + 4 e 276 181 etot -8.4391E+01 mv 6 40 21 178 0 + 4 e 224 176 etot -6.7183E+01 mv 6 40 17 127 0 + 4 e 454 160 etot -6.9985E+01 mv 6 40 44 6 0 + 4 e 286 184 etot -8.4975E+01 mv 6 40 21 88 0 + 4 e 394 172 etot -8.1363E+01 mv 6 40 17 61 0 + 4 e 343 179 etot -7.4240E+01 mv 6 40 17 138 0 + -1 e 1 207 etot 1.3528E+20 mv 2 40 90 -107 0 + 4 e 277 168 etot -8.2018E+01 mv 6 40 9 96 0 c 9 92.0 0.1 + -1 e 1 209 etot 1.3528E+20 mv 2 40 90 -112 0 + 4 e 378 153 etot -8.5593E+01 mv 6 40 44 101 0 + 4 e 533 156 etot -8.4477E+01 mv 6 40 44 96 0 + -1 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566 323 etot -8.3444E+01 mv 1 40 65 -40 0 + 4 e 205 355 etot -8.3296E+01 mv 1 40 142 -56 0 + 4 e 222 354 etot -6.5671E+01 mv 1 40 142 -126 0 + 4 e 533 331 etot -8.6142E+01 mv 1 40 26 -200 0 + 4 e 337 349 etot -7.9301E+01 mv 1 40 114 -15 0 + 4 e 543 336 etot -7.7479E+01 mv 1 40 179 -3 0 + 4 e 399 326 etot -8.2460E+01 mv 1 40 77 -119 0 + 4 e 346 340 etot -8.2288E+01 mv 1 40 179 -117 0 + 4 e 168 359 etot -8.2974E+01 mv 1 40 166 -161 0 c 166 12.8 0.1 + 4 e 623 329 etot -8.2649E+01 mv 1 40 77 -10 0 + 4 e 164 369 etot -8.3491E+01 mv 1 40 130 -14 0 c 130 2.3 0.0 + 4 e 560 342 etot -6.2479E+01 mv 1 40 121 -111 0 + 4 e 356 353 etot -6.9902E+01 mv 1 40 142 -53 0 + 4 e 275 362 etot -6.5337E+01 mv 1 40 81 -68 0 + 4 e 325 356 etot -7.5315E+01 mv 1 40 166 -179 0 + 4 e 259 364 etot -7.2667E+01 mv 1 40 81 -110 0 + 4 e 636 312 etot -4.9958E+01 mv 1 40 99 -89 0 + 4 e 292 366 etot -8.3323E+01 mv 1 40 130 -147 0 + -1 e 1 392 etot 1.3528E+20 mv 1 40 21 -51 0 + 4 e 356 361 etot -6.8555E+01 mv 1 40 81 -90 0 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166 -182 0 + 4 e 176 391 etot -6.6024E+01 mv 1 40 21 -131 0 + 4 e 366 379 etot -8.4477E+01 mv 1 40 44 -52 0 + 4 e 122 403 etot -8.4849E+01 mv 0 40 99 0 0 c 99 0.9 0.0 + 4 e 407 374 etot -8.1268E+01 mv 1 40 163 -144 0 + 4 e 80 408 etot -8.3542E+01 mv 0 40 179 0 0 + 4 e 99 406 etot -8.3879E+01 mv 0 40 77 0 0 c 77 1.0 0.0 +## N0 total= 19 close= 11 far= 0 %acc 57.9 +## N1 total= 101 close= 9 far= 0 %acc 8.9 +## N2 total= 100 close= 4 far= 0 %acc 4.0 +## N3 total= 0 close= 0 far= 0 %acc 0.0 +## N4 total= 0 close= 0 far= 0 %acc 0.0 +## N5 total= 0 close= 0 far= 0 %acc 0.0 +## N6 total= 200 close= 21 far= 2 %acc 11.5 +## N7 total= 0 close= 0 far= 0 %acc 0.0 +## N8 total= 0 close= 0 far= 0 %acc 0.0 +## N9 total= 0 close= 0 far= 0 %acc 0.0 +##N10 total= 0 close= 0 far= 0 %acc 0.0 +##N11 total= 0 close= 0 far= 0 %acc 0.0 +##N12 total= 0 close= 0 far= 0 %acc 0.0 +##N13 total= 0 close= 0 far= 0 %acc 0.0 +##N14 total= 0 close= 0 far= 0 %acc 0.0 +##N15 total= 0 close= 0 far= 0 %acc 0.0 +##N16 total= 0 close= 0 far= 0 %acc 0.0 +##N17 total= 0 close= 0 far= 0 %acc 0.0 +##N18 total= 0 close= 0 far= 0 %acc 0.0 + Time for refresh 41 0.36 + make_var : nseed= 20 ntry= 420 + Time for make trial 42 0.04 +Nonsetup time 84.27 sec, Eval/s = 64663.72 +Time for iter 42 1.89 sec, Eval/s = 66755.70 + UPDATING 420 + 4 e 222 395 etot -8.3899E+01 mv 1 40 21 -52 0 c 21 1.8 0.0 + 4 e 125 412 etot -8.2888E+01 mv 0 40 166 0 0 + 4 e 643 367 etot -7.0395E+01 mv 1 40 130 -69 0 + 4 e 74 413 etot -8.2825E+01 mv 0 40 81 0 0 c 81 0.8 0.0 + 4 e 215 401 etot -8.4073E+01 mv 0 40 148 0 0 + 4 e 107 411 etot -8.3296E+01 mv 0 40 142 0 0 c 142 1.1 0.0 + 4 e 142 405 etot -8.4603E+01 mv 0 40 65 0 0 c 65 3.6 0.0 + 4 e 446 385 etot -8.0443E+01 mv 1 40 9 -54 0 + 4 e 885 373 etot -8.3777E+01 mv 1 40 163 -108 0 + -1 e 1 2 etot 1.3528E+20 mv 6 41 162 41 0 + 4 e 384 393 etot -7.6265E+01 mv 1 40 21 -59 0 + 4 e 111 418 etot -8.1365E+01 mv 0 40 17 0 0 c 17 1.2 0.0 + 4 e 316 399 etot -7.8426E+01 mv 1 40 118 -68 0 + 4 e 490 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+Nonsetup time 86.00 sec, Eval/s = 64792.65 +Time for iter 43 1.73 sec, Eval/s = 71070.92 + UPDATING 420 + 4 e 361 390 etot -8.0518E+01 mv 1 41 85 -183 0 + 4 e 115 410 etot -8.2646E+01 mv 0 41 177 0 0 c 177 0.9 0.0 + 4 e 89 419 etot -8.8832E+01 mv 0 41 86 0 0 c 86 0.6 0.0 + 4 e 451 399 etot -8.3919E+01 mv 1 41 179 -107 0 + 4 e 419 386 etot -7.2470E+01 mv 1 41 85 -9 0 + 4 e 120 415 etot -8.1756E+01 mv 0 41 151 0 0 c 151 0.8 0.0 + 4 e 86 412 etot -8.4823E+01 mv 0 41 144 0 0 c 144 0.7 0.0 + 4 e 119 411 etot -8.2244E+01 mv 0 41 63 0 0 c 63 0.9 0.0 + 4 e 533 383 etot -7.5857E+01 mv 1 41 187 -60 0 + 4 e 132 420 etot -8.4367E+01 mv 0 41 179 0 0 c 179 1.8 0.0 + 4 e 449 384 etot -6.2193E+01 mv 1 41 187 -165 0 + 4 e 188 407 etot -8.3039E+01 mv 0 41 127 0 0 c 127 1.1 0.0 + 4 e 134 413 etot -8.2132E+01 mv 0 41 9 0 0 c 9 1.5 0.0 + 4 e 38 417 etot -8.2391E+01 mv 0 41 187 0 0 c 187 0.1 0.0 + 4 e 720 363 etot -7.1773E+01 mv 1 41 9 -71 0 + 4 e 525 397 etot -7.7200E+01 mv 1 41 179 -40 0 + 4 e 480 377 etot -6.5927E+01 mv 1 41 7 -62 0 + -1 e 1 9 etot 2.8218E+20 mv 6 42 17 29 0 + 4 e 602 385 etot -8.0242E+01 mv 1 41 187 -105 0 + 4 e 252 400 etot -8.3173E+01 mv 1 41 179 -96 0 + 4 e 167 416 etot -8.1724E+01 mv 0 41 7 0 0 c 7 2.5 0.0 + 4 e 361 394 etot -8.8832E+01 mv 1 41 86 -187 0 + 4 e 576 389 etot -8.1825E+01 mv 1 41 85 -165 0 f 19 447.3 0.4 + 4 e 525 387 etot -7.1703E+01 mv 1 41 85 -198 0 + 4 e 564 350 etot -8.2643E+01 mv 1 41 177 -84 0 + 4 e 554 364 etot -7.8102E+01 mv 1 41 9 -7 0 + 4 e 443 398 etot -7.4211E+01 mv 1 41 179 -128 0 + 4 e 107 418 etot -8.1349E+01 mv 0 41 85 0 0 + 4 e 425 391 etot -8.3090E+01 mv 1 41 86 -188 0 + 4 e 400 378 etot -7.2058E+01 mv 1 41 7 -104 0 + 4 e 566 367 etot -7.9178E+01 mv 1 41 34 -144 0 + 4 e 169 414 etot -8.1909E+01 mv 0 41 34 0 0 c 34 4.6 0.0 + -1 e 1 27 etot 1.3528E+20 mv 6 42 83 141 0 + 4 e 67 17 etot -8.1568E+01 mv 6 42 76 30 0 c 30 0.6 0.0 + 4 e 93 33 etot -8.6266E+01 mv 6 42 85 193 0 c 193 0.6 0.0 + 4 e 134 22 etot -8.2713E+01 mv 6 42 83 189 0 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0.6 + 4 e 362 29 etot -8.5722E+01 mv 6 42 83 192 0 + 4 e 399 16 etot -8.1647E+01 mv 6 42 76 74 0 + 4 e 276 35 etot -8.6139E+01 mv 6 42 85 130 0 c 4 235.4 0.0 + 4 e 348 34 etot -8.4213E+01 mv 6 42 85 114 0 + 4 e 384 32 etot -8.1134E+01 mv 6 42 85 105 0 + 4 e 142 45 etot -7.7201E+01 mv 6 42 90 146 0 + 4 e 387 30 etot -8.4852E+01 mv 6 42 83 57 0 + 4 e 438 14 etot -8.4957E+01 mv 6 42 76 9 0 + 4 e 426 21 etot -8.7216E+01 mv 6 42 83 15 0 + -1 e 1 66 etot 2.0339E+24 mv 6 42 114 173 0 + 4 e 533 6 etot -8.0178E+01 mv 6 42 17 143 0 + -1 e 1 68 etot 1.3528E+20 mv 6 42 114 180 0 + 4 e 416 3 etot -7.8230E+01 mv 6 42 17 33 0 + 4 e 200 53 etot -8.3603E+01 mv 6 42 99 163 0 + 4 e 262 52 etot -8.4797E+01 mv 6 42 99 181 0 + 4 e 318 44 etot -8.7007E+01 mv 6 42 90 99 0 + 4 e 328 46 etot -8.5982E+01 mv 6 42 90 123 0 + 4 e 506 15 etot -8.1387E+01 mv 6 42 76 56 0 + 4 e 269 43 etot -8.5631E+01 mv 6 42 90 35 0 + 4 e 417 38 etot -7.9560E+01 mv 6 42 85 56 0 + 4 e 532 18 etot -8.2240E+01 mv 6 42 76 63 0 + 4 e 242 55 etot -8.6348E+01 mv 6 42 99 154 0 + 4 e 334 40 etot -8.4717E+01 mv 6 42 85 101 0 c 94 322.2 1.3 + 4 e 262 49 etot -7.8931E+01 mv 6 42 90 176 0 + 4 e 198 65 etot -8.2718E+01 mv 6 42 114 21 0 + 4 e 355 54 etot -8.3084E+01 mv 6 42 99 134 0 + 4 e 504 25 etot -8.4956E+01 mv 6 42 83 76 0 + 4 e 584 31 etot -7.8976E+01 mv 6 42 85 41 0 + 4 e 301 48 etot -8.7007E+01 mv 6 42 90 37 0 + 4 e 436 41 etot -6.8418E+01 mv 6 42 90 12 0 + 4 e 638 8 etot -7.6288E+01 mv 6 42 17 174 0 + -1 e 1 88 etot 1.3528E+20 mv 6 42 147 28 0 + 4 e 247 57 etot -8.2135E+01 mv 6 42 99 64 0 + 4 e 264 60 etot -8.5061E+01 mv 6 42 99 134 0 + 4 e 263 62 etot -8.3754E+01 mv 6 42 114 190 0 + 4 e 213 77 etot -8.3366E+01 mv 6 42 122 125 0 + 4 e 251 63 etot -8.2062E+01 mv 6 42 114 127 0 + 4 e 329 59 etot -7.3806E+01 mv 6 42 99 66 0 + 4 e 395 51 etot -7.6380E+01 mv 6 42 99 185 0 + 4 e 374 69 etot -7.9036E+01 mv 6 42 114 42 0 + 4 e 197 82 etot -6.6872E+01 mv 6 42 147 11 0 + -1 e 1 98 etot 1.3528E+20 mv 6 42 148 56 0 + 4 e 508 56 etot -8.6299E+01 mv 6 42 99 180 0 + -1 e 1 100 etot 1.3528E+20 mv 6 42 148 125 0 + 4 e 384 71 etot -8.5336E+01 mv 6 42 122 37 0 + 4 e 373 75 etot -8.2098E+01 mv 6 42 122 175 0 + 4 e 370 58 etot -8.3382E+01 mv 6 42 99 125 0 c 125 169.0 0.0 + -1 e 1 104 etot 1.3528E+20 mv 6 42 161 20 0 + 4 e 340 64 etot -7.8724E+01 mv 6 42 114 43 0 + 4 e 311 81 etot -7.9001E+01 mv 6 42 147 139 0 + -1 e 1 107 etot 1.3528E+20 mv 6 42 161 119 0 + 4 e 21 108 etot -9.2233E+01 mv 6 42 161 104 0 c 104 0.0 0.0 + 4 e 331 94 etot -9.0694E+01 mv 6 42 148 29 0 + 4 e 493 70 etot -7.4912E+01 mv 6 42 114 159 0 + 4 e 503 72 etot -9.0898E+01 mv 6 42 122 48 0 + 4 e 510 74 etot -8.2856E+01 mv 6 42 122 133 0 c 153 343.9 0.8 + 4 e 321 97 etot -7.5453E+01 mv 6 42 148 189 0 + 4 e 492 73 etot -8.0245E+01 mv 6 42 122 154 0 + 4 e 434 89 etot -7.7587E+01 mv 6 42 147 57 0 + 4 e 443 78 etot -7.5808E+01 mv 6 42 122 54 0 + -1 e 1 110 etot 5.3746E+25 mv 6 42 161 108 0 + 4 e 429 76 etot -8.5560E+01 mv 6 42 122 117 0 + 4 e 330 87 etot -7.3643E+01 mv 6 42 147 22 0 + 4 e 347 99 etot -7.7604E+01 mv 6 42 148 49 0 + -1 e 1 113 etot 1.3528E+20 mv 6 42 93 6 0 + 4 e 224 103 etot -8.3133E+01 mv 6 42 161 156 0 c 156 21.6 0.3 + 4 e 713 61 etot -8.3955E+01 mv 6 42 114 118 0 + 4 e 350 80 etot -7.6935E+01 mv 6 42 122 36 0 + -1 e 1 109 etot 1.3528E+20 mv 6 42 161 112 0 + 4 e 634 67 etot -8.1834E+01 mv 6 42 114 142 0 + 4 e 328 93 etot -8.5662E+01 mv 6 42 148 15 0 c 148 10.6 0.0 + 4 e 475 83 etot -8.0238E+01 mv 6 42 147 100 0 + -1 e 1 122 etot 1.3528E+20 mv 6 42 8 44 0 + -1 e 1 121 etot 1.3528E+20 mv 6 42 8 75 0 + 4 e 322 84 etot -7.7003E+01 mv 6 42 147 83 0 + 4 e 259 91 etot -8.5672E+01 mv 6 42 148 52 0 c 148 93.6 0.0 + 4 e 214 90 etot -8.8222E+01 mv 6 42 147 86 0 + 4 e 270 85 etot -8.5499E+01 mv 6 42 147 18 0 c 3 125.0 0.6 + 4 e 284 92 etot -8.9421E+01 mv 6 42 148 117 0 + 4 e 359 101 etot -8.8242E+01 mv 6 42 161 144 0 + 4 e 459 86 etot -7.8724E+01 mv 6 42 147 52 0 + 4 e 453 95 etot -7.7544E+01 mv 6 42 148 173 0 + 4 e 698 79 etot -8.5736E+01 mv 6 42 122 34 0 f 59 401.7 4.2 + 4 e 524 102 etot -8.1776E+01 mv 6 42 161 52 0 + 4 e 163 125 etot -6.9228E+01 mv 6 42 8 115 0 + 4 e 144 136 etot -6.4465E+01 mv 6 42 1 50 0 + 4 e 373 105 etot -7.9785E+01 mv 6 42 161 138 0 + 4 e 225 123 etot -8.9200E+01 mv 6 42 8 5 0 + 4 e 236 131 etot -7.1349E+01 mv 6 42 1 123 0 + 4 e 225 124 etot -9.0746E+01 mv 6 42 8 170 0 + 4 e 228 115 etot -7.3025E+01 mv 6 42 93 173 0 + 4 e 235 137 etot -8.2540E+01 mv 6 42 1 103 0 + 4 e 240 128 etot -8.3817E+01 mv 6 42 8 164 0 + 4 e 278 116 etot -7.7314E+01 mv 6 42 93 128 0 + 4 e 480 96 etot -8.4153E+01 mv 6 42 148 188 0 c 95 98.7 0.7 + 4 e 291 119 etot -7.6554E+01 mv 6 42 93 132 0 + -1 e 1 152 etot 1.3528E+20 mv 6 42 174 121 0 + 4 e 302 111 etot -8.3419E+01 mv 6 42 93 42 0 + 4 e 229 126 etot -8.7631E+01 mv 6 42 8 53 0 + 4 e 282 120 etot -7.8061E+01 mv 6 42 93 164 0 + 4 e 319 118 etot -8.4079E+01 mv 6 42 93 123 0 + 4 e 312 138 etot -8.5981E+01 mv 6 42 1 61 0 + 4 e 332 117 etot -8.3695E+01 mv 6 42 93 44 0 + 4 e 330 130 etot -7.2196E+01 mv 6 42 8 102 0 + 4 e 303 140 etot -8.2427E+01 mv 6 42 1 164 0 + 4 e 471 106 etot -8.8242E+01 mv 6 42 161 27 0 + 4 e 380 112 etot -8.3443E+01 mv 6 42 93 122 0 + 4 e 238 142 etot -8.5152E+01 mv 6 42 124 167 0 + 4 e 377 114 etot -8.0991E+01 mv 6 42 93 80 0 + 4 e 431 129 etot -7.4145E+01 mv 6 42 8 172 0 + 4 e 139 153 etot -8.6705E+01 mv 6 42 174 99 0 + -1 e 1 167 etot 1.3528E+20 mv 6 42 139 35 0 + 4 e 207 145 etot -6.7514E+01 mv 6 42 124 27 0 + 4 e 431 127 etot -8.8108E+01 mv 6 42 8 91 0 + 4 e 334 135 etot -7.5968E+01 mv 6 42 1 71 0 + 4 e 337 134 etot -8.4456E+01 mv 6 42 1 16 0 + 4 e 535 139 etot -8.8113E+01 mv 6 42 1 150 0 + 4 e 229 160 etot -8.4573E+01 mv 6 42 174 62 0 + 4 e 248 159 etot -7.6250E+01 mv 6 42 174 61 0 + 4 e 240 158 etot -8.7382E+01 mv 6 42 174 159 0 + 4 e 229 161 etot -7.3084E+01 mv 6 42 139 61 0 + 4 e 347 148 etot -7.9680E+01 mv 6 42 124 37 0 + -1 e 1 179 etot 1.3528E+20 mv 6 42 79 3 0 + 4 e 362 150 etot -7.8880E+01 mv 6 42 124 156 0 + 4 e 442 133 etot -8.2313E+01 mv 6 42 1 10 0 + -1 e 1 182 etot 1.3528E+20 mv 6 42 157 163 0 + 4 e 410 146 etot -8.6174E+01 mv 6 42 124 194 0 + 4 e 430 132 etot -7.7480E+01 mv 6 42 1 159 0 + 4 e 257 164 etot -8.0338E+01 mv 6 42 139 85 0 + 4 e 256 154 etot -8.3235E+01 mv 6 42 174 121 0 + 4 e 456 147 etot -8.6093E+01 mv 6 42 124 66 0 + 4 e 320 144 etot -8.6900E+01 mv 6 42 124 24 0 + 4 e 377 157 etot -7.8176E+01 mv 6 42 174 12 0 + 4 e 571 141 etot -8.0534E+01 mv 6 42 124 151 0 + 4 e 313 165 etot -8.6934E+01 mv 6 42 139 160 0 + 4 e 433 151 etot -8.1421E+01 mv 6 42 174 66 0 + 4 e 293 169 etot -8.5637E+01 mv 6 42 139 57 0 + 4 e 316 166 etot -8.3373E+01 mv 6 42 139 57 0 f 173 371.5 1.8 + 4 e 371 162 etot -7.8543E+01 mv 6 42 139 189 0 + 4 e 257 171 etot -7.3623E+01 mv 6 42 79 163 0 + 4 e 380 143 etot -8.2648E+01 mv 6 42 124 85 0 + 4 e 179 176 etot -7.5283E+01 mv 6 42 79 174 0 + 4 e 551 149 etot -8.2845E+01 mv 6 42 124 100 0 c 100 51.8 0.5 + 4 e 211 180 etot -6.8619E+01 mv 6 42 79 48 0 + 4 e 515 156 etot -7.7078E+01 mv 6 42 174 171 0 + -1 e 1 202 etot 1.3528E+20 mv 2 42 17 -169 0 + 4 e 286 178 etot -8.1248E+01 mv 6 42 79 38 0 + 4 e 261 172 etot -8.3690E+01 mv 6 42 79 192 0 + 4 e 292 177 etot -8.7073E+01 mv 6 42 79 117 0 c 79 192.7 0.1 + 4 e 151 194 etot -8.5208E+01 mv 6 42 23 21 0 + 4 e 436 170 etot -8.6329E+01 mv 6 42 139 117 0 + 4 e 611 155 etot -6.9142E+01 mv 6 42 174 108 0 + 4 e 504 168 etot -7.3663E+01 mv 6 42 139 103 0 + 4 e 382 163 etot -7.7398E+01 mv 6 42 139 36 0 + 4 e 275 190 etot -7.3520E+01 mv 6 42 157 17 0 + 4 e 333 186 etot -8.6797E+01 mv 6 42 157 62 0 + 4 e 419 175 etot -8.0078E+01 mv 6 42 79 107 0 + 4 e 199 201 etot -8.2224E+01 mv 2 42 17 -161 0 + 4 e 312 192 etot -7.3870E+01 mv 6 42 23 91 0 + 4 e 323 193 etot -8.5808E+01 mv 6 42 23 30 0 + 4 e 403 184 etot -8.5046E+01 mv 6 42 157 94 0 + 4 e 460 181 etot -7.8773E+01 mv 6 42 157 82 0 + 4 e 260 203 etot -7.8558E+01 mv 2 42 17 -113 0 + -1 e 1 220 etot 1.3528E+20 mv 2 42 85 -180 0 + 4 e 147 205 etot -8.2225E+01 mv 2 42 17 -185 0 c 17 1.3 0.0 + 4 e 513 174 etot -8.5505E+01 mv 6 42 79 176 0 + -1 e 1 223 etot 1.3528E+20 mv 2 42 90 -191 0 + -1 e 1 224 etot 1.3528E+20 mv 2 42 90 -69 0 + 4 e 194 209 etot -8.5875E+01 mv 2 42 76 -12 0 c 76 2.7 0.0 + 4 e 301 200 etot -8.0908E+01 mv 6 42 23 133 0 + -1 e 1 227 etot 2.0311E+22 mv 2 42 99 -65 0 + 4 e 358 197 etot -7.5189E+01 mv 6 42 23 183 0 + 4 e 400 195 etot -8.3569E+01 mv 6 42 23 173 0 + 4 e 278 204 etot -8.2224E+01 mv 2 42 17 -52 0 + -1 e 1 231 etot 1.3528E+20 mv 2 42 114 -125 0 + 4 e 369 185 etot -7.0663E+01 mv 6 42 157 110 0 + 4 e 176 214 etot -8.3236E+01 mv 2 42 83 -188 0 + 4 e 246 210 etot -8.5875E+01 mv 2 42 76 -82 0 + 4 e 492 188 etot -8.2300E+01 mv 6 42 157 59 0 + 4 e 329 206 etot -7.4321E+01 mv 2 42 76 -156 0 + 4 e 201 216 etot -6.8117E+01 mv 2 42 85 -56 0 + 4 e 400 183 etot -8.0650E+01 mv 6 42 157 35 0 + 4 e 479 173 etot -8.5701E+01 mv 6 42 79 19 0 + 4 e 530 199 etot -8.5445E+01 mv 6 42 23 78 0 + 4 e 228 226 etot -8.0569E+01 mv 2 42 99 -17 0 + -1 e 1 242 etot 1.3528E+20 mv 2 42 147 -36 0 + 4 e 241 221 etot -8.1246E+01 mv 2 42 90 -3 0 + -1 e 1 244 etot 1.3528E+20 mv 2 42 147 -154 0 + 4 e 304 217 etot -6.9614E+01 mv 2 42 85 -25 0 + 4 e 355 213 etot -7.5758E+01 mv 2 42 83 -198 0 + 4 e 633 191 etot -8.9526E+01 mv 6 42 23 122 0 c 117 152.7 0.1 + 4 e 615 196 etot -8.8800E+01 mv 6 42 23 154 0 + -1 e 1 249 etot 1.3528E+20 mv 2 42 148 -129 0 + 4 e 437 198 etot -7.0737E+01 mv 6 42 23 82 0 + 4 e 266 225 etot -8.5648E+01 mv 2 42 90 -96 0 + 4 e 397 212 etot -6.8793E+01 mv 2 42 83 -170 0 + 4 e 297 211 etot -8.2361E+01 mv 2 42 83 -193 0 + -1 e 1 254 etot 1.3528E+20 mv 2 42 161 -8 0 + 4 e 496 208 etot -6.7638E+01 mv 2 42 76 -178 0 + 4 e 498 187 etot -8.6796E+01 mv 6 42 157 158 0 + 4 e 391 215 etot -8.5405E+01 mv 2 42 83 -81 0 + 4 e 481 189 etot -7.9827E+01 mv 6 42 157 194 0 + 4 e 266 232 etot -7.0360E+01 mv 2 42 114 -28 0 + 4 e 365 218 etot -7.2742E+01 mv 2 42 85 -179 0 + 4 e 300 235 etot -8.3253E+01 mv 2 42 114 -27 0 + -1 e 1 262 etot 1.3528E+20 mv 2 42 8 189 0 + 4 e 398 228 etot -8.0464E+01 mv 2 42 99 -31 0 + 4 e 293 222 etot -5.7910E+01 mv 2 42 90 -198 0 + 4 e 348 236 etot -7.4557E+01 mv 2 42 122 -26 0 + 4 e 236 241 etot -7.0713E+01 mv 2 42 147 -182 0 + 4 e 148 258 etot -7.3530E+01 mv 2 42 93 -145 0 + 4 e 354 238 etot -7.6105E+01 mv 2 42 122 -168 0 + 4 e 255 245 etot -7.0212E+01 mv 2 42 147 -102 0 + 4 e 720 207 etot -7.2526E+01 mv 2 42 76 -149 0 + 4 e 243 250 etot -7.9871E+01 mv 2 42 148 -167 0 + 4 e 523 229 etot -5.9171E+01 mv 2 42 99 -102 0 + 4 e 308 243 etot -7.1396E+01 mv 2 42 147 -77 0 + 4 e 111 269 etot -6.6663E+01 mv 2 42 1 33 0 + 4 e 309 239 etot -8.0464E+01 mv 2 42 122 -143 0 + 4 e 332 252 etot -7.5416E+01 mv 2 42 161 -35 0 + 4 e 622 219 etot -7.8909E+01 mv 2 42 85 -90 0 + -1 e 1 277 etot 1.3528E+20 mv 2 42 174 172 0 + 4 e 584 230 etot -7.5285E+01 mv 2 42 99 -45 0 + 4 e 290 260 etot -8.4079E+01 mv 2 42 93 185 0 + 4 e 530 237 etot -5.5808E+01 mv 2 42 122 -65 0 + 4 e 309 261 etot -7.7218E+01 mv 2 42 8 68 0 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286 etot -8.5962E+01 mv 2 42 79 -58 0 + 4 e 385 279 etot -8.2263E+01 mv 2 42 174 185 0 f 87 413.9 0.7 + 4 e 289 291 etot -8.6797E+01 mv 2 42 157 93 0 + 4 e 148 300 etot -8.6660E+01 mv 2 42 23 165 0 + 4 e 175 307 etot -6.9205E+01 mv 1 42 76 -9 0 + 4 e 247 304 etot -7.2633E+01 mv 1 42 17 -52 0 + 4 e 344 294 etot -8.0438E+01 mv 2 42 157 103 0 + 4 e 169 314 etot -8.5091E+01 mv 1 42 83 -92 0 c 83 2.8 0.0 + 4 e 395 288 etot -8.2258E+01 mv 2 42 79 -86 0 f 96 382.5 0.7 + 4 e 196 315 etot -8.5090E+01 mv 1 42 83 -65 0 + 4 e 491 265 etot -8.3338E+01 mv 2 42 8 -43 0 f 30 362.8 1.8 + 4 e 285 289 etot -8.3082E+01 mv 2 42 79 -115 0 + 4 e 505 284 etot -7.3047E+01 mv 2 42 139 -132 0 + 4 e 355 299 etot -7.6798E+01 mv 2 42 23 125 0 + -1 e 1 338 etot 1.3528E+20 mv 1 42 122 -106 0 + 4 e 575 257 etot -8.1760E+01 mv 2 42 93 112 0 + 4 e 264 308 etot -8.4849E+01 mv 1 42 76 -17 0 + 4 e 241 320 etot -8.5025E+01 mv 1 42 85 -176 0 c 85 3.2 0.0 + 4 e 243 321 etot -8.7007E+01 mv 1 42 90 -68 0 c 90 1.8 0.0 + 4 e 686 274 etot -8.8025E+01 mv 2 42 124 -2 0 c 124 17.8 0.2 + 4 e 232 326 etot -8.5061E+01 mv 1 42 99 -8 0 + 4 e 292 316 etot -8.4801E+01 mv 1 42 85 -158 0 + 4 e 371 306 etot -7.3208E+01 mv 1 42 76 -165 0 + 4 e 349 311 etot -8.3958E+01 mv 1 42 83 -95 0 + 4 e 428 305 etot -7.7560E+01 mv 1 42 17 -40 0 + 4 e 343 298 etot -8.6659E+01 mv 2 42 23 -45 0 + 4 e 456 303 etot -6.0220E+01 mv 1 42 17 -71 0 + 4 e 199 333 etot -8.1501E+01 mv 1 42 114 -34 0 + 4 e 557 293 etot -8.5664E+01 mv 2 42 157 24 0 + 4 e 258 331 etot -7.2105E+01 mv 1 42 114 -142 0 + 4 e 435 310 etot -8.2102E+01 mv 1 42 76 -34 0 + 4 e 529 302 etot -8.1604E+01 mv 1 42 17 -74 0 + 4 e 360 325 etot -8.7006E+01 mv 1 42 90 -28 0 + 4 e 228 337 etot -6.9019E+01 mv 1 42 122 -163 0 + 4 e 361 327 etot -7.9019E+01 mv 1 42 99 -102 0 + -1 e 1 359 etot 1.3528E+20 mv 1 42 93 -36 0 + 4 e 274 328 etot -7.4924E+01 mv 1 42 99 -83 0 + 4 e 307 324 etot -8.6121E+01 mv 1 42 90 -91 0 + 4 e 233 343 etot -8.1698E+01 mv 1 42 147 -37 0 + 4 e 325 322 etot -8.0577E+01 mv 1 42 90 -140 0 + 4 e 406 330 etot -7.7288E+01 mv 1 42 99 -71 0 + 4 e 432 329 etot -8.4440E+01 mv 1 42 99 -196 0 + 4 e 340 339 etot -7.6420E+01 mv 1 42 122 -176 0 + 4 e 249 335 etot -8.2409E+01 mv 1 42 114 -25 0 + 4 e 243 348 etot -5.9621E+01 mv 1 42 148 -149 0 + 4 e 217 351 etot -8.8243E+01 mv 1 42 161 -110 0 c 161 2.0 0.0 + 4 e 385 334 etot -8.4092E+01 mv 1 42 114 -2 0 + 4 e 249 340 etot -7.4558E+01 mv 1 42 122 -12 0 + 4 e 275 336 etot -8.5172E+01 mv 1 42 122 -89 0 + 4 e 342 342 etot -6.2518E+01 mv 1 42 147 -119 0 + 4 e 196 358 etot -6.2477E+01 mv 1 42 93 -51 0 + 4 e 356 345 etot -7.1491E+01 mv 1 42 147 -178 0 + 4 e 230 356 etot -8.4079E+01 mv 1 42 93 -1 0 + 4 e 442 341 etot -7.2755E+01 mv 1 42 147 -53 0 + 4 e 286 355 etot -8.8243E+01 mv 1 42 161 -174 0 c 161 1.0 0.0 + 4 e 149 366 etot -8.8115E+01 mv 1 42 1 176 0 + -1 e 1 379 etot 2.8450E+26 mv 1 42 174 -78 0 + 4 e 431 344 etot -8.5453E+01 mv 1 42 147 -120 0 c 147 6.7 0.0 + -1 e 1 382 etot 1.3528E+20 mv 1 42 139 -75 0 + 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381 etot -8.8359E+01 mv 1 42 139 188 0 + 4 e 184 387 etot -8.6996E+01 mv 1 42 79 76 0 + 4 e 280 377 etot -8.7383E+01 mv 1 42 174 -187 0 + 4 e 232 380 etot -8.7383E+01 mv 1 42 174 -161 0 + 4 e 169 390 etot -8.6996E+01 mv 1 42 79 21 0 + 4 e 241 383 etot -7.0176E+01 mv 1 42 139 20 0 + 4 e 405 367 etot -8.2790E+01 mv 1 42 1 74 0 + 4 e 345 374 etot -8.7117E+01 mv 1 42 124 -96 0 + 4 e 231 389 etot -8.3765E+01 mv 1 42 79 -100 0 f 40 365.1 2.1 + 4 e 78 403 etot -8.5091E+01 mv 0 42 83 0 0 c 83 1.3 0.0 + 4 e 83 404 etot -8.5025E+01 mv 0 42 85 0 0 c 85 1.6 0.0 + 4 e 81 405 etot -8.7008E+01 mv 0 42 90 0 0 c 90 1.0 0.0 + 4 e 82 406 etot -8.5062E+01 mv 0 42 99 0 0 c 99 1.3 0.0 + 4 e 67 409 etot -8.5453E+01 mv 0 42 147 0 0 + 4 e 118 402 etot -8.5875E+01 mv 0 42 76 0 0 c 76 1.5 0.0 + 4 e 16 416 etot -8.7383E+01 mv 0 42 174 0 0 + 4 e 91 407 etot -8.4094E+01 mv 0 42 114 0 0 c 114 2.0 0.0 +## N0 total= 20 close= 17 far= 0 %acc 85.0 +## N1 total= 100 close= 8 far= 2 %acc 10.0 +## N2 total= 100 close= 4 far= 3 %acc 7.0 +## N3 total= 0 close= 0 far= 0 %acc 0.0 +## N4 total= 0 close= 0 far= 0 %acc 0.0 +## N5 total= 0 close= 0 far= 0 %acc 0.0 +## N6 total= 200 close= 18 far= 2 %acc 10.0 +## N7 total= 0 close= 0 far= 0 %acc 0.0 +## N8 total= 0 close= 0 far= 0 %acc 0.0 +## N9 total= 0 close= 0 far= 0 %acc 0.0 +##N10 total= 0 close= 0 far= 0 %acc 0.0 +##N11 total= 0 close= 0 far= 0 %acc 0.0 +##N12 total= 0 close= 0 far= 0 %acc 0.0 +##N13 total= 0 close= 0 far= 0 %acc 0.0 +##N14 total= 0 close= 0 far= 0 %acc 0.0 +##N15 total= 0 close= 0 far= 0 %acc 0.0 +##N16 total= 0 close= 0 far= 0 %acc 0.0 +##N17 total= 0 close= 0 far= 0 %acc 0.0 +##N18 total= 0 close= 0 far= 0 %acc 0.0 + Time for refresh 43 0.27 + make_var : nseed= 20 ntry= 420 + Time for make trial 44 0.07 +Nonsetup time 87.87 sec, Eval/s = 64923.76 +Time for iter 44 1.87 sec, Eval/s = 70949.41 + UPDATING 420 + 4 e 249 391 etot -8.6797E+01 mv 1 42 157 168 0 + 4 e 67 413 etot -8.9201E+01 mv 0 42 8 0 0 c 8 0.2 0.0 + 4 e 44 417 etot 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etot -8.6796E+01 mv 1 42 157 124 0 + 4 e 67 414 etot -8.8115E+01 mv 0 42 1 0 0 c 1 0.3 0.0 + 4 e 637 350 etot -7.5555E+01 mv 1 42 148 -190 0 + 4 e 477 372 etot -8.2754E+01 mv 1 42 124 -74 0 + 4 e 626 362 etot -8.0336E+01 mv 1 42 8 -33 0 + 4 e 346 373 etot -8.7809E+01 mv 1 42 124 85 0 + 4 e 284 395 etot -6.8734E+01 mv 1 42 157 -195 0 + 4 e 253 394 etot -7.8295E+01 mv 1 42 157 152 0 + 4 e 328 368 etot -8.4361E+01 mv 1 42 1 77 0 + 4 e 404 364 etot -8.9199E+01 mv 1 42 8 55 0 + 4 e 19 22 etot -8.6361E+01 mv 6 43 19 25 0 c 25 0.0 0.0 + 4 e 60 18 etot -8.3492E+01 mv 6 43 4 130 0 c 130 0.4 0.0 + -1 e 1 34 etot 1.3528E+20 mv 6 43 30 32 0 + 4 e 148 16 etot -6.2103E+01 mv 6 43 4 135 0 + 4 e 183 21 etot -6.9182E+01 mv 6 43 19 63 0 + 4 e 197 32 etot -8.4212E+01 mv 6 43 30 140 0 c 169 119.6 1.1 + 4 e 211 15 etot -8.6139E+01 mv 6 43 4 113 0 + 4 e 251 5 etot -7.9279E+01 mv 6 43 3 38 0 + 4 e 169 35 etot -8.3339E+01 mv 6 43 30 76 0 c 30 2.7 0.0 + 4 e 224 33 etot -8.4340E+01 mv 6 43 30 131 0 c 30 220.8 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49 etot -7.5331E+01 mv 6 43 40 194 0 + -1 e 1 84 etot 1.3528E+20 mv 6 43 94 172 0 + 4 e 205 68 etot -7.3411E+01 mv 6 43 79 29 0 + -1 e 1 86 etot 1.3528E+20 mv 6 43 94 4 0 + 4 e 341 57 etot -8.8950E+01 mv 6 43 59 88 0 c 152 113.8 2.2 + 4 e 220 69 etot -7.2294E+01 mv 6 43 79 64 0 + 4 e 276 61 etot -8.2398E+01 mv 6 43 79 7 0 c 96 273.2 0.1 + 4 e 290 58 etot -8.3288E+01 mv 6 43 59 164 0 + 4 e 276 67 etot -8.2624E+01 mv 6 43 79 149 0 + 4 e 324 62 etot -7.4251E+01 mv 6 43 79 192 0 + 4 e 381 52 etot -8.5430E+01 mv 6 43 59 147 0 + 4 e 251 65 etot -8.9422E+01 mv 6 43 79 25 0 + 4 e 259 66 etot -8.7073E+01 mv 6 43 79 106 0 c 79 2.8 0.0 + 4 e 511 44 etot -7.9106E+01 mv 6 43 40 49 0 + 4 e 282 64 etot -8.7073E+01 mv 6 43 79 129 0 + 4 e 346 60 etot -8.2234E+01 mv 6 43 59 47 0 + -1 e 1 98 etot 1.3528E+20 mv 6 43 95 160 0 + 4 e 346 71 etot -8.2263E+01 mv 6 43 87 131 0 c 87 2.9 0.0 + 4 e 223 80 etot -7.6832E+01 mv 6 43 87 110 0 + 4 e 306 75 etot -7.9948E+01 mv 6 43 87 76 0 + 4 e 738 27 etot -7.7533E+01 mv 6 43 19 67 0 + 4 e 538 55 etot -8.1924E+01 mv 6 43 59 34 0 f 7 390.4 0.2 + 4 e 208 83 etot -8.7538E+01 mv 6 43 94 9 0 + -1 e 1 106 etot 1.3528E+20 mv 6 43 96 118 0 + 4 e 308 85 etot -6.6250E+01 mv 6 43 94 62 0 + 4 e 482 59 etot -8.4558E+01 mv 6 43 59 90 0 + 4 e 347 77 etot -7.9653E+01 mv 6 43 87 79 0 + 4 e 345 81 etot -7.8868E+01 mv 6 43 94 97 0 + 4 e 475 70 etot -7.2251E+01 mv 6 43 79 171 0 + 4 e 265 90 etot -8.4717E+01 mv 6 43 94 47 0 + 4 e 493 72 etot -7.8503E+01 mv 6 43 87 66 0 + 4 e 458 73 etot -7.3309E+01 mv 6 43 87 156 0 + 4 e 263 97 etot -8.4185E+01 mv 6 43 95 171 0 c 95 80.6 0.0 + 4 e 368 76 etot -7.9453E+01 mv 6 43 87 148 0 + 4 e 264 102 etot -8.4422E+01 mv 6 43 96 63 0 + 4 e 536 79 etot -7.7100E+01 mv 6 43 87 76 0 + 4 e 417 92 etot -8.1235E+01 mv 6 43 95 103 0 + 4 e 297 103 etot -8.1781E+01 mv 6 43 96 10 0 + 4 e 492 89 etot -8.4716E+01 mv 6 43 94 49 0 + 4 e 520 88 etot -7.5157E+01 mv 6 43 94 22 0 + 4 e 283 95 etot -8.1815E+01 mv 6 43 95 65 0 + 4 e 319 91 etot -7.7224E+01 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4.0 0.0 + 4 e 300 345 etot -8.3945E+01 mv 1 43 94 -30 0 + 4 e 282 333 etot -8.6249E+01 mv 1 43 79 -173 0 + 4 e 493 327 etot -7.9694E+01 mv 1 43 59 -165 0 + 4 e 229 356 etot -7.0520E+01 mv 1 43 100 -28 0 + 4 e 572 328 etot -8.2898E+01 mv 1 43 59 -10 0 + 4 e 443 343 etot -7.1262E+01 mv 1 43 94 -58 0 + 4 e 508 334 etot -8.5802E+01 mv 1 43 79 -83 0 + 4 e 489 338 etot -7.3377E+01 mv 1 43 87 -17 0 + 4 e 629 326 etot -7.5064E+01 mv 1 43 59 -50 0 + 4 e 308 355 etot -8.2257E+01 mv 1 43 96 -188 0 + 4 e 206 364 etot -6.6388E+01 mv 1 43 117 -14 0 + 4 e 412 350 etot -8.1657E+01 mv 1 43 95 -110 0 + 4 e 441 348 etot -6.9706E+01 mv 1 43 95 -32 0 + 4 e 562 331 etot -6.5205E+01 mv 1 43 79 -19 0 + 4 e 367 351 etot -7.9612E+01 mv 1 43 96 -115 0 + 4 e 352 352 etot -7.1203E+01 mv 1 43 96 -122 0 + 4 e 382 339 etot -7.1148E+01 mv 1 43 87 -63 0 + 4 e 566 336 etot -7.8062E+01 mv 1 43 87 -148 0 + -1 e 1 383 etot 1.3528E+20 mv 1 43 148 -72 0 + 4 e 251 358 etot -7.1719E+01 mv 1 43 100 -91 0 + 4 e 388 353 etot 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etot -8.5937E+01 mv 1 43 122 -188 0 + 4 e 389 376 etot -8.2917E+01 mv 1 43 125 -11 0 + 4 e 195 393 etot -8.1716E+01 mv 1 43 156 -18 0 + 4 e 85 401 etot -8.5500E+01 mv 0 43 3 0 0 c 3 0.5 0.0 + 4 e 87 402 etot -8.6139E+01 mv 0 43 4 0 0 + 4 e 381 367 etot -8.0231E+01 mv 1 43 122 -72 0 + 4 e 386 379 etot -8.3223E+01 mv 1 43 125 -171 0 + 4 e 425 378 etot -7.8879E+01 mv 1 43 125 -193 0 + 4 e 89 404 etot -8.3340E+01 mv 0 43 30 0 0 + 4 e 487 372 etot -8.3682E+01 mv 1 43 124 -31 0 + 4 e 378 389 etot -8.4383E+01 mv 1 43 153 -173 0 + 4 e 291 385 etot -8.6137E+01 mv 1 43 148 -164 0 c 148 149.0 0.3 + 4 e 155 403 etot -8.1827E+01 mv 0 43 19 0 0 + 4 e 353 390 etot -8.4383E+01 mv 1 43 153 -22 0 + 4 e 329 391 etot -7.9786E+01 mv 1 43 156 -76 0 +## N0 total= 16 close= 8 far= 0 %acc 50.0 +## N1 total= 104 close= 4 far= 0 %acc 3.8 +## N2 total= 100 close= 7 far= 0 %acc 7.0 +## N3 total= 0 close= 0 far= 0 %acc 0.0 +## N4 total= 0 close= 0 far= 0 %acc 0.0 +## N5 total= 0 close= 0 far= 0 %acc 0.0 +## N6 total= 200 close= 34 far= 2 %acc 18.0 +## N7 total= 0 close= 0 far= 0 %acc 0.0 +## N8 total= 0 close= 0 far= 0 %acc 0.0 +## N9 total= 0 close= 0 far= 0 %acc 0.0 +##N10 total= 0 close= 0 far= 0 %acc 0.0 +##N11 total= 0 close= 0 far= 0 %acc 0.0 +##N12 total= 0 close= 0 far= 0 %acc 0.0 +##N13 total= 0 close= 0 far= 0 %acc 0.0 +##N14 total= 0 close= 0 far= 0 %acc 0.0 +##N15 total= 0 close= 0 far= 0 %acc 0.0 +##N16 total= 0 close= 0 far= 0 %acc 0.0 +##N17 total= 0 close= 0 far= 0 %acc 0.0 +##N18 total= 0 close= 0 far= 0 %acc 0.0 + Time for refresh 44 0.38 + make_var : nseed= 20 ntry= 420 + Time for make trial 45 0.21 +Nonsetup time 89.96 sec, Eval/s = 64805.28 +Time for iter 45 2.09 sec, Eval/s = 59824.09 + UPDATING 420 + 4 e 335 392 etot -8.1319E+01 mv 1 43 156 -129 0 + 4 e 555 373 etot -8.8024E+01 mv 1 43 124 -149 0 + 4 e 130 420 etot -8.3375E+01 mv 0 43 173 0 0 c 173 3.2 0.0 + 4 e 147 409 etot -8.4718E+01 mv 0 43 94 0 0 c 94 1.5 0.0 + 4 e 107 408 etot -8.2264E+01 mv 0 43 87 0 0 + 4 e 442 386 etot -8.4383E+01 mv 1 43 153 -33 0 + 4 e 314 398 etot -8.2442E+01 mv 1 43 173 -160 0 + 4 e 113 407 etot -8.7074E+01 mv 0 43 79 0 0 c 79 1.8 0.0 + 4 e 499 381 etot -8.6889E+01 mv 1 43 148 -135 0 + -1 e 1 1 etot 1.3528E+20 mv 6 44 4 158 0 + 4 e 498 384 etot -7.5456E+01 mv 1 43 148 -196 0 + 4 e 123 410 etot -8.4155E+01 mv 0 43 95 0 0 + 4 e 227 395 etot -8.0807E+01 mv 1 43 156 -43 0 + 4 e 431 400 etot -7.5587E+01 mv 1 43 173 -103 0 + 4 e 154 413 etot -8.9527E+01 mv 0 43 117 0 0 c 117 1.2 0.0 + -1 e 1 5 etot 1.3528E+20 mv 6 44 4 13 0 + -1 e 1 7 etot 1.3528E+20 mv 6 44 4 74 0 + 4 e 152 412 etot -8.2847E+01 mv 0 43 100 0 0 + 4 e 604 374 etot -6.8466E+01 mv 1 43 124 -81 0 + 4 e 141 406 etot -8.5738E+01 mv 0 43 59 0 0 c 59 1.5 0.0 + 4 e 125 416 etot -8.3383E+01 mv 0 43 125 0 0 + 4 e 87 415 etot -8.8026E+01 mv 0 43 124 0 0 c 124 0.5 0.0 + -1 e 1 15 etot 1.3528E+20 mv 6 44 7 199 0 + 4 e 251 396 etot -8.3374E+01 mv 1 43 173 -147 0 + 4 e 107 414 etot -8.5939E+01 mv 0 43 122 0 0 c 122 1.1 0.0 + 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1 44 96 -89 0 + 4 e 422 338 etot -7.6352E+01 mv 1 44 91 -183 0 + 4 e 456 352 etot -8.4554E+01 mv 1 44 97 -82 0 + 4 e 304 371 etot -8.7567E+01 mv 1 44 152 -106 0 + 4 e 438 358 etot -6.2407E+01 mv 1 44 100 -47 0 + 4 e 201 380 etot -8.5021E+01 mv 1 44 153 -172 0 c 153 66.7 0.5 + 4 e 199 381 etot -8.7723E+01 mv 1 44 167 -161 0 c 167 3.7 0.0 + 4 e 649 342 etot -7.0916E+01 mv 1 44 95 -106 0 + 4 e 191 388 etot -6.6902E+01 mv 1 44 169 -132 0 + 4 e 268 368 etot -8.5095E+01 mv 1 44 148 -180 0 + 4 e 398 356 etot -7.0153E+01 mv 1 44 100 -69 0 + 4 e 212 379 etot -7.2890E+01 mv 1 44 153 -111 0 + 4 e 360 375 etot -8.8949E+01 mv 1 44 152 -124 0 + 4 e 499 366 etot -7.9884E+01 mv 1 44 148 -184 0 + 4 e 235 390 etot -8.2836E+01 mv 1 44 169 -182 0 + 4 e 307 382 etot -7.9870E+01 mv 1 44 167 -71 0 + 4 e 359 376 etot -8.4546E+01 mv 1 44 153 -32 0 + 4 e 338 369 etot -8.5901E+01 mv 1 44 148 -85 0 + 4 e 386 377 etot -6.2777E+01 mv 1 44 153 -188 0 + 4 e 52 405 etot -8.4341E+01 mv 0 44 30 0 0 + 4 e 219 389 etot -8.4212E+01 mv 1 44 169 -27 0 + 4 e 96 401 etot -8.6449E+01 mv 0 44 4 0 0 c 4 1.3 0.0 + 4 e 105 404 etot -8.2198E+01 mv 0 44 19 0 0 c 19 0.5 0.0 + 4 e 402 384 etot -7.8691E+01 mv 1 44 167 -178 0 + 4 e 398 385 etot -8.7721E+01 mv 1 44 167 -181 0 + 4 e 106 402 etot -8.1926E+01 mv 0 44 7 0 0 + 4 e 248 396 etot -8.9200E+01 mv 1 44 8 115 0 + 4 e 101 403 etot -8.3033E+01 mv 0 44 12 0 0 + 4 e 95 410 etot -8.2399E+01 mv 0 44 96 0 0 +## N0 total= 22 close= 10 far= 0 %acc 45.5 +## N1 total= 98 close= 5 far= 0 %acc 5.1 +## N2 total= 100 close= 4 far= 1 %acc 5.0 +## N3 total= 0 close= 0 far= 0 %acc 0.0 +## N4 total= 0 close= 0 far= 0 %acc 0.0 +## N5 total= 0 close= 0 far= 0 %acc 0.0 +## N6 total= 200 close= 27 far= 2 %acc 14.5 +## N7 total= 0 close= 0 far= 0 %acc 0.0 +## N8 total= 0 close= 0 far= 0 %acc 0.0 +## N9 total= 0 close= 0 far= 0 %acc 0.0 +##N10 total= 0 close= 0 far= 0 %acc 0.0 +##N11 total= 0 close= 0 far= 0 %acc 0.0 +##N12 total= 0 close= 0 far= 0 %acc 0.0 +##N13 total= 0 close= 0 far= 0 %acc 0.0 +##N14 total= 0 close= 0 far= 0 %acc 0.0 +##N15 total= 0 close= 0 far= 0 %acc 0.0 +##N16 total= 0 close= 0 far= 0 %acc 0.0 +##N17 total= 0 close= 0 far= 0 %acc 0.0 +##N18 total= 0 close= 0 far= 0 %acc 0.0 + Time for refresh 45 0.43 + make_var : nseed= 20 ntry= 420 + Time for make trial 46 0.07 +Nonsetup time 91.97 sec, Eval/s = 64792.13 +Time for iter 46 2.01 sec, Eval/s = 64203.81 + UPDATING 420 + 4 e 437 400 etot -8.1164E+01 mv 1 44 8 -130 0 + 4 e 375 394 etot -7.7209E+01 mv 1 44 51 -133 0 + 4 e 95 415 etot -8.8950E+01 mv 0 44 152 0 0 c 152 1.4 0.0 + 4 e 147 407 etot -8.2573E+01 mv 0 44 56 0 0 + 4 e 300 398 etot -6.7829E+01 mv 1 44 8 -39 0 + 4 e 13 420 etot -8.9201E+01 mv 0 44 8 0 0 c 8 0.0 0.0 + 4 e 454 387 etot -8.0266E+01 mv 1 44 169 -103 0 + 4 e 140 406 etot -8.3925E+01 mv 0 44 40 0 0 + 4 e 119 416 etot -8.4548E+01 mv 0 44 153 0 0 + 4 e 105 408 etot -8.2814E+01 mv 0 44 91 0 0 + 4 e 577 370 etot -7.2990E+01 mv 1 44 148 -88 0 + 4 e 515 374 etot -8.8947E+01 mv 1 44 152 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1.4 + 4 e 139 409 etot -8.4186E+01 mv 0 44 95 0 0 c 95 1.8 0.0 + 4 e 209 393 etot -7.5122E+01 mv 1 44 51 -65 0 + -1 e 1 26 etot 1.3528E+20 mv 6 45 11 26 0 + 4 e 41 419 etot -8.6595E+01 mv 0 44 51 0 0 c 51 0.1 0.0 + 4 e 10 17 etot -8.7008E+01 mv 6 45 7 90 0 c 90 0.0 0.0 + 4 e 125 30 etot -6.6361E+01 mv 6 45 11 138 0 + 8 e 91 22 etot -6.3996E+01 mv 6 45 11 158 0 + 4 e 178 1 etot -7.3001E+01 mv 6 45 3 35 0 + 4 e 183 20 etot -7.3679E+01 mv 6 45 7 64 0 + 4 e 186 13 etot -8.2313E+01 mv 6 45 7 121 0 + 4 e 200 29 etot -8.3706E+01 mv 6 45 11 84 0 c 11 30.7 0.2 + 4 e 225 19 etot -8.5912E+01 mv 6 45 7 179 0 + 4 e 235 25 etot -8.2727E+01 mv 6 45 11 36 0 + 4 e 225 24 etot -8.2225E+01 mv 6 45 11 164 0 + 4 e 266 7 etot -7.6332E+01 mv 6 45 3 113 0 + 4 e 284 2 etot -6.9402E+01 mv 6 45 3 62 0 + 4 e 264 35 etot -8.2587E+01 mv 6 45 12 115 0 + 4 e 330 4 etot -7.9143E+01 mv 6 45 3 62 0 + 4 e 316 34 etot -6.5553E+01 mv 6 45 12 138 0 + 4 e 311 33 etot -8.3970E+01 mv 6 45 12 4 0 + 4 e 312 11 etot -8.5953E+01 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etot -8.2116E+01 mv 6 45 20 137 0 + 4 e 192 54 etot -7.2225E+01 mv 6 45 40 78 0 + 4 e 538 27 etot -8.2881E+01 mv 6 45 11 69 0 + 4 e 546 3 etot -8.9090E+01 mv 6 45 3 185 0 + 4 e 201 62 etot -8.3160E+01 mv 6 45 56 96 0 c 56 3.4 0.0 + -1 e 1 77 etot 5.4408E+23 mv 6 45 85 142 0 + 4 e 307 55 etot -8.2551E+01 mv 6 45 40 192 0 + 4 e 247 53 etot -8.6607E+01 mv 6 45 40 199 0 + 4 e 350 47 etot -7.3306E+01 mv 6 45 20 53 0 + 4 e 505 40 etot -8.1972E+01 mv 6 45 12 23 0 + 4 e 590 31 etot -8.1367E+01 mv 6 45 12 192 0 + 4 e 525 46 etot -7.9494E+01 mv 6 45 20 42 0 + 4 e 431 41 etot -7.6360E+01 mv 6 45 20 110 0 + 4 e 224 59 etot -8.6607E+01 mv 6 45 40 17 0 + 4 e 163 70 etot -7.5588E+01 mv 6 45 56 79 0 + 4 e 306 50 etot -8.2901E+01 mv 6 45 20 168 0 + 4 e 346 56 etot -6.9159E+01 mv 6 45 40 134 0 + 4 e 662 12 etot -8.5182E+01 mv 6 45 7 52 0 c 52 230.3 0.2 + 4 e 412 57 etot -8.8152E+01 mv 6 45 40 80 0 c 40 188.4 1.5 + 4 e 280 65 etot -8.2811E+01 mv 6 45 56 39 0 + 4 e 320 61 etot -8.1494E+01 mv 6 45 56 119 0 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0 + 4 e 231 83 etot -7.3218E+01 mv 6 45 91 199 0 + 4 e 296 90 etot -8.0364E+01 mv 6 45 91 36 0 + 4 e 267 94 etot -7.2850E+01 mv 6 45 96 64 0 + 4 e 532 63 etot -8.3042E+01 mv 6 45 56 142 0 + 4 e 279 95 etot -8.7568E+01 mv 6 45 96 8 0 + 4 e 391 84 etot -8.0635E+01 mv 6 45 91 182 0 + 4 e 324 91 etot -7.4368E+01 mv 6 45 96 135 0 + 4 e 82 108 etot -8.2497E+01 mv 6 45 107 33 0 c 33 0.4 0.0 + 4 e 486 79 etot -8.5068E+01 mv 6 45 85 106 0 + 4 e 273 98 etot -7.2676E+01 mv 6 45 96 176 0 + 4 e 274 99 etot -8.4093E+01 mv 6 45 96 9 0 c 96 49.7 1.5 + 4 e 221 100 etot -8.5318E+01 mv 6 45 96 21 0 + 4 e 245 101 etot -8.1490E+01 mv 6 45 107 148 0 + 4 e 248 102 etot -8.4789E+01 mv 6 45 107 163 0 + 4 e 265 105 etot -8.4388E+01 mv 6 45 107 53 0 + 4 e 282 103 etot -8.5702E+01 mv 6 45 107 189 0 + 4 e 280 107 etot -8.6122E+01 mv 6 45 107 188 0 + 4 e 512 66 etot -8.4998E+01 mv 6 45 56 39 0 + 4 e 474 93 etot -8.1113E+01 mv 6 45 96 196 0 + 4 e 461 96 etot -8.3545E+01 mv 6 45 96 59 0 + 4 e 274 113 etot -8.3525E+01 mv 6 45 125 98 0 + 4 e 185 123 etot -8.0192E+01 mv 6 45 148 167 0 + 4 e 343 106 etot -8.5146E+01 mv 6 45 107 198 0 + 4 e 248 120 etot -6.1054E+01 mv 6 45 125 29 0 + 4 e 266 119 etot -8.0103E+01 mv 6 45 125 99 0 + 4 e 377 110 etot -7.6857E+01 mv 6 45 107 142 0 + 4 e 316 116 etot -7.8937E+01 mv 6 45 125 29 0 + 4 e 572 92 etot -8.2493E+01 mv 6 45 96 193 0 + 4 e 298 117 etot -8.3523E+01 mv 6 45 125 174 0 + 4 e 304 118 etot -7.1222E+01 mv 6 45 125 135 0 + 4 e 289 121 etot -8.7712E+01 mv 6 45 148 86 0 + 4 e 40 140 etot -8.8832E+01 mv 6 45 149 86 0 c 86 0.1 0.0 + 4 e 283 109 etot -8.6263E+01 mv 6 45 107 46 0 c 107 3.6 0.0 + 4 e 55 139 etot -8.2591E+01 mv 6 45 149 118 0 c 118 0.2 0.0 + 4 e 584 97 etot -7.9513E+01 mv 6 45 96 52 0 + 4 e 316 124 etot -9.1695E+01 mv 6 45 148 83 0 + 4 e 316 126 etot -8.5547E+01 mv 6 45 148 29 0 + 4 e 553 75 etot -7.9234E+01 mv 6 45 85 51 0 + 4 e 313 111 etot -8.3523E+01 mv 6 45 125 52 0 + 4 e 227 136 etot -7.7919E+01 mv 6 45 149 130 0 + 4 e 277 129 etot -8.6137E+01 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6 45 198 82 0 + 4 e 144 180 etot -8.6014E+01 mv 6 45 107 61 0 + 4 e 281 169 etot -7.9238E+01 mv 6 45 198 118 0 + -1 e 1 196 etot 1.3528E+20 mv 6 45 139 2 0 + 4 e 307 168 etot -8.5535E+01 mv 6 45 198 172 0 + 4 e 200 181 etot -6.9085E+01 mv 6 45 24 80 0 + 4 e 324 173 etot -8.6262E+01 mv 6 45 107 39 0 + 4 e 403 161 etot -6.5857E+01 mv 6 45 198 30 0 + 4 e 143 188 etot -6.4768E+01 mv 6 45 24 192 0 + 4 e 139 192 etot -7.7747E+01 mv 6 45 139 145 0 + 4 e 241 182 etot -9.0746E+01 mv 6 45 24 20 0 + 4 e 255 174 etot -8.5895E+01 mv 6 45 107 136 0 + 4 e 299 177 etot -8.6263E+01 mv 6 45 107 186 0 c 107 2.6 0.0 + 4 e 195 185 etot -7.2858E+01 mv 6 45 24 59 0 + 4 e 125 197 etot -7.4416E+01 mv 6 45 139 36 0 + 4 e 332 176 etot -7.8784E+01 mv 6 45 107 74 0 + 4 e 506 156 etot -7.8828E+01 mv 6 45 153 10 0 + 4 e 515 159 etot -8.7602E+01 mv 6 45 153 87 0 + 4 e 440 172 etot -7.4976E+01 mv 6 45 107 43 0 + 4 e 406 175 etot -7.7560E+01 mv 6 45 107 165 0 + 4 e 320 184 etot -6.7894E+01 mv 6 45 24 195 0 + 4 e 582 158 etot -8.1727E+01 mv 6 45 153 61 0 + -1 e 1 214 etot 1.3528E+20 mv 2 45 11 -38 0 + 4 e 251 179 etot -7.8012E+01 mv 6 45 107 23 0 + 4 e 200 189 etot -7.3213E+01 mv 6 45 24 16 0 + 4 e 313 190 etot -8.9324E+01 mv 6 45 24 113 0 + -1 e 1 218 etot 1.3528E+20 mv 2 45 12 -167 0 + 4 e 239 199 etot -7.6700E+01 mv 6 45 139 16 0 + 4 e 322 194 etot -7.5834E+01 mv 6 45 139 24 0 + -1 e 1 222 etot 1.3528E+20 mv 2 45 20 -190 0 + 4 e 312 195 etot -8.5722E+01 mv 6 45 139 192 0 + 4 e 191 211 etot -6.7833E+01 mv 2 45 11 -86 0 + 4 e 188 212 etot -5.6561E+01 mv 2 45 11 -90 0 + 4 e 418 191 etot -7.6115E+01 mv 6 45 139 64 0 + 4 e 187 205 etot -7.4217E+01 mv 2 45 3 -106 0 + -1 e 1 228 etot 1.3528E+20 mv 2 45 40 -180 0 + 4 e 466 171 etot -8.6262E+01 mv 6 45 107 146 0 + 4 e 309 208 etot -6.1390E+01 mv 2 45 7 -87 0 + 4 e 380 200 etot -7.3180E+01 mv 6 45 139 142 0 + 4 e 323 206 etot -8.2722E+01 mv 2 45 7 -132 0 + 4 e 346 207 etot -7.0623E+01 mv 2 45 7 -153 0 + -1 e 1 234 etot 1.3528E+20 mv 2 45 56 -63 0 + 4 e 664 147 etot -7.8728E+01 mv 6 45 151 106 0 + 4 e 366 203 etot -7.8003E+01 mv 2 45 3 -137 0 + -1 e 1 237 etot 3.6287E+22 mv 2 45 85 -88 0 + 4 e 354 204 etot -8.8982E+01 mv 2 45 3 -185 0 + 4 e 188 221 etot -8.2772E+01 mv 2 45 20 -2 0 + 4 e 411 202 etot -7.8150E+01 mv 2 45 3 -131 0 + 4 e 498 198 etot -7.8755E+01 mv 6 45 139 6 0 + 4 e 163 226 etot -8.6608E+01 mv 2 45 40 -102 0 + 4 e 227 224 etot -5.5693E+01 mv 2 45 20 -117 0 + 4 e 558 193 etot -8.8358E+01 mv 6 45 139 108 0 + 4 e 578 153 etot -7.8533E+01 mv 6 45 153 52 0 + 4 e 309 216 etot -8.4059E+01 mv 2 45 12 -49 0 + -1 e 1 247 etot 3.3784E+20 mv 2 45 96 -143 0 + 4 e 633 187 etot -9.0745E+01 mv 6 45 24 129 0 + 4 e 475 183 etot -7.7168E+01 mv 6 45 24 182 0 + 4 e 491 210 etot -7.8186E+01 mv 2 45 7 -15 0 + 4 e 169 230 etot -8.6608E+01 mv 2 45 40 -48 0 + 4 e 588 201 etot -7.9774E+01 mv 2 45 3 -80 0 + 4 e 404 219 etot -7.7612E+01 mv 2 45 12 -87 0 + 4 e 520 209 etot -6.8286E+01 mv 2 45 7 -165 0 + 4 e 259 231 etot -7.9853E+01 mv 2 45 56 -12 0 + 4 e 239 233 etot -8.2721E+01 mv 2 45 56 -175 0 + 4 e 278 220 etot -8.4950E+01 mv 2 45 12 -195 0 + 4 e 481 215 etot -7.5061E+01 mv 2 45 11 -165 0 + 4 e 421 223 etot -7.6685E+01 mv 2 45 20 -84 0 + 4 e 561 213 etot -8.2733E+01 mv 2 45 11 -154 0 + 4 e 636 178 etot -8.9542E+01 mv 6 45 107 122 0 c 117 100.4 0.0 + 4 e 298 235 etot -8.3748E+01 mv 2 45 56 -88 0 c 56 237.6 0.6 + 4 e 252 229 etot -8.5200E+01 mv 2 45 40 -137 0 + 4 e 279 240 etot -8.3867E+01 mv 2 45 85 -198 0 + 4 e 249 245 etot -8.0872E+01 mv 2 45 91 -128 0 + 4 e 321 238 etot -8.3246E+01 mv 2 45 85 -93 0 + 4 e 439 227 etot -7.4614E+01 mv 2 45 40 -62 0 + 4 e 256 236 etot -6.8431E+01 mv 2 45 85 -61 0 + 4 e 163 257 etot -6.6374E+01 mv 2 45 125 -199 0 + 4 e 532 225 etot -7.5055E+01 mv 2 45 20 -196 0 + 4 e 430 232 etot -7.3884E+01 mv 2 45 56 -112 0 + 4 e 212 253 etot -7.5323E+01 mv 2 45 107 -53 0 + 4 e 391 239 etot -7.8001E+01 mv 2 45 85 -29 0 + 4 e 243 251 etot -8.6263E+01 mv 2 45 107 -121 0 + 4 e 208 250 etot -7.1605E+01 mv 2 45 96 -195 0 + 4 e 421 244 etot -6.5923E+01 mv 2 45 91 -115 0 + 4 e 241 259 etot -6.8602E+01 mv 2 45 125 -108 0 + 4 e 434 241 etot -8.2944E+01 mv 2 45 91 -156 0 + -1 e 1 278 etot 1.3528E+20 mv 2 45 153 -123 0 + -1 e 1 280 etot 1.3528E+20 mv 2 45 153 -107 0 + 4 e 197 261 etot -8.6284E+01 mv 2 45 148 -2 0 + -1 e 1 282 etot 1.3528E+20 mv 2 45 198 -21 0 + 4 e 414 248 etot -7.4002E+01 mv 2 45 96 -165 0 + 4 e 203 265 etot -8.6284E+01 mv 2 45 148 -134 0 + 4 e 382 254 etot -7.9028E+01 mv 2 45 107 -50 0 + 4 e 544 217 etot -7.2697E+01 mv 2 45 12 -76 0 + 4 e 514 242 etot -5.4096E+01 mv 2 45 91 -45 0 + 4 e 208 274 etot -6.1786E+01 mv 2 45 151 -39 0 + -1 e 1 289 etot 1.3528E+20 mv 2 45 107 -149 0 + 4 e 523 249 etot -7.9843E+01 mv 2 45 96 -12 0 + 4 e 196 269 etot -8.5487E+01 mv 2 45 149 -164 0 c 149 1.4 0.0 + -1 e 1 292 etot 1.3528E+20 mv 2 45 24 -189 0 + 4 e 477 255 etot -8.6261E+01 mv 2 45 107 -31 0 + 4 e 622 243 etot -7.5482E+01 mv 2 45 91 -168 0 + 4 e 294 270 etot -8.5620E+01 mv 2 45 149 -176 0 c 116 290.2 1.1 + 4 e 354 268 etot -8.1002E+01 mv 2 45 149 -194 0 + 4 e 305 262 etot -6.2820E+01 mv 2 45 148 -197 0 + 4 e 316 273 etot -8.0231E+01 mv 2 45 151 -175 0 + 4 e 277 277 etot -7.0870E+01 mv 2 45 153 -103 0 + 4 e 536 256 etot -8.3354E+01 mv 2 45 125 -2 0 + 4 e 275 284 etot -5.3415E+01 mv 2 45 198 -179 0 + 4 e 360 271 etot -8.3183E+01 mv 2 45 151 -79 0 + 4 e 218 276 etot -8.5021E+01 mv 2 45 153 -134 0 + 4 e 392 272 etot -7.0942E+01 mv 2 45 151 -37 0 + 4 e 487 266 etot -8.5133E+01 mv 2 45 149 -157 0 + -1 e 1 306 etot 1.3528E+20 mv 1 45 7 -82 0 + 4 e 250 286 etot -8.6263E+01 mv 2 45 107 70 0 c 107 0.8 0.0 + 4 e 503 267 etot -7.9329E+01 mv 2 45 149 -11 0 + 4 e 423 258 etot -6.2411E+01 mv 2 45 125 -158 0 + 4 e 382 281 etot -8.5578E+01 mv 2 45 198 -49 0 + 4 e 551 246 etot -7.8155E+01 mv 2 45 96 -64 0 + 4 e 476 252 etot -5.7249E+01 mv 2 45 107 -179 0 + 4 e 264 290 etot -8.5174E+01 mv 2 45 107 -44 0 + 4 e 404 264 etot -6.2442E+01 mv 2 45 148 -135 0 + 4 e 205 296 etot -8.6904E+01 mv 2 45 139 -138 0 + 4 e 678 260 etot -8.1394E+01 mv 2 45 125 -42 0 + 4 e 452 279 etot -7.7776E+01 mv 2 45 153 -185 0 + 4 e 486 283 etot -7.0851E+01 mv 2 45 198 -79 0 + 4 e 350 291 etot -7.7078E+01 mv 2 45 24 -118 0 + 4 e 451 285 etot -8.0189E+01 mv 2 45 198 -144 0 + 4 e 687 263 etot -7.7547E+01 mv 2 45 148 -68 0 + 4 e 334 294 etot -7.8822E+01 mv 2 45 24 173 0 + 4 e 618 275 etot -7.1076E+01 mv 2 45 151 -198 0 + 4 e 214 309 etot -6.6282E+01 mv 1 45 7 -175 0 + 4 e 277 293 etot -7.8902E+01 mv 2 45 24 29 0 + 4 e 388 297 etot -7.4082E+01 mv 2 45 139 -43 0 + 4 e 271 308 etot -8.4876E+01 mv 1 45 7 -170 0 + 4 e 171 310 etot -8.2934E+01 mv 1 45 7 -111 0 c 7 2.5 0.0 + -1 e 1 329 etot 1.3528E+20 mv 1 45 40 -131 0 + 4 e 271 311 etot -8.3706E+01 mv 1 45 11 -117 0 + 4 e 312 305 etot -8.9092E+01 mv 1 45 3 -26 0 + 4 e 390 300 etot -7.6115E+01 mv 2 45 139 23 0 + 4 e 188 315 etot -8.3538E+01 mv 1 45 11 -53 0 + 4 e 446 301 etot -7.5700E+01 mv 1 45 3 -96 0 + -1 e 1 335 etot 1.3528E+20 mv 1 45 56 -32 0 + 4 e 458 299 etot -8.0151E+01 mv 2 45 139 193 0 + 4 e 439 287 etot -8.1537E+01 mv 2 45 107 -112 0 + 4 e 295 318 etot -8.4571E+01 mv 1 45 12 -68 0 + 4 e 572 295 etot -7.5197E+01 mv 2 45 24 -40 0 + -1 e 1 340 etot 1.3528E+20 mv 1 45 85 -191 0 + 4 e 360 316 etot -8.4660E+01 mv 1 45 12 -100 0 + 4 e 289 319 etot -8.3514E+01 mv 1 45 12 -183 0 + 4 e 207 325 etot -8.2446E+01 mv 1 45 20 -29 0 + 4 e 452 307 etot -7.7155E+01 mv 1 45 7 -104 0 + -1 e 1 345 etot 1.3528E+20 mv 1 45 91 -122 0 + 4 e 312 320 etot -7.4957E+01 mv 1 45 12 -147 0 + 4 e 426 314 etot -7.1405E+01 mv 1 45 11 -37 0 + 4 e 373 317 etot -8.4949E+01 mv 1 45 12 -125 0 + 4 e 722 288 etot -7.1219E+01 mv 2 45 107 -74 0 + 4 e 279 324 etot -7.3786E+01 mv 1 45 20 -176 0 + 4 e 423 298 etot -8.5034E+01 mv 2 45 139 -185 0 + 4 e 371 304 etot -7.9978E+01 mv 1 45 3 -125 0 + 4 e 608 302 etot -7.2622E+01 mv 1 45 3 -124 0 + -1 e 1 354 etot 1.3528E+20 mv 1 45 107 -185 0 + -1 e 1 355 etot 1.3528E+20 mv 1 45 107 -120 0 + 4 e 381 322 etot -7.4943E+01 mv 1 45 20 -83 0 + -1 e 1 357 etot 3.9348E+26 mv 1 45 125 -133 0 + -1 e 1 358 etot 1.3528E+20 mv 1 45 125 -101 0 + 4 e 124 343 etot -6.6969E+01 mv 1 45 91 -143 0 + 4 e 410 323 etot -6.8171E+01 mv 1 45 20 -59 0 + 4 e 271 331 etot -7.7690E+01 mv 1 45 56 -180 0 + 4 e 373 313 etot -8.3537E+01 mv 1 45 11 -31 0 + 4 e 650 303 etot -8.7000E+01 mv 1 45 3 -132 0 + 4 e 328 333 etot -7.0757E+01 mv 1 45 56 -49 0 + 4 e 415 327 etot -7.0855E+01 mv 1 45 40 -43 0 + 4 e 315 336 etot -7.3729E+01 mv 1 45 85 -128 0 + 4 e 237 344 etot -8.2619E+01 mv 1 45 91 -35 0 + 4 e 552 321 etot -8.1135E+01 mv 1 45 20 -11 0 + 4 e 165 360 etot -7.8612E+01 mv 1 45 125 -63 0 + 4 e 234 351 etot -8.6263E+01 mv 1 45 107 -11 0 c 107 1.7 0.0 + 4 e 475 328 etot -7.7558E+01 mv 1 45 40 -172 0 + 4 e 311 330 etot -8.7647E+01 mv 1 45 40 -147 0 + 4 e 204 361 etot -8.4930E+01 mv 1 45 148 -75 0 + 4 e 279 350 etot -8.1766E+01 mv 1 45 96 -21 0 + 4 e 270 359 etot -8.2495E+01 mv 1 45 125 -8 0 + 4 e 293 356 etot -7.4645E+01 mv 1 45 125 -183 0 + 4 e 308 338 etot -7.2719E+01 mv 1 45 85 -62 0 + 4 e 552 312 etot -6.2293E+01 mv 1 45 11 -84 0 + 4 e 173 367 etot -7.0624E+01 mv 1 45 149 -129 0 + 8 e 65 375 etot -6.3990E+01 mv 1 45 151 -158 0 + 4 e 430 326 etot -7.3500E+01 mv 1 45 40 -195 0 + 4 e 183 366 etot -8.5487E+01 mv 1 45 149 -113 0 + 4 e 461 339 etot -7.6804E+01 mv 1 45 85 -48 0 + 4 e 582 332 etot -7.4515E+01 mv 1 45 56 -60 0 + 4 e 311 362 etot -8.2171E+01 mv 1 45 148 -139 0 + 4 e 385 334 etot -8.1700E+01 mv 1 45 56 -132 0 + 4 e 156 372 etot -6.0816E+01 mv 1 45 151 -126 0 + 4 e 499 341 etot -7.7601E+01 mv 1 45 91 -169 0 + 4 e 567 337 etot -5.2221E+01 mv 1 45 85 -87 0 + 4 e 465 348 etot -8.0295E+01 mv 1 45 96 -137 0 + 4 e 358 365 etot -7.4364E+01 mv 1 45 148 -48 0 + 4 e 576 342 etot -8.2943E+01 mv 1 45 91 -163 0 + 4 e 285 371 etot -7.4708E+01 mv 1 45 151 -159 0 + 4 e 573 346 etot -6.7782E+01 mv 1 45 96 -81 0 + 4 e 180 380 etot -8.4749E+01 mv 1 45 153 -82 0 + 4 e 314 370 etot -8.5486E+01 mv 1 45 149 -118 0 + 4 e 426 364 etot -8.3910E+01 mv 1 45 148 -139 0 + 4 e 574 349 etot -6.0291E+01 mv 1 45 96 -200 0 + 4 e 358 353 etot -8.6127E+01 mv 1 45 107 -124 0 + -1 e 1 400 etot 1.3528E+20 mv 1 45 139 -126 0 + 4 e 632 347 etot -6.7712E+01 mv 1 45 96 -199 0 + 4 e 189 388 etot -8.6263E+01 mv 1 45 107 86 0 c 107 1.6 0.0 + 4 e 242 381 etot -8.4785E+01 mv 1 45 198 -185 0 + 4 e 311 376 etot -8.3250E+01 mv 1 45 153 -14 0 + 4 e 61 401 etot -8.8983E+01 mv 0 45 3 0 0 + 4 e 272 373 etot -8.2545E+01 mv 1 45 151 -30 0 + 4 e 364 377 etot -7.3337E+01 mv 1 45 153 -157 0 + 4 e 189 393 etot -9.0747E+01 mv 1 45 24 -94 0 + 4 e 99 403 etot -8.3538E+01 mv 0 45 11 0 0 + 4 e 99 404 etot -8.4951E+01 mv 0 45 12 0 0 c 12 0.5 0.0 + 4 e 550 368 etot -7.1432E+01 mv 1 45 149 -73 0 + 4 e 141 402 etot -8.2934E+01 mv 0 45 7 0 0 c 7 0.7 0.0 + 4 e 391 383 etot -6.2677E+01 mv 1 45 198 -72 0 + 4 e 300 390 etot -8.5178E+01 mv 1 45 107 -115 0 + 4 e 435 363 etot -8.6260E+01 mv 1 45 148 -166 0 + 4 e 209 395 etot -9.0746E+01 mv 1 45 24 -194 0 + 4 e 260 392 etot -9.0746E+01 mv 1 45 24 -121 0 + 4 e 82 406 etot -8.6608E+01 mv 0 45 40 0 0 + 4 e 394 384 etot -7.9609E+01 mv 1 45 198 -92 0 +## N0 total= 19 close= 10 far= 0 %acc 52.6 +## N1 total= 101 close= 6 far= 0 %acc 5.9 +## N2 total= 100 close= 4 far= 0 %acc 4.0 +## N3 total= 0 close= 0 far= 0 %acc 0.0 +## N4 total= 0 close= 0 far= 0 %acc 0.0 +## N5 total= 0 close= 0 far= 0 %acc 0.0 +## N6 total= 200 close= 26 far= 0 %acc 13.0 +## N7 total= 0 close= 0 far= 0 %acc 0.0 +## N8 total= 0 close= 0 far= 0 %acc 0.0 +## N9 total= 0 close= 0 far= 0 %acc 0.0 +##N10 total= 0 close= 0 far= 0 %acc 0.0 +##N11 total= 0 close= 0 far= 0 %acc 0.0 +##N12 total= 0 close= 0 far= 0 %acc 0.0 +##N13 total= 0 close= 0 far= 0 %acc 0.0 +##N14 total= 0 close= 0 far= 0 %acc 0.0 +##N15 total= 0 close= 0 far= 0 %acc 0.0 +##N16 total= 0 close= 0 far= 0 %acc 0.0 +##N17 total= 0 close= 0 far= 0 %acc 0.0 +##N18 total= 0 close= 0 far= 0 %acc 0.0 + Time for refresh 46 0.49 + make_var : nseed= 20 ntry= 420 + Time for make trial 47 0.09 +Nonsetup time 94.08 sec, Eval/s = 64716.14 +Time for iter 47 2.11 sec, Eval/s = 61409.24 + UPDATING 420 + 4 e 73 420 etot -8.8359E+01 mv 0 45 139 0 0 c 139 0.1 0.0 + 4 e 310 391 etot -7.8390E+01 mv 1 45 24 139 0 + 4 e 161 408 etot -8.5070E+01 mv 0 45 85 0 0 c 85 2.5 0.0 + 4 e 408 385 etot -7.6868E+01 mv 1 45 198 -83 0 + 4 e 80 417 etot -8.5580E+01 mv 0 45 198 0 0 c 198 0.5 0.0 + 4 e 101 409 etot -8.2945E+01 mv 0 45 91 0 0 c 91 1.7 0.0 + 4 e 421 389 etot -8.5859E+01 mv 1 45 107 -178 0 + 4 e 95 414 etot -8.5487E+01 mv 0 45 149 0 0 c 149 0.9 0.0 + 4 e 381 386 etot -8.6133E+01 mv 1 45 107 93 0 c 30 281.4 1.8 + 4 e 316 397 etot -8.8358E+01 mv 1 45 139 59 0 + 4 e 145 405 etot -8.2773E+01 mv 0 45 20 0 0 + 4 e 531 374 etot -7.3244E+01 mv 1 45 151 -128 0 + 4 e 300 398 etot -8.5664E+01 mv 1 45 139 -78 0 + 4 e 358 396 etot -8.2902E+01 mv 1 45 139 -35 0 c 189 234.7 0.2 + 4 e 104 415 etot -8.3184E+01 mv 0 45 151 0 0 c 151 1.0 0.0 + 4 e 691 369 etot -7.3306E+01 mv 1 45 149 -90 0 + 4 e 101 411 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-8.5525E+01 mv 1 46 116 -33 0 + 4 e 316 341 etot -8.4093E+01 mv 1 46 96 -44 0 + 4 e 502 330 etot -7.7932E+01 mv 1 46 52 -146 0 + 4 e 385 326 etot -7.4298E+01 mv 1 46 52 -133 0 + 4 e 177 356 etot -8.7147E+01 mv 1 46 148 -27 0 + 4 e 413 338 etot -8.0655E+01 mv 1 46 59 -53 0 + 4 e 226 354 etot -6.6808E+01 mv 1 46 117 -198 0 + 4 e 357 344 etot -6.3568E+01 mv 1 46 96 -143 0 + 4 e 348 346 etot -8.4876E+01 mv 1 46 116 -168 0 + 4 e 397 342 etot -7.1857E+01 mv 1 46 96 -92 0 + 4 e 529 335 etot -7.3035E+01 mv 1 46 56 -10 0 + 4 e 457 340 etot -7.5557E+01 mv 1 46 59 -159 0 + 4 e 382 347 etot -6.6583E+01 mv 1 46 116 -104 0 + 4 e 319 351 etot -6.6854E+01 mv 1 46 117 -76 0 + 4 e 202 355 etot -8.9546E+01 mv 1 46 117 -132 0 c 117 2.1 0.0 + 4 e 587 332 etot -7.4922E+01 mv 1 46 56 -60 0 + 4 e 351 352 etot -7.8459E+01 mv 1 46 117 -100 0 + 4 e 421 333 etot -5.1927E+01 mv 1 46 56 -114 0 + 4 e 532 339 etot -8.9684E+01 mv 1 46 59 -163 0 + 4 e 320 350 etot -8.7389E+01 mv 1 46 116 -148 0 + 4 e 342 359 etot -8.1711E+01 mv 1 46 148 -42 0 + 4 e 212 366 etot -8.8445E+01 mv 1 46 161 -123 0 c 161 1.7 0.0 + 4 e 640 337 etot -7.3528E+01 mv 1 46 59 -177 0 + 4 e 527 348 etot -8.3423E+01 mv 1 46 116 -108 0 + 4 e 152 379 etot -8.9201E+01 mv 1 46 8 186 0 + 4 e 262 369 etot -6.7262E+01 mv 1 46 161 -1 0 + 4 e 420 343 etot -8.3011E+01 mv 1 46 96 -95 0 + 4 e 474 358 etot -8.5823E+01 mv 1 46 148 -112 0 + 4 e 151 380 etot -8.9201E+01 mv 1 46 8 54 0 + 4 e 191 377 etot -8.8903E+01 mv 1 46 8 188 0 + -1 e 1 393 etot 1.3528E+20 mv 1 46 124 32 0 + 4 e 225 374 etot -8.3062E+01 mv 1 46 65 -168 0 + 4 e 301 371 etot -7.9211E+01 mv 1 46 65 128 0 + 4 e 364 364 etot -8.5163E+01 mv 1 46 153 -60 0 + 4 e 385 363 etot -7.3368E+01 mv 1 46 153 -131 0 + 4 e 379 365 etot -8.4166E+01 mv 1 46 153 -28 0 + 4 e 347 360 etot -8.7146E+01 mv 1 46 148 -52 0 + 4 e 226 385 etot -7.5359E+01 mv 1 46 139 145 0 + 4 e 264 382 etot -7.4084E+01 mv 1 46 139 110 0 + 4 e 352 375 etot -8.4732E+01 mv 1 46 65 -64 0 c 65 30.9 0.1 + 4 e 249 384 etot -8.8359E+01 mv 1 46 139 57 0 + 4 e 470 368 etot -7.6148E+01 mv 1 46 161 -173 0 + 4 e 258 386 etot -8.8115E+01 mv 1 46 1 85 0 + 4 e 426 373 etot -8.4602E+01 mv 1 46 65 89 0 + 4 e 206 388 etot -8.8115E+01 mv 1 46 1 12 0 + 4 e 204 383 etot -8.8359E+01 mv 1 46 139 -59 0 + 4 e 699 353 etot -8.7674E+01 mv 1 46 117 -187 0 + 4 e 148 398 etot -8.7179E+01 mv 1 46 36 124 0 + 4 e 244 381 etot -8.8359E+01 mv 1 46 139 33 0 + 4 e 642 361 etot -8.5610E+01 mv 1 46 153 -179 0 + 4 e 476 372 etot -8.0146E+01 mv 1 46 65 134 0 + 4 e 183 397 etot -8.7772E+01 mv 1 46 36 -140 0 c 36 26.3 0.4 + 4 e 246 391 etot -8.7756E+01 mv 1 46 124 9 0 + 4 e 106 403 etot -8.4657E+01 mv 0 46 20 0 0 + 4 e 120 402 etot -8.3706E+01 mv 0 46 11 0 0 c 11 1.6 0.0 + 4 e 12 416 etot -8.9201E+01 mv 0 46 8 0 0 c 8 0.0 0.0 + 4 e 201 396 etot -8.7421E+01 mv 1 46 36 3 0 +## N0 total= 18 close= 11 far= 0 %acc 61.1 +## N1 total= 102 close= 8 far= 0 %acc 7.8 +## N2 total= 100 close= 7 far= 0 %acc 7.0 +## N3 total= 0 close= 0 far= 0 %acc 0.0 +## N4 total= 0 close= 0 far= 0 %acc 0.0 +## N5 total= 0 close= 0 far= 0 %acc 0.0 +## N6 total= 200 close= 23 far= 2 %acc 12.5 +## N7 total= 0 close= 0 far= 0 %acc 0.0 +## N8 total= 0 close= 0 far= 0 %acc 0.0 +## N9 total= 0 close= 0 far= 0 %acc 0.0 +##N10 total= 0 close= 0 far= 0 %acc 0.0 +##N11 total= 0 close= 0 far= 0 %acc 0.0 +##N12 total= 0 close= 0 far= 0 %acc 0.0 +##N13 total= 0 close= 0 far= 0 %acc 0.0 +##N14 total= 0 close= 0 far= 0 %acc 0.0 +##N15 total= 0 close= 0 far= 0 %acc 0.0 +##N16 total= 0 close= 0 far= 0 %acc 0.0 +##N17 total= 0 close= 0 far= 0 %acc 0.0 +##N18 total= 0 close= 0 far= 0 %acc 0.0 + Time for refresh 47 0.30 + make_var : nseed= 20 ntry= 420 + Time for make trial 48 0.04 +Nonsetup time 95.83 sec, Eval/s = 64752.92 +Time for iter 48 1.75 sec, Eval/s = 66734.68 + UPDATING 420 + 4 e 358 394 etot -8.0028E+01 mv 1 46 124 126 0 + 4 e 154 404 etot -8.6149E+01 mv 0 46 28 0 0 c 28 1.8 0.0 + 4 e 589 370 etot -8.2792E+01 mv 1 46 161 -10 0 + 4 e 489 376 etot -8.9199E+01 mv 1 46 8 192 0 + 4 e 171 411 etot -8.9547E+01 mv 0 46 117 0 0 c 117 0.7 0.0 + 4 e 696 395 etot -8.8023E+01 mv 1 46 124 -31 0 + 4 e 80 414 etot -8.8445E+01 mv 0 46 161 0 0 c 161 1.0 0.0 + 4 e 184 406 etot -8.5189E+01 mv 0 46 52 0 0 + 4 e 133 401 etot -9.0297E+01 mv 0 46 3 0 0 + 4 e 324 399 etot -8.7420E+01 mv 1 46 36 123 0 + 4 e 78 415 etot -8.4603E+01 mv 0 46 65 0 0 + 4 e 136 407 etot -8.3749E+01 mv 0 46 56 0 0 c 56 0.7 0.0 + 4 e 109 405 etot -8.8154E+01 mv 0 46 40 0 0 c 40 2.5 0.0 + 4 e 73 417 etot -8.8359E+01 mv 0 46 139 0 0 + 4 e 21 418 etot -8.8115E+01 mv 0 46 1 0 0 c 1 0.0 0.0 + 4 e 55 420 etot -8.7421E+01 mv 0 46 36 0 0 + 4 e 94 408 etot -8.7121E+01 mv 0 46 59 0 0 c 59 2.3 0.0 + 4 e 94 410 etot -8.5621E+01 mv 0 46 116 0 0 + 4 e 461 389 etot -8.2463E+01 mv 1 46 1 -138 0 + -1 e 1 13 etot 1.3528E+20 mv 6 47 20 158 0 + 4 e 157 413 etot -8.5164E+01 mv 0 46 153 0 0 c 153 1.9 0.0 + 4 e 20 419 etot -8.8026E+01 mv 0 46 124 0 0 c 124 0.0 0.0 + 4 e 321 387 etot -7.1498E+01 mv 1 46 1 64 0 + 4 e 292 392 etot -8.8025E+01 mv 1 46 124 191 0 + 4 e 518 357 etot -8.7238E+01 mv 1 46 148 -78 0 c 148 72.3 0.1 + -1 e 1 15 etot 1.3528E+20 mv 6 47 20 178 0 + 4 e 119 412 etot -8.7147E+01 mv 0 46 148 0 0 + 4 e 536 362 etot -7.0146E+01 mv 1 46 153 -31 0 + 4 e 218 390 etot -8.8115E+01 mv 1 46 1 -94 0 + 4 e 421 367 etot -7.9222E+01 mv 1 46 161 -13 0 + 4 e 118 409 etot -8.4094E+01 mv 0 46 96 0 0 + 4 e 176 400 etot -8.7421E+01 mv 1 46 36 -150 0 + 4 e 370 378 etot -8.8068E+01 mv 1 46 8 -6 0 + 4 e 17 25 etot -8.4291E+01 mv 6 47 29 178 0 c 178 0.0 0.0 + 4 e 156 3 etot -8.3746E+01 mv 6 47 3 94 0 + 4 e 183 26 etot -8.4530E+01 mv 6 47 29 42 0 c 29 3.7 0.0 + 4 e 192 1 etot -9.0455E+01 mv 6 47 3 56 0 + 4 e 188 14 etot -8.3842E+01 mv 6 47 20 13 0 + 4 e 237 6 etot -9.0745E+01 mv 6 47 3 34 0 c 3 2.9 0.0 + 4 e 261 30 etot -7.0103E+01 mv 6 47 29 70 0 + 4 e 276 4 etot -9.0217E+01 mv 6 47 3 182 0 + 4 e 286 33 etot -8.6134E+01 mv 6 47 30 76 0 c 30 3.6 0.0 + 4 e 293 19 etot -7.5138E+01 mv 6 47 20 192 0 + -1 e 1 43 etot 1.3528E+20 mv 6 47 36 94 0 + 4 e 296 16 etot -7.7763E+01 mv 6 47 20 102 0 + 4 e 302 18 etot -6.9070E+01 mv 6 47 20 82 0 + 4 e 319 23 etot -7.8662E+01 mv 6 47 29 191 0 + -1 e 1 47 etot 1.3528E+20 mv 6 47 36 64 0 + 4 e 320 32 etot -7.5521E+01 mv 6 47 30 94 0 + 4 e 275 24 etot -8.3576E+01 mv 6 47 29 92 0 + 4 e 332 27 etot -7.9773E+01 mv 6 47 29 129 0 + 4 e 338 31 etot -8.6133E+01 mv 6 47 30 71 0 + 4 e 338 8 etot -7.7838E+01 mv 6 47 3 159 0 + 4 e 329 21 etot -7.8078E+01 mv 6 47 29 181 0 + 4 e 347 28 etot -8.4529E+01 mv 6 47 29 57 0 + 4 e 350 10 etot -8.4754E+01 mv 6 47 3 129 0 c 129 170.0 0.1 + 4 e 332 22 etot -7.4212E+01 mv 6 47 29 151 0 + 4 e 130 41 etot -6.3272E+01 mv 6 47 36 138 0 + 4 e 418 7 etot -8.0704E+01 mv 6 47 3 47 0 + 4 e 210 35 etot -8.3613E+01 mv 6 47 30 121 0 + 4 e 374 12 etot -7.7715E+01 mv 6 47 20 142 0 + 4 e 191 39 etot -8.4522E+01 mv 6 47 30 104 0 + -1 e 1 62 etot 1.3528E+20 mv 6 47 65 82 0 + 4 e 455 5 etot -8.1939E+01 mv 6 47 3 120 0 + -1 e 1 64 etot 1.3528E+20 mv 6 47 65 163 0 + 4 e 230 36 etot -7.5925E+01 mv 6 47 30 164 0 + 4 e 193 45 etot -8.7381E+01 mv 6 47 36 41 0 + 4 e 462 34 etot -8.0942E+01 mv 6 47 30 153 0 + 4 e 231 40 etot -8.5615E+01 mv 6 47 30 113 0 + 4 e 486 20 etot -7.8486E+01 mv 6 47 20 17 0 + 4 e 311 37 etot -8.7722E+01 mv 6 47 30 167 0 + 4 e 276 46 etot -7.2281E+01 mv 6 47 36 107 0 + 4 e 328 38 etot -8.0086E+01 mv 6 47 30 40 0 + -1 e 1 72 etot 1.3528E+20 mv 6 47 85 3 0 + 4 e 192 54 etot -6.2904E+01 mv 6 47 52 198 0 + -1 e 1 75 etot 1.3528E+20 mv 6 47 85 128 0 + 4 e 208 50 etot -8.4104E+01 mv 6 47 36 21 0 + 4 e 243 49 etot -8.7771E+01 mv 6 47 36 35 0 + 4 e 558 29 etot -8.0711E+01 mv 6 47 29 19 0 + 4 e 229 53 etot -8.4642E+01 mv 6 47 52 196 0 + 4 e 657 17 etot -7.9996E+01 mv 6 47 20 124 0 + 4 e 584 2 etot -7.4800E+01 mv 6 47 3 54 0 + 4 e 309 42 etot -7.3535E+01 mv 6 47 36 191 0 + 4 e 580 9 etot -8.1695E+01 mv 6 47 3 166 0 + 4 e 230 56 etot -8.6085E+01 mv 6 47 52 149 0 c 52 3.0 0.0 + 4 e 327 59 etot -8.4507E+01 mv 6 47 52 114 0 + 4 e 593 11 etot -8.9323E+01 mv 6 47 20 178 0 + 4 e 358 58 etot -8.5973E+01 mv 6 47 52 79 0 + 4 e 216 61 etot -8.4732E+01 mv 6 47 65 122 0 c 65 1.5 0.0 + 4 e 215 67 etot -8.4139E+01 mv 6 47 65 44 0 + -1 e 1 90 etot 1.3528E+20 mv 6 47 96 59 0 + 4 e 422 44 etot -8.1886E+01 mv 6 47 36 93 0 + 4 e 370 65 etot -7.3891E+01 mv 6 47 65 39 0 + 4 e 341 57 etot -8.0769E+01 mv 6 47 52 172 0 + 4 e 205 70 etot -8.4367E+01 mv 6 47 65 179 0 + 4 e 381 48 etot -8.1402E+01 mv 6 47 36 161 0 + 4 e 332 51 etot -8.6085E+01 mv 6 47 52 71 0 + 4 e 192 73 etot -7.9822E+01 mv 6 47 85 118 0 + -1 e 1 96 etot 1.3528E+20 mv 6 47 116 118 0 + 4 e 300 66 etot -7.7571E+01 mv 6 47 65 23 0 + 4 e 366 52 etot -8.6084E+01 mv 6 47 52 186 0 + 4 e 419 60 etot -6.8764E+01 mv 6 47 52 170 0 + 4 e 210 77 etot -8.5214E+01 mv 6 47 85 96 0 c 85 3.0 0.0 + 4 e 259 81 etot -8.5905E+01 mv 6 47 96 182 0 + 4 e 382 55 etot -6.9843E+01 mv 6 47 52 49 0 + 4 e 213 88 etot -7.8669E+01 mv 6 47 96 161 0 + -1 e 1 105 etot 1.3528E+20 mv 6 47 133 191 0 + 4 e 336 74 etot -8.8109E+01 mv 6 47 85 132 0 + 4 e 537 63 etot -8.4077E+01 mv 6 47 65 177 0 + -1 e 1 109 etot 1.3528E+20 mv 6 47 133 155 0 + 4 e 19 110 etot -8.2825E+01 mv 6 47 133 81 0 c 81 0.0 0.0 + 4 e 202 84 etot -8.5930E+01 mv 6 47 96 63 0 + -1 e 1 112 etot 1.3528E+20 mv 6 47 147 61 0 + -1 e 1 113 etot 1.3528E+20 mv 6 47 147 167 0 + 4 e 256 80 etot -8.6368E+01 mv 6 47 85 2 0 + 4 e 274 92 etot -8.1793E+01 mv 6 47 116 43 0 + 4 e 262 87 etot -7.4295E+01 mv 6 47 96 173 0 + 4 e 132 103 etot -8.4309E+01 mv 6 47 133 64 0 c 133 215.5 1.0 + 4 e 362 76 etot -8.5923E+01 mv 6 47 85 2 0 c 85 69.7 0.7 + 4 e 246 93 etot -8.1941E+01 mv 6 47 116 48 0 + 4 e 326 89 etot -8.3966E+01 mv 6 47 96 106 0 c 106 53.2 0.1 + 4 e 185 102 etot -8.3039E+01 mv 6 47 133 49 0 + 4 e 374 82 etot -8.3810E+01 mv 6 47 96 83 0 + 4 e 287 78 etot -8.0550E+01 mv 6 47 85 93 0 + 4 e 241 100 etot -8.7815E+01 mv 6 47 116 118 0 + -1 e 1 125 etot 1.3528E+20 mv 6 47 148 151 0 + 4 e 346 85 etot -8.3438E+01 mv 6 47 96 34 0 + 4 e 359 68 etot -7.3504E+01 mv 6 47 65 172 0 + 4 e 276 98 etot -8.2619E+01 mv 6 47 116 143 0 + 4 e 191 104 etot -8.3339E+01 mv 6 47 133 75 0 + 4 e 385 91 etot -8.8641E+01 mv 6 47 116 196 0 + 4 e 269 108 etot -7.5788E+01 mv 6 47 133 184 0 + 4 e 485 86 etot -8.1114E+01 mv 6 47 96 140 0 + 4 e 369 99 etot -8.2747E+01 mv 6 47 116 91 0 + 4 e 276 106 etot -8.4385E+01 mv 6 47 133 66 0 c 113 105.9 1.2 + 4 e 219 115 etot -8.8445E+01 mv 6 47 147 77 0 + 4 e 208 116 etot -7.4400E+01 mv 6 47 147 131 0 + 4 e 252 101 etot -7.5321E+01 mv 6 47 133 165 0 + 4 e 402 95 etot -7.6952E+01 mv 6 47 116 15 0 + 4 e 646 71 etot -7.7422E+01 mv 6 47 85 74 0 + 4 e 481 69 etot -8.4731E+01 mv 6 47 65 78 0 + 4 e 295 111 etot -7.7488E+01 mv 6 47 147 171 0 + 4 e 199 122 etot -8.5070E+01 mv 6 47 148 116 0 + 4 e 292 114 etot -7.6783E+01 mv 6 47 147 140 0 + 4 e 272 117 etot -8.8445E+01 mv 6 47 147 149 0 + 4 e 264 119 etot -8.8445E+01 mv 6 47 147 75 0 + 4 e 230 107 etot -8.5046E+01 mv 6 47 133 109 0 + 4 e 266 121 etot -8.7435E+01 mv 6 47 148 161 0 + 4 e 162 124 etot -8.6550E+01 mv 6 47 148 25 0 + -1 e 1 149 etot 1.3528E+20 mv 6 47 195 139 0 + 4 e 190 131 etot -8.2858E+01 mv 6 47 189 80 0 + 4 e 329 118 etot -8.2995E+01 mv 6 47 147 95 0 + 4 e 483 83 etot -7.7669E+01 mv 6 47 96 159 0 + 4 e 255 129 etot -8.0859E+01 mv 6 47 148 64 0 + 4 e 333 123 etot -8.7576E+01 mv 6 47 148 78 0 + 4 e 359 97 etot -7.8918E+01 mv 6 47 116 104 0 + 4 e 236 133 etot -8.2903E+01 mv 6 47 189 77 0 c 189 3.2 0.0 + 4 e 197 140 etot -8.1227E+01 mv 6 47 189 184 0 + 4 e 462 120 etot -7.4057E+01 mv 6 47 147 67 0 + 4 e 270 135 etot -8.2017E+01 mv 6 47 189 20 0 + 4 e 674 94 etot -8.2736E+01 mv 6 47 116 148 0 + 4 e 271 136 etot -8.3609E+01 mv 6 47 189 190 0 + 4 e 275 142 etot -7.0748E+01 mv 6 47 195 132 0 + -1 e 1 163 etot 1.3528E+20 mv 6 47 113 164 0 + 4 e 420 130 etot -8.1408E+01 mv 6 47 148 140 0 + -1 e 1 165 etot 1.3528E+20 mv 6 47 113 62 0 + 4 e 231 141 etot -7.4224E+01 mv 6 47 195 26 0 + 4 e 240 138 etot -8.2858E+01 mv 6 47 189 9 0 + 4 e 324 144 etot -7.8267E+01 mv 6 47 195 41 0 + 4 e 387 134 etot -7.7217E+01 mv 6 47 189 147 0 + 4 e 263 151 etot -8.5854E+01 mv 6 47 196 82 0 c 196 62.4 0.4 + 4 e 573 79 etot -8.5617E+01 mv 6 47 85 104 0 + 4 e 326 148 etot -8.6379E+01 mv 6 47 195 22 0 c 195 29.8 0.1 + 4 e 551 127 etot -8.5684E+01 mv 6 47 148 118 0 + 4 e 361 146 etot -8.5306E+01 mv 6 47 195 101 0 + 4 e 289 154 etot -7.7192E+01 mv 6 47 196 83 0 + 4 e 432 139 etot -7.5394E+01 mv 6 47 189 103 0 + 4 e 314 152 etot -8.5456E+01 mv 6 47 196 27 0 + -1 e 1 178 etot 1.3528E+20 mv 6 47 183 190 0 + 4 e 388 145 etot -8.7707E+01 mv 6 47 195 184 0 + 4 e 250 150 etot -7.6283E+01 mv 6 47 195 10 0 + 4 e 592 126 etot -8.4672E+01 mv 6 47 148 60 0 + 4 e 482 137 etot -8.2901E+01 mv 6 47 189 122 0 + 4 e 267 153 etot -7.2575E+01 mv 6 47 196 75 0 + 4 e 254 162 etot -7.8861E+01 mv 6 47 113 4 0 + 4 e 313 157 etot -8.5145E+01 mv 6 47 196 24 0 c 55 261.8 1.6 + 4 e 278 160 etot -9.1994E+01 mv 6 47 196 45 0 + 4 e 154 173 etot -7.3075E+01 mv 6 47 183 13 0 + 4 e 527 143 etot -8.0759E+01 mv 6 47 195 93 0 + 4 e 128 177 etot -8.0327E+01 mv 6 47 183 98 0 + 4 e 591 132 etot -8.3873E+01 mv 6 47 189 43 0 + 4 e 432 155 etot -7.6639E+01 mv 6 47 196 28 0 + 4 e 294 166 etot -8.4032E+01 mv 6 47 113 115 0 + 4 e 268 171 etot -7.9163E+01 mv 6 47 183 61 0 + 4 e 156 183 etot -7.7393E+01 mv 6 47 174 125 0 + 4 e 388 159 etot -7.6066E+01 mv 6 47 196 58 0 + 4 e 203 176 etot -8.1971E+01 mv 6 47 183 74 0 + -1 e 1 196 etot 1.3528E+20 mv 6 47 88 177 0 + 4 e 357 164 etot -7.9219E+01 mv 6 47 113 19 0 + 4 e 295 170 etot -7.7625E+01 mv 6 47 113 130 0 + -1 e 1 200 etot 1.3528E+20 mv 6 47 88 82 0 + 4 e 210 179 etot -8.6525E+01 mv 6 47 183 175 0 + -1 e 1 202 etot 1.3528E+20 mv 2 47 3 -53 0 + -1 e 1 203 etot 1.3528E+20 mv 2 47 3 -10 0 + 4 e 444 158 etot -9.1992E+01 mv 6 47 196 80 0 + 4 e 414 161 etot -7.5194E+01 mv 6 47 113 98 0 + 4 e 226 167 etot -8.0076E+01 mv 6 47 113 187 0 + 4 e 132 188 etot -8.7383E+01 mv 6 47 174 159 0 + 4 e 491 128 etot 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0 + 4 e 194 314 etot -6.7807E+01 mv 1 47 29 -82 0 + 4 e 291 305 etot -9.0745E+01 mv 1 47 3 -131 0 + 4 e 372 294 etot -7.3685E+01 mv 2 47 174 126 0 + 4 e 305 304 etot -8.8070E+01 mv 1 47 3 -161 0 + 4 e 277 308 etot -8.6354E+01 mv 1 47 20 -51 0 + 4 e 153 321 etot -8.7772E+01 mv 1 47 36 -109 0 c 36 1.5 0.0 + 4 e 387 303 etot -7.8257E+01 mv 1 47 3 -11 0 + 4 e 400 300 etot -8.3567E+01 mv 2 47 88 -126 0 + 4 e 232 318 etot -8.2549E+01 mv 1 47 30 -197 0 + 4 e 361 307 etot -6.5134E+01 mv 1 47 20 -138 0 + 4 e 314 315 etot -7.3294E+01 mv 1 47 29 -64 0 + 4 e 194 328 etot -8.5652E+01 mv 1 47 52 -127 0 + 4 e 385 311 etot -7.4751E+01 mv 1 47 29 -96 0 + 4 e 263 316 etot -8.1811E+01 mv 1 47 30 -147 0 + 4 e 543 273 etot -6.9779E+01 mv 2 47 195 -1 0 + 4 e 216 325 etot -8.7772E+01 mv 1 47 36 -55 0 + 4 e 372 319 etot -8.3328E+01 mv 1 47 30 -145 0 + 4 e 138 341 etot -8.6802E+01 mv 1 47 96 -169 0 + 4 e 581 301 etot -7.4559E+01 mv 1 47 3 -56 0 + 4 e 257 334 etot -7.4884E+01 mv 1 47 65 -30 0 + 4 e 256 335 etot 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1.3528E+20 mv 1 47 195 -180 0 + 4 e 386 320 etot -8.6134E+01 mv 1 47 30 -39 0 + 4 e 174 351 etot -8.1982E+01 mv 1 47 133 -161 0 + 4 e 360 339 etot -8.5130E+01 mv 1 47 85 -79 0 + 4 e 180 356 etot -8.5516E+01 mv 1 47 147 -105 0 c 147 1.8 0.0 + 4 e 574 323 etot -7.7077E+01 mv 1 47 36 -87 0 + 4 e 439 337 etot -6.2020E+01 mv 1 47 85 -76 0 + -1 e 1 378 etot 1.3528E+20 mv 1 47 196 -18 0 + 4 e 239 352 etot -6.4774E+01 mv 1 47 133 -59 0 + 4 e 243 359 etot -8.4981E+01 mv 1 47 147 -15 0 + 4 e 674 322 etot -8.2040E+01 mv 1 47 36 -15 0 + 4 e 450 329 etot -8.3706E+01 mv 1 47 52 -56 0 + 4 e 326 355 etot -8.3339E+01 mv 1 47 133 -47 0 + 4 e 190 361 etot -8.6848E+01 mv 1 47 148 -99 0 + 4 e 266 346 etot -8.8642E+01 mv 1 47 116 -101 0 + 4 e 454 344 etot -7.6329E+01 mv 1 47 96 -73 0 + 4 e 379 348 etot -8.7559E+01 mv 1 47 116 -71 0 + 4 e 386 350 etot -8.8640E+01 mv 1 47 116 -107 0 + 4 e 500 343 etot -8.3026E+01 mv 1 47 96 -21 0 + 4 e 368 357 etot -6.9077E+01 mv 1 47 147 -69 0 + 4 e 423 353 etot -6.3721E+01 mv 1 47 133 -51 0 + 4 e 401 360 etot -7.4111E+01 mv 1 47 147 -61 0 + 4 e 145 381 etot -8.3214E+01 mv 1 47 113 -19 0 + 4 e 249 376 etot -8.4896E+01 mv 1 47 196 -109 0 + 4 e 336 366 etot -7.0327E+01 mv 1 47 189 -148 0 + 4 e 212 380 etot -8.5445E+01 mv 1 47 196 -38 0 + 4 e 400 362 etot -8.2385E+01 mv 1 47 148 -21 0 + 4 e 275 379 etot -7.6289E+01 mv 1 47 196 -119 0 + 4 e 613 342 etot -7.3653E+01 mv 1 47 96 -79 0 + 4 e 508 349 etot -8.6834E+01 mv 1 47 116 -189 0 + 4 e 162 384 etot -8.3214E+01 mv 1 47 113 129 0 + 4 e 135 383 etot -8.3214E+01 mv 1 47 113 -185 0 + 4 e 371 374 etot -8.5011E+01 mv 1 47 195 -165 0 + 4 e 379 375 etot -8.6269E+01 mv 1 47 195 -114 0 + 4 e 477 364 etot -8.4128E+01 mv 1 47 148 -101 0 + 4 e 320 369 etot -6.2250E+01 mv 1 47 189 -159 0 + 4 e 122 401 etot -9.0745E+01 mv 0 47 3 0 0 c 3 1.4 0.0 + 4 e 83 404 etot -8.6134E+01 mv 0 47 30 0 0 c 30 2.9 0.0 + 4 e 181 393 etot -8.7383E+01 mv 1 47 174 24 0 + 4 e 203 392 etot -8.4570E+01 mv 1 47 174 132 0 + 4 e 317 373 etot -8.6358E+01 mv 1 47 195 -165 0 + 4 e 193 394 etot -8.7383E+01 mv 1 47 174 13 0 + 4 e 88 405 etot -8.7772E+01 mv 0 47 36 0 0 c 36 0.9 0.0 + 4 e 185 395 etot -8.6853E+01 mv 1 47 174 -62 0 + 4 e 167 402 etot -8.6355E+01 mv 0 47 20 0 0 c 20 0.5 0.0 + 4 e 189 398 etot -8.7306E+01 mv 1 47 88 180 0 + 4 e 9 417 etot -8.3214E+01 mv 0 47 113 0 0 + 4 e 536 367 etot -6.3738E+01 mv 1 47 189 -161 0 + 4 e 110 406 etot -8.6086E+01 mv 0 47 52 0 0 c 52 1.7 0.0 +## N0 total= 23 close= 14 far= 0 %acc 60.9 +## N1 total= 97 close= 6 far= 0 %acc 6.2 +## N2 total= 100 close= 3 far= 1 %acc 4.0 +## N3 total= 0 close= 0 far= 0 %acc 0.0 +## N4 total= 0 close= 0 far= 0 %acc 0.0 +## N5 total= 0 close= 0 far= 0 %acc 0.0 +## N6 total= 200 close= 17 far= 0 %acc 8.5 +## N7 total= 0 close= 0 far= 0 %acc 0.0 +## N8 total= 0 close= 0 far= 0 %acc 0.0 +## N9 total= 0 close= 0 far= 0 %acc 0.0 +##N10 total= 0 close= 0 far= 0 %acc 0.0 +##N11 total= 0 close= 0 far= 0 %acc 0.0 +##N12 total= 0 close= 0 far= 0 %acc 0.0 +##N13 total= 0 close= 0 far= 0 %acc 0.0 +##N14 total= 0 close= 0 far= 0 %acc 0.0 +##N15 total= 0 close= 0 far= 0 %acc 0.0 +##N16 total= 0 close= 0 far= 0 %acc 0.0 +##N17 total= 0 close= 0 far= 0 %acc 0.0 +##N18 total= 0 close= 0 far= 0 %acc 0.0 + Time for refresh 48 0.27 + make_var : nseed= 20 ntry= 420 + Time for make trial 49 0.10 +Nonsetup time 97.66 sec, Eval/s = 64783.70 +Time for iter 49 1.83 sec, Eval/s = 66393.52 + UPDATING 420 + 4 e 621 377 etot -8.2542E+01 mv 1 47 196 -154 0 + 4 e 259 397 etot -7.5244E+01 mv 1 47 88 31 0 + 4 e 53 411 etot -8.3340E+01 mv 0 47 133 0 0 + 4 e 352 391 etot -6.7054E+01 mv 1 47 174 141 0 + 4 e 531 389 etot -8.4789E+01 mv 1 47 183 -71 0 + 4 e 388 388 etot -7.5973E+01 mv 1 47 183 -82 0 + 4 e 128 414 etot -8.2903E+01 mv 0 47 189 0 0 c 189 1.0 0.0 + 4 e 35 419 etot -8.7383E+01 mv 0 47 174 0 0 c 174 0.2 0.0 + 4 e 627 387 etot -5.6627E+01 mv 1 47 183 -71 0 + 4 e 379 390 etot -8.4608E+01 mv 1 47 183 -146 0 + 4 e 694 358 etot -8.5017E+01 mv 1 47 147 -11 0 + 4 e 294 399 etot -8.7305E+01 mv 1 47 88 -82 0 + 4 e 237 396 etot -7.5535E+01 mv 1 47 88 167 0 + 4 e 129 410 etot -8.8643E+01 mv 0 47 116 0 0 c 116 2.5 0.0 + -1 e 1 4 etot 1.3528E+20 mv 6 48 55 82 0 + 4 e 376 382 etot -7.7631E+01 mv 1 47 113 -68 0 + 4 e 218 400 etot -8.7305E+01 mv 1 47 88 135 0 + 4 e 192 415 etot -8.6270E+01 mv 0 47 195 0 0 + 4 e 112 409 etot -8.6906E+01 mv 0 47 96 0 0 c 96 0.7 0.0 + 4 e 123 416 etot -8.5446E+01 mv 0 47 196 0 0 + 4 e 108 413 etot -8.7185E+01 mv 0 47 148 0 0 + 4 e 45 418 etot -8.7603E+01 mv 0 47 183 0 0 c 183 0.2 0.0 + 4 e 146 408 etot -8.5214E+01 mv 0 47 85 0 0 + 4 e 77 420 etot -8.7306E+01 mv 0 47 88 0 0 c 88 0.4 0.0 + 4 e 573 372 etot -8.3414E+01 mv 1 47 195 -98 0 + 4 e 392 365 etot -8.1329E+01 mv 1 47 148 -147 0 + 4 e 113 407 etot -8.4732E+01 mv 0 47 65 0 0 + 4 e 266 385 etot -7.6699E+01 mv 1 47 113 -109 0 + 4 e 731 347 etot -7.5458E+01 mv 1 47 116 -84 0 + 4 e 683 386 etot -8.3999E+01 mv 1 47 183 -164 0 + 4 e 136 403 etot -8.4530E+01 mv 0 47 29 0 0 c 29 1.4 0.0 + 4 e 98 412 etot -8.5516E+01 mv 0 47 147 0 0 c 147 1.1 0.0 + -1 e 1 25 etot 1.3528E+20 mv 6 48 85 164 0 + 4 e 109 16 etot -8.4029E+01 mv 6 48 65 55 0 + 4 e 183 6 etot -8.5146E+01 mv 6 48 55 20 0 c 55 1.9 0.0 + 4 e 212 30 etot -7.3273E+01 mv 6 48 85 45 0 + 4 e 222 26 etot -8.4677E+01 mv 6 48 85 69 0 + 4 e 229 3 etot -7.8792E+01 mv 6 48 55 190 0 + 4 e 237 28 etot -7.4396E+01 mv 6 48 85 132 0 + 4 e 234 18 etot -7.7766E+01 mv 6 48 65 101 0 + 4 e 250 24 etot -8.1932E+01 mv 6 48 85 150 0 + 4 e 267 11 etot -8.5691E+01 mv 6 48 65 45 0 + 4 e 267 21 etot -8.4374E+01 mv 6 48 85 128 0 + 4 e 283 15 etot -7.6594E+01 mv 6 48 65 149 0 + 4 e 296 9 etot -8.5145E+01 mv 6 48 55 173 0 + 4 e 292 19 etot -7.8125E+01 mv 6 48 65 56 0 + -1 e 1 46 etot 1.3528E+20 mv 6 48 113 162 0 + -1 e 1 47 etot 1.3528E+20 mv 6 48 113 35 0 + 4 e 306 10 etot -8.0456E+01 mv 6 48 55 21 0 + 4 e 302 13 etot -8.2330E+01 mv 6 48 65 67 0 + -1 e 1 49 etot 1.3528E+20 mv 6 48 113 180 0 + 4 e 310 20 etot -8.7275E+01 mv 6 48 65 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172 375 etot -8.8154E+01 mv 1 48 40 138 0 + 4 e 273 377 etot -8.7383E+01 mv 1 48 174 -62 0 + 4 e 624 346 etot -6.6192E+01 mv 1 48 195 -136 0 + 4 e 449 311 etot -8.5922E+01 mv 1 48 85 -72 0 + 4 e 240 383 etot -8.7603E+01 mv 1 48 183 -91 0 + 4 e 582 356 etot -7.6467E+01 mv 1 48 21 -51 0 + 4 e 188 386 etot -8.9201E+01 mv 1 48 8 42 0 + 4 e 206 387 etot -8.9200E+01 mv 1 48 8 25 0 + 4 e 182 391 etot -8.7772E+01 mv 1 48 36 115 0 + 4 e 639 353 etot -8.2275E+01 mv 1 48 196 -187 0 + 4 e 377 362 etot -6.1195E+01 mv 1 48 116 -34 0 + 4 e 52 407 etot -8.4309E+01 mv 0 48 133 0 0 c 133 0.3 0.0 + 4 e 95 403 etot -8.5924E+01 mv 0 48 85 0 0 c 85 1.3 0.0 + 4 e 102 402 etot -8.4760E+01 mv 0 48 65 0 0 c 65 1.2 0.0 + 4 e 184 395 etot -8.7772E+01 mv 1 48 36 176 0 + 4 e 25 412 etot -8.3899E+01 mv 0 48 21 0 0 c 21 0.0 0.0 + 4 e 97 401 etot -8.5146E+01 mv 0 48 55 0 0 + 4 e 11 414 etot -8.8359E+01 mv 0 48 139 0 0 c 139 0.0 0.0 + 4 e 112 404 etot -8.3966E+01 mv 0 48 106 0 0 c 106 0.9 0.0 + 4 e 10 418 etot -8.9201E+01 mv 0 48 8 0 0 c 8 0.0 0.0 +## N0 total= 22 close= 15 far= 0 %acc 68.2 +## N1 total= 98 close= 6 far= 0 %acc 6.1 +## N2 total= 100 close= 4 far= 0 %acc 4.0 +## N3 total= 0 close= 0 far= 0 %acc 0.0 +## N4 total= 0 close= 0 far= 0 %acc 0.0 +## N5 total= 0 close= 0 far= 0 %acc 0.0 +## N6 total= 200 close= 10 far= 0 %acc 5.0 +## N7 total= 0 close= 0 far= 0 %acc 0.0 +## N8 total= 0 close= 0 far= 0 %acc 0.0 +## N9 total= 0 close= 0 far= 0 %acc 0.0 +##N10 total= 0 close= 0 far= 0 %acc 0.0 +##N11 total= 0 close= 0 far= 0 %acc 0.0 +##N12 total= 0 close= 0 far= 0 %acc 0.0 +##N13 total= 0 close= 0 far= 0 %acc 0.0 +##N14 total= 0 close= 0 far= 0 %acc 0.0 +##N15 total= 0 close= 0 far= 0 %acc 0.0 +##N16 total= 0 close= 0 far= 0 %acc 0.0 +##N17 total= 0 close= 0 far= 0 %acc 0.0 +##N18 total= 0 close= 0 far= 0 %acc 0.0 + Time for refresh 49 0.29 + make_var : nseed= 20 ntry= 420 + Time for make trial 50 0.08 +Nonsetup time 99.55 sec, Eval/s = 64842.54 +Time for iter 50 1.89 sec, Eval/s = 67875.89 + UPDATING 420 + 4 e 507 397 etot -8.2626E+01 mv 1 48 124 46 0 + 4 e 17 419 etot -8.7772E+01 mv 0 48 36 0 0 c 36 0.0 0.0 + 4 e 333 389 etot -8.9200E+01 mv 1 48 8 -25 0 + 4 e 587 364 etot -8.8578E+01 mv 1 48 116 113 0 + 4 e 35 416 etot -8.7383E+01 mv 0 48 174 0 0 + 4 e 165 410 etot -8.6379E+01 mv 0 48 195 0 0 c 195 1.2 0.0 + 4 e 129 413 etot -8.8643E+01 mv 0 48 116 0 0 + 4 e 214 396 etot -7.5335E+01 mv 1 48 124 -42 0 + 4 e 63 415 etot -8.8154E+01 mv 0 48 40 0 0 c 40 0.2 0.0 + -1 e 1 1 etot 1.3528E+20 mv 6 49 55 132 0 + 4 e 154 409 etot -8.7241E+01 mv 0 48 148 0 0 + 4 e 424 381 etot -7.5127E+01 mv 1 48 183 -149 0 + 4 e 486 373 etot -8.3877E+01 mv 1 48 40 -42 0 + 4 e 45 420 etot -8.8026E+01 mv 0 48 124 0 0 c 124 0.0 0.0 + 4 e 66 408 etot -8.3555E+01 mv 0 48 135 0 0 + 4 e 273 390 etot -7.5252E+01 mv 1 48 8 158 0 + 4 e 365 392 etot -8.5023E+01 mv 1 48 36 138 0 + 4 e 349 384 etot -7.6985E+01 mv 1 48 183 137 0 + 4 e 132 406 etot -8.4755E+01 mv 0 48 129 0 0 + 4 e 508 369 etot -7.4407E+01 mv 1 48 139 -157 0 + 4 e 222 398 etot -8.8025E+01 mv 1 48 124 125 0 + 4 e 294 400 etot -8.8025E+01 mv 1 48 124 97 0 + -1 e 1 14 etot 1.3528E+20 mv 6 49 117 90 0 + 4 e 533 374 etot -8.1863E+01 mv 1 48 40 199 0 + 4 e 100 405 etot -8.4385E+01 mv 0 48 113 0 0 c 113 0.8 0.0 + 4 e 45 417 etot -8.7603E+01 mv 0 48 183 0 0 + 4 e 235 385 etot -8.7603E+01 mv 1 48 183 132 0 + 4 e 77 411 etot -8.5855E+01 mv 0 48 196 0 0 + 4 e 343 399 etot -7.6973E+01 mv 1 48 124 194 0 + 4 e 248 388 etot -8.9200E+01 mv 1 48 8 -18 0 + 4 e 566 382 etot -8.7423E+01 mv 1 48 183 199 0 + 4 e 377 366 etot -8.7948E+01 mv 1 48 139 182 0 + 4 e 150 393 etot -8.7772E+01 mv 1 48 36 -165 0 + -1 e 1 31 etot 1.3528E+20 mv 6 49 135 14 0 + -1 e 1 32 etot 1.3528E+20 mv 6 49 135 9 0 + 4 e 163 4 etot -7.1131E+01 mv 6 49 55 189 0 + 4 e 171 27 etot -7.1111E+01 mv 6 49 129 111 0 + 4 e 193 34 etot -8.6896E+01 mv 6 49 135 170 0 c 135 2.7 0.0 + 4 e 197 2 etot -8.5902E+01 mv 6 49 55 26 0 + 4 e 208 30 etot -7.7308E+01 mv 6 49 129 173 0 + 4 e 202 26 etot -8.4981E+01 mv 6 49 129 41 0 c 129 3.1 0.0 + 4 e 238 23 etot -8.4028E+01 mv 6 49 129 30 0 + 4 e 251 22 etot -7.4229E+01 mv 6 49 129 184 0 + 4 e 250 24 etot -8.3310E+01 mv 6 49 129 12 0 + -1 e 1 44 etot 1.3528E+20 mv 6 49 165 108 0 + 4 e 268 33 etot -8.7571E+01 mv 6 49 135 182 0 + 4 e 302 5 etot -8.7659E+01 mv 6 49 55 8 0 + 4 e 284 9 etot -8.4106E+01 mv 6 49 55 188 0 + 4 e 175 36 etot -8.6118E+01 mv 6 49 135 128 0 + 4 e 311 18 etot -8.4467E+01 mv 6 49 117 95 0 + 4 e 333 16 etot -7.4123E+01 mv 6 49 117 123 0 + 4 e 346 7 etot -8.4059E+01 mv 6 49 55 113 0 + 4 e 333 10 etot -7.9891E+01 mv 6 49 55 132 0 + 4 e 345 35 etot -8.0873E+01 mv 6 49 135 161 0 + 4 e 345 3 etot -8.6268E+01 mv 6 49 55 63 0 + 4 e 382 20 etot -7.5734E+01 mv 6 49 117 195 0 + 4 e 403 6 etot -7.6303E+01 mv 6 49 55 35 0 + 4 e 371 13 etot -7.8269E+01 mv 6 49 117 199 0 + 4 e 180 37 etot -8.7039E+01 mv 6 49 135 101 0 c 135 20.6 0.1 + -1 e 1 59 etot 1.3528E+20 mv 6 49 44 175 0 + 4 e 365 29 etot -8.6164E+01 mv 6 49 129 162 0 + 4 e 199 39 etot -8.5111E+01 mv 6 49 135 50 0 + -1 e 1 62 etot 1.3528E+20 mv 6 49 139 140 0 + 4 e 445 17 etot -9.0777E+01 mv 6 49 117 21 0 + 4 e 447 21 etot -8.3073E+01 mv 6 49 129 75 0 + 4 e 454 15 etot -8.4839E+01 mv 6 49 117 161 0 + 4 e 454 12 etot -9.1992E+01 mv 6 49 117 49 0 + 4 e 451 25 etot -8.0859E+01 mv 6 49 129 152 0 + 4 e 464 8 etot -7.4438E+01 mv 6 49 55 104 0 + 4 e 13 67 etot -8.7306E+01 mv 6 49 139 88 0 c 88 0.0 0.0 + -1 e 1 70 etot 1.3528E+20 mv 6 49 139 86 0 + 4 e 441 28 etot -8.4477E+01 mv 6 49 129 44 0 + 4 e 310 38 etot -8.7755E+01 mv 6 49 135 105 0 + 4 e 529 19 etot -8.1809E+01 mv 6 49 117 60 0 + 4 e 301 40 etot -7.9248E+01 mv 6 49 135 193 0 + 4 e 167 54 etot -8.1949E+01 mv 6 49 44 76 0 + 4 e 267 41 etot -8.1814E+01 mv 6 49 165 46 0 + 4 e 272 42 etot -8.1801E+01 mv 6 49 165 17 0 + 4 e 525 11 etot -8.3974E+01 mv 6 49 117 89 0 + 4 e 316 46 etot -7.8463E+01 mv 6 49 165 69 0 + 4 e 223 58 etot -8.2509E+01 mv 6 49 44 34 0 + 4 e 433 47 etot -8.0882E+01 mv 6 49 165 126 0 + 4 e 259 63 etot -8.8359E+01 mv 6 49 139 77 0 + 4 e 319 53 etot -7.9255E+01 mv 6 49 44 50 0 + 4 e 331 55 etot -7.9943E+01 mv 6 49 44 150 0 + 4 e 452 50 etot -7.9792E+01 mv 6 49 165 167 0 + 4 e 488 49 etot -7.8268E+01 mv 6 49 165 94 0 + 4 e 424 57 etot -8.3443E+01 mv 6 49 44 24 0 + 4 e 237 66 etot -7.2871E+01 mv 6 49 139 76 0 + 4 e 291 74 etot -8.3296E+01 mv 6 49 1 142 0 + 4 e 251 75 etot -7.3592E+01 mv 6 49 1 161 0 + 4 e 565 45 etot -8.1023E+01 mv 6 49 165 187 0 + 4 e 365 65 etot -8.4005E+01 mv 6 49 139 147 0 + 4 e 512 51 etot -8.2844E+01 mv 6 49 44 120 0 + 4 e 256 82 etot -7.4762E+01 mv 6 49 174 43 0 + 4 e 592 56 etot -8.2143E+01 mv 6 49 44 106 0 + 4 e 239 77 etot -7.8718E+01 mv 6 49 1 180 0 + 4 e 286 72 etot -8.8028E+01 mv 6 49 1 177 0 + 4 e 233 84 etot -7.2646E+01 mv 6 49 174 107 0 + -1 e 1 99 etot 1.3528E+20 mv 6 49 8 43 0 + 4 e 710 52 etot -7.6268E+01 mv 6 49 44 177 0 + -1 e 1 101 etot 1.3528E+20 mv 6 49 36 113 0 + 4 e 369 60 etot -8.4068E+01 mv 6 49 44 188 0 + 4 e 192 89 etot -7.3932E+01 mv 6 49 174 77 0 + 4 e 229 86 etot -8.6597E+01 mv 6 49 174 178 0 + 4 e 258 85 etot -8.0437E+01 mv 6 49 174 101 0 + 4 e 337 76 etot -8.8114E+01 mv 6 49 1 17 0 + -1 e 1 107 etot 1.3026E+21 mv 6 49 36 88 0 + 4 e 689 43 etot -8.3698E+01 mv 6 49 165 143 0 c 165 14.1 0.0 + 4 e 478 78 etot -7.8137E+01 mv 6 49 1 119 0 + 4 e 381 73 etot -8.6122E+01 mv 6 49 1 107 0 + 4 e 673 64 etot -8.0379E+01 mv 6 49 139 150 0 + 4 e 505 69 etot -6.8618E+01 mv 6 49 139 171 0 + 4 e 513 71 etot -8.3012E+01 mv 6 49 1 70 0 + 4 e 342 80 etot -8.0780E+01 mv 6 49 1 49 0 + 4 e 468 61 etot -8.5687E+01 mv 6 49 139 124 0 + 4 e 462 81 etot -6.9704E+01 mv 6 49 174 28 0 + 4 e 716 48 etot -8.4592E+01 mv 6 49 165 90 0 + 4 e 433 83 etot -8.0320E+01 mv 6 49 174 184 0 + 4 e 342 90 etot -7.4822E+01 mv 6 49 174 160 0 + 4 e 207 105 etot -8.3393E+01 mv 6 49 36 37 0 + -1 e 1 121 etot 1.3528E+20 mv 6 49 124 151 0 + 4 e 269 93 etot -9.0746E+01 mv 6 49 8 113 0 + 4 e 158 109 etot -8.7459E+01 mv 6 49 36 162 0 + -1 e 1 124 etot 1.3528E+20 mv 6 49 124 144 0 + 4 e 472 87 etot -8.2504E+01 mv 6 49 174 145 0 + 4 e 649 68 etot -8.3453E+01 mv 6 49 139 77 0 + 4 e 317 92 etot -7.7380E+01 mv 6 49 8 32 0 + 4 e 98 117 etot -8.5376E+01 mv 6 49 200 97 0 c 97 1.5 0.0 + 4 e 472 88 etot -8.6302E+01 mv 6 49 174 196 0 + 4 e 598 79 etot -8.2632E+01 mv 6 49 1 127 0 + 4 e 285 100 etot -8.3550E+01 mv 6 49 8 65 0 + -1 e 1 132 etot 1.3528E+20 mv 6 49 183 99 0 + 4 e 301 102 etot -8.7772E+01 mv 6 49 36 105 0 + 4 e 368 104 etot -7.7022E+01 mv 6 49 36 57 0 + 4 e 257 112 etot -7.3920E+01 mv 6 49 200 195 0 + 4 e 240 98 etot -9.0900E+01 mv 6 49 8 40 0 + -1 e 1 137 etot 1.3528E+20 mv 6 49 183 139 0 + 4 e 234 108 etot -8.7772E+01 mv 6 49 36 71 0 + 4 e 395 106 etot -7.9785E+01 mv 6 49 36 16 0 + 4 e 201 123 etot -8.6613E+01 mv 6 49 124 3 0 + 4 e 480 95 etot -8.2545E+01 mv 6 49 8 31 0 + 4 e 279 120 etot -8.2745E+01 mv 6 49 200 60 0 + 4 e 333 114 etot -7.5986E+01 mv 6 49 200 172 0 + 4 e 208 131 etot -7.1691E+01 mv 6 49 183 105 0 + -1 e 1 145 etot 1.3528E+20 mv 6 49 167 195 0 + 4 e 206 133 etot -6.9743E+01 mv 6 49 183 174 0 + 4 e 261 111 etot -8.0566E+01 mv 6 49 200 90 0 + -1 e 1 148 etot 1.3528E+20 mv 6 49 167 197 0 + 4 e 266 127 etot -8.8025E+01 mv 6 49 124 59 0 + 4 e 253 130 etot -8.2854E+01 mv 6 49 124 99 0 + 4 e 298 128 etot -7.3458E+01 mv 6 49 124 176 0 + -1 e 1 152 etot 1.3528E+20 mv 6 49 38 24 0 + 4 e 421 113 etot -8.3309E+01 mv 6 49 200 112 0 + 4 e 612 94 etot -7.9108E+01 mv 6 49 8 32 0 + 4 e 338 122 etot -8.4824E+01 mv 6 49 124 71 0 + 4 e 394 119 etot -7.7834E+01 mv 6 49 200 199 0 + 4 e 360 125 etot -8.2801E+01 mv 6 49 124 94 0 + 4 e 243 135 etot -8.6248E+01 mv 6 49 183 22 0 + 4 e 375 126 etot -7.5021E+01 mv 6 49 124 95 0 + 4 e 659 96 etot -8.1330E+01 mv 6 49 8 163 0 + 4 e 501 91 etot -8.5011E+01 mv 6 49 8 46 0 + 4 e 351 134 etot -8.6605E+01 mv 6 49 183 173 0 + -1 e 1 163 etot 1.3528E+20 mv 6 49 180 4 0 + 4 e 201 138 etot -8.2918E+01 mv 6 49 183 200 0 + 4 e 546 118 etot -8.4859E+01 mv 6 49 200 193 0 + 4 e 492 97 etot -8.0139E+01 mv 6 49 8 28 0 + -1 e 1 167 etot 1.3528E+20 mv 6 49 180 10 0 + -1 e 1 168 etot 1.3528E+20 mv 6 49 180 148 0 + 4 e 318 141 etot -8.1393E+01 mv 6 49 167 192 0 + 4 e 244 151 etot -7.4120E+01 mv 6 49 38 2 0 + 4 e 235 153 etot -8.4754E+01 mv 6 49 38 148 0 + 4 e 663 110 etot -8.1138E+01 mv 6 49 36 144 0 + 4 e 355 140 etot -7.7389E+01 mv 6 49 183 136 0 + 4 e 280 150 etot -8.2951E+01 mv 6 49 167 121 0 + 4 e 312 146 etot -8.4467E+01 mv 6 49 167 179 0 c 179 71.0 0.1 + 4 e 459 115 etot -8.2411E+01 mv 6 49 200 30 0 f 37 368.1 0.5 + 4 e 242 155 etot -7.9726E+01 mv 6 49 38 7 0 + 4 e 260 154 etot -7.7619E+01 mv 6 49 38 132 0 + 4 e 278 156 etot -7.1085E+01 mv 6 49 38 132 0 + 4 e 372 144 etot -8.8049E+01 mv 6 49 167 69 0 c 122 176.9 2.1 + 4 e 221 160 etot -8.5114E+01 mv 6 49 38 57 0 + 4 e 417 142 etot -7.2973E+01 mv 6 49 167 168 0 + -1 e 1 183 etot 1.3528E+20 mv 6 49 157 168 0 + 4 e 319 139 etot -8.3661E+01 mv 6 49 183 125 0 + 4 e 323 157 etot -8.7215E+01 mv 6 49 38 149 0 + 4 e 665 129 etot -8.2699E+01 mv 6 49 124 33 0 + 4 e 299 149 etot -8.7723E+01 mv 6 49 167 24 0 + 4 e 343 158 etot -7.9726E+01 mv 6 49 38 152 0 + 4 e 323 161 etot -7.9603E+01 mv 6 49 180 200 0 + 4 e 207 170 etot -8.4106E+01 mv 6 49 180 188 0 + 4 e 154 180 etot -6.3103E+01 mv 6 49 59 22 0 + -1 e 1 192 etot 1.3528E+20 mv 6 49 51 125 0 + 4 e 175 178 etot -8.3737E+01 mv 6 49 59 96 0 + 4 e 357 164 etot -7.4908E+01 mv 6 49 180 182 0 + 4 e 277 166 etot -8.7278E+01 mv 6 49 180 198 0 c 180 102.1 0.1 + -1 e 1 195 etot 1.3528E+20 mv 6 49 51 167 0 + 4 e 571 143 etot -7.4916E+01 mv 6 49 167 108 0 + -1 e 1 197 etot 1.3528E+20 mv 6 49 51 74 0 + 4 e 305 171 etot -7.5471E+01 mv 6 49 59 46 0 + 4 e 614 116 etot -7.8588E+01 mv 6 49 200 130 0 + 4 e 700 136 etot -8.0342E+01 mv 6 49 183 18 0 + 4 e 298 176 etot -8.5286E+01 mv 6 49 59 3 0 + 4 e 735 103 etot -8.7717E+01 mv 6 49 36 103 0 + 4 e 505 159 etot -8.2003E+01 mv 6 49 38 84 0 + 4 e 642 147 etot -8.3902E+01 mv 6 49 167 157 0 + 4 e 360 175 etot -7.9872E+01 mv 6 49 59 10 0 + 4 e 355 162 etot -8.5925E+01 mv 6 49 180 58 0 + 4 e 317 181 etot -8.6797E+01 mv 6 49 157 131 0 + 4 e 278 169 etot -8.0129E+01 mv 6 49 180 52 0 + 4 e 407 173 etot -8.1936E+01 mv 6 49 59 52 0 + 4 e 304 184 etot -8.6797E+01 mv 6 49 157 37 0 + -1 e 1 212 etot 1.3528E+20 mv 2 49 129 -136 0 + 4 e 436 174 etot -7.6704E+01 mv 6 49 59 8 0 + 4 e 378 182 etot -8.6797E+01 mv 6 49 157 83 0 + 4 e 247 191 etot -8.5337E+01 mv 6 49 51 151 0 + 4 e 302 189 etot -8.6797E+01 mv 6 49 157 89 0 + 4 e 327 186 etot -8.6797E+01 mv 6 49 157 173 0 + 4 e 491 172 etot -7.9926E+01 mv 6 49 59 105 0 + 4 e 160 205 etot -8.5307E+01 mv 2 49 55 -49 0 c 55 2.5 0.0 + 4 e 262 194 etot -8.6594E+01 mv 6 49 51 30 0 + 4 e 331 177 etot -7.4127E+01 mv 6 49 59 129 0 + 4 e 262 199 etot -8.6594E+01 mv 6 49 51 14 0 + 4 e 169 213 etot -7.1972E+01 mv 2 49 129 -18 0 + 4 e 431 190 etot -7.6371E+01 mv 6 49 157 21 0 + 4 e 368 198 etot -8.3583E+01 mv 6 49 51 130 0 + 4 e 220 201 etot -8.5307E+01 mv 2 49 55 -28 0 + 4 e 476 187 etot -8.7386E+01 mv 6 49 157 26 0 + 4 e 336 188 etot -7.5031E+01 mv 6 49 157 188 0 + 4 e 436 193 etot -7.9742E+01 mv 6 49 51 110 0 + 4 e 173 220 etot -7.4893E+01 mv 2 49 135 -45 0 + 4 e 300 211 etot -8.4981E+01 mv 2 49 129 -33 0 + 4 e 262 216 etot -8.6896E+01 mv 2 49 135 -8 0 + 4 e 437 203 etot -8.4643E+01 mv 2 49 55 -83 0 + 4 e 597 165 etot -7.3480E+01 mv 6 49 180 115 0 + 4 e 459 185 etot -7.8121E+01 mv 6 49 157 167 0 + 4 e 351 214 etot -8.2918E+01 mv 2 49 129 -81 0 + 4 e 332 215 etot -8.2051E+01 mv 2 49 129 -26 0 + 4 e 492 202 etot -6.9464E+01 mv 2 49 55 -177 0 + 4 e 342 217 etot -7.6199E+01 mv 2 49 135 -19 0 + -1 e 1 240 etot 1.3528E+20 mv 2 49 1 166 0 + 4 e 780 179 etot -8.8925E+01 mv 6 49 59 71 0 + -1 e 1 242 etot 1.3528E+20 mv 2 49 174 94 0 + 4 e 587 196 etot -8.5436E+01 mv 6 49 51 107 0 + 4 e 510 207 etot -7.0103E+01 mv 2 49 117 -175 0 + 4 e 367 221 etot -8.0310E+01 mv 2 49 165 -173 0 + 4 e 212 231 etot -7.4084E+01 mv 2 49 139 33 0 + 4 e 396 219 etot -8.2122E+01 mv 2 49 135 -143 0 + 4 e 548 206 etot -8.6258E+01 mv 2 49 117 -195 0 + -1 e 1 249 etot 1.3528E+20 mv 2 49 8 -35 0 + 4 e 314 225 etot -7.8911E+01 mv 2 49 165 -56 0 + 4 e 627 200 etot -8.5941E+01 mv 6 49 51 128 0 + 4 e 564 209 etot -8.9668E+01 mv 2 49 117 -142 0 + 4 e 132 235 etot -7.4019E+01 mv 2 49 139 -136 0 + 4 e 439 223 etot -8.0516E+01 mv 2 49 165 -45 0 + 4 e 311 230 etot -8.4500E+01 mv 2 49 44 -23 0 + 4 e 407 208 etot -7.9921E+01 mv 2 49 117 -192 0 + 4 e 167 243 etot -8.7383E+01 mv 2 49 174 -59 0 + 4 e 303 232 etot -7.1110E+01 mv 2 49 139 -106 0 + 4 e 236 239 etot -7.5890E+01 mv 2 49 1 -14 0 + 4 e 558 218 etot -8.1618E+01 mv 2 49 135 -32 0 + 4 e 329 233 etot -8.5655E+01 mv 2 49 139 -169 0 + 4 e 501 204 etot -7.9345E+01 mv 2 49 55 -54 0 + 4 e 466 210 etot -8.5781E+01 mv 2 49 117 -44 0 + 4 e 154 251 etot -8.7772E+01 mv 2 49 36 -186 0 + 4 e 214 236 etot -8.8115E+01 mv 2 49 1 185 0 + -1 e 1 266 etot 2.0893E+22 mv 2 49 183 14 0 + -1 e 1 267 etot 1.3528E+20 mv 2 49 183 146 0 + 4 e 215 248 etot -8.9200E+01 mv 2 49 8 65 0 + 4 e 327 237 etot -8.3134E+01 mv 2 49 1 -194 0 + 4 e 261 246 etot -8.8603E+01 mv 2 49 8 158 0 + 4 e 543 224 etot -7.2506E+01 mv 2 49 165 -159 0 + 4 e 344 238 etot -8.8114E+01 mv 2 49 1 -8 0 + 4 e 288 247 etot -7.5624E+01 mv 2 49 8 -87 0 + 4 e 138 254 etot -7.0780E+01 mv 2 49 36 143 0 + 4 e 448 222 etot -6.4617E+01 mv 2 49 165 -5 0 + 4 e 526 228 etot -9.0757E+01 mv 2 49 44 195 0 + 4 e 313 245 etot -7.8411E+01 mv 2 49 174 -155 0 + 4 e 323 244 etot -7.9617E+01 mv 2 49 174 -71 0 + 4 e 550 226 etot -8.2931E+01 mv 2 49 44 -62 0 + 4 e 190 258 etot -8.7223E+01 mv 2 49 200 179 0 + 4 e 458 241 etot -8.2492E+01 mv 2 49 174 -5 0 + 4 e 344 255 etot -7.6413E+01 mv 2 49 36 8 0 + 4 e 392 250 etot -7.5302E+01 mv 2 49 8 -5 0 + 4 e 203 270 etot -8.7603E+01 mv 2 49 183 44 0 + 4 e 148 268 etot -8.7603E+01 mv 2 49 183 26 0 + 4 e 358 253 etot -8.6565E+01 mv 2 49 36 190 0 + 4 e 223 269 etot -8.6138E+01 mv 2 49 183 -58 0 + 4 e 360 256 etot -7.8121E+01 mv 2 49 200 -32 0 + 4 e 492 227 etot 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0 + -1 e 1 310 etot 1.3528E+20 mv 1 49 117 -107 0 + 4 e 143 286 etot -8.7121E+01 mv 2 49 59 78 0 c 59 0.8 0.0 + 4 e 321 263 etot -7.9164E+01 mv 2 49 124 13 0 + 4 e 416 273 etot -8.4280E+01 mv 2 49 167 74 0 + 4 e 432 272 etot -8.5905E+01 mv 2 49 167 117 0 + 4 e 305 276 etot -8.7216E+01 mv 2 49 38 104 0 + 4 e 266 295 etot -7.9308E+01 mv 2 49 157 -166 0 + 4 e 309 288 etot -8.7455E+01 mv 2 49 59 2 0 + 4 e 584 262 etot -7.7477E+01 mv 2 49 124 -71 0 + 4 e 255 299 etot -6.7985E+01 mv 2 49 51 -63 0 + 4 e 341 289 etot -8.3012E+01 mv 2 49 59 16 0 + 4 e 247 303 etot -7.5877E+01 mv 1 49 55 -2 0 + 4 e 207 300 etot -8.5337E+01 mv 2 49 51 -106 0 + 4 e 403 287 etot -7.6238E+01 mv 2 49 59 -150 0 + 4 e 438 284 etot -8.5108E+01 mv 2 49 180 26 0 + 4 e 245 308 etot -9.1994E+01 mv 1 49 117 -35 0 + 4 e 617 278 etot -8.1838E+01 mv 2 49 38 102 0 + 4 e 414 294 etot -8.2468E+01 mv 2 49 157 134 0 c 17 342.1 0.2 + 4 e 221 314 etot -8.4981E+01 mv 1 49 129 -172 0 + 4 e 403 296 etot -8.6399E+01 mv 2 49 51 -83 0 + 4 e 652 277 etot -8.4338E+01 mv 2 49 38 71 0 c 146 118.5 1.8 + 4 e 270 311 etot -8.4570E+01 mv 1 49 129 -185 0 + 4 e 226 315 etot -8.4981E+01 mv 1 49 129 -79 0 + 4 e 341 309 etot -9.0065E+01 mv 1 49 117 -147 0 + 4 e 236 318 etot -7.6401E+01 mv 1 49 135 -16 0 + 4 e 394 304 etot -8.5282E+01 mv 1 49 55 -58 0 + 4 e 537 292 etot -8.0944E+01 mv 2 49 157 -37 0 + 4 e 293 306 etot -9.1042E+01 mv 1 49 117 -3 0 c 117 100.1 0.1 + 4 e 299 320 etot -7.7720E+01 mv 1 49 135 -27 0 + 4 e 512 302 etot -4.5869E+01 mv 1 49 55 -30 0 + 4 e 201 325 etot -8.3659E+01 mv 1 49 165 -93 0 + 4 e 179 333 etot -6.9256E+01 mv 1 49 139 -160 0 + 4 e 348 317 etot -7.9237E+01 mv 1 49 135 -22 0 + 4 e 354 319 etot -6.7222E+01 mv 1 49 135 -110 0 + 4 e 267 316 etot -8.6053E+01 mv 1 49 135 -47 0 + 4 e 293 322 etot -6.0899E+01 mv 1 49 165 -176 0 + 4 e 200 330 etot -8.4382E+01 mv 1 49 44 -177 0 + 4 e 673 293 etot -8.6795E+01 mv 2 49 157 -32 0 + 4 e 435 298 etot -7.7567E+01 mv 2 49 51 -36 0 + 4 e 267 328 etot -8.3922E+01 mv 1 49 44 -39 0 + 4 e 654 297 etot -8.5469E+01 mv 2 49 51 151 0 + 4 e 389 305 etot -7.3817E+01 mv 1 49 55 -80 0 + 4 e 293 326 etot -8.4108E+01 mv 1 49 44 90 0 + 4 e 213 335 etot -8.5655E+01 mv 1 49 139 -194 0 + 4 e 419 321 etot -8.3658E+01 mv 1 49 165 -59 0 + 4 e 398 312 etot -7.7270E+01 mv 1 49 129 -164 0 + 4 e 687 301 etot -7.6834E+01 mv 1 49 55 -24 0 + 4 e 552 291 etot -8.0758E+01 mv 2 49 157 116 0 + 4 e 178 340 etot -8.7938E+01 mv 1 49 1 189 0 + 4 e 154 346 etot -8.9201E+01 mv 1 49 8 164 0 + 4 e 365 331 etot -8.3548E+01 mv 1 49 139 -80 0 + 4 e 132 348 etot -8.9201E+01 mv 1 49 8 22 0 + 4 e 190 341 etot -8.7383E+01 mv 1 49 174 92 0 + 4 e 399 327 etot -8.2583E+01 mv 1 49 44 89 0 + 4 e 190 343 etot -8.7383E+01 mv 1 49 174 92 0 + -1 e 1 365 etot 1.3528E+20 mv 1 49 124 -76 0 + 4 e 289 337 etot -8.7907E+01 mv 1 49 1 -141 0 + 4 e 312 336 etot -8.6265E+01 mv 1 49 1 -191 0 + 4 e 435 329 etot -7.6760E+01 mv 1 49 44 -146 0 + 4 e 417 332 etot -8.3549E+01 mv 1 49 139 195 0 + 4 e 282 339 etot -8.8115E+01 mv 1 49 1 60 0 + 4 e 172 351 etot -8.6335E+01 mv 1 49 36 135 0 + 4 e 165 353 etot -8.7772E+01 mv 1 49 36 171 0 + 4 e 326 344 etot -7.4762E+01 mv 1 49 174 -141 0 + 4 e 591 324 etot -7.0326E+01 mv 1 49 165 -136 0 + 4 e 186 352 etot -8.7772E+01 mv 1 49 36 -108 0 + 4 e 249 355 etot -8.7772E+01 mv 1 49 36 -130 0 + 4 e 390 342 etot -8.5634E+01 mv 1 49 174 46 0 + 4 e 309 350 etot -8.7630E+01 mv 1 49 8 -61 0 + 4 e 221 362 etot -8.8025E+01 mv 1 49 124 24 0 + 4 e 239 364 etot -8.7756E+01 mv 1 49 124 122 0 + 4 e 251 361 etot -8.7809E+01 mv 1 49 124 156 0 + 4 e 568 334 etot -7.9780E+01 mv 1 49 139 -134 0 + 4 e 460 347 etot -6.7829E+01 mv 1 49 8 -172 0 + 4 e 328 359 etot -8.7223E+01 mv 1 49 200 101 0 + 4 e 268 370 etot -8.6971E+01 mv 1 49 183 -194 0 + 4 e 253 372 etot -8.7722E+01 mv 1 49 167 25 0 + 4 e 672 313 etot -7.8780E+01 mv 1 49 129 -39 0 + 4 e 401 354 etot -8.7771E+01 mv 1 49 36 140 0 + 4 e 141 378 etot -8.5954E+01 mv 1 49 38 -119 0 + 4 e 363 363 etot -7.9502E+01 mv 1 49 124 -91 0 + 4 e 111 383 etot -8.7150E+01 mv 1 49 180 -6 0 + 4 e 353 367 etot -7.6646E+01 mv 1 49 183 -89 0 + 4 e 186 377 etot -6.6837E+01 mv 1 49 38 24 0 + 4 e 344 349 etot -7.9550E+01 mv 1 49 8 6 0 + 4 e 378 368 etot -8.6730E+01 mv 1 49 183 -26 0 + 4 e 334 371 etot -8.7721E+01 mv 1 49 167 140 0 + -1 e 1 397 etot 1.3528E+20 mv 1 49 51 -78 0 + 4 e 370 369 etot -7.8938E+01 mv 1 49 183 -78 0 + 4 e 606 323 etot -6.2977E+01 mv 1 49 165 -175 0 + 4 e 445 360 etot -7.9946E+01 mv 1 49 200 -75 0 + 4 e 304 374 etot -8.7722E+01 mv 1 49 167 89 0 + 4 e 238 379 etot -8.7216E+01 mv 1 49 38 172 0 + 4 e 151 385 etot -8.7150E+01 mv 1 49 180 13 0 + 4 e 210 381 etot -8.7150E+01 mv 1 49 180 166 0 + 4 e 393 373 etot -7.2064E+01 mv 1 49 167 -137 0 + 4 e 19 406 etot -8.4500E+01 mv 0 49 44 0 0 c 44 0.0 0.0 + 4 e 10 407 etot -8.8359E+01 mv 0 49 139 0 0 c 139 0.0 0.0 + 4 e 12 408 etot -8.8115E+01 mv 0 49 1 0 0 c 1 0.0 0.0 + 4 e 18 409 etot -8.7383E+01 mv 0 49 174 0 0 c 174 0.0 0.0 + 4 e 2 410 etot -8.9201E+01 mv 0 49 8 0 0 + 4 e 89 401 etot -8.5308E+01 mv 0 49 55 0 0 c 55 1.1 0.0 + 4 e 17 411 etot -8.7772E+01 mv 0 49 36 0 0 + 4 e 331 380 etot -7.8333E+01 mv 1 49 38 -68 0 + 4 e 246 376 etot -8.7120E+01 mv 1 49 38 -75 0 + 4 e 96 404 etot -8.6896E+01 mv 0 49 135 0 0 + 4 e 97 405 etot -8.3659E+01 mv 0 49 165 0 0 + 4 e 102 403 etot -8.4981E+01 mv 0 49 129 0 0 + 4 e 13 414 etot -8.7603E+01 mv 0 49 183 0 0 c 183 0.0 0.0 + 4 e 635 357 etot -8.3278E+01 mv 1 49 200 -91 0 +## N0 total= 23 close= 11 far= 0 %acc 47.8 +## N1 total= 97 close= 1 far= 0 %acc 1.0 +## N2 total= 100 close= 4 far= 0 %acc 4.0 +## N3 total= 0 close= 0 far= 0 %acc 0.0 +## N4 total= 0 close= 0 far= 0 %acc 0.0 +## N5 total= 0 close= 0 far= 0 %acc 0.0 +## N6 total= 200 close= 9 far= 1 %acc 5.0 +## N7 total= 0 close= 0 far= 0 %acc 0.0 +## N8 total= 0 close= 0 far= 0 %acc 0.0 +## N9 total= 0 close= 0 far= 0 %acc 0.0 +##N10 total= 0 close= 0 far= 0 %acc 0.0 +##N11 total= 0 close= 0 far= 0 %acc 0.0 +##N12 total= 0 close= 0 far= 0 %acc 0.0 +##N13 total= 0 close= 0 far= 0 %acc 0.0 +##N14 total= 0 close= 0 far= 0 %acc 0.0 +##N15 total= 0 close= 0 far= 0 %acc 0.0 +##N16 total= 0 close= 0 far= 0 %acc 0.0 +##N17 total= 0 close= 0 far= 0 %acc 0.0 +##N18 total= 0 close= 0 far= 0 %acc 0.0 + Time for refresh 50 0.27 + make_var : nseed= 20 ntry= 420 + Time for make trial 51 0.14 +Nonsetup time 101.29 sec, Eval/s = 64856.42 +Time for iter 51 1.73 sec, Eval/s = 65653.05 + UPDATING 420 + 4 e 231 391 etot -8.6797E+01 mv 1 49 157 142 0 + 4 e 293 384 etot -8.7150E+01 mv 1 49 180 -130 0 + 4 e 45 416 etot -8.7217E+01 mv 0 49 38 0 0 c 38 0.2 0.0 + 4 e 385 399 etot -8.6876E+01 mv 1 49 51 191 0 c 51 31.2 0.3 + 4 e 276 390 etot -8.7121E+01 mv 1 49 59 164 0 + 4 e 116 412 etot -8.7223E+01 mv 0 49 200 0 0 c 200 0.8 0.0 + 4 e 45 413 etot -8.8026E+01 mv 0 49 124 0 0 + 4 e 76 418 etot -8.7121E+01 mv 0 49 59 0 0 c 59 0.7 0.0 + 4 e 364 392 etot -7.1450E+01 mv 1 49 157 -40 0 + 4 e 449 387 etot -8.1773E+01 mv 1 49 59 70 0 + 4 e 790 375 etot -8.7514E+01 mv 1 49 167 68 0 c 96 203.2 0.6 + 4 e 394 382 etot -8.7149E+01 mv 1 49 180 -54 0 + 4 e 21 419 etot -8.6798E+01 mv 0 49 157 0 0 c 157 0.0 0.0 + 4 e 517 398 etot -8.4131E+01 mv 1 49 51 157 0 + 4 e 275 386 etot -7.4323E+01 mv 1 49 59 22 0 + 4 e 316 393 etot -8.6797E+01 mv 1 49 157 194 0 + 4 e 304 394 etot -8.1029E+01 mv 1 49 157 -155 0 + 4 e 34 420 etot -8.6595E+01 mv 0 49 51 0 0 + 4 e 638 366 etot -5.7315E+01 mv 1 49 183 -129 0 + 4 e 139 402 etot -9.0931E+01 mv 0 49 117 0 0 + 4 e 204 396 etot -8.6595E+01 mv 1 49 51 -7 0 + 4 e 390 389 etot -8.7119E+01 mv 1 49 59 67 0 + 4 e 44 417 etot -8.7150E+01 mv 0 49 180 0 0 + 4 e 46 415 etot -8.7723E+01 mv 0 49 167 0 0 c 167 0.1 0.0 + 4 e 528 388 etot -8.9686E+01 mv 1 49 59 8 0 + 4 e 492 395 etot -8.1928E+01 mv 1 49 157 117 0 + 4 e 658 358 etot -8.4355E+01 mv 1 49 200 -126 0 + 4 e 535 338 etot -8.4747E+01 mv 1 49 1 96 0 + 4 e 299 400 etot -8.6595E+01 mv 1 49 51 -123 0 + 4 e 342 356 etot -8.7222E+01 mv 1 49 200 126 0 + 4 e 487 345 etot -8.7382E+01 mv 1 49 174 -141 0 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e 387 6 etot -8.1682E+01 mv 6 50 17 189 0 + 4 e 205 36 etot -8.6262E+01 mv 6 50 122 96 0 + 4 e 358 10 etot -8.1682E+01 mv 6 50 17 190 0 + 4 e 387 16 etot -8.0161E+01 mv 6 50 37 14 0 + 4 e 86 50 etot -8.5860E+01 mv 6 50 135 196 0 c 196 0.9 0.0 + 4 e 452 13 etot -8.1385E+01 mv 6 50 37 72 0 + 4 e 402 23 etot -7.9737E+01 mv 6 50 117 71 0 + -1 e 1 58 etot 1.3528E+20 mv 6 50 146 139 0 + 4 e 427 19 etot -8.0160E+01 mv 6 50 37 189 0 + 4 e 351 33 etot -8.8050E+01 mv 6 50 122 177 0 c 122 2.0 0.0 + 4 e 416 11 etot -8.2310E+01 mv 6 50 37 79 0 + 4 e 196 47 etot -8.8087E+01 mv 6 50 135 86 0 + 4 e 233 42 etot -7.9576E+01 mv 6 50 135 50 0 + 4 e 500 20 etot -8.3195E+01 mv 6 50 37 199 0 c 37 51.8 0.8 + 4 e 251 46 etot -8.4546E+01 mv 6 50 135 145 0 + 4 e 221 45 etot -8.6893E+01 mv 6 50 135 7 0 + 4 e 227 43 etot -7.5448E+01 mv 6 50 135 16 0 + 4 e 326 44 etot -7.5990E+01 mv 6 50 135 23 0 + 4 e 299 38 etot -7.3711E+01 mv 6 50 122 61 0 + 4 e 183 54 etot -7.0396E+01 mv 6 50 146 73 0 + 4 e 373 39 etot -7.5393E+01 mv 6 50 122 61 0 + 4 e 196 48 etot -8.7039E+01 mv 6 50 135 98 0 + -1 e 1 73 etot 1.3528E+20 mv 6 50 179 84 0 + 4 e 657 5 etot -8.0508E+01 mv 6 50 17 81 0 + 4 e 12 71 etot -8.5091E+01 mv 6 50 179 83 0 c 83 0.0 0.0 + 4 e 193 53 etot -6.5577E+01 mv 6 50 146 3 0 + 4 e 191 57 etot -8.4339E+01 mv 6 50 146 199 0 + 4 e 582 8 etot -8.4649E+01 mv 6 50 17 165 0 c 17 235.6 2.2 + -1 e 1 79 etot 1.3528E+20 mv 6 50 179 134 0 + 4 e 574 25 etot -8.6443E+01 mv 6 50 117 130 0 + -1 e 1 81 etot 1.3528E+20 mv 6 50 180 167 0 + -1 e 1 82 etot 1.3528E+20 mv 6 50 180 52 0 + 4 e 215 59 etot -8.0800E+01 mv 6 50 146 23 0 + 4 e 582 3 etot -8.3291E+01 mv 6 50 17 184 0 + -1 e 1 85 etot 3.7607E+24 mv 6 50 180 39 0 + 4 e 635 32 etot -7.7080E+01 mv 6 50 122 58 0 + 4 e 266 55 etot -7.3173E+01 mv 6 50 146 97 0 + 4 e 250 62 etot -7.1681E+01 mv 6 50 165 86 0 + 4 e 412 51 etot -8.3414E+01 mv 6 50 146 76 0 + 4 e 411 52 etot -7.2770E+01 mv 6 50 146 55 0 + 4 e 635 24 etot -8.2357E+01 mv 6 50 117 88 0 + 4 e 560 34 etot -8.5234E+01 mv 6 50 122 100 0 f 34 373.2 3.3 + 4 e 401 41 etot -8.3371E+01 mv 6 50 135 102 0 + 4 e 325 49 etot -8.3477E+01 mv 6 50 135 87 0 c 87 72.6 1.2 + -1 e 1 95 etot 1.3528E+20 mv 6 50 77 155 0 + 4 e 462 37 etot -8.2669E+01 mv 6 50 122 87 0 + 4 e 303 65 etot -7.1122E+01 mv 6 50 165 123 0 + 4 e 64 89 etot -8.2244E+01 mv 6 50 180 63 0 c 63 0.2 0.0 + 4 e 16 99 etot -8.4391E+01 mv 6 50 77 194 0 c 194 0.0 0.0 + 4 e 322 64 etot -7.7279E+01 mv 6 50 165 78 0 + 4 e 327 67 etot -7.1102E+01 mv 6 50 165 19 0 + 4 e 269 69 etot -8.1327E+01 mv 6 50 165 97 0 + 4 e 236 78 etot -8.4467E+01 mv 6 50 179 131 0 c 179 1.7 0.0 + 4 e 335 66 etot -7.5544E+01 mv 6 50 165 85 0 + 4 e 380 63 etot -8.1455E+01 mv 6 50 165 61 0 + 4 e 293 61 etot -7.0113E+01 mv 6 50 165 197 0 + 4 e 299 77 etot -8.4468E+01 mv 6 50 179 100 0 c 179 2.9 0.0 + 4 e 529 56 etot -6.8115E+01 mv 6 50 146 176 0 + -1 e 1 109 etot 1.3528E+20 mv 6 50 24 34 0 + -1 e 1 108 etot 1.3528E+20 mv 6 50 24 75 0 + 4 e 337 74 etot -8.6360E+01 mv 6 50 179 25 0 + -1 e 1 112 etot 1.3528E+20 mv 6 50 139 160 0 + 4 e 338 72 etot -8.0695E+01 mv 6 50 179 164 0 + 4 e 332 75 etot -8.6185E+01 mv 6 50 179 134 0 + 4 e 262 70 etot -7.5719E+01 mv 6 50 165 100 0 + -1 e 1 116 etot 1.3528E+20 mv 6 50 139 21 0 + 4 e 364 76 etot -8.4502E+01 mv 6 50 179 158 0 c 179 46.8 0.0 + 4 e 223 86 etot -8.7279E+01 mv 6 50 180 33 0 c 180 1.6 0.0 + -1 e 1 119 etot 1.3528E+20 mv 6 50 139 167 0 + 4 e 245 90 etot -8.7278E+01 mv 6 50 180 142 0 + 4 e 377 80 etot -8.2907E+01 mv 6 50 179 192 0 + 4 e 326 68 etot -7.9307E+01 mv 6 50 165 146 0 + 4 e 400 84 etot -8.5777E+01 mv 6 50 180 52 0 + -1 e 1 124 etot 1.3528E+20 mv 6 50 161 55 0 + 4 e 222 103 etot -8.2729E+01 mv 6 50 24 21 0 + 4 e 588 60 etot -7.6439E+01 mv 6 50 146 103 0 + 4 e 358 88 etot -7.1207E+01 mv 6 50 180 170 0 + 4 e 355 91 etot -8.3878E+01 mv 6 50 77 153 0 + -1 e 1 129 etot 1.3528E+20 mv 6 50 161 93 0 + 4 e 248 102 etot -9.0746E+01 mv 6 50 24 130 0 + 4 e 170 115 etot -7.4915E+01 mv 6 50 139 107 0 + 4 e 233 106 etot -8.9363E+01 mv 6 50 24 46 0 + 4 e 258 104 etot -8.9544E+01 mv 6 50 24 119 0 + 4 e 229 111 etot -7.5282E+01 mv 6 50 139 29 0 + 4 e 352 98 etot -8.3103E+01 mv 6 50 77 50 0 + 4 e 343 100 etot -7.5979E+01 mv 6 50 77 34 0 + 4 e 341 101 etot -8.9324E+01 mv 6 50 24 33 0 + 4 e 196 120 etot -8.8359E+01 mv 6 50 139 158 0 + 4 e 182 121 etot -8.8445E+01 mv 6 50 161 177 0 + 4 e 276 110 etot -7.3426E+01 mv 6 50 24 80 0 + 4 e 263 114 etot -8.7276E+01 mv 6 50 139 161 0 + 4 e 273 117 etot -8.2126E+01 mv 6 50 139 177 0 + 4 e 230 107 etot -7.3150E+01 mv 6 50 24 189 0 + 4 e 268 97 etot -7.5181E+01 mv 6 50 77 12 0 + 4 e 227 122 etot -8.8199E+01 mv 6 50 161 40 0 + 4 e 303 92 etot -7.9257E+01 mv 6 50 77 200 0 + 4 e 277 118 etot -8.4093E+01 mv 6 50 139 64 0 + -1 e 1 148 etot 1.3528E+20 mv 6 50 124 180 0 + 4 e 181 125 etot -7.2714E+01 mv 6 50 161 137 0 + -1 e 1 150 etot 3.6572E+22 mv 6 50 124 55 0 + 4 e 433 105 etot -7.6305E+01 mv 6 50 24 70 0 + 4 e 391 113 etot -7.8771E+01 mv 6 50 139 57 0 + 4 e 237 130 etot -6.6113E+01 mv 6 50 161 163 0 + 4 e 425 87 etot -7.6528E+01 mv 6 50 180 127 0 + 4 e 566 93 etot -8.3714E+01 mv 6 50 77 187 0 + 4 e 318 131 etot -7.3547E+01 mv 6 50 1 197 0 + 4 e 263 136 etot -7.2709E+01 mv 6 50 1 95 0 + 4 e 305 132 etot -7.2023E+01 mv 6 50 1 72 0 + 4 e 315 128 etot -8.1955E+01 mv 6 50 161 55 0 + 4 e 127 152 etot -7.7314E+01 mv 6 50 36 121 0 + -1 e 1 161 etot 1.3528E+20 mv 6 50 174 66 0 + -1 e 1 162 etot 1.3528E+20 mv 6 50 174 165 0 + 4 e 355 126 etot -7.9667E+01 mv 6 50 161 60 0 + 4 e 336 133 etot -8.7938E+01 mv 6 50 1 33 0 + 4 e 476 94 etot -8.6616E+01 mv 6 50 77 192 0 + 4 e 241 123 etot -8.5716E+01 mv 6 50 161 172 0 + 4 e 211 151 etot -7.1699E+01 mv 6 50 36 174 0 + 4 e 226 149 etot -8.8025E+01 mv 6 50 124 106 0 + -1 e 1 169 etot 1.3528E+20 mv 6 50 174 193 0 + 4 e 310 140 etot -7.7643E+01 mv 6 50 1 200 0 + 4 e 345 137 etot -8.4758E+01 mv 6 50 1 65 0 + -1 e 1 172 etot 1.3528E+20 mv 6 50 41 76 0 + 4 e 483 96 etot -7.9575E+01 mv 6 50 77 98 0 + 4 e 140 156 etot -8.7772E+01 mv 6 50 36 76 0 + 4 e 533 83 etot -8.4456E+01 mv 6 50 180 79 0 + 4 e 432 127 etot -8.2271E+01 mv 6 50 161 170 0 + -1 e 1 176 etot 1.3528E+20 mv 6 50 41 56 0 + 4 e 392 141 etot -7.7137E+01 mv 6 50 124 70 0 + 4 e 251 153 etot -8.7772E+01 mv 6 50 36 72 0 + 4 e 423 139 etot -8.7938E+01 mv 6 50 1 114 0 + 4 e 219 145 etot -8.8025E+01 mv 6 50 124 88 0 + 4 e 272 154 etot -8.2902E+01 mv 6 50 36 189 0 + 4 e 129 170 etot -8.6705E+01 mv 6 50 174 111 0 + 4 e 397 143 etot -8.5738E+01 mv 6 50 124 37 0 + 4 e 231 158 etot -8.5756E+01 mv 6 50 36 156 0 + 4 e 143 177 etot -8.6264E+01 mv 6 50 41 107 0 c 107 0.8 0.0 + -1 e 1 187 etot 1.3528E+20 mv 6 50 59 143 0 + -1 e 1 188 etot 1.3528E+20 mv 6 50 59 72 0 + 4 e 251 159 etot -8.7771E+01 mv 6 50 36 151 0 + 4 e 129 165 etot -8.5211E+01 mv 6 50 174 143 0 + 4 e 69 185 etot -8.4760E+01 mv 6 50 59 65 0 c 65 0.3 0.0 + -1 e 1 192 etot 1.3528E+20 mv 6 50 162 168 0 + 4 e 465 146 etot -8.2442E+01 mv 6 50 124 142 0 + 4 e 214 171 etot -8.4820E+01 mv 6 50 41 143 0 + 4 e 283 163 etot -8.5228E+01 mv 6 50 174 78 0 + 4 e 320 157 etot -8.0595E+01 mv 6 50 36 128 0 + -1 e 1 197 etot 1.3528E+20 mv 6 50 162 134 0 + 4 e 338 144 etot -7.9733E+01 mv 6 50 124 31 0 + 4 e 582 138 etot -7.5960E+01 mv 6 50 1 116 0 + 4 e 315 160 etot -8.7643E+01 mv 6 50 36 84 0 + 4 e 231 175 etot -8.3395E+01 mv 6 50 41 54 0 + 4 e 616 135 etot -8.1641E+01 mv 6 50 1 120 0 + 4 e 330 147 etot -7.5848E+01 mv 6 50 124 38 0 + -1 e 1 204 etot 1.3528E+20 mv 2 50 17 -88 0 + 4 e 182 180 etot -8.7381E+01 mv 6 50 41 51 0 + 4 e 604 142 etot -7.2200E+01 mv 6 50 124 31 0 + 4 e 698 134 etot -9.2229E+01 mv 6 50 1 26 0 + 4 e 326 173 etot -8.0810E+01 mv 6 50 41 91 0 + -1 e 1 208 etot 2.8839E+22 mv 2 50 37 -118 0 + 4 e 187 186 etot -8.5287E+01 mv 6 50 59 124 0 + -1 e 1 211 etot 1.3528E+20 mv 2 50 117 -28 0 + 4 e 262 179 etot -8.6679E+01 mv 6 50 41 193 0 + 4 e 353 155 etot -8.3965E+01 mv 6 50 36 106 0 + 4 e 239 167 etot -8.7383E+01 mv 6 50 174 195 0 + -1 e 1 214 etot 1.3528E+20 mv 2 50 117 -146 0 + 4 e 247 174 etot -8.7380E+01 mv 6 50 41 70 0 + 4 e 158 194 etot -8.6806E+01 mv 6 50 162 15 0 + 4 e 249 184 etot -8.7877E+01 mv 6 50 59 6 0 + 4 e 262 183 etot -8.3899E+01 mv 6 50 59 99 0 + 4 e 199 191 etot -8.6806E+01 mv 6 50 162 156 0 + 4 e 225 190 etot -8.6823E+01 mv 6 50 59 93 0 + 4 e 311 181 etot -7.8788E+01 mv 6 50 59 129 0 + 4 e 184 195 etot -8.6806E+01 mv 6 50 162 189 0 + 4 e 313 166 etot -8.2263E+01 mv 6 50 174 87 0 + 4 e 167 202 etot -5.4542E+01 mv 2 50 17 -111 0 + 4 e 240 178 etot -8.7380E+01 mv 6 50 41 6 0 + 4 e 480 168 etot -7.8882E+01 mv 6 50 174 28 0 + 4 e 213 201 etot -8.2470E+01 mv 2 50 17 -79 0 + 4 e 226 200 etot -8.6405E+01 mv 6 50 162 28 0 + 4 e 300 193 etot -7.8438E+01 mv 6 50 162 30 0 + 4 e 299 196 etot -7.8417E+01 mv 6 50 162 108 0 + 4 e 510 164 etot -7.9789E+01 mv 6 50 174 68 0 + 4 e 160 221 etot -8.7039E+01 mv 2 50 135 -44 0 c 135 1.1 0.0 + -1 e 1 234 etot 1.3528E+20 mv 2 50 165 -30 0 + 4 e 272 212 etot -6.2180E+01 mv 2 50 117 -72 0 + 4 e 271 199 etot -8.5322E+01 mv 6 50 162 189 0 + -1 e 1 237 etot 1.3528E+20 mv 2 50 179 -97 0 + 4 e 390 203 etot -5.5589E+01 mv 2 50 17 -196 0 + -1 e 1 239 etot 6.1185E+23 mv 2 50 179 -108 0 + 4 e 308 210 etot -7.6848E+01 mv 2 50 37 -43 0 + 4 e 354 182 etot -7.8454E+01 mv 6 50 59 36 0 + 4 e 452 198 etot -8.6709E+01 mv 6 50 162 140 0 + 4 e 166 232 etot -4.8419E+01 mv 2 50 165 -66 0 + 4 e 315 218 etot -7.6438E+01 mv 2 50 122 -75 0 + 4 e 154 235 etot -8.3701E+01 mv 2 50 165 -162 0 c 165 3.9 0.0 + 4 e 441 206 etot -8.0046E+01 mv 2 50 37 -173 0 + -1 e 1 247 etot 1.3528E+20 mv 2 50 77 -154 0 + 4 e 351 220 etot -8.8080E+01 mv 2 50 122 -137 0 + 4 e 323 224 etot -8.1534E+01 mv 2 50 135 -140 0 + 4 e 435 207 etot -8.0304E+01 mv 2 50 37 -113 0 + 4 e 580 189 etot -8.9685E+01 mv 6 50 59 132 0 + 4 e 394 219 etot -8.1522E+01 mv 2 50 122 -104 0 + -1 e 1 253 etot 1.3528E+20 mv 2 50 24 -191 0 + 4 e 371 223 etot -7.4227E+01 mv 2 50 135 -107 0 + 4 e 363 226 etot -7.6055E+01 mv 2 50 146 -196 0 + -1 e 1 256 etot 1.3528E+20 mv 2 50 139 -13 0 + 4 e 252 230 etot -7.2268E+01 mv 2 50 146 -90 0 + 4 e 240 227 etot -6.0672E+01 mv 2 50 146 -17 0 + 4 e 432 222 etot -6.4379E+01 mv 2 50 135 -140 0 + 4 e 498 209 etot -8.2511E+01 mv 2 50 37 -78 0 + 4 e 199 240 etot -8.4468E+01 mv 2 50 179 -159 0 + 4 e 172 243 etot -7.8039E+01 mv 2 50 180 -82 0 + 4 e 408 229 etot -6.4856E+01 mv 2 50 146 -79 0 + 4 e 321 215 etot -8.7519E+01 mv 2 50 117 -200 0 c 96 4.5 0.0 + 4 e 525 213 etot -7.9004E+01 mv 2 50 117 -72 0 + 4 e 351 233 etot -7.8090E+01 mv 2 50 165 -85 0 + 4 e 207 245 etot -8.5842E+01 mv 2 50 180 -164 0 + 4 e 374 228 etot -7.7592E+01 mv 2 50 146 -46 0 + 4 e 386 216 etot -8.4269E+01 mv 2 50 122 -73 0 + 4 e 187 250 etot -8.3879E+01 mv 2 50 77 81 0 + 4 e 329 236 etot -7.6762E+01 mv 2 50 179 -71 0 + 4 e 380 225 etot -7.7826E+01 mv 2 50 135 -85 0 + 4 e 258 248 etot -8.2238E+01 mv 2 50 77 -43 0 + -1 e 1 274 etot 1.3528E+20 mv 2 50 124 -123 0 + 4 e 328 241 etot -8.5908E+01 mv 2 50 180 -167 0 + -1 e 1 276 etot 1.3528E+20 mv 2 50 36 -108 0 + 4 e 148 260 etot -8.8359E+01 mv 2 50 139 140 0 + 4 e 446 217 etot -5.3095E+01 mv 2 50 122 -35 0 + 4 e 312 244 etot -7.6278E+01 mv 2 50 180 -55 0 + 4 e 284 249 etot -8.3183E+01 mv 2 50 77 14 0 + 4 e 237 255 etot -9.0746E+01 mv 2 50 24 90 0 + 4 e 291 254 etot -7.6565E+01 mv 2 50 24 -188 0 + -1 e 1 283 etot 1.3528E+20 mv 2 50 174 -125 0 + 4 e 499 205 etot -7.9305E+01 mv 2 50 17 -36 0 + 4 e 326 252 etot -8.3731E+01 mv 2 50 24 68 0 + 4 e 334 251 etot -9.0746E+01 mv 2 50 24 36 0 + 4 e 189 269 etot -7.7022E+01 mv 2 50 1 199 0 + 4 e 391 246 etot -6.8865E+01 mv 2 50 77 137 0 + 4 e 622 231 etot -7.8632E+01 mv 2 50 165 -29 0 + 4 e 151 277 etot -8.7772E+01 mv 2 50 36 -100 0 + 4 e 257 266 etot -7.2829E+01 mv 2 50 1 32 0 + 4 e 247 268 etot -7.6199E+01 mv 2 50 1 -114 0 + 4 e 310 242 etot -8.6715E+01 mv 2 50 180 -154 0 + 4 e 340 262 etot -6.0010E+01 mv 2 50 161 -198 0 + 4 e 158 282 etot -7.4085E+01 mv 2 50 174 134 0 + 4 e 265 278 etot -7.2709E+01 mv 2 50 36 -61 0 + 4 e 311 272 etot -8.8025E+01 mv 2 50 124 14 0 + -1 e 1 297 etot 1.3528E+20 mv 2 50 162 126 0 + 4 e 255 280 etot -8.7772E+01 mv 2 50 36 -153 0 + -1 e 1 300 etot 1.3528E+20 mv 2 50 162 -82 0 + 4 e 383 264 etot -8.8445E+01 mv 2 50 161 42 0 + 4 e 255 265 etot -8.5515E+01 mv 2 50 161 -48 0 + -1 e 1 302 etot 1.3528E+20 mv 1 50 17 -76 0 + -1 e 1 303 etot 1.2452E+24 mv 1 50 17 -98 0 + 4 e 192 279 etot -7.6216E+01 mv 2 50 36 160 0 + -1 e 1 306 etot 1.3528E+20 mv 1 50 37 -116 0 + 4 e 510 257 etot -7.7635E+01 mv 2 50 139 146 0 + 4 e 218 273 etot -8.8025E+01 mv 2 50 124 191 0 + 4 e 173 289 etot -8.6975E+01 mv 2 50 41 189 0 + 4 e 477 238 etot -7.9034E+01 mv 2 50 179 -144 0 + 4 e 477 261 etot -8.8443E+01 mv 2 50 161 156 0 + 4 e 348 275 etot -8.8025E+01 mv 2 50 124 138 0 + 4 e 415 271 etot -7.3748E+01 mv 2 50 124 -107 0 + 4 e 231 288 etot -8.6974E+01 mv 2 50 41 165 0 + 4 e 168 295 etot -8.7121E+01 mv 2 50 59 34 0 + 4 e 585 258 etot -8.5053E+01 mv 2 50 139 81 0 + 4 e 187 296 etot -7.7655E+01 mv 2 50 162 -185 0 + 4 e 131 298 etot -8.6976E+01 mv 2 50 162 186 0 + 4 e 375 284 etot -7.5613E+01 mv 2 50 174 67 0 + 4 e 604 263 etot -7.8308E+01 mv 2 50 161 182 0 + -1 e 1 321 etot 1.3528E+20 mv 1 50 135 -197 0 + 4 e 262 285 etot -8.7184E+01 mv 2 50 174 -131 0 + 4 e 342 290 etot -8.6328E+01 mv 2 50 41 -166 0 + 4 e 199 310 etot -6.9406E+01 mv 1 50 37 -65 0 + 4 e 627 267 etot -8.2262E+01 mv 2 50 1 76 0 + 4 e 371 293 etot -8.2077E+01 mv 2 50 59 -177 0 + 4 e 446 286 etot -8.4611E+01 mv 2 50 41 13 0 + 4 e 257 299 etot -8.6976E+01 mv 2 50 162 -112 0 + 4 e 438 287 etot -8.2011E+01 mv 2 50 41 31 0 + 4 e 262 301 etot -8.2469E+01 mv 1 50 17 -86 0 + 4 e 182 316 etot -8.8051E+01 mv 1 50 122 -50 0 c 122 3.6 0.0 + 4 e 551 281 etot -7.8375E+01 mv 2 50 174 80 0 + 4 e 278 294 etot -8.6791E+01 mv 2 50 59 67 0 + -1 e 1 334 etot 1.3528E+20 mv 1 50 165 -107 0 + 4 e 290 308 etot -7.2041E+01 mv 1 50 37 -179 0 + 4 e 462 270 etot -8.2454E+01 mv 2 50 1 -52 0 + 4 e 228 305 etot -8.2470E+01 mv 1 50 17 -139 0 + -1 e 1 338 etot 1.3528E+20 mv 1 50 179 -16 0 + 4 e 575 259 etot -6.9855E+01 mv 2 50 139 -130 0 + 4 e 156 325 etot -7.4790E+01 mv 1 50 135 -193 0 + 4 e 252 309 etot -7.1469E+01 mv 1 50 37 -133 0 + 4 e 518 291 etot -8.7119E+01 mv 2 50 59 189 0 + 4 e 270 319 etot -6.9707E+01 mv 1 50 122 -154 0 + 4 e 367 312 etot -7.1480E+01 mv 1 50 117 -86 0 + 4 e 262 320 etot -8.7644E+01 mv 1 50 122 -171 0 + 4 e 362 314 etot -8.4393E+01 mv 1 50 117 -143 0 + 4 e 443 304 etot -7.0815E+01 mv 1 50 17 -10 0 + 4 e 220 329 etot -7.3129E+01 mv 1 50 146 -119 0 + 4 e 266 324 etot -8.4290E+01 mv 1 50 135 -99 0 + 8 e 313 322 etot -6.3993E+01 mv 1 50 135 -133 0 + 4 e 654 292 etot -8.2567E+01 mv 2 50 59 160 0 + 4 e 305 332 etot -5.5863E+01 mv 1 50 165 -93 0 + -1 e 1 353 etot 1.3528E+20 mv 1 50 24 -109 0 + 4 e 160 345 etot -8.6855E+01 mv 1 50 180 -26 0 + 4 e 328 328 etot -7.5293E+01 mv 1 50 146 -62 0 + 4 e 384 307 etot -7.4594E+01 mv 1 50 37 -5 0 + -1 e 1 356 etot 1.3528E+20 mv 1 50 139 -150 0 + 4 e 531 313 etot -8.7403E+01 mv 1 50 117 -83 0 + 4 e 523 315 etot -7.6807E+01 mv 1 50 117 -84 0 + 4 e 149 348 etot -8.3879E+01 mv 1 50 77 70 0 + 4 e 216 341 etot -8.7278E+01 mv 1 50 180 -46 0 + 4 e 366 326 etot -8.4338E+01 mv 1 50 146 -125 0 + 4 e 355 331 etot -8.3468E+01 mv 1 50 165 -49 0 + 4 e 384 311 etot -8.9136E+01 mv 1 50 117 -64 0 + 4 e 407 330 etot -8.4337E+01 mv 1 50 146 -31 0 + 4 e 272 344 etot -8.7130E+01 mv 1 50 180 -28 0 + 4 e 202 342 etot -8.6855E+01 mv 1 50 180 -165 0 + 4 e 181 352 etot -9.0747E+01 mv 1 50 24 96 0 + 4 e 267 346 etot -8.3878E+01 mv 1 50 77 154 0 + 4 e 267 337 etot -8.4468E+01 mv 1 50 179 -194 0 + 4 e 122 361 etot -6.3521E+01 mv 1 50 161 -14 0 + 4 e 635 317 etot -8.6172E+01 mv 1 50 122 -24 0 + 4 e 353 343 etot -7.3368E+01 mv 1 50 180 -169 0 + 4 e 463 336 etot -8.0650E+01 mv 1 50 179 -71 0 + 4 e 289 340 etot -8.4478E+01 mv 1 50 179 -25 0 + 4 e 313 350 etot -8.3878E+01 mv 1 50 77 125 0 + 4 e 544 327 etot -8.4234E+01 mv 1 50 146 -47 0 + 4 e 502 333 etot -8.1022E+01 mv 1 50 165 -49 0 + -1 e 1 379 etot 1.3528E+20 mv 1 50 36 12 0 + 4 e 236 355 etot -9.0747E+01 mv 1 50 24 62 0 + 4 e 358 349 etot -8.3184E+01 mv 1 50 77 148 0 + -1 e 1 382 etot 1.3528E+20 mv 1 50 174 185 0 + 4 e 390 347 etot -8.2460E+01 mv 1 50 77 -85 0 + 4 e 743 318 etot -8.2816E+01 mv 1 50 122 -157 0 + 4 e 448 323 etot -7.8197E+01 mv 1 50 135 -171 0 + 4 e 368 339 etot -7.2648E+01 mv 1 50 179 -163 0 + 4 e 285 358 etot -8.8358E+01 mv 1 50 139 81 0 + 4 e 269 360 etot -8.7276E+01 mv 1 50 139 195 0 + 4 e 218 366 etot -8.8115E+01 mv 1 50 1 156 0 + 4 e 276 363 etot -7.6553E+01 mv 1 50 161 186 0 + -1 e 1 391 etot 1.3528E+20 mv 1 50 59 126 0 + 4 e 199 369 etot -8.8115E+01 mv 1 50 1 -65 0 + 4 e 278 364 etot -8.7713E+01 mv 1 50 161 -55 0 + 4 e 322 359 etot -8.5038E+01 mv 1 50 139 -45 0 + 4 e 210 370 etot -8.8115E+01 mv 1 50 1 89 0 + 4 e 146 380 etot -8.7772E+01 mv 1 50 36 -109 0 + -1 e 1 397 etot 1.3528E+20 mv 1 50 162 184 0 + 4 e 452 335 etot -7.6711E+01 mv 1 50 165 -62 0 + 4 e 490 351 etot -9.0744E+01 mv 1 50 24 -66 0 + 4 e 438 354 etot -7.7832E+01 mv 1 50 24 43 0 + 4 e 251 365 etot -8.8445E+01 mv 1 50 161 -36 0 + 4 e 202 381 etot -8.7183E+01 mv 1 50 174 -81 0 + 4 e 310 373 etot -8.6218E+01 mv 1 50 124 -35 0 + 4 e 464 362 etot -7.5363E+01 mv 1 50 161 -35 0 + 4 e 323 374 etot -8.8025E+01 mv 1 50 124 30 0 + 4 e 235 385 etot -8.4096E+01 mv 1 50 174 -116 0 + 4 e 200 376 etot -8.7772E+01 mv 1 50 36 15 0 + 4 e 229 388 etot -8.7380E+01 mv 1 50 41 -78 0 + 4 e 307 375 etot -8.8025E+01 mv 1 50 124 41 0 + 4 e 111 401 etot -8.2470E+01 mv 0 50 17 0 0 + 4 e 264 383 etot -8.6945E+01 mv 1 50 174 -156 0 + 4 e 178 396 etot -8.6976E+01 mv 1 50 162 96 0 + 4 e 2 412 etot -8.8359E+01 mv 0 50 139 0 0 + 4 e 10 414 etot -8.8115E+01 mv 0 50 1 0 0 c 1 0.0 0.0 + 4 e 13 411 etot -9.0747E+01 mv 0 50 24 0 0 c 24 0.0 0.0 + 4 e 10 415 etot -8.8026E+01 mv 0 50 124 0 0 c 124 0.0 0.0 + 4 e 11 416 etot -8.7772E+01 mv 0 50 36 0 0 c 36 0.0 0.0 + 4 e 25 413 etot -8.8445E+01 mv 0 50 161 0 0 c 161 0.0 0.0 + 4 e 14 417 etot -8.7383E+01 mv 0 50 174 0 0 c 174 0.0 0.0 +## N0 total= 17 close= 11 far= 0 %acc 64.7 +## N1 total= 103 close= 3 far= 0 %acc 2.9 +## N2 total= 100 close= 3 far= 0 %acc 3.0 +## N3 total= 0 close= 0 far= 0 %acc 0.0 +## N4 total= 0 close= 0 far= 0 %acc 0.0 +## N5 total= 0 close= 0 far= 0 %acc 0.0 +## N6 total= 200 close= 19 far= 1 %acc 10.0 +## N7 total= 0 close= 0 far= 0 %acc 0.0 +## N8 total= 0 close= 0 far= 0 %acc 0.0 +## N9 total= 0 close= 0 far= 0 %acc 0.0 +##N10 total= 0 close= 0 far= 0 %acc 0.0 +##N11 total= 0 close= 0 far= 0 %acc 0.0 +##N12 total= 0 close= 0 far= 0 %acc 0.0 +##N13 total= 0 close= 0 far= 0 %acc 0.0 +##N14 total= 0 close= 0 far= 0 %acc 0.0 +##N15 total= 0 close= 0 far= 0 %acc 0.0 +##N16 total= 0 close= 0 far= 0 %acc 0.0 +##N17 total= 0 close= 0 far= 0 %acc 0.0 +##N18 total= 0 close= 0 far= 0 %acc 0.0 + Time for refresh 51 0.26 + make_var : nseed= 20 ntry= 420 + Time for make trial 52 0.05 +Nonsetup time 103.07 sec, Eval/s = 64944.43 +Time for iter 52 1.78 sec, Eval/s = 69960.02 + UPDATING 420 + 4 e 52 410 etot -8.3879E+01 mv 0 50 77 0 0 c 77 0.2 0.0 + 4 e 371 377 etot -8.3406E+01 mv 1 50 36 76 0 + 4 e 136 407 etot -8.3702E+01 mv 0 50 165 0 0 c 165 1.4 0.0 + 4 e 536 384 etot -7.3615E+01 mv 1 50 174 -86 0 + 4 e 45 420 etot -8.6976E+01 mv 0 50 162 0 0 c 162 0.2 0.0 + 4 e 385 398 etot -8.0686E+01 mv 1 50 162 -107 0 + 4 e 565 394 etot -7.8434E+01 mv 1 50 59 21 0 + 4 e 494 378 etot -7.6990E+01 mv 1 50 36 -3 0 + 4 e 266 400 etot -7.4506E+01 mv 1 50 162 56 0 + 4 e 42 419 etot -8.7121E+01 mv 0 50 59 0 0 c 59 0.6 0.0 + 4 e 109 403 etot -9.1042E+01 mv 0 50 117 0 0 c 117 0.9 0.0 + 4 e 490 392 etot -8.2396E+01 mv 1 50 59 -33 0 + 4 e 146 406 etot -8.4340E+01 mv 0 50 146 0 0 + -1 e 1 6 etot 1.3528E+20 mv 6 51 17 197 0 + 4 e 400 393 etot -8.4559E+01 mv 1 50 59 -139 0 + 4 e 81 405 etot -8.7040E+01 mv 0 50 135 0 0 c 135 0.7 0.0 + 4 e 588 372 etot -8.8096E+01 mv 1 50 124 -111 0 c 124 19.6 0.1 + 4 e 394 395 etot -7.6167E+01 mv 1 50 59 4 0 + 4 e 57 418 etot -8.7381E+01 mv 0 50 41 0 0 c 41 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4 -198 0 + 4 e 446 267 etot -8.5195E+01 mv 2 51 101 16 0 + 4 e 436 270 etot -7.6037E+01 mv 2 51 101 57 0 + 4 e 307 268 etot -7.7221E+01 mv 2 51 101 -88 0 + -1 e 1 314 etot 1.3528E+20 mv 1 51 37 -50 0 + 4 e 317 282 etot -8.4250E+01 mv 2 51 41 -12 0 + 4 e 291 285 etot -8.4196E+01 mv 2 51 41 -101 0 + 4 e 203 287 etot -6.6197E+01 mv 2 51 38 20 0 + 4 e 216 298 etot -8.6368E+01 mv 2 51 2 121 0 + 4 e 205 300 etot -8.6368E+01 mv 2 51 2 -122 0 + 4 e 349 284 etot -8.7380E+01 mv 2 51 41 30 0 + 4 e 493 272 etot -7.8221E+01 mv 2 51 36 5 0 + 4 e 523 248 etot -7.9667E+01 mv 2 51 139 -145 0 + 4 e 273 296 etot -8.6368E+01 mv 2 51 2 22 0 + 4 e 223 291 etot -8.6449E+01 mv 2 51 4 142 0 + 4 e 324 292 etot -8.4913E+01 mv 2 51 4 59 0 + 4 e 339 294 etot -7.6596E+01 mv 2 51 4 173 0 + 4 e 231 293 etot -8.0604E+01 mv 2 51 4 -152 0 + 4 e 510 273 etot -7.4586E+01 mv 2 51 36 -130 0 + -1 e 1 329 etot 1.6258E+24 mv 1 51 96 -108 0 + 4 e 256 297 etot -5.7447E+01 mv 2 51 2 -79 0 + 4 e 279 289 etot -7.4072E+01 mv 2 51 38 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-8.4535E+01 mv 1 51 17 -103 0 + 4 e 212 331 etot -8.4260E+01 mv 1 51 179 -76 0 + 4 e 533 311 etot -7.6513E+01 mv 1 51 37 -77 0 + 4 e 669 299 etot -7.6478E+01 mv 2 51 2 -111 0 + 4 e 543 310 etot -8.0066E+01 mv 1 51 34 -43 0 + -1 e 1 356 etot 1.3528E+20 mv 1 51 1 19 0 + -1 e 1 357 etot 1.3528E+20 mv 1 51 1 -171 0 + 4 e 391 327 etot -8.4117E+01 mv 1 51 96 -46 0 + -1 e 1 359 etot 1.3528E+20 mv 1 51 1 -47 0 + 4 e 303 337 etot -8.5480E+01 mv 1 51 196 143 0 + 4 e 223 341 etot -9.0747E+01 mv 1 51 24 32 0 + 4 e 486 324 etot -8.3274E+01 mv 1 51 87 -188 0 + 4 e 538 319 etot -8.1902E+01 mv 1 51 51 -53 0 + -1 e 1 364 etot 1.3528E+20 mv 1 51 40 61 0 + 4 e 286 340 etot -8.1651E+01 mv 1 51 196 -106 0 + 4 e 350 325 etot -7.3673E+01 mv 1 51 87 -5 0 + 4 e 544 322 etot -7.0376E+01 mv 1 51 87 -160 0 + 4 e 314 339 etot -8.4976E+01 mv 1 51 196 78 0 + 4 e 208 346 etot -8.8359E+01 mv 1 51 139 108 0 + 4 e 554 326 etot -7.6743E+01 mv 1 51 96 -3 0 + 4 e 411 338 etot -7.4795E+01 mv 1 51 196 -28 0 + 4 e 653 312 etot -8.3196E+01 mv 1 51 37 -84 0 + 4 e 475 334 etot -7.9663E+01 mv 1 51 179 -49 0 + 4 e 249 348 etot -8.7960E+01 mv 1 51 139 125 0 + 4 e 344 333 etot -8.3372E+01 mv 1 51 179 -153 0 + 4 e 258 360 etot -8.8115E+01 mv 1 51 1 -74 0 + 4 e 225 361 etot -8.8154E+01 mv 1 51 40 2 0 + 4 e 182 366 etot -8.8087E+01 mv 1 51 101 20 0 + 4 e 201 353 etot -9.0745E+01 mv 1 51 3 2 0 + 4 e 312 350 etot -8.8358E+01 mv 1 51 139 152 0 + 4 e 239 349 etot -8.7959E+01 mv 1 51 139 49 0 + 4 e 302 354 etot -8.2654E+01 mv 1 51 3 144 0 + 4 e 444 344 etot -8.4981E+01 mv 1 51 24 -124 0 + 4 e 456 343 etot -9.0745E+01 mv 1 51 24 -86 0 + 4 e 156 373 etot -8.7772E+01 mv 1 51 36 180 0 + 4 e 278 362 etot -8.8004E+01 mv 1 51 40 58 0 + 4 e 178 372 etot -8.7772E+01 mv 1 51 36 71 0 + 4 e 232 369 etot -6.6140E+01 mv 1 51 101 -155 0 + 4 e 299 347 etot -8.8359E+01 mv 1 51 139 199 0 + 4 e 187 367 etot -8.8087E+01 mv 1 51 101 127 0 + 4 e 252 370 etot -8.8086E+01 mv 1 51 101 180 0 + 4 e 370 355 etot -8.3496E+01 mv 1 51 3 -52 0 + 4 e 404 351 etot -8.9966E+01 mv 1 51 3 -77 0 + 4 e 297 368 etot -8.8086E+01 mv 1 51 101 -44 0 + 4 e 559 342 etot -9.0745E+01 mv 1 51 24 180 0 + 4 e 363 345 etot -7.5577E+01 mv 1 51 24 -86 0 + 4 e 461 352 etot -9.0744E+01 mv 1 51 3 -20 0 + 4 e 353 365 etot -8.8153E+01 mv 1 51 40 -136 0 + 4 e 276 374 etot -8.7771E+01 mv 1 51 36 160 0 + 4 e 172 376 etot -8.8025E+01 mv 1 51 124 60 0 + -1 e 1 399 etot 1.3528E+20 mv 1 51 2 99 0 + 4 e 577 328 etot -7.7473E+01 mv 1 51 96 -66 0 + 4 e 485 358 etot -8.8112E+01 mv 1 51 1 -16 0 + 4 e 206 385 etot -8.7381E+01 mv 1 51 41 65 0 + 4 e 262 378 etot -8.8025E+01 mv 1 51 124 24 0 + 4 e 277 379 etot -7.3464E+01 mv 1 51 124 -126 0 + 4 e 173 382 etot -8.7381E+01 mv 1 51 41 51 0 + 4 e 222 389 etot -6.2141E+01 mv 1 51 38 -151 0 + 4 e 12 409 etot -9.0747E+01 mv 0 51 24 0 0 c 24 0.0 0.0 + 4 e 2 410 etot -8.8359E+01 mv 0 51 139 0 0 + 4 e 383 375 etot -8.7771E+01 mv 1 51 36 142 0 + 4 e 97 404 etot -8.6876E+01 mv 0 51 51 0 0 c 51 1.1 0.0 + 4 e 197 393 etot -8.6449E+01 mv 1 51 4 20 0 + 4 e 210 380 etot -8.8025E+01 mv 1 51 124 190 0 + 4 e 11 414 etot -8.8087E+01 mv 0 51 101 0 0 c 101 0.0 0.0 + 4 e 171 391 etot -6.2663E+01 mv 1 51 4 -177 0 + 4 e 2 416 etot -8.8026E+01 mv 0 51 124 0 0 + 4 e 28 413 etot -8.8154E+01 mv 0 51 40 0 0 c 40 0.0 0.0 + 4 e 14 418 etot -8.7217E+01 mv 0 51 38 0 0 c 38 0.0 0.0 +## N0 total= 19 close= 14 far= 0 %acc 73.7 +## N1 total= 101 close= 5 far= 0 %acc 5.0 +## N2 total= 100 close= 2 far= 2 %acc 4.0 +## N3 total= 0 close= 0 far= 0 %acc 0.0 +## N4 total= 0 close= 0 far= 0 %acc 0.0 +## N5 total= 0 close= 0 far= 0 %acc 0.0 +## N6 total= 200 close= 9 far= 2 %acc 5.5 +## N7 total= 0 close= 0 far= 0 %acc 0.0 +## N8 total= 0 close= 0 far= 0 %acc 0.0 +## N9 total= 0 close= 0 far= 0 %acc 0.0 +##N10 total= 0 close= 0 far= 0 %acc 0.0 +##N11 total= 0 close= 0 far= 0 %acc 0.0 +##N12 total= 0 close= 0 far= 0 %acc 0.0 +##N13 total= 0 close= 0 far= 0 %acc 0.0 +##N14 total= 0 close= 0 far= 0 %acc 0.0 +##N15 total= 0 close= 0 far= 0 %acc 0.0 +##N16 total= 0 close= 0 far= 0 %acc 0.0 +##N17 total= 0 close= 0 far= 0 %acc 0.0 +##N18 total= 0 close= 0 far= 0 %acc 0.0 + Time for refresh 52 0.29 + make_var : nseed= 20 ntry= 420 + Time for make trial 53 0.08 +Nonsetup time 104.88 sec, Eval/s = 65009.80 +Time for iter 53 1.82 sec, Eval/s = 68719.21 + UPDATING 420 + 4 e 511 386 etot -8.7216E+01 mv 1 51 38 105 0 + 4 e 538 371 etot -7.9049E+01 mv 1 51 36 -186 0 + 4 e 71 411 etot -9.0746E+01 mv 0 51 3 0 0 c 3 0.4 0.0 + 4 e 633 363 etot -8.5955E+01 mv 1 51 40 -30 0 + 4 e 58 412 etot -8.8115E+01 mv 0 51 1 0 0 c 1 0.1 0.0 + 4 e 456 392 etot -8.4988E+01 mv 1 51 4 -107 0 + 4 e 13 420 etot -8.6369E+01 mv 0 51 2 0 0 c 2 0.0 0.0 + 4 e 441 394 etot -7.4060E+01 mv 1 51 4 -44 0 + 4 e 302 387 etot -8.6602E+01 mv 1 51 38 -79 0 + 4 e 312 400 etot -8.6678E+01 mv 1 51 2 188 0 c 2 50.3 0.3 + 4 e 319 383 etot -8.6120E+01 mv 1 51 41 74 0 + 4 e 262 395 etot -8.6448E+01 mv 1 51 4 151 0 + 4 e 361 377 etot -7.6981E+01 mv 1 51 124 49 0 + 4 e 389 388 etot -8.7215E+01 mv 1 51 38 23 0 + 4 e 75 406 etot -8.7519E+01 mv 0 51 96 0 0 c 96 0.5 0.0 + 4 e 78 419 etot -8.6449E+01 mv 0 51 4 0 0 c 4 0.6 0.0 + 4 e 422 381 etot -8.4561E+01 mv 1 51 41 82 0 + 4 e 99 407 etot -8.4502E+01 mv 0 51 179 0 0 c 179 0.6 0.0 + 4 e 332 398 etot -8.6367E+01 mv 1 51 2 -27 0 + 4 e 109 405 etot -8.3479E+01 mv 0 51 87 0 0 c 87 0.4 0.0 + 4 e 363 384 etot -7.8638E+01 mv 1 51 41 27 0 + 4 e 193 402 etot -8.5237E+01 mv 0 51 34 0 0 + 4 e 245 396 etot -8.5961E+01 mv 1 51 2 127 0 + 4 e 26 415 etot -8.7772E+01 mv 0 51 36 0 0 c 36 0.1 0.0 + 4 e 651 332 etot -8.0874E+01 mv 1 51 179 -187 0 + 4 e 354 397 etot -8.6368E+01 mv 1 51 2 7 0 + 4 e 57 417 etot -8.7381E+01 mv 0 51 41 0 0 + 4 e 46 408 etot -8.5860E+01 mv 0 51 196 0 0 c 196 0.1 0.0 + 4 e 125 401 etot -8.4651E+01 mv 0 51 17 0 0 c 17 1.2 0.0 + 4 e 134 403 etot -8.3198E+01 mv 0 51 37 0 0 c 37 1.2 0.0 + 4 e 619 390 etot -8.1838E+01 mv 1 51 38 104 0 + 4 e 14 17 etot -8.7121E+01 mv 6 52 48 59 0 c 59 0.0 0.0 + -1 e 1 3 etot 1.3528E+20 mv 6 52 34 174 0 + 4 e 62 11 etot -8.5211E+01 mv 6 52 48 143 0 c 143 0.2 0.0 + 4 e 63 21 etot -8.6660E+01 mv 6 52 74 23 0 c 23 0.2 0.0 + 4 e 18 34 etot -8.4186E+01 mv 6 52 116 95 0 c 95 0.0 0.0 + 4 e 155 32 etot -5.9722E+01 mv 6 52 116 36 0 + 4 e 176 23 etot -8.4833E+01 mv 6 52 74 143 0 + 4 e 219 30 etot -8.2369E+01 mv 6 52 74 64 0 + 4 e 228 13 etot -7.4505E+01 mv 6 52 48 194 0 + 4 e 156 36 etot -7.0651E+01 mv 6 52 116 87 0 + 4 e 233 4 etot -8.5351E+01 mv 6 52 34 167 0 c 34 9.2 0.0 + 4 e 230 29 etot -8.0891E+01 mv 6 52 74 184 0 + 4 e 246 10 etot -7.7155E+01 mv 6 52 34 47 0 + 4 e 234 5 etot -7.3624E+01 mv 6 52 34 57 0 + 4 e 257 1 etot -7.5296E+01 mv 6 52 34 121 0 + 4 e 295 27 etot -8.1747E+01 mv 6 52 74 173 0 + 4 e 345 28 etot -6.6095E+01 mv 6 52 74 142 0 + 4 e 312 22 etot -7.3766E+01 mv 6 52 74 80 0 + 4 e 336 24 etot -8.6611E+01 mv 6 52 74 75 0 + 4 e 58 47 etot -8.3286E+01 mv 6 52 119 6 0 c 6 0.2 0.0 + 4 e 420 6 etot -8.1997E+01 mv 6 52 34 16 0 + 4 e 349 19 etot -8.2347E+01 mv 6 52 48 105 0 + 4 e 169 43 etot -7.2699E+01 mv 6 52 119 90 0 + -1 e 1 54 etot 6.3656E+20 mv 6 52 124 121 0 + 4 e 419 31 etot -7.8804E+01 mv 6 52 116 178 0 + 4 e 525 7 etot -8.5124E+01 mv 6 52 34 10 0 + -1 e 1 57 etot 1.3528E+20 mv 6 52 124 92 0 + 4 e 179 46 etot -8.0024E+01 mv 6 52 119 41 0 + 4 e 463 16 etot -7.9231E+01 mv 6 52 48 178 0 + 4 e 82 51 etot -8.2646E+01 mv 6 52 124 177 0 c 177 0.4 0.0 + 4 e 457 9 etot -8.6346E+01 mv 6 52 34 186 0 + 4 e 410 35 etot -8.2408E+01 mv 6 52 116 98 0 + 4 e 350 45 etot -7.4945E+01 mv 6 52 119 91 0 + 4 e 471 14 etot -8.3370E+01 mv 6 52 48 119 0 c 48 114.4 1.2 + 4 e 247 41 etot -8.0807E+01 mv 6 52 119 90 0 + -1 e 1 66 etot 1.3528E+20 mv 6 52 127 82 0 + 4 e 368 42 etot -8.2229E+01 mv 6 52 119 186 0 + 4 e 11 64 etot -8.7383E+01 mv 6 52 127 174 0 c 174 0.0 0.0 + 4 e 543 18 etot -8.5134E+01 mv 6 52 48 154 0 + 4 e 197 53 etot -8.6378E+01 mv 6 52 124 82 0 + 4 e 526 8 etot -7.9718E+01 mv 6 52 34 9 0 + 4 e 273 44 etot -8.1389E+01 mv 6 52 119 150 0 + 4 e 137 60 etot -8.8025E+01 mv 6 52 124 34 0 + 4 e 439 37 etot -8.6093E+01 mv 6 52 116 55 0 + 4 e 536 25 etot -7.3899E+01 mv 6 52 74 106 0 + 4 e 332 39 etot -8.7178E+01 mv 6 52 116 114 0 + 4 e 543 12 etot -8.0848E+01 mv 6 52 48 23 0 + -1 e 1 78 etot 1.3528E+20 mv 6 52 150 47 0 + 4 e 356 38 etot -8.5532E+01 mv 6 52 116 138 0 + -1 e 1 80 etot 7.1788E+29 mv 6 52 150 148 0 + 4 e 527 26 etot -8.1147E+01 mv 6 52 74 154 0 + 4 e 558 2 etot -8.1619E+01 mv 6 52 34 173 0 + 4 e 314 52 etot -7.6684E+01 mv 6 52 124 197 0 + -1 e 1 84 etot 1.3528E+20 mv 6 52 168 149 0 + 4 e 562 15 etot -8.3410E+01 mv 6 52 48 77 0 + -1 e 1 86 etot 1.3528E+20 mv 6 52 168 67 0 + 4 e 583 20 etot -8.3409E+01 mv 6 52 48 129 0 + 4 e 67 85 etot -8.3879E+01 mv 6 52 168 77 0 c 77 0.1 0.0 + -1 e 1 89 etot 1.3528E+20 mv 6 52 168 39 0 + 4 e 300 48 etot -7.8775E+01 mv 6 52 119 134 0 + 4 e 376 40 etot -8.4939E+01 mv 6 52 116 129 0 + -1 e 1 92 etot 1.3528E+20 mv 6 52 108 129 0 + 4 e 288 49 etot -7.9709E+01 mv 6 52 119 106 0 + 4 e 293 58 etot -8.3846E+01 mv 6 52 124 162 0 + 4 e 198 70 etot -7.2378E+01 mv 6 52 127 160 0 + 4 e 712 33 etot -8.6814E+01 mv 6 52 116 7 0 + 4 e 151 73 etot -8.1472E+01 mv 6 52 150 193 0 + 4 e 235 74 etot -8.3108E+01 mv 6 52 150 3 0 c 150 4.7 0.0 + 4 e 266 63 etot -8.2608E+01 mv 6 52 127 37 0 + 4 e 241 62 etot -8.2316E+01 mv 6 52 127 137 0 + 4 e 233 61 etot -8.3953E+01 mv 6 52 127 179 0 c 127 3.0 0.0 + 4 e 305 56 etot -8.6484E+01 mv 6 52 124 88 0 + 4 e 384 68 etot -8.1400E+01 mv 6 52 127 23 0 + 4 e 259 72 etot -8.3868E+01 mv 6 52 150 55 0 f 42 362.4 1.9 + 4 e 366 55 etot -8.4507E+01 mv 6 52 124 102 0 + 4 e 271 87 etot -8.5941E+01 mv 6 52 168 177 0 + 4 e 418 71 etot -8.7419E+01 mv 6 52 150 119 0 + -1 e 1 108 etot 6.9414E+25 mv 6 52 8 59 0 + 4 e 284 88 etot -8.6766E+01 mv 6 52 168 199 0 c 168 7.2 0.0 + 4 e 478 69 etot -7.6549E+01 mv 6 52 127 48 0 + 4 e 371 67 etot -8.1569E+01 mv 6 52 127 134 0 + 4 e 278 94 etot -7.7814E+01 mv 6 52 108 96 0 + 4 e 361 81 etot -8.3176E+01 mv 6 52 168 119 0 + 4 e 301 95 etot -8.2585E+01 mv 6 52 108 188 0 + 4 e 298 77 etot -8.1528E+01 mv 6 52 150 48 0 + 4 e 329 90 etot -8.6297E+01 mv 6 52 168 96 0 + 4 e 271 76 etot -8.0147E+01 mv 6 52 150 73 0 + 4 e 541 59 etot -8.2816E+01 mv 6 52 124 112 0 + 4 e 35 114 etot -8.8154E+01 mv 6 52 161 40 0 c 40 0.0 0.0 + 4 e 408 79 etot -8.1212E+01 mv 6 52 150 78 0 + 4 e 348 93 etot -6.8568E+01 mv 6 52 108 51 0 + 4 e 22 117 etot -8.3966E+01 mv 6 52 161 106 0 c 106 0.0 0.0 + 4 e 432 83 etot -8.6754E+01 mv 6 52 168 121 0 + -1 e 1 124 etot 1.3528E+20 mv 6 52 139 116 0 + 4 e 289 97 etot -8.2585E+01 mv 6 52 108 61 0 + 4 e 41 119 etot -8.5580E+01 mv 6 52 161 198 0 c 198 0.1 0.0 + 4 e 259 101 etot -8.8068E+01 mv 6 52 8 72 0 + -1 e 1 128 etot 1.3528E+20 mv 6 52 139 170 0 + 4 e 565 65 etot -8.2251E+01 mv 6 52 127 124 0 + -1 e 1 130 etot 1.3528E+20 mv 6 52 139 17 0 + -1 e 1 131 etot 1.3528E+20 mv 6 52 1 74 0 + 4 e 295 99 etot -8.1206E+01 mv 6 52 108 163 0 + 4 e 317 98 etot -8.2141E+01 mv 6 52 108 148 0 + 4 e 144 113 etot -7.5536E+01 mv 6 52 161 88 0 + 4 e 201 107 etot -9.2233E+01 mv 6 52 8 104 0 + 4 e 207 103 etot -8.9200E+01 mv 6 52 8 23 0 + 4 e 433 96 etot -7.0471E+01 mv 6 52 108 113 0 + 4 e 566 75 etot -8.0258E+01 mv 6 52 150 56 0 + -1 e 1 139 etot 1.3528E+20 mv 6 52 1 25 0 + 4 e 544 50 etot -8.3659E+01 mv 6 52 119 111 0 c 119 115.1 0.2 + -1 e 1 141 etot 1.3528E+20 mv 6 52 36 149 0 + 4 e 329 104 etot -7.3644E+01 mv 6 52 8 91 0 + -1 e 1 143 etot 1.3528E+20 mv 6 52 36 60 0 + 4 e 169 123 etot -8.8359E+01 mv 6 52 139 64 0 + 4 e 286 109 etot -8.9200E+01 mv 6 52 8 194 0 + 4 e 225 121 etot -8.0121E+01 mv 6 52 139 43 0 + 4 e 280 112 etot -7.9752E+01 mv 6 52 161 140 0 + 4 e 226 120 etot -8.8445E+01 mv 6 52 161 52 0 + 4 e 308 111 etot -7.9340E+01 mv 6 52 161 158 0 + 4 e 250 122 etot -8.7435E+01 mv 6 52 139 145 0 + 4 e 317 110 etot -8.7631E+01 mv 6 52 8 67 0 + -1 e 1 152 etot 1.3528E+20 mv 6 52 174 51 0 + 4 e 389 105 etot -9.0141E+01 mv 6 52 8 106 0 + 4 e 283 106 etot -8.7631E+01 mv 6 52 8 50 0 + 4 e 219 116 etot -8.8445E+01 mv 6 52 161 43 0 + 4 e 255 132 etot -8.8115E+01 mv 6 52 1 40 0 + 4 e 467 91 etot -6.4776E+01 mv 6 52 108 168 0 + -1 e 1 157 etot 1.3528E+20 mv 6 52 174 110 0 + -1 e 1 159 etot 1.3528E+20 mv 6 52 174 14 0 + 4 e 553 100 etot -7.4986E+01 mv 6 52 108 12 0 + 4 e 477 82 etot -8.1630E+01 mv 6 52 168 72 0 + 4 e 329 125 etot -7.9698E+01 mv 6 52 139 112 0 + 4 e 324 126 etot -7.8407E+01 mv 6 52 139 80 0 + 4 e 271 134 etot -7.5896E+01 mv 6 52 1 149 0 + 4 e 282 135 etot -7.9610E+01 mv 6 52 1 152 0 + 4 e 131 149 etot -8.7772E+01 mv 6 52 36 88 0 + 4 e 208 145 etot -6.7027E+01 mv 6 52 36 188 0 + 4 e 139 150 etot -6.7590E+01 mv 6 52 36 28 0 + 4 e 274 138 etot -8.6505E+01 mv 6 52 1 100 0 + 4 e 256 118 etot -8.8445E+01 mv 6 52 161 136 0 + 4 e 261 144 etot -8.7130E+01 mv 6 52 36 128 0 + 4 e 212 147 etot -7.5260E+01 mv 6 52 36 23 0 + 4 e 356 133 etot -8.5820E+01 mv 6 52 1 31 0 + 4 e 211 153 etot -8.6114E+01 mv 6 52 174 8 0 + 4 e 490 115 etot -8.5081E+01 mv 6 52 161 29 0 + 4 e 419 129 etot 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mv 2 52 116 -27 0 + 4 e 392 234 etot -8.4239E+01 mv 2 52 127 -53 0 c 127 37.4 0.3 + 4 e 286 230 etot -7.6770E+01 mv 2 52 124 -199 0 + 4 e 486 225 etot -8.3660E+01 mv 2 52 119 -158 0 + 4 e 673 179 etot -8.4369E+01 mv 6 52 200 122 0 + 4 e 169 251 etot -8.9201E+01 mv 2 52 8 -189 0 + 4 e 669 211 etot -7.9373E+01 mv 2 52 74 -157 0 + 4 e 481 233 etot -7.5632E+01 mv 2 52 127 -190 0 + 4 e 529 227 etot -7.4975E+01 mv 2 52 124 -155 0 + 4 e 490 231 etot -8.1812E+01 mv 2 52 127 -16 0 + 4 e 130 256 etot -6.2520E+01 mv 2 52 161 -193 0 + 4 e 355 240 etot -8.0039E+01 mv 2 52 150 -30 0 + 4 e 209 255 etot -8.9200E+01 mv 2 52 8 183 0 + 4 e 332 249 etot -7.8221E+01 mv 2 52 108 186 0 + 4 e 598 226 etot -7.0602E+01 mv 2 52 124 -22 0 + 4 e 367 244 etot -6.3622E+01 mv 2 52 168 -106 0 + 4 e 331 250 etot -8.2035E+01 mv 2 52 108 -121 0 + 4 e 255 253 etot -8.8603E+01 mv 2 52 8 95 0 + 4 e 356 245 etot -8.2261E+01 mv 2 52 168 -58 0 + 4 e 592 229 etot -8.8024E+01 mv 2 52 124 -2 0 + 4 e 570 208 etot -8.1712E+01 mv 2 52 48 -134 0 + 4 e 230 257 etot -6.8670E+01 mv 2 52 161 182 0 + 4 e 435 243 etot -8.1179E+01 mv 2 52 168 -133 0 + 4 e 152 263 etot -8.8359E+01 mv 2 52 139 -65 0 + 4 e 112 271 etot -8.7772E+01 mv 2 52 36 89 0 + -1 e 1 283 etot 1.3528E+20 mv 2 52 180 -3 0 + 4 e 258 260 etot -8.8146E+01 mv 2 52 161 86 0 + 4 e 632 237 etot -8.4020E+01 mv 2 52 150 -5 0 c 150 217.0 0.9 + 4 e 352 254 etot -8.2963E+01 mv 2 52 8 58 0 + 4 e 451 238 etot -7.3657E+01 mv 2 52 150 -185 0 + 4 e 247 266 etot -7.1055E+01 mv 2 52 1 86 0 + 4 e 171 275 etot -8.7772E+01 mv 2 52 36 111 0 + 4 e 195 273 etot -8.4489E+01 mv 2 52 36 -22 0 + 4 e 154 280 etot -8.7383E+01 mv 2 52 174 183 0 + 4 e 486 252 etot -7.3822E+01 mv 2 52 8 -52 0 + 4 e 287 267 etot -7.7941E+01 mv 2 52 1 -84 0 + 4 e 420 241 etot -8.1980E+01 mv 2 52 168 -57 0 + 4 e 128 286 etot -8.7223E+01 mv 2 52 200 75 0 + 4 e 607 246 etot -7.7184E+01 mv 2 52 108 -109 0 + 4 e 238 277 etot -6.5504E+01 mv 2 52 174 80 0 + 4 e 235 278 etot -8.7185E+01 mv 2 52 174 38 0 + 4 e 179 281 etot -8.7279E+01 mv 2 52 180 -2 0 + 4 e 265 276 etot -7.6169E+01 mv 2 52 174 156 0 + 4 e 424 262 etot -7.7692E+01 mv 2 52 139 11 0 + 4 e 283 274 etot -8.6386E+01 mv 2 52 36 57 0 + -1 e 1 303 etot 1.3528E+20 mv 1 52 34 -120 0 + 4 e 357 268 etot -7.4964E+01 mv 2 52 1 -12 0 + -1 e 1 305 etot 1.3528E+20 mv 1 52 34 -117 0 + 4 e 700 224 etot -6.5026E+01 mv 2 52 119 -22 0 + -1 e 1 307 etot 1.3528E+20 mv 1 52 48 -125 0 + 4 e 250 285 etot -7.9248E+01 mv 2 52 180 194 0 + 4 e 475 265 etot -7.8190E+01 mv 2 52 139 -156 0 + 4 e 198 291 etot -8.7603E+01 mv 2 52 183 71 0 + 4 e 529 264 etot -8.5053E+01 mv 2 52 139 189 0 + 4 e 172 296 etot -8.7217E+01 mv 2 52 38 79 0 + 4 e 441 272 etot -7.9265E+01 mv 2 52 36 87 0 + 4 e 340 284 etot -7.4887E+01 mv 2 52 180 -110 0 + 4 e 640 259 etot -8.1423E+01 mv 2 52 161 -26 0 + 4 e 209 300 etot -8.7216E+01 mv 2 52 38 -61 0 + 4 e 229 298 etot -8.4694E+01 mv 2 52 38 -77 0 + 4 e 470 258 etot -8.2792E+01 mv 2 52 161 -64 0 + 4 e 133 308 etot -6.3683E+01 mv 1 52 48 -27 0 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-88 0 + 4 e 495 301 etot -8.7621E+01 mv 1 52 34 -81 0 + 4 e 315 316 etot -8.8511E+01 mv 1 52 116 -137 0 + 4 e 524 299 etot -8.0624E+01 mv 2 52 38 25 0 + 4 e 646 290 etot -8.5874E+01 mv 2 52 200 107 0 c 105 20.3 0.2 + 4 e 127 333 etot -6.6281E+01 mv 1 52 127 -102 0 + 4 e 215 320 etot -7.2871E+01 mv 1 52 116 -190 0 + 4 e 149 331 etot -8.3954E+01 mv 1 52 127 -162 0 + 4 e 381 317 etot -8.5460E+01 mv 1 52 116 -200 0 + 4 e 709 261 etot -8.2273E+01 mv 2 52 139 -194 0 + 4 e 437 295 etot -8.2824E+01 mv 2 52 183 -114 0 + 4 e 597 302 etot -8.6148E+01 mv 1 52 34 -115 0 + 4 e 255 327 etot -8.2612E+01 mv 1 52 124 -17 0 + 4 e 601 306 etot -8.5786E+01 mv 1 52 48 -136 0 c 48 149.2 2.4 + 4 e 499 313 etot -7.9067E+01 mv 1 52 74 -183 0 + 4 e 587 282 etot -7.2302E+01 mv 2 52 180 -11 0 + 4 e 579 310 etot -7.8508E+01 mv 1 52 48 -133 0 + -1 e 1 356 etot 1.3528E+20 mv 1 52 161 -121 0 + 4 e 489 318 etot -6.6553E+01 mv 1 52 116 -42 0 + 4 e 258 334 etot -8.2976E+01 mv 1 52 127 -75 0 + 4 e 311 330 etot -7.6974E+01 mv 1 52 124 -64 0 + 4 e 413 324 etot -8.1084E+01 mv 1 52 119 -160 0 + -1 e 1 361 etot 1.3528E+20 mv 1 52 139 48 0 + 4 e 470 322 etot -8.1743E+01 mv 1 52 119 -120 0 + 4 e 203 345 etot -8.6766E+01 mv 1 52 168 -39 0 c 168 2.7 0.0 + 4 e 509 321 etot -8.2207E+01 mv 1 52 119 -128 0 + 4 e 384 328 etot -8.6365E+01 mv 1 52 124 -72 0 + 4 e 213 348 etot -8.2585E+01 mv 1 52 108 111 0 + 4 e 203 352 etot -7.6547E+01 mv 1 52 8 120 0 + 4 e 358 340 etot -8.1441E+01 mv 1 52 150 -56 0 + 4 e 212 353 etot -8.9201E+01 mv 1 52 8 45 0 + 4 e 296 344 etot -8.6766E+01 mv 1 52 168 -139 0 + 4 e 418 319 etot -8.8678E+01 mv 1 52 116 -38 0 c 67 143.3 0.0 + 4 e 280 339 etot -7.6751E+01 mv 1 52 150 -191 0 + 4 e 145 360 etot -8.8445E+01 mv 1 52 161 -137 0 + 4 e 444 332 etot -8.3363E+01 mv 1 52 127 -191 0 + 4 e 418 336 etot -7.5792E+01 mv 1 52 150 -31 0 + 4 e 317 337 etot -6.8948E+01 mv 1 52 150 -62 0 + 4 e 311 351 etot -7.8248E+01 mv 1 52 8 -167 0 + 4 e 646 323 etot -8.4046E+01 mv 1 52 119 -130 0 + 4 e 263 357 etot -7.9776E+01 mv 1 52 161 1 0 + 4 e 211 355 etot -8.8603E+01 mv 1 52 8 192 0 + -1 e 1 381 etot 1.3528E+20 mv 1 52 180 87 0 + 4 e 132 376 etot -8.7383E+01 mv 1 52 174 62 0 + 4 e 225 365 etot -8.8359E+01 mv 1 52 139 82 0 + 4 e 449 347 etot -6.5099E+01 mv 1 52 108 184 0 + 4 e 243 364 etot -8.7276E+01 mv 1 52 139 98 0 + 4 e 158 374 etot -8.7772E+01 mv 1 52 36 -126 0 + 4 e 209 368 etot -8.8115E+01 mv 1 52 1 -83 0 + 4 e 285 363 etot -7.8959E+01 mv 1 52 139 -69 0 + 4 e 130 373 etot -8.7772E+01 mv 1 52 36 107 0 + 4 e 319 349 etot -7.8416E+01 mv 1 52 108 86 0 + 4 e 156 378 etot -8.7326E+01 mv 1 52 174 -146 0 + 4 e 569 342 etot -7.7457E+01 mv 1 52 168 -27 0 + 4 e 306 366 etot -8.7939E+01 mv 1 52 1 -153 0 + 4 e 363 346 etot -8.0878E+01 mv 1 52 108 -174 0 + 4 e 225 375 etot -8.7771E+01 mv 1 52 36 3 0 + -1 e 1 396 etot 1.1755E+25 mv 1 52 38 -146 0 + 4 e 402 362 etot -8.8357E+01 mv 1 52 139 161 0 + 4 e 633 341 etot -8.6472E+01 mv 1 52 168 -111 0 + 4 e 185 377 etot -8.7383E+01 mv 1 52 174 110 0 + 4 e 565 326 etot -7.4881E+01 mv 1 52 124 -171 0 + 4 e 358 369 etot -8.8114E+01 mv 1 52 1 -140 0 + 4 e 328 371 etot -8.7772E+01 mv 1 52 36 -78 0 + 4 e 164 384 etot -8.6419E+01 mv 1 52 180 -13 0 + 4 e 685 343 etot -8.0085E+01 mv 1 52 168 -131 0 + 4 e 246 379 etot -8.7383E+01 mv 1 52 174 16 0 + 4 e 415 350 etot -7.7047E+01 mv 1 52 108 132 0 + 4 e 491 359 etot -8.1682E+01 mv 1 52 161 60 0 + 4 e 501 358 etot -8.8443E+01 mv 1 52 161 -24 0 + 4 e 212 385 etot -7.6155E+01 mv 1 52 180 -24 0 + 4 e 228 383 etot -8.7279E+01 mv 1 52 180 28 0 + 4 e 2 411 etot -8.9201E+01 mv 0 52 8 0 0 + 4 e 10 412 etot -8.8445E+01 mv 0 52 161 0 0 c 161 0.0 0.0 + 4 e 2 413 etot -8.8359E+01 mv 0 52 139 0 0 + 4 e 308 380 etot -7.5791E+01 mv 1 52 174 -133 0 + 4 e 95 402 etot -8.2144E+01 mv 0 52 48 0 0 + 4 e 465 367 etot -8.3297E+01 mv 1 52 1 -84 0 + 4 e 624 354 etot -8.4921E+01 mv 1 52 8 -10 0 f 102 354.7 2.9 + 4 e 11 416 etot -8.7383E+01 mv 0 52 174 0 0 + 4 e 107 403 etot -8.2376E+01 mv 0 52 74 0 0 c 74 1.3 0.0 +## N0 total= 19 close= 13 far= 0 %acc 68.4 +## N1 total= 101 close= 6 far= 1 %acc 6.9 +## N2 total= 100 close= 6 far= 0 %acc 6.0 +## N3 total= 0 close= 0 far= 0 %acc 0.0 +## N4 total= 0 close= 0 far= 0 %acc 0.0 +## N5 total= 0 close= 0 far= 0 %acc 0.0 +## N6 total= 200 close= 17 far= 1 %acc 9.0 +## N7 total= 0 close= 0 far= 0 %acc 0.0 +## N8 total= 0 close= 0 far= 0 %acc 0.0 +## N9 total= 0 close= 0 far= 0 %acc 0.0 +##N10 total= 0 close= 0 far= 0 %acc 0.0 +##N11 total= 0 close= 0 far= 0 %acc 0.0 +##N12 total= 0 close= 0 far= 0 %acc 0.0 +##N13 total= 0 close= 0 far= 0 %acc 0.0 +##N14 total= 0 close= 0 far= 0 %acc 0.0 +##N15 total= 0 close= 0 far= 0 %acc 0.0 +##N16 total= 0 close= 0 far= 0 %acc 0.0 +##N17 total= 0 close= 0 far= 0 %acc 0.0 +##N18 total= 0 close= 0 far= 0 %acc 0.0 + Time for refresh 53 0.28 + make_var : nseed= 20 ntry= 420 + Time for make trial 54 0.04 +Nonsetup time 106.62 sec, Eval/s = 65088.71 +Time for iter 54 1.73 sec, Eval/s = 69860.32 + UPDATING 420 + 4 e 333 389 etot 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1 53 1 134 0 + 4 e 216 381 etot -8.7383E+01 mv 1 53 174 19 0 + 4 e 69 402 etot -8.3868E+01 mv 0 53 42 0 0 + 4 e 334 373 etot -8.8097E+01 mv 1 53 124 35 0 + 4 e 160 384 etot -8.6705E+01 mv 1 53 174 -117 0 + 4 e 285 364 etot -8.8358E+01 mv 1 53 139 176 0 + 4 e 612 349 etot -7.2050E+01 mv 1 53 150 -146 0 + 4 e 2 413 etot -8.8359E+01 mv 0 53 139 0 0 + 4 e 180 383 etot -8.6704E+01 mv 1 53 174 144 0 + 4 e 360 372 etot -8.8096E+01 mv 1 53 124 55 0 + 4 e 12 414 etot -8.8115E+01 mv 0 53 1 0 0 c 1 0.0 0.0 + 4 e 734 308 etot -7.4804E+01 mv 1 53 42 -133 0 + 4 e 22 412 etot -8.4309E+01 mv 0 53 133 0 0 + 4 e 10 416 etot -8.7772E+01 mv 0 53 36 0 0 c 36 0.0 0.0 +## N0 total= 19 close= 11 far= 0 %acc 57.9 +## N1 total= 101 close= 4 far= 0 %acc 4.0 +## N2 total= 100 close= 2 far= 0 %acc 2.0 +## N3 total= 0 close= 0 far= 0 %acc 0.0 +## N4 total= 0 close= 0 far= 0 %acc 0.0 +## N5 total= 0 close= 0 far= 0 %acc 0.0 +## N6 total= 200 close= 23 far= 2 %acc 12.5 +## N7 total= 0 close= 0 far= 0 %acc 0.0 +## N8 total= 0 close= 0 far= 0 %acc 0.0 +## N9 total= 0 close= 0 far= 0 %acc 0.0 +##N10 total= 0 close= 0 far= 0 %acc 0.0 +##N11 total= 0 close= 0 far= 0 %acc 0.0 +##N12 total= 0 close= 0 far= 0 %acc 0.0 +##N13 total= 0 close= 0 far= 0 %acc 0.0 +##N14 total= 0 close= 0 far= 0 %acc 0.0 +##N15 total= 0 close= 0 far= 0 %acc 0.0 +##N16 total= 0 close= 0 far= 0 %acc 0.0 +##N17 total= 0 close= 0 far= 0 %acc 0.0 +##N18 total= 0 close= 0 far= 0 %acc 0.0 + Time for refresh 54 0.25 + make_var : nseed= 20 ntry= 420 + Time for make trial 55 0.10 +Nonsetup time 108.42 sec, Eval/s = 65134.20 +Time for iter 55 1.80 sec, Eval/s = 67827.78 + UPDATING 420 + 4 e 11 420 etot -8.7603E+01 mv 0 53 183 0 0 + 4 e 628 382 etot -6.5396E+01 mv 1 53 174 -102 0 + 4 e 83 406 etot -8.4922E+01 mv 0 53 102 0 0 c 102 0.9 0.0 + 4 e 124 404 etot -8.8680E+01 mv 0 53 67 0 0 + 4 e 243 393 etot -8.6797E+01 mv 1 53 157 36 0 + 4 e 124 408 etot -8.4333E+01 mv 0 53 119 0 0 + 4 e 284 385 etot -8.1452E+01 mv 1 53 174 94 0 + 4 e 292 395 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etot -8.8097E+01 mv 2 54 124 -63 0 + 4 e 300 283 etot -7.2597E+01 mv 2 54 36 -102 0 + 4 e 180 285 etot -8.7772E+01 mv 2 54 36 143 0 + -1 e 1 317 etot 1.3528E+20 mv 1 54 42 -32 0 + -1 e 1 318 etot 1.3528E+20 mv 1 54 42 -18 0 + 4 e 375 269 etot -8.1971E+01 mv 2 54 200 -154 0 + 4 e 154 293 etot -8.7383E+01 mv 2 54 174 173 0 + 4 e 528 271 etot -8.3768E+01 mv 2 54 49 1 0 c 49 122.8 0.2 + 4 e 193 301 etot -8.5286E+01 mv 1 54 2 -128 0 + 4 e 309 292 etot -8.5403E+01 mv 2 54 174 69 0 + -1 e 1 324 etot 1.3528E+20 mv 1 54 67 -92 0 + 4 e 529 260 etot -7.6204E+01 mv 2 54 175 -103 0 + 4 e 334 291 etot -8.4417E+01 mv 2 54 174 -193 0 + 4 e 275 299 etot -7.7990E+01 mv 2 54 51 -21 0 + -1 e 1 328 etot 1.3528E+20 mv 1 54 96 -56 0 + 4 e 249 306 etot -8.3920E+01 mv 1 54 15 -41 0 + 4 e 339 297 etot -7.2965E+01 mv 2 54 51 -38 0 + 4 e 276 289 etot -8.8097E+01 mv 2 54 124 27 0 + 4 e 205 313 etot -6.8336E+01 mv 1 54 32 -3 0 + 4 e 282 303 etot -6.7258E+01 mv 1 54 2 -182 0 + 4 e 581 280 etot -8.7936E+01 mv 2 54 1 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0 + 4 e 307 314 etot -8.3325E+01 mv 1 54 32 -44 0 + 4 e 285 330 etot -8.8558E+01 mv 1 54 96 -187 0 + 4 e 240 326 etot -8.8558E+01 mv 1 54 96 -33 0 + 4 e 263 336 etot -8.3828E+01 mv 1 54 119 -4 0 + 4 e 292 320 etot -8.3994E+01 mv 1 54 42 -94 0 + 4 e 269 344 etot -8.3913E+01 mv 1 54 133 -70 0 + 4 e 426 302 etot -7.3651E+01 mv 1 54 2 -123 0 + 4 e 263 345 etot -8.3913E+01 mv 1 54 133 -173 0 + 4 e 147 351 etot -8.7341E+01 mv 1 54 168 -170 0 c 168 1.8 0.0 + 4 e 347 342 etot -7.6520E+01 mv 1 54 133 -76 0 + 4 e 484 323 etot -8.5085E+01 mv 1 54 67 -91 0 + 4 e 427 333 etot -6.6381E+01 mv 1 54 105 -99 0 + -1 e 1 367 etot 1.3528E+20 mv 1 54 200 -29 0 + 4 e 555 322 etot -7.8871E+01 mv 1 54 67 -54 0 + 4 e 359 347 etot -6.8278E+01 mv 1 54 150 -183 0 + 4 e 471 331 etot -8.1471E+01 mv 1 54 105 -71 0 + -1 e 1 370 etot 1.3528E+20 mv 1 54 200 -115 0 + 4 e 522 329 etot -8.8556E+01 mv 1 54 96 -140 0 + 4 e 296 350 etot -8.4970E+01 mv 1 54 150 -59 0 + 4 e 312 349 etot -8.3395E+01 mv 1 54 150 -76 0 + 4 e 548 334 etot -8.1895E+01 mv 1 54 105 -146 0 + 4 e 171 365 etot -7.8052E+01 mv 1 54 196 -16 0 + 4 e 172 360 etot -8.2266E+01 mv 1 54 175 -85 0 c 175 2.8 0.0 + 4 e 279 357 etot -6.6454E+01 mv 1 54 175 -155 0 + -1 e 1 379 etot 1.3528E+20 mv 1 54 1 26 0 + 4 e 524 337 etot -8.4021E+01 mv 1 54 119 -102 0 + 4 e 509 343 etot -8.2295E+01 mv 1 54 133 -90 0 + 4 e 558 335 etot -7.6171E+01 mv 1 54 105 -18 0 + 4 e 408 348 etot -6.2595E+01 mv 1 54 150 -21 0 + -1 e 1 384 etot 1.3528E+20 mv 1 54 36 107 0 + 4 e 235 361 etot -8.7304E+01 mv 1 54 196 -62 0 + 8 e 155 362 etot -6.3995E+01 mv 1 54 196 -183 0 + 4 e 645 327 etot -7.6069E+01 mv 1 54 96 -169 0 + 4 e 571 338 etot -8.4179E+01 mv 1 54 119 -22 0 + 4 e 244 356 etot -7.9540E+01 mv 1 54 175 -37 0 + 4 e 443 332 etot -8.1440E+01 mv 1 54 105 -18 0 + 4 e 299 353 etot -6.8146E+01 mv 1 54 168 -102 0 + 4 e 550 321 etot -9.0664E+01 mv 1 54 67 -64 0 + 4 e 322 364 etot -7.5793E+01 mv 1 54 196 -131 0 + 4 e 307 369 etot -6.6528E+01 mv 1 54 200 -11 0 + 4 e 132 385 etot -8.7772E+01 mv 1 54 36 -127 0 + 4 e 432 359 etot -8.2264E+01 mv 1 54 175 -42 0 + -1 e 1 388 etot 1.3528E+20 mv 1 54 124 -111 0 + 4 e 274 371 etot -7.2436E+01 mv 1 54 49 141 0 + 4 e 160 383 etot -8.7772E+01 mv 1 54 36 -191 0 + 4 e 346 366 etot -8.4660E+01 mv 1 54 200 -14 0 + 4 e 507 354 etot -7.7041E+01 mv 1 54 168 -128 0 + 4 e 447 346 etot -8.1039E+01 mv 1 54 150 -60 0 + 4 e 181 386 etot -8.8025E+01 mv 1 54 124 99 0 + 4 e 221 381 etot -8.7772E+01 mv 1 54 36 119 0 + 4 e 375 358 etot -7.7397E+01 mv 1 54 175 -79 0 + 4 e 262 380 etot -8.8115E+01 mv 1 54 1 87 0 + 4 e 72 401 etot -8.6727E+01 mv 0 54 2 0 0 c 2 0.5 0.0 + 4 e 85 402 etot -8.4208E+01 mv 0 54 15 0 0 + 4 e 165 376 etot -8.8115E+01 mv 1 54 1 170 0 + 4 e 619 355 etot -8.8872E+01 mv 1 54 168 -53 0 c 168 175.7 1.5 + 4 e 197 387 etot -8.8025E+01 mv 1 54 124 157 0 + 4 e 57 409 etot -8.4341E+01 mv 0 54 133 0 0 c 133 0.7 0.0 + 4 e 547 363 etot -8.2396E+01 mv 1 54 196 -15 0 + 4 e 256 378 etot -8.4993E+01 mv 1 54 1 -106 0 + 4 e 110 403 etot -8.3729E+01 mv 0 54 32 0 0 + 4 e 93 408 etot -8.5910E+01 mv 0 54 119 0 0 c 119 1.2 0.0 + 4 e 11 417 etot -8.7772E+01 mv 0 54 36 0 0 c 36 0.0 0.0 + 4 e 529 368 etot -7.7487E+01 mv 1 54 200 -169 0 + 4 e 11 416 etot -8.8115E+01 mv 0 54 1 0 0 c 1 0.0 0.0 +## N0 total= 22 close= 10 far= 0 %acc 45.5 +## N1 total= 98 close= 4 far= 0 %acc 4.1 +## N2 total= 100 close= 6 far= 1 %acc 7.0 +## N3 total= 0 close= 0 far= 0 %acc 0.0 +## N4 total= 0 close= 0 far= 0 %acc 0.0 +## N5 total= 0 close= 0 far= 0 %acc 0.0 +## N6 total= 200 close= 18 far= 1 %acc 9.5 +## N7 total= 0 close= 0 far= 0 %acc 0.0 +## N8 total= 0 close= 0 far= 0 %acc 0.0 +## N9 total= 0 close= 0 far= 0 %acc 0.0 +##N10 total= 0 close= 0 far= 0 %acc 0.0 +##N11 total= 0 close= 0 far= 0 %acc 0.0 +##N12 total= 0 close= 0 far= 0 %acc 0.0 +##N13 total= 0 close= 0 far= 0 %acc 0.0 +##N14 total= 0 close= 0 far= 0 %acc 0.0 +##N15 total= 0 close= 0 far= 0 %acc 0.0 +##N16 total= 0 close= 0 far= 0 %acc 0.0 +##N17 total= 0 close= 0 far= 0 %acc 0.0 +##N18 total= 0 close= 0 far= 0 %acc 0.0 + Time for refresh 55 0.28 + make_var : nseed= 20 ntry= 420 + Time for make trial 56 0.09 +Nonsetup time 110.22 sec, Eval/s = 65183.21 +Time for iter 56 1.80 sec, Eval/s = 68127.03 + UPDATING 420 + 4 e 588 400 etot -7.8703E+01 mv 1 54 51 -95 0 + 4 e 239 399 etot -7.7776E+01 mv 1 54 51 149 0 + 4 e 123 413 etot -8.7305E+01 mv 0 54 196 0 0 + 4 e 337 398 etot -8.6876E+01 mv 1 54 51 -108 0 + 4 e 382 375 etot -7.2130E+01 mv 1 54 49 193 0 + 4 e 406 373 etot -8.0947E+01 mv 1 54 49 -89 0 + 4 e 148 410 etot -8.4970E+01 mv 0 54 150 0 0 c 150 0.6 0.0 + 4 e 500 372 etot -7.4760E+01 mv 1 54 49 162 0 + 4 e 173 404 etot -8.3995E+01 mv 0 54 42 0 0 + 4 e 303 396 etot -8.6653E+01 mv 1 54 51 121 0 + 4 e 157 407 etot -8.5972E+01 mv 0 54 105 0 0 c 105 2.1 0.0 + -1 e 1 3 etot 1.3528E+20 mv 6 55 9 150 0 + 4 e 121 411 etot -8.7341E+01 mv 0 54 168 0 0 + 4 e 10 419 etot -8.7383E+01 mv 0 54 174 0 0 + 4 e 493 377 etot -8.2261E+01 mv 1 54 1 3 0 + 4 e 438 382 etot -8.2179E+01 mv 1 54 36 32 0 + 4 e 139 405 etot -8.9547E+01 mv 0 54 67 0 0 c 67 1.4 0.0 + 4 e 88 418 etot -8.8097E+01 mv 0 54 124 0 0 c 124 0.2 0.0 + 4 e 349 389 etot -7.3933E+01 mv 1 54 124 48 0 + 4 e 474 374 etot -7.5341E+01 mv 1 54 49 129 0 + 4 e 786 394 etot -6.9937E+01 mv 1 54 174 -117 0 + 4 e 165 414 etot -8.7592E+01 mv 0 54 200 0 0 c 200 1.4 0.0 + 4 e 508 397 etot -7.8760E+01 mv 1 54 51 -76 0 + 4 e 332 395 etot -7.3887E+01 mv 1 54 174 -38 0 + 4 e 439 392 etot -8.7382E+01 mv 1 54 174 115 0 + 4 e 33 420 etot -8.6876E+01 mv 0 54 51 0 0 c 51 0.1 0.0 + 4 e 68 415 etot -8.3551E+01 mv 0 54 49 0 0 + 4 e 322 393 etot -8.7184E+01 mv 1 54 174 -134 0 + 4 e 98 406 etot -8.8559E+01 mv 0 54 96 0 0 + 4 e 290 390 etot -8.8096E+01 mv 1 54 124 -166 0 + 4 e 118 412 etot -8.2266E+01 mv 0 54 175 0 0 c 175 0.8 0.0 + 4 e 250 391 etot -8.6924E+01 mv 1 54 174 -99 0 + 4 e 10 15 etot -8.8115E+01 mv 6 55 15 1 0 c 1 0.0 0.0 + 4 e 75 32 etot -8.3198E+01 mv 6 55 32 37 0 c 37 0.3 0.0 + 4 e 124 25 etot -7.1891E+01 mv 6 55 19 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mv 1 55 132 -139 0 + 4 e 467 365 etot -8.0264E+01 mv 1 55 196 -140 0 + 4 e 240 376 etot -8.8359E+01 mv 1 55 139 120 0 + 4 e 256 384 etot -8.2017E+01 mv 1 55 1 -51 0 + 4 e 109 401 etot -8.3314E+01 mv 0 55 9 0 0 + 4 e 99 402 etot -8.4472E+01 mv 0 55 15 0 0 c 15 1.7 0.0 + 4 e 173 393 etot -8.6516E+01 mv 1 55 174 107 0 + 4 e 453 367 etot -8.5793E+01 mv 1 55 132 -156 0 + 4 e 348 382 etot -8.7850E+01 mv 1 55 1 146 0 + 4 e 183 398 etot -8.7074E+01 mv 1 55 79 -165 0 + 4 e 516 344 etot -8.0662E+01 mv 1 55 96 -56 0 + 4 e 85 403 etot -8.2979E+01 mv 0 55 19 0 0 c 19 1.2 0.0 + 4 e 2 415 etot -9.0747E+01 mv 0 55 24 0 0 + 4 e 2 416 etot -8.8359E+01 mv 0 55 139 0 0 + 4 e 98 404 etot -8.6211E+01 mv 0 55 32 0 0 c 32 1.2 0.0 + 4 e 10 417 etot -8.8115E+01 mv 0 55 1 0 0 + 4 e 2 419 etot -8.7383E+01 mv 0 55 174 0 0 +## N0 total= 21 close= 10 far= 0 %acc 47.6 +## N1 total= 99 close= 4 far= 0 %acc 4.0 +## N2 total= 100 close= 8 far= 0 %acc 8.0 +## N3 total= 0 close= 0 far= 0 %acc 0.0 +## N4 total= 0 close= 0 far= 0 %acc 0.0 +## N5 total= 0 close= 0 far= 0 %acc 0.0 +## N6 total= 200 close= 17 far= 3 %acc 10.0 +## N7 total= 0 close= 0 far= 0 %acc 0.0 +## N8 total= 0 close= 0 far= 0 %acc 0.0 +## N9 total= 0 close= 0 far= 0 %acc 0.0 +##N10 total= 0 close= 0 far= 0 %acc 0.0 +##N11 total= 0 close= 0 far= 0 %acc 0.0 +##N12 total= 0 close= 0 far= 0 %acc 0.0 +##N13 total= 0 close= 0 far= 0 %acc 0.0 +##N14 total= 0 close= 0 far= 0 %acc 0.0 +##N15 total= 0 close= 0 far= 0 %acc 0.0 +##N16 total= 0 close= 0 far= 0 %acc 0.0 +##N17 total= 0 close= 0 far= 0 %acc 0.0 +##N18 total= 0 close= 0 far= 0 %acc 0.0 + Time for refresh 56 0.29 + make_var : nseed= 20 ntry= 420 + Time for make trial 57 0.09 +Nonsetup time 112.05 sec, Eval/s = 65233.83 +Time for iter 57 1.83 sec, Eval/s = 68279.40 + UPDATING 420 + 4 e 127 409 etot -8.8647E+01 mv 0 55 96 0 0 c 96 1.2 0.0 + 4 e 80 418 etot -8.7592E+01 mv 0 55 200 0 0 c 200 0.8 0.0 + 4 e 516 373 etot -7.8901E+01 mv 1 55 24 18 0 + 4 e 96 408 etot -8.3770E+01 mv 0 55 49 0 0 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327 etot -7.6814E+01 mv 1 56 132 -113 0 + 4 e 456 316 etot -8.2027E+01 mv 1 56 80 -166 0 + 4 e 462 317 etot -8.1255E+01 mv 1 56 80 -121 0 + 4 e 468 293 etot -8.7380E+01 mv 2 56 41 -142 0 + 4 e 423 321 etot -8.2917E+01 mv 1 56 97 -77 0 + 4 e 249 338 etot -6.8817E+01 mv 1 56 163 -184 0 + -1 e 1 359 etot 1.3528E+20 mv 1 56 24 136 0 + 4 e 182 346 etot -8.3406E+01 mv 1 56 175 -145 0 c 175 2.5 0.0 + 4 e 321 335 etot -8.9006E+01 mv 1 56 152 -126 0 + 4 e 263 340 etot -7.2277E+01 mv 1 56 163 -112 0 + 4 e 568 318 etot -8.2633E+01 mv 1 56 80 -64 0 + 4 e 244 336 etot -8.2258E+01 mv 1 56 163 -118 0 + 4 e 158 353 etot -8.7383E+01 mv 1 56 174 -80 0 + 4 e 267 348 etot -7.0614E+01 mv 1 56 175 -158 0 + 4 e 215 351 etot -8.7383E+01 mv 1 56 174 103 0 + 4 e 134 356 etot -9.0747E+01 mv 1 56 24 28 0 + 4 e 451 330 etot -8.5837E+01 mv 1 56 132 -5 0 + -1 e 1 370 etot 1.3528E+20 mv 1 56 139 -78 0 + 4 e 367 339 etot -6.8714E+01 mv 1 56 163 -66 0 + 4 e 179 355 etot -8.7383E+01 mv 1 56 174 81 0 + 4 e 351 343 etot 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-8.7772E+01 mv 1 56 36 182 0 + 4 e 244 373 etot -7.3276E+01 mv 1 56 1 -188 0 + 4 e 453 354 etot -8.1854E+01 mv 1 56 174 9 0 + 4 e 427 358 etot -9.0745E+01 mv 1 56 24 -42 0 + 4 e 387 361 etot -7.8530E+01 mv 1 56 161 183 0 + 4 e 260 380 etot -8.8097E+01 mv 1 56 124 -17 0 + 4 e 336 369 etot -7.9698E+01 mv 1 56 139 -191 0 + 4 e 215 384 etot -7.4494E+01 mv 1 56 101 92 0 + 4 e 210 385 etot -8.8087E+01 mv 1 56 101 104 0 + 4 e 553 332 etot -7.1069E+01 mv 1 56 152 -13 0 + 4 e 681 312 etot -7.3389E+01 mv 1 56 72 -78 0 + 4 e 312 376 etot -8.7458E+01 mv 1 56 124 -62 0 + 4 e 552 331 etot -8.0927E+01 mv 1 56 152 -5 0 + 4 e 273 381 etot -8.8086E+01 mv 1 56 101 -182 0 + 4 e 295 382 etot -8.7319E+01 mv 1 56 101 199 0 + 4 e 220 388 etot -8.7772E+01 mv 1 56 36 51 0 + 4 e 74 401 etot -8.6493E+01 mv 0 56 48 0 0 c 48 0.4 0.0 + 4 e 52 407 etot -8.9052E+01 mv 0 56 152 0 0 c 152 0.6 0.0 + 4 e 256 378 etot -8.8097E+01 mv 1 56 124 2 0 + 4 e 365 377 etot -8.7838E+01 mv 1 56 124 -134 0 + 4 e 2 411 etot -8.7383E+01 mv 0 56 174 0 0 + 4 e 2 412 etot -9.0747E+01 mv 0 56 24 0 0 + 4 e 2 414 etot -8.8359E+01 mv 0 56 139 0 0 + 4 e 2 415 etot -8.8115E+01 mv 0 56 1 0 0 + 4 e 10 413 etot -8.8445E+01 mv 0 56 161 0 0 c 161 0.0 0.0 + 4 e 402 357 etot -8.0159E+01 mv 1 56 24 23 0 + 4 e 10 418 etot -8.7772E+01 mv 0 56 36 0 0 c 36 0.0 0.0 +## N0 total= 20 close= 12 far= 0 %acc 60.0 +## N1 total= 100 close= 4 far= 0 %acc 4.0 +## N2 total= 100 close= 4 far= 0 %acc 4.0 +## N3 total= 0 close= 0 far= 0 %acc 0.0 +## N4 total= 0 close= 0 far= 0 %acc 0.0 +## N5 total= 0 close= 0 far= 0 %acc 0.0 +## N6 total= 200 close= 10 far= 1 %acc 5.5 +## N7 total= 0 close= 0 far= 0 %acc 0.0 +## N8 total= 0 close= 0 far= 0 %acc 0.0 +## N9 total= 0 close= 0 far= 0 %acc 0.0 +##N10 total= 0 close= 0 far= 0 %acc 0.0 +##N11 total= 0 close= 0 far= 0 %acc 0.0 +##N12 total= 0 close= 0 far= 0 %acc 0.0 +##N13 total= 0 close= 0 far= 0 %acc 0.0 +##N14 total= 0 close= 0 far= 0 %acc 0.0 +##N15 total= 0 close= 0 far= 0 %acc 0.0 +##N16 total= 0 close= 0 far= 0 %acc 0.0 +##N17 total= 0 close= 0 far= 0 %acc 0.0 +##N18 total= 0 close= 0 far= 0 %acc 0.0 + Time for refresh 57 0.29 + make_var : nseed= 20 ntry= 420 + Time for make trial 58 0.09 +Nonsetup time 113.88 sec, Eval/s = 65265.47 +Time for iter 58 1.83 sec, Eval/s = 67204.92 + UPDATING 420 + 4 e 335 391 etot -8.1432E+01 mv 1 56 41 62 0 + 4 e 119 408 etot -8.2959E+01 mv 0 56 163 0 0 c 163 0.9 0.0 + 4 e 149 410 etot -8.3406E+01 mv 0 56 175 0 0 c 175 1.2 0.0 + 4 e 17 416 etot -8.8097E+01 mv 0 56 124 0 0 c 124 0.0 0.0 + 4 e 300 399 etot -8.7373E+01 mv 1 56 196 -190 0 + 4 e 269 389 etot -8.0103E+01 mv 1 56 36 -152 0 + 4 e 502 366 etot -8.0905E+01 mv 1 56 139 171 0 + 4 e 88 405 etot -8.6178E+01 mv 0 56 97 0 0 c 97 0.6 0.0 + 4 e 254 394 etot -8.6687E+01 mv 1 56 41 -58 0 + 4 e 70 420 etot -8.8680E+01 mv 0 56 196 0 0 c 196 0.5 0.0 + 4 e 371 390 etot -7.7819E+01 mv 1 56 36 -184 0 + 4 e 241 400 etot -8.7942E+01 mv 1 56 196 -34 0 + 4 e 197 398 etot -7.1205E+01 mv 1 56 196 182 0 + 4 e 557 372 etot -7.1607E+01 mv 1 56 1 -199 0 + 4 e 293 393 etot -8.7380E+01 mv 1 56 41 -20 0 + 4 e 276 396 etot -7.4940E+01 mv 1 56 196 -176 0 + 4 e 411 383 etot -8.8085E+01 mv 1 56 101 -119 0 + -1 e 1 8 etot 1.3528E+20 mv 6 57 21 13 0 + 4 e 256 395 etot -8.4196E+01 mv 1 56 41 194 0 + 4 e 511 397 etot -8.7252E+01 mv 1 56 196 -49 0 + 4 e 406 379 etot -8.8095E+01 mv 1 56 124 -178 0 + 4 e 408 387 etot -8.1101E+01 mv 1 56 36 -115 0 + 4 e 118 409 etot -8.8949E+01 mv 0 56 168 0 0 + 4 e 105 402 etot -8.4781E+01 mv 0 56 63 0 0 c 63 1.1 0.0 + 4 e 13 419 etot -8.7381E+01 mv 0 56 41 0 0 c 41 0.0 0.0 + 4 e 319 365 etot -8.8444E+01 mv 1 56 161 100 0 + 4 e 152 404 etot -8.5610E+01 mv 0 56 80 0 0 c 80 0.8 0.0 + 4 e 202 403 etot -8.4892E+01 mv 0 56 72 0 0 + 4 e 110 406 etot -8.5840E+01 mv 0 56 132 0 0 c 132 1.4 0.0 + 4 e 10 417 etot -8.8087E+01 mv 0 56 101 0 0 c 101 0.0 0.0 + 4 e 383 375 etot -8.7939E+01 mv 1 56 1 -100 0 + 4 e 154 392 etot -6.8469E+01 mv 1 56 41 -111 0 + 4 e 16 27 etot -8.4760E+01 mv 6 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111 406 etot -8.4101E+01 mv 0 57 121 0 0 c 121 1.9 0.0 +## N0 total= 20 close= 13 far= 0 %acc 65.0 +## N1 total= 100 close= 7 far= 0 %acc 7.0 +## N2 total= 100 close= 9 far= 1 %acc 10.0 +## N3 total= 0 close= 0 far= 0 %acc 0.0 +## N4 total= 0 close= 0 far= 0 %acc 0.0 +## N5 total= 0 close= 0 far= 0 %acc 0.0 +## N6 total= 200 close= 16 far= 1 %acc 8.5 +## N7 total= 0 close= 0 far= 0 %acc 0.0 +## N8 total= 0 close= 0 far= 0 %acc 0.0 +## N9 total= 0 close= 0 far= 0 %acc 0.0 +##N10 total= 0 close= 0 far= 0 %acc 0.0 +##N11 total= 0 close= 0 far= 0 %acc 0.0 +##N12 total= 0 close= 0 far= 0 %acc 0.0 +##N13 total= 0 close= 0 far= 0 %acc 0.0 +##N14 total= 0 close= 0 far= 0 %acc 0.0 +##N15 total= 0 close= 0 far= 0 %acc 0.0 +##N16 total= 0 close= 0 far= 0 %acc 0.0 +##N17 total= 0 close= 0 far= 0 %acc 0.0 +##N18 total= 0 close= 0 far= 0 %acc 0.0 + Time for refresh 58 0.27 + make_var : nseed= 20 ntry= 420 + Time for make trial 59 0.09 +Nonsetup time 115.61 sec, Eval/s = 65313.43 +Time for iter 59 1.73 sec, Eval/s = 68477.10 + UPDATING 420 + 4 e 520 367 etot -7.5196E+01 mv 1 57 196 -29 0 + 4 e 139 409 etot -8.5429E+01 mv 0 57 171 0 0 c 171 0.4 0.0 + 4 e 67 410 etot -8.2563E+01 mv 0 57 170 0 0 + 4 e 378 378 etot -8.8086E+01 mv 1 57 101 -113 0 + 4 e 356 389 etot -8.4630E+01 mv 1 57 174 -80 0 + 4 e 434 388 etot -8.0745E+01 mv 1 57 174 -23 0 + 4 e 574 399 etot -8.2182E+01 mv 1 57 41 -128 0 + 4 e 287 393 etot -8.8050E+01 mv 1 57 122 -4 0 + 4 e 226 395 etot -8.8050E+01 mv 1 57 122 115 0 + 4 e 10 417 etot -8.7603E+01 mv 0 57 183 0 0 c 183 0.0 0.0 + 4 e 118 407 etot -8.4843E+01 mv 0 57 130 0 0 + 4 e 662 398 etot -8.7379E+01 mv 1 57 41 49 0 + 4 e 333 381 etot -7.5189E+01 mv 1 57 183 -30 0 + 4 e 124 405 etot -8.7107E+01 mv 0 57 79 0 0 c 79 1.5 0.0 + 4 e 79 419 etot -8.8051E+01 mv 0 57 122 0 0 c 122 0.4 0.0 + 4 e 107 408 etot -8.9188E+01 mv 0 57 168 0 0 + 4 e 439 391 etot -8.9526E+01 mv 1 57 122 133 0 + 4 e 579 384 etot -7.3509E+01 mv 1 57 183 -76 0 + 4 e 88 414 etot -8.8680E+01 mv 0 57 196 0 0 c 196 0.2 0.0 + 4 e 214 400 etot -8.7380E+01 mv 1 57 41 196 0 + 4 e 13 420 etot -8.7381E+01 mv 0 57 41 0 0 + 4 e 166 403 etot -8.4326E+01 mv 0 57 47 0 0 + 4 e 10 416 etot -8.8087E+01 mv 0 57 101 0 0 + 4 e 254 377 etot -8.6656E+01 mv 1 57 101 -126 0 + 4 e 509 385 etot -8.2659E+01 mv 1 57 183 50 0 + 4 e 406 392 etot -8.8048E+01 mv 1 57 122 111 0 + 4 e 373 394 etot -7.3377E+01 mv 1 57 122 -12 0 + 4 e 2 418 etot -8.7383E+01 mv 0 57 174 0 0 + 4 e 342 371 etot -8.8113E+01 mv 1 57 1 33 0 + 4 e 527 387 etot -8.6593E+01 mv 1 57 174 189 0 + 4 e 555 382 etot -7.3371E+01 mv 1 57 183 -57 0 + -1 e 1 30 etot 1.3528E+20 mv 6 58 43 96 0 + 4 e 165 29 etot -6.8789E+01 mv 6 58 43 199 0 + 4 e 155 19 etot -7.1456E+01 mv 6 58 42 10 0 + 4 e 174 22 etot -6.8556E+01 mv 6 58 43 110 0 + 4 e 176 12 etot -8.5643E+01 mv 6 58 42 48 0 c 42 3.0 0.0 + 4 e 181 26 etot -7.8331E+01 mv 6 58 43 190 0 + 4 e 217 5 etot -8.3855E+01 mv 6 58 26 160 0 + 4 e 211 20 etot -8.5643E+01 mv 6 58 42 174 0 + 4 e 212 17 etot -8.5643E+01 mv 6 58 42 12 0 + 4 e 236 7 etot -8.6177E+01 mv 6 58 26 27 0 c 26 3.0 0.0 + 4 e 220 13 etot -8.7139E+01 mv 6 58 42 174 0 c 97 3.2 0.0 + 4 e 237 6 etot -8.8445E+01 mv 6 58 26 147 0 + 4 e 247 11 etot -7.1190E+01 mv 6 58 42 199 0 + 4 e 251 8 etot -7.9550E+01 mv 6 58 26 98 0 + 4 e 280 4 etot -7.9128E+01 mv 6 58 26 73 0 + 4 e 293 14 etot -8.5777E+01 mv 6 58 42 130 0 + 4 e 279 2 etot -6.9220E+01 mv 6 58 26 73 0 + -1 e 1 48 etot 1.3528E+20 mv 6 58 74 118 0 + 4 e 276 21 etot -8.3927E+01 mv 6 58 43 143 0 c 43 6.1 0.0 + 4 e 291 1 etot -8.0550E+01 mv 6 58 26 3 0 + 4 e 311 10 etot -8.4574E+01 mv 6 58 26 29 0 c 29 33.1 0.0 + 4 e 326 23 etot -8.4576E+01 mv 6 58 43 38 0 c 43 252.6 0.6 + 4 e 305 27 etot -8.7939E+01 mv 6 58 43 1 0 + 4 e 359 9 etot -7.6036E+01 mv 6 58 26 32 0 + -1 e 1 55 etot 5.6540E+36 mv 6 58 95 76 0 + 4 e 348 3 etot -8.6797E+01 mv 6 58 26 157 0 + 4 e 407 32 etot -8.5918E+01 mv 6 58 47 133 0 c 47 71.9 1.4 + 4 e 358 25 etot -8.8202E+01 mv 6 58 43 85 0 + 4 e 416 31 etot -7.6698E+01 mv 6 58 47 106 0 + 4 e 291 43 etot -7.9226E+01 mv 6 58 74 123 0 + 4 e 162 49 etot -6.8993E+01 mv 6 58 74 169 0 + 4 e 441 16 etot -8.4752E+01 mv 6 58 42 71 0 + 4 e 305 34 etot -8.3945E+01 mv 6 58 47 69 0 + 4 e 226 42 etot -8.5080E+01 mv 6 58 74 109 0 + 4 e 298 40 etot -8.4435E+01 mv 6 58 47 143 0 + -1 e 1 66 etot 1.3528E+20 mv 6 58 97 29 0 + -1 e 1 67 etot 1.7630E+20 mv 6 58 97 173 0 + 4 e 300 36 etot -7.9886E+01 mv 6 58 47 172 0 + 4 e 260 45 etot -7.2785E+01 mv 6 58 74 191 0 + 4 e 529 28 etot -8.1805E+01 mv 6 58 43 130 0 + -1 e 1 71 etot 1.3528E+20 mv 6 58 101 143 0 + 4 e 282 44 etot -8.3705E+01 mv 6 58 74 100 0 c 74 220.5 1.1 + 4 e 453 38 etot -8.1465E+01 mv 6 58 47 96 0 + 4 e 478 24 etot -7.9720E+01 mv 6 58 43 132 0 + 4 e 598 18 etot -7.9930E+01 mv 6 58 42 182 0 + 4 e 557 15 etot -8.2866E+01 mv 6 58 42 88 0 + 4 e 250 51 etot -7.8790E+01 mv 6 58 95 180 0 + 4 e 12 78 etot -8.6976E+01 mv 6 58 101 162 0 c 162 0.0 0.0 + 4 e 328 37 etot -8.1818E+01 mv 6 58 47 109 0 + -1 e 1 80 etot 4.6226E+22 mv 6 58 101 16 0 + 4 e 384 35 etot -7.8668E+01 mv 6 58 47 166 0 + 4 e 249 57 etot -8.4185E+01 mv 6 58 95 86 0 + 4 e 61 79 etot -8.6327E+01 mv 6 58 101 197 0 c 197 0.3 0.0 + 4 e 488 46 etot -8.1240E+01 mv 6 58 74 42 0 + 4 e 366 39 etot -7.7945E+01 mv 6 58 47 175 0 + 4 e 217 58 etot -8.4327E+01 mv 6 58 95 14 0 + 4 e 286 56 etot -8.4152E+01 mv 6 58 95 150 0 + 4 e 437 47 etot -7.9241E+01 mv 6 58 74 16 0 + 4 e 310 54 etot -8.3160E+01 mv 6 58 95 122 0 + 4 e 318 62 etot -8.8202E+01 mv 6 58 97 44 0 + 4 e 307 68 etot -7.4058E+01 mv 6 58 97 69 0 + 4 e 691 41 etot -7.6894E+01 mv 6 58 74 164 0 + 4 e 184 73 etot -8.8207E+01 mv 6 58 101 30 0 c 101 2.2 0.0 + 4 e 414 64 etot -7.2829E+01 mv 6 58 97 174 0 + 4 e 496 50 etot -8.3524E+01 mv 6 58 74 82 0 f 33 412.2 1.0 + 4 e 460 61 etot -7.9063E+01 mv 6 58 97 92 0 + -1 e 1 97 etot 1.3528E+20 mv 6 58 130 184 0 + 4 e 423 52 etot -8.5651E+01 mv 6 58 95 100 0 + 4 e 606 33 etot -8.3085E+01 mv 6 58 47 175 0 + 4 e 366 65 etot -7.2926E+01 mv 6 58 97 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4 e 297 89 etot -8.4656E+01 mv 6 58 118 153 0 c 118 119.3 0.6 + 4 e 515 69 etot -7.8179E+01 mv 6 58 97 60 0 + 4 e 35 119 etot -9.1042E+01 mv 6 58 168 117 0 c 117 0.1 0.0 + 4 e 450 59 etot -7.4348E+01 mv 6 58 95 200 0 + -1 e 1 124 etot 1.3528E+20 mv 6 58 170 169 0 + 4 e 205 102 etot -8.6309E+01 mv 6 58 140 80 0 + 4 e 511 60 etot -8.1760E+01 mv 6 58 95 26 0 + 4 e 509 77 etot -8.7536E+01 mv 6 58 101 35 0 + 4 e 377 88 etot -8.4086E+01 mv 6 58 118 81 0 + 4 e 400 72 etot -8.2150E+01 mv 6 58 101 38 0 + -1 e 1 130 etot 1.3528E+20 mv 6 58 170 60 0 + 4 e 256 90 etot -7.7092E+01 mv 6 58 118 18 0 + 4 e 399 93 etot -8.1772E+01 mv 6 58 130 108 0 + -1 e 1 134 etot 1.3528E+20 mv 6 58 193 176 0 + -1 e 1 135 etot 1.3528E+20 mv 6 58 193 137 0 + 4 e 398 91 etot -7.9027E+01 mv 6 58 130 88 0 + 4 e 373 81 etot -8.3197E+01 mv 6 58 118 37 0 + -1 e 1 138 etot 1.3528E+20 mv 6 58 193 145 0 + 4 e 403 94 etot -8.3812E+01 mv 6 58 130 66 0 + 4 e 345 101 etot -8.6309E+01 mv 6 58 140 78 0 + 4 e 266 113 etot -8.9400E+01 mv 6 58 168 112 0 c 168 2.7 0.0 + -1 e 1 142 etot 1.3528E+20 mv 6 58 185 76 0 + 4 e 281 109 etot -7.8380E+01 mv 6 58 140 133 0 + 4 e 269 100 etot -8.7856E+01 mv 6 58 130 84 0 + 4 e 609 86 etot -8.4213E+01 mv 6 58 118 196 0 + 4 e 332 105 etot -6.9828E+01 mv 6 58 140 8 0 + -1 e 1 147 etot 1.1627E+23 mv 6 58 185 47 0 + 4 e 200 123 etot -8.1890E+01 mv 6 58 170 102 0 + 4 e 465 75 etot -8.1630E+01 mv 6 58 101 188 0 + -1 e 1 150 etot 1.3528E+20 mv 6 58 185 187 0 + -1 e 1 151 etot 1.3528E+20 mv 6 58 3 32 0 + 4 e 304 116 etot -7.2531E+01 mv 6 58 168 16 0 + 4 e 226 129 etot -7.2572E+01 mv 6 58 170 63 0 + 4 e 385 106 etot -7.7242E+01 mv 6 58 140 31 0 + 4 e 288 122 etot -8.2883E+01 mv 6 58 170 127 0 c 170 49.9 0.1 + 4 e 412 110 etot -8.3261E+01 mv 6 58 140 122 0 + 4 e 312 121 etot -8.2455E+01 mv 6 58 170 190 0 + 4 e 492 103 etot -8.0607E+01 mv 6 58 140 61 0 + 4 e 361 118 etot -8.5417E+01 mv 6 58 168 124 0 + 4 e 215 136 etot -8.6738E+01 mv 6 58 193 40 0 c 193 2.4 0.0 + -1 e 1 161 etot 1.3528E+20 mv 6 58 139 16 0 + 4 e 261 120 etot -7.2462E+01 mv 6 58 168 21 0 + 4 e 432 114 etot -8.4421E+01 mv 6 58 168 166 0 + 4 e 352 132 etot -8.4979E+01 mv 6 58 193 84 0 + 4 e 537 112 etot -8.0785E+01 mv 6 58 168 21 0 + 4 e 300 137 etot -8.0795E+01 mv 6 58 193 93 0 + -1 e 1 167 etot 4.7896E+27 mv 6 58 139 118 0 + 4 e 208 153 etot -8.8359E+01 mv 6 58 3 139 0 + 4 e 539 115 etot -7.6026E+01 mv 6 58 168 95 0 + 4 e 298 131 etot -6.4381E+01 mv 6 58 193 106 0 + 4 e 331 140 etot -8.6779E+01 mv 6 58 193 4 0 c 193 56.7 0.0 + 4 e 293 149 etot -8.7305E+01 mv 6 58 185 88 0 + 4 e 329 143 etot -7.2060E+01 mv 6 58 185 91 0 + -1 e 1 174 etot 1.3528E+20 mv 6 58 1 80 0 + 4 e 355 141 etot -7.3587E+01 mv 6 58 185 186 0 + 4 e 329 128 etot -8.0122E+01 mv 6 58 170 31 0 + -1 e 1 177 etot 1.3528E+20 mv 6 58 1 59 0 + 4 e 253 154 etot -8.4888E+01 mv 6 58 3 57 0 + 4 e 499 127 etot -8.2409E+01 mv 6 58 170 84 0 + 4 e 342 148 etot -8.0411E+01 mv 6 58 185 160 0 + 4 e 52 175 etot -8.5924E+01 mv 6 58 1 85 0 c 85 0.1 0.0 + 4 e 258 157 etot -8.4659E+01 mv 6 58 3 197 0 + 4 e 353 125 etot -8.2099E+01 mv 6 58 170 77 0 + 4 e 401 144 etot -8.1827E+01 mv 6 58 185 122 0 + 4 e 331 133 etot -7.1740E+01 mv 6 58 193 142 0 + 4 e 609 126 etot -8.0855E+01 mv 6 58 170 125 0 + 4 e 342 155 etot -9.0331E+01 mv 6 58 3 196 0 + -1 e 1 187 etot 1.3528E+20 mv 6 58 124 190 0 + 4 e 116 176 etot -7.0396E+01 mv 6 58 1 84 0 + -1 e 1 190 etot 1.3528E+20 mv 6 58 124 107 0 + 4 e 313 145 etot -6.9725E+01 mv 6 58 185 195 0 + 4 e 308 159 etot -9.0744E+01 mv 6 58 3 25 0 + 4 e 329 139 etot -7.7867E+01 mv 6 58 193 125 0 + 4 e 260 152 etot -8.4327E+01 mv 6 58 3 41 0 + -1 e 1 195 etot 7.7642E+24 mv 6 58 183 111 0 + 4 e 212 168 etot -8.2341E+01 mv 6 58 139 187 0 + 4 e 393 156 etot -8.1388E+01 mv 6 58 3 53 0 + 4 e 358 160 etot -9.2231E+01 mv 6 58 3 113 0 + 4 e 361 162 etot -8.8025E+01 mv 6 58 139 88 0 c 88 155.9 0.7 + 4 e 350 164 etot -8.7344E+01 mv 6 58 139 103 0 + 4 e 528 146 etot -7.8871E+01 mv 6 58 185 138 0 + 4 e 251 172 etot -8.6268E+01 mv 6 58 1 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13.0 +## N7 total= 0 close= 0 far= 0 %acc 0.0 +## N8 total= 0 close= 0 far= 0 %acc 0.0 +## N9 total= 0 close= 0 far= 0 %acc 0.0 +##N10 total= 0 close= 0 far= 0 %acc 0.0 +##N11 total= 0 close= 0 far= 0 %acc 0.0 +##N12 total= 0 close= 0 far= 0 %acc 0.0 +##N13 total= 0 close= 0 far= 0 %acc 0.0 +##N14 total= 0 close= 0 far= 0 %acc 0.0 +##N15 total= 0 close= 0 far= 0 %acc 0.0 +##N16 total= 0 close= 0 far= 0 %acc 0.0 +##N17 total= 0 close= 0 far= 0 %acc 0.0 +##N18 total= 0 close= 0 far= 0 %acc 0.0 + Time for refresh 59 0.28 + make_var : nseed= 20 ntry= 420 + Time for make trial 60 0.09 +Nonsetup time 117.46 sec, Eval/s = 65370.53 +Time for iter 60 1.85 sec, Eval/s = 68943.02 + UPDATING 420 + 4 e 163 405 etot -8.2621E+01 mv 0 58 74 0 0 + 4 e 98 410 etot -8.5563E+01 mv 0 58 130 0 0 c 130 1.2 0.0 + 4 e 311 397 etot -8.0387E+01 mv 1 58 183 85 0 + 4 e 106 408 etot -8.8207E+01 mv 0 58 101 0 0 c 101 0.7 0.0 + 4 e 453 384 etot -8.2272E+01 mv 1 58 139 -156 0 + 4 e 319 386 etot -8.7735E+01 mv 1 58 1 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59 1 198 0 + 4 e 370 185 etot -7.2536E+01 mv 6 59 1 50 0 + 4 e 304 188 etot -8.0150E+01 mv 6 59 1 160 0 + 4 e 315 187 etot -8.2460E+01 mv 6 59 1 14 0 + 4 e 158 206 etot -8.4576E+01 mv 2 59 29 -132 0 c 29 1.2 0.0 + 4 e 229 201 etot -8.3006E+01 mv 2 59 7 -69 0 + 4 e 244 202 etot -6.8632E+01 mv 2 59 7 -97 0 + 4 e 476 179 etot -8.4370E+01 mv 6 59 84 73 0 + 4 e 537 172 etot -8.0208E+01 mv 6 59 84 146 0 + 4 e 463 181 etot -8.6398E+01 mv 6 59 1 168 0 + 4 e 438 166 etot -8.3440E+01 mv 6 59 161 110 0 + 4 e 224 207 etot -5.4868E+01 mv 2 59 29 -121 0 + 4 e 708 163 etot -8.3923E+01 mv 6 59 161 94 0 + 4 e 432 190 etot -8.4262E+01 mv 6 59 1 92 0 + 4 e 242 195 etot -7.5555E+01 mv 6 59 124 191 0 + 4 e 382 193 etot -7.3998E+01 mv 6 59 124 77 0 + 4 e 306 205 etot -7.1605E+01 mv 2 59 7 -77 0 + -1 e 1 228 etot 1.3528E+20 mv 2 59 55 -98 0 + 4 e 280 208 etot -6.6120E+01 mv 2 59 29 -63 0 + 4 e 440 189 etot -8.8116E+01 mv 6 59 1 196 0 + 4 e 255 199 etot -8.7884E+01 mv 6 59 124 148 0 + 4 e 418 198 etot 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362 246 etot -7.9240E+01 mv 2 59 118 -22 0 + 4 e 260 257 etot -6.4614E+01 mv 2 59 170 -76 0 + 4 e 372 247 etot -6.9744E+01 mv 2 59 118 -66 0 + 4 e 209 262 etot -6.3356E+01 mv 2 59 193 -59 0 + 4 e 318 241 etot -7.2252E+01 mv 2 59 111 -40 0 + 4 e 468 222 etot -6.8904E+01 mv 2 59 47 -110 0 + -1 e 1 279 etot 1.3528E+20 mv 2 59 3 -136 0 + 4 e 270 260 etot -8.1940E+01 mv 2 59 170 -105 0 + 4 e 350 253 etot -7.4803E+01 mv 2 59 140 -145 0 + 4 e 346 255 etot -8.0098E+01 mv 2 59 140 -158 0 + 4 e 317 258 etot -5.9336E+01 mv 2 59 170 -167 0 + 4 e 172 268 etot -7.6620E+01 mv 2 59 90 -189 0 + 4 e 240 267 etot -7.6452E+01 mv 2 59 90 -196 0 + 4 e 307 264 etot -7.8461E+01 mv 2 59 193 -167 0 + 4 e 358 261 etot -8.0398E+01 mv 2 59 193 -194 0 + -1 e 1 287 etot 1.3528E+20 mv 2 59 84 -90 0 + 4 e 221 270 etot -7.7096E+01 mv 2 59 90 -98 0 + 4 e 435 259 etot -6.5513E+01 mv 2 59 170 -121 0 + 4 e 835 223 etot -8.4735E+01 mv 2 59 47 -51 0 + 4 e 469 252 etot -6.2342E+01 mv 2 59 140 -91 0 + 4 e 200 276 etot -9.0745E+01 mv 2 59 3 87 0 + 4 e 261 273 etot -8.0770E+01 mv 2 59 24 156 0 + 4 e 135 286 etot -8.9605E+01 mv 2 59 84 148 0 + 4 e 506 240 etot -8.4425E+01 mv 2 59 88 -194 0 + 4 e 216 281 etot -8.7094E+01 mv 2 59 161 -77 0 + 4 e 485 242 etot -4.3150E+01 mv 2 59 111 -153 0 + 4 e 488 243 etot -6.1630E+01 mv 2 59 111 -166 0 + -1 e 1 299 etot 4.6592E+23 mv 2 59 124 -67 0 + -1 e 1 301 etot 1.3528E+20 mv 1 59 7 -80 0 + 4 e 282 274 etot -9.0746E+01 mv 2 59 24 105 0 + 4 e 273 275 etot -9.0746E+01 mv 2 59 24 41 0 + 4 e 586 232 etot -7.2857E+01 mv 2 59 74 -67 0 + 4 e 437 265 etot -8.1071E+01 mv 2 59 193 -74 0 + 4 e 619 226 etot -8.4228E+01 mv 2 59 55 -69 0 + -1 e 1 307 etot 1.3528E+20 mv 1 59 29 -160 0 + 4 e 251 282 etot -7.8197E+01 mv 2 59 161 -27 0 + -1 e 1 309 etot 1.3528E+20 mv 1 59 29 -112 0 + 4 e 140 290 etot -8.9605E+01 mv 2 59 84 109 0 + 4 e 374 271 etot -7.7360E+01 mv 2 59 24 96 0 + 4 e 416 254 etot -7.6131E+01 mv 2 59 140 -120 0 + 4 e 513 266 etot -8.1066E+01 mv 2 59 90 27 0 + -1 e 1 314 etot 1.3528E+20 mv 1 59 33 -98 0 + 4 e 375 277 etot -7.4153E+01 mv 2 59 3 -67 0 + 4 e 258 289 etot -8.6914E+01 mv 2 59 84 21 0 + 4 e 213 293 etot -8.8115E+01 mv 2 59 1 47 0 + 4 e 496 269 etot -8.5224E+01 mv 2 59 90 67 0 + 4 e 194 298 etot -8.8097E+01 mv 2 59 124 107 0 + 4 e 309 288 etot -8.9605E+01 mv 2 59 84 176 0 + 4 e 398 284 etot -8.2793E+01 mv 2 59 161 90 0 + 4 e 274 294 etot -8.2263E+01 mv 2 59 1 104 0 + 4 e 252 296 etot -8.8096E+01 mv 2 59 124 -99 0 + 4 e 340 291 etot -7.3030E+01 mv 2 59 1 -64 0 + 4 e 697 263 etot -8.7016E+01 mv 2 59 193 -95 0 c 193 61.9 0.2 + 4 e 191 311 etot -8.3527E+01 mv 1 59 33 -136 0 c 33 4.5 0.0 + 4 e 258 306 etot -8.3091E+01 mv 1 59 29 -38 0 + 4 e 389 278 etot -7.9082E+01 mv 2 59 3 158 0 + 4 e 482 285 etot -7.5083E+01 mv 2 59 161 -90 0 + 4 e 282 304 etot -8.3597E+01 mv 1 59 7 -101 0 + 4 e 191 315 etot -8.3527E+01 mv 1 59 33 -3 0 c 33 1.2 0.0 + 4 e 194 316 etot -8.4578E+01 mv 1 59 43 -17 0 + 4 e 594 272 etot -8.4843E+01 mv 2 59 24 193 0 + 4 e 421 292 etot -8.6564E+01 mv 2 59 1 78 0 + 4 e 255 305 etot -8.3597E+01 mv 1 59 7 -57 0 + 4 e 246 308 etot -7.4834E+01 mv 1 59 29 -137 0 + 4 e 344 310 etot -8.4575E+01 mv 1 59 29 -96 0 + 4 e 199 322 etot -6.4919E+01 mv 1 59 47 -23 0 + 4 e 292 300 etot -8.8096E+01 mv 2 59 124 -52 0 + 4 e 602 283 etot -8.2793E+01 mv 2 59 161 12 0 + 4 e 336 318 etot -8.4136E+01 mv 1 59 43 -82 0 + 4 e 484 303 etot -8.4429E+01 mv 1 59 7 -3 0 c 110 312.2 0.1 + 4 e 547 295 etot -8.4747E+01 mv 2 59 1 81 0 + 4 e 211 331 etot -8.3706E+01 mv 1 59 74 -197 0 + 4 e 257 325 etot -8.6520E+01 mv 1 59 47 -93 0 c 47 162.1 0.2 + 4 e 364 320 etot -6.7677E+01 mv 1 59 43 -127 0 + 4 e 174 338 etot -7.4265E+01 mv 1 59 88 -47 0 + 4 e 336 330 etot -8.5342E+01 mv 1 59 55 -169 0 + 4 e 352 328 etot -5.9215E+01 mv 1 59 55 -188 0 + 4 e 599 280 etot -8.4028E+01 mv 2 59 3 -97 0 + 4 e 565 312 etot -7.5218E+01 mv 1 59 33 -161 0 + -1 e 1 351 etot 1.3528E+20 mv 1 59 140 -172 0 + -1 e 1 353 etot 1.3528E+20 mv 1 59 140 -18 0 + 4 e 294 335 etot -8.3705E+01 mv 1 59 74 -32 0 + 4 e 345 332 etot -8.3604E+01 mv 1 59 74 -136 0 + 4 e 479 321 etot -8.6177E+01 mv 1 59 47 -112 0 + 4 e 523 319 etot -8.2957E+01 mv 1 59 43 -126 0 + 4 e 407 313 etot -8.3526E+01 mv 1 59 33 -46 0 + 4 e 585 317 etot -8.2882E+01 mv 1 59 43 -64 0 + 4 e 479 323 etot -7.0354E+01 mv 1 59 47 -117 0 + 4 e 213 346 etot -8.4657E+01 mv 1 59 118 -104 0 + 4 e 240 336 etot -8.8026E+01 mv 1 59 88 -67 0 c 88 2.4 0.0 + 4 e 416 333 etot -6.4742E+01 mv 1 59 74 -97 0 + 4 e 481 327 etot -7.4629E+01 mv 1 59 55 -64 0 + 4 e 527 326 etot -7.8079E+01 mv 1 59 55 -108 0 + 4 e 247 340 etot -8.8025E+01 mv 1 59 88 -52 0 + 4 e 373 341 etot -8.2430E+01 mv 1 59 111 -117 0 + 4 e 572 324 etot -8.0237E+01 mv 1 59 47 -60 0 + 4 e 174 349 etot -8.4658E+01 mv 1 59 118 -182 0 + 4 e 564 302 etot -8.0335E+01 mv 1 59 7 -137 0 + 4 e 174 356 etot -8.3298E+01 mv 1 59 170 -93 0 c 170 2.4 0.0 + 4 e 382 329 etot -7.4775E+01 mv 1 59 55 -132 0 + 4 e 355 343 etot -8.3424E+01 mv 1 59 111 -83 0 + 4 e 196 355 etot -8.6009E+01 mv 1 59 140 -127 0 + 4 e 553 334 etot -8.3492E+01 mv 1 59 74 -67 0 + 4 e 320 337 etot -7.5121E+01 mv 1 59 88 -6 0 + 4 e 446 339 etot -7.2420E+01 mv 1 59 88 -19 0 + 4 e 246 350 etot -7.3042E+01 mv 1 59 118 -134 0 + 4 e 247 357 etot -6.5164E+01 mv 1 59 170 -61 0 + 4 e 399 344 etot -8.2528E+01 mv 1 59 111 -65 0 + 4 e 127 368 etot -8.7008E+01 mv 1 59 90 126 0 + 4 e 302 352 etot -8.4242E+01 mv 1 59 140 -111 0 + 4 e 154 370 etot -8.7008E+01 mv 1 59 90 15 0 + 4 e 264 360 etot -8.3298E+01 mv 1 59 170 -185 0 + 4 e 706 297 etot -8.2023E+01 mv 2 59 124 -30 0 + 4 e 218 366 etot -8.7008E+01 mv 1 59 90 183 0 + 4 e 165 367 etot -8.2674E+01 mv 1 59 90 57 0 + 4 e 275 365 etot -8.6265E+01 mv 1 59 193 -119 0 + 4 e 309 362 etot -6.4924E+01 mv 1 59 193 -5 0 + 4 e 501 347 etot -6.5453E+01 mv 1 59 118 -111 0 + 4 e 487 348 etot -8.0324E+01 mv 1 59 118 -126 0 + 4 e 252 369 etot -7.5628E+01 mv 1 59 90 -188 0 + 4 e 350 361 etot -7.4624E+01 mv 1 59 193 -122 0 + 4 e 207 375 etot -9.0747E+01 mv 1 59 24 62 0 + 4 e 150 377 etot -7.6598E+01 mv 1 59 3 82 0 + 4 e 597 345 etot -7.5568E+01 mv 1 59 111 -25 0 + 4 e 650 342 etot -7.9194E+01 mv 1 59 111 -184 0 + 4 e 257 376 etot -9.0745E+01 mv 1 59 3 50 0 + 4 e 402 364 etot -7.4622E+01 mv 1 59 193 -191 0 + 4 e 305 372 etot -9.0761E+01 mv 1 59 24 -176 0 c 24 90.2 0.0 + 4 e 112 390 etot -8.9606E+01 mv 1 59 84 -8 0 + 4 e 285 363 etot -7.4624E+01 mv 1 59 193 -179 0 + 4 e 262 380 etot -9.0745E+01 mv 1 59 3 -32 0 + 4 e 325 374 etot -6.9019E+01 mv 1 59 24 165 0 + 4 e 324 379 etot -9.0744E+01 mv 1 59 3 90 0 + 4 e 545 358 etot -8.3296E+01 mv 1 59 170 -147 0 + 4 e 300 382 etot -8.8687E+01 mv 1 59 161 133 0 c 161 34.5 0.2 + 4 e 335 381 etot -7.4088E+01 mv 1 59 161 -176 0 + 4 e 157 388 etot -8.9605E+01 mv 1 59 84 -68 0 + 4 e 296 373 etot -9.0746E+01 mv 1 59 24 -107 0 + 4 e 119 402 etot -8.4576E+01 mv 0 59 29 0 0 c 29 1.0 0.0 + 4 e 182 386 etot -8.9605E+01 mv 1 59 84 186 0 + 4 e 401 378 etot -8.5326E+01 mv 1 59 3 -46 0 + 4 e 116 405 etot -8.5919E+01 mv 0 59 47 0 0 + 4 e 250 392 etot -7.6625E+01 mv 1 59 1 177 0 + 4 e 2 415 etot -9.0747E+01 mv 0 59 24 0 0 + 4 e 330 371 etot -7.8901E+01 mv 1 59 24 15 0 + 4 e 10 414 etot -8.7008E+01 mv 0 59 90 0 0 c 90 0.0 0.0 + 4 e 2 417 etot -8.8445E+01 mv 0 59 161 0 0 +## N0 total= 21 close= 9 far= 0 %acc 42.9 +## N1 total= 99 close= 8 far= 0 %acc 8.1 +## N2 total= 100 close= 4 far= 0 %acc 4.0 +## N3 total= 0 close= 0 far= 0 %acc 0.0 +## N4 total= 0 close= 0 far= 0 %acc 0.0 +## N5 total= 0 close= 0 far= 0 %acc 0.0 +## N6 total= 200 close= 19 far= 0 %acc 9.5 +## N7 total= 0 close= 0 far= 0 %acc 0.0 +## N8 total= 0 close= 0 far= 0 %acc 0.0 +## N9 total= 0 close= 0 far= 0 %acc 0.0 +##N10 total= 0 close= 0 far= 0 %acc 0.0 +##N11 total= 0 close= 0 far= 0 %acc 0.0 +##N12 total= 0 close= 0 far= 0 %acc 0.0 +##N13 total= 0 close= 0 far= 0 %acc 0.0 +##N14 total= 0 close= 0 far= 0 %acc 0.0 +##N15 total= 0 close= 0 far= 0 %acc 0.0 +##N16 total= 0 close= 0 far= 0 %acc 0.0 +##N17 total= 0 close= 0 far= 0 %acc 0.0 +##N18 total= 0 close= 0 far= 0 %acc 0.0 + Time for refresh 60 0.34 + make_var : nseed= 20 ntry= 420 + Time for make trial 61 0.07 +Nonsetup time 119.33 sec, Eval/s = 65386.45 +Time for iter 61 1.87 sec, Eval/s = 66386.30 + UPDATING 420 + 4 e 164 401 etot -8.3598E+01 mv 0 59 7 0 0 + 4 e 262 398 etot -8.8097E+01 mv 1 59 124 119 0 + 4 e 662 383 etot -8.8443E+01 mv 1 59 161 -99 0 + 4 e 417 391 etot -8.8113E+01 mv 1 59 1 -79 0 + 4 e 10 420 etot -8.8097E+01 mv 0 59 124 0 0 + 4 e 141 412 etot -8.3298E+01 mv 0 59 170 0 0 + 4 e 401 384 etot -7.9757E+01 mv 1 59 161 23 0 + 4 e 296 399 etot -8.8096E+01 mv 1 59 124 32 0 + 4 e 17 416 etot -9.0746E+01 mv 0 59 3 0 0 + 4 e 295 395 etot -8.6947E+01 mv 1 59 1 -30 0 + -1 e 1 2 etot 1.3528E+20 mv 6 60 7 187 0 + 4 e 270 397 etot -8.8097E+01 mv 1 59 124 -7 0 + 4 e 122 408 etot -8.8026E+01 mv 0 59 88 0 0 c 88 2.1 0.0 + 4 e 2 419 etot -8.8115E+01 mv 0 59 1 0 0 + 4 e 148 404 etot -8.4578E+01 mv 0 59 43 0 0 + 4 e 548 387 etot -8.2341E+01 mv 1 59 84 195 0 + 4 e 159 406 etot -8.5343E+01 mv 0 59 55 0 0 c 55 1.4 0.0 + 4 e 239 400 etot -8.8097E+01 mv 1 59 124 54 0 + 4 e 126 407 etot -8.3706E+01 mv 0 59 74 0 0 + 4 e 450 385 etot -8.5823E+01 mv 1 59 161 39 0 + 4 e 471 389 etot -8.1593E+01 mv 1 59 84 -9 0 + 4 e 220 409 etot -8.2636E+01 mv 0 59 111 0 0 + 4 e 386 394 etot -8.0411E+01 mv 1 59 1 -190 0 + 4 e 602 393 etot -8.8113E+01 mv 1 59 1 9 0 + 4 e 138 413 etot -8.6780E+01 mv 0 59 193 0 0 + 4 e 528 354 etot -7.2392E+01 mv 1 59 140 -121 0 + 4 e 447 396 etot -7.9501E+01 mv 1 59 124 -140 0 + 4 e 74 411 etot -8.6692E+01 mv 0 59 140 0 0 c 140 0.4 0.0 + -1 e 1 22 etot 1.3528E+20 mv 6 60 24 121 0 + 4 e 549 359 etot -8.3297E+01 mv 1 59 170 -199 0 + 4 e 126 410 etot -8.4658E+01 mv 0 59 118 0 0 + 4 e 135 403 etot -8.3527E+01 mv 0 59 33 0 0 c 33 1.2 0.0 + -1 e 1 25 etot 1.3528E+20 mv 6 60 24 111 0 + 4 e 26 418 etot -8.9606E+01 mv 0 59 84 0 0 c 84 0.0 0.0 + -1 e 1 31 etot 1.3528E+20 mv 6 60 25 109 0 + -1 e 1 33 etot 8.1272E+20 mv 6 60 25 189 0 + 4 e 97 13 etot -8.5972E+01 mv 6 60 14 105 0 c 105 0.2 0.0 + -1 e 1 37 etot 1.3528E+20 mv 6 60 25 104 0 + 4 e 135 26 etot -7.8293E+01 mv 6 60 24 199 0 + 4 e 178 30 etot -9.0761E+01 mv 6 60 24 50 0 c 24 1.8 0.0 + 4 e 223 27 etot -9.0761E+01 mv 6 60 24 71 0 + 4 e 240 10 etot -7.2882E+01 mv 6 60 7 157 0 + 4 e 226 24 etot -9.0436E+01 mv 6 60 24 145 0 + 4 e 294 4 etot -8.3597E+01 mv 6 60 7 199 0 + 4 e 311 5 etot -8.3227E+01 mv 6 60 7 52 0 + 4 e 251 1 etot -8.3597E+01 mv 6 60 7 35 0 + 4 e 259 9 etot -7.8347E+01 mv 6 60 7 164 0 + 4 e 260 20 etot -8.4709E+01 mv 6 60 14 35 0 c 14 1.9 0.0 + 4 e 344 7 etot -8.6975E+01 mv 6 60 7 162 0 + 4 e 309 8 etot -7.9727E+01 mv 6 60 7 164 0 + 4 e 312 36 etot -8.4810E+01 mv 6 60 25 83 0 + 4 e 329 34 etot -8.6779E+01 mv 6 60 25 156 0 + 4 e 351 14 etot -7.6252E+01 mv 6 60 14 43 0 + 4 e 296 23 etot -9.0760E+01 mv 6 60 24 164 0 + 4 e 188 40 etot -7.2997E+01 mv 6 60 25 177 0 + 4 e 275 38 etot -8.7279E+01 mv 6 60 25 91 0 c 25 4.6 0.0 + 4 e 152 41 etot -7.1926E+01 mv 6 60 37 124 0 + 4 e 383 28 etot -7.1263E+01 mv 6 60 24 126 0 + 4 e 382 35 etot -8.4357E+01 mv 6 60 25 116 0 + 4 e 398 15 etot -8.3734E+01 mv 6 60 14 80 0 + 4 e 378 12 etot -8.3524E+01 mv 6 60 14 109 0 + 4 e 401 17 etot -8.5223E+01 mv 6 60 14 75 0 c 14 196.5 0.5 + 4 e 282 39 etot -8.6208E+01 mv 6 60 25 83 0 + 4 e 406 21 etot -8.1204E+01 mv 6 60 24 112 0 + -1 e 1 64 etot 1.3528E+20 mv 6 60 47 85 0 + -1 e 1 65 etot 1.3528E+20 mv 6 60 47 189 0 + 4 e 430 32 etot -7.6225E+01 mv 6 60 25 189 0 + 4 e 248 44 etot -8.5724E+01 mv 6 60 37 28 0 c 37 32.1 0.2 + 4 e 602 6 etot -8.2319E+01 mv 6 60 7 113 0 + 4 e 459 11 etot -8.2798E+01 mv 6 60 14 6 0 + 4 e 467 18 etot -8.2412E+01 mv 6 60 14 21 0 + 4 e 456 3 etot -8.5636E+01 mv 6 60 7 157 0 + 4 e 489 19 etot -8.4365E+01 mv 6 60 14 187 0 + 4 e 506 16 etot -8.0928E+01 mv 6 60 14 145 0 + 4 e 298 43 etot -7.5758E+01 mv 6 60 37 24 0 + 4 e 443 45 etot -7.9683E+01 mv 6 60 37 120 0 + 4 e 408 49 etot -8.3801E+01 mv 6 60 37 101 0 + 4 e 180 61 etot -8.1647E+01 mv 6 60 47 91 0 + 4 e 591 29 etot -8.1488E+01 mv 6 60 24 140 0 + 4 e 290 50 etot -8.5570E+01 mv 6 60 37 115 0 + 4 e 280 54 etot -8.4859E+01 mv 6 60 43 2 0 c 43 3.0 0.0 + 4 e 347 47 etot -7.4542E+01 mv 6 60 37 168 0 + 4 e 201 62 etot -8.0588E+01 mv 6 60 47 137 0 + 4 e 308 53 etot -8.2982E+01 mv 6 60 43 194 0 + 4 e 232 66 etot -6.5731E+01 mv 6 60 47 157 0 + 4 e 315 51 etot -8.3934E+01 mv 6 60 43 184 0 + 4 e 321 56 etot -7.4555E+01 mv 6 60 43 7 0 + -1 e 1 87 etot 1.3528E+20 mv 6 60 110 148 0 + 4 e 324 52 etot -7.5773E+01 mv 6 60 43 169 0 + -1 e 1 88 etot 1.3528E+20 mv 6 60 110 184 0 + -1 e 1 90 etot 1.3528E+20 mv 6 60 110 129 0 + 4 e 280 59 etot -7.6034E+01 mv 6 60 43 148 0 + 4 e 393 48 etot -7.9932E+01 mv 6 60 37 112 0 + 4 e 53 83 etot -8.6014E+01 mv 6 60 110 61 0 c 61 0.2 0.0 + -1 e 1 93 etot 1.3528E+20 mv 6 60 111 191 0 + 4 e 317 70 etot -8.6520E+01 mv 6 60 47 89 0 + 4 e 470 42 etot -8.3930E+01 mv 6 60 37 25 0 + 4 e 390 60 etot -7.2115E+01 mv 6 60 43 130 0 + 4 e 437 68 etot -8.1219E+01 mv 6 60 47 82 0 + 4 e 319 74 etot -8.5533E+01 mv 6 60 74 187 0 + 4 e 196 85 etot -7.1413E+01 mv 6 60 110 115 0 + 4 e 459 69 etot -7.4929E+01 mv 6 60 47 138 0 + 4 e 224 81 etot -8.1827E+01 mv 6 60 110 33 0 + 4 e 314 76 etot -7.9586E+01 mv 6 60 74 88 0 + 4 e 258 78 etot -8.3723E+01 mv 6 60 74 97 0 c 74 1.6 0.0 + -1 e 1 105 etot 1.3528E+20 mv 6 60 113 121 0 + -1 e 1 106 etot 1.3528E+20 mv 6 60 113 110 0 + 4 e 194 91 etot -8.4508E+01 mv 6 60 111 109 0 c 111 39.5 1.0 + 4 e 314 77 etot -8.3262E+01 mv 6 60 74 81 0 + 4 e 656 46 etot -7.7018E+01 mv 6 60 37 31 0 + 4 e 402 57 etot -8.3933E+01 mv 6 60 43 64 0 + 4 e 348 73 etot -8.1749E+01 mv 6 60 74 55 0 + 4 e 312 80 etot -8.2502E+01 mv 6 60 74 61 0 + 4 e 325 84 etot -7.2448E+01 mv 6 60 110 126 0 + 4 e 429 75 etot -8.1225E+01 mv 6 60 74 198 0 + 4 e 120 104 etot -7.3513E+01 mv 6 60 113 17 0 + 4 e 426 63 etot -7.7672E+01 mv 6 60 47 37 0 + 4 e 549 72 etot -9.1281E+01 mv 6 60 74 185 0 c 117 69.3 0.2 + 4 e 153 102 etot -8.3243E+01 mv 6 60 113 3 0 + 4 e 416 79 etot -8.4608E+01 mv 6 60 74 3 0 + 4 e 480 67 etot -8.6000E+01 mv 6 60 47 155 0 + 4 e 209 101 etot -7.5141E+01 mv 6 60 113 29 0 + 4 e 311 96 etot -8.4152E+01 mv 6 60 111 154 0 + 4 e 512 71 etot -8.2500E+01 mv 6 60 74 130 0 + 4 e 247 86 etot -8.4430E+01 mv 6 60 110 185 0 c 110 3.3 0.0 + 4 e 320 97 etot -8.4507E+01 mv 6 60 111 12 0 + 4 e 320 95 etot -8.2524E+01 mv 6 60 111 48 0 + 4 e 555 55 etot -7.9179E+01 mv 6 60 43 66 0 + 4 e 527 58 etot -8.0634E+01 mv 6 60 43 154 0 + 4 e 195 108 etot -8.2742E+01 mv 6 60 113 168 0 c 66 57.9 0.0 + -1 e 1 129 etot 1.3528E+20 mv 6 60 161 45 0 + 4 e 194 110 etot -8.4521E+01 mv 6 60 113 18 0 + 4 e 232 107 etot -8.5225E+01 mv 6 60 113 151 0 + 4 e 484 82 etot -8.4430E+01 mv 6 60 110 74 0 + 4 e 152 115 etot -8.4029E+01 mv 6 60 118 184 0 + 4 e 346 89 etot -7.8523E+01 mv 6 60 110 137 0 + 4 e 308 109 etot -7.9943E+01 mv 6 60 113 139 0 + 4 e 377 99 etot -8.5551E+01 mv 6 60 111 169 0 c 111 89.8 1.0 + 4 e 184 111 etot -8.8687E+01 mv 6 60 118 161 0 c 161 1.5 0.0 + 4 e 359 92 etot 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6 60 161 129 0 + 4 e 215 125 etot -8.8687E+01 mv 6 60 161 51 0 + 4 e 240 137 etot -8.3770E+01 mv 6 60 193 49 0 + 4 e 562 103 etot -8.0557E+01 mv 6 60 113 69 0 + -1 e 1 162 etot 1.0733E+22 mv 6 60 84 98 0 + 4 e 219 131 etot -8.4950E+01 mv 6 60 193 102 0 f 103 369.8 2.4 + 4 e 265 138 etot -8.5547E+01 mv 6 60 193 73 0 + 4 e 356 133 etot -8.7279E+01 mv 6 60 193 6 0 + 4 e 488 118 etot -7.9456E+01 mv 6 60 118 174 0 + 4 e 315 117 etot -8.4657E+01 mv 6 60 118 153 0 + 4 e 601 112 etot -7.6033E+01 mv 6 60 118 177 0 + 4 e 235 145 etot -7.9589E+01 mv 6 60 34 155 0 + 4 e 280 152 etot -8.4502E+01 mv 6 60 3 179 0 + 4 e 278 156 etot -8.2301E+01 mv 6 60 3 155 0 + 4 e 381 143 etot -8.0365E+01 mv 6 60 34 4 0 + 4 e 197 164 etot -8.7211E+01 mv 6 60 84 3 0 c 79 212.9 0.1 + 4 e 315 153 etot -8.2885E+01 mv 6 60 3 22 0 + -1 e 1 176 etot 1.3528E+20 mv 6 60 1 161 0 + 4 e 306 155 etot -8.8514E+01 mv 6 60 3 26 0 + 4 e 198 167 etot -7.5496E+01 mv 6 60 84 77 0 + 4 e 423 144 etot -8.8491E+01 mv 6 60 34 193 0 + -1 e 1 180 etot 1.3528E+20 mv 6 60 1 47 0 + 4 e 374 154 etot -9.2232E+01 mv 6 60 3 86 0 + 4 e 346 140 etot -9.1735E+01 mv 6 60 193 1 0 + 4 e 217 170 etot -8.7017E+01 mv 6 60 84 58 0 + 4 e 329 139 etot -8.6998E+01 mv 6 60 193 35 0 + -1 e 1 185 etot 1.3528E+20 mv 6 60 124 96 0 + 4 e 524 141 etot -7.5169E+01 mv 6 60 34 114 0 + 4 e 290 166 etot -7.4957E+01 mv 6 60 84 91 0 + 4 e 2 188 etot -8.7603E+01 mv 6 60 124 183 0 + -1 e 1 189 etot 1.3528E+20 mv 6 60 124 184 0 + 4 e 192 165 etot -8.2211E+01 mv 6 60 84 65 0 + 4 e 183 172 etot -7.1826E+01 mv 6 60 1 115 0 + 4 e 306 168 etot -7.9263E+01 mv 6 60 84 157 0 + 4 e 511 146 etot -8.7623E+01 mv 6 60 34 191 0 + 4 e 475 151 etot -8.5133E+01 mv 6 60 3 170 0 + 4 e 406 159 etot -9.0499E+01 mv 6 60 3 196 0 + 4 e 287 160 etot -9.0745E+01 mv 6 60 3 7 0 + 4 e 523 148 etot -8.0640E+01 mv 6 60 34 185 0 + 4 e 628 142 etot -8.7622E+01 mv 6 60 34 77 0 + 4 e 429 163 etot -8.6617E+01 mv 6 60 84 77 0 + 4 e 253 174 etot -7.2784E+01 mv 6 60 1 100 0 + 4 e 562 150 etot -8.7624E+01 mv 6 60 34 50 0 + 4 e 614 147 etot -8.5758E+01 mv 6 60 34 57 0 + 4 e 595 149 etot -9.1337E+01 mv 6 60 34 181 0 c 117 8.7 0.1 + 4 e 191 184 etot -8.8097E+01 mv 6 60 124 15 0 + 4 e 321 161 etot -8.0132E+01 mv 6 60 84 10 0 + 4 e 463 171 etot -8.2244E+01 mv 6 60 1 59 0 + 4 e 519 136 etot -8.7624E+01 mv 6 60 193 34 0 + 4 e 315 175 etot -7.5379E+01 mv 6 60 1 8 0 + 4 e 383 157 etot -9.2230E+01 mv 6 60 3 38 0 + 4 e 355 178 etot -8.2616E+01 mv 6 60 1 78 0 + -1 e 1 211 etot 1.3528E+20 mv 2 60 24 -22 0 + 4 e 333 169 etot -8.4800E+01 mv 6 60 84 100 0 + 4 e 408 177 etot -7.5283E+01 mv 6 60 1 48 0 + 4 e 242 194 etot -8.7772E+01 mv 6 60 36 31 0 + 4 e 242 196 etot -8.7772E+01 mv 6 60 36 54 0 + 4 e 436 173 etot -7.9465E+01 mv 6 60 1 85 0 + -1 e 1 217 etot 1.3528E+20 mv 2 60 25 -18 0 + -1 e 1 218 etot 1.3528E+20 mv 2 60 25 -9 0 + -1 e 1 219 etot 1.3528E+20 mv 2 60 25 -97 0 + 4 e 173 204 etot -6.9720E+01 mv 2 60 7 -37 0 + 4 e 325 190 etot -8.2715E+01 mv 6 60 124 60 0 f 108 361.6 0.1 + 4 e 184 205 etot -8.3615E+01 mv 2 60 7 -181 0 c 7 1.7 0.0 + 4 e 259 200 etot -7.1531E+01 mv 6 60 36 177 0 + 4 e 274 199 etot -7.8005E+01 mv 6 60 36 168 0 + 4 e 264 201 etot -7.4077E+01 mv 2 60 7 -96 0 + 4 e 479 181 etot -8.4803E+01 mv 6 60 124 65 0 c 65 102.2 0.0 + 4 e 362 195 etot -8.0849E+01 mv 6 60 36 100 0 + 4 e 293 186 etot -8.7884E+01 mv 6 60 124 148 0 + 4 e 173 216 etot -7.6590E+01 mv 2 60 25 -21 0 + 4 e 449 193 etot -8.6806E+01 mv 6 60 36 97 0 + 4 e 589 179 etot -8.5432E+01 mv 6 60 1 80 0 + -1 e 1 232 etot 1.3528E+20 mv 2 60 47 -23 0 + 4 e 411 198 etot -7.8172E+01 mv 6 60 36 173 0 + 4 e 531 187 etot -8.0875E+01 mv 6 60 124 63 0 + 4 e 389 202 etot -7.5319E+01 mv 2 60 7 -132 0 + -1 e 1 236 etot 1.3528E+20 mv 2 60 74 -179 0 + 4 e 490 192 etot -7.6991E+01 mv 6 60 36 179 0 + 4 e 239 214 etot -8.8205E+01 mv 2 60 24 -43 0 + -1 e 1 239 etot 1.3528E+20 mv 2 60 74 -118 0 + 4 e 573 182 etot -8.3528E+01 mv 6 60 124 86 0 + 4 e 398 183 etot -8.4997E+01 mv 6 60 124 128 0 + 4 e 335 191 etot -7.6831E+01 mv 6 60 36 165 0 + 4 e 292 215 etot -7.3970E+01 mv 2 60 24 -153 0 + 4 e 370 212 etot -5.7706E+01 mv 2 60 24 -148 0 + 4 e 334 221 etot -8.5688E+01 mv 2 60 37 -144 0 + 4 e 309 206 etot -7.9278E+01 mv 2 60 14 -76 0 + 4 e 367 220 etot -7.0766E+01 mv 2 60 25 -109 0 + 4 e 278 227 etot -6.8240E+01 mv 2 60 43 -36 0 + 4 e 306 228 etot -7.5613E+01 mv 2 60 43 -2 0 + 4 e 214 237 etot -5.8451E+01 mv 2 60 74 -153 0 + 4 e 557 207 etot -8.0526E+01 mv 2 60 14 -60 0 + 4 e 261 230 etot -7.8203E+01 mv 2 60 43 -149 0 + -1 e 1 253 etot 1.3528E+20 mv 2 60 113 -99 0 + 4 e 405 223 etot -6.7762E+01 mv 2 60 37 -168 0 + 4 e 453 197 etot -8.0618E+01 mv 6 60 36 142 0 + 4 e 377 226 etot -8.3897E+01 mv 2 60 43 -4 0 + -1 e 1 257 etot 1.3528E+20 mv 2 60 118 -156 0 + 4 e 606 209 etot -7.3506E+01 mv 2 60 14 -103 0 + 4 e 636 203 etot -8.3028E+01 mv 2 60 7 -56 0 + 4 e 320 231 etot -7.7071E+01 mv 2 60 47 -184 0 + 4 e 290 235 etot -8.6520E+01 mv 2 60 47 -42 0 c 47 2.4 0.0 + 4 e 441 225 etot -8.3802E+01 mv 2 60 37 -66 0 + 4 e 432 210 etot -7.5357E+01 mv 2 60 14 -90 0 + 4 e 293 241 etot -7.8998E+01 mv 2 60 110 -33 0 + 4 e 335 234 etot -8.6947E+01 mv 2 60 47 -166 0 c 47 169.5 0.4 + 4 e 515 224 etot -7.1389E+01 mv 2 60 37 -121 0 + -1 e 1 267 etot 1.3528E+20 mv 2 60 193 -167 0 + -1 e 1 268 etot 1.3528E+20 mv 2 60 193 -100 0 + 4 e 572 222 etot -7.3777E+01 mv 2 60 37 -20 0 + 4 e 138 260 etot -7.1740E+01 mv 2 60 118 -51 0 + 4 e 430 233 etot -7.1169E+01 mv 2 60 47 -179 0 + 4 e 456 213 etot -7.3243E+01 mv 2 60 24 -184 0 + 4 e 463 240 etot -7.4031E+01 mv 2 60 74 -127 0 + 4 e 244 251 etot -8.4083E+01 mv 2 60 113 -108 0 + 4 e 401 244 etot -8.1567E+01 mv 2 60 110 -92 0 + 4 e 392 245 etot -6.7034E+01 mv 2 60 110 -161 0 + 4 e 195 261 etot -8.8687E+01 mv 2 60 161 -97 0 + 4 e 569 208 etot -7.8294E+01 mv 2 60 14 -30 0 + 4 e 278 255 etot -7.6429E+01 mv 2 60 113 -154 0 + 4 e 211 265 etot -8.7232E+01 mv 2 60 161 -89 0 + 4 e 278 247 etot -7.4091E+01 mv 2 60 111 -178 0 + 4 e 367 242 etot -8.4153E+01 mv 2 60 110 -74 0 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etot -6.6159E+01 mv 1 60 14 -18 0 + 4 e 258 294 etot -8.8097E+01 mv 2 60 124 -144 0 + -1 e 1 326 etot 1.3528E+20 mv 1 60 43 -98 0 + 4 e 260 297 etot -6.8840E+01 mv 2 60 36 -154 0 + 4 e 190 306 etot -8.4756E+01 mv 1 60 14 -106 0 + 4 e 263 298 etot -8.7772E+01 mv 2 60 36 -144 0 + 4 e 392 290 etot -8.5454E+01 mv 2 60 1 108 0 + 4 e 222 304 etot -8.2145E+01 mv 1 60 7 -9 0 + 4 e 367 273 etot -7.4286E+01 mv 2 60 34 189 0 + 4 e 374 291 etot -7.3933E+01 mv 2 60 124 -133 0 + 4 e 573 275 etot -8.7621E+01 mv 2 60 34 27 0 + 4 e 207 305 etot -8.3616E+01 mv 1 60 7 -136 0 + 4 e 233 314 etot -9.0760E+01 mv 1 60 24 -182 0 + 4 e 299 292 etot -8.8096E+01 mv 2 60 124 -19 0 + 4 e 670 271 etot -8.5946E+01 mv 2 60 34 18 0 + -1 e 1 338 etot 1.3528E+20 mv 1 60 74 -179 0 + 4 e 277 315 etot -9.0704E+01 mv 1 60 24 -92 0 + 4 e 453 299 etot -7.7708E+01 mv 2 60 36 198 0 + 4 e 505 293 etot -7.2342E+01 mv 2 60 124 1 0 + 4 e 436 300 etot -8.4405E+01 mv 2 60 36 -115 0 + 4 e 311 317 etot -7.6590E+01 mv 1 60 25 -39 0 + 4 e 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-8.8115E+01 mv 1 60 1 158 0 + 4 e 476 364 etot -8.3603E+01 mv 1 60 161 -17 0 + 4 e 151 395 etot -8.8097E+01 mv 1 60 124 121 0 + 4 e 535 362 etot -7.7700E+01 mv 1 60 161 -194 0 + 4 e 204 379 etot -9.0745E+01 mv 1 60 3 1 0 + 4 e 224 391 etot -8.8025E+01 mv 1 60 124 -35 0 + 4 e 347 377 etot -8.2185E+01 mv 1 60 3 -160 0 + 4 e 367 376 etot -9.0743E+01 mv 1 60 3 101 0 + 4 e 115 398 etot -8.7772E+01 mv 1 60 36 150 0 + 4 e 129 401 etot -8.3616E+01 mv 0 60 7 0 0 + 4 e 104 403 etot -9.0761E+01 mv 0 60 24 0 0 c 24 1.1 0.0 + 4 e 129 402 etot -8.4709E+01 mv 0 60 14 0 0 + 4 e 262 392 etot -8.5300E+01 mv 1 60 124 -16 0 + 4 e 98 405 etot -8.5571E+01 mv 0 60 37 0 0 + 4 e 454 357 etot -7.2737E+01 mv 1 60 118 -16 0 + 4 e 2 418 etot -8.8115E+01 mv 0 60 1 0 0 +## N0 total= 20 close= 6 far= 0 %acc 30.0 +## N1 total= 100 close= 5 far= 2 %acc 7.0 +## N2 total= 100 close= 4 far= 0 %acc 4.0 +## N3 total= 0 close= 0 far= 0 %acc 0.0 +## N4 total= 0 close= 0 far= 0 %acc 0.0 +## N5 total= 0 close= 0 far= 0 %acc 0.0 +## N6 total= 200 close= 20 far= 2 %acc 11.0 +## N7 total= 0 close= 0 far= 0 %acc 0.0 +## N8 total= 0 close= 0 far= 0 %acc 0.0 +## N9 total= 0 close= 0 far= 0 %acc 0.0 +##N10 total= 0 close= 0 far= 0 %acc 0.0 +##N11 total= 0 close= 0 far= 0 %acc 0.0 +##N12 total= 0 close= 0 far= 0 %acc 0.0 +##N13 total= 0 close= 0 far= 0 %acc 0.0 +##N14 total= 0 close= 0 far= 0 %acc 0.0 +##N15 total= 0 close= 0 far= 0 %acc 0.0 +##N16 total= 0 close= 0 far= 0 %acc 0.0 +##N17 total= 0 close= 0 far= 0 %acc 0.0 +##N18 total= 0 close= 0 far= 0 %acc 0.0 + Time for refresh 61 0.57 + make_var : nseed= 20 ntry= 420 + Time for make trial 62 0.20 +Nonsetup time 121.57 sec, Eval/s = 65203.32 +Time for iter 62 2.24 sec, Eval/s = 55457.00 + UPDATING 420 + 4 e 136 406 etot -8.4859E+01 mv 0 60 43 0 0 c 43 1.2 0.0 + 4 e 277 393 etot -8.7292E+01 mv 1 60 124 -195 0 + 4 e 112 404 etot -8.7280E+01 mv 0 60 25 0 0 c 25 2.6 0.0 + 4 e 89 411 etot -8.5092E+01 mv 0 60 113 0 0 c 113 1.0 0.0 + 4 e 642 371 etot -8.0362E+01 mv 1 60 34 -102 0 + 4 e 385 410 etot -8.4507E+01 mv 0 60 111 0 0 + 4 e 109 412 etot -8.5288E+01 mv 0 60 118 0 0 c 118 1.2 0.0 + 4 e 395 390 etot -7.7232E+01 mv 1 60 1 -111 0 + 4 e 149 407 etot -8.6521E+01 mv 0 60 47 0 0 + 4 e 446 400 etot -7.7944E+01 mv 1 60 36 -183 0 + 4 e 577 375 etot -8.7622E+01 mv 1 60 34 180 0 + 4 e 612 368 etot -7.9986E+01 mv 1 60 193 -29 0 + 4 e 10 416 etot -9.0746E+01 mv 0 60 3 0 0 c 3 0.0 0.0 + 4 e 563 374 etot -8.2809E+01 mv 1 60 34 -57 0 + 4 e 26 417 etot -8.9606E+01 mv 0 60 84 0 0 + 4 e 348 380 etot -8.7036E+01 mv 1 60 3 4 0 + 4 e 723 397 etot -8.0665E+01 mv 1 60 36 -88 0 + 4 e 561 415 etot -8.7624E+01 mv 0 60 34 0 0 + 4 e 438 389 etot -7.7231E+01 mv 1 60 1 65 0 + 4 e 2 420 etot -8.7772E+01 mv 0 60 36 0 0 + -1 e 1 15 etot 1.3528E+20 mv 6 61 14 80 0 + 4 e 145 408 etot -8.3723E+01 mv 0 60 74 0 0 c 74 1.4 0.0 + 4 e 148 414 etot -8.7018E+01 mv 0 60 193 0 0 c 193 0.7 0.0 + 4 e 351 387 etot -7.5765E+01 mv 1 60 1 -77 0 + 4 e 428 373 etot -8.7758E+01 mv 1 60 34 -47 0 + 4 e 472 384 etot -8.0132E+01 mv 1 60 84 63 0 + 4 e 90 409 etot -8.4431E+01 mv 0 60 110 0 0 + 4 e 11 419 etot -8.8097E+01 mv 0 60 124 0 0 c 124 0.0 0.0 + 4 e 203 394 etot -7.3845E+01 mv 1 60 124 -136 0 + 4 e 198 396 etot -8.7102E+01 mv 1 60 36 105 0 + -1 e 1 22 etot 1.3528E+20 mv 6 61 37 82 0 + 4 e 218 386 etot -8.8115E+01 mv 1 60 1 110 0 + 4 e 141 413 etot -8.8687E+01 mv 0 60 161 0 0 c 161 0.2 0.0 + -1 e 1 29 etot 1.3528E+20 mv 6 61 37 94 0 + -1 e 1 32 etot 1.3528E+20 mv 6 61 47 28 0 + 4 e 165 12 etot -8.5225E+01 mv 6 61 14 18 0 c 14 1.8 0.0 + 4 e 183 9 etot -6.6840E+01 mv 6 61 7 194 0 + 4 e 194 35 etot -8.6948E+01 mv 6 61 47 178 0 c 47 2.3 0.0 + 4 e 200 33 etot -7.7394E+01 mv 6 61 47 180 0 + 4 e 204 17 etot -7.8176E+01 mv 6 61 14 45 0 + 4 e 212 14 etot -8.3080E+01 mv 6 61 14 149 0 + 4 e 256 21 etot -8.5475E+01 mv 6 61 37 141 0 + 4 e 244 3 etot -7.1539E+01 mv 6 61 7 185 0 + 4 e 307 6 etot -8.4530E+01 mv 6 61 7 199 0 c 7 180.2 0.2 + -1 e 1 44 etot 1.3528E+20 mv 6 61 65 99 0 + 4 e 331 5 etot 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26 0 + 4 e 474 2 etot -8.2715E+01 mv 6 61 7 101 0 + 4 e 259 40 etot -7.9389E+01 mv 6 61 47 91 0 + 4 e 178 51 etot -8.2742E+01 mv 6 61 66 29 0 + -1 e 1 70 etot 1.3528E+20 mv 6 61 79 45 0 + 4 e 243 27 etot -7.4969E+01 mv 6 61 37 59 0 + 4 e 470 8 etot -8.6478E+01 mv 6 61 7 3 0 + 4 e 310 37 etot -8.0311E+01 mv 6 61 47 39 0 + 4 e 254 25 etot -8.5475E+01 mv 6 61 37 169 0 + -1 e 1 75 etot 1.3528E+20 mv 6 61 103 46 0 + 4 e 193 52 etot -7.4485E+01 mv 6 61 66 44 0 + 4 e 328 43 etot -8.4358E+01 mv 6 61 65 67 0 + -1 e 1 78 etot 1.3528E+20 mv 6 61 103 189 0 + 4 e 373 41 etot -8.3494E+01 mv 6 61 65 147 0 + 4 e 280 26 etot -8.6181E+01 mv 6 61 37 199 0 c 37 72.7 0.5 + 4 e 560 19 etot -8.4754E+01 mv 6 61 14 69 0 + 4 e 231 54 etot -7.6192E+01 mv 6 61 66 53 0 + 4 e 393 39 etot -7.8771E+01 mv 6 61 47 61 0 + 4 e 252 58 etot -7.4076E+01 mv 6 61 66 198 0 + 4 e 294 28 etot -7.9673E+01 mv 6 61 37 161 0 + 4 e 255 53 etot -8.1615E+01 mv 6 61 66 122 0 + 4 e 312 56 etot -8.3213E+01 mv 6 61 66 53 0 + 4 e 386 47 etot -8.4805E+01 mv 6 61 65 133 0 c 65 75.7 0.0 + 4 e 398 42 etot -7.6772E+01 mv 6 61 65 200 0 + 4 e 268 62 etot -8.5701E+01 mv 6 61 79 128 0 + 4 e 106 83 etot -8.4212E+01 mv 6 61 108 169 0 c 169 0.6 0.0 + 4 e 284 60 etot -7.9909E+01 mv 6 61 66 161 0 + 4 e 178 69 etot -7.5480E+01 mv 6 61 79 165 0 + 4 e 535 46 etot -8.2870E+01 mv 6 61 65 2 0 + 4 e 276 64 etot -7.1882E+01 mv 6 61 79 70 0 + 4 e 27 92 etot -8.3702E+01 mv 6 61 110 165 0 + 4 e 473 38 etot -7.5566E+01 mv 6 61 47 147 0 + 4 e 72 91 etot -8.4737E+01 mv 6 61 110 141 0 c 141 0.2 0.0 + 4 e 302 67 etot -8.7210E+01 mv 6 61 79 89 0 + 4 e 361 63 etot -8.5920E+01 mv 6 61 79 38 0 + 4 e 403 68 etot -8.4005E+01 mv 6 61 79 147 0 + 4 e 277 80 etot -8.6178E+01 mv 6 61 103 8 0 c 103 159.0 1.2 + 4 e 220 87 etot -8.2538E+01 mv 6 61 108 6 0 + -1 e 1 104 etot 1.3528E+20 mv 6 61 111 125 0 + 4 e 287 71 etot -7.6648E+01 mv 6 61 103 98 0 + 4 e 361 73 etot -9.2233E+01 mv 6 61 103 104 0 + 4 e 512 61 etot -8.3185E+01 mv 6 61 79 95 0 + 4 e 293 77 etot 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-8.0091E+01 mv 6 61 103 69 0 + 4 e 291 101 etot -8.5552E+01 mv 6 61 111 72 0 c 111 4.0 0.0 + 4 e 238 112 etot -8.6901E+01 mv 6 61 117 153 0 c 153 212.5 1.7 + 4 e 192 118 etot -8.5091E+01 mv 6 61 117 83 0 + 4 e 471 97 etot -8.4321E+01 mv 6 61 110 82 0 + 4 e 332 105 etot -8.5551E+01 mv 6 61 111 190 0 + 4 e 287 113 etot -8.7150E+01 mv 6 61 117 168 0 + 4 e 164 116 etot -8.3673E+01 mv 6 61 117 68 0 + 4 e 377 102 etot -7.4444E+01 mv 6 61 111 88 0 + 4 e 464 99 etot -8.6721E+01 mv 6 61 110 48 0 + 4 e 341 108 etot -7.9133E+01 mv 6 61 111 92 0 + 4 e 129 131 etot -6.9868E+01 mv 6 61 185 106 0 + 8 e 57 134 etot -6.3998E+01 mv 6 61 185 135 0 + 4 e 347 115 etot -7.7270E+01 mv 6 61 117 81 0 + 4 e 387 98 etot -8.0983E+01 mv 6 61 110 25 0 + 4 e 270 122 etot -8.2787E+01 mv 6 61 177 153 0 c 177 7.9 0.0 + 4 e 52 142 etot -8.3779E+01 mv 6 61 189 125 0 c 125 0.3 0.0 + 4 e 358 119 etot -8.8225E+01 mv 6 61 117 21 0 + 4 e 340 121 etot -7.2166E+01 mv 6 61 177 76 0 + 4 e 644 95 etot -8.3620E+01 mv 6 61 110 184 0 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-8.0559E+01 mv 1 61 66 -95 0 + 4 e 305 366 etot -8.3977E+01 mv 1 61 185 -106 0 + 4 e 298 353 etot -7.2048E+01 mv 1 61 111 -188 0 + 4 e 363 360 etot -8.3285E+01 mv 1 61 117 -124 0 + 4 e 473 349 etot -6.9696E+01 mv 1 61 110 -64 0 + 4 e 248 374 etot -8.2903E+01 mv 1 61 189 192 0 + 4 e 188 373 etot -8.2903E+01 mv 1 61 189 -138 0 + 4 e 165 384 etot -7.2928E+01 mv 1 61 161 172 0 + 4 e 365 368 etot -8.3976E+01 mv 1 61 185 -7 0 + 4 e 583 347 etot -7.3812E+01 mv 1 61 110 -180 0 + 4 e 545 333 etot -7.0995E+01 mv 1 61 79 -23 0 + 4 e 225 381 etot -8.8687E+01 mv 1 61 161 13 0 + 4 e 246 380 etot -8.9200E+01 mv 1 61 8 -154 0 + 4 e 444 365 etot -8.2786E+01 mv 1 61 177 -1 0 + 4 e 299 367 etot -8.1610E+01 mv 1 61 185 -138 0 + 4 e 210 386 etot -8.8680E+01 mv 1 61 196 65 0 + 4 e 190 390 etot -6.3222E+01 mv 1 61 196 -69 0 + 4 e 201 389 etot -7.5691E+01 mv 1 61 196 -174 0 + 4 e 215 378 etot -8.3970E+01 mv 1 61 8 59 0 + 4 e 321 377 etot -8.7560E+01 mv 1 61 8 -99 0 + 4 e 328 379 etot -8.9200E+01 mv 1 61 8 -21 0 + 4 e 284 383 etot -8.8687E+01 mv 1 61 161 65 0 + 4 e 573 357 etot -9.0504E+01 mv 1 61 117 -43 0 + 4 e 2 416 etot -8.9201E+01 mv 0 61 8 0 0 + 4 e 83 406 etot -8.2742E+01 mv 0 61 66 0 0 c 66 0.7 0.0 + 4 e 12 418 etot -8.8680E+01 mv 0 61 196 0 0 c 196 0.0 0.0 + 4 e 2 419 etot -8.8115E+01 mv 0 61 1 0 0 +## N0 total= 19 close= 11 far= 0 %acc 57.9 +## N1 total= 101 close= 4 far= 0 %acc 4.0 +## N2 total= 100 close= 3 far= 0 %acc 3.0 +## N3 total= 0 close= 0 far= 0 %acc 0.0 +## N4 total= 0 close= 0 far= 0 %acc 0.0 +## N5 total= 0 close= 0 far= 0 %acc 0.0 +## N6 total= 200 close= 19 far= 1 %acc 10.0 +## N7 total= 0 close= 0 far= 0 %acc 0.0 +## N8 total= 0 close= 0 far= 0 %acc 0.0 +## N9 total= 0 close= 0 far= 0 %acc 0.0 +##N10 total= 0 close= 0 far= 0 %acc 0.0 +##N11 total= 0 close= 0 far= 0 %acc 0.0 +##N12 total= 0 close= 0 far= 0 %acc 0.0 +##N13 total= 0 close= 0 far= 0 %acc 0.0 +##N14 total= 0 close= 0 far= 0 %acc 0.0 +##N15 total= 0 close= 0 far= 0 %acc 0.0 +##N16 total= 0 close= 0 far= 0 %acc 0.0 +##N17 total= 0 close= 0 far= 0 %acc 0.0 +##N18 total= 0 close= 0 far= 0 %acc 0.0 + Time for refresh 62 0.30 + make_var : nseed= 20 ntry= 420 + Time for make trial 63 0.09 +Nonsetup time 123.39 sec, Eval/s = 65223.04 +Time for iter 63 1.82 sec, Eval/s = 66542.93 + UPDATING 420 + 4 e 56 415 etot -8.2903E+01 mv 0 61 189 0 0 c 189 0.6 0.0 + 4 e 70 420 etot -8.8026E+01 mv 0 61 88 0 0 + 4 e 642 369 etot -8.3400E+01 mv 1 61 185 -96 0 + 4 e 149 409 etot -8.2716E+01 mv 0 61 108 0 0 c 108 0.7 0.0 + 4 e 123 411 etot -8.5552E+01 mv 0 61 111 0 0 c 111 1.4 0.0 + 4 e 560 391 etot -8.2434E+01 mv 1 61 1 -58 0 + 4 e 145 413 etot -8.2787E+01 mv 0 61 177 0 0 c 177 3.4 0.0 + 4 e 392 397 etot -8.8025E+01 mv 1 61 88 -66 0 + 4 e 217 414 etot -8.4814E+01 mv 0 61 185 0 0 c 185 4.3 0.0 + 4 e 170 405 etot -8.4807E+01 mv 0 61 65 0 0 + 4 e 105 407 etot -8.7212E+01 mv 0 61 79 0 0 c 79 0.7 0.0 + 4 e 146 402 etot -8.5225E+01 mv 0 61 14 0 0 c 14 0.6 0.0 + 4 e 483 387 etot -7.8876E+01 mv 1 61 196 -153 0 + 4 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490 354 etot -7.8580E+01 mv 1 62 153 -194 0 + 4 e 169 377 etot -8.7421E+01 mv 1 62 36 31 0 + 4 e 287 374 etot -8.7850E+01 mv 1 62 1 -163 0 + 4 e 396 366 etot -8.9200E+01 mv 1 62 8 -68 0 + 4 e 495 358 etot -7.5881E+01 mv 1 62 165 -46 0 + 4 e 202 378 etot -8.6386E+01 mv 1 62 36 151 0 + 4 e 110 402 etot -8.4910E+01 mv 0 62 29 0 0 + 4 e 222 389 etot -7.3463E+01 mv 1 62 174 -158 0 + 4 e 112 401 etot -8.4532E+01 mv 0 62 7 0 0 + 4 e 15 413 etot -8.4777E+01 mv 0 62 123 0 0 c 123 0.0 0.0 + 4 e 2 414 etot -8.9201E+01 mv 0 62 8 0 0 + 4 e 2 415 etot -8.8115E+01 mv 0 62 1 0 0 + 4 e 121 403 etot -8.6181E+01 mv 0 62 37 0 0 + 4 e 2 416 etot -8.7772E+01 mv 0 62 36 0 0 + 4 e 10 417 etot -8.8680E+01 mv 0 62 196 0 0 c 196 0.0 0.0 + 4 e 119 404 etot -8.4942E+01 mv 0 62 65 0 0 c 65 0.9 0.0 +## N0 total= 25 close= 13 far= 0 %acc 52.0 +## N1 total= 95 close= 5 far= 0 %acc 5.3 +## N2 total= 100 close= 1 far= 0 %acc 1.0 +## N3 total= 0 close= 0 far= 0 %acc 0.0 +## N4 total= 0 close= 0 far= 0 %acc 0.0 +## N5 total= 0 close= 0 far= 0 %acc 0.0 +## N6 total= 200 close= 15 far= 0 %acc 7.5 +## N7 total= 0 close= 0 far= 0 %acc 0.0 +## N8 total= 0 close= 0 far= 0 %acc 0.0 +## N9 total= 0 close= 0 far= 0 %acc 0.0 +##N10 total= 0 close= 0 far= 0 %acc 0.0 +##N11 total= 0 close= 0 far= 0 %acc 0.0 +##N12 total= 0 close= 0 far= 0 %acc 0.0 +##N13 total= 0 close= 0 far= 0 %acc 0.0 +##N14 total= 0 close= 0 far= 0 %acc 0.0 +##N15 total= 0 close= 0 far= 0 %acc 0.0 +##N16 total= 0 close= 0 far= 0 %acc 0.0 +##N17 total= 0 close= 0 far= 0 %acc 0.0 +##N18 total= 0 close= 0 far= 0 %acc 0.0 + Time for refresh 63 0.89 + make_var : nseed= 20 ntry= 420 + Time for make trial 64 0.04 +Nonsetup time 125.71 sec, Eval/s = 64960.08 +Time for iter 64 2.33 sec, Eval/s = 51023.46 + UPDATING 420 + 4 e 142 409 etot -8.5336E+01 mv 0 62 145 0 0 c 145 2.4 0.0 + 4 e 287 396 etot -8.5549E+01 mv 1 62 183 -11 0 + 4 e 317 399 etot -7.6715E+01 mv 1 62 183 174 0 + 4 e 50 419 etot -8.7723E+01 mv 0 62 167 0 0 c 167 0.1 0.0 + 4 e 467 398 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125 0 + 4 e 544 116 etot -8.1244E+01 mv 6 63 1 192 0 + -1 e 1 170 etot 1.3528E+20 mv 6 63 84 179 0 + 4 e 507 120 etot -7.8358E+01 mv 6 63 1 140 0 + 4 e 326 143 etot -8.7705E+01 mv 6 63 196 30 0 + 4 e 258 142 etot -6.8065E+01 mv 6 63 196 73 0 + 4 e 459 132 etot -8.6231E+01 mv 6 63 36 101 0 c 30 23.1 0.1 + -1 e 1 176 etot 1.3528E+20 mv 6 63 174 77 0 + -1 e 1 177 etot 1.3528E+20 mv 6 63 174 114 0 + 4 e 239 153 etot -8.4859E+01 mv 6 63 183 43 0 + 4 e 240 154 etot -6.8277E+01 mv 6 63 183 198 0 + 4 e 465 134 etot -8.6193E+01 mv 6 63 36 192 0 + -1 e 1 181 etot 1.3528E+20 mv 6 63 180 160 0 + 4 e 247 146 etot -8.7942E+01 mv 6 63 196 48 0 + 4 e 176 162 etot -8.9605E+01 mv 6 63 84 116 0 + 4 e 192 161 etot -8.9605E+01 mv 6 63 84 74 0 + 4 e 604 121 etot -8.8049E+01 mv 6 63 88 166 0 + -1 e 1 185 etot 1.3528E+20 mv 6 63 180 153 0 + 4 e 348 152 etot -8.7603E+01 mv 6 63 183 106 0 + 4 e 143 169 etot -8.4725E+01 mv 6 63 84 191 0 + 4 e 405 147 etot -8.1855E+01 mv 6 63 196 12 0 + 4 e 316 158 etot 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24 0 + 4 e 455 163 etot -8.1927E+01 mv 6 63 84 138 0 + -1 e 1 212 etot 1.3528E+20 mv 2 63 29 -35 0 + 4 e 345 160 etot -8.7602E+01 mv 6 63 183 70 0 + 4 e 284 168 etot -8.7017E+01 mv 6 63 84 58 0 + 4 e 259 190 etot -7.4286E+01 mv 6 63 180 164 0 + 4 e 323 188 etot -8.4267E+01 mv 6 63 180 185 0 + 4 e 297 193 etot -8.2876E+01 mv 6 63 122 192 0 + 4 e 220 201 etot -8.3296E+01 mv 2 63 7 -144 0 + 4 e 320 192 etot -7.9815E+01 mv 6 63 122 43 0 + 4 e 539 166 etot -8.2771E+01 mv 6 63 84 108 0 + -1 e 1 221 etot 1.3528E+20 mv 2 63 37 -98 0 + 4 e 563 128 etot -8.1197E+01 mv 6 63 88 101 0 + 4 e 269 200 etot -7.0491E+01 mv 6 63 122 46 0 + 4 e 398 167 etot -8.2659E+01 mv 6 63 84 169 0 + 4 e 234 202 etot -6.8801E+01 mv 2 63 7 -169 0 + 4 e 214 205 etot -6.5832E+01 mv 2 63 7 -76 0 + 4 e 561 171 etot -8.2558E+01 mv 6 63 174 200 0 + -1 e 1 228 etot 1.3528E+20 mv 2 63 103 -153 0 + 4 e 198 211 etot -6.8092E+01 mv 2 63 29 -45 0 + 4 e 245 208 etot -6.7511E+01 mv 2 63 22 -87 0 + 4 e 262 204 etot -8.4931E+01 mv 2 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etot 1.3528E+20 mv 2 63 8 -12 0 + -1 e 1 253 etot 1.3528E+20 mv 2 63 8 31 0 + 4 e 538 175 etot -8.0192E+01 mv 6 63 174 105 0 + 4 e 229 232 etot -8.6406E+01 mv 2 63 103 146 0 + 4 e 244 233 etot -8.4450E+01 mv 2 63 103 -93 0 + 4 e 157 246 etot -8.9400E+01 mv 2 63 168 105 0 + 4 e 319 226 etot -7.5402E+01 mv 2 63 103 -108 0 + 4 e 426 217 etot -6.4850E+01 mv 2 63 31 -183 0 + 4 e 203 241 etot -8.7339E+01 mv 2 63 161 -75 0 + 4 e 159 248 etot -8.9400E+01 mv 2 63 168 153 0 + 4 e 433 222 etot -7.5236E+01 mv 2 63 37 -106 0 + 4 e 549 213 etot -6.9082E+01 mv 2 63 29 -175 0 + 4 e 283 245 etot -7.2551E+01 mv 2 63 161 -146 0 + 4 e 333 236 etot -8.8070E+01 mv 2 63 3 -11 0 + 4 e 433 229 etot -7.7736E+01 mv 2 63 103 -2 0 + -1 e 1 267 etot 1.3528E+20 mv 2 63 36 -32 0 + 4 e 163 256 etot -8.8115E+01 mv 2 63 1 81 0 + 4 e 322 244 etot -7.2504E+01 mv 2 63 161 -62 0 + 4 e 805 157 etot -9.1340E+01 mv 6 63 183 170 0 + 4 e 383 240 etot -7.9324E+01 mv 2 63 3 63 0 + -1 e 1 272 etot 3.6424E+21 mv 2 63 196 72 0 + 4 e 412 235 etot -8.6178E+01 mv 2 63 103 -171 0 + 4 e 505 203 etot -7.6954E+01 mv 2 63 7 -113 0 + 4 e 306 249 etot -7.4055E+01 mv 2 63 168 -28 0 + -1 e 1 276 etot 7.0768E+20 mv 2 63 183 190 0 + 4 e 386 247 etot -7.9186E+01 mv 2 63 168 56 0 + 4 e 427 243 etot -8.3501E+01 mv 2 63 161 -48 0 + 4 e 484 239 etot -9.0743E+01 mv 2 63 3 48 0 + 4 e 305 257 etot -7.1945E+01 mv 2 63 1 -109 0 + 4 e 281 258 etot -7.6199E+01 mv 2 63 1 -18 0 + 4 e 576 231 etot -7.7802E+01 mv 2 63 103 -161 0 + 4 e 223 255 etot -8.9200E+01 mv 2 63 8 121 0 + 4 e 182 270 etot -8.6335E+01 mv 2 63 36 -127 0 + 4 e 270 262 etot -7.1262E+01 mv 2 63 88 107 0 + 4 e 208 268 etot -7.5129E+01 mv 2 63 36 -53 0 + 4 e 334 259 etot -8.8113E+01 mv 2 63 1 39 0 + 4 e 314 261 etot -8.8050E+01 mv 2 63 88 -129 0 + 4 e 401 238 etot -7.9082E+01 mv 2 63 3 191 0 + 4 e 564 214 etot -8.0037E+01 mv 2 63 29 -110 0 + 4 e 241 266 etot -8.7771E+01 mv 2 63 36 111 0 + 4 e 301 263 etot -8.8050E+01 mv 2 63 88 136 0 + 4 e 361 260 etot -8.5950E+01 mv 2 63 1 -118 0 + 4 e 420 254 etot -8.9199E+01 mv 2 63 8 9 0 + 4 e 457 251 etot -7.3680E+01 mv 2 63 8 -55 0 + 4 e 515 225 etot -7.5017E+01 mv 2 63 37 -68 0 + 4 e 245 273 etot -8.8680E+01 mv 2 63 196 152 0 + 4 e 520 223 etot -6.3760E+01 mv 2 63 37 -155 0 + 4 e 494 250 etot -8.9007E+01 mv 2 63 168 184 0 + 4 e 207 277 etot -6.3638E+01 mv 2 63 183 -151 0 + 4 e 174 283 etot -8.9605E+01 mv 2 63 84 -112 0 + 4 e 191 286 etot -8.6068E+01 mv 2 63 174 -57 0 + 4 e 284 278 etot -8.6615E+01 mv 2 63 183 -141 0 + -1 e 1 304 etot 2.6262E+22 mv 1 63 7 -198 0 + 4 e 189 289 etot -6.6333E+01 mv 2 63 174 183 0 + 4 e 353 274 etot -7.9942E+01 mv 2 63 196 56 0 + 4 e 267 282 etot -7.1037E+01 mv 2 63 84 19 0 + 4 e 501 242 etot -8.8685E+01 mv 2 63 161 11 0 + 4 e 158 290 etot -8.6068E+01 mv 2 63 174 -157 0 + 4 e 476 265 etot -8.1525E+01 mv 2 63 88 -197 0 + 4 e 226 293 etot -8.7279E+01 mv 2 63 180 172 0 + 4 e 308 281 etot -8.8829E+01 mv 2 63 84 -153 0 + 4 e 355 279 etot -5.9683E+01 mv 2 63 183 -199 0 + 4 e 475 269 etot -8.0986E+01 mv 2 63 36 71 0 + 4 e 209 300 etot -8.8051E+01 mv 2 63 122 -16 0 + 4 e 296 275 etot -8.7942E+01 mv 2 63 196 -19 0 + 4 e 227 301 etot -7.5068E+01 mv 1 63 7 -172 0 + 4 e 245 284 etot -8.9605E+01 mv 2 63 84 82 0 + 4 e 136 307 etot -7.0409E+01 mv 1 63 22 -16 0 + 4 e 348 285 etot -8.0297E+01 mv 2 63 84 164 0 + 4 e 167 305 etot -7.8459E+01 mv 1 63 7 -177 0 + 4 e 337 292 etot -8.7278E+01 mv 2 63 180 51 0 + -1 e 1 323 etot 1.3528E+20 mv 1 63 37 -24 0 + 4 e 638 264 etot -7.6547E+01 mv 2 63 88 -102 0 + 4 e 299 296 etot -8.8050E+01 mv 2 63 122 104 0 + 4 e 390 288 etot -7.9382E+01 mv 2 63 174 -198 0 + 4 e 397 271 etot -7.4066E+01 mv 2 63 196 -134 0 + 4 e 270 291 etot -8.7308E+01 mv 2 63 180 109 0 c 180 100.1 0.0 + 4 e 243 297 etot -8.8050E+01 mv 2 63 122 -49 0 + -1 e 1 330 etot 1.3528E+20 mv 1 63 103 -2 0 + 4 e 387 295 etot -7.1492E+01 mv 2 63 180 -19 0 + 4 e 203 311 etot -8.4607E+01 mv 1 63 29 -164 0 + 4 e 227 315 etot -7.4983E+01 mv 1 63 29 -175 0 + 4 e 186 310 etot -8.5015E+01 mv 1 63 22 -175 0 + 4 e 547 287 etot -7.7850E+01 mv 2 63 174 -59 0 + 4 e 310 299 etot -8.6765E+01 mv 2 63 122 167 0 + 4 e 518 294 etot -8.0992E+01 mv 2 63 180 -47 0 + 4 e 178 327 etot -6.8389E+01 mv 1 63 103 -123 0 + 4 e 306 313 etot -7.2290E+01 mv 1 63 29 -128 0 + 4 e 465 302 etot -7.5744E+01 mv 1 63 7 -40 0 + 4 e 270 316 etot -8.3384E+01 mv 1 63 31 -141 0 c 31 2.6 0.0 + 4 e 313 314 etot -7.9265E+01 mv 1 63 29 -32 0 + 4 e 210 326 etot -8.4984E+01 mv 1 63 103 -37 0 + 4 e 398 306 etot -8.6440E+01 mv 1 63 22 -86 0 + 4 e 276 320 etot -8.3384E+01 mv 1 63 31 -34 0 + 4 e 280 324 etot -8.3265E+01 mv 1 63 37 -185 0 + 4 e 304 321 etot -8.6697E+01 mv 1 63 37 -2 0 + 4 e 591 298 etot -8.9526E+01 mv 2 63 122 83 0 + 4 e 249 332 etot -7.9690E+01 mv 1 63 103 -49 0 + 4 e 192 331 etot -8.6158E+01 mv 1 63 103 169 0 + 4 e 475 312 etot -5.1287E+01 mv 1 63 29 -188 0 + 4 e 306 319 etot -6.5685E+01 mv 1 63 31 -145 0 + 4 e 242 336 etot -7.8566E+01 mv 1 63 3 -48 0 + 4 e 252 334 etot -8.4984E+01 mv 1 63 103 -38 0 + 4 e 311 333 etot -8.6126E+01 mv 1 63 103 15 0 + 4 e 329 317 etot -7.7101E+01 mv 1 63 31 -23 0 + 4 e 573 308 etot -8.5173E+01 mv 1 63 22 -82 0 + 4 e 197 345 etot -8.8687E+01 mv 1 63 161 126 0 + 4 e 227 340 etot -9.0745E+01 mv 1 63 3 -82 0 + 4 e 879 280 etot -9.1341E+01 mv 2 63 183 55 0 + 4 e 531 318 etot -8.1404E+01 mv 1 63 31 -66 0 + 4 e 255 342 etot -8.8687E+01 mv 1 63 161 -123 0 + 4 e 280 343 etot -8.3502E+01 mv 1 63 161 -20 0 + 4 e 707 303 etot -7.7850E+01 mv 1 63 7 -184 0 + 4 e 465 309 etot -7.7045E+01 mv 1 63 22 -105 0 + 4 e 266 335 etot -8.6354E+01 mv 1 63 103 106 0 + 4 e 251 348 etot -8.9400E+01 mv 1 63 168 -136 0 + 4 e 572 322 etot -8.1611E+01 mv 1 63 37 -75 0 + 4 e 562 325 etot -8.5388E+01 mv 1 63 37 -12 0 + 4 e 229 350 etot -8.9400E+01 mv 1 63 168 119 0 + 4 e 337 344 etot -8.8686E+01 mv 1 63 161 -199 0 + 4 e 375 328 etot -8.4857E+01 mv 1 63 103 -134 0 + 4 e 375 339 etot -9.0744E+01 mv 1 63 3 129 0 + 4 e 180 355 etot -8.9201E+01 mv 1 63 8 -31 0 + 4 e 419 338 etot -7.1917E+01 mv 1 63 3 119 0 + 4 e 224 356 etot -7.5890E+01 mv 1 63 1 -73 0 + 4 e 372 346 etot -8.2796E+01 mv 1 63 168 -198 0 + 4 e 328 349 etot -8.9027E+01 mv 1 63 168 198 0 + 4 e 249 358 etot -8.6676E+01 mv 1 63 1 -10 0 + 4 e 304 352 etot -8.9200E+01 mv 1 63 8 -3 0 + 4 e 232 351 etot -8.9200E+01 mv 1 63 8 150 0 + -1 e 1 382 etot 2.8923E+22 mv 1 63 84 -114 0 + 4 e 312 354 etot -8.1349E+01 mv 1 63 8 141 0 + 4 e 241 353 etot -8.7631E+01 mv 1 63 8 114 0 + 4 e 383 337 etot -7.6937E+01 mv 1 63 3 -144 0 + 4 e 162 374 etot -6.9026E+01 mv 1 63 196 -113 0 + 4 e 189 370 etot -8.8215E+01 mv 1 63 36 -138 0 c 36 47.0 0.4 + -1 e 1 388 etot 1.3528E+20 mv 1 63 174 186 0 + 4 e 479 347 etot -8.3172E+01 mv 1 63 168 -83 0 + 4 e 228 368 etot -8.7771E+01 mv 1 63 36 195 0 + 4 e 509 329 etot -8.2894E+01 mv 1 63 103 -105 0 + 4 e 559 341 etot -8.6703E+01 mv 1 63 161 -167 0 + 4 e 320 362 etot -8.8050E+01 mv 1 63 88 -57 0 + 4 e 311 363 etot -8.7875E+01 mv 1 63 88 -163 0 + 4 e 363 360 etot -8.8114E+01 mv 1 63 1 2 0 + 4 e 176 366 etot -8.7772E+01 mv 1 63 36 173 0 + 4 e 162 378 etot -8.7603E+01 mv 1 63 183 146 0 + -1 e 1 398 etot 1.3528E+20 mv 1 63 122 26 0 + 4 e 267 369 etot -7.6413E+01 mv 1 63 36 -27 0 + -1 e 1 400 etot 9.9503E+30 mv 1 63 122 -151 0 + 4 e 278 357 etot -8.7850E+01 mv 1 63 1 76 0 + 4 e 250 375 etot -8.8680E+01 mv 1 63 196 -41 0 + 4 e 408 361 etot -8.8049E+01 mv 1 63 88 -198 0 + 4 e 334 365 etot -8.1515E+01 mv 1 63 88 -186 0 + 4 e 441 359 etot -8.5820E+01 mv 1 63 1 -19 0 + 4 e 99 385 etot -8.9605E+01 mv 1 63 84 -127 0 + 4 e 233 380 etot -8.7603E+01 mv 1 63 183 88 0 + 4 e 225 381 etot -8.8134E+01 mv 1 63 84 -140 0 + 4 e 89 401 etot -8.4932E+01 mv 0 63 7 0 0 c 7 1.8 0.0 + 4 e 268 377 etot -8.7603E+01 mv 1 63 183 99 0 + 4 e 2 411 etot -8.9201E+01 mv 0 63 8 0 0 + 4 e 2 412 etot -8.8115E+01 mv 0 63 1 0 0 + 4 e 15 409 etot -8.8687E+01 mv 0 63 161 0 0 c 161 0.0 0.0 + 4 e 2 414 etot -8.7772E+01 mv 0 63 36 0 0 + 4 e 10 415 etot -8.8680E+01 mv 0 63 196 0 0 c 196 0.0 0.0 + 4 e 2 416 etot -8.7603E+01 mv 0 63 183 0 0 + 4 e 38 408 etot -9.0746E+01 mv 0 63 3 0 0 c 3 0.1 0.0 + 4 e 80 406 etot -8.6407E+01 mv 0 63 103 0 0 c 103 0.9 0.0 + 4 e 90 404 etot -8.3385E+01 mv 0 63 31 0 0 c 31 1.2 0.0 +## N0 total= 21 close= 15 far= 0 %acc 71.4 +## N1 total= 99 close= 2 far= 0 %acc 2.0 +## N2 total= 100 close= 2 far= 0 %acc 2.0 +## N3 total= 0 close= 0 far= 0 %acc 0.0 +## N4 total= 0 close= 0 far= 0 %acc 0.0 +## N5 total= 0 close= 0 far= 0 %acc 0.0 +## N6 total= 200 close= 12 far= 2 %acc 7.0 +## N7 total= 0 close= 0 far= 0 %acc 0.0 +## N8 total= 0 close= 0 far= 0 %acc 0.0 +## N9 total= 0 close= 0 far= 0 %acc 0.0 +##N10 total= 0 close= 0 far= 0 %acc 0.0 +##N11 total= 0 close= 0 far= 0 %acc 0.0 +##N12 total= 0 close= 0 far= 0 %acc 0.0 +##N13 total= 0 close= 0 far= 0 %acc 0.0 +##N14 total= 0 close= 0 far= 0 %acc 0.0 +##N15 total= 0 close= 0 far= 0 %acc 0.0 +##N16 total= 0 close= 0 far= 0 %acc 0.0 +##N17 total= 0 close= 0 far= 0 %acc 0.0 +##N18 total= 0 close= 0 far= 0 %acc 0.0 + Time for refresh 64 0.26 + make_var : nseed= 20 ntry= 420 + Time for make trial 65 0.09 +Nonsetup time 127.46 sec, Eval/s = 65010.29 +Time for iter 65 1.75 sec, Eval/s = 68625.18 + UPDATING 420 + 4 e 175 390 etot -8.7383E+01 mv 1 63 174 -43 0 + 4 e 255 399 etot -8.8050E+01 mv 1 63 122 -171 0 + 4 e 17 417 etot -8.9606E+01 mv 0 63 84 0 0 c 84 0.0 0.0 + 4 e 184 393 etot -7.5040E+01 mv 1 63 180 -109 0 + 4 e 260 384 etot -8.9605E+01 mv 1 63 84 7 0 + 4 e 128 403 etot -8.5262E+01 mv 0 63 29 0 0 c 29 0.3 0.0 + 4 e 499 376 etot -7.5363E+01 mv 1 63 183 -139 0 + 4 e 219 395 etot -8.7279E+01 mv 1 63 180 -82 0 + 4 e 29 418 etot -8.7384E+01 mv 0 63 174 0 0 + 4 e 403 379 etot -8.7602E+01 mv 1 63 183 190 0 + -1 e 1 3 etot 1.3528E+20 mv 6 64 9 17 0 + 4 e 213 394 etot -8.7279E+01 mv 1 63 180 -116 0 + 4 e 63 410 etot -8.9400E+01 mv 0 63 168 0 0 c 168 0.3 0.0 + 4 e 88 405 etot -8.6698E+01 mv 0 63 37 0 0 + 4 e 612 396 etot -8.4206E+01 mv 1 63 122 89 0 + 4 e 61 413 etot -8.8050E+01 mv 0 63 88 0 0 c 88 2.3 0.0 + 4 e 329 391 etot -8.7278E+01 mv 1 63 180 -154 0 + 4 e 577 371 etot -8.1934E+01 mv 1 63 196 26 0 + 4 e 10 419 etot -8.7279E+01 mv 0 63 180 0 0 + 4 e 17 420 etot -8.8051E+01 mv 0 63 122 0 0 c 122 0.0 0.0 + 4 e 212 389 etot -7.3463E+01 mv 1 63 174 -47 0 + 4 e 583 387 etot -8.7382E+01 mv 1 63 174 -140 0 + 4 e 499 372 etot -8.2814E+01 mv 1 63 196 141 0 + -1 e 1 16 etot 1.3528E+20 mv 6 64 30 149 0 + 4 e 622 364 etot -7.9403E+01 mv 1 63 88 -114 0 + 4 e 235 386 etot -8.6360E+01 mv 1 63 174 -118 0 + 4 e 342 397 etot -6.6544E+01 mv 1 63 122 49 0 + -1 e 1 19 etot 1.3528E+20 mv 6 64 30 47 0 + 4 e 137 402 etot -8.6442E+01 mv 0 63 22 0 0 c 22 3.0 0.0 + 4 e 196 383 etot -9.0085E+01 mv 1 63 84 37 0 c 84 41.0 0.5 + 4 e 257 373 etot -8.8310E+01 mv 1 63 196 182 0 + 4 e 427 392 etot -8.6463E+01 mv 1 63 180 -84 0 + -1 e 1 27 etot 1.3528E+20 mv 6 64 36 166 0 + 4 e 339 367 etot -8.1096E+01 mv 1 63 36 185 0 + 4 e 80 407 etot -8.6407E+01 mv 0 63 103 0 0 + 4 e 35 18 etot -8.6119E+01 mv 6 64 30 128 0 c 128 0.1 0.0 + 4 e 196 14 etot -8.6231E+01 mv 6 64 30 168 0 c 30 2.1 0.0 + 4 e 198 23 etot -7.5202E+01 mv 6 64 36 108 0 + 4 e 179 11 etot -8.4644E+01 mv 6 64 30 57 0 + 4 e 206 25 etot -8.7772E+01 mv 6 64 36 80 0 + 4 e 260 13 etot -8.5353E+01 mv 6 64 30 21 0 + 4 e 209 5 etot -8.3729E+01 mv 6 64 9 81 0 c 9 2.7 0.0 + 4 e 210 21 etot -8.4502E+01 mv 6 64 36 110 0 + 4 e 231 4 etot -6.2095E+01 mv 6 64 9 27 0 + 4 e 225 24 etot -7.8685E+01 mv 6 64 36 179 0 + -1 e 1 45 etot 1.3528E+20 mv 6 64 77 26 0 + 4 e 232 2 etot -8.4328E+01 mv 6 64 9 2 0 + -1 e 1 47 etot 1.3528E+20 mv 6 64 77 115 0 + 4 e 255 28 etot -7.8005E+01 mv 6 64 36 25 0 + 4 e 281 7 etot -8.4065E+01 mv 6 64 9 126 0 + 4 e 286 8 etot -7.5754E+01 mv 6 64 9 60 0 + 4 e 270 15 etot -8.4645E+01 mv 6 64 30 194 0 + 4 e 280 31 etot -8.8289E+01 mv 6 64 66 173 0 + 4 e 249 30 etot -8.5493E+01 mv 6 64 36 168 0 + 4 e 152 38 etot -6.9450E+01 mv 6 64 66 92 0 + 4 e 312 9 etot -8.3728E+01 mv 6 64 9 83 0 + 4 e 320 12 etot -7.9121E+01 mv 6 64 30 94 0 + 4 e 319 1 etot -7.9941E+01 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36 0.5 0.0 + 4 e 185 383 etot -8.9588E+01 mv 1 64 84 183 0 + 4 e 215 387 etot -8.7603E+01 mv 1 64 183 -31 0 + 4 e 276 384 etot -8.9604E+01 mv 1 64 84 73 0 + 4 e 10 410 etot -9.0746E+01 mv 0 64 3 0 0 c 3 0.0 0.0 + 4 e 387 377 etot -8.5034E+01 mv 1 64 139 -67 0 + 4 e 259 386 etot -7.6673E+01 mv 1 64 183 -132 0 + 4 e 10 412 etot -8.8687E+01 mv 0 64 161 0 0 c 161 0.0 0.0 + 4 e 2 413 etot -8.8115E+01 mv 0 64 1 0 0 + 4 e 131 401 etot -8.3729E+01 mv 0 64 9 0 0 c 9 0.8 0.0 + 4 e 112 402 etot -8.6232E+01 mv 0 64 30 0 0 c 30 0.9 0.0 + 4 e 2 414 etot -8.8680E+01 mv 0 64 196 0 0 + 4 e 2 416 etot -8.8359E+01 mv 0 64 139 0 0 + 4 e 2 418 etot -8.7603E+01 mv 0 64 183 0 0 +## N0 total= 19 close= 11 far= 0 %acc 57.9 +## N1 total= 101 close= 4 far= 0 %acc 4.0 +## N2 total= 100 close= 3 far= 0 %acc 3.0 +## N3 total= 0 close= 0 far= 0 %acc 0.0 +## N4 total= 0 close= 0 far= 0 %acc 0.0 +## N5 total= 0 close= 0 far= 0 %acc 0.0 +## N6 total= 200 close= 18 far= 0 %acc 9.0 +## N7 total= 0 close= 0 far= 0 %acc 0.0 +## N8 total= 0 close= 0 far= 0 %acc 0.0 +## N9 total= 0 close= 0 far= 0 %acc 0.0 +##N10 total= 0 close= 0 far= 0 %acc 0.0 +##N11 total= 0 close= 0 far= 0 %acc 0.0 +##N12 total= 0 close= 0 far= 0 %acc 0.0 +##N13 total= 0 close= 0 far= 0 %acc 0.0 +##N14 total= 0 close= 0 far= 0 %acc 0.0 +##N15 total= 0 close= 0 far= 0 %acc 0.0 +##N16 total= 0 close= 0 far= 0 %acc 0.0 +##N17 total= 0 close= 0 far= 0 %acc 0.0 +##N18 total= 0 close= 0 far= 0 %acc 0.0 + Time for refresh 65 0.29 + make_var : nseed= 20 ntry= 420 + Time for make trial 66 0.14 +Nonsetup time 129.25 sec, Eval/s = 65002.35 +Time for iter 66 1.79 sec, Eval/s = 64437.10 + UPDATING 420 + 4 e 131 405 etot -8.3974E+01 mv 0 64 77 0 0 c 77 1.5 0.0 + 4 e 59 407 etot -8.5361E+01 mv 0 64 145 0 0 c 145 0.4 0.0 + 4 e 17 420 etot -8.8051E+01 mv 0 64 122 0 0 c 167 1.0 0.0 + 4 e 334 395 etot -8.7591E+01 mv 1 64 200 -11 0 + 4 e 454 375 etot -7.8405E+01 mv 1 64 24 35 0 + 4 e 550 391 etot -8.3645E+01 mv 1 64 200 87 0 + 4 e 394 379 etot -7.7682E+01 mv 1 64 139 141 0 + 4 e 54 409 etot -8.3315E+01 mv 0 64 16 0 0 + 4 e 513 374 etot -9.0759E+01 mv 1 64 24 121 0 + 4 e 392 392 etot -8.7590E+01 mv 1 64 200 75 0 + -1 e 1 2 etot 1.3528E+20 mv 6 65 16 188 0 + 4 e 17 417 etot -8.9606E+01 mv 0 64 84 0 0 + 4 e 63 411 etot -8.9400E+01 mv 0 64 168 0 0 + 4 e 294 385 etot -8.9605E+01 mv 1 64 84 188 0 + 4 e 458 372 etot -9.0759E+01 mv 1 64 24 -141 0 + 4 e 259 398 etot -8.8050E+01 mv 1 64 122 110 0 + 4 e 324 390 etot -8.7602E+01 mv 1 64 183 -29 0 + 4 e 175 404 etot -8.4467E+01 mv 0 64 66 0 0 c 66 1.6 0.0 + -1 e 1 6 etot 1.3528E+20 mv 6 65 16 48 0 + -1 e 1 10 etot 1.3528E+20 mv 6 65 16 142 0 + 4 e 278 389 etot -7.4764E+01 mv 1 64 183 -26 0 + -1 e 1 5 etot 1.3528E+20 mv 6 65 16 157 0 + 4 e 67 419 etot -8.7592E+01 mv 0 64 200 0 0 c 200 0.2 0.0 + 4 e 50 415 etot -9.0761E+01 mv 0 64 24 0 0 c 24 0.2 0.0 + 4 e 394 381 etot -8.9604E+01 mv 1 64 84 161 0 + 4 e 443 394 etot -8.4084E+01 mv 1 64 200 -183 0 + 4 e 448 399 etot -8.4136E+01 mv 1 64 122 -166 0 + -1 e 1 21 etot 1.3528E+20 mv 6 65 84 61 0 + 4 e 88 406 etot -8.2834E+01 mv 0 64 108 0 0 c 108 1.0 0.0 + 4 e 232 396 etot -8.5476E+01 mv 1 64 122 5 0 + 4 e 252 380 etot -7.2340E+01 mv 1 64 139 -37 0 + 4 e 225 400 etot -8.8050E+01 mv 1 64 122 -72 0 + 4 e 60 408 etot -8.7309E+01 mv 0 64 180 0 0 c 180 0.6 0.0 + 4 e 266 393 etot -8.7592E+01 mv 1 64 200 68 0 + 4 e 340 373 etot -9.0761E+01 mv 1 64 24 111 0 + -1 e 1 29 etot 1.3528E+20 mv 6 65 84 180 0 + 4 e 250 397 etot -8.8050E+01 mv 1 64 122 93 0 + -1 e 1 34 etot 1.3528E+20 mv 6 65 99 108 0 + 4 e 55 38 etot -8.2945E+01 mv 6 65 99 91 0 c 91 0.2 0.0 + 4 e 176 18 etot -6.8687E+01 mv 6 65 48 194 0 + 4 e 203 24 etot -9.0900E+01 mv 6 65 84 135 0 c 84 4.0 0.0 + 4 e 214 30 etot -9.0900E+01 mv 6 65 84 47 0 c 84 1.4 0.0 + 4 e 208 37 etot -8.6210E+01 mv 6 65 99 32 0 + -1 e 1 43 etot 1.3528E+20 mv 6 65 122 127 0 + 4 e 223 28 etot -8.3463E+01 mv 6 65 84 30 0 + -1 e 1 45 etot 1.3528E+20 mv 6 65 122 12 0 + 4 e 231 22 etot -9.0083E+01 mv 6 65 84 139 0 + 4 e 247 13 etot -8.2208E+01 mv 6 65 48 22 0 + 4 e 278 19 etot -8.4830E+01 mv 6 65 48 99 0 + 4 e 286 36 etot -8.5708E+01 mv 6 65 99 120 0 + 4 e 325 4 etot -8.2173E+01 mv 6 65 16 6 0 + 4 e 284 12 etot -7.7153E+01 mv 6 65 48 142 0 + 4 e 279 14 etot -8.9293E+01 mv 6 65 48 193 0 + -1 e 1 53 etot 1.3528E+20 mv 6 65 167 8 0 + 4 e 264 39 etot -8.7407E+01 mv 6 65 99 92 0 + 4 e 327 1 etot -8.4523E+01 mv 6 65 16 176 0 c 16 215.8 1.0 + 4 e 344 32 etot -8.1470E+01 mv 6 65 99 20 0 + 4 e 11 56 etot -8.8154E+01 mv 6 65 167 40 0 c 40 0.0 0.0 + 4 e 344 11 etot -8.0893E+01 mv 6 65 48 180 0 + 4 e 357 8 etot -7.2074E+01 mv 6 65 16 96 0 + 4 e 324 27 etot -9.0900E+01 mv 6 65 84 39 0 + 4 e 378 33 etot -8.3170E+01 mv 6 65 99 14 0 + 4 e 194 47 etot -8.6446E+01 mv 6 65 122 13 0 + 4 e 377 3 etot -7.8884E+01 mv 6 65 16 173 0 + 4 e 370 26 etot -8.9188E+01 mv 6 65 84 100 0 + 4 e 381 16 etot -8.7623E+01 mv 6 65 48 74 0 + 4 e 386 23 etot -8.8580E+01 mv 6 65 84 15 0 + 4 e 394 20 etot -8.6258E+01 mv 6 65 48 24 0 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etot -8.3012E+01 mv 6 65 167 37 0 + -1 e 1 89 etot 3.6677E+28 mv 6 65 24 25 0 + 4 e 562 35 etot -8.5601E+01 mv 6 65 99 10 0 + 4 e 375 51 etot -8.2987E+01 mv 6 65 167 82 0 + 4 e 270 63 etot -8.4222E+01 mv 6 65 179 183 0 + 4 e 283 59 etot -8.8147E+01 mv 6 65 167 115 0 c 167 1.9 0.0 + 4 e 251 69 etot -8.4694E+01 mv 6 65 179 11 0 c 179 2.2 0.0 + 4 e 214 76 etot -7.2238E+01 mv 6 65 199 182 0 + 4 e 65 94 etot -8.2811E+01 mv 6 65 36 64 0 c 64 0.2 0.0 + 4 e 213 67 etot -8.5923E+01 mv 6 65 179 85 0 + 4 e 303 55 etot -8.0416E+01 mv 6 65 167 110 0 + 4 e 259 62 etot -7.6138E+01 mv 6 65 179 117 0 + 4 e 268 77 etot -8.3345E+01 mv 6 65 199 89 0 + 4 e 270 68 etot -7.0085E+01 mv 6 65 179 1 0 + 4 e 197 83 etot -8.8173E+01 mv 6 65 24 46 0 + -1 e 1 103 etot 1.3528E+20 mv 6 65 139 120 0 + 4 e 406 46 etot -8.9187E+01 mv 6 65 122 68 0 + 4 e 281 70 etot -8.0750E+01 mv 6 65 179 172 0 + 4 e 534 41 etot -8.0012E+01 mv 6 65 122 14 0 + 4 e 372 65 etot -8.2987E+01 mv 6 65 179 159 0 + 4 e 351 57 etot -8.0689E+01 mv 6 65 167 42 0 + 4 e 411 61 etot -7.6428E+01 mv 6 65 179 95 0 + 4 e 208 93 etot -8.7411E+01 mv 6 65 36 152 0 + 4 e 724 17 etot -7.8297E+01 mv 6 65 48 131 0 + 4 e 235 79 etot -8.7308E+01 mv 6 65 199 180 0 + -1 e 1 113 etot 3.4645E+24 mv 6 65 1 192 0 + 4 e 290 86 etot -8.5536E+01 mv 6 65 24 73 0 + 4 e 553 40 etot -8.6954E+01 mv 6 65 99 80 0 c 44 233.5 2.5 + 4 e 368 78 etot -8.3345E+01 mv 6 65 199 2 0 + -1 e 1 117 etot 1.8100E+28 mv 6 65 1 61 0 + -1 e 1 118 etot 1.3528E+20 mv 6 65 1 173 0 + 4 e 226 82 etot -9.0761E+01 mv 6 65 24 183 0 + 4 e 479 64 etot -7.8773E+01 mv 6 65 179 170 0 + 4 e 262 88 etot -8.8917E+01 mv 6 65 24 104 0 + 4 e 229 85 etot -7.8187E+01 mv 6 65 24 123 0 + 4 e 327 90 etot -6.1635E+01 mv 6 65 24 6 0 + 4 e 462 80 etot -8.2988E+01 mv 6 65 199 63 0 + 4 e 187 105 etot -7.7067E+01 mv 6 65 139 6 0 + 4 e 229 102 etot -8.7308E+01 mv 6 65 139 180 0 + 4 e 258 91 etot -6.6481E+01 mv 6 65 36 37 0 + 4 e 397 72 etot -7.3865E+01 mv 6 65 199 58 0 + 4 e 310 95 etot -8.7769E+01 mv 6 65 36 130 0 + 4 e 187 100 etot -8.6689E+01 mv 6 65 36 46 0 + 4 e 396 87 etot -8.0130E+01 mv 6 65 24 28 0 + 4 e 300 97 etot -8.4880E+01 mv 6 65 36 2 0 + 4 e 200 115 etot -8.5821E+01 mv 6 65 1 33 0 + 4 e 319 104 etot -7.6709E+01 mv 6 65 139 25 0 + 4 e 446 92 etot -8.4692E+01 mv 6 65 36 179 0 + 4 e 395 96 etot -8.3043E+01 mv 6 65 36 24 0 + -1 e 1 137 etot 1.3528E+20 mv 6 65 174 3 0 + 4 e 256 119 etot -8.2019E+01 mv 6 65 1 32 0 + 4 e 333 107 etot -7.6466E+01 mv 6 65 139 78 0 + 4 e 125 133 etot -8.5091E+01 mv 6 65 174 83 0 + 4 e 291 116 etot -8.6448E+01 mv 6 65 1 4 0 + 4 e 308 111 etot -8.7256E+01 mv 6 65 1 73 0 + 4 e 421 101 etot -8.1433E+01 mv 6 65 139 112 0 + 4 e 249 124 etot -6.4433E+01 mv 6 65 200 191 0 + 4 e 112 138 etot -6.1859E+01 mv 6 65 174 33 0 + 4 e 281 125 etot -7.7506E+01 mv 6 65 200 108 0 + 4 e 231 120 etot -8.4472E+01 mv 6 65 1 15 0 + 4 e 273 109 etot -8.7959E+01 mv 6 65 139 96 0 + 4 e 249 130 etot -8.7591E+01 mv 6 65 200 51 0 + 4 e 212 134 etot -7.5341E+01 mv 6 65 174 175 0 + 4 e 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mv 6 65 196 163 0 + -1 e 1 193 etot 1.3528E+20 mv 6 65 193 130 0 + 4 e 182 172 etot -8.4302E+01 mv 6 65 124 158 0 + 4 e 316 153 etot -8.5566E+01 mv 6 65 161 47 0 + 4 e 660 136 etot -7.9130E+01 mv 6 65 174 40 0 + 4 e 318 169 etot -8.8679E+01 mv 6 65 196 94 0 + -1 e 1 198 etot 1.3528E+20 mv 6 65 193 131 0 + 4 e 214 180 etot -7.7915E+01 mv 6 65 124 45 0 + 4 e 267 177 etot -7.9209E+01 mv 6 65 124 126 0 + 4 e 163 185 etot -8.6437E+01 mv 6 65 135 139 0 + 4 e 329 148 etot -8.7216E+01 mv 6 65 38 82 0 + 4 e 349 170 etot -8.5632E+01 mv 6 65 196 12 0 + 4 e 420 166 etot -8.1003E+01 mv 6 65 196 192 0 + 4 e 379 152 etot -8.0890E+01 mv 6 65 161 199 0 + 4 e 259 183 etot -7.7618E+01 mv 6 65 135 198 0 + -1 e 1 207 etot 1.3528E+20 mv 2 65 48 -90 0 + 4 e 190 190 etot -8.8087E+01 mv 6 65 135 41 0 + 4 e 514 162 etot -8.1874E+01 mv 6 65 196 148 0 + 4 e 351 179 etot -8.7884E+01 mv 6 65 124 157 0 + 4 e 412 173 etot -7.5170E+01 mv 6 65 124 178 0 + 4 e 152 191 etot -8.5580E+01 mv 6 65 193 198 0 + 4 e 342 184 etot -8.8085E+01 mv 6 65 135 68 0 + 4 e 313 187 etot -8.1113E+01 mv 6 65 135 38 0 + 4 e 377 181 etot -8.0927E+01 mv 6 65 135 164 0 + 4 e 254 194 etot -8.7018E+01 mv 6 65 193 131 0 + 4 e 341 186 etot -8.3044E+01 mv 6 65 135 181 0 + 4 e 193 201 etot -8.3543E+01 mv 2 65 16 -8 0 + 4 e 350 189 etot -8.3789E+01 mv 6 65 135 26 0 + 4 e 354 175 etot -8.8096E+01 mv 6 65 124 116 0 + 4 e 314 192 etot -8.1037E+01 mv 6 65 193 80 0 + -1 e 1 221 etot 1.3528E+20 mv 2 65 122 -7 0 + 4 e 462 182 etot -8.6646E+01 mv 6 65 135 80 0 + 4 e 279 199 etot -8.5692E+01 mv 6 65 193 45 0 + -1 e 1 225 etot 1.3528E+20 mv 2 65 122 -36 0 + 4 e 178 212 etot -6.3345E+01 mv 2 65 84 -131 0 + 4 e 676 167 etot -8.1176E+01 mv 6 65 196 126 0 + -1 e 1 228 etot 1.3528E+20 mv 2 65 167 -6 0 + 4 e 337 200 etot -7.0874E+01 mv 6 65 193 91 0 + 4 e 599 178 etot -8.0435E+01 mv 6 65 124 45 0 + 4 e 364 197 etot -7.3234E+01 mv 6 65 193 125 0 + 4 e 330 204 etot -7.7334E+01 mv 2 65 16 -54 0 + 4 e 257 211 etot -9.0900E+01 mv 2 65 84 -128 0 + 4 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431 219 etot -8.0035E+01 mv 2 65 99 -53 0 + 4 e 459 196 etot -7.7544E+01 mv 6 65 193 5 0 + 4 e 457 218 etot -8.0952E+01 mv 2 65 99 -5 0 + 4 e 130 246 etot -8.8215E+01 mv 2 65 36 107 0 + 4 e 322 233 etot -6.5449E+01 mv 2 65 179 -156 0 + 4 e 493 216 etot -8.5983E+01 mv 2 65 99 -136 0 + 4 e 117 248 etot -8.8216E+01 mv 2 65 36 -41 0 + 4 e 140 247 etot -6.6356E+01 mv 2 65 36 -170 0 + 4 e 160 251 etot -7.5649E+01 mv 2 65 139 96 0 + 4 e 177 243 etot -9.0761E+01 mv 2 65 24 196 0 + -1 e 1 264 etot 1.3528E+20 mv 2 65 200 -155 0 + 4 e 562 217 etot -7.3078E+01 mv 2 65 99 -49 0 + 4 e 356 235 etot -7.7593E+01 mv 2 65 179 -11 0 + 4 e 504 224 etot -8.6417E+01 mv 2 65 122 -107 0 + -1 e 1 268 etot 1.3528E+20 mv 2 65 174 -29 0 + 4 e 234 245 etot -9.0761E+01 mv 2 65 24 89 0 + 4 e 275 244 etot -7.0250E+01 mv 2 65 24 1 0 + 4 e 337 239 etot -8.1836E+01 mv 2 65 199 -108 0 + 4 e 374 238 etot -7.7272E+01 mv 2 65 199 195 0 + 4 e 569 222 etot -7.1727E+01 mv 2 65 122 -193 0 + 4 e 403 223 etot -7.7475E+01 mv 2 65 122 -40 0 + -1 e 1 275 etot 1.3528E+20 mv 2 65 38 -31 0 + 4 e 315 250 etot -7.5726E+01 mv 2 65 36 -14 0 + 4 e 243 257 etot -7.3276E+01 mv 2 65 1 30 0 + 4 e 253 255 etot -7.8294E+01 mv 2 65 139 -22 0 + 4 e 295 240 etot -8.4878E+01 mv 2 65 199 162 0 + 4 e 218 260 etot -8.8115E+01 mv 2 65 1 11 0 + 4 e 558 234 etot -7.8327E+01 mv 2 65 179 -148 0 + 4 e 177 266 etot -8.7383E+01 mv 2 65 174 136 0 + 4 e 471 242 etot -7.8768E+01 mv 2 65 24 165 0 + 4 e 353 253 etot -7.9954E+01 mv 2 65 139 -124 0 + 4 e 154 274 etot -8.7217E+01 mv 2 65 38 102 0 + 4 e 383 252 etot -7.5057E+01 mv 2 65 139 52 0 + 4 e 388 237 etot -8.2653E+01 mv 2 65 199 187 0 + 4 e 227 269 etot -8.7383E+01 mv 2 65 174 -141 0 + 4 e 220 270 etot -8.7383E+01 mv 2 65 174 -89 0 + -1 e 1 290 etot 4.9060E+20 mv 2 65 124 161 0 + 4 e 281 267 etot -7.5286E+01 mv 2 65 174 -194 0 + -1 e 1 292 etot 1.3528E+20 mv 2 65 135 -116 0 + 4 e 371 259 etot -8.1123E+01 mv 2 65 1 -69 0 + 4 e 412 254 etot -8.2798E+01 mv 2 65 139 102 0 + 4 e 256 273 etot -8.7217E+01 mv 2 65 38 127 0 + 4 e 512 249 etot -7.7601E+01 mv 2 65 36 -57 0 + 4 e 425 258 etot -8.8112E+01 mv 2 65 1 -186 0 + 4 e 209 278 etot -8.8687E+01 mv 2 65 161 -6 0 + 4 e 328 271 etot -8.7216E+01 mv 2 65 38 -56 0 + 4 e 321 272 etot -8.4088E+01 mv 2 65 38 -36 0 + 4 e 125 291 etot -8.7039E+01 mv 2 65 135 41 0 + 4 e 396 263 etot -7.8948E+01 mv 2 65 200 -35 0 + 4 e 262 281 etot -8.8680E+01 mv 2 65 196 34 0 + 4 e 489 261 etot -7.9806E+01 mv 2 65 200 -37 0 + 4 e 745 203 etot -6.1385E+01 mv 2 65 16 -106 0 + 4 e 697 213 etot -8.0191E+01 mv 2 65 84 -25 0 + -1 e 1 307 etot 1.3528E+20 mv 1 65 48 -50 0 + 4 e 522 241 etot -6.6765E+01 mv 2 65 24 -116 0 + -1 e 1 309 etot 1.3528E+20 mv 1 65 48 -74 0 + 4 e 210 293 etot -8.7039E+01 mv 2 65 135 111 0 + 4 e 367 277 etot -7.9106E+01 mv 2 65 161 20 0 + 4 e 156 300 etot -6.4784E+01 mv 2 65 193 -123 0 + 4 e 368 279 etot -7.1817E+01 mv 2 65 161 -173 0 + 4 e 251 280 etot -8.5965E+01 mv 2 65 161 -144 0 + 4 e 278 287 etot -8.5300E+01 mv 2 65 124 171 0 + 4 e 369 283 etot -8.8679E+01 mv 2 65 196 -27 0 + 4 e 395 265 etot -8.0481E+01 mv 2 65 200 48 0 + 4 e 636 262 etot -8.3624E+01 mv 2 65 200 115 0 c 175 97.7 0.2 + 4 e 207 301 etot -7.1260E+01 mv 1 65 16 -15 0 + -1 e 1 320 etot 6.8594E+30 mv 1 65 99 -170 0 + 4 e 342 286 etot -7.3479E+01 mv 2 65 124 196 0 + 4 e 407 282 etot -8.8629E+01 mv 2 65 196 30 0 + 4 e 389 285 etot -8.8629E+01 mv 2 65 196 36 0 + 4 e 392 276 etot -7.5382E+01 mv 2 65 161 -47 0 + 4 e 356 294 etot -7.8478E+01 mv 2 65 135 -99 0 + 4 e 234 305 etot -7.6941E+01 mv 1 65 16 -64 0 + -1 e 1 327 etot 1.3528E+20 mv 1 65 167 -133 0 + 4 e 522 256 etot -8.7937E+01 mv 2 65 1 -60 0 + 4 e 436 289 etot -8.8095E+01 mv 2 65 124 -96 0 + -1 e 1 330 etot 1.3528E+20 mv 1 65 167 -103 0 + -1 e 1 331 etot 1.3528E+20 mv 1 65 179 -77 0 + 4 e 174 316 etot -8.6081E+01 mv 1 65 99 -182 0 c 99 3.1 0.0 + 4 e 314 303 etot -8.1788E+01 mv 1 65 16 -177 0 + -1 e 1 334 etot 1.3528E+20 mv 1 65 179 -3 0 + 4 e 190 306 etot -8.7356E+01 mv 1 65 48 -152 0 c 48 3.6 0.2 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etot -8.6267E+01 mv 1 65 167 -158 0 + 4 e 209 340 etot -8.3346E+01 mv 1 65 199 -148 0 + 4 e 204 341 etot -9.0761E+01 mv 1 65 24 -183 0 + 4 e 111 351 etot -7.0636E+01 mv 1 65 139 -106 0 + 4 e 204 343 etot -9.0761E+01 mv 1 65 24 75 0 + 4 e 262 338 etot -8.3346E+01 mv 1 65 199 193 0 + 4 e 471 314 etot -8.9752E+01 mv 1 65 84 -74 0 + 4 e 452 317 etot -7.5845E+01 mv 1 65 99 -112 0 + 4 e 199 348 etot -8.8215E+01 mv 1 65 36 17 0 + 4 e 660 299 etot -8.4121E+01 mv 2 65 193 -151 0 + 4 e 304 337 etot -7.6368E+01 mv 1 65 199 -183 0 + 4 e 208 336 etot -8.3346E+01 mv 1 65 199 191 0 + 4 e 308 339 etot -8.2252E+01 mv 1 65 199 115 0 + -1 e 1 369 etot 1.3528E+20 mv 1 65 174 -181 0 + 4 e 270 329 etot -7.4558E+01 mv 1 65 167 -34 0 + 4 e 366 333 etot -8.2015E+01 mv 1 65 179 -80 0 + 4 e 184 349 etot -8.6523E+01 mv 1 65 36 -79 0 + 4 e 151 359 etot -7.2543E+01 mv 1 65 1 139 0 + 4 e 541 319 etot -7.8949E+01 mv 1 65 99 -51 0 + 4 e 186 358 etot -8.8115E+01 mv 1 65 1 99 0 + 4 e 482 326 etot -8.8050E+01 mv 1 65 167 -67 0 + 4 e 470 332 etot -7.7143E+01 mv 1 65 179 -128 0 + 4 e 145 370 etot -8.7383E+01 mv 1 65 174 70 0 + 4 e 288 354 etot -8.8358E+01 mv 1 65 139 -50 0 + 4 e 256 357 etot -8.6675E+01 mv 1 65 1 -129 0 + 8 e 3 379 etot -3.1994E+01 mv 1 65 161 -21 0 + 4 e 180 366 etot -8.7383E+01 mv 1 65 174 -12 0 + 4 e 450 318 etot -8.1435E+01 mv 1 65 99 -59 0 + 4 e 311 353 etot -8.2125E+01 mv 1 65 139 106 0 + 4 e 422 347 etot -7.7878E+01 mv 1 65 36 -54 0 + 4 e 255 363 etot -8.7346E+01 mv 1 65 200 -2 0 + 4 e 241 365 etot -8.7592E+01 mv 1 65 200 -96 0 + 4 e 643 323 etot -7.7634E+01 mv 1 65 122 -184 0 + 4 e 420 325 etot -8.3020E+01 mv 1 65 122 -137 0 + 4 e 341 355 etot -8.8359E+01 mv 1 65 139 200 0 + 4 e 168 375 etot -7.1163E+01 mv 1 65 38 137 0 + 4 e 260 367 etot -8.6945E+01 mv 1 65 174 -131 0 + 4 e 184 368 etot -8.7383E+01 mv 1 65 174 39 0 + 4 e 271 356 etot -7.5890E+01 mv 1 65 1 90 0 + 4 e 333 362 etot -7.5890E+01 mv 1 65 200 -44 0 + 4 e 510 346 etot -8.2522E+01 mv 1 65 36 188 0 + -1 e 1 397 etot 1.3528E+20 mv 1 65 193 49 0 + 4 e 548 344 etot -7.8768E+01 mv 1 65 24 -147 0 + 4 e 351 361 etot -8.7345E+01 mv 1 65 200 100 0 + 4 e 168 373 etot -8.7217E+01 mv 1 65 38 -200 0 + 4 e 141 380 etot -7.5326E+01 mv 1 65 161 185 0 + 4 e 262 372 etot -7.4153E+01 mv 1 65 38 139 0 + 4 e 256 374 etot -8.1740E+01 mv 1 65 38 148 0 + 4 e 205 371 etot -8.7216E+01 mv 1 65 38 -189 0 + 4 e 139 387 etot -6.8279E+01 mv 1 65 124 49 0 + 4 e 186 388 etot -8.8097E+01 mv 1 65 124 138 0 + 4 e 235 381 etot -8.8680E+01 mv 1 65 196 -154 0 + 4 e 386 352 etot -8.2541E+01 mv 1 65 139 45 0 + 4 e 75 406 etot -8.8051E+01 mv 0 65 167 0 0 + 4 e 239 385 etot -8.8316E+01 mv 1 65 196 53 0 + 4 e 311 377 etot -8.8687E+01 mv 1 65 161 12 0 + 4 e 2 411 etot -8.8359E+01 mv 0 65 139 0 0 + 4 e 190 391 etot -8.6896E+01 mv 1 65 135 -79 0 + 4 e 2 412 etot -8.8115E+01 mv 0 65 1 0 0 + 4 e 27 408 etot -8.3346E+01 mv 0 65 199 0 0 c 199 0.0 0.0 + 4 e 2 415 etot -8.7217E+01 mv 0 65 38 0 0 + 4 e 13 410 etot -8.8216E+01 mv 0 65 36 0 0 c 36 0.0 0.0 + 4 e 2 417 etot -8.8680E+01 mv 0 65 196 0 0 + 4 e 2 418 etot -8.8097E+01 mv 0 65 124 0 0 +## N0 total= 19 close= 10 far= 0 %acc 52.6 +## N1 total= 101 close= 3 far= 0 %acc 3.0 +## N2 total= 100 close= 3 far= 0 %acc 3.0 +## N3 total= 0 close= 0 far= 0 %acc 0.0 +## N4 total= 0 close= 0 far= 0 %acc 0.0 +## N5 total= 0 close= 0 far= 0 %acc 0.0 +## N6 total= 200 close= 14 far= 0 %acc 7.0 +## N7 total= 0 close= 0 far= 0 %acc 0.0 +## N8 total= 0 close= 0 far= 0 %acc 0.0 +## N9 total= 0 close= 0 far= 0 %acc 0.0 +##N10 total= 0 close= 0 far= 0 %acc 0.0 +##N11 total= 0 close= 0 far= 0 %acc 0.0 +##N12 total= 0 close= 0 far= 0 %acc 0.0 +##N13 total= 0 close= 0 far= 0 %acc 0.0 +##N14 total= 0 close= 0 far= 0 %acc 0.0 +##N15 total= 0 close= 0 far= 0 %acc 0.0 +##N16 total= 0 close= 0 far= 0 %acc 0.0 +##N17 total= 0 close= 0 far= 0 %acc 0.0 +##N18 total= 0 close= 0 far= 0 %acc 0.0 + Time for refresh 66 0.29 + make_var : nseed= 20 ntry= 420 + Time for make trial 67 0.09 +Nonsetup time 130.98 sec, Eval/s = 65013.44 +Time for iter 67 1.73 sec, Eval/s = 65843.55 + UPDATING 420 + 4 e 294 398 etot -8.5508E+01 mv 1 65 193 184 0 + 4 e 322 389 etot -8.8096E+01 mv 1 65 124 -27 0 + 4 e 429 382 etot -8.8678E+01 mv 1 65 196 -190 0 + 4 e 297 392 etot -7.7572E+01 mv 1 65 135 74 0 + 4 e 265 399 etot -8.7018E+01 mv 1 65 193 175 0 + 4 e 175 404 etot -8.6081E+01 mv 0 65 99 0 0 + 4 e 40 419 etot -8.7040E+01 mv 0 65 135 0 0 c 135 0.1 0.0 + 4 e 67 413 etot -8.7592E+01 mv 0 65 200 0 0 + 4 e 562 360 etot -8.8112E+01 mv 1 65 1 58 0 + 4 e 313 386 etot -8.2799E+01 mv 1 65 124 189 0 + -1 e 1 2 etot 1.3528E+20 mv 6 66 16 57 0 + 4 e 444 376 etot -8.0794E+01 mv 1 65 161 -49 0 + 4 e 153 402 etot -8.7152E+01 mv 0 65 48 0 0 + 4 e 296 393 etot -8.7039E+01 mv 1 65 135 161 0 + 4 e 286 400 etot -8.7018E+01 mv 1 65 193 76 0 + 4 e 146 403 etot -9.0901E+01 mv 0 65 84 0 0 c 84 1.5 0.0 + 4 e 19 414 etot -8.7384E+01 mv 0 65 174 0 0 c 174 0.0 0.0 + 4 e 111 407 etot -8.4694E+01 mv 0 65 179 0 0 c 179 0.8 0.0 + -1 e 1 9 etot 6.4360E+22 mv 6 66 16 14 0 + 4 e 269 396 etot -8.7018E+01 mv 1 65 193 99 0 + -1 e 1 10 etot 1.3528E+20 mv 6 66 16 53 0 + -1 e 1 12 etot 1.3528E+20 mv 6 66 44 47 0 + 4 e 75 420 etot -8.7019E+01 mv 0 65 193 0 0 c 193 0.3 0.0 + 4 e 345 378 etot -8.9072E+01 mv 1 65 161 -196 0 c 161 47.9 0.4 + 4 e 438 383 etot -8.8678E+01 mv 1 65 196 82 0 + 4 e 53 416 etot -8.8687E+01 mv 0 65 161 0 0 + 4 e 552 364 etot -8.1796E+01 mv 1 65 200 -56 0 + -1 e 1 22 etot 1.3528E+20 mv 6 66 48 148 0 + 4 e 208 394 etot -8.7039E+01 mv 1 65 135 110 0 + 4 e 107 405 etot -8.8104E+01 mv 0 65 122 0 0 c 122 2.2 0.0 + 4 e 50 409 etot -9.0761E+01 mv 0 65 24 0 0 + 4 e 569 350 etot -8.8214E+01 mv 1 65 36 170 0 + 4 e 610 384 etot -8.7417E+01 mv 1 65 196 -130 0 c 25 278.5 0.1 + -1 e 1 26 etot 1.3528E+20 mv 6 66 48 162 0 + 4 e 111 401 etot -8.3543E+01 mv 0 65 16 0 0 + 4 e 222 390 etot -8.8097E+01 mv 1 65 124 -49 0 + 4 e 337 395 etot -8.7039E+01 mv 1 65 135 -199 0 + 4 e 18 14 etot -8.2974E+01 mv 6 66 44 166 0 c 166 0.0 0.0 + -1 e 1 38 etot 1.3528E+20 mv 6 66 92 167 0 + -1 e 1 39 etot 1.3528E+20 mv 6 66 92 21 0 + 4 e 67 24 etot -8.4718E+01 mv 6 66 48 94 0 c 94 0.4 0.0 + 4 e 141 33 etot -6.8778E+01 mv 6 66 92 122 0 + 4 e 139 36 etot -6.2295E+01 mv 6 66 92 188 0 + 4 e 178 35 etot -8.7444E+01 mv 6 66 92 138 0 c 92 3.2 0.0 + -1 e 1 44 etot 1.3528E+20 mv 6 66 167 53 0 + -1 e 1 45 etot 8.6282E+25 mv 6 66 167 5 0 + -1 e 1 46 etot 1.3528E+20 mv 6 66 167 95 0 + 4 e 195 17 etot -8.2885E+01 mv 6 66 44 151 0 + 4 e 250 6 etot -8.0524E+01 mv 6 66 16 114 0 + -1 e 1 49 etot 1.3528E+20 mv 6 66 167 16 0 + 4 e 281 5 etot -8.3692E+01 mv 6 66 16 177 0 + 4 e 260 25 etot -7.3858E+01 mv 6 66 48 145 0 + 4 e 313 4 etot -8.0079E+01 mv 6 66 16 186 0 + 4 e 282 1 etot -8.4523E+01 mv 6 66 16 177 0 c 16 1.1 0.0 + 4 e 240 41 etot -8.7713E+01 mv 6 66 167 86 0 + 4 e 317 37 etot -7.5858E+01 mv 6 66 92 20 0 + 4 e 312 11 etot -8.5864E+01 mv 6 66 44 31 0 + 4 e 306 8 etot -8.3726E+01 mv 6 66 16 180 0 + 4 e 326 19 etot -7.2136E+01 mv 6 66 44 95 0 + 4 e 339 20 etot -7.1181E+01 mv 6 66 44 184 0 + 4 e 335 28 etot -7.5499E+01 mv 6 66 48 163 0 + 4 e 338 27 etot -8.4330E+01 mv 6 66 48 94 0 + 4 e 345 3 etot -7.5185E+01 mv 6 66 16 118 0 + 4 e 363 34 etot -7.7712E+01 mv 6 66 92 6 0 + 4 e 364 21 etot -8.7892E+01 mv 6 66 48 19 0 c 59 108.7 0.8 + 4 e 414 31 etot -7.3419E+01 mv 6 66 92 26 0 + 4 e 419 13 etot -7.1134E+01 mv 6 66 44 62 0 + 4 e 427 29 etot -8.0237E+01 mv 6 66 48 178 0 + -1 e 1 68 etot 1.3528E+20 mv 6 66 85 104 0 + 4 e 422 16 etot -8.7012E+01 mv 6 66 44 68 0 c 44 38.6 0.1 + 4 e 218 48 etot -7.3867E+01 mv 6 66 167 17 0 + 4 e 566 7 etot -8.4203E+01 mv 6 66 16 20 0 + 4 e 404 23 etot -7.4478E+01 mv 6 66 48 120 0 + 4 e 290 51 etot -7.7976E+01 mv 6 66 175 93 0 + -1 e 1 74 etot 1.3528E+20 mv 6 66 8 172 0 + 4 e 432 18 etot -7.8621E+01 mv 6 66 44 199 0 + 4 e 415 40 etot -8.3972E+01 mv 6 66 92 121 0 + 4 e 258 47 etot -8.8147E+01 mv 6 66 167 150 0 + 4 e 363 50 etot -8.6656E+01 mv 6 66 167 3 0 + 4 e 381 42 etot -8.8049E+01 mv 6 66 167 37 0 + 4 e 390 43 etot -8.8049E+01 mv 6 66 167 116 0 + 4 e 217 55 etot -8.0500E+01 mv 6 66 175 57 0 + 4 e 552 32 etot -8.2454E+01 mv 6 66 92 111 0 + 4 e 259 60 etot -8.3625E+01 mv 6 66 175 21 0 c 175 6.3 0.0 + 4 e 212 59 etot -8.4997E+01 mv 6 66 175 14 0 + -1 e 1 85 etot 4.3237E+20 mv 6 66 161 159 0 + 4 e 147 79 etot -6.6616E+01 mv 6 66 8 108 0 + -1 e 1 87 etot 1.3528E+20 mv 6 66 161 91 0 + -1 e 1 88 etot 1.3528E+20 mv 6 66 161 138 0 + 4 e 225 61 etot -8.2401E+01 mv 6 66 85 84 0 + 4 e 256 57 etot -8.3252E+01 mv 6 66 175 14 0 + 4 e 600 30 etot -6.7654E+01 mv 6 66 48 195 0 + 4 e 337 52 etot -8.8596E+01 mv 6 66 175 86 0 + 4 e 201 66 etot -8.5924E+01 mv 6 66 85 195 0 + 4 e 590 15 etot -8.2946E+01 mv 6 66 44 189 0 + 4 e 222 64 etot -8.6806E+01 mv 6 66 85 162 0 + 4 e 318 54 etot -8.1248E+01 mv 6 66 175 125 0 + 4 e 256 62 etot -8.5923E+01 mv 6 66 85 43 0 + 4 e 522 53 etot -8.1306E+01 mv 6 66 175 48 0 + 4 e 285 71 etot -8.9544E+01 mv 6 66 8 108 0 + 4 e 329 56 etot -8.3488E+01 mv 6 66 175 56 0 + 4 e 324 73 etot -9.0746E+01 mv 6 66 8 195 0 + 4 e 317 58 etot -8.3625E+01 mv 6 66 175 193 0 + 4 e 330 72 etot -7.6378E+01 mv 6 66 8 174 0 + 4 e 212 84 etot -8.8687E+01 mv 6 66 161 175 0 + 4 e 308 67 etot -8.7846E+01 mv 6 66 85 1 0 + 4 e 327 65 etot -8.2912E+01 mv 6 66 85 25 0 f 60 404.2 0.2 + 4 e 299 77 etot -7.8107E+01 mv 6 66 8 139 0 + 4 e 331 70 etot -7.4842E+01 mv 6 66 85 198 0 + 4 e 430 75 etot -7.2943E+01 mv 6 66 8 56 0 + 4 e 183 97 etot -8.7960E+01 mv 6 66 139 150 0 + -1 e 1 110 etot 1.3528E+20 mv 6 66 36 126 0 + 4 e 301 78 etot -7.6083E+01 mv 6 66 8 172 0 + 4 e 172 100 etot -7.5614E+01 mv 6 66 139 103 0 + -1 e 1 114 etot 3.4289E+22 mv 6 66 124 102 0 + 4 e 252 91 etot -7.6932E+01 mv 6 66 139 199 0 + 4 e 476 63 etot -8.2302E+01 mv 6 66 85 52 0 + 4 e 252 81 etot -8.6292E+01 mv 6 66 161 107 0 + 4 e 235 99 etot -8.6934E+01 mv 6 66 139 98 0 + -1 e 1 119 etot 1.3528E+20 mv 6 66 124 96 0 + 4 e 304 82 etot -7.6826E+01 mv 6 66 161 186 0 + 4 e 339 89 etot -7.7813E+01 mv 6 66 161 80 0 + 4 e 238 103 etot -8.0675E+01 mv 6 66 36 181 0 + 4 e 291 102 etot -7.8539E+01 mv 6 66 36 121 0 + 4 e 366 93 etot -8.4322E+01 mv 6 66 139 184 0 + 4 e 214 112 etot -8.7217E+01 mv 6 66 124 38 0 + 4 e 433 69 etot -7.9888E+01 mv 6 66 85 161 0 + 4 e 402 95 etot -8.5750E+01 mv 6 66 139 144 0 + 4 e 655 76 etot -7.6287E+01 mv 6 66 8 109 0 + 4 e 264 94 etot -8.4689E+01 mv 6 66 139 30 0 + 4 e 245 109 etot -8.4388E+01 mv 6 66 36 155 0 + 4 e 295 105 etot -8.0342E+01 mv 6 66 36 64 0 + 4 e 421 86 etot -8.6829E+01 mv 6 66 161 153 0 + -1 e 1 133 etot 1.3528E+20 mv 6 66 41 171 0 + 4 e 411 98 etot -7.0832E+01 mv 6 66 139 83 0 + 4 e 291 108 etot -7.7577E+01 mv 6 66 36 72 0 + 4 e 286 107 etot -8.5115E+01 mv 6 66 36 43 0 c 43 41.0 0.3 + 4 e 228 117 etot -8.7884E+01 mv 6 66 124 61 0 + 4 e 410 80 etot -8.0039E+01 mv 6 66 8 155 0 + -1 e 1 139 etot 2.2415E+23 mv 6 66 41 100 0 + 4 e 129 124 etot -7.2338E+01 mv 6 66 174 157 0 + 4 e 270 116 etot -8.7838E+01 mv 6 66 124 165 0 + 4 e 176 123 etot -8.6704E+01 mv 6 66 174 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493 216 etot -8.7193E+01 mv 2 66 92 -78 0 + 4 e 217 262 etot -6.8413E+01 mv 2 66 174 -183 0 + 4 e 356 250 etot -7.9954E+01 mv 2 66 139 -5 0 + 4 e 249 254 etot -7.4412E+01 mv 2 66 36 -157 0 + 4 e 252 260 etot -8.8097E+01 mv 2 66 124 54 0 + 4 e 307 263 etot -7.5286E+01 mv 2 66 174 -20 0 + 4 e 263 268 etot -8.7380E+01 mv 2 66 41 127 0 + 4 e 371 258 etot -8.4836E+01 mv 2 66 124 9 0 + 4 e 231 273 etot -8.7308E+01 mv 2 66 180 181 0 + 4 e 271 274 etot -6.6768E+01 mv 2 66 180 -175 0 + 4 e 277 270 etot -8.4612E+01 mv 2 66 41 -5 0 + 4 e 185 286 etot -7.0984E+01 mv 2 66 96 -170 0 + 4 e 581 246 etot -7.2722E+01 mv 2 66 139 -46 0 + 4 e 277 259 etot -8.7459E+01 mv 2 66 124 200 0 + 4 e 377 266 etot -7.8639E+01 mv 2 66 41 135 0 + 4 e 177 290 etot -8.8647E+01 mv 2 66 96 133 0 + 4 e 313 275 etot -8.6665E+01 mv 2 66 180 30 0 + 4 e 365 271 etot -7.4867E+01 mv 2 66 180 -25 0 + 4 e 313 281 etot -8.8679E+01 mv 2 66 196 124 0 + 4 e 319 283 etot -7.8406E+01 mv 2 66 196 -137 0 + 4 e 318 285 etot -8.2944E+01 mv 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365 297 etot -8.7216E+01 mv 2 66 38 152 0 + -1 e 1 329 etot 1.3528E+20 mv 1 66 175 -80 0 + 4 e 498 265 etot -7.5496E+01 mv 2 66 174 -117 0 + 4 e 356 303 etot -8.3238E+01 mv 1 66 16 -121 0 + 4 e 565 291 etot -8.1497E+01 mv 2 66 40 42 0 + 4 e 408 287 etot -8.8645E+01 mv 2 66 96 -29 0 + 4 e 469 278 etot -7.6685E+01 mv 2 66 183 -100 0 + 4 e 331 307 etot -7.9621E+01 mv 1 66 44 -45 0 + 4 e 486 296 etot -8.2004E+01 mv 2 66 38 192 0 + 4 e 218 316 etot -8.7444E+01 mv 1 66 92 -172 0 + 4 e 394 306 etot -7.4436E+01 mv 1 66 44 -161 0 + -1 e 1 339 etot 1.3528E+20 mv 1 66 8 -176 0 + 4 e 628 292 etot -8.4283E+01 mv 2 66 40 -92 0 + 4 e 491 282 etot -7.9115E+01 mv 2 66 196 181 0 + -1 e 1 342 etot 1.3528E+20 mv 1 66 161 -26 0 + 4 e 285 315 etot -8.7356E+01 mv 1 66 48 -66 0 + 4 e 529 302 etot -8.3997E+01 mv 1 66 16 -28 0 + 4 e 509 304 etot -8.4521E+01 mv 1 66 16 -92 0 + 4 e 402 310 etot -8.6955E+01 mv 1 66 44 -84 0 + 4 e 209 317 etot -6.6537E+01 mv 1 66 92 -111 0 + 4 e 197 330 etot -7.9436E+01 mv 1 66 175 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340 etot -8.9200E+01 mv 1 66 8 -9 0 + 4 e 343 332 etot -8.5843E+01 mv 1 66 85 -6 0 + 4 e 279 337 etot -8.9262E+01 mv 1 66 8 42 0 c 8 49.0 0.1 + 4 e 152 355 etot -8.8062E+01 mv 1 66 36 -33 0 + 4 e 185 351 etot -8.7420E+01 mv 1 66 36 133 0 + 4 e 180 353 etot -8.8215E+01 mv 1 66 36 -131 0 + 4 e 184 360 etot -8.8097E+01 mv 1 66 124 133 0 + 4 e 295 345 etot -8.8687E+01 mv 1 66 161 -172 0 + 4 e 174 361 etot -8.5822E+01 mv 1 66 174 -100 0 + 4 e 331 344 etot -8.0434E+01 mv 1 66 161 -7 0 + 4 e 186 365 etot -8.7383E+01 mv 1 66 174 -102 0 + 4 e 259 359 etot -8.8097E+01 mv 1 66 124 -22 0 + 4 e 198 367 etot -8.3423E+01 mv 1 66 41 151 0 + 4 e 200 368 etot -8.4196E+01 mv 1 66 41 -74 0 + 4 e 195 371 etot -8.7308E+01 mv 1 66 180 -134 0 + 4 e 262 348 etot -8.8359E+01 mv 1 66 139 38 0 + 4 e 494 336 etot -8.0453E+01 mv 1 66 8 -196 0 + 4 e 390 346 etot -8.8358E+01 mv 1 66 139 -104 0 + -1 e 1 387 etot 1.3528E+20 mv 1 66 96 -55 0 + 4 e 275 362 etot -7.7852E+01 mv 1 66 174 103 0 + 4 e 370 356 etot -7.9650E+01 mv 1 66 124 134 0 + 4 e 340 358 etot -8.7459E+01 mv 1 66 124 127 0 + -1 e 1 391 etot 1.3528E+20 mv 1 66 40 51 0 + 4 e 319 343 etot -8.8687E+01 mv 1 66 161 52 0 + 4 e 391 352 etot -8.4362E+01 mv 1 66 36 149 0 + 4 e 291 370 etot -8.4612E+01 mv 1 66 41 146 0 + 4 e 199 376 etot -8.5735E+01 mv 1 66 183 -153 0 + 4 e 301 372 etot -7.6441E+01 mv 1 66 180 -104 0 + 4 e 427 334 etot -7.6831E+01 mv 1 66 85 -118 0 + 4 e 219 378 etot -8.5414E+01 mv 1 66 183 -125 0 + 4 e 379 366 etot -8.7380E+01 mv 1 66 41 -137 0 + 4 e 515 347 etot -8.0833E+01 mv 1 66 139 -17 0 + 4 e 327 373 etot -8.1065E+01 mv 1 66 180 86 0 + 4 e 194 380 etot -8.7603E+01 mv 1 66 183 -116 0 + 4 e 242 379 etot -8.7603E+01 mv 1 66 183 -17 0 + 4 e 324 374 etot -8.7307E+01 mv 1 66 180 -32 0 + 4 e 217 381 etot -8.8827E+01 mv 1 66 196 180 0 c 196 49.4 0.1 + 4 e 389 375 etot -6.7009E+01 mv 1 66 180 39 0 + 4 e 93 403 etot -8.7356E+01 mv 0 66 48 0 0 + 4 e 2 408 etot -8.9201E+01 mv 0 66 8 0 0 + 4 e 16 407 etot -8.5924E+01 mv 0 66 85 0 0 c 85 0.0 0.0 + 4 e 157 395 etot -8.8154E+01 mv 1 66 40 -80 0 + 4 e 2 410 etot -8.8359E+01 mv 0 66 139 0 0 + 4 e 2 412 etot -8.8097E+01 mv 0 66 124 0 0 + 4 e 516 335 etot -7.1495E+01 mv 1 66 85 -179 0 + 4 e 119 401 etot -8.4523E+01 mv 0 66 16 0 0 c 16 0.5 0.0 + 4 e 576 331 etot -7.4717E+01 mv 1 66 85 141 0 + 4 e 14 411 etot -8.8216E+01 mv 0 66 36 0 0 c 36 0.0 0.0 + 4 e 2 417 etot -8.8680E+01 mv 0 66 196 0 0 + 4 e 2 416 etot -8.7603E+01 mv 0 66 183 0 0 + 4 e 10 414 etot -8.7381E+01 mv 0 66 41 0 0 c 41 0.0 0.0 +## N0 total= 22 close= 10 far= 0 %acc 45.5 +## N1 total= 98 close= 6 far= 0 %acc 6.1 +## N2 total= 100 close= 3 far= 0 %acc 3.0 +## N3 total= 0 close= 0 far= 0 %acc 0.0 +## N4 total= 0 close= 0 far= 0 %acc 0.0 +## N5 total= 0 close= 0 far= 0 %acc 0.0 +## N6 total= 200 close= 11 far= 1 %acc 6.0 +## N7 total= 0 close= 0 far= 0 %acc 0.0 +## N8 total= 0 close= 0 far= 0 %acc 0.0 +## N9 total= 0 close= 0 far= 0 %acc 0.0 +##N10 total= 0 close= 0 far= 0 %acc 0.0 +##N11 total= 0 close= 0 far= 0 %acc 0.0 +##N12 total= 0 close= 0 far= 0 %acc 0.0 +##N13 total= 0 close= 0 far= 0 %acc 0.0 +##N14 total= 0 close= 0 far= 0 %acc 0.0 +##N15 total= 0 close= 0 far= 0 %acc 0.0 +##N16 total= 0 close= 0 far= 0 %acc 0.0 +##N17 total= 0 close= 0 far= 0 %acc 0.0 +##N18 total= 0 close= 0 far= 0 %acc 0.0 + Time for refresh 67 0.28 + make_var : nseed= 20 ntry= 420 + Time for make trial 68 0.07 +Nonsetup time 133.38 sec, Eval/s = 64734.99 +Time for iter 68 2.41 sec, Eval/s = 49578.39 + UPDATING 420 + 4 e 133 404 etot -8.7444E+01 mv 0 66 92 0 0 c 92 0.9 0.0 + 4 e 344 382 etot -7.8405E+01 mv 1 66 196 -135 0 + 4 e 19 413 etot -8.7384E+01 mv 0 66 174 0 0 + 4 e 376 388 etot -8.7630E+01 mv 1 66 96 181 0 + 4 e 53 409 etot -8.8687E+01 mv 0 66 161 0 0 + 4 e 315 392 etot -6.6057E+01 mv 1 66 40 -121 0 + 4 e 273 386 etot -8.3653E+01 mv 1 66 96 143 0 + 4 e 470 389 etot -8.1771E+01 mv 1 66 96 12 0 + 4 e 620 354 etot -8.4205E+01 mv 1 66 36 -52 0 + 4 e 457 383 etot -8.4583E+01 mv 1 66 196 -112 0 + 4 e 79 418 etot 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0 + 4 e 477 357 etot -8.8095E+01 mv 1 66 124 -107 0 + -1 e 1 24 etot 1.3528E+20 mv 6 67 43 105 0 + -1 e 1 26 etot 1.3528E+20 mv 6 67 43 30 0 + -1 e 1 28 etot 1.3528E+20 mv 6 67 43 79 0 + -1 e 1 32 etot 1.3528E+20 mv 6 67 44 63 0 + 4 e 202 4 etot -7.3300E+01 mv 6 67 8 5 0 + 4 e 207 13 etot -7.0404E+01 mv 6 67 25 47 0 + 4 e 215 29 etot -7.3508E+01 mv 6 67 43 33 0 + 4 e 228 33 etot -6.6940E+01 mv 6 67 44 9 0 + 4 e 219 2 etot -8.9262E+01 mv 6 67 8 98 0 + 4 e 229 17 etot -8.2956E+01 mv 6 67 25 41 0 + 4 e 239 18 etot -8.7323E+01 mv 6 67 25 195 0 + 4 e 255 21 etot -7.2280E+01 mv 6 67 43 58 0 + 4 e 271 25 etot -8.5115E+01 mv 6 67 43 29 0 c 43 2.7 0.0 + 4 e 278 34 etot -7.5101E+01 mv 6 67 44 35 0 + 4 e 271 1 etot -8.9262E+01 mv 6 67 8 58 0 + -1 e 1 46 etot 1.3528E+20 mv 6 67 48 82 0 + 4 e 287 6 etot -9.0286E+01 mv 6 67 8 103 0 + -1 e 1 48 etot 1.3528E+20 mv 6 67 48 88 0 + 4 e 299 27 etot -8.4858E+01 mv 6 67 43 161 0 + 4 e 255 3 etot -8.7933E+01 mv 6 67 8 50 0 + -1 e 1 51 etot 1.3528E+20 mv 6 67 59 76 0 + -1 e 1 52 etot 1.3528E+20 mv 6 67 59 186 0 + 4 e 318 7 etot -8.9785E+01 mv 6 67 8 81 0 + 4 e 303 23 etot -8.1923E+01 mv 6 67 43 63 0 + -1 e 1 55 etot 1.1122E+23 mv 6 67 59 129 0 + 4 e 322 31 etot -7.3525E+01 mv 6 67 44 155 0 + 4 e 317 22 etot -8.5114E+01 mv 6 67 43 45 0 + 4 e 337 12 etot -7.5520E+01 mv 6 67 25 163 0 + 4 e 335 9 etot -9.0276E+01 mv 6 67 8 75 0 + 4 e 339 30 etot -8.1589E+01 mv 6 67 43 33 0 + 4 e 342 10 etot -8.2212E+01 mv 6 67 8 127 0 + 4 e 334 15 etot -8.7419E+01 mv 6 67 25 178 0 c 25 5.1 0.0 + 4 e 156 41 etot -7.1770E+01 mv 6 67 48 182 0 + 4 e 414 8 etot -8.2529E+01 mv 6 67 8 113 0 + 4 e 238 40 etot -8.7014E+01 mv 6 67 44 163 0 c 44 2.3 0.0 + 4 e 413 11 etot -8.7372E+01 mv 6 67 25 82 0 + 4 e 532 5 etot -7.6956E+01 mv 6 67 8 25 0 + 4 e 442 16 etot -7.5041E+01 mv 6 67 25 21 0 + 4 e 259 37 etot -8.2200E+01 mv 6 67 44 81 0 + -1 e 1 70 etot 1.3528E+20 mv 6 67 60 32 0 + 4 e 200 45 etot -8.4387E+01 mv 6 67 48 101 0 + 4 e 273 39 etot -7.8979E+01 mv 6 67 44 142 0 + 4 e 274 47 etot -8.5737E+01 mv 6 67 48 193 0 + 4 e 528 14 etot -8.3716E+01 mv 6 67 25 159 0 + 4 e 532 20 etot -9.2263E+01 mv 6 67 25 90 0 c 104 27.7 0.0 + 4 e 379 74 etot -7.7116E+01 mv 6 67 150 114 0 + 4 e 347 66 etot -8.2049E+01 mv 6 67 60 34 0 + 4 e 291 53 etot -8.1448E+01 mv 6 67 59 95 0 + 4 e 459 36 etot -8.0934E+01 mv 6 67 44 62 0 + 4 e 420 68 etot -8.5676E+01 mv 6 67 60 80 0 c 149 229.4 0.2 + 4 e 390 49 etot -8.8982E+01 mv 6 67 48 199 0 + 4 e 399 54 etot -8.7891E+01 mv 6 67 59 67 0 + 4 e 310 65 etot -8.2912E+01 mv 6 67 60 87 0 c 60 2.7 0.0 + 4 e 386 60 etot -8.2454E+01 mv 6 67 59 76 0 + 4 e 516 62 etot -8.2207E+01 mv 6 67 60 134 0 + 4 e 255 67 etot -8.2364E+01 mv 6 67 60 196 0 + 4 e 291 59 etot -8.9790E+01 mv 6 67 59 87 0 c 152 117.2 0.7 + 4 e 227 71 etot -8.8680E+01 mv 6 67 150 61 0 + 4 e 317 75 etot -8.2499E+01 mv 6 67 150 114 0 + 4 e 230 63 etot -8.7139E+01 mv 6 67 60 42 0 + 4 e 384 69 etot -8.1243E+01 mv 6 67 60 96 0 + -1 e 1 85 etot 1.3528E+20 mv 6 67 161 122 0 + 4 e 317 64 etot -7.1635E+01 mv 6 67 60 39 0 + 4 e 334 42 etot -8.7517E+01 mv 6 67 48 105 0 + 4 e 523 19 etot -8.0229E+01 mv 6 67 25 99 0 + 4 e 578 76 etot -8.3648E+01 mv 6 67 150 60 0 + 4 e 427 43 etot -8.9292E+01 mv 6 67 48 26 0 + 4 e 364 58 etot -7.8132E+01 mv 6 67 59 137 0 + 4 e 359 56 etot -8.5485E+01 mv 6 67 59 34 0 + 4 e 653 35 etot -7.8483E+01 mv 6 67 44 22 0 + 4 e 393 44 etot -7.8091E+01 mv 6 67 48 110 0 + -1 e 1 95 etot 1.3528E+20 mv 6 67 196 70 0 + 4 e 221 73 etot -7.1724E+01 mv 6 67 150 198 0 + 4 e 479 50 etot -8.7166E+01 mv 6 67 48 120 0 + -1 e 1 97 etot 1.3528E+20 mv 6 67 196 19 0 + -1 e 1 98 etot 1.3528E+20 mv 6 67 196 114 0 + 4 e 333 72 etot -8.5455E+01 mv 6 67 150 2 0 + 4 e 488 38 etot -8.4097E+01 mv 6 67 44 143 0 + 4 e 238 61 etot -8.2913E+01 mv 6 67 60 56 0 c 60 1.5 0.0 + 4 e 256 57 etot -8.3115E+01 mv 6 67 59 26 0 + -1 e 1 87 etot 1.3528E+20 mv 6 67 161 13 0 + 4 e 152 111 etot -8.8215E+01 mv 6 67 36 181 0 + 4 e 216 77 etot -8.5241E+01 mv 6 67 150 76 0 + -1 e 1 114 etot 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1.3528E+20 mv 6 67 174 12 0 + 4 e 430 135 etot -8.7458E+01 mv 6 67 124 181 0 + -1 e 1 178 etot 3.4722E+22 mv 6 67 174 171 0 + 4 e 232 149 etot -8.5614E+01 mv 6 67 122 40 0 + 4 e 608 120 etot -8.1959E+01 mv 6 67 36 68 0 + 4 e 56 179 etot -8.6134E+01 mv 6 67 174 98 0 c 98 0.1 0.0 + 4 e 19 181 etot -8.7019E+01 mv 6 67 180 193 0 c 193 0.0 0.0 + 4 e 511 121 etot -7.7184E+01 mv 6 67 1 65 0 + -1 e 1 184 etot 1.3528E+20 mv 6 67 180 175 0 + 4 e 300 146 etot -8.8103E+01 mv 6 67 122 8 0 + 4 e 45 183 etot -8.5092E+01 mv 6 67 180 113 0 c 113 0.3 0.0 + 4 e 414 147 etot -8.0119E+01 mv 6 67 122 50 0 + 4 e 320 156 etot -8.2281E+01 mv 6 67 200 33 0 + -1 e 1 189 etot 1.3528E+20 mv 6 67 180 51 0 + 4 e 331 152 etot -8.1948E+01 mv 6 67 200 33 0 + 4 e 363 154 etot -7.8810E+01 mv 6 67 200 155 0 + 4 e 153 171 etot -8.7772E+01 mv 6 67 174 46 0 + 4 e 246 167 etot -8.8049E+01 mv 6 67 88 17 0 + 4 e 259 169 etot -7.4733E+01 mv 6 67 88 149 0 + 4 e 378 155 etot -7.4263E+01 mv 6 67 200 135 0 + 4 e 474 134 etot 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etot -7.4961E+01 mv 6 67 88 95 0 + 4 e 267 193 etot -8.8978E+01 mv 6 67 96 171 0 + 4 e 290 190 etot -8.6033E+01 mv 6 67 180 55 0 + 4 e 520 151 etot -8.3981E+01 mv 6 67 200 104 0 + 4 e 229 201 etot -8.7455E+01 mv 2 67 8 -43 0 + 4 e 287 197 etot -8.7548E+01 mv 6 67 96 180 0 + 4 e 177 212 etot -7.1365E+01 mv 2 67 43 -110 0 + 4 e 360 188 etot -8.0323E+01 mv 6 67 180 174 0 + 4 e 149 211 etot -7.1351E+01 mv 2 67 43 -70 0 + 4 e 287 199 etot -7.5839E+01 mv 6 67 96 94 0 + 4 e 283 203 etot -7.4816E+01 mv 2 67 8 -3 0 + 4 e 234 213 etot -7.2924E+01 mv 2 67 43 -79 0 + 4 e 545 175 etot -8.5768E+01 mv 6 67 174 191 0 + 4 e 167 216 etot -7.0437E+01 mv 2 67 44 -49 0 + 4 e 383 194 etot -8.7445E+01 mv 6 67 96 32 0 + 4 e 240 210 etot -8.5961E+01 mv 2 67 25 -66 0 + 4 e 351 200 etot -8.6190E+01 mv 6 67 96 166 0 + -1 e 1 234 etot 1.3528E+20 mv 2 67 60 -157 0 + 4 e 344 144 etot -8.4518E+01 mv 6 67 122 9 0 + 4 e 432 196 etot -8.7860E+01 mv 6 67 96 26 0 + -1 e 1 237 etot 6.7194E+24 mv 2 67 150 -23 0 + 4 e 355 207 etot -6.8097E+01 mv 2 67 25 -34 0 + 4 e 154 225 etot -8.7655E+01 mv 2 67 48 -95 0 c 48 1.4 0.0 + 4 e 404 204 etot -7.5733E+01 mv 2 67 8 -129 0 + 4 e 498 195 etot -8.2089E+01 mv 6 67 96 151 0 + 4 e 394 214 etot -8.0748E+01 mv 2 67 43 -198 0 + -1 e 1 243 etot 1.3528E+20 mv 2 67 161 -91 0 + 4 e 282 219 etot -8.5581E+01 mv 2 67 44 -56 0 + 4 e 289 220 etot -8.7014E+01 mv 2 67 44 -21 0 + 4 e 251 206 etot -8.7419E+01 mv 2 67 25 -110 0 c 25 2.1 0.0 + 4 e 209 229 etot -6.3679E+01 mv 2 67 59 -183 0 + 4 e 305 223 etot -6.4327E+01 mv 2 67 48 -1 0 + 4 e 186 235 etot -8.2913E+01 mv 2 67 60 -32 0 c 60 2.1 0.0 + 4 e 403 217 etot -7.4346E+01 mv 2 67 44 -15 0 + 4 e 434 215 etot -7.6292E+01 mv 2 67 43 -105 0 + 4 e 267 231 etot -8.2912E+01 mv 2 67 60 -34 0 + 4 e 336 222 etot -5.4622E+01 mv 2 67 48 -192 0 + 4 e 146 246 etot -8.8827E+01 mv 2 67 196 -124 0 + 4 e 216 242 etot -6.5445E+01 mv 2 67 161 -141 0 + 4 e 477 174 etot -8.5198E+01 mv 6 67 174 132 0 + 4 e 749 192 etot -8.5715E+01 mv 6 67 96 43 0 + 4 e 385 230 etot -8.0037E+01 mv 2 67 59 -70 0 + 4 e 443 224 etot -7.8766E+01 mv 2 67 48 -46 0 + -1 e 1 260 etot 1.3528E+20 mv 2 67 36 -115 0 + 4 e 336 221 etot -7.1161E+01 mv 2 67 48 -6 0 + 4 e 321 239 etot -6.1738E+01 mv 2 67 150 -70 0 + 4 e 285 241 etot -8.9074E+01 mv 2 67 161 -55 0 + 4 e 213 248 etot -5.8507E+01 mv 2 67 196 -189 0 + 4 e 293 240 etot -7.3207E+01 mv 2 67 150 -5 0 + 4 e 439 228 etot -8.0667E+01 mv 2 67 59 -81 0 + 4 e 357 238 etot -7.0708E+01 mv 2 67 150 -122 0 + 4 e 479 227 etot -7.2668E+01 mv 2 67 59 -89 0 + 4 e 525 205 etot -8.4452E+01 mv 2 67 8 -145 0 + 4 e 302 245 etot -8.6267E+01 mv 2 67 161 -29 0 + 4 e 459 233 etot -7.2920E+01 mv 2 67 60 -146 0 + 4 e 360 218 etot -7.4693E+01 mv 2 67 44 -7 0 + 4 e 756 209 etot -7.8255E+01 mv 2 67 25 -186 0 + 4 e 173 256 etot -7.8783E+01 mv 2 67 36 200 0 + 4 e 513 232 etot -7.0460E+01 mv 2 67 60 -38 0 + 4 e 665 186 etot -8.5654E+01 mv 6 67 180 60 0 + 4 e 318 236 etot -8.5457E+01 mv 2 67 150 -119 0 + 4 e 397 226 etot -8.0702E+01 mv 2 67 59 -23 0 + 4 e 302 253 etot -7.2445E+01 mv 2 67 98 -18 0 + 4 e 331 251 etot -8.6133E+01 mv 2 67 98 -54 0 + 4 e 271 261 etot -8.8115E+01 mv 2 67 1 -140 0 + 4 e 284 258 etot -7.9911E+01 mv 2 67 36 185 0 + 4 e 320 247 etot -7.4669E+01 mv 2 67 196 -68 0 + 4 e 220 269 etot -8.8097E+01 mv 2 67 124 161 0 + 4 e 207 272 etot -6.6515E+01 mv 2 67 122 188 0 + 4 e 541 244 etot -8.2860E+01 mv 2 67 161 -107 0 + 4 e 447 252 etot -7.8211E+01 mv 2 67 98 -159 0 + 4 e 354 264 etot -7.9005E+01 mv 2 67 1 34 0 + 4 e 258 262 etot -7.3651E+01 mv 2 67 1 96 0 + 4 e 514 250 etot -7.7604E+01 mv 2 67 196 -114 0 + 4 e 336 268 etot -8.8097E+01 mv 2 67 124 19 0 + 4 e 146 283 etot -8.8050E+01 mv 2 67 88 12 0 + 4 e 472 255 etot -8.1784E+01 mv 2 67 98 -143 0 + 4 e 290 275 etot -8.8103E+01 mv 2 67 122 9 0 + 4 e 405 265 etot -7.0734E+01 mv 2 67 1 -164 0 + 4 e 191 278 etot -8.7592E+01 mv 2 67 200 -193 0 + 4 e 315 276 etot -8.0481E+01 mv 2 67 200 181 0 + 4 e 619 249 etot -7.5077E+01 mv 2 67 196 -92 0 + 4 e 598 254 etot 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291 etot -8.5842E+01 mv 2 67 180 -52 0 + 4 e 445 281 etot -8.8048E+01 mv 2 67 88 86 0 + -1 e 1 322 etot 1.3528E+20 mv 1 67 48 -122 0 + 4 e 264 294 etot -8.0104E+01 mv 2 67 180 -144 0 + -1 e 1 324 etot 1.3528E+20 mv 1 67 48 -185 0 + 4 e 193 305 etot -8.9262E+01 mv 1 67 8 -61 0 c 8 1.1 0.0 + 4 e 234 302 etot -6.8151E+01 mv 1 67 8 -156 0 + 4 e 316 284 etot -8.7305E+01 mv 2 67 88 171 0 + 4 e 332 293 etot -8.5494E+01 mv 2 67 180 -101 0 + -1 e 1 329 etot 1.3528E+20 mv 1 67 59 -129 0 + 4 e 319 298 etot -8.8646E+01 mv 2 67 96 66 0 + 4 e 296 300 etot -8.8647E+01 mv 2 67 96 170 0 + 4 e 260 306 etot -8.7419E+01 mv 1 67 25 -30 0 c 25 1.6 0.0 + 4 e 273 304 etot -6.7610E+01 mv 1 67 8 -1 0 + 4 e 316 299 etot -7.9797E+01 mv 2 67 96 98 0 + 4 e 587 257 etot -8.3488E+01 mv 2 67 36 -96 0 + 4 e 222 311 etot -8.3582E+01 mv 1 67 43 -37 0 + 4 e 420 292 etot -8.4227E+01 mv 2 67 180 33 0 c 172 271.9 0.5 + 4 e 565 287 etot -7.8762E+01 mv 2 67 174 -129 0 + 4 e 552 288 etot -7.6679E+01 mv 2 67 174 93 0 + 4 e 364 290 etot -8.1450E+01 mv 2 67 174 -160 0 + 4 e 266 321 etot -8.6626E+01 mv 1 67 48 -92 0 + 4 e 216 325 etot -8.7655E+01 mv 1 67 48 -39 0 + 4 e 449 303 etot -7.5874E+01 mv 1 67 8 -117 0 + 4 e 317 314 etot -7.8197E+01 mv 1 67 43 -154 0 + -1 e 1 345 etot 1.7473E+30 mv 1 67 161 -178 0 + -1 e 1 346 etot 1.3528E+20 mv 1 67 196 -137 0 + 4 e 173 332 etot -6.5995E+01 mv 1 67 60 -35 0 + 4 e 550 277 etot -7.5601E+01 mv 2 67 200 120 0 + 4 e 172 335 etot -8.2913E+01 mv 1 67 60 -110 0 c 60 1.1 0.0 + -1 e 1 350 etot 9.9366E+24 mv 1 67 196 -51 0 + 4 e 340 318 etot -6.8966E+01 mv 1 67 44 -169 0 + 4 e 597 289 etot -7.3260E+01 mv 2 67 174 99 0 + 4 e 219 331 etot -8.1483E+01 mv 1 67 60 -187 0 + 4 e 458 308 etot -8.1950E+01 mv 1 67 25 -187 0 + 4 e 612 273 etot -7.3013E+01 mv 2 67 122 -120 0 + 4 e 263 316 etot -8.7014E+01 mv 1 67 44 -60 0 + 4 e 302 327 etot -8.7893E+01 mv 1 67 59 -120 0 c 59 3.0 0.0 + 4 e 198 338 etot -6.2204E+01 mv 1 67 150 -63 0 + 4 e 337 326 etot -8.7847E+01 mv 1 67 59 -167 0 + 4 e 604 296 etot -9.1402E+01 mv 2 67 96 144 0 c 117 128.1 0.0 + 4 e 468 323 etot -7.3270E+01 mv 1 67 48 -124 0 + 4 e 482 320 etot -8.7012E+01 mv 1 67 44 -29 0 + 4 e 464 297 etot -8.4219E+01 mv 2 67 96 -105 0 + 4 e 204 336 etot -8.5525E+01 mv 1 67 150 -86 0 c 150 2.3 0.0 + 4 e 245 340 etot -7.8143E+01 mv 1 67 150 -185 0 + 4 e 390 330 etot -8.7891E+01 mv 1 67 59 -96 0 + 4 e 616 309 etot -8.2377E+01 mv 1 67 25 -107 0 + 4 e 151 360 etot -8.8215E+01 mv 1 67 36 58 0 + 4 e 172 359 etot -8.7421E+01 mv 1 67 36 43 0 + -1 e 1 370 etot 1.3528E+20 mv 1 67 124 128 0 + -1 e 1 371 etot 1.3528E+20 mv 1 67 122 26 0 + 4 e 284 347 etot -6.9018E+01 mv 1 67 196 -16 0 + 4 e 316 328 etot -8.8011E+01 mv 1 67 59 -27 0 + 4 e 256 352 etot -8.6133E+01 mv 1 67 98 200 0 + 4 e 491 333 etot -7.5207E+01 mv 1 67 60 -82 0 + 4 e 304 351 etot -8.6132E+01 mv 1 67 98 72 0 + 4 e 488 334 etot -7.6802E+01 mv 1 67 60 -108 0 + 4 e 362 344 etot -8.9073E+01 mv 1 67 161 -186 0 + 4 e 418 339 etot -7.7370E+01 mv 1 67 150 -188 0 + 4 e 374 348 etot -6.9783E+01 mv 1 67 196 -26 0 + 4 e 253 361 etot -7.5922E+01 mv 1 67 1 -59 0 + 4 e 277 341 etot -8.9074E+01 mv 1 67 161 -82 0 + 4 e 545 307 etot -8.7167E+01 mv 1 67 25 -172 0 + 4 e 414 342 etot -7.4838E+01 mv 1 67 161 -80 0 + 4 e 212 366 etot -7.5387E+01 mv 1 67 124 47 0 + 4 e 358 354 etot -8.2546E+01 mv 1 67 98 64 0 + 4 e 256 356 etot -8.1538E+01 mv 1 67 36 -159 0 + 4 e 566 337 etot -7.7645E+01 mv 1 67 150 -84 0 + 4 e 204 368 etot -8.8097E+01 mv 1 67 124 103 0 + 4 e 236 367 etot -8.8097E+01 mv 1 67 124 85 0 + 4 e 410 355 etot -8.6133E+01 mv 1 67 98 -138 0 + 4 e 502 343 etot -7.2138E+01 mv 1 67 161 -86 0 + 4 e 305 362 etot -7.2981E+01 mv 1 67 1 -113 0 + -1 e 1 394 etot 1.3528E+20 mv 1 67 180 -77 0 + 4 e 454 353 etot -8.6132E+01 mv 1 67 98 40 0 + 4 e 277 357 etot -8.8215E+01 mv 1 67 36 -20 0 + 4 e 326 363 etot -8.8115E+01 mv 1 67 1 -29 0 + 4 e 409 358 etot -8.2523E+01 mv 1 67 36 109 0 + 4 e 162 379 etot -6.9427E+01 mv 1 67 200 2 0 + 4 e 247 369 etot -8.7346E+01 mv 1 67 124 -69 0 + 4 e 194 378 etot -8.7592E+01 mv 1 67 200 67 0 + 4 e 131 386 etot -8.7383E+01 mv 1 67 174 165 0 + 4 e 253 376 etot -8.7346E+01 mv 1 67 200 -145 0 + 4 e 281 365 etot -8.8114E+01 mv 1 67 1 195 0 + 4 e 236 381 etot -8.8050E+01 mv 1 67 88 200 0 + 4 e 224 385 etot -8.7356E+01 mv 1 67 88 157 0 + 4 e 120 388 etot -8.7383E+01 mv 1 67 174 81 0 + 4 e 131 401 etot -8.9262E+01 mv 0 67 8 0 0 c 8 0.6 0.0 + 4 e 175 383 etot -8.8050E+01 mv 1 67 88 -116 0 + 4 e 165 392 etot -8.7308E+01 mv 1 67 180 96 0 + 4 e 305 377 etot -8.7591E+01 mv 1 67 200 96 0 + 4 e 114 403 etot -8.5115E+01 mv 0 67 43 0 0 c 43 1.4 0.0 + 4 e 121 402 etot -8.7420E+01 mv 0 67 25 0 0 c 25 1.5 0.0 + 4 e 2 413 etot -8.8115E+01 mv 0 67 1 0 0 + 4 e 175 395 etot -8.7308E+01 mv 1 67 180 -29 0 + 4 e 2 414 etot -8.8097E+01 mv 0 67 124 0 0 + 4 e 14 416 etot -8.7592E+01 mv 0 67 200 0 0 c 200 0.0 0.0 + 4 e 47 412 etot -8.8216E+01 mv 0 67 36 0 0 c 36 0.2 0.0 + 4 e 26 417 etot -8.8050E+01 mv 0 67 88 0 0 c 88 0.0 0.0 +## N0 total= 18 close= 12 far= 0 %acc 66.7 +## N1 total= 102 close= 5 far= 0 %acc 4.9 +## N2 total= 100 close= 5 far= 0 %acc 5.0 +## N3 total= 0 close= 0 far= 0 %acc 0.0 +## N4 total= 0 close= 0 far= 0 %acc 0.0 +## N5 total= 0 close= 0 far= 0 %acc 0.0 +## N6 total= 200 close= 15 far= 0 %acc 7.5 +## N7 total= 0 close= 0 far= 0 %acc 0.0 +## N8 total= 0 close= 0 far= 0 %acc 0.0 +## N9 total= 0 close= 0 far= 0 %acc 0.0 +##N10 total= 0 close= 0 far= 0 %acc 0.0 +##N11 total= 0 close= 0 far= 0 %acc 0.0 +##N12 total= 0 close= 0 far= 0 %acc 0.0 +##N13 total= 0 close= 0 far= 0 %acc 0.0 +##N14 total= 0 close= 0 far= 0 %acc 0.0 +##N15 total= 0 close= 0 far= 0 %acc 0.0 +##N16 total= 0 close= 0 far= 0 %acc 0.0 +##N17 total= 0 close= 0 far= 0 %acc 0.0 +##N18 total= 0 close= 0 far= 0 %acc 0.0 + Time for refresh 68 0.41 + make_var : nseed= 20 ntry= 420 + Time for make trial 69 0.05 +Nonsetup time 135.35 sec, Eval/s = 64709.94 +Time for iter 69 1.97 sec, Eval/s = 63012.57 + UPDATING 420 + 4 e 499 391 etot -8.6567E+01 mv 1 67 180 189 0 + 4 e 472 372 etot -8.8102E+01 mv 1 67 122 -184 0 + 4 e 56 411 etot -8.6134E+01 mv 0 67 98 0 0 + 4 e 259 393 etot -8.5823E+01 mv 1 67 180 -187 0 + 4 e 345 389 etot -8.5021E+01 mv 1 67 174 -67 0 + 4 e 143 406 etot -8.7893E+01 mv 0 67 59 0 0 c 59 1.7 0.0 + 4 e 392 382 etot -8.7048E+01 mv 1 67 88 -184 0 + 4 e 455 399 etot -8.8645E+01 mv 1 67 96 29 0 + 4 e 31 419 etot -8.7309E+01 mv 0 67 180 0 0 + 4 e 200 398 etot -8.8647E+01 mv 1 67 96 -111 0 + 4 e 505 400 etot -7.4619E+01 mv 1 67 96 -113 0 + 4 e 435 390 etot -7.9381E+01 mv 1 67 174 -91 0 + 4 e 336 396 etot -8.7548E+01 mv 1 67 96 -113 0 + 4 e 723 375 etot -8.6841E+01 mv 1 67 122 10 0 + -1 e 1 4 etot 1.3528E+20 mv 6 68 104 29 0 + 4 e 79 420 etot -8.8647E+01 mv 0 67 96 0 0 + 4 e 464 387 etot -7.7834E+01 mv 1 67 174 115 0 + 4 e 41 415 etot -8.8104E+01 mv 0 67 122 0 0 c 122 0.1 0.0 + 4 e 138 409 etot -8.9075E+01 mv 0 67 161 0 0 c 161 2.2 0.0 + 4 e 25 418 etot -8.7384E+01 mv 0 67 174 0 0 c 174 0.0 0.0 + 4 e 91 407 etot -8.2913E+01 mv 0 67 60 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4 e 219 23 etot -8.5676E+01 mv 6 68 149 94 0 c 149 2.4 0.0 + 4 e 278 6 etot -7.5345E+01 mv 6 68 104 130 0 + 4 e 238 12 etot -8.6570E+01 mv 6 68 147 78 0 + 4 e 235 21 etot -8.1701E+01 mv 6 68 149 181 0 + 4 e 295 5 etot -8.1105E+01 mv 6 68 104 52 0 + 4 e 54 37 etot -8.4702E+01 mv 6 68 152 78 0 c 78 0.1 0.0 + 4 e 292 22 etot -8.5676E+01 mv 6 68 149 136 0 + 4 e 304 2 etot -9.2302E+01 mv 6 68 104 16 0 c 104 34.2 0.0 + 4 e 224 49 etot -8.4814E+01 mv 6 68 172 130 0 c 172 22.6 0.6 + 4 e 377 3 etot -8.3929E+01 mv 6 68 104 126 0 + 4 e 499 15 etot -8.1189E+01 mv 6 68 147 163 0 + 4 e 298 46 etot -7.0448E+01 mv 6 68 172 151 0 + 4 e 301 43 etot -7.8926E+01 mv 6 68 172 73 0 + 4 e 428 7 etot -8.1910E+01 mv 6 68 104 147 0 + 4 e 178 41 etot -8.4228E+01 mv 6 68 172 141 0 + 4 e 370 11 etot -8.6570E+01 mv 6 68 147 49 0 + 4 e 241 44 etot -8.4726E+01 mv 6 68 172 183 0 + 4 e 391 14 etot -8.3580E+01 mv 6 68 147 99 0 + 4 e 370 16 etot -8.6565E+01 mv 6 68 147 8 0 + 4 e 315 17 etot -7.9520E+01 mv 6 68 147 181 0 + 4 e 497 18 etot -7.4812E+01 mv 6 68 147 183 0 + 4 e 427 19 etot -8.6439E+01 mv 6 68 147 97 0 + -1 e 1 53 etot 4.6936E+27 mv 6 68 196 134 0 + 4 e 207 45 etot -8.4570E+01 mv 6 68 172 69 0 + 4 e 171 48 etot -8.4228E+01 mv 6 68 172 159 0 + 4 e 170 42 etot -8.2763E+01 mv 6 68 172 21 0 + 4 e 356 30 etot -7.9853E+01 mv 6 68 149 192 0 + 4 e 266 25 etot -7.5361E+01 mv 6 68 149 49 0 + 4 e 166 27 etot -8.6378E+01 mv 6 68 149 82 0 + 4 e 534 29 etot -8.1280E+01 mv 6 68 149 3 0 + 4 e 317 32 etot -8.5563E+01 mv 6 68 152 130 0 + 4 e 367 33 etot -8.2797E+01 mv 6 68 152 86 0 + -1 e 1 55 etot 1.3528E+20 mv 6 68 196 74 0 + 4 e 320 47 etot -7.2819E+01 mv 6 68 172 170 0 + -1 e 1 75 etot 1.3528E+20 mv 6 68 8 130 0 + 4 e 464 36 etot -8.3067E+01 mv 6 68 152 195 0 + 4 e 69 51 etot -8.6086E+01 mv 6 68 196 52 0 c 52 0.2 0.0 + 4 e 446 35 etot -7.6302E+01 mv 6 68 152 178 0 + 4 e 596 10 etot -8.4615E+01 mv 6 68 104 88 0 + -1 e 1 80 etot 1.3528E+20 mv 6 68 8 151 0 + 4 e 620 31 etot -7.1923E+01 mv 6 68 152 87 0 + -1 e 1 82 etot 1.3528E+20 mv 6 68 139 184 0 + 4 e 41 69 etot -8.5692E+01 mv 6 68 101 45 0 c 45 0.1 0.0 + 4 e 401 40 etot -7.5949E+01 mv 6 68 152 157 0 + 4 e 170 65 etot -6.9373E+01 mv 6 68 101 191 0 + 4 e 224 50 etot -8.4228E+01 mv 6 68 172 149 0 + 4 e 181 67 etot -8.8207E+01 mv 6 68 101 100 0 + 4 e 188 68 etot -8.8207E+01 mv 6 68 101 124 0 + 4 e 196 76 etot -7.0308E+01 mv 6 68 8 10 0 + 4 e 364 26 etot -9.0083E+01 mv 6 68 149 199 0 + 4 e 197 73 etot -7.4754E+01 mv 6 68 8 177 0 + 4 e 242 66 etot -8.7546E+01 mv 6 68 101 171 0 + 4 e 245 77 etot -8.7933E+01 mv 6 68 8 107 0 + 4 e 310 54 etot -8.6062E+01 mv 6 68 196 106 0 + 4 e 238 72 etot -7.6475E+01 mv 6 68 8 183 0 + 4 e 243 71 etot -8.7933E+01 mv 6 68 8 14 0 + 4 e 276 79 etot -7.6917E+01 mv 6 68 8 48 0 + 4 e 395 62 etot -8.7002E+01 mv 6 68 101 141 0 + 4 e 331 57 etot -8.8870E+01 mv 6 68 196 199 0 c 196 4.0 0.0 + 4 e 254 85 etot -8.7276E+01 mv 6 68 139 197 0 + 4 e 424 28 etot -8.0810E+01 mv 6 68 149 31 0 + 4 e 206 89 etot -8.8917E+01 mv 6 68 139 24 0 + 4 e 446 63 etot -7.6592E+01 mv 6 68 101 56 0 + 4 e 334 81 etot -7.8083E+01 mv 6 68 139 48 0 + 4 e 458 52 etot -7.5188E+01 mv 6 68 196 165 0 + 4 e 397 78 etot -8.6194E+01 mv 6 68 8 1 0 f 13 489.6 3.4 + 4 e 470 64 etot -8.5647E+01 mv 6 68 101 147 0 + 4 e 432 58 etot -7.8791E+01 mv 6 68 196 65 0 + 4 e 415 56 etot -7.4280E+01 mv 6 68 196 131 0 + 4 e 260 83 etot -7.7228E+01 mv 6 68 139 68 0 + 4 e 463 59 etot -9.1845E+01 mv 6 68 196 91 0 + -1 e 1 112 etot 1.3528E+20 mv 6 68 124 144 0 + 4 e 280 90 etot -8.8289E+01 mv 6 68 139 50 0 + 4 e 302 86 etot -8.1817E+01 mv 6 68 139 197 0 + 4 e 210 95 etot -8.4521E+01 mv 6 68 36 18 0 + -1 e 1 116 etot 1.3528E+20 mv 6 68 124 87 0 + 4 e 511 74 etot -8.9085E+01 mv 6 68 8 40 0 + 4 e 259 93 etot -8.7771E+01 mv 6 68 36 71 0 + 4 e 338 87 etot -8.7275E+01 mv 6 68 139 16 0 + 4 e 571 61 etot -8.8889E+01 mv 6 68 101 148 0 + 4 e 570 60 etot -8.9026E+01 mv 6 68 196 33 0 + 4 e 102 114 etot -7.5103E+01 mv 6 68 124 50 0 + 4 e 238 99 etot -8.0104E+01 mv 6 68 36 116 0 + 4 e 185 97 etot -8.7772E+01 mv 6 68 36 63 0 + 4 e 436 88 etot -7.1922E+01 mv 6 68 139 105 0 + -1 e 1 126 etot 1.3528E+20 mv 6 68 48 99 0 + 4 e 359 98 etot -8.6396E+01 mv 6 68 36 103 0 + 4 e 338 101 etot -7.3264E+01 mv 6 68 1 89 0 + -1 e 1 129 etot 1.3528E+20 mv 6 68 48 70 0 + 4 e 294 106 etot -7.5559E+01 mv 6 68 1 89 0 + 4 e 285 108 etot -8.2150E+01 mv 6 68 1 170 0 + 4 e 321 105 etot -8.8114E+01 mv 6 68 1 138 0 + 4 e 236 119 etot -7.4102E+01 mv 6 68 124 143 0 + -1 e 1 133 etot 1.3528E+20 mv 6 68 183 192 0 + 4 e 317 96 etot -8.5306E+01 mv 6 68 36 163 0 + -1 e 1 136 etot 1.3528E+20 mv 6 68 183 14 0 + 4 e 368 92 etot -8.0254E+01 mv 6 68 36 24 0 + 4 e 543 94 etot -7.5506E+01 mv 6 68 36 163 0 + 4 e 453 100 etot -6.9505E+01 mv 6 68 36 52 0 + 4 e 308 70 etot -7.0120E+01 mv 6 68 101 62 0 + 4 e 424 103 etot -8.8114E+01 mv 6 68 1 105 0 + 4 e 419 104 etot -7.4540E+01 mv 6 68 1 35 0 + 4 e 330 120 etot -7.5452E+01 mv 6 68 124 86 0 + 4 e 418 109 etot -7.9877E+01 mv 6 68 1 75 0 + 4 e 433 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139 -13 0 + 4 e 531 241 etot -8.3191E+01 mv 2 68 139 159 0 + 4 e 775 218 etot -8.6080E+01 mv 2 68 152 -53 0 + 4 e 400 252 etot -7.9739E+01 mv 2 68 1 -66 0 + -1 e 1 292 etot 1.3528E+20 mv 2 68 38 12 0 + 4 e 416 264 etot -6.8963E+01 mv 2 68 48 -77 0 + 4 e 182 278 etot -8.7383E+01 mv 2 68 174 54 0 + 4 e 290 270 etot -7.6866E+01 mv 2 68 183 -180 0 + 4 e 284 271 etot -8.7592E+01 mv 2 68 200 69 0 + 4 e 491 256 etot -8.3767E+01 mv 2 68 124 24 0 + 4 e 638 238 etot -7.8457E+01 mv 2 68 8 -117 0 + 4 e 502 259 etot -6.3467E+01 mv 2 68 124 -137 0 + 4 e 127 288 etot -8.8104E+01 mv 2 68 122 64 0 + 4 e 286 275 etot -7.1566E+01 mv 2 68 200 17 0 + 4 e 428 242 etot -8.7992E+01 mv 2 68 139 -167 0 + 4 e 206 282 etot -8.7381E+01 mv 2 68 41 86 0 + 4 e 355 269 etot -7.5946E+01 mv 2 68 183 -9 0 + 4 e 236 284 etot -7.8086E+01 mv 2 68 41 200 0 + 4 e 246 281 etot -8.6975E+01 mv 2 68 41 -98 0 + 4 e 244 285 etot -8.7381E+01 mv 2 68 41 15 0 + 4 e 366 272 etot -7.9410E+01 mv 2 68 200 140 0 + 4 e 546 263 etot -8.1066E+01 mv 2 68 48 20 0 + 4 e 110 298 etot -8.7212E+01 mv 2 68 79 104 0 c 79 0.5 0.0 + 4 e 530 267 etot -8.7424E+01 mv 2 68 183 -196 0 + 4 e 225 291 etot -7.4152E+01 mv 2 68 38 -165 0 + 4 e 344 268 etot -7.8213E+01 mv 2 68 183 4 0 + 4 e 568 240 etot -7.8348E+01 mv 2 68 8 142 0 + 4 e 198 300 etot -8.6915E+01 mv 2 68 79 -115 0 + 4 e 268 295 etot -7.3764E+01 mv 2 68 38 65 0 + 4 e 197 302 etot -7.3770E+01 mv 1 68 104 -77 0 + -1 e 1 318 etot 1.3528E+20 mv 1 68 152 -138 0 + 4 e 156 306 etot -8.6567E+01 mv 1 68 147 -2 0 c 147 1.4 0.0 + -1 e 1 320 etot 1.3528E+20 mv 1 68 152 -140 0 + 4 e 252 296 etot -8.7211E+01 mv 2 68 79 -85 0 + 4 e 322 294 etot -7.4468E+01 mv 2 68 38 -93 0 + 4 e 266 299 etot -8.2329E+01 mv 2 68 79 108 0 + 4 e 544 260 etot -8.4296E+01 mv 2 68 124 179 0 + 4 e 416 290 etot -7.7133E+01 mv 2 68 122 14 0 + 4 e 319 287 etot -8.7523E+01 mv 2 68 122 52 0 + -1 e 1 327 etot 1.3528E+20 mv 1 68 196 -46 0 + 8 e 282 305 etot -6.3997E+01 mv 1 68 104 -188 0 + 4 e 424 293 etot -8.0433E+01 mv 2 68 38 -120 0 + 4 e 520 286 etot -8.8102E+01 mv 2 68 122 123 0 + 4 e 398 280 etot -8.5403E+01 mv 2 68 174 44 0 + 4 e 604 279 etot -8.0195E+01 mv 2 68 174 162 0 + 4 e 158 321 etot -8.4228E+01 mv 1 68 172 -143 0 + 4 e 302 308 etot -8.6712E+01 mv 1 68 147 -89 0 c 147 42.5 0.1 + 4 e 458 274 etot -8.0321E+01 mv 2 68 200 134 0 + 4 e 419 301 etot -8.9058E+01 mv 1 68 104 -150 0 + 4 e 520 289 etot -6.1757E+01 mv 2 68 122 -44 0 + 4 e 294 312 etot -8.2238E+01 mv 1 68 149 -38 0 + 4 e 306 303 etot -7.8055E+01 mv 1 68 104 -174 0 + 4 e 293 316 etot -8.9293E+01 mv 1 68 152 -62 0 + 4 e 154 329 etot -6.9421E+01 mv 1 68 196 -55 0 + -1 e 1 342 etot 1.3528E+20 mv 1 68 139 -108 0 + 4 e 130 331 etot -8.8207E+01 mv 1 68 101 40 0 + -1 e 1 344 etot 1.3528E+20 mv 1 68 139 55 0 + 4 e 419 309 etot -6.9832E+01 mv 1 68 147 -99 0 + 4 e 115 335 etot -8.6424E+01 mv 1 68 101 68 0 + 4 e 244 314 etot -8.5308E+01 mv 1 68 149 -76 0 + 4 e 343 319 etot -7.9541E+01 mv 1 68 152 -143 0 + 4 e 178 333 etot 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-30 0 + 4 e 181 349 etot -8.6764E+01 mv 1 68 36 21 0 + 4 e 186 350 etot -8.8215E+01 mv 1 68 36 -79 0 + 4 e 281 345 etot -7.5294E+01 mv 1 68 139 23 0 + 4 e 348 338 etot -8.9262E+01 mv 1 68 8 -46 0 + 4 e 178 348 etot -8.8215E+01 mv 1 68 36 -172 0 + 4 e 314 346 etot -8.8215E+01 mv 1 68 36 -169 0 + 4 e 163 360 etot -8.8097E+01 mv 1 68 124 -102 0 + 4 e 528 330 etot -8.1978E+01 mv 1 68 196 -104 0 + 4 e 236 358 etot -8.6434E+01 mv 1 68 124 194 0 + 4 e 817 310 etot -8.2411E+01 mv 1 68 147 -81 0 + 4 e 397 328 etot -8.8278E+01 mv 1 68 196 -35 0 + 4 e 207 371 etot -8.7592E+01 mv 1 68 200 146 0 + -1 e 1 382 etot 1.3528E+20 mv 1 68 41 180 0 + 4 e 225 368 etot -8.7603E+01 mv 1 68 183 137 0 + 4 e 259 365 etot -8.7655E+01 mv 1 68 48 -184 0 + 4 e 223 370 etot -8.5550E+01 mv 1 68 183 128 0 + 8 e 2 386 etot 5.1194E+02 mv 1 68 122 -104 0 + 4 e 236 372 etot -8.6775E+01 mv 1 68 200 -100 0 + 4 e 261 367 etot -7.5189E+01 mv 1 68 183 103 0 + 4 e 295 363 etot -8.7655E+01 mv 1 68 48 -138 0 + 4 e 352 359 etot -7.9065E+01 mv 1 68 124 25 0 + 4 e 629 334 etot -8.2119E+01 mv 1 68 101 -200 0 + 4 e 133 378 etot -8.7383E+01 mv 1 68 174 45 0 + 4 e 296 353 etot -8.5958E+01 mv 1 68 1 -141 0 + 4 e 262 373 etot -8.7592E+01 mv 1 68 200 114 0 + 4 e 166 379 etot -8.5459E+01 mv 1 68 174 -160 0 + 4 e 356 364 etot -8.6624E+01 mv 1 68 48 90 0 + 4 e 261 376 etot -7.3847E+01 mv 1 68 174 -97 0 + 4 e 321 356 etot -8.8097E+01 mv 1 68 124 -47 0 + 4 e 533 351 etot -8.8112E+01 mv 1 68 1 -2 0 + 4 e 327 374 etot -7.9411E+01 mv 1 68 200 92 0 + 4 e 380 366 etot -8.7602E+01 mv 1 68 183 84 0 + 4 e 488 355 etot -8.2435E+01 mv 1 68 1 -16 0 + 4 e 476 357 etot -7.2440E+01 mv 1 68 124 143 0 + 4 e 385 369 etot -8.7603E+01 mv 1 68 183 109 0 + 4 e 486 336 etot -8.9261E+01 mv 1 68 8 -110 0 + 4 e 202 384 etot -7.4077E+01 mv 1 68 41 -162 0 + 4 e 275 375 etot -6.6528E+01 mv 1 68 200 -186 0 + 4 e 205 385 etot -8.6680E+01 mv 1 68 41 144 0 + 4 e 2 409 etot -8.8359E+01 mv 0 68 139 0 0 + 4 e 9 410 etot -8.8216E+01 mv 0 68 36 0 0 c 36 0.0 0.0 + 4 e 2 411 etot -8.8115E+01 mv 0 68 1 0 0 + 4 e 18 408 etot -8.9262E+01 mv 0 68 8 0 0 c 8 0.0 0.0 + 4 e 2 412 etot -8.8097E+01 mv 0 68 124 0 0 + 4 e 2 414 etot -8.7603E+01 mv 0 68 183 0 0 + 4 e 297 380 etot -7.6169E+01 mv 1 68 174 -57 0 + 4 e 189 392 etot -8.7217E+01 mv 1 68 38 141 0 + 4 e 10 415 etot -8.7592E+01 mv 0 68 200 0 0 c 200 0.0 0.0 + 4 e 2 417 etot -8.7381E+01 mv 0 68 41 0 0 + 4 e 216 388 etot -8.6237E+01 mv 1 68 122 3 0 +## N0 total= 20 close= 11 far= 0 %acc 55.0 +## N1 total= 100 close= 2 far= 0 %acc 2.0 +## N2 total= 100 close= 4 far= 0 %acc 4.0 +## N3 total= 0 close= 0 far= 0 %acc 0.0 +## N4 total= 0 close= 0 far= 0 %acc 0.0 +## N5 total= 0 close= 0 far= 0 %acc 0.0 +## N6 total= 200 close= 10 far= 1 %acc 5.5 +## N7 total= 0 close= 0 far= 0 %acc 0.0 +## N8 total= 0 close= 0 far= 0 %acc 0.0 +## N9 total= 0 close= 0 far= 0 %acc 0.0 +##N10 total= 0 close= 0 far= 0 %acc 0.0 +##N11 total= 0 close= 0 far= 0 %acc 0.0 +##N12 total= 0 close= 0 far= 0 %acc 0.0 +##N13 total= 0 close= 0 far= 0 %acc 0.0 +##N14 total= 0 close= 0 far= 0 %acc 0.0 +##N15 total= 0 close= 0 far= 0 %acc 0.0 +##N16 total= 0 close= 0 far= 0 %acc 0.0 +##N17 total= 0 close= 0 far= 0 %acc 0.0 +##N18 total= 0 close= 0 far= 0 %acc 0.0 + Time for refresh 69 0.29 + make_var : nseed= 20 ntry= 420 + Time for make trial 70 0.10 +Nonsetup time 137.18 sec, Eval/s = 64701.89 +Time for iter 70 1.82 sec, Eval/s = 64104.70 + UPDATING 420 + 4 e 116 404 etot -8.9790E+01 mv 0 68 152 0 0 c 152 1.4 0.0 + 4 e 262 391 etot -8.4694E+01 mv 1 68 38 42 0 + 4 e 229 389 etot -8.6629E+01 mv 1 68 122 165 0 + 4 e 45 420 etot -8.7212E+01 mv 0 68 79 0 0 c 79 0.5 0.0 + 4 e 219 401 etot -9.2302E+01 mv 0 68 104 0 0 c 104 1.1 0.0 + -1 e 1 3 etot 1.3528E+20 mv 6 69 13 33 0 + -1 e 1 4 etot 1.3528E+20 mv 6 69 13 171 0 + -1 e 1 5 etot 4.4374E+24 mv 6 69 13 196 0 + 4 e 357 398 etot -8.7211E+01 mv 1 68 79 -74 0 + 4 e 135 405 etot -8.4228E+01 mv 0 68 172 0 0 + 4 e 214 390 etot -8.8104E+01 mv 1 68 122 180 0 + 4 e 41 418 etot 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e 368 330 etot -8.6030E+01 mv 1 69 150 -50 0 + 4 e 225 341 etot -8.9262E+01 mv 1 69 8 -195 0 + 4 e 421 302 etot -7.4648E+01 mv 1 69 13 -78 0 + 4 e 525 315 etot -8.9585E+01 mv 1 69 40 -13 0 + 4 e 336 320 etot -9.0209E+01 mv 1 69 104 -77 0 + 4 e 318 339 etot -8.8050E+01 mv 1 69 145 158 0 + 4 e 154 356 etot -8.8871E+01 mv 1 69 196 18 0 + 4 e 404 316 etot -9.2302E+01 mv 1 69 104 -111 0 + 4 e 263 348 etot -7.6540E+01 mv 1 69 1 12 0 + 4 e 223 355 etot -8.7592E+01 mv 1 69 200 -67 0 + 4 e 393 342 etot -8.9150E+01 mv 1 69 8 -73 0 + 4 e 410 322 etot -7.3921E+01 mv 1 69 147 -44 0 + 4 e 334 349 etot -8.7937E+01 mv 1 69 1 135 0 + 4 e 384 346 etot -8.5950E+01 mv 1 69 1 -23 0 + 4 e 544 332 etot -6.3872E+01 mv 1 69 172 -195 0 + 4 e 242 360 etot -8.8167E+01 mv 1 69 196 136 0 + 4 e 493 338 etot -8.4083E+01 mv 1 69 145 -50 0 + 4 e 234 363 etot -7.6809E+01 mv 1 69 36 173 0 + 4 e 334 353 etot -8.7592E+01 mv 1 69 200 189 0 + 4 e 253 350 etot -8.8115E+01 mv 1 69 1 27 0 + -1 e 1 382 etot 1.3528E+20 mv 1 69 38 -117 0 + 4 e 243 362 etot -8.8215E+01 mv 1 69 36 51 0 + 4 e 158 365 etot -8.8215E+01 mv 1 69 36 42 0 + 4 e 178 368 etot -8.7603E+01 mv 1 69 183 -46 0 + 4 e 365 352 etot -8.7591E+01 mv 1 69 200 161 0 + -1 e 1 387 etot 1.3528E+20 mv 1 69 139 -84 0 + 4 e 307 358 etot -8.8871E+01 mv 1 69 196 -70 0 + 4 e 440 347 etot -8.0961E+01 mv 1 69 1 -49 0 + 4 e 344 343 etot -8.9257E+01 mv 1 69 8 77 0 + 4 e 443 351 etot -8.7591E+01 mv 1 69 200 -119 0 + 4 e 109 380 etot -8.7383E+01 mv 1 69 174 54 0 + 4 e 124 381 etot -8.7217E+01 mv 1 69 38 192 0 + 4 e 573 344 etot -8.6431E+01 mv 1 69 8 13 0 + 4 e 168 376 etot -8.6516E+01 mv 1 69 174 -1 0 + 4 e 123 386 etot -8.8359E+01 mv 1 69 139 49 0 + 4 e 469 354 etot -8.7591E+01 mv 1 69 200 -140 0 + 4 e 318 357 etot -7.4065E+01 mv 1 69 196 107 0 + 4 e 249 372 etot -8.8097E+01 mv 1 69 124 90 0 + 4 e 211 375 etot -8.7839E+01 mv 1 69 124 172 0 + 4 e 181 378 etot -8.7383E+01 mv 1 69 174 94 0 + 4 e 218 379 etot -8.7383E+01 mv 1 69 174 176 0 + 4 e 439 364 etot -8.8214E+01 mv 1 69 36 -150 0 + 4 e 724 303 etot -8.6195E+01 mv 1 69 13 -161 0 + 4 e 347 371 etot -8.4632E+01 mv 1 69 124 40 0 + 4 e 286 367 etot -8.2185E+01 mv 1 69 183 112 0 + 4 e 70 402 etot -8.4998E+01 mv 0 69 33 0 0 + 4 e 183 383 etot -6.7995E+01 mv 1 69 38 134 0 + 4 e 145 393 etot -8.7211E+01 mv 1 69 79 128 0 + 4 e 2 410 etot -8.8115E+01 mv 0 69 1 0 0 + 4 e 12 411 etot -8.7592E+01 mv 0 69 200 0 0 c 200 0.0 0.0 + 4 e 562 359 etot -7.7768E+01 mv 1 69 196 178 0 + 4 e 150 391 etot -7.6786E+01 mv 1 69 79 -176 0 + 4 e 100 401 etot -8.6196E+01 mv 0 69 13 0 0 c 13 0.7 0.0 + 4 e 16 409 etot -8.9262E+01 mv 0 69 8 0 0 c 8 0.0 0.0 + 4 e 2 413 etot -8.8216E+01 mv 0 69 36 0 0 + 4 e 335 373 etot -8.2799E+01 mv 1 69 124 -159 0 + 4 e 2 415 etot -8.8097E+01 mv 0 69 124 0 0 + 4 e 2 414 etot -8.7603E+01 mv 0 69 183 0 0 +## N0 total= 20 close= 10 far= 0 %acc 50.0 +## N1 total= 100 close= 4 far= 0 %acc 4.0 +## N2 total= 100 close= 3 far= 0 %acc 3.0 +## N3 total= 0 close= 0 far= 0 %acc 0.0 +## N4 total= 0 close= 0 far= 0 %acc 0.0 +## N5 total= 0 close= 0 far= 0 %acc 0.0 +## N6 total= 200 close= 9 far= 0 %acc 4.5 +## N7 total= 0 close= 0 far= 0 %acc 0.0 +## N8 total= 0 close= 0 far= 0 %acc 0.0 +## N9 total= 0 close= 0 far= 0 %acc 0.0 +##N10 total= 0 close= 0 far= 0 %acc 0.0 +##N11 total= 0 close= 0 far= 0 %acc 0.0 +##N12 total= 0 close= 0 far= 0 %acc 0.0 +##N13 total= 0 close= 0 far= 0 %acc 0.0 +##N14 total= 0 close= 0 far= 0 %acc 0.0 +##N15 total= 0 close= 0 far= 0 %acc 0.0 +##N16 total= 0 close= 0 far= 0 %acc 0.0 +##N17 total= 0 close= 0 far= 0 %acc 0.0 +##N18 total= 0 close= 0 far= 0 %acc 0.0 + Time for refresh 70 0.79 + make_var : nseed= 20 ntry= 420 + Time for make trial 71 0.04 +Nonsetup time 139.56 sec, Eval/s = 64490.90 +Time for iter 71 2.39 sec, Eval/s = 52364.36 + UPDATING 420 + 4 e 67 408 etot -8.5361E+01 mv 0 69 145 0 0 c 145 0.2 0.0 + 4 e 2 418 etot -8.8359E+01 mv 0 69 139 0 0 + 4 e 609 361 etot -7.3924E+01 mv 1 69 36 57 0 + 4 e 209 394 etot -8.4139E+01 mv 1 69 79 -70 0 + 4 e 95 404 etot -9.2303E+01 mv 0 69 104 0 0 c 104 0.5 0.0 + -1 e 1 1 etot 1.3528E+20 mv 6 70 33 149 0 + -1 e 1 2 etot 1.3528E+20 mv 6 70 33 7 0 + 4 e 136 400 etot -8.7140E+01 mv 1 69 97 157 0 + 4 e 48 419 etot -8.7212E+01 mv 0 69 79 0 0 c 79 0.3 0.0 + 4 e 74 412 etot -8.8871E+01 mv 0 69 196 0 0 c 196 0.7 0.0 + 4 e 480 366 etot -8.7424E+01 mv 1 69 183 -13 0 + 4 e 102 406 etot -8.6031E+01 mv 0 69 150 0 0 c 150 0.9 0.0 + 4 e 434 397 etot -8.6700E+01 mv 1 69 97 -82 0 + 4 e 307 395 etot -8.6135E+01 mv 1 69 79 122 0 + -1 e 1 7 etot 1.3528E+20 mv 6 70 33 164 0 + 4 e 247 398 etot -8.7139E+01 mv 1 69 97 195 0 + 4 e 416 384 etot -6.9684E+01 mv 1 69 38 -90 0 + 4 e 266 392 etot -6.7800E+01 mv 1 69 79 66 0 + 4 e 2 417 etot -8.7217E+01 mv 0 69 38 0 0 + 4 e 572 369 etot -8.5278E+01 mv 1 69 183 -149 0 + 4 e 342 396 etot -8.0872E+01 mv 1 69 97 -154 0 + -1 e 1 13 etot 1.3528E+20 mv 6 70 40 123 0 + 4 e 434 389 etot -7.6115E+01 mv 1 69 139 134 0 + 4 e 577 377 etot -8.5633E+01 mv 1 69 174 -9 0 + 4 e 351 388 etot -7.4574E+01 mv 1 69 139 -46 0 + 4 e 247 390 etot -8.8359E+01 mv 1 69 139 72 0 + 4 e 160 403 etot -8.9559E+01 mv 0 69 40 0 0 + 4 e 119 405 etot -8.6713E+01 mv 0 69 147 0 0 c 147 1.4 0.0 + 4 e 329 370 etot -8.7603E+01 mv 1 69 183 144 0 + 4 e 71 407 etot -8.4814E+01 mv 0 69 172 0 0 c 172 0.6 0.0 + 4 e 296 385 etot -8.7216E+01 mv 1 69 38 47 0 + 4 e 399 374 etot -8.8096E+01 mv 1 69 124 167 0 + 4 e 74 420 etot -8.7140E+01 mv 0 69 97 0 0 c 97 0.5 0.0 + 4 e 166 399 etot -8.7140E+01 mv 1 69 97 126 0 + 4 e 10 416 etot -8.7384E+01 mv 0 69 174 0 0 c 174 0.0 0.0 + -1 e 1 34 etot 1.3528E+20 mv 6 70 153 167 0 + 4 e 108 25 etot -6.0771E+01 mv 6 70 95 1 0 + 4 e 151 27 etot -5.9723E+01 mv 6 70 95 146 0 + 4 e 272 5 etot -8.6229E+01 mv 6 70 33 136 0 c 33 3.2 0.0 + 4 e 146 15 etot -7.7178E+01 mv 6 70 40 184 0 + 4 e 251 3 etot -8.8206E+01 mv 6 70 33 101 0 + 4 e 169 32 etot -7.3454E+01 mv 6 70 153 109 0 + 4 e 223 8 etot -7.5956E+01 mv 6 70 33 172 0 + 4 e 166 35 etot -8.4981E+01 mv 6 70 153 129 0 + 4 e 337 4 etot -8.2773E+01 mv 6 70 33 67 0 + 4 e 216 36 etot -8.8055E+01 mv 6 70 153 139 0 c 153 4.1 0.0 + 4 e 233 17 etot -9.0025E+01 mv 6 70 40 105 0 + -1 e 1 47 etot 1.3528E+20 mv 6 70 184 102 0 + 4 e 143 39 etot -7.3976E+01 mv 6 70 153 6 0 + 4 e 240 14 etot -7.8843E+01 mv 6 70 40 131 0 + 4 e 260 19 etot -7.6242E+01 mv 6 70 40 20 0 + 4 e 365 9 etot -8.4185E+01 mv 6 70 33 149 0 + 4 e 290 26 etot -8.0855E+01 mv 6 70 95 59 0 + 4 e 310 33 etot -8.2527E+01 mv 6 70 153 69 0 + 4 e 350 23 etot -8.5228E+01 mv 6 70 95 192 0 c 95 73.6 0.4 + 4 e 198 40 etot -8.8055E+01 mv 6 70 153 127 0 c 153 1.3 0.0 + 4 e 352 20 etot -8.0587E+01 mv 6 70 40 134 0 + 4 e 275 43 etot -7.9674E+01 mv 6 70 184 165 0 + 4 e 144 52 etot -6.7013E+01 mv 6 70 193 174 0 + -1 e 1 59 etot 1.3528E+20 mv 6 70 193 190 0 + 4 e 366 6 etot -7.9586E+01 mv 6 70 33 85 0 + 4 e 382 12 etot -8.7699E+01 mv 6 70 40 48 0 c 48 64.5 0.0 + 4 e 344 18 etot -8.0347E+01 mv 6 70 40 102 0 + 4 e 188 31 etot -8.8055E+01 mv 6 70 153 96 0 c 153 0.8 0.0 + 4 e 383 22 etot -7.6260E+01 mv 6 70 95 47 0 + -1 e 1 65 etot 1.3528E+20 mv 6 70 64 27 0 + -1 e 1 66 etot 1.3528E+20 mv 6 70 64 85 0 + 4 e 250 42 etot -8.4042E+01 mv 6 70 184 31 0 + 4 e 402 45 etot -7.6505E+01 mv 6 70 184 164 0 + 4 e 283 41 etot -8.4299E+01 mv 6 70 184 43 0 c 184 1.3 0.0 + 4 e 308 38 etot -8.9058E+01 mv 6 70 153 161 0 + 4 e 266 46 etot -8.4343E+01 mv 6 70 184 65 0 + 4 e 242 48 etot -8.4358E+01 mv 6 70 184 140 0 + 4 e 378 49 etot -6.9626E+01 mv 6 70 184 19 0 + -1 e 1 74 etot 1.3528E+20 mv 6 70 8 147 0 + 4 e 225 53 etot -8.5741E+01 mv 6 70 193 150 0 + 4 e 340 51 etot -8.7357E+01 mv 6 70 193 113 0 c 193 90.2 0.2 + 4 e 293 60 etot -8.4287E+01 mv 6 70 193 110 0 + 4 e 313 50 etot -8.0493E+01 mv 6 70 184 61 0 + 4 e 323 55 etot -8.4666E+01 mv 6 70 193 105 0 + -1 e 1 80 etot 1.3528E+20 mv 6 70 8 54 0 + 4 e 565 11 etot -8.8348E+01 mv 6 70 40 133 0 + 4 e 293 29 etot -7.7594E+01 mv 6 70 95 155 0 + 4 e 698 21 etot -8.0780E+01 mv 6 70 95 74 0 + 4 e 604 24 etot -6.8253E+01 mv 6 70 95 42 0 + 4 e 499 37 etot -8.6305E+01 mv 6 70 153 178 0 + 4 e 229 56 etot -8.2874E+01 mv 6 70 193 54 0 + 4 e 302 30 etot -8.6085E+01 mv 6 70 95 70 0 + 4 e 361 58 etot -8.7207E+01 mv 6 70 193 149 0 + 4 e 306 63 etot -7.6460E+01 mv 6 70 64 19 0 + 4 e 703 16 etot -8.0744E+01 mv 6 70 40 77 0 + 4 e 212 70 etot -8.2811E+01 mv 6 70 64 170 0 + 4 e 258 73 etot -8.1702E+01 mv 6 70 8 164 0 + 4 e 280 68 etot -8.0550E+01 mv 6 70 64 174 0 + 4 e 329 67 etot -7.4973E+01 mv 6 70 64 122 0 + -1 e 1 94 etot 1.3528E+20 mv 6 70 1 111 0 + 4 e 711 10 etot -8.2296E+01 mv 6 70 33 115 0 + 4 e 563 44 etot -6.6012E+01 mv 6 70 184 162 0 + 4 e 522 57 etot -8.2412E+01 mv 6 70 193 31 0 + 4 e 168 86 etot -8.8215E+01 mv 6 70 36 3 0 + 4 e 240 72 etot -7.2019E+01 mv 6 70 8 143 0 + 4 e 396 69 etot -7.9715E+01 mv 6 70 64 178 0 + 4 e 223 81 etot -8.7772E+01 mv 6 70 36 142 0 + 4 e 219 84 etot -8.6525E+01 mv 6 70 36 183 0 + 4 e 142 90 etot -6.8790E+01 mv 6 70 36 80 0 + 4 e 377 75 etot -8.9262E+01 mv 6 70 8 74 0 + -1 e 1 106 etot 1.3528E+20 mv 6 70 124 35 0 + 4 e 218 82 etot -7.9668E+01 mv 6 70 36 57 0 + 4 e 278 79 etot -7.6504E+01 mv 6 70 8 18 0 + 4 e 324 76 etot -7.2680E+01 mv 6 70 8 194 0 + 4 e 374 61 etot -7.8842E+01 mv 6 70 64 146 0 + 4 e 291 78 etot -8.4354E+01 mv 6 70 8 118 0 f 177 388.9 1.6 + 4 e 366 77 etot -8.3435E+01 mv 6 70 8 56 0 + 4 e 230 95 etot -7.4114E+01 mv 6 70 1 76 0 + 4 e 281 91 etot -7.1976E+01 mv 6 70 1 54 0 + 4 e 559 54 etot -8.2128E+01 mv 6 70 193 43 0 + 4 e 619 62 etot -7.9663E+01 mv 6 70 64 47 0 + -1 e 1 117 etot 1.3528E+20 mv 6 70 88 28 0 + 4 e 562 71 etot -8.1160E+01 mv 6 70 8 111 0 + -1 e 1 119 etot 1.3528E+20 mv 6 70 88 132 0 + 4 e 253 103 etot -8.6960E+01 mv 6 70 124 171 0 + 4 e 270 102 etot -8.8097E+01 mv 6 70 124 179 0 + -1 e 1 122 etot 1.3528E+20 mv 6 70 48 160 0 + 4 e 259 104 etot -8.7299E+01 mv 6 70 124 56 0 + 4 e 239 108 etot -8.6776E+01 mv 6 70 124 158 0 + 4 e 471 89 etot -8.9541E+01 mv 6 70 36 4 0 + 4 e 348 87 etot -8.1278E+01 mv 6 70 36 69 0 + 4 e 150 115 etot -8.8050E+01 mv 6 70 88 23 0 + 4 e 173 88 etot -8.6689E+01 mv 6 70 36 150 0 + 4 e 400 93 etot -8.8050E+01 mv 6 70 1 167 0 + 4 e 293 112 etot -7.8972E+01 mv 6 70 88 8 0 + 4 e 319 105 etot -8.7884E+01 mv 6 70 124 131 0 + 4 e 267 98 etot -7.6711E+01 mv 6 70 1 44 0 + 4 e 565 85 etot -8.4734E+01 mv 6 70 36 5 0 + 4 e 240 111 etot -8.8050E+01 mv 6 70 88 104 0 + 4 e 415 97 etot -8.4997E+01 mv 6 70 1 95 0 + 4 e 416 100 etot -8.5113E+01 mv 6 70 1 43 0 + 4 e 277 101 etot -8.8096E+01 mv 6 70 124 67 0 + 4 e 214 83 etot -8.1668E+01 mv 6 70 36 187 0 + 4 e 308 96 etot -8.5101E+01 mv 6 70 1 110 0 + 4 e 530 28 etot -7.2624E+01 mv 6 70 95 79 0 + 4 e 153 124 etot -8.2017E+01 mv 6 70 48 145 0 + 4 e 394 113 etot -8.7557E+01 mv 6 70 88 96 0 + 4 e 423 107 etot -8.6999E+01 mv 6 70 124 26 0 + 4 e 334 114 etot -7.9467E+01 mv 6 70 88 61 0 + 4 e 278 121 etot -7.3037E+01 mv 6 70 48 165 0 + 4 e 339 120 etot -6.7151E+01 mv 6 70 88 94 0 + 4 e 192 137 etot -7.3040E+01 mv 6 70 183 122 0 + 4 e 558 109 etot -7.8715E+01 mv 6 70 124 164 0 + 4 e 591 92 etot -8.7937E+01 mv 6 70 1 14 0 + 4 e 232 136 etot -8.7603E+01 mv 6 70 183 66 0 + 4 e 260 130 etot -8.3275E+01 mv 6 70 48 84 0 + 4 e 379 126 etot -7.1563E+01 mv 6 70 48 73 0 + 4 e 624 110 etot -7.8669E+01 mv 6 70 124 5 0 + 4 e 408 125 etot -8.7655E+01 mv 6 70 48 56 0 + 4 e 312 135 etot -8.5839E+01 mv 6 70 183 21 0 + 4 e 343 116 etot -8.6391E+01 mv 6 70 88 61 0 + 4 e 324 99 etot -8.8115E+01 mv 6 70 1 87 0 + 4 e 314 142 etot -7.0029E+01 mv 6 70 200 78 0 + 4 e 392 131 etot -7.5373E+01 mv 6 70 183 81 0 + 4 e 10 160 etot -8.3855E+01 mv 6 70 167 160 0 c 160 0.0 0.0 + 4 e 286 143 etot -7.8890E+01 mv 6 70 200 15 0 + -1 e 1 162 etot 1.3528E+20 mv 6 70 174 111 0 + 4 e 235 146 etot -7.7532E+01 mv 6 70 200 170 0 + -1 e 1 163 etot 1.3528E+20 mv 6 70 174 78 0 + -1 e 1 164 etot 1.3915E+20 mv 6 70 174 113 0 + 4 e 404 134 etot -8.1140E+01 mv 6 70 183 98 0 + 4 e 418 132 etot -7.6788E+01 mv 6 70 183 194 0 + 4 e 557 118 etot -7.8480E+01 mv 6 70 88 164 0 + 4 e 455 64 etot -7.3999E+01 mv 6 70 64 119 0 + 4 e 479 128 etot -8.1302E+01 mv 6 70 48 66 0 + 4 e 304 145 etot -8.7591E+01 mv 6 70 200 164 0 + 4 e 276 147 etot -7.9797E+01 mv 6 70 200 177 0 + 4 e 236 150 etot -8.0484E+01 mv 6 70 200 135 0 + 4 e 545 127 etot -7.7978E+01 mv 6 70 48 8 0 + 4 e 585 123 etot -8.1066E+01 mv 6 70 48 140 0 + 4 e 125 165 etot -8.6115E+01 mv 6 70 174 48 0 + -1 e 1 177 etot 1.3528E+20 mv 6 70 180 22 0 + 4 e 354 138 etot -8.1868E+01 mv 6 70 183 166 0 + 4 e 229 155 etot -8.1416E+01 mv 6 70 167 94 0 + 4 e 478 144 etot -8.1719E+01 mv 6 70 200 6 0 + 4 e 386 140 etot -7.1992E+01 mv 6 70 183 21 0 + 4 e 377 152 etot -7.8367E+01 mv 6 70 167 76 0 + 4 e 392 149 etot -8.7591E+01 mv 6 70 200 18 0 + 4 e 220 168 etot -7.2259E+01 mv 6 70 174 37 0 + 8 e 75 180 etot -6.3993E+01 mv 6 70 180 68 0 + 4 e 247 161 etot -8.3890E+01 mv 6 70 174 158 0 + 4 e 360 153 etot -8.5823E+01 mv 6 70 167 78 0 + 4 e 345 158 etot -8.1516E+01 mv 6 70 167 188 0 + 4 e 485 133 etot -8.1250E+01 mv 6 70 183 192 0 + 4 e 204 174 etot -7.7864E+01 mv 6 70 180 142 0 + 4 e 293 167 etot -7.2449E+01 mv 6 70 174 4 0 + 4 e 308 169 etot -8.2638E+01 mv 6 70 174 187 0 + 4 e 543 148 etot -7.4121E+01 mv 6 70 200 120 0 + 4 e 513 151 etot -8.4564E+01 mv 6 70 167 41 0 + 4 e 304 172 etot -8.4067E+01 mv 6 70 180 37 0 + -1 e 1 196 etot 1.3528E+20 mv 6 70 79 60 0 + 4 e 276 173 etot -8.6500E+01 mv 6 70 180 81 0 + -1 e 1 197 etot 1.3528E+20 mv 6 70 79 45 0 + -1 e 1 198 etot 1.3528E+20 mv 6 70 79 144 0 + 4 e 438 159 etot -8.2510E+01 mv 6 70 167 169 0 + 4 e 248 181 etot -8.7217E+01 mv 6 70 38 22 0 + -1 e 1 202 etot 1.3528E+20 mv 2 70 33 -173 0 + 4 e 510 156 etot -8.2167E+01 mv 6 70 167 23 0 + -1 e 1 204 etot 1.3528E+20 mv 2 70 33 -43 0 + 4 e 360 175 etot -8.5741E+01 mv 6 70 180 75 0 + 4 e 164 191 etot -8.1353E+01 mv 6 70 79 176 0 + -1 e 1 207 etot 1.3528E+20 mv 2 70 40 -173 0 + 4 e 231 185 etot -7.3944E+01 mv 6 70 38 166 0 + 4 e 122 194 etot -7.0894E+01 mv 6 70 79 86 0 + 4 e 372 176 etot -8.1188E+01 mv 6 70 180 199 0 + 4 e 493 166 etot -7.7230E+01 mv 6 70 174 188 0 + -1 e 1 212 etot 1.3528E+20 mv 2 70 95 -182 0 + 4 e 159 193 etot -6.6158E+01 mv 6 70 79 160 0 + 4 e 392 178 etot -7.9026E+01 mv 6 70 180 129 0 + 4 e 631 154 etot -8.4165E+01 mv 6 70 167 21 0 + 4 e 354 183 etot -8.5637E+01 mv 6 70 38 159 0 + 4 e 324 188 etot -7.7559E+01 mv 6 70 38 80 0 + 4 e 221 199 etot -8.7211E+01 mv 6 70 79 120 0 + 4 e 378 186 etot -8.3015E+01 mv 6 70 38 76 0 + 4 e 354 189 etot -8.0914E+01 mv 6 70 38 186 0 + 4 e 216 170 etot -8.5228E+01 mv 6 70 174 86 0 + 4 e 345 192 etot -7.8548E+01 mv 6 70 79 19 0 + 4 e 376 141 etot -7.3872E+01 mv 6 70 200 31 0 + 4 e 430 187 etot -8.0829E+01 mv 6 70 38 117 0 + 4 e 346 195 etot -6.8883E+01 mv 6 70 79 186 0 + 4 e 234 211 etot -8.4876E+01 mv 2 70 95 -55 0 + 4 e 559 157 etot -8.4804E+01 mv 6 70 167 65 0 + 4 e 408 179 etot -7.6989E+01 mv 6 70 180 129 0 + 4 e 409 129 etot -7.4175E+01 mv 6 70 48 139 0 + 4 e 394 139 etot -8.6970E+01 mv 6 70 183 125 0 + 4 e 301 206 etot -9.0052E+01 mv 2 70 40 -47 0 + 4 e 721 171 etot -5.6742E+01 mv 6 70 180 78 0 + 4 e 206 219 etot -8.8055E+01 mv 2 70 153 -109 0 + 4 e 334 209 etot -7.0165E+01 mv 2 70 40 -172 0 + 4 e 397 201 etot -7.0718E+01 mv 2 70 33 -164 0 + 4 e 297 216 etot -8.7604E+01 mv 2 70 153 -169 0 + -1 e 1 237 etot 1.3528E+20 mv 2 70 8 -166 0 + 4 e 473 200 etot -8.7153E+01 mv 6 70 79 28 0 + 4 e 387 210 etot -8.5582E+01 mv 2 70 40 -81 0 + 4 e 427 208 etot -9.0077E+01 mv 2 70 40 -75 0 c 40 34.8 0.0 + 4 e 225 225 etot -7.1412E+01 mv 2 70 184 -14 0 + 4 e 367 217 etot -7.2201E+01 mv 2 70 153 -181 0 + 4 e 335 220 etot -8.5020E+01 mv 2 70 153 -124 0 + -1 e 1 244 etot 1.3528E+20 mv 2 70 36 -175 0 + 4 e 752 184 etot -8.5322E+01 mv 6 70 38 25 0 + 8 e 172 228 etot -6.3994E+01 mv 2 70 193 -78 0 + 4 e 505 213 etot -8.1085E+01 mv 2 70 95 -182 0 + 4 e 161 239 etot -8.8964E+01 mv 2 70 8 187 0 + 4 e 570 205 etot -7.7790E+01 mv 2 70 33 -102 0 + 4 e 245 236 etot -8.9262E+01 mv 2 70 8 -59 0 + 4 e 587 214 etot -7.6385E+01 mv 2 70 95 -5 0 + 4 e 444 221 etot -6.2680E+01 mv 2 70 184 -190 0 + 4 e 300 233 etot -8.2810E+01 mv 2 70 64 -17 0 + 4 e 361 227 etot -6.9093E+01 mv 2 70 193 -68 0 + 4 e 504 218 etot -6.9548E+01 mv 2 70 153 -54 0 + -1 e 1 256 etot 1.3528E+20 mv 2 70 88 -172 0 + 4 e 641 203 etot -7.9445E+01 mv 2 70 33 -44 0 + 4 e 290 238 etot -7.7204E+01 mv 2 70 8 183 0 + 4 e 145 245 etot -8.8215E+01 mv 2 70 36 24 0 + 4 e 323 235 etot -8.1149E+01 mv 2 70 64 91 0 + 4 e 431 226 etot -7.6441E+01 mv 2 70 193 -11 0 + 4 e 604 215 etot -8.4873E+01 mv 2 70 95 -183 0 + 4 e 262 240 etot -8.8732E+01 mv 2 70 8 181 0 + -1 e 1 264 etot 1.3528E+20 mv 2 70 48 129 0 + 4 e 658 182 etot -8.7119E+01 mv 6 70 38 12 0 + 4 e 197 248 etot -8.8115E+01 mv 2 70 1 139 0 + 4 e 288 242 etot -8.0676E+01 mv 2 70 36 14 0 + -1 e 1 268 etot 1.3528E+20 mv 2 70 183 180 0 + 4 e 650 190 etot -8.5900E+01 mv 6 70 38 5 0 c 5 33.8 0.5 + 4 e 301 243 etot -7.4184E+01 mv 2 70 36 32 0 + 4 e 476 232 etot -6.9990E+01 mv 2 70 64 -105 0 + 4 e 348 230 etot -8.2604E+01 mv 2 70 193 -188 0 + 4 e 640 223 etot -8.1232E+01 mv 2 70 184 -85 0 + 4 e 376 241 etot -8.8215E+01 mv 2 70 36 -10 0 + 4 e 381 229 etot -6.8976E+01 mv 2 70 193 -112 0 + 4 e 235 257 etot -7.3202E+01 mv 2 70 88 -142 0 + -1 e 1 277 etot 1.3528E+20 mv 2 70 167 142 0 + 4 e 314 250 etot -8.7939E+01 mv 2 70 1 68 0 + 4 e 484 222 etot -6.2726E+01 mv 2 70 184 -107 0 + 4 e 361 246 etot -7.0735E+01 mv 2 70 1 -188 0 + 4 e 280 255 etot -8.8097E+01 mv 2 70 124 149 0 + 4 e 293 251 etot -8.6456E+01 mv 2 70 124 -126 0 + 4 e 225 265 etot -8.7655E+01 mv 2 70 48 -70 0 + 4 e 578 234 etot -7.0933E+01 mv 2 70 64 133 0 + 4 e 303 254 etot -7.3406E+01 mv 2 70 124 118 0 + 4 e 301 253 etot -8.2799E+01 mv 2 70 124 74 0 + 4 e 281 263 etot -8.7655E+01 mv 2 70 48 -118 0 + 4 e 461 231 etot -7.9634E+01 mv 2 70 64 -169 0 + 4 e 367 252 etot -7.1575E+01 mv 2 70 124 -127 0 + 4 e 339 260 etot -7.6966E+01 mv 2 70 88 178 0 + 4 e 210 272 etot -6.6525E+01 mv 2 70 200 -32 0 + 4 e 323 261 etot -8.7517E+01 mv 2 70 48 -190 0 + 4 e 353 259 etot -7.6436E+01 mv 2 70 88 53 0 + 4 e 116 283 etot -8.7383E+01 mv 2 70 174 71 0 + 4 e 216 274 etot -8.7592E+01 mv 2 70 200 133 0 + 4 e 359 262 etot -8.7655E+01 mv 2 70 48 143 0 + 4 e 491 249 etot -8.7937E+01 mv 2 70 1 22 0 + 4 e 606 224 etot -8.1214E+01 mv 2 70 184 -89 0 + 4 e 350 267 etot -8.2186E+01 mv 2 70 183 29 0 + -1 e 1 300 etot 1.2111E+26 mv 2 70 79 -7 0 + 4 e 232 278 etot -8.6299E+01 mv 2 70 167 -58 0 + 4 e 181 285 etot -8.7383E+01 mv 2 70 174 77 0 + 4 e 227 270 etot -7.6150E+01 mv 2 70 183 40 0 + 4 e 486 258 etot -8.8048E+01 mv 2 70 88 183 0 + 4 e 202 287 etot -7.3043E+01 mv 2 70 180 50 0 + 4 e 215 286 etot -8.7308E+01 mv 2 70 180 148 0 + 4 e 424 269 etot -7.3083E+01 mv 2 70 183 -155 0 + 4 e 290 281 etot -7.3207E+01 mv 2 70 174 -109 0 + 4 e 189 291 etot -8.7217E+01 mv 2 70 38 88 0 + 4 e 153 298 etot -8.7211E+01 mv 2 70 79 -43 0 + 4 e 387 275 etot -8.6447E+01 mv 2 70 200 77 0 + 4 e 326 279 etot -6.5971E+01 mv 2 70 167 -153 0 + 4 e 310 284 etot -7.7285E+01 mv 2 70 174 139 0 + -1 e 1 314 etot 1.3528E+20 mv 1 70 95 -57 0 + 4 e 457 271 etot -7.1348E+01 mv 2 70 200 -187 0 + 4 e 393 266 etot -8.4981E+01 mv 2 70 183 158 0 + -1 e 1 317 etot 5.5851E+20 mv 1 70 153 -85 0 + 4 e 296 290 etot -8.2659E+01 mv 2 70 180 -59 0 + 4 e 213 289 etot -8.7308E+01 mv 2 70 180 108 0 + -1 e 1 320 etot 1.3528E+20 mv 1 70 153 -115 0 + 4 e 253 302 etot -5.7569E+01 mv 1 70 33 -156 0 + 4 e 320 280 etot -8.4357E+01 mv 2 70 167 -181 0 + 4 e 231 306 etot -9.0053E+01 mv 1 70 40 -51 0 + 4 e 250 305 etot -8.6229E+01 mv 1 70 33 -144 0 c 33 1.9 0.0 + 4 e 224 310 etot -9.0052E+01 mv 1 70 40 -80 0 + 4 e 412 294 etot -7.7686E+01 mv 2 70 38 66 0 + 4 e 417 276 etot -8.4827E+01 mv 2 70 167 -83 0 + 4 e 349 301 etot -8.4732E+01 mv 1 70 33 -154 0 + 4 e 473 288 etot -7.9535E+01 mv 2 70 180 168 0 + 4 e 206 316 etot -8.6766E+01 mv 1 70 153 -198 0 + 4 e 559 282 etot -8.2263E+01 mv 2 70 174 44 0 + 4 e 318 307 etot -7.9973E+01 mv 1 70 40 -31 0 + 4 e 445 296 etot -7.6557E+01 mv 2 70 79 -170 0 + 4 e 300 299 etot -7.1520E+01 mv 2 70 79 162 0 + -1 e 1 335 etot 1.3528E+20 mv 1 70 64 -25 0 + 4 e 447 303 etot -5.7304E+01 mv 1 70 33 -95 0 + 4 e 537 295 etot -8.1837E+01 mv 2 70 38 -136 0 + 4 e 726 247 etot -7.7082E+01 mv 2 70 1 -99 0 + 4 e 573 293 etot -8.6215E+01 mv 2 70 38 -19 0 + 4 e 370 315 etot -8.4875E+01 mv 1 70 95 -125 0 + 4 e 621 292 etot -8.7100E+01 mv 2 70 38 -4 0 + 4 e 257 318 etot -8.6924E+01 mv 1 70 153 -192 0 + 4 e 442 312 etot -8.0648E+01 mv 1 70 95 -172 0 + 4 e 247 321 etot -8.4299E+01 mv 1 70 184 -166 0 + 4 e 230 332 etot -7.3083E+01 mv 1 70 64 39 0 + 4 e 410 304 etot -6.9669E+01 mv 1 70 33 -155 0 + 4 e 362 324 etot -7.6195E+01 mv 1 70 184 -1 0 + 4 e 571 308 etot -7.9905E+01 mv 1 70 40 -86 0 + 4 e 551 309 etot -8.4453E+01 mv 1 70 40 -146 0 + 4 e 342 327 etot -7.0705E+01 mv 1 70 193 -97 0 + 4 e 185 336 etot -8.9262E+01 mv 1 70 8 -75 0 + -1 e 1 351 etot 1.3528E+20 mv 1 70 124 47 0 + 4 e 199 338 etot -7.8949E+01 mv 1 70 8 91 0 + 4 e 589 311 etot -8.0454E+01 mv 1 70 95 -105 0 + 4 e 739 297 etot -8.2112E+01 mv 2 70 79 136 0 + 4 e 212 341 etot -8.5492E+01 mv 1 70 36 -169 0 + 4 e 336 333 etot -8.2803E+01 mv 1 70 64 -112 0 + 4 e 705 273 etot -8.7590E+01 mv 2 70 200 -76 0 + 4 e 602 313 etot -7.5475E+01 mv 1 70 95 -184 0 + -1 e 1 359 etot 5.3523E+20 mv 1 70 88 -142 0 + 4 e 496 322 etot -6.7787E+01 mv 1 70 184 -95 0 + 4 e 373 330 etot -8.7206E+01 mv 1 70 193 -124 0 + 4 e 355 334 etot -8.1894E+01 mv 1 70 64 67 0 + 4 e 204 342 etot -8.7638E+01 mv 1 70 36 -106 0 + 4 e 352 323 etot -7.9919E+01 mv 1 70 184 -97 0 + 4 e 598 319 etot -8.0032E+01 mv 1 70 153 -102 0 + 4 e 231 339 etot -6.2894E+01 mv 1 70 8 -106 0 + 4 e 369 337 etot -8.7898E+01 mv 1 70 8 -3 0 + -1 e 1 369 etot 1.3528E+20 mv 1 70 183 74 0 + 4 e 468 331 etot -8.2809E+01 mv 1 70 64 -191 0 + 4 e 520 329 etot -8.0073E+01 mv 1 70 193 -196 0 + 4 e 308 344 etot -8.8215E+01 mv 1 70 36 -27 0 + 4 e 377 340 etot -7.7832E+01 mv 1 70 8 -30 0 + 4 e 276 346 etot -8.8115E+01 mv 1 70 1 144 0 + 4 e 568 326 etot -8.6343E+01 mv 1 70 193 -186 0 + -1 e 1 376 etot 1.3528E+20 mv 1 70 167 95 0 + 4 e 627 325 etot -7.3945E+01 mv 1 70 184 -199 0 + 4 e 219 353 etot -8.8025E+01 mv 1 70 124 64 0 + 4 e 256 349 etot -8.8115E+01 mv 1 70 1 2 0 + 4 e 170 363 etot -8.7656E+01 mv 1 70 48 193 0 + -1 e 1 381 etot 1.4732E+29 mv 1 70 174 -23 0 + 4 e 262 343 etot -7.9911E+01 mv 1 70 36 -114 0 + 4 e 322 348 etot -8.8115E+01 mv 1 70 1 32 0 + 4 e 335 350 etot -8.5131E+01 mv 1 70 1 -105 0 + 4 e 277 357 etot -8.7652E+01 mv 1 70 88 30 0 + 4 e 258 365 etot -8.7655E+01 mv 1 70 48 59 0 + 4 e 240 352 etot -7.7950E+01 mv 1 70 124 44 0 + 4 e 313 358 etot -8.7356E+01 mv 1 70 88 64 0 + -1 e 1 389 etot 1.3528E+20 mv 1 70 180 154 0 + 4 e 308 360 etot -7.6966E+01 mv 1 70 88 104 0 + 4 e 301 362 etot -8.2143E+01 mv 1 70 48 -89 0 + 4 e 241 367 etot -6.7004E+01 mv 1 70 183 -162 0 + 4 e 298 347 etot -8.1668E+01 mv 1 70 1 -148 0 + 4 e 160 368 etot -8.7603E+01 mv 1 70 183 -109 0 + 4 e 491 328 etot -7.1463E+01 mv 1 70 193 -184 0 + 4 e 362 356 etot -8.8050E+01 mv 1 70 88 -39 0 + 4 e 367 355 etot -7.5685E+01 mv 1 70 124 -46 0 + 4 e 201 366 etot -8.5414E+01 mv 1 70 183 -126 0 + 4 e 401 354 etot -8.4054E+01 mv 1 70 124 -154 0 + 4 e 215 378 etot -8.8147E+01 mv 1 70 167 61 0 + 4 e 254 373 etot -8.7592E+01 mv 1 70 200 33 0 + 4 e 258 375 etot -8.7223E+01 mv 1 70 200 -83 0 + 4 e 319 370 etot -8.7601E+01 mv 1 70 183 158 0 + 4 e 178 385 etot -8.5228E+01 mv 1 70 174 82 0 + 4 e 270 382 etot -8.1451E+01 mv 1 70 174 43 0 + 4 e 290 380 etot -8.0184E+01 mv 1 70 167 81 0 + 4 e 102 401 etot -8.6229E+01 mv 0 70 33 0 0 c 33 0.5 0.0 + 4 e 328 374 etot -7.2344E+01 mv 1 70 200 -19 0 + 4 e 84 402 etot -9.0053E+01 mv 0 70 40 0 0 + 4 e 2 409 etot -8.8216E+01 mv 0 70 36 0 0 + 4 e 2 410 etot -8.8115E+01 mv 0 70 1 0 0 + 4 e 2 411 etot -8.8097E+01 mv 0 70 124 0 0 + 4 e 10 408 etot -8.9262E+01 mv 0 70 8 0 0 c 8 0.0 0.0 + 4 e 2 414 etot -8.7603E+01 mv 0 70 183 0 0 + 4 e 445 345 etot -8.7457E+01 mv 1 70 36 -130 0 + 4 e 10 415 etot -8.7592E+01 mv 0 70 200 0 0 c 200 0.0 0.0 + 4 e 41 407 etot -8.2811E+01 mv 0 70 64 0 0 c 64 0.1 0.0 + 4 e 497 364 etot -8.7654E+01 mv 1 70 48 -107 0 + 4 e 346 377 etot -8.8144E+01 mv 1 70 167 40 0 +## N0 total= 21 close= 13 far= 0 %acc 61.9 +## N1 total= 99 close= 1 far= 0 %acc 1.0 +## N2 total= 100 close= 1 far= 0 %acc 1.0 +## N3 total= 0 close= 0 far= 0 %acc 0.0 +## N4 total= 0 close= 0 far= 0 %acc 0.0 +## N5 total= 0 close= 0 far= 0 %acc 0.0 +## N6 total= 200 close= 10 far= 1 %acc 5.5 +## N7 total= 0 close= 0 far= 0 %acc 0.0 +## N8 total= 0 close= 0 far= 0 %acc 0.0 +## N9 total= 0 close= 0 far= 0 %acc 0.0 +##N10 total= 0 close= 0 far= 0 %acc 0.0 +##N11 total= 0 close= 0 far= 0 %acc 0.0 +##N12 total= 0 close= 0 far= 0 %acc 0.0 +##N13 total= 0 close= 0 far= 0 %acc 0.0 +##N14 total= 0 close= 0 far= 0 %acc 0.0 +##N15 total= 0 close= 0 far= 0 %acc 0.0 +##N16 total= 0 close= 0 far= 0 %acc 0.0 +##N17 total= 0 close= 0 far= 0 %acc 0.0 +##N18 total= 0 close= 0 far= 0 %acc 0.0 + Time for refresh 71 0.26 + make_var : nseed= 20 ntry= 420 + Time for make trial 72 0.06 +Nonsetup time 141.32 sec, Eval/s = 64552.13 +Time for iter 72 1.76 sec, Eval/s = 69413.55 + UPDATING 420 + 4 e 509 391 etot -8.7215E+01 mv 1 70 38 -90 0 + 4 e 684 387 etot -7.8085E+01 mv 1 70 180 -120 0 + 4 e 53 412 etot -8.8050E+01 mv 0 70 88 0 0 c 88 0.1 0.0 + 4 e 133 403 etot -8.4876E+01 mv 0 70 95 0 0 + 4 e 10 417 etot -8.7384E+01 mv 0 70 174 0 0 + 4 e 245 392 etot -8.0593E+01 mv 1 70 38 -21 0 + 4 e 12 418 etot -8.7309E+01 mv 0 70 180 0 0 c 180 0.0 0.0 + 4 e 423 397 etot -8.6611E+01 mv 1 70 79 147 0 + 4 e 33 420 etot -8.7212E+01 mv 0 70 79 0 0 + 4 e 281 393 etot -8.7114E+01 mv 1 70 38 121 0 + 4 e 90 404 etot -8.8055E+01 mv 0 70 153 0 0 c 153 0.9 0.0 + 4 e 102 405 etot -8.4299E+01 mv 0 70 184 0 0 c 184 0.5 0.0 + 4 e 240 390 etot -8.7308E+01 mv 1 70 180 149 0 + 4 e 502 371 etot -8.7590E+01 mv 1 70 200 39 0 + 4 e 60 413 etot -8.7656E+01 mv 0 70 48 0 0 + 4 e 104 406 etot -8.7207E+01 mv 0 70 193 0 0 + 4 e 470 384 etot -7.3846E+01 mv 1 70 174 169 0 + 4 e 151 400 etot -8.7211E+01 mv 1 70 79 3 0 + 4 e 530 372 etot -8.0491E+01 mv 1 70 200 189 0 + 4 e 2 419 etot -8.7217E+01 mv 0 70 38 0 0 + 4 e 286 386 etot -8.7279E+01 mv 1 70 180 -9 0 + 4 e 403 379 etot -8.3059E+01 mv 1 70 167 79 0 + 4 e 245 398 etot -8.7211E+01 mv 1 70 79 78 0 + 4 e 335 388 etot -7.8616E+01 mv 1 70 180 -156 0 + 4 e 25 416 etot -8.8147E+01 mv 0 70 167 0 0 c 167 0.1 0.0 + 4 e 393 361 etot -7.8223E+01 mv 1 70 48 -52 0 + 4 e 472 399 etot -8.0868E+01 mv 1 70 79 -133 0 + 4 e 229 383 etot -8.6924E+01 mv 1 70 174 -32 0 + -1 e 1 19 etot 1.3528E+20 mv 6 71 40 97 0 + 4 e 267 395 etot -6.9097E+01 mv 1 70 38 -56 0 + -1 e 1 21 etot 1.3528E+20 mv 6 71 48 127 0 + -1 e 1 23 etot 1.3528E+20 mv 6 71 48 90 0 + 4 e 234 396 etot -7.9166E+01 mv 1 70 79 -68 0 + -1 e 1 24 etot 1.3528E+20 mv 6 71 48 13 0 + 4 e 223 394 etot -8.7121E+01 mv 1 70 38 124 0 + -1 e 1 27 etot 1.3528E+20 mv 6 71 48 36 0 + -1 e 1 8 etot 1.3528E+20 mv 6 71 5 181 0 + -1 e 1 15 etot 1.3528E+20 mv 6 71 40 143 0 + 4 e 112 2 etot -8.3626E+01 mv 6 71 5 175 0 c 175 0.9 0.0 + 4 e 177 36 etot -7.1026E+01 mv 6 71 95 7 0 + 4 e 190 31 etot -6.7030E+01 mv 6 71 95 21 0 + 4 e 213 9 etot -8.5901E+01 mv 6 71 5 186 0 c 5 2.3 0.0 + 4 e 239 35 etot -8.5229E+01 mv 6 71 95 47 0 c 95 3.8 0.0 + 4 e 240 6 etot -8.4410E+01 mv 6 71 5 40 0 + 4 e 255 12 etot -7.4376E+01 mv 6 71 40 17 0 + 4 e 263 16 etot -8.0134E+01 mv 6 71 40 87 0 + 4 e 259 10 etot -8.5901E+01 mv 6 71 5 88 0 + 4 e 271 14 etot -9.2302E+01 mv 6 71 40 170 0 + 4 e 311 7 etot -8.6875E+01 mv 6 71 5 51 0 + 4 e 333 4 etot -7.4275E+01 mv 6 71 5 88 0 + 4 e 335 1 etot -8.5883E+01 mv 6 71 5 194 0 + 4 e 324 18 etot -8.5045E+01 mv 6 71 40 28 0 + 4 e 349 13 etot -7.5320E+01 mv 6 71 40 22 0 + 4 e 385 5 etot -8.5900E+01 mv 6 71 5 192 0 + 4 e 342 20 etot -9.0051E+01 mv 6 71 40 80 0 + 4 e 359 34 etot -8.3898E+01 mv 6 71 95 101 0 + 4 e 349 25 etot -8.0110E+01 mv 6 71 48 95 0 + 4 e 160 42 etot -7.4032E+01 mv 6 71 177 103 0 + 4 e 414 17 etot -6.6435E+01 mv 6 71 40 99 0 + 4 e 389 3 etot -8.9908E+01 mv 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409 etot -8.8359E+01 mv 0 71 139 0 0 + 4 e 2 410 etot -8.8216E+01 mv 0 71 36 0 0 + 4 e 2 412 etot -8.7603E+01 mv 0 71 183 0 0 + 4 e 573 359 etot -8.2215E+01 mv 1 71 183 -197 0 + 4 e 473 364 etot -7.5923E+01 mv 1 71 167 -68 0 + 4 e 2 414 etot -8.7592E+01 mv 0 71 200 0 0 + 4 e 429 369 etot -8.6853E+01 mv 1 71 200 154 0 + 4 e 16 411 etot -8.8207E+01 mv 0 71 101 0 0 c 101 0.0 0.0 + 4 e 2 415 etot -8.8115E+01 mv 0 71 1 0 0 + 4 e 2 416 etot -8.7384E+01 mv 0 71 174 0 0 +## N0 total= 19 close= 7 far= 0 %acc 36.8 +## N1 total= 101 close= 2 far= 1 %acc 3.0 +## N2 total= 100 close= 5 far= 0 %acc 5.0 +## N3 total= 0 close= 0 far= 0 %acc 0.0 +## N4 total= 0 close= 0 far= 0 %acc 0.0 +## N5 total= 0 close= 0 far= 0 %acc 0.0 +## N6 total= 200 close= 9 far= 1 %acc 5.0 +## N7 total= 0 close= 0 far= 0 %acc 0.0 +## N8 total= 0 close= 0 far= 0 %acc 0.0 +## N9 total= 0 close= 0 far= 0 %acc 0.0 +##N10 total= 0 close= 0 far= 0 %acc 0.0 +##N11 total= 0 close= 0 far= 0 %acc 0.0 +##N12 total= 0 close= 0 far= 0 %acc 0.0 +##N13 total= 0 close= 0 far= 0 %acc 0.0 +##N14 total= 0 close= 0 far= 0 %acc 0.0 +##N15 total= 0 close= 0 far= 0 %acc 0.0 +##N16 total= 0 close= 0 far= 0 %acc 0.0 +##N17 total= 0 close= 0 far= 0 %acc 0.0 +##N18 total= 0 close= 0 far= 0 %acc 0.0 + Time for refresh 72 0.44 + make_var : nseed= 20 ntry= 420 + Time for make trial 73 0.09 +Nonsetup time 143.29 sec, Eval/s = 64519.84 +Time for iter 73 1.96 sec, Eval/s = 62197.82 + UPDATING 420 + 4 e 431 397 etot -7.9146E+01 mv 1 71 161 -170 0 + 4 e 488 396 etot -8.5956E+01 mv 1 71 161 102 0 + 4 e 394 392 etot -6.8383E+01 mv 1 71 124 -184 0 + 4 e 140 407 etot -8.7700E+01 mv 0 71 48 0 0 + 4 e 140 403 etot -8.7700E+01 mv 0 71 48 0 0 + 4 e 456 373 etot -7.4801E+01 mv 1 71 1 -50 0 + 4 e 762 360 etot -8.3999E+01 mv 1 71 183 -132 0 + 4 e 2 419 etot -8.8097E+01 mv 0 71 124 0 0 + -1 e 1 1 etot 1.3528E+20 mv 6 72 40 167 0 + 4 e 169 404 etot -8.5229E+01 mv 0 71 95 0 0 c 95 1.4 0.0 + 4 e 548 367 etot -7.7455E+01 mv 1 71 200 -151 0 + 4 e 634 382 etot -8.1086E+01 mv 1 71 38 -151 0 + -1 e 1 4 etot 1.3528E+20 mv 6 72 40 159 0 + 4 e 490 394 etot -8.6997E+01 mv 1 71 124 -84 0 + 4 e 129 402 etot -9.0079E+01 mv 0 71 40 0 0 + 4 e 51 418 etot -8.7212E+01 mv 0 71 79 0 0 c 81 20.1 1.3 + 4 e 28 420 etot -8.9075E+01 mv 0 71 161 0 0 c 161 0.1 0.0 + 4 e 349 386 etot -8.5953E+01 mv 1 71 79 -159 0 + 4 e 400 376 etot -7.4997E+01 mv 1 71 174 160 0 + -1 e 1 11 etot 1.3903E+21 mv 6 72 64 191 0 + 4 e 25 413 etot -8.8147E+01 mv 0 71 167 0 0 + 4 e 338 399 etot -7.4323E+01 mv 1 71 161 169 0 + 4 e 2 417 etot -8.7217E+01 mv 0 71 38 0 0 + 4 e 244 405 etot -8.4358E+01 mv 0 71 177 0 0 c 177 5.3 0.0 + 4 e 443 374 etot -6.9661E+01 mv 1 71 1 -168 0 + 4 e 269 391 etot -8.8097E+01 mv 1 71 124 -141 0 + -1 e 1 17 etot 1.3528E+20 mv 6 72 64 36 0 + 4 e 168 406 etot -8.7359E+01 mv 0 71 193 0 0 + 4 e 251 398 etot -8.9074E+01 mv 1 71 161 41 0 + 4 e 295 388 etot -8.6135E+01 mv 1 71 79 -31 0 + 4 e 129 401 etot -8.5901E+01 mv 0 71 5 0 0 + 4 e 148 395 etot -8.8097E+01 mv 1 71 124 35 0 + 4 e 174 400 etot -8.9075E+01 mv 1 71 161 95 0 c 161 0.7 0.0 + 4 e 232 380 etot -8.7383E+01 mv 1 71 174 117 0 + 4 e 273 384 etot -5.9694E+01 mv 1 71 38 -180 0 + -1 e 1 30 etot 1.3528E+20 mv 6 72 79 28 0 + -1 e 1 35 etot 1.3528E+20 mv 6 72 81 48 0 + 8 e 31 25 etot -6.3988E+01 mv 6 72 79 118 0 + 4 e 231 7 etot -7.1520E+01 mv 6 72 40 182 0 + 4 e 212 34 etot -8.5570E+01 mv 6 72 81 138 0 + 4 e 209 2 etot -9.0298E+01 mv 6 72 40 150 0 + 4 e 208 18 etot -8.4922E+01 mv 6 72 64 102 0 + -1 e 1 41 etot 1.3528E+20 mv 6 72 162 96 0 + 4 e 226 19 etot -7.2385E+01 mv 6 72 64 100 0 + 4 e 218 23 etot -8.8134E+01 mv 6 72 79 67 0 + 4 e 236 12 etot -8.3234E+01 mv 6 72 64 143 0 + -1 e 1 45 etot 1.3528E+20 mv 6 72 162 110 0 + 4 e 262 5 etot -9.0052E+01 mv 6 72 40 32 0 + 4 e 246 8 etot -9.0052E+01 mv 6 72 40 122 0 + 4 e 244 26 etot -8.1374E+01 mv 6 72 79 189 0 + 4 e 259 16 etot -7.7822E+01 mv 6 72 64 165 0 + 4 e 217 38 etot -8.5867E+01 mv 6 72 81 173 0 + 4 e 243 3 etot -8.5657E+01 mv 6 72 40 27 0 + 4 e 275 21 etot -8.9605E+01 mv 6 72 79 95 0 c 79 59.5 1.5 + 4 e 260 36 etot -8.6445E+01 mv 6 72 81 86 0 + -1 e 1 55 etot 6.9192E+28 mv 6 72 187 33 0 + 4 e 384 6 etot -8.6350E+01 mv 6 72 40 112 0 + 4 e 412 13 etot -8.7826E+01 mv 6 72 64 48 0 + 4 e 339 15 etot -8.5189E+01 mv 6 72 64 138 0 c 64 243.3 1.6 + 4 e 332 22 etot -8.4642E+01 mv 6 72 79 30 0 + 4 e 365 32 etot -8.0443E+01 mv 6 72 81 164 0 + 4 e 337 29 etot -8.0187E+01 mv 6 72 79 36 0 + 4 e 128 50 etot -6.5893E+01 mv 6 72 162 175 0 + 4 e 152 40 etot -8.5867E+01 mv 6 72 81 133 0 + 4 e 402 10 etot -8.3051E+01 mv 6 72 40 23 0 + 4 e 415 24 etot -8.4392E+01 mv 6 72 79 89 0 + 4 e 408 14 etot -8.0370E+01 mv 6 72 64 169 0 + -1 e 1 66 etot 1.3528E+20 mv 6 72 193 131 0 + 4 e 169 49 etot -8.5924E+01 mv 6 72 162 85 0 + 4 e 58 61 etot -8.4472E+01 mv 6 72 193 15 0 c 15 0.4 0.0 + -1 e 1 70 etot 1.3528E+20 mv 6 72 193 14 0 + 4 e 388 28 etot -8.8133E+01 mv 6 72 79 152 0 + 8 e 17 68 etot -6.3994E+01 mv 6 72 193 36 0 + 4 e 409 20 etot -7.9672E+01 mv 6 72 64 98 0 + 4 e 403 31 etot -8.5570E+01 mv 6 72 81 59 0 + 4 e 352 48 etot -8.0037E+01 mv 6 72 162 38 0 + 4 e 460 9 etot -7.8150E+01 mv 6 72 40 165 0 + 4 e 473 27 etot -8.0450E+01 mv 6 72 79 80 0 + 4 e 481 33 etot -7.3764E+01 mv 6 72 81 70 0 + 4 e 248 47 etot -8.1957E+01 mv 6 72 162 34 0 + 4 e 516 37 etot -8.0133E+01 mv 6 72 81 66 0 + 4 e 439 39 etot -8.0246E+01 mv 6 72 81 193 0 + 4 e 310 57 etot -7.1819E+01 mv 6 72 187 73 0 + 4 e 307 53 etot -8.4603E+01 mv 6 72 187 36 0 + 4 e 344 58 etot -8.3095E+01 mv 6 72 187 117 0 c 187 32.2 0.1 + 4 e 447 42 etot -8.3716E+01 mv 6 72 162 59 0 + 4 e 332 60 etot -7.7997E+01 mv 6 72 187 67 0 + 4 e 166 69 etot -7.5607E+01 mv 6 72 193 187 0 + 4 e 337 52 etot -8.1190E+01 mv 6 72 187 5 0 + -1 e 1 89 etot 1.4027E+23 mv 6 72 24 12 0 + 4 e 142 75 etot -8.6689E+01 mv 6 72 128 46 0 + -1 e 1 91 etot 1.3528E+20 mv 6 72 139 97 0 + 4 e 202 71 etot -8.7131E+01 mv 6 72 128 56 0 + 4 e 223 77 etot -8.0510E+01 mv 6 72 128 134 0 + 4 e 254 76 etot -8.6118E+01 mv 6 72 128 155 0 + 4 e 427 46 etot -8.3748E+01 mv 6 72 162 200 0 + 4 e 585 44 etot -8.2671E+01 mv 6 72 162 71 0 + 4 e 225 82 etot -7.1577E+01 mv 6 72 24 70 0 + 4 e 377 59 etot -7.9590E+01 mv 6 72 187 144 0 + 4 e 348 56 etot -8.7590E+01 mv 6 72 187 182 0 + 4 e 309 64 etot -8.6030E+01 mv 6 72 193 57 0 + -1 e 1 100 etot 1.3528E+20 mv 6 72 139 199 0 + 4 e 176 81 etot -8.9617E+01 mv 6 72 24 167 0 + 4 e 533 43 etot -8.3741E+01 mv 6 72 162 190 0 + 4 e 353 63 etot -8.8038E+01 mv 6 72 193 179 0 + 4 e 241 78 etot -7.8537E+01 mv 6 72 128 151 0 + 4 e 294 73 etot -8.6713E+01 mv 6 72 128 147 0 + 4 e 240 72 etot -7.8687E+01 mv 6 72 128 85 0 + 4 e 270 83 etot -8.8917E+01 mv 6 72 24 108 0 + 4 e 604 54 etot -8.5046E+01 mv 6 72 187 149 0 + 4 e 297 74 etot -8.6545E+01 mv 6 72 128 140 0 + 4 e 550 51 etot -7.8206E+01 mv 6 72 187 121 0 + 4 e 410 67 etot -7.7737E+01 mv 6 72 193 47 0 + 4 e 295 79 etot -8.6118E+01 mv 6 72 128 62 0 + 4 e 437 65 etot -8.9292E+01 mv 6 72 193 4 0 + 4 e 394 80 etot -8.1254E+01 mv 6 72 128 74 0 + 4 e 226 94 etot -8.0906E+01 mv 6 72 139 178 0 + 4 e 216 96 etot -8.5913E+01 mv 6 72 139 100 0 + 4 e 360 84 etot -8.2498E+01 mv 6 72 24 93 0 + 4 e 235 97 etot -8.8359E+01 mv 6 72 139 124 0 + 4 e 247 98 etot -8.7960E+01 mv 6 72 139 93 0 + 4 e 402 85 etot -7.5185E+01 mv 6 72 24 59 0 + 4 e 282 99 etot -8.8358E+01 mv 6 72 139 187 0 + -1 e 1 123 etot 1.3528E+20 mv 6 72 48 171 0 + 4 e 435 86 etot -8.4381E+01 mv 6 72 24 70 0 + 4 e 225 110 etot -8.6996E+01 mv 6 72 36 135 0 + 4 e 252 93 etot -8.7959E+01 mv 6 72 139 108 0 + 4 e 334 95 etot -7.3976E+01 mv 6 72 139 38 0 + 8 e 21 124 etot -6.3998E+01 mv 6 72 48 108 0 + 4 e 303 107 etot -8.7445E+01 mv 6 72 36 158 0 + 4 e 233 113 etot -8.7878E+01 mv 6 72 1 153 0 + 4 e 2 131 etot -8.7217E+01 mv 6 72 183 38 0 + 4 e 510 62 etot -8.0778E+01 mv 6 72 193 52 0 + 4 e 302 109 etot -8.9604E+01 mv 6 72 36 79 0 + 4 e 455 88 etot -8.2013E+01 mv 6 72 24 195 0 + 4 e 294 112 etot -8.4463E+01 mv 6 72 1 53 0 + 4 e 208 117 etot -7.4674E+01 mv 6 72 1 101 0 + 4 e 273 101 etot -7.8522E+01 mv 6 72 36 84 0 + 4 e 541 87 etot -7.2982E+01 mv 6 72 24 68 0 + -1 e 1 139 etot 1.3528E+20 mv 6 72 183 8 0 + 4 e 280 115 etot -8.8115E+01 mv 6 72 1 91 0 + 4 e 235 118 etot -7.8033E+01 mv 6 72 1 105 0 + 4 e 232 120 etot -8.8115E+01 mv 6 72 1 69 0 + 4 e 213 121 etot -8.7700E+01 mv 6 72 48 141 0 + 4 e 254 108 etot -8.8215E+01 mv 6 72 36 93 0 + 4 e 311 116 etot -7.5296E+01 mv 6 72 1 153 0 + 4 e 448 104 etot -7.8106E+01 mv 6 72 36 164 0 + 4 e 292 119 etot -7.9610E+01 mv 6 72 1 168 0 + 4 e 243 114 etot -8.3770E+01 mv 6 72 1 49 0 + 4 e 118 136 etot -7.8409E+01 mv 6 72 183 162 0 + 4 e 469 106 etot -8.4177E+01 mv 6 72 36 154 0 + -1 e 1 149 etot 1.3528E+20 mv 6 72 174 15 0 + -1 e 1 150 etot 1.3528E+20 mv 6 72 174 55 0 + 4 e 249 122 etot -7.6676E+01 mv 6 72 48 188 0 + 4 e 226 125 etot -8.7400E+01 mv 6 72 48 89 0 + 4 e 630 90 etot -7.9606E+01 mv 6 72 24 47 0 + 4 e 339 102 etot -7.5322E+01 mv 6 72 36 114 0 + 4 e 407 92 etot -7.9410E+01 mv 6 72 139 38 0 + 4 e 121 142 etot -8.5919E+01 mv 6 72 174 9 0 + 4 e 266 128 etot -8.7518E+01 mv 6 72 48 136 0 + 4 e 507 111 etot -7.9203E+01 mv 6 72 1 90 0 + 4 e 179 140 etot -7.0121E+01 mv 6 72 183 8 0 + 4 e 200 135 etot -8.3328E+01 mv 6 72 183 50 0 + 4 e 573 105 etot -7.6826E+01 mv 6 72 36 77 0 + 4 e 272 132 etot -8.7389E+01 mv 6 72 183 117 0 + 4 e 226 127 etot -8.7699E+01 mv 6 72 48 84 0 + -1 e 1 165 etot 1.3528E+20 mv 6 72 47 28 0 + -1 e 1 167 etot 1.3528E+20 mv 6 72 47 191 0 + 4 e 194 144 etot -8.7383E+01 mv 6 72 174 49 0 + 4 e 209 143 etot -8.4446E+01 mv 6 72 174 141 0 + 4 e 342 130 etot -7.5820E+01 mv 6 72 48 107 0 + 4 e 462 103 etot -7.1185E+01 mv 6 72 36 195 0 + 4 e 223 154 etot -8.1033E+01 mv 6 72 38 84 0 + 4 e 339 141 etot -8.0246E+01 mv 6 72 174 88 0 + 4 e 252 138 etot -8.7603E+01 mv 6 72 183 64 0 + 4 e 282 151 etot -8.1785E+01 mv 6 72 38 181 0 + 4 e 163 168 etot -8.6948E+01 mv 6 72 47 164 0 + 4 e 263 155 etot -8.7216E+01 mv 6 72 38 14 0 + 4 e 265 133 etot -8.7602E+01 mv 6 72 183 55 0 + 4 e 226 164 etot -7.3157E+01 mv 6 72 47 161 0 + 4 e 149 171 etot -8.5343E+01 mv 6 72 51 55 0 + 4 e 372 146 etot -8.1295E+01 mv 6 72 174 63 0 + 4 e 353 153 etot -7.2366E+01 mv 6 72 38 42 0 + 4 e 218 147 etot -8.4141E+01 mv 6 72 174 176 0 + 4 e 285 160 etot -7.9386E+01 mv 6 72 38 20 0 + 4 e 209 169 etot -7.1659E+01 mv 6 72 47 114 0 + 4 e 291 163 etot -8.7266E+01 mv 6 72 47 98 0 c 47 217.1 0.3 + 4 e 581 126 etot -8.1035E+01 mv 6 72 48 80 0 + 4 e 253 148 etot -6.9244E+01 mv 6 72 174 144 0 + 4 e 214 157 etot -8.8289E+01 mv 6 72 38 173 0 + 4 e 526 134 etot -8.2933E+01 mv 6 72 183 59 0 + 4 e 174 173 etot -8.2355E+01 mv 6 72 51 141 0 + 4 e 602 129 etot -8.1242E+01 mv 6 72 48 160 0 + 4 e 385 162 etot -7.5566E+01 mv 6 72 47 176 0 + 4 e 440 156 etot -8.7215E+01 mv 6 72 38 127 0 + 4 e 319 145 etot -7.7749E+01 mv 6 72 174 63 0 + 4 e 152 181 etot -6.3299E+01 mv 6 72 161 2 0 + 4 e 200 178 etot -8.0568E+01 mv 6 72 51 179 0 + 4 e 217 172 etot -7.0393E+01 mv 6 72 51 177 0 + 4 e 463 159 etot -8.7101E+01 mv 6 72 38 82 0 + 4 e 270 174 etot -7.9560E+01 mv 6 72 51 64 0 + 4 e 199 183 etot -8.9075E+01 mv 6 72 161 90 0 + 4 e 185 189 etot -8.6830E+01 mv 6 72 161 39 0 + 4 e 522 161 etot -7.6951E+01 mv 6 72 47 113 0 + 4 e 306 180 etot -8.6876E+01 mv 6 72 51 170 0 + 4 e 269 186 etot -7.9772E+01 mv 6 72 161 166 0 + 4 e 349 177 etot -8.6875E+01 mv 6 72 51 69 0 + 4 e 247 192 etot -8.2672E+01 mv 6 72 122 80 0 + 4 e 378 176 etot -8.6876E+01 mv 6 72 51 108 0 + 4 e 523 170 etot -8.2363E+01 mv 6 72 47 19 0 + -1 e 1 210 etot 1.3528E+20 mv 2 72 64 -175 0 + 4 e 472 152 etot -7.2186E+01 mv 6 72 38 80 0 + 4 e 145 202 etot -6.0698E+01 mv 2 72 40 -88 0 + 4 e 316 187 etot -8.9074E+01 mv 6 72 161 113 0 + -1 e 1 214 etot 1.3528E+20 mv 2 72 79 -94 0 + 4 e 373 182 etot -7.7416E+01 mv 6 72 161 98 0 + 4 e 422 158 etot -7.8423E+01 mv 6 72 38 154 0 + 4 e 373 185 etot -8.8687E+01 mv 6 72 161 151 0 + 4 e 216 200 etot -8.5952E+01 mv 6 72 122 100 0 + 4 e 363 188 etot -7.8204E+01 mv 6 72 161 76 0 + -1 e 1 219 etot 1.3528E+20 mv 2 72 81 -62 0 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347 etot -8.0795E+01 mv 1 72 139 86 0 + 4 e 357 343 etot -8.9624E+01 mv 1 72 24 -126 0 + 4 e 267 362 etot -7.0331E+01 mv 1 72 48 -138 0 + 4 e 156 373 etot -8.7383E+01 mv 1 72 174 9 0 + 4 e 504 326 etot -7.3528E+01 mv 1 72 187 -145 0 + 4 e 129 377 etot -7.0396E+01 mv 1 72 38 -145 0 + 4 e 278 367 etot -7.6120E+01 mv 1 72 183 -171 0 + 4 e 257 370 etot -8.7603E+01 mv 1 72 183 165 0 + -1 e 1 392 etot 1.3528E+20 mv 1 72 161 -103 0 + -1 e 1 393 etot 1.3528E+20 mv 1 72 161 -29 0 + 4 e 162 378 etot -8.7217E+01 mv 1 72 38 -87 0 + 4 e 552 349 etot -7.9694E+01 mv 1 72 139 9 0 + 4 e 129 385 etot -7.0014E+01 mv 1 72 47 -181 0 + 4 e 296 369 etot -8.5256E+01 mv 1 72 183 -193 0 + 4 e 512 353 etot -7.2943E+01 mv 1 72 36 -66 0 + 4 e 251 375 etot -7.3463E+01 mv 1 72 174 -19 0 + 4 e 328 368 etot -8.5429E+01 mv 1 72 183 26 0 + 4 e 252 374 etot -8.7326E+01 mv 1 72 174 -72 0 + 4 e 454 361 etot -8.7697E+01 mv 1 72 48 -154 0 + 4 e 479 359 etot -8.8113E+01 mv 1 72 1 -91 0 + 4 e 618 323 etot -7.6987E+01 mv 1 72 162 -88 0 + 4 e 314 364 etot -8.6643E+01 mv 1 72 48 170 0 + 4 e 669 350 etot -7.8713E+01 mv 1 72 139 -161 0 + 4 e 253 387 etot -6.6706E+01 mv 1 72 51 104 0 + 4 e 89 404 etot -8.5867E+01 mv 0 72 81 0 0 + 4 e 589 333 etot -8.3162E+01 mv 1 72 193 -54 0 + 4 e 337 376 etot -8.7216E+01 mv 1 72 38 -21 0 + 4 e 2 410 etot -8.8359E+01 mv 0 72 139 0 0 + 4 e 116 402 etot -8.3618E+01 mv 0 72 64 0 0 + 4 e 2 411 etot -8.8216E+01 mv 0 72 36 0 0 + 4 e 102 403 etot -8.8134E+01 mv 0 72 79 0 0 + 4 e 276 383 etot -7.8532E+01 mv 1 72 47 138 0 + 4 e 11 409 etot -9.0761E+01 mv 0 72 24 0 0 c 24 0.0 0.0 + 4 e 2 414 etot -8.7603E+01 mv 0 72 183 0 0 + 4 e 2 412 etot -8.8115E+01 mv 0 72 1 0 0 + 4 e 12 408 etot -8.6119E+01 mv 0 72 128 0 0 c 128 0.0 0.0 +## N0 total= 21 close= 6 far= 0 %acc 28.6 +## N1 total= 99 close= 4 far= 0 %acc 4.0 +## N2 total= 100 close= 3 far= 1 %acc 4.0 +## N3 total= 0 close= 0 far= 0 %acc 0.0 +## N4 total= 0 close= 0 far= 0 %acc 0.0 +## N5 total= 0 close= 0 far= 0 %acc 0.0 +## N6 total= 200 close= 5 far= 0 %acc 2.5 +## N7 total= 0 close= 0 far= 0 %acc 0.0 +## N8 total= 0 close= 0 far= 0 %acc 0.0 +## N9 total= 0 close= 0 far= 0 %acc 0.0 +##N10 total= 0 close= 0 far= 0 %acc 0.0 +##N11 total= 0 close= 0 far= 0 %acc 0.0 +##N12 total= 0 close= 0 far= 0 %acc 0.0 +##N13 total= 0 close= 0 far= 0 %acc 0.0 +##N14 total= 0 close= 0 far= 0 %acc 0.0 +##N15 total= 0 close= 0 far= 0 %acc 0.0 +##N16 total= 0 close= 0 far= 0 %acc 0.0 +##N17 total= 0 close= 0 far= 0 %acc 0.0 +##N18 total= 0 close= 0 far= 0 %acc 0.0 + Time for refresh 73 0.32 + make_var : nseed= 20 ntry= 420 + Time for make trial 74 0.07 +Nonsetup time 145.07 sec, Eval/s = 64523.20 +Time for iter 74 1.79 sec, Eval/s = 64792.03 + UPDATING 420 + 4 e 57 413 etot -8.7700E+01 mv 0 72 48 0 0 c 48 0.1 0.0 + 4 e 389 399 etot -7.6338E+01 mv 1 72 122 -54 0 + 4 e 259 388 etot -8.6675E+01 mv 1 72 51 124 0 + 4 e 585 397 etot -8.7957E+01 mv 1 72 122 5 0 + 4 e 20 420 etot -8.8104E+01 mv 0 72 122 0 0 c 122 0.0 0.0 + 4 e 14 418 etot 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51 -53 0 + 4 e 28 419 etot -8.9075E+01 mv 0 72 161 0 0 + 4 e 254 389 etot -8.6876E+01 mv 1 72 51 124 0 + 4 e 495 372 etot -8.5634E+01 mv 1 72 174 -137 0 + -1 e 1 22 etot 1.3528E+20 mv 6 73 79 55 0 + 4 e 500 371 etot -7.6319E+01 mv 1 72 174 2 0 + 4 e 124 405 etot -8.7120E+01 mv 0 72 162 0 0 c 162 0.5 0.0 + 4 e 675 365 etot -8.1077E+01 mv 1 72 48 147 0 + -1 e 1 27 etot 1.3528E+20 mv 6 73 79 57 0 + 4 e 176 406 etot -8.3027E+01 mv 0 72 187 0 0 + -1 e 1 33 etot 7.3706E+27 mv 6 73 81 173 0 + 4 e 117 28 etot -6.9801E+01 mv 6 73 79 64 0 + 4 e 167 35 etot -8.7211E+01 mv 6 73 81 197 0 + 4 e 166 21 etot -8.9605E+01 mv 6 73 79 86 0 c 79 2.9 0.0 + -1 e 1 39 etot 1.3528E+20 mv 6 73 81 12 0 + 4 e 185 13 etot -8.2198E+01 mv 6 73 64 9 0 + 4 e 200 26 etot -8.9605E+01 mv 6 73 79 113 0 c 79 1.9 0.0 + 4 e 202 23 etot -8.9605E+01 mv 6 73 79 27 0 + -1 e 1 43 etot 1.3528E+20 mv 6 73 108 130 0 + 4 e 218 24 etot -8.6340E+01 mv 6 73 79 140 0 + 4 e 222 14 etot -7.4264E+01 mv 6 73 64 166 0 + -1 e 1 45 etot 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2.5 0.0 + 4 e 222 40 etot -8.7211E+01 mv 6 73 81 59 0 + 4 e 414 11 etot -8.3998E+01 mv 6 73 64 73 0 + 4 e 432 34 etot -7.6370E+01 mv 6 73 81 62 0 + 4 e 407 30 etot -8.9604E+01 mv 6 73 79 196 0 + 4 e 117 60 etot -7.4842E+01 mv 6 73 185 94 0 + 4 e 441 9 etot -8.3284E+01 mv 6 73 47 73 0 + 4 e 241 41 etot -8.4631E+01 mv 6 73 108 30 0 + 4 e 338 37 etot -7.4260E+01 mv 6 73 81 76 0 + -1 e 1 75 etot 1.3528E+20 mv 6 73 145 42 0 + 4 e 240 47 etot -8.3077E+01 mv 6 73 108 149 0 + 4 e 273 46 etot -8.5822E+01 mv 6 73 108 1 0 c 108 182.5 2.8 + -1 e 1 78 etot 1.3528E+20 mv 6 73 145 6 0 + 4 e 522 8 etot -8.7264E+01 mv 6 73 47 62 0 + 4 e 225 61 etot -8.0951E+01 mv 6 73 187 184 0 + 4 e 269 63 etot -7.0708E+01 mv 6 73 187 57 0 + -1 e 1 82 etot 1.3528E+20 mv 6 73 24 55 0 + 4 e 272 53 etot -8.6001E+01 mv 6 73 185 39 0 + 4 e 177 74 etot -8.4631E+01 mv 6 73 145 174 0 + 4 e 358 52 etot -7.8360E+01 mv 6 73 185 195 0 + -1 e 1 86 etot 1.3528E+20 mv 6 73 24 81 0 + 4 e 409 57 etot -8.0899E+01 mv 6 73 185 182 0 + 4 e 300 59 etot -7.5196E+01 mv 6 73 185 177 0 + 4 e 563 19 etot -7.7900E+01 mv 6 73 64 108 0 + -1 e 1 90 etot 1.3528E+20 mv 6 73 24 75 0 + -1 e 1 91 etot 4.3211E+36 mv 6 73 161 48 0 + 4 e 509 54 etot -7.9953E+01 mv 6 73 185 154 0 + 4 e 364 58 etot -8.6631E+01 mv 6 73 185 115 0 + 4 e 194 77 etot -8.1951E+01 mv 6 73 145 78 0 + 4 e 306 65 etot -8.3106E+01 mv 6 73 187 26 0 c 187 139.5 0.0 + -1 e 1 96 etot 1.3528E+20 mv 6 73 161 124 0 + 4 e 297 62 etot -8.4665E+01 mv 6 73 187 28 0 + 4 e 373 67 etot -8.3285E+01 mv 6 73 187 6 0 + -1 e 1 98 etot 1.3528E+20 mv 6 73 161 150 0 + 4 e 245 73 etot -8.3800E+01 mv 6 73 145 42 0 + 4 e 351 66 etot -7.7146E+01 mv 6 73 187 155 0 + 4 e 321 71 etot -8.5359E+01 mv 6 73 145 51 0 + 4 e 516 38 etot -8.3806E+01 mv 6 73 81 88 0 f 189 436.7 0.9 + 4 e 481 49 etot -8.3235E+01 mv 6 73 108 84 0 + 4 e 696 29 etot -8.7642E+01 mv 6 73 79 139 0 + 4 e 262 81 etot -9.0761E+01 mv 6 73 24 34 0 + 4 e 383 68 etot -8.3095E+01 mv 6 73 187 111 0 + 4 e 354 69 etot -7.7093E+01 mv 6 73 187 106 0 + 4 e 573 51 etot -8.2047E+01 mv 6 73 185 175 0 + 4 e 136 100 etot -6.5203E+01 mv 6 73 161 32 0 + 4 e 250 85 etot -8.7211E+01 mv 6 73 24 81 0 + -1 e 1 112 etot 1.3528E+20 mv 6 73 1 117 0 + 4 e 333 72 etot -8.4611E+01 mv 6 73 145 23 0 + -1 e 1 114 etot 1.3528E+20 mv 6 73 1 121 0 + 4 e 356 79 etot -8.1358E+01 mv 6 73 145 33 0 + 4 e 455 56 etot -8.1328E+01 mv 6 73 185 23 0 + 4 e 549 42 etot -7.6337E+01 mv 6 73 108 138 0 + 4 e 165 101 etot -8.4156E+01 mv 6 73 36 54 0 + 4 e 341 80 etot -8.5359E+01 mv 6 73 145 64 0 + -1 e 1 120 etot 1.3528E+20 mv 6 73 1 198 0 + 4 e 295 88 etot -8.8010E+01 mv 6 73 24 109 0 + 4 e 299 87 etot -8.8917E+01 mv 6 73 24 129 0 + 4 e 259 84 etot -8.4802E+01 mv 6 73 24 107 0 + 4 e 288 94 etot -8.4532E+01 mv 6 73 161 31 0 + 4 e 269 92 etot -8.9247E+01 mv 6 73 161 180 0 c 86 20.6 0.4 + 4 e 407 70 etot -8.3094E+01 mv 6 73 187 149 0 + 4 e 319 95 etot -8.8558E+01 mv 6 73 161 96 0 + 4 e 481 83 etot -8.8109E+01 mv 6 73 24 34 0 c 103 253.4 1.7 + 4 e 332 97 etot -8.4364E+01 mv 6 73 161 37 0 + 4 e 226 110 etot -8.8215E+01 mv 6 73 36 63 0 + 4 e 206 113 etot -7.2555E+01 mv 6 73 1 141 0 + 4 e 228 104 etot -7.6574E+01 mv 6 73 36 113 0 + 4 e 550 64 etot -8.7145E+01 mv 6 73 187 154 0 + 4 e 115 126 etot -6.9218E+01 mv 6 73 196 19 0 + 4 e 326 107 etot -7.9208E+01 mv 6 73 36 200 0 + 4 e 256 115 etot -7.9610E+01 mv 6 73 1 104 0 + 4 e 254 116 etot -8.3769E+01 mv 6 73 1 49 0 + 4 e 329 109 etot -8.8079E+01 mv 6 73 36 101 0 + 4 e 246 123 etot -7.4305E+01 mv 6 73 196 198 0 + 4 e 369 108 etot -8.2997E+01 mv 6 73 36 103 0 f 60 447.5 0.1 + 4 e 261 122 etot -8.0222E+01 mv 6 73 196 57 0 + 4 e 493 76 etot -8.2363E+01 mv 6 73 145 37 0 + 4 e 296 119 etot -8.8114E+01 mv 6 73 1 150 0 + 4 e 443 102 etot -8.2905E+01 mv 6 73 36 110 0 + 4 e 295 121 etot -8.8871E+01 mv 6 73 196 74 0 + 4 e 392 111 etot -7.8974E+01 mv 6 73 1 123 0 + 4 e 355 117 etot -8.3933E+01 mv 6 73 1 139 0 + 4 e 276 106 etot -8.7772E+01 mv 6 73 36 88 0 + 4 e 289 125 etot -7.9745E+01 mv 6 73 196 159 0 + 4 e 168 138 etot -8.6767E+01 mv 6 73 153 73 0 + 4 e 562 103 etot -9.2239E+01 mv 6 73 36 148 0 + 4 e 636 93 etot -8.5132E+01 mv 6 73 161 180 0 + 4 e 261 131 etot -8.5429E+01 mv 6 73 153 183 0 + 4 e 388 124 etot -8.3089E+01 mv 6 73 196 56 0 f 155 407.8 0.2 + 4 e 268 132 etot -7.8972E+01 mv 6 73 153 45 0 + 4 e 656 99 etot -7.8729E+01 mv 6 73 161 72 0 + 4 e 405 105 etot -7.6801E+01 mv 6 73 36 17 0 + -1 e 1 158 etot 1.3528E+20 mv 6 73 183 8 0 + 4 e 351 128 etot -7.5708E+01 mv 6 73 196 188 0 + -1 e 1 159 etot 1.3528E+20 mv 6 73 183 140 0 + 4 e 332 129 etot -8.2445E+01 mv 6 73 196 166 0 + 4 e 493 89 etot -8.1464E+01 mv 6 73 24 118 0 + 4 e 187 134 etot -8.8055E+01 mv 6 73 153 95 0 + 4 e 232 140 etot -8.8055E+01 mv 6 73 153 178 0 + 4 e 16 163 etot -8.5211E+01 mv 6 73 139 143 0 c 143 0.0 0.0 + 4 e 277 136 etot -8.7951E+01 mv 6 73 153 39 0 + -1 e 1 167 etot 1.3528E+20 mv 6 73 139 103 0 + 4 e 218 133 etot -8.8055E+01 mv 6 73 153 166 0 + -1 e 1 169 etot 1.3528E+20 mv 6 73 139 98 0 + 4 e 242 141 etot -7.8413E+01 mv 6 73 48 89 0 + 4 e 339 135 etot -8.6043E+01 mv 6 73 153 42 0 + 4 e 313 127 etot -8.8871E+01 mv 6 73 196 188 0 + 4 e 299 146 etot -8.7699E+01 mv 6 73 48 193 0 + 4 e 214 154 etot -8.7603E+01 mv 6 73 183 174 0 + 4 e 292 150 etot -8.7655E+01 mv 6 73 48 56 0 + 4 e 199 160 etot -7.3024E+01 mv 6 73 183 1 0 + 4 e 356 145 etot -8.7699E+01 mv 6 73 48 153 0 + 4 e 177 165 etot -8.8359E+01 mv 6 73 139 177 0 + 4 e 225 157 etot -7.0551E+01 mv 6 73 183 126 0 + 4 e 437 139 etot -7.8610E+01 mv 6 73 153 189 0 + 4 e 342 148 etot -8.9341E+01 mv 6 73 48 197 0 + 4 e 246 156 etot -7.4478E+01 mv 6 73 183 16 0 + 4 e 403 144 etot -7.6087E+01 mv 6 73 48 125 0 + 4 e 377 147 etot -8.7517E+01 mv 6 73 48 54 0 + 4 e 289 153 etot -7.9959E+01 mv 6 73 183 179 0 + 4 e 439 118 etot -8.1039E+01 mv 6 73 1 59 0 + 4 e 296 155 etot -7.6985E+01 mv 6 73 183 102 0 + 4 e 310 152 etot -7.7116E+01 mv 6 73 183 66 0 + 4 e 207 172 etot -9.2543E+01 mv 6 73 40 191 0 c 104 43.6 0.2 + 4 e 413 168 etot -8.2882E+01 mv 6 73 139 189 0 + 4 e 398 162 etot -8.5968E+01 mv 6 73 139 33 0 + 4 e 566 142 etot -8.1097E+01 mv 6 73 48 114 0 + 4 e 198 181 etot -8.7411E+01 mv 6 73 96 36 0 + 4 e 252 176 etot -8.6503E+01 mv 6 73 40 4 0 c 4 32.9 0.1 + 4 e 669 130 etot -8.8825E+01 mv 6 73 196 150 0 + 4 e 625 137 etot -8.5775E+01 mv 6 73 153 172 0 + 4 e 253 171 etot -7.6391E+01 mv 6 73 40 35 0 + 4 e 190 177 etot -9.2543E+01 mv 6 73 40 139 0 c 104 0.7 0.0 + 4 e 228 183 etot -8.4392E+01 mv 6 73 96 82 0 + -1 e 1 192 etot 1.3528E+20 mv 6 73 124 92 0 + 4 e 62 193 etot -8.3770E+01 mv 6 73 124 49 0 c 49 0.3 0.0 + 4 e 355 180 etot -8.1472E+01 mv 6 73 40 183 0 + 4 e 399 174 etot -8.3041E+01 mv 6 73 40 81 0 + 4 e 375 184 etot -8.3156E+01 mv 6 73 96 110 0 + 4 e 275 185 etot -8.8872E+01 mv 6 73 96 59 0 c 96 50.5 0.2 + -1 e 1 194 etot 1.3528E+20 mv 6 73 124 42 0 + 4 e 329 175 etot -8.8509E+01 mv 6 73 40 116 0 + 4 e 568 151 etot -8.4277E+01 mv 6 73 183 182 0 + 4 e 232 188 etot -8.6171E+01 mv 6 73 96 169 0 + 4 e 414 182 etot -9.1403E+01 mv 6 73 96 76 0 + -1 e 1 201 etot 1.1384E+37 mv 2 73 47 -116 0 + 4 e 299 190 etot -8.8646E+01 mv 6 73 96 111 0 + 4 e 310 178 etot -7.6368E+01 mv 6 73 40 63 0 + -1 e 1 206 etot 2.4024E+26 mv 2 73 64 -140 0 + -1 e 1 208 etot 1.3528E+20 mv 2 73 64 -57 0 + 4 e 423 143 etot -7.1517E+01 mv 6 73 48 30 0 + 4 e 317 149 etot -8.4359E+01 mv 6 73 48 81 0 + 4 e 374 161 etot -8.5265E+01 mv 6 73 139 55 0 + -1 e 1 212 etot 1.3528E+20 mv 2 73 79 -193 0 + 4 e 265 166 etot -8.8289E+01 mv 6 73 139 172 0 + 4 e 380 170 etot -8.3548E+01 mv 6 73 139 45 0 + -1 e 1 218 etot 1.3528E+20 mv 2 73 81 -170 0 + -1 e 1 222 etot 1.3528E+20 mv 2 73 108 -82 0 + 4 e 438 179 etot -7.7475E+01 mv 6 73 40 178 0 + -1 e 1 224 etot 1.3528E+20 mv 2 73 108 -172 0 + 4 e 260 187 etot -7.8386E+01 mv 6 73 96 15 0 + 4 e 429 186 etot -8.6325E+01 mv 6 73 96 149 0 + -1 e 1 205 etot 1.3528E+20 mv 2 73 47 -23 0 + 4 e 223 195 etot -8.4631E+01 mv 6 73 124 118 0 + 4 e 230 198 etot -7.9209E+01 mv 6 73 124 126 0 + 4 e 473 189 etot -8.0050E+01 mv 6 73 96 158 0 + 4 e 298 199 etot -8.2375E+01 mv 6 73 124 6 0 + 4 e 326 191 etot -7.3934E+01 mv 6 73 124 153 0 + -1 e 1 234 etot 1.3528E+20 mv 2 73 187 -87 0 + 4 e 550 164 etot -7.2240E+01 mv 6 73 139 136 0 + 4 e 186 214 etot -8.5756E+01 mv 2 73 79 -90 0 + 4 e 129 221 etot -8.3071E+01 mv 2 73 108 -27 0 + 4 e 192 225 etot -8.2536E+01 mv 2 73 108 -139 0 + -1 e 1 239 etot 1.3528E+20 mv 2 73 145 -8 0 + 4 e 201 230 etot -7.0436E+01 mv 2 73 185 -178 0 + 4 e 261 215 etot -7.2724E+01 mv 2 73 79 -135 0 + 4 e 226 202 etot -6.9274E+01 mv 2 73 47 -91 0 + 4 e 285 216 etot -8.2420E+01 mv 2 73 81 -98 0 + 4 e 298 211 etot -7.8275E+01 mv 2 73 79 -126 0 + -1 e 1 245 etot 1.3528E+20 mv 2 73 24 -172 0 + 4 e 309 213 etot -8.9605E+01 mv 2 73 79 -134 0 + 4 e 316 220 etot -8.7211E+01 mv 2 73 81 -62 0 + 4 e 292 203 etot -7.3594E+01 mv 2 73 47 -28 0 + 4 e 536 197 etot -7.9296E+01 mv 6 73 124 179 0 + 4 e 271 232 etot -6.8447E+01 mv 2 73 187 -110 0 + 4 e 526 173 etot -8.3710E+01 mv 6 73 40 60 0 + 4 e 225 235 etot -8.3095E+01 mv 2 73 187 -29 0 + 4 e 387 229 etot -7.6268E+01 mv 2 73 185 -141 0 + 4 e 347 228 etot -6.9684E+01 mv 2 73 185 -106 0 + 4 e 421 210 etot -7.2156E+01 mv 2 73 64 -176 0 + 4 e 565 196 etot -7.8239E+01 mv 6 73 124 164 0 + 4 e 442 204 etot -7.4432E+01 mv 2 73 47 -155 0 + 4 e 153 244 etot -9.0761E+01 mv 2 73 24 175 0 + 4 e 420 231 etot -8.3697E+01 mv 2 73 187 -61 0 + 4 e 222 241 etot -9.0761E+01 mv 2 73 24 133 0 + 4 e 298 237 etot -6.5548E+01 mv 2 73 145 42 0 + 4 e 492 200 etot -8.2033E+01 mv 6 73 124 50 0 + 4 e 244 243 etot -9.0761E+01 mv 2 73 24 180 0 + 4 e 253 242 etot -9.0761E+01 mv 2 73 24 102 0 + 4 e 196 249 etot -8.9075E+01 mv 2 73 161 -31 0 + 4 e 367 219 etot -6.7286E+01 mv 2 73 81 -20 0 + -1 e 1 267 etot 1.3528E+20 mv 2 73 153 -28 0 + 4 e 210 248 etot -8.9075E+01 mv 2 73 161 -80 0 c 161 0.9 0.0 + 4 e 227 250 etot -8.9075E+01 mv 2 73 161 99 0 + 4 e 251 251 etot -8.5492E+01 mv 2 73 36 -6 0 + 4 e 305 247 etot -7.2671E+01 mv 2 73 161 -175 0 + 4 e 204 256 etot -8.8115E+01 mv 2 73 1 -73 0 + 4 e 248 253 etot -8.0194E+01 mv 2 73 36 171 0 + 4 e 530 233 etot -8.3395E+01 mv 2 73 187 -2 0 + -1 e 1 275 etot 1.3528E+20 mv 2 73 48 -47 0 + 4 e 664 207 etot -6.8681E+01 mv 2 73 64 -7 0 + 4 e 239 255 etot -8.0161E+01 mv 2 73 36 91 0 + 4 e 362 246 etot -7.4253E+01 mv 2 73 161 -178 0 + 4 e 138 266 etot -8.8055E+01 mv 2 73 153 14 0 + 4 e 450 217 etot -7.3167E+01 mv 2 73 81 -162 0 + 4 e 199 263 etot -8.8871E+01 mv 2 73 196 161 0 + 4 e 199 264 etot -7.1441E+01 mv 2 73 196 191 0 + -1 e 1 283 etot 1.3528E+20 mv 2 73 139 -136 0 + -1 e 1 284 etot 1.3528E+20 mv 2 73 139 -126 0 + 4 e 241 261 etot -7.3666E+01 mv 2 73 196 112 0 + 4 e 731 209 etot -8.2024E+01 mv 2 73 64 -159 0 + 4 e 497 223 etot -6.4625E+01 mv 2 73 108 -109 0 + 4 e 523 240 etot -8.6661E+01 mv 2 73 145 -66 0 + 4 e 121 279 etot -8.1671E+01 mv 2 73 183 -122 0 + 4 e 338 260 etot -7.7233E+01 mv 2 73 1 43 0 + 4 e 366 259 etot -7.6708E+01 mv 2 73 1 13 0 + 4 e 204 273 etot -8.7700E+01 mv 2 73 48 -127 0 + -1 e 1 293 etot 1.3528E+20 mv 2 73 96 -93 0 + 4 e 422 258 etot -7.6816E+01 mv 2 73 1 46 0 + 4 e 594 227 etot -6.9086E+01 mv 2 73 185 -9 0 + 4 e 473 254 etot -7.6289E+01 mv 2 73 36 5 0 + 4 e 473 257 etot -8.8113E+01 mv 2 73 1 110 0 + 4 e 253 278 etot -8.7603E+01 mv 2 73 183 -117 0 + 4 e 500 238 etot -8.0614E+01 mv 2 73 145 125 0 + 4 e 349 271 etot -7.7643E+01 mv 2 73 48 49 0 + 4 e 257 285 etot -7.3918E+01 mv 2 73 139 -4 0 + 4 e 223 289 etot -9.1490E+01 mv 2 73 40 22 0 + 4 e 672 226 etot -8.3809E+01 mv 2 73 185 -79 0 + 4 e 580 236 etot -7.8167E+01 mv 2 73 145 40 0 + 4 e 514 262 etot -8.3452E+01 mv 2 73 196 150 0 + 4 e 356 277 etot -7.8871E+01 mv 2 73 183 74 0 + 4 e 450 269 etot -8.5837E+01 mv 2 73 153 35 0 + 4 e 116 297 etot -6.9023E+01 mv 2 73 124 16 0 + 4 e 139 295 etot -8.8647E+01 mv 2 73 96 157 0 + 4 e 447 252 etot -8.5458E+01 mv 2 73 36 22 0 + 4 e 381 274 etot -7.1033E+01 mv 2 73 48 13 0 + 4 e 330 280 etot -7.9319E+01 mv 2 73 183 66 0 + 4 e 369 276 etot -8.6066E+01 mv 2 73 183 143 0 + 4 e 224 292 etot -8.8647E+01 mv 2 73 96 89 0 + 4 e 325 286 etot -9.0337E+01 mv 2 73 40 -33 0 c 40 27.8 0.0 + 4 e 475 272 etot -7.0331E+01 mv 2 73 48 14 0 + 4 e 375 287 etot -7.4779E+01 mv 2 73 40 22 0 + -1 e 1 318 etot 1.3528E+20 mv 1 73 81 -138 0 + 4 e 190 298 etot -8.8097E+01 mv 2 73 124 184 0 + 4 e 557 270 etot -8.2862E+01 mv 2 73 153 147 0 + 4 e 274 294 etot -8.6170E+01 mv 2 73 96 194 0 + 4 e 437 282 etot -8.0245E+01 mv 2 73 139 103 0 + -1 e 1 323 etot 1.3528E+20 mv 1 73 108 -74 0 + 4 e 621 265 etot -8.2078E+01 mv 2 73 196 73 0 + -1 e 1 325 etot 1.3528E+20 mv 1 73 108 -64 0 + 4 e 440 268 etot -7.9194E+01 mv 2 73 153 -134 0 + 4 e 261 299 etot -6.8396E+01 mv 2 73 124 46 0 + 4 e 249 301 etot -8.7267E+01 mv 1 73 47 -197 0 + 4 e 196 312 etot -7.2813E+01 mv 1 73 79 -151 0 + 4 e 434 290 etot -7.6064E+01 mv 2 73 40 68 0 + 4 e 212 313 etot -6.9023E+01 mv 1 73 79 -11 0 + 4 e 379 281 etot -8.8358E+01 mv 2 73 139 62 0 + 4 e 173 305 etot -7.4799E+01 mv 1 73 47 -1 0 + 4 e 134 321 etot -8.3071E+01 mv 1 73 108 -45 0 + 4 e 320 302 etot -6.5737E+01 mv 1 73 47 -39 0 + 4 e 315 303 etot -8.3959E+01 mv 1 73 47 -200 0 + -1 e 1 337 etot 1.3528E+20 mv 1 73 145 -86 0 + 4 e 278 310 etot -8.5188E+01 mv 1 73 64 -172 0 + 4 e 250 316 etot -7.1769E+01 mv 1 73 81 -96 0 + -1 e 1 340 etot 1.3528E+20 mv 1 73 145 -67 0 + 4 e 384 288 etot -8.1943E+01 mv 2 73 40 51 0 + 4 e 218 319 etot -8.7211E+01 mv 1 73 81 -193 0 + 4 e 322 309 etot -8.5188E+01 mv 1 73 64 -110 0 + -1 e 1 344 etot 1.3528E+20 mv 1 73 24 185 0 + 4 e 235 311 etot -8.9605E+01 mv 1 73 79 -75 0 c 79 1.3 0.0 + 4 e 235 322 etot -8.3071E+01 mv 1 73 108 -11 0 + 4 e 568 291 etot -8.5938E+01 mv 2 73 96 -59 0 + 4 e 170 331 etot -8.3096E+01 mv 1 73 187 -165 0 + 4 e 396 307 etot -8.4363E+01 mv 1 73 64 -97 0 + 4 e 145 341 etot -9.0761E+01 mv 1 73 24 -176 0 + 4 e 309 324 etot -7.0859E+01 mv 1 73 108 -48 0 + -1 e 1 352 etot 1.3528E+20 mv 1 73 36 -150 0 + 4 e 162 338 etot -8.5360E+01 mv 1 73 145 -78 0 + 4 e 184 336 etot -8.5360E+01 mv 1 73 145 -48 0 + 4 e 203 335 etot -8.1998E+01 mv 1 73 187 -6 0 + 4 e 333 304 etot -7.8343E+01 mv 1 73 47 -63 0 + 4 e 256 332 etot -8.3095E+01 mv 1 73 187 -41 0 + 4 e 473 315 etot -7.8040E+01 mv 1 73 79 -169 0 + 4 e 328 329 etot -6.9714E+01 mv 1 73 185 -160 0 + 4 e 488 314 etot -8.9604E+01 mv 1 73 79 -30 0 + 4 e 376 326 etot -8.2549E+01 mv 1 73 185 -146 0 + 4 e 540 308 etot -7.7241E+01 mv 1 73 64 -175 0 + -1 e 1 363 etot 2.0899E+20 mv 1 73 196 -51 0 + 4 e 546 306 etot -8.5187E+01 mv 1 73 64 -135 0 + 4 e 272 327 etot -5.0366E+01 mv 1 73 185 -136 0 + 4 e 138 351 etot -8.8215E+01 mv 1 73 36 184 0 + 4 e 492 296 etot -8.1454E+01 mv 2 73 124 -197 0 + 4 e 456 300 etot -8.2004E+01 mv 2 73 124 98 0 + 4 e 262 345 etot -9.0760E+01 mv 1 73 24 159 0 + 4 e 147 355 etot -8.8215E+01 mv 1 73 36 183 0 + -1 e 1 371 etot 1.3528E+20 mv 1 73 48 -131 0 + 4 e 319 339 etot -8.5360E+01 mv 1 73 145 139 0 + 4 e 207 349 etot -8.9075E+01 mv 1 73 161 -190 0 + 4 e 236 350 etot -8.8505E+01 mv 1 73 161 124 0 + 4 e 569 317 etot -8.0722E+01 mv 1 73 81 -110 0 + 4 e 201 346 etot -8.9075E+01 mv 1 73 161 -115 0 + 4 e 478 328 etot -8.4484E+01 mv 1 73 185 -76 0 + 4 e 323 348 etot -8.8505E+01 mv 1 73 161 38 0 + 4 e 255 358 etot -7.5890E+01 mv 1 73 1 -154 0 + 4 e 513 330 etot -8.0249E+01 mv 1 73 185 -135 0 + 4 e 294 356 etot -8.7939E+01 mv 1 73 1 75 0 + 4 e 241 361 etot -8.8871E+01 mv 1 73 196 -191 0 + 4 e 481 343 etot -8.2245E+01 mv 1 73 24 179 0 + 4 e 201 367 etot -8.8055E+01 mv 1 73 153 156 0 + 4 e 395 334 etot -8.0788E+01 mv 1 73 187 -155 0 + 4 e 259 364 etot -6.6515E+01 mv 1 73 196 -53 0 + 4 e 709 320 etot -8.7209E+01 mv 1 73 81 -51 0 + 4 e 273 365 etot -6.8850E+01 mv 1 73 196 24 0 + 4 e 204 376 etot -8.7463E+01 mv 1 73 183 -97 0 + 4 e 249 372 etot -8.7699E+01 mv 1 73 48 38 0 + 4 e 293 373 etot -6.3300E+01 mv 1 73 48 -123 0 + 4 e 208 366 etot -8.8055E+01 mv 1 73 153 6 0 + 4 e 465 353 etot -8.0466E+01 mv 1 73 36 196 0 + 4 e 546 347 etot -8.1410E+01 mv 1 73 161 143 0 + 4 e 248 369 etot -8.8055E+01 mv 1 73 153 112 0 + 4 e 355 374 etot -8.7699E+01 mv 1 73 48 -179 0 + -1 e 1 397 etot 1.1394E+22 mv 1 73 124 26 0 + 4 e 432 362 etot -8.3470E+01 mv 1 73 196 -135 0 + -1 e 1 399 etot 1.3528E+20 mv 1 73 124 80 0 + 4 e 331 375 etot -8.7699E+01 mv 1 73 48 -95 0 + -1 e 1 400 etot 1.3528E+20 mv 1 73 124 75 0 + 4 e 238 382 etot -7.5359E+01 mv 1 73 139 -196 0 + 4 e 521 354 etot -7.9452E+01 mv 1 73 36 -135 0 + 4 e 471 342 etot -7.7818E+01 mv 1 73 24 -52 0 + 4 e 10 404 etot -8.7212E+01 mv 0 73 81 0 0 c 81 0.0 0.0 + 4 e 261 381 etot -8.8359E+01 mv 1 73 139 147 0 + 4 e 498 359 etot -8.2435E+01 mv 1 73 1 -86 0 + 4 e 14 408 etot -8.5361E+01 mv 0 73 145 0 0 c 145 0.0 0.0 + 4 e 10 409 etot -9.0761E+01 mv 0 73 24 0 0 c 24 0.0 0.0 + 4 e 220 387 etot -9.0337E+01 mv 1 73 40 -200 0 c 40 1.0 0.0 + 4 e 429 370 etot -8.4013E+01 mv 1 73 153 -157 0 + 4 e 243 385 etot -8.8359E+01 mv 1 73 139 -46 0 + 4 e 2 411 etot -8.8216E+01 mv 0 73 36 0 0 + 4 e 2 412 etot -8.8115E+01 mv 0 73 1 0 0 + 4 e 524 360 etot -8.7938E+01 mv 1 73 1 -15 0 + 4 e 2 416 etot -8.7603E+01 mv 0 73 183 0 0 + 4 e 2 417 etot -8.8359E+01 mv 0 73 139 0 0 + 4 e 82 401 etot -8.7267E+01 mv 0 73 47 0 0 + 4 e 352 379 etot -8.2640E+01 mv 1 73 183 -150 0 +## N0 total= 19 close= 9 far= 0 %acc 47.4 +## N1 total= 101 close= 2 far= 0 %acc 2.0 +## N2 total= 100 close= 2 far= 0 %acc 2.0 +## N3 total= 0 close= 0 far= 0 %acc 0.0 +## N4 total= 0 close= 0 far= 0 %acc 0.0 +## N5 total= 0 close= 0 far= 0 %acc 0.0 +## N6 total= 200 close= 16 far= 3 %acc 9.5 +## N7 total= 0 close= 0 far= 0 %acc 0.0 +## N8 total= 0 close= 0 far= 0 %acc 0.0 +## N9 total= 0 close= 0 far= 0 %acc 0.0 +##N10 total= 0 close= 0 far= 0 %acc 0.0 +##N11 total= 0 close= 0 far= 0 %acc 0.0 +##N12 total= 0 close= 0 far= 0 %acc 0.0 +##N13 total= 0 close= 0 far= 0 %acc 0.0 +##N14 total= 0 close= 0 far= 0 %acc 0.0 +##N15 total= 0 close= 0 far= 0 %acc 0.0 +##N16 total= 0 close= 0 far= 0 %acc 0.0 +##N17 total= 0 close= 0 far= 0 %acc 0.0 +##N18 total= 0 close= 0 far= 0 %acc 0.0 + Time for refresh 74 0.27 + make_var : nseed= 20 ntry= 420 + Time for make trial 75 0.07 +Nonsetup time 146.95 sec, Eval/s = 64562.15 +Time for iter 75 1.88 sec, Eval/s = 67576.00 + UPDATING 420 + 4 e 123 406 etot -8.7059E+01 mv 0 73 185 0 0 c 185 1.8 0.0 + 4 e 92 407 etot -8.3096E+01 mv 0 73 187 0 0 + 4 e 310 394 etot -7.7938E+01 mv 1 73 96 108 0 + 4 e 66 414 etot -8.8055E+01 mv 0 73 153 0 0 c 153 0.3 0.0 + 4 e 366 391 etot -7.1330E+01 mv 1 73 96 -188 0 + 4 e 387 378 etot -7.3563E+01 mv 1 73 183 -76 0 + 4 e 611 380 etot -8.6429E+01 mv 1 73 183 119 0 + 4 e 505 392 etot -7.6470E+01 mv 1 73 96 -105 0 + 4 e 57 415 etot -8.7700E+01 mv 0 73 48 0 0 + 4 e 89 402 etot -8.5189E+01 mv 0 73 64 0 0 c 64 1.1 0.0 + 4 e 21 419 etot -8.8647E+01 mv 0 73 96 0 0 + 4 e 84 410 etot -8.9075E+01 mv 0 73 161 0 0 c 161 0.9 0.0 + 4 e 404 384 etot -7.8758E+01 mv 1 73 139 64 0 + 4 e 25 413 etot -8.8871E+01 mv 0 73 196 0 0 c 196 0.0 0.0 + 4 e 322 388 etot -7.7500E+01 mv 1 73 40 -151 0 + 4 e 279 395 etot -7.9811E+01 mv 1 73 96 -104 0 + 4 e 230 398 etot -8.7839E+01 mv 1 73 124 130 0 + -1 e 1 8 etot 1.3528E+20 mv 6 74 4 63 0 + 4 e 229 390 etot -9.0331E+01 mv 1 73 40 138 0 + 4 e 135 403 etot -8.9605E+01 mv 0 73 79 0 0 c 79 1.4 0.0 + 4 e 2 420 etot -8.8097E+01 mv 0 73 124 0 0 + -1 e 1 13 etot 1.3528E+20 mv 6 74 47 74 0 + 4 e 88 418 etot -9.0331E+01 mv 0 73 40 0 0 + 4 e 577 389 etot -8.9836E+01 mv 1 73 40 67 0 + 4 e 325 383 etot -7.6001E+01 mv 1 73 139 129 0 + 4 e 382 368 etot -8.6963E+01 mv 1 73 153 83 0 + 4 e 404 377 etot -7.7560E+01 mv 1 73 183 170 0 + -1 e 1 21 etot 1.3528E+20 mv 6 74 60 169 0 + 8 e 740 333 etot -5.1402E+01 mv 1 73 187 -116 0 + 4 e 117 405 etot -8.3071E+01 mv 0 73 108 0 0 + -1 e 1 22 etot 1.6860E+23 mv 6 74 60 162 0 + 4 e 262 393 etot -8.8646E+01 mv 1 73 96 89 0 + 4 e 476 386 etot -9.0330E+01 mv 1 73 40 73 0 + 4 e 285 396 etot -7.5796E+01 mv 1 73 124 62 0 + 4 e 526 357 etot -8.7937E+01 mv 1 73 1 -85 0 + 4 e 175 6 etot -6.8213E+01 mv 6 74 4 129 0 + 4 e 178 31 etot -8.8326E+01 mv 6 74 86 25 0 + -1 e 1 37 etot 1.3528E+20 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139 32 0 + 4 e 281 363 etot -7.5294E+01 mv 1 74 139 23 0 + 4 e 539 317 etot -7.8214E+01 mv 1 74 86 -89 0 + 4 e 245 357 etot -8.5769E+01 mv 1 74 148 -106 0 + 4 e 315 362 etot -7.4361E+01 mv 1 74 139 -106 0 + 4 e 513 327 etot -7.7506E+01 mv 1 74 103 -62 0 + 4 e 289 366 etot -8.8215E+01 mv 1 74 36 -56 0 + -1 e 1 393 etot 1.3528E+20 mv 1 74 59 -55 0 + 4 e 543 346 etot -7.8711E+01 mv 1 74 187 -105 0 + 4 e 192 375 etot -8.9262E+01 mv 1 74 8 137 0 + 4 e 291 369 etot -8.1733E+01 mv 1 74 36 87 0 + 4 e 565 348 etot -8.3106E+01 mv 1 74 187 -143 0 + 4 e 232 374 etot -8.9200E+01 mv 1 74 8 45 0 + -1 e 1 399 etot 1.3528E+20 mv 1 74 183 -60 0 + 4 e 288 371 etot -6.7610E+01 mv 1 74 8 -7 0 + 4 e 526 355 etot -8.6605E+01 mv 1 74 189 -121 0 + 4 e 617 349 etot -7.0216E+01 mv 1 74 187 -114 0 + 4 e 295 372 etot -7.8949E+01 mv 1 74 8 -89 0 + 4 e 242 381 etot -8.8871E+01 mv 1 74 196 82 0 + 4 e 223 383 etot -8.8871E+01 mv 1 74 196 -152 0 + 4 e 387 370 etot -8.5599E+01 mv 1 74 36 -181 0 + 4 e 242 385 etot -8.8871E+01 mv 1 74 196 -24 0 + 4 e 260 382 etot -7.8111E+01 mv 1 74 196 -47 0 + 4 e 107 401 etot -8.6504E+01 mv 0 74 4 0 0 c 4 0.6 0.0 + 4 e 58 407 etot -9.2543E+01 mv 0 74 104 0 0 c 104 0.2 0.0 + 4 e 62 408 etot -8.5823E+01 mv 0 74 108 0 0 c 108 0.3 0.0 + 4 e 272 397 etot -7.4891E+01 mv 1 74 183 75 0 + 4 e 493 377 etot -8.8112E+01 mv 1 74 1 -17 0 + 4 e 92 404 etot -8.9248E+01 mv 0 74 86 0 0 c 86 0.4 0.0 + 4 e 393 387 etot -8.8082E+01 mv 1 74 122 -147 0 + 4 e 277 391 etot -8.7893E+01 mv 1 74 59 30 0 + 4 e 188 410 etot -8.3107E+01 mv 0 74 187 0 0 c 187 1.7 0.0 + 4 e 120 403 etot -8.2998E+01 mv 0 74 60 0 0 + 4 e 303 396 etot -7.4885E+01 mv 1 74 183 -92 0 +## N0 total= 18 close= 11 far= 0 %acc 61.1 +## N1 total= 102 close= 2 far= 1 %acc 2.9 +## N2 total= 100 close= 7 far= 0 %acc 7.0 +## N3 total= 0 close= 0 far= 0 %acc 0.0 +## N4 total= 0 close= 0 far= 0 %acc 0.0 +## N5 total= 0 close= 0 far= 0 %acc 0.0 +## N6 total= 200 close= 12 far= 0 %acc 6.0 +## N7 total= 0 close= 0 far= 0 %acc 0.0 +## N8 total= 0 close= 0 far= 0 %acc 0.0 +## N9 total= 0 close= 0 far= 0 %acc 0.0 +##N10 total= 0 close= 0 far= 0 %acc 0.0 +##N11 total= 0 close= 0 far= 0 %acc 0.0 +##N12 total= 0 close= 0 far= 0 %acc 0.0 +##N13 total= 0 close= 0 far= 0 %acc 0.0 +##N14 total= 0 close= 0 far= 0 %acc 0.0 +##N15 total= 0 close= 0 far= 0 %acc 0.0 +##N16 total= 0 close= 0 far= 0 %acc 0.0 +##N17 total= 0 close= 0 far= 0 %acc 0.0 +##N18 total= 0 close= 0 far= 0 %acc 0.0 + Time for refresh 75 0.27 + make_var : nseed= 20 ntry= 420 + Time for make trial 76 0.14 +Nonsetup time 148.79 sec, Eval/s = 64589.59 +Time for iter 76 1.84 sec, Eval/s = 66780.67 + UPDATING 420 + 4 e 463 398 etot -8.2824E+01 mv 1 74 183 -195 0 + 4 e 515 384 etot -8.4451E+01 mv 1 74 196 -19 0 + 4 e 75 412 etot -8.7247E+01 mv 0 74 148 0 0 c 148 0.6 0.0 + 4 e 2 413 etot -8.8359E+01 mv 0 74 139 0 0 + 4 e 614 394 etot -8.4224E+01 mv 1 74 59 -125 0 + 4 e 2 414 etot -8.8216E+01 mv 0 74 36 0 0 + 4 e 18 415 etot -8.9262E+01 mv 0 74 8 0 0 c 8 0.0 0.0 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-8.7602E+01 mv 6 75 183 92 0 + 4 e 291 173 etot -8.7592E+01 mv 6 75 200 108 0 + 4 e 779 90 etot -8.3289E+01 mv 6 75 139 166 0 + 4 e 168 184 etot -7.6573E+01 mv 6 75 174 90 0 + 4 e 275 177 etot -8.4275E+01 mv 6 75 200 36 0 + 4 e 10 197 etot -9.0746E+01 mv 6 75 41 3 0 c 3 0.0 0.0 + -1 e 1 198 etot 1.3528E+20 mv 6 75 41 64 0 + 4 e 399 164 etot -8.7892E+01 mv 6 75 59 127 0 + 4 e 445 162 etot -8.7399E+01 mv 6 75 59 118 0 + 4 e 380 171 etot -8.0986E+01 mv 6 75 200 135 0 + 4 e 403 165 etot -8.8423E+01 mv 6 75 59 180 0 + 4 e 561 152 etot -8.7925E+01 mv 6 75 183 4 0 + 4 e 248 182 etot -7.4663E+01 mv 6 75 174 198 0 + 4 e 499 161 etot -8.0374E+01 mv 6 75 59 10 0 + 4 e 348 176 etot -7.9442E+01 mv 6 75 200 55 0 + 4 e 344 163 etot -8.8752E+01 mv 6 75 59 192 0 + 4 e 557 159 etot -8.4410E+01 mv 6 75 183 3 0 + 4 e 167 191 etot -5.5352E+01 mv 6 75 41 84 0 + 4 e 469 150 etot -8.3525E+01 mv 6 75 47 126 0 + 4 e 491 167 etot -8.7856E+01 mv 6 75 59 54 0 + 4 e 371 180 etot -8.0209E+01 mv 6 75 200 86 0 + 4 e 538 149 etot -7.9079E+01 mv 6 75 47 196 0 + 4 e 175 203 etot -7.3158E+01 mv 2 75 60 -169 0 + 4 e 575 170 etot -8.1377E+01 mv 6 75 59 157 0 + -1 e 1 216 etot 1.3528E+20 mv 2 75 189 -94 0 + 4 e 460 179 etot -8.7590E+01 mv 6 75 200 154 0 + 4 e 239 196 etot -7.4080E+01 mv 6 75 41 100 0 + 4 e 375 186 etot -7.6030E+01 mv 6 75 174 114 0 + 4 e 252 199 etot -8.6974E+01 mv 6 75 41 123 0 + 4 e 244 204 etot -7.6336E+01 mv 2 75 60 -46 0 + 4 e 209 195 etot -8.0468E+01 mv 6 75 41 53 0 + 4 e 254 205 etot -8.2558E+01 mv 2 75 60 -198 0 + 4 e 408 174 etot -8.4313E+01 mv 6 75 200 85 0 + 4 e 444 172 etot -8.4346E+01 mv 6 75 200 95 0 + 4 e 237 189 etot -8.7383E+01 mv 6 75 174 89 0 + 4 e 607 175 etot -8.4990E+01 mv 6 75 200 197 0 + 4 e 389 190 etot -7.1821E+01 mv 6 75 174 126 0 + 4 e 480 166 etot -8.9788E+01 mv 6 75 59 175 0 + 4 e 368 193 etot -7.4600E+01 mv 6 75 41 35 0 + 4 e 379 194 etot -8.0852E+01 mv 6 75 41 138 0 + 4 e 279 209 etot -8.3501E+01 mv 2 75 100 -17 0 + 4 e 142 220 etot -8.3817E+01 mv 2 75 189 -97 0 + 4 e 331 206 etot -7.3910E+01 mv 2 75 100 -142 0 + -1 e 1 235 etot 1.3528E+20 mv 2 75 161 -45 0 + 4 e 504 188 etot -7.1691E+01 mv 6 75 174 112 0 + 4 e 321 207 etot -7.5278E+01 mv 2 75 100 -160 0 + -1 e 1 238 etot 1.3528E+20 mv 2 75 8 -146 0 + 4 e 269 212 etot -6.0147E+01 mv 2 75 119 -110 0 + 4 e 394 201 etot -7.2031E+01 mv 2 75 60 -25 0 + 4 e 452 192 etot -9.0781E+01 mv 6 75 41 117 0 + -1 e 1 242 etot 1.3528E+20 mv 2 75 139 197 0 + 4 e 186 221 etot -8.5038E+01 mv 2 75 159 90 0 + -1 e 1 244 etot 1.3528E+20 mv 2 75 139 -193 0 + 4 e 132 229 etot -7.2611E+01 mv 2 75 168 184 0 + 4 e 342 213 etot -8.5144E+01 mv 2 75 119 -132 0 + 4 e 529 202 etot -5.6022E+01 mv 2 75 60 -178 0 + 4 e 212 231 etot -8.9075E+01 mv 2 75 161 -132 0 + 4 e 188 234 etot -8.9075E+01 mv 2 75 161 53 0 + 4 e 312 211 etot -8.5669E+01 mv 2 75 119 -33 0 + -1 e 1 251 etot 1.3528E+20 mv 2 75 1 139 0 + 4 e 191 239 etot -7.2682E+01 mv 2 75 8 -102 0 + 4 e 466 210 etot -8.0682E+01 mv 2 75 100 -42 0 + 4 e 209 236 etot -8.8732E+01 mv 2 75 8 -99 0 + 4 e 290 228 etot -7.2566E+01 mv 2 75 168 -176 0 + 4 e 253 232 etot -7.2033E+01 mv 2 75 161 35 0 + 4 e 253 233 etot -8.9075E+01 mv 2 75 161 37 0 + 4 e 429 215 etot -8.3036E+01 mv 2 75 119 -194 0 + 4 e 244 225 etot -8.3458E+01 mv 2 75 159 -58 0 + 4 e 235 227 etot -8.9400E+01 mv 2 75 168 80 0 + 4 e 458 218 etot -6.7180E+01 mv 2 75 189 -186 0 + 4 e 274 243 etot -8.8359E+01 mv 2 75 139 164 0 + 4 e 309 241 etot -7.5058E+01 mv 2 75 139 -179 0 + 4 e 342 237 etot -7.1018E+01 mv 2 75 8 -134 0 + 4 e 733 200 etot -8.2309E+01 mv 6 75 41 121 0 + 4 e 450 224 etot -7.9647E+01 mv 2 75 159 51 0 + 4 e 301 245 etot -8.8358E+01 mv 2 75 139 -89 0 + 4 e 155 256 etot -8.8871E+01 mv 2 75 196 -167 0 + 4 e 562 217 etot -6.7152E+01 mv 2 75 189 -152 0 + 4 e 148 258 etot -8.8871E+01 mv 2 75 196 178 0 + 4 e 337 226 etot -7.2531E+01 mv 2 75 168 -61 0 + 4 e 228 254 etot -7.2946E+01 mv 2 75 1 -175 0 + 4 e 347 246 etot -8.8203E+01 mv 2 75 101 -24 0 + 4 e 602 219 etot -7.3966E+01 mv 2 75 189 -56 0 + 4 e 435 240 etot -8.0842E+01 mv 2 75 8 154 0 + 4 e 353 230 etot -8.9228E+01 mv 2 75 168 199 0 c 96 122.3 0.2 + 4 e 544 208 etot -7.4460E+01 mv 2 75 100 -153 0 + 4 e 418 247 etot -7.4492E+01 mv 2 75 101 73 0 + -1 e 1 279 etot 1.3528E+20 mv 2 75 183 194 0 + 4 e 217 252 etot -7.2466E+01 mv 2 75 1 -15 0 + 4 e 160 268 etot -8.8215E+01 mv 2 75 36 32 0 + 4 e 663 222 etot -8.3486E+01 mv 2 75 159 -116 0 + 4 e 315 259 etot -8.1368E+01 mv 2 75 196 13 0 + 4 e 238 265 etot -8.8097E+01 mv 2 75 124 114 0 + 4 e 411 248 etot -7.8948E+01 mv 2 75 101 151 0 + 4 e 140 275 etot -8.7719E+01 mv 2 75 47 116 0 + 4 e 535 214 etot -7.5512E+01 mv 2 75 119 -72 0 + 4 e 242 267 etot -7.4423E+01 mv 2 75 36 -85 0 + 4 e 414 257 etot -7.3992E+01 mv 2 75 196 115 0 + 4 e 445 253 etot -7.5760E+01 mv 2 75 1 27 0 + -1 e 1 291 etot 1.3528E+20 mv 2 75 174 -160 0 + 4 e 229 273 etot -7.5782E+01 mv 2 75 47 89 0 + 4 e 396 262 etot -8.6433E+01 mv 2 75 124 -154 0 + 4 e 487 250 etot -7.0881E+01 mv 2 75 101 115 0 + 4 e 229 276 etot -8.7603E+01 mv 2 75 183 17 0 + 4 e 379 264 etot -8.2003E+01 mv 2 75 124 -61 0 + 4 e 512 255 etot -7.7032E+01 mv 2 75 1 -175 0 + 4 e 587 223 etot -7.7564E+01 mv 2 75 159 -182 0 + 4 e 560 249 etot -8.4934E+01 mv 2 75 101 91 0 + 4 e 221 277 etot -7.0751E+01 mv 2 75 183 -33 0 + 4 e 346 260 etot -8.1698E+01 mv 2 75 196 -60 0 + 4 e 350 274 etot -7.7596E+01 mv 2 75 47 -49 0 + 4 e 220 283 etot -8.7893E+01 mv 2 75 59 -136 0 + 4 e 216 285 etot -8.7893E+01 mv 2 75 59 -63 0 + 4 e 99 295 etot -8.7383E+01 mv 2 75 174 170 0 + 4 e 474 266 etot -7.9720E+01 mv 2 75 36 -37 0 + -1 e 1 307 etot 1.3528E+20 mv 1 75 100 -197 0 + 4 e 500 263 etot -7.9501E+01 mv 2 75 124 -9 0 + 4 e 238 290 etot -8.7592E+01 mv 2 75 200 168 0 + 4 e 360 280 etot -7.6984E+01 mv 2 75 183 102 0 + 4 e 239 292 etot -7.3462E+01 mv 2 75 174 -122 0 + 4 e 300 287 etot -8.6448E+01 mv 2 75 200 -14 0 + 4 e 482 270 etot -8.1895E+01 mv 2 75 36 150 0 + 4 e 376 269 etot -7.6789E+01 mv 2 75 36 49 0 + 4 e 312 278 etot -7.6182E+01 mv 2 75 183 -112 0 + 4 e 442 261 etot -8.8096E+01 mv 2 75 124 93 0 + -1 e 1 317 etot 1.3528E+20 mv 1 75 189 -57 0 + 4 e 439 282 etot -6.7271E+01 mv 2 75 59 162 0 + 4 e 270 296 etot -7.6857E+01 mv 2 75 41 127 0 + 4 e 388 289 etot -7.9865E+01 mv 2 75 200 -53 0 + 4 e 282 298 etot -8.7380E+01 mv 2 75 41 -22 0 + -1 e 1 322 etot 1.3528E+20 mv 1 75 159 134 0 + 4 e 159 300 etot -8.4196E+01 mv 2 75 41 -29 0 + 4 e 159 310 etot -8.5612E+01 mv 1 75 100 -164 0 + 4 e 256 303 etot -7.5063E+01 mv 1 75 60 -171 0 + 4 e 266 308 etot -7.4776E+01 mv 1 75 100 -5 0 + 4 e 343 297 etot -7.7635E+01 mv 2 75 41 200 0 + 4 e 234 299 etot -8.6975E+01 mv 2 75 41 62 0 + -1 e 1 329 etot 1.3528E+20 mv 1 75 168 -54 0 + 4 e 537 286 etot -8.5952E+01 mv 2 75 200 121 0 + 4 e 319 305 etot -8.3936E+01 mv 1 75 60 -176 0 + 4 e 413 281 etot -8.7892E+01 mv 2 75 59 132 0 + 4 e 336 306 etot -7.4776E+01 mv 1 75 100 -5 0 + 4 e 265 311 etot -8.6453E+01 mv 1 75 119 -181 0 + 4 e 540 284 etot -8.6431E+01 mv 2 75 59 32 0 + 4 e 375 304 etot -7.5905E+01 mv 1 75 60 -42 0 + 4 e 317 313 etot -8.1358E+01 mv 1 75 119 -91 0 + 4 e 628 271 etot -8.3124E+01 mv 2 75 47 29 0 + 4 e 553 294 etot -8.5633E+01 mv 2 75 174 143 0 + 4 e 585 272 etot -8.2350E+01 mv 2 75 47 44 0 + 4 e 291 320 etot -8.3817E+01 mv 1 75 189 -155 0 + 4 e 455 309 etot -7.1466E+01 mv 1 75 100 -116 0 + 4 e 270 323 etot -8.1553E+01 mv 1 75 159 -199 0 + 4 e 622 293 etot -8.5633E+01 mv 2 75 174 194 0 + 4 e 273 316 etot -7.3106E+01 mv 1 75 189 -63 0 + 4 e 509 288 etot -8.7591E+01 mv 2 75 200 -185 0 + 4 e 431 314 etot -6.9993E+01 mv 1 75 119 -180 0 + 4 e 453 312 etot -7.5133E+01 mv 1 75 119 -102 0 + 4 e 380 319 etot -8.3816E+01 mv 1 75 189 -193 0 + 4 e 396 301 etot -8.2760E+01 mv 1 75 60 -9 0 + 4 e 348 326 etot -8.9292E+01 mv 1 75 168 -178 0 + 4 e 183 333 etot -8.9075E+01 mv 1 75 161 144 0 + 4 e 214 339 etot -8.8964E+01 mv 1 75 8 84 0 + 4 e 419 325 etot -8.2301E+01 mv 1 75 159 -59 0 + -1 e 1 355 etot 1.3528E+20 mv 1 75 1 -23 0 + 4 e 330 332 etot -8.8505E+01 mv 1 75 161 126 0 + 4 e 452 321 etot -7.9727E+01 mv 1 75 159 141 0 + 4 e 473 302 etot -8.3937E+01 mv 1 75 60 -112 0 + 4 e 350 331 etot -7.8838E+01 mv 1 75 161 -118 0 + 4 e 124 346 etot -8.8207E+01 mv 1 75 101 -28 0 + 4 e 340 335 etot -7.6908E+01 mv 1 75 161 -31 0 + 4 e 445 328 etot -8.9398E+01 mv 1 75 168 -68 0 + 4 e 319 338 etot -8.0445E+01 mv 1 75 8 -100 0 + 4 e 550 324 etot -8.2025E+01 mv 1 75 159 -145 0 + 4 e 300 343 etot -8.5655E+01 mv 1 75 139 -165 0 + -1 e 1 366 etot 1.3528E+20 mv 1 75 36 -162 0 + 4 e 313 342 etot -8.1752E+01 mv 1 75 139 186 0 + 4 e 526 327 etot -8.9400E+01 mv 1 75 168 137 0 + 4 e 167 351 etot -8.8115E+01 mv 1 75 1 116 0 + 4 e 695 315 etot -7.9859E+01 mv 1 75 119 -190 0 + -1 e 1 369 etot 1.3528E+20 mv 1 75 36 -47 0 + 4 e 447 334 etot -8.9246E+01 mv 1 75 161 174 0 + -1 e 1 370 etot 1.1729E+23 mv 1 75 36 141 0 + 4 e 208 347 etot -8.8207E+01 mv 1 75 101 136 0 + 4 e 296 349 etot -8.8206E+01 mv 1 75 101 59 0 + 4 e 400 340 etot -8.9261E+01 mv 1 75 8 110 0 + 4 e 513 336 etot -7.6134E+01 mv 1 75 8 31 0 + 4 e 335 350 etot -8.8080E+01 mv 1 75 101 -155 0 + 4 e 499 337 etot -8.5882E+01 mv 1 75 8 -172 0 + -1 e 1 380 etot 1.3528E+20 mv 1 75 183 -132 0 + 4 e 221 360 etot -8.8568E+01 mv 1 75 196 -38 0 + 4 e 384 348 etot -8.8079E+01 mv 1 75 101 51 0 + 4 e 121 373 etot -8.7800E+01 mv 1 75 47 -157 0 c 47 6.3 0.1 + 4 e 299 354 etot -6.9670E+01 mv 1 75 1 -132 0 + 4 e 224 353 etot -8.8115E+01 mv 1 75 1 -128 0 + 4 e 280 358 etot -8.8871E+01 mv 1 75 196 -158 0 + 4 e 309 356 etot -8.8870E+01 mv 1 75 196 -48 0 + 4 e 465 330 etot -7.7998E+01 mv 1 75 168 7 0 + 4 e 475 345 etot -8.0904E+01 mv 1 75 139 93 0 + 4 e 278 362 etot -8.6958E+01 mv 1 75 124 -99 0 + 4 e 341 357 etot -8.1415E+01 mv 1 75 196 -164 0 + 4 e 207 368 etot -8.8215E+01 mv 1 75 36 -122 0 + 4 e 425 352 etot -8.0974E+01 mv 1 75 1 66 0 + -1 e 1 394 etot 1.3528E+20 mv 1 75 174 113 0 + 4 e 227 361 etot -8.8097E+01 mv 1 75 124 -171 0 + 4 e 568 344 etot -7.5234E+01 mv 1 75 139 -168 0 + 4 e 394 341 etot -8.8289E+01 mv 1 75 139 167 0 + 4 e 300 364 etot -8.6456E+01 mv 1 75 124 -121 0 + 4 e 248 371 etot -8.7719E+01 mv 1 75 47 -28 0 + 4 e 172 379 etot -8.7603E+01 mv 1 75 183 117 0 + 4 e 157 383 etot -8.7971E+01 mv 1 75 59 -106 0 c 59 1.5 0.1 + 4 e 659 318 etot -7.8672E+01 mv 1 75 189 -79 0 + 4 e 179 385 etot -8.7893E+01 mv 1 75 59 -144 0 + 4 e 136 392 etot -8.7383E+01 mv 1 75 174 126 0 + 4 e 136 395 etot -6.6562E+01 mv 1 75 174 77 0 + 4 e 349 372 etot -8.7719E+01 mv 1 75 47 -130 0 + 4 e 18 406 etot -8.9400E+01 mv 0 75 168 0 0 c 168 0.0 0.0 + 4 e 114 402 etot -8.5612E+01 mv 0 75 100 0 0 + 4 e 2 409 etot -8.8359E+01 mv 0 75 139 0 0 + 4 e 416 365 etot -8.7072E+01 mv 1 75 124 -23 0 + 4 e 18 408 etot -8.9262E+01 mv 0 75 8 0 0 + 4 e 2 411 etot -8.8115E+01 mv 0 75 1 0 0 + 4 e 346 359 etot -8.8870E+01 mv 1 75 196 60 0 + 4 e 10 410 etot -8.8207E+01 mv 0 75 101 0 0 c 101 0.0 0.0 + 4 e 40 407 etot -8.9075E+01 mv 0 75 161 0 0 c 161 0.0 0.0 + 4 e 2 413 etot -8.8097E+01 mv 0 75 124 0 0 + 4 e 450 363 etot -8.7838E+01 mv 1 75 124 -156 0 + 4 e 2 418 etot -8.7592E+01 mv 0 75 200 0 0 + 4 e 2 416 etot -8.7603E+01 mv 0 75 183 0 0 +## N0 total= 24 close= 12 far= 0 %acc 50.0 +## N1 total= 96 close= 2 far= 0 %acc 2.1 +## N2 total= 100 close= 1 far= 0 %acc 1.0 +## N3 total= 0 close= 0 far= 0 %acc 0.0 +## N4 total= 0 close= 0 far= 0 %acc 0.0 +## N5 total= 0 close= 0 far= 0 %acc 0.0 +## N6 total= 200 close= 13 far= 0 %acc 6.5 +## N7 total= 0 close= 0 far= 0 %acc 0.0 +## N8 total= 0 close= 0 far= 0 %acc 0.0 +## N9 total= 0 close= 0 far= 0 %acc 0.0 +##N10 total= 0 close= 0 far= 0 %acc 0.0 +##N11 total= 0 close= 0 far= 0 %acc 0.0 +##N12 total= 0 close= 0 far= 0 %acc 0.0 +##N13 total= 0 close= 0 far= 0 %acc 0.0 +##N14 total= 0 close= 0 far= 0 %acc 0.0 +##N15 total= 0 close= 0 far= 0 %acc 0.0 +##N16 total= 0 close= 0 far= 0 %acc 0.0 +##N17 total= 0 close= 0 far= 0 %acc 0.0 +##N18 total= 0 close= 0 far= 0 %acc 0.0 + Time for refresh 76 0.30 + make_var : nseed= 20 ntry= 420 + Time for make trial 77 0.07 +Nonsetup time 150.57 sec, Eval/s = 64630.22 +Time for iter 77 1.78 sec, Eval/s = 68024.70 + UPDATING 420 + 4 e 312 381 etot -8.7892E+01 mv 1 75 59 39 0 + 4 e 494 367 etot -7.5484E+01 mv 1 75 36 197 0 + 4 e 98 415 etot -8.7719E+01 mv 0 75 47 0 0 + 4 e 2 419 etot -8.7384E+01 mv 0 75 174 0 0 + 4 e 408 384 etot -8.7892E+01 mv 1 75 59 -103 0 + 4 e 100 404 etot -8.3817E+01 mv 0 75 189 0 0 + 4 e 161 400 etot -8.7381E+01 mv 1 75 41 109 0 + 4 e 299 391 etot -8.7184E+01 mv 1 75 174 -87 0 + 4 e 199 397 etot -8.6497E+01 mv 1 75 41 135 0 + 4 e 290 382 etot -8.6177E+01 mv 1 75 59 -108 0 + 4 e 159 401 etot -8.3938E+01 mv 0 75 60 0 0 c 60 2.0 0.0 + 4 e 240 388 etot -8.6775E+01 mv 1 75 200 198 0 + 4 e 13 412 etot -8.8871E+01 mv 0 75 196 0 0 c 196 0.0 0.0 + 4 e 2 420 etot -8.7381E+01 mv 0 75 41 0 0 + 4 e 574 377 etot -7.3444E+01 mv 1 75 183 -82 0 + 4 e 103 417 etot -8.7893E+01 mv 0 75 59 0 0 + 4 e 281 390 etot -6.6528E+01 mv 1 75 200 -62 0 + -1 e 1 9 etot 1.3528E+20 mv 6 76 47 38 0 + 4 e 324 393 etot -7.3206E+01 mv 1 75 174 104 0 + 4 e 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302 350 etot -8.7708E+01 mv 1 76 139 -93 0 + -1 e 1 391 etot 1.3528E+20 mv 1 76 38 -31 0 + 4 e 258 370 etot -8.1207E+01 mv 1 76 200 -168 0 + 4 e 224 375 etot -8.7308E+01 mv 1 76 180 -36 0 + 4 e 489 343 etot -7.6266E+01 mv 1 76 24 -164 0 + 4 e 171 380 etot -8.7884E+01 mv 1 76 124 -76 0 + 4 e 329 364 etot -8.7602E+01 mv 1 76 183 -57 0 + 4 e 253 373 etot -8.7308E+01 mv 1 76 180 -200 0 + -1 e 1 398 etot 1.3528E+20 mv 1 76 81 -200 0 + 4 e 302 366 etot -8.7592E+01 mv 1 76 200 158 0 + 4 e 282 356 etot -8.7937E+01 mv 1 76 1 18 0 + 8 e 33 390 etot -6.3997E+01 mv 1 76 161 136 0 + 4 e 326 367 etot -8.7591E+01 mv 1 76 200 30 0 + 4 e 127 387 etot -7.3684E+01 mv 1 76 161 -78 0 + 4 e 466 354 etot -7.9955E+01 mv 1 76 36 154 0 + 4 e 518 345 etot -9.0760E+01 mv 1 76 24 -113 0 + 4 e 289 374 etot -8.4543E+01 mv 1 76 180 -33 0 + 4 e 523 328 etot -8.3293E+01 mv 1 76 108 -195 0 + 4 e 245 379 etot -8.1627E+01 mv 1 76 124 -37 0 + 4 e 2 409 etot -9.0761E+01 mv 0 76 24 0 0 + 4 e 2 410 etot -8.8359E+01 mv 0 76 139 0 0 + 4 e 297 376 etot -8.4054E+01 mv 1 76 124 -151 0 + 4 e 2 411 etot -8.8216E+01 mv 0 76 36 0 0 + 4 e 2 412 etot -8.8115E+01 mv 0 76 1 0 0 + 4 e 2 413 etot -8.7603E+01 mv 0 76 183 0 0 + 4 e 657 339 etot -8.2368E+01 mv 1 76 189 -67 0 + 4 e 2 414 etot -8.7592E+01 mv 0 76 200 0 0 + 4 e 2 416 etot -8.8097E+01 mv 0 76 124 0 0 + 4 e 192 385 etot -8.8104E+01 mv 1 76 122 4 0 + 4 e 61 401 etot -8.7801E+01 mv 0 76 47 0 0 c 47 0.3 0.0 +## N0 total= 18 close= 5 far= 0 %acc 27.8 +## N1 total= 102 close= 3 far= 0 %acc 2.9 +## N2 total= 100 close= 1 far= 0 %acc 1.0 +## N3 total= 0 close= 0 far= 0 %acc 0.0 +## N4 total= 0 close= 0 far= 0 %acc 0.0 +## N5 total= 0 close= 0 far= 0 %acc 0.0 +## N6 total= 200 close= 12 far= 0 %acc 6.0 +## N7 total= 0 close= 0 far= 0 %acc 0.0 +## N8 total= 0 close= 0 far= 0 %acc 0.0 +## N9 total= 0 close= 0 far= 0 %acc 0.0 +##N10 total= 0 close= 0 far= 0 %acc 0.0 +##N11 total= 0 close= 0 far= 0 %acc 0.0 +##N12 total= 0 close= 0 far= 0 %acc 0.0 +##N13 total= 0 close= 0 far= 0 %acc 0.0 +##N14 total= 0 close= 0 far= 0 %acc 0.0 +##N15 total= 0 close= 0 far= 0 %acc 0.0 +##N16 total= 0 close= 0 far= 0 %acc 0.0 +##N17 total= 0 close= 0 far= 0 %acc 0.0 +##N18 total= 0 close= 0 far= 0 %acc 0.0 + Time for refresh 77 0.27 + make_var : nseed= 20 ntry= 420 + Time for make trial 78 0.08 +Nonsetup time 152.26 sec, Eval/s = 64649.64 +Time for iter 78 1.69 sec, Eval/s = 66378.49 + UPDATING 420 + 4 e 330 383 etot -8.7126E+01 mv 1 76 122 -195 0 + 4 e 16 418 etot -8.9075E+01 mv 0 76 161 0 0 c 161 0.0 0.0 + 4 e 87 407 etot -8.3482E+01 mv 0 76 156 0 0 + 4 e 491 369 etot -8.7343E+01 mv 1 76 200 122 0 + 4 e 379 372 etot -8.0462E+01 mv 1 76 180 -92 0 + 4 e 344 394 etot -7.4072E+01 mv 1 76 38 168 0 + 4 e 69 406 etot -8.6115E+01 mv 0 76 108 0 0 c 108 0.5 0.0 + 4 e 101 405 etot -8.7417E+01 mv 0 76 100 0 0 + 4 e 229 395 etot -8.7217E+01 mv 1 76 38 89 0 + 4 e 422 396 etot -7.9076E+01 mv 1 76 81 178 0 + 4 e 69 417 etot -8.8104E+01 mv 0 76 122 0 0 c 122 0.4 0.0 + 4 e 228 397 etot -8.7211E+01 mv 1 76 81 148 0 + 4 e 190 399 etot -7.1769E+01 mv 1 76 81 89 0 + 4 e 139 403 etot -9.0783E+01 mv 0 76 67 0 0 c 67 1.6 0.0 + 4 e 327 377 etot -8.8096E+01 mv 1 76 124 37 0 + 4 e 184 400 etot -8.7211E+01 mv 1 76 81 192 0 + 4 e 82 402 etot -8.7971E+01 mv 0 76 59 0 0 c 59 0.3 0.0 + 4 e 190 404 etot -8.9230E+01 mv 0 76 96 0 0 c 96 2.8 0.0 + 4 e 28 415 etot -8.7309E+01 mv 0 76 180 0 0 c 180 0.0 0.0 + 4 e 2 419 etot -8.7217E+01 mv 0 76 38 0 0 + 4 e 330 389 etot -7.9743E+01 mv 1 76 161 -5 0 + 4 e 144 393 etot -8.7217E+01 mv 1 76 38 -101 0 + 4 e 343 386 etot -8.0479E+01 mv 1 76 161 -94 0 + 4 e 527 340 etot -7.9182E+01 mv 1 76 189 -64 0 + 4 e 485 381 etot -8.8103E+01 mv 1 76 122 -132 0 + 4 e 557 384 etot -7.9044E+01 mv 1 76 122 -23 0 + 4 e 264 382 etot -8.8103E+01 mv 1 76 122 34 0 + 4 e 104 408 etot -8.4112E+01 mv 0 76 189 0 0 + 4 e 2 420 etot -8.7212E+01 mv 0 76 81 0 0 + 4 e 379 392 etot -7.8460E+01 mv 1 76 38 75 0 + 4 e 291 388 etot -8.9072E+01 mv 1 76 161 -155 0 + -1 e 1 24 etot 1.3528E+20 mv 6 77 156 46 0 + -1 e 1 31 etot 1.3528E+20 mv 6 77 184 86 0 + -1 e 1 14 etot 1.3528E+20 mv 6 77 144 44 0 + 4 e 101 28 etot -8.6149E+01 mv 6 77 156 28 0 c 28 0.7 0.0 + 4 e 146 33 etot -8.6064E+01 mv 6 77 184 23 0 c 184 28.9 0.3 + 4 e 50 36 etot -9.0337E+01 mv 6 77 184 40 0 c 40 0.4 0.0 + -1 e 1 37 etot 1.3528E+20 mv 6 77 184 105 0 + 4 e 207 26 etot -7.4525E+01 mv 6 77 156 12 0 + 4 e 207 1 etot -8.8414E+01 mv 6 77 100 124 0 + 4 e 226 21 etot -7.2243E+01 mv 6 77 156 114 0 + 4 e 232 32 etot -8.4043E+01 mv 6 77 184 147 0 + 4 e 227 19 etot -8.6437E+01 mv 6 77 144 135 0 + 4 e 226 12 etot -8.7308E+01 mv 6 77 144 180 0 + 4 e 238 10 etot -8.2977E+01 mv 6 77 100 133 0 + 4 e 243 27 etot -8.3089E+01 mv 6 77 156 155 0 + 4 e 237 18 etot -8.6231E+01 mv 6 77 144 30 0 + -1 e 1 47 etot 1.3528E+20 mv 6 77 189 123 0 + 4 e 263 20 etot -7.5927E+01 mv 6 77 144 131 0 + 4 e 260 7 etot -7.3044E+01 mv 6 77 100 69 0 + 4 e 258 2 etot -8.8285E+01 mv 6 77 100 69 0 + 4 e 253 15 etot -8.4570E+01 mv 6 77 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e 207 57 etot -7.7334E+01 mv 6 77 12 84 0 + 4 e 287 61 etot -8.4433E+01 mv 6 77 40 172 0 + 4 e 213 68 etot -7.3586E+01 mv 6 77 40 198 0 + 4 e 297 44 etot -8.4721E+01 mv 6 77 189 131 0 + 4 e 489 34 etot -7.7734E+01 mv 6 77 184 19 0 + -1 e 1 78 etot 1.3528E+20 mv 6 77 36 34 0 + 4 e 307 41 etot -8.3393E+01 mv 6 77 189 191 0 + 4 e 2 79 etot -8.7008E+01 mv 6 77 36 90 0 + 4 e 379 50 etot -7.1555E+01 mv 6 77 189 70 0 + 4 e 272 45 etot -7.9717E+01 mv 6 77 189 22 0 + 4 e 247 66 etot -8.8557E+01 mv 6 77 40 81 0 + 4 e 252 64 etot -9.0080E+01 mv 6 77 40 172 0 + 4 e 368 42 etot -7.3464E+01 mv 6 77 189 185 0 + 4 e 363 46 etot -8.7255E+01 mv 6 77 189 162 0 + 4 e 605 16 etot -8.1051E+01 mv 6 77 144 28 0 + 4 e 374 43 etot -8.0652E+01 mv 6 77 189 164 0 + 4 e 172 74 etot -8.6115E+01 mv 6 77 36 108 0 + 4 e 412 49 etot -8.7685E+01 mv 6 77 189 139 0 + 4 e 325 69 etot -9.0080E+01 mv 6 77 40 142 0 + 4 e 673 11 etot -8.7808E+01 mv 6 77 144 185 0 + 4 e 470 62 etot -8.2171E+01 mv 6 77 40 170 0 + -1 e 1 94 etot 1.3528E+20 mv 6 77 59 58 0 + 4 e 180 72 etot -8.8215E+01 mv 6 77 36 199 0 + 4 e 448 38 etot -7.3985E+01 mv 6 77 184 154 0 + 4 e 505 51 etot -7.4903E+01 mv 6 77 12 88 0 + -1 e 1 98 etot 1.3528E+20 mv 6 77 59 199 0 + 4 e 411 58 etot -7.7538E+01 mv 6 77 12 76 0 + -1 e 1 100 etot 1.3528E+20 mv 6 77 59 45 0 + 4 e 239 73 etot -8.8215E+01 mv 6 77 36 194 0 + -1 e 1 102 etot 1.3528E+20 mv 6 77 101 172 0 + 4 e 195 81 etot -7.3688E+01 mv 6 77 1 93 0 + 4 e 645 17 etot -7.8848E+01 mv 6 77 144 119 0 + -1 e 1 105 etot 1.3528E+20 mv 6 77 101 108 0 + 4 e 204 84 etot -7.7518E+01 mv 6 77 1 94 0 + -1 e 1 107 etot 1.3528E+20 mv 6 77 101 92 0 + 4 e 128 91 etot -8.6050E+01 mv 6 77 59 179 0 + 4 e 512 39 etot -7.5981E+01 mv 6 77 184 42 0 + -1 e 1 109 etot 1.3528E+20 mv 6 77 101 3 0 + -1 e 1 111 etot 1.3528E+20 mv 6 77 196 171 0 + 4 e 275 80 etot -7.3687E+01 mv 6 77 36 71 0 + 4 e 439 56 etot -8.4065E+01 mv 6 77 12 176 0 + 4 e 328 76 etot -8.1934E+01 mv 6 77 36 199 0 + 4 e 531 48 etot -8.6205E+01 mv 6 77 189 153 0 + -1 e 1 116 etot 1.3528E+20 mv 6 77 196 44 0 + 4 e 353 77 etot -7.2656E+01 mv 6 77 36 49 0 + 4 e 669 59 etot -8.7229E+01 mv 6 77 12 44 0 + 4 e 459 60 etot -8.0364E+01 mv 6 77 12 45 0 + -1 e 1 120 etot 1.3528E+20 mv 6 77 196 85 0 + -1 e 1 121 etot 1.3528E+20 mv 6 77 47 150 0 + 4 e 214 93 etot -7.4950E+01 mv 6 77 59 161 0 + 4 e 173 103 etot -6.6669E+01 mv 6 77 101 191 0 + 4 e 451 65 etot -8.0824E+01 mv 6 77 40 58 0 + 4 e 454 71 etot -8.2922E+01 mv 6 77 36 99 0 + 4 e 257 89 etot -8.8115E+01 mv 6 77 1 32 0 + 4 e 410 82 etot -7.7231E+01 mv 6 77 1 6 0 + 4 e 405 83 etot -8.9211E+01 mv 6 77 1 34 0 + 4 e 296 96 etot -7.5097E+01 mv 6 77 59 62 0 + 4 e 257 104 etot -7.6445E+01 mv 6 77 101 114 0 + 4 e 291 99 etot -8.9865E+01 mv 6 77 59 145 0 c 152 3.4 0.1 + 4 e 522 75 etot -7.4466E+01 mv 6 77 36 43 0 + 4 e 337 88 etot -7.7991E+01 mv 6 77 1 156 0 + -1 e 1 134 etot 1.3528E+20 mv 6 77 124 21 0 + 4 e 140 124 etot -8.6783E+01 mv 6 77 47 65 0 + 4 e 315 85 etot -7.5034E+01 mv 6 77 1 149 0 + 4 e 182 117 etot -8.8871E+01 mv 6 77 196 122 0 + 4 e 2 138 etot -8.7217E+01 mv 6 77 124 38 0 + -1 e 1 139 etot 1.3528E+20 mv 6 77 124 103 0 + -1 e 1 140 etot 1.3528E+20 mv 6 77 124 86 0 + 4 e 260 113 etot -8.7442E+01 mv 6 77 196 8 0 + 4 e 269 86 etot -7.8330E+01 mv 6 77 1 160 0 + 4 e 391 92 etot -8.9387E+01 mv 6 77 59 117 0 + 4 e 366 101 etot -8.4392E+01 mv 6 77 101 89 0 + 4 e 440 95 etot -7.2723E+01 mv 6 77 59 165 0 + 4 e 305 97 etot -8.7218E+01 mv 6 77 59 25 0 + 4 e 345 108 etot -8.7119E+01 mv 6 77 101 162 0 + 4 e 219 114 etot -8.8167E+01 mv 6 77 196 101 0 + 4 e 187 125 etot -7.2258E+01 mv 6 77 47 57 0 + -1 e 1 150 etot 1.3528E+20 mv 6 77 8 67 0 + 4 e 423 106 etot -8.5646E+01 mv 6 77 101 34 0 + 4 e 306 119 etot -8.3218E+01 mv 6 77 196 13 0 + 4 e 558 90 etot -6.9469E+01 mv 6 77 1 187 0 + 4 e 403 112 etot -7.5608E+01 mv 6 77 196 185 0 + 4 e 10 155 etot -8.4291E+01 mv 6 77 183 178 0 c 178 0.0 0.0 + 4 e 361 115 etot -8.8166E+01 mv 6 77 196 72 0 + 4 e 248 130 etot -7.2116E+01 mv 6 77 47 188 0 + -1 e 1 158 etot 1.3528E+20 mv 6 77 183 123 0 + 4 e 186 141 etot -8.7603E+01 mv 6 77 8 183 0 + 4 e 252 133 etot -8.8080E+01 mv 6 77 124 101 0 + 4 e 286 131 etot -8.4208E+01 mv 6 77 124 118 0 + 4 e 283 132 etot -8.3219E+01 mv 6 77 124 69 0 f 91 354.3 0.3 + 4 e 352 128 etot -8.3348E+01 mv 6 77 47 164 0 f 163 407.1 0.4 + -1 e 1 164 etot 1.3528E+20 mv 6 77 200 68 0 + -1 e 1 165 etot 1.3528E+20 mv 6 77 200 175 0 + 4 e 446 123 etot -7.9509E+01 mv 6 77 47 109 0 + 4 e 372 110 etot -8.5690E+01 mv 6 77 101 45 0 + 4 e 498 118 etot -8.8627E+01 mv 6 77 196 140 0 + 4 e 240 146 etot -8.5614E+01 mv 6 77 8 97 0 + 4 e 319 136 etot -8.3764E+01 mv 6 77 124 90 0 + 4 e 280 145 etot -9.0276E+01 mv 6 77 8 27 0 + 4 e 211 152 etot -7.2825E+01 mv 6 77 183 23 0 + 4 e 365 122 etot -8.4648E+01 mv 6 77 47 197 0 + 4 e 384 135 etot -8.9096E+01 mv 6 77 124 109 0 + 4 e 236 154 etot -8.7603E+01 mv 6 77 183 79 0 + -1 e 1 176 etot 1.3528E+20 mv 6 77 122 181 0 + 4 e 202 147 etot -9.0277E+01 mv 6 77 8 71 0 + 4 e 385 142 etot -7.5922E+01 mv 6 77 8 98 0 + 4 e 308 148 etot -8.9786E+01 mv 6 77 8 115 0 + 4 e 286 137 etot -8.7883E+01 mv 6 77 124 78 0 + -1 e 1 181 etot 1.3528E+20 mv 6 77 174 53 0 + 4 e 570 126 etot -8.0765E+01 mv 6 77 47 146 0 + 4 e 293 153 etot -8.0846E+01 mv 6 77 183 115 0 + 4 e 301 156 etot -8.2187E+01 mv 6 77 183 130 0 + -1 e 1 185 etot 1.2678E+21 mv 6 77 174 21 0 + 4 e 298 157 etot -7.7086E+01 mv 6 77 183 155 0 + -1 e 1 187 etot 1.3528E+20 mv 6 77 174 66 0 + -1 e 1 188 etot 2.8785E+24 mv 6 77 174 79 0 + 4 e 288 160 etot -8.7603E+01 mv 6 77 183 40 0 + 4 e 307 159 etot -7.7574E+01 mv 6 77 183 121 0 + 4 e 579 129 etot -8.7798E+01 mv 6 77 47 1 0 + 4 e 561 87 etot -8.7936E+01 mv 6 77 1 60 0 + 4 e 235 166 etot -7.1382E+01 mv 6 77 200 87 0 + 4 e 337 161 etot -8.0481E+01 mv 6 77 200 179 0 + 4 e 651 127 etot -8.7799E+01 mv 6 77 47 113 0 + -1 e 1 195 etot 1.3528E+20 mv 6 77 41 112 0 + 4 e 339 149 etot -8.5930E+01 mv 6 77 8 30 0 + 4 e 225 175 etot -8.8147E+01 mv 6 77 122 42 0 + 4 e 203 180 etot 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173 etot -8.9159E+01 mv 6 77 122 6 0 + 4 e 293 194 etot -8.7380E+01 mv 6 77 41 105 0 + 4 e 510 171 etot -7.7666E+01 mv 6 77 122 21 0 + 4 e 379 168 etot -8.7591E+01 mv 6 77 200 80 0 + 4 e 308 178 etot -8.5594E+01 mv 6 77 122 51 0 + 4 e 189 198 etot -7.6016E+01 mv 6 77 41 18 0 + 4 e 574 170 etot -7.9608E+01 mv 6 77 200 180 0 + 4 e 510 179 etot -8.8408E+01 mv 6 77 122 76 0 + 4 e 299 201 etot -8.6986E+01 mv 2 77 100 -184 0 + 4 e 406 192 etot -8.7859E+01 mv 6 77 41 10 0 + 4 e 289 203 etot -7.4581E+01 mv 2 77 100 -65 0 + 4 e 255 208 etot -7.3278E+01 mv 2 77 144 -90 0 + 4 e 306 202 etot -8.0987E+01 mv 2 77 100 -171 0 + 4 e 246 211 etot -7.1890E+01 mv 2 77 156 -44 0 + -1 e 1 234 etot 1.3528E+20 mv 2 77 40 -140 0 + 4 e 418 174 etot -8.5870E+01 mv 6 77 122 37 0 + 4 e 324 205 etot -8.8414E+01 mv 2 77 100 -74 0 + 4 e 191 221 etot -8.0384E+01 mv 2 77 189 -178 0 + 4 e 243 218 etot -4.9657E+01 mv 2 77 184 -134 0 + 4 e 296 214 etot -7.3448E+01 mv 2 77 156 -117 0 + 4 e 428 199 etot -8.3720E+01 mv 6 77 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mv 2 77 12 -111 0 + 4 e 306 224 etot -8.5641E+01 mv 2 77 189 -7 0 c 189 6.9 0.0 + 4 e 129 256 etot -6.3818E+01 mv 2 77 196 28 0 + 4 e 166 251 etot -8.8207E+01 mv 2 77 101 -34 0 + 4 e 152 254 etot -8.8207E+01 mv 2 77 101 186 0 + 4 e 382 232 etot -7.3334E+01 mv 2 77 40 -46 0 + -1 e 1 266 etot 1.3528E+20 mv 2 77 124 74 0 + -1 e 1 268 etot 1.3528E+20 mv 2 77 124 -51 0 + 4 e 264 244 etot -8.8115E+01 mv 2 77 1 195 0 + 4 e 260 245 etot -8.8115E+01 mv 2 77 1 2 0 + 4 e 317 240 etot -8.0335E+01 mv 2 77 36 175 0 + 4 e 702 209 etot -7.5959E+01 mv 2 77 144 -117 0 + 4 e 171 250 etot -8.7971E+01 mv 2 77 59 126 0 c 59 0.6 0.0 + 4 e 350 243 etot -8.0975E+01 mv 2 77 1 13 0 + 4 e 465 217 etot -7.0521E+01 mv 2 77 184 -56 0 + 4 e 332 248 etot -8.1454E+01 mv 2 77 59 -65 0 + 4 e 198 261 etot -8.7800E+01 mv 2 77 47 12 0 + 4 e 433 239 etot -8.3499E+01 mv 2 77 36 159 0 + 4 e 624 193 etot -9.1813E+01 mv 6 77 41 117 0 + 4 e 415 246 etot -8.7970E+01 mv 2 77 59 183 0 + 4 e 603 228 etot -7.2037E+01 mv 2 77 12 -142 0 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2 77 200 150 0 + 4 e 520 236 etot -8.4361E+01 mv 2 77 36 154 0 + 4 e 348 275 etot -7.7203E+01 mv 2 77 8 -3 0 + 4 e 401 272 etot -6.8605E+01 mv 2 77 8 -158 0 + -1 e 1 306 etot 1.3528E+20 mv 1 77 144 -66 0 + 4 e 434 269 etot -6.9145E+01 mv 2 77 124 -50 0 + 4 e 266 281 etot -8.7592E+01 mv 2 77 200 27 0 + -1 e 1 308 etot 1.3528E+20 mv 1 77 144 -3 0 + 4 e 311 279 etot -7.5249E+01 mv 2 77 183 38 0 + 4 e 194 291 etot -7.7541E+01 mv 2 77 174 149 0 + -1 e 1 312 etot 1.3528E+20 mv 1 77 156 -40 0 + -1 e 1 313 etot 1.3528E+20 mv 1 77 156 -5 0 + 4 e 233 287 etot -7.5129E+01 mv 2 77 122 45 0 + 4 e 171 295 etot -8.5919E+01 mv 2 77 174 -96 0 + 4 e 263 276 etot -8.6138E+01 mv 2 77 183 -39 0 + 4 e 464 273 etot -8.5237E+01 mv 2 77 8 58 0 c 102 344.1 0.3 + 4 e 320 283 etot -8.7592E+01 mv 2 77 200 -123 0 + -1 e 1 319 etot 1.3528E+20 mv 1 77 184 -30 0 + 4 e 270 289 etot -8.8104E+01 mv 2 77 122 75 0 + 4 e 541 267 etot -8.4043E+01 mv 2 77 124 60 0 + -1 e 1 322 etot 1.3528E+20 mv 1 77 189 -15 0 + 4 e 451 277 etot -7.9342E+01 mv 2 77 183 -200 0 + 4 e 441 278 etot -7.7540E+01 mv 2 77 183 59 0 + 4 e 372 288 etot -7.6849E+01 mv 2 77 122 -158 0 + -1 e 1 326 etot 1.3528E+20 mv 1 77 12 -91 0 + 4 e 311 297 etot -7.8312E+01 mv 2 77 41 -29 0 + 4 e 208 298 etot -8.5802E+01 mv 2 77 41 46 0 + 4 e 238 305 etot -8.8415E+01 mv 1 77 100 -66 0 + 4 e 345 280 etot -8.7603E+01 mv 2 77 183 70 0 + 4 e 666 270 etot -8.8096E+01 mv 2 77 124 -193 0 + 4 e 270 293 etot -7.1286E+01 mv 2 77 174 -52 0 + 4 e 264 296 etot -8.4589E+01 mv 2 77 41 99 0 + 4 e 331 303 etot -7.5392E+01 mv 1 77 100 -164 0 + 4 e 256 316 etot -8.4745E+01 mv 1 77 184 -47 0 + 4 e 349 300 etot -8.7380E+01 mv 2 77 41 179 0 + 4 e 120 328 etot -6.0739E+01 mv 1 77 12 -102 0 + 4 e 194 317 etot -6.6871E+01 mv 1 77 184 -87 0 + 4 e 414 299 etot -8.0364E+01 mv 2 77 41 121 0 + 4 e 429 301 etot -8.8413E+01 mv 1 77 100 -171 0 + 4 e 361 311 etot -7.1009E+01 mv 1 77 156 -137 0 + 4 e 270 320 etot -8.5756E+01 mv 1 77 184 -92 0 + -1 e 1 341 etot 1.3528E+20 mv 1 77 1 161 0 + 4 e 339 314 etot -8.3928E+01 mv 1 77 156 -11 0 + 4 e 175 327 etot -8.4951E+01 mv 1 77 12 -163 0 + 4 e 345 315 etot -8.2643E+01 mv 1 77 156 -165 0 + 4 e 362 294 etot -7.5614E+01 mv 2 77 174 164 0 + 4 e 476 302 etot -8.0898E+01 mv 1 77 100 -31 0 + 4 e 419 310 etot -8.6820E+01 mv 1 77 144 -23 0 + 4 e 444 307 etot -8.6041E+01 mv 1 77 144 -179 0 + 4 e 232 330 etot -8.1588E+01 mv 1 77 12 -93 0 + 4 e 708 282 etot -8.2323E+01 mv 2 77 200 106 0 + 4 e 172 336 etot -8.8215E+01 mv 1 77 36 17 0 + 4 e 150 338 etot -8.8215E+01 mv 1 77 36 149 0 + 4 e 234 335 etot -9.0337E+01 mv 1 77 40 54 0 + 4 e 197 331 etot -9.0331E+01 mv 1 77 40 -52 0 + 4 e 183 340 etot -7.7227E+01 mv 1 77 36 -49 0 + 4 e 212 329 etot -6.7416E+01 mv 1 77 12 -42 0 + 4 e 540 284 etot -6.2272E+01 mv 2 77 200 -60 0 + 4 e 207 343 etot -8.8115E+01 mv 1 77 1 170 0 + 4 e 457 325 etot -8.0126E+01 mv 1 77 189 -89 0 + 4 e 579 309 etot -7.7276E+01 mv 1 77 144 -182 0 + -1 e 1 363 etot 1.3528E+20 mv 1 77 47 26 0 + 4 e 243 342 etot -6.9321E+01 mv 1 77 1 -175 0 + 4 e 242 344 etot -7.1652E+01 mv 1 77 1 -96 0 + -1 e 1 366 etot 1.3528E+20 mv 1 77 124 155 0 + 4 e 474 324 etot -8.4910E+01 mv 1 77 189 -170 0 + 4 e 399 332 etot -9.0336E+01 mv 1 77 40 88 0 + -1 e 1 369 etot 1.3528E+20 mv 1 77 124 195 0 + 4 e 161 355 etot -8.8207E+01 mv 1 77 101 -102 0 + 4 e 455 304 etot -8.1755E+01 mv 1 77 100 -95 0 + -1 e 1 371 etot 1.3528E+20 mv 1 77 8 -109 0 + 4 e 626 318 etot -7.7129E+01 mv 1 77 184 -117 0 + -1 e 1 374 etot 1.3528E+20 mv 1 77 8 -55 0 + 4 e 392 337 etot -8.8214E+01 mv 1 77 36 109 0 + 4 e 309 347 etot -8.9865E+01 mv 1 77 59 25 0 + -1 e 1 377 etot 1.3528E+20 mv 1 77 183 -154 0 + 4 e 622 323 etot -8.6231E+01 mv 1 77 189 -190 0 c 189 133.6 0.6 + 4 e 282 350 etot -8.7971E+01 mv 1 77 59 141 0 + 4 e 656 321 etot -7.9702E+01 mv 1 77 189 -94 0 + 4 e 203 356 etot -8.8871E+01 mv 1 77 196 -178 0 + 4 e 124 360 etot -8.8871E+01 mv 1 77 196 101 0 + 4 e 177 368 etot -8.8097E+01 mv 1 77 124 -156 0 + 4 e 318 353 etot -7.6870E+01 mv 1 77 101 -7 0 + 4 e 265 358 etot -8.2173E+01 mv 1 77 196 45 0 + 4 e 393 333 etot -9.1458E+01 mv 1 77 40 -140 0 + -1 e 1 387 etot 1.8249E+21 mv 1 77 122 -60 0 + 4 e 404 351 etot -8.8205E+01 mv 1 77 101 -153 0 + 4 e 167 375 etot -8.9262E+01 mv 1 77 8 -12 0 + 4 e 496 345 etot -8.2934E+01 mv 1 77 1 66 0 + 4 e 503 346 etot -8.6337E+01 mv 1 77 59 -187 0 + 4 e 418 354 etot -8.4768E+01 mv 1 77 101 -21 0 + 4 e 244 373 etot -8.9262E+01 mv 1 77 8 -140 0 + 4 e 325 361 etot -7.0490E+01 mv 1 77 47 -182 0 + 4 e 202 378 etot -8.7603E+01 mv 1 77 183 44 0 + 4 e 456 352 etot -8.8205E+01 mv 1 77 101 27 0 + 4 e 446 334 etot -8.9844E+01 mv 1 77 40 179 0 + 4 e 376 364 etot -8.7339E+01 mv 1 77 47 -109 0 + 4 e 357 367 etot -8.3243E+01 mv 1 77 124 52 0 + 4 e 214 372 etot -8.8964E+01 mv 1 77 8 196 0 + 4 e 532 349 etot -8.7969E+01 mv 1 77 59 -4 0 + 4 e 104 391 etot -8.7383E+01 mv 1 77 174 41 0 + 4 e 289 379 etot -8.7389E+01 mv 1 77 183 -146 0 + 4 e 436 365 etot -7.9538E+01 mv 1 77 47 -175 0 + 4 e 133 394 etot -7.2038E+01 mv 1 77 174 170 0 + 4 e 263 384 etot -7.7574E+01 mv 1 77 200 -94 0 + 4 e 90 402 etot -8.5976E+01 mv 0 77 144 0 0 c 144 0.9 0.0 + 4 e 2 408 etot -8.8216E+01 mv 0 77 36 0 0 + 4 e 2 409 etot -8.8115E+01 mv 0 77 1 0 0 + 4 e 50 406 etot -8.4951E+01 mv 0 77 12 0 0 c 12 0.3 0.0 + 4 e 2 411 etot -8.8207E+01 mv 0 77 101 0 0 + 4 e 349 381 etot -8.7591E+01 mv 1 77 200 -148 0 + 4 e 50 407 etot -9.0337E+01 mv 0 77 40 0 0 + 4 e 89 401 etot -8.8415E+01 mv 0 77 100 0 0 c 100 0.4 0.0 + 4 e 2 414 etot -8.8097E+01 mv 0 77 124 0 0 + 4 e 2 416 etot -8.7603E+01 mv 0 77 183 0 0 + 4 e 99 404 etot -8.5756E+01 mv 0 77 184 0 0 + 4 e 2 417 etot -8.7592E+01 mv 0 77 200 0 0 + 4 e 23 413 etot -8.7801E+01 mv 0 77 47 0 0 c 47 0.0 0.0 +## N0 total= 24 close= 11 far= 0 %acc 45.8 +## N1 total= 96 close= 1 far= 0 %acc 1.0 +## N2 total= 100 close= 3 far= 0 %acc 3.0 +## N3 total= 0 close= 0 far= 0 %acc 0.0 +## N4 total= 0 close= 0 far= 0 %acc 0.0 +## N5 total= 0 close= 0 far= 0 %acc 0.0 +## N6 total= 200 close= 6 far= 2 %acc 4.0 +## N7 total= 0 close= 0 far= 0 %acc 0.0 +## N8 total= 0 close= 0 far= 0 %acc 0.0 +## N9 total= 0 close= 0 far= 0 %acc 0.0 +##N10 total= 0 close= 0 far= 0 %acc 0.0 +##N11 total= 0 close= 0 far= 0 %acc 0.0 +##N12 total= 0 close= 0 far= 0 %acc 0.0 +##N13 total= 0 close= 0 far= 0 %acc 0.0 +##N14 total= 0 close= 0 far= 0 %acc 0.0 +##N15 total= 0 close= 0 far= 0 %acc 0.0 +##N16 total= 0 close= 0 far= 0 %acc 0.0 +##N17 total= 0 close= 0 far= 0 %acc 0.0 +##N18 total= 0 close= 0 far= 0 %acc 0.0 + Time for refresh 78 0.52 + make_var : nseed= 20 ntry= 420 + Time for make trial 79 0.07 +Nonsetup time 154.30 sec, Eval/s = 64606.90 +Time for iter 79 2.04 sec, Eval/s = 61421.40 + UPDATING 420 + 4 e 339 392 etot -8.1295E+01 mv 1 77 174 -90 0 + 4 e 247 395 etot -8.7183E+01 mv 1 77 174 -10 0 + 4 e 279 396 etot -8.4612E+01 mv 1 77 41 52 0 + 4 e 2 420 etot -8.7381E+01 mv 0 77 41 0 0 + 4 e 587 376 etot -8.3999E+01 mv 1 77 183 -32 0 + 4 e 175 405 etot -8.5642E+01 mv 0 77 189 0 0 + 4 e 254 399 etot -7.7943E+01 mv 1 77 41 184 0 + 4 e 69 418 etot -8.8104E+01 mv 0 77 122 0 0 + 4 e 602 370 etot -8.8096E+01 mv 1 77 124 -114 0 + 4 e 82 410 etot -8.7971E+01 mv 0 77 59 0 0 + 4 e 398 389 etot -7.9051E+01 mv 1 77 122 -150 0 + 4 e 29 412 etot -8.8871E+01 mv 0 77 196 0 0 c 196 0.1 0.0 + 4 e 372 393 etot -7.7851E+01 mv 1 77 174 8 0 + 4 e 432 382 etot -7.7833E+01 mv 1 77 200 13 0 + 4 e 453 380 etot -7.8635E+01 mv 1 77 183 -71 0 + -1 e 1 7 etot 1.3528E+20 mv 6 78 91 4 0 + 4 e 575 386 etot -8.7957E+01 mv 1 77 122 99 0 + 4 e 134 403 etot -8.4247E+01 mv 0 77 156 0 0 c 156 1.9 0.0 + 4 e 385 390 etot -8.6694E+01 mv 1 77 122 -96 0 + 4 e 591 400 etot -8.3164E+01 mv 1 77 41 -56 0 + 4 e 2 419 etot -8.7384E+01 mv 0 77 174 0 0 + 4 e 424 385 etot -7.5421E+01 mv 1 77 200 -23 0 + 4 e 328 397 etot -8.6686E+01 mv 1 77 41 -81 0 + 4 e 623 362 etot -6.9734E+01 mv 1 77 47 -61 0 + 4 e 499 359 etot -8.3196E+01 mv 1 77 196 -115 0 + 4 e 612 339 etot -7.9375E+01 mv 1 77 36 -28 0 + 4 e 720 383 etot -8.7591E+01 mv 1 77 200 -15 0 + 4 e 526 357 etot -8.2377E+01 mv 1 77 196 -87 0 + 4 e 282 398 etot -7.6857E+01 mv 1 77 41 -67 0 + 4 e 10 415 etot -8.9262E+01 mv 0 77 8 0 0 c 8 0.0 0.0 + 4 e 418 388 etot -8.3431E+01 mv 1 77 122 169 0 + 4 e 599 348 etot -8.7968E+01 mv 1 77 59 -4 0 + -1 e 1 30 etot 1.3528E+20 mv 6 78 152 60 0 + 4 e 12 9 etot -8.4917E+01 mv 6 78 91 115 0 c 115 0.0 0.0 + 4 e 169 4 etot -8.1923E+01 mv 6 78 91 135 0 + 4 e 186 34 etot -7.0687E+01 mv 6 78 163 159 0 + 4 e 224 2 etot -8.4156E+01 mv 6 78 91 54 0 + 4 e 239 15 etot -8.4953E+01 mv 6 78 102 90 0 + 4 e 243 10 etot -8.5477E+01 mv 6 78 91 11 0 c 171 88.8 0.0 + 4 e 235 18 etot -7.7693E+01 mv 6 78 102 52 0 + -1 e 1 38 etot 1.3528E+20 mv 6 78 163 79 0 + 4 e 245 17 etot -8.5239E+01 mv 6 78 102 22 0 c 102 2.5 0.0 + 4 e 270 5 etot -7.3083E+01 mv 6 78 91 132 0 + 4 e 265 21 etot -8.3001E+01 mv 6 78 152 69 0 + 4 e 300 29 etot -8.2250E+01 mv 6 78 152 153 0 + 4 e 295 13 etot -8.5931E+01 mv 6 78 102 12 0 + -1 e 1 46 etot 1.3528E+20 mv 6 78 184 146 0 + 4 e 278 11 etot -8.5573E+01 mv 6 78 102 182 0 + 4 e 310 23 etot -8.0789E+01 mv 6 78 152 138 0 + 4 e 325 8 etot -7.7680E+01 mv 6 78 91 61 0 + 4 e 348 6 etot -8.7838E+01 mv 6 78 91 192 0 + 4 e 354 16 etot -7.9978E+01 mv 6 78 102 91 0 + 4 e 32 52 etot -8.6293E+01 mv 6 78 189 107 0 c 107 0.1 0.0 + 4 e 376 12 etot -7.6186E+01 mv 6 78 102 6 0 + 4 e 368 3 etot -8.7839E+01 mv 6 78 91 54 0 + 4 e 160 37 etot -8.1919E+01 mv 6 78 163 73 0 + 4 e 216 36 etot -8.3350E+01 mv 6 78 163 32 0 c 163 4.3 0.0 + -1 e 1 57 etot 1.3528E+20 mv 6 78 189 24 0 + 4 e 425 22 etot -8.5228E+01 mv 6 78 152 95 0 + 4 e 449 19 etot -8.5930E+01 mv 6 78 102 41 0 + -1 e 1 60 etot 1.3528E+20 mv 6 78 189 141 0 + 4 e 236 43 etot -8.6063E+01 mv 6 78 184 63 0 + 4 e 433 31 etot -7.6195E+01 mv 6 78 163 174 0 + 4 e 439 33 etot -8.0655E+01 mv 6 78 163 120 0 + 4 e 17 63 etot -8.5580E+01 mv 6 78 98 198 0 c 198 0.0 0.0 + 4 e 443 24 etot -8.5713E+01 mv 6 78 152 144 0 + 4 e 464 32 etot -7.5973E+01 mv 6 78 163 154 0 + -1 e 1 67 etot 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78 100 0 0 c 100 0.0 0.0 + 4 e 2 415 etot -8.7592E+01 mv 0 78 200 0 0 + 4 e 2 417 etot -8.7384E+01 mv 0 78 174 0 0 +## N0 total= 18 close= 6 far= 0 %acc 33.3 +## N1 total= 102 close= 3 far= 0 %acc 2.9 +## N2 total= 100 close= 2 far= 0 %acc 2.0 +## N3 total= 0 close= 0 far= 0 %acc 0.0 +## N4 total= 0 close= 0 far= 0 %acc 0.0 +## N5 total= 0 close= 0 far= 0 %acc 0.0 +## N6 total= 200 close= 12 far= 0 %acc 6.0 +## N7 total= 0 close= 0 far= 0 %acc 0.0 +## N8 total= 0 close= 0 far= 0 %acc 0.0 +## N9 total= 0 close= 0 far= 0 %acc 0.0 +##N10 total= 0 close= 0 far= 0 %acc 0.0 +##N11 total= 0 close= 0 far= 0 %acc 0.0 +##N12 total= 0 close= 0 far= 0 %acc 0.0 +##N13 total= 0 close= 0 far= 0 %acc 0.0 +##N14 total= 0 close= 0 far= 0 %acc 0.0 +##N15 total= 0 close= 0 far= 0 %acc 0.0 +##N16 total= 0 close= 0 far= 0 %acc 0.0 +##N17 total= 0 close= 0 far= 0 %acc 0.0 +##N18 total= 0 close= 0 far= 0 %acc 0.0 + Time for refresh 79 0.27 + make_var : nseed= 20 ntry= 420 + Time for make trial 80 0.04 +Nonsetup time 155.99 sec, Eval/s = 64657.23 +Time for iter 80 1.69 sec, Eval/s = 69259.26 + UPDATING 420 + 4 e 427 388 etot -7.8271E+01 mv 1 78 41 14 0 + 4 e 66 405 etot -8.6064E+01 mv 0 78 184 0 0 + 4 e 320 386 etot -8.3488E+01 mv 1 78 41 177 0 + 4 e 284 396 etot -7.7941E+01 mv 1 78 180 125 0 + 4 e 190 400 etot -8.7308E+01 mv 1 78 180 61 0 + 4 e 2 418 etot -8.7381E+01 mv 0 78 41 0 0 + 4 e 90 403 etot -8.9865E+01 mv 0 78 152 0 0 + 4 e 277 398 etot -8.7308E+01 mv 1 78 180 196 0 + 4 e 11 416 etot -8.8104E+01 mv 0 78 122 0 0 c 122 0.0 0.0 + 4 e 283 389 etot -8.7380E+01 mv 1 78 41 -73 0 + 4 e 650 352 etot -7.7698E+01 mv 1 78 161 -164 0 + 4 e 528 380 etot -8.7932E+01 mv 1 78 122 -171 0 + 4 e 151 395 etot -8.7700E+01 mv 1 78 48 -96 0 + 4 e 132 402 etot -8.5239E+01 mv 0 78 102 0 0 c 102 0.4 0.0 + 4 e 417 378 etot -7.6848E+01 mv 1 78 122 -136 0 + 4 e 249 399 etot -7.5162E+01 mv 1 78 180 -178 0 + 4 e 340 393 etot -8.7699E+01 mv 1 78 48 32 0 + -1 e 1 10 etot 1.3528E+20 mv 6 79 91 30 0 + 4 e 102 401 etot -8.3221E+01 mv 0 78 91 0 0 + 4 e 288 391 etot -8.7699E+01 mv 1 78 48 -120 0 + 4 e 522 364 etot -7.1446E+01 mv 1 78 101 -197 0 + -1 e 1 16 etot 1.3528E+20 mv 6 79 105 149 0 + 4 e 395 392 etot -8.7054E+01 mv 1 78 48 -195 0 + 4 e 10 420 etot -8.7309E+01 mv 0 78 180 0 0 c 180 0.0 0.0 + 4 e 148 404 etot -8.3350E+01 mv 0 78 163 0 0 c 163 2.2 0.0 + 4 e 343 366 etot -7.5975E+01 mv 1 78 183 25 0 + 4 e 445 384 etot -8.6226E+01 mv 1 78 174 -178 0 + 4 e 27 419 etot -8.7700E+01 mv 0 78 48 0 0 c 48 0.0 0.0 + 4 e 259 397 etot -7.4724E+01 mv 1 78 180 -200 0 + 4 e 184 383 etot -8.7383E+01 mv 1 78 174 123 0 + 4 e 519 382 etot -8.5026E+01 mv 1 78 174 -11 0 + 4 e 590 334 etot -8.0686E+01 mv 1 78 98 173 0 + 4 e 132 406 etot -8.6236E+01 mv 0 78 189 0 0 + 4 e 12 24 etot -8.4951E+01 mv 6 79 118 12 0 c 12 0.0 0.0 + 8 e 42 11 etot -6.3987E+01 mv 6 79 105 64 0 + 4 e 128 31 etot -6.4243E+01 mv 6 79 152 16 0 + -1 e 1 36 etot 1.3528E+20 mv 6 79 152 40 0 + -1 e 1 37 etot 1.3528E+20 mv 6 79 152 182 0 + 4 e 146 29 etot -6.6914E+01 mv 6 79 118 127 0 + 4 e 154 9 etot -6.6841E+01 mv 6 79 91 192 0 + -1 e 1 40 etot 1.3528E+20 mv 6 79 152 93 0 + 4 e 202 17 etot -7.7224E+01 mv 6 79 105 58 0 + -1 e 1 42 etot 1.3528E+20 mv 6 79 171 115 0 + 4 e 194 30 etot -8.5299E+01 mv 6 79 118 96 0 + -1 e 1 44 etot 1.3528E+20 mv 6 79 171 16 0 + 4 e 190 21 etot -8.5300E+01 mv 6 79 118 102 0 c 118 1.6 0.0 + 4 e 210 13 etot -7.4480E+01 mv 6 79 105 94 0 + 4 e 231 8 etot -8.0761E+01 mv 6 79 91 101 0 + 4 e 200 15 etot -7.9324E+01 mv 6 79 105 94 0 + 4 e 238 2 etot -8.1878E+01 mv 6 79 91 198 0 + 4 e 246 25 etot -8.5299E+01 mv 6 79 118 84 0 + 4 e 252 19 etot -8.2479E+01 mv 6 79 105 14 0 + 4 e 265 12 etot -8.2911E+01 mv 6 79 105 113 0 + 4 e 306 27 etot -8.5299E+01 mv 6 79 118 97 0 + 4 e 299 26 etot -8.4386E+01 mv 6 79 118 77 0 + 4 e 304 14 etot -7.3724E+01 mv 6 79 105 178 0 + 4 e 277 34 etot -8.6018E+01 mv 6 79 152 29 0 + 4 e 333 28 etot -7.6065E+01 mv 6 79 118 106 0 + 4 e 343 1 etot -8.0502E+01 mv 6 79 91 138 0 + -1 e 1 59 etot 1.3528E+20 mv 6 79 184 177 0 + 4 e 415 6 etot -8.3709E+01 mv 6 79 91 95 0 + 4 e 352 22 etot -8.4356E+01 mv 6 79 118 42 0 + 4 e 431 4 etot -7.3230E+01 mv 6 79 91 128 0 + 4 e 442 5 etot -8.0417E+01 mv 6 79 91 60 0 + 4 e 398 32 etot -8.9993E+01 mv 6 79 152 64 0 + 4 e 253 39 etot -7.7832E+01 mv 6 79 152 142 0 + -1 e 1 66 etot 1.3528E+20 mv 6 79 189 42 0 + 4 e 242 45 etot -8.5477E+01 mv 6 79 171 64 0 c 171 1.6 0.0 + 4 e 466 20 etot -8.2564E+01 mv 6 79 105 172 0 + 4 e 454 33 etot -8.4431E+01 mv 6 79 152 116 0 + 4 e 238 52 etot -8.6063E+01 mv 6 79 184 189 0 + 4 e 602 7 etot -7.0536E+01 mv 6 79 91 88 0 + -1 e 1 72 etot 1.3528E+20 mv 6 79 49 127 0 + 4 e 177 56 etot -6.7950E+01 mv 6 79 184 130 0 + 4 e 326 41 etot -7.0695E+01 mv 6 79 171 186 0 + 4 e 493 18 etot -8.1900E+01 mv 6 79 105 4 0 + 4 e 500 23 etot -8.1962E+01 mv 6 79 118 110 0 + -1 e 1 77 etot 1.3528E+20 mv 6 79 49 118 0 + 4 e 299 46 etot -8.7534E+01 mv 6 79 171 54 0 + 4 e 220 62 etot -6.8716E+01 mv 6 79 189 146 0 + 4 e 523 3 etot -7.5150E+01 mv 6 79 91 95 0 + 4 e 331 47 etot -8.5476E+01 mv 6 79 171 103 0 + 4 e 255 54 etot -7.5109E+01 mv 6 79 184 34 0 + 4 e 311 49 etot -8.5453E+01 mv 6 79 171 124 0 + 4 e 262 55 etot -8.6935E+01 mv 6 79 184 167 0 + 4 e 11 85 etot -8.8104E+01 mv 6 79 24 122 0 + 4 e 331 48 etot -8.1256E+01 mv 6 79 171 150 0 + 4 e 482 38 etot -8.9918E+01 mv 6 79 152 38 0 + 4 e 342 63 etot -8.0016E+01 mv 6 79 189 31 0 + 4 e 265 60 etot -8.0918E+01 mv 6 79 184 135 0 + 4 e 184 73 etot -8.5091E+01 mv 6 79 49 83 0 + 4 e 376 61 etot -8.5754E+01 mv 6 79 189 33 0 + 4 e 385 50 etot -8.0129E+01 mv 6 79 171 94 0 + 4 e 296 58 etot -8.5798E+01 mv 6 79 184 182 0 + 4 e 253 71 etot -8.3770E+01 mv 6 79 49 124 0 + 4 e 391 53 etot -8.6067E+01 mv 6 79 184 73 0 + 4 e 578 43 etot -8.1212E+01 mv 6 79 171 197 0 + 4 e 287 65 etot -6.9526E+01 mv 6 79 189 91 0 + 4 e 203 81 etot -8.7131E+01 mv 6 79 24 128 0 + 4 e 442 51 etot -7.0329E+01 mv 6 79 184 88 0 + 4 e 453 64 etot -8.7303E+01 mv 6 79 189 97 0 + 4 e 195 84 etot -9.0900E+01 mv 6 79 24 84 0 + 4 e 452 57 etot -7.8314E+01 mv 6 79 184 145 0 + -1 e 1 103 etot 1.3528E+20 mv 6 79 1 118 0 + 4 e 337 80 etot -7.2461E+01 mv 6 79 49 123 0 + 4 e 703 35 etot -8.9505E+01 mv 6 79 152 146 0 + 4 e 366 67 etot -7.7885E+01 mv 6 79 189 29 0 + 4 e 459 69 etot -7.9755E+01 mv 6 79 189 89 0 + 4 e 227 91 etot -8.8215E+01 mv 6 79 36 138 0 + 4 e 346 74 etot -7.6459E+01 mv 6 79 49 86 0 + 4 e 288 79 etot -8.7217E+01 mv 6 79 49 38 0 + 4 e 189 95 etot -8.8215E+01 mv 6 79 36 87 0 + -1 e 1 112 etot 1.3528E+20 mv 6 79 3 76 0 + 4 e 265 89 etot -8.9624E+01 mv 6 79 24 56 0 + 4 e 271 83 etot -6.8543E+01 mv 6 79 24 94 0 + 4 e 342 82 etot -8.6226E+01 mv 6 79 24 177 0 + 4 e 225 94 etot -7.0091E+01 mv 6 79 36 96 0 + 4 e 236 99 etot -8.0416E+01 mv 6 79 36 166 0 + 4 e 258 97 etot -8.8172E+01 mv 6 79 36 24 0 + -1 e 1 119 etot 1.3528E+20 mv 6 79 3 174 0 + 4 e 366 92 etot -8.1738E+01 mv 6 79 36 24 0 + 4 e 193 98 etot -7.5140E+01 mv 6 79 36 146 0 + 4 e 281 86 etot -7.6887E+01 mv 6 79 24 140 0 + 4 e 314 96 etot -7.9833E+01 mv 6 79 36 67 0 + 4 e 419 70 etot -8.2710E+01 mv 6 79 189 153 0 + 4 e 445 75 etot -8.1150E+01 mv 6 79 49 59 0 + 4 e 286 101 etot -7.4556E+01 mv 6 79 1 161 0 + -1 e 1 127 etot 1.3528E+20 mv 6 79 161 78 0 + 4 e 390 93 etot -8.4032E+01 mv 6 79 36 130 0 + -1 e 1 129 etot 1.3528E+20 mv 6 79 161 195 0 + 4 e 230 104 etot -8.3770E+01 mv 6 79 1 49 0 + 4 e 94 115 etot -8.5643E+01 mv 6 79 3 42 0 c 42 0.4 0.0 + 4 e 507 76 etot -8.0780E+01 mv 6 79 49 45 0 + 4 e 231 110 etot -8.6114E+01 mv 6 79 1 108 0 + 4 e 563 78 etot -7.5785E+01 mv 6 79 49 7 0 + 4 e 359 100 etot -8.2095E+01 mv 6 79 36 47 0 + 4 e 233 113 etot -8.6118E+01 mv 6 79 3 180 0 + 4 e 71 123 etot -8.3778E+01 mv 6 79 161 69 0 c 69 0.3 0.0 + 4 e 518 68 etot -8.0469E+01 mv 6 79 189 57 0 + 4 e 497 90 etot -8.4486E+01 mv 6 79 24 12 0 + 4 e 320 102 etot -9.1338E+01 mv 6 79 1 117 0 + 4 e 303 111 etot -7.2549E+01 mv 6 79 3 126 0 + 4 e 300 109 etot -7.7397E+01 mv 6 79 1 33 0 + 4 e 490 87 etot -8.6089E+01 mv 6 79 24 113 0 + 4 e 341 105 etot -8.0974E+01 mv 6 79 1 2 0 + 4 e 183 121 etot -8.9075E+01 mv 6 79 161 64 0 + 4 e 249 116 etot -8.5901E+01 mv 6 79 3 5 0 + 4 e 342 108 etot -7.9006E+01 mv 6 79 1 87 0 + 4 e 424 88 etot -8.4569E+01 mv 6 79 24 61 0 + 4 e 408 106 etot -7.8387E+01 mv 6 79 1 106 0 + -1 e 1 150 etot 1.3528E+20 mv 6 79 47 100 0 + 4 e 232 126 etot -8.9075E+01 mv 6 79 161 120 0 + 4 e 155 134 etot -8.6211E+01 mv 6 79 153 32 0 + 4 e 301 118 etot -8.0171E+01 mv 6 79 3 188 0 + 4 e 296 107 etot -8.0176E+01 mv 6 79 1 141 0 + 4 e 302 120 etot -9.2232E+01 mv 6 79 3 83 0 + 4 e 396 114 etot -8.1709E+01 mv 6 79 3 52 0 + 4 e 247 131 etot -8.8055E+01 mv 6 79 153 27 0 + 4 e 297 128 etot -7.8772E+01 mv 6 79 161 187 0 + 4 e 237 137 etot -7.5642E+01 mv 6 79 153 139 0 + 4 e 151 138 etot -8.6113E+01 mv 6 79 153 145 0 + -1 e 1 161 etot 1.3528E+20 mv 6 79 122 4 0 + 4 e 167 139 etot -6.7716E+01 mv 6 79 153 19 0 + -1 e 1 163 etot 1.3528E+20 mv 6 79 122 155 0 + -1 e 1 164 etot 1.3528E+20 mv 6 79 122 174 0 + 4 e 256 122 etot -8.4383E+01 mv 6 79 161 125 0 + 4 e 361 124 etot -8.3417E+01 mv 6 79 161 2 0 + -1 e 1 166 etot 1.3528E+20 mv 6 79 122 8 0 + 4 e 276 135 etot -7.9221E+01 mv 6 79 153 17 0 + -1 e 1 168 etot 1.3528E+20 mv 6 79 122 27 0 + -1 e 1 170 etot 1.3528E+20 mv 6 79 122 20 0 + 4 e 364 130 etot -8.3979E+01 mv 6 79 161 22 0 + 4 e 217 145 etot -8.7800E+01 mv 6 79 47 18 0 + 4 e 209 146 etot -8.7800E+01 mv 6 79 47 66 0 + 4 e 133 154 etot -6.7756E+01 mv 6 79 183 165 0 + 4 e 176 152 etot -8.5839E+01 mv 6 79 183 143 0 + 4 e 275 143 etot -8.7800E+01 mv 6 79 47 38 0 + 4 e 295 125 etot -7.3823E+01 mv 6 79 161 165 0 + 4 e 390 133 etot -8.2919E+01 mv 6 79 153 190 0 + -1 e 1 179 etot 1.3528E+20 mv 6 79 174 76 0 + -1 e 1 180 etot 1.3528E+20 mv 6 79 174 74 0 + 4 e 132 160 etot -7.0073E+01 mv 6 79 183 64 0 + -1 e 1 182 etot 1.3528E+20 mv 6 79 48 74 0 + 4 e 352 140 etot -8.6623E+01 mv 6 79 153 162 0 + 4 e 255 151 etot -7.9782E+01 mv 6 79 183 54 0 + 4 e 124 162 etot -6.6788E+01 mv 6 79 122 181 0 + 4 e 222 158 etot -7.3923E+01 mv 6 79 183 157 0 + 4 e 248 156 etot -8.0532E+01 mv 6 79 183 196 0 + 4 e 291 153 etot -8.7603E+01 mv 6 79 183 121 0 + 4 e 454 136 etot -8.6363E+01 mv 6 79 153 79 0 + 4 e 265 157 etot -8.5429E+01 mv 6 79 183 131 0 + 4 e 192 167 etot -8.1052E+01 mv 6 79 122 58 0 + 4 e 396 147 etot -7.8837E+01 mv 6 79 47 117 0 + 4 e 419 148 etot -8.7788E+01 mv 6 79 47 28 0 c 163 242.0 4.4 + 4 e 233 155 etot -8.7453E+01 mv 6 79 183 2 0 + 4 e 166 171 etot -8.7383E+01 mv 6 79 174 72 0 + 4 e 233 174 etot -8.7383E+01 mv 6 79 174 123 0 + 4 e 204 176 etot -8.4718E+01 mv 6 79 174 94 0 + 4 e 257 172 etot -8.2194E+01 mv 6 79 174 90 0 + 4 e 541 141 etot -7.6483E+01 mv 6 79 47 38 0 + 4 e 165 178 etot -8.6704E+01 mv 6 79 174 75 0 + 4 e 237 165 etot -8.6192E+01 mv 6 79 122 97 0 + 4 e 552 142 etot -8.1362E+01 mv 6 79 47 62 0 + 4 e 498 117 etot -9.0744E+01 mv 6 79 3 107 0 + 4 e 356 169 etot -8.2540E+01 mv 6 79 122 79 0 + 4 e 286 185 etot -8.7518E+01 mv 6 79 48 51 0 + 4 e 223 190 etot -7.3547E+01 mv 6 79 48 73 0 + 4 e 483 159 etot -8.2896E+01 mv 6 79 183 119 0 + 4 e 384 175 etot -7.5873E+01 mv 6 79 174 195 0 + 4 e 263 191 etot -8.7380E+01 mv 6 79 41 75 0 + 4 e 674 144 etot -8.6539E+01 mv 6 79 47 93 0 + 4 e 278 192 etot -7.6647E+01 mv 6 79 41 128 0 + 4 e 539 132 etot -7.8281E+01 mv 6 79 153 62 0 + 4 e 194 199 etot -8.7381E+01 mv 6 79 41 63 0 + 4 e 215 198 etot -8.7380E+01 mv 6 79 41 143 0 + 4 e 445 149 etot -8.6862E+01 mv 6 79 47 88 0 + 4 e 426 183 etot -7.7614E+01 mv 6 79 48 100 0 + 4 e 337 188 etot -8.7699E+01 mv 6 79 48 150 0 + -1 e 1 217 etot 1.3528E+20 mv 2 79 152 -43 0 + 4 e 302 193 etot -7.8687E+01 mv 6 79 41 180 0 + 4 e 356 189 etot -8.7699E+01 mv 6 79 48 56 0 + 4 e 417 184 etot -8.4693E+01 mv 6 79 48 55 0 + -1 e 1 222 etot 1.3528E+20 mv 2 79 171 -114 0 + 4 e 188 195 etot -8.7285E+01 mv 6 79 41 103 0 + 4 e 377 187 etot -8.7699E+01 mv 6 79 48 102 0 + -1 e 1 223 etot 1.3528E+20 mv 2 79 171 -88 0 + -1 e 1 226 etot 1.3528E+20 mv 2 79 184 -192 0 + -1 e 1 224 etot 1.3528E+20 mv 2 79 171 -107 0 + 4 e 471 177 etot -8.1855E+01 mv 6 79 174 57 0 + -1 e 1 228 etot 1.3528E+20 mv 2 79 184 -67 0 + 4 e 282 186 etot -7.4489E+01 mv 6 79 48 97 0 + -1 e 1 231 etot 1.3528E+20 mv 2 79 189 -68 0 + -1 e 1 232 etot 1.3528E+20 mv 2 79 189 -136 0 + 8 e 54 213 etot -6.3985E+01 mv 2 79 118 -122 0 + 4 e 585 173 etot -7.7308E+01 mv 6 79 174 47 0 + 4 e 318 200 etot -8.3346E+01 mv 6 79 41 199 0 + 4 e 360 197 etot -7.9270E+01 mv 6 79 41 22 0 + 4 e 554 181 etot -8.2468E+01 mv 6 79 48 131 0 + 4 e 303 196 etot -8.7856E+01 mv 6 79 41 81 0 + -1 e 1 239 etot 1.3528E+20 mv 2 79 49 -74 0 + 4 e 332 206 etot -8.0308E+01 mv 2 79 105 -122 0 + 4 e 286 201 etot -7.8333E+01 mv 2 79 91 -87 0 + 4 e 295 211 etot -8.6829E+01 mv 2 79 118 -89 0 + 4 e 160 235 etot -6.7309E+01 mv 2 79 189 -151 0 + 4 e 351 209 etot -8.5024E+01 mv 2 79 105 -66 0 + 4 e 310 219 etot -7.3824E+01 mv 2 79 152 -68 0 + 4 e 305 225 etot -8.5275E+01 mv 2 79 171 -190 0 + 4 e 498 205 etot -7.8679E+01 mv 2 79 91 -139 0 + 4 e 374 214 etot 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mv 2 79 183 98 0 + 4 e 262 255 etot -8.8115E+01 mv 2 79 1 103 0 + 4 e 404 252 etot -8.0973E+01 mv 2 79 1 106 0 + -1 e 1 292 etot 1.3528E+20 mv 2 79 48 -181 0 + 4 e 316 271 etot -8.7800E+01 mv 2 79 47 -189 0 + -1 e 1 294 etot 1.3528E+20 mv 2 79 48 124 0 + -1 e 1 295 etot 1.4658E+22 mv 2 79 48 72 0 + 4 e 432 251 etot -8.1725E+01 mv 2 79 1 -81 0 + 4 e 285 276 etot -8.5549E+01 mv 2 79 183 59 0 + 4 e 247 282 etot -8.8104E+01 mv 2 79 122 -149 0 + 4 e 428 259 etot -7.6242E+01 mv 2 79 3 158 0 + 4 e 328 273 etot -8.7800E+01 mv 2 79 47 -62 0 + 4 e 325 275 etot -8.7799E+01 mv 2 79 47 84 0 + 4 e 265 266 etot -7.9292E+01 mv 2 79 153 104 0 + 4 e 204 287 etot -6.8975E+01 mv 2 79 174 2 0 + 4 e 390 272 etot -8.7197E+01 mv 2 79 47 -109 0 + 4 e 448 261 etot -8.2200E+01 mv 2 79 161 -70 0 + 4 e 522 254 etot -8.2790E+01 mv 2 79 1 -100 0 + -1 e 1 307 etot 2.8441E+23 mv 1 79 105 -63 0 + 4 e 314 263 etot -7.8876E+01 mv 2 79 161 66 0 + 4 e 372 278 etot -8.6067E+01 mv 2 79 183 -60 0 + 4 e 509 257 etot -8.6570E+01 mv 2 79 3 136 0 + 4 e 575 258 etot -9.0231E+01 mv 2 79 3 -25 0 + 4 e 351 283 etot -7.2504E+01 mv 2 79 122 53 0 + 4 e 173 298 etot -8.5802E+01 mv 2 79 41 -123 0 + 4 e 229 293 etot -8.7401E+01 mv 2 79 48 199 0 + 4 e 320 288 etot -7.3206E+01 mv 2 79 174 -168 0 + 4 e 247 286 etot -8.7184E+01 mv 2 79 174 -17 0 + 4 e 594 262 etot -7.8080E+01 mv 2 79 161 -150 0 + 4 e 224 297 etot -8.6975E+01 mv 2 79 41 74 0 + 4 e 217 301 etot -8.3709E+01 mv 1 79 91 -147 0 c 91 2.7 0.0 + 4 e 352 280 etot -7.5343E+01 mv 2 79 183 61 0 + 4 e 231 300 etot -8.1989E+01 mv 2 79 41 -176 0 + -1 e 1 321 etot 1.3528E+20 mv 1 79 171 -161 0 + 4 e 279 296 etot -8.4612E+01 mv 2 79 41 -162 0 + 4 e 254 299 etot -8.7380E+01 mv 2 79 41 116 0 + 4 e 729 250 etot -8.4949E+01 mv 2 79 36 103 0 + 4 e 448 285 etot -8.9187E+01 mv 2 79 122 -94 0 + 4 e 688 264 etot -7.9983E+01 mv 2 79 161 -70 0 + 4 e 764 233 etot -7.8165E+01 mv 2 79 189 -56 0 + 4 e 278 289 etot -7.3185E+01 mv 2 79 174 -93 0 + 4 e 260 306 etot -8.6335E+01 mv 1 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etot -7.1003E+01 mv 1 79 184 -78 0 + 4 e 175 339 etot -6.6657E+01 mv 1 79 49 -123 0 + 4 e 504 311 etot -8.5299E+01 mv 1 79 118 -193 0 + 4 e 430 318 etot -8.9993E+01 mv 1 79 152 -107 0 + 4 e 176 341 etot -9.0761E+01 mv 1 79 24 95 0 + 4 e 436 319 etot -7.8373E+01 mv 1 79 152 -44 0 + 4 e 401 324 etot -7.8661E+01 mv 1 79 171 -175 0 + 4 e 211 340 etot -8.3770E+01 mv 1 79 49 50 0 + 4 e 491 315 etot -7.0738E+01 mv 1 79 118 -184 0 + 4 e 416 325 etot -8.3613E+01 mv 1 79 171 -107 0 + 4 e 384 332 etot -7.7766E+01 mv 1 79 189 -166 0 + 4 e 209 345 etot -9.0761E+01 mv 1 79 24 87 0 + 4 e 382 317 etot -7.2954E+01 mv 1 79 152 -9 0 + 4 e 249 344 etot -9.0761E+01 mv 1 79 24 -162 0 + 4 e 346 337 etot -8.1719E+01 mv 1 79 49 16 0 + 4 e 604 314 etot -6.8815E+01 mv 1 79 118 -154 0 + 4 e 524 303 etot -6.8442E+01 mv 1 79 91 -129 0 + 4 e 605 316 etot -8.4154E+01 mv 1 79 152 -196 0 + 4 e 321 343 etot -8.1987E+01 mv 1 79 24 -47 0 + 4 e 167 355 etot -8.8115E+01 mv 1 79 1 116 0 + 4 e 159 358 etot -9.0745E+01 mv 1 79 3 25 0 + 4 e 306 338 etot -8.0813E+01 mv 1 79 49 -28 0 + 4 e 592 328 etot -7.3991E+01 mv 1 79 184 -199 0 + 4 e 307 352 etot -7.5889E+01 mv 1 79 1 -33 0 + 4 e 297 353 etot -8.8114E+01 mv 1 79 1 -108 0 + 4 e 353 349 etot -8.0467E+01 mv 1 79 36 32 0 + 4 e 259 346 etot -8.5492E+01 mv 1 79 36 -106 0 + 4 e 589 309 etot -6.8816E+01 mv 1 79 105 -80 0 + 4 e 273 354 etot -8.8115E+01 mv 1 79 1 47 0 + 4 e 365 350 etot -8.2462E+01 mv 1 79 36 -61 0 + -1 e 1 380 etot 1.3528E+20 mv 1 79 183 -16 0 + 4 e 264 347 etot -8.6831E+01 mv 1 79 36 -27 0 + 4 e 273 359 etot -7.4041E+01 mv 1 79 3 -197 0 + 4 e 136 363 etot -8.9075E+01 mv 1 79 161 101 0 + 4 e 141 370 etot -8.8055E+01 mv 1 79 153 -191 0 + 4 e 172 366 etot -8.8055E+01 mv 1 79 153 79 0 + 4 e 605 334 etot -7.0121E+01 mv 1 79 189 -32 0 + 4 e 305 360 etot -7.5294E+01 mv 1 79 3 -190 0 + 4 e 185 368 etot -8.8055E+01 mv 1 79 153 77 0 + 4 e 281 362 etot -8.9074E+01 mv 1 79 161 173 0 + 4 e 168 367 etot -7.7769E+01 mv 1 79 153 83 0 + 4 e 297 364 etot -8.9074E+01 mv 1 79 161 -115 0 + 4 e 593 342 etot -7.6808E+01 mv 1 79 24 -68 0 + 4 e 299 369 etot -8.4803E+01 mv 1 79 153 -106 0 + 4 e 370 361 etot -8.9073E+01 mv 1 79 161 -131 0 + 4 e 196 375 etot -8.7800E+01 mv 1 79 47 -81 0 + 4 e 141 378 etot -8.7603E+01 mv 1 79 183 93 0 + 4 e 165 386 etot -8.7383E+01 mv 1 79 174 -41 0 + 4 e 565 351 etot -8.6664E+01 mv 1 79 1 34 0 + 4 e 254 373 etot -8.6313E+01 mv 1 79 47 -189 0 + 4 e 513 356 etot -7.9417E+01 mv 1 79 3 -172 0 + 4 e 804 335 etot -8.3352E+01 mv 1 79 189 -48 0 + 4 e 585 329 etot -8.3249E+01 mv 1 79 184 -17 0 + 4 e 239 381 etot -8.8104E+01 mv 1 79 122 121 0 + 4 e 361 371 etot -8.7800E+01 mv 1 79 47 120 0 + 4 e 178 382 etot -6.2554E+01 mv 1 79 122 -164 0 + 4 e 227 387 etot -8.6597E+01 mv 1 79 174 146 0 + 4 e 198 390 etot -8.7383E+01 mv 1 79 174 136 0 + 4 e 269 383 etot -8.8104E+01 mv 1 79 122 10 0 + 4 e 2 409 etot -9.0761E+01 mv 0 79 24 0 0 + 4 e 2 410 etot -8.8216E+01 mv 0 79 36 0 0 + 4 e 2 411 etot -8.8115E+01 mv 0 79 1 0 0 + 4 e 2 412 etot -9.0746E+01 mv 0 79 3 0 0 + 4 e 10 413 etot -8.9075E+01 mv 0 79 161 0 0 c 161 0.0 0.0 + 4 e 356 374 etot -8.5622E+01 mv 1 79 47 81 0 + 4 e 10 414 etot -8.8055E+01 mv 0 79 153 0 0 c 153 0.0 0.0 + 4 e 45 408 etot -8.3770E+01 mv 0 79 49 0 0 c 49 0.1 0.0 + 4 e 2 416 etot -8.7603E+01 mv 0 79 183 0 0 + 4 e 99 402 etot -8.6335E+01 mv 0 79 105 0 0 c 105 0.9 0.0 + 4 e 2 418 etot -8.7384E+01 mv 0 79 174 0 0 +## N0 total= 20 close= 9 far= 0 %acc 45.0 +## N1 total= 100 close= 4 far= 0 %acc 4.0 +## N2 total= 100 close= 1 far= 0 %acc 1.0 +## N3 total= 0 close= 0 far= 0 %acc 0.0 +## N4 total= 0 close= 0 far= 0 %acc 0.0 +## N5 total= 0 close= 0 far= 0 %acc 0.0 +## N6 total= 200 close= 6 far= 0 %acc 3.0 +## N7 total= 0 close= 0 far= 0 %acc 0.0 +## N8 total= 0 close= 0 far= 0 %acc 0.0 +## N9 total= 0 close= 0 far= 0 %acc 0.0 +##N10 total= 0 close= 0 far= 0 %acc 0.0 +##N11 total= 0 close= 0 far= 0 %acc 0.0 +##N12 total= 0 close= 0 far= 0 %acc 0.0 +##N13 total= 0 close= 0 far= 0 %acc 0.0 +##N14 total= 0 close= 0 far= 0 %acc 0.0 +##N15 total= 0 close= 0 far= 0 %acc 0.0 +##N16 total= 0 close= 0 far= 0 %acc 0.0 +##N17 total= 0 close= 0 far= 0 %acc 0.0 +##N18 total= 0 close= 0 far= 0 %acc 0.0 + Time for refresh 80 0.27 + make_var : nseed= 20 ntry= 420 + Time for make trial 81 0.08 +Nonsetup time 157.77 sec, Eval/s = 64673.16 +Time for iter 81 1.77 sec, Eval/s = 66074.50 + UPDATING 420 + 4 e 544 365 etot -8.2007E+01 mv 1 79 161 187 0 + 4 e 133 404 etot -8.9995E+01 mv 0 79 152 0 0 c 152 1.0 0.0 + 4 e 652 357 etot -8.4142E+01 mv 1 79 3 -162 0 + 4 e 324 393 etot -8.6643E+01 mv 1 79 48 -27 0 + 4 e 224 400 etot -8.7380E+01 mv 1 79 41 -57 0 + 4 e 232 399 etot -8.6679E+01 mv 1 79 41 81 0 + 4 e 116 407 etot -8.6556E+01 mv 0 79 189 0 0 c 189 1.4 0.0 + 4 e 527 392 etot -8.7317E+01 mv 1 79 48 46 0 + 4 e 289 394 etot -7.0761E+01 mv 1 79 48 13 0 + 4 e 2 420 etot -8.7381E+01 mv 0 79 41 0 0 + 4 e 27 419 etot -8.7700E+01 mv 0 79 48 0 0 + 4 e 230 395 etot -8.7700E+01 mv 1 79 48 -150 0 + 4 e 440 379 etot -7.4501E+01 mv 1 79 183 -130 0 + 4 e 368 385 etot -8.8103E+01 mv 1 79 122 -176 0 + 4 e 446 376 etot -8.2122E+01 mv 1 79 183 87 0 + 4 e 272 398 etot -8.7380E+01 mv 1 79 41 194 0 + 4 e 196 396 etot -8.7381E+01 mv 1 79 41 149 0 + 4 e 11 417 etot -8.8104E+01 mv 0 79 122 0 0 + 4 e 99 405 etot -8.5477E+01 mv 0 79 171 0 0 c 171 0.9 0.0 + 4 e 150 401 etot -8.3710E+01 mv 0 79 91 0 0 c 91 0.7 0.0 + 4 e 307 388 etot -8.4764E+01 mv 1 79 174 -196 0 + 4 e 12 415 etot -8.7801E+01 mv 0 79 47 0 0 c 47 0.0 0.0 + 4 e 284 389 etot -7.9690E+01 mv 1 79 174 -154 0 + 4 e 77 403 etot -8.5300E+01 mv 0 79 118 0 0 c 118 1.3 0.0 + -1 e 1 17 etot 1.3528E+20 mv 6 80 168 162 0 + -1 e 1 18 etot 1.3528E+20 mv 6 80 168 41 0 + 4 e 136 406 etot -8.6178E+01 mv 0 79 184 0 0 c 184 1.0 0.0 + 4 e 568 391 etot -8.7697E+01 mv 1 79 48 175 0 + -1 e 1 21 etot 8.6065E+32 mv 6 80 104 97 0 + 4 e 627 348 etot -8.5985E+01 mv 1 79 36 116 0 + 4 e 492 397 etot -8.7379E+01 mv 1 79 41 42 0 + 4 e 294 372 etot -8.7800E+01 mv 1 79 47 139 0 + -1 e 1 24 etot 1.3528E+20 mv 6 80 104 80 0 + 4 e 421 377 etot -7.5363E+01 mv 1 79 183 106 0 + 4 e 341 384 etot -8.6299E+01 mv 1 79 122 -84 0 + 4 e 107 20 etot -7.8356E+01 mv 6 80 168 5 0 + 4 e 152 27 etot -7.1237E+01 mv 6 80 104 62 0 + 4 e 184 31 etot -9.0761E+01 mv 6 80 24 66 0 + 4 e 208 2 etot -7.6999E+01 mv 6 80 163 104 0 + 4 e 224 22 etot -9.2490E+01 mv 6 80 104 37 0 + 4 e 234 10 etot -7.5249E+01 mv 6 80 163 23 0 + -1 e 1 41 etot 1.3528E+20 mv 6 80 139 191 0 + 4 e 267 5 etot -8.6186E+01 mv 6 80 163 176 0 + 4 e 267 12 etot -7.6181E+01 mv 6 80 168 113 0 + 4 e 271 30 etot -9.1867E+01 mv 6 80 104 69 0 + 4 e 276 14 etot -8.9341E+01 mv 6 80 168 112 0 + 4 e 290 34 etot -8.5522E+01 mv 6 80 24 44 0 + 4 e 291 32 etot -9.0760E+01 mv 6 80 24 100 0 + -1 e 1 47 etot 1.3528E+20 mv 6 80 139 89 0 + 4 e 294 28 etot -8.7240E+01 mv 6 80 104 148 0 + 4 e 375 6 etot -8.7791E+01 mv 6 80 163 173 0 c 163 3.9 0.0 + -1 e 1 50 etot 1.3528E+20 mv 6 80 139 97 0 + 4 e 301 3 etot -7.9149E+01 mv 6 80 163 29 0 + 4 e 177 37 etot -8.4678E+01 mv 6 80 24 46 0 + -1 e 1 54 etot 1.3528E+20 mv 6 80 36 161 0 + 4 e 324 16 etot -8.7819E+01 mv 6 80 168 132 0 + 4 e 419 7 etot -8.6764E+01 mv 6 80 163 191 0 + 4 e 338 35 etot -8.2309E+01 mv 6 80 24 138 0 + 4 e 355 33 etot -8.0159E+01 mv 6 80 24 92 0 + 4 e 360 26 etot -8.3818E+01 mv 6 80 104 184 0 + 4 e 466 4 etot -8.0105E+01 mv 6 80 163 123 0 + 4 e 375 9 etot -7.2965E+01 mv 6 80 163 154 0 + -1 e 1 62 etot 1.3528E+20 mv 6 80 1 64 0 + 4 e 369 19 etot -7.5534E+01 mv 6 80 168 143 0 + -1 e 1 64 etot 1.3528E+20 mv 6 80 1 136 0 + 4 e 132 51 etot -8.8215E+01 mv 6 80 36 63 0 + 4 e 415 25 etot -7.9046E+01 mv 6 80 104 105 0 + 4 e 418 1 etot -8.0078E+01 mv 6 80 163 192 0 + -1 e 1 68 etot 1.3528E+20 mv 6 80 1 151 0 + 4 e 191 40 etot -8.9399E+01 mv 6 80 24 81 0 + 4 e 448 15 etot -8.0712E+01 mv 6 80 168 186 0 + 4 e 257 38 etot -8.8917E+01 mv 6 80 24 107 0 + 4 e 484 13 etot -8.4386E+01 mv 6 80 168 81 0 + 4 e 140 53 etot -8.8215E+01 mv 6 80 36 19 0 + 4 e 505 29 etot -8.3445E+01 mv 6 80 104 58 0 + 4 e 524 23 etot -7.6201E+01 mv 6 80 104 92 0 + 4 e 384 43 etot -8.3618E+01 mv 6 80 139 10 0 + 4 e 483 8 etot -8.2631E+01 mv 6 80 163 1 0 + 4 e 231 45 etot -6.7011E+01 mv 6 80 139 25 0 + -1 e 1 79 etot 1.3528E+20 mv 6 80 196 147 0 + 4 e 437 36 etot -7.7710E+01 mv 6 80 24 5 0 + 4 e 291 39 etot -7.7716E+01 mv 6 80 24 189 0 + 4 e 302 46 etot -7.3383E+01 mv 6 80 139 167 0 + -1 e 1 83 etot 1.3528E+20 mv 6 80 200 123 0 + 4 e 304 42 etot -8.7276E+01 mv 6 80 139 178 0 + 4 e 235 49 etot -8.7276E+01 mv 6 80 139 125 0 + 4 e 213 58 etot -8.8215E+01 mv 6 80 36 136 0 + 4 e 267 48 etot -8.0906E+01 mv 6 80 139 198 0 + 4 e 278 61 etot -8.0382E+01 mv 6 80 1 123 0 + 4 e 334 57 etot -8.2334E+01 mv 6 80 36 54 0 + 4 e 237 55 etot -8.7772E+01 mv 6 80 36 80 0 + 4 e 386 44 etot -8.2718E+01 mv 6 80 139 197 0 + 4 e 280 66 etot -7.0323E+01 mv 6 80 1 187 0 + 4 e 282 52 etot -8.3709E+01 mv 6 80 36 91 0 + 4 e 261 56 etot -8.7772E+01 mv 6 80 36 68 0 + 4 e 225 73 etot -8.8871E+01 mv 6 80 196 199 0 + 4 e 729 11 etot -7.9679E+01 mv 6 80 168 130 0 + -1 e 1 97 etot 1.3528E+20 mv 6 80 183 150 0 + 4 e 323 65 etot -7.2439E+01 mv 6 80 1 78 0 + 4 e 340 60 etot -7.9045E+01 mv 6 80 36 115 0 + 4 e 386 63 etot -8.2427E+01 mv 6 80 1 47 0 + 4 e 271 77 etot -8.0547E+01 mv 6 80 196 54 0 + 4 e 266 78 etot -8.3689E+01 mv 6 80 196 75 0 + -1 e 1 103 etot 1.3528E+20 mv 6 80 161 55 0 + 4 e 324 75 etot -8.7461E+01 mv 6 80 196 124 0 + 4 e 312 76 etot -8.5775E+01 mv 6 80 196 79 0 + 4 e 293 84 etot -7.2648E+01 mv 6 80 200 2 0 + 4 e 202 92 etot -8.7603E+01 mv 6 80 183 77 0 + 4 e 315 85 etot -8.0482E+01 mv 6 80 200 86 0 + 4 e 402 67 etot -8.7938E+01 mv 6 80 1 41 0 + 4 e 212 95 etot -8.6155E+01 mv 6 80 183 194 0 + 4 e 417 59 etot -8.0076E+01 mv 6 80 36 34 0 + 4 e 282 90 etot -7.8124E+01 mv 6 80 200 177 0 + -1 e 1 112 etot 9.5393E+30 mv 6 80 174 197 0 + -1 e 1 113 etot 1.5356E+21 mv 6 80 174 195 0 + 4 e 458 71 etot -8.2685E+01 mv 6 80 196 154 0 + 4 e 267 93 etot -8.3681E+01 mv 6 80 183 34 0 + 4 e 178 100 etot -8.7603E+01 mv 6 80 183 39 0 + 4 e 335 74 etot -7.7076E+01 mv 6 80 196 53 0 + -1 e 1 118 etot 1.3528E+20 mv 6 80 174 154 0 + -1 e 1 120 etot 1.3528E+20 mv 6 80 174 88 0 + -1 e 1 121 etot 1.3528E+20 mv 6 80 180 18 0 + -1 e 1 122 etot 1.3528E+20 mv 6 80 180 156 0 + 4 e 558 70 etot -8.8114E+01 mv 6 80 1 138 0 + 4 e 442 81 etot -7.9849E+01 mv 6 80 200 81 0 + 4 e 191 102 etot -8.2061E+01 mv 6 80 161 94 0 + 4 e 287 96 etot -8.7603E+01 mv 6 80 183 103 0 + -1 e 1 127 etot 1.3528E+20 mv 6 80 180 18 0 + -1 e 1 128 etot 1.3528E+20 mv 6 80 180 175 0 + -1 e 1 129 etot 1.3528E+20 mv 6 80 180 170 0 + 4 e 336 80 etot -8.8871E+01 mv 6 80 196 122 0 + 4 e 289 98 etot -8.5429E+01 mv 6 80 183 129 0 + 4 e 368 82 etot -8.6097E+01 mv 6 80 200 118 0 + 4 e 204 105 etot -8.9075E+01 mv 6 80 161 130 0 + 4 e 457 69 etot -8.7938E+01 mv 6 80 1 53 0 + 4 e 307 91 etot -7.5441E+01 mv 6 80 183 77 0 + 4 e 221 107 etot -8.9075E+01 mv 6 80 161 15 0 + 4 e 316 88 etot -8.7233E+01 mv 6 80 200 91 0 + -1 e 1 137 etot 1.3528E+20 mv 6 80 59 115 0 + 4 e 273 104 etot -8.5552E+01 mv 6 80 161 111 0 + 4 e 243 106 etot -8.9247E+01 mv 6 80 161 46 0 + 4 e 468 89 etot -8.3514E+01 mv 6 80 200 61 0 + 4 e 349 87 etot -7.7458E+01 mv 6 80 200 47 0 + -1 e 1 143 etot 1.3528E+20 mv 6 80 124 154 0 + 4 e 454 72 etot -8.1198E+01 mv 6 80 196 160 0 + -1 e 1 145 etot 1.3528E+20 mv 6 80 124 83 0 + 4 e 235 111 etot -8.0487E+01 mv 6 80 174 161 0 + -1 e 1 147 etot 1.3528E+20 mv 6 80 124 20 0 + 4 e 342 101 etot -7.9737E+01 mv 6 80 161 163 0 + 4 e 200 124 etot -7.4308E+01 mv 6 80 180 91 0 + -1 e 1 150 etot 1.3528E+20 mv 6 80 124 38 0 + 4 e 184 114 etot -8.5919E+01 mv 6 80 174 151 0 + 4 e 265 116 etot -8.7876E+01 mv 6 80 174 100 0 + 4 e 209 126 etot -7.7813E+01 mv 6 80 180 177 0 + 4 e 203 130 etot -8.5988E+01 mv 6 80 180 146 0 + 4 e 295 115 etot -7.3324E+01 mv 6 80 174 55 0 + 4 e 461 99 etot -7.3169E+01 mv 6 80 183 157 0 + -1 e 1 157 etot 1.3528E+20 mv 6 80 41 113 0 + 4 e 357 109 etot -8.6177E+01 mv 6 80 161 59 0 + 4 e 402 108 etot -7.7023E+01 mv 6 80 161 20 0 + 4 e 213 141 etot -7.0528E+01 mv 6 80 124 73 0 + 4 e 263 134 etot -8.1936E+01 mv 6 80 59 95 0 + 4 e 137 151 etot -8.3061E+01 mv 6 80 41 169 0 + 4 e 394 117 etot -8.3175E+01 mv 6 80 174 198 0 + 4 e 532 86 etot -7.8936E+01 mv 6 80 200 91 0 + 4 e 445 110 etot -8.2945E+01 mv 6 80 161 122 0 + 4 e 400 119 etot -7.6781E+01 mv 6 80 174 35 0 + 4 e 307 140 etot -8.2556E+01 mv 6 80 59 27 0 + 4 e 396 132 etot -7.7151E+01 mv 6 80 59 61 0 + 4 e 271 131 etot -8.7767E+01 mv 6 80 59 96 0 + 4 e 273 148 etot -8.3869E+01 mv 6 80 124 144 0 + 4 e 319 142 etot -8.7884E+01 mv 6 80 124 131 0 + 4 e 217 154 etot -8.2744E+01 mv 6 80 41 21 0 + 4 e 408 133 etot -8.1413E+01 mv 6 80 59 110 0 + 4 e 485 123 etot -8.1413E+01 mv 6 80 180 19 0 + 4 e 348 149 etot -8.7883E+01 mv 6 80 124 19 0 + 4 e 555 94 etot -8.7425E+01 mv 6 80 183 187 0 + 4 e 253 158 etot -7.4681E+01 mv 6 80 41 168 0 + 4 e 268 156 etot -7.0109E+01 mv 6 80 41 65 0 + 4 e 182 163 etot -8.7217E+01 mv 6 80 38 58 0 + 4 e 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etot -8.3431E+01 mv 6 80 124 64 0 + 4 e 317 197 etot -8.7120E+01 mv 6 80 162 19 0 + 4 e 285 181 etot -8.7120E+01 mv 6 80 97 162 0 + 4 e 237 192 etot -8.5665E+01 mv 6 80 162 13 0 + 4 e 345 196 etot -8.6955E+01 mv 6 80 162 44 0 + 4 e 357 170 etot -9.0617E+01 mv 6 80 38 122 0 + 4 e 472 180 etot -8.3079E+01 mv 6 80 81 176 0 + 4 e 147 218 etot -9.0761E+01 mv 2 80 24 87 0 + 4 e 578 172 etot -8.1996E+01 mv 6 80 81 193 0 + 4 e 384 198 etot -8.7120E+01 mv 6 80 162 68 0 + 4 e 268 206 etot -8.9446E+01 mv 2 80 168 -48 0 c 168 1.8 0.0 + 4 e 275 203 etot -7.4696E+01 mv 2 80 163 22 0 + -1 e 1 233 etot 1.3528E+20 mv 2 80 1 -96 0 + 4 e 284 204 etot -7.6568E+01 mv 2 80 163 -28 0 + 4 e 400 199 etot -8.6633E+01 mv 6 80 162 40 0 + 4 e 232 212 etot -6.8768E+01 mv 2 80 104 -45 0 + 4 e 532 184 etot -8.1013E+01 mv 6 80 97 184 0 + 4 e 348 202 etot -8.7790E+01 mv 2 80 163 134 0 + 4 e 328 209 etot -7.4222E+01 mv 2 80 168 -134 0 + 4 e 186 220 etot -9.0761E+01 mv 2 80 24 30 0 + 4 e 361 195 etot -7.9891E+01 mv 6 80 162 27 0 + 4 e 372 210 etot -8.7195E+01 mv 2 80 168 -87 0 + 4 e 348 214 etot -9.2542E+01 mv 2 80 104 11 0 + 4 e 355 216 etot -7.9663E+01 mv 2 80 24 -137 0 + 4 e 159 236 etot -8.8871E+01 mv 2 80 196 -84 0 + 4 e 584 200 etot -7.5283E+01 mv 6 80 162 144 0 + 4 e 233 229 etot -8.8215E+01 mv 2 80 36 77 0 + 4 e 248 230 etot -7.6809E+01 mv 2 80 36 107 0 + 4 e 218 225 etot -8.2126E+01 mv 2 80 139 -133 0 + 4 e 417 213 etot -8.6699E+01 mv 2 80 104 186 0 + 4 e 234 222 etot -8.8358E+01 mv 2 80 139 113 0 + 4 e 180 239 etot -7.2517E+01 mv 2 80 196 -80 0 + 4 e 691 193 etot -8.5522E+01 mv 6 80 162 64 0 + 4 e 271 231 etot -7.5890E+01 mv 2 80 1 90 0 + 4 e 669 201 etot -8.7799E+01 mv 2 80 163 -131 0 + 4 e 331 235 etot -7.3215E+01 mv 2 80 1 -91 0 + -1 e 1 257 etot 1.3528E+20 mv 2 80 174 -163 0 + -1 e 1 258 etot 1.3528E+20 mv 2 80 174 -88 0 + 4 e 408 228 etot -8.7536E+01 mv 2 80 36 -4 0 + 4 e 137 253 etot -6.2960E+01 mv 2 80 161 -170 0 + 4 e 350 221 etot -7.4551E+01 mv 2 80 139 172 0 + 4 e 386 232 etot -8.4748E+01 mv 2 80 1 34 0 + 4 e 591 211 etot -9.2541E+01 mv 2 80 104 -131 0 + 4 e 508 223 etot -8.4324E+01 mv 2 80 139 35 0 + 4 e 221 246 etot -8.7603E+01 mv 2 80 183 20 0 + 4 e 343 240 etot -8.0879E+01 mv 2 80 196 -9 0 + 4 e 293 243 etot -8.0668E+01 mv 2 80 200 -117 0 + 4 e 244 242 etot -8.7592E+01 mv 2 80 200 20 0 + 4 e 538 226 etot -8.2523E+01 mv 2 80 36 -2 0 + 4 e 509 208 etot -8.7568E+01 mv 2 80 168 28 0 + 4 e 290 247 etot -7.6426E+01 mv 2 80 183 100 0 + -1 e 1 272 etot 1.3528E+20 mv 2 80 124 17 0 + 4 e 307 245 etot -8.7592E+01 mv 2 80 200 101 0 + -1 e 1 273 etot 1.3528E+20 mv 2 80 124 -7 0 + 4 e 474 238 etot -8.4342E+01 mv 2 80 196 -138 0 + 4 e 191 256 etot -8.7383E+01 mv 2 80 174 25 0 + 4 e 182 259 etot -7.2387E+01 mv 2 80 174 -163 0 + 4 e 488 237 etot -8.0061E+01 mv 2 80 196 -107 0 + 4 e 135 263 etot -8.7308E+01 mv 2 80 180 105 0 + 4 e 356 244 etot -8.7592E+01 mv 2 80 200 86 0 + 4 e 167 260 etot -8.7383E+01 mv 2 80 174 -163 0 + -1 e 1 282 etot 1.3528E+20 mv 2 80 38 20 0 + -1 e 1 283 etot 1.3528E+20 mv 2 80 38 52 0 + 4 e 560 234 etot -7.8402E+01 mv 2 80 1 115 0 + -1 e 1 285 etot 1.5615E+23 mv 2 80 38 -79 0 + 4 e 350 248 etot -7.5188E+01 mv 2 80 183 112 0 + 4 e 168 265 etot -8.7308E+01 mv 2 80 180 198 0 + 4 e 329 251 etot -8.5909E+01 mv 2 80 161 77 0 + 4 e 341 255 etot -7.6908E+01 mv 2 80 161 -171 0 + 4 e 481 227 etot -7.7931E+01 mv 2 80 36 -25 0 + 4 e 398 249 etot -8.1116E+01 mv 2 80 183 171 0 + 4 e 520 224 etot -7.6039E+01 mv 2 80 139 155 0 + 4 e 577 241 etot -7.1664E+01 mv 2 80 200 2 0 + 4 e 206 270 etot -8.7971E+01 mv 2 80 59 155 0 + 4 e 430 254 etot -7.6149E+01 mv 2 80 161 -15 0 + 4 e 180 276 etot -8.6975E+01 mv 2 80 41 39 0 + 4 e 330 252 etot -7.4253E+01 mv 2 80 161 137 0 + 4 e 201 280 etot -8.7381E+01 mv 2 80 41 -40 0 + 4 e 189 269 etot -8.7882E+01 mv 2 80 59 -84 0 + 4 e 163 288 etot -8.7212E+01 mv 2 80 81 134 0 + 4 e 230 278 etot -8.7381E+01 mv 2 80 41 -66 0 + 4 e 208 271 etot -7.5387E+01 mv 2 80 124 -195 0 + 4 e 268 277 etot -8.4327E+01 mv 2 80 41 -79 0 + 4 e 405 261 etot -7.9306E+01 mv 2 80 180 29 0 + 4 e 237 287 etot -8.7211E+01 mv 2 80 81 76 0 + 4 e 208 290 etot -7.1769E+01 mv 2 80 81 -66 0 + 4 e 416 266 etot -8.7400E+01 mv 2 80 59 -57 0 + 4 e 353 275 etot -8.8096E+01 mv 2 80 124 -8 0 + 4 e 168 295 etot -8.7140E+01 mv 2 80 97 22 0 + 4 e 323 262 etot -8.1065E+01 mv 2 80 180 -161 0 + 4 e 368 274 etot -7.5573E+01 mv 2 80 124 -166 0 + 8 e 123 299 etot -6.3999E+01 mv 2 80 162 -180 0 + -1 e 1 313 etot 1.3528E+20 mv 1 80 104 14 0 + 4 e 400 268 etot -7.1934E+01 mv 2 80 59 -89 0 + 4 e 214 294 etot -7.0036E+01 mv 2 80 97 1 0 + 4 e 209 296 etot -7.4047E+01 mv 2 80 162 14 0 + 4 e 171 293 etot -8.7140E+01 mv 2 80 97 91 0 + 4 e 487 250 etot -8.1283E+01 mv 2 80 183 154 0 + 4 e 741 219 etot -7.5499E+01 mv 2 80 24 128 0 + 4 e 572 267 etot -7.3744E+01 mv 2 80 59 -5 0 + 4 e 288 297 etot -8.5665E+01 mv 2 80 162 -146 0 + 4 e 472 279 etot -8.5129E+01 mv 2 80 41 110 0 + 4 e 608 264 etot -7.9798E+01 mv 2 80 180 169 0 + 4 e 263 301 etot -8.7682E+01 mv 1 80 163 -85 0 + -1 e 1 324 etot 1.3528E+20 mv 1 80 139 -178 0 + 4 e 533 281 etot -8.1838E+01 mv 2 80 38 6 0 + 4 e 466 292 etot -7.2174E+01 mv 2 80 97 -156 0 + 4 e 275 308 etot -8.4575E+01 mv 1 80 168 173 0 + 4 e 571 284 etot -8.1838E+01 mv 2 80 38 43 0 + 4 e 249 315 etot -8.2474E+01 mv 1 80 104 170 0 + 4 e 250 312 etot -9.2543E+01 mv 1 80 104 -119 0 + 4 e 570 286 etot -8.2609E+01 mv 2 80 81 23 0 + 4 e 267 300 etot -8.5932E+01 mv 2 80 162 -135 0 + 4 e 361 306 etot -6.9618E+01 mv 1 80 168 19 0 + 4 e 329 307 etot -8.9341E+01 mv 1 80 168 136 0 + 4 e 254 317 etot -8.1135E+01 mv 1 80 24 -192 0 + 4 e 332 309 etot -8.7810E+01 mv 1 80 168 184 0 + 4 e 317 314 etot -9.2541E+01 mv 1 80 104 72 0 + 4 e 288 303 etot -8.7792E+01 mv 1 80 163 -90 0 c 163 1.7 0.0 + 4 e 195 326 etot -8.8215E+01 mv 1 80 36 -103 0 + 4 e 345 298 etot -8.7120E+01 mv 2 80 162 -91 0 + 4 e 231 321 etot -8.8359E+01 mv 1 80 139 190 0 + 4 e 219 325 etot -8.8359E+01 mv 1 80 139 162 0 + 4 e 161 327 etot -8.6580E+01 mv 1 80 36 -3 0 + 4 e 370 316 etot -8.4322E+01 mv 1 80 24 -57 0 + 4 e 282 311 etot -6.6845E+01 mv 1 80 104 -94 0 + 4 e 158 330 etot -7.3746E+01 mv 1 80 36 -95 0 + 4 e 531 305 etot -8.7790E+01 mv 1 80 163 116 0 + -1 e 1 349 etot 2.5726E+24 mv 1 80 183 135 0 + 4 e 246 328 etot -7.5728E+01 mv 1 80 36 -78 0 + 4 e 488 310 etot -7.7918E+01 mv 1 80 168 146 0 + 4 e 265 320 etot -9.0760E+01 mv 1 80 24 53 0 + 4 e 778 289 etot -7.5560E+01 mv 2 80 81 49 0 + 4 e 303 318 etot -9.0761E+01 mv 1 80 24 181 0 + 4 e 168 338 etot -8.7442E+01 mv 1 80 196 -173 0 + 4 e 380 323 etot -6.9255E+01 mv 1 80 139 93 0 + 4 e 574 304 etot -8.7399E+01 mv 1 80 163 2 0 + 4 e 260 332 etot -7.5923E+01 mv 1 80 1 -44 0 + 4 e 626 302 etot -8.7108E+01 mv 1 80 163 -139 0 + 8 e 25 353 etot -6.3993E+01 mv 1 80 161 -158 0 + 4 e 409 322 etot -7.6937E+01 mv 1 80 139 -95 0 + 4 e 319 319 etot -9.0435E+01 mv 1 80 24 -117 0 + 4 e 281 336 etot -8.8568E+01 mv 1 80 196 -129 0 + 4 e 226 343 etot -8.7592E+01 mv 1 80 200 -150 0 + 4 e 349 331 etot -8.7939E+01 mv 1 80 1 189 0 + 4 e 593 291 etot -8.5814E+01 mv 2 80 97 -129 0 + 4 e 353 333 etot -8.7907E+01 mv 1 80 1 135 0 + 4 e 269 341 etot -8.7592E+01 mv 1 80 200 -25 0 + 4 e 176 350 etot -8.7603E+01 mv 1 80 183 12 0 + 4 e 265 345 etot -8.7592E+01 mv 1 80 200 -121 0 + 4 e 277 346 etot -8.7603E+01 mv 1 80 183 -98 0 + 4 e 198 347 etot -7.0565E+01 mv 1 80 183 158 0 + 4 e 404 335 etot -8.6664E+01 mv 1 80 1 -13 0 + 4 e 284 334 etot -8.8114E+01 mv 1 80 1 98 0 + 4 e 412 337 etot -8.7584E+01 mv 1 80 196 156 0 + 4 e 244 342 etot -6.9725E+01 mv 1 80 200 -53 0 + 4 e 168 362 etot -8.7308E+01 mv 1 80 180 10 0 + 4 e 245 340 etot -8.8167E+01 mv 1 80 196 136 0 + 4 e 384 344 etot -7.2121E+01 mv 1 80 200 -185 0 + 4 e 284 352 etot -8.8499E+01 mv 1 80 161 -40 0 + -1 e 1 381 etot 1.3528E+20 mv 1 80 38 -85 0 + 4 e 516 329 etot -8.2523E+01 mv 1 80 36 -67 0 + 4 e 179 365 etot -8.7308E+01 mv 1 80 180 -85 0 + 4 e 292 351 etot -8.4135E+01 mv 1 80 161 46 0 + 4 e 225 364 etot -7.4361E+01 mv 1 80 180 -140 0 + 4 e 167 363 etot -8.7150E+01 mv 1 80 180 170 0 + 4 e 198 361 etot -8.7308E+01 mv 1 80 180 30 0 + 4 e 322 357 etot -8.7184E+01 mv 1 80 174 151 0 + 4 e 335 360 etot -8.5227E+01 mv 1 80 174 -149 0 + 4 e 258 369 etot -6.3421E+01 mv 1 80 59 -54 0 + 4 e 524 339 etot -8.4427E+01 mv 1 80 196 -1 0 + 4 e 253 355 etot -8.9074E+01 mv 1 80 161 -134 0 + 4 e 186 378 etot -8.5802E+01 mv 1 80 41 -175 0 + 4 e 290 368 etot -8.7970E+01 mv 1 80 59 -29 0 + 4 e 398 358 etot -8.6839E+01 mv 1 80 174 -52 0 + 4 e 189 382 etot -7.6891E+01 mv 1 80 38 79 0 + 4 e 545 348 etot -7.6664E+01 mv 1 80 183 -44 0 + 4 e 356 366 etot -8.7969E+01 mv 1 80 59 86 0 + 4 e 453 359 etot -8.2188E+01 mv 1 80 174 -91 0 + 4 e 202 383 etot -8.7217E+01 mv 1 80 38 -115 0 + 4 e 495 356 etot -8.7382E+01 mv 1 80 174 123 0 + 4 e 344 370 etot -8.9865E+01 mv 1 80 59 95 0 + 4 e 257 380 etot -8.7380E+01 mv 1 80 41 193 0 + 4 e 2 404 etot -9.0761E+01 mv 0 80 24 0 0 + 4 e 2 405 etot -8.8359E+01 mv 0 80 139 0 0 + 4 e 2 406 etot -8.8216E+01 mv 0 80 36 0 0 + 4 e 2 407 etot -8.8115E+01 mv 0 80 1 0 0 + 4 e 240 385 etot -8.7216E+01 mv 1 80 38 25 0 + 4 e 2 409 etot -8.7592E+01 mv 0 80 200 0 0 + 4 e 35 403 etot -9.2543E+01 mv 0 80 104 0 0 c 104 0.0 0.0 + 4 e 446 384 etot -7.4946E+01 mv 1 80 38 23 0 + 4 e 424 372 etot -8.8096E+01 mv 1 80 124 188 0 + 4 e 2 410 etot -8.7603E+01 mv 0 80 183 0 0 + 4 e 2 411 etot -8.9075E+01 mv 0 80 161 0 0 + 4 e 343 392 etot -7.6642E+01 mv 1 80 97 195 0 + 4 e 163 401 etot -8.7792E+01 mv 0 80 163 0 0 c 163 1.6 0.0 + 4 e 282 389 etot -8.7211E+01 mv 1 80 81 100 0 + 4 e 384 391 etot -8.7092E+01 mv 1 80 97 5 0 + 4 e 339 397 etot -8.7119E+01 mv 1 80 162 -185 0 +## N0 total= 19 close= 9 far= 0 %acc 47.4 +## N1 total= 101 close= 1 far= 0 %acc 1.0 +## N2 total= 100 close= 1 far= 0 %acc 1.0 +## N3 total= 0 close= 0 far= 0 %acc 0.0 +## N4 total= 0 close= 0 far= 0 %acc 0.0 +## N5 total= 0 close= 0 far= 0 %acc 0.0 +## N6 total= 200 close= 5 far= 0 %acc 2.5 +## N7 total= 0 close= 0 far= 0 %acc 0.0 +## N8 total= 0 close= 0 far= 0 %acc 0.0 +## N9 total= 0 close= 0 far= 0 %acc 0.0 +##N10 total= 0 close= 0 far= 0 %acc 0.0 +##N11 total= 0 close= 0 far= 0 %acc 0.0 +##N12 total= 0 close= 0 far= 0 %acc 0.0 +##N13 total= 0 close= 0 far= 0 %acc 0.0 +##N14 total= 0 close= 0 far= 0 %acc 0.0 +##N15 total= 0 close= 0 far= 0 %acc 0.0 +##N16 total= 0 close= 0 far= 0 %acc 0.0 +##N17 total= 0 close= 0 far= 0 %acc 0.0 +##N18 total= 0 close= 0 far= 0 %acc 0.0 + Time for refresh 81 0.29 + make_var : nseed= 20 ntry= 420 + Time for make trial 82 0.08 +Nonsetup time 159.52 sec, Eval/s = 64707.08 +Time for iter 82 1.75 sec, Eval/s = 67765.14 + UPDATING 420 + 4 e 530 400 etot -8.2115E+01 mv 1 80 162 -177 0 + 4 e 2 412 etot -8.7384E+01 mv 0 80 174 0 0 + 4 e 2 413 etot -8.7309E+01 mv 0 80 180 0 0 + 4 e 45 414 etot -8.7971E+01 mv 0 80 59 0 0 c 59 0.1 0.0 + 4 e 464 395 etot -8.2439E+01 mv 1 80 97 83 0 + 4 e 2 415 etot -8.8097E+01 mv 0 80 124 0 0 + 4 e 2 416 etot -8.7381E+01 mv 0 80 41 0 0 + 4 e 2 417 etot -8.7217E+01 mv 0 80 38 0 0 + 4 e 2 418 etot -8.7212E+01 mv 0 80 81 0 0 + 4 e 474 396 etot -7.7481E+01 mv 1 80 162 31 0 + 4 e 12 419 etot -8.7140E+01 mv 0 80 97 0 0 c 97 0.0 0.0 + 4 e 64 420 etot -8.7120E+01 mv 0 80 162 0 0 c 162 0.3 0.0 + 4 e 748 374 etot -8.4665E+01 mv 1 80 124 117 0 + 4 e 371 399 etot -8.5979E+01 mv 1 80 162 -120 0 + 4 e 568 354 etot -7.7374E+01 mv 1 80 161 -126 0 + 4 e 394 371 etot -8.7073E+01 mv 1 80 124 -75 0 + 4 e 536 386 etot -7.9744E+01 mv 1 80 81 -148 0 + 4 e 120 402 etot -8.9446E+01 mv 0 80 168 0 0 c 168 0.8 0.0 + 4 e 10 408 etot -8.8871E+01 mv 0 80 196 0 0 c 196 0.0 0.0 + -1 e 1 13 etot 1.3528E+20 mv 6 81 3 123 0 + 4 e 292 394 etot -6.8578E+01 mv 1 80 97 194 0 + 4 e 226 390 etot -8.7211E+01 mv 1 80 81 -40 0 + -1 e 1 16 etot 1.3528E+20 mv 6 81 3 116 0 + 4 e 431 398 etot -8.6718E+01 mv 1 80 162 -69 0 + 4 e 551 376 etot -8.2840E+01 mv 1 80 41 -110 0 + 4 e 246 393 etot -8.7139E+01 mv 1 80 97 -92 0 + 4 e 476 379 etot -6.8790E+01 mv 1 80 41 -199 0 + 4 e 354 388 etot -8.7210E+01 mv 1 80 81 110 0 + -1 e 1 21 etot 1.3528E+20 mv 6 81 139 27 0 + 4 e 414 367 etot -8.6596E+01 mv 1 80 59 14 0 + 4 e 192 387 etot -8.7212E+01 mv 1 80 81 117 0 + 4 e 399 375 etot -8.8096E+01 mv 1 80 124 158 0 + 4 e 307 373 etot -8.8096E+01 mv 1 80 124 -86 0 + 4 e 329 377 etot -8.5286E+01 mv 1 80 41 -95 0 + 4 e 191 31 etot -8.6689E+01 mv 6 81 36 147 0 + 4 e 182 6 etot -8.5438E+01 mv 6 81 55 4 0 c 55 32.3 0.1 + 4 e 201 34 etot -8.2017E+01 mv 6 81 36 71 0 + 4 e 213 14 etot -9.0745E+01 mv 6 81 3 183 0 + 4 e 226 32 etot -7.9246E+01 mv 6 81 36 151 0 + 4 e 203 15 etot -9.0745E+01 mv 6 81 3 59 0 + 4 e 229 11 etot -8.7566E+01 mv 6 81 3 140 0 + -1 e 1 41 etot 1.3528E+20 mv 6 81 168 118 0 + 4 e 244 25 etot -8.8359E+01 mv 6 81 139 159 0 + 4 e 257 10 etot -8.5343E+01 mv 6 81 55 106 0 + -1 e 1 44 etot 1.3528E+20 mv 6 81 168 197 0 + 4 e 261 17 etot -8.1815E+01 mv 6 81 3 165 0 + 4 e 263 12 etot -7.7317E+01 mv 6 81 3 4 0 + 4 e 278 28 etot -8.1832E+01 mv 6 81 139 56 0 + 4 e 283 5 etot -8.7208E+01 mv 6 81 55 108 0 + 4 e 278 18 etot -7.9082E+01 mv 6 81 3 138 0 + 4 e 268 3 etot -7.2339E+01 mv 6 81 55 127 0 + 4 e 281 2 etot -8.5342E+01 mv 6 81 55 185 0 + 4 e 291 8 etot -8.1981E+01 mv 6 81 55 165 0 + 4 e 299 30 etot -7.4548E+01 mv 6 81 139 171 0 + 4 e 292 19 etot -9.0776E+01 mv 6 81 3 55 0 + 4 e 323 7 etot -8.7209E+01 mv 6 81 55 64 0 c 97 120.8 0.1 + 4 e 309 9 etot -8.3938E+01 mv 6 81 55 194 0 c 9 137.9 0.2 + 4 e 322 27 etot -8.7395E+01 mv 6 81 139 90 0 + -1 e 1 58 etot 1.3528E+20 mv 6 81 8 45 0 + 4 e 356 4 etot -8.3603E+01 mv 6 81 55 177 0 + 4 e 376 22 etot -8.3548E+01 mv 6 81 139 195 0 + 4 e 385 20 etot -8.9698E+01 mv 6 81 3 64 0 + 4 e 377 23 etot -8.3238E+01 mv 6 81 139 182 0 + 4 e 205 37 etot -8.7772E+01 mv 6 81 36 50 0 + 4 e 324 36 etot -8.8215E+01 mv 6 81 36 106 0 + 4 e 211 56 etot -8.9262E+01 mv 6 81 8 73 0 + 4 e 255 40 etot -8.2536E+01 mv 6 81 36 169 0 + 4 e 482 24 etot -7.9274E+01 mv 6 81 139 7 0 + 4 e 468 1 etot -8.3947E+01 mv 6 81 55 1 0 c 60 36.5 0.0 + 4 e 310 49 etot -8.3879E+01 mv 6 81 168 101 0 + 4 e 206 51 etot -8.7603E+01 mv 6 81 8 183 0 + 4 e 199 53 etot -8.9262E+01 mv 6 81 8 113 0 + 4 e 522 33 etot -7.9791E+01 mv 6 81 36 72 0 + 4 e 501 26 etot -8.1367E+01 mv 6 81 139 181 0 + 4 e 288 60 etot -7.0800E+01 mv 6 81 8 126 0 + 4 e 208 52 etot -7.6335E+01 mv 6 81 8 149 0 + -1 e 1 75 etot 1.3528E+20 mv 6 81 1 121 0 + 4 e 517 29 etot -8.1808E+01 mv 6 81 139 124 0 + 4 e 371 38 etot -7.5877E+01 mv 6 81 36 19 0 + 4 e 266 57 etot -8.9262E+01 mv 6 81 8 67 0 + 4 e 263 61 etot -8.4793E+01 mv 6 81 161 149 0 + 4 e 305 48 etot -7.8255E+01 mv 6 81 168 90 0 + -1 e 1 82 etot 1.3528E+20 mv 6 81 124 11 0 + 4 e 406 43 etot -8.7598E+01 mv 6 81 168 189 0 c 189 51.3 1.0 + 4 e 298 54 etot -8.8115E+01 mv 6 81 8 55 0 + 4 e 335 50 etot -8.7790E+01 mv 6 81 168 150 0 + 4 e 263 65 etot -8.9074E+01 mv 6 81 161 29 0 + -1 e 1 87 etot 1.3528E+20 mv 6 81 124 7 0 + 4 e 344 62 etot -7.4253E+01 mv 6 81 161 163 0 + 4 e 355 55 etot -8.1455E+01 mv 6 81 8 68 0 + 4 e 467 47 etot -8.9443E+01 mv 6 81 168 42 0 + 4 e 412 46 etot -8.8978E+01 mv 6 81 168 34 0 + 4 e 291 66 etot -9.0080E+01 mv 6 81 161 40 0 + 4 e 252 72 etot -7.5897E+01 mv 6 81 1 50 0 + 4 e 189 79 etot -7.6790E+01 mv 6 81 1 6 0 + -1 e 1 95 etot 1.3528E+20 mv 6 81 153 91 0 + 4 e 96 86 etot -8.3751E+01 mv 6 81 124 73 0 c 73 1.1 0.0 + 4 e 216 78 etot -8.5563E+01 mv 6 81 1 130 0 + 4 e 175 80 etot -6.7023E+01 mv 6 81 1 101 0 + 4 e 454 39 etot -8.4685E+01 mv 6 81 36 196 0 + 4 e 493 45 etot -8.8615E+01 mv 6 81 168 179 0 + 4 e 348 63 etot -7.3758E+01 mv 6 81 161 149 0 + 4 e 102 90 etot -8.4302E+01 mv 6 81 124 158 0 + 4 e 561 42 etot -8.7592E+01 mv 6 81 168 139 0 + 4 e 319 70 etot -8.7263E+01 mv 6 81 161 79 0 + 4 e 362 67 etot -8.0049E+01 mv 6 81 161 62 0 + 4 e 294 64 etot -8.6566E+01 mv 6 81 161 143 0 + 4 e 422 59 etot -8.0971E+01 mv 6 81 8 158 0 + 4 e 262 69 etot -8.6567E+01 mv 6 81 161 42 0 + 4 e 63 103 etot -8.4472E+01 mv 6 81 47 15 0 c 15 0.1 0.0 + -1 e 1 109 etot 1.3528E+20 mv 6 81 47 35 0 + 4 e 327 81 etot -8.7884E+01 mv 6 81 124 82 0 + 4 e 336 71 etot -8.5255E+01 mv 6 81 1 121 0 + 4 e 241 91 etot -8.7738E+01 mv 6 81 153 182 0 + 4 e 202 93 etot -8.8055E+01 mv 6 81 153 15 0 + 4 e 433 77 etot -7.3295E+01 mv 6 81 1 10 0 + 4 e 193 99 etot -8.7538E+01 mv 6 81 153 94 0 + 4 e 202 85 etot -8.8207E+01 mv 6 81 124 101 0 + 4 e 634 35 etot -6.7240E+01 mv 6 81 36 169 0 + 4 e 359 73 etot -8.8114E+01 mv 6 81 1 157 0 + 4 e 323 89 etot -8.3394E+01 mv 6 81 124 17 0 + 4 e 148 110 etot -8.5692E+01 mv 6 81 47 45 0 + 4 e 259 98 etot -8.2393E+01 mv 6 81 153 155 0 + 4 e 267 101 etot -8.6617E+01 mv 6 81 47 167 0 + 4 e 597 68 etot -8.1449E+01 mv 6 81 161 109 0 + 4 e 372 74 etot -8.8114E+01 mv 6 81 1 89 0 + 4 e 171 107 etot -7.4341E+01 mv 6 81 47 139 0 + 4 e 450 84 etot -7.7257E+01 mv 6 81 124 85 0 + 4 e 325 96 etot -8.5169E+01 mv 6 81 153 157 0 + 4 e 324 97 etot -8.6904E+01 mv 6 81 153 178 0 + 4 e 328 83 etot -8.7884E+01 mv 6 81 124 34 0 + 4 e 385 92 etot -8.0001E+01 mv 6 81 153 16 0 + -1 e 1 132 etot 1.3528E+20 mv 6 81 100 196 0 + 4 e 251 111 etot -8.8167E+01 mv 6 81 196 49 0 + 4 e 318 105 etot -8.5477E+01 mv 6 81 47 171 0 + 4 e 525 76 etot -6.9925E+01 mv 6 81 1 163 0 + 4 e 254 100 etot -8.4946E+01 mv 6 81 153 196 0 + -1 e 1 136 etot 1.3528E+20 mv 6 81 100 20 0 + 4 e 346 104 etot -8.7799E+01 mv 6 81 47 62 0 + 4 e 334 106 etot -8.0062E+01 mv 6 81 47 67 0 + 4 e 532 88 etot -7.5933E+01 mv 6 81 124 139 0 + 4 e 288 112 etot -8.7233E+01 mv 6 81 196 137 0 + 4 e 279 117 etot -8.0907E+01 mv 6 81 196 125 0 + 4 e 461 102 etot -8.0993E+01 mv 6 81 47 170 0 + 4 e 502 94 etot -8.4583E+01 mv 6 81 153 69 0 + 4 e 308 114 etot -8.3705E+01 mv 6 81 196 74 0 + 4 e 233 122 etot -8.0816E+01 mv 6 81 183 38 0 + 4 e 339 116 etot -8.5194E+01 mv 6 81 196 177 0 f 166 367.8 2.2 + 4 e 363 113 etot -7.2520E+01 mv 6 81 196 89 0 + 4 e 274 124 etot -8.5430E+01 mv 6 81 183 41 0 + 4 e 316 121 etot -7.4719E+01 mv 6 81 183 119 0 + 4 e 330 123 etot -8.3384E+01 mv 6 81 183 31 0 + 4 e 343 108 etot -8.5275E+01 mv 6 81 47 111 0 + 4 e 425 115 etot -8.4306E+01 mv 6 81 196 34 0 + 4 e 272 133 etot -7.9494E+01 mv 6 81 100 87 0 + 4 e 354 128 etot -7.6985E+01 mv 6 81 183 164 0 + 4 e 267 138 etot -8.8415E+01 mv 6 81 100 49 0 + 4 e 354 130 etot -7.5959E+01 mv 6 81 183 106 0 + 4 e 313 135 etot -8.4520E+01 mv 6 81 100 18 0 + 4 e 320 134 etot -7.9900E+01 mv 6 81 100 184 0 + 4 e 376 129 etot -8.1676E+01 mv 6 81 183 175 0 + 4 e 256 141 etot -7.5657E+01 mv 6 81 200 198 0 + 4 e 252 131 etot -7.1147E+01 mv 6 81 100 79 0 + 4 e 312 120 etot -8.8568E+01 mv 6 81 196 100 0 + 4 e 330 139 etot -8.0255E+01 mv 6 81 100 25 0 + 4 e 277 143 etot -7.4866E+01 mv 6 81 200 24 0 + 4 e 472 125 etot -7.7393E+01 mv 6 81 183 169 0 + -1 e 1 167 etot 3.8222E+27 mv 6 81 174 17 0 + 4 e 199 151 etot -8.9427E+01 mv 6 81 79 168 0 + 4 e 285 144 etot -8.0482E+01 mv 6 81 200 190 0 + -1 e 1 170 etot 1.3528E+20 mv 6 81 174 34 0 + 4 e 248 149 etot -8.6535E+01 mv 6 81 200 188 0 + 4 e 353 127 etot -7.4911E+01 mv 6 81 183 71 0 + 4 e 315 146 etot -7.8242E+01 mv 6 81 200 179 0 + 4 e 414 119 etot -8.8253E+01 mv 6 81 196 104 0 + 4 e 378 142 etot -8.3504E+01 mv 6 81 200 71 0 + 4 e 219 154 etot -8.9605E+01 mv 6 81 79 110 0 + 4 e 478 140 etot -8.2689E+01 mv 6 81 100 197 0 + 4 e 290 152 etot -8.1245E+01 mv 6 81 79 51 0 + 4 e 241 161 etot -7.9150E+01 mv 6 81 174 97 0 + 4 e 434 147 etot -8.3074E+01 mv 6 81 200 125 0 + 4 e 243 153 etot -8.9605E+01 mv 6 81 79 136 0 + 4 e 319 157 etot -8.8229E+01 mv 6 81 79 122 0 + 4 e 336 159 etot -7.6001E+01 mv 6 81 79 184 0 + 4 e 216 163 etot -8.6704E+01 mv 6 81 174 115 0 + 4 e 240 172 etot -8.5988E+01 mv 6 81 180 53 0 + 4 e 497 148 etot -7.8034E+01 mv 6 81 200 157 0 + 4 e 140 179 etot -8.7309E+01 mv 6 81 180 187 0 + 4 e 184 177 etot -7.7320E+01 mv 6 81 180 89 0 + 4 e 369 160 etot -8.7642E+01 mv 6 81 79 137 0 + 4 e 581 145 etot -8.1001E+01 mv 6 81 200 42 0 + -1 e 1 191 etot 1.3528E+20 mv 6 81 51 56 0 + 4 e 468 137 etot -8.2688E+01 mv 6 81 100 199 0 + 4 e 374 162 etot -8.2896E+01 mv 6 81 174 195 0 + -1 e 1 194 etot 1.3528E+20 mv 6 81 51 33 0 + 4 e 327 166 etot -8.4513E+01 mv 6 81 174 160 0 + 4 e 247 176 etot -8.3387E+01 mv 6 81 180 27 0 + 4 e 111 183 etot -8.4358E+01 mv 6 81 38 138 0 + 4 e 447 158 etot -7.5859E+01 mv 6 81 79 196 0 + 4 e 416 165 etot -8.5253E+01 mv 6 81 174 170 0 + 4 e 367 168 etot -8.4410E+01 mv 6 81 174 21 0 + 4 e 590 150 etot -8.0190E+01 mv 6 81 200 42 0 + 4 e 320 174 etot -8.5627E+01 mv 6 81 180 122 0 + 4 e 510 155 etot -8.2935E+01 mv 6 81 79 125 0 + 4 e 544 126 etot -8.7118E+01 mv 6 81 183 47 0 + 4 e 412 171 etot -8.0593E+01 mv 6 81 180 53 0 + 4 e 247 175 etot -8.0091E+01 mv 6 81 180 72 0 + -1 e 1 207 etot 1.3528E+20 mv 2 81 3 -123 0 + 4 e 266 181 etot -7.7578E+01 mv 6 81 38 36 0 + 4 e 434 169 etot -7.4263E+01 mv 6 81 174 163 0 + 4 e 626 118 etot -8.7771E+01 mv 6 81 196 21 0 + 4 e 307 180 etot -8.6227E+01 mv 6 81 180 43 0 + 4 e 590 156 etot -8.6886E+01 mv 6 81 79 102 0 + 4 e 203 190 etot -6.6541E+01 mv 6 81 38 198 0 + 4 e 142 201 etot -8.5343E+01 mv 2 81 55 197 0 + 4 e 207 192 etot -8.5563E+01 mv 6 81 51 130 0 + -1 e 1 216 etot 1.2172E+29 mv 2 81 36 12 0 + 4 e 160 203 etot -8.5343E+01 mv 2 81 55 -53 0 + 4 e 186 202 etot -7.1523E+01 mv 2 81 55 89 0 + 4 e 289 187 etot -7.3104E+01 mv 6 81 38 46 0 + 4 e 284 189 etot -8.0815E+01 mv 6 81 38 67 0 + 4 e 181 204 etot -8.5342E+01 mv 2 81 55 17 0 + 4 e 323 186 etot -9.0082E+01 mv 6 81 38 149 0 + 4 e 466 164 etot -7.6030E+01 mv 6 81 174 139 0 + 4 e 484 178 etot -9.0082E+01 mv 6 81 180 122 0 + 4 e 161 210 etot -9.0455E+01 mv 2 81 3 -185 0 + 4 e 293 196 etot -7.9543E+01 mv 6 81 51 9 0 + 4 e 133 213 etot -8.8359E+01 mv 2 81 139 22 0 + 4 e 223 193 etot -8.4441E+01 mv 6 81 51 3 0 + -1 e 1 229 etot 1.3528E+20 mv 2 81 8 -104 0 + 4 e 326 195 etot -8.3191E+01 mv 6 81 51 199 0 + 4 e 331 197 etot -7.5069E+01 mv 6 81 51 114 0 + 4 e 404 184 etot -7.6161E+01 mv 6 81 38 146 0 + 4 e 282 185 etot -8.4106E+01 mv 6 81 38 188 0 + 4 e 312 182 etot -8.3608E+01 mv 6 81 38 190 0 + 4 e 325 199 etot -8.3191E+01 mv 6 81 51 179 0 + 4 e 215 212 etot -8.6677E+01 mv 2 81 139 -141 0 + 4 e 180 219 etot -8.7459E+01 mv 2 81 36 79 0 + 4 e 339 209 etot -7.8431E+01 mv 2 81 3 -13 0 + 4 e 148 228 etot -8.9262E+01 mv 2 81 8 -190 0 + 4 e 510 173 etot -8.2739E+01 mv 6 81 180 118 0 + 4 e 446 198 etot -8.6874E+01 mv 6 81 51 87 0 + 4 e 188 226 etot -6.6207E+01 mv 2 81 8 131 0 + -1 e 1 242 etot 1.3528E+20 mv 2 81 124 91 0 + 4 e 179 227 etot -8.9262E+01 mv 2 81 8 -81 0 + 4 e 172 231 etot -8.9075E+01 mv 2 81 161 89 0 + 4 e 296 218 etot -8.0327E+01 mv 2 81 36 -150 0 + 4 e 312 217 etot -8.0427E+01 mv 2 81 36 59 0 + 4 e 616 188 etot -7.6587E+01 mv 6 81 38 73 0 + 4 e 464 206 etot -8.0635E+01 mv 2 81 3 6 0 + 4 e 286 211 etot -7.4084E+01 mv 2 81 139 -13 0 + 4 e 408 214 etot -7.5335E+01 mv 2 81 139 -133 0 + 4 e 393 215 etot -8.8358E+01 mv 2 81 139 -189 0 + 4 e 303 225 etot -8.8105E+01 mv 2 81 168 -17 0 + 4 e 551 200 etot -7.8722E+01 mv 6 81 51 163 0 + 4 e 312 205 etot -7.7205E+01 mv 2 81 55 -60 0 + -1 e 1 256 etot 1.3528E+20 mv 2 81 196 157 0 + 4 e 373 222 etot -8.9315E+01 mv 2 81 168 162 0 c 96 11.4 0.1 + 4 e 397 221 etot -7.1624E+01 mv 2 81 168 124 0 + 4 e 314 236 etot -8.8115E+01 mv 2 81 1 200 0 + 4 e 390 223 etot -8.8861E+01 mv 2 81 168 67 0 + 4 e 229 243 etot -8.8097E+01 mv 2 81 124 15 0 + -1 e 1 262 etot 1.2940E+22 mv 2 81 183 -153 0 + 4 e 373 233 etot -8.2201E+01 mv 2 81 161 180 0 + 4 e 132 253 etot -8.7800E+01 mv 2 81 47 33 0 + 4 e 323 238 etot -7.4615E+01 mv 2 81 1 -21 0 + 4 e 491 220 etot -8.1140E+01 mv 2 81 36 56 0 + 4 e 307 239 etot -7.6826E+01 mv 2 81 1 155 0 + 4 e 133 258 etot -8.8871E+01 mv 2 81 196 -134 0 + 4 e 216 241 etot -8.8097E+01 mv 2 81 124 119 0 + 4 e 194 250 etot -8.8055E+01 mv 2 81 153 51 0 + 4 e 295 245 etot -7.3249E+01 mv 2 81 124 -106 0 + 4 e 463 208 etot -8.3947E+01 mv 2 81 3 -157 0 + 4 e 309 244 etot -8.8097E+01 mv 2 81 124 49 0 + 4 e 322 230 etot -7.8380E+01 mv 2 81 8 26 0 + 4 e 346 240 etot -8.5454E+01 mv 2 81 1 -110 0 + 4 e 380 224 etot -7.2520E+01 mv 2 81 168 -16 0 + 4 e 196 259 etot -8.8871E+01 mv 2 81 196 24 0 + 4 e 164 257 etot -8.8871E+01 mv 2 81 196 182 0 + 4 e 275 252 etot -7.3952E+01 mv 2 81 47 165 0 + 4 e 378 247 etot -8.9058E+01 mv 2 81 153 -69 0 + 4 e 294 255 etot -8.5622E+01 mv 2 81 47 194 0 + 4 e 177 265 etot -8.7603E+01 mv 2 81 183 31 0 + 4 e 566 232 etot -7.9475E+01 mv 2 81 161 -77 0 + 4 e 256 260 etot -8.5326E+01 mv 2 81 196 48 0 + 4 e 387 249 etot -7.3796E+01 mv 2 81 153 -114 0 + 4 e 424 248 etot -8.6364E+01 mv 2 81 153 30 0 + 4 e 373 254 etot -8.6313E+01 mv 2 81 47 128 0 + 4 e 210 268 etot -8.8415E+01 mv 2 81 100 -166 0 + 4 e 667 237 etot -7.0350E+01 mv 2 81 1 -123 0 + 4 e 223 274 etot -6.5852E+01 mv 2 81 200 -102 0 + 4 e 354 261 etot -7.8213E+01 mv 2 81 183 -55 0 + 4 e 290 267 etot -8.6986E+01 mv 2 81 100 -127 0 + 4 e 311 266 etot -7.7790E+01 mv 2 81 100 59 0 + 4 e 309 251 etot -7.8433E+01 mv 2 81 47 -180 0 + 4 e 284 271 etot -7.9411E+01 mv 2 81 200 18 0 + 4 e 564 246 etot -8.1694E+01 mv 2 81 153 -145 0 + -1 e 1 297 etot 1.3528E+20 mv 2 81 51 16 0 + 4 e 219 278 etot -8.9605E+01 mv 2 81 79 66 0 + 4 e 219 280 etot -7.2695E+01 mv 2 81 79 95 0 + 4 e 207 275 etot -8.7592E+01 mv 2 81 200 89 0 + 4 e 186 283 etot -8.5919E+01 mv 2 81 174 -98 0 + 4 e 377 264 etot -8.7425E+01 mv 2 81 183 145 0 + 4 e 526 235 etot -8.1766E+01 mv 2 81 161 -154 0 + 4 e 246 273 etot -8.6101E+01 mv 2 81 200 -70 0 + 4 e 216 285 etot -8.7383E+01 mv 2 81 174 182 0 + 4 e 265 281 etot -8.6840E+01 mv 2 81 174 -115 0 + 4 e 390 272 etot -8.4241E+01 mv 2 81 200 -155 0 + -1 e 1 308 etot 1.3528E+20 mv 1 81 3 6 0 + 4 e 452 263 etot -8.7602E+01 mv 2 81 183 26 0 + 4 e 235 287 etot -8.5167E+01 mv 2 81 180 -30 0 + 4 e 573 234 etot -6.9679E+01 mv 2 81 161 -172 0 + 4 e 220 288 etot -8.6569E+01 mv 2 81 180 -91 0 + -1 e 1 313 etot 1.3528E+20 mv 1 81 139 135 0 + 4 e 163 293 etot -8.7217E+01 mv 2 81 38 139 0 + 4 e 437 269 etot -8.2142E+01 mv 2 81 100 155 0 + 4 e 437 276 etot -7.9534E+01 mv 2 81 79 6 0 + 4 e 272 289 etot -7.7121E+01 mv 2 81 180 -37 0 + -1 e 1 318 etot 1.3528E+20 mv 1 81 36 148 0 + 4 e 140 295 etot -7.0220E+01 mv 2 81 38 32 0 + -1 e 1 320 etot 1.3528E+20 mv 1 81 36 -90 0 + 4 e 309 286 etot -8.4543E+01 mv 2 81 180 -100 0 + 4 e 252 291 etot -8.7217E+01 mv 2 81 38 -16 0 + 4 e 415 282 etot -7.6846E+01 mv 2 81 174 196 0 + 4 e 291 290 etot -8.7307E+01 mv 2 81 180 -78 0 + 4 e 231 299 etot -7.3824E+01 mv 2 81 51 -128 0 + 4 e 392 270 etot -8.8414E+01 mv 2 81 100 -139 0 + 4 e 162 311 etot -7.6371E+01 mv 1 81 139 11 0 + 4 e 343 292 etot -8.7216E+01 mv 2 81 38 188 0 + 4 e 279 303 etot -8.5343E+01 mv 1 81 55 -11 0 + 4 e 337 296 etot -7.5030E+01 mv 2 81 51 150 0 + 4 e 320 302 etot -7.3298E+01 mv 1 81 55 -155 0 + 4 e 229 315 etot -8.8359E+01 mv 1 81 139 -125 0 + 4 e 301 306 etot -7.9325E+01 mv 1 81 3 -84 0 + 4 e 556 284 etot -8.3576E+01 mv 2 81 174 147 0 + 4 e 365 300 etot -8.2505E+01 mv 2 81 51 100 0 + 4 e 292 310 etot -9.0745E+01 mv 1 81 3 159 0 + 4 e 272 316 etot -7.2708E+01 mv 1 81 36 -182 0 + 4 e 453 294 etot -8.7216E+01 mv 2 81 38 39 0 + 4 e 418 298 etot -7.9108E+01 mv 2 81 51 174 0 + 4 e 185 328 etot -8.9262E+01 mv 1 81 8 94 0 + 4 e 351 314 etot -8.2126E+01 mv 1 81 139 -31 0 + 4 e 189 329 etot -8.9262E+01 mv 1 81 8 -44 0 + 4 e 138 332 etot -8.9075E+01 mv 1 81 161 84 0 + 4 e 323 322 etot -7.2521E+01 mv 1 81 168 195 0 + 4 e 252 326 etot -8.9262E+01 mv 1 81 8 176 0 + 4 e 263 324 etot -8.4039E+01 mv 1 81 168 98 0 + 4 e 226 321 etot -8.9446E+01 mv 1 81 168 94 0 + 4 e 351 317 etot -6.7132E+01 mv 1 81 36 -146 0 + 4 e 427 307 etot -8.9419E+01 mv 1 81 3 -43 0 + 4 e 306 325 etot -8.9341E+01 mv 1 81 168 86 0 + 4 e 445 309 etot -8.1679E+01 mv 1 81 3 137 0 + 4 e 215 331 etot -8.9075E+01 mv 1 81 161 134 0 + 4 e 397 323 etot -8.9444E+01 mv 1 81 168 66 0 + 4 e 346 312 etot -7.8026E+01 mv 1 81 139 -121 0 + 4 e 224 336 etot -8.8114E+01 mv 1 81 1 92 0 + 4 e 305 330 etot -8.9262E+01 mv 1 81 8 -66 0 + 4 e 464 319 etot -7.6672E+01 mv 1 81 36 184 0 + 4 e 119 350 etot -8.8055E+01 mv 1 81 153 50 0 + 4 e 145 346 etot -8.8055E+01 mv 1 81 153 -122 0 + 4 e 397 305 etot -6.4527E+01 mv 1 81 55 -29 0 + 4 e 255 338 etot -8.8114E+01 mv 1 81 1 158 0 + 4 e 152 349 etot -8.8055E+01 mv 1 81 153 -30 0 + 4 e 206 347 etot -8.8055E+01 mv 1 81 153 7 0 + 4 e 323 335 etot -8.9073E+01 mv 1 81 161 -34 0 + 4 e 223 345 etot -8.7561E+01 mv 1 81 124 17 0 + 4 e 312 340 etot -8.8114E+01 mv 1 81 1 105 0 + 4 e 499 301 etot -7.8893E+01 mv 1 81 55 71 0 + 4 e 380 333 etot -8.8886E+01 mv 1 81 161 -190 0 + 4 e 382 334 etot -7.4712E+01 mv 1 81 161 -108 0 + 4 e 126 358 etot -8.8871E+01 mv 1 81 196 -177 0 + 4 e 197 353 etot -7.1401E+01 mv 1 81 47 -133 0 + 4 e 359 339 etot -6.5796E+01 mv 1 81 1 -7 0 + 4 e 226 351 etot -8.7800E+01 mv 1 81 47 -3 0 + 4 e 173 354 etot -7.2851E+01 mv 1 81 47 -76 0 + 4 e 495 304 etot -8.4983E+01 mv 1 81 55 45 0 + 4 e 301 343 etot -8.8097E+01 mv 1 81 124 -190 0 + 4 e 709 279 etot -8.3046E+01 mv 2 81 79 -69 0 f 89 360.3 0.1 + 4 e 356 341 etot -7.7950E+01 mv 1 81 124 173 0 + 4 e 284 352 etot -8.7800E+01 mv 1 81 47 -68 0 + 4 e 336 344 etot -8.7438E+01 mv 1 81 124 -38 0 + 4 e 761 277 etot -8.6868E+01 mv 2 81 79 44 0 + 4 e 399 342 etot -7.3748E+01 mv 1 81 124 -188 0 + 4 e 183 355 etot -7.3632E+01 mv 1 81 47 -108 0 + -1 e 1 384 etot 1.3528E+20 mv 1 81 174 87 0 + -1 e 1 385 etot 1.3528E+20 mv 1 81 174 -130 0 + 4 e 163 375 etot -8.7592E+01 mv 1 81 200 82 0 + 4 e 556 337 etot -7.8933E+01 mv 1 81 1 -182 0 + 4 e 209 369 etot -8.8415E+01 mv 1 81 100 54 0 + 4 e 354 359 etot -7.1267E+01 mv 1 81 196 -103 0 + 4 e 493 327 etot -8.8565E+01 mv 1 81 8 -37 0 + 4 e 252 370 etot -8.8414E+01 mv 1 81 100 -86 0 + 4 e 177 380 etot -8.9605E+01 mv 1 81 79 -30 0 + 4 e 195 379 etot -8.9605E+01 mv 1 81 79 132 0 + 4 e 399 357 etot -8.2966E+01 mv 1 81 196 121 0 + 4 e 311 366 etot -8.5302E+01 mv 1 81 100 -49 0 + 4 e 300 367 etot -8.8415E+01 mv 1 81 100 194 0 + 4 e 365 348 etot -8.3679E+01 mv 1 81 153 -191 0 + 4 e 168 383 etot -8.7326E+01 mv 1 81 174 117 0 + 4 e 371 362 etot -7.9567E+01 mv 1 81 183 -163 0 + 4 e 199 381 etot -8.7383E+01 mv 1 81 174 107 0 + 4 e 381 363 etot -8.7603E+01 mv 1 81 183 -110 0 + 4 e 2 402 etot -9.0746E+01 mv 0 81 3 0 0 + 4 e 268 361 etot -8.7603E+01 mv 1 81 183 199 0 + 4 e 2 403 etot -8.8359E+01 mv 0 81 139 0 0 + 4 e 2 404 etot -8.8216E+01 mv 0 81 36 0 0 + 4 e 124 386 etot -8.7308E+01 mv 1 81 180 93 0 + 4 e 416 360 etot -8.1698E+01 mv 1 81 196 -24 0 + 4 e 2 408 etot -8.8115E+01 mv 0 81 1 0 0 + 4 e 2 407 etot -8.9075E+01 mv 0 81 161 0 0 + 4 e 10 406 etot -8.9262E+01 mv 0 81 8 0 0 c 8 0.0 0.0 + 4 e 2 409 etot -8.8097E+01 mv 0 81 124 0 0 + 4 e 315 374 etot -8.7592E+01 mv 1 81 200 -64 0 + 4 e 2 410 etot -8.8055E+01 mv 0 81 153 0 0 + 4 e 2 413 etot -8.7603E+01 mv 0 81 183 0 0 + 4 e 2 415 etot -8.7592E+01 mv 0 81 200 0 0 + 4 e 10 412 etot -8.8871E+01 mv 0 81 196 0 0 + 4 e 10 411 etot -8.7801E+01 mv 0 81 47 0 0 c 47 0.0 0.0 + 4 e 2 417 etot -8.7384E+01 mv 0 81 174 0 0 + 4 e 2 419 etot -8.7217E+01 mv 0 81 38 0 0 +## N0 total= 25 close= 7 far= 0 %acc 28.0 +## N1 total= 95 close= 0 far= 0 %acc 0.0 +## N2 total= 100 close= 1 far= 1 %acc 2.0 +## N3 total= 0 close= 0 far= 0 %acc 0.0 +## N4 total= 0 close= 0 far= 0 %acc 0.0 +## N5 total= 0 close= 0 far= 0 %acc 0.0 +## N6 total= 200 close= 7 far= 1 %acc 4.0 +## N7 total= 0 close= 0 far= 0 %acc 0.0 +## N8 total= 0 close= 0 far= 0 %acc 0.0 +## N9 total= 0 close= 0 far= 0 %acc 0.0 +##N10 total= 0 close= 0 far= 0 %acc 0.0 +##N11 total= 0 close= 0 far= 0 %acc 0.0 +##N12 total= 0 close= 0 far= 0 %acc 0.0 +##N13 total= 0 close= 0 far= 0 %acc 0.0 +##N14 total= 0 close= 0 far= 0 %acc 0.0 +##N15 total= 0 close= 0 far= 0 %acc 0.0 +##N16 total= 0 close= 0 far= 0 %acc 0.0 +##N17 total= 0 close= 0 far= 0 %acc 0.0 +##N18 total= 0 close= 0 far= 0 %acc 0.0 + Time for refresh 82 0.30 + make_var : nseed= 20 ntry= 420 + Time for make trial 83 0.05 +Nonsetup time 161.26 sec, Eval/s = 64754.77 +Time for iter 83 1.75 sec, Eval/s = 69111.41 + UPDATING 420 + 4 e 552 356 etot -8.3392E+01 mv 1 81 196 115 0 + 4 e 240 387 etot -7.8789E+01 mv 1 81 180 139 0 + 4 e 561 377 etot -7.8519E+01 mv 1 81 79 -155 0 + 4 e 255 389 etot -7.9225E+01 mv 1 81 180 101 0 + 4 e 221 395 etot -8.7217E+01 mv 1 81 38 -153 0 + 4 e 326 397 etot -7.7990E+01 mv 1 81 51 52 0 + 4 e 43 420 etot -8.6876E+01 mv 0 81 51 0 0 c 51 0.1 0.0 + 4 e 241 394 etot -6.9277E+01 mv 1 81 38 -7 0 + 4 e 150 393 etot -8.6810E+01 mv 1 81 38 -63 0 + 4 e 561 373 etot -7.9803E+01 mv 1 81 200 -26 0 + 4 e 527 364 etot -8.6757E+01 mv 1 81 183 -200 0 + 4 e 159 390 etot -8.7308E+01 mv 1 81 180 171 0 + 4 e 250 388 etot -8.7308E+01 mv 1 81 180 -88 0 + 4 e 63 416 etot -8.9606E+01 mv 0 81 79 0 0 c 79 0.5 0.0 + 4 e 267 399 etot -8.6876E+01 mv 1 81 51 11 0 + 4 e 553 372 etot -8.7591E+01 mv 1 81 200 35 0 + -1 e 1 4 etot 1.3528E+20 mv 6 82 12 161 0 + 4 e 619 400 etot -8.6874E+01 mv 1 81 51 23 0 + 4 e 377 392 etot -8.3922E+01 mv 1 81 38 -41 0 + 4 e 439 371 etot -8.7590E+01 mv 1 81 200 -130 0 + 4 e 184 396 etot -8.6876E+01 mv 1 81 51 112 0 + 4 e 460 365 etot -7.9341E+01 mv 1 81 183 42 0 + -1 e 1 12 etot 1.3528E+20 mv 6 82 24 44 0 + 4 e 102 401 etot -8.5343E+01 mv 0 81 55 0 0 + 4 e 78 405 etot -8.9446E+01 mv 0 81 168 0 0 c 168 0.5 0.0 + 4 e 234 378 etot -8.9605E+01 mv 1 81 79 -149 0 + 4 e 281 376 etot -8.8134E+01 mv 1 81 79 128 0 + -1 e 1 20 etot 1.3528E+20 mv 6 82 24 47 0 + 4 e 52 414 etot -8.8415E+01 mv 0 81 100 0 0 c 100 0.1 0.0 + 4 e 410 398 etot -7.2792E+01 mv 1 81 51 -28 0 + 4 e 2 418 etot -8.7309E+01 mv 0 81 180 0 0 + 4 e 295 368 etot -7.5330E+01 mv 1 81 100 -97 0 + 4 e 366 382 etot -6.9044E+01 mv 1 81 174 54 0 + 4 e 154 391 etot -8.7217E+01 mv 1 81 38 -105 0 + -1 e 1 31 etot 1.3528E+20 mv 6 82 88 168 0 + -1 e 1 32 etot 1.3528E+20 mv 6 82 88 101 0 + -1 e 1 10 etot 1.3528E+20 mv 6 82 12 147 0 + 4 e 143 1 etot -6.2285E+01 mv 6 82 12 155 0 + 4 e 164 2 etot -7.0610E+01 mv 6 82 12 123 0 + 4 e 161 3 etot -8.3515E+01 mv 6 82 12 48 0 + 4 e 199 7 etot -7.8339E+01 mv 6 82 12 144 0 + 4 e 191 23 etot -9.0337E+01 mv 6 82 40 37 0 + 4 e 198 25 etot -8.9547E+01 mv 6 82 40 25 0 + 4 e 226 5 etot -8.4950E+01 mv 6 82 12 153 0 + 4 e 243 17 etot -8.0949E+01 mv 6 82 24 17 0 + 4 e 220 22 etot -9.0337E+01 mv 6 82 40 92 0 + 4 e 228 15 etot -8.4738E+01 mv 6 82 24 30 0 + 4 e 254 9 etot -7.4618E+01 mv 6 82 12 37 0 + 4 e 274 11 etot -8.5796E+01 mv 6 82 24 186 0 + 4 e 279 18 etot -8.0336E+01 mv 6 82 24 15 0 + 4 e 300 28 etot -7.8607E+01 mv 6 82 40 105 0 + 4 e 304 26 etot -8.3251E+01 mv 6 82 40 175 0 + 4 e 284 24 etot -8.6463E+01 mv 6 82 40 177 0 + 4 e 394 6 etot -8.4746E+01 mv 6 82 12 115 0 + 4 e 320 29 etot -8.4079E+01 mv 6 82 40 127 0 + 4 e 314 37 etot -8.3396E+01 mv 6 82 88 177 0 + 4 e 350 27 etot -7.8408E+01 mv 6 82 40 142 0 + 4 e 86 48 etot -8.3710E+01 mv 6 82 163 91 0 + 4 e 179 40 etot -9.2490E+01 mv 6 82 88 40 0 + 4 e 352 14 etot -8.0680E+01 mv 6 82 24 101 0 + 4 e 375 33 etot -7.9028E+01 mv 6 82 88 169 0 + 4 e 263 45 etot -8.7792E+01 mv 6 82 163 77 0 + 4 e 415 13 etot -7.3390E+01 mv 6 82 24 179 0 + 4 e 483 16 etot -8.6568E+01 mv 6 82 24 75 0 + 4 e 227 47 etot -8.3479E+01 mv 6 82 163 87 0 + 4 e 523 19 etot -8.4400E+01 mv 6 82 24 78 0 + 4 e 393 44 etot -8.1374E+01 mv 6 82 163 96 0 + 4 e 261 43 etot -8.6765E+01 mv 6 82 163 60 0 + -1 e 1 68 etot 1.3528E+20 mv 6 82 81 141 0 + 4 e 250 54 etot -7.5742E+01 mv 6 82 92 160 0 + 4 e 260 51 etot -8.4374E+01 mv 6 82 92 158 0 + 4 e 487 21 etot -8.5595E+01 mv 6 82 40 26 0 + -1 e 1 72 etot 1.3528E+20 mv 6 82 192 168 0 + 4 e 184 53 etot -8.7443E+01 mv 6 82 92 152 0 + -1 e 1 74 etot 1.3528E+20 mv 6 82 192 101 0 + 4 e 424 38 etot -8.6120E+01 mv 6 82 88 141 0 f 19 372.7 3.1 + 4 e 191 60 etot -6.9675E+01 mv 6 82 92 84 0 + 4 e 523 41 etot -8.5406E+01 mv 6 82 163 7 0 + 4 e 567 36 etot -7.6258E+01 mv 6 82 88 10 0 + 4 e 276 49 etot -8.7526E+01 mv 6 82 163 188 0 + 4 e 378 50 etot -8.2806E+01 mv 6 82 163 121 0 + -1 e 1 81 etot 1.3528E+20 mv 6 82 157 97 0 + 4 e 233 62 etot -8.9605E+01 mv 6 82 81 101 0 + 4 e 198 61 etot -8.7211E+01 mv 6 82 81 171 0 + -1 e 1 84 etot 1.3528E+20 mv 6 82 157 64 0 + -1 e 1 85 etot 1.3528E+20 mv 6 82 157 133 0 + 4 e 458 39 etot -8.1128E+01 mv 6 82 88 95 0 + 4 e 135 71 etot -6.9231E+01 mv 6 82 192 31 0 + 4 e 261 57 etot -8.7443E+01 mv 6 82 92 17 0 + 4 e 197 63 etot -8.9605E+01 mv 6 82 81 34 0 + 4 e 264 56 etot -8.3019E+01 mv 6 82 92 44 0 + 4 e 272 64 etot -8.4509E+01 mv 6 82 81 14 0 + 4 e 610 8 etot -7.9429E+01 mv 6 82 12 17 0 + 4 e 641 30 etot -8.2509E+01 mv 6 82 40 19 0 + 4 e 241 67 etot -7.7866E+01 mv 6 82 81 53 0 + 4 e 495 42 etot -8.7221E+01 mv 6 82 163 138 0 + 4 e 248 70 etot -8.4074E+01 mv 6 82 81 137 0 + 4 e 236 65 etot -8.7211E+01 mv 6 82 81 124 0 + 4 e 288 66 etot -7.8646E+01 mv 6 82 81 191 0 + 4 e 684 34 etot -7.8743E+01 mv 6 82 88 12 0 + -1 e 1 100 etot 1.3528E+20 mv 6 82 147 198 0 + 4 e 413 59 etot -7.4012E+01 mv 6 82 92 186 0 + 4 e 366 52 etot -8.6059E+01 mv 6 82 92 40 0 + 4 e 221 76 etot -8.7065E+01 mv 6 82 192 2 0 + 4 e 694 35 etot -8.7118E+01 mv 6 82 88 29 0 + 4 e 255 69 etot -7.9454E+01 mv 6 82 81 156 0 + 4 e 209 82 etot -7.6047E+01 mv 6 82 157 102 0 + 4 e 253 75 etot -8.4577E+01 mv 6 82 192 1 0 + 4 e 393 58 etot -7.2165E+01 mv 6 82 92 84 0 + -1 e 1 109 etot 1.3528E+20 mv 6 82 37 136 0 + 4 e 118 96 etot -8.3773E+01 mv 6 82 147 81 0 + 4 e 332 73 etot -8.4738E+01 mv 6 82 192 67 0 + 4 e 310 83 etot -8.4994E+01 mv 6 82 157 3 0 + 4 e 228 91 etot -6.5276E+01 mv 6 82 147 95 0 + 4 e 345 77 etot -8.1808E+01 mv 6 82 192 14 0 + 4 e 311 88 etot -8.6797E+01 mv 6 82 157 93 0 + 4 e 206 99 etot -8.6415E+01 mv 6 82 147 23 0 + 4 e 676 46 etot -8.2091E+01 mv 6 82 163 185 0 + 4 e 300 92 etot -7.5425E+01 mv 6 82 147 163 0 + 4 e 417 78 etot -8.5773E+01 mv 6 82 192 66 0 + 4 e 250 104 etot -8.6181E+01 mv 6 82 37 126 0 + 4 e 328 95 etot -8.4699E+01 mv 6 82 147 26 0 + -1 e 1 122 etot 1.5893E+23 mv 6 82 48 198 0 + 4 e 334 93 etot -8.0166E+01 mv 6 82 147 118 0 + 4 e 373 90 etot -8.5930E+01 mv 6 82 157 102 0 + -1 e 1 125 etot 1.3528E+20 mv 6 82 48 8 0 + -1 e 1 126 etot 1.3528E+20 mv 6 82 48 45 0 + 4 e 139 115 etot -6.6011E+01 mv 6 82 184 197 0 + 4 e 262 94 etot -7.7652E+01 mv 6 82 147 73 0 + 4 e 233 101 etot -8.0506E+01 mv 6 82 37 153 0 + 4 e 285 108 etot -8.6181E+01 mv 6 82 37 175 0 + 4 e 498 87 etot -7.4712E+01 mv 6 82 157 21 0 + 4 e 374 98 etot -7.1481E+01 mv 6 82 147 66 0 + 4 e 292 107 etot -8.8097E+01 mv 6 82 37 124 0 + -1 e 1 133 etot 1.3528E+20 mv 6 82 46 184 0 + 4 e 323 106 etot -8.0331E+01 mv 6 82 37 104 0 + 4 e 243 112 etot -7.3906E+01 mv 6 82 184 164 0 + 4 e 146 119 etot -8.3776E+01 mv 6 82 184 199 0 + 4 e 127 120 etot -7.7494E+01 mv 6 82 184 90 0 + -1 e 1 139 etot 1.3528E+20 mv 6 82 46 116 0 + 4 e 387 86 etot -7.4303E+01 mv 6 82 157 178 0 + 4 e 268 105 etot -7.5356E+01 mv 6 82 37 156 0 + 4 e 433 97 etot -8.3421E+01 mv 6 82 147 121 0 + 4 e 363 110 etot -8.2474E+01 mv 6 82 37 103 0 + 4 e 561 80 etot -8.6133E+01 mv 6 82 192 50 0 + 4 e 349 111 etot -8.3002E+01 mv 6 82 184 186 0 + -1 e 1 146 etot 1.3528E+20 mv 6 82 23 71 0 + 4 e 278 116 etot -8.6496E+01 mv 6 82 184 182 0 + 4 e 477 102 etot -7.9324E+01 mv 6 82 37 141 0 + 4 e 383 89 etot -7.4875E+01 mv 6 82 157 113 0 + 4 e 281 121 etot -8.3106E+01 mv 6 82 48 69 0 + 4 e 147 130 etot -8.6689E+01 mv 6 82 48 46 0 + 4 e 280 127 etot -8.5070E+01 mv 6 82 48 82 0 + 4 e 314 124 etot -7.4582E+01 mv 6 82 48 82 0 + 4 e 204 140 etot -8.7771E+01 mv 6 82 46 38 0 + 4 e 309 128 etot -8.4203E+01 mv 6 82 48 112 0 + -1 e 1 156 etot 1.3528E+20 mv 6 82 162 186 0 + 4 e 260 138 etot -7.3187E+01 mv 6 82 46 22 0 + 4 e 773 55 etot -8.4032E+01 mv 6 82 92 138 0 + 4 e 297 132 etot -8.6688E+01 mv 6 82 46 1 0 + 4 e 301 134 etot -7.7161E+01 mv 6 82 46 23 0 + 4 e 584 79 etot -8.2635E+01 mv 6 82 192 110 0 + 4 e 493 117 etot -7.4073E+01 mv 6 82 184 21 0 + 4 e 526 114 etot -8.6824E+01 mv 6 82 184 126 0 c 184 7.5 0.0 + 4 e 560 113 etot -7.7125E+01 mv 6 82 184 84 0 + 4 e 426 123 etot -8.4361E+01 mv 6 82 48 149 0 + 4 e 227 149 etot -8.6660E+01 mv 6 82 23 190 0 + 4 e 381 131 etot -8.1581E+01 mv 6 82 46 159 0 + 4 e 297 147 etot -8.6660E+01 mv 6 82 23 159 0 + 4 e 310 144 etot -7.3169E+01 mv 6 82 23 140 0 + 4 e 513 103 etot -7.8273E+01 mv 6 82 37 188 0 + 4 e 389 135 etot -7.8611E+01 mv 6 82 46 38 0 + 4 e 164 154 etot -7.0318E+01 mv 6 82 162 83 0 + 4 e 237 141 etot -8.6660E+01 mv 6 82 23 111 0 + 4 e 241 142 etot -8.5695E+01 mv 6 82 23 165 0 c 141 97.6 1.0 + 4 e 437 136 etot -8.3480E+01 mv 6 82 46 42 0 + 4 e 163 152 etot -7.0455E+01 mv 6 82 162 128 0 + 4 e 429 137 etot -7.3443E+01 mv 6 82 46 69 0 + -1 e 1 178 etot 1.3528E+20 mv 6 82 134 13 0 + 4 e 331 129 etot -8.8124E+01 mv 6 82 48 164 0 + 4 e 659 118 etot -9.0192E+01 mv 6 82 184 34 0 c 184 249.0 3.4 + 4 e 438 145 etot -7.8331E+01 mv 6 82 23 76 0 + 4 e 256 157 etot -7.8883E+01 mv 6 82 162 121 0 + 4 e 189 166 etot -8.6624E+01 mv 6 82 75 46 0 + 4 e 444 148 etot -8.2915E+01 mv 6 82 23 19 0 + 4 e 228 163 etot -8.6623E+01 mv 6 82 75 146 0 + 4 e 321 155 etot -8.6124E+01 mv 6 82 162 178 0 + 4 e 385 151 etot -8.7119E+01 mv 6 82 162 118 0 + 4 e 418 153 etot -8.3104E+01 mv 6 82 162 178 0 + 4 e 263 172 etot -8.0614E+01 mv 6 82 134 44 0 + 4 e 241 162 etot -8.6623E+01 mv 6 82 75 152 0 + -1 e 1 191 etot 1.3528E+20 mv 6 82 167 75 0 + 4 e 321 165 etot -8.6623E+01 mv 6 82 75 189 0 + 4 e 263 176 etot -8.0006E+01 mv 6 82 134 198 0 + 4 e 404 160 etot -7.7881E+01 mv 6 82 162 134 0 + 4 e 191 183 etot -8.6378E+01 mv 6 82 82 30 0 + 4 e 189 177 etot -7.9622E+01 mv 6 82 134 97 0 + 4 e 355 170 etot -7.6676E+01 mv 6 82 75 117 0 + 4 e 671 143 etot -8.3738E+01 mv 6 82 23 151 0 + 4 e 241 174 etot -7.9687E+01 mv 6 82 134 97 0 + 4 e 452 164 etot -8.1044E+01 mv 6 82 75 127 0 + 4 e 499 158 etot -8.5063E+01 mv 6 82 162 175 0 c 154 129.8 0.9 + 4 e 418 168 etot -8.3981E+01 mv 6 82 75 22 0 + -1 e 1 203 etot 1.3528E+20 mv 2 82 12 -91 0 + 4 e 420 173 etot -8.1730E+01 mv 6 82 134 65 0 + 4 e 210 188 etot -8.3428E+01 mv 6 82 82 149 0 + 4 e 108 195 etot -8.7211E+01 mv 6 82 167 97 0 c 97 1.2 0.0 + 4 e 481 167 etot -7.9690E+01 mv 6 82 75 143 0 + 4 e 534 161 etot -7.7322E+01 mv 6 82 75 70 0 + 4 e 293 186 etot -7.9297E+01 mv 6 82 82 31 0 + 4 e 466 169 etot -8.0317E+01 mv 6 82 75 79 0 + 4 e 325 171 etot -8.4939E+01 mv 6 82 134 95 0 + 4 e 382 181 etot -8.1983E+01 mv 6 82 82 29 0 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162 174 0 + 4 e 128 231 etot -8.7212E+01 mv 2 82 81 106 0 + 4 e 321 218 etot -8.5927E+01 mv 2 82 88 -110 0 + 4 e 218 230 etot -6.7267E+01 mv 2 82 92 -22 0 + 4 e 219 236 etot -8.5993E+01 mv 2 82 192 -121 0 + 4 e 278 228 etot -7.2590E+01 mv 2 82 92 2 0 + -1 e 1 260 etot 1.3528E+20 mv 2 82 184 -74 0 + 4 e 617 199 etot -8.5611E+01 mv 6 82 167 135 0 + 4 e 214 226 etot -8.7443E+01 mv 2 82 92 191 0 + 4 e 596 204 etot -6.9711E+01 mv 2 82 12 -111 0 + 4 e 312 233 etot -8.7210E+01 mv 2 82 81 -178 0 + 4 e 287 240 etot -8.7065E+01 mv 2 82 192 180 0 + 4 e 254 243 etot -8.6797E+01 mv 2 82 157 148 0 + 4 e 254 246 etot -6.8463E+01 mv 2 82 147 -69 0 + 4 e 301 217 etot -7.3349E+01 mv 2 82 88 -94 0 + 4 e 215 250 etot -8.6713E+01 mv 2 82 147 66 0 + 4 e 420 224 etot -7.0508E+01 mv 2 82 163 -65 0 + 4 e 469 222 etot -8.7334E+01 mv 2 82 163 115 0 + 4 e 357 239 etot -8.1244E+01 mv 2 82 192 -102 0 + 4 e 280 247 etot -8.7252E+01 mv 2 82 147 -60 0 + 4 e 274 234 etot -7.6009E+01 mv 2 82 81 -127 0 + 8 e 22 269 etot -6.3997E+01 mv 2 82 46 -170 0 + 4 e 435 225 etot -8.2033E+01 mv 2 82 163 -66 0 + 4 e 327 245 etot -8.6795E+01 mv 2 82 157 -188 0 + 4 e 266 241 etot -8.6797E+01 mv 2 82 157 -18 0 + 4 e 427 237 etot -7.6277E+01 mv 2 82 192 -122 0 + 4 e 338 249 etot -8.0282E+01 mv 2 82 147 143 0 + 4 e 143 270 etot -8.6689E+01 mv 2 82 46 199 0 + 4 e 185 267 etot -8.6386E+01 mv 2 82 46 60 0 + 4 e 472 242 etot -8.5684E+01 mv 2 82 157 17 0 c 17 149.8 1.0 + 4 e 217 265 etot -8.7700E+01 mv 2 82 48 -57 0 + 4 e 202 266 etot -8.6688E+01 mv 2 82 46 -50 0 + 4 e 304 262 etot -7.0338E+01 mv 2 82 48 -24 0 + 4 e 133 275 etot -7.2562E+01 mv 2 82 23 102 0 + 4 e 474 252 etot -7.1121E+01 mv 2 82 37 -34 0 + 4 e 236 268 etot -8.6334E+01 mv 2 82 46 36 0 + -1 e 1 290 etot 1.3528E+20 mv 2 82 134 -61 0 + 4 e 318 253 etot -8.4946E+01 mv 2 82 37 -163 0 + 4 e 403 259 etot -7.4763E+01 mv 2 82 184 -57 0 + 4 e 559 212 etot -8.9443E+01 mv 2 82 40 -184 0 + 4 e 302 256 etot -8.4088E+01 mv 2 82 184 -139 0 + -1 e 1 295 etot 1.3528E+20 mv 2 82 82 -90 0 + 4 e 194 280 etot -8.7120E+01 mv 2 82 162 44 0 + 4 e 344 255 etot -7.2373E+01 mv 2 82 37 117 0 + -1 e 1 298 etot 1.3528E+20 mv 2 82 167 189 0 + 4 e 478 257 etot -8.6824E+01 mv 2 82 184 183 0 c 22 171.7 0.4 + 4 e 146 283 etot -8.6624E+01 mv 2 82 75 106 0 + 4 e 463 261 etot -7.9802E+01 mv 2 82 48 17 0 + 4 e 231 281 etot -7.3183E+01 mv 2 82 75 35 0 + 4 e 327 273 etot -8.6659E+01 mv 2 82 23 -152 0 + 4 e 103 293 etot -8.6378E+01 mv 2 82 82 19 0 c 82 0.7 0.0 + -1 e 1 305 etot 1.3528E+20 mv 1 82 12 -117 0 + 4 e 365 271 etot -8.5396E+01 mv 2 82 23 141 0 + 4 e 664 244 etot -8.2300E+01 mv 2 82 157 -4 0 + 4 e 435 264 etot -8.1962E+01 mv 2 82 48 -186 0 + 4 e 255 282 etot -8.1487E+01 mv 2 82 75 -38 0 + 4 e 246 284 etot -8.0835E+01 mv 2 82 75 33 0 + 4 e 620 258 etot -7.6725E+01 mv 2 82 184 -178 0 + 4 e 171 292 etot -7.6436E+01 mv 2 82 82 -191 0 + 4 e 723 254 etot -7.5372E+01 mv 2 82 37 -161 0 + 4 e 468 274 etot -8.1148E+01 mv 2 82 23 -195 0 + 4 e 307 289 etot -8.6411E+01 mv 2 82 134 168 0 + 4 e 305 279 etot -7.6324E+01 mv 2 82 162 176 0 + 4 e 149 308 etot -9.0761E+01 mv 1 82 24 150 0 + 4 e 520 272 etot -6.7780E+01 mv 2 82 23 -67 0 + 4 e 437 263 etot -8.7819E+01 mv 2 82 48 68 0 + 4 e 236 301 etot -6.7389E+01 mv 1 82 12 -168 0 + 4 e 256 300 etot -8.8147E+01 mv 2 82 167 41 0 + 4 e 536 278 etot -5.9707E+01 mv 2 82 162 -64 0 + 4 e 577 277 etot -8.6691E+01 mv 2 82 162 -164 0 + -1 e 1 324 etot 1.3528E+20 mv 1 82 163 149 0 + 4 e 279 306 etot -8.8917E+01 mv 1 82 24 -132 0 + 4 e 488 285 etot -8.2685E+01 mv 2 82 75 -34 0 + 4 e 486 286 etot -7.8726E+01 mv 2 82 134 -197 0 + -1 e 1 328 etot 1.3528E+20 mv 1 82 92 114 0 + 4 e 471 287 etot -7.8395E+01 mv 2 82 134 192 0 + 4 e 396 297 etot -8.4043E+01 mv 2 82 167 180 0 + 4 e 329 303 etot -7.3103E+01 mv 1 82 12 181 0 + 4 e 461 276 etot -7.4554E+01 mv 2 82 162 30 0 + 4 e 334 288 etot -7.7749E+01 mv 2 82 134 185 0 + 4 e 209 314 etot -6.8007E+01 mv 1 82 40 20 0 + 4 e 308 310 etot -9.0760E+01 mv 1 82 24 143 0 + 4 e 128 317 etot -7.1497E+01 mv 1 82 88 130 0 + 4 e 496 291 etot -8.4366E+01 mv 2 82 82 -177 0 + 4 e 383 307 etot -7.5837E+01 mv 1 82 24 -130 0 + 4 e 327 299 etot -7.2475E+01 mv 2 82 167 -42 0 + 4 e 270 315 etot -8.8749E+01 mv 1 82 40 -43 0 + 4 e 430 304 etot -8.4570E+01 mv 1 82 12 130 0 + 4 e 371 311 etot -9.0334E+01 mv 1 82 40 4 0 + 4 e 377 312 etot -7.8288E+01 mv 1 82 40 158 0 + 4 e 274 319 etot -8.8050E+01 mv 1 82 88 101 0 + -1 e 1 344 etot 1.3528E+20 mv 1 82 157 88 0 + 4 e 232 313 etot -6.9158E+01 mv 1 82 40 93 0 + 4 e 261 321 etot -8.7792E+01 mv 1 82 163 -128 0 + 4 e 169 331 etot -8.7211E+01 mv 1 82 81 149 0 + 4 e 211 326 etot -8.7443E+01 mv 1 82 92 -145 0 + 4 e 226 320 etot -8.8050E+01 mv 1 82 88 -7 0 + 4 e 210 332 etot -7.4496E+01 mv 1 82 81 141 0 + 4 e 515 309 etot -8.8762E+01 mv 1 82 24 65 0 + 4 e 159 333 etot -8.7211E+01 mv 1 82 81 -59 0 + 4 e 289 330 etot -8.7443E+01 mv 1 82 92 -195 0 + 4 e 373 323 etot -6.5814E+01 mv 1 82 163 -190 0 + 4 e 271 338 etot -8.7065E+01 mv 1 82 192 170 0 + 4 e 660 302 etot -8.4822E+01 mv 1 82 12 -87 0 + 4 e 297 335 etot -8.6511E+01 mv 1 82 81 131 0 + 4 e 297 336 etot -8.5722E+01 mv 1 82 192 -176 0 + 4 e 488 316 etot -8.0839E+01 mv 1 82 88 -85 0 + 4 e 529 294 etot -8.2655E+01 mv 2 82 82 28 0 + 4 e 469 322 etot -8.2033E+01 mv 1 82 163 -130 0 + 4 e 536 296 etot -8.8676E+01 mv 2 82 167 159 0 + 4 e 233 334 etot -8.7211E+01 mv 1 82 81 18 0 + 4 e 525 318 etot -8.8049E+01 mv 1 82 88 -138 0 + 4 e 278 343 etot -8.2596E+01 mv 1 82 157 -94 0 + 4 e 329 339 etot -8.0645E+01 mv 1 82 192 43 0 + 4 e 470 325 etot -8.7791E+01 mv 1 82 163 -193 0 + 4 e 259 337 etot -8.2459E+01 mv 1 82 192 159 0 + 4 e 262 350 etot -8.3157E+01 mv 1 82 147 -66 0 + 4 e 218 353 etot -8.6698E+01 mv 1 82 37 -160 0 + 4 e 315 346 etot -6.9192E+01 mv 1 82 147 -54 0 + 4 e 488 329 etot -6.7609E+01 mv 1 82 92 -55 0 + 4 e 256 352 etot -7.4953E+01 mv 1 82 37 -67 0 + 4 e 500 327 etot -7.2286E+01 mv 1 82 92 35 0 + 4 e 288 340 etot -8.6653E+01 mv 1 82 192 -61 0 + 4 e 128 366 etot -8.6689E+01 mv 1 82 46 90 0 + 4 e 368 348 etot -7.6767E+01 mv 1 82 147 181 0 + 4 e 392 345 etot -8.6796E+01 mv 1 82 157 -71 0 + 4 e 358 349 etot -8.6713E+01 mv 1 82 147 123 0 + 4 e 250 356 etot -8.4562E+01 mv 1 82 184 -126 0 + 4 e 282 347 etot -8.6709E+01 mv 1 82 147 91 0 + 4 e 163 368 etot -8.6689E+01 mv 1 82 46 -144 0 + 4 e 226 363 etot -8.7699E+01 mv 1 82 48 132 0 + -1 e 1 385 etot 1.3528E+20 mv 1 82 75 117 0 + 4 e 188 367 etot -8.6443E+01 mv 1 82 46 138 0 + 4 e 161 365 etot -8.7700E+01 mv 1 82 48 -32 0 + 4 e 332 355 etot -8.6697E+01 mv 1 82 37 -79 0 + 4 e 295 361 etot -8.7699E+01 mv 1 82 48 23 0 + 4 e 225 369 etot -7.6490E+01 mv 1 82 46 163 0 + 4 e 332 358 etot -8.6443E+01 mv 1 82 184 -78 0 + 4 e 556 341 etot -8.6795E+01 mv 1 82 157 -15 0 + 4 e 571 342 etot -7.4225E+01 mv 1 82 157 -177 0 + 4 e 202 374 etot -8.6660E+01 mv 1 82 23 189 0 + 4 e 178 370 etot -8.6387E+01 mv 1 82 46 17 0 + 4 e 261 372 etot -8.5186E+01 mv 1 82 23 113 0 + 4 e 381 360 etot -8.6823E+01 mv 1 82 184 156 0 + 4 e 266 364 etot -6.3299E+01 mv 1 82 48 -40 0 + 4 e 215 381 etot -8.6623E+01 mv 1 82 75 -111 0 + 4 e 239 380 etot -8.7120E+01 mv 1 82 162 44 0 + 4 e 399 351 etot -8.6697E+01 mv 1 82 37 -95 0 + 4 e 10 401 etot -8.4951E+01 mv 0 82 12 0 0 c 12 0.0 0.0 + 4 e 2 402 etot -9.0761E+01 mv 0 82 24 0 0 + 4 e 15 403 etot -9.0337E+01 mv 0 82 40 0 0 c 40 0.0 0.0 + 4 e 11 404 etot -8.8050E+01 mv 0 82 88 0 0 c 88 0.0 0.0 + 4 e 307 362 etot -7.0771E+01 mv 1 82 48 -114 0 + 4 e 256 382 etot -8.5741E+01 mv 1 82 75 20 0 + 4 e 219 386 etot -8.6412E+01 mv 1 82 134 -117 0 + 4 e 2 407 etot -8.7212E+01 mv 0 82 81 0 0 + 4 e 364 371 etot -8.3846E+01 mv 1 82 23 -151 0 + 4 e 173 390 etot -8.6412E+01 mv 1 82 134 141 0 + 4 e 9 408 etot -8.7065E+01 mv 0 82 192 0 0 c 192 0.0 0.0 + 4 e 11 409 etot -8.6798E+01 mv 0 82 157 0 0 c 157 0.0 0.0 + 4 e 183 391 etot -8.6378E+01 mv 1 82 82 -98 0 + 4 e 25 413 etot -8.7700E+01 mv 0 82 48 0 0 c 48 0.0 0.0 + 4 e 187 392 etot -8.6378E+01 mv 1 82 82 64 0 + 4 e 527 359 etot -8.3734E+01 mv 1 82 184 -103 0 + 4 e 12 415 etot -8.6660E+01 mv 0 82 23 0 0 c 23 0.0 0.0 + 4 e 170 395 etot -8.6378E+01 mv 1 82 82 -61 0 +## N0 total= 15 close= 11 far= 0 %acc 73.3 +## N1 total= 105 close= 0 far= 0 %acc 0.0 +## N2 total= 100 close= 3 far= 0 %acc 3.0 +## N3 total= 0 close= 0 far= 0 %acc 0.0 +## N4 total= 0 close= 0 far= 0 %acc 0.0 +## N5 total= 0 close= 0 far= 0 %acc 0.0 +## N6 total= 200 close= 5 far= 1 %acc 3.0 +## N7 total= 0 close= 0 far= 0 %acc 0.0 +## N8 total= 0 close= 0 far= 0 %acc 0.0 +## N9 total= 0 close= 0 far= 0 %acc 0.0 +##N10 total= 0 close= 0 far= 0 %acc 0.0 +##N11 total= 0 close= 0 far= 0 %acc 0.0 +##N12 total= 0 close= 0 far= 0 %acc 0.0 +##N13 total= 0 close= 0 far= 0 %acc 0.0 +##N14 total= 0 close= 0 far= 0 %acc 0.0 +##N15 total= 0 close= 0 far= 0 %acc 0.0 +##N16 total= 0 close= 0 far= 0 %acc 0.0 +##N17 total= 0 close= 0 far= 0 %acc 0.0 +##N18 total= 0 close= 0 far= 0 %acc 0.0 + Time for refresh 83 0.26 + make_var : nseed= 20 ntry= 420 + Time for make trial 84 0.06 +Nonsetup time 162.96 sec, Eval/s = 64802.32 +Time for iter 84 1.70 sec, Eval/s = 69304.37 + UPDATING 420 + 4 e 89 420 etot -8.8147E+01 mv 0 82 167 0 0 c 167 0.4 0.0 + 4 e 82 411 etot -8.6698E+01 mv 0 82 37 0 0 c 37 0.2 0.0 + 4 e 76 418 etot -8.6412E+01 mv 0 82 134 0 0 c 134 0.5 0.0 + 4 e 460 376 etot -8.7119E+01 mv 1 82 162 119 0 + 4 e 586 357 etot -8.2961E+01 mv 1 82 184 -41 0 + 4 e 262 389 etot -8.2273E+01 mv 1 82 134 -197 0 + 4 e 377 378 etot -8.2116E+01 mv 1 82 162 185 0 + 4 e 312 398 etot -8.8147E+01 mv 1 82 167 123 0 + 4 e 48 414 etot -8.6689E+01 mv 0 82 46 0 0 c 46 0.1 0.0 + 4 e 386 394 etot -8.3846E+01 mv 1 82 82 -17 0 + 4 e 486 400 etot -8.4827E+01 mv 1 82 167 85 0 + 4 e 497 387 etot -7.2577E+01 mv 1 82 134 -50 0 + 4 e 37 419 etot -8.6378E+01 mv 0 82 82 0 0 c 82 0.6 0.0 + 4 e 74 405 etot -8.7793E+01 mv 0 82 163 0 0 c 163 0.3 0.0 + 4 e 416 375 etot -8.5268E+01 mv 1 82 23 115 0 + -1 e 1 7 etot 1.3528E+20 mv 6 83 152 196 0 + 4 e 408 384 etot -8.4332E+01 mv 1 82 75 11 0 + 4 e 68 416 etot -8.7120E+01 mv 0 82 162 0 0 c 162 0.3 0.0 + 4 e 413 373 etot -8.4968E+01 mv 1 82 23 -195 0 + 4 e 52 417 etot -8.6624E+01 mv 0 82 75 0 0 c 75 0.2 0.0 + 4 e 171 412 etot -8.6826E+01 mv 0 82 184 0 0 c 22 2.5 0.0 + 4 e 374 379 etot -8.6585E+01 mv 1 82 162 149 0 + 4 e 538 397 etot -8.8102E+01 mv 1 82 167 -119 0 + 4 e 279 393 etot -7.5445E+01 mv 1 82 82 -28 0 + 4 e 81 410 etot -8.6714E+01 mv 0 82 147 0 0 c 147 0.2 0.0 + 4 e 424 354 etot -8.6696E+01 mv 1 82 37 167 0 + 4 e 438 377 etot -7.5959E+01 mv 1 82 162 -1 0 + 4 e 291 399 etot -8.5768E+01 mv 1 82 167 26 0 + 4 e 238 396 etot -8.8147E+01 mv 1 82 167 86 0 + 4 e 91 406 etot -8.7444E+01 mv 0 82 92 0 0 c 92 0.3 0.0 + 4 e 339 383 etot -7.7324E+01 mv 1 82 75 6 0 + 4 e 256 388 etot -8.5796E+01 mv 1 82 134 183 0 + 8 e 23 23 etot -6.3988E+01 mv 6 83 103 117 0 + 4 e 182 10 etot -6.9294E+01 mv 6 83 152 138 0 + 4 e 179 11 etot -8.6163E+01 mv 6 83 184 119 0 + -1 e 1 35 etot 1.3528E+20 mv 6 83 185 186 0 + -1 e 1 36 etot 1.3528E+20 mv 6 83 185 113 0 + 4 e 200 9 etot 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195 0 + 4 e 332 351 etot -8.6334E+01 mv 1 83 105 109 0 + -1 e 1 389 etot 1.3066E+26 mv 1 83 99 -62 0 + 4 e 222 355 etot -8.6335E+01 mv 1 83 105 74 0 + 4 e 248 364 etot -8.6326E+01 mv 1 83 197 145 0 + 4 e 462 345 etot -8.7599E+01 mv 1 83 189 -71 0 + 4 e 469 320 etot -8.6903E+01 mv 1 83 185 -142 0 + 4 e 156 378 etot -8.6196E+01 mv 1 83 13 -143 0 + 4 e 255 371 etot -8.6236E+01 mv 1 83 35 93 0 + 4 e 457 349 etot -6.8348E+01 mv 1 83 195 -186 0 + 4 e 352 360 etot -8.6354E+01 mv 1 83 20 -111 0 + -1 e 1 398 etot 1.3528E+20 mv 1 83 150 -109 0 + 4 e 156 356 etot -8.6354E+01 mv 1 83 20 30 0 + 4 e 205 379 etot -6.9644E+01 mv 1 83 13 66 0 + 4 e 190 380 etot -8.6196E+01 mv 1 83 13 -65 0 + 4 e 364 365 etot -7.0033E+01 mv 1 83 197 -145 0 + 4 e 270 373 etot -8.6236E+01 mv 1 83 35 185 0 + 4 e 177 385 etot -8.6115E+01 mv 1 83 108 144 0 + 4 e 162 388 etot -8.6081E+01 mv 1 83 99 -109 0 + 4 e 2 406 etot -8.7008E+01 mv 0 83 90 0 0 + 4 e 21 403 etot -8.8110E+01 mv 0 83 103 0 0 c 103 0.0 0.0 + 4 e 13 404 etot -8.7060E+01 mv 0 83 185 0 0 c 185 0.0 0.0 + 4 e 196 386 etot -8.6081E+01 mv 1 83 99 5 0 + 4 e 308 372 etot -8.6236E+01 mv 1 83 35 15 0 + 4 e 19 407 etot -8.6727E+01 mv 0 83 2 0 0 c 2 0.0 0.0 + 4 e 183 390 etot -8.4646E+01 mv 1 83 99 8 0 + 4 e 36 405 etot -8.7040E+01 mv 0 83 135 0 0 c 135 0.1 0.0 + 4 e 26 410 etot -8.6379E+01 mv 0 83 195 0 0 c 195 0.0 0.0 + 4 e 68 401 etot -8.9995E+01 mv 0 83 152 0 0 c 152 0.2 0.0 + 4 e 13 413 etot -8.6327E+01 mv 0 83 197 0 0 + 4 e 12 414 etot -8.6293E+01 mv 0 83 107 0 0 + 4 e 41 408 etot -8.6692E+01 mv 0 83 140 0 0 c 140 0.1 0.0 + 4 e 14 415 etot -8.6236E+01 mv 0 83 35 0 0 c 35 0.0 0.0 +## N0 total= 22 close= 19 far= 0 %acc 86.4 +## N1 total= 98 close= 0 far= 0 %acc 0.0 +## N2 total= 100 close= 1 far= 0 %acc 1.0 +## N3 total= 0 close= 0 far= 0 %acc 0.0 +## N4 total= 0 close= 0 far= 0 %acc 0.0 +## N5 total= 0 close= 0 far= 0 %acc 0.0 +## N6 total= 200 close= 13 far= 0 %acc 6.5 +## N7 total= 0 close= 0 far= 0 %acc 0.0 +## N8 total= 0 close= 0 far= 0 %acc 0.0 +## N9 total= 0 close= 0 far= 0 %acc 0.0 +##N10 total= 0 close= 0 far= 0 %acc 0.0 +##N11 total= 0 close= 0 far= 0 %acc 0.0 +##N12 total= 0 close= 0 far= 0 %acc 0.0 +##N13 total= 0 close= 0 far= 0 %acc 0.0 +##N14 total= 0 close= 0 far= 0 %acc 0.0 +##N15 total= 0 close= 0 far= 0 %acc 0.0 +##N16 total= 0 close= 0 far= 0 %acc 0.0 +##N17 total= 0 close= 0 far= 0 %acc 0.0 +##N18 total= 0 close= 0 far= 0 %acc 0.0 + Time for refresh 84 0.27 + make_var : nseed= 20 ntry= 420 + Time for make trial 85 0.08 +Nonsetup time 164.77 sec, Eval/s = 64853.70 +Time for iter 85 1.80 sec, Eval/s = 69493.47 + UPDATING 420 + 4 e 15 417 etot -8.6115E+01 mv 0 83 108 0 0 + 4 e 342 397 etot -8.5731E+01 mv 1 83 150 131 0 + 4 e 466 377 etot -7.7560E+01 mv 1 83 13 194 0 + 4 e 110 411 etot -8.6335E+01 mv 0 83 105 0 0 c 105 0.2 0.0 + 4 e 639 367 etot -8.5176E+01 mv 1 83 107 -149 0 + 4 e 129 402 etot -9.0194E+01 mv 0 83 184 0 0 c 184 0.8 0.0 + 4 e 595 366 etot -7.0633E+01 mv 1 83 107 -31 0 + 4 e 427 374 etot 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10 etot -6.8625E+01 mv 6 84 122 23 0 + 4 e 279 42 etot -8.7523E+01 mv 6 84 197 64 0 c 197 3.3 0.0 + 4 e 523 13 etot -8.5173E+01 mv 6 84 107 120 0 + 4 e 525 12 etot -8.6389E+01 mv 6 84 107 194 0 + 4 e 568 16 etot -8.1029E+01 mv 6 84 107 59 0 + -1 e 1 72 etot 1.3528E+20 mv 6 84 41 138 0 + 4 e 496 30 etot -8.2532E+01 mv 6 84 200 141 0 + 4 e 336 41 etot -8.7523E+01 mv 6 84 197 51 0 c 197 3.2 0.0 + 4 e 293 44 etot -7.6632E+01 mv 6 84 197 133 0 + -1 e 1 77 etot 1.3528E+20 mv 6 84 41 58 0 + 4 e 546 18 etot -8.1678E+01 mv 6 84 107 6 0 + 4 e 569 35 etot -8.8048E+01 mv 6 84 189 45 0 + 4 e 284 58 etot -7.5390E+01 mv 6 84 59 156 0 + 4 e 342 56 etot -7.6377E+01 mv 6 84 59 1 0 + 4 e 584 8 etot -8.9525E+01 mv 6 84 122 60 0 + -1 e 1 82 etot 1.3528E+20 mv 6 84 108 53 0 + 4 e 251 50 etot -6.8845E+01 mv 6 84 197 5 0 + -1 e 1 85 etot 1.3528E+20 mv 6 84 108 17 0 + 4 e 581 20 etot -8.9283E+01 mv 6 84 107 51 0 c 107 5.2 0.0 + 4 e 413 38 etot -8.0451E+01 mv 6 84 189 10 0 + 4 e 243 66 etot -8.7419E+01 mv 6 84 25 162 0 + 4 e 193 69 etot -8.6636E+01 mv 6 84 25 123 0 + 4 e 310 59 etot -8.7970E+01 mv 6 84 59 26 0 + 4 e 437 54 etot -8.7891E+01 mv 6 84 59 73 0 + 4 e 162 73 etot -8.4820E+01 mv 6 84 41 143 0 + 4 e 35 91 etot -8.5643E+01 mv 6 84 128 42 0 c 42 0.1 0.0 + 4 e 350 62 etot -8.7418E+01 mv 6 84 25 17 0 + 4 e 370 57 etot -8.7970E+01 mv 6 84 59 4 0 + 4 e 374 51 etot -8.2746E+01 mv 6 84 59 192 0 + 4 e 167 79 etot -8.7538E+01 mv 6 84 41 135 0 + 4 e 198 86 etot -7.3661E+01 mv 6 84 108 91 0 + 4 e 522 40 etot -8.6083E+01 mv 6 84 189 52 0 + 4 e 233 70 etot -8.6293E+01 mv 6 84 25 197 0 + 4 e 382 67 etot -8.1494E+01 mv 6 84 25 47 0 + -1 e 1 102 etot 1.3528E+20 mv 6 84 85 16 0 + 4 e 398 48 etot -8.4828E+01 mv 6 84 197 110 0 + 4 e 223 84 etot -8.3242E+01 mv 6 84 108 113 0 + 4 e 528 60 etot -8.0446E+01 mv 6 84 59 191 0 + 4 e 149 93 etot -8.7131E+01 mv 6 84 128 125 0 + 4 e 2 107 etot -9.0761E+01 mv 6 84 85 24 0 + 4 e 448 63 etot -8.6643E+01 mv 6 84 25 97 0 + 4 e 273 83 etot -8.5542E+01 mv 6 84 108 182 0 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231 etot -7.3274E+01 mv 2 84 25 47 0 + 4 e 510 214 etot -8.1094E+01 mv 2 84 200 -61 0 + 4 e 195 238 etot -8.7381E+01 mv 2 84 41 120 0 + 4 e 189 239 etot -8.6975E+01 mv 2 84 41 100 0 + 4 e 312 221 etot -8.7523E+01 mv 2 84 197 -69 0 + 4 e 564 211 etot -8.8059E+01 mv 2 84 200 -137 0 + 4 e 464 222 etot -7.8209E+01 mv 2 84 197 -108 0 + 4 e 575 216 etot -8.7818E+01 mv 2 84 189 -157 0 + 4 e 339 235 etot -8.7638E+01 mv 2 84 25 88 0 c 25 67.5 0.2 + 4 e 589 195 etot -7.7950E+01 mv 6 84 44 198 0 + 4 e 264 241 etot -7.5148E+01 mv 2 84 108 -100 0 + -1 e 1 267 etot 1.3528E+20 mv 2 84 112 127 0 + 4 e 172 250 etot -7.9248E+01 mv 2 84 128 63 0 + 4 e 362 234 etot -7.2452E+01 mv 2 84 25 -53 0 + 4 e 414 228 etot -8.0734E+01 mv 2 84 59 26 0 + 4 e 184 252 etot -8.5924E+01 mv 2 84 85 5 0 + 4 e 464 227 etot -8.9863E+01 mv 2 84 59 192 0 + 4 e 219 251 etot -8.5924E+01 mv 2 84 85 119 0 + 4 e 355 240 etot -8.7380E+01 mv 2 84 41 158 0 + 4 e 209 258 etot -7.5732E+01 mv 2 84 5 106 0 + 4 e 557 206 etot -8.9283E+01 mv 2 84 107 -122 0 + 4 e 284 249 etot -7.3471E+01 mv 2 84 128 35 0 + 4 e 243 260 etot -7.2052E+01 mv 2 84 5 -75 0 + 4 e 362 229 etot -7.4022E+01 mv 2 84 59 49 0 + 4 e 308 259 etot -7.7807E+01 mv 2 84 5 45 0 + 4 e 257 263 etot -8.5839E+01 mv 2 84 132 -128 0 + 4 e 193 272 etot -8.5054E+01 mv 2 84 4 141 0 + 4 e 393 256 etot -8.5899E+01 mv 2 84 5 -17 0 + 4 e 739 224 etot -7.7874E+01 mv 2 84 197 112 0 + 4 e 456 245 etot -7.8678E+01 mv 2 84 108 -128 0 + -1 e 1 283 etot 1.3528E+20 mv 2 84 17 145 0 + 4 e 230 271 etot -8.6242E+01 mv 2 84 4 21 0 + 4 e 206 273 etot -8.6504E+01 mv 2 84 4 13 0 + -1 e 1 289 etot 1.3528E+20 mv 2 84 42 -47 0 + 4 e 251 268 etot -8.5718E+01 mv 2 84 112 137 0 + 4 e 503 244 etot -7.0480E+01 mv 2 84 108 -120 0 + 4 e 519 242 etot -7.2818E+01 mv 2 84 108 -32 0 + 4 e 317 248 etot -8.6118E+01 mv 2 84 128 36 0 + 4 e 337 264 etot -7.5268E+01 mv 2 84 132 170 0 + 4 e 307 269 etot -6.4408E+01 mv 2 84 112 -74 0 + -1 e 1 296 etot 1.3528E+20 mv 2 84 44 -93 0 + -1 e 1 297 etot 1.3528E+20 mv 2 84 44 -158 0 + 4 e 510 247 etot -7.3161E+01 mv 2 84 128 -138 0 + 4 e 215 279 etot -8.6085E+01 mv 2 84 52 107 0 + 4 e 279 275 etot -8.6504E+01 mv 2 84 4 171 0 + 4 e 110 288 etot -8.5643E+01 mv 2 84 42 -120 0 + 4 e 247 266 etot -8.5719E+01 mv 2 84 112 52 0 + 4 e 426 262 etot -7.4292E+01 mv 2 84 132 -116 0 + 4 e 555 255 etot -8.2302E+01 mv 2 84 85 -169 0 + 4 e 343 276 etot -6.6826E+01 mv 2 84 52 107 0 + 4 e 314 278 etot -8.6085E+01 mv 2 84 52 -28 0 + 4 e 241 281 etot -8.5686E+01 mv 2 84 17 -111 0 + 4 e 213 287 etot -8.5643E+01 mv 2 84 42 144 0 + 4 e 437 270 etot -8.5715E+01 mv 2 84 112 -80 0 + 4 e 178 293 etot -7.2247E+01 mv 2 84 80 126 0 + 4 e 467 246 etot -7.5942E+01 mv 2 84 128 -193 0 + 4 e 513 265 etot -7.3873E+01 mv 2 84 132 117 0 + 4 e 227 292 etot -8.5610E+01 mv 2 84 80 155 0 + 4 e 256 284 etot -7.8633E+01 mv 2 84 17 43 0 + 4 e 266 285 etot -8.5686E+01 mv 2 84 17 126 0 + 4 e 302 286 etot -8.5643E+01 mv 2 84 42 -187 0 + 4 e 480 274 etot -5.8616E+01 mv 2 84 4 -108 0 + 4 e 607 237 etot -6.7984E+01 mv 2 84 41 -22 0 + 4 e 362 282 etot -8.1992E+01 mv 2 84 17 174 0 + 4 e 176 307 etot -6.3116E+01 mv 1 84 107 -37 0 + 4 e 260 301 etot -8.8104E+01 mv 1 84 122 81 0 + 4 e 206 303 etot -8.8104E+01 mv 1 84 122 -134 0 + 4 e 397 291 etot -7.6263E+01 mv 2 84 80 -17 0 + 4 e 434 290 etot -7.7526E+01 mv 2 84 42 27 0 + 4 e 382 299 etot -7.3568E+01 mv 2 84 44 107 0 + 4 e 344 302 etot -8.8103E+01 mv 1 84 122 117 0 + 4 e 176 318 etot -7.2514E+01 mv 1 84 189 20 0 + 4 e 552 261 etot -8.5824E+01 mv 2 84 132 168 0 + 4 e 275 311 etot -8.4086E+01 mv 1 84 200 -49 0 + -1 e 1 330 etot 1.3528E+20 mv 1 84 59 -102 0 + 4 e 447 298 etot -7.8815E+01 mv 2 84 44 -168 0 + 4 e 343 306 etot -8.9284E+01 mv 1 84 107 133 0 + 4 e 389 304 etot -8.3902E+01 mv 1 84 122 -93 0 + 4 e 476 300 etot -7.0415E+01 mv 2 84 44 -10 0 + 4 e 191 320 etot -8.7820E+01 mv 1 84 189 32 0 + 4 e 455 280 etot -7.9566E+01 mv 2 84 52 109 0 + 4 e 316 315 etot -8.8059E+01 mv 1 84 200 155 0 c 200 1.9 0.0 + 4 e 327 314 etot -8.4643E+01 mv 1 84 200 131 0 + 4 e 410 308 etot -7.6634E+01 mv 1 84 107 98 0 + 4 e 420 309 etot -8.5988E+01 mv 1 84 107 -68 0 + 4 e 535 277 etot -7.8493E+01 mv 2 84 52 54 0 + -1 e 1 342 etot 3.0355E+20 mv 1 84 108 118 0 + 4 e 380 316 etot -8.6667E+01 mv 1 84 189 -50 0 + 4 e 436 310 etot -8.4860E+01 mv 1 84 107 51 0 + -1 e 1 345 etot 1.3528E+20 mv 1 84 108 -30 0 + 4 e 587 295 etot -8.5609E+01 mv 2 84 80 -57 0 + 4 e 723 257 etot -8.5899E+01 mv 2 84 5 15 0 + 4 e 294 322 etot -7.0257E+01 mv 1 84 197 -148 0 + 4 e 383 317 etot -8.1133E+01 mv 1 84 189 -23 0 + 4 e 194 332 etot -7.4410E+01 mv 1 84 25 -107 0 + 4 e 211 328 etot -8.7971E+01 mv 1 84 59 -17 0 + 4 e 211 333 etot -8.7420E+01 mv 1 84 25 129 0 + 4 e 484 313 etot -8.8058E+01 mv 1 84 200 -108 0 + 4 e 298 325 etot -8.7523E+01 mv 1 84 197 -182 0 + 4 e 583 305 etot -8.1018E+01 mv 1 84 122 169 0 + 4 e 199 336 etot -8.6975E+01 mv 1 84 41 -169 0 + 4 e 493 294 etot -7.9377E+01 mv 2 84 80 64 0 + 4 e 195 339 etot -7.2710E+01 mv 1 84 41 -108 0 + 4 e 212 340 etot -8.7381E+01 mv 1 84 41 -78 0 + 4 e 263 338 etot -8.7381E+01 mv 1 84 41 37 0 + -1 e 1 361 etot 1.3528E+20 mv 1 84 132 84 0 + 4 e 407 326 etot -8.7970E+01 mv 1 84 59 67 0 + 4 e 138 353 etot -8.5924E+01 mv 1 84 85 128 0 + 4 e 515 321 etot -8.2524E+01 mv 1 84 197 -23 0 + 4 e 155 348 etot -8.6118E+01 mv 1 84 128 -22 0 + 4 e 238 347 etot -8.6118E+01 mv 1 84 128 5 0 + -1 e 1 366 etot 1.3528E+20 mv 1 84 112 -188 0 + 4 e 203 351 etot -8.5130E+01 mv 1 84 85 -175 0 + 4 e 261 346 etot -8.6118E+01 mv 1 84 128 -179 0 + 4 e 245 350 etot -8.6118E+01 mv 1 84 128 22 0 + 4 e 261 349 etot -8.6118E+01 mv 1 84 128 171 0 + 4 e 238 352 etot -8.5923E+01 mv 1 84 85 8 0 + 4 e 318 341 etot -8.3300E+01 mv 1 84 108 -81 0 + 4 e 441 319 etot -7.6953E+01 mv 1 84 189 50 0 + 4 e 323 344 etot -8.6369E+01 mv 1 84 108 70 0 c 108 4.0 0.0 + 4 e 227 343 etot -8.6369E+01 mv 1 84 108 -85 0 + 4 e 282 337 etot -8.6119E+01 mv 1 84 41 55 0 + 4 e 475 331 etot -7.4507E+01 mv 1 84 25 -106 0 + -1 e 1 379 etot 1.3528E+20 mv 1 84 52 -71 0 + 4 e 566 324 etot -7.9367E+01 mv 1 84 197 80 0 + 4 e 534 312 etot -8.8059E+01 mv 1 84 200 144 0 + 4 e 248 355 etot -7.4397E+01 mv 1 84 85 69 0 + 4 e 536 327 etot -7.8257E+01 mv 1 84 59 -158 0 + 4 e 477 335 etot -8.7419E+01 mv 1 84 25 -121 0 + 4 e 163 363 etot -8.5839E+01 mv 1 84 132 33 0 + 4 e 403 329 etot -8.7970E+01 mv 1 84 59 55 0 + 4 e 157 371 etot -8.5109E+01 mv 1 84 4 -153 0 + 4 e 567 334 etot -8.4157E+01 mv 1 84 25 -17 0 + 4 e 353 357 etot -8.4448E+01 mv 1 84 5 -187 0 + 4 e 481 323 etot -8.3214E+01 mv 1 84 197 -147 0 + 4 e 217 370 etot -6.8050E+01 mv 1 84 112 -199 0 + -1 e 1 392 etot 1.3536E+20 mv 1 84 80 -118 0 + 4 e 281 362 etot -8.2169E+01 mv 1 84 132 45 0 + 4 e 387 356 etot -8.5391E+01 mv 1 84 5 25 0 + 4 e 350 360 etot -7.8438E+01 mv 1 84 5 80 0 + 4 e 277 358 etot -8.5901E+01 mv 1 84 5 85 0 + 4 e 298 364 etot -8.5839E+01 mv 1 84 132 147 0 + 4 e 294 365 etot -8.1557E+01 mv 1 84 132 107 0 + 4 e 197 368 etot -8.5719E+01 mv 1 84 112 73 0 + 4 e 445 354 etot -7.9735E+01 mv 1 84 85 171 0 + 4 e 10 401 etot -8.8104E+01 mv 0 84 122 0 0 c 122 0.0 0.0 + 4 e 256 376 etot -8.5865E+01 mv 1 84 52 117 0 + 4 e 216 383 etot -8.5686E+01 mv 1 84 17 45 0 + 4 e 138 388 etot -8.2133E+01 mv 1 84 42 182 0 + 4 e 302 373 etot -7.3324E+01 mv 1 84 4 113 0 + 4 e 219 386 etot -8.5643E+01 mv 1 84 42 200 0 + 4 e 360 367 etot -8.5425E+01 mv 1 84 112 58 0 + 4 e 310 372 etot -8.4708E+01 mv 1 84 4 -124 0 + 4 e 2 408 etot -8.7381E+01 mv 0 84 41 0 0 + 4 e 270 381 etot -8.5686E+01 mv 1 84 17 -193 0 + 4 e 27 406 etot -8.7971E+01 mv 0 84 59 0 0 c 59 0.0 0.0 + 4 e 11 410 etot -8.6119E+01 mv 0 84 128 0 0 c 128 0.0 0.0 + 4 e 12 411 etot -8.5924E+01 mv 0 84 85 0 0 c 85 0.0 0.0 + 4 e 15 414 etot -8.5719E+01 mv 0 84 112 0 0 c 112 0.0 0.0 + 4 e 34 413 etot -8.5840E+01 mv 0 84 132 0 0 c 132 0.1 0.0 + 4 e 41 412 etot -8.5901E+01 mv 0 84 5 0 0 c 5 0.1 0.0 + 4 e 407 369 etot -8.5717E+01 mv 1 84 112 -42 0 + 4 e 71 407 etot -8.7420E+01 mv 0 84 25 0 0 + 4 e 129 402 etot -8.9285E+01 mv 0 84 107 0 0 c 107 3.1 0.0 +## N0 total= 19 close= 15 far= 0 %acc 78.9 +## N1 total= 101 close= 4 far= 0 %acc 4.0 +## N2 total= 100 close= 4 far= 0 %acc 4.0 +## N3 total= 0 close= 0 far= 0 %acc 0.0 +## N4 total= 0 close= 0 far= 0 %acc 0.0 +## N5 total= 0 close= 0 far= 0 %acc 0.0 +## N6 total= 200 close= 10 far= 0 %acc 5.0 +## N7 total= 0 close= 0 far= 0 %acc 0.0 +## N8 total= 0 close= 0 far= 0 %acc 0.0 +## N9 total= 0 close= 0 far= 0 %acc 0.0 +##N10 total= 0 close= 0 far= 0 %acc 0.0 +##N11 total= 0 close= 0 far= 0 %acc 0.0 +##N12 total= 0 close= 0 far= 0 %acc 0.0 +##N13 total= 0 close= 0 far= 0 %acc 0.0 +##N14 total= 0 close= 0 far= 0 %acc 0.0 +##N15 total= 0 close= 0 far= 0 %acc 0.0 +##N16 total= 0 close= 0 far= 0 %acc 0.0 +##N17 total= 0 close= 0 far= 0 %acc 0.0 +##N18 total= 0 close= 0 far= 0 %acc 0.0 + Time for refresh 85 0.26 + make_var : nseed= 20 ntry= 420 + Time for make trial 86 0.07 +Nonsetup time 166.57 sec, Eval/s = 64911.87 +Time for iter 86 1.80 sec, Eval/s = 70233.96 + UPDATING 420 + 4 e 169 417 etot -8.5687E+01 mv 0 84 17 0 0 + 4 e 245 389 etot -8.5643E+01 mv 1 84 42 -81 0 + 4 e 488 384 etot -8.6796E+01 mv 1 84 17 -1 0 + 4 e 350 396 etot -7.6852E+01 mv 1 84 44 62 0 + 4 e 62 416 etot -8.6086E+01 mv 0 84 52 0 0 c 52 0.2 0.0 + 4 e 76 415 etot -8.6504E+01 mv 0 84 4 0 0 c 4 0.3 0.0 + 4 e 259 390 etot -8.5642E+01 mv 1 84 42 -23 0 + 4 e 618 359 etot -7.3911E+01 mv 1 84 5 -103 0 + 4 e 373 398 etot -7.9337E+01 mv 1 84 44 -96 0 + -1 e 1 1 etot 1.3528E+20 mv 6 85 27 200 0 + 4 e 131 405 etot -8.7524E+01 mv 0 84 197 0 0 c 197 0.8 0.0 + 4 e 439 399 etot -8.7012E+01 mv 1 84 44 7 0 + 4 e 372 395 etot -8.3884E+01 mv 1 84 80 48 0 + 4 e 113 420 etot -8.7014E+01 mv 0 84 44 0 0 c 44 0.3 0.0 + 4 e 404 374 etot -7.6131E+01 mv 1 84 4 -164 0 + 4 e 622 380 etot -7.8098E+01 mv 1 84 52 22 0 + 4 e 16 419 etot -8.5611E+01 mv 0 84 80 0 0 c 80 0.0 0.0 + 4 e 35 418 etot -8.5643E+01 mv 0 84 42 0 0 + 4 e 223 393 etot -8.5098E+01 mv 1 84 80 -128 0 + 4 e 296 394 etot -8.1588E+01 mv 1 84 80 42 0 + 4 e 143 404 etot -8.7820E+01 mv 0 84 189 0 0 + 4 e 457 385 etot -8.0756E+01 mv 1 84 17 176 0 + 4 e 149 409 etot -8.6369E+01 mv 0 84 108 0 0 c 108 1.2 0.0 + 4 e 162 403 etot -8.8060E+01 mv 0 84 200 0 0 c 200 1.8 0.0 + 4 e 483 400 etot -8.1733E+01 mv 1 84 44 -17 0 + 4 e 290 397 etot -8.4876E+01 mv 1 84 44 -49 0 + -1 e 1 19 etot 1.3528E+20 mv 6 85 101 121 0 + 4 e 384 382 etot -7.6355E+01 mv 1 84 17 108 0 + 4 e 253 377 etot -8.6085E+01 mv 1 84 52 -135 0 + 4 e 401 375 etot -7.3598E+01 mv 1 84 4 -69 0 + 4 e 421 387 etot -7.2881E+01 mv 1 84 42 -119 0 + 4 e 384 391 etot -7.8460E+01 mv 1 84 80 -11 0 + 4 e 364 378 etot -7.3292E+01 mv 1 84 52 -13 0 + -1 e 1 32 etot 1.3528E+20 mv 6 85 97 104 0 + -1 e 1 10 etot 1.3528E+20 mv 6 85 27 46 0 + -1 e 1 24 etot 1.3528E+20 mv 6 85 174 128 0 + 4 e 192 29 etot -7.3469E+01 mv 6 85 174 140 0 + 4 e 195 11 etot -8.7900E+01 mv 6 85 101 84 0 + 4 e 196 23 etot -7.1900E+01 mv 6 85 174 103 0 + 4 e 257 25 etot -7.2962E+01 mv 6 85 174 109 0 + 4 e 274 31 etot -8.6315E+01 mv 6 85 97 12 0 + 4 e 291 4 etot -7.2958E+01 mv 6 85 27 36 0 + 4 e 273 21 etot -7.9772E+01 mv 6 85 174 79 0 + 4 e 312 6 etot -7.8276E+01 mv 6 85 27 44 0 + 4 e 286 17 etot -8.6184E+01 mv 6 85 101 36 0 + 4 e 293 27 etot -8.3322E+01 mv 6 85 174 87 0 + 4 e 340 16 etot -7.8096E+01 mv 6 85 101 198 0 + 4 e 316 15 etot -8.8046E+01 mv 6 85 101 180 0 + 4 e 307 9 etot -8.7040E+01 mv 6 85 27 88 0 + 4 e 361 5 etot -8.3619E+01 mv 6 85 27 17 0 + 4 e 328 28 etot -8.6668E+01 mv 6 85 174 23 0 c 23 38.2 0.0 + 4 e 322 34 etot -8.7120E+01 mv 6 85 97 135 0 + 4 e 330 2 etot -8.2348E+01 mv 6 85 27 23 0 + 4 e 334 3 etot -8.3003E+01 mv 6 85 27 75 0 + -1 e 1 54 etot 1.3528E+20 mv 6 85 22 118 0 + 4 e 328 35 etot -7.5179E+01 mv 6 85 97 54 0 + 4 e 372 30 etot -8.2638E+01 mv 6 85 174 157 0 + 4 e 383 13 etot -7.6602E+01 mv 6 85 101 99 0 + 4 e 372 22 etot -7.7021E+01 mv 6 85 174 200 0 + 4 e 417 7 etot -8.3003E+01 mv 6 85 27 60 0 + 4 e 394 33 etot -8.1755E+01 mv 6 85 97 129 0 + 4 e 190 38 etot -6.8473E+01 mv 6 85 97 70 0 + 4 e 389 18 etot -7.4159E+01 mv 6 85 101 150 0 + 4 e 400 26 etot -7.4249E+01 mv 6 85 174 46 0 + 4 e 222 37 etot -8.4780E+01 mv 6 85 97 63 0 + 4 e 405 36 etot -8.6887E+01 mv 6 85 97 107 0 + 4 e 444 12 etot -8.5718E+01 mv 6 85 101 112 0 + 4 e 401 8 etot -8.4397E+01 mv 6 85 27 154 0 c 27 112.9 0.1 + 4 e 458 14 etot -8.9161E+01 mv 6 85 101 167 0 + 4 e 464 20 etot -8.2741E+01 mv 6 85 101 104 0 + 4 e 167 55 etot -8.6014E+01 mv 6 85 22 61 0 + 4 e 129 57 etot -7.0546E+01 mv 6 85 22 64 0 + 4 e 290 50 etot -8.3269E+01 mv 6 85 25 56 0 + 4 e 223 46 etot -7.2831E+01 mv 6 85 25 108 0 + 4 e 287 53 etot -8.3004E+01 mv 6 85 22 27 0 + 4 e 308 40 etot -8.6713E+01 mv 6 85 97 104 0 + 4 e 297 47 etot -8.3023E+01 mv 6 85 25 34 0 + 4 e 311 56 etot -7.7687E+01 mv 6 85 22 155 0 + 4 e 426 42 etot -8.7322E+01 mv 6 85 25 69 0 + 4 e 254 58 etot -8.6826E+01 mv 6 85 22 88 0 + 4 e 309 60 etot -7.0183E+01 mv 6 85 22 27 0 + 4 e 430 44 etot -7.6683E+01 mv 6 85 25 30 0 + 4 e 10 81 etot 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0 %acc 0.0 +##N13 total= 0 close= 0 far= 0 %acc 0.0 +##N14 total= 0 close= 0 far= 0 %acc 0.0 +##N15 total= 0 close= 0 far= 0 %acc 0.0 +##N16 total= 0 close= 0 far= 0 %acc 0.0 +##N17 total= 0 close= 0 far= 0 %acc 0.0 +##N18 total= 0 close= 0 far= 0 %acc 0.0 + Time for refresh 86 0.30 + make_var : nseed= 20 ntry= 420 + Time for make trial 87 0.05 +Nonsetup time 168.27 sec, Eval/s = 64973.14 +Time for iter 87 1.70 sec, Eval/s = 70966.02 + UPDATING 420 + 4 e 402 395 etot -8.7765E+01 mv 1 85 34 102 0 + 4 e 89 412 etot -8.5695E+01 mv 0 85 141 0 0 c 141 0.5 0.0 + 4 e 521 386 etot -8.7029E+01 mv 1 85 171 57 0 + 4 e 69 409 etot -8.6211E+01 mv 0 85 32 0 0 c 32 0.2 0.0 + 4 e 422 389 etot -8.5463E+01 mv 1 85 171 93 0 + 4 e 379 397 etot -8.4696E+01 mv 1 85 76 -1 0 + 4 e 338 382 etot -8.4519E+01 mv 1 85 72 -80 0 + 4 e 48 420 etot -8.5875E+01 mv 0 85 76 0 0 + 4 e 362 398 etot -8.4364E+01 mv 1 85 76 5 0 + -1 e 1 1 etot 1.3528E+20 mv 6 86 166 37 0 + 4 e 405 396 etot -8.1938E+01 mv 1 85 76 95 0 + -1 e 1 3 etot 1.3528E+20 mv 6 86 166 51 0 + 4 e 663 394 etot -8.7617E+01 mv 1 85 34 80 0 + 4 e 615 383 etot -7.0457E+01 mv 1 85 72 -143 0 + 4 e 48 417 etot -8.5518E+01 mv 0 85 72 0 0 c 72 0.3 0.0 + 4 e 76 418 etot -8.5477E+01 mv 0 85 171 0 0 c 171 0.3 0.0 + 4 e 46 410 etot -8.6134E+01 mv 0 85 98 0 0 + 4 e 354 384 etot -8.5517E+01 mv 1 85 72 177 0 + 4 e 52 415 etot -8.6229E+01 mv 0 85 33 0 0 c 33 0.1 0.0 + 4 e 649 392 etot -8.7623E+01 mv 1 85 34 72 0 + 4 e 401 377 etot -8.2436E+01 mv 1 85 111 127 0 + 4 e 60 416 etot -8.5553E+01 mv 0 85 111 0 0 + 4 e 129 405 etot -8.7640E+01 mv 0 85 25 0 0 c 25 0.6 0.0 + 4 e 353 390 etot -8.3889E+01 mv 1 85 171 -152 0 + -1 e 1 16 etot 1.3528E+20 mv 6 86 19 80 0 + 4 e 551 400 etot -8.4841E+01 mv 1 85 76 -148 0 + -1 e 1 20 etot 1.3528E+20 mv 6 86 19 168 0 + 4 e 561 419 etot -8.7624E+01 mv 0 85 34 0 0 + 4 e 740 357 etot -8.3612E+01 mv 1 85 141 -103 0 + 4 e 2 10 etot -8.7217E+01 mv 6 86 166 38 0 + 4 e 388 362 etot -7.5766E+01 mv 1 85 198 -22 0 + 9 e 1001 336 etot 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etot -7.0723E+01 mv 6 86 145 186 0 + 4 e 244 130 etot -8.3980E+01 mv 6 86 143 54 0 + 4 e 193 131 etot -6.6675E+01 mv 6 86 57 93 0 + -1 e 1 160 etot 1.3528E+20 mv 6 86 159 84 0 + -1 e 1 161 etot 1.3528E+20 mv 6 86 64 118 0 + 4 e 198 143 etot -7.7443E+01 mv 6 86 43 180 0 + 4 e 357 122 etot -7.7130E+01 mv 6 86 143 165 0 + 4 e 248 139 etot -7.4731E+01 mv 6 86 57 169 0 + 4 e 326 133 etot -8.5210E+01 mv 6 86 57 160 0 + -1 e 1 166 etot 1.3528E+20 mv 6 86 64 82 0 + 4 e 230 147 etot -7.0482E+01 mv 6 86 43 8 0 + -1 e 1 168 etot 1.3528E+20 mv 6 86 64 41 0 + 4 e 220 134 etot -8.5210E+01 mv 6 86 57 79 0 + 4 e 545 112 etot -8.1734E+01 mv 6 86 26 78 0 + 4 e 180 152 etot -7.1413E+01 mv 6 86 159 29 0 + 4 e 283 129 etot -8.5885E+01 mv 6 86 143 68 0 + 4 e 222 151 etot -8.5261E+01 mv 6 86 159 29 0 + 4 e 365 140 etot -8.2241E+01 mv 6 86 57 53 0 + -1 e 1 175 etot 1.3528E+20 mv 6 86 56 121 0 + 4 e 412 136 etot -7.7596E+01 mv 6 86 57 138 0 + -1 e 1 177 etot 1.3528E+20 mv 6 86 56 113 0 + 4 e 336 145 etot -8.1097E+01 mv 6 86 43 161 0 + 4 e 568 120 etot -8.5954E+01 mv 6 86 26 151 0 + 4 e 313 148 etot -8.3678E+01 mv 6 86 43 162 0 + 4 e 288 150 etot -8.2978E+01 mv 6 86 43 160 0 + 4 e 378 142 etot -8.4069E+01 mv 6 86 43 123 0 + 4 e 338 149 etot -8.3880E+01 mv 6 86 43 38 0 + 4 e 322 159 etot -6.8648E+01 mv 6 86 159 194 0 + 4 e 355 156 etot -8.3003E+01 mv 6 86 159 27 0 + -1 e 1 186 etot 1.3528E+20 mv 6 86 53 48 0 + 4 e 309 163 etot -8.5266E+01 mv 6 86 64 68 0 c 64 33.4 0.1 + 4 e 315 164 etot -8.2907E+01 mv 6 86 64 165 0 + 4 e 270 171 etot -8.5057E+01 mv 6 86 56 148 0 c 56 41.9 0.1 + 4 e 422 154 etot -7.4916E+01 mv 6 86 159 114 0 + 4 e 394 157 etot -8.3738E+01 mv 6 86 159 69 0 + 4 e 530 117 etot -8.3079E+01 mv 6 86 26 49 0 + 4 e 246 162 etot -8.5000E+01 mv 6 86 64 38 0 + 4 e 176 183 etot -8.4982E+01 mv 6 86 53 73 0 + -1 e 1 195 etot 1.3528E+20 mv 6 86 14 96 0 + -1 e 1 196 etot 1.3528E+20 mv 6 86 14 84 0 + 4 e 634 135 etot -8.5209E+01 mv 6 86 57 3 0 + 4 e 594 138 etot -8.1419E+01 mv 6 86 57 146 0 + 4 e 505 124 etot -8.2476E+01 mv 6 86 143 175 0 + 4 e 241 174 etot -7.3004E+01 mv 6 86 56 163 0 + 4 e 495 125 etot -8.0058E+01 mv 6 86 143 135 0 + 4 e 335 169 etot -8.6633E+01 mv 6 86 64 150 0 + 4 e 304 172 etot -6.9942E+01 mv 6 86 56 77 0 + 4 e 197 184 etot -8.4982E+01 mv 6 86 53 65 0 + 4 e 19 200 etot -8.6714E+01 mv 6 86 14 147 0 c 147 0.0 0.0 + 4 e 309 158 etot -8.4130E+01 mv 6 86 159 140 0 + -1 e 1 207 etot 1.3528E+20 mv 2 86 19 175 0 + 4 e 391 165 etot -8.3998E+01 mv 6 86 64 81 0 + 4 e 269 176 etot -8.5233E+01 mv 6 86 56 156 0 c 56 191.3 0.2 + 4 e 466 137 etot -7.9021E+01 mv 6 86 57 166 0 + 4 e 268 180 etot -8.5431E+01 mv 6 86 56 57 0 c 56 115.6 0.2 + -1 e 1 212 etot 1.3528E+20 mv 2 86 98 -110 0 + 4 e 293 181 etot -8.3515E+01 mv 6 86 53 156 0 + 4 e 141 198 etot -8.6689E+01 mv 6 86 14 46 0 + 4 e 337 182 etot -8.2915E+01 mv 6 86 53 177 0 + 4 e 316 170 etot -8.4664E+01 mv 6 86 64 37 0 + 4 e 263 173 etot -8.5057E+01 mv 6 86 56 87 0 + 4 e 192 189 etot -8.3944E+01 mv 6 86 53 55 0 + 4 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99 44 0 + 4 e 567 202 etot -8.2958E+01 mv 2 86 166 -86 0 + 4 e 204 263 etot -8.5211E+01 mv 2 86 143 -157 0 + -1 e 1 283 etot 1.3528E+20 mv 2 86 64 -50 0 + -1 e 1 284 etot 1.3528E+20 mv 2 86 64 -149 0 + 4 e 341 251 etot -8.5229E+01 mv 2 86 95 -85 0 + 4 e 152 271 etot -7.5409E+01 mv 2 86 43 -25 0 + 4 e 378 247 etot -8.0966E+01 mv 2 86 145 -27 0 + 4 e 251 266 etot -8.4940E+01 mv 2 86 57 190 0 + 4 e 197 273 etot -6.9092E+01 mv 2 86 43 -87 0 + 4 e 303 261 etot -8.5211E+01 mv 2 86 143 -60 0 + 4 e 353 259 etot -7.5862E+01 mv 2 86 26 -61 0 + 4 e 648 208 etot -7.9109E+01 mv 2 86 19 -6 0 + 4 e 134 280 etot -6.9900E+01 mv 2 86 159 166 0 + 4 e 358 260 etot -8.6177E+01 mv 2 86 26 136 0 + 4 e 291 255 etot -8.5229E+01 mv 2 86 95 142 0 + 4 e 565 236 etot -7.8827E+01 mv 2 86 70 65 0 + 4 e 445 254 etot -8.5228E+01 mv 2 86 95 78 0 + 4 e 658 232 etot -8.6502E+01 mv 2 86 99 43 0 c 99 50.3 0.4 + 4 e 352 268 etot -8.5209E+01 mv 2 86 57 -152 0 + 4 e 191 285 etot -8.5189E+01 mv 2 86 64 29 0 + 4 e 266 269 etot 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289 etot -7.5905E+01 mv 2 86 56 97 0 + -1 e 1 322 etot 1.3528E+20 mv 1 86 148 -72 0 + 4 e 320 297 etot -7.9109E+01 mv 2 86 14 -94 0 + 4 e 358 294 etot -8.5024E+01 mv 2 86 53 -111 0 c 53 4.6 0.0 + 4 e 219 303 etot -8.5194E+01 mv 1 86 166 129 0 + 4 e 412 290 etot -7.7015E+01 mv 2 86 56 -200 0 + 4 e 354 282 etot -7.4852E+01 mv 2 86 64 112 0 + 4 e 254 307 etot -8.7256E+01 mv 1 86 19 193 0 + 4 e 571 279 etot -7.7542E+01 mv 2 86 159 -197 0 + 4 e 675 274 etot -8.6122E+01 mv 2 86 43 -103 0 c 43 196.2 1.0 + 4 e 234 311 etot -8.6191E+01 mv 1 86 98 111 0 c 98 2.3 0.0 + 4 e 287 308 etot -8.5041E+01 mv 1 86 19 -121 0 + 4 e 230 315 etot -8.6191E+01 mv 1 86 98 -153 0 + 4 e 251 314 etot -8.4481E+01 mv 1 86 98 58 0 + 4 e 218 318 etot -8.3636E+01 mv 1 86 130 44 0 + 4 e 286 312 etot -8.6191E+01 mv 1 86 98 43 0 + 4 e 452 300 etot -7.2332E+01 mv 2 86 14 -84 0 + 4 e 290 313 etot -8.6107E+01 mv 1 86 98 62 0 + 4 e 374 305 etot -8.5194E+01 mv 1 86 166 -90 0 + 4 e 196 326 etot -8.6232E+01 mv 1 86 30 -8 0 + -1 e 1 341 etot 1.3528E+20 mv 1 86 55 75 0 + -1 e 1 342 etot 1.3528E+20 mv 1 86 55 144 0 + 4 e 226 324 etot -7.4054E+01 mv 1 86 148 170 0 + -1 e 1 344 etot 1.3528E+20 mv 1 86 55 87 0 + 4 e 312 316 etot -7.8297E+01 mv 1 86 130 182 0 + 4 e 138 332 etot -7.3686E+01 mv 1 86 99 135 0 + 4 e 247 323 etot -8.7246E+01 mv 1 86 148 -27 0 + 4 e 296 320 etot -7.6727E+01 mv 1 86 130 -26 0 + 4 e 416 296 etot -8.4285E+01 mv 2 86 14 77 0 + 4 e 168 331 etot -8.6081E+01 mv 1 86 99 38 0 + 4 e 266 327 etot -8.3613E+01 mv 1 86 30 136 0 + -1 e 1 352 etot 1.3528E+20 mv 1 86 95 -70 0 + 4 e 190 333 etot -8.6115E+01 mv 1 86 99 187 0 + 4 e 672 267 etot -6.3974E+01 mv 2 86 57 26 0 + 4 e 515 306 etot -8.2280E+01 mv 1 86 19 111 0 + 4 e 467 310 etot -8.6119E+01 mv 1 86 19 97 0 + 4 e 249 329 etot -8.0309E+01 mv 1 86 30 -118 0 + 4 e 212 334 etot -8.4759E+01 mv 1 86 99 -97 0 + 4 e 359 325 etot -8.7245E+01 mv 1 86 148 -164 0 + 4 e 595 281 etot -8.5187E+01 mv 2 86 64 49 0 + 4 e 270 321 etot -8.7246E+01 mv 1 86 148 -6 0 + 4 e 565 309 etot -8.0739E+01 mv 1 86 19 33 0 + 4 e 271 328 etot -8.4689E+01 mv 1 86 30 19 0 + 4 e 288 336 etot -8.5478E+01 mv 1 86 70 162 0 + 4 e 216 347 etot -6.0847E+01 mv 1 86 145 152 0 + 4 e 312 337 etot -7.4016E+01 mv 1 86 70 85 0 + 4 e 277 340 etot -8.5478E+01 mv 1 86 70 -73 0 + -1 e 1 367 etot 1.3528E+20 mv 1 86 57 83 0 + 4 e 234 348 etot -8.5360E+01 mv 1 86 145 6 0 + 4 e 302 339 etot -8.5478E+01 mv 1 86 70 42 0 + 4 e 328 335 etot -8.6114E+01 mv 1 86 99 -18 0 + 4 e 743 301 etot -7.7759E+01 mv 1 86 166 -146 0 + 4 e 286 343 etot -8.3946E+01 mv 1 86 55 -139 0 + 4 e 160 359 etot -7.6986E+01 mv 1 86 26 -29 0 + 4 e 611 293 etot -8.2274E+01 mv 2 86 53 -80 0 + 4 e 459 317 etot -7.7668E+01 mv 1 86 130 186 0 + 4 e 134 365 etot -8.5211E+01 mv 1 86 143 -33 0 + 4 e 325 351 etot -8.5228E+01 mv 1 86 95 72 0 + 4 e 573 302 etot -8.1866E+01 mv 1 86 166 18 0 + 4 e 287 358 etot -8.4783E+01 mv 1 86 26 -58 0 + 4 e 443 338 etot -8.5537E+01 mv 1 86 70 163 0 c 70 36.6 0.1 + 4 e 405 346 etot -8.4621E+01 mv 1 86 145 66 0 + -1 e 1 383 etot 1.3528E+20 mv 1 86 64 -122 0 + 4 e 312 357 etot -8.6177E+01 mv 1 86 26 194 0 + 4 e 262 360 etot -8.6177E+01 mv 1 86 26 77 0 + 4 e 174 373 etot -8.5115E+01 mv 1 86 43 101 0 + 4 e 444 345 etot -8.0119E+01 mv 1 86 55 -186 0 + 4 e 610 330 etot -8.5474E+01 mv 1 86 30 -15 0 + 4 e 202 370 etot -6.4680E+01 mv 1 86 57 -117 0 + 4 e 440 349 etot -7.7480E+01 mv 1 86 145 58 0 + 4 e 242 369 etot -8.5210E+01 mv 1 86 57 83 0 + 4 e 301 363 etot -8.5211E+01 mv 1 86 143 29 0 + 4 e 254 371 etot -8.0722E+01 mv 1 86 43 86 0 + 4 e 307 355 etot -8.5229E+01 mv 1 86 95 -153 0 + 4 e 456 356 etot -8.6192E+01 mv 1 86 26 -176 0 c 26 71.1 0.0 + 4 e 495 354 etot -7.5984E+01 mv 1 86 95 -140 0 + 4 e 327 368 etot -8.4206E+01 mv 1 86 57 -194 0 + 4 e 149 377 etot -6.6275E+01 mv 1 86 159 -42 0 + 4 e 516 353 etot -8.3828E+01 mv 1 86 95 -184 0 + 4 e 301 375 etot -8.5115E+01 mv 1 86 43 -186 0 + 4 e 341 372 etot -8.3881E+01 mv 1 86 43 147 0 + 4 e 319 362 etot -7.5475E+01 mv 1 86 143 -132 0 + 4 e 403 350 etot -8.5353E+01 mv 1 86 145 -146 0 + 4 e 213 376 etot -8.4629E+01 mv 1 86 159 97 0 + 4 e 233 386 etot -7.7444E+01 mv 1 86 56 -16 0 + 4 e 226 388 etot -8.4996E+01 mv 1 86 56 110 0 + 4 e 16 406 etot -8.6232E+01 mv 0 86 30 0 0 c 30 0.0 0.0 + 4 e 210 391 etot -8.4982E+01 mv 1 86 53 -21 0 + 4 e 315 364 etot -8.5210E+01 mv 1 86 143 -52 0 + 4 e 296 382 etot -8.5189E+01 mv 1 86 64 68 0 + 4 e 102 401 etot -8.5195E+01 mv 0 86 166 0 0 + 4 e 30 405 etot -8.7247E+01 mv 0 86 148 0 0 c 148 0.1 0.0 + 4 e 137 396 etot -8.5225E+01 mv 1 86 14 133 0 + 4 e 278 385 etot -8.4872E+01 mv 1 86 64 40 0 + 4 e 27 408 etot -8.5478E+01 mv 0 86 70 0 0 + 4 e 10 410 etot -8.5361E+01 mv 0 86 145 0 0 c 145 0.0 0.0 + 4 e 46 404 etot -8.5563E+01 mv 0 86 130 0 0 c 130 0.2 0.0 + 4 e 338 379 etot -8.3457E+01 mv 1 86 159 151 0 + 4 e 15 416 etot -8.5039E+01 mv 0 86 159 0 0 c 159 0.0 0.0 +## N0 total= 18 close= 12 far= 0 %acc 66.7 +## N1 total= 102 close= 3 far= 0 %acc 2.9 +## N2 total= 100 close= 6 far= 1 %acc 7.0 +## N3 total= 0 close= 0 far= 0 %acc 0.0 +## N4 total= 0 close= 0 far= 0 %acc 0.0 +## N5 total= 0 close= 0 far= 0 %acc 0.0 +## N6 total= 200 close= 12 far= 1 %acc 6.5 +## N7 total= 0 close= 0 far= 0 %acc 0.0 +## N8 total= 0 close= 0 far= 0 %acc 0.0 +## N9 total= 0 close= 0 far= 0 %acc 0.0 +##N10 total= 0 close= 0 far= 0 %acc 0.0 +##N11 total= 0 close= 0 far= 0 %acc 0.0 +##N12 total= 0 close= 0 far= 0 %acc 0.0 +##N13 total= 0 close= 0 far= 0 %acc 0.0 +##N14 total= 0 close= 0 far= 0 %acc 0.0 +##N15 total= 0 close= 0 far= 0 %acc 0.0 +##N16 total= 0 close= 0 far= 0 %acc 0.0 +##N17 total= 0 close= 0 far= 0 %acc 0.0 +##N18 total= 0 close= 0 far= 0 %acc 0.0 + Time for refresh 87 0.41 + make_var : nseed= 20 ntry= 420 + Time for make trial 88 0.07 +Nonsetup time 170.21 sec, Eval/s = 64950.17 +Time for iter 88 1.94 sec, Eval/s = 62959.00 + UPDATING 420 + 4 e 529 387 etot -7.5172E+01 mv 1 86 56 -57 0 + 4 e 113 409 etot -8.5439E+01 mv 0 86 55 0 0 c 55 0.9 0.0 + 4 e 266 394 etot -8.1234E+01 mv 1 86 53 152 0 + 4 e 675 366 etot -8.0390E+01 mv 1 86 57 -36 0 + 4 e 45 414 etot -8.5210E+01 mv 0 86 57 0 0 c 57 0.1 0.0 + 4 e 333 397 etot -8.5224E+01 mv 1 86 14 130 0 + 4 e 23 419 etot -8.4983E+01 mv 0 86 53 0 0 + 4 e 681 384 etot -7.7102E+01 mv 1 86 64 73 0 + 4 e 562 381 etot -8.6043E+01 mv 1 86 64 -53 0 + 4 e 88 411 etot -8.5229E+01 mv 0 86 95 0 0 c 95 0.8 0.0 + 4 e 451 378 etot -8.2036E+01 mv 1 86 159 75 0 + 4 e 95 415 etot -8.5115E+01 mv 0 86 43 0 0 + 4 e 52 412 etot -8.6178E+01 mv 0 86 26 0 0 + 4 e 686 374 etot -7.6932E+01 mv 1 86 43 -76 0 + 4 e 131 407 etot -8.6115E+01 mv 0 86 99 0 0 + 4 e 200 398 etot -8.5225E+01 mv 1 86 14 -146 0 + 4 e 135 402 etot -8.6121E+01 mv 0 86 19 0 0 c 19 1.5 0.0 + 4 e 316 389 etot -6.7316E+01 mv 1 86 56 -87 0 + 4 e 105 420 etot -8.5225E+01 mv 0 86 14 0 0 + 4 e 470 392 etot -8.0011E+01 mv 1 86 53 117 0 + 4 e 379 390 etot -8.4995E+01 mv 1 86 56 -183 0 + -1 e 1 17 etot 1.3528E+20 mv 6 87 104 68 0 + 4 e 218 400 etot -8.4583E+01 mv 1 86 14 19 0 + 4 e 289 393 etot -7.6003E+01 mv 1 86 53 61 0 + 4 e 44 413 etot -8.5211E+01 mv 0 86 143 0 0 c 143 0.1 0.0 + 4 e 222 380 etot -8.5038E+01 mv 1 86 159 192 0 + 4 e 620 361 etot -7.7587E+01 mv 1 86 143 -129 0 + 4 e 26 417 etot -8.5189E+01 mv 0 86 64 0 0 + 4 e 132 403 etot -8.6192E+01 mv 0 86 98 0 0 c 98 1.2 0.0 + 4 e 149 418 etot -8.4996E+01 mv 0 86 56 0 0 + 4 e 214 395 etot -8.3614E+01 mv 1 86 53 -80 0 + 4 e 286 399 etot -8.4664E+01 mv 1 86 14 -91 0 + 4 e 11 31 etot -8.3966E+01 mv 6 87 72 106 0 c 106 0.0 0.0 + 4 e 153 32 etot -8.6727E+01 mv 6 87 72 2 0 + 4 e 178 29 etot -8.4070E+01 mv 6 87 43 190 0 + 4 e 183 7 etot -8.3863E+01 mv 6 87 169 5 0 + 4 e 199 5 etot -8.6713E+01 mv 6 87 169 147 0 + 4 e 207 22 etot -7.2778E+01 mv 6 87 43 153 0 + 4 e 248 18 etot -6.8201E+01 mv 6 87 104 156 0 + 4 e 267 9 etot -7.2803E+01 mv 6 87 169 100 0 + 4 e 283 21 etot -8.5901E+01 mv 6 87 43 5 0 + 4 e 287 24 etot -8.5349E+01 mv 6 87 43 19 0 + 4 e 246 3 etot -7.5243E+01 mv 6 87 169 105 0 + 4 e 288 30 etot -8.4715E+01 mv 6 87 43 94 0 + -1 e 1 44 etot 1.3528E+20 mv 6 87 131 160 0 + 4 e 281 13 etot -9.2542E+01 mv 6 87 104 38 0 + 4 e 277 19 etot -9.2302E+01 mv 6 87 104 145 0 + 4 e 303 23 etot -8.6870E+01 mv 6 87 43 11 0 c 43 78.0 0.7 + 4 e 21 45 etot -8.3286E+01 mv 6 87 131 6 0 c 6 0.0 0.0 + -1 e 1 49 etot 1.3528E+20 mv 6 87 131 53 0 + 4 e 317 4 etot -8.4674E+01 mv 6 87 169 154 0 + 4 e 312 10 etot -8.1669E+01 mv 6 87 169 109 0 + 4 e 321 33 etot -8.5190E+01 mv 6 87 72 167 0 + 4 e 331 26 etot -8.3690E+01 mv 6 87 43 6 0 + 4 e 317 28 etot -8.3856E+01 mv 6 87 43 90 0 + -1 e 1 55 etot 1.3528E+20 mv 6 87 56 18 0 + 4 e 339 15 etot -8.8567E+01 mv 6 87 104 59 0 + 4 e 342 11 etot -8.7971E+01 mv 6 87 104 172 0 + 4 e 360 1 etot -8.1575E+01 mv 6 87 169 159 0 + 4 e 337 25 etot -8.3022E+01 mv 6 87 43 33 0 + -1 e 1 59 etot 1.7204E+22 mv 6 87 56 156 0 + 4 e 365 2 etot -8.4675E+01 mv 6 87 169 162 0 + -1 e 1 62 etot 1.3528E+20 mv 6 87 70 20 0 + 4 e 414 27 etot -7.5080E+01 mv 6 87 43 41 0 + 4 e 407 12 etot -8.5355E+01 mv 6 87 104 2 0 + 4 e 434 8 etot -7.5190E+01 mv 6 87 169 128 0 + 4 e 483 20 etot -8.8060E+01 mv 6 87 104 17 0 + 4 e 319 34 etot -7.5738E+01 mv 6 87 72 155 0 + 4 e 532 6 etot -7.7205E+01 mv 6 87 169 164 0 + 4 e 242 41 etot -8.5576E+01 mv 6 87 131 7 0 + 4 e 193 43 etot -7.2722E+01 mv 6 87 131 181 0 + 4 e 299 38 etot -7.5555E+01 mv 6 87 72 62 0 + 4 e 280 40 etot -6.7195E+01 mv 6 87 72 145 0 + 4 e 581 14 etot -9.2540E+01 mv 6 87 104 179 0 + -1 e 1 74 etot 1.3528E+20 mv 6 87 118 91 0 + 4 e 285 42 etot -8.3345E+01 mv 6 87 131 6 0 + 4 e 355 46 etot -7.6219E+01 mv 6 87 131 47 0 + -1 e 1 77 etot 1.3528E+20 mv 6 87 118 73 0 + 4 e 350 51 etot -8.6084E+01 mv 6 87 56 76 0 + 4 e 537 16 etot -6.1093E+01 mv 6 87 104 77 0 + 4 e 282 52 etot -8.3991E+01 mv 6 87 56 43 0 + 4 e 327 39 etot -7.7586E+01 mv 6 87 72 83 0 + 4 e 348 48 etot -8.2431E+01 mv 6 87 131 114 0 + 4 e 45 78 etot -8.5210E+01 mv 6 87 118 57 0 + -1 e 1 84 etot 1.3528E+20 mv 6 87 137 124 0 + 4 e 274 65 etot -8.5260E+01 mv 6 87 70 154 0 + 4 e 559 36 etot -7.7780E+01 mv 6 87 72 63 0 + 4 e 362 57 etot -7.5584E+01 mv 6 87 56 172 0 + 4 e 113 76 etot -8.3519E+01 mv 6 87 118 93 0 + 4 e 244 67 etot -6.9535E+01 mv 6 87 70 110 0 + -1 e 1 90 etot 1.3528E+20 mv 6 87 137 200 0 + 4 e 582 37 etot -8.1913E+01 mv 6 87 72 193 0 + 4 e 244 69 etot -7.5607E+01 mv 6 87 70 121 0 + 4 e 388 47 etot -7.9894E+01 mv 6 87 131 185 0 + 4 e 186 72 etot -8.5319E+01 mv 6 87 118 166 0 c 118 1.5 0.0 + 4 e 271 60 etot -8.4216E+01 mv 6 87 56 89 0 c 89 185.7 0.4 + 4 e 292 70 etot -6.4497E+01 mv 6 87 70 16 0 + 4 e 295 64 etot -8.5538E+01 mv 6 87 70 79 0 c 70 3.3 0.0 + 4 e 266 75 etot -8.1453E+01 mv 6 87 118 133 0 + 4 e 370 66 etot -8.3588E+01 mv 6 87 70 3 0 + 4 e 462 58 etot -8.0206E+01 mv 6 87 56 48 0 + 4 e 546 35 etot -8.0746E+01 mv 6 87 72 100 0 + 4 e 188 83 etot -7.8047E+01 mv 6 87 137 96 0 + 4 e 220 71 etot -8.8207E+01 mv 6 87 118 102 0 + 4 e 345 56 etot -7.5141E+01 mv 6 87 56 23 0 + 4 e 407 53 etot -8.5430E+01 mv 6 87 56 85 0 + 4 e 208 89 etot -8.8359E+01 mv 6 87 137 139 0 + 4 e 290 79 etot -8.1078E+01 mv 6 87 118 33 0 + 4 e 297 68 etot -8.4523E+01 mv 6 87 70 16 0 + 4 e 271 88 etot -7.7525E+01 mv 6 87 137 107 0 + 4 e 302 87 etot -8.9059E+01 mv 6 87 137 153 0 + 4 e 264 93 etot -7.6581E+01 mv 6 87 45 33 0 + 4 e 371 80 etot -8.0557E+01 mv 6 87 118 107 0 + -1 e 1 113 etot 1.3528E+20 mv 6 87 29 185 0 + 4 e 474 61 etot -7.6990E+01 mv 6 87 70 124 0 + 4 e 351 82 etot -8.1866E+01 mv 6 87 137 155 0 + 4 e 351 85 etot -8.2559E+01 mv 6 87 137 24 0 + 4 e 205 97 etot -8.1588E+01 mv 6 87 45 191 0 + 4 e 468 73 etot -8.1127E+01 mv 6 87 118 106 0 + 4 e 516 54 etot -7.7364E+01 mv 6 87 56 79 0 + 4 e 270 95 etot -8.2853E+01 mv 6 87 45 4 0 + 4 e 122 110 etot -6.4784E+01 mv 6 87 64 11 0 + 4 e 327 94 etot -7.7749E+01 mv 6 87 45 90 0 + 4 e 589 63 etot -8.6825E+01 mv 6 87 70 45 0 + 4 e 484 81 etot -8.7835E+01 mv 6 87 137 117 0 + 4 e 471 86 etot -7.8186E+01 mv 6 87 137 133 0 + 4 e 422 92 etot -8.2057E+01 mv 6 87 45 116 0 + 4 e 189 111 etot -7.3353E+01 mv 6 87 29 66 0 + 4 e 343 101 etot -8.5266E+01 mv 6 87 64 75 0 + 4 e 445 91 etot -8.7541E+01 mv 6 87 45 49 0 + 4 e 288 107 etot -8.3770E+01 mv 6 87 64 49 0 + 4 e 117 122 etot -6.8301E+01 mv 6 87 21 4 0 + 4 e 658 50 etot -8.2809E+01 mv 6 87 131 73 0 + 4 e 197 118 etot -7.0511E+01 mv 6 87 29 22 0 + 4 e 421 103 etot -7.9409E+01 mv 6 87 64 90 0 + 4 e 360 108 etot -8.0560E+01 mv 6 87 64 164 0 + 4 e 293 114 etot -7.9880E+01 mv 6 87 29 180 0 + 4 e 282 121 etot -8.2173E+01 mv 6 87 21 6 0 + 4 e 150 130 etot -6.2543E+01 mv 6 87 21 184 0 + -1 e 1 139 etot 1.3528E+20 mv 6 87 102 42 0 + 4 e 294 105 etot -7.6242E+01 mv 6 87 64 16 0 + 4 e 217 124 etot -8.1708E+01 mv 6 87 21 15 0 + 4 e 259 123 etot -8.7014E+01 mv 6 87 21 78 0 + -1 e 1 143 etot 1.3528E+20 mv 6 87 149 177 0 + 4 e 348 112 etot -8.5248E+01 mv 6 87 29 153 0 + 4 e 350 119 etot -8.5249E+01 mv 6 87 29 28 0 + 4 e 313 109 etot -7.9047E+01 mv 6 87 64 139 0 + 4 e 347 117 etot -8.5110E+01 mv 6 87 29 122 0 + 4 e 181 131 etot -8.5239E+01 mv 6 87 102 149 0 + 4 e 396 98 etot -7.2130E+01 mv 6 87 45 49 0 + 4 e 528 104 etot -7.2713E+01 mv 6 87 64 25 0 + -1 e 1 151 etot 1.3528E+20 mv 6 87 53 124 0 + 4 e 391 115 etot -8.1439E+01 mv 6 87 29 85 0 + 4 e 217 132 etot -8.6568E+01 mv 6 87 102 146 0 + 4 e 399 102 etot -8.5009E+01 mv 6 87 64 123 0 + 4 e 606 99 etot -8.7661E+01 mv 6 87 45 38 0 + -1 e 1 156 etot 1.3528E+20 mv 6 87 53 11 0 + 4 e 310 126 etot -8.5937E+01 mv 6 87 21 25 0 c 21 1.6 0.0 + 4 e 321 125 etot -8.5935E+01 mv 6 87 21 74 0 + 4 e 292 120 etot -8.5261E+01 mv 6 87 29 135 0 + 4 e 322 127 etot -8.8270E+01 mv 6 87 21 152 0 c 59 34.3 0.3 + 4 e 219 135 etot -6.9566E+01 mv 6 87 102 114 0 + 4 e 199 133 etot -8.4820E+01 mv 6 87 102 41 0 + 4 e 504 116 etot -7.8057E+01 mv 6 87 29 2 0 + 4 e 329 128 etot -7.4300E+01 mv 6 87 21 112 0 + 4 e 314 134 etot -8.4713E+01 mv 6 87 102 158 0 + 4 e 694 100 etot -8.7762E+01 mv 6 87 45 154 0 + 4 e 143 158 etot -7.1742E+01 mv 6 87 53 21 0 + 4 e 504 106 etot -6.6417E+01 mv 6 87 64 136 0 + 4 e 143 150 etot -8.7308E+01 mv 6 87 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1.3528E+20 mv 6 87 7 101 0 + 4 e 346 154 etot -8.1052E+01 mv 6 87 53 195 0 + 4 e 258 155 etot -8.4463E+01 mv 6 87 53 52 0 + 4 e 304 167 etot -8.6726E+01 mv 6 87 181 2 0 + 4 e 257 171 etot -7.3528E+01 mv 6 87 65 159 0 + 4 e 241 174 etot -8.6492E+01 mv 6 87 65 193 0 + -1 e 1 196 etot 1.3528E+20 mv 6 87 115 36 0 + 4 e 255 175 etot -7.7420E+01 mv 6 87 65 67 0 + 4 e 387 164 etot -7.5090E+01 mv 6 87 181 185 0 + 4 e 373 147 etot -9.0082E+01 mv 6 87 149 88 0 + 4 e 236 169 etot -7.7165E+01 mv 6 87 181 133 0 + -1 e 1 201 etot 1.3528E+20 mv 2 87 169 -191 0 + 4 e 597 142 etot -8.1155E+01 mv 6 87 149 131 0 + 4 e 425 166 etot -8.1319E+01 mv 6 87 181 63 0 + 4 e 388 168 etot -7.7566E+01 mv 6 87 181 113 0 + 4 e 269 170 etot -8.5059E+01 mv 6 87 181 161 0 + 4 e 382 173 etot -7.7600E+01 mv 6 87 65 72 0 + -1 e 1 207 etot 1.3528E+20 mv 2 87 104 -160 0 + 4 e 130 197 etot -6.5959E+01 mv 6 87 115 59 0 + 4 e 421 141 etot -7.2314E+01 mv 6 87 149 163 0 + -1 e 1 209 etot 1.3528E+20 mv 2 87 104 -77 0 + 4 e 242 188 etot -8.4640E+01 mv 6 87 7 182 0 + 4 e 347 184 etot -8.0596E+01 mv 6 87 7 146 0 + 4 e 273 172 etot -8.8025E+01 mv 6 87 65 189 0 + 4 e 440 177 etot -7.7545E+01 mv 6 87 65 30 0 + 4 e 412 183 etot -8.6971E+01 mv 6 87 7 195 0 + 4 e 359 186 etot -8.4931E+01 mv 6 87 7 187 0 + 4 e 473 160 etot -7.7498E+01 mv 6 87 53 122 0 + 4 e 476 179 etot -7.6974E+01 mv 6 87 65 133 0 + 4 e 380 191 etot -8.3748E+01 mv 6 87 115 13 0 + 4 e 298 195 etot -8.5075E+01 mv 6 87 115 17 0 + 4 e 270 199 etot -8.4807E+01 mv 6 87 115 122 0 + 4 e 521 180 etot -7.2313E+01 mv 6 87 65 68 0 + 4 e 342 194 etot -7.7182E+01 mv 6 87 115 1 0 + 4 e 295 198 etot -8.0148E+01 mv 6 87 115 105 0 + 4 e 425 192 etot -8.3484E+01 mv 6 87 115 116 0 + -1 e 1 226 etot 1.3528E+20 mv 2 87 56 134 0 + 4 e 250 204 etot -8.4516E+01 mv 2 87 169 106 0 + 4 e 556 181 etot -8.5691E+01 mv 6 87 7 45 0 + -1 e 1 229 etot 1.3528E+20 mv 2 87 56 93 0 + 4 e 159 215 etot -8.6125E+01 mv 2 87 43 -58 0 + -1 e 1 231 etot 1.3528E+20 mv 2 87 70 -159 0 + 4 e 484 187 etot -8.5229E+01 mv 6 87 7 51 0 c 154 289.6 0.2 + 4 e 313 205 etot -7.9083E+01 mv 2 87 169 150 0 + 4 e 644 178 etot -8.2552E+01 mv 6 87 65 163 0 + 4 e 578 185 etot -7.5690E+01 mv 6 87 7 128 0 + 4 e 220 217 etot -6.3362E+01 mv 2 87 72 -191 0 + 4 e 380 203 etot -7.9590E+01 mv 2 87 169 133 0 + 4 e 562 189 etot -7.6493E+01 mv 6 87 7 10 0 + 4 e 165 221 etot -7.4301E+01 mv 2 87 131 37 0 + 4 e 226 219 etot -6.7474E+01 mv 2 87 72 -143 0 + 4 e 294 200 etot -8.4237E+01 mv 6 87 115 16 0 + 4 e 283 202 etot -8.1816E+01 mv 2 87 169 -24 0 + 4 e 347 211 etot -8.4984E+01 mv 2 87 43 -146 0 + 4 e 243 206 etot -7.5287E+01 mv 2 87 104 -135 0 + 4 e 131 233 etot -6.4737E+01 mv 2 87 70 117 0 + 4 e 193 223 etot -7.6315E+01 mv 2 87 131 123 0 + 4 e 180 218 etot -8.5597E+01 mv 2 87 72 190 0 + 4 e 308 216 etot -6.9145E+01 mv 2 87 72 -41 0 + 4 e 403 208 etot -9.2542E+01 mv 2 87 104 112 0 + 4 e 442 212 etot -8.0480E+01 mv 2 87 43 -162 0 + 4 e 138 240 etot -8.5319E+01 mv 2 87 118 -137 0 c 118 1.5 0.0 + 4 e 200 234 etot -6.9365E+01 mv 2 87 70 -47 0 + 4 e 157 237 etot -8.5319E+01 mv 2 87 118 85 0 + 4 e 285 214 etot -8.6124E+01 mv 2 87 43 171 0 + 4 e 200 238 etot -8.3872E+01 mv 2 87 118 -148 0 + 4 e 294 232 etot -7.3309E+01 mv 2 87 70 131 0 + 4 e 383 220 etot -7.8841E+01 mv 2 87 72 2 0 + 4 e 244 235 etot -8.5539E+01 mv 2 87 70 198 0 c 70 2.1 0.0 + 4 e 321 228 etot -8.5431E+01 mv 2 87 56 -153 0 + 4 e 232 236 etot -8.5319E+01 mv 2 87 118 115 0 + 4 e 184 241 etot -8.5520E+01 mv 2 87 137 81 0 c 137 2.6 0.0 + 4 e 314 230 etot -7.5861E+01 mv 2 87 56 -32 0 + 4 e 211 244 etot -8.4064E+01 mv 2 87 137 -46 0 + 4 e 164 245 etot -8.5520E+01 mv 2 87 137 152 0 c 137 2.2 0.0 + -1 e 1 265 etot 1.3528E+20 mv 2 87 21 -159 0 + 4 e 588 213 etot -7.6567E+01 mv 2 87 43 -7 0 + 4 e 452 227 etot -7.8643E+01 mv 2 87 56 -194 0 + 4 e 335 239 etot -8.4304E+01 mv 2 87 118 182 0 + 4 e 471 225 etot -8.4340E+01 mv 2 87 131 61 0 + 4 e 193 253 etot -8.5267E+01 mv 2 87 64 24 0 c 64 1.7 0.0 + 4 e 433 210 etot -8.8059E+01 mv 2 87 104 -181 0 + 4 e 195 260 etot -6.8093E+01 mv 2 87 29 51 0 + 4 e 373 247 etot -6.8080E+01 mv 2 87 45 6 0 + 4 e 195 262 etot -8.5937E+01 mv 2 87 21 119 0 c 21 1.4 0.0 + 4 e 212 257 etot -8.5261E+01 mv 2 87 29 72 0 + 4 e 239 263 etot -8.5639E+01 mv 2 87 21 189 0 + -1 e 1 277 etot 1.3528E+20 mv 2 87 53 -195 0 + 4 e 300 254 etot -8.6269E+01 mv 2 87 64 34 0 + 4 e 419 246 etot -8.2752E+01 mv 2 87 45 -116 0 + 4 e 613 224 etot -7.6789E+01 mv 2 87 131 -104 0 + 4 e 142 266 etot -8.5239E+01 mv 2 87 102 -94 0 + 4 e 370 251 etot -7.2028E+01 mv 2 87 64 -20 0 + 4 e 344 259 etot -7.6753E+01 mv 2 87 29 5 0 + 4 e 334 248 etot -7.0433E+01 mv 2 87 45 -192 0 + 4 e 215 269 etot -6.8499E+01 mv 2 87 102 -108 0 + 4 e 711 222 etot -8.2620E+01 mv 2 87 131 195 0 + 4 e 211 268 etot -8.5239E+01 mv 2 87 102 68 0 + 4 e 366 261 etot -7.0766E+01 mv 2 87 21 -58 0 + 4 e 122 272 etot -5.9223E+01 mv 2 87 149 -27 0 + 4 e 255 255 etot -8.5267E+01 mv 2 87 64 37 0 + 4 e 332 264 etot -8.5936E+01 mv 2 87 21 197 0 + 4 e 508 250 etot -8.4617E+01 mv 2 87 45 65 0 + 4 e 156 278 etot -8.5025E+01 mv 2 87 53 185 0 c 53 1.2 0.0 + 4 e 472 252 etot -8.1530E+01 mv 2 87 64 -106 0 + 4 e 221 275 etot -8.5677E+01 mv 2 87 149 109 0 + 4 e 407 243 etot -8.5513E+01 mv 2 87 137 96 0 + 4 e 299 271 etot -7.2581E+01 mv 2 87 149 173 0 + 4 e 200 279 etot -7.3386E+01 mv 2 87 53 -87 0 + 4 e 209 280 etot -8.3748E+01 mv 2 87 53 -98 0 + 4 e 478 256 etot -8.5739E+01 mv 2 87 29 -33 0 c 29 267.9 0.5 + 4 e 290 273 etot -8.0810E+01 mv 2 87 149 177 0 + 4 e 411 267 etot -8.3725E+01 mv 2 87 102 -66 0 + 4 e 157 282 etot -8.1121E+01 mv 2 87 181 116 0 + 4 e 510 258 etot -8.4295E+01 mv 2 87 29 -40 0 + 4 e 226 283 etot -8.5060E+01 mv 2 87 181 -73 0 + 4 e 700 249 etot -8.2150E+01 mv 2 87 45 -115 0 + 4 e 163 293 etot -8.4932E+01 mv 2 87 7 145 0 + 4 e 166 285 etot -8.5060E+01 mv 2 87 181 103 0 + 4 e 496 193 etot -8.4915E+01 mv 6 87 115 179 0 + 4 e 233 289 etot -6.2199E+01 mv 2 87 65 -185 0 + 4 e 477 242 etot -8.0330E+01 mv 2 87 137 93 0 + 4 e 246 287 etot -7.9298E+01 mv 2 87 65 2 0 + 4 e 262 286 etot -7.3718E+01 mv 2 87 65 81 0 + 4 e 166 300 etot -8.4917E+01 mv 2 87 115 155 0 + 4 e 379 281 etot -8.1973E+01 mv 2 87 181 -186 0 + 4 e 439 276 etot -7.7886E+01 mv 2 87 53 108 0 + 4 e 203 302 etot -8.3003E+01 mv 1 87 169 179 0 + 4 e 509 274 etot -6.9030E+01 mv 2 87 149 -163 0 + 4 e 277 296 etot -8.3639E+01 mv 2 87 115 -3 0 + 4 e 247 290 etot -8.4942E+01 mv 2 87 65 195 0 + 4 e 307 294 etot -8.1408E+01 mv 2 87 7 8 0 + 4 e 232 303 etot -8.4516E+01 mv 1 87 169 -13 0 + 4 e 351 295 etot -8.4931E+01 mv 2 87 7 176 0 + 4 e 461 284 etot -7.5911E+01 mv 2 87 181 -90 0 + 4 e 268 306 etot -9.2543E+01 mv 1 87 104 -124 0 + 4 e 268 297 etot -8.3454E+01 mv 2 87 115 -36 0 + 4 e 678 270 etot -7.6848E+01 mv 2 87 102 -105 0 + 4 e 507 288 etot -8.0999E+01 mv 2 87 65 123 0 + 4 e 336 305 etot -8.4674E+01 mv 1 87 169 112 0 + 4 e 416 299 etot -8.4915E+01 mv 2 87 115 186 0 + 4 e 278 311 etot -8.3754E+01 mv 1 87 43 64 0 + 4 e 330 291 etot -8.5071E+01 mv 2 87 7 -186 0 c 7 178.8 0.1 + 4 e 197 312 etot -6.5955E+01 mv 1 87 43 -158 0 + -1 e 1 334 etot 1.3528E+20 mv 1 87 70 -173 0 + 4 e 330 307 etot -9.1489E+01 mv 1 87 104 68 0 + 4 e 215 322 etot -8.5576E+01 mv 1 87 131 184 0 + 4 e 513 298 etot -8.2502E+01 mv 2 87 115 165 0 + 4 e 564 292 etot -8.5408E+01 mv 2 87 7 -200 0 c 154 136.9 0.2 + -1 e 1 339 etot 1.0545E+28 mv 1 87 118 -20 0 + 4 e 306 317 etot -7.4218E+01 mv 1 87 72 -188 0 + 4 e 351 163 etot -8.3318E+01 mv 6 87 181 192 0 + 4 e 505 301 etot -7.7004E+01 mv 1 87 169 -180 0 + 4 e 382 313 etot -8.2859E+01 mv 1 87 43 3 0 + -1 e 1 344 etot 1.3528E+20 mv 1 87 137 8 0 + 4 e 187 325 etot -8.5576E+01 mv 1 87 131 -27 0 + 4 e 362 315 etot -8.6124E+01 mv 1 87 43 -97 0 + 4 e 197 321 etot -7.0281E+01 mv 1 87 131 104 0 + 4 e 137 332 etot -6.2186E+01 mv 1 87 70 101 0 + 4 e 292 320 etot -8.0854E+01 mv 1 87 72 130 0 + 4 e 287 309 etot -9.2542E+01 mv 1 87 104 59 0 + 4 e 187 328 etot -7.2069E+01 mv 1 87 56 127 0 + 4 e 421 314 etot -8.3110E+01 mv 1 87 43 -119 0 + 4 e 346 319 etot -7.8328E+01 mv 1 87 72 -53 0 + 4 e 429 316 etot -7.6002E+01 mv 1 87 72 136 0 + 4 e 343 310 etot -7.9818E+01 mv 1 87 104 72 0 + 4 e 269 326 etot -8.5432E+01 mv 1 87 56 -110 0 c 56 1.4 0.0 + 4 e 379 318 etot -8.2017E+01 mv 1 87 72 92 0 + 4 e 509 308 etot -9.2488E+01 mv 1 87 104 63 0 + 4 e 362 323 etot -8.5575E+01 mv 1 87 131 113 0 + 4 e 152 333 etot -8.4569E+01 mv 1 87 70 158 0 + 4 e 214 336 etot -8.4918E+01 mv 1 87 118 -37 0 + 4 e 234 331 etot -8.5260E+01 mv 1 87 70 78 0 + 4 e 178 338 etot -8.5319E+01 mv 1 87 118 46 0 + -1 e 1 364 etot 1.3528E+20 mv 1 87 21 -196 0 + 4 e 153 345 etot -8.5520E+01 mv 1 87 137 -40 0 c 137 2.1 0.0 + 4 e 161 346 etot -8.5692E+01 mv 1 87 45 128 0 + 4 e 435 304 etot -7.4137E+01 mv 1 87 169 -156 0 + 4 e 193 341 etot -8.5520E+01 mv 1 87 137 30 0 + 4 e 160 350 etot -8.5692E+01 mv 1 87 45 163 0 + 4 e 245 337 etot -8.5319E+01 mv 1 87 118 197 0 + 4 e 328 330 etot -8.4246E+01 mv 1 87 56 -199 0 + 4 e 406 329 etot -7.4494E+01 mv 1 87 56 49 0 + 4 e 213 353 etot -8.5267E+01 mv 1 87 64 -41 0 + 4 e 297 343 etot -8.5519E+01 mv 1 87 137 150 0 + 4 e 188 360 etot -8.5261E+01 mv 1 87 29 140 0 + 4 e 211 358 etot -8.5261E+01 mv 1 87 29 55 0 + 4 e 326 327 etot -8.4995E+01 mv 1 87 56 -7 0 + 4 e 334 347 etot -7.5350E+01 mv 1 87 45 9 0 + 4 e 160 372 etot -6.9998E+01 mv 1 87 149 50 0 + 4 e 298 354 etot -8.4246E+01 mv 1 87 64 61 0 + -1 e 1 381 etot 1.3528E+20 mv 1 87 181 -147 0 + 4 e 268 359 etot -8.5260E+01 mv 1 87 29 44 0 + 4 e 255 348 etot -8.5692E+01 mv 1 87 45 60 0 + 4 e 406 340 etot -7.4953E+01 mv 1 87 118 -151 0 + 4 e 200 356 etot -8.5261E+01 mv 1 87 29 109 0 + 4 e 189 361 etot -8.5937E+01 mv 1 87 21 20 0 + 4 e 285 342 etot -7.2320E+01 mv 1 87 137 -144 0 + 4 e 603 324 etot -7.8823E+01 mv 1 87 131 -197 0 + 4 e 285 357 etot -8.4065E+01 mv 1 87 29 -33 0 + 4 e 227 371 etot -7.9153E+01 mv 1 87 149 -1 0 + 4 e 297 363 etot -8.0463E+01 mv 1 87 21 128 0 + 4 e 274 366 etot -8.2433E+01 mv 1 87 102 40 0 + 4 e 399 352 etot -7.6987E+01 mv 1 87 64 -93 0 + -1 e 1 394 etot 1.3528E+20 mv 1 87 7 -3 0 + 4 e 274 367 etot -8.5239E+01 mv 1 87 102 43 0 + 4 e 226 373 etot -8.4160E+01 mv 1 87 149 -103 0 + 4 e 222 376 etot -8.5024E+01 mv 1 87 53 71 0 + 8 e 164 379 etot -6.3993E+01 mv 1 87 53 -82 0 + 4 e 342 369 etot -8.5091E+01 mv 1 87 102 -58 0 + 4 e 224 377 etot -7.8856E+01 mv 1 87 53 186 0 + 4 e 549 349 etot -8.0153E+01 mv 1 87 45 -43 0 + 4 e 178 378 etot -8.5025E+01 mv 1 87 53 196 0 + 4 e 20 402 etot -9.2543E+01 mv 0 87 104 0 0 c 104 0.0 0.0 + 4 e 271 390 etot -8.4806E+01 mv 1 87 65 -30 0 + 4 e 411 375 etot -8.5675E+01 mv 1 87 149 142 0 + 4 e 291 395 etot -8.3730E+01 mv 1 87 7 -15 0 + 4 e 86 404 etot -8.5597E+01 mv 0 87 72 0 0 c 72 0.3 0.0 + 4 e 446 374 etot -8.2489E+01 mv 1 87 149 45 0 + 4 e 585 355 etot -6.1921E+01 mv 1 87 64 -31 0 + 4 e 254 396 etot -8.4917E+01 mv 1 87 115 73 0 + 4 e 311 380 etot -7.7429E+01 mv 1 87 53 38 0 + 4 e 564 365 etot -8.5935E+01 mv 1 87 21 148 0 + 4 e 286 383 etot -8.3626E+01 mv 1 87 181 -147 0 + 4 e 328 391 etot -7.5844E+01 mv 1 87 7 -102 0 + 4 e 224 385 etot -8.4710E+01 mv 1 87 181 -93 0 + 4 e 244 393 etot -8.4931E+01 mv 1 87 7 64 0 + 4 e 290 382 etot -8.5060E+01 mv 1 87 181 -180 0 + 4 e 120 401 etot -8.4675E+01 mv 0 87 169 0 0 c 169 0.6 0.0 + 4 e 477 370 etot -7.3628E+01 mv 1 87 102 54 0 +## N0 total= 16 close= 9 far= 0 %acc 56.2 +## N1 total= 104 close= 2 far= 0 %acc 1.9 +## N2 total= 100 close= 10 far= 0 %acc 10.0 +## N3 total= 0 close= 0 far= 0 %acc 0.0 +## N4 total= 0 close= 0 far= 0 %acc 0.0 +## N5 total= 0 close= 0 far= 0 %acc 0.0 +## N6 total= 200 close= 10 far= 0 %acc 5.0 +## N7 total= 0 close= 0 far= 0 %acc 0.0 +## N8 total= 0 close= 0 far= 0 %acc 0.0 +## N9 total= 0 close= 0 far= 0 %acc 0.0 +##N10 total= 0 close= 0 far= 0 %acc 0.0 +##N11 total= 0 close= 0 far= 0 %acc 0.0 +##N12 total= 0 close= 0 far= 0 %acc 0.0 +##N13 total= 0 close= 0 far= 0 %acc 0.0 +##N14 total= 0 close= 0 far= 0 %acc 0.0 +##N15 total= 0 close= 0 far= 0 %acc 0.0 +##N16 total= 0 close= 0 far= 0 %acc 0.0 +##N17 total= 0 close= 0 far= 0 %acc 0.0 +##N18 total= 0 close= 0 far= 0 %acc 0.0 + Time for refresh 88 0.34 + make_var : nseed= 20 ntry= 420 + Time for make trial 89 0.05 +Nonsetup time 172.04 sec, Eval/s = 64967.26 +Time for iter 89 1.82 sec, Eval/s = 66565.49 + UPDATING 420 + 4 e 16 405 etot -8.5576E+01 mv 0 87 131 0 0 c 131 0.0 0.0 + 4 e 97 406 etot -8.5432E+01 mv 0 87 56 0 0 c 56 0.6 0.0 + 4 e 161 407 etot -8.5539E+01 mv 0 87 70 0 0 c 70 0.8 0.0 + 4 e 93 408 etot -8.5319E+01 mv 0 87 118 0 0 c 118 0.7 0.0 + 4 e 402 399 etot -7.0045E+01 mv 1 87 115 184 0 + 4 e 129 409 etot -8.5520E+01 mv 0 87 137 0 0 c 137 1.8 0.0 + 4 e 611 392 etot -8.5071E+01 mv 1 87 7 -167 0 + 4 e 30 410 etot -8.5692E+01 mv 0 87 45 0 0 c 45 0.1 0.0 + 4 e 126 411 etot -8.5267E+01 mv 0 87 64 0 0 c 64 1.3 0.0 + 4 e 311 400 etot -8.4916E+01 mv 1 87 115 17 0 + 4 e 53 412 etot -8.5262E+01 mv 0 87 29 0 0 + 4 e 80 413 etot -8.5937E+01 mv 0 87 21 0 0 c 21 0.6 0.0 + 4 e 63 414 etot -8.5239E+01 mv 0 87 102 0 0 c 102 0.2 0.0 + 4 e 20 415 etot -8.5677E+01 mv 0 87 149 0 0 c 149 0.0 0.0 + 4 e 415 397 etot -8.3618E+01 mv 1 87 115 -107 0 + 4 e 90 416 etot -8.5025E+01 mv 0 87 53 0 0 c 53 0.8 0.0 + 4 e 515 389 etot -6.2728E+01 mv 1 87 65 -184 0 + 4 e 10 417 etot -8.5060E+01 mv 0 87 181 0 0 c 181 0.0 0.0 + 4 e 585 398 etot -7.3891E+01 mv 1 87 115 -166 0 + 4 e 18 418 etot -8.4942E+01 mv 0 87 65 0 0 c 65 0.0 0.0 + 4 e 14 419 etot -8.4932E+01 mv 0 87 7 0 0 + 4 e 12 420 etot -8.4917E+01 mv 0 87 115 0 0 c 115 0.0 0.0 + 4 e 667 362 etot -7.4105E+01 mv 1 87 21 89 0 + 4 e 591 387 etot -8.4677E+01 mv 1 87 65 -75 0 + 4 e 491 351 etot -8.5266E+01 mv 1 87 64 -72 0 + -1 e 1 20 etot 1.3528E+20 mv 6 88 59 99 0 + 4 e 421 368 etot -8.5238E+01 mv 1 87 102 -133 0 + 4 e 249 384 etot -7.7966E+01 mv 1 87 181 -99 0 + 4 e 261 386 etot -8.4942E+01 mv 1 87 65 -126 0 + 4 e 569 388 etot -6.8728E+01 mv 1 87 65 171 0 + 4 e 148 403 etot -8.6125E+01 mv 0 87 43 0 0 + 4 e 657 335 etot -7.1110E+01 mv 1 87 70 -118 0 + 4 e 122 27 etot -6.7946E+01 mv 6 88 189 69 0 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351 8 etot -7.1147E+01 mv 6 88 188 110 0 + 4 e 350 11 etot -8.9864E+01 mv 6 88 59 153 0 + 4 e 405 29 etot -6.9022E+01 mv 6 88 189 117 0 + 4 e 418 2 etot -8.4105E+01 mv 6 88 188 111 0 + 4 e 412 23 etot -8.3228E+01 mv 6 88 189 23 0 + 4 e 483 4 etot -8.0820E+01 mv 6 88 188 62 0 + 4 e 421 3 etot -8.0493E+01 mv 6 88 188 165 0 + 4 e 426 22 etot -7.9523E+01 mv 6 88 189 188 0 + 4 e 188 45 etot -7.3688E+01 mv 6 88 154 30 0 + 4 e 239 43 etot -8.5409E+01 mv 6 88 154 89 0 c 154 2.6 0.0 + 4 e 289 44 etot -7.5473E+01 mv 6 88 154 88 0 + 4 e 453 16 etot -7.9024E+01 mv 6 88 59 173 0 + 4 e 497 31 etot -7.7687E+01 mv 6 88 29 165 0 + 4 e 495 21 etot -7.8497E+01 mv 6 88 189 182 0 + 4 e 428 34 etot -8.5740E+01 mv 6 88 29 51 0 c 29 4.2 0.0 + 4 e 359 35 etot -8.5741E+01 mv 6 88 29 127 0 c 29 1.6 0.0 + 4 e 11 68 etot -8.8110E+01 mv 6 88 129 103 0 c 103 0.0 0.0 + -1 e 1 71 etot 1.3528E+20 mv 6 88 123 161 0 + 4 e 255 50 etot -7.7576E+01 mv 6 88 154 83 0 + 4 e 389 46 etot -8.5550E+01 mv 6 88 154 168 0 c 154 142.6 0.1 + 4 e 258 56 etot -8.2760E+01 mv 6 88 50 177 0 + 4 e 329 49 etot -8.0659E+01 mv 6 88 154 179 0 + 4 e 225 53 etot -8.5111E+01 mv 6 88 50 32 0 + 4 e 309 55 etot -7.2479E+01 mv 6 88 50 200 0 + 4 e 152 62 etot -6.4351E+01 mv 6 88 129 176 0 + 4 e 269 52 etot -7.8985E+01 mv 6 88 50 163 0 + 4 e 282 51 etot -7.5278E+01 mv 6 88 50 149 0 + 4 e 110 73 etot -7.3700E+01 mv 6 88 123 105 0 + 4 e 451 37 etot -8.6812E+01 mv 6 88 29 109 0 + -1 e 1 83 etot 1.3528E+20 mv 6 88 77 112 0 + 4 e 207 58 etot -8.0628E+01 mv 6 88 50 52 0 + 4 e 568 41 etot -8.4297E+01 mv 6 88 154 18 0 + 4 e 321 60 etot -8.3854E+01 mv 6 88 50 160 0 + 4 e 270 66 etot -8.4981E+01 mv 6 88 129 4 0 + 4 e 367 42 etot -6.9875E+01 mv 6 88 154 91 0 + 4 e 229 59 etot -8.5111E+01 mv 6 88 50 35 0 + 4 e 301 64 etot -7.9535E+01 mv 6 88 129 147 0 + 4 e 231 69 etot -7.5606E+01 mv 6 88 129 74 0 + 4 e 542 33 etot -7.9759E+01 mv 6 88 29 123 0 + -1 e 1 93 etot 1.3528E+20 mv 6 88 172 184 0 + 4 e 358 54 etot -8.5111E+01 mv 6 88 50 94 0 + 4 e 218 75 etot -7.4903E+01 mv 6 88 123 93 0 + 4 e 432 47 etot -7.8288E+01 mv 6 88 154 72 0 + -1 e 1 97 etot 1.3528E+20 mv 6 88 172 32 0 + 4 e 259 70 etot -7.2361E+01 mv 6 88 129 85 0 + 4 e 242 72 etot -6.8873E+01 mv 6 88 123 32 0 + 4 e 525 38 etot -8.3337E+01 mv 6 88 29 194 0 + 4 e 381 57 etot -8.0923E+01 mv 6 88 50 84 0 + 4 e 343 74 etot -6.9775E+01 mv 6 88 123 192 0 + 4 e 236 77 etot -7.0182E+01 mv 6 88 123 85 0 + 4 e 286 78 etot -8.2784E+01 mv 6 88 123 40 0 + 4 e 529 39 etot -7.2339E+01 mv 6 88 29 39 0 + 4 e 649 48 etot -8.5693E+01 mv 6 88 154 76 0 c 154 159.3 0.1 + 4 e 223 87 etot -7.5170E+01 mv 6 88 77 185 0 + 4 e 247 81 etot -8.4904E+01 mv 6 88 77 27 0 c 77 4.1 0.0 + 4 e 211 92 etot -7.4517E+01 mv 6 88 172 86 0 + 4 e 246 88 etot -7.3461E+01 mv 6 88 77 181 0 + 4 e 271 79 etot -8.3178E+01 mv 6 88 123 132 0 + -1 e 1 112 etot 2.4490E+33 mv 6 88 62 187 0 + 4 e 348 63 etot -8.5690E+01 mv 6 88 129 157 0 + 4 e 330 82 etot -8.3209E+01 mv 6 88 77 95 0 + 4 e 196 95 etot -7.0284E+01 mv 6 88 172 57 0 + 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etot -7.5243E+01 mv 6 88 78 136 0 + 4 e 316 109 etot -8.0788E+01 mv 6 88 78 130 0 + -1 e 1 139 etot 1.3528E+20 mv 6 88 16 1 0 + 4 e 327 98 etot -7.3390E+01 mv 6 88 172 27 0 + 4 e 316 115 etot -7.1225E+01 mv 6 88 62 82 0 + 4 e 699 76 etot -7.8554E+01 mv 6 88 123 165 0 + 4 e 199 114 etot -8.4573E+01 mv 6 88 62 33 0 + 4 e 370 113 etot -8.5901E+01 mv 6 88 62 5 0 + 4 e 425 105 etot -8.4772E+01 mv 6 88 78 115 0 + 4 e 227 125 etot -8.4551E+01 mv 6 88 121 164 0 c 121 4.8 0.0 + 4 e 379 111 etot -8.2944E+01 mv 6 88 62 50 0 + -1 e 1 148 etot 1.3528E+20 mv 6 88 15 142 0 + 4 e 421 107 etot -8.4857E+01 mv 6 88 78 125 0 + 4 e 448 104 etot -8.1556E+01 mv 6 88 78 39 0 + 4 e 414 108 etot -7.9207E+01 mv 6 88 78 25 0 + -1 e 1 152 etot 1.3528E+20 mv 6 88 193 53 0 + -1 e 1 153 etot 1.3528E+20 mv 6 88 193 175 0 + 4 e 137 140 etot -8.3949E+01 mv 6 88 16 60 0 c 60 1.6 0.0 + 4 e 297 106 etot -8.1231E+01 mv 6 88 78 4 0 + 4 e 370 120 etot -8.2944E+01 mv 6 88 62 18 0 + 4 e 319 123 etot -7.2998E+01 mv 6 88 121 184 0 + 4 e 246 133 etot -8.4523E+01 mv 6 88 16 148 0 + 4 e 409 122 etot -7.9232E+01 mv 6 88 121 71 0 + 4 e 330 129 etot -7.9053E+01 mv 6 88 121 37 0 + 4 e 385 101 etot -7.1523E+01 mv 6 88 78 140 0 + 4 e 467 121 etot -8.3746E+01 mv 6 88 121 63 0 + 4 e 207 143 etot -7.1857E+01 mv 6 88 15 161 0 + 4 e 627 80 etot -7.6188E+01 mv 6 88 123 134 0 + 4 e 245 142 etot -7.2016E+01 mv 6 88 15 111 0 + 4 e 460 102 etot -6.8737E+01 mv 6 88 78 97 0 + 4 e 216 145 etot -7.9630E+01 mv 6 88 15 121 0 + 4 e 374 134 etot -8.1521E+01 mv 6 88 16 118 0 + 4 e 472 128 etot -7.8332E+01 mv 6 88 121 189 0 + 4 e 255 146 etot -8.4472E+01 mv 6 88 15 47 0 + 4 e 350 138 etot -7.7091E+01 mv 6 88 16 87 0 + 4 e 207 158 etot -6.9055E+01 mv 6 88 193 2 0 + 4 e 319 124 etot -8.3747E+01 mv 6 88 121 136 0 + 4 e 298 149 etot -6.6904E+01 mv 6 88 15 139 0 + -1 e 1 175 etot 1.3528E+20 mv 6 88 71 4 0 + 4 e 515 126 etot -8.1058E+01 mv 6 88 121 82 0 + 4 e 447 119 etot -7.9741E+01 mv 6 88 62 143 0 + 4 e 448 132 etot -8.2878E+01 mv 6 88 16 151 0 + 4 e 506 130 etot -7.6958E+01 mv 6 88 121 152 0 + 4 e 158 164 etot -8.0662E+01 mv 6 88 83 171 0 + 4 e 378 147 etot -7.8584E+01 mv 6 88 15 139 0 + 4 e 385 150 etot -8.0000E+01 mv 6 88 15 87 0 + 4 e 329 155 etot -9.0648E+01 mv 6 88 193 67 0 + 4 e 138 171 etot -7.2939E+01 mv 6 88 71 46 0 + 4 e 361 154 etot -7.9866E+01 mv 6 88 193 140 0 + 4 e 167 169 etot -6.5039E+01 mv 6 88 83 59 0 + 4 e 266 144 etot -8.1386E+01 mv 6 88 15 46 0 + 4 e 367 157 etot -7.9009E+01 mv 6 88 193 160 0 + 4 e 187 162 etot -8.5091E+01 mv 6 88 83 139 0 + 4 e 366 159 etot -8.0639E+01 mv 6 88 193 28 0 + 4 e 185 165 etot -7.5367E+01 mv 6 88 83 183 0 + 4 e 357 160 etot -8.6492E+01 mv 6 88 193 6 0 + 4 e 308 163 etot -8.3223E+01 mv 6 88 83 138 0 + -1 e 1 194 etot 6.2472E+24 mv 6 88 66 61 0 + 4 e 263 168 etot -8.1836E+01 mv 6 88 83 80 0 + 4 e 629 137 etot -8.6440E+01 mv 6 88 16 38 0 c 16 274.1 1.9 + 4 e 238 172 etot -8.3374E+01 mv 6 88 71 173 0 + 4 e 237 173 etot -8.4208E+01 mv 6 88 71 15 0 + 4 e 389 141 etot 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etot -8.8203E+01 mv 6 88 66 85 0 c 103 52.2 0.1 + 4 e 469 184 etot -7.9822E+01 mv 6 88 63 126 0 + 4 e 421 189 etot -8.4202E+01 mv 6 88 63 117 0 + 4 e 149 211 etot -8.8026E+01 mv 2 88 189 94 0 c 189 1.4 0.0 + -1 e 1 224 etot 1.3528E+20 mv 2 88 154 -173 0 + 4 e 501 183 etot -8.0037E+01 mv 6 88 63 2 0 + 4 e 380 199 etot -7.9888E+01 mv 6 88 66 73 0 + 4 e 430 191 etot -8.9255E+01 mv 6 88 66 8 0 + 4 e 283 205 etot -7.1184E+01 mv 2 88 188 -193 0 + 4 e 284 190 etot -8.3844E+01 mv 6 88 63 100 0 + 4 e 373 201 etot -8.4105E+01 mv 2 88 188 -114 0 + 4 e 185 213 etot -8.8026E+01 mv 2 88 189 -121 0 c 189 1.4 0.0 + 4 e 331 207 etot -7.8936E+01 mv 2 88 59 125 0 + 4 e 195 216 etot -8.5743E+01 mv 2 88 29 71 0 c 29 1.4 0.0 + 4 e 404 202 etot -8.2509E+01 mv 2 88 188 -41 0 + 4 e 460 174 etot -8.3777E+01 mv 6 88 71 125 0 + 4 e 540 196 etot -8.3371E+01 mv 6 88 66 29 0 + 4 e 160 215 etot -7.1859E+01 mv 2 88 189 -79 0 + 4 e 202 222 etot -7.0481E+01 mv 2 88 154 46 0 + 4 e 419 188 etot -8.2990E+01 mv 6 88 63 176 0 + 4 e 239 217 etot -8.5742E+01 mv 2 88 29 61 0 + 8 e 41 237 etot -6.4000E+01 mv 2 88 123 37 0 + 4 e 203 225 etot -7.2047E+01 mv 2 88 154 -195 0 + 4 e 483 204 etot -7.6427E+01 mv 2 88 188 78 0 + 4 e 226 214 etot -8.6556E+01 mv 2 88 189 19 0 + 4 e 278 218 etot -8.4292E+01 mv 2 88 29 58 0 + 4 e 253 220 etot -8.5742E+01 mv 2 88 29 -146 0 + 4 e 588 197 etot -8.6020E+01 mv 6 88 66 95 0 + 4 e 464 208 etot -8.6764E+01 mv 2 88 59 -30 0 + 4 e 406 210 etot -8.8269E+01 mv 2 88 59 -181 0 + 4 e 298 219 etot -7.3693E+01 mv 2 88 29 106 0 + 4 e 114 235 etot -8.4982E+01 mv 2 88 129 185 0 c 129 0.6 0.0 + 4 e 296 223 etot -8.5873E+01 mv 2 88 154 -185 0 c 154 80.5 0.2 + -1 e 1 253 etot 1.3528E+20 mv 2 88 78 54 0 + 4 e 380 203 etot -7.9577E+01 mv 2 88 188 39 0 + 4 e 221 231 etot -7.5200E+01 mv 2 88 129 -97 0 + 4 e 279 226 etot -8.5110E+01 mv 2 88 50 -72 0 + -1 e 1 257 etot 1.3528E+20 mv 2 88 62 -166 0 + 4 e 150 239 etot -6.9516E+01 mv 2 88 123 103 0 + 4 e 152 244 etot -7.1464E+01 mv 2 88 77 138 0 + 4 e 346 229 etot -8.3981E+01 mv 2 88 50 138 0 + 4 e 260 234 etot -8.4981E+01 mv 2 88 129 28 0 + 4 e 177 246 etot -8.3359E+01 mv 2 88 172 -87 0 + 4 e 373 228 etot -8.3198E+01 mv 2 88 50 184 0 + 4 e 564 192 etot -7.6474E+01 mv 6 88 66 172 0 + 4 e 572 212 etot -7.8751E+01 mv 2 88 189 -21 0 + 4 e 425 227 etot -7.9397E+01 mv 2 88 50 187 0 + 4 e 332 221 etot -8.2339E+01 mv 2 88 154 145 0 + 4 e 237 249 etot -8.4769E+01 mv 2 88 172 174 0 + 4 e 260 247 etot -7.8203E+01 mv 2 88 172 -128 0 + 4 e 227 252 etot -7.6278E+01 mv 2 88 78 11 0 + 4 e 395 233 etot -8.3883E+01 mv 2 88 129 135 0 + 4 e 441 232 etot -8.2161E+01 mv 2 88 129 73 0 + 4 e 695 209 etot -7.5652E+01 mv 2 88 59 -53 0 + 4 e 287 251 etot -7.6584E+01 mv 2 88 78 193 0 + 4 e 300 248 etot -8.0518E+01 mv 2 88 172 -2 0 + 4 e 304 250 etot -8.4813E+01 mv 2 88 172 179 0 + 4 e 160 264 etot -8.4551E+01 mv 2 88 121 50 0 c 121 2.5 0.0 + -1 e 1 278 etot 1.3528E+20 mv 2 88 193 161 0 + 4 e 284 259 etot -7.1128E+01 mv 2 88 62 -105 0 + 4 e 132 265 etot -8.4551E+01 mv 2 88 121 45 0 c 121 0.6 0.0 + 4 e 433 242 etot -6.5823E+01 mv 2 88 77 -143 0 + 4 e 401 230 etot -8.5110E+01 mv 2 88 50 110 0 + 4 e 443 241 etot -8.0570E+01 mv 2 88 77 -96 0 + 4 e 338 238 etot -7.4499E+01 mv 2 88 123 -91 0 + 4 e 319 240 etot -8.5254E+01 mv 2 88 123 94 0 + 4 e 367 254 etot -7.6390E+01 mv 2 88 78 -16 0 + -1 e 1 287 etot 1.3528E+20 mv 2 88 71 -154 0 + 4 e 357 258 etot -7.7057E+01 mv 2 88 62 -79 0 + -1 e 1 289 etot 1.3528E+20 mv 2 88 71 -15 0 + 4 e 207 267 etot -7.2627E+01 mv 2 88 16 95 0 + 4 e 264 255 etot -8.0535E+01 mv 2 88 78 -93 0 + 4 e 216 266 etot -7.0664E+01 mv 2 88 16 34 0 + 4 e 399 256 etot -8.2944E+01 mv 2 88 62 -134 0 + 4 e 198 270 etot -8.3407E+01 mv 2 88 16 -58 0 + 8 e 47 284 etot -6.3996E+01 mv 2 88 83 -29 0 + 4 e 344 260 etot -8.4573E+01 mv 2 88 62 -190 0 + -1 e 1 297 etot 1.3528E+20 mv 2 88 66 119 0 + 4 e 493 243 etot -7.7441E+01 mv 2 88 77 -44 0 + 4 e 341 245 etot -7.7349E+01 mv 2 88 77 42 0 + 4 e 223 271 etot -8.4472E+01 mv 2 88 15 139 0 + 4 e 377 262 etot -8.6175E+01 mv 2 88 121 130 0 + 4 e 120 290 etot -8.4825E+01 mv 2 88 71 113 0 + -1 e 1 303 etot 1.3528E+20 mv 1 88 188 -150 0 + 4 e 240 276 etot -8.7921E+01 mv 2 88 193 138 0 + 4 e 396 263 etot -7.4060E+01 mv 2 88 121 -92 0 + -1 e 1 306 etot 1.3528E+20 mv 1 88 59 -138 0 + 4 e 314 273 etot -7.3701E+01 mv 2 88 15 -85 0 + 4 e 236 268 etot -7.0880E+01 mv 2 88 16 -134 0 + 4 e 322 272 etot -7.5331E+01 mv 2 88 15 89 0 + 4 e 336 274 etot -7.2820E+01 mv 2 88 15 104 0 + 4 e 181 295 etot -8.4781E+01 mv 2 88 63 169 0 + 4 e 188 283 etot -7.5026E+01 mv 2 88 83 89 0 + -1 e 1 313 etot 1.3528E+20 mv 1 88 189 -32 0 + 4 e 408 275 etot -7.9318E+01 mv 2 88 15 -188 0 + 4 e 273 294 etot -7.1422E+01 mv 2 88 63 26 0 + 4 e 324 282 etot -8.3744E+01 mv 2 88 83 131 0 + 4 e 575 236 etot -7.4300E+01 mv 2 88 123 58 0 + 4 e 393 279 etot -6.3377E+01 mv 2 88 193 -94 0 + 4 e 253 298 etot -8.4467E+01 mv 2 88 66 95 0 + 4 e 219 285 etot -8.3996E+01 mv 2 88 83 -36 0 + 4 e 245 281 etot -8.5091E+01 mv 2 88 83 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etot -8.3771E+01 mv 1 88 77 -96 0 + 4 e 274 338 etot -8.5261E+01 mv 1 88 123 40 0 c 123 3.3 0.0 + 4 e 173 346 etot -8.4814E+01 mv 1 88 172 -83 0 + 4 e 341 322 etot -7.1185E+01 mv 1 88 154 -125 0 + 4 e 126 355 etot -6.7980E+01 mv 1 88 78 99 0 + 4 e 551 317 etot -7.5832E+01 mv 1 88 29 122 0 + 4 e 139 353 etot -6.2577E+01 mv 1 88 78 -23 0 + 4 e 344 337 etot -7.9105E+01 mv 1 88 123 149 0 + 4 e 537 300 etot -8.0989E+01 mv 2 88 66 10 0 + 4 e 212 349 etot -8.4814E+01 mv 1 88 172 185 0 + 4 e 221 351 etot -8.4702E+01 mv 1 88 78 69 0 + 4 e 445 331 etot -8.2030E+01 mv 1 88 129 -79 0 + 4 e 145 362 etot -6.2302E+01 mv 1 88 121 122 0 + 4 e 192 352 etot -8.4702E+01 mv 1 88 78 -53 0 + 4 e 145 361 etot -8.4551E+01 mv 1 88 121 -180 0 + 4 e 332 342 etot -8.4904E+01 mv 1 88 77 92 0 c 77 2.3 0.0 + 4 e 259 350 etot -8.4814E+01 mv 1 88 172 -158 0 + 4 e 403 339 etot -7.3680E+01 mv 1 88 123 -106 0 + 4 e 394 340 etot -8.5254E+01 mv 1 88 123 -109 0 + 4 e 526 329 etot -8.5108E+01 mv 1 88 50 155 0 + 4 e 212 364 etot -8.3113E+01 mv 1 88 121 42 0 + 4 e 273 360 etot -7.1199E+01 mv 1 88 62 56 0 + 4 e 433 343 etot -8.4904E+01 mv 1 88 77 35 0 + 4 e 160 373 etot -8.4472E+01 mv 1 88 15 -28 0 + 4 e 236 365 etot -8.4551E+01 mv 1 88 121 185 0 + 4 e 303 347 etot -8.4470E+01 mv 1 88 172 184 0 + 4 e 181 374 etot -8.4472E+01 mv 1 88 15 63 0 + 4 e 203 363 etot -8.4551E+01 mv 1 88 121 -153 0 + 4 e 138 383 etot -7.1588E+01 mv 1 88 83 -166 0 + 4 e 318 345 etot -8.4903E+01 mv 1 88 77 -37 0 + 4 e 152 381 etot -8.5091E+01 mv 1 88 83 98 0 + 4 e 238 378 etot -8.7921E+01 mv 1 88 193 90 0 + 4 e 248 376 etot -8.7921E+01 mv 1 88 193 151 0 + 4 e 499 348 etot -8.4813E+01 mv 1 88 172 -158 0 + 4 e 488 334 etot -8.2604E+01 mv 1 88 129 -83 0 + 4 e 447 356 etot -7.3570E+01 mv 1 88 62 161 0 + 4 e 280 379 etot -7.7738E+01 mv 1 88 193 55 0 + 4 e 347 369 etot -8.0542E+01 mv 1 88 16 62 0 + 4 e 398 366 etot -7.0402E+01 mv 1 88 16 102 0 + 4 e 353 371 etot -8.1194E+01 mv 1 88 15 175 0 + 4 e 616 344 etot -8.4771E+01 mv 1 88 77 47 0 + 4 e 199 385 etot -8.5091E+01 mv 1 88 83 185 0 + 4 e 174 388 etot -8.3359E+01 mv 1 88 71 -90 0 + 4 e 10 406 etot -8.5111E+01 mv 0 88 50 0 0 c 50 0.0 0.0 + 4 e 234 384 etot -8.2361E+01 mv 1 88 83 34 0 + 4 e 403 368 etot -8.4522E+01 mv 1 88 16 177 0 + 4 e 352 377 etot -8.6262E+01 mv 1 88 193 179 0 + 4 e 68 401 etot -8.4107E+01 mv 0 88 188 0 0 c 188 0.1 0.0 + 4 e 43 407 etot -8.4982E+01 mv 0 88 129 0 0 c 129 0.4 0.0 + 4 e 371 358 etot -8.0048E+01 mv 1 88 62 2 0 + 4 e 140 391 etot -8.4781E+01 mv 1 88 63 139 0 c 63 1.1 0.0 + 4 e 41 410 etot -8.4814E+01 mv 0 88 172 0 0 c 172 0.1 0.0 + 4 e 10 415 etot -8.4472E+01 mv 0 88 15 0 0 c 15 0.0 0.0 + 4 e 96 403 etot -8.8026E+01 mv 0 88 189 0 0 c 189 1.4 0.0 + 4 e 49 411 etot -8.4702E+01 mv 0 88 78 0 0 c 78 0.1 0.0 + 4 e 2 418 etot -8.4825E+01 mv 0 88 71 0 0 + 4 e 18 414 etot -8.4523E+01 mv 0 88 16 0 0 +## N0 total= 26 close= 21 far= 0 %acc 80.8 +## N1 total= 94 close= 3 far= 0 %acc 3.2 +## N2 total= 100 close= 7 far= 0 %acc 7.0 +## N3 total= 0 close= 0 far= 0 %acc 0.0 +## N4 total= 0 close= 0 far= 0 %acc 0.0 +## N5 total= 0 close= 0 far= 0 %acc 0.0 +## N6 total= 200 close= 12 far= 0 %acc 6.0 +## N7 total= 0 close= 0 far= 0 %acc 0.0 +## N8 total= 0 close= 0 far= 0 %acc 0.0 +## N9 total= 0 close= 0 far= 0 %acc 0.0 +##N10 total= 0 close= 0 far= 0 %acc 0.0 +##N11 total= 0 close= 0 far= 0 %acc 0.0 +##N12 total= 0 close= 0 far= 0 %acc 0.0 +##N13 total= 0 close= 0 far= 0 %acc 0.0 +##N14 total= 0 close= 0 far= 0 %acc 0.0 +##N15 total= 0 close= 0 far= 0 %acc 0.0 +##N16 total= 0 close= 0 far= 0 %acc 0.0 +##N17 total= 0 close= 0 far= 0 %acc 0.0 +##N18 total= 0 close= 0 far= 0 %acc 0.0 + Time for refresh 89 0.29 + make_var : nseed= 20 ntry= 420 + Time for make trial 90 0.15 +Nonsetup time 173.91 sec, Eval/s = 64974.45 +Time for iter 90 1.88 sec, Eval/s = 65632.33 + UPDATING 420 + 4 e 18 416 etot -8.7921E+01 mv 0 88 193 0 0 c 193 0.0 0.0 + 4 e 518 387 etot -7.6680E+01 mv 1 88 71 29 0 + 4 e 128 405 etot -8.5410E+01 mv 0 88 154 0 0 + 4 e 571 399 etot -7.8793E+01 mv 1 88 66 -28 0 + 4 e 549 380 etot -8.7497E+01 mv 1 88 193 -134 0 + 4 e 645 370 etot -8.6439E+01 mv 1 88 16 -41 0 + 4 e 595 396 etot -7.9087E+01 mv 1 88 66 197 0 + 4 e 325 390 etot -7.4401E+01 mv 1 88 71 -153 0 + 4 e 9 417 etot -8.5091E+01 mv 0 88 83 0 0 c 83 0.0 0.0 + 4 e 384 382 etot -7.3975E+01 mv 1 88 83 -32 0 + 4 e 118 402 etot -8.8270E+01 mv 0 88 59 0 0 c 59 1.8 0.0 + 4 e 297 394 etot -8.2282E+01 mv 1 88 63 119 0 + 4 e 61 412 etot -8.4574E+01 mv 0 88 62 0 0 c 62 0.2 0.0 + 4 e 168 404 etot -8.5743E+01 mv 0 88 29 0 0 + 4 e 643 375 etot -8.1771E+01 mv 1 88 15 -166 0 + 4 e 126 409 etot -8.4904E+01 mv 0 88 77 0 0 c 77 0.9 0.0 + 4 e 570 400 etot -7.8219E+01 mv 1 88 66 6 0 + 4 e 498 386 etot -8.4822E+01 mv 1 88 71 101 0 + 4 e 229 397 etot -7.7176E+01 mv 1 88 66 133 0 + 4 e 249 392 etot -8.4780E+01 mv 1 88 63 183 0 + 4 e 331 395 etot -8.4780E+01 mv 1 88 63 -61 0 + -1 e 1 12 etot 1.3528E+20 mv 6 89 103 67 0 + -1 e 1 13 etot 1.3528E+20 mv 6 89 103 27 0 + 4 e 83 419 etot -8.4781E+01 mv 0 88 63 0 0 c 63 0.6 0.0 + 4 e 157 408 etot -8.5262E+01 mv 0 88 123 0 0 c 123 1.4 0.0 + 4 e 76 420 etot -8.4467E+01 mv 0 88 66 0 0 c 66 0.2 0.0 + 4 e 102 413 etot -8.4551E+01 mv 0 88 121 0 0 c 121 0.7 0.0 + 4 e 402 393 etot -7.7785E+01 mv 1 88 63 -71 0 + 4 e 574 336 etot -8.5260E+01 mv 1 88 123 11 0 + 4 e 536 398 etot -8.1689E+01 mv 1 88 66 -198 0 + 4 e 405 367 etot -7.6749E+01 mv 1 88 16 43 0 + 4 e 316 372 etot -8.4146E+01 mv 1 88 15 134 0 + 4 e 345 389 etot -8.1756E+01 mv 1 88 71 -129 0 + -1 e 1 29 etot 1.3528E+20 mv 6 89 43 55 0 + -1 e 1 33 etot 1.3528E+20 mv 6 89 16 140 0 + -1 e 1 19 etot 1.3528E+20 mv 6 89 103 15 0 + 4 e 137 1 etot -6.5671E+01 mv 6 89 110 135 0 + 4 e 196 23 etot -7.5692E+01 mv 6 89 43 187 0 + 4 e 204 9 etot -8.4745E+01 mv 6 89 110 161 0 + 4 e 233 22 etot -7.4549E+01 mv 6 89 43 50 0 + 4 e 271 21 etot -7.3896E+01 mv 6 89 43 39 0 + 4 e 276 15 etot -8.8203E+01 mv 6 89 103 191 0 + 4 e 291 25 etot -8.5675E+01 mv 6 89 43 164 0 + 4 e 282 8 etot -8.3453E+01 mv 6 89 110 11 0 + -1 e 1 43 etot 1.3528E+20 mv 6 89 96 187 0 + 4 e 303 20 etot -7.2374E+01 mv 6 89 103 83 0 + 4 e 340 7 etot -8.2981E+01 mv 6 89 110 193 0 + 4 e 284 27 etot -7.9285E+01 mv 6 89 43 146 0 + 4 e 113 39 etot -6.5581E+01 mv 6 89 16 118 0 + 4 e 333 18 etot -8.1016E+01 mv 6 89 103 185 0 + 4 e 388 5 etot -8.2829E+01 mv 6 89 110 44 0 + 4 e 340 17 etot -8.7064E+01 mv 6 89 103 192 0 + 4 e 350 32 etot -8.0581E+01 mv 6 89 16 78 0 + -1 e 1 53 etot 1.3528E+20 mv 6 89 154 37 0 + 4 e 357 14 etot -7.4958E+01 mv 6 89 103 54 0 + 4 e 351 3 etot -8.2554E+01 mv 6 89 110 100 0 + 4 e 364 10 etot -8.0095E+01 mv 6 89 110 38 0 + 4 e 343 36 etot -8.2370E+01 mv 6 89 16 169 0 + 4 e 448 4 etot -7.9045E+01 mv 6 89 110 72 0 + 4 e 399 30 etot -8.4286E+01 mv 6 89 43 129 0 + 4 e 485 6 etot -8.3367E+01 mv 6 89 110 132 0 + 4 e 134 44 etot -6.3045E+01 mv 6 89 96 70 0 + -1 e 1 62 etot 1.3528E+20 mv 6 89 136 173 0 + 4 e 220 26 etot -7.9544E+01 mv 6 89 43 75 0 + 8 e 27 61 etot -6.3988E+01 mv 6 89 136 189 0 + 4 e 439 31 etot -8.0241E+01 mv 6 89 16 164 0 + -1 e 1 66 etot 1.3528E+20 mv 6 89 136 53 0 + -1 e 1 67 etot 1.3528E+20 mv 6 89 136 17 0 + 4 e 424 16 etot -7.9336E+01 mv 6 89 103 109 0 + 4 e 422 28 etot -7.8751E+01 mv 6 89 43 193 0 + 4 e 124 50 etot -8.6175E+01 mv 6 89 96 179 0 + 4 e 2 71 etot -9.0746E+01 mv 6 89 194 3 0 + 4 e 262 47 etot -6.9511E+01 mv 6 89 96 43 0 + 4 e 478 24 etot -8.1435E+01 mv 6 89 43 186 0 + 4 e 179 56 etot -7.5204E+01 mv 6 89 154 147 0 + 4 e 307 38 etot -8.7771E+01 mv 6 89 16 46 0 + 4 e 228 48 etot -7.7662E+01 mv 6 89 96 16 0 + 4 e 225 55 etot -7.5474E+01 mv 6 89 154 98 0 + -1 e 1 78 etot 1.3528E+20 mv 6 89 194 174 0 + 4 e 294 42 etot -7.8187E+01 mv 6 89 96 175 0 + 4 e 355 40 etot -8.6442E+01 mv 6 89 16 185 0 c 16 3.9 0.0 + 4 e 613 2 etot -8.4141E+01 mv 6 89 110 82 0 + 4 e 335 59 etot -8.5873E+01 mv 6 89 154 101 0 + 4 e 527 37 etot -8.3794E+01 mv 6 89 16 74 0 f 155 423.5 0.7 + 4 e 142 76 etot -8.0220E+01 mv 6 89 194 88 0 + 4 e 231 73 etot -8.6155E+01 mv 6 89 194 180 0 + 4 e 283 52 etot -8.6411E+01 mv 6 89 154 134 0 + 4 e 647 11 etot -8.7798E+01 mv 6 89 103 47 0 + -1 e 1 88 etot 1.3528E+20 mv 6 89 177 67 0 + 4 e 309 54 etot -8.6055E+01 mv 6 89 154 14 0 + 4 e 428 41 etot -8.1362E+01 mv 6 89 96 92 0 + 4 e 247 75 etot -8.4390E+01 mv 6 89 194 86 0 + 4 e 697 35 etot -8.1461E+01 mv 6 89 16 54 0 + -1 e 1 93 etot 1.3528E+20 mv 6 89 138 91 0 + 4 e 509 51 etot -8.5446E+01 mv 6 89 154 140 0 + -1 e 1 95 etot 1.3528E+20 mv 6 89 138 112 0 + 4 e 434 49 etot -8.9010E+01 mv 6 89 96 110 0 + 4 e 329 58 etot -8.5503E+01 mv 6 89 154 153 0 + 4 e 502 45 etot -7.1961E+01 mv 6 89 96 171 0 + 4 e 176 83 etot -8.4060E+01 mv 6 89 177 15 0 + 4 e 246 79 etot -8.4713E+01 mv 6 89 194 82 0 + 4 e 358 63 etot -8.5200E+01 mv 6 89 136 174 0 + 4 e 521 46 etot -8.1081E+01 mv 6 89 96 6 0 + 4 e 479 65 etot -8.4431E+01 mv 6 89 136 91 0 + 4 e 282 81 etot -8.3938E+01 mv 6 89 177 55 0 c 9 1.4 0.0 + 4 e 460 57 etot -8.3790E+01 mv 6 89 154 110 0 + 4 e 347 69 etot -7.4751E+01 mv 6 89 136 95 0 + 4 e 376 74 etot -8.0610E+01 mv 6 89 194 52 0 + 4 e 383 60 etot -7.8826E+01 mv 6 89 154 158 0 + 4 e 324 80 etot -8.3904E+01 mv 6 89 194 99 0 + 4 e 398 34 etot -7.6045E+01 mv 6 89 16 40 0 + 4 e 332 82 etot -8.6168E+01 mv 6 89 177 130 0 + 4 e 246 86 etot -8.5740E+01 mv 6 89 177 12 0 + 4 e 266 85 etot -8.9261E+01 mv 6 89 177 190 0 + 4 e 386 72 etot -7.5192E+01 mv 6 89 194 93 0 + 4 e 378 68 etot -8.3041E+01 mv 6 89 136 19 0 + 4 e 51 113 etot -8.9248E+01 mv 6 89 191 86 0 c 86 0.1 0.0 + 4 e 291 89 etot -7.6182E+01 mv 6 89 177 182 0 + 4 e 164 101 etot -8.0629E+01 mv 6 89 119 133 0 + 4 e 192 90 etot -8.5740E+01 mv 6 89 177 181 0 + 4 e 247 96 etot -8.1882E+01 mv 6 89 138 189 0 + 4 e 441 84 etot -8.2098E+01 mv 6 89 177 130 0 + 4 e 395 91 etot -7.3872E+01 mv 6 89 138 62 0 + 4 e 348 77 etot -6.8458E+01 mv 6 89 194 54 0 + 4 e 435 70 etot -7.4072E+01 mv 6 89 136 180 0 + 4 e 269 104 etot -8.6369E+01 mv 6 89 119 174 0 + 4 e 280 106 etot -8.7490E+01 mv 6 89 119 56 0 c 119 14.2 0.5 + 4 e 430 92 etot -8.0250E+01 mv 6 89 138 137 0 + 4 e 236 114 etot -8.7820E+01 mv 6 89 191 189 0 + 4 e 162 121 etot -6.6415E+01 mv 6 89 99 108 0 + 4 e 19 127 etot -8.4358E+01 mv 6 89 99 138 0 c 138 0.0 0.0 + -1 e 1 131 etot 1.3528E+20 mv 6 89 146 127 0 + -1 e 1 132 etot 1.3528E+20 mv 6 89 146 184 0 + 4 e 297 94 etot -7.8279E+01 mv 6 89 138 139 0 + 4 e 414 97 etot -7.8854E+01 mv 6 89 138 111 0 + -1 e 1 135 etot 1.8080E+22 mv 6 89 146 181 0 + 4 e 277 110 etot -8.8037E+01 mv 6 89 119 40 0 c 119 293.2 0.5 + -1 e 1 137 etot 1.3528E+20 mv 6 89 146 46 0 + 4 e 416 98 etot -8.0973E+01 mv 6 89 138 153 0 + 4 e 365 103 etot -8.7124E+01 mv 6 89 119 31 0 + 4 e 325 108 etot -8.7736E+01 mv 6 89 119 168 0 + 4 e 334 107 etot -9.0781E+01 mv 6 89 119 154 0 + 4 e 304 112 etot -8.7603E+01 mv 6 89 191 183 0 + 4 e 228 109 etot -8.3379E+01 mv 6 89 119 176 0 + 4 e 370 105 etot -8.3285E+01 mv 6 89 119 92 0 + -1 e 1 145 etot 1.2065E+34 mv 6 89 158 86 0 + 4 e 470 99 etot -7.6835E+01 mv 6 89 138 80 0 + -1 e 1 147 etot 1.3528E+20 mv 6 89 158 64 0 + 4 e 279 117 etot -7.7326E+01 mv 6 89 191 61 0 + 4 e 184 123 etot -6.8219E+01 mv 6 89 99 46 0 + -1 e 1 150 etot 1.3528E+20 mv 6 89 158 90 0 + 4 e 583 87 etot -8.4204E+01 mv 6 89 177 149 0 + 4 e 320 64 etot -8.4057E+01 mv 6 89 136 134 0 + 4 e 505 102 etot -8.4926E+01 mv 6 89 119 33 0 f 187 377.7 1.8 + 4 e 552 100 etot -7.5440E+01 mv 6 89 138 178 0 + 4 e 424 118 etot -8.1211E+01 mv 6 89 191 17 0 + 4 e 220 130 etot -8.6080E+01 mv 6 89 99 155 0 + 4 e 225 136 etot -7.6350E+01 mv 6 89 146 19 0 + 4 e 180 124 etot -8.5092E+01 mv 6 89 99 113 0 + 4 e 252 133 etot -7.2219E+01 mv 6 89 146 7 0 + -1 e 1 160 etot 1.3528E+20 mv 6 89 178 4 0 + 4 e 137 152 etot -6.1972E+01 mv 6 89 178 31 0 + 4 e 191 148 etot -8.3970E+01 mv 6 89 158 186 0 + -1 e 1 163 etot 1.3528E+20 mv 6 89 127 33 0 + 4 e 283 128 etot -8.0230E+01 mv 6 89 99 9 0 + 4 e 225 146 etot -7.9272E+01 mv 6 89 158 82 0 + 4 e 382 122 etot -8.2782E+01 mv 6 89 99 177 0 + 4 e 501 119 etot -8.7118E+01 mv 6 89 191 47 0 + 4 e 292 138 etot -8.1554E+01 mv 6 89 146 72 0 + 4 e 358 120 etot -8.4104E+01 mv 6 89 191 172 0 + -1 e 1 170 etot 1.3528E+20 mv 6 89 127 49 0 + -1 e 1 171 etot 1.3528E+20 mv 6 89 89 36 0 + 4 e 349 129 etot -8.4326E+01 mv 6 89 99 16 0 + 4 e 322 139 etot -8.5430E+01 mv 6 89 146 70 0 + 4 e 2 174 etot -8.7008E+01 mv 6 89 89 90 0 + 4 e 273 149 etot -7.6950E+01 mv 6 89 158 2 0 + 4 e 331 140 etot -8.4339E+01 mv 6 89 146 5 0 + 4 e 307 143 etot -8.0955E+01 mv 6 89 158 200 0 + 4 e 626 115 etot -8.1246E+01 mv 6 89 191 174 0 + 4 e 427 116 etot -8.1146E+01 mv 6 89 191 42 0 + 4 e 429 126 etot -8.4977E+01 mv 6 89 99 21 0 + 4 e 261 134 etot -8.4339E+01 mv 6 89 146 61 0 + 4 e 304 125 etot -8.1375E+01 mv 6 89 99 155 0 + 4 e 191 157 etot -8.4291E+01 mv 6 89 178 28 0 + 4 e 250 144 etot -7.8179E+01 mv 6 89 158 87 0 + 4 e 422 141 etot -8.1223E+01 mv 6 89 158 109 0 + 4 e 148 175 etot -6.3058E+01 mv 6 89 89 119 0 + 4 e 190 167 etot -8.4718E+01 mv 6 89 127 94 0 + 4 e 444 142 etot -8.1245E+01 mv 6 89 158 144 0 + 4 e 297 156 etot -7.0420E+01 mv 6 89 178 164 0 + 4 e 168 176 etot -6.8267E+01 mv 6 89 89 126 0 + 4 e 264 162 etot -8.3723E+01 mv 6 89 127 74 0 + 4 e 257 165 etot -8.6429E+01 mv 6 89 127 176 0 c 176 48.1 0.2 + -1 e 1 192 etot 1.1072E+22 mv 6 89 94 162 0 + 4 e 237 168 etot -8.1995E+01 mv 6 89 127 40 0 + 4 e 320 164 etot -8.2998E+01 mv 6 89 127 140 0 + 4 e 413 111 etot -7.7201E+01 mv 6 89 191 163 0 + 4 e 242 179 etot -7.9017E+01 mv 6 89 89 30 0 + 4 e 319 169 etot -8.1292E+01 mv 6 89 127 44 0 + 4 e 431 158 etot -7.8203E+01 mv 6 89 178 163 0 + 4 e 138 190 etot -7.2198E+01 mv 6 89 18 23 0 + -1 e 1 200 etot 1.3528E+20 mv 6 89 94 179 0 + 4 e 144 194 etot -8.4718E+01 mv 6 89 94 90 0 + 4 e 339 173 etot -8.5507E+01 mv 6 89 89 68 0 c 56 42.3 0.1 + 4 e 203 188 etot -7.6804E+01 mv 6 89 18 150 0 + 4 e 414 166 etot -8.4693E+01 mv 6 89 127 86 0 + 4 e 528 155 etot -7.5712E+01 mv 6 89 178 162 0 + 4 e 331 181 etot -7.8322E+01 mv 6 89 18 183 0 + 4 e 271 172 etot -7.5510E+01 mv 6 89 89 70 0 + 4 e 648 151 etot -8.1353E+01 mv 6 89 178 7 0 + 4 e 504 161 etot -8.3629E+01 mv 6 89 127 3 0 + 4 e 389 177 etot -8.4214E+01 mv 6 89 89 166 0 + 4 e 238 191 etot -8.4717E+01 mv 6 89 94 135 0 + 4 e 398 153 etot -8.3100E+01 mv 6 89 178 78 0 + 4 e 379 184 etot -8.4519E+01 mv 6 89 18 3 0 + 4 e 261 193 etot -8.8086E+01 mv 6 89 94 134 0 + 4 e 342 186 etot -8.1300E+01 mv 6 89 18 16 0 + 4 e 431 178 etot -7.0056E+01 mv 6 89 89 156 0 + 4 e 305 180 etot -7.7553E+01 mv 6 89 89 141 0 + 4 e 166 201 etot -8.4830E+01 mv 2 89 110 -197 0 + 4 e 131 206 etot -8.8203E+01 mv 2 89 103 186 0 c 103 1.2 0.0 + 4 e 135 208 etot -8.8203E+01 mv 2 89 103 148 0 c 103 1.0 0.0 + -1 e 1 222 etot 1.3528E+20 mv 2 89 96 -45 0 + 4 e 204 202 etot -8.1356E+01 mv 2 89 110 -174 0 + -1 e 1 224 etot 1.3528E+20 mv 2 89 96 -22 0 + 4 e 386 187 etot -8.0078E+01 mv 6 89 18 109 0 + -1 e 1 226 etot 1.3528E+20 mv 2 89 154 -72 0 + 4 e 261 198 etot -8.8086E+01 mv 6 89 94 101 0 + 4 e 306 196 etot -7.1097E+01 mv 6 89 94 197 0 + 4 e 766 154 etot -7.9973E+01 mv 6 89 178 3 0 + 4 e 160 210 etot -8.8203E+01 mv 2 89 103 152 0 + 4 e 342 185 etot -8.9074E+01 mv 6 89 18 161 0 + 4 e 159 213 etot -7.4163E+01 mv 2 89 43 50 0 + 4 e 387 182 etot -7.5419E+01 mv 6 89 18 50 0 + 4 e 361 183 etot -8.2219E+01 mv 6 89 18 67 0 + 4 e 162 209 etot -8.2252E+01 mv 2 89 103 -65 0 + 4 e 336 199 etot -8.3729E+01 mv 6 89 94 42 0 + 4 e 151 221 etot -7.6897E+01 mv 2 89 96 187 0 + 4 e 182 216 etot -6.8056E+01 mv 2 89 16 -192 0 + -1 e 1 239 etot 1.3528E+20 mv 2 89 194 -74 0 + 4 e 285 207 etot -8.0972E+01 mv 2 89 103 -181 0 + 4 e 461 195 etot -8.2622E+01 mv 6 89 94 35 0 + 4 e 539 159 etot -7.8500E+01 mv 6 89 178 108 0 + 4 e 529 189 etot -8.1875E+01 mv 6 89 18 149 0 + 4 e 229 217 etot -8.6442E+01 mv 2 89 16 103 0 c 16 2.5 0.0 + 4 e 356 205 etot -7.8619E+01 mv 2 89 110 -46 0 + 4 e 359 204 etot -7.8960E+01 mv 2 89 110 -190 0 + 4 e 212 223 etot -8.9316E+01 mv 2 89 96 154 0 c 96 3.8 0.0 + 4 e 224 225 etot -8.9316E+01 mv 2 89 96 170 0 c 96 1.2 0.0 + 4 e 272 218 etot -8.6442E+01 mv 2 89 16 -19 0 + 4 e 353 211 etot -8.3901E+01 mv 2 89 43 23 0 + 4 e 216 214 etot -6.9254E+01 mv 2 89 43 -96 0 + 4 e 353 215 etot -8.6869E+01 mv 2 89 43 35 0 + 4 e 216 233 etot -8.4432E+01 mv 2 89 136 -69 0 + 4 e 398 212 etot -8.6869E+01 mv 2 89 43 -173 0 + 4 e 505 203 etot -7.9588E+01 mv 2 89 110 -10 0 + 4 e 211 241 etot -7.0769E+01 mv 2 89 177 -117 0 + 4 e 227 237 etot -7.5792E+01 mv 2 89 194 149 0 + 4 e 193 244 etot -7.5206E+01 mv 2 89 177 116 0 + 4 e 355 229 etot -8.5873E+01 mv 2 89 154 63 0 + 4 e 451 197 etot -8.2449E+01 mv 6 89 94 139 0 + 4 e 374 228 etot -8.5693E+01 mv 2 89 154 61 0 + 4 e 244 245 etot -7.4353E+01 mv 2 89 177 191 0 + 4 e 289 240 etot -8.2278E+01 mv 2 89 194 38 0 + 4 e 302 238 etot -8.3758E+01 mv 2 89 194 -118 0 + 4 e 272 246 etot -7.3968E+01 mv 2 89 138 166 0 + 4 e 478 227 etot -7.6774E+01 mv 2 89 154 -157 0 + -1 e 1 267 etot 1.3528E+20 mv 2 89 146 -10 0 + 4 e 276 249 etot -6.1819E+01 mv 2 89 138 6 0 + 4 e 245 251 etot -6.5081E+01 mv 2 89 119 -43 0 + -1 e 1 269 etot 1.3528E+20 mv 2 89 146 36 0 + 4 e 294 248 etot -8.4357E+01 mv 2 89 138 -193 0 + 4 e 464 231 etot -7.7551E+01 mv 2 89 136 155 0 + 4 e 238 243 etot -8.3274E+01 mv 2 89 177 74 0 + 4 e 391 242 etot -8.4318E+01 mv 2 89 177 69 0 + -1 e 1 275 etot 1.3528E+20 mv 2 89 158 118 0 + 4 e 494 230 etot -8.4645E+01 mv 2 89 154 -47 0 + 4 e 392 247 etot -6.6522E+01 mv 2 89 138 -16 0 + 4 e 286 254 etot -8.7490E+01 mv 2 89 119 37 0 + 4 e 310 255 etot -8.7490E+01 mv 2 89 119 165 0 + 4 e 360 253 etot -8.7489E+01 mv 2 89 119 115 0 + 4 e 151 271 etot -8.4302E+01 mv 2 89 158 -2 0 + 4 e 269 260 etot -8.4724E+01 mv 2 89 191 -95 0 + 4 e 709 220 etot -8.3115E+01 mv 2 89 16 94 0 + 4 e 289 262 etot -7.5751E+01 mv 2 89 99 -175 0 + 4 e 353 258 etot -7.7615E+01 mv 2 89 191 49 0 + -1 e 1 286 etot 2.7783E+20 mv 2 89 89 -40 0 + 4 e 534 219 etot -8.6439E+01 mv 2 89 16 55 0 + 4 e 246 270 etot -7.2765E+01 mv 2 89 146 63 0 + 4 e 226 273 etot -8.4302E+01 mv 2 89 158 200 0 + 4 e 260 268 etot -7.5024E+01 mv 2 89 146 -161 0 + 4 e 280 266 etot -8.4339E+01 mv 2 89 146 155 0 + 4 e 411 257 etot -7.2214E+01 mv 2 89 191 54 0 + 4 e 410 259 etot -8.2825E+01 mv 2 89 191 -120 0 + 4 e 478 234 etot -8.5135E+01 mv 2 89 136 150 0 + 4 e 511 235 etot -7.5207E+01 mv 2 89 136 -160 0 + 4 e 388 265 etot -8.5549E+01 mv 2 89 99 -60 0 + 4 e 224 280 etot -8.4291E+01 mv 2 89 178 183 0 + 4 e 423 263 etot -7.8793E+01 mv 2 89 99 110 0 + 4 e 308 277 etot -6.3797E+01 mv 2 89 178 181 0 + 4 e 402 252 etot -8.3162E+01 mv 2 89 119 98 0 + 4 e 138 287 etot -6.9850E+01 mv 2 89 89 117 0 + 4 e 209 281 etot -8.4240E+01 mv 2 89 127 -134 0 + 4 e 364 272 etot -8.4301E+01 mv 2 89 158 154 0 + 4 e 546 256 etot -8.2824E+01 mv 2 89 191 -36 0 + 4 e 324 279 etot -7.8364E+01 mv 2 89 178 -63 0 + 4 e 232 283 etot -8.4017E+01 mv 2 89 127 -12 0 + 4 e 576 236 etot -8.2326E+01 mv 2 89 194 76 0 + 4 e 729 250 etot -7.9198E+01 mv 2 89 138 183 0 + 4 e 522 264 etot -8.6502E+01 mv 2 89 99 121 0 + 4 e 289 274 etot -7.4462E+01 mv 2 89 158 85 0 + 4 e 397 278 etot -6.5543E+01 mv 2 89 178 -164 0 + 8 e 12 308 etot -6.3991E+01 mv 1 89 103 -72 0 + 4 e 309 284 etot -8.4239E+01 mv 2 89 127 -60 0 + 4 e 312 285 etot -8.4240E+01 mv 2 89 127 -100 0 + 4 e 262 292 etot -6.9939E+01 mv 2 89 18 -34 0 + 4 e 196 297 etot -8.3288E+01 mv 2 89 94 102 0 + 4 e 660 232 etot -8.2139E+01 mv 2 89 136 117 0 + 4 e 196 300 etot -8.4718E+01 mv 2 89 94 -17 0 + 4 e 388 282 etot -7.1705E+01 mv 2 89 127 -171 0 + 4 e 147 307 etot -8.8203E+01 mv 1 89 103 92 0 + 4 e 293 293 etot -8.4520E+01 mv 2 89 18 -95 0 + -1 e 1 322 etot 1.3528E+20 mv 1 89 96 -50 0 + 4 e 373 290 etot -7.8112E+01 mv 2 89 89 20 0 + 4 e 596 276 etot -7.9371E+01 mv 2 89 178 73 0 + 4 e 189 309 etot -8.8203E+01 mv 1 89 103 -158 0 + 4 e 256 306 etot -8.8203E+01 mv 1 89 103 -36 0 + 4 e 311 302 etot -7.5737E+01 mv 1 89 110 17 0 + 4 e 306 303 etot -7.9022E+01 mv 1 89 110 188 0 + 4 e 276 295 etot -8.4521E+01 mv 2 89 18 91 0 + 4 e 467 289 etot -6.5083E+01 mv 2 89 89 -31 0 + 4 e 367 299 etot -7.8583E+01 mv 2 89 94 -176 0 + 4 e 557 261 etot -8.2268E+01 mv 2 89 99 -66 0 + 4 e 260 310 etot -8.8021E+01 mv 1 89 103 -168 0 + 4 e 292 312 etot -7.2682E+01 mv 1 89 43 -109 0 + 4 e 385 288 etot -7.7551E+01 mv 2 89 89 -69 0 + 4 e 267 319 etot -8.5764E+01 mv 1 89 16 170 0 + 4 e 310 315 etot -8.6114E+01 mv 1 89 43 143 0 + 4 e 265 321 etot -8.9184E+01 mv 1 89 96 176 0 + 4 e 213 324 etot -7.1785E+01 mv 1 89 96 -29 0 + 4 e 189 326 etot -8.5873E+01 mv 1 89 154 54 0 c 154 2.2 0.0 + 4 e 455 304 etot -8.2905E+01 mv 1 89 110 183 0 + 4 e 604 291 etot -8.0812E+01 mv 2 89 18 153 0 + 4 e 520 298 etot -6.5131E+01 mv 2 89 94 -169 0 + 4 e 341 317 etot -8.5726E+01 mv 1 89 16 -83 0 + 4 e 477 305 etot -8.4828E+01 mv 1 89 110 20 0 + -1 e 1 346 etot 1.3528E+20 mv 1 89 138 156 0 + 4 e 414 314 etot -8.3716E+01 mv 1 89 43 122 0 + 4 e 590 294 etot -8.3697E+01 mv 2 89 18 156 0 + 4 e 381 301 etot -8.3501E+01 mv 1 89 110 -139 0 + 4 e 294 318 etot -8.4889E+01 mv 1 89 16 -83 0 + 4 e 291 328 etot -8.5873E+01 mv 1 89 154 69 0 + 4 e 437 316 etot -8.6441E+01 mv 1 89 16 148 0 + -1 e 1 352 etot 1.3528E+20 mv 1 89 119 2 0 + -1 e 1 354 etot 1.3528E+20 mv 1 89 119 -166 0 + 4 e 345 325 etot -7.9877E+01 mv 1 89 96 196 0 + 4 e 460 320 etot -7.0431E+01 mv 1 89 16 3 0 + 4 e 154 336 etot -7.3807E+01 mv 1 89 194 78 0 + -1 e 1 358 etot 1.3528E+20 mv 1 89 191 -46 0 + 4 e 347 329 etot -8.5872E+01 mv 1 89 154 -113 0 + 4 e 171 343 etot -8.4358E+01 mv 1 89 177 41 0 + 4 e 177 348 etot -8.4358E+01 mv 1 89 138 25 0 + 4 e 426 327 etot -8.0098E+01 mv 1 89 154 149 0 + 4 e 257 341 etot -8.3533E+01 mv 1 89 177 181 0 + 4 e 284 330 etot -7.7236E+01 mv 1 89 154 -48 0 + 4 e 299 340 etot -8.4390E+01 mv 1 89 194 -92 0 + 4 e 562 323 etot -8.9315E+01 mv 1 89 96 -130 0 + 4 e 268 345 etot -8.3432E+01 mv 1 89 177 86 0 + -1 e 1 368 etot 1.3528E+20 mv 1 89 146 166 0 + 4 e 286 347 etot -8.1089E+01 mv 1 89 138 -164 0 + 4 e 593 296 etot -7.8154E+01 mv 2 89 94 -67 0 + 4 e 371 338 etot -8.2433E+01 mv 1 89 194 79 0 + 4 e 502 313 etot -7.4675E+01 mv 1 89 43 28 0 + 4 e 407 339 etot -7.4465E+01 mv 1 89 194 -157 0 + -1 e 1 374 etot 4.7714E+29 mv 1 89 158 3 0 + 4 e 370 342 etot -8.3279E+01 mv 1 89 177 -144 0 + 4 e 529 311 etot -8.4159E+01 mv 1 89 43 12 0 + 4 e 291 355 etot -8.7490E+01 mv 1 89 119 -31 0 + 4 e 161 367 etot -7.7623E+01 mv 1 89 146 47 0 + 4 e 327 356 etot -8.2256E+01 mv 1 89 191 116 0 + -1 e 1 380 etot 1.3528E+20 mv 1 89 178 93 0 + 4 e 579 335 etot -7.5556E+01 mv 1 89 136 113 0 + 4 e 247 362 etot -8.3905E+01 mv 1 89 99 52 0 + 4 e 629 331 etot -8.4429E+01 mv 1 89 136 64 0 + 4 e 308 361 etot -8.6504E+01 mv 1 89 99 -10 0 c 99 3.2 0.0 + 4 e 640 332 etot -7.6537E+01 mv 1 89 136 -102 0 + 4 e 628 334 etot -8.3190E+01 mv 1 89 136 103 0 + 4 e 345 357 etot -8.4723E+01 mv 1 89 191 19 0 + 4 e 208 370 etot -7.2268E+01 mv 1 89 146 12 0 + 4 e 406 353 etot -8.5538E+01 mv 1 89 119 46 0 + 4 e 571 337 etot -8.3749E+01 mv 1 89 194 110 0 + 4 e 261 366 etot -8.4339E+01 mv 1 89 146 33 0 + 4 e 247 369 etot -8.4121E+01 mv 1 89 146 -84 0 + 4 e 562 344 etot -7.4905E+01 mv 1 89 177 -191 0 + 4 e 329 351 etot -8.7489E+01 mv 1 89 119 44 0 + 4 e 362 363 etot -7.4044E+01 mv 1 89 99 -7 0 + 4 e 240 375 etot -8.4302E+01 mv 1 89 158 -8 0 + 4 e 179 373 etot -8.3634E+01 mv 1 89 158 47 0 + 4 e 531 333 etot -8.0921E+01 mv 1 89 136 -171 0 + 4 e 202 381 etot -8.4240E+01 mv 1 89 127 58 0 + 4 e 246 378 etot -8.4290E+01 mv 1 89 178 -74 0 + 4 e 201 384 etot -8.4240E+01 mv 1 89 127 175 0 + 4 e 286 365 etot -8.3423E+01 mv 1 89 99 78 0 + 4 e 362 372 etot -7.5940E+01 mv 1 89 158 -1 0 + 4 e 447 350 etot -8.4355E+01 mv 1 89 138 98 0 + 4 e 286 379 etot -6.1047E+01 mv 1 89 178 154 0 + 4 e 249 382 etot -8.4240E+01 mv 1 89 127 167 0 + 4 e 373 376 etot -7.2737E+01 mv 1 89 178 33 0 + 4 e 81 401 etot -8.4830E+01 mv 0 89 110 0 0 c 110 0.3 0.0 + 4 e 2 408 etot -8.4391E+01 mv 0 89 194 0 0 + 4 e 27 407 etot -8.4432E+01 mv 0 89 136 0 0 c 136 0.1 0.0 + 4 e 709 349 etot -7.6228E+01 mv 1 89 138 -33 0 + 4 e 180 394 etot -6.9794E+01 mv 1 89 18 145 0 + 4 e 603 360 etot -8.2176E+01 mv 1 89 191 11 0 + 4 e 81 402 etot -8.8203E+01 mv 0 89 103 0 0 c 103 0.6 0.0 + 4 e 19 410 etot -8.4358E+01 mv 0 89 138 0 0 + 4 e 21 414 etot -8.4340E+01 mv 0 89 146 0 0 c 146 0.0 0.0 + 4 e 38 409 etot -8.4358E+01 mv 0 89 177 0 0 c 177 0.1 0.0 + 4 e 31 412 etot -8.4725E+01 mv 0 89 191 0 0 c 191 0.0 0.0 + 4 e 300 386 etot -8.4216E+01 mv 1 89 89 33 0 c 89 3.5 0.0 +## N0 total= 19 close= 15 far= 0 %acc 78.9 +## N1 total= 101 close= 3 far= 0 %acc 3.0 +## N2 total= 100 close= 5 far= 0 %acc 5.0 +## N3 total= 0 close= 0 far= 0 %acc 0.0 +## N4 total= 0 close= 0 far= 0 %acc 0.0 +## N5 total= 0 close= 0 far= 0 %acc 0.0 +## N6 total= 200 close= 8 far= 2 %acc 5.0 +## N7 total= 0 close= 0 far= 0 %acc 0.0 +## N8 total= 0 close= 0 far= 0 %acc 0.0 +## N9 total= 0 close= 0 far= 0 %acc 0.0 +##N10 total= 0 close= 0 far= 0 %acc 0.0 +##N11 total= 0 close= 0 far= 0 %acc 0.0 +##N12 total= 0 close= 0 far= 0 %acc 0.0 +##N13 total= 0 close= 0 far= 0 %acc 0.0 +##N14 total= 0 close= 0 far= 0 %acc 0.0 +##N15 total= 0 close= 0 far= 0 %acc 0.0 +##N16 total= 0 close= 0 far= 0 %acc 0.0 +##N17 total= 0 close= 0 far= 0 %acc 0.0 +##N18 total= 0 close= 0 far= 0 %acc 0.0 + Time for refresh 90 0.28 + make_var : nseed= 20 ntry= 420 + Time for make trial 91 0.06 +Nonsetup time 175.60 sec, Eval/s = 65007.78 +Time for iter 91 1.68 sec, Eval/s = 68451.19 + UPDATING 420 + 4 e 281 390 etot -6.5716E+01 mv 1 89 89 -143 0 + 4 e 680 364 etot -7.0344E+01 mv 1 89 99 -28 0 + 4 e 352 387 etot -8.4898E+01 mv 1 89 89 153 0 c 89 259.6 0.7 + 4 e 147 406 etot -8.5874E+01 mv 0 89 154 0 0 c 154 0.9 0.0 + 4 e 66 417 etot -8.4240E+01 mv 0 89 127 0 0 c 127 0.3 0.0 + 4 e 75 416 etot -8.4291E+01 mv 0 89 178 0 0 c 178 0.2 0.0 + 4 e 258 396 etot -8.4718E+01 mv 1 89 94 83 0 + 4 e 271 391 etot -8.4521E+01 mv 1 89 18 -31 0 + 4 e 384 388 etot -8.5507E+01 mv 1 89 89 157 0 + 4 e 48 415 etot -8.4302E+01 mv 0 89 158 0 0 c 158 0.1 0.0 + 4 e 333 383 etot -8.2399E+01 mv 1 89 127 153 0 + 4 e 433 393 etot -8.4518E+01 mv 1 89 18 -60 0 + 4 e 378 411 etot -8.7490E+01 mv 0 89 119 0 0 + 4 e 510 400 etot -7.2880E+01 mv 1 89 94 -181 0 + -1 e 1 4 etot 1.8313E+21 mv 6 90 11 1 0 + 4 e 99 418 etot -8.4216E+01 mv 0 89 89 0 0 + 4 e 53 419 etot -8.4521E+01 mv 0 89 18 0 0 c 18 0.3 0.0 + 4 e 327 389 etot -6.8428E+01 mv 1 89 89 -30 0 + 4 e 126 404 etot -8.6442E+01 mv 0 89 16 0 0 c 16 1.3 0.0 + 4 e 378 385 etot -6.8313E+01 mv 1 89 127 -143 0 + -1 e 1 14 etot 1.3528E+20 mv 6 90 119 80 0 + 4 e 119 413 etot -8.6504E+01 mv 0 89 99 0 0 c 99 1.3 0.0 + 4 e 568 392 etot -8.0811E+01 mv 1 89 18 26 0 + 4 e 2 420 etot -8.4718E+01 mv 0 89 94 0 0 + 4 e 269 397 etot -8.3945E+01 mv 1 89 94 33 0 + -1 e 1 16 etot 1.3528E+20 mv 6 90 119 89 0 + 4 e 185 405 etot -8.9316E+01 mv 0 89 96 0 0 c 96 1.2 0.0 + 4 e 449 377 etot -7.8156E+01 mv 1 89 178 165 0 + 4 e 335 371 etot -7.1261E+01 mv 1 89 158 -17 0 + 4 e 229 399 etot -8.4717E+01 mv 1 89 94 -35 0 + -1 e 1 24 etot 1.3528E+20 mv 6 90 56 195 0 + 4 e 299 395 etot -8.4521E+01 mv 1 89 18 -8 0 + 4 e 480 359 etot -7.3201E+01 mv 1 89 191 -188 0 + 4 e 588 398 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-7.7966E+01 mv 1 90 133 -80 0 + 4 e 234 370 etot -8.4297E+01 mv 1 90 126 -82 0 + 4 e 365 356 etot -8.1190E+01 mv 1 90 60 -125 0 + 4 e 154 375 etot -8.3939E+01 mv 1 90 9 -190 0 c 9 1.2 0.0 + 4 e 254 369 etot -6.9383E+01 mv 1 90 126 -34 0 + 4 e 264 373 etot -8.3938E+01 mv 1 90 9 88 0 + 4 e 350 365 etot -8.4340E+01 mv 1 90 133 -34 0 + 4 e 286 355 etot -8.3969E+01 mv 1 90 186 -71 0 + 4 e 452 353 etot -7.7654E+01 mv 1 90 186 -184 0 + 4 e 232 374 etot -8.3939E+01 mv 1 90 9 -32 0 c 9 0.7 0.0 + 4 e 375 346 etot -8.3078E+01 mv 1 90 190 -100 0 + 4 e 200 380 etot -8.3034E+01 mv 1 90 160 24 0 + 8 e 22 393 etot -6.3989E+01 mv 1 90 7 -2 0 + 4 e 497 357 etot -7.5509E+01 mv 1 90 60 176 0 + 4 e 167 389 etot -6.9450E+01 mv 1 90 165 -117 0 + 4 e 206 379 etot -7.0848E+01 mv 1 90 160 -144 0 + 4 e 308 368 etot -8.4816E+01 mv 1 90 126 38 0 c 126 50.1 0.5 + 4 e 523 360 etot -8.4752E+01 mv 1 90 60 179 0 c 60 157.3 0.8 + 4 e 362 376 etot -8.3855E+01 mv 1 90 160 38 0 + 4 e 305 371 etot -8.3938E+01 mv 1 90 9 -199 0 + 4 e 235 378 etot -8.3855E+01 mv 1 90 160 -60 0 + 4 e 523 367 etot -8.3310E+01 mv 1 90 126 128 0 + 4 e 525 337 etot -8.1104E+01 mv 1 90 54 83 0 + 4 e 229 388 etot -8.2703E+01 mv 1 90 165 -103 0 + 4 e 10 408 etot -8.4273E+01 mv 0 90 54 0 0 c 54 0.0 0.0 + 4 e 10 409 etot -8.4094E+01 mv 0 90 114 0 0 c 114 0.0 0.0 + 4 e 578 358 etot -8.3340E+01 mv 1 90 60 -168 0 f 151 357.2 0.2 + 4 e 13 411 etot -8.3970E+01 mv 0 90 186 0 0 + 4 e 94 401 etot -8.3706E+01 mv 0 90 11 0 0 c 11 0.6 0.0 + 4 e 261 390 etot -8.3799E+01 mv 1 90 165 -108 0 + 4 e 683 354 etot -5.0408E+01 mv 1 90 186 -37 0 + 4 e 33 410 etot -8.4070E+01 mv 0 90 190 0 0 c 190 0.0 0.0 + 4 e 36 413 etot -8.4341E+01 mv 0 90 133 0 0 c 133 0.1 0.0 + 4 e 305 387 etot -6.5833E+01 mv 1 90 165 -34 0 + 4 e 11 416 etot -8.3855E+01 mv 0 90 160 0 0 c 160 0.0 0.0 +## N0 total= 19 close= 15 far= 0 %acc 78.9 +## N1 total= 101 close= 10 far= 1 %acc 10.9 +## N2 total= 100 close= 5 far= 0 %acc 5.0 +## N3 total= 0 close= 0 far= 0 %acc 0.0 +## N4 total= 0 close= 0 far= 0 %acc 0.0 +## N5 total= 0 close= 0 far= 0 %acc 0.0 +## N6 total= 200 close= 10 far= 0 %acc 5.0 +## N7 total= 0 close= 0 far= 0 %acc 0.0 +## N8 total= 0 close= 0 far= 0 %acc 0.0 +## N9 total= 0 close= 0 far= 0 %acc 0.0 +##N10 total= 0 close= 0 far= 0 %acc 0.0 +##N11 total= 0 close= 0 far= 0 %acc 0.0 +##N12 total= 0 close= 0 far= 0 %acc 0.0 +##N13 total= 0 close= 0 far= 0 %acc 0.0 +##N14 total= 0 close= 0 far= 0 %acc 0.0 +##N15 total= 0 close= 0 far= 0 %acc 0.0 +##N16 total= 0 close= 0 far= 0 %acc 0.0 +##N17 total= 0 close= 0 far= 0 %acc 0.0 +##N18 total= 0 close= 0 far= 0 %acc 0.0 + Time for refresh 91 0.27 + make_var : nseed= 20 ntry= 420 + Time for make trial 92 0.08 +Nonsetup time 177.30 sec, Eval/s = 65023.89 +Time for iter 92 1.70 sec, Eval/s = 66688.88 + UPDATING 420 + 4 e 382 381 etot -8.4173E+01 mv 1 90 58 75 0 c 58 60.3 0.3 + 4 e 346 384 etot -8.4296E+01 mv 1 90 58 15 0 c 58 45.3 0.1 + 4 e 63 418 etot -8.3800E+01 mv 0 90 165 0 0 c 165 0.2 0.0 + 4 e 125 403 etot -8.5508E+01 mv 0 90 56 0 0 c 56 1.0 0.0 + 4 e 132 407 etot -8.4399E+01 mv 0 90 27 0 0 c 27 0.9 0.0 + 4 e 499 382 etot -7.7383E+01 mv 1 90 58 44 0 + 4 e 111 420 etot -8.3796E+01 mv 0 90 155 0 0 c 155 1.0 0.0 + 4 e 160 404 etot -8.7052E+01 mv 0 90 76 0 0 c 76 0.5 0.0 + 4 e 235 395 etot -8.5071E+01 mv 1 90 7 24 0 + 4 e 240 399 etot -8.3796E+01 mv 1 90 155 -140 0 + 4 e 246 394 etot -8.5143E+01 mv 1 90 7 -192 0 c 7 5.9 0.0 + 4 e 154 419 etot -8.5072E+01 mv 0 90 7 0 0 + 4 e 639 359 etot -7.9665E+01 mv 1 90 60 -70 0 + 4 e 566 385 etot -8.0426E+01 mv 1 90 58 -132 0 + -1 e 1 4 etot 9.8318E+23 mv 6 91 109 4 0 + 4 e 32 414 etot -8.4298E+01 mv 0 90 126 0 0 + 4 e 220 400 etot -8.3796E+01 mv 1 90 155 -134 0 + 4 e 214 397 etot -8.3290E+01 mv 1 90 155 51 0 + -1 e 1 8 etot 1.3528E+20 mv 6 91 109 106 0 + 4 e 554 383 etot -8.2743E+01 mv 1 90 58 -187 0 + 4 e 85 415 etot -8.3939E+01 mv 0 90 9 0 0 c 9 0.4 0.0 + 4 e 475 391 etot -8.4430E+01 mv 1 90 7 189 0 + 4 e 381 386 etot -7.4672E+01 mv 1 90 165 -78 0 + 4 e 345 392 etot -8.5070E+01 mv 1 90 7 25 0 + 4 e 101 412 etot -8.3949E+01 mv 0 90 60 0 0 + -1 e 1 17 etot 1.3528E+20 mv 6 91 14 11 0 + 4 e 334 396 etot -8.3795E+01 mv 1 90 155 110 0 + 4 e 168 406 etot -8.6194E+01 mv 0 90 26 0 0 + 4 e 456 366 etot -8.4296E+01 mv 1 90 126 18 0 + 4 e 151 402 etot -8.8038E+01 mv 0 90 119 0 0 + 4 e 534 377 etot -8.0303E+01 mv 1 90 160 146 0 + 4 e 158 398 etot -8.3796E+01 mv 1 90 155 -64 0 + 4 e 111 405 etot -8.6430E+01 mv 0 90 176 0 0 c 176 1.9 0.0 + 4 e 44 417 etot -8.3845E+01 mv 0 90 58 0 0 + 4 e 203 27 etot -7.8311E+01 mv 6 91 7 37 0 + 4 e 235 5 etot -6.8950E+01 mv 6 91 109 114 0 + 4 e 231 34 etot -9.0745E+01 mv 6 91 119 161 0 + 4 e 253 20 etot -8.5225E+01 mv 6 91 14 40 0 + -1 e 1 38 etot 1.3528E+20 mv 6 91 119 107 0 + 4 e 253 32 etot -8.2887E+01 mv 6 91 119 164 0 + 4 e 260 12 etot -8.5243E+01 mv 6 91 14 185 0 + 4 e 233 24 etot -8.0525E+01 mv 6 91 7 137 0 + 4 e 307 15 etot -8.5957E+01 mv 6 91 14 23 0 + -1 e 1 43 etot 1.3528E+20 mv 6 91 89 198 0 + 4 e 259 16 etot -8.1449E+01 mv 6 91 14 191 0 + 4 e 273 11 etot -7.6630E+01 mv 6 91 14 187 0 + 4 e 270 9 etot -8.3150E+01 mv 6 91 109 198 0 + 4 e 251 13 etot -8.5045E+01 mv 6 91 14 136 0 + 4 e 281 25 etot -8.4500E+01 mv 6 91 7 109 0 + 4 e 299 19 etot -8.1013E+01 mv 6 91 14 109 0 + 4 e 314 22 etot -7.9931E+01 mv 6 91 7 95 0 + 4 e 337 18 etot -7.9919E+01 mv 6 91 14 61 0 + 4 e 341 1 etot -8.2185E+01 mv 6 91 109 95 0 + 4 e 325 23 etot -8.5141E+01 mv 6 91 7 181 0 + 4 e 235 36 etot -9.0074E+01 mv 6 91 119 176 0 + 4 e 369 10 etot -8.1480E+01 mv 6 91 109 154 0 + 4 e 477 6 etot -8.6265E+01 mv 6 91 109 60 0 + 4 e 374 30 etot -8.2256E+01 mv 6 91 7 88 0 + 4 e 409 33 etot -9.0080E+01 mv 6 91 119 86 0 + 4 e 216 35 etot -8.3945E+01 mv 6 91 119 70 0 + 4 e 524 7 etot -7.5974E+01 mv 6 91 109 93 0 + 4 e 443 3 etot -8.2590E+01 mv 6 91 109 15 0 + 4 e 387 29 etot -8.1217E+01 mv 6 91 7 58 0 + 4 e 428 31 etot -9.0744E+01 mv 6 91 119 63 0 + -1 e 1 64 etot 1.3528E+20 mv 6 91 60 182 0 + -1 e 1 65 etot 1.3528E+20 mv 6 91 60 142 0 + 4 e 426 26 etot -8.0371E+01 mv 6 91 7 120 0 + 4 e 401 28 etot -8.5206E+01 mv 6 91 7 174 0 c 7 44.7 0.1 + 4 e 444 21 etot -7.8629E+01 mv 6 91 7 75 0 + 4 e 213 40 etot -8.1762E+01 mv 6 91 119 99 0 + 4 e 504 14 etot -7.8807E+01 mv 6 91 14 103 0 + 4 e 213 39 etot -9.0745E+01 mv 6 91 119 89 0 + 4 e 263 45 etot -8.0135E+01 mv 6 91 89 55 0 + 4 e 196 51 etot -7.2290E+01 mv 6 91 126 181 0 + 4 e 213 57 etot -8.5078E+01 mv 6 91 126 17 0 c 126 110.0 0.3 + 4 e 234 55 etot -8.4498E+01 mv 6 91 126 121 0 + 4 e 188 56 etot -6.8751E+01 mv 6 91 126 78 0 + 4 e 399 44 etot -8.2960E+01 mv 6 91 89 24 0 + -1 e 1 78 etot 1.3528E+20 mv 6 91 156 186 0 + 4 e 307 37 etot -8.0548E+01 mv 6 91 119 97 0 + 4 e 661 2 etot -7.8484E+01 mv 6 91 109 189 0 + 4 e 406 42 etot -8.6376E+01 mv 6 91 89 64 0 + 4 e 46 80 etot -8.5080E+01 mv 6 91 156 109 0 c 109 0.1 0.0 + 4 e 340 54 etot -8.4816E+01 mv 6 91 126 185 0 + 4 e 277 61 etot -8.3210E+01 mv 6 91 60 155 0 + 4 e 418 48 etot -7.9064E+01 mv 6 91 89 96 0 + 4 e 196 71 etot -7.5800E+01 mv 6 91 156 168 0 + 4 e 352 50 etot -8.1810E+01 mv 6 91 89 37 0 + -1 e 1 88 etot 1.3528E+20 mv 6 91 186 94 0 + 4 e 171 73 etot -8.4247E+01 mv 6 91 156 147 0 + 4 e 413 49 etot -8.3852E+01 mv 6 91 89 143 0 + 4 e 304 62 etot -7.3529E+01 mv 6 91 60 21 0 + 4 e 420 46 etot -7.5987E+01 mv 6 91 89 57 0 + 4 e 321 52 etot -8.4563E+01 mv 6 91 126 14 0 + 4 e 431 47 etot -8.3874E+01 mv 6 91 89 42 0 + 4 e 524 41 etot -8.1914E+01 mv 6 91 89 185 0 + 4 e 181 79 etot -7.7063E+01 mv 6 91 156 69 0 + -1 e 1 97 etot 1.3528E+20 mv 6 91 93 137 0 + 4 e 240 75 etot -7.5682E+01 mv 6 91 156 148 0 + 4 e 516 53 etot -7.5646E+01 mv 6 91 126 105 0 + -1 e 1 100 etot 1.3528E+20 mv 6 91 93 97 0 + 4 e 307 69 etot -6.9703E+01 mv 6 91 60 58 0 + 4 e 255 76 etot -8.4247E+01 mv 6 91 156 196 0 + 4 e 332 58 etot -7.9288E+01 mv 6 91 126 52 0 + 4 e 312 74 etot -8.1830E+01 mv 6 91 156 17 0 + 4 e 341 67 etot -7.6441E+01 mv 6 91 60 195 0 + 4 e 77 102 etot -8.9527E+01 mv 6 91 125 116 0 + 4 e 254 82 etot -8.3936E+01 mv 6 91 186 179 0 + 4 e 233 86 etot -8.3505E+01 mv 6 91 186 75 0 f 120 361.9 0.3 + 4 e 249 85 etot -8.2774E+01 mv 6 91 186 90 0 + 4 e 319 68 etot -8.3140E+01 mv 6 91 60 162 0 + 4 e 300 84 etot -8.0037E+01 mv 6 91 186 96 0 + 4 e 452 72 etot -7.8152E+01 mv 6 91 156 78 0 + -1 e 1 113 etot 1.3528E+20 mv 6 91 69 7 0 + 4 e 260 92 etot -8.3690E+01 mv 6 91 93 35 0 + 4 e 392 81 etot -7.8995E+01 mv 6 91 186 175 0 + 8 e 55 109 etot -6.3999E+01 mv 6 91 125 170 0 + 4 e 447 59 etot -7.7800E+01 mv 6 91 126 86 0 + 4 e 426 60 etot -8.1892E+01 mv 6 91 126 118 0 + 4 e 370 70 etot -8.3340E+01 mv 6 91 60 151 0 c 151 3.2 0.0 + 4 e 262 96 etot -8.4079E+01 mv 6 91 93 158 0 + 4 e 385 63 etot -8.5637E+01 mv 6 91 60 61 0 + 4 e 386 87 etot -8.1718E+01 mv 6 91 186 101 0 + 4 e 265 101 etot -8.3778E+01 mv 6 91 125 183 0 + 4 e 28 122 etot -9.2543E+01 mv 6 91 49 104 0 c 104 0.1 0.0 + 4 e 246 124 etot -7.1274E+01 mv 6 91 49 169 0 + 4 e 199 116 etot -7.5757E+01 mv 6 91 69 171 0 + 4 e 349 98 etot -8.4551E+01 mv 6 91 93 147 0 + 4 e 353 99 etot -7.9485E+01 mv 6 91 93 24 0 + 4 e 227 110 etot -7.3252E+01 mv 6 91 125 81 0 + 4 e 387 95 etot -8.3690E+01 mv 6 91 93 109 0 + 4 e 559 77 etot -8.4294E+01 mv 6 91 156 115 0 + 4 e 480 93 etot -7.8837E+01 mv 6 91 93 127 0 + 4 e 240 121 etot -8.2324E+01 mv 6 91 49 169 0 + 4 e 210 117 etot -8.4570E+01 mv 6 91 69 130 0 + 4 e 246 123 etot -7.5656E+01 mv 6 91 49 120 0 + 4 e 522 90 etot -7.4453E+01 mv 6 91 186 92 0 + -1 e 1 129 etot 1.3528E+20 mv 6 91 49 83 0 + 4 e 284 106 etot -7.5065E+01 mv 6 91 125 85 0 + 4 e 364 94 etot -8.0634E+01 mv 6 91 93 5 0 + 4 e 186 114 etot -8.2369E+01 mv 6 91 69 9 0 + 4 e 296 107 etot -8.2289E+01 mv 6 91 125 120 0 + 4 e 425 105 etot -8.4103E+01 mv 6 91 125 105 0 c 10 246.8 0.8 + 4 e 235 112 etot -8.1628E+01 mv 6 91 69 114 0 + 4 e 295 108 etot -7.7367E+01 mv 6 91 125 152 0 + 4 e 613 91 etot -7.7211E+01 mv 6 91 93 136 0 + 4 e 157 111 etot -8.6881E+01 mv 6 91 69 41 0 + 4 e 525 66 etot -8.3138E+01 mv 6 91 60 179 0 + 4 e 218 118 etot -6.8083E+01 mv 6 91 69 22 0 + 4 e 352 83 etot -7.4956E+01 mv 6 91 186 174 0 + -1 e 1 149 etot 1.3528E+20 mv 6 91 73 185 0 + 4 e 386 115 etot -8.4092E+01 mv 6 91 69 162 0 + -1 e 1 151 etot 1.3528E+20 mv 6 91 91 111 0 + -1 e 1 127 etot 1.3528E+20 mv 6 91 49 32 0 + 4 e 24 126 etot -8.3288E+01 mv 6 91 49 164 0 c 164 0.1 0.0 + 4 e 387 104 etot -8.2876E+01 mv 6 91 125 63 0 + 4 e 765 89 etot -8.2074E+01 mv 6 91 186 178 0 + 4 e 259 125 etot -7.5367E+01 mv 6 91 49 7 0 + 4 e 346 119 etot -7.7747E+01 mv 6 91 69 23 0 + 4 e 688 103 etot -7.9395E+01 mv 6 91 125 124 0 + -1 e 1 160 etot 1.3528E+20 mv 6 91 91 97 0 + -1 e 1 161 etot 1.3528E+20 mv 6 91 166 81 0 + 4 e 151 145 etot -6.5201E+01 mv 6 91 73 152 0 + 4 e 190 131 etot -8.5760E+01 mv 6 91 187 25 0 c 74 184.7 2.0 + 4 e 171 155 etot -7.7375E+01 mv 6 91 91 161 0 + -1 e 1 165 etot 1.3528E+20 mv 6 91 166 41 0 + 4 e 252 144 etot -7.2306E+01 mv 6 91 73 8 0 + 4 e 263 136 etot -8.3588E+01 mv 6 91 187 99 0 + 4 e 414 120 etot -7.6827E+01 mv 6 91 69 83 0 + 4 e 269 134 etot -8.5767E+01 mv 6 91 187 12 0 c 74 18.8 0.0 + 4 e 228 142 etot -8.3516E+01 mv 6 91 73 32 0 + 4 e 267 132 etot -8.4927E+01 mv 6 91 187 103 0 c 187 4.1 0.0 + 4 e 199 150 etot -7.4077E+01 mv 6 91 73 175 0 + 4 e 289 133 etot -8.4296E+01 mv 6 91 187 58 0 + -1 e 1 173 etot 1.3528E+20 mv 6 91 68 11 0 + -1 e 1 175 etot 1.3528E+20 mv 6 91 68 12 0 + 4 e 251 130 etot -8.3770E+01 mv 6 91 49 26 0 + 4 e 305 138 etot -7.6122E+01 mv 6 91 187 65 0 + 4 e 244 128 etot -7.9065E+01 mv 6 91 49 76 0 + -1 e 1 179 etot 1.3528E+20 mv 6 91 68 57 0 + -1 e 1 180 etot 1.3528E+20 mv 6 91 68 32 0 + 4 e 337 139 etot -8.4669E+01 mv 6 91 187 144 0 + 4 e 356 143 etot -7.3011E+01 mv 6 91 73 117 0 + 4 e 356 152 etot -8.4856E+01 mv 6 91 91 29 0 + 4 e 360 135 etot -8.7069E+01 mv 6 91 187 136 0 + 4 e 295 157 etot -7.9707E+01 mv 6 91 91 48 0 + 4 e 374 140 etot -8.4963E+01 mv 6 91 187 168 0 + 4 e 408 137 etot -8.5341E+01 mv 6 91 187 104 0 + 4 e 292 153 etot -8.3288E+01 mv 6 91 91 164 0 + 4 e 445 141 etot -7.4072E+01 mv 6 91 73 44 0 + 4 e 414 154 etot -8.1506E+01 mv 6 91 91 175 0 + 4 e 314 147 etot -8.3750E+01 mv 6 91 73 186 0 + 4 e 171 174 etot -8.3673E+01 mv 6 91 68 33 0 + 4 e 510 146 etot -7.4658E+01 mv 6 91 73 70 0 + -1 e 1 194 etot 1.3528E+20 mv 6 91 87 41 0 + 4 e 366 163 etot -8.5595E+01 mv 6 91 166 24 0 c 166 5.6 0.0 + -1 e 1 195 etot 1.3528E+20 mv 6 91 87 70 0 + 4 e 273 167 etot -7.2655E+01 mv 6 91 166 87 0 + 4 e 276 168 etot -8.5283E+01 mv 6 91 166 194 0 + 4 e 316 164 etot -7.7811E+01 mv 6 91 166 100 0 + 4 e 406 162 etot -7.4351E+01 mv 6 91 166 188 0 + 4 e 208 183 etot -8.3626E+01 mv 6 91 175 161 0 + 4 e 309 171 etot -7.7816E+01 mv 6 91 68 104 0 + 4 e 382 156 etot -7.6371E+01 mv 6 91 91 193 0 + 4 e 309 178 etot -7.0488E+01 mv 6 91 68 189 0 + 4 e 415 148 etot -7.4143E+01 mv 6 91 73 174 0 + 4 e 286 177 etot -8.1957E+01 mv 6 91 68 36 0 + 4 e 369 170 etot -8.5595E+01 mv 6 91 166 106 0 + 4 e 432 166 etot -8.4264E+01 mv 6 91 166 125 0 + 4 e 267 186 etot -8.6264E+01 mv 6 91 175 86 0 + -1 e 1 210 etot 1.3528E+20 mv 2 91 14 -125 0 + 4 e 237 188 etot -8.0500E+01 mv 6 91 175 147 0 + 4 e 335 172 etot -7.3715E+01 mv 6 91 68 63 0 + 4 e 348 182 etot -8.0526E+01 mv 6 91 175 85 0 + 4 e 315 187 etot -8.3625E+01 mv 6 91 175 10 0 + 4 e 255 190 etot -8.3625E+01 mv 6 91 175 163 0 + 4 e 195 196 etot -6.5122E+01 mv 6 91 87 52 0 + 4 e 183 197 etot -8.1626E+01 mv 6 91 87 73 0 + 4 e 285 191 etot -8.1484E+01 mv 6 91 87 190 0 + 4 e 143 200 etot -7.1275E+01 mv 6 91 87 61 0 + 4 e 404 181 etot -8.3290E+01 mv 6 91 175 53 0 + 4 e 316 176 etot -8.4481E+01 mv 6 91 68 85 0 + 4 e 182 203 etot -8.5080E+01 mv 2 91 109 -48 0 + 4 e 355 169 etot -7.9613E+01 mv 6 91 166 117 0 + 4 e 155 208 etot -8.5244E+01 mv 2 91 14 -48 0 c 14 1.4 0.0 + 4 e 249 192 etot -8.3479E+01 mv 6 91 87 32 0 + 4 e 464 159 etot -7.7574E+01 mv 6 91 91 33 0 + 4 e 295 199 etot -8.2997E+01 mv 6 91 87 71 0 + 4 e 483 184 etot -8.5722E+01 mv 6 91 175 143 0 + 4 e 288 189 etot -8.6660E+01 mv 6 91 175 23 0 + 4 e 326 201 etot -7.4437E+01 mv 2 91 109 -110 0 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-8.3672E+01 mv 2 91 68 -158 0 + 4 e 163 296 etot -8.3479E+01 mv 2 91 87 125 0 + 4 e 594 222 etot -7.1846E+01 mv 2 91 89 -154 0 + 4 e 287 269 etot -8.4621E+01 mv 2 91 187 85 0 + 4 e 328 284 etot -7.8177E+01 mv 2 91 166 -46 0 + 4 e 593 257 etot -8.1726E+01 mv 2 91 69 -136 0 + 4 e 299 273 etot -6.8799E+01 mv 2 91 73 -16 0 + 4 e 218 298 etot -6.9979E+01 mv 2 91 87 81 0 + -1 e 1 318 etot 1.3528E+20 mv 1 91 119 132 0 + 4 e 238 295 etot -8.3625E+01 mv 2 91 175 141 0 + 4 e 115 310 etot -7.1839E+01 mv 1 91 14 76 0 + 4 e 236 297 etot -7.4763E+01 mv 2 91 87 -52 0 + 4 e 304 276 etot -6.9168E+01 mv 2 91 91 -30 0 + 4 e 436 278 etot -7.0535E+01 mv 2 91 91 -82 0 + 4 e 574 265 etot -7.5971E+01 mv 2 91 49 -4 0 + 4 e 449 277 etot -7.2183E+01 mv 2 91 91 -162 0 + 8 e 19 323 etot -6.3985E+01 mv 1 91 89 -131 0 + 4 e 363 271 etot -7.6348E+01 mv 2 91 73 -144 0 + 4 e 571 268 etot -8.3586E+01 mv 2 91 187 172 0 + 4 e 349 275 etot -7.0439E+01 mv 2 91 73 -64 0 + 4 e 280 301 etot -8.5080E+01 mv 1 91 109 34 0 + 4 e 592 267 etot -8.2531E+01 mv 2 91 187 -118 0 + 4 e 266 307 etot -8.5243E+01 mv 1 91 14 -101 0 + 4 e 122 321 etot -8.4899E+01 mv 1 91 89 -93 0 + 4 e 210 311 etot -8.5142E+01 mv 1 91 7 179 0 + 4 e 192 315 etot -7.2080E+01 mv 1 91 7 -145 0 + 4 e 363 282 etot -7.3978E+01 mv 2 91 166 -32 0 + -1 e 1 337 etot 1.3528E+20 mv 1 91 156 -32 0 + 4 e 224 312 etot -8.5143E+01 mv 1 91 7 -75 0 + -1 e 1 339 etot 1.3528E+20 mv 1 91 156 -13 0 + 4 e 361 303 etot -8.5077E+01 mv 1 91 109 -20 0 + 4 e 389 299 etot -7.3601E+01 mv 2 91 87 -119 0 + 4 e 370 304 etot -7.6143E+01 mv 1 91 109 60 0 + 4 e 228 316 etot -8.8267E+01 mv 1 91 119 153 0 + 4 e 202 320 etot -8.8557E+01 mv 1 91 119 171 0 + 4 e 430 300 etot -8.3478E+01 mv 2 91 87 -137 0 + 4 e 329 309 etot -7.7126E+01 mv 1 91 14 -119 0 + 4 e 525 291 etot -8.1234E+01 mv 2 91 175 160 0 + 4 e 267 322 etot -8.4899E+01 mv 1 91 89 -32 0 + 4 e 210 329 etot -8.3919E+01 mv 1 91 126 144 0 + 4 e 476 302 etot -7.8330E+01 mv 1 91 109 -121 0 + 4 e 477 306 etot -8.1337E+01 mv 1 91 14 -118 0 + 4 e 325 319 etot -7.4486E+01 mv 1 91 119 111 0 + 4 e 242 332 etot -7.6712E+01 mv 1 91 60 198 0 + 4 e 271 331 etot -8.4753E+01 mv 1 91 60 -175 0 + 4 e 231 335 etot -8.4754E+01 mv 1 91 60 57 0 + 4 e 248 334 etot -8.4754E+01 mv 1 91 60 118 0 + 4 e 348 325 etot -8.4441E+01 mv 1 91 89 -35 0 + 4 e 235 328 etot -8.4817E+01 mv 1 91 126 24 0 + 4 e 217 345 etot -8.2775E+01 mv 1 91 186 -169 0 + 4 e 204 348 etot -8.4079E+01 mv 1 91 93 175 0 + 4 e 139 350 etot -8.4080E+01 mv 1 91 93 111 0 + 4 e 279 340 etot -8.2733E+01 mv 1 91 156 181 0 + 4 e 413 324 etot -7.0440E+01 mv 1 91 89 -30 0 + 4 e 340 333 etot -8.5729E+01 mv 1 91 60 -163 0 + -1 e 1 364 etot 1.3528E+20 mv 1 91 49 -3 0 + 4 e 290 336 etot -6.7239E+01 mv 1 91 156 -195 0 + 4 e 250 330 etot -8.4817E+01 mv 1 91 126 191 0 + 4 e 275 342 etot -7.9178E+01 mv 1 91 186 141 0 + -1 e 1 369 etot 1.3528E+20 mv 1 91 187 125 0 + 4 e 339 317 etot -8.8557E+01 mv 1 91 119 -49 0 + 4 e 297 346 etot -8.4079E+01 mv 1 91 93 -101 0 + 4 e 463 326 etot -8.1571E+01 mv 1 91 126 19 0 + 4 e 255 349 etot -8.2514E+01 mv 1 91 93 128 0 + -1 e 1 374 etot 1.3528E+20 mv 1 91 73 -156 0 + 4 e 370 341 etot -7.8938E+01 mv 1 91 186 127 0 + 4 e 415 314 etot -8.4126E+01 mv 1 91 7 -76 0 + 4 e 345 347 etot -8.4079E+01 mv 1 91 93 109 0 + 4 e 257 353 etot -8.3779E+01 mv 1 91 125 -3 0 + 4 e 148 360 etot -8.3777E+01 mv 1 91 69 100 0 + 4 e 458 313 etot -8.4708E+01 mv 1 91 7 146 0 + 4 e 301 338 etot -7.2915E+01 mv 1 91 156 -95 0 + 4 e 198 361 etot -8.3770E+01 mv 1 91 49 191 0 + 4 e 683 287 etot -7.5680E+01 mv 2 91 68 -76 0 + 4 e 289 356 etot -8.3389E+01 mv 1 91 69 100 0 + 4 e 169 372 etot -5.8507E+01 mv 1 91 73 -133 0 + 4 e 336 354 etot -8.3057E+01 mv 1 91 125 112 0 + 4 e 255 363 etot -8.3770E+01 mv 1 91 49 -136 0 + 8 e 231 367 etot -6.3988E+01 mv 1 91 187 137 0 + 4 e 401 351 etot -8.1334E+01 mv 1 91 125 -194 0 + 4 e 529 343 etot -7.5470E+01 mv 1 91 186 18 0 + 4 e 540 344 etot -7.9205E+01 mv 1 91 186 -162 0 + 4 e 210 359 etot -8.3777E+01 mv 1 91 69 40 0 + 4 e 461 327 etot -7.3765E+01 mv 1 91 126 -58 0 + 4 e 319 358 etot -8.1718E+01 mv 1 91 69 172 0 + 4 e 297 365 etot -7.8575E+01 mv 1 91 49 -122 0 + 4 e 368 355 etot -6.4275E+01 mv 1 91 125 -115 0 + 4 e 210 373 etot -8.3751E+01 mv 1 91 73 36 0 + 4 e 445 352 etot -8.2744E+01 mv 1 91 125 35 0 + 4 e 232 375 etot -8.3751E+01 mv 1 91 73 106 0 + 4 e 368 357 etot -8.3774E+01 mv 1 91 69 -31 0 + 4 e 214 368 etot -8.4927E+01 mv 1 91 187 -143 0 + 4 e 232 376 etot -8.3709E+01 mv 1 91 91 99 0 + 4 e 46 401 etot -8.5080E+01 mv 0 91 109 0 0 + 4 e 403 362 etot -7.2897E+01 mv 1 91 49 52 0 + 4 e 419 366 etot -7.5052E+01 mv 1 91 187 23 0 + 4 e 251 371 etot -8.3751E+01 mv 1 91 73 -108 0 + 4 e 138 390 etot -8.3673E+01 mv 1 91 68 98 0 + 4 e 277 378 etot -8.3709E+01 mv 1 91 91 80 0 + 4 e 273 380 etot -8.3475E+01 mv 1 91 91 122 0 + 4 e 130 395 etot -8.3626E+01 mv 1 91 175 41 0 + 4 e 410 370 etot -8.4925E+01 mv 1 91 187 -125 0 + 4 e 81 402 etot -8.5244E+01 mv 0 91 14 0 0 c 14 0.8 0.0 + 4 e 200 386 etot -8.3673E+01 mv 1 91 68 -15 0 + 4 e 12 411 etot -8.3779E+01 mv 0 91 125 0 0 c 125 0.0 0.0 + 4 e 15 412 etot -8.3778E+01 mv 0 91 69 0 0 c 69 0.0 0.0 + 4 e 14 413 etot -8.3770E+01 mv 0 91 49 0 0 c 49 0.0 0.0 + 4 e 173 392 etot -8.3625E+01 mv 1 91 175 142 0 + 4 e 58 410 etot -8.4080E+01 mv 0 91 93 0 0 c 93 0.2 0.0 + 4 e 22 416 etot -8.3710E+01 mv 0 91 91 0 0 c 91 0.0 0.0 +## N0 total= 20 close= 13 far= 0 %acc 65.0 +## N1 total= 100 close= 3 far= 0 %acc 3.0 +## N2 total= 100 close= 13 far= 0 %acc 13.0 +## N3 total= 0 close= 0 far= 0 %acc 0.0 +## N4 total= 0 close= 0 far= 0 %acc 0.0 +## N5 total= 0 close= 0 far= 0 %acc 0.0 +## N6 total= 200 close= 12 far= 1 %acc 6.5 +## N7 total= 0 close= 0 far= 0 %acc 0.0 +## N8 total= 0 close= 0 far= 0 %acc 0.0 +## N9 total= 0 close= 0 far= 0 %acc 0.0 +##N10 total= 0 close= 0 far= 0 %acc 0.0 +##N11 total= 0 close= 0 far= 0 %acc 0.0 +##N12 total= 0 close= 0 far= 0 %acc 0.0 +##N13 total= 0 close= 0 far= 0 %acc 0.0 +##N14 total= 0 close= 0 far= 0 %acc 0.0 +##N15 total= 0 close= 0 far= 0 %acc 0.0 +##N16 total= 0 close= 0 far= 0 %acc 0.0 +##N17 total= 0 close= 0 far= 0 %acc 0.0 +##N18 total= 0 close= 0 far= 0 %acc 0.0 + Time for refresh 92 0.27 + make_var : nseed= 20 ntry= 420 + Time for make trial 93 0.05 +Nonsetup time 179.07 sec, Eval/s = 65061.11 +Time for iter 93 1.77 sec, Eval/s = 68790.53 + UPDATING 420 + 4 e 69 408 etot -8.4247E+01 mv 0 91 156 0 0 c 156 0.8 0.0 + 4 e 118 404 etot -8.8558E+01 mv 0 91 119 0 0 + 4 e 344 400 etot -8.3479E+01 mv 1 91 87 -107 0 + 4 e 351 399 etot -8.2944E+01 mv 1 91 87 156 0 + 4 e 99 414 etot -8.4928E+01 mv 0 91 187 0 0 c 187 1.0 0.0 + 4 e 61 415 etot -8.3751E+01 mv 0 91 73 0 0 c 73 0.2 0.0 + 4 e 251 398 etot -8.3479E+01 mv 1 91 87 39 0 + 4 e 355 387 etot -8.0344E+01 mv 1 91 68 -81 0 + 4 e 301 385 etot -8.5595E+01 mv 1 91 166 62 0 c 166 3.5 0.0 + 4 e 182 403 etot -8.5143E+01 mv 0 91 7 0 0 + 4 e 735 383 etot -8.3123E+01 mv 1 91 166 85 0 + 4 e 240 397 etot -8.0310E+01 mv 1 91 87 42 0 + 4 e 273 396 etot -8.3479E+01 mv 1 91 87 135 0 + 4 e 18 418 etot -8.3673E+01 mv 0 91 68 0 0 c 68 0.0 0.0 + 4 e 130 405 etot -8.4899E+01 mv 0 91 89 0 0 + 4 e 145 409 etot -8.4035E+01 mv 0 91 186 0 0 + 4 e 37 420 etot -8.3479E+01 mv 0 91 87 0 0 c 87 0.1 0.0 + 4 e 256 391 etot -8.3625E+01 mv 1 91 175 161 0 + 4 e 290 388 etot -8.3672E+01 mv 1 91 68 134 0 + 4 e 13 419 etot -8.3626E+01 mv 0 91 175 0 0 c 175 0.0 0.0 + 4 e 114 406 etot -8.4817E+01 mv 0 91 126 0 0 + 4 e 247 389 etot -8.3672E+01 mv 1 91 68 174 0 + 4 e 378 379 etot -5.4717E+01 mv 1 91 91 -127 0 + -1 e 1 17 etot 1.3528E+20 mv 6 92 116 145 0 + 4 e 203 384 etot -5.8369E+01 mv 1 91 166 -79 0 + 4 e 430 382 etot -7.4762E+01 mv 1 91 166 -81 0 + 4 e 166 417 etot -8.5596E+01 mv 0 91 166 0 0 c 166 2.3 0.0 + 4 e 147 393 etot -8.3626E+01 mv 1 91 175 93 0 + 4 e 292 377 etot -8.2012E+01 mv 1 91 91 -57 0 + 4 e 250 394 etot -8.1410E+01 mv 1 91 175 2 0 + 4 e 102 407 etot -8.4754E+01 mv 0 91 60 0 0 + 4 e 540 381 etot -8.1834E+01 mv 1 91 166 142 0 + 4 e 10 6 etot -8.4341E+01 mv 6 92 106 133 0 c 133 0.0 0.0 + 4 e 2 25 etot -8.6119E+01 mv 6 92 60 128 0 + -1 e 1 28 etot 1.3528E+20 mv 6 92 60 20 0 + -1 e 1 32 etot 1.3528E+20 mv 6 92 89 88 0 + -1 e 1 33 etot 5.0153E+23 mv 6 92 89 24 0 + 4 e 112 8 etot -6.5233E+01 mv 6 92 106 159 0 + 4 e 125 24 etot -7.7296E+01 mv 6 92 60 5 0 + 4 e 157 30 etot -7.4584E+01 mv 6 92 60 126 0 + 4 e 175 18 etot -8.8207E+01 mv 6 92 116 101 0 + 4 e 196 5 etot -6.7402E+01 mv 6 92 106 1 0 + 4 e 239 31 etot -8.3591E+01 mv 6 92 89 31 0 + 4 e 247 12 etot -8.5091E+01 mv 6 92 116 113 0 + 4 e 255 27 etot -7.3242E+01 mv 6 92 60 22 0 + 4 e 317 4 etot -8.3966E+01 mv 6 92 106 157 0 + 4 e 334 7 etot -8.7652E+01 mv 6 92 106 88 0 + 4 e 278 21 etot -7.5121E+01 mv 6 92 60 165 0 + -1 e 1 48 etot 2.0370E+28 mv 6 92 182 41 0 + 4 e 27 44 etot -8.6870E+01 mv 6 92 182 43 0 c 43 0.0 0.0 + 4 e 302 26 etot -8.6529E+01 mv 6 92 60 23 0 + 4 e 290 23 etot -7.0158E+01 mv 6 92 60 138 0 + 4 e 305 11 etot -9.1041E+01 mv 6 92 116 193 0 + 4 e 307 20 etot -8.9526E+01 mv 6 92 116 81 0 + 4 e 335 9 etot -8.2621E+01 mv 6 92 106 54 0 + 4 e 342 29 etot -8.5394E+01 mv 6 92 60 74 0 + 4 e 359 22 etot -8.7236E+01 mv 6 92 60 15 0 c 60 6.7 0.0 + 4 e 373 16 etot -8.4251E+01 mv 6 92 116 170 0 + 4 e 368 13 etot -8.4698E+01 mv 6 92 116 191 0 + 4 e 303 42 etot -7.8175E+01 mv 6 92 182 1 0 + 4 e 451 37 etot -7.7586E+01 mv 6 92 89 141 0 + -1 e 1 61 etot 1.3528E+20 mv 6 92 10 118 0 + 4 e 383 2 etot -8.4055E+01 mv 6 92 106 144 0 + 4 e 377 36 etot -8.5244E+01 mv 6 92 89 38 0 c 89 89.5 0.1 + -1 e 1 64 etot 1.3528E+20 mv 6 92 10 173 0 + 4 e 346 35 etot -8.3469E+01 mv 6 92 89 105 0 + -1 e 1 66 etot 1.3528E+20 mv 6 92 10 42 0 + -1 e 1 67 etot 1.3528E+20 mv 6 92 10 4 0 + 4 e 459 3 etot -7.3862E+01 mv 6 92 106 93 0 + 4 e 466 10 etot -7.9531E+01 mv 6 92 106 154 0 + 4 e 400 34 etot -6.9953E+01 mv 6 92 89 74 0 + -1 e 1 71 etot 1.3528E+20 mv 6 92 7 141 0 + 4 e 361 39 etot -7.9723E+01 mv 6 92 89 49 0 + 4 e 517 19 etot -8.5054E+01 mv 6 92 116 30 0 + -1 e 1 74 etot 1.3528E+20 mv 6 92 7 26 0 + 4 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far= 0 %acc 7.0 +## N3 total= 0 close= 0 far= 0 %acc 0.0 +## N4 total= 0 close= 0 far= 0 %acc 0.0 +## N5 total= 0 close= 0 far= 0 %acc 0.0 +## N6 total= 200 close= 10 far= 0 %acc 5.0 +## N7 total= 0 close= 0 far= 0 %acc 0.0 +## N8 total= 0 close= 0 far= 0 %acc 0.0 +## N9 total= 0 close= 0 far= 0 %acc 0.0 +##N10 total= 0 close= 0 far= 0 %acc 0.0 +##N11 total= 0 close= 0 far= 0 %acc 0.0 +##N12 total= 0 close= 0 far= 0 %acc 0.0 +##N13 total= 0 close= 0 far= 0 %acc 0.0 +##N14 total= 0 close= 0 far= 0 %acc 0.0 +##N15 total= 0 close= 0 far= 0 %acc 0.0 +##N16 total= 0 close= 0 far= 0 %acc 0.0 +##N17 total= 0 close= 0 far= 0 %acc 0.0 +##N18 total= 0 close= 0 far= 0 %acc 0.0 + Time for refresh 93 0.29 + make_var : nseed= 20 ntry= 420 + Time for make trial 94 0.05 +Nonsetup time 180.83 sec, Eval/s = 65098.91 +Time for iter 94 1.77 sec, Eval/s = 68931.96 + UPDATING 420 + 4 e 346 391 etot -7.3817E+01 mv 1 92 120 -185 0 + 4 e 430 382 etot -6.9961E+01 mv 1 92 170 -57 0 + 4 e 440 390 etot -8.1245E+01 mv 1 92 142 -150 0 + 4 e 57 418 etot -8.3296E+01 mv 0 92 142 0 0 + 4 e 100 404 etot -8.5194E+01 mv 0 92 89 0 0 + 4 e 501 371 etot -8.4170E+01 mv 1 92 199 190 0 + 4 e 154 414 etot -8.6439E+01 mv 0 92 26 0 0 c 26 0.6 0.0 + 4 e 26 420 etot -8.3288E+01 mv 0 92 164 0 0 c 164 0.0 0.0 + 4 e 67 417 etot -8.3298E+01 mv 0 92 170 0 0 c 170 0.3 0.0 + -1 e 1 1 etot 1.3528E+20 mv 6 93 6 27 0 + 4 e 176 398 etot -8.3288E+01 mv 1 92 164 101 0 + -1 e 1 3 etot 1.3528E+20 mv 6 93 6 33 0 + 4 e 534 389 etot -7.2095E+01 mv 1 92 142 -34 0 + 4 e 485 397 etot -7.1013E+01 mv 1 92 164 -155 0 + 4 e 372 400 etot -7.0473E+01 mv 1 92 164 -38 0 + 4 e 479 379 etot -6.9103E+01 mv 1 92 151 -1 0 + 4 e 339 387 etot -8.3412E+01 mv 1 92 142 -58 0 c 142 2.2 0.0 + 4 e 331 399 etot -7.7854E+01 mv 1 92 164 -87 0 + 4 e 447 394 etot -7.9822E+01 mv 1 92 120 -154 0 + -1 e 1 13 etot 1.3528E+20 mv 6 93 31 167 0 + 4 e 275 392 etot -8.2043E+01 mv 1 92 120 -19 0 + 4 e 574 384 etot -8.3294E+01 mv 1 92 170 -183 0 + 4 e 120 403 etot -8.7237E+01 mv 0 92 60 0 0 c 60 1.2 0.0 + 4 e 139 409 etot -8.4094E+01 mv 0 92 186 0 0 c 186 1.3 0.0 + 4 e 110 407 etot -8.4104E+01 mv 0 92 10 0 0 c 10 1.2 0.0 + 4 e 88 419 etot -8.3505E+01 mv 0 92 120 0 0 c 120 0.9 0.0 + 4 e 129 405 etot -8.4634E+01 mv 0 92 182 0 0 + 4 e 585 349 etot -8.5120E+01 mv 1 92 113 158 0 + 4 e 49 408 etot -8.5286E+01 mv 0 92 7 0 0 c 7 0.4 0.0 + 4 e 338 377 etot -7.4274E+01 mv 1 92 151 130 0 + 4 e 153 406 etot -8.4297E+01 mv 0 92 58 0 0 c 58 1.0 0.0 + 4 e 99 416 etot -8.3341E+01 mv 0 92 151 0 0 c 151 2.3 0.0 + 4 e 87 401 etot -8.3966E+01 mv 0 92 106 0 0 c 106 0.4 0.0 + -1 e 1 28 etot 1.3528E+20 mv 6 93 67 61 0 + 4 e 374 366 etot -8.5919E+01 mv 1 92 26 -36 0 + 4 e 2 20 etot -8.7801E+01 mv 6 93 31 47 0 + 4 e 193 17 etot -8.3485E+01 mv 6 93 31 178 0 c 31 2.5 0.0 + -1 e 1 37 etot 1.3528E+20 mv 6 93 74 47 0 + 4 e 251 19 etot -8.3731E+01 mv 6 93 31 76 0 c 31 56.6 0.2 + 4 e 273 35 etot -8.7655E+01 mv 6 93 74 149 0 + 4 e 231 18 etot -8.0834E+01 mv 6 93 31 132 0 + 4 e 277 36 etot -8.2785E+01 mv 6 93 74 146 0 + 4 e 281 24 etot -9.0782E+01 mv 6 93 67 107 0 + 4 e 290 34 etot -8.5768E+01 mv 6 93 74 56 0 c 74 4.0 0.0 + 4 e 286 11 etot -8.3484E+01 mv 6 93 31 49 0 + 4 e 302 14 etot -8.2713E+01 mv 6 93 31 97 0 + 4 e 322 4 etot -7.4379E+01 mv 6 93 6 10 0 + 4 e 311 29 etot -9.0786E+01 mv 6 93 67 34 0 c 67 12.5 0.0 + 4 e 335 7 etot -6.4326E+01 mv 6 93 6 98 0 + 4 e 321 32 etot -8.5239E+01 mv 6 93 74 192 0 + 4 e 279 21 etot -9.0782E+01 mv 6 93 67 167 0 + -1 e 1 51 etot 1.3528E+20 mv 6 93 86 185 0 + 4 e 348 6 etot -8.5585E+01 mv 6 93 6 141 0 c 78 87.3 0.9 + 4 e 264 22 etot -8.7411E+01 mv 6 93 67 108 0 + -1 e 1 54 etot 1.3528E+20 mv 6 93 86 91 0 + 4 e 330 12 etot -8.6219E+01 mv 6 93 31 7 0 + 4 e 333 33 etot -8.9605E+01 mv 6 93 74 79 0 + 4 e 364 30 etot -9.0786E+01 mv 6 93 67 79 0 + 4 e 371 31 etot -8.1722E+01 mv 6 93 74 134 0 + 4 e 361 2 etot -8.3430E+01 mv 6 93 6 155 0 + 4 e 360 23 etot -8.9052E+01 mv 6 93 67 102 0 + 4 e 424 5 etot -6.9084E+01 mv 6 93 6 73 0 + 4 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-6.7802E+01 mv 6 93 89 189 0 + 4 e 362 53 etot -8.9072E+01 mv 6 93 86 37 0 + -1 e 1 85 etot 1.3528E+20 mv 6 93 113 146 0 + 4 e 213 60 etot -8.4834E+01 mv 6 93 86 96 0 + 4 e 570 25 etot -9.1993E+01 mv 6 93 67 98 0 + 4 e 298 43 etot -9.0900E+01 mv 6 93 84 10 0 + 4 e 318 65 etot -8.2239E+01 mv 6 93 89 133 0 + 4 e 223 64 etot -8.3467E+01 mv 6 93 89 44 0 + 4 e 201 68 etot -7.3161E+01 mv 6 93 89 69 0 + -1 e 1 92 etot 1.3528E+20 mv 6 93 117 46 0 + 4 e 289 57 etot -8.0289E+01 mv 6 93 86 188 0 + 4 e 321 50 etot -9.0900E+01 mv 6 93 84 158 0 + 4 e 335 69 etot -7.7275E+01 mv 6 93 89 79 0 + 4 e 660 16 etot -8.4242E+01 mv 6 93 31 163 0 + 4 e 370 56 etot -8.6570E+01 mv 6 93 86 143 0 + 4 e 208 79 etot -6.5847E+01 mv 6 93 112 16 0 + 4 e 18 99 etot -8.5229E+01 mv 6 93 117 95 0 c 95 0.0 0.0 + 4 e 307 72 etot -8.6687E+01 mv 6 93 112 126 0 c 112 83.1 0.6 + 4 e 502 62 etot -7.2701E+01 mv 6 93 89 194 0 + 4 e 403 48 etot -9.0899E+01 mv 6 93 84 139 0 + 4 e 531 41 etot -8.5098E+01 mv 6 93 84 143 0 + 4 e 283 77 etot -8.6038E+01 mv 6 93 112 172 0 + 4 e 209 86 etot -8.4151E+01 mv 6 93 113 42 0 + 4 e 345 66 etot -8.8269E+01 mv 6 93 89 59 0 + 4 e 175 93 etot -6.9871E+01 mv 6 93 117 108 0 + 4 e 458 46 etot -8.1796E+01 mv 6 93 84 112 0 + 4 e 544 63 etot -8.7898E+01 mv 6 93 89 46 0 c 89 5.5 0.0 + 4 e 292 81 etot -7.8520E+01 mv 6 93 113 165 0 + 4 e 186 88 etot -8.5078E+01 mv 6 93 113 114 0 + 4 e 224 80 etot -7.3553E+01 mv 6 93 112 140 0 + 4 e 426 74 etot -7.9433E+01 mv 6 93 112 184 0 + 4 e 224 89 etot -7.9663E+01 mv 6 93 113 25 0 + 4 e 365 83 etot -7.4821E+01 mv 6 93 113 186 0 + 4 e 285 90 etot -7.6743E+01 mv 6 93 113 64 0 + 4 e 343 70 etot -8.4169E+01 mv 6 93 89 20 0 + 4 e 132 105 etot -7.4299E+01 mv 6 93 126 172 0 + -1 e 1 119 etot 1.3335E+35 mv 6 93 142 98 0 + 4 e 224 96 etot -9.1338E+01 mv 6 93 117 82 0 + 4 e 347 84 etot -8.1896E+01 mv 6 93 113 137 0 + 4 e 247 100 etot -7.8200E+01 mv 6 93 117 55 0 + 4 e 424 78 etot -8.0611E+01 mv 6 93 112 145 0 + -1 e 1 124 etot 2.7574E+20 mv 6 93 172 92 0 + 4 e 303 97 etot -9.1338E+01 mv 6 93 117 106 0 + 4 e 202 108 etot -8.5078E+01 mv 6 93 126 112 0 + 4 e 267 104 etot -7.5909E+01 mv 6 93 126 70 0 + 4 e 186 112 etot -7.2977E+01 mv 6 93 142 6 0 + -1 e 1 128 etot 1.3528E+20 mv 6 93 172 116 0 + 4 e 311 101 etot -8.5078E+01 mv 6 93 126 63 0 + 4 e 306 91 etot -9.1338E+01 mv 6 93 117 101 0 + 4 e 331 102 etot -8.0792E+01 mv 6 93 126 155 0 + -1 e 1 133 etot 1.3528E+20 mv 6 93 179 64 0 + 4 e 154 117 etot -7.6554E+01 mv 6 93 142 81 0 + 4 e 323 95 etot -9.1338E+01 mv 6 93 117 63 0 + 4 e 452 76 etot -7.9960E+01 mv 6 93 112 155 0 + 4 e 536 87 etot -8.4258E+01 mv 6 93 113 192 0 + 4 e 585 75 etot -8.5061E+01 mv 6 93 112 15 0 + 4 e 357 106 etot -8.1273E+01 mv 6 93 126 80 0 + 4 e 104 129 etot -8.5060E+01 mv 6 93 172 181 0 + 4 e 351 111 etot -8.0745E+01 mv 6 93 142 130 0 + -1 e 1 142 etot 1.3528E+20 mv 6 93 182 175 0 + 4 e 373 110 etot -8.0317E+01 mv 6 93 126 166 0 + 4 e 627 58 etot -8.5813E+01 mv 6 93 86 39 0 + 4 e 197 126 etot -8.4873E+01 mv 6 93 172 52 0 c 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etot -7.3264E+01 mv 6 93 182 93 0 + 4 e 240 163 etot -9.0761E+01 mv 6 93 24 66 0 + -1 e 1 188 etot 1.3528E+20 mv 6 93 196 177 0 + 4 e 297 158 etot -8.4239E+01 mv 6 93 15 127 0 + 4 e 401 146 etot -7.7258E+01 mv 6 93 182 155 0 + 4 e 202 168 etot -8.8979E+01 mv 6 93 24 48 0 + 4 e 500 140 etot -8.4692E+01 mv 6 93 179 66 0 + 4 e 367 137 etot -8.4694E+01 mv 6 93 179 12 0 + 4 e 308 152 etot -8.7236E+01 mv 6 93 15 60 0 + 4 e 455 153 etot -8.1618E+01 mv 6 93 15 11 0 + 4 e 235 171 etot -7.2403E+01 mv 6 93 184 37 0 + 4 e 153 184 etot -7.9284E+01 mv 6 93 196 180 0 + 4 e 331 150 etot -8.3285E+01 mv 6 93 182 99 0 + 4 e 307 172 etot -8.5519E+01 mv 6 93 184 79 0 + 4 e 410 161 etot -8.0284E+01 mv 6 93 24 119 0 + 4 e 245 180 etot -9.0193E+01 mv 6 93 184 164 0 + 4 e 312 178 etot -7.5978E+01 mv 6 93 184 44 0 + 4 e 256 181 etot -7.7976E+01 mv 6 93 196 151 0 + 4 e 351 174 etot -7.7723E+01 mv 6 93 184 80 0 + 4 e 362 173 etot -9.0193E+01 mv 6 93 184 111 0 + 4 e 196 192 etot -9.0745E+01 mv 6 93 119 41 0 + 4 e 507 160 etot -8.3462E+01 mv 6 93 15 132 0 + 4 e 462 167 etot -7.9617E+01 mv 6 93 24 145 0 + 4 e 322 182 etot -8.6140E+01 mv 6 93 196 75 0 + 4 e 363 164 etot -9.0746E+01 mv 6 93 24 26 0 + 4 e 314 190 etot -7.8076E+01 mv 6 93 196 46 0 + -1 e 1 212 etot 1.3528E+20 mv 2 93 67 139 0 + 4 e 456 175 etot -8.6796E+01 mv 6 93 184 57 0 + 4 e 266 193 etot -7.9403E+01 mv 6 93 119 191 0 + 4 e 152 200 etot -8.8558E+01 mv 6 93 119 156 0 + 4 e 238 196 etot -8.8557E+01 mv 6 93 119 79 0 + 4 e 254 197 etot -7.0232E+01 mv 6 93 119 38 0 + 4 e 363 186 etot -8.8870E+01 mv 6 93 196 175 0 + 4 e 312 179 etot -7.9004E+01 mv 6 93 184 196 0 + 4 e 564 166 etot -8.2037E+01 mv 6 93 24 116 0 + 4 e 176 199 etot -8.8267E+01 mv 6 93 119 200 0 + 4 e 410 183 etot -8.7850E+01 mv 6 93 196 116 0 + 4 e 127 208 etot -7.1188E+01 mv 2 93 31 165 0 + 4 e 257 187 etot -8.6659E+01 mv 6 93 196 53 0 + 4 e 340 177 etot -8.3448E+01 mv 6 93 184 100 0 + 4 e 315 198 etot -7.5643E+01 mv 6 93 119 28 0 + 4 e 449 189 etot -8.8559E+01 mv 6 93 196 143 0 + -1 e 1 228 etot 1.3528E+20 mv 2 93 86 -121 0 + 4 e 481 185 etot -8.8869E+01 mv 6 93 196 30 0 + 4 e 199 210 etot -8.2017E+01 mv 2 93 31 194 0 + 4 e 299 202 etot -7.2158E+01 mv 2 93 6 149 0 + 4 e 473 191 etot -8.3202E+01 mv 6 93 119 55 0 + 4 e 258 207 etot -7.1853E+01 mv 2 93 31 134 0 + 4 e 344 201 etot -8.1879E+01 mv 2 93 6 -33 0 + 4 e 288 195 etot -8.6072E+01 mv 6 93 119 163 0 + 4 e 312 206 etot -8.3484E+01 mv 2 93 31 -78 0 + 4 e 207 215 etot -9.0783E+01 mv 2 93 67 72 0 + 4 e 207 213 etot -7.6546E+01 mv 2 93 67 -56 0 + 4 e 337 205 etot -8.2074E+01 mv 2 93 6 -76 0 + 4 e 339 194 etot -8.6567E+01 mv 6 93 119 184 0 + 4 e 212 221 etot -9.0900E+01 mv 2 93 84 -137 0 + 4 e 398 204 etot -8.3286E+01 mv 2 93 6 -48 0 + 4 e 430 203 etot -6.5546E+01 mv 2 93 6 146 0 + -1 e 1 244 etot 1.3528E+20 mv 2 93 113 24 0 + 4 e 575 169 etot -8.5618E+01 mv 6 93 24 45 0 + 4 e 311 224 etot -8.4947E+01 mv 2 93 84 -49 0 + 4 e 433 209 etot -6.7079E+01 mv 2 93 31 -131 0 + 4 e 185 238 etot -8.6039E+01 mv 2 93 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214 etot -6.9853E+01 mv 2 93 67 -22 0 + 4 e 168 253 etot -8.5408E+01 mv 2 93 126 16 0 c 126 3.5 0.0 + 4 e 195 252 etot -6.7912E+01 mv 2 93 126 -105 0 + 4 e 301 248 etot -9.1404E+01 mv 2 93 117 -132 0 + 4 e 145 263 etot -8.4874E+01 mv 2 93 172 -87 0 c 172 1.3 0.0 + -1 e 1 274 etot 1.3528E+20 mv 2 93 182 -62 0 + 4 e 377 225 etot -8.8986E+01 mv 2 93 84 45 0 + 4 e 153 265 etot -8.4874E+01 mv 2 93 172 6 0 c 172 1.1 0.0 + 4 e 493 239 etot -7.5305E+01 mv 2 93 112 -78 0 + 4 e 481 242 etot -7.9294E+01 mv 2 93 113 -149 0 + 4 e 328 249 etot -9.1404E+01 mv 2 93 117 141 0 + 4 e 645 227 etot -8.2153E+01 mv 2 93 86 93 0 + 4 e 277 255 etot -8.4817E+01 mv 2 93 126 7 0 + 4 e 312 250 etot -9.0091E+01 mv 2 93 117 -176 0 + 4 e 421 226 etot -8.9247E+01 mv 2 93 86 166 0 + -1 e 1 284 etot 1.3528E+20 mv 2 93 24 100 0 + 4 e 257 268 etot -7.3554E+01 mv 2 93 179 -29 0 + 4 e 332 257 etot -7.1985E+01 mv 2 93 142 90 0 + 4 e 108 276 etot -8.4472E+01 mv 2 93 15 127 0 + 4 e 308 267 etot -8.1570E+01 mv 2 93 179 57 0 + 4 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etot -8.3996E+01 mv 2 93 184 181 0 + 4 e 180 320 etot -8.5768E+01 mv 1 93 74 102 0 c 74 3.1 0.0 + 4 e 543 261 etot -7.8548E+01 mv 2 93 172 170 0 + 4 e 351 302 etot -8.0488E+01 mv 1 93 6 -46 0 + 4 e 228 318 etot -8.5768E+01 mv 1 93 74 193 0 c 74 2.3 0.0 + 4 e 350 303 etot -8.2465E+01 mv 1 93 6 86 0 + 4 e 321 308 etot -8.3731E+01 mv 1 93 31 -65 0 + 4 e 350 309 etot -8.2742E+01 mv 1 93 31 -107 0 + 4 e 237 322 etot -9.0900E+01 mv 1 93 84 66 0 + 4 e 493 294 etot -8.0631E+01 mv 2 93 196 167 0 + 4 e 386 307 etot -7.9881E+01 mv 1 93 31 -28 0 + 4 e 260 323 etot -7.6035E+01 mv 1 93 84 115 0 + 4 e 222 325 etot -7.4023E+01 mv 1 93 84 -77 0 + 4 e 366 293 etot -8.8826E+01 mv 2 93 196 113 0 + 4 e 619 266 etot -8.3617E+01 mv 2 93 179 -91 0 + 4 e 455 306 etot -8.3543E+01 mv 1 93 31 -105 0 + 4 e 259 317 etot -8.5768E+01 mv 1 93 74 -5 0 + 4 e 148 327 etot -7.5905E+01 mv 1 93 86 -10 0 + -1 e 1 348 etot 1.3528E+20 mv 1 93 117 153 0 + 4 e 403 314 etot -8.8348E+01 mv 1 93 67 -198 0 + 4 e 177 332 etot 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0.0 + 4 e 226 353 etot -8.5408E+01 mv 1 93 126 -146 0 c 126 1.1 0.0 + 4 e 260 350 etot -8.5783E+01 mv 1 93 117 142 0 + 4 e 520 305 etot -8.1554E+01 mv 1 93 6 -65 0 + 4 e 703 311 etot -9.1176E+01 mv 1 93 67 136 0 + 4 e 381 340 etot -7.0975E+01 mv 1 93 112 155 0 + 4 e 214 356 etot -8.3413E+01 mv 1 93 142 85 0 + 4 e 480 335 etot -8.7896E+01 mv 1 93 89 -18 0 + 4 e 438 338 etot -8.6037E+01 mv 1 93 112 -110 0 + 4 e 239 355 etot -8.3403E+01 mv 1 93 126 187 0 + 4 e 363 333 etot -8.7872E+01 mv 1 93 89 168 0 + 4 e 251 349 etot -9.1054E+01 mv 1 93 117 -43 0 + -1 e 1 382 etot 1.3528E+20 mv 1 93 24 -161 0 + 4 e 169 366 etot -8.4445E+01 mv 1 93 179 -15 0 + 4 e 495 342 etot -8.1848E+01 mv 1 93 113 -55 0 + 4 e 288 357 etot -8.0365E+01 mv 1 93 142 -62 0 + 4 e 320 347 etot -9.1338E+01 mv 1 93 117 87 0 + 4 e 315 358 etot -8.3412E+01 mv 1 93 142 131 0 + 4 e 588 337 etot -8.6038E+01 mv 1 93 112 164 0 + 4 e 166 361 etot -8.4874E+01 mv 1 93 172 -139 0 c 172 0.9 0.0 + 4 e 240 362 etot -8.4296E+01 mv 1 93 172 76 0 + 4 e 217 372 etot -7.1588E+01 mv 1 93 182 89 0 + 4 e 633 313 etot -8.6031E+01 mv 1 93 67 10 0 + 4 e 266 367 etot -8.0506E+01 mv 1 93 179 160 0 + 4 e 229 376 etot -6.5089E+01 mv 1 93 15 -54 0 + 4 e 236 375 etot -8.5055E+01 mv 1 93 182 81 0 c 182 2.1 0.0 + 4 e 463 354 etot -8.0870E+01 mv 1 93 126 -175 0 + 4 e 513 352 etot -8.5405E+01 mv 1 93 126 -60 0 + 4 e 326 363 etot -8.2841E+01 mv 1 93 172 -144 0 + 4 e 134 381 etot -9.0761E+01 mv 1 93 24 -110 0 + 4 e 186 380 etot -8.4472E+01 mv 1 93 15 -149 0 + 4 e 200 370 etot -7.9984E+01 mv 1 93 179 -192 0 + 4 e 370 360 etot -7.8268E+01 mv 1 93 142 -122 0 + 4 e 272 377 etot -7.2821E+01 mv 1 93 15 150 0 + 4 e 33 401 etot -8.3286E+01 mv 0 93 6 0 0 c 6 0.0 0.0 + 4 e 274 379 etot -8.0979E+01 mv 1 93 15 -57 0 + 4 e 196 385 etot -9.0761E+01 mv 1 93 24 -87 0 + 4 e 252 374 etot -6.5976E+01 mv 1 93 182 1 0 + 4 e 38 405 etot -9.0901E+01 mv 0 93 84 0 0 c 84 0.1 0.0 + 4 e 14 406 etot -8.9248E+01 mv 0 93 86 0 0 c 86 0.0 0.0 + 4 e 222 384 etot -7.9186E+01 mv 1 93 24 -55 0 + 4 e 488 359 etot -8.3617E+01 mv 1 93 142 -20 0 c 142 250.8 0.0 + 4 e 77 403 etot -9.0783E+01 mv 0 93 67 0 0 + 4 e 408 369 etot -7.6592E+01 mv 1 93 179 10 0 + 4 e 189 389 etot -8.9909E+01 mv 1 93 184 104 0 + 4 e 156 396 etot -8.8558E+01 mv 1 93 119 26 0 + 4 e 2 416 etot -8.4472E+01 mv 0 93 15 0 0 + 4 e 107 402 etot -8.3485E+01 mv 0 93 31 0 0 + 4 e 2 417 etot -9.0761E+01 mv 0 93 24 0 0 + 4 e 256 386 etot -7.3707E+01 mv 1 93 184 32 0 +## N0 total= 21 close= 14 far= 0 %acc 66.7 +## N1 total= 99 close= 8 far= 0 %acc 8.1 +## N2 total= 100 close= 4 far= 0 %acc 4.0 +## N3 total= 0 close= 0 far= 0 %acc 0.0 +## N4 total= 0 close= 0 far= 0 %acc 0.0 +## N5 total= 0 close= 0 far= 0 %acc 0.0 +## N6 total= 200 close= 14 far= 0 %acc 7.0 +## N7 total= 0 close= 0 far= 0 %acc 0.0 +## N8 total= 0 close= 0 far= 0 %acc 0.0 +## N9 total= 0 close= 0 far= 0 %acc 0.0 +##N10 total= 0 close= 0 far= 0 %acc 0.0 +##N11 total= 0 close= 0 far= 0 %acc 0.0 +##N12 total= 0 close= 0 far= 0 %acc 0.0 +##N13 total= 0 close= 0 far= 0 %acc 0.0 +##N14 total= 0 close= 0 far= 0 %acc 0.0 +##N15 total= 0 close= 0 far= 0 %acc 0.0 +##N16 total= 0 close= 0 far= 0 %acc 0.0 +##N17 total= 0 close= 0 far= 0 %acc 0.0 +##N18 total= 0 close= 0 far= 0 %acc 0.0 + Time for refresh 94 0.27 + make_var : nseed= 20 ntry= 420 + Time for make trial 95 0.11 +Nonsetup time 182.68 sec, Eval/s = 65122.33 +Time for iter 95 1.85 sec, Eval/s = 67414.60 + UPDATING 420 + 4 e 455 391 etot -8.1744E+01 mv 1 93 196 51 0 + 4 e 52 414 etot -8.4694E+01 mv 0 93 179 0 0 c 179 0.2 0.0 + 4 e 10 419 etot -8.8871E+01 mv 0 93 196 0 0 c 196 0.0 0.0 + 4 e 141 407 etot -8.7899E+01 mv 0 93 89 0 0 c 89 2.2 0.0 + 4 e 198 398 etot -8.6047E+01 mv 1 93 119 83 0 + 4 e 341 397 etot -8.5635E+01 mv 1 93 119 -38 0 + 4 e 481 394 etot -8.8870E+01 mv 1 93 196 152 0 + 4 e 612 392 etot -8.3390E+01 mv 1 93 196 -191 0 + 4 e 56 420 etot -8.8558E+01 mv 0 93 119 0 0 c 119 0.3 0.0 + 4 e 175 413 etot -8.4874E+01 mv 0 93 172 0 0 c 172 0.3 0.0 + -1 e 1 3 etot 1.3528E+20 mv 6 94 22 29 0 + 4 e 111 411 etot -8.5408E+01 mv 0 93 126 0 0 c 126 1.1 0.0 + 4 e 119 404 etot -8.5768E+01 mv 0 93 74 0 0 c 74 0.8 0.0 + 4 e 205 399 etot -8.8266E+01 mv 1 93 119 35 0 + 4 e 684 378 etot -8.1771E+01 mv 1 93 15 -187 0 + 4 e 110 415 etot -8.5055E+01 mv 0 93 182 0 0 c 182 1.0 0.0 + 4 e 490 364 etot -7.2915E+01 mv 1 93 172 -109 0 + 4 e 511 395 etot -8.8869E+01 mv 1 93 196 171 0 + 4 e 573 373 etot -7.9562E+01 mv 1 93 182 74 0 + 4 e 86 410 etot -9.1405E+01 mv 0 93 117 0 0 c 117 1.0 0.0 + 4 e 96 409 etot -8.5120E+01 mv 0 93 113 0 0 c 113 0.8 0.0 + 4 e 141 412 etot -8.3413E+01 mv 0 93 142 0 0 + 4 e 270 388 etot -9.0193E+01 mv 1 93 184 81 0 + 4 e 66 418 etot -9.0194E+01 mv 0 93 184 0 0 c 184 0.1 0.0 + -1 e 1 16 etot 1.3528E+20 mv 6 94 31 52 0 + 4 e 353 393 etot -8.8870E+01 mv 1 93 196 146 0 + 4 e 472 400 etot -8.6757E+01 mv 1 93 119 106 0 + 4 e 563 365 etot -8.1142E+01 mv 1 93 172 -123 0 + 4 e 333 383 etot -9.0746E+01 mv 1 93 24 78 0 + 4 e 545 371 etot -7.5752E+01 mv 1 93 182 88 0 + 4 e 301 390 etot -9.0192E+01 mv 1 93 184 -34 0 + 4 e 102 408 etot -8.6039E+01 mv 0 93 112 0 0 + 4 e 351 387 etot -8.6975E+01 mv 1 93 184 127 0 + -1 e 1 27 etot 1.3528E+20 mv 6 94 78 167 0 + 4 e 10 10 etot -8.5580E+01 mv 6 94 22 198 0 c 198 0.0 0.0 + 4 e 10 24 etot -8.3626E+01 mv 6 94 78 175 0 c 175 0.0 0.0 + 4 e 202 29 etot -7.4853E+01 mv 6 94 78 176 0 + 4 e 201 35 etot -7.2553E+01 mv 6 94 112 79 0 + 4 e 238 7 etot -8.6895E+01 mv 6 94 22 35 0 c 22 2.6 0.0 + 4 e 233 22 etot -7.5870E+01 mv 6 94 78 194 0 + 4 e 237 26 etot -7.5263E+01 mv 6 94 78 164 0 + -1 e 1 40 etot 1.3528E+20 mv 6 94 112 149 0 + -1 e 1 42 etot 2.4708E+21 mv 6 94 142 139 0 + 4 e 238 9 etot -8.6264E+01 mv 6 94 22 175 0 + 4 e 272 4 etot -8.3747E+01 mv 6 94 22 121 0 + 4 e 248 14 etot -7.5979E+01 mv 6 94 31 135 0 + 4 e 320 5 etot -8.6895E+01 mv 6 94 22 113 0 + 4 e 280 28 etot -6.9363E+01 mv 6 94 78 174 0 + 4 e 283 18 etot -8.3731E+01 mv 6 94 31 195 0 + 4 e 301 1 etot -7.9778E+01 mv 6 94 22 82 0 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etot -7.4514E+01 mv 6 94 112 135 0 + 4 e 480 20 etot -8.3041E+01 mv 6 94 31 73 0 + -1 e 1 73 etot 1.3528E+20 mv 6 94 24 19 0 + 4 e 483 13 etot -7.9456E+01 mv 6 94 31 105 0 + 4 e 495 25 etot -8.3249E+01 mv 6 94 78 46 0 + 4 e 613 12 etot -8.3738E+01 mv 6 94 31 165 0 + -1 e 1 77 etot 1.3528E+20 mv 6 94 24 19 0 + -1 e 1 78 etot 1.3528E+20 mv 6 94 24 88 0 + 4 e 393 38 etot -7.1770E+01 mv 6 94 112 154 0 + 4 e 272 46 etot -8.0488E+01 mv 6 94 142 119 0 + 4 e 293 43 etot -7.8861E+01 mv 6 94 142 5 0 + 4 e 298 41 etot -7.9979E+01 mv 6 94 142 114 0 + 4 e 209 67 etot -8.4792E+01 mv 6 94 104 111 0 + 4 e 378 49 etot -7.5210E+01 mv 6 94 142 171 0 + 4 e 409 37 etot -6.8932E+01 mv 6 94 112 126 0 + 4 e 604 31 etot -7.6350E+01 mv 6 94 112 91 0 + 4 e 206 72 etot -8.9200E+01 mv 6 94 24 8 0 + 4 e 473 51 etot -8.1339E+01 mv 6 94 47 181 0 + 4 e 368 54 etot -8.3348E+01 mv 6 94 47 164 0 + 4 e 361 50 etot -7.5457E+01 mv 6 94 142 178 0 + 4 e 304 57 etot -8.4159E+01 mv 6 94 47 156 0 + 4 e 337 52 etot -7.6492E+01 mv 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etot -8.8754E+01 mv 6 94 161 129 0 + 4 e 126 127 etot -8.7781E+01 mv 6 94 36 124 0 + -1 e 1 136 etot 1.3528E+20 mv 6 94 168 67 0 + 4 e 2 137 etot -8.6119E+01 mv 6 94 168 128 0 + 4 e 513 89 etot -8.3958E+01 mv 6 94 107 177 0 + 4 e 12 138 etot -8.3346E+01 mv 6 94 168 199 0 c 199 0.0 0.0 + 4 e 393 99 etot -7.5388E+01 mv 6 94 196 189 0 + 4 e 223 121 etot -8.8215E+01 mv 6 94 36 69 0 + 4 e 272 100 etot -8.8871E+01 mv 6 94 196 44 0 + -1 e 1 142 etot 1.3528E+20 mv 6 94 1 174 0 + 4 e 375 104 etot -9.0384E+01 mv 6 94 59 126 0 + 4 e 191 126 etot -6.8642E+01 mv 6 94 36 16 0 + 4 e 423 101 etot -7.9514E+01 mv 6 94 59 180 0 + 4 e 173 129 etot -8.7772E+01 mv 6 94 36 22 0 + 4 e 321 115 etot -8.6085E+01 mv 6 94 161 52 0 + 4 e 420 107 etot -8.8190E+01 mv 6 94 59 3 0 + 4 e 338 117 etot -8.1918E+01 mv 6 94 161 188 0 + -1 e 1 151 etot 1.3528E+20 mv 6 94 124 174 0 + 4 e 330 119 etot -7.3940E+01 mv 6 94 161 89 0 + 4 e 373 96 etot -8.5021E+01 mv 6 94 196 52 0 + 4 e 211 124 etot -8.1742E+01 mv 6 94 36 125 0 + 4 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etot -8.3180E+01 mv 2 94 24 -172 0 + 4 e 321 253 etot -8.8270E+01 mv 2 94 59 101 0 + 4 e 281 246 etot -8.8871E+01 mv 2 94 196 123 0 + 4 e 553 232 etot -7.6818E+01 mv 2 94 104 -106 0 + 4 e 257 266 etot -8.9445E+01 mv 2 94 168 -118 0 + 4 e 408 251 etot -8.1194E+01 mv 2 94 59 -42 0 + 4 e 412 252 etot -7.4806E+01 mv 2 94 59 -179 0 + 4 e 385 255 etot -8.8270E+01 mv 2 94 59 134 0 + 4 e 409 250 etot -8.8001E+01 mv 2 94 196 -129 0 + 4 e 255 271 etot -8.8114E+01 mv 2 94 1 29 0 + 4 e 403 259 etot -8.5368E+01 mv 2 94 161 -27 0 + 4 e 286 258 etot -8.9073E+01 mv 2 94 161 1 0 + 4 e 224 275 etot -7.3276E+01 mv 2 94 1 -135 0 + 4 e 267 265 etot -8.8215E+01 mv 2 94 36 143 0 + 4 e 272 267 etot -6.8642E+01 mv 2 94 168 -41 0 + 4 e 513 254 etot -7.6296E+01 mv 2 94 59 -66 0 + 4 e 219 279 etot -8.8097E+01 mv 2 94 124 117 0 + 4 e 287 274 etot -7.5889E+01 mv 2 94 1 28 0 + 4 e 457 260 etot -7.9064E+01 mv 2 94 161 18 0 + 4 e 357 273 etot -7.3591E+01 mv 2 94 1 68 0 + 4 e 596 245 etot -8.9282E+01 mv 2 94 107 94 0 + 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e 1 302 etot 1.3528E+20 mv 1 94 22 148 0 + 4 e 287 297 etot -7.7027E+01 mv 2 94 174 74 0 + 4 e 271 300 etot -8.7411E+01 mv 2 94 174 145 0 + 4 e 446 287 etot -7.3107E+01 mv 2 94 88 -154 0 + 4 e 406 289 etot -8.3387E+01 mv 2 94 88 54 0 + 4 e 395 292 etot -6.5872E+01 mv 2 94 183 -191 0 + 4 e 488 288 etot -7.8552E+01 mv 2 94 88 168 0 + 4 e 220 309 etot -7.4321E+01 mv 1 94 31 119 0 + 4 e 199 315 etot -8.4129E+01 mv 1 94 78 -125 0 + 4 e 150 320 etot -8.5954E+01 mv 1 94 112 187 0 + 4 e 284 308 etot -8.3731E+01 mv 1 94 31 123 0 + 4 e 182 316 etot -8.4772E+01 mv 1 94 112 -153 0 + 4 e 344 291 etot -7.8213E+01 mv 2 94 183 29 0 + 4 e 458 295 etot -8.2825E+01 mv 2 94 183 -150 0 + 4 e 342 293 etot -7.5343E+01 mv 2 94 183 47 0 + 4 e 596 285 etot -8.1636E+01 mv 2 94 200 -30 0 + 4 e 225 318 etot -8.6688E+01 mv 1 94 112 -18 0 c 112 1.7 0.0 + -1 e 1 337 etot 1.3528E+20 mv 1 94 24 16 0 + 4 e 340 294 etot -8.7426E+01 mv 2 94 183 -173 0 + 4 e 507 299 etot -7.2177E+01 mv 2 94 174 129 0 + 4 e 267 322 etot -8.4022E+01 mv 1 94 142 -146 0 c 142 41.9 0.4 + 4 e 539 298 etot -7.8831E+01 mv 2 94 174 -155 0 + -1 e 1 342 etot 1.3528E+20 mv 1 94 107 -145 0 + 4 e 501 282 etot -8.0956E+01 mv 2 94 200 86 0 + -1 e 1 344 etot 1.3528E+20 mv 1 94 107 140 0 + 4 e 376 310 etot -7.9760E+01 mv 1 94 31 33 0 + 4 e 289 321 etot -8.3625E+01 mv 1 94 142 149 0 + -1 e 1 347 etot 1.3528E+20 mv 1 94 196 102 0 + 4 e 339 305 etot -7.9610E+01 mv 1 94 22 10 0 + 4 e 253 326 etot -8.6313E+01 mv 1 94 47 89 0 + 4 e 509 307 etot -7.0369E+01 mv 1 94 31 -183 0 + 4 e 187 332 etot -9.2543E+01 mv 1 94 104 -18 0 + 4 e 213 329 etot -7.5009E+01 mv 1 94 47 190 0 + 4 e 542 306 etot -7.9958E+01 mv 1 94 31 -2 0 + -1 e 1 354 etot 1.3528E+20 mv 1 94 59 -160 0 + 4 e 246 327 etot -7.8010E+01 mv 1 94 47 192 0 + 4 e 403 319 etot -8.6686E+01 mv 1 94 112 16 0 + -1 e 1 357 etot 1.3528E+20 mv 1 94 161 194 0 + -1 e 1 358 etot 1.3528E+20 mv 1 94 161 179 0 + 4 e 506 312 etot -8.4126E+01 mv 1 94 78 -24 0 + 4 e 365 325 etot -8.3624E+01 mv 1 94 142 -187 0 + 4 e 306 328 etot -8.7800E+01 mv 1 94 47 -165 0 + 4 e 494 313 etot -8.4452E+01 mv 1 94 78 2 0 + 4 e 229 336 etot -9.0761E+01 mv 1 94 24 90 0 + -1 e 1 364 etot 1.3528E+20 mv 1 94 36 -93 0 + 4 e 290 331 etot -9.2115E+01 mv 1 94 104 -195 0 + 4 e 468 304 etot -7.8469E+01 mv 1 94 22 -145 0 + 4 e 271 338 etot -8.5532E+01 mv 1 94 24 -150 0 + 4 e 249 340 etot -9.0001E+01 mv 1 94 24 69 0 + -1 e 1 369 etot 1.3528E+20 mv 1 94 168 -99 0 + 4 e 319 334 etot -9.1342E+01 mv 1 94 104 -141 0 + 4 e 254 341 etot -8.5571E+01 mv 1 94 107 -135 0 + 4 e 196 350 etot -8.8871E+01 mv 1 94 196 -77 0 + 4 e 234 348 etot -8.8827E+01 mv 1 94 196 -11 0 + 4 e 114 363 etot -8.8215E+01 mv 1 94 36 152 0 + 4 e 256 351 etot -8.3876E+01 mv 1 94 59 -152 0 + 4 e 457 330 etot -8.7799E+01 mv 1 94 47 -131 0 + 4 e 189 361 etot -8.8215E+01 mv 1 94 36 11 0 + 4 e 565 324 etot -7.9839E+01 mv 1 94 142 -138 0 + 4 e 250 356 etot -8.9075E+01 mv 1 94 161 24 0 + 4 e 223 360 etot -8.9075E+01 mv 1 94 161 -12 0 + 4 e 490 314 etot -7.9940E+01 mv 1 94 78 -150 0 + 4 e 370 346 etot -8.8560E+01 mv 1 94 196 -135 0 + 4 e 308 335 etot -8.7201E+01 mv 1 94 104 -44 0 + 4 e 325 355 etot -6.4356E+01 mv 1 94 59 -58 0 + 4 e 688 323 etot -8.3624E+01 mv 1 94 142 -115 0 + 4 e 379 352 etot -7.3851E+01 mv 1 94 59 -177 0 + 4 e 369 333 etot -8.7171E+01 mv 1 94 104 66 0 + 4 e 417 353 etot -8.8191E+01 mv 1 94 59 32 0 + -1 e 1 389 etot 1.3528E+20 mv 1 94 88 -185 0 + 4 e 319 366 etot -8.8460E+01 mv 1 94 168 -70 0 + 4 e 235 375 etot -8.8115E+01 mv 1 94 1 -20 0 + 4 e 273 371 etot -8.7937E+01 mv 1 94 1 24 0 + 4 e 527 343 etot -7.4926E+01 mv 1 94 107 -31 0 + 4 e 618 311 etot -7.9299E+01 mv 1 94 78 131 0 + 4 e 159 381 etot -8.8060E+01 mv 1 94 200 -24 0 + 4 e 202 377 etot -8.8097E+01 mv 1 94 124 109 0 + 4 e 314 368 etot -8.9445E+01 mv 1 94 168 -91 0 + 4 e 225 376 etot -8.6484E+01 mv 1 94 124 -85 0 + 4 e 216 380 etot -8.6297E+01 mv 1 94 124 -61 0 + 4 e 329 372 etot -8.6079E+01 mv 1 94 1 166 0 + 4 e 377 349 etot -7.7756E+01 mv 1 94 196 -132 0 + 4 e 361 373 etot -7.3416E+01 mv 1 94 1 27 0 + 4 e 232 383 etot -8.4713E+01 mv 1 94 200 -94 0 + 4 e 459 339 etot -7.1178E+01 mv 1 94 24 -188 0 + 4 e 364 374 etot -7.7443E+01 mv 1 94 1 54 0 + 4 e 441 365 etot -8.3015E+01 mv 1 94 36 -89 0 + 4 e 2 406 etot -8.7801E+01 mv 0 94 47 0 0 + 4 e 2 408 etot -9.0761E+01 mv 0 94 24 0 0 + 4 e 12 407 etot -9.2543E+01 mv 0 94 104 0 0 c 104 0.0 0.0 + 4 e 108 409 etot -8.9285E+01 mv 0 94 107 0 0 c 107 0.6 0.0 + 4 e 295 387 etot -8.5447E+01 mv 1 94 88 -28 0 + 4 e 140 401 etot -8.6896E+01 mv 0 94 22 0 0 c 22 0.7 0.0 + 4 e 223 393 etot -8.7603E+01 mv 1 94 183 150 0 + 4 e 184 390 etot -8.8050E+01 mv 1 94 88 -139 0 + 4 e 292 385 etot -8.8059E+01 mv 1 94 200 63 0 + 4 e 585 359 etot -8.9072E+01 mv 1 94 161 -35 0 + 4 e 281 391 etot -8.6615E+01 mv 1 94 183 -87 0 + 4 e 284 386 etot -8.1854E+01 mv 1 94 88 -166 0 + 4 e 10 410 etot -8.8871E+01 mv 0 94 196 0 0 +## N0 total= 19 close= 14 far= 0 %acc 73.7 +## N1 total= 101 close= 3 far= 0 %acc 3.0 +## N2 total= 100 close= 1 far= 0 %acc 1.0 +## N3 total= 0 close= 0 far= 0 %acc 0.0 +## N4 total= 0 close= 0 far= 0 %acc 0.0 +## N5 total= 0 close= 0 far= 0 %acc 0.0 +## N6 total= 200 close= 11 far= 0 %acc 5.5 +## N7 total= 0 close= 0 far= 0 %acc 0.0 +## N8 total= 0 close= 0 far= 0 %acc 0.0 +## N9 total= 0 close= 0 far= 0 %acc 0.0 +##N10 total= 0 close= 0 far= 0 %acc 0.0 +##N11 total= 0 close= 0 far= 0 %acc 0.0 +##N12 total= 0 close= 0 far= 0 %acc 0.0 +##N13 total= 0 close= 0 far= 0 %acc 0.0 +##N14 total= 0 close= 0 far= 0 %acc 0.0 +##N15 total= 0 close= 0 far= 0 %acc 0.0 +##N16 total= 0 close= 0 far= 0 %acc 0.0 +##N17 total= 0 close= 0 far= 0 %acc 0.0 +##N18 total= 0 close= 0 far= 0 %acc 0.0 + Time for refresh 95 0.37 + make_var : nseed= 20 ntry= 420 + Time for make trial 96 0.07 +Nonsetup time 184.55 sec, Eval/s = 65104.71 +Time for iter 96 1.87 sec, Eval/s = 63380.35 + UPDATING 420 + 4 e 238 400 etot -8.7411E+01 mv 1 94 174 -58 0 + 4 e 418 392 etot -7.0566E+01 mv 1 94 183 -154 0 + 4 e 69 411 etot -8.8270E+01 mv 0 94 59 0 0 c 59 0.2 0.0 + 4 e 2 412 etot -8.9075E+01 mv 0 94 161 0 0 + 4 e 2 413 etot -8.8216E+01 mv 0 94 36 0 0 + 4 e 566 370 etot -8.2385E+01 mv 1 94 168 -157 0 + 4 e 20 414 etot -8.9446E+01 mv 0 94 168 0 0 c 168 0.0 0.0 + 4 e 2 415 etot -8.8115E+01 mv 0 94 1 0 0 + 4 e 2 416 etot -8.8097E+01 mv 0 94 124 0 0 + 4 e 270 394 etot -8.5429E+01 mv 1 94 183 57 0 + 4 e 138 417 etot -8.8060E+01 mv 0 94 200 0 0 c 200 0.9 0.0 + 4 e 10 418 etot -8.8050E+01 mv 0 94 88 0 0 c 88 0.0 0.0 + 4 e 2 419 etot -8.7603E+01 mv 0 94 183 0 0 + -1 e 1 4 etot 1.3528E+20 mv 6 95 15 83 0 + 4 e 365 396 etot -7.2457E+01 mv 1 94 174 38 0 + 4 e 458 379 etot -8.7272E+01 mv 1 94 124 148 0 + 4 e 74 420 etot -8.7411E+01 mv 0 94 174 0 0 c 174 0.3 0.0 + 4 e 142 403 etot -8.5586E+01 mv 0 94 78 0 0 c 78 1.9 0.0 + 4 e 146 399 etot -7.4265E+01 mv 1 94 174 4 0 + 4 e 626 362 etot -8.5983E+01 mv 1 94 36 -62 0 + 4 e 330 378 etot -8.7838E+01 mv 1 94 124 -179 0 + 4 e 102 404 etot -8.6688E+01 mv 0 94 112 0 0 c 112 0.7 0.0 + 4 e 481 398 etot -8.7409E+01 mv 1 94 174 -7 0 + 4 e 591 397 etot -7.5171E+01 mv 1 94 174 -8 0 + 4 e 297 384 etot -8.7953E+01 mv 1 94 200 174 0 + 4 e 99 402 etot -8.3731E+01 mv 0 94 31 0 0 c 31 1.4 0.0 + -1 e 1 19 etot 1.3528E+20 mv 6 95 142 78 0 + 4 e 362 388 etot -7.3927E+01 mv 1 94 88 -146 0 + 4 e 179 405 etot -8.3626E+01 mv 0 94 142 0 0 + 4 e 296 395 etot -8.7603E+01 mv 1 94 183 84 0 + 4 e 484 367 etot -8.0231E+01 mv 1 94 168 65 0 + 4 e 263 382 etot -8.7249E+01 mv 1 94 200 -44 0 + 4 e 562 345 etot -8.9283E+01 mv 1 94 107 114 0 + -1 e 1 30 etot 1.3528E+20 mv 6 95 149 87 0 + -1 e 1 34 etot 1.3528E+20 mv 6 95 17 179 0 + -1 e 1 35 etot 1.3528E+20 mv 6 95 17 191 0 + -1 e 1 36 etot 1.3528E+20 mv 6 95 17 168 0 + 4 e 12 6 etot -8.7921E+01 mv 6 95 15 193 0 c 193 0.0 0.0 + 4 e 152 8 etot -8.5108E+01 mv 6 95 15 127 0 c 15 1.1 0.0 + 4 e 155 21 etot -8.4326E+01 mv 6 95 149 141 0 + 4 e 188 22 etot -8.6190E+01 mv 6 95 149 146 0 c 149 66.5 0.1 + 4 e 204 12 etot -7.0469E+01 mv 6 95 142 127 0 + 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e 230 43 etot -6.9899E+01 mv 6 95 24 77 0 + 4 e 446 18 etot -8.5064E+01 mv 6 95 142 63 0 c 63 146.2 0.3 + 4 e 514 2 etot -8.1674E+01 mv 6 95 15 130 0 + 4 e 374 45 etot -9.0760E+01 mv 6 95 24 87 0 + 4 e 306 41 etot -8.2287E+01 mv 6 95 24 186 0 + 4 e 277 44 etot -8.5533E+01 mv 6 95 24 177 0 + -1 e 1 65 etot 1.3528E+20 mv 6 95 184 76 0 + 4 e 386 39 etot -7.7822E+01 mv 6 95 17 60 0 + -1 e 1 71 etot 1.3528E+20 mv 6 95 168 162 0 + 4 e 546 32 etot -8.2299E+01 mv 6 95 17 72 0 + 4 e 409 47 etot -7.5082E+01 mv 6 95 24 73 0 + 4 e 298 55 etot -9.2232E+01 mv 6 95 3 161 0 + -1 e 1 75 etot 1.3528E+20 mv 6 95 168 99 0 + 4 e 369 52 etot -8.5030E+01 mv 6 95 3 31 0 + 4 e 400 54 etot -8.3527E+01 mv 6 95 3 38 0 + -1 e 1 78 etot 1.3528E+20 mv 6 95 168 24 0 + 4 e 219 63 etot -8.3770E+01 mv 6 95 184 49 0 + 4 e 382 50 etot -7.6108E+01 mv 6 95 24 174 0 + 4 e 337 48 etot -7.8180E+01 mv 6 95 24 3 0 + 4 e 292 59 etot -9.0745E+01 mv 6 95 3 34 0 + -1 e 1 83 etot 1.3528E+20 mv 6 95 107 37 0 + 4 e 509 40 etot -7.6948E+01 mv 6 95 17 66 0 + 4 e 159 68 etot -8.5976E+01 mv 6 95 184 144 0 + 4 e 373 51 etot -9.2230E+01 mv 6 95 3 54 0 + 4 e 600 20 etot -7.8980E+01 mv 6 95 142 194 0 + 4 e 358 60 etot -9.0689E+01 mv 6 95 3 175 0 + 4 e 394 49 etot -8.8951E+01 mv 6 95 24 168 0 + 4 e 709 16 etot -8.0968E+01 mv 6 95 142 56 0 + 4 e 653 31 etot -7.8178E+01 mv 6 95 17 12 0 + 4 e 467 56 etot -8.1609E+01 mv 6 95 3 116 0 + 4 e 323 25 etot -8.1266E+01 mv 6 95 149 99 0 + 4 e 315 57 etot -8.5974E+01 mv 6 95 3 144 0 + 4 e 396 58 etot -8.5831E+01 mv 6 95 3 8 0 + 4 e 317 66 etot -7.7231E+01 mv 6 95 184 109 0 + 4 e 407 53 etot -8.4407E+01 mv 6 95 3 158 0 + 4 e 238 70 etot -7.3529E+01 mv 6 95 184 12 0 + -1 e 1 99 etot 2.1840E+28 mv 6 95 36 49 0 + 4 e 250 74 etot -8.6052E+01 mv 6 95 168 9 0 + 4 e 136 90 etot -8.7211E+01 mv 6 95 107 97 0 + 4 e 334 67 etot -7.3970E+01 mv 6 95 184 152 0 + 4 e 488 64 etot -8.0491E+01 mv 6 95 184 66 0 + 4 e 223 91 etot -7.6238E+01 mv 6 95 36 123 0 + 4 e 275 84 etot -8.5610E+01 mv 6 95 107 80 0 + 4 e 176 96 etot -8.8215E+01 mv 6 95 36 63 0 + 4 e 364 76 etot -8.3768E+01 mv 6 95 168 113 0 + 4 e 315 85 etot -8.9284E+01 mv 6 95 107 126 0 + 4 e 314 87 etot -8.5675E+01 mv 6 95 107 45 0 + 4 e 322 86 etot -7.9423E+01 mv 6 95 107 30 0 + -1 e 1 110 etot 1.3528E+20 mv 6 95 1 5 0 + 4 e 200 101 etot -6.5339E+01 mv 6 95 1 25 0 + 4 e 225 88 etot -7.4902E+01 mv 6 95 107 174 0 + -1 e 1 113 etot 1.1705E+29 mv 6 95 200 166 0 + 4 e 412 79 etot -8.2091E+01 mv 6 95 168 4 0 + 4 e 404 80 etot -7.7524E+01 mv 6 95 168 189 0 + 4 e 438 69 etot -7.6748E+01 mv 6 95 184 47 0 + 4 e 344 73 etot -9.0023E+01 mv 6 95 168 107 0 + 4 e 388 89 etot -7.8357E+01 mv 6 95 107 43 0 + 4 e 449 29 etot -7.9108E+01 mv 6 95 149 111 0 + 4 e 366 93 etot -8.3055E+01 mv 6 95 36 79 0 + 4 e 516 72 etot -8.9444E+01 mv 6 95 168 8 0 + 4 e 268 92 etot -8.0908E+01 mv 6 95 36 165 0 + 4 e 174 106 etot -7.2083E+01 mv 6 95 1 120 0 + -1 e 1 125 etot 4.4800E+22 mv 6 95 153 94 0 + 4 e 254 103 etot -7.6668E+01 mv 6 95 1 29 0 + 4 e 256 104 etot -8.1247E+01 mv 6 95 1 75 0 + 4 e 584 77 etot -8.4850E+01 mv 6 95 168 199 0 + 4 e 256 108 etot -7.6035E+01 mv 6 95 1 71 0 + 4 e 248 111 etot -7.7320E+01 mv 6 95 200 77 0 + 4 e 297 98 etot -8.1761E+01 mv 6 95 36 173 0 + 4 e 459 97 etot -8.5517E+01 mv 6 95 36 137 0 + 4 e 225 114 etot -7.3002E+01 mv 6 95 200 145 0 + -1 e 1 134 etot 1.3528E+20 mv 6 95 139 99 0 + 4 e 223 117 etot -8.1102E+01 mv 6 95 200 121 0 + 4 e 191 122 etot -7.9537E+01 mv 6 95 153 46 0 + 4 e 446 100 etot -8.1634E+01 mv 6 95 36 88 0 + 4 e 215 118 etot -8.6575E+01 mv 6 95 200 59 0 + -1 e 1 139 etot 1.3528E+20 mv 6 95 139 47 0 + 4 e 470 102 etot -8.7937E+01 mv 6 95 1 130 0 + 4 e 495 95 etot -7.8007E+01 mv 6 95 36 173 0 + 4 e 667 81 etot -7.7607E+01 mv 6 95 107 111 0 + 4 e 211 126 etot -8.8050E+01 mv 6 95 153 145 0 + 4 e 157 124 etot -8.7738E+01 mv 6 95 153 149 0 + 4 e 312 116 etot -8.2086E+01 mv 6 95 200 22 0 + -1 e 1 146 etot 1.3528E+20 mv 6 95 79 43 0 + 4 e 361 112 etot -7.9826E+01 mv 6 95 200 59 0 + 4 e 371 109 etot 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168 etot 1.3528E+20 mv 6 95 196 88 0 + 4 e 150 154 etot -8.5563E+01 mv 6 95 47 130 0 + 4 e 198 151 etot -7.8483E+01 mv 6 95 47 172 0 + 4 e 294 141 etot -7.9907E+01 mv 6 95 79 78 0 + 4 e 325 140 etot -8.1374E+01 mv 6 95 139 59 0 + 4 e 286 142 etot -8.7139E+01 mv 6 95 79 42 0 + -1 e 1 175 etot 1.3528E+20 mv 6 95 124 32 0 + 4 e 117 163 etot -7.0132E+01 mv 6 95 196 103 0 + 4 e 313 143 etot -8.9604E+01 mv 6 95 79 103 0 + 4 e 557 120 etot -8.4737E+01 mv 6 95 200 158 0 + 4 e 222 158 etot -7.5859E+01 mv 6 95 47 183 0 + 4 e 167 166 etot -7.7369E+01 mv 6 95 196 195 0 + 4 e 294 121 etot -8.1310E+01 mv 6 95 153 15 0 + 4 e 258 145 etot -7.7171E+01 mv 6 95 79 1 0 + 4 e 201 164 etot -7.0829E+01 mv 6 95 196 47 0 + 4 e 410 144 etot -7.8954E+01 mv 6 95 79 14 0 + 4 e 222 152 etot -8.5120E+01 mv 6 95 47 113 0 + 4 e 404 147 etot -8.9340E+01 mv 6 95 79 48 0 + -1 e 1 187 etot 1.3528E+20 mv 6 95 183 84 0 + 4 e 56 184 etot -8.5267E+01 mv 6 95 183 64 0 c 64 0.1 0.0 + 4 e 398 132 etot -7.7222E+01 mv 6 95 139 10 0 + 4 e 297 165 etot -6.9235E+01 mv 6 95 196 32 0 + 4 e 480 148 etot -8.1831E+01 mv 6 95 79 61 0 + 4 e 210 176 etot -8.6484E+01 mv 6 95 124 144 0 + 4 e 14 191 etot -8.4240E+01 mv 6 95 174 127 0 c 127 0.0 0.0 + 4 e 228 156 etot -8.3352E+01 mv 6 95 47 120 0 + 4 e 348 160 etot -8.6649E+01 mv 6 95 47 34 0 + -1 e 1 196 etot 1.3528E+20 mv 6 95 174 179 0 + 4 e 295 167 etot -8.6439E+01 mv 6 95 196 26 0 + 4 e 339 162 etot -8.6786E+01 mv 6 95 196 23 0 + 4 e 29 192 etot -8.6727E+01 mv 6 95 174 2 0 c 2 0.0 0.0 + -1 e 1 200 etot 1.3528E+20 mv 6 95 174 50 0 + 4 e 508 149 etot -7.9533E+01 mv 6 95 79 129 0 + 4 e 439 155 etot -7.9559E+01 mv 6 95 47 15 0 + 4 e 271 172 etot -8.8097E+01 mv 6 95 124 126 0 + 4 e 279 174 etot -7.9847E+01 mv 6 95 124 22 0 + 4 e 209 180 etot -8.7884E+01 mv 6 95 124 44 0 + 4 e 311 173 etot -8.2229E+01 mv 6 95 124 90 0 + 4 e 207 181 etot -8.4340E+01 mv 6 95 183 133 0 + 4 e 237 169 etot -8.8871E+01 mv 6 95 196 31 0 + 4 e 305 177 etot -8.0462E+01 mv 6 95 124 2 0 + 4 e 319 178 etot 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194 0 + 4 e 329 201 etot -8.3516E+01 mv 2 95 15 -200 0 + -1 e 1 232 etot 1.3528E+20 mv 2 95 184 -113 0 + -1 e 1 233 etot 1.3528E+20 mv 2 95 184 128 0 + 4 e 606 171 etot -8.6260E+01 mv 6 95 124 20 0 + -1 e 1 235 etot 1.3528E+20 mv 2 95 184 -58 0 + 4 e 395 202 etot -7.0625E+01 mv 2 95 15 1 0 + 4 e 209 221 etot -9.0761E+01 mv 2 95 24 162 0 + 4 e 209 212 etot -7.3108E+01 mv 2 95 149 -147 0 + 4 e 303 214 etot -8.1623E+01 mv 2 95 149 38 0 + 4 e 322 190 etot -7.5376E+01 mv 6 95 183 184 0 + 4 e 434 203 etot -7.7605E+01 mv 2 95 15 -88 0 + 4 e 387 207 etot -7.9253E+01 mv 2 95 142 10 0 + 4 e 327 195 etot -8.7410E+01 mv 6 95 174 106 0 + 4 e 340 213 etot -8.5088E+01 mv 2 95 149 -68 0 + 4 e 397 210 etot -8.1649E+01 mv 2 95 142 94 0 + -1 e 1 246 etot 1.3528E+20 mv 2 95 36 35 0 + 4 e 217 217 etot -8.5686E+01 mv 2 95 17 144 0 + 4 e 237 225 etot -8.9399E+01 mv 2 95 24 132 0 + 4 e 224 219 etot -7.0824E+01 mv 2 95 17 130 0 + 4 e 513 204 etot -7.7908E+01 mv 2 95 15 -190 0 + 4 e 264 229 etot -9.0455E+01 mv 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etot -6.7826E+01 mv 2 95 79 -113 0 + 4 e 488 252 etot -6.6906E+01 mv 2 95 1 -52 0 + 4 e 288 268 etot -7.5294E+01 mv 2 95 139 33 0 + 4 e 711 234 etot -7.6073E+01 mv 2 95 184 -115 0 + 4 e 499 251 etot -7.7232E+01 mv 2 95 1 43 0 + 4 e 148 285 etot -8.8871E+01 mv 2 95 196 20 0 + 4 e 131 288 etot -8.8097E+01 mv 2 95 124 197 0 + 4 e 287 277 etot -8.6313E+01 mv 2 95 47 194 0 + 4 e 425 250 etot -7.9955E+01 mv 2 95 36 -119 0 + 4 e 420 266 etot -7.6937E+01 mv 2 95 139 50 0 + 4 e 420 267 etot -8.1433E+01 mv 2 95 139 -2 0 + 4 e 203 286 etot -7.0037E+01 mv 2 95 124 -2 0 + 4 e 244 272 etot -7.0087E+01 mv 2 95 79 23 0 + 4 e 264 270 etot -7.5294E+01 mv 2 95 139 78 0 + 4 e 245 284 etot -6.8156E+01 mv 2 95 196 -44 0 + 4 e 506 265 etot -8.1695E+01 mv 2 95 153 -195 0 + 4 e 377 275 etot -8.4712E+01 mv 2 95 79 144 0 + 4 e 422 260 etot -7.8265E+01 mv 2 95 200 -96 0 + 4 e 292 287 etot -8.6434E+01 mv 2 95 124 -92 0 + 4 e 272 289 etot -7.7498E+01 mv 2 95 124 -160 0 + 4 e 361 283 etot -8.8826E+01 mv 2 95 196 150 0 + 4 e 250 298 etot -8.7411E+01 mv 2 95 174 -19 0 + 4 e 475 273 etot -8.0617E+01 mv 2 95 79 -110 0 + 4 e 170 303 etot -8.5108E+01 mv 1 95 15 -54 0 + 4 e 424 280 etot -8.1219E+01 mv 2 95 47 75 0 + -1 e 1 318 etot 1.3528E+20 mv 1 95 17 -74 0 + -1 e 1 319 etot 1.3528E+20 mv 1 95 17 28 0 + 4 e 219 301 etot -8.3736E+01 mv 1 95 15 13 0 + 4 e 314 297 etot -8.5662E+01 mv 2 95 174 -121 0 + 4 e 342 291 etot -8.6066E+01 mv 2 95 183 192 0 + -1 e 1 323 etot 1.3528E+20 mv 1 95 24 12 0 + 4 e 362 293 etot -8.7601E+01 mv 2 95 183 -146 0 + 4 e 225 305 etot -8.4326E+01 mv 1 95 15 -170 0 + 4 e 505 264 etot -8.4179E+01 mv 2 95 153 -98 0 + 4 e 214 308 etot -8.4022E+01 mv 1 95 142 -57 0 + 4 e 432 269 etot -6.8267E+01 mv 2 95 139 -48 0 + 4 e 374 295 etot -7.9343E+01 mv 2 95 183 92 0 + 4 e 562 278 etot -8.2041E+01 mv 2 95 47 -129 0 + 4 e 326 300 etot -8.7411E+01 mv 2 95 174 -171 0 + 4 e 276 309 etot -7.1817E+01 mv 1 95 142 -33 0 + 4 e 467 294 etot -8.7602E+01 mv 2 95 183 77 0 + 4 e 456 279 etot -8.6313E+01 mv 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etot -9.0745E+01 mv 1 95 3 -137 0 + 4 e 372 325 etot -8.9617E+01 mv 1 95 24 -6 0 + 4 e 274 334 etot -8.9224E+01 mv 1 95 184 -123 0 + 4 e 314 333 etot -9.0193E+01 mv 1 95 184 121 0 + 4 e 239 336 etot -8.9446E+01 mv 1 95 168 -157 0 + 4 e 163 348 etot -8.8215E+01 mv 1 95 36 109 0 + 4 e 487 302 etot -7.5847E+01 mv 1 95 15 184 0 + 4 e 455 307 etot -7.8718E+01 mv 1 95 142 -150 0 + 4 e 289 341 etot -7.5192E+01 mv 1 95 107 131 0 + 4 e 459 326 etot -8.2606E+01 mv 1 95 3 -147 0 + 4 e 291 343 etot -7.3661E+01 mv 1 95 107 87 0 + 4 e 221 350 etot -8.4833E+01 mv 1 95 36 -100 0 + 4 e 246 335 etot -9.0193E+01 mv 1 95 184 -98 0 + 4 e 290 346 etot -8.0674E+01 mv 1 95 36 82 0 + 4 e 102 361 etot -8.8055E+01 mv 1 95 153 95 0 + 4 e 192 356 etot -8.8060E+01 mv 1 95 200 56 0 + 4 e 574 321 etot -8.5844E+01 mv 1 95 24 -187 0 + -1 e 1 372 etot 1.3528E+20 mv 1 95 79 125 0 + 4 e 362 327 etot -9.0744E+01 mv 1 95 3 -45 0 + 4 e 493 332 etot -8.0004E+01 mv 1 95 184 -137 0 + -1 e 1 374 etot 1.3528E+20 mv 1 95 79 -47 0 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mv 1 95 196 -70 0 + 4 e 199 380 etot -8.7800E+01 mv 1 95 47 -5 0 + 4 e 194 381 etot -8.8871E+01 mv 1 95 196 43 0 + 4 e 490 354 etot -8.0596E+01 mv 1 95 1 200 0 + 4 e 157 388 etot -8.8097E+01 mv 1 95 124 98 0 + 4 e 361 367 etot -8.8358E+01 mv 1 95 139 28 0 + 4 e 186 390 etot -8.8097E+01 mv 1 95 124 83 0 + 4 e 371 369 etot -8.5281E+01 mv 1 95 139 -62 0 + 4 e 265 368 etot -8.8359E+01 mv 1 95 139 48 0 + 4 e 510 359 etot -8.8058E+01 mv 1 95 200 181 0 + 4 e 2 406 etot -9.0746E+01 mv 0 95 3 0 0 + 4 e 2 405 etot -9.0761E+01 mv 0 95 24 0 0 + 4 e 73 401 etot -8.5108E+01 mv 0 95 15 0 0 c 15 0.5 0.0 + 4 e 17 407 etot -9.0194E+01 mv 0 95 184 0 0 c 184 0.0 0.0 + 4 e 2 410 etot -8.8216E+01 mv 0 95 36 0 0 + 4 e 274 384 etot -8.8870E+01 mv 1 95 196 134 0 + 4 e 2 411 etot -8.8115E+01 mv 0 95 1 0 0 + 4 e 2 413 etot -8.8055E+01 mv 0 95 153 0 0 + 4 e 2 414 etot -8.8359E+01 mv 0 95 139 0 0 + 4 e 639 352 etot -8.8113E+01 mv 1 95 1 134 0 + 4 e 20 408 etot -8.9446E+01 mv 0 95 168 0 0 + 4 e 2 416 etot -8.7801E+01 mv 0 95 47 0 0 + 4 e 2 417 etot -8.8871E+01 mv 0 95 196 0 0 + 4 e 2 418 etot -8.8097E+01 mv 0 95 124 0 0 +## N0 total= 26 close= 10 far= 0 %acc 38.5 +## N1 total= 94 close= 0 far= 0 %acc 0.0 +## N2 total= 100 close= 1 far= 0 %acc 1.0 +## N3 total= 0 close= 0 far= 0 %acc 0.0 +## N4 total= 0 close= 0 far= 0 %acc 0.0 +## N5 total= 0 close= 0 far= 0 %acc 0.0 +## N6 total= 200 close= 8 far= 0 %acc 4.0 +## N7 total= 0 close= 0 far= 0 %acc 0.0 +## N8 total= 0 close= 0 far= 0 %acc 0.0 +## N9 total= 0 close= 0 far= 0 %acc 0.0 +##N10 total= 0 close= 0 far= 0 %acc 0.0 +##N11 total= 0 close= 0 far= 0 %acc 0.0 +##N12 total= 0 close= 0 far= 0 %acc 0.0 +##N13 total= 0 close= 0 far= 0 %acc 0.0 +##N14 total= 0 close= 0 far= 0 %acc 0.0 +##N15 total= 0 close= 0 far= 0 %acc 0.0 +##N16 total= 0 close= 0 far= 0 %acc 0.0 +##N17 total= 0 close= 0 far= 0 %acc 0.0 +##N18 total= 0 close= 0 far= 0 %acc 0.0 + Time for refresh 96 0.29 + make_var : nseed= 20 ntry= 420 + Time for make trial 97 0.06 +Nonsetup time 186.32 sec, Eval/s = 65144.08 +Time for iter 97 1.78 sec, Eval/s = 69231.96 + UPDATING 420 + 4 e 436 379 etot -8.6251E+01 mv 1 95 47 154 0 + 4 e 193 393 etot -8.7603E+01 mv 1 95 183 133 0 + 4 e 17 415 etot -8.9606E+01 mv 0 95 79 0 0 c 79 0.0 0.0 + 4 e 75 404 etot -8.5687E+01 mv 0 95 17 0 0 c 17 1.0 0.0 + 4 e 502 385 etot -8.8869E+01 mv 1 95 196 -155 0 + 4 e 608 355 etot -8.0064E+01 mv 1 95 1 -161 0 + 4 e 74 420 etot -8.7411E+01 mv 0 95 174 0 0 + 4 e 631 364 etot -8.7602E+01 mv 1 95 153 149 0 + 4 e 322 399 etot -7.0075E+01 mv 1 95 174 -37 0 + 4 e 121 403 etot -8.6045E+01 mv 0 95 149 0 0 + 4 e 639 365 etot -8.7948E+01 mv 1 95 153 160 0 + 4 e 138 412 etot -8.8060E+01 mv 0 95 200 0 0 + 4 e 226 391 etot -8.6138E+01 mv 1 95 183 -127 0 + 4 e 91 402 etot -8.4023E+01 mv 0 95 142 0 0 c 142 0.8 0.0 + 4 e 269 395 etot -8.7603E+01 mv 1 95 183 120 0 + -1 e 1 7 etot 1.3528E+20 mv 6 96 63 5 0 + 4 e 66 409 etot -8.9285E+01 mv 0 95 107 0 0 c 107 0.3 0.0 + 4 e 487 396 etot -8.6313E+01 mv 1 95 174 -65 0 + 4 e 515 371 etot -8.4710E+01 mv 1 95 79 -20 0 + 4 e 248 398 etot -7.4435E+01 mv 1 95 174 43 0 + 4 e 396 400 etot -7.8423E+01 mv 1 95 174 87 0 + 4 e 547 386 etot -8.8095E+01 mv 1 95 124 -18 0 + 4 e 255 389 etot -8.8025E+01 mv 1 95 124 -196 0 + 4 e 259 394 etot -8.7603E+01 mv 1 95 183 -60 0 + -1 e 1 16 etot 1.3528E+20 mv 6 96 91 105 0 + 4 e 292 377 etot -8.0267E+01 mv 1 95 47 118 0 + 4 e 244 392 etot -8.7602E+01 mv 1 95 183 41 0 + 4 e 520 382 etot -7.4338E+01 mv 1 95 196 -89 0 + 4 e 2 419 etot -8.7603E+01 mv 0 95 183 0 0 + 4 e 253 397 etot -7.4435E+01 mv 1 95 174 -151 0 + 4 e 601 338 etot -8.9445E+01 mv 1 95 168 -88 0 + 4 e 350 362 etot -8.0476E+01 mv 1 95 153 -171 0 + 4 e 430 376 etot -8.3276E+01 mv 1 95 47 -14 0 + 4 e 221 4 etot -8.4066E+01 mv 6 96 63 127 0 + 4 e 204 15 etot -8.5863E+01 mv 6 96 91 2 0 c 91 1.3 0.0 + 4 e 213 30 etot -8.6190E+01 mv 6 96 149 66 0 c 149 1.2 0.0 + 4 e 208 29 etot -8.4326E+01 mv 6 96 149 73 0 + 4 e 227 17 etot -7.9918E+01 mv 6 96 91 38 0 + 4 e 271 5 etot -7.9618E+01 mv 6 96 63 134 0 + 4 e 264 8 etot -7.2281E+01 mv 6 96 63 56 0 + 4 e 260 32 etot -8.4282E+01 mv 6 96 62 67 0 + 4 e 259 10 etot -8.5066E+01 mv 6 96 63 73 0 c 63 5.6 0.0 + 4 e 280 27 etot -7.8157E+01 mv 6 96 149 125 0 + 4 e 267 23 etot -8.6190E+01 mv 6 96 149 151 0 + 4 e 316 2 etot -7.6554E+01 mv 6 96 63 181 0 + 4 e 297 20 etot -8.5595E+01 mv 6 96 91 130 0 + 4 e 306 12 etot -7.7222E+01 mv 6 96 91 140 0 + 4 e 323 31 etot -8.4572E+01 mv 6 96 62 20 0 + 4 e 328 28 etot -8.6829E+01 mv 6 96 149 89 0 + 4 e 320 21 etot -8.6189E+01 mv 6 96 149 137 0 + -1 e 1 50 etot 1.3528E+20 mv 6 96 3 48 0 + 4 e 333 22 etot -8.6235E+01 mv 6 96 149 35 0 + 4 e 368 33 etot -7.1989E+01 mv 6 96 62 80 0 + -1 e 1 53 etot 1.3528E+20 mv 6 96 24 12 0 + 4 e 341 14 etot -7.2641E+01 mv 6 96 91 180 0 + 4 e 429 6 etot -8.1044E+01 mv 6 96 63 38 0 + -1 e 1 55 etot 1.3528E+20 mv 6 96 24 23 0 + -1 e 1 57 etot 1.3528E+20 mv 6 96 24 155 0 + 4 e 362 13 etot -8.3915E+01 mv 6 96 91 188 0 + 4 e 360 11 etot -7.8194E+01 mv 6 96 91 56 0 + 4 e 319 18 etot -8.5595E+01 mv 6 96 91 20 0 + 4 e 71 46 etot -8.6121E+01 mv 6 96 3 19 0 c 19 0.4 0.0 + 4 e 134 40 etot -6.8180E+01 mv 6 96 62 166 0 + 4 e 392 24 etot -8.2109E+01 mv 6 96 149 177 0 + 4 e 378 9 etot -8.0923E+01 mv 6 96 63 104 0 + 4 e 397 1 etot -8.5676E+01 mv 6 96 63 162 0 c 63 175.9 0.6 + 4 e 424 3 etot -8.5004E+01 mv 6 96 63 162 0 + 4 e 195 43 etot -9.2490E+01 mv 6 96 3 140 0 + 4 e 171 47 etot -7.1244E+01 mv 6 96 3 9 0 + -1 e 1 69 etot 1.3528E+20 mv 6 96 184 166 0 + 4 e 616 25 etot -8.5600E+01 mv 6 96 149 135 0 + 4 e 420 34 etot -7.6567E+01 mv 6 96 62 137 0 + 4 e 311 35 etot -6.6204E+01 mv 6 96 62 54 0 + 4 e 256 45 etot -8.1305E+01 mv 6 96 3 29 0 + 4 e 174 61 etot -7.2744E+01 mv 6 96 184 87 0 + 4 e 273 42 etot -8.5024E+01 mv 6 96 3 53 0 + 4 e 200 59 etot -9.0761E+01 mv 6 96 24 27 0 + 4 e 498 26 etot -8.3260E+01 mv 6 96 149 166 0 + 4 e 348 36 etot -7.7974E+01 mv 6 96 62 6 0 + 4 e 202 66 etot -5.5561E+01 mv 6 96 184 141 0 + 4 e 461 39 etot -8.2943E+01 mv 6 96 62 94 0 + 4 e 213 60 etot -9.0761E+01 mv 6 96 24 102 0 + 4 e 584 19 etot -8.4322E+01 mv 6 96 91 3 0 + 4 e 342 44 etot -8.7319E+01 mv 6 96 3 34 0 + 4 e 244 67 etot -9.0193E+01 mv 6 96 184 73 0 + 4 e 311 51 etot -7.5980E+01 mv 6 96 24 167 0 + 4 e 350 41 etot -8.5722E+01 mv 6 96 3 192 0 + 4 e 273 64 etot -8.8778E+01 mv 6 96 184 178 0 + 4 e 371 37 etot -8.3274E+01 mv 6 96 62 101 0 + 4 e 384 52 etot -8.3032E+01 mv 6 96 24 77 0 + 4 e 286 62 etot -8.7000E+01 mv 6 96 184 198 0 + 4 e 360 48 etot -8.4327E+01 mv 6 96 3 177 0 + 4 e 427 58 etot -7.8768E+01 mv 6 96 24 44 0 + 4 e 283 72 etot -8.9341E+01 mv 6 96 168 156 0 + 4 e 341 65 etot -8.9697E+01 mv 6 96 184 18 0 + 4 e 201 76 etot -8.9445E+01 mv 6 96 168 125 0 + 4 e 547 56 etot -7.8034E+01 mv 6 96 24 192 0 + 4 e 341 70 etot -9.0193E+01 mv 6 96 184 145 0 + 4 e 401 49 etot -9.1994E+01 mv 6 96 3 67 0 + 4 e 501 38 etot -8.7283E+01 mv 6 96 62 144 0 + 4 e 461 63 etot -8.3298E+01 mv 6 96 184 103 0 + 4 e 11 101 etot -8.7700E+01 mv 6 96 1 48 0 c 48 0.0 0.0 + 4 e 265 84 etot -7.5664E+01 mv 6 96 107 5 0 + 4 e 245 86 etot -8.9285E+01 mv 6 96 107 180 0 + -1 e 1 104 etot 1.3528E+20 mv 6 96 1 175 0 + 4 e 309 81 etot -7.9166E+01 mv 6 96 107 154 0 + 4 e 427 73 etot -6.4492E+01 mv 6 96 168 162 0 + 4 e 477 71 etot -7.8205E+01 mv 6 96 168 163 0 + 4 e 254 88 etot -7.7017E+01 mv 6 96 107 27 0 + 4 e 137 97 etot -7.0864E+01 mv 6 96 36 39 0 + 4 e 199 91 etot -8.6812E+01 mv 6 96 36 119 0 c 46 68.5 0.1 + 4 e 483 54 etot -7.9918E+01 mv 6 96 24 47 0 + 4 e 196 96 etot -8.4302E+01 mv 6 96 36 158 0 + 4 e 458 74 etot -8.7539E+01 mv 6 96 168 16 0 + 4 e 428 80 etot -8.7698E+01 mv 6 96 168 13 0 + 4 e 279 90 etot -8.7443E+01 mv 6 96 107 92 0 + 4 e 248 95 etot -7.7744E+01 mv 6 96 36 119 0 + 4 e 34 115 etot -9.0338E+01 mv 6 96 200 40 0 c 40 0.1 0.0 + 4 e 191 100 etot -8.8215E+01 mv 6 96 36 134 0 + 4 e 436 75 etot -7.8178E+01 mv 6 96 168 1 0 + 4 e 429 85 etot -8.0268E+01 mv 6 96 107 40 0 + 4 e 343 79 etot -8.0286E+01 mv 6 96 168 15 0 + 4 e 17 121 etot -8.3751E+01 mv 6 96 153 73 0 c 73 0.0 0.0 + -1 e 1 123 etot 1.3528E+20 mv 6 96 153 89 0 + 4 e 295 87 etot -8.9284E+01 mv 6 96 107 126 0 + 4 e 203 102 etot -7.6933E+01 mv 6 96 1 83 0 + 4 e 181 106 etot -8.7131E+01 mv 6 96 1 128 0 + 4 e 561 77 etot -8.4633E+01 mv 6 96 168 45 0 + -1 e 1 128 etot 1.3528E+20 mv 6 96 153 96 0 + 4 e 460 68 etot -7.8755E+01 mv 6 96 184 36 0 + 4 e 194 108 etot -8.6676E+01 mv 6 96 1 187 0 + 4 e 376 94 etot -8.6378E+01 mv 6 96 36 195 0 + 4 e 349 98 etot -7.8198E+01 mv 6 96 36 42 0 + 4 e 571 82 etot -7.5926E+01 mv 6 96 107 1 0 + 4 e 502 83 etot -8.9283E+01 mv 6 96 107 26 0 + 4 e 338 103 etot -8.0982E+01 mv 6 96 1 49 0 + 4 e 351 92 etot -7.8978E+01 mv 6 96 36 68 0 + 4 e 480 93 etot -8.4722E+01 mv 6 96 36 191 0 + 4 e 381 105 etot -8.7849E+01 mv 6 96 1 62 0 + -1 e 1 139 etot 1.3528E+20 mv 6 96 88 94 0 + 4 e 343 109 etot -8.2589E+01 mv 6 96 1 172 0 + 4 e 190 127 etot -8.5048E+01 mv 6 96 153 134 0 + 4 e 300 99 etot -7.7281E+01 mv 6 96 36 31 0 + 4 e 240 120 etot -7.4480E+01 mv 6 96 200 71 0 + 4 e 390 107 etot -7.9609E+01 mv 6 96 1 67 0 + 4 e 298 117 etot -8.2824E+01 mv 6 96 200 39 0 + -1 e 1 146 etot 1.3528E+20 mv 6 96 79 153 0 + 4 e 484 78 etot -9.0928E+01 mv 6 96 168 74 0 c 67 83.8 0.1 + 4 e 334 116 etot -7.9340E+01 mv 6 96 200 12 0 + 4 e 338 119 etot -8.5838E+01 mv 6 96 200 48 0 + 4 e 448 110 etot -7.8419E+01 mv 6 96 1 142 0 + 4 e 456 89 etot -8.4423E+01 mv 6 96 107 28 0 + 4 e 464 111 etot -7.7005E+01 mv 6 96 200 23 0 + 4 e 22 152 etot -8.6412E+01 mv 6 96 196 134 0 c 134 0.0 0.0 + 4 e 312 129 etot -8.4852E+01 mv 6 96 153 57 0 + 4 e 402 118 etot -8.4824E+01 mv 6 96 200 71 0 + 4 e 248 130 etot -8.1911E+01 mv 6 96 153 32 0 + 4 e 329 133 etot -8.7284E+01 mv 6 96 88 63 0 + 4 e 405 126 etot -8.3125E+01 mv 6 96 153 120 0 + 4 e 503 114 etot -8.0708E+01 mv 6 96 200 186 0 + 4 e 225 142 etot -7.5034E+01 mv 6 96 79 43 0 + 4 e 317 134 etot -8.4740E+01 mv 6 96 88 17 0 + 4 e 434 124 etot -8.5169E+01 mv 6 96 153 17 0 + 4 e 227 145 etot -6.8897E+01 mv 6 96 79 125 0 + 4 e 265 141 etot -7.5090E+01 mv 6 96 79 195 0 + 4 e 356 135 etot -8.5258E+01 mv 6 96 88 166 0 + 4 e 577 113 etot -8.8059E+01 mv 6 96 200 72 0 + -1 e 1 167 etot 1.3528E+20 mv 6 96 163 186 0 + 4 e 163 151 etot -6.7469E+01 mv 6 96 196 160 0 + 4 e 442 132 etot -8.7486E+01 mv 6 96 88 18 0 + -1 e 1 170 etot 1.3528E+20 mv 6 96 163 194 0 + 4 e 349 125 etot -9.2232E+01 mv 6 96 153 117 0 + 4 e 468 131 etot -7.6264E+01 mv 6 96 88 2 0 + 4 e 267 149 etot -7.6554E+01 mv 6 96 79 142 0 + 4 e 368 138 etot -7.5675E+01 mv 6 96 88 173 0 + 4 e 312 147 etot -8.1809E+01 mv 6 96 79 37 0 + 4 e 341 144 etot -8.8508E+01 mv 6 96 79 97 0 + 4 e 407 122 etot -8.9057E+01 mv 6 96 153 162 0 + 4 e 301 137 etot -8.3381E+01 mv 6 96 88 52 0 + -1 e 1 179 etot 1.3528E+20 mv 6 96 183 119 0 + 4 e 70 172 etot -8.4341E+01 mv 6 96 183 133 0 + 4 e 256 156 etot -7.7806E+01 mv 6 96 196 54 0 + 4 e 525 112 etot -8.4196E+01 mv 6 96 200 178 0 + 4 e 208 163 etot -6.8518E+01 mv 6 96 163 196 0 + 4 e 167 171 etot -6.4140E+01 mv 6 96 183 28 0 + 4 e 285 158 etot -8.4553E+01 mv 6 96 196 101 0 + 4 e 214 169 etot -7.1846E+01 mv 6 96 163 166 0 + 4 e 557 136 etot -8.6684E+01 mv 6 96 88 112 0 + 4 e 379 153 etot -7.9007E+01 mv 6 96 196 78 0 + 4 e 197 173 etot -7.5307E+01 mv 6 96 183 10 0 + 4 e 10 190 etot -8.6232E+01 mv 6 96 174 30 0 c 30 0.0 0.0 + 4 e 561 140 etot -8.8049E+01 mv 6 96 88 185 0 + 4 e 336 161 etot -8.7791E+01 mv 6 96 163 191 0 + 4 e 282 154 etot -8.4692E+01 mv 6 96 196 122 0 + 4 e 295 166 etot -8.7791E+01 mv 6 96 163 37 0 + 4 e 403 143 etot -7.5485E+01 mv 6 96 79 22 0 + 4 e 376 162 etot -8.7792E+01 mv 6 96 163 196 0 + 4 e 502 150 etot -8.3988E+01 mv 6 96 79 65 0 + 4 e 369 148 etot -7.6014E+01 mv 6 96 79 174 0 + 4 e 262 176 etot -8.7603E+01 mv 6 96 183 136 0 + 4 e 283 175 etot -8.6605E+01 mv 6 96 183 196 0 + 4 e 318 174 etot -7.7106E+01 mv 6 96 183 61 0 + 4 e 264 177 etot -8.7603E+01 mv 6 96 183 35 0 + 4 e 493 155 etot -7.9203E+01 mv 6 96 196 64 0 + 4 e 398 165 etot -7.5477E+01 mv 6 96 163 90 0 + 4 e 174 187 etot -7.1752E+01 mv 6 96 174 134 0 + 4 e 255 184 etot -8.7286E+01 mv 6 96 174 27 0 + 4 e 227 185 etot -8.7326E+01 mv 6 96 174 172 0 + 4 e 503 159 etot -7.7564E+01 mv 6 96 196 154 0 + -1 e 1 209 etot 1.3528E+20 mv 2 96 91 26 0 + 4 e 227 181 etot -8.2406E+01 mv 6 96 174 7 0 + 4 e 275 188 etot -8.3386E+01 mv 6 96 174 120 0 + 4 e 567 160 etot -8.1909E+01 mv 6 96 196 19 0 + 4 e 193 197 etot -8.6975E+01 mv 6 96 41 130 0 + 4 e 545 164 etot -8.3692E+01 mv 6 96 163 162 0 f 6 410.3 0.4 + 4 e 295 189 etot -8.4299E+01 mv 6 96 174 147 0 + 4 e 189 201 etot -8.5067E+01 mv 2 96 63 85 0 + 4 e 171 205 etot -8.5067E+01 mv 2 96 63 107 0 + 4 e 319 178 etot -7.5343E+01 mv 6 96 183 80 0 + 4 e 343 186 etot -8.3707E+01 mv 6 96 174 199 0 + -1 e 1 219 etot 1.3528E+20 mv 2 96 62 -199 0 + 4 e 572 168 etot -8.6371E+01 mv 6 96 163 107 0 + 4 e 166 206 etot -8.5863E+01 mv 2 96 91 103 0 c 91 1.2 0.0 + 4 e 271 195 etot -9.0296E+01 mv 6 96 41 59 0 + 4 e 160 199 etot -8.6687E+01 mv 6 96 41 107 0 + 4 e 299 180 etot -8.3661E+01 mv 6 96 183 171 0 + 4 e 308 192 etot -8.2725E+01 mv 6 96 41 22 0 + 4 e 250 200 etot -7.6218E+01 mv 6 96 41 132 0 + 8 e 63 213 etot -6.3995E+01 mv 2 96 149 -75 0 + 8 e 23 227 etot -6.3991E+01 mv 2 96 24 -28 0 + 4 e 199 207 etot -7.4132E+01 mv 2 96 91 138 0 + 4 e 327 183 etot -8.7286E+01 mv 6 96 174 85 0 + -1 e 1 232 etot 1.3528E+20 mv 2 96 184 -91 0 + 4 e 205 208 etot -8.5863E+01 mv 2 96 91 52 0 + 4 e 306 198 etot -8.7380E+01 mv 6 96 41 29 0 + 4 e 242 194 etot -8.5239E+01 mv 6 96 41 24 0 + 4 e 219 210 etot -8.5863E+01 mv 2 96 91 -132 0 + 4 e 418 191 etot -8.5110E+01 mv 6 96 41 50 0 + 4 e 520 157 etot -8.3445E+01 mv 6 96 196 98 0 + 4 e 329 203 etot -8.0046E+01 mv 2 96 63 197 0 + 4 e 438 193 etot -7.5725E+01 mv 6 96 41 61 0 + 4 e 161 228 etot -9.0761E+01 mv 2 96 24 -142 0 + 4 e 203 218 etot -6.2862E+01 mv 2 96 62 -17 0 + 4 e 391 204 etot -7.6803E+01 mv 2 96 63 165 0 + 4 e 408 202 etot -8.1034E+01 mv 2 96 63 54 0 + 4 e 266 216 etot -6.7026E+01 mv 2 96 62 -182 0 + 4 e 292 212 etot -7.8545E+01 mv 2 96 149 156 0 + 4 e 251 223 etot -9.0392E+01 mv 2 96 3 1 0 + 4 e 175 235 etot -9.0193E+01 mv 2 96 184 171 0 + 4 e 336 217 etot -7.2128E+01 mv 2 96 62 191 0 + -1 e 1 250 etot 1.3528E+20 mv 2 96 36 191 0 + 4 e 374 196 etot -7.1208E+01 mv 6 96 41 6 0 + 4 e 309 222 etot -7.9220E+01 mv 2 96 3 69 0 + 4 e 201 226 etot -9.0761E+01 mv 2 96 24 47 0 + 4 e 729 182 etot -7.8495E+01 mv 6 96 174 10 0 + 4 e 280 211 etot -8.4640E+01 mv 2 96 149 57 0 + 4 e 267 234 etot -7.1264E+01 mv 2 96 184 160 0 + 8 e 2 256 etot -6.3988E+01 mv 2 96 200 -1 0 + 4 e 288 231 etot -7.0773E+01 mv 2 96 184 -198 0 + 4 e 131 246 etot -8.8215E+01 mv 2 96 36 -183 0 + 4 e 348 230 etot -9.0746E+01 mv 2 96 24 -23 0 + 4 e 222 243 etot -8.7835E+01 mv 2 96 107 -7 0 + 4 e 242 233 etot -9.0193E+01 mv 2 96 184 -89 0 + 4 e 289 240 etot -8.7810E+01 mv 2 96 168 114 0 + 4 e 454 215 etot -7.9639E+01 mv 2 96 149 -116 0 + 4 e 495 214 etot -8.4372E+01 mv 2 96 149 -97 0 + 4 e 267 242 etot -8.5621E+01 mv 2 96 107 -153 0 + 4 e 195 248 etot -8.8215E+01 mv 2 96 36 178 0 + 4 e 366 238 etot -7.2521E+01 mv 2 96 168 -69 0 + 4 e 510 220 etot -7.8918E+01 mv 2 96 62 -40 0 + 4 e 301 245 etot -8.9284E+01 mv 2 96 107 187 0 + 4 e 286 236 etot -8.5459E+01 mv 2 96 168 199 0 + 4 e 179 260 etot -8.8060E+01 mv 2 96 200 13 0 + 4 e 202 257 etot -8.8060E+01 mv 2 96 200 130 0 + -1 e 1 274 etot 1.3528E+20 mv 2 96 79 55 0 + 4 e 256 251 etot -8.6675E+01 mv 2 96 1 46 0 + 4 e 382 241 etot -8.2675E+01 mv 2 96 107 66 0 + 4 e 523 229 etot -6.2546E+01 mv 2 96 24 -117 0 + -1 e 1 277 etot 1.3528E+20 mv 2 96 196 -129 0 + 4 e 289 249 etot -8.8214E+01 mv 2 96 36 88 0 + 4 e 129 266 etot -6.7695E+01 mv 2 96 88 -79 0 + 4 e 484 237 etot -8.2512E+01 mv 2 96 168 65 0 + 4 e 172 265 etot -8.8055E+01 mv 2 96 153 -24 0 + 4 e 298 253 etot -7.2466E+01 mv 2 96 1 -132 0 + -1 e 1 284 etot 1.3528E+20 mv 2 96 163 166 0 + 4 e 219 261 etot -8.8055E+01 mv 2 96 153 37 0 + 4 e 223 252 etot -8.8115E+01 mv 2 96 1 67 0 + 4 e 629 224 etot -7.2043E+01 mv 2 96 3 -55 0 + 4 e 144 263 etot -8.8055E+01 mv 2 96 153 37 0 + 4 e 211 264 etot -8.8055E+01 mv 2 96 153 89 0 + 4 e 463 244 etot -8.0268E+01 mv 2 96 107 180 0 + 4 e 145 275 etot -8.9605E+01 mv 2 96 79 -101 0 + -1 e 1 292 etot 1.3528E+20 mv 2 96 174 135 0 + -1 e 1 293 etot 1.3528E+20 mv 2 96 174 -63 0 + 4 e 217 270 etot -8.8050E+01 mv 2 96 88 -154 0 + 4 e 475 247 etot -8.0083E+01 mv 2 96 36 6 0 + 4 e 258 268 etot -7.6966E+01 mv 2 96 88 8 0 + 4 e 518 225 etot -9.0744E+01 mv 2 96 3 64 0 + 4 e 455 255 etot -8.6665E+01 mv 2 96 1 -36 0 + 4 e 362 262 etot -7.5738E+01 mv 2 96 153 -100 0 + -1 e 1 300 etot 1.3528E+20 mv 2 96 41 -139 0 + 4 e 427 259 etot -7.9890E+01 mv 2 96 200 78 0 + 4 e 479 239 etot -8.4591E+01 mv 2 96 168 -165 0 + 4 e 564 221 etot -8.6296E+01 mv 2 96 3 89 0 + 4 e 185 291 etot -8.7411E+01 mv 2 96 174 71 0 + 4 e 229 272 etot -8.9605E+01 mv 2 96 79 138 0 + 4 e 345 278 etot -8.8278E+01 mv 2 96 196 40 0 + 4 e 318 281 etot -7.6567E+01 mv 2 96 163 182 0 + 4 e 362 276 etot -8.0032E+01 mv 2 96 196 -67 0 + 4 e 193 296 etot -8.7381E+01 mv 2 96 41 -116 0 + 4 e 455 269 etot -7.5625E+01 mv 2 96 88 92 0 + 4 e 309 285 etot -8.7894E+01 mv 2 96 163 -143 0 c 163 78.4 0.1 + -1 e 1 312 etot 1.3528E+20 mv 1 96 149 134 0 + 4 e 407 279 etot -7.7480E+01 mv 2 96 196 -180 0 + 4 e 347 288 etot -8.2825E+01 mv 2 96 183 -77 0 + 4 e 351 290 etot -7.9319E+01 mv 2 96 183 -23 0 + 4 e 382 286 etot -8.7602E+01 mv 2 96 183 -134 0 + 4 e 524 271 etot -7.0113E+01 mv 2 96 79 -169 0 + 4 e 481 280 etot -8.3392E+01 mv 2 96 196 193 0 + 4 e 302 299 etot -8.6679E+01 mv 2 96 41 188 0 + 4 e 549 273 etot -8.6831E+01 mv 2 96 79 -35 0 + 4 e 648 267 etot -8.3334E+01 mv 2 96 88 161 0 + 4 e 420 294 etot -6.9571E+01 mv 2 96 174 -138 0 + 4 e 327 302 etot -8.1049E+01 mv 1 96 63 -28 0 + 4 e 337 287 etot -8.7603E+01 mv 2 96 183 37 0 + 4 e 508 283 etot -8.0641E+01 mv 2 96 163 -120 0 + 4 e 347 301 etot -8.5065E+01 mv 1 96 63 -127 0 + 4 e 303 305 etot -8.5121E+01 mv 1 96 63 -53 0 + 4 e 255 308 etot -8.5863E+01 mv 1 96 91 103 0 + 4 e 260 310 etot -8.5863E+01 mv 1 96 91 -69 0 + 4 e 369 289 etot -8.3047E+01 mv 2 96 183 162 0 + 4 e 492 295 etot -7.4261E+01 mv 2 96 174 196 0 + 4 e 239 306 etot -8.5375E+01 mv 1 96 91 43 0 + 4 e 625 254 etot -7.2846E+01 mv 2 96 1 -193 0 + 4 e 321 307 etot -8.5862E+01 mv 1 96 91 -66 0 + 4 e 634 282 etot -7.6743E+01 mv 2 96 163 171 0 + 4 e 323 309 etot -7.3773E+01 mv 1 96 91 6 0 + 4 e 308 314 etot -8.6190E+01 mv 1 96 149 115 0 + 4 e 287 316 etot -7.1200E+01 mv 1 96 62 -72 0 + 4 e 550 297 etot -8.2161E+01 mv 2 96 41 -103 0 + 4 e 245 318 etot -8.3144E+01 mv 1 96 62 -165 0 + 4 e 286 315 etot -8.6190E+01 mv 1 96 149 172 0 + 4 e 679 258 etot -8.8056E+01 mv 2 96 200 -171 0 + 4 e 343 317 etot -6.6209E+01 mv 1 96 62 -29 0 + 4 e 390 313 etot -8.1458E+01 mv 1 96 149 125 0 + 4 e 238 321 etot -9.0745E+01 mv 1 96 3 -145 0 + 4 e 405 311 etot -8.3261E+01 mv 1 96 149 61 0 + 4 e 124 335 etot -9.0194E+01 mv 1 96 184 76 0 + 4 e 358 303 etot -7.1877E+01 mv 1 96 63 -180 0 + -1 e 1 348 etot 1.3528E+20 mv 1 96 36 -150 0 + 4 e 210 328 etot -9.0761E+01 mv 1 96 24 167 0 + 4 e 226 326 etot -9.0761E+01 mv 1 96 24 -110 0 + 4 e 253 323 etot -9.0745E+01 mv 1 96 3 86 0 + 4 e 253 329 etot -8.1170E+01 mv 1 96 24 -104 0 + 4 e 386 320 etot -8.4573E+01 mv 1 96 62 179 0 + 4 e 407 319 etot -8.4571E+01 mv 1 96 62 144 0 + 4 e 365 322 etot -9.0849E+01 mv 1 96 3 -120 0 c 3 13.0 0.1 + 4 e 238 337 etot -8.9446E+01 mv 1 96 168 75 0 + 4 e 453 304 etot -8.2721E+01 mv 1 96 63 -169 0 + 4 e 392 324 etot -7.9938E+01 mv 1 96 3 -91 0 + 4 e 184 347 etot -7.6414E+01 mv 1 96 36 -60 0 + 4 e 271 325 etot -8.9359E+01 mv 1 96 3 -148 0 + 4 e 356 330 etot -9.0746E+01 mv 1 96 24 90 0 + 4 e 255 342 etot -6.8256E+01 mv 1 96 107 -66 0 + 4 e 419 327 etot -8.2481E+01 mv 1 96 24 -1 0 + 4 e 231 346 etot -7.2709E+01 mv 1 96 36 -34 0 + 4 e 233 344 etot -8.5222E+01 mv 1 96 107 159 0 + 4 e 324 338 etot -8.9445E+01 mv 1 96 168 -87 0 + 4 e 295 345 etot -8.9285E+01 mv 1 96 107 155 0 + 4 e 443 332 etot -8.7661E+01 mv 1 96 184 -192 0 + 4 e 279 352 etot -8.8115E+01 mv 1 96 1 -194 0 + 4 e 376 341 etot -8.8498E+01 mv 1 96 107 -85 0 + 4 e 323 331 etot -9.0193E+01 mv 1 96 184 90 0 + 4 e 241 354 etot -8.6676E+01 mv 1 96 1 -8 0 + 4 e 125 363 etot -8.8055E+01 mv 1 96 153 -60 0 + 4 e 166 361 etot -7.0992E+01 mv 1 96 153 -192 0 + 4 e 216 355 etot -8.8115E+01 mv 1 96 1 80 0 + 4 e 245 356 etot -8.8060E+01 mv 1 96 200 -26 0 + 4 e 634 298 etot -8.6535E+01 mv 2 96 41 -110 0 + -1 e 1 379 etot 1.3528E+20 mv 1 96 196 -185 0 + 4 e 153 366 etot -8.8050E+01 mv 1 96 88 70 0 + 4 e 283 343 etot -8.9099E+01 mv 1 96 107 49 0 + 4 e 234 360 etot -8.8060E+01 mv 1 96 200 -182 0 + 4 e 209 364 etot -8.6766E+01 mv 1 96 153 -52 0 + 4 e 305 358 etot -8.6913E+01 mv 1 96 200 -177 0 + 4 e 409 353 etot -7.9263E+01 mv 1 96 1 87 0 + 4 e 432 351 etot -8.7837E+01 mv 1 96 1 -140 0 + 4 e 459 350 etot -7.7932E+01 mv 1 96 36 -40 0 + 4 e 429 334 etot -8.0639E+01 mv 1 96 184 -189 0 + 4 e 262 368 etot -8.8050E+01 mv 1 96 88 113 0 + 4 e 219 372 etot -8.7478E+01 mv 1 96 79 181 0 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etot -8.8115E+01 mv 0 96 1 0 0 + 4 e 287 384 etot -6.6114E+01 mv 1 96 163 -19 0 + 4 e 356 377 etot -8.7232E+01 mv 1 96 196 -17 0 + 4 e 2 413 etot -8.8055E+01 mv 0 96 153 0 0 + 4 e 2 414 etot -8.8050E+01 mv 0 96 88 0 0 + 4 e 2 416 etot -8.8871E+01 mv 0 96 196 0 0 + 4 e 14 412 etot -8.8060E+01 mv 0 96 200 0 0 c 200 0.0 0.0 + 4 e 209 382 etot -8.7792E+01 mv 1 96 163 69 0 + 4 e 2 418 etot -8.7603E+01 mv 0 96 183 0 0 +## N0 total= 20 close= 8 far= 0 %acc 40.0 +## N1 total= 100 close= 1 far= 0 %acc 1.0 +## N2 total= 100 close= 2 far= 0 %acc 2.0 +## N3 total= 0 close= 0 far= 0 %acc 0.0 +## N4 total= 0 close= 0 far= 0 %acc 0.0 +## N5 total= 0 close= 0 far= 0 %acc 0.0 +## N6 total= 200 close= 12 far= 1 %acc 6.5 +## N7 total= 0 close= 0 far= 0 %acc 0.0 +## N8 total= 0 close= 0 far= 0 %acc 0.0 +## N9 total= 0 close= 0 far= 0 %acc 0.0 +##N10 total= 0 close= 0 far= 0 %acc 0.0 +##N11 total= 0 close= 0 far= 0 %acc 0.0 +##N12 total= 0 close= 0 far= 0 %acc 0.0 +##N13 total= 0 close= 0 far= 0 %acc 0.0 +##N14 total= 0 close= 0 far= 0 %acc 0.0 +##N15 total= 0 close= 0 far= 0 %acc 0.0 +##N16 total= 0 close= 0 far= 0 %acc 0.0 +##N17 total= 0 close= 0 far= 0 %acc 0.0 +##N18 total= 0 close= 0 far= 0 %acc 0.0 + Time for refresh 97 0.29 + make_var : nseed= 20 ntry= 420 + Time for make trial 98 0.06 +Nonsetup time 188.12 sec, Eval/s = 65193.82 +Time for iter 98 1.79 sec, Eval/s = 70363.75 + UPDATING 420 + 4 e 38 417 etot -8.7793E+01 mv 0 96 163 0 0 + 4 e 539 388 etot -8.0499E+01 mv 1 96 183 -121 0 + 4 e 439 383 etot -7.4069E+01 mv 1 96 163 -52 0 + 4 e 462 386 etot -8.7602E+01 mv 1 96 183 -129 0 + 4 e 66 409 etot -8.9285E+01 mv 0 96 107 0 0 + 4 e 741 399 etot -7.4221E+01 mv 1 96 41 -68 0 + 4 e 574 400 etot -8.2048E+01 mv 1 96 41 -151 0 + 4 e 217 395 etot -8.7411E+01 mv 1 96 174 165 0 + 4 e 594 357 etot -8.8057E+01 mv 1 96 200 -186 0 + 4 e 469 369 etot -8.8047E+01 mv 1 96 88 -147 0 + 4 e 2 420 etot -8.7381E+01 mv 0 96 41 0 0 + 4 e 132 402 etot -8.5863E+01 mv 0 96 91 0 0 c 91 0.5 0.0 + 4 e 322 387 etot -8.7603E+01 mv 1 96 183 56 0 + 4 e 310 385 etot -8.7791E+01 mv 1 96 163 151 0 + 4 e 139 401 etot -8.5067E+01 mv 0 96 63 0 0 + 4 e 605 378 etot -8.1705E+01 mv 1 96 196 197 0 + 4 e 245 398 etot -8.6975E+01 mv 1 96 41 34 0 + 4 e 17 415 etot -8.9606E+01 mv 0 96 79 0 0 + 4 e 119 403 etot -8.6190E+01 mv 0 96 149 0 0 c 149 1.1 0.0 + 4 e 545 367 etot -8.3114E+01 mv 1 96 88 149 0 + 4 e 221 391 etot -8.7411E+01 mv 1 96 174 -27 0 + 4 e 277 397 etot -8.6679E+01 mv 1 96 41 66 0 + 4 e 565 365 etot -8.1799E+01 mv 1 96 153 -57 0 + 4 e 261 380 etot -8.8871E+01 mv 1 96 196 141 0 + 4 e 565 349 etot -8.3473E+01 mv 1 96 36 -77 0 + 4 e 514 394 etot -8.7409E+01 mv 1 96 174 178 0 + 4 e 314 392 etot -8.7286E+01 mv 1 96 174 50 0 + 4 e 410 359 etot -8.0115E+01 mv 1 96 200 174 0 + 4 e 308 389 etot -8.7603E+01 mv 1 96 183 96 0 + 4 e 15 419 etot -8.7411E+01 mv 0 96 174 0 0 c 174 0.0 0.0 + -1 e 1 23 etot 1.3528E+20 mv 6 97 46 122 0 + 4 e 181 393 etot -8.7411E+01 mv 1 96 174 -59 0 + 4 e 181 2 etot 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-6.8894E+01 mv 1 97 196 -144 0 + 4 e 200 368 etot -8.8060E+01 mv 1 97 200 81 0 + 4 e 395 348 etot -8.0455E+01 mv 1 97 107 -82 0 + 4 e 197 360 etot -8.8871E+01 mv 1 97 196 117 0 + 4 e 426 351 etot -8.4361E+01 mv 1 97 1 71 0 + 4 e 218 372 etot -8.8359E+01 mv 1 97 139 130 0 + 4 e 443 352 etot -8.7814E+01 mv 1 97 1 167 0 + 4 e 421 353 etot -8.1284E+01 mv 1 97 1 -189 0 + 4 e 389 361 etot -8.8103E+01 mv 1 97 122 -170 0 + 4 e 255 374 etot -8.8359E+01 mv 1 97 139 28 0 + 4 e 357 366 etot -8.8058E+01 mv 1 97 200 117 0 + 4 e 281 363 etot -8.7837E+01 mv 1 97 122 -117 0 + 4 e 161 385 etot -8.9075E+01 mv 1 97 161 181 0 + 4 e 520 350 etot -7.8739E+01 mv 1 97 107 -136 0 + 4 e 323 369 etot -8.8059E+01 mv 1 97 200 -103 0 + -1 e 1 400 etot 2.2610E+36 mv 1 97 48 -5 0 + 4 e 836 329 etot -7.5134E+01 mv 1 97 163 -140 0 + 4 e 291 380 etot -8.4243E+01 mv 1 97 183 5 0 + 4 e 299 365 etot -8.5596E+01 mv 1 97 122 113 0 + 4 e 311 377 etot -8.6138E+01 mv 1 97 183 -26 0 + 4 e 78 401 etot -9.0850E+01 mv 0 97 3 0 0 c 3 0.3 0.0 + 4 e 457 367 etot -7.6447E+01 mv 1 97 200 69 0 + 4 e 368 375 etot -6.7227E+01 mv 1 97 139 -179 0 + 4 e 2 408 etot -9.0761E+01 mv 0 97 24 0 0 + 4 e 229 378 etot -8.6971E+01 mv 1 97 183 172 0 + 4 e 10 407 etot -8.3673E+01 mv 0 97 68 0 0 c 68 0.0 0.0 + 4 e 414 370 etot -7.4508E+01 mv 1 97 200 182 0 + 4 e 2 411 etot -8.8115E+01 mv 0 97 1 0 0 + 4 e 2 412 etot -8.8871E+01 mv 0 97 196 0 0 + 4 e 10 409 etot -9.0194E+01 mv 0 97 184 0 0 c 184 0.0 0.0 + 4 e 528 364 etot -7.9985E+01 mv 1 97 122 74 0 + 4 e 2 413 etot -8.8104E+01 mv 0 97 122 0 0 + 4 e 2 415 etot -8.8359E+01 mv 0 97 139 0 0 + 4 e 2 416 etot -8.7603E+01 mv 0 97 183 0 0 + 4 e 2 417 etot -8.9075E+01 mv 0 97 161 0 0 +## N0 total= 18 close= 6 far= 0 %acc 33.3 +## N1 total= 102 close= 3 far= 0 %acc 2.9 +## N2 total= 100 close= 2 far= 0 %acc 2.0 +## N3 total= 0 close= 0 far= 0 %acc 0.0 +## N4 total= 0 close= 0 far= 0 %acc 0.0 +## N5 total= 0 close= 0 far= 0 %acc 0.0 +## N6 total= 200 close= 10 far= 1 %acc 5.5 +## N7 total= 0 close= 0 far= 0 %acc 0.0 +## N8 total= 0 close= 0 far= 0 %acc 0.0 +## N9 total= 0 close= 0 far= 0 %acc 0.0 +##N10 total= 0 close= 0 far= 0 %acc 0.0 +##N11 total= 0 close= 0 far= 0 %acc 0.0 +##N12 total= 0 close= 0 far= 0 %acc 0.0 +##N13 total= 0 close= 0 far= 0 %acc 0.0 +##N14 total= 0 close= 0 far= 0 %acc 0.0 +##N15 total= 0 close= 0 far= 0 %acc 0.0 +##N16 total= 0 close= 0 far= 0 %acc 0.0 +##N17 total= 0 close= 0 far= 0 %acc 0.0 +##N18 total= 0 close= 0 far= 0 %acc 0.0 + Time for refresh 98 0.36 + make_var : nseed= 20 ntry= 420 + Time for make trial 99 0.05 +Nonsetup time 189.95 sec, Eval/s = 65194.52 +Time for iter 99 1.84 sec, Eval/s = 65265.29 + UPDATING 420 + 4 e 150 405 etot -9.0931E+01 mv 0 97 67 0 0 + 4 e 11 414 etot -8.8060E+01 mv 0 97 200 0 0 c 200 0.0 0.0 + 4 e 396 376 etot -8.6647E+01 mv 1 97 183 64 0 + 4 e 493 388 etot -8.8096E+01 mv 1 97 124 -145 0 + 4 e 316 399 etot -8.7126E+01 mv 1 97 48 124 0 + 4 e 212 394 etot -8.7326E+01 mv 1 97 174 91 0 + 4 e 367 382 etot -8.9072E+01 mv 1 97 161 62 0 + 4 e 77 403 etot -8.6812E+01 mv 0 97 46 0 0 c 46 1.2 0.0 + 4 e 86 406 etot -8.7894E+01 mv 0 97 163 0 0 c 163 1.0 0.0 + 4 e 357 381 etot -8.5958E+01 mv 1 97 161 56 0 + 4 e 15 419 etot -8.7411E+01 mv 0 97 174 0 0 + 4 e 315 390 etot -8.7839E+01 mv 1 97 124 133 0 + 4 e 290 396 etot -8.3612E+01 mv 1 97 48 -87 0 + 4 e 2 418 etot -8.8097E+01 mv 0 97 124 0 0 + 4 e 10 420 etot -8.7700E+01 mv 0 97 48 0 0 c 48 0.0 0.0 + 4 e 247 393 etot -8.7411E+01 mv 1 97 174 112 0 + 4 e 471 398 etot -6.7015E+01 mv 1 97 48 -123 0 + 4 e 117 402 etot -8.3694E+01 mv 0 97 6 0 0 + 4 e 367 384 etot -8.7582E+01 mv 1 97 161 -143 0 + 4 e 497 387 etot -8.8024E+01 mv 1 97 124 15 0 + 4 e 246 391 etot -8.7411E+01 mv 1 97 174 18 0 + 4 e 246 395 etot -8.7411E+01 mv 1 97 174 -137 0 + 4 e 214 392 etot -8.7411E+01 mv 1 97 174 -190 0 + 4 e 18 410 etot -8.9285E+01 mv 0 97 107 0 0 c 107 0.0 0.0 + 4 e 103 404 etot -8.5677E+01 mv 0 97 63 0 0 c 63 0.7 0.0 + 4 e 395 386 etot -8.8392E+01 mv 1 97 124 -76 0 c 124 38.1 0.3 + 4 e 292 383 etot -8.8505E+01 mv 1 97 161 95 0 + -1 e 1 20 etot 1.3528E+20 mv 6 98 67 185 0 + 4 e 329 371 etot -8.8288E+01 mv 1 97 139 158 0 + 4 e 334 389 etot -7.3248E+01 mv 1 97 124 -127 0 + 4 e 473 354 etot -8.2436E+01 mv 1 97 1 -112 0 + -1 e 1 25 etot 1.3528E+20 mv 6 98 164 4 0 + -1 e 1 26 etot 1.3528E+20 mv 6 98 164 119 0 + 4 e 319 397 etot -8.0579E+01 mv 1 97 48 83 0 + -1 e 1 33 etot 1.3528E+20 mv 6 98 115 30 0 + -1 e 1 34 etot 1.3528E+20 mv 6 98 115 91 0 + 4 e 202 12 etot -7.8506E+01 mv 6 98 67 190 0 + 4 e 224 24 etot -7.6463E+01 mv 6 98 164 61 0 + 4 e 212 5 etot -8.4126E+01 mv 6 98 6 22 0 c 6 54.0 0.2 + 4 e 249 19 etot -9.1042E+01 mv 6 98 67 89 0 + 4 e 263 9 etot -8.8050E+01 mv 6 98 6 88 0 + 4 e 275 21 etot -7.5400E+01 mv 6 98 164 172 0 + 4 e 268 4 etot -7.9669E+01 mv 6 98 6 138 0 + 4 e 288 29 etot -8.2538E+01 mv 6 98 164 75 0 + 4 e 285 8 etot -8.3903E+01 mv 6 98 6 39 0 + 4 e 284 16 etot -9.1042E+01 mv 6 98 67 132 0 + 4 e 296 6 etot -8.0626E+01 mv 6 98 6 25 0 + 4 e 15 45 etot 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164 200 0 + 4 e 518 35 etot -7.8375E+01 mv 6 98 115 50 0 + 4 e 504 28 etot -7.8329E+01 mv 6 98 164 16 0 + 4 e 224 49 etot -9.0761E+01 mv 6 98 24 111 0 + 4 e 349 50 etot -8.6231E+01 mv 6 98 24 30 0 + 4 e 564 32 etot -8.3884E+01 mv 6 98 115 48 0 + 4 e 280 52 etot -8.8114E+01 mv 6 98 184 92 0 + -1 e 1 74 etot 1.3528E+20 mv 6 98 36 168 0 + 8 e 21 73 etot -6.3996E+01 mv 6 98 36 5 0 + -1 e 1 77 etot 1.3528E+20 mv 6 98 36 113 0 + 4 e 488 39 etot -8.4247E+01 mv 6 98 115 112 0 + 4 e 302 44 etot -7.6114E+01 mv 6 98 24 198 0 + 4 e 475 37 etot -7.8572E+01 mv 6 98 115 169 0 + -1 e 1 81 etot 2.3438E+26 mv 6 98 196 92 0 + 4 e 593 30 etot -7.9098E+01 mv 6 98 164 62 0 + 4 e 211 62 etot -8.3374E+01 mv 6 98 107 173 0 + -1 e 1 84 etot 1.3528E+20 mv 6 98 196 8 0 + 4 e 161 72 etot -6.3575E+01 mv 6 98 36 39 0 + 4 e 474 42 etot -8.0711E+01 mv 6 98 24 132 0 + -1 e 1 87 etot 2.9997E+29 mv 6 98 196 121 0 + 4 e 316 54 etot -7.2787E+01 mv 6 98 184 95 0 + 4 e 206 71 etot -8.6811E+01 mv 6 98 36 3 0 + 4 e 432 40 etot -8.2439E+01 mv 6 98 115 76 0 + 4 e 277 63 etot -8.4351E+01 mv 6 98 107 96 0 + 4 e 278 60 etot -8.9698E+01 mv 6 98 184 162 0 + 4 e 391 57 etot -9.0120E+01 mv 6 98 184 92 0 + 4 e 325 64 etot -8.8302E+01 mv 6 98 107 29 0 + 4 e 494 48 etot -6.7199E+01 mv 6 98 24 180 0 + 4 e 449 46 etot -8.5669E+01 mv 6 98 24 162 0 + 4 e 325 66 etot -7.5784E+01 mv 6 98 107 39 0 + 4 e 308 68 etot -7.9509E+01 mv 6 98 107 145 0 + 4 e 350 67 etot -7.2923E+01 mv 6 98 107 52 0 + 4 e 317 69 etot -7.4857E+01 mv 6 98 107 65 0 + 4 e 587 27 etot -8.3407E+01 mv 6 98 164 18 0 + 4 e 160 80 etot -8.6812E+01 mv 6 98 36 46 0 + 4 e 278 78 etot -7.8833E+01 mv 6 98 36 55 0 + 4 e 222 85 etot -8.5613E+01 mv 6 98 196 119 0 + 4 e 357 59 etot -8.6339E+01 mv 6 98 184 176 0 + 4 e 338 75 etot -7.0208E+01 mv 6 98 36 138 0 + 4 e 543 53 etot -8.2900E+01 mv 6 98 184 113 0 + 4 e 668 56 etot -6.5587E+01 mv 6 98 184 68 0 + 4 e 198 96 etot -8.8115E+01 mv 6 98 1 184 0 + 4 e 569 61 etot -8.7754E+01 mv 6 98 107 158 0 + 4 e 277 90 etot 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15 0 + -1 e 1 133 etot 1.3528E+20 mv 6 98 200 29 0 + 4 e 695 65 etot -8.1313E+01 mv 6 98 107 14 0 + 4 e 566 82 etot -8.3369E+01 mv 6 98 196 141 0 + 4 e 328 105 etot -7.7623E+01 mv 6 98 59 143 0 + 4 e 467 92 etot -8.8114E+01 mv 6 98 1 11 0 + 4 e 253 110 etot -8.9865E+01 mv 6 98 59 62 0 + 4 e 271 103 etot -8.3696E+01 mv 6 98 59 154 0 + 4 e 316 109 etot -7.8371E+01 mv 6 98 59 28 0 + 4 e 195 126 etot -6.6195E+01 mv 6 98 122 154 0 + 4 e 508 95 etot -7.8230E+01 mv 6 98 1 125 0 + 4 e 244 118 etot -8.9247E+01 mv 6 98 161 146 0 + 4 e 256 117 etot -8.9074E+01 mv 6 98 161 111 0 + 4 e 177 115 etot -8.9075E+01 mv 6 98 161 77 0 + 4 e 311 111 etot -8.5110E+01 mv 6 98 161 50 0 + 4 e 224 128 etot -7.1466E+01 mv 6 98 122 86 0 + 4 e 270 116 etot -8.1595E+01 mv 6 98 161 144 0 + 4 e 314 114 etot -8.4174E+01 mv 6 98 161 16 0 + -1 e 1 150 etot 1.3528E+20 mv 6 98 139 82 0 + 4 e 452 104 etot -8.4088E+01 mv 6 98 59 26 0 + 4 e 259 124 etot -8.8104E+01 mv 6 98 122 119 0 + 4 e 442 108 etot -8.6600E+01 mv 6 98 59 126 0 + 4 e 507 76 etot -8.2822E+01 mv 6 98 36 20 0 + 4 e 426 112 etot -8.9247E+01 mv 6 98 161 160 0 + 4 e 311 131 etot -7.5421E+01 mv 6 98 200 9 0 + 4 e 370 122 etot -7.4721E+01 mv 6 98 122 58 0 + 4 e 149 149 etot -6.9162E+01 mv 6 98 139 18 0 + -1 e 1 159 etot 1.3528E+20 mv 6 98 163 172 0 + -1 e 1 160 etot 1.3528E+20 mv 6 98 163 52 0 + 4 e 317 136 etot -7.8051E+01 mv 6 98 200 134 0 + 4 e 203 147 etot -8.5508E+01 mv 6 98 139 56 0 + 4 e 470 125 etot -7.5568E+01 mv 6 98 122 178 0 + 4 e 240 153 etot -6.7048E+01 mv 6 98 163 3 0 + 4 e 266 102 etot -7.5772E+01 mv 6 98 59 58 0 + 4 e 340 130 etot -8.0872E+01 mv 6 98 122 55 0 + 4 e 460 135 etot -7.5833E+01 mv 6 98 200 106 0 + -1 e 1 168 etot 1.3528E+20 mv 6 98 124 153 0 + 4 e 119 162 etot -8.4659E+01 mv 6 98 124 11 0 + 4 e 340 142 etot -7.5740E+01 mv 6 98 139 47 0 + 4 e 577 120 etot -8.1764E+01 mv 6 98 161 96 0 + 4 e 276 154 etot -6.7495E+01 mv 6 98 163 180 0 + 4 e 518 132 etot -8.0037E+01 mv 6 98 200 43 0 + 4 e 327 148 etot -7.6889E+01 mv 6 98 139 14 0 + 4 e 436 138 etot -7.7968E+01 mv 6 98 200 199 0 + 4 e 409 121 etot -8.5015E+01 mv 6 98 122 170 0 + 4 e 231 156 etot -7.1489E+01 mv 6 98 163 106 0 + 4 e 427 141 etot -8.0800E+01 mv 6 98 139 125 0 + 4 e 270 146 etot -7.6367E+01 mv 6 98 139 141 0 + 4 e 496 137 etot -7.9645E+01 mv 6 98 200 14 0 + 4 e 379 134 etot -8.2385E+01 mv 6 98 200 58 0 + 4 e 251 161 etot -8.5786E+01 mv 6 98 124 61 0 + 4 e 506 139 etot -7.9998E+01 mv 6 98 200 57 0 + 4 e 464 143 etot -7.6997E+01 mv 6 98 139 70 0 + -1 e 1 185 etot 9.3291E+21 mv 6 98 174 148 0 + 4 e 276 163 etot -8.4272E+01 mv 6 98 124 4 0 + 4 e 519 144 etot -8.3688E+01 mv 6 98 139 8 0 + 4 e 192 172 etot -8.6138E+01 mv 6 98 183 81 0 + 4 e 503 151 etot -8.5918E+01 mv 6 98 163 16 0 + 4 e 219 174 etot -8.6181E+01 mv 6 98 183 37 0 + 4 e 401 158 etot -8.7636E+01 mv 6 98 163 47 0 + 4 e 258 129 etot -8.7428E+01 mv 6 98 122 196 0 + 4 e 243 176 etot -8.5429E+01 mv 6 98 183 128 0 + 4 e 237 178 etot -7.4240E+01 mv 6 98 183 146 0 + 4 e 471 157 etot 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98 115 106 0 + 4 e 254 206 etot -9.1042E+01 mv 2 98 67 -22 0 c 67 1.8 0.0 + 4 e 165 220 etot -8.4917E+01 mv 2 98 115 33 0 + 4 e 276 207 etot -6.0705E+01 mv 2 98 67 -116 0 + 4 e 144 225 etot -6.5482E+01 mv 2 98 24 -114 0 + 4 e 234 203 etot -7.0263E+01 mv 2 98 6 -114 0 + 4 e 373 202 etot -6.5726E+01 mv 2 98 6 -65 0 + 4 e 261 193 etot -8.2462E+01 mv 6 98 41 169 0 + 4 e 354 208 etot -8.9124E+01 mv 2 98 67 48 0 + 4 e 369 214 etot -7.4598E+01 mv 2 98 164 -60 0 + 4 e 114 238 etot -8.8215E+01 mv 2 98 36 102 0 + 4 e 476 204 etot -7.9209E+01 mv 2 98 6 -119 0 + 4 e 266 231 etot -8.9285E+01 mv 2 98 107 50 0 + 4 e 605 191 etot -8.5076E+01 mv 6 98 41 109 0 + 4 e 440 211 etot -8.1527E+01 mv 2 98 164 -4 0 + 4 e 297 216 etot -8.2606E+01 mv 2 98 115 -174 0 + 4 e 238 237 etot -7.5728E+01 mv 2 98 36 -125 0 + -1 e 1 252 etot 1.3528E+20 mv 2 98 59 17 0 + 4 e 315 232 etot -7.5859E+01 mv 2 98 107 1 0 + 4 e 151 241 etot -8.8871E+01 mv 2 98 196 191 0 + -1 e 1 255 etot 1.3528E+20 mv 2 98 59 -67 0 + 4 e 491 218 etot -8.4916E+01 mv 2 98 115 -162 0 + 4 e 616 201 etot -8.6796E+01 mv 2 98 6 -130 0 + 4 e 360 235 etot -7.7882E+01 mv 2 98 107 165 0 + 4 e 173 243 etot -8.8871E+01 mv 2 98 196 110 0 + -1 e 1 260 etot 1.3528E+20 mv 2 98 161 -10 0 + 4 e 173 247 etot -7.2624E+01 mv 2 98 1 -195 0 + -1 e 1 261 etot 1.3528E+20 mv 2 98 122 -70 0 + 4 e 313 239 etot -8.2463E+01 mv 2 98 36 145 0 + 4 e 486 223 etot -7.1398E+01 mv 2 98 24 -54 0 + 4 e 477 226 etot -7.8746E+01 mv 2 98 184 -38 0 + 4 e 494 222 etot -6.8633E+01 mv 2 98 24 -79 0 + 4 e 340 224 etot -7.6027E+01 mv 2 98 24 45 0 + -1 e 1 267 etot 1.3528E+20 mv 2 98 200 134 0 + 4 e 383 236 etot -8.1515E+01 mv 2 98 36 -82 0 + 4 e 526 219 etot -8.0490E+01 mv 2 98 115 -87 0 + 4 e 313 234 etot -7.8270E+01 mv 2 98 107 1 0 + 4 e 188 250 etot -8.8115E+01 mv 2 98 1 45 0 + 4 e 236 248 etot -7.6540E+01 mv 2 98 1 174 0 + 4 e 526 230 etot -8.1259E+01 mv 2 98 184 68 0 + 4 e 539 229 etot -7.6923E+01 mv 2 98 184 -54 0 + 4 e 259 249 etot -5.8442E+01 mv 2 98 1 -4 0 + -1 e 1 277 etot 4.0005E+23 mv 2 98 163 88 0 + 4 e 559 227 etot -7.8278E+01 mv 2 98 184 -5 0 + 4 e 442 242 etot -7.4398E+01 mv 2 98 196 1 0 + 4 e 450 240 etot -8.0562E+01 mv 2 98 36 -163 0 + 4 e 499 215 etot -7.5013E+01 mv 2 98 164 33 0 + 4 e 410 228 etot -7.9679E+01 mv 2 98 184 198 0 + 4 e 141 265 etot -8.8104E+01 mv 2 98 122 92 0 + 4 e 369 246 etot -8.8114E+01 mv 2 98 1 157 0 + 4 e 305 254 etot -6.6826E+01 mv 2 98 59 -26 0 + 4 e 448 221 etot -9.0760E+01 mv 2 98 24 -161 0 + 4 e 217 251 etot -8.8270E+01 mv 2 98 59 -56 0 + -1 e 1 288 etot 1.3528E+20 mv 2 98 183 -107 0 + 4 e 214 262 etot -7.4946E+01 mv 2 98 122 -125 0 + -1 e 1 290 etot 1.3528E+20 mv 2 98 183 -98 0 + 4 e 266 259 etot -7.7264E+01 mv 2 98 161 56 0 + -1 e 1 292 etot 1.3528E+20 mv 2 98 174 -90 0 + 4 e 241 271 etot -7.0229E+01 mv 2 98 139 24 0 + 4 e 504 244 etot -7.8878E+01 mv 2 98 196 9 0 + 4 e 167 268 etot -8.8060E+01 mv 2 98 200 -185 0 + 4 e 229 274 etot -7.0432E+01 mv 2 98 139 -121 0 + 4 e 252 273 etot -8.8359E+01 mv 2 98 139 199 0 + 4 e 272 266 etot -8.8059E+01 mv 2 98 200 83 0 + 4 e 195 276 etot -8.7894E+01 mv 2 98 163 79 0 + 4 e 452 253 etot -8.8268E+01 mv 2 98 59 79 0 + 4 e 562 245 etot -8.8628E+01 mv 2 98 196 169 0 + 4 e 425 257 etot -8.2538E+01 mv 2 98 161 -32 0 + 4 e 155 291 etot -8.7411E+01 mv 2 98 174 1 0 + 4 e 304 278 etot -8.1582E+01 mv 2 98 163 -26 0 + 4 e 335 275 etot -8.2538E+01 mv 2 98 139 154 0 + 4 e 400 269 etot -7.6595E+01 mv 2 98 200 91 0 + 4 e 273 281 etot -8.6434E+01 mv 2 98 124 150 0 c 102 228.2 1.2 + 4 e 280 284 etot -8.7459E+01 mv 2 98 124 13 0 + 4 e 197 294 etot -6.7447E+01 mv 2 98 174 -119 0 + 4 e 295 285 etot -8.8097E+01 mv 2 98 124 -179 0 + 4 e 340 279 etot -6.9204E+01 mv 2 98 163 129 0 + 4 e 506 258 etot -8.6442E+01 mv 2 98 161 -16 0 + 4 e 193 299 etot -8.7381E+01 mv 2 98 41 177 0 + 4 e 344 280 etot -8.7893E+01 mv 2 98 163 -46 0 + 4 e 427 256 etot -7.9204E+01 mv 2 98 161 -1 0 + 4 e 265 282 etot -7.5387E+01 mv 2 98 124 13 0 + -1 e 1 317 etot 1.3528E+20 mv 1 98 115 179 0 + 4 e 246 300 etot -8.6975E+01 mv 2 98 41 -109 0 + 4 e 230 301 etot -8.3904E+01 mv 1 98 6 -148 0 + 4 e 273 297 etot -8.4589E+01 mv 2 98 41 -51 0 + 4 e 169 307 etot -6.8026E+01 mv 1 98 67 -143 0 + 4 e 361 293 etot -8.4996E+01 mv 2 98 174 -128 0 + 4 e 219 304 etot -8.3903E+01 mv 1 98 6 137 0 + 4 e 602 270 etot -8.1095E+01 mv 2 98 200 71 0 + 4 e 161 313 etot -8.3710E+01 mv 1 98 164 -120 0 + 4 e 358 298 etot -7.8272E+01 mv 2 98 41 -26 0 + 4 e 335 283 etot -8.4825E+01 mv 2 98 124 103 0 + 4 e 190 310 etot -6.6983E+01 mv 1 98 67 -193 0 + -1 e 1 329 etot 1.3528E+20 mv 1 98 184 127 0 + 4 e 236 308 etot -9.1042E+01 mv 1 98 67 155 0 + 4 e 253 305 etot -8.3903E+01 mv 1 98 6 -18 0 + 4 e 310 303 etot -8.3903E+01 mv 1 98 6 -137 0 + 4 e 282 296 etot -7.6857E+01 mv 2 98 41 132 0 + 4 e 506 286 etot -8.2824E+01 mv 2 98 183 -184 0 + 4 e 211 314 etot -8.3710E+01 mv 1 98 164 -192 0 + 4 e 492 263 etot -8.9189E+01 mv 2 98 122 141 0 + 4 e 288 306 etot -8.8316E+01 mv 1 98 67 -119 0 + 4 e 504 272 etot -7.8899E+01 mv 2 98 139 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mv 1 98 115 98 0 + 4 e 518 315 etot -8.2705E+01 mv 1 98 164 -9 0 + -1 e 1 361 etot 1.3528E+20 mv 1 98 122 -126 0 + 4 e 122 350 etot -6.3220E+01 mv 1 98 1 -54 0 + 4 e 180 339 etot -8.8215E+01 mv 1 98 36 -40 0 + 4 e 448 322 etot -7.9662E+01 mv 1 98 24 -174 0 + 4 e 621 287 etot -8.3450E+01 mv 2 98 183 177 0 + 4 e 368 338 etot -8.0467E+01 mv 1 98 36 32 0 + 4 e 504 323 etot -7.8406E+01 mv 1 98 24 -148 0 + 4 e 441 330 etot -7.8745E+01 mv 1 98 184 101 0 + 4 e 222 347 etot -7.1652E+01 mv 1 98 1 102 0 + 4 e 262 345 etot -8.5325E+01 mv 1 98 196 -15 0 + 4 e 307 340 etot -7.9911E+01 mv 1 98 36 -125 0 + -1 e 1 372 etot 1.3528E+20 mv 1 98 139 -153 0 + 4 e 288 337 etot -8.8172E+01 mv 1 98 36 -66 0 + 4 e 221 352 etot -8.8270E+01 mv 1 98 59 86 0 + 4 e 415 318 etot -8.2606E+01 mv 1 98 115 21 0 + 4 e 245 348 etot -8.8082E+01 mv 1 98 1 -28 0 + 4 e 605 319 etot -7.9179E+01 mv 1 98 115 -72 0 + 4 e 302 346 etot -8.8115E+01 mv 1 98 1 -68 0 + 4 e 495 333 etot -8.9282E+01 mv 1 98 107 -19 0 + 4 e 256 353 etot -8.8270E+01 mv 1 98 59 -125 0 + 4 e 294 351 etot -8.7872E+01 mv 1 98 59 -148 0 + 4 e 344 349 etot -8.7907E+01 mv 1 98 1 60 0 + 4 e 268 359 etot -8.9075E+01 mv 1 98 161 41 0 + 4 e 328 354 etot -8.7699E+01 mv 1 98 59 -103 0 + 4 e 302 343 etot -7.2282E+01 mv 1 98 196 -56 0 + 4 e 339 357 etot -8.7723E+01 mv 1 98 161 -184 0 + 4 e 189 370 etot -8.8060E+01 mv 1 98 200 -165 0 + 4 e 461 328 etot -9.0191E+01 mv 1 98 184 -200 0 + 4 e 520 341 etot -8.3453E+01 mv 1 98 196 -191 0 + 4 e 301 365 etot -8.7233E+01 mv 1 98 122 -157 0 + 4 e 334 362 etot -8.8082E+01 mv 1 98 122 74 0 + 4 e 215 373 etot -8.8359E+01 mv 1 98 139 5 0 + 4 e 471 334 etot -8.9284E+01 mv 1 98 107 -103 0 + 4 e 228 371 etot -8.8359E+01 mv 1 98 139 176 0 + 4 e 216 366 etot -8.8060E+01 mv 1 98 200 -119 0 + 4 e 248 375 etot -8.7960E+01 mv 1 98 139 -94 0 + 4 e 215 381 etot -8.8097E+01 mv 1 98 124 101 0 + 4 e 306 369 etot -8.7689E+01 mv 1 98 200 32 0 + 4 e 236 379 etot -6.9984E+01 mv 1 98 163 -158 0 + 4 e 241 364 etot -8.6193E+01 mv 1 98 122 63 0 + 4 e 564 344 etot -8.0061E+01 mv 1 98 196 -106 0 + 4 e 228 380 etot -8.7611E+01 mv 1 98 163 42 0 + 4 e 323 368 etot -8.8059E+01 mv 1 98 200 117 0 + 4 e 11 404 etot -8.4917E+01 mv 0 98 115 0 0 c 115 0.0 0.0 + 4 e 2 405 etot -9.0761E+01 mv 0 98 24 0 0 + 4 e 383 367 etot -8.1802E+01 mv 1 98 200 30 0 + 4 e 18 407 etot -8.9285E+01 mv 0 98 107 0 0 + 4 e 2 408 etot -8.8216E+01 mv 0 98 36 0 0 + 4 e 2 409 etot -8.8871E+01 mv 0 98 196 0 0 + 4 e 2 410 etot -8.8115E+01 mv 0 98 1 0 0 + 4 e 72 406 etot -9.0194E+01 mv 0 98 184 0 0 c 184 0.1 0.0 + 4 e 2 412 etot -8.9075E+01 mv 0 98 161 0 0 + 4 e 92 402 etot -9.1042E+01 mv 0 98 67 0 0 c 67 1.6 0.0 + 4 e 2 413 etot -8.8104E+01 mv 0 98 122 0 0 + 4 e 2 415 etot -8.8359E+01 mv 0 98 139 0 0 + 4 e 11 414 etot -8.8060E+01 mv 0 98 200 0 0 + 4 e 2 417 etot -8.8097E+01 mv 0 98 124 0 0 + 4 e 309 382 etot -8.8097E+01 mv 1 98 124 146 0 + 4 e 24 411 etot -8.8270E+01 mv 0 98 59 0 0 c 59 0.0 0.0 +## N0 total= 24 close= 10 far= 0 %acc 41.7 +## N1 total= 96 close= 1 far= 0 %acc 1.0 +## N2 total= 100 close= 4 far= 0 %acc 4.0 +## N3 total= 0 close= 0 far= 0 %acc 0.0 +## N4 total= 0 close= 0 far= 0 %acc 0.0 +## N5 total= 0 close= 0 far= 0 %acc 0.0 +## N6 total= 200 close= 4 far= 0 %acc 2.0 +## N7 total= 0 close= 0 far= 0 %acc 0.0 +## N8 total= 0 close= 0 far= 0 %acc 0.0 +## N9 total= 0 close= 0 far= 0 %acc 0.0 +##N10 total= 0 close= 0 far= 0 %acc 0.0 +##N11 total= 0 close= 0 far= 0 %acc 0.0 +##N12 total= 0 close= 0 far= 0 %acc 0.0 +##N13 total= 0 close= 0 far= 0 %acc 0.0 +##N14 total= 0 close= 0 far= 0 %acc 0.0 +##N15 total= 0 close= 0 far= 0 %acc 0.0 +##N16 total= 0 close= 0 far= 0 %acc 0.0 +##N17 total= 0 close= 0 far= 0 %acc 0.0 +##N18 total= 0 close= 0 far= 0 %acc 0.0 + Time for refresh 99 0.31 + make_var : nseed= 20 ntry= 420 + Time for make trial 100 0.05 +Nonsetup time 191.68 sec, Eval/s = 65227.51 +Time for iter 100 1.73 sec, Eval/s = 68849.55 + UPDATING 420 + 4 e 715 384 etot -8.4697E+01 mv 1 98 124 -34 0 + 4 e 515 398 etot -8.7379E+01 mv 1 98 41 -117 0 + 4 e 529 399 etot -7.6300E+01 mv 1 98 41 189 0 + 4 e 284 395 etot -8.7411E+01 mv 1 98 174 -117 0 + 4 e 2 418 etot -8.7603E+01 mv 0 98 183 0 0 + 4 e 73 416 etot -8.7894E+01 mv 0 98 163 0 0 c 163 0.7 0.0 + 4 e 633 363 etot -8.8100E+01 mv 1 98 122 -81 0 + 4 e 306 383 etot -8.8096E+01 mv 1 98 124 -79 0 + 4 e 580 377 etot -8.0841E+01 mv 1 98 163 -35 0 + 4 e 556 390 etot -8.7601E+01 mv 1 98 183 -71 0 + 4 e 194 391 etot -8.6925E+01 mv 1 98 174 100 0 + 4 e 560 378 etot -7.6897E+01 mv 1 98 163 58 0 + 4 e 13 419 etot -8.7411E+01 mv 0 98 174 0 0 c 174 0.0 0.0 + 4 e 2 420 etot -8.7381E+01 mv 0 98 41 0 0 + -1 e 1 5 etot 1.3528E+20 mv 6 99 6 91 0 + 4 e 344 393 etot -8.7410E+01 mv 1 98 174 36 0 + 4 e 226 388 etot -8.7603E+01 mv 1 98 183 -79 0 + 4 e 114 403 etot -8.3710E+01 mv 0 98 164 0 0 c 164 1.0 0.0 + 4 e 656 358 etot -8.2538E+01 mv 1 98 161 -177 0 + 4 e 323 392 etot -8.7410E+01 mv 1 98 174 28 0 + -1 e 1 13 etot 1.3528E+20 mv 6 99 102 92 0 + -1 e 1 12 etot 1.3528E+20 mv 6 99 102 118 0 + 4 e 353 387 etot -8.5429E+01 mv 1 98 183 -9 0 + 4 e 217 397 etot -8.6042E+01 mv 1 98 41 59 0 + 4 e 341 385 etot -8.8097E+01 mv 1 98 124 -146 0 + -1 e 1 17 etot 1.3528E+20 mv 6 99 102 36 0 + -1 e 1 16 etot 1.3528E+20 mv 6 99 102 85 0 + 4 e 220 400 etot -8.7381E+01 mv 1 98 41 142 0 + 4 e 391 374 etot -8.4300E+01 mv 1 98 139 -89 0 + 4 e 124 389 etot -8.7603E+01 mv 1 98 183 77 0 + 4 e 409 376 etot -8.7893E+01 mv 1 98 163 -3 0 + 4 e 100 401 etot -8.3904E+01 mv 0 98 6 0 0 + -1 e 1 22 etot 1.3528E+20 mv 6 99 111 105 0 + 4 e 328 394 etot -8.1883E+01 mv 1 98 174 -3 0 + 4 e 296 386 etot -8.7602E+01 mv 1 98 183 -18 0 + 4 e 586 360 etot -7.8224E+01 mv 1 98 161 -65 0 + -1 e 1 27 etot 1.3528E+20 mv 6 99 111 101 0 + -1 e 1 31 etot 1.3528E+20 mv 6 99 124 139 0 + 4 e 123 396 etot -8.7381E+01 mv 1 98 41 -77 0 + -1 e 1 33 etot 1.3528E+20 mv 6 99 124 149 0 + -1 e 1 38 etot 1.3528E+20 mv 6 99 124 33 0 + -1 e 1 39 etot 1.3528E+20 mv 6 99 124 120 0 + 4 e 2 37 etot -8.4094E+01 mv 6 99 124 114 0 + 8 e 65 6 etot -6.3986E+01 mv 6 99 6 44 0 + 4 e 152 21 etot -7.5983E+01 mv 6 99 111 10 0 + 4 e 152 43 etot -8.6899E+01 mv 6 99 122 50 0 + -1 e 1 46 etot 1.3528E+20 mv 6 99 122 5 0 + 4 e 173 4 etot -7.3067E+01 mv 6 99 6 48 0 + 4 e 131 44 etot -7.0174E+01 mv 6 99 122 37 0 + 4 e 226 8 etot -8.4126E+01 mv 6 99 6 145 0 c 6 1.8 0.0 + 4 e 235 30 etot -8.5624E+01 mv 6 99 111 2 0 + 4 e 268 14 etot -8.6434E+01 mv 6 99 102 109 0 c 102 2.2 0.0 + 4 e 277 10 etot -8.0865E+01 mv 6 99 6 42 0 + 4 e 131 48 etot -8.3298E+01 mv 6 99 122 170 0 c 170 0.5 0.0 + 4 e 258 28 etot -8.5552E+01 mv 6 99 111 43 0 + 4 e 319 7 etot -8.5120E+01 mv 6 99 6 137 0 + 4 e 299 2 etot -7.8233E+01 mv 6 99 6 52 0 + 4 e 294 3 etot -8.4126E+01 mv 6 99 6 26 0 + 4 e 316 41 etot -8.3031E+01 mv 6 99 122 176 0 + 4 e 2 59 etot -8.6119E+01 mv 6 99 184 128 0 + 4 e 340 25 etot -7.8200E+01 mv 6 99 111 83 0 + 4 e 348 19 etot -7.5331E+01 mv 6 99 102 77 0 + 4 e 331 9 etot -7.7262E+01 mv 6 99 6 39 0 + 4 e 352 24 etot -8.6959E+01 mv 6 99 111 157 0 c 157 35.2 0.2 + -1 e 1 64 etot 1.3528E+20 mv 6 99 161 85 0 + 4 e 382 35 etot -8.5380E+01 mv 6 99 124 49 0 + 4 e 414 36 etot -8.1848E+01 mv 6 99 124 133 0 + 4 e 421 11 etot -8.4259E+01 mv 6 99 102 161 0 + 4 e 417 23 etot -8.2012E+01 mv 6 99 111 143 0 + 4 e 2 69 etot -8.8055E+01 mv 6 99 161 153 0 + 4 e 538 15 etot -8.0528E+01 mv 6 99 102 29 0 + 4 e 428 29 etot -8.5951E+01 mv 6 99 111 190 0 c 17 58.1 0.3 + 4 e 420 20 etot -8.8096E+01 mv 6 99 102 121 0 + 4 e 189 53 etot -7.2456E+01 mv 6 99 184 47 0 + 4 e 453 40 etot -8.6405E+01 mv 6 99 124 66 0 + 4 e 472 18 etot -7.9714E+01 mv 6 99 102 84 0 + 4 e 331 47 etot -8.1794E+01 mv 6 99 122 159 0 + 4 e 320 54 etot -9.0193E+01 mv 6 99 184 97 0 + -1 e 1 78 etot 1.3528E+20 mv 6 99 119 76 0 + -1 e 1 79 etot 1.3528E+20 mv 6 99 119 141 0 + 4 e 241 52 etot -8.5767E+01 mv 6 99 184 7 0 + -1 e 1 81 etot 1.3528E+20 mv 6 99 36 34 0 + 4 e 588 1 etot -8.6659E+01 mv 6 99 6 141 0 + 4 e 540 34 etot -8.1563E+01 mv 6 99 124 6 0 + 4 e 78 74 etot -8.4675E+01 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total= 0 close= 0 far= 0 %acc 0.0 + Time for refresh 100 0.27 + make_var : nseed= 20 ntry= 420 + Time for make trial 101 0.05 +Nonsetup time 193.43 sec, Eval/s = 65271.20 +Time for iter 101 1.74 sec, Eval/s = 70077.99 + UPDATING 420 + 4 e 12 416 etot -8.9285E+01 mv 0 99 107 0 0 c 107 0.0 0.0 + 4 e 431 399 etot -8.1766E+01 mv 1 99 183 -90 0 + 4 e 285 400 etot -8.5255E+01 mv 1 99 183 -26 0 + 4 e 104 402 etot -8.6435E+01 mv 0 99 102 0 0 c 102 0.7 0.0 + 4 e 498 384 etot -6.8842E+01 mv 1 99 200 -66 0 + 4 e 372 375 etot -8.8358E+01 mv 1 99 139 -23 0 + 4 e 497 370 etot -7.8247E+01 mv 1 99 8 139 0 + 4 e 579 397 etot -8.7601E+01 mv 1 99 183 168 0 + 4 e 634 364 etot -8.2262E+01 mv 1 99 1 51 0 + 4 e 241 387 etot -8.8055E+01 mv 1 99 153 55 0 + -1 e 1 2 etot 1.3528E+20 mv 6 100 17 44 0 + 4 e 28 417 etot -8.8060E+01 mv 0 99 200 0 0 c 200 0.0 0.0 + 4 e 444 398 etot -7.8739E+01 mv 1 99 183 -133 0 + 4 e 37 419 etot -8.7894E+01 mv 0 99 163 0 0 c 163 0.7 0.0 + 4 e 290 393 etot -8.7894E+01 mv 1 99 163 16 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-8.8215E+01 mv 2 100 36 -63 0 + 4 e 645 200 etot -8.6965E+01 mv 6 100 183 8 0 c 99 239.8 0.5 + 4 e 486 212 etot -7.0421E+01 mv 2 100 21 -125 0 + 4 e 250 237 etot -8.9075E+01 mv 2 100 161 40 0 + 4 e 263 236 etot -7.0875E+01 mv 2 100 161 -193 0 + 4 e 209 242 etot -7.6809E+01 mv 2 100 36 160 0 + 4 e 432 223 etot -9.0336E+01 mv 2 100 40 47 0 + 4 e 247 241 etot -8.8215E+01 mv 2 100 36 132 0 + 4 e 140 257 etot -6.9144E+01 mv 2 100 200 77 0 + 4 e 567 188 etot -7.6216E+01 mv 6 100 59 142 0 + 4 e 404 233 etot -8.4827E+01 mv 2 100 107 -196 0 + 4 e 257 244 etot -8.1371E+01 mv 2 100 36 -132 0 + 4 e 270 235 etot -7.2542E+01 mv 2 100 107 -30 0 + 4 e 348 224 etot -8.2055E+01 mv 2 100 40 -121 0 + 4 e 233 247 etot -7.1848E+01 mv 2 100 1 14 0 + 4 e 460 232 etot -6.8362E+01 mv 2 100 107 -193 0 + -1 e 1 275 etot 1.1896E+26 mv 2 100 163 162 0 + 4 e 273 248 etot -7.5823E+01 mv 2 100 1 157 0 + 4 e 179 263 etot -7.5721E+01 mv 2 100 153 -7 0 + 4 e 597 221 etot -8.5854E+01 mv 2 100 40 158 0 + -1 e 1 279 etot 1.3528E+20 mv 2 100 79 -2 0 + 4 e 379 231 etot -8.2932E+01 mv 2 100 107 -51 0 + 4 e 399 225 etot -7.7453E+01 mv 2 100 40 20 0 + 4 e 396 227 etot -8.2778E+01 mv 2 100 139 -38 0 + 4 e 284 254 etot -8.8827E+01 mv 2 100 196 56 0 + 4 e 246 264 etot -7.5642E+01 mv 2 100 153 -105 0 + 4 e 244 262 etot -7.6756E+01 mv 2 100 153 174 0 + 4 e 335 255 etot -7.4398E+01 mv 2 100 196 -111 0 + -1 e 1 287 etot 3.4419E+22 mv 2 100 124 138 0 + 4 e 519 239 etot -7.6240E+01 mv 2 100 161 -68 0 + -1 e 1 289 etot 1.3528E+20 mv 2 100 124 32 0 + 4 e 243 256 etot -8.8060E+01 mv 2 100 200 138 0 + 4 e 431 246 etot -8.5950E+01 mv 2 100 1 -199 0 + 4 e 354 261 etot -8.4651E+01 mv 2 100 153 164 0 + 4 e 230 274 etot -6.8578E+01 mv 2 100 163 -130 0 + 4 e 388 259 etot -8.6913E+01 mv 2 100 200 -72 0 + 4 e 199 276 etot -8.9605E+01 mv 2 100 79 96 0 + 4 e 170 278 etot -8.9605E+01 mv 2 100 79 -149 0 + 4 e 283 270 etot -9.0193E+01 mv 2 100 184 -172 0 + 4 e 428 260 etot -8.1094E+01 mv 2 100 200 -97 0 + 4 e 323 268 etot -7.8746E+01 mv 2 100 184 82 0 + 4 e 535 245 etot -8.1303E+01 mv 2 100 36 -158 0 + 4 e 243 277 etot -8.9605E+01 mv 2 100 79 -81 0 + 4 e 304 271 etot -7.8549E+01 mv 2 100 163 91 0 + 4 e 157 290 etot -6.8102E+01 mv 2 100 124 -129 0 + 4 e 162 288 etot -8.8393E+01 mv 2 100 124 -66 0 + 4 e 524 250 etot -8.7938E+01 mv 2 100 1 -15 0 + 4 e 353 258 etot -7.5602E+01 mv 2 100 200 -89 0 + 4 e 458 265 etot -8.4237E+01 mv 2 100 153 -114 0 + 4 e 452 266 etot -9.0192E+01 mv 2 100 184 144 0 + 4 e 164 293 etot -8.8270E+01 mv 2 100 59 55 0 + 4 e 264 286 etot -8.7582E+01 mv 2 100 124 171 0 + 4 e 265 285 etot -8.7523E+01 mv 2 100 122 -83 0 + 4 e 483 267 etot -8.3565E+01 mv 2 100 184 187 0 + 4 e 622 251 etot -7.8877E+01 mv 2 100 196 -143 0 + 4 e 174 298 etot -8.7603E+01 mv 2 100 183 186 0 + 4 e 390 280 etot -7.1180E+01 mv 2 100 79 -72 0 + 4 e 262 281 etot -8.8104E+01 mv 2 100 122 27 0 + -1 e 1 317 etot 1.3528E+20 mv 1 100 24 114 0 + 4 e 332 272 etot -7.7417E+01 mv 2 100 163 -5 0 + 4 e 224 299 etot -8.6615E+01 mv 2 100 183 -163 0 + 4 e 241 291 etot -8.8270E+01 mv 2 100 59 66 0 + 4 e 380 269 etot -7.7002E+01 mv 2 100 184 -143 0 + 4 e 232 305 etot -8.5954E+01 mv 1 100 17 70 0 c 17 1.4 0.0 + 4 e 374 292 etot -7.2307E+01 mv 2 100 59 -8 0 + -1 e 1 324 etot 1.3528E+20 mv 1 100 40 108 0 + 4 e 333 295 etot -7.8809E+01 mv 2 100 59 131 0 + -1 e 1 326 etot 1.3528E+20 mv 1 100 139 196 0 + 4 e 388 273 etot -8.7893E+01 mv 2 100 163 -19 0 + 4 e 308 301 etot -7.1428E+01 mv 1 100 17 156 0 + 4 e 492 284 etot -7.9056E+01 mv 2 100 122 31 0 + 4 e 384 296 etot -8.7602E+01 mv 2 100 183 73 0 + 4 e 252 308 etot -7.3148E+01 mv 1 100 157 117 0 + 4 e 305 306 etot -8.6959E+01 mv 1 100 157 -119 0 + 4 e 343 300 etot -8.4973E+01 mv 2 100 183 163 0 + 4 e 248 311 etot -8.5581E+01 mv 1 100 21 120 0 + 4 e 226 313 etot -8.5639E+01 mv 1 100 21 166 0 + 4 e 129 318 etot -9.0761E+01 mv 1 100 24 133 0 + 4 e 445 297 etot -6.6445E+01 mv 2 100 183 -154 0 + 4 e 190 320 etot -8.1170E+01 mv 1 100 24 186 0 + 4 e 422 302 etot -7.8447E+01 mv 1 100 17 -141 0 + 4 e 397 304 etot -7.8875E+01 mv 1 100 17 -68 0 + 4 e 426 283 etot -8.8103E+01 mv 2 100 122 129 0 + 4 e 285 315 etot -8.3293E+01 mv 1 100 21 104 0 + 4 e 141 331 etot -6.6980E+01 mv 1 100 107 -22 0 + 4 e 291 316 etot -9.0761E+01 mv 1 100 24 178 0 + 4 e 473 282 etot -8.4902E+01 mv 2 100 122 161 0 + 4 e 580 294 etot -7.8406E+01 mv 2 100 59 -183 0 + 4 e 434 312 etot -8.5936E+01 mv 1 100 21 109 0 + 4 e 293 325 etot -8.8749E+01 mv 1 100 40 21 0 + 4 e 231 321 etot -9.0337E+01 mv 1 100 40 75 0 + 4 e 314 327 etot -7.6958E+01 mv 1 100 139 -163 0 + 4 e 273 319 etot -8.7629E+01 mv 1 100 24 119 0 + 4 e 285 334 etot -8.5571E+01 mv 1 100 107 13 0 + 4 e 518 314 etot -8.0725E+01 mv 1 100 21 -181 0 + 4 e 648 303 etot -8.6958E+01 mv 1 100 17 140 0 + 4 e 387 329 etot -8.8358E+01 mv 1 100 139 -177 0 + 4 e 258 340 etot -8.9074E+01 mv 1 100 161 17 0 + 4 e 326 336 etot -8.8883E+01 mv 1 100 161 168 0 + 4 e 457 323 etot -7.4779E+01 mv 1 100 40 190 0 + 4 e 247 345 etot -8.1537E+01 mv 1 100 36 134 0 + 4 e 624 310 etot -7.8350E+01 mv 1 100 157 6 0 + 4 e 275 344 etot -8.0300E+01 mv 1 100 36 -79 0 + 4 e 402 333 etot -8.9283E+01 mv 1 100 107 198 0 + 4 e 315 343 etot -8.7196E+01 mv 1 100 36 -156 0 + 4 e 344 341 etot -8.8214E+01 mv 1 100 36 -136 0 + 4 e 502 307 etot -8.2476E+01 mv 1 100 157 -196 0 + -1 e 1 366 etot 1.3528E+20 mv 1 100 184 -86 0 + 4 e 715 309 etot -8.2477E+01 mv 1 100 157 -151 0 + 4 e 463 332 etot -7.3025E+01 mv 1 100 107 -157 0 + 4 e 257 349 etot -8.6676E+01 mv 1 100 1 -74 0 + 4 e 386 322 etot -8.9844E+01 mv 1 100 40 144 0 + 4 e 432 338 etot -8.2077E+01 mv 1 100 161 -70 0 + 4 e 518 330 etot -5.3706E+01 mv 1 100 139 -64 0 + 4 e 274 342 etot -7.8258E+01 mv 1 100 36 70 0 + 4 e 395 328 etot -8.6915E+01 mv 1 100 139 125 0 + 4 e 218 353 etot -8.8871E+01 mv 1 100 196 -66 0 + 4 e 279 354 etot -6.9311E+01 mv 1 100 196 -16 0 + 4 e 412 347 etot -8.7203E+01 mv 1 100 1 -33 0 + 4 e 261 355 etot -8.8871E+01 mv 1 100 196 -49 0 + 4 e 206 361 etot -8.7944E+01 mv 1 100 153 -76 0 + 4 e 600 335 etot -8.9283E+01 mv 1 100 107 -130 0 + 4 e 287 350 etot -8.7003E+01 mv 1 100 1 -146 0 + 4 e 192 368 etot -9.0193E+01 mv 1 100 184 -100 0 + 4 e 265 363 etot -7.5641E+01 mv 1 100 153 -148 0 + 4 e 319 357 etot -8.8059E+01 mv 1 100 200 -173 0 + 4 e 321 358 etot -8.8059E+01 mv 1 100 200 -46 0 + 4 e 426 351 etot -8.8558E+01 mv 1 100 196 169 0 + 4 e 362 356 etot -8.8059E+01 mv 1 100 200 141 0 + 4 e 206 373 etot -8.7600E+01 mv 1 100 163 45 0 + 4 e 143 377 etot -6.1302E+01 mv 1 100 79 -116 0 + -1 e 1 370 etot 1.3528E+20 mv 1 100 184 -165 0 + 4 e 530 348 etot -8.1768E+01 mv 1 100 1 -122 0 + -1 e 1 392 etot 1.3528E+20 mv 1 100 59 -89 0 + 4 e 292 365 etot -8.7944E+01 mv 1 100 153 175 0 + 4 e 170 380 etot -8.9605E+01 mv 1 100 79 88 0 + 4 e 227 367 etot -6.9595E+01 mv 1 100 184 -120 0 + 4 e 284 376 etot -6.7763E+01 mv 1 100 79 121 0 + -1 e 1 397 etot 1.3528E+20 mv 1 100 183 121 0 + 4 e 737 339 etot -7.9610E+01 mv 1 100 161 -130 0 + 4 e 403 364 etot -7.7558E+01 mv 1 100 153 -167 0 + 4 e 242 371 etot -8.7894E+01 mv 1 100 163 -35 0 + 4 e 493 346 etot -7.2541E+01 mv 1 100 1 10 0 + 4 e 394 352 etot -8.8870E+01 mv 1 100 196 -160 0 + 4 e 549 337 etot -8.0794E+01 mv 1 100 161 182 0 + 4 e 2 404 etot -9.0761E+01 mv 0 100 24 0 0 + 4 e 11 405 etot -9.0338E+01 mv 0 100 40 0 0 c 40 0.0 0.0 + 4 e 2 406 etot -8.8359E+01 mv 0 100 139 0 0 + 4 e 292 379 etot -7.9470E+01 mv 1 100 79 -38 0 + 4 e 12 407 etot -8.9285E+01 mv 0 100 107 0 0 + 4 e 2 408 etot -8.9075E+01 mv 0 100 161 0 0 + 4 e 2 409 etot -8.8216E+01 mv 0 100 36 0 0 + 4 e 2 410 etot -8.8115E+01 mv 0 100 1 0 0 + 4 e 2 411 etot -8.8871E+01 mv 0 100 196 0 0 + 4 e 553 359 etot -8.1012E+01 mv 1 100 200 184 0 + 4 e 500 362 etot -8.8052E+01 mv 1 100 153 190 0 + 4 e 2 413 etot -8.8055E+01 mv 0 100 153 0 0 + 4 e 47 403 etot -8.5937E+01 mv 0 100 21 0 0 c 21 0.1 0.0 + 4 e 251 385 etot -7.0171E+01 mv 1 100 122 -159 0 + 4 e 2 417 etot -8.8104E+01 mv 0 100 122 0 0 + 4 e 10 414 etot -9.0194E+01 mv 0 100 184 0 0 c 184 0.0 0.0 +## N0 total= 21 close= 10 far= 0 %acc 47.6 +## N1 total= 99 close= 1 far= 0 %acc 1.0 +## N2 total= 100 close= 2 far= 0 %acc 2.0 +## N3 total= 0 close= 0 far= 0 %acc 0.0 +## N4 total= 0 close= 0 far= 0 %acc 0.0 +## N5 total= 0 close= 0 far= 0 %acc 0.0 +## N6 total= 200 close= 9 far= 1 %acc 5.0 +## N7 total= 0 close= 0 far= 0 %acc 0.0 +## N8 total= 0 close= 0 far= 0 %acc 0.0 +## N9 total= 0 close= 0 far= 0 %acc 0.0 +##N10 total= 0 close= 0 far= 0 %acc 0.0 +##N11 total= 0 close= 0 far= 0 %acc 0.0 +##N12 total= 0 close= 0 far= 0 %acc 0.0 +##N13 total= 0 close= 0 far= 0 %acc 0.0 +##N14 total= 0 close= 0 far= 0 %acc 0.0 +##N15 total= 0 close= 0 far= 0 %acc 0.0 +##N16 total= 0 close= 0 far= 0 %acc 0.0 +##N17 total= 0 close= 0 far= 0 %acc 0.0 +##N18 total= 0 close= 0 far= 0 %acc 0.0 + Time for refresh 101 0.32 + sending halt to 1 + node 1 finished 1 12727542 + sending halt to 2 + node 2 finished 2 12728086 + sending halt to 3 + node 3 finished 3 12728480 + sending halt to 4 + node 4 finished 4 12729187 + sending halt to 5 + node 5 finished 5 12729566 + sending halt to 6 + node 6 finished 6 12729847 + sending halt to 7 + node 7 finished 7 12730131 + sending halt to 8 + node 8 finished 8 12730493 + sending halt to 9 + node 9 finished 9 12730495 + sending halt to 10 + node 10 finished 10 12730747 + sending halt to 11 + node 11 finished 11 12730937 + sending halt to 12 + node 12 finished 12 12731183 + sending halt to 13 + node 13 finished 13 12731448 + sending halt to 14 + node 14 finished 14 12731745 + sending halt to 15 + node 15 finished 15 12732030 + sending halt to 16 + node 16 finished 16 12732241 + sending halt to 17 + node 17 finished 17 12732269 + sending halt to 18 + node 18 finished 18 12732721 + sending halt to 19 + node 19 finished 19 12732890 + sending halt to 20 + node 20 finished 20 12733427 + sending halt to 21 + node 21 finished 21 12733913 + sending halt to 22 + node 22 finished 22 12733938 + sending halt to 23 + node 23 finished 23 12734008 + sending halt to 24 + node 24 finished 24 12734472 + sending halt to 25 + node 25 finished 25 12734576 + sending halt to 26 + node 26 finished 26 12734731 + sending halt to 27 + node 27 finished 27 12734741 + sending halt to 28 + node 28 finished 28 12735033 + sending halt to 29 + node 29 finished 29 12735050 + sending halt to 30 + node 30 finished 30 12735424 + sending halt to 31 + node 31 finished 31 12735707 + End of cycle, master time for 101 iters 193.894531250000 sec + Total eval/s 65158.3617059855 + worker 1 OK 0.000000000000000E+000 + worker 2 OK 0.000000000000000E+000 + worker 3 OK 0.000000000000000E+000 + worker 4 OK 0.000000000000000E+000 + worker 5 OK 0.000000000000000E+000 + worker 6 OK 0.000000000000000E+000 + worker 7 OK 0.000000000000000E+000 + worker 8 OK 3.906250000000000E-003 + worker 9 OK 0.000000000000000E+000 + worker 10 OK 0.000000000000000E+000 + worker 11 OK 0.000000000000000E+000 + worker 12 OK 0.000000000000000E+000 + worker 13 OK 0.000000000000000E+000 + worker 14 OK 3.906250000000000E-003 + worker 15 OK 0.000000000000000E+000 + worker 16 OK 0.000000000000000E+000 + worker 17 OK 0.000000000000000E+000 + worker 18 OK 0.000000000000000E+000 + worker 19 OK 0.000000000000000E+000 + worker 20 OK 0.000000000000000E+000 + worker 21 OK 3.906250000000000E-003 + worker 22 OK 0.000000000000000E+000 + worker 23 OK 0.000000000000000E+000 + worker 24 OK 0.000000000000000E+000 + worker 25 OK 0.000000000000000E+000 + worker 26 OK 0.000000000000000E+000 + worker 27 OK 3.906250000000000E-003 + worker 28 OK 0.000000000000000E+000 + worker 29 OK 0.000000000000000E+000 + worker 30 OK 0.000000000000000E+000 + worker 31 OK 0.000000000000000E+000 + UPDATING 31 + 4 e 544 360 etot -8.8058E+01 mv 1 100 200 65 0 + 4 e 394 383 etot -7.6847E+01 mv 1 100 122 -151 0 + 4 e 707 394 etot -8.1189E+01 mv 1 100 59 119 0 + 4 e 379 369 etot -9.0192E+01 mv 1 100 184 23 0 + 4 e 281 391 etot -8.8269E+01 mv 1 100 59 -156 0 + 4 e 284 381 etot -8.8103E+01 mv 1 100 122 89 0 + 4 e 362 372 etot -8.5454E+01 mv 1 100 163 -198 0 + 4 e 2 420 etot -8.7603E+01 mv 0 100 183 0 0 + 4 e 252 395 etot -8.8270E+01 mv 1 100 59 -151 0 + 4 e 190 393 etot -8.8270E+01 mv 1 100 59 73 0 + 4 e 246 388 etot -8.5749E+01 mv 1 100 124 -179 0 + 4 e 265 398 etot -8.7209E+01 mv 1 100 183 75 0 + 4 e 297 390 etot -8.8392E+01 mv 1 100 124 -80 0 + 4 e 285 387 etot -8.8392E+01 mv 1 100 124 91 0 + 4 e 211 399 etot -8.7603E+01 mv 1 100 183 153 0 + 4 e 28 412 etot -8.8060E+01 mv 0 100 200 0 0 + 4 e 452 384 etot -8.1860E+01 mv 1 100 122 158 0 + 4 e 169 378 etot -8.9605E+01 mv 1 100 79 43 0 + 4 e 537 386 etot -8.7648E+01 mv 1 100 124 -85 0 + 4 e 486 400 etot -7.5363E+01 mv 1 100 183 171 0 + 4 e 25 415 etot -8.7894E+01 mv 0 100 163 0 0 + 4 e 70 418 etot -8.8393E+01 mv 0 100 124 0 0 c 124 0.5 0.0 + 4 e 464 389 etot -8.7724E+01 mv 1 100 124 125 0 + 4 e 104 402 etot -8.6960E+01 mv 0 100 157 0 0 c 157 1.1 0.0 + 4 e 155 401 etot -8.5954E+01 mv 0 100 17 0 0 c 17 0.9 0.0 + 4 e 10 416 etot -8.9606E+01 mv 0 100 79 0 0 c 79 0.0 0.0 + 4 e 292 374 etot -8.7599E+01 mv 1 100 163 26 0 + 4 e 17 419 etot -8.8270E+01 mv 0 100 59 0 0 c 59 0.0 0.0 + 4 e 374 382 etot -8.7065E+01 mv 1 100 122 -38 0 + 4 e 283 396 etot -7.5343E+01 mv 1 100 183 -34 0 + 4 e 552 375 etot -7.4050E+01 mv 1 100 163 197 0 +## N0 total= 8 close= 5 far= 0 %acc 62.5 +## N1 total= 23 close= 0 far= 0 %acc 0.0 +## N2 total= 0 close= 0 far= 0 %acc 0.0 +## N3 total= 0 close= 0 far= 0 %acc 0.0 +## N4 total= 0 close= 0 far= 0 %acc 0.0 +## N5 total= 0 close= 0 far= 0 %acc 0.0 +## N6 total= 0 close= 0 far= 0 %acc 0.0 +## N7 total= 0 close= 0 far= 0 %acc 0.0 +## N8 total= 0 close= 0 far= 0 %acc 0.0 +## N9 total= 0 close= 0 far= 0 %acc 0.0 +##N10 total= 0 close= 0 far= 0 %acc 0.0 +##N11 total= 0 close= 0 far= 0 %acc 0.0 +##N12 total= 0 close= 0 far= 0 %acc 0.0 +##N13 total= 0 close= 0 far= 0 %acc 0.0 +##N14 total= 0 close= 0 far= 0 %acc 0.0 +##N15 total= 0 close= 0 far= 0 %acc 0.0 +##N16 total= 0 close= 0 far= 0 %acc 0.0 +##N17 total= 0 close= 0 far= 0 %acc 0.0 +##N18 total= 0 close= 0 far= 0 %acc 0.0 + ### Total stats: +### N0 total= 2020 close=1011 far= 0 %acc 50.0 +### N1 total= 10100 close= 617 far= 109 %acc 7.2 +### N2 total= 10100 close= 569 far= 160 %acc 7.2 +### N3 total= 0 close= 0 far= 0 %acc 0.0 +### N4 total= 0 close= 0 far= 0 %acc 0.0 +### N5 total= 0 close= 0 far= 0 %acc 0.0 +### N6 total= 20200 close=2266 far= 631 %acc 14.3 +### N7 total= 0 close= 0 far= 0 %acc 0.0 +### N8 total= 0 close= 0 far= 0 %acc 0.0 +### N9 total= 0 close= 0 far= 0 %acc 0.0 +###N10 total= 0 close= 0 far= 0 %acc 0.0 +###N11 total= 0 close= 0 far= 0 %acc 0.0 +###N12 total= 0 close= 0 far= 0 %acc 0.0 +###N13 total= 0 close= 0 far= 0 %acc 0.0 +###N14 total= 0 close= 0 far= 0 %acc 0.0 +###N15 total= 0 close= 0 far= 0 %acc 0.0 +###N16 total= 0 close= 0 far= 0 %acc 0.0 +###N17 total= 0 close= 0 far= 0 %acc 0.0 +###N18 total= 0 close= 0 far= 0 %acc 0.0 + End of RUN, master time 194.328125000000 sec + Total eval/s 65012.9774061269 +CG processor 0 is finishing work. + Total wall clock time 198.527343750000 sec diff --git a/examples/unres/CSA/GAB/CSA/global/unrestrained/1l2y_csa.out_GB001 b/examples/unres/CSA/GAB/CSA/global/unrestrained/1l2y_csa.out_GB001 new file mode 100644 index 0000000..88a029d --- /dev/null +++ b/examples/unres/CSA/GAB/CSA/global/unrestrained/1l2y_csa.out_GB001 @@ -0,0 +1,1621 @@ +******************************************************************************** +United-residue force field calculation - parallel job. +******************************************************************************** + MPI: node= 1 iseed= -6119485 + ran_num 0.547506363186177 +RMSDBC = 3.0 +RMSDBC1 = 0.5 +RMSDBC1MAX = 1.5 +DRMS = 0.1 +RMSDBCM = 3.0 +Time limit (min): 960.0 + RESCALE_MODE 0 +Library routine used to diagonalize matrices. + +******************************************************************************** + Options in energy minimization: +******************************************************************************** +MaxMin: 3000 MaxFun: 1000MinMin: 3000 MinFun: 3000 TolF: 1.00000E-02 RTolF: 1.00000E-04 + NCONF_IN 0 + +Energy-term weights (unscaled): + +WSCC= 1.352790 (SC-SC) +WSCP= 1.593040 (SC-p) +WELEC= 0.715340 (p-p electr) +WVDWPP= 0.113710 (p-p VDW) +WBOND= 1.000000 (stretching) +WANG= 1.138730 (bending) +WSCLOC= 0.162580 (SC local) +WTOR= 1.985990 (torsional) +WTORD= 1.570690 (double torsional) +WSTRAIN= 1.000000 (SS bridges & dist. cnstr.) +WEL_LOC= 0.160360 (multi-body 3-rd order) +WCORR4= 0.428870 (multi-body 4th order) +WCORR5= 0.000000 (multi-body 5th order) +WCORR6= 0.000000 (multi-body 6th order) +WSCCOR= 0.000000 (back-scloc correlation) +WTURN3= 1.687220 (turns, 3rd order) +WTURN4= 0.662300 (turns, 4th order) +WTURN6= 0.000000 (turns, 6th order) +WDFA_D= 0.000000 (DFA, distance) +WDFA_T= 0.000000 (DFA, torsional) +WDFA_N= 0.000000 (DFA, number of neighbor) +WDFA_B= 0.000000 (DFA, beta formation) + +Hydrogen-bonding correlation between contact pairs of peptide groups + +Scaling factor of 1,4 SC-p interactions: 0.400 +General scaling factor of SC-p interactions: 1.000 + +Energy-term weights (scaled): + +WSCC= 1.352790 (SC-SC) +WSCP= 1.593040 (SC-p) +WELEC= 0.715340 (p-p electr) +WVDWPP= 0.113710 (p-p VDW) +WBOND= 1.000000 (stretching) +WANG= 1.138730 (bending) +WSCLOC= 0.162580 (SC local) +WTOR= 1.985990 (torsional) +WTORD= 1.570690 (double torsional) +WSTRAIN= 1.000000 (SS bridges & dist. cnstr.) +WEL_LOC= 0.160360 (multi-body 3-rd order) +WCORR4= 0.428870 (multi-body 4th order) +WCORR5= 0.000000 (multi-body 5th order) +WCORR6= 0.000000 (multi-body 6th order) +WSCCOR= 0.000000 (back-scloc correlatkion) +WTURN3= 1.687220 (turns, 3rd order) +WTURN4= 0.662300 (turns, 4th order) +WTURN6= 0.000000 (turns, 6th order) +WDFA_D= 0.000000 (DFA, distance) +WDFA_T= 0.000000 (DFA, torsional) +WDFA_N= 0.000000 (DFA, number of neighbor) +WDFA_B= 0.000000 (DFA, beta formation) + Reference temperature for weights calculation: 300.000000000000 + Parameters of the SS-bond potential: + D0CM 3.78000000000000 AKCM 15.1000000000000 AKTH + 11.0000000000000 AKCT 12.0000000000000 + V1SS -1.08000000000000 V2SS 7.61000000000000 V3SS + 13.7000000000000 + EBR -5.50000000000000 + ITEL + 1 21 0 + 2 14 1 + 3 5 1 + 4 8 1 + 5 4 1 + 6 13 1 + 7 7 1 + 8 5 1 + 9 19 1 + 10 16 1 + 11 10 1 + 12 10 2 + 13 20 1 + 14 12 1 + 15 12 1 + 16 10 1 + 17 18 2 + 18 20 2 + 19 20 2 + 20 20 1 + 21 12 0 + ns= 0 iss: + NZ_START= 2 NZ_END= 21 + IZ_SC= 0 + +Geometry of the virtual chain. + Res d Theta Gamma Dsc Alpha Beta +D 1 0.000 0.000 0.000 0.000 0.000 0.000 +ASN 2 3.800 0.000 0.000 1.684 0.000 0.000 +LEU 3 3.800 0.000 0.000 1.939 0.000 0.000 +TYR 4 3.800 0.000 0.000 2.484 0.000 0.000 +ILE 5 3.800 0.000 0.000 1.776 0.000 0.000 +GLN 6 3.800 0.000 0.000 2.240 0.000 0.000 +TRP 7 3.800 0.000 0.000 2.605 0.000 0.000 +LEU 8 3.800 0.000 0.000 1.939 0.000 0.000 +LYS 9 3.800 0.000 0.000 2.541 0.000 0.000 +ASP 10 3.800 0.000 0.000 1.709 0.000 0.000 +GLY 11 3.800 0.000 0.000 0.000 0.000 0.000 +GLY 12 3.800 0.000 0.000 0.000 0.000 0.000 +PRO 13 3.800 0.000 0.000 1.345 0.000 0.000 +SER 14 3.800 0.000 0.000 1.150 0.000 0.000 +SER 15 3.800 0.000 0.000 1.150 0.000 0.000 +GLY 16 3.800 0.000 0.000 0.000 0.000 0.000 +ARG 17 3.800 0.000 0.000 3.020 0.000 0.000 +PRO 18 3.800 0.000 0.000 1.345 0.000 0.000 +PRO 19 3.800 0.000 0.000 1.345 0.000 0.000 +PRO 20 3.800 0.000 0.000 1.345 0.000 0.000 +SER 21 3.800 0.000 0.000 1.150 0.000 0.000 +D 22 3.800 0.000 0.000 0.000 0.000 0.000 + + +******************************************************************************** + Processor 1: end reading molecular data. +******************************************************************************** + + +CSA calculations calculation. + +Conformations will be energy-minimized. +******************************************************************************** + +Waiting for 0.1484 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec + Finishing minim_jlee - signal 0 from master +Waiting for 0.5977 sec +Waiting for 0.0117 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0078 sec +Waiting for 0.5508 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.4883 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.7930 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0547 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 1.0195 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3047 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.4570 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0078 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3203 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0469 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.4062 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0469 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.4336 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 1.4141 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2695 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.4062 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0312 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.4883 sec +Waiting for 0.0156 sec +Waiting for 0.0078 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2969 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.7383 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2969 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.4023 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2930 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 1.0234 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2461 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0469 sec +Waiting for 0.5195 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3125 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0312 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3398 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3242 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2852 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2344 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3320 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.4414 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3359 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3438 sec +Waiting for 0.0078 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3320 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.4883 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2852 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3398 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3555 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3398 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3086 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2539 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3711 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3086 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3438 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3945 sec +Waiting for 0.0078 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2734 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3359 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.5898 sec +Waiting for 0.0117 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.4219 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.5625 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3047 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3281 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2695 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.4023 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3008 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2930 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2852 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3477 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2383 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3594 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3398 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3359 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3477 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3984 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.7539 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3750 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.9141 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3047 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.4102 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3242 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3398 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.5312 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3750 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3789 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.8242 sec +Waiting for 0.0508 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2227 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.4297 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3711 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3242 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3555 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3711 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3047 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.5430 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2422 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3320 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3086 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3164 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2930 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3398 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2852 sec +Waiting for 0.0078 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2812 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3945 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0312 sec +Waiting for 0.3828 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.4375 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3359 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3359 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0078 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2812 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.3203 sec +Waiting for 0.0156 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2969 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.4336 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3047 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3320 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3672 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2070 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3203 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.4609 sec + Finishing minim_jlee - signal 0 from master + End of minim, proc 1 time 194.410156250000 +CG processor 1 is finishing work. + Total wall clock time 198.527343750000 sec diff --git a/examples/unres/CSA/GAB/CSA/global/unrestrained/1l2y_csa.out_GB002 b/examples/unres/CSA/GAB/CSA/global/unrestrained/1l2y_csa.out_GB002 new file mode 100644 index 0000000..356f2ce --- /dev/null +++ b/examples/unres/CSA/GAB/CSA/global/unrestrained/1l2y_csa.out_GB002 @@ -0,0 +1,1619 @@ +******************************************************************************** +United-residue force field calculation - parallel job. +******************************************************************************** + MPI: node= 2 iseed= -9179228 + ran_num 0.821258609038956 +RMSDBC = 3.0 +RMSDBC1 = 0.5 +RMSDBC1MAX = 1.5 +DRMS = 0.1 +RMSDBCM = 3.0 +Time limit (min): 960.0 + RESCALE_MODE 0 +Library routine used to diagonalize matrices. + +******************************************************************************** + Options in energy minimization: +******************************************************************************** +MaxMin: 3000 MaxFun: 1000MinMin: 3000 MinFun: 3000 TolF: 1.00000E-02 RTolF: 1.00000E-04 + NCONF_IN 0 + +Energy-term weights (unscaled): + +WSCC= 1.352790 (SC-SC) +WSCP= 1.593040 (SC-p) +WELEC= 0.715340 (p-p electr) +WVDWPP= 0.113710 (p-p VDW) +WBOND= 1.000000 (stretching) +WANG= 1.138730 (bending) +WSCLOC= 0.162580 (SC local) +WTOR= 1.985990 (torsional) +WTORD= 1.570690 (double torsional) +WSTRAIN= 1.000000 (SS bridges & dist. cnstr.) +WEL_LOC= 0.160360 (multi-body 3-rd order) +WCORR4= 0.428870 (multi-body 4th order) +WCORR5= 0.000000 (multi-body 5th order) +WCORR6= 0.000000 (multi-body 6th order) +WSCCOR= 0.000000 (back-scloc correlation) +WTURN3= 1.687220 (turns, 3rd order) +WTURN4= 0.662300 (turns, 4th order) +WTURN6= 0.000000 (turns, 6th order) +WDFA_D= 0.000000 (DFA, distance) +WDFA_T= 0.000000 (DFA, torsional) +WDFA_N= 0.000000 (DFA, number of neighbor) +WDFA_B= 0.000000 (DFA, beta formation) + +Hydrogen-bonding correlation between contact pairs of peptide groups + +Scaling factor of 1,4 SC-p interactions: 0.400 +General scaling factor of SC-p interactions: 1.000 + +Energy-term weights (scaled): + +WSCC= 1.352790 (SC-SC) +WSCP= 1.593040 (SC-p) +WELEC= 0.715340 (p-p electr) +WVDWPP= 0.113710 (p-p VDW) +WBOND= 1.000000 (stretching) +WANG= 1.138730 (bending) +WSCLOC= 0.162580 (SC local) +WTOR= 1.985990 (torsional) +WTORD= 1.570690 (double torsional) +WSTRAIN= 1.000000 (SS bridges & dist. cnstr.) +WEL_LOC= 0.160360 (multi-body 3-rd order) +WCORR4= 0.428870 (multi-body 4th order) +WCORR5= 0.000000 (multi-body 5th order) +WCORR6= 0.000000 (multi-body 6th order) +WSCCOR= 0.000000 (back-scloc correlatkion) +WTURN3= 1.687220 (turns, 3rd order) +WTURN4= 0.662300 (turns, 4th order) +WTURN6= 0.000000 (turns, 6th order) +WDFA_D= 0.000000 (DFA, distance) +WDFA_T= 0.000000 (DFA, torsional) +WDFA_N= 0.000000 (DFA, number of neighbor) +WDFA_B= 0.000000 (DFA, beta formation) + Reference temperature for weights calculation: 300.000000000000 + Parameters of the SS-bond potential: + D0CM 3.78000000000000 AKCM 15.1000000000000 AKTH + 11.0000000000000 AKCT 12.0000000000000 + V1SS -1.08000000000000 V2SS 7.61000000000000 V3SS + 13.7000000000000 + EBR -5.50000000000000 + ITEL + 1 21 0 + 2 14 1 + 3 5 1 + 4 8 1 + 5 4 1 + 6 13 1 + 7 7 1 + 8 5 1 + 9 19 1 + 10 16 1 + 11 10 1 + 12 10 2 + 13 20 1 + 14 12 1 + 15 12 1 + 16 10 1 + 17 18 2 + 18 20 2 + 19 20 2 + 20 20 1 + 21 12 0 + ns= 0 iss: + NZ_START= 2 NZ_END= 21 + IZ_SC= 0 + +Geometry of the virtual chain. + Res d Theta Gamma Dsc Alpha Beta +D 1 0.000 0.000 0.000 0.000 0.000 0.000 +ASN 2 3.800 0.000 0.000 1.684 0.000 0.000 +LEU 3 3.800 0.000 0.000 1.939 0.000 0.000 +TYR 4 3.800 0.000 0.000 2.484 0.000 0.000 +ILE 5 3.800 0.000 0.000 1.776 0.000 0.000 +GLN 6 3.800 0.000 0.000 2.240 0.000 0.000 +TRP 7 3.800 0.000 0.000 2.605 0.000 0.000 +LEU 8 3.800 0.000 0.000 1.939 0.000 0.000 +LYS 9 3.800 0.000 0.000 2.541 0.000 0.000 +ASP 10 3.800 0.000 0.000 1.709 0.000 0.000 +GLY 11 3.800 0.000 0.000 0.000 0.000 0.000 +GLY 12 3.800 0.000 0.000 0.000 0.000 0.000 +PRO 13 3.800 0.000 0.000 1.345 0.000 0.000 +SER 14 3.800 0.000 0.000 1.150 0.000 0.000 +SER 15 3.800 0.000 0.000 1.150 0.000 0.000 +GLY 16 3.800 0.000 0.000 0.000 0.000 0.000 +ARG 17 3.800 0.000 0.000 3.020 0.000 0.000 +PRO 18 3.800 0.000 0.000 1.345 0.000 0.000 +PRO 19 3.800 0.000 0.000 1.345 0.000 0.000 +PRO 20 3.800 0.000 0.000 1.345 0.000 0.000 +SER 21 3.800 0.000 0.000 1.150 0.000 0.000 +D 22 3.800 0.000 0.000 0.000 0.000 0.000 + + +******************************************************************************** + Processor 2: end reading molecular data. +******************************************************************************** + + +CSA calculations calculation. + +Conformations will be energy-minimized. +******************************************************************************** + +Waiting for 0.1523 sec +Waiting for 0.0078 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec + Finishing minim_jlee - signal 0 from master +Waiting for 0.5977 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0508 sec +Waiting for 0.5430 sec +Waiting for 0.0586 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0352 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.5078 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0430 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.8125 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0117 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 1.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2461 sec +Waiting for 0.0156 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.5234 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0312 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3008 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.4219 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.4180 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 1.3945 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2656 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.4648 sec +Waiting for 0.0000 sec +Waiting for 0.0352 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.4609 sec +Waiting for 0.0000 sec +Waiting for 0.0898 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2930 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.7617 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3008 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3867 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2969 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0156 sec +Waiting for 0.0156 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.9922 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2383 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0273 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0859 sec +Waiting for 0.4492 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2461 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0391 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3438 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3398 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3320 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2422 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3594 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.5000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3555 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3438 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3711 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.5078 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3516 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.3320 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3594 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3750 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2266 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2812 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3320 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3281 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3320 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3750 sec +Waiting for 0.0117 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2930 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0234 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3281 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.5859 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.4727 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.5820 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3320 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3633 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3633 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.4062 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2969 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3398 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2344 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2383 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3555 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3555 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0078 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3516 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3242 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3438 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3750 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.7578 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3672 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.9023 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3438 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.4258 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3359 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3359 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.5625 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.4531 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3672 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.8359 sec +Waiting for 0.0508 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.1758 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.4141 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3047 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3320 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3945 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3477 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3398 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.5664 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3047 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3438 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0312 sec +Waiting for 0.3711 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3164 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0078 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3125 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2695 sec +Waiting for 0.0391 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3281 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3281 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.4570 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0234 sec +Waiting for 0.3594 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3555 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2930 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3320 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0586 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2734 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3203 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3672 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.4062 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3398 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2461 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.4023 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2266 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2031 sec +Waiting for 0.0078 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.4141 sec + Finishing minim_jlee - signal 0 from master + End of minim, proc 2 time 194.410156250000 +CG processor 2 is finishing work. + Total wall clock time 198.527343750000 sec diff --git a/examples/unres/CSA/GAB/CSA/global/unrestrained/1l2y_csa.out_GB003 b/examples/unres/CSA/GAB/CSA/global/unrestrained/1l2y_csa.out_GB003 new file mode 100644 index 0000000..a435579 --- /dev/null +++ b/examples/unres/CSA/GAB/CSA/global/unrestrained/1l2y_csa.out_GB003 @@ -0,0 +1,1636 @@ +******************************************************************************** +United-residue force field calculation - parallel job. +******************************************************************************** + MPI: node= 3 iseed= -12238971 + ran_num 9.501085489173544E-002 +RMSDBC = 3.0 +RMSDBC1 = 0.5 +RMSDBC1MAX = 1.5 +DRMS = 0.1 +RMSDBCM = 3.0 +Time limit (min): 960.0 + RESCALE_MODE 0 +Library routine used to diagonalize matrices. + +******************************************************************************** + Options in energy minimization: +******************************************************************************** +MaxMin: 3000 MaxFun: 1000MinMin: 3000 MinFun: 3000 TolF: 1.00000E-02 RTolF: 1.00000E-04 + NCONF_IN 0 + +Energy-term weights (unscaled): + +WSCC= 1.352790 (SC-SC) +WSCP= 1.593040 (SC-p) +WELEC= 0.715340 (p-p electr) +WVDWPP= 0.113710 (p-p VDW) +WBOND= 1.000000 (stretching) +WANG= 1.138730 (bending) +WSCLOC= 0.162580 (SC local) +WTOR= 1.985990 (torsional) +WTORD= 1.570690 (double torsional) +WSTRAIN= 1.000000 (SS bridges & dist. cnstr.) +WEL_LOC= 0.160360 (multi-body 3-rd order) +WCORR4= 0.428870 (multi-body 4th order) +WCORR5= 0.000000 (multi-body 5th order) +WCORR6= 0.000000 (multi-body 6th order) +WSCCOR= 0.000000 (back-scloc correlation) +WTURN3= 1.687220 (turns, 3rd order) +WTURN4= 0.662300 (turns, 4th order) +WTURN6= 0.000000 (turns, 6th order) +WDFA_D= 0.000000 (DFA, distance) +WDFA_T= 0.000000 (DFA, torsional) +WDFA_N= 0.000000 (DFA, number of neighbor) +WDFA_B= 0.000000 (DFA, beta formation) + +Hydrogen-bonding correlation between contact pairs of peptide groups + +Scaling factor of 1,4 SC-p interactions: 0.400 +General scaling factor of SC-p interactions: 1.000 + +Energy-term weights (scaled): + +WSCC= 1.352790 (SC-SC) +WSCP= 1.593040 (SC-p) +WELEC= 0.715340 (p-p electr) +WVDWPP= 0.113710 (p-p VDW) +WBOND= 1.000000 (stretching) +WANG= 1.138730 (bending) +WSCLOC= 0.162580 (SC local) +WTOR= 1.985990 (torsional) +WTORD= 1.570690 (double torsional) +WSTRAIN= 1.000000 (SS bridges & dist. cnstr.) +WEL_LOC= 0.160360 (multi-body 3-rd order) +WCORR4= 0.428870 (multi-body 4th order) +WCORR5= 0.000000 (multi-body 5th order) +WCORR6= 0.000000 (multi-body 6th order) +WSCCOR= 0.000000 (back-scloc correlatkion) +WTURN3= 1.687220 (turns, 3rd order) +WTURN4= 0.662300 (turns, 4th order) +WTURN6= 0.000000 (turns, 6th order) +WDFA_D= 0.000000 (DFA, distance) +WDFA_T= 0.000000 (DFA, torsional) +WDFA_N= 0.000000 (DFA, number of neighbor) +WDFA_B= 0.000000 (DFA, beta formation) + Reference temperature for weights calculation: 300.000000000000 + Parameters of the SS-bond potential: + D0CM 3.78000000000000 AKCM 15.1000000000000 AKTH + 11.0000000000000 AKCT 12.0000000000000 + V1SS -1.08000000000000 V2SS 7.61000000000000 V3SS + 13.7000000000000 + EBR -5.50000000000000 + ITEL + 1 21 0 + 2 14 1 + 3 5 1 + 4 8 1 + 5 4 1 + 6 13 1 + 7 7 1 + 8 5 1 + 9 19 1 + 10 16 1 + 11 10 1 + 12 10 2 + 13 20 1 + 14 12 1 + 15 12 1 + 16 10 1 + 17 18 2 + 18 20 2 + 19 20 2 + 20 20 1 + 21 12 0 + ns= 0 iss: + NZ_START= 2 NZ_END= 21 + IZ_SC= 0 + +Geometry of the virtual chain. + Res d Theta Gamma Dsc Alpha Beta +D 1 0.000 0.000 0.000 0.000 0.000 0.000 +ASN 2 3.800 0.000 0.000 1.684 0.000 0.000 +LEU 3 3.800 0.000 0.000 1.939 0.000 0.000 +TYR 4 3.800 0.000 0.000 2.484 0.000 0.000 +ILE 5 3.800 0.000 0.000 1.776 0.000 0.000 +GLN 6 3.800 0.000 0.000 2.240 0.000 0.000 +TRP 7 3.800 0.000 0.000 2.605 0.000 0.000 +LEU 8 3.800 0.000 0.000 1.939 0.000 0.000 +LYS 9 3.800 0.000 0.000 2.541 0.000 0.000 +ASP 10 3.800 0.000 0.000 1.709 0.000 0.000 +GLY 11 3.800 0.000 0.000 0.000 0.000 0.000 +GLY 12 3.800 0.000 0.000 0.000 0.000 0.000 +PRO 13 3.800 0.000 0.000 1.345 0.000 0.000 +SER 14 3.800 0.000 0.000 1.150 0.000 0.000 +SER 15 3.800 0.000 0.000 1.150 0.000 0.000 +GLY 16 3.800 0.000 0.000 0.000 0.000 0.000 +ARG 17 3.800 0.000 0.000 3.020 0.000 0.000 +PRO 18 3.800 0.000 0.000 1.345 0.000 0.000 +PRO 19 3.800 0.000 0.000 1.345 0.000 0.000 +PRO 20 3.800 0.000 0.000 1.345 0.000 0.000 +SER 21 3.800 0.000 0.000 1.150 0.000 0.000 +D 22 3.800 0.000 0.000 0.000 0.000 0.000 + + +******************************************************************************** + Processor 3: end reading molecular data. +******************************************************************************** + + +CSA calculations calculation. + +Conformations will be energy-minimized. +******************************************************************************** + +Waiting for 0.1523 sec +Waiting for 0.0273 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec + Finishing minim_jlee - signal 0 from master +Waiting for 0.5977 sec +Waiting for 0.0352 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0312 sec +Waiting for 0.5234 sec +Waiting for 0.0586 sec +Waiting for 0.0469 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0078 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.4766 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0195 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.8750 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.1602 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 1.0430 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.3359 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec 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0.0586 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.5078 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 1.4297 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec 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+Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0547 sec +Waiting for 0.3984 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3477 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3398 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.5625 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2930 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3398 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0703 sec +Waiting for 0.3750 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2695 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3164 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2812 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2773 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2656 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.4766 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0312 sec +Waiting for 0.3203 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.4336 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.3281 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3359 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2617 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2891 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3750 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0234 sec +Waiting for 0.4219 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3438 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3125 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.4336 sec +Waiting for 0.0234 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2344 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2461 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2930 sec + Finishing minim_jlee - signal 0 from master + End of minim, proc 3 time 194.410156250000 +CG processor 3 is finishing work. + Total wall clock time 198.531250000000 sec diff --git a/examples/unres/CSA/GAB/CSA/global/unrestrained/1l2y_csa.out_GB004 b/examples/unres/CSA/GAB/CSA/global/unrestrained/1l2y_csa.out_GB004 new file mode 100644 index 0000000..e02d7c1 --- /dev/null +++ b/examples/unres/CSA/GAB/CSA/global/unrestrained/1l2y_csa.out_GB004 @@ -0,0 +1,1667 @@ +******************************************************************************** +United-residue force field calculation - parallel job. +******************************************************************************** + MPI: node= 4 iseed= -15298714 + ran_num 0.368763100744515 +RMSDBC = 3.0 +RMSDBC1 = 0.5 +RMSDBC1MAX = 1.5 +DRMS = 0.1 +RMSDBCM = 3.0 +Time limit (min): 960.0 + RESCALE_MODE 0 +Library routine used to diagonalize matrices. + +******************************************************************************** + Options in energy minimization: +******************************************************************************** +MaxMin: 3000 MaxFun: 1000MinMin: 3000 MinFun: 3000 TolF: 1.00000E-02 RTolF: 1.00000E-04 + NCONF_IN 0 + +Energy-term weights (unscaled): + +WSCC= 1.352790 (SC-SC) +WSCP= 1.593040 (SC-p) +WELEC= 0.715340 (p-p electr) +WVDWPP= 0.113710 (p-p VDW) +WBOND= 1.000000 (stretching) +WANG= 1.138730 (bending) +WSCLOC= 0.162580 (SC local) +WTOR= 1.985990 (torsional) +WTORD= 1.570690 (double torsional) +WSTRAIN= 1.000000 (SS bridges & dist. cnstr.) +WEL_LOC= 0.160360 (multi-body 3-rd order) +WCORR4= 0.428870 (multi-body 4th order) +WCORR5= 0.000000 (multi-body 5th order) +WCORR6= 0.000000 (multi-body 6th order) +WSCCOR= 0.000000 (back-scloc correlation) +WTURN3= 1.687220 (turns, 3rd order) +WTURN4= 0.662300 (turns, 4th order) +WTURN6= 0.000000 (turns, 6th order) +WDFA_D= 0.000000 (DFA, distance) +WDFA_T= 0.000000 (DFA, torsional) +WDFA_N= 0.000000 (DFA, number of neighbor) +WDFA_B= 0.000000 (DFA, beta formation) + +Hydrogen-bonding correlation between contact pairs of peptide groups + +Scaling factor of 1,4 SC-p interactions: 0.400 +General scaling factor of SC-p interactions: 1.000 + +Energy-term weights (scaled): + +WSCC= 1.352790 (SC-SC) +WSCP= 1.593040 (SC-p) +WELEC= 0.715340 (p-p electr) +WVDWPP= 0.113710 (p-p VDW) +WBOND= 1.000000 (stretching) +WANG= 1.138730 (bending) +WSCLOC= 0.162580 (SC local) +WTOR= 1.985990 (torsional) +WTORD= 1.570690 (double torsional) +WSTRAIN= 1.000000 (SS bridges & dist. cnstr.) +WEL_LOC= 0.160360 (multi-body 3-rd order) +WCORR4= 0.428870 (multi-body 4th order) +WCORR5= 0.000000 (multi-body 5th order) +WCORR6= 0.000000 (multi-body 6th order) +WSCCOR= 0.000000 (back-scloc correlatkion) +WTURN3= 1.687220 (turns, 3rd order) +WTURN4= 0.662300 (turns, 4th order) +WTURN6= 0.000000 (turns, 6th order) +WDFA_D= 0.000000 (DFA, distance) +WDFA_T= 0.000000 (DFA, torsional) +WDFA_N= 0.000000 (DFA, number of neighbor) +WDFA_B= 0.000000 (DFA, beta formation) + Reference temperature for weights calculation: 300.000000000000 + Parameters of the SS-bond potential: + D0CM 3.78000000000000 AKCM 15.1000000000000 AKTH + 11.0000000000000 AKCT 12.0000000000000 + V1SS -1.08000000000000 V2SS 7.61000000000000 V3SS + 13.7000000000000 + EBR -5.50000000000000 + ITEL + 1 21 0 + 2 14 1 + 3 5 1 + 4 8 1 + 5 4 1 + 6 13 1 + 7 7 1 + 8 5 1 + 9 19 1 + 10 16 1 + 11 10 1 + 12 10 2 + 13 20 1 + 14 12 1 + 15 12 1 + 16 10 1 + 17 18 2 + 18 20 2 + 19 20 2 + 20 20 1 + 21 12 0 + ns= 0 iss: + NZ_START= 2 NZ_END= 21 + IZ_SC= 0 + +Geometry of the virtual chain. + Res d Theta Gamma Dsc Alpha Beta +D 1 0.000 0.000 0.000 0.000 0.000 0.000 +ASN 2 3.800 0.000 0.000 1.684 0.000 0.000 +LEU 3 3.800 0.000 0.000 1.939 0.000 0.000 +TYR 4 3.800 0.000 0.000 2.484 0.000 0.000 +ILE 5 3.800 0.000 0.000 1.776 0.000 0.000 +GLN 6 3.800 0.000 0.000 2.240 0.000 0.000 +TRP 7 3.800 0.000 0.000 2.605 0.000 0.000 +LEU 8 3.800 0.000 0.000 1.939 0.000 0.000 +LYS 9 3.800 0.000 0.000 2.541 0.000 0.000 +ASP 10 3.800 0.000 0.000 1.709 0.000 0.000 +GLY 11 3.800 0.000 0.000 0.000 0.000 0.000 +GLY 12 3.800 0.000 0.000 0.000 0.000 0.000 +PRO 13 3.800 0.000 0.000 1.345 0.000 0.000 +SER 14 3.800 0.000 0.000 1.150 0.000 0.000 +SER 15 3.800 0.000 0.000 1.150 0.000 0.000 +GLY 16 3.800 0.000 0.000 0.000 0.000 0.000 +ARG 17 3.800 0.000 0.000 3.020 0.000 0.000 +PRO 18 3.800 0.000 0.000 1.345 0.000 0.000 +PRO 19 3.800 0.000 0.000 1.345 0.000 0.000 +PRO 20 3.800 0.000 0.000 1.345 0.000 0.000 +SER 21 3.800 0.000 0.000 1.150 0.000 0.000 +D 22 3.800 0.000 0.000 0.000 0.000 0.000 + + +******************************************************************************** + Processor 4: end reading molecular data. +******************************************************************************** + + +CSA calculations calculation. + +Conformations will be energy-minimized. +******************************************************************************** + +Waiting for 0.1445 sec +Waiting for 0.0273 sec +Waiting for 0.0391 sec +Waiting for 0.0273 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec + Finishing minim_jlee - signal 0 from master +Waiting for 0.5977 sec +Waiting for 0.0156 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.4766 sec +Waiting for 0.0000 sec +Waiting for 0.0547 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0391 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.5156 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0469 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.8203 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.1641 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 1.0430 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3281 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3828 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0391 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2266 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0547 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3516 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0156 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.4805 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 1.4297 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec 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+Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.2539 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3125 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0898 sec +Waiting for 0.3516 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3047 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2930 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0078 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3203 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2773 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3438 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.4219 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0391 sec +Waiting for 0.3555 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3008 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3203 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3320 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0781 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2578 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3242 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3516 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0117 sec +Waiting for 0.4453 sec +Waiting for 0.0078 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3320 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0078 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2812 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3320 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3203 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3047 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3555 sec + Finishing minim_jlee - signal 0 from master + End of minim, proc 4 time 194.406250000000 +CG processor 4 is finishing work. + Total wall clock time 198.640625000000 sec diff --git a/examples/unres/CSA/GAB/CSA/global/unrestrained/1l2y_csa.out_GB005 b/examples/unres/CSA/GAB/CSA/global/unrestrained/1l2y_csa.out_GB005 new file mode 100644 index 0000000..73ed6da --- /dev/null +++ b/examples/unres/CSA/GAB/CSA/global/unrestrained/1l2y_csa.out_GB005 @@ -0,0 +1,1704 @@ +******************************************************************************** +United-residue force field calculation - parallel job. +******************************************************************************** + MPI: node= 5 iseed= -18358457 + ran_num 0.642515346597294 +RMSDBC = 3.0 +RMSDBC1 = 0.5 +RMSDBC1MAX = 1.5 +DRMS = 0.1 +RMSDBCM = 3.0 +Time limit (min): 960.0 + RESCALE_MODE 0 +Library routine used to diagonalize matrices. + +******************************************************************************** + Options in energy minimization: +******************************************************************************** +MaxMin: 3000 MaxFun: 1000MinMin: 3000 MinFun: 3000 TolF: 1.00000E-02 RTolF: 1.00000E-04 + NCONF_IN 0 + +Energy-term weights (unscaled): + +WSCC= 1.352790 (SC-SC) +WSCP= 1.593040 (SC-p) +WELEC= 0.715340 (p-p electr) +WVDWPP= 0.113710 (p-p VDW) +WBOND= 1.000000 (stretching) +WANG= 1.138730 (bending) +WSCLOC= 0.162580 (SC local) +WTOR= 1.985990 (torsional) +WTORD= 1.570690 (double torsional) +WSTRAIN= 1.000000 (SS bridges & dist. cnstr.) +WEL_LOC= 0.160360 (multi-body 3-rd order) +WCORR4= 0.428870 (multi-body 4th order) +WCORR5= 0.000000 (multi-body 5th order) +WCORR6= 0.000000 (multi-body 6th order) +WSCCOR= 0.000000 (back-scloc correlation) +WTURN3= 1.687220 (turns, 3rd order) +WTURN4= 0.662300 (turns, 4th order) +WTURN6= 0.000000 (turns, 6th order) +WDFA_D= 0.000000 (DFA, distance) +WDFA_T= 0.000000 (DFA, torsional) +WDFA_N= 0.000000 (DFA, number of neighbor) +WDFA_B= 0.000000 (DFA, beta formation) + +Hydrogen-bonding correlation between contact pairs of peptide groups + +Scaling factor of 1,4 SC-p interactions: 0.400 +General scaling factor of SC-p interactions: 1.000 + +Energy-term weights (scaled): + +WSCC= 1.352790 (SC-SC) +WSCP= 1.593040 (SC-p) +WELEC= 0.715340 (p-p electr) +WVDWPP= 0.113710 (p-p VDW) +WBOND= 1.000000 (stretching) +WANG= 1.138730 (bending) +WSCLOC= 0.162580 (SC local) +WTOR= 1.985990 (torsional) +WTORD= 1.570690 (double torsional) +WSTRAIN= 1.000000 (SS bridges & dist. cnstr.) +WEL_LOC= 0.160360 (multi-body 3-rd order) +WCORR4= 0.428870 (multi-body 4th order) +WCORR5= 0.000000 (multi-body 5th order) +WCORR6= 0.000000 (multi-body 6th order) +WSCCOR= 0.000000 (back-scloc correlatkion) +WTURN3= 1.687220 (turns, 3rd order) +WTURN4= 0.662300 (turns, 4th order) +WTURN6= 0.000000 (turns, 6th order) +WDFA_D= 0.000000 (DFA, distance) +WDFA_T= 0.000000 (DFA, torsional) +WDFA_N= 0.000000 (DFA, number of neighbor) +WDFA_B= 0.000000 (DFA, beta formation) + Reference temperature for weights calculation: 300.000000000000 + Parameters of the SS-bond potential: + D0CM 3.78000000000000 AKCM 15.1000000000000 AKTH + 11.0000000000000 AKCT 12.0000000000000 + V1SS -1.08000000000000 V2SS 7.61000000000000 V3SS + 13.7000000000000 + EBR -5.50000000000000 + ITEL + 1 21 0 + 2 14 1 + 3 5 1 + 4 8 1 + 5 4 1 + 6 13 1 + 7 7 1 + 8 5 1 + 9 19 1 + 10 16 1 + 11 10 1 + 12 10 2 + 13 20 1 + 14 12 1 + 15 12 1 + 16 10 1 + 17 18 2 + 18 20 2 + 19 20 2 + 20 20 1 + 21 12 0 + ns= 0 iss: + NZ_START= 2 NZ_END= 21 + IZ_SC= 0 + +Geometry of the virtual chain. + Res d Theta Gamma Dsc Alpha Beta +D 1 0.000 0.000 0.000 0.000 0.000 0.000 +ASN 2 3.800 0.000 0.000 1.684 0.000 0.000 +LEU 3 3.800 0.000 0.000 1.939 0.000 0.000 +TYR 4 3.800 0.000 0.000 2.484 0.000 0.000 +ILE 5 3.800 0.000 0.000 1.776 0.000 0.000 +GLN 6 3.800 0.000 0.000 2.240 0.000 0.000 +TRP 7 3.800 0.000 0.000 2.605 0.000 0.000 +LEU 8 3.800 0.000 0.000 1.939 0.000 0.000 +LYS 9 3.800 0.000 0.000 2.541 0.000 0.000 +ASP 10 3.800 0.000 0.000 1.709 0.000 0.000 +GLY 11 3.800 0.000 0.000 0.000 0.000 0.000 +GLY 12 3.800 0.000 0.000 0.000 0.000 0.000 +PRO 13 3.800 0.000 0.000 1.345 0.000 0.000 +SER 14 3.800 0.000 0.000 1.150 0.000 0.000 +SER 15 3.800 0.000 0.000 1.150 0.000 0.000 +GLY 16 3.800 0.000 0.000 0.000 0.000 0.000 +ARG 17 3.800 0.000 0.000 3.020 0.000 0.000 +PRO 18 3.800 0.000 0.000 1.345 0.000 0.000 +PRO 19 3.800 0.000 0.000 1.345 0.000 0.000 +PRO 20 3.800 0.000 0.000 1.345 0.000 0.000 +SER 21 3.800 0.000 0.000 1.150 0.000 0.000 +D 22 3.800 0.000 0.000 0.000 0.000 0.000 + + +******************************************************************************** + Processor 5: end reading molecular data. +******************************************************************************** + + +CSA calculations calculation. + +Conformations will be energy-minimized. +******************************************************************************** + +Waiting for 0.1523 sec +Waiting for 0.0039 sec +Waiting for 0.0234 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0078 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec + Finishing minim_jlee - signal 0 from master +Waiting for 0.5977 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0430 sec +Waiting for 0.5391 sec +Waiting for 0.0508 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.4961 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0078 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.8398 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0781 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 1.0547 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0117 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3242 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.4375 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0742 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.2656 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3945 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.4492 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 1.4492 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.2930 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.4062 sec +Waiting for 0.0000 sec +Waiting for 0.0312 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.5039 sec +Waiting for 0.1289 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2969 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec 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0.0039 sec +Waiting for 0.3320 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3320 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.5273 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2773 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3164 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3516 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2969 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3047 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2773 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3203 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2969 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.4688 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3438 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.3867 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3203 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3281 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3008 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3398 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.3555 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0195 sec +Waiting for 0.4453 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0078 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2812 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3359 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3359 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.3555 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2578 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.4023 sec + Finishing minim_jlee - signal 0 from master + End of minim, proc 5 time 194.406250000000 +CG processor 5 is finishing work. + Total wall clock time 198.644531250000 sec diff --git a/examples/unres/CSA/GAB/CSA/global/unrestrained/1l2y_csa.out_GB006 b/examples/unres/CSA/GAB/CSA/global/unrestrained/1l2y_csa.out_GB006 new file mode 100644 index 0000000..117b116 --- /dev/null +++ b/examples/unres/CSA/GAB/CSA/global/unrestrained/1l2y_csa.out_GB006 @@ -0,0 +1,1676 @@ +******************************************************************************** +United-residue force field calculation - parallel job. +******************************************************************************** + MPI: node= 6 iseed= -21418200 + ran_num 0.916267592450074 +RMSDBC = 3.0 +RMSDBC1 = 0.5 +RMSDBC1MAX = 1.5 +DRMS = 0.1 +RMSDBCM = 3.0 +Time limit (min): 960.0 + RESCALE_MODE 0 +Library routine used to diagonalize matrices. + +******************************************************************************** + Options in energy minimization: +******************************************************************************** +MaxMin: 3000 MaxFun: 1000MinMin: 3000 MinFun: 3000 TolF: 1.00000E-02 RTolF: 1.00000E-04 + NCONF_IN 0 + +Energy-term weights (unscaled): + +WSCC= 1.352790 (SC-SC) +WSCP= 1.593040 (SC-p) +WELEC= 0.715340 (p-p electr) +WVDWPP= 0.113710 (p-p VDW) +WBOND= 1.000000 (stretching) +WANG= 1.138730 (bending) +WSCLOC= 0.162580 (SC local) +WTOR= 1.985990 (torsional) +WTORD= 1.570690 (double torsional) +WSTRAIN= 1.000000 (SS bridges & dist. cnstr.) +WEL_LOC= 0.160360 (multi-body 3-rd order) +WCORR4= 0.428870 (multi-body 4th order) +WCORR5= 0.000000 (multi-body 5th order) +WCORR6= 0.000000 (multi-body 6th order) +WSCCOR= 0.000000 (back-scloc correlation) +WTURN3= 1.687220 (turns, 3rd order) +WTURN4= 0.662300 (turns, 4th order) +WTURN6= 0.000000 (turns, 6th order) +WDFA_D= 0.000000 (DFA, distance) +WDFA_T= 0.000000 (DFA, torsional) +WDFA_N= 0.000000 (DFA, number of neighbor) +WDFA_B= 0.000000 (DFA, beta formation) + +Hydrogen-bonding correlation between contact pairs of peptide groups + +Scaling factor of 1,4 SC-p interactions: 0.400 +General scaling factor of SC-p interactions: 1.000 + +Energy-term weights (scaled): + +WSCC= 1.352790 (SC-SC) +WSCP= 1.593040 (SC-p) +WELEC= 0.715340 (p-p electr) +WVDWPP= 0.113710 (p-p VDW) +WBOND= 1.000000 (stretching) +WANG= 1.138730 (bending) +WSCLOC= 0.162580 (SC local) +WTOR= 1.985990 (torsional) +WTORD= 1.570690 (double torsional) +WSTRAIN= 1.000000 (SS bridges & dist. cnstr.) +WEL_LOC= 0.160360 (multi-body 3-rd order) +WCORR4= 0.428870 (multi-body 4th order) +WCORR5= 0.000000 (multi-body 5th order) +WCORR6= 0.000000 (multi-body 6th order) +WSCCOR= 0.000000 (back-scloc correlatkion) +WTURN3= 1.687220 (turns, 3rd order) +WTURN4= 0.662300 (turns, 4th order) +WTURN6= 0.000000 (turns, 6th order) +WDFA_D= 0.000000 (DFA, distance) +WDFA_T= 0.000000 (DFA, torsional) +WDFA_N= 0.000000 (DFA, number of neighbor) +WDFA_B= 0.000000 (DFA, beta formation) + Reference temperature for weights calculation: 300.000000000000 + Parameters of the SS-bond potential: + D0CM 3.78000000000000 AKCM 15.1000000000000 AKTH + 11.0000000000000 AKCT 12.0000000000000 + V1SS -1.08000000000000 V2SS 7.61000000000000 V3SS + 13.7000000000000 + EBR -5.50000000000000 + ITEL + 1 21 0 + 2 14 1 + 3 5 1 + 4 8 1 + 5 4 1 + 6 13 1 + 7 7 1 + 8 5 1 + 9 19 1 + 10 16 1 + 11 10 1 + 12 10 2 + 13 20 1 + 14 12 1 + 15 12 1 + 16 10 1 + 17 18 2 + 18 20 2 + 19 20 2 + 20 20 1 + 21 12 0 + ns= 0 iss: + NZ_START= 2 NZ_END= 21 + IZ_SC= 0 + +Geometry of the virtual chain. + Res d Theta Gamma Dsc Alpha Beta +D 1 0.000 0.000 0.000 0.000 0.000 0.000 +ASN 2 3.800 0.000 0.000 1.684 0.000 0.000 +LEU 3 3.800 0.000 0.000 1.939 0.000 0.000 +TYR 4 3.800 0.000 0.000 2.484 0.000 0.000 +ILE 5 3.800 0.000 0.000 1.776 0.000 0.000 +GLN 6 3.800 0.000 0.000 2.240 0.000 0.000 +TRP 7 3.800 0.000 0.000 2.605 0.000 0.000 +LEU 8 3.800 0.000 0.000 1.939 0.000 0.000 +LYS 9 3.800 0.000 0.000 2.541 0.000 0.000 +ASP 10 3.800 0.000 0.000 1.709 0.000 0.000 +GLY 11 3.800 0.000 0.000 0.000 0.000 0.000 +GLY 12 3.800 0.000 0.000 0.000 0.000 0.000 +PRO 13 3.800 0.000 0.000 1.345 0.000 0.000 +SER 14 3.800 0.000 0.000 1.150 0.000 0.000 +SER 15 3.800 0.000 0.000 1.150 0.000 0.000 +GLY 16 3.800 0.000 0.000 0.000 0.000 0.000 +ARG 17 3.800 0.000 0.000 3.020 0.000 0.000 +PRO 18 3.800 0.000 0.000 1.345 0.000 0.000 +PRO 19 3.800 0.000 0.000 1.345 0.000 0.000 +PRO 20 3.800 0.000 0.000 1.345 0.000 0.000 +SER 21 3.800 0.000 0.000 1.150 0.000 0.000 +D 22 3.800 0.000 0.000 0.000 0.000 0.000 + + +******************************************************************************** + Processor 6: end reading molecular data. +******************************************************************************** + + +CSA calculations calculation. + +Conformations will be energy-minimized. +******************************************************************************** + +Waiting for 0.1523 sec +Waiting for 0.1172 sec +Waiting for 0.0586 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0156 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec + Finishing minim_jlee - signal 0 from master +Waiting for 0.6016 sec +Waiting for 0.0391 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0156 sec +Waiting for 0.5586 sec +Waiting for 0.0117 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.4453 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.8750 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.1172 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 1.0391 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3086 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.4805 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2578 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3750 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.4258 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 1.4414 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2695 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0195 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.4141 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.4922 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3086 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.7422 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec 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0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3164 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0938 sec +Waiting for 0.3711 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2539 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3125 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3242 sec +Waiting for 0.0000 sec +Waiting for 0.0078 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0078 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3203 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2656 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.4180 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0195 sec +Waiting for 0.3516 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3867 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3281 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2930 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0625 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3164 sec +Waiting for 0.0195 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0078 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3359 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3242 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.4375 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3477 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.1562 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3828 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3359 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3203 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3906 sec + Finishing minim_jlee - signal 0 from master + End of minim, proc 6 time 194.406250000000 +CG processor 6 is finishing work. + Total wall clock time 198.640625000000 sec diff --git a/examples/unres/CSA/GAB/CSA/global/unrestrained/1l2y_csa.out_GB007 b/examples/unres/CSA/GAB/CSA/global/unrestrained/1l2y_csa.out_GB007 new file mode 100644 index 0000000..4273fc5 --- /dev/null +++ b/examples/unres/CSA/GAB/CSA/global/unrestrained/1l2y_csa.out_GB007 @@ -0,0 +1,1691 @@ +******************************************************************************** +United-residue force field calculation - parallel job. +******************************************************************************** + MPI: node= 7 iseed= -24477943 + ran_num 0.190019838302853 +RMSDBC = 3.0 +RMSDBC1 = 0.5 +RMSDBC1MAX = 1.5 +DRMS = 0.1 +RMSDBCM = 3.0 +Time limit (min): 960.0 + RESCALE_MODE 0 +Library routine used to diagonalize matrices. + +******************************************************************************** + Options in energy minimization: +******************************************************************************** +MaxMin: 3000 MaxFun: 1000MinMin: 3000 MinFun: 3000 TolF: 1.00000E-02 RTolF: 1.00000E-04 + NCONF_IN 0 + +Energy-term weights (unscaled): + +WSCC= 1.352790 (SC-SC) +WSCP= 1.593040 (SC-p) +WELEC= 0.715340 (p-p electr) +WVDWPP= 0.113710 (p-p VDW) +WBOND= 1.000000 (stretching) +WANG= 1.138730 (bending) +WSCLOC= 0.162580 (SC local) +WTOR= 1.985990 (torsional) +WTORD= 1.570690 (double torsional) +WSTRAIN= 1.000000 (SS bridges & dist. cnstr.) +WEL_LOC= 0.160360 (multi-body 3-rd order) +WCORR4= 0.428870 (multi-body 4th order) +WCORR5= 0.000000 (multi-body 5th order) +WCORR6= 0.000000 (multi-body 6th order) +WSCCOR= 0.000000 (back-scloc correlation) +WTURN3= 1.687220 (turns, 3rd order) +WTURN4= 0.662300 (turns, 4th order) +WTURN6= 0.000000 (turns, 6th order) +WDFA_D= 0.000000 (DFA, distance) +WDFA_T= 0.000000 (DFA, torsional) +WDFA_N= 0.000000 (DFA, number of neighbor) +WDFA_B= 0.000000 (DFA, beta formation) + +Hydrogen-bonding correlation between contact pairs of peptide groups + +Scaling factor of 1,4 SC-p interactions: 0.400 +General scaling factor of SC-p interactions: 1.000 + +Energy-term weights (scaled): + +WSCC= 1.352790 (SC-SC) +WSCP= 1.593040 (SC-p) +WELEC= 0.715340 (p-p electr) +WVDWPP= 0.113710 (p-p VDW) +WBOND= 1.000000 (stretching) +WANG= 1.138730 (bending) +WSCLOC= 0.162580 (SC local) +WTOR= 1.985990 (torsional) +WTORD= 1.570690 (double torsional) +WSTRAIN= 1.000000 (SS bridges & dist. cnstr.) +WEL_LOC= 0.160360 (multi-body 3-rd order) +WCORR4= 0.428870 (multi-body 4th order) +WCORR5= 0.000000 (multi-body 5th order) +WCORR6= 0.000000 (multi-body 6th order) +WSCCOR= 0.000000 (back-scloc correlatkion) +WTURN3= 1.687220 (turns, 3rd order) +WTURN4= 0.662300 (turns, 4th order) +WTURN6= 0.000000 (turns, 6th order) +WDFA_D= 0.000000 (DFA, distance) +WDFA_T= 0.000000 (DFA, torsional) +WDFA_N= 0.000000 (DFA, number of neighbor) +WDFA_B= 0.000000 (DFA, beta formation) + Reference temperature for weights calculation: 300.000000000000 + Parameters of the SS-bond potential: + D0CM 3.78000000000000 AKCM 15.1000000000000 AKTH + 11.0000000000000 AKCT 12.0000000000000 + V1SS -1.08000000000000 V2SS 7.61000000000000 V3SS + 13.7000000000000 + EBR -5.50000000000000 + ITEL + 1 21 0 + 2 14 1 + 3 5 1 + 4 8 1 + 5 4 1 + 6 13 1 + 7 7 1 + 8 5 1 + 9 19 1 + 10 16 1 + 11 10 1 + 12 10 2 + 13 20 1 + 14 12 1 + 15 12 1 + 16 10 1 + 17 18 2 + 18 20 2 + 19 20 2 + 20 20 1 + 21 12 0 + ns= 0 iss: + NZ_START= 2 NZ_END= 21 + IZ_SC= 0 + +Geometry of the virtual chain. + Res d Theta Gamma Dsc Alpha Beta +D 1 0.000 0.000 0.000 0.000 0.000 0.000 +ASN 2 3.800 0.000 0.000 1.684 0.000 0.000 +LEU 3 3.800 0.000 0.000 1.939 0.000 0.000 +TYR 4 3.800 0.000 0.000 2.484 0.000 0.000 +ILE 5 3.800 0.000 0.000 1.776 0.000 0.000 +GLN 6 3.800 0.000 0.000 2.240 0.000 0.000 +TRP 7 3.800 0.000 0.000 2.605 0.000 0.000 +LEU 8 3.800 0.000 0.000 1.939 0.000 0.000 +LYS 9 3.800 0.000 0.000 2.541 0.000 0.000 +ASP 10 3.800 0.000 0.000 1.709 0.000 0.000 +GLY 11 3.800 0.000 0.000 0.000 0.000 0.000 +GLY 12 3.800 0.000 0.000 0.000 0.000 0.000 +PRO 13 3.800 0.000 0.000 1.345 0.000 0.000 +SER 14 3.800 0.000 0.000 1.150 0.000 0.000 +SER 15 3.800 0.000 0.000 1.150 0.000 0.000 +GLY 16 3.800 0.000 0.000 0.000 0.000 0.000 +ARG 17 3.800 0.000 0.000 3.020 0.000 0.000 +PRO 18 3.800 0.000 0.000 1.345 0.000 0.000 +PRO 19 3.800 0.000 0.000 1.345 0.000 0.000 +PRO 20 3.800 0.000 0.000 1.345 0.000 0.000 +SER 21 3.800 0.000 0.000 1.150 0.000 0.000 +D 22 3.800 0.000 0.000 0.000 0.000 0.000 + + +******************************************************************************** + Processor 7: end reading molecular data. +******************************************************************************** + + +CSA calculations calculation. + +Conformations will be energy-minimized. +******************************************************************************** + +Waiting for 0.1562 sec +Waiting for 0.1250 sec +Waiting for 0.0195 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec + Finishing minim_jlee - signal 0 from master +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0586 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.4727 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0078 sec +Waiting for 0.0273 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.8633 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.1484 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 1.0234 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0078 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3242 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.5195 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0078 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3164 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.4258 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.4961 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 1.4180 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2969 sec +Waiting for 0.0000 sec +Waiting for 0.0195 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.4648 sec +Waiting for 0.0000 sec +Waiting for 0.0117 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.4453 sec +Waiting for 0.0000 sec +Waiting for 0.0273 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3164 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.6836 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3438 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.4336 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3086 sec +Waiting for 0.0000 sec +Waiting for 0.0352 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 1.0430 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.1289 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0195 sec +Waiting for 0.5234 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2656 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3125 sec +Waiting for 0.0000 sec 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0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3398 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0469 sec +Waiting for 0.3594 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec 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0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3203 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.3398 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.4766 sec +Waiting for 0.0039 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.3047 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2969 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3203 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3047 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0586 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2969 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3008 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2773 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0156 sec +Waiting for 0.4375 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3164 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.1953 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3828 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3164 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3008 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3594 sec + Finishing minim_jlee - signal 0 from master + End of minim, proc 7 time 191.367187500000 +CG processor 7 is finishing work. + Total wall clock time 198.640625000000 sec diff --git a/examples/unres/CSA/GAB/CSA/global/unrestrained/1l2y_csa.out_GB008 b/examples/unres/CSA/GAB/CSA/global/unrestrained/1l2y_csa.out_GB008 new file mode 100644 index 0000000..59b7ff4 --- /dev/null +++ b/examples/unres/CSA/GAB/CSA/global/unrestrained/1l2y_csa.out_GB008 @@ -0,0 +1,1621 @@ +******************************************************************************** +United-residue force field calculation - parallel job. +******************************************************************************** + MPI: node= 8 iseed= -27537686 + ran_num 0.463772084155633 +RMSDBC = 3.0 +RMSDBC1 = 0.5 +RMSDBC1MAX = 1.5 +DRMS = 0.1 +RMSDBCM = 3.0 +Time limit (min): 960.0 + RESCALE_MODE 0 +Library routine used to diagonalize matrices. + +******************************************************************************** + Options in energy minimization: +******************************************************************************** +MaxMin: 3000 MaxFun: 1000MinMin: 3000 MinFun: 3000 TolF: 1.00000E-02 RTolF: 1.00000E-04 + NCONF_IN 0 + +Energy-term weights (unscaled): + +WSCC= 1.352790 (SC-SC) +WSCP= 1.593040 (SC-p) +WELEC= 0.715340 (p-p electr) +WVDWPP= 0.113710 (p-p VDW) +WBOND= 1.000000 (stretching) +WANG= 1.138730 (bending) +WSCLOC= 0.162580 (SC local) +WTOR= 1.985990 (torsional) +WTORD= 1.570690 (double torsional) +WSTRAIN= 1.000000 (SS bridges & dist. cnstr.) +WEL_LOC= 0.160360 (multi-body 3-rd order) +WCORR4= 0.428870 (multi-body 4th order) +WCORR5= 0.000000 (multi-body 5th order) +WCORR6= 0.000000 (multi-body 6th order) +WSCCOR= 0.000000 (back-scloc correlation) +WTURN3= 1.687220 (turns, 3rd order) +WTURN4= 0.662300 (turns, 4th order) +WTURN6= 0.000000 (turns, 6th order) +WDFA_D= 0.000000 (DFA, distance) +WDFA_T= 0.000000 (DFA, torsional) +WDFA_N= 0.000000 (DFA, number of neighbor) +WDFA_B= 0.000000 (DFA, beta formation) + +Hydrogen-bonding correlation between contact pairs of peptide groups + +Scaling factor of 1,4 SC-p interactions: 0.400 +General scaling factor of SC-p interactions: 1.000 + +Energy-term weights (scaled): + +WSCC= 1.352790 (SC-SC) +WSCP= 1.593040 (SC-p) +WELEC= 0.715340 (p-p electr) +WVDWPP= 0.113710 (p-p VDW) +WBOND= 1.000000 (stretching) +WANG= 1.138730 (bending) +WSCLOC= 0.162580 (SC local) +WTOR= 1.985990 (torsional) +WTORD= 1.570690 (double torsional) +WSTRAIN= 1.000000 (SS bridges & dist. cnstr.) +WEL_LOC= 0.160360 (multi-body 3-rd order) +WCORR4= 0.428870 (multi-body 4th order) +WCORR5= 0.000000 (multi-body 5th order) +WCORR6= 0.000000 (multi-body 6th order) +WSCCOR= 0.000000 (back-scloc correlatkion) +WTURN3= 1.687220 (turns, 3rd order) +WTURN4= 0.662300 (turns, 4th order) +WTURN6= 0.000000 (turns, 6th order) +WDFA_D= 0.000000 (DFA, distance) +WDFA_T= 0.000000 (DFA, torsional) +WDFA_N= 0.000000 (DFA, number of neighbor) +WDFA_B= 0.000000 (DFA, beta formation) + Reference temperature for weights calculation: 300.000000000000 + Parameters of the SS-bond potential: + D0CM 3.78000000000000 AKCM 15.1000000000000 AKTH + 11.0000000000000 AKCT 12.0000000000000 + V1SS -1.08000000000000 V2SS 7.61000000000000 V3SS + 13.7000000000000 + EBR -5.50000000000000 + ITEL + 1 21 0 + 2 14 1 + 3 5 1 + 4 8 1 + 5 4 1 + 6 13 1 + 7 7 1 + 8 5 1 + 9 19 1 + 10 16 1 + 11 10 1 + 12 10 2 + 13 20 1 + 14 12 1 + 15 12 1 + 16 10 1 + 17 18 2 + 18 20 2 + 19 20 2 + 20 20 1 + 21 12 0 + ns= 0 iss: + NZ_START= 2 NZ_END= 21 + IZ_SC= 0 + +Geometry of the virtual chain. + Res d Theta Gamma Dsc Alpha Beta +D 1 0.000 0.000 0.000 0.000 0.000 0.000 +ASN 2 3.800 0.000 0.000 1.684 0.000 0.000 +LEU 3 3.800 0.000 0.000 1.939 0.000 0.000 +TYR 4 3.800 0.000 0.000 2.484 0.000 0.000 +ILE 5 3.800 0.000 0.000 1.776 0.000 0.000 +GLN 6 3.800 0.000 0.000 2.240 0.000 0.000 +TRP 7 3.800 0.000 0.000 2.605 0.000 0.000 +LEU 8 3.800 0.000 0.000 1.939 0.000 0.000 +LYS 9 3.800 0.000 0.000 2.541 0.000 0.000 +ASP 10 3.800 0.000 0.000 1.709 0.000 0.000 +GLY 11 3.800 0.000 0.000 0.000 0.000 0.000 +GLY 12 3.800 0.000 0.000 0.000 0.000 0.000 +PRO 13 3.800 0.000 0.000 1.345 0.000 0.000 +SER 14 3.800 0.000 0.000 1.150 0.000 0.000 +SER 15 3.800 0.000 0.000 1.150 0.000 0.000 +GLY 16 3.800 0.000 0.000 0.000 0.000 0.000 +ARG 17 3.800 0.000 0.000 3.020 0.000 0.000 +PRO 18 3.800 0.000 0.000 1.345 0.000 0.000 +PRO 19 3.800 0.000 0.000 1.345 0.000 0.000 +PRO 20 3.800 0.000 0.000 1.345 0.000 0.000 +SER 21 3.800 0.000 0.000 1.150 0.000 0.000 +D 22 3.800 0.000 0.000 0.000 0.000 0.000 + + +******************************************************************************** + Processor 8: end reading molecular data. +******************************************************************************** + + +CSA calculations calculation. + +Conformations will be energy-minimized. +******************************************************************************** + +Waiting for 0.1484 sec +Waiting for 0.0117 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec + Finishing minim_jlee - signal 0 from master +Waiting for 0.5977 sec +Waiting for 0.0352 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.5312 sec +Waiting for 0.0000 sec +Waiting for 0.0195 sec +Waiting for 0.0117 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0195 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.4922 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.8594 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.1367 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 1.0430 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0195 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2383 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.5234 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0156 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3281 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.4258 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0391 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.4492 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 1.4336 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3047 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.4727 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.4883 sec +Waiting for 0.0000 sec +Waiting for 0.0742 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.2812 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.7344 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3359 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.4062 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3086 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 1.0391 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2383 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0547 sec +Waiting for 0.5156 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2852 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0391 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3516 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2539 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3242 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec 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0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3125 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3281 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3633 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0312 sec 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0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3203 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2812 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3320 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2461 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0430 sec +Waiting for 0.4414 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2891 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3203 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3906 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3438 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.1758 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.4609 sec + Finishing minim_jlee - signal 0 from master + End of minim, proc 8 time 194.406250000000 +CG processor 8 is finishing work. + Total wall clock time 198.640625000000 sec diff --git a/examples/unres/CSA/GAB/CSA/global/unrestrained/1l2y_csa.out_GB009 b/examples/unres/CSA/GAB/CSA/global/unrestrained/1l2y_csa.out_GB009 new file mode 100644 index 0000000..50dfd30 --- /dev/null +++ b/examples/unres/CSA/GAB/CSA/global/unrestrained/1l2y_csa.out_GB009 @@ -0,0 +1,1632 @@ +******************************************************************************** +United-residue force field calculation - parallel job. +******************************************************************************** + MPI: node= 9 iseed= -30597429 + ran_num 0.737524330008412 +RMSDBC = 3.0 +RMSDBC1 = 0.5 +RMSDBC1MAX = 1.5 +DRMS = 0.1 +RMSDBCM = 3.0 +Time limit (min): 960.0 + RESCALE_MODE 0 +Library routine used to diagonalize matrices. + +******************************************************************************** + Options in energy minimization: +******************************************************************************** +MaxMin: 3000 MaxFun: 1000MinMin: 3000 MinFun: 3000 TolF: 1.00000E-02 RTolF: 1.00000E-04 + NCONF_IN 0 + +Energy-term weights (unscaled): + +WSCC= 1.352790 (SC-SC) +WSCP= 1.593040 (SC-p) +WELEC= 0.715340 (p-p electr) +WVDWPP= 0.113710 (p-p VDW) +WBOND= 1.000000 (stretching) +WANG= 1.138730 (bending) +WSCLOC= 0.162580 (SC local) +WTOR= 1.985990 (torsional) +WTORD= 1.570690 (double torsional) +WSTRAIN= 1.000000 (SS bridges & dist. cnstr.) +WEL_LOC= 0.160360 (multi-body 3-rd order) +WCORR4= 0.428870 (multi-body 4th order) +WCORR5= 0.000000 (multi-body 5th order) +WCORR6= 0.000000 (multi-body 6th order) +WSCCOR= 0.000000 (back-scloc correlation) +WTURN3= 1.687220 (turns, 3rd order) +WTURN4= 0.662300 (turns, 4th order) +WTURN6= 0.000000 (turns, 6th order) +WDFA_D= 0.000000 (DFA, distance) +WDFA_T= 0.000000 (DFA, torsional) +WDFA_N= 0.000000 (DFA, number of neighbor) +WDFA_B= 0.000000 (DFA, beta formation) + +Hydrogen-bonding correlation between contact pairs of peptide groups + +Scaling factor of 1,4 SC-p interactions: 0.400 +General scaling factor of SC-p interactions: 1.000 + +Energy-term weights (scaled): + +WSCC= 1.352790 (SC-SC) +WSCP= 1.593040 (SC-p) +WELEC= 0.715340 (p-p electr) +WVDWPP= 0.113710 (p-p VDW) +WBOND= 1.000000 (stretching) +WANG= 1.138730 (bending) +WSCLOC= 0.162580 (SC local) +WTOR= 1.985990 (torsional) +WTORD= 1.570690 (double torsional) +WSTRAIN= 1.000000 (SS bridges & dist. cnstr.) +WEL_LOC= 0.160360 (multi-body 3-rd order) +WCORR4= 0.428870 (multi-body 4th order) +WCORR5= 0.000000 (multi-body 5th order) +WCORR6= 0.000000 (multi-body 6th order) +WSCCOR= 0.000000 (back-scloc correlatkion) +WTURN3= 1.687220 (turns, 3rd order) +WTURN4= 0.662300 (turns, 4th order) +WTURN6= 0.000000 (turns, 6th order) +WDFA_D= 0.000000 (DFA, distance) +WDFA_T= 0.000000 (DFA, torsional) +WDFA_N= 0.000000 (DFA, number of neighbor) +WDFA_B= 0.000000 (DFA, beta formation) + Reference temperature for weights calculation: 300.000000000000 + Parameters of the SS-bond potential: + D0CM 3.78000000000000 AKCM 15.1000000000000 AKTH + 11.0000000000000 AKCT 12.0000000000000 + V1SS -1.08000000000000 V2SS 7.61000000000000 V3SS + 13.7000000000000 + EBR -5.50000000000000 + ITEL + 1 21 0 + 2 14 1 + 3 5 1 + 4 8 1 + 5 4 1 + 6 13 1 + 7 7 1 + 8 5 1 + 9 19 1 + 10 16 1 + 11 10 1 + 12 10 2 + 13 20 1 + 14 12 1 + 15 12 1 + 16 10 1 + 17 18 2 + 18 20 2 + 19 20 2 + 20 20 1 + 21 12 0 + ns= 0 iss: + NZ_START= 2 NZ_END= 21 + IZ_SC= 0 + +Geometry of the virtual chain. + Res d Theta Gamma Dsc Alpha Beta +D 1 0.000 0.000 0.000 0.000 0.000 0.000 +ASN 2 3.800 0.000 0.000 1.684 0.000 0.000 +LEU 3 3.800 0.000 0.000 1.939 0.000 0.000 +TYR 4 3.800 0.000 0.000 2.484 0.000 0.000 +ILE 5 3.800 0.000 0.000 1.776 0.000 0.000 +GLN 6 3.800 0.000 0.000 2.240 0.000 0.000 +TRP 7 3.800 0.000 0.000 2.605 0.000 0.000 +LEU 8 3.800 0.000 0.000 1.939 0.000 0.000 +LYS 9 3.800 0.000 0.000 2.541 0.000 0.000 +ASP 10 3.800 0.000 0.000 1.709 0.000 0.000 +GLY 11 3.800 0.000 0.000 0.000 0.000 0.000 +GLY 12 3.800 0.000 0.000 0.000 0.000 0.000 +PRO 13 3.800 0.000 0.000 1.345 0.000 0.000 +SER 14 3.800 0.000 0.000 1.150 0.000 0.000 +SER 15 3.800 0.000 0.000 1.150 0.000 0.000 +GLY 16 3.800 0.000 0.000 0.000 0.000 0.000 +ARG 17 3.800 0.000 0.000 3.020 0.000 0.000 +PRO 18 3.800 0.000 0.000 1.345 0.000 0.000 +PRO 19 3.800 0.000 0.000 1.345 0.000 0.000 +PRO 20 3.800 0.000 0.000 1.345 0.000 0.000 +SER 21 3.800 0.000 0.000 1.150 0.000 0.000 +D 22 3.800 0.000 0.000 0.000 0.000 0.000 + + +******************************************************************************** + Processor 9: end reading molecular data. +******************************************************************************** + + +CSA calculations calculation. + +Conformations will be energy-minimized. +******************************************************************************** + +Waiting for 0.1484 sec +Waiting for 0.2773 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec + Finishing minim_jlee - signal 0 from master +Waiting for 0.5977 sec +Waiting for 0.0000 sec +Waiting for 0.0078 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.6016 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0508 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0273 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.4961 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0234 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0078 sec +Waiting for 0.0078 sec +Waiting for 0.8633 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0547 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 1.0195 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0273 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2930 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.4961 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0781 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2852 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3867 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.4961 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 1.3867 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3164 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.4766 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.4492 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3242 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.7656 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3164 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.4219 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.3281 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 1.0469 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2461 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0586 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0742 sec +Waiting for 0.5117 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2891 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3320 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.3203 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3398 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3086 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3594 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0430 sec +Waiting for 0.0117 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.5078 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3203 sec +Waiting for 0.0078 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3555 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3672 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.4961 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec 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0.0000 sec +Waiting for 0.0781 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3125 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3242 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec 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0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3438 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3828 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2891 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2734 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.4219 sec + Finishing minim_jlee - signal 0 from master + End of minim, proc 9 time 194.406250000000 +CG processor 9 is finishing work. + Total wall clock time 198.636718750000 sec diff --git a/examples/unres/CSA/GAB/CSA/global/unrestrained/1l2y_csa.out_GB010 b/examples/unres/CSA/GAB/CSA/global/unrestrained/1l2y_csa.out_GB010 new file mode 100644 index 0000000..00188a5 --- /dev/null +++ b/examples/unres/CSA/GAB/CSA/global/unrestrained/1l2y_csa.out_GB010 @@ -0,0 +1,1648 @@ +******************************************************************************** +United-residue force field calculation - parallel job. +******************************************************************************** + MPI: node= 10 iseed= -33657172 + ran_num 1.127657586119180E-002 +RMSDBC = 3.0 +RMSDBC1 = 0.5 +RMSDBC1MAX = 1.5 +DRMS = 0.1 +RMSDBCM = 3.0 +Time limit (min): 960.0 + RESCALE_MODE 0 +Library routine used to diagonalize matrices. + +******************************************************************************** + Options in energy minimization: +******************************************************************************** +MaxMin: 3000 MaxFun: 1000MinMin: 3000 MinFun: 3000 TolF: 1.00000E-02 RTolF: 1.00000E-04 + NCONF_IN 0 + +Energy-term weights (unscaled): + +WSCC= 1.352790 (SC-SC) +WSCP= 1.593040 (SC-p) +WELEC= 0.715340 (p-p electr) +WVDWPP= 0.113710 (p-p VDW) +WBOND= 1.000000 (stretching) +WANG= 1.138730 (bending) +WSCLOC= 0.162580 (SC local) +WTOR= 1.985990 (torsional) +WTORD= 1.570690 (double torsional) +WSTRAIN= 1.000000 (SS bridges & dist. cnstr.) +WEL_LOC= 0.160360 (multi-body 3-rd order) +WCORR4= 0.428870 (multi-body 4th order) +WCORR5= 0.000000 (multi-body 5th order) +WCORR6= 0.000000 (multi-body 6th order) +WSCCOR= 0.000000 (back-scloc correlation) +WTURN3= 1.687220 (turns, 3rd order) +WTURN4= 0.662300 (turns, 4th order) +WTURN6= 0.000000 (turns, 6th order) +WDFA_D= 0.000000 (DFA, distance) +WDFA_T= 0.000000 (DFA, torsional) +WDFA_N= 0.000000 (DFA, number of neighbor) +WDFA_B= 0.000000 (DFA, beta formation) + +Hydrogen-bonding correlation between contact pairs of peptide groups + +Scaling factor of 1,4 SC-p interactions: 0.400 +General scaling factor of SC-p interactions: 1.000 + +Energy-term weights (scaled): + +WSCC= 1.352790 (SC-SC) +WSCP= 1.593040 (SC-p) +WELEC= 0.715340 (p-p electr) +WVDWPP= 0.113710 (p-p VDW) +WBOND= 1.000000 (stretching) +WANG= 1.138730 (bending) +WSCLOC= 0.162580 (SC local) +WTOR= 1.985990 (torsional) +WTORD= 1.570690 (double torsional) +WSTRAIN= 1.000000 (SS bridges & dist. cnstr.) +WEL_LOC= 0.160360 (multi-body 3-rd order) +WCORR4= 0.428870 (multi-body 4th order) +WCORR5= 0.000000 (multi-body 5th order) +WCORR6= 0.000000 (multi-body 6th order) +WSCCOR= 0.000000 (back-scloc correlatkion) +WTURN3= 1.687220 (turns, 3rd order) +WTURN4= 0.662300 (turns, 4th order) +WTURN6= 0.000000 (turns, 6th order) +WDFA_D= 0.000000 (DFA, distance) +WDFA_T= 0.000000 (DFA, torsional) +WDFA_N= 0.000000 (DFA, number of neighbor) +WDFA_B= 0.000000 (DFA, beta formation) + Reference temperature for weights calculation: 300.000000000000 + Parameters of the SS-bond potential: + D0CM 3.78000000000000 AKCM 15.1000000000000 AKTH + 11.0000000000000 AKCT 12.0000000000000 + V1SS -1.08000000000000 V2SS 7.61000000000000 V3SS + 13.7000000000000 + EBR -5.50000000000000 + ITEL + 1 21 0 + 2 14 1 + 3 5 1 + 4 8 1 + 5 4 1 + 6 13 1 + 7 7 1 + 8 5 1 + 9 19 1 + 10 16 1 + 11 10 1 + 12 10 2 + 13 20 1 + 14 12 1 + 15 12 1 + 16 10 1 + 17 18 2 + 18 20 2 + 19 20 2 + 20 20 1 + 21 12 0 + ns= 0 iss: + NZ_START= 2 NZ_END= 21 + IZ_SC= 0 + +Geometry of the virtual chain. + Res d Theta Gamma Dsc Alpha Beta +D 1 0.000 0.000 0.000 0.000 0.000 0.000 +ASN 2 3.800 0.000 0.000 1.684 0.000 0.000 +LEU 3 3.800 0.000 0.000 1.939 0.000 0.000 +TYR 4 3.800 0.000 0.000 2.484 0.000 0.000 +ILE 5 3.800 0.000 0.000 1.776 0.000 0.000 +GLN 6 3.800 0.000 0.000 2.240 0.000 0.000 +TRP 7 3.800 0.000 0.000 2.605 0.000 0.000 +LEU 8 3.800 0.000 0.000 1.939 0.000 0.000 +LYS 9 3.800 0.000 0.000 2.541 0.000 0.000 +ASP 10 3.800 0.000 0.000 1.709 0.000 0.000 +GLY 11 3.800 0.000 0.000 0.000 0.000 0.000 +GLY 12 3.800 0.000 0.000 0.000 0.000 0.000 +PRO 13 3.800 0.000 0.000 1.345 0.000 0.000 +SER 14 3.800 0.000 0.000 1.150 0.000 0.000 +SER 15 3.800 0.000 0.000 1.150 0.000 0.000 +GLY 16 3.800 0.000 0.000 0.000 0.000 0.000 +ARG 17 3.800 0.000 0.000 3.020 0.000 0.000 +PRO 18 3.800 0.000 0.000 1.345 0.000 0.000 +PRO 19 3.800 0.000 0.000 1.345 0.000 0.000 +PRO 20 3.800 0.000 0.000 1.345 0.000 0.000 +SER 21 3.800 0.000 0.000 1.150 0.000 0.000 +D 22 3.800 0.000 0.000 0.000 0.000 0.000 + + +******************************************************************************** + Processor 10: end reading molecular data. +******************************************************************************** + + +CSA calculations calculation. + +Conformations will be energy-minimized. +******************************************************************************** + +Waiting for 0.1445 sec +Waiting for 0.1719 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec + Finishing minim_jlee - signal 0 from master +Waiting for 0.6211 sec +Waiting for 0.0195 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.6016 sec +Waiting for 0.0078 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0273 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.5156 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.8633 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.1445 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 1.0234 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3086 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.5156 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3164 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0273 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.4219 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0430 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.4766 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 1.4531 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2305 sec +Waiting for 0.0000 sec +Waiting for 0.0312 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0039 sec +Waiting for 0.4688 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.4922 sec +Waiting for 0.0469 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3281 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.7500 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3594 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.3867 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3047 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 1.0352 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2344 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0898 sec +Waiting for 0.4961 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2734 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0469 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2891 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2969 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3359 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0117 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2969 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3281 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0430 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3750 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3242 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3320 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.3789 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0078 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.4961 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.2773 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3047 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3594 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3633 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3125 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2578 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3711 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3125 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3086 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3438 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0039 sec +Waiting for 0.2539 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0820 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec 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0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.5508 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3008 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.3516 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec 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0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.2930 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3203 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0039 sec +Waiting for 0.1992 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec 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0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3555 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3516 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec 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0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3711 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.9141 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3281 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec 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0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.4688 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.4414 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.8672 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec 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0.0430 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3438 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0391 sec +Waiting for 0.4062 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3750 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec 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0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3594 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3516 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.2812 sec +Waiting for 0.0000 sec 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0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2617 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0078 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.4648 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec 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0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.3125 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0742 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.3125 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3359 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3320 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0078 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.4414 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3203 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3359 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3945 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2344 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3047 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.4648 sec + Finishing minim_jlee - signal 0 from master + End of minim, proc 10 time 194.410156250000 +CG processor 10 is finishing work. + Total wall clock time 198.636718750000 sec diff --git a/examples/unres/CSA/GAB/CSA/global/unrestrained/1l2y_csa.out_GB011 b/examples/unres/CSA/GAB/CSA/global/unrestrained/1l2y_csa.out_GB011 new file mode 100644 index 0000000..7289887 --- /dev/null +++ b/examples/unres/CSA/GAB/CSA/global/unrestrained/1l2y_csa.out_GB011 @@ -0,0 +1,1645 @@ +******************************************************************************** +United-residue force field calculation - parallel job. +******************************************************************************** + MPI: node= 11 iseed= -36716915 + ran_num 0.285028821713971 +RMSDBC = 3.0 +RMSDBC1 = 0.5 +RMSDBC1MAX = 1.5 +DRMS = 0.1 +RMSDBCM = 3.0 +Time limit (min): 960.0 + RESCALE_MODE 0 +Library routine used to diagonalize matrices. + +******************************************************************************** + Options in energy minimization: +******************************************************************************** +MaxMin: 3000 MaxFun: 1000MinMin: 3000 MinFun: 3000 TolF: 1.00000E-02 RTolF: 1.00000E-04 + NCONF_IN 0 + +Energy-term weights (unscaled): + +WSCC= 1.352790 (SC-SC) +WSCP= 1.593040 (SC-p) +WELEC= 0.715340 (p-p electr) +WVDWPP= 0.113710 (p-p VDW) +WBOND= 1.000000 (stretching) +WANG= 1.138730 (bending) +WSCLOC= 0.162580 (SC local) +WTOR= 1.985990 (torsional) +WTORD= 1.570690 (double torsional) +WSTRAIN= 1.000000 (SS bridges & dist. cnstr.) +WEL_LOC= 0.160360 (multi-body 3-rd order) +WCORR4= 0.428870 (multi-body 4th order) +WCORR5= 0.000000 (multi-body 5th order) +WCORR6= 0.000000 (multi-body 6th order) +WSCCOR= 0.000000 (back-scloc correlation) +WTURN3= 1.687220 (turns, 3rd order) +WTURN4= 0.662300 (turns, 4th order) +WTURN6= 0.000000 (turns, 6th order) +WDFA_D= 0.000000 (DFA, distance) +WDFA_T= 0.000000 (DFA, torsional) +WDFA_N= 0.000000 (DFA, number of neighbor) +WDFA_B= 0.000000 (DFA, beta formation) + +Hydrogen-bonding correlation between contact pairs of peptide groups + +Scaling factor of 1,4 SC-p interactions: 0.400 +General scaling factor of SC-p interactions: 1.000 + +Energy-term weights (scaled): + +WSCC= 1.352790 (SC-SC) +WSCP= 1.593040 (SC-p) +WELEC= 0.715340 (p-p electr) +WVDWPP= 0.113710 (p-p VDW) +WBOND= 1.000000 (stretching) +WANG= 1.138730 (bending) +WSCLOC= 0.162580 (SC local) +WTOR= 1.985990 (torsional) +WTORD= 1.570690 (double torsional) +WSTRAIN= 1.000000 (SS bridges & dist. cnstr.) +WEL_LOC= 0.160360 (multi-body 3-rd order) +WCORR4= 0.428870 (multi-body 4th order) +WCORR5= 0.000000 (multi-body 5th order) +WCORR6= 0.000000 (multi-body 6th order) +WSCCOR= 0.000000 (back-scloc correlatkion) +WTURN3= 1.687220 (turns, 3rd order) +WTURN4= 0.662300 (turns, 4th order) +WTURN6= 0.000000 (turns, 6th order) +WDFA_D= 0.000000 (DFA, distance) +WDFA_T= 0.000000 (DFA, torsional) +WDFA_N= 0.000000 (DFA, number of neighbor) +WDFA_B= 0.000000 (DFA, beta formation) + Reference temperature for weights calculation: 300.000000000000 + Parameters of the SS-bond potential: + D0CM 3.78000000000000 AKCM 15.1000000000000 AKTH + 11.0000000000000 AKCT 12.0000000000000 + V1SS -1.08000000000000 V2SS 7.61000000000000 V3SS + 13.7000000000000 + EBR -5.50000000000000 + ITEL + 1 21 0 + 2 14 1 + 3 5 1 + 4 8 1 + 5 4 1 + 6 13 1 + 7 7 1 + 8 5 1 + 9 19 1 + 10 16 1 + 11 10 1 + 12 10 2 + 13 20 1 + 14 12 1 + 15 12 1 + 16 10 1 + 17 18 2 + 18 20 2 + 19 20 2 + 20 20 1 + 21 12 0 + ns= 0 iss: + NZ_START= 2 NZ_END= 21 + IZ_SC= 0 + +Geometry of the virtual chain. + Res d Theta Gamma Dsc Alpha Beta +D 1 0.000 0.000 0.000 0.000 0.000 0.000 +ASN 2 3.800 0.000 0.000 1.684 0.000 0.000 +LEU 3 3.800 0.000 0.000 1.939 0.000 0.000 +TYR 4 3.800 0.000 0.000 2.484 0.000 0.000 +ILE 5 3.800 0.000 0.000 1.776 0.000 0.000 +GLN 6 3.800 0.000 0.000 2.240 0.000 0.000 +TRP 7 3.800 0.000 0.000 2.605 0.000 0.000 +LEU 8 3.800 0.000 0.000 1.939 0.000 0.000 +LYS 9 3.800 0.000 0.000 2.541 0.000 0.000 +ASP 10 3.800 0.000 0.000 1.709 0.000 0.000 +GLY 11 3.800 0.000 0.000 0.000 0.000 0.000 +GLY 12 3.800 0.000 0.000 0.000 0.000 0.000 +PRO 13 3.800 0.000 0.000 1.345 0.000 0.000 +SER 14 3.800 0.000 0.000 1.150 0.000 0.000 +SER 15 3.800 0.000 0.000 1.150 0.000 0.000 +GLY 16 3.800 0.000 0.000 0.000 0.000 0.000 +ARG 17 3.800 0.000 0.000 3.020 0.000 0.000 +PRO 18 3.800 0.000 0.000 1.345 0.000 0.000 +PRO 19 3.800 0.000 0.000 1.345 0.000 0.000 +PRO 20 3.800 0.000 0.000 1.345 0.000 0.000 +SER 21 3.800 0.000 0.000 1.150 0.000 0.000 +D 22 3.800 0.000 0.000 0.000 0.000 0.000 + + +******************************************************************************** + Processor 11: end reading molecular data. +******************************************************************************** + + +CSA calculations calculation. + +Conformations will be energy-minimized. +******************************************************************************** + +Waiting for 0.1523 sec +Waiting for 0.2109 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec + Finishing minim_jlee - signal 0 from master +Waiting for 0.5977 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.5977 sec +Waiting for 0.0078 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.5156 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.8828 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.1719 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 1.0156 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2852 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.5312 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0391 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3125 sec +Waiting for 0.0195 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.4141 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.5039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 1.4375 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.3047 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.5000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.4375 sec +Waiting for 0.1523 sec +Waiting for 0.0039 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3398 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0078 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.7812 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2969 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3906 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3008 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 1.0312 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2031 sec +Waiting for 0.0000 sec +Waiting for 0.0508 sec +Waiting for 0.0156 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0312 sec +Waiting for 0.5195 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2773 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0078 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.3086 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3281 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3203 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0078 sec +Waiting for 0.0430 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2539 sec +Waiting for 0.0078 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.3633 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.3945 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.3555 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2305 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.4023 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.4453 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3164 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3359 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3633 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2773 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3555 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2148 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3516 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3086 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3320 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3867 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2812 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0742 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.3359 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.5938 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.4961 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.5859 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3320 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3633 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3633 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2930 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0078 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3047 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.3672 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2227 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3438 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3555 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3516 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3320 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3477 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2461 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3945 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.7188 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.3828 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.8203 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3281 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.4336 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3359 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3359 sec +Waiting for 0.0000 sec +Waiting for 0.5898 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3906 sec +Waiting for 0.0586 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.4492 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.7930 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3281 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.4219 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3555 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0117 sec +Waiting for 0.0625 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.3516 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.4102 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3984 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3281 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.5430 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.3125 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3438 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0195 sec +Waiting for 0.3672 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2930 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.1992 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3242 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.2383 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2070 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.4492 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0391 sec +Waiting for 0.3789 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.4375 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3359 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3359 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0547 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.1836 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2578 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3555 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0273 sec +Waiting for 0.4023 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2852 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3438 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.4062 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3555 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3086 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.4531 sec + Finishing minim_jlee - signal 0 from master + End of minim, proc 11 time 194.406250000000 +CG processor 11 is finishing work. + Total wall clock time 198.640625000000 sec diff --git a/examples/unres/CSA/GAB/CSA/global/unrestrained/1l2y_csa.out_GB012 b/examples/unres/CSA/GAB/CSA/global/unrestrained/1l2y_csa.out_GB012 new file mode 100644 index 0000000..49ef6ac --- /dev/null +++ b/examples/unres/CSA/GAB/CSA/global/unrestrained/1l2y_csa.out_GB012 @@ -0,0 +1,1613 @@ +******************************************************************************** +United-residue force field calculation - parallel job. +******************************************************************************** + MPI: node= 12 iseed= -39776658 + ran_num 0.558781067566751 +RMSDBC = 3.0 +RMSDBC1 = 0.5 +RMSDBC1MAX = 1.5 +DRMS = 0.1 +RMSDBCM = 3.0 +Time limit (min): 960.0 + RESCALE_MODE 0 +Library routine used to diagonalize matrices. + +******************************************************************************** + Options in energy minimization: +******************************************************************************** +MaxMin: 3000 MaxFun: 1000MinMin: 3000 MinFun: 3000 TolF: 1.00000E-02 RTolF: 1.00000E-04 + NCONF_IN 0 + +Energy-term weights (unscaled): + +WSCC= 1.352790 (SC-SC) +WSCP= 1.593040 (SC-p) +WELEC= 0.715340 (p-p electr) +WVDWPP= 0.113710 (p-p VDW) +WBOND= 1.000000 (stretching) +WANG= 1.138730 (bending) +WSCLOC= 0.162580 (SC local) +WTOR= 1.985990 (torsional) +WTORD= 1.570690 (double torsional) +WSTRAIN= 1.000000 (SS bridges & dist. cnstr.) +WEL_LOC= 0.160360 (multi-body 3-rd order) +WCORR4= 0.428870 (multi-body 4th order) +WCORR5= 0.000000 (multi-body 5th order) +WCORR6= 0.000000 (multi-body 6th order) +WSCCOR= 0.000000 (back-scloc correlation) +WTURN3= 1.687220 (turns, 3rd order) +WTURN4= 0.662300 (turns, 4th order) +WTURN6= 0.000000 (turns, 6th order) +WDFA_D= 0.000000 (DFA, distance) +WDFA_T= 0.000000 (DFA, torsional) +WDFA_N= 0.000000 (DFA, number of neighbor) +WDFA_B= 0.000000 (DFA, beta formation) + +Hydrogen-bonding correlation between contact pairs of peptide groups + +Scaling factor of 1,4 SC-p interactions: 0.400 +General scaling factor of SC-p interactions: 1.000 + +Energy-term weights (scaled): + +WSCC= 1.352790 (SC-SC) +WSCP= 1.593040 (SC-p) +WELEC= 0.715340 (p-p electr) +WVDWPP= 0.113710 (p-p VDW) +WBOND= 1.000000 (stretching) +WANG= 1.138730 (bending) +WSCLOC= 0.162580 (SC local) +WTOR= 1.985990 (torsional) +WTORD= 1.570690 (double torsional) +WSTRAIN= 1.000000 (SS bridges & dist. cnstr.) +WEL_LOC= 0.160360 (multi-body 3-rd order) +WCORR4= 0.428870 (multi-body 4th order) +WCORR5= 0.000000 (multi-body 5th order) +WCORR6= 0.000000 (multi-body 6th order) +WSCCOR= 0.000000 (back-scloc correlatkion) +WTURN3= 1.687220 (turns, 3rd order) +WTURN4= 0.662300 (turns, 4th order) +WTURN6= 0.000000 (turns, 6th order) +WDFA_D= 0.000000 (DFA, distance) +WDFA_T= 0.000000 (DFA, torsional) +WDFA_N= 0.000000 (DFA, number of neighbor) +WDFA_B= 0.000000 (DFA, beta formation) + Reference temperature for weights calculation: 300.000000000000 + Parameters of the SS-bond potential: + D0CM 3.78000000000000 AKCM 15.1000000000000 AKTH + 11.0000000000000 AKCT 12.0000000000000 + V1SS -1.08000000000000 V2SS 7.61000000000000 V3SS + 13.7000000000000 + EBR -5.50000000000000 + ITEL + 1 21 0 + 2 14 1 + 3 5 1 + 4 8 1 + 5 4 1 + 6 13 1 + 7 7 1 + 8 5 1 + 9 19 1 + 10 16 1 + 11 10 1 + 12 10 2 + 13 20 1 + 14 12 1 + 15 12 1 + 16 10 1 + 17 18 2 + 18 20 2 + 19 20 2 + 20 20 1 + 21 12 0 + ns= 0 iss: + NZ_START= 2 NZ_END= 21 + IZ_SC= 0 + +Geometry of the virtual chain. + Res d Theta Gamma Dsc Alpha Beta +D 1 0.000 0.000 0.000 0.000 0.000 0.000 +ASN 2 3.800 0.000 0.000 1.684 0.000 0.000 +LEU 3 3.800 0.000 0.000 1.939 0.000 0.000 +TYR 4 3.800 0.000 0.000 2.484 0.000 0.000 +ILE 5 3.800 0.000 0.000 1.776 0.000 0.000 +GLN 6 3.800 0.000 0.000 2.240 0.000 0.000 +TRP 7 3.800 0.000 0.000 2.605 0.000 0.000 +LEU 8 3.800 0.000 0.000 1.939 0.000 0.000 +LYS 9 3.800 0.000 0.000 2.541 0.000 0.000 +ASP 10 3.800 0.000 0.000 1.709 0.000 0.000 +GLY 11 3.800 0.000 0.000 0.000 0.000 0.000 +GLY 12 3.800 0.000 0.000 0.000 0.000 0.000 +PRO 13 3.800 0.000 0.000 1.345 0.000 0.000 +SER 14 3.800 0.000 0.000 1.150 0.000 0.000 +SER 15 3.800 0.000 0.000 1.150 0.000 0.000 +GLY 16 3.800 0.000 0.000 0.000 0.000 0.000 +ARG 17 3.800 0.000 0.000 3.020 0.000 0.000 +PRO 18 3.800 0.000 0.000 1.345 0.000 0.000 +PRO 19 3.800 0.000 0.000 1.345 0.000 0.000 +PRO 20 3.800 0.000 0.000 1.345 0.000 0.000 +SER 21 3.800 0.000 0.000 1.150 0.000 0.000 +D 22 3.800 0.000 0.000 0.000 0.000 0.000 + + +******************************************************************************** + Processor 12: end reading molecular data. +******************************************************************************** + + +CSA calculations calculation. + +Conformations will be energy-minimized. +******************************************************************************** + +Waiting for 0.1406 sec +Waiting for 0.1992 sec +Waiting for 0.0625 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec + Finishing minim_jlee - signal 0 from master +Waiting for 0.5977 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.5703 sec +Waiting for 0.0000 sec +Waiting for 0.0742 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.4102 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.8359 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0820 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.9023 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2969 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.5195 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0742 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3203 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0078 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.4141 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.5000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0078 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 1.3984 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2500 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.3906 sec +Waiting for 0.0391 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.5039 sec +Waiting for 0.0000 sec +Waiting for 0.0391 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2617 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0078 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.7031 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3555 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.4258 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3008 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 1.0273 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.1602 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0117 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.5898 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3047 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3047 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3125 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.2852 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3125 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2617 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.4961 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3047 sec +Waiting for 0.0117 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3516 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3555 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.5430 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3477 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3359 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3438 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2734 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3164 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2070 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3242 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3008 sec +Waiting for 0.0078 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2930 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3555 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2695 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3047 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.5977 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.5000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.5664 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3242 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3477 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3633 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3906 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.2305 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.3633 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.1875 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3516 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.3438 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3438 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3320 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.1953 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0078 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3594 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3906 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.7422 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3789 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.8672 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.3359 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.4180 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0039 sec +Waiting for 0.3672 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3125 sec +Waiting for 0.0000 sec +Waiting for 0.6172 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.4062 sec +Waiting for 0.0000 sec +Waiting for 0.0195 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.4609 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.8359 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3164 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.4219 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0039 sec +Waiting for 0.3477 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0469 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3281 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0547 sec +Waiting for 0.3828 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3750 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2969 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.5820 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2422 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3320 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0078 sec +Waiting for 0.3477 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3281 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0078 sec +Waiting for 0.2461 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3281 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0078 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2734 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.2500 sec +Waiting for 0.0039 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.4570 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0078 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0273 sec +Waiting for 0.3594 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.4102 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2891 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2969 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0352 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3008 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2500 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.3672 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.4414 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0078 sec +Waiting for 0.0000 sec +Waiting for 0.3086 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.3359 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3750 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3008 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2070 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.4102 sec + Finishing minim_jlee - signal 0 from master + End of minim, proc 12 time 194.402343750000 +CG processor 12 is finishing work. + Total wall clock time 198.636718750000 sec diff --git a/examples/unres/CSA/GAB/CSA/global/unrestrained/1l2y_csa.out_GB013 b/examples/unres/CSA/GAB/CSA/global/unrestrained/1l2y_csa.out_GB013 new file mode 100644 index 0000000..35f44b8 --- /dev/null +++ b/examples/unres/CSA/GAB/CSA/global/unrestrained/1l2y_csa.out_GB013 @@ -0,0 +1,1653 @@ +******************************************************************************** +United-residue force field calculation - parallel job. +******************************************************************************** + MPI: node= 13 iseed= -42836401 + ran_num 0.832533313419530 +RMSDBC = 3.0 +RMSDBC1 = 0.5 +RMSDBC1MAX = 1.5 +DRMS = 0.1 +RMSDBCM = 3.0 +Time limit (min): 960.0 + RESCALE_MODE 0 +Library routine used to diagonalize matrices. + +******************************************************************************** + Options in energy minimization: +******************************************************************************** +MaxMin: 3000 MaxFun: 1000MinMin: 3000 MinFun: 3000 TolF: 1.00000E-02 RTolF: 1.00000E-04 + NCONF_IN 0 + +Energy-term weights (unscaled): + +WSCC= 1.352790 (SC-SC) +WSCP= 1.593040 (SC-p) +WELEC= 0.715340 (p-p electr) +WVDWPP= 0.113710 (p-p VDW) +WBOND= 1.000000 (stretching) +WANG= 1.138730 (bending) +WSCLOC= 0.162580 (SC local) +WTOR= 1.985990 (torsional) +WTORD= 1.570690 (double torsional) +WSTRAIN= 1.000000 (SS bridges & dist. cnstr.) +WEL_LOC= 0.160360 (multi-body 3-rd order) +WCORR4= 0.428870 (multi-body 4th order) +WCORR5= 0.000000 (multi-body 5th order) +WCORR6= 0.000000 (multi-body 6th order) +WSCCOR= 0.000000 (back-scloc correlation) +WTURN3= 1.687220 (turns, 3rd order) +WTURN4= 0.662300 (turns, 4th order) +WTURN6= 0.000000 (turns, 6th order) +WDFA_D= 0.000000 (DFA, distance) +WDFA_T= 0.000000 (DFA, torsional) +WDFA_N= 0.000000 (DFA, number of neighbor) +WDFA_B= 0.000000 (DFA, beta formation) + +Hydrogen-bonding correlation between contact pairs of peptide groups + +Scaling factor of 1,4 SC-p interactions: 0.400 +General scaling factor of SC-p interactions: 1.000 + +Energy-term weights (scaled): + +WSCC= 1.352790 (SC-SC) +WSCP= 1.593040 (SC-p) +WELEC= 0.715340 (p-p electr) +WVDWPP= 0.113710 (p-p VDW) +WBOND= 1.000000 (stretching) +WANG= 1.138730 (bending) +WSCLOC= 0.162580 (SC local) +WTOR= 1.985990 (torsional) +WTORD= 1.570690 (double torsional) +WSTRAIN= 1.000000 (SS bridges & dist. cnstr.) +WEL_LOC= 0.160360 (multi-body 3-rd order) +WCORR4= 0.428870 (multi-body 4th order) +WCORR5= 0.000000 (multi-body 5th order) +WCORR6= 0.000000 (multi-body 6th order) +WSCCOR= 0.000000 (back-scloc correlatkion) +WTURN3= 1.687220 (turns, 3rd order) +WTURN4= 0.662300 (turns, 4th order) +WTURN6= 0.000000 (turns, 6th order) +WDFA_D= 0.000000 (DFA, distance) +WDFA_T= 0.000000 (DFA, torsional) +WDFA_N= 0.000000 (DFA, number of neighbor) +WDFA_B= 0.000000 (DFA, beta formation) + Reference temperature for weights calculation: 300.000000000000 + Parameters of the SS-bond potential: + D0CM 3.78000000000000 AKCM 15.1000000000000 AKTH + 11.0000000000000 AKCT 12.0000000000000 + V1SS -1.08000000000000 V2SS 7.61000000000000 V3SS + 13.7000000000000 + EBR -5.50000000000000 + ITEL + 1 21 0 + 2 14 1 + 3 5 1 + 4 8 1 + 5 4 1 + 6 13 1 + 7 7 1 + 8 5 1 + 9 19 1 + 10 16 1 + 11 10 1 + 12 10 2 + 13 20 1 + 14 12 1 + 15 12 1 + 16 10 1 + 17 18 2 + 18 20 2 + 19 20 2 + 20 20 1 + 21 12 0 + ns= 0 iss: + NZ_START= 2 NZ_END= 21 + IZ_SC= 0 + +Geometry of the virtual chain. + Res d Theta Gamma Dsc Alpha Beta +D 1 0.000 0.000 0.000 0.000 0.000 0.000 +ASN 2 3.800 0.000 0.000 1.684 0.000 0.000 +LEU 3 3.800 0.000 0.000 1.939 0.000 0.000 +TYR 4 3.800 0.000 0.000 2.484 0.000 0.000 +ILE 5 3.800 0.000 0.000 1.776 0.000 0.000 +GLN 6 3.800 0.000 0.000 2.240 0.000 0.000 +TRP 7 3.800 0.000 0.000 2.605 0.000 0.000 +LEU 8 3.800 0.000 0.000 1.939 0.000 0.000 +LYS 9 3.800 0.000 0.000 2.541 0.000 0.000 +ASP 10 3.800 0.000 0.000 1.709 0.000 0.000 +GLY 11 3.800 0.000 0.000 0.000 0.000 0.000 +GLY 12 3.800 0.000 0.000 0.000 0.000 0.000 +PRO 13 3.800 0.000 0.000 1.345 0.000 0.000 +SER 14 3.800 0.000 0.000 1.150 0.000 0.000 +SER 15 3.800 0.000 0.000 1.150 0.000 0.000 +GLY 16 3.800 0.000 0.000 0.000 0.000 0.000 +ARG 17 3.800 0.000 0.000 3.020 0.000 0.000 +PRO 18 3.800 0.000 0.000 1.345 0.000 0.000 +PRO 19 3.800 0.000 0.000 1.345 0.000 0.000 +PRO 20 3.800 0.000 0.000 1.345 0.000 0.000 +SER 21 3.800 0.000 0.000 1.150 0.000 0.000 +D 22 3.800 0.000 0.000 0.000 0.000 0.000 + + +******************************************************************************** + Processor 13: end reading molecular data. +******************************************************************************** + + +CSA calculations calculation. + +Conformations will be energy-minimized. +******************************************************************************** + +Waiting for 0.1445 sec +Waiting for 0.2734 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0117 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec + Finishing minim_jlee - signal 0 from master +Waiting for 0.6016 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.5508 sec +Waiting for 0.0195 sec +Waiting for 0.0195 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0156 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.4805 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0430 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.8711 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.1328 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 1.0273 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3281 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.5117 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3086 sec +Waiting for 0.0195 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0508 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.4258 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.4609 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 1.3750 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2891 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.4961 sec +Waiting for 0.0000 sec +Waiting for 0.0234 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0078 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.5078 sec +Waiting for 0.0000 sec +Waiting for 0.0117 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.2461 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.7656 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3555 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.4453 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3125 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 1.0352 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2734 sec +Waiting for 0.0664 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.6172 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3164 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0312 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3359 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3320 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3516 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0234 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.2969 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3359 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.5039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3398 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3594 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3789 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.5156 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3125 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3359 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3086 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3008 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2695 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2422 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3555 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.3281 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3516 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.3320 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2773 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3242 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.5195 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0078 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.4883 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.5508 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3398 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3789 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3555 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.4062 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2852 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3672 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0078 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3164 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2812 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.3633 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3633 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3594 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3477 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2773 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.4023 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.7617 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3281 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.9336 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3438 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.4258 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3359 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3164 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.5938 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.4258 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.4570 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.8438 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3164 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.5117 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3555 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0430 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3047 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0156 sec +Waiting for 0.4062 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3789 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3125 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.5312 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0078 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3047 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3242 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3320 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3125 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3125 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3125 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2969 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3320 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.4688 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0430 sec +Waiting for 0.3672 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.4336 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2305 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3438 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0547 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2891 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2539 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3516 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0078 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0273 sec +Waiting for 0.4453 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3398 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3242 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3477 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3516 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3086 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.4258 sec + Finishing minim_jlee - signal 0 from master + End of minim, proc 13 time 194.402343750000 +CG processor 13 is finishing work. + Total wall clock time 198.636718750000 sec diff --git a/examples/unres/CSA/GAB/CSA/global/unrestrained/1l2y_csa.out_GB014 b/examples/unres/CSA/GAB/CSA/global/unrestrained/1l2y_csa.out_GB014 new file mode 100644 index 0000000..865ae6a --- /dev/null +++ b/examples/unres/CSA/GAB/CSA/global/unrestrained/1l2y_csa.out_GB014 @@ -0,0 +1,1661 @@ +******************************************************************************** +United-residue force field calculation - parallel job. +******************************************************************************** + MPI: node= 14 iseed= -45896144 + ran_num 0.106285559272310 +RMSDBC = 3.0 +RMSDBC1 = 0.5 +RMSDBC1MAX = 1.5 +DRMS = 0.1 +RMSDBCM = 3.0 +Time limit (min): 960.0 + RESCALE_MODE 0 +Library routine used to diagonalize matrices. + +******************************************************************************** + Options in energy minimization: +******************************************************************************** +MaxMin: 3000 MaxFun: 1000MinMin: 3000 MinFun: 3000 TolF: 1.00000E-02 RTolF: 1.00000E-04 + NCONF_IN 0 + +Energy-term weights (unscaled): + +WSCC= 1.352790 (SC-SC) +WSCP= 1.593040 (SC-p) +WELEC= 0.715340 (p-p electr) +WVDWPP= 0.113710 (p-p VDW) +WBOND= 1.000000 (stretching) +WANG= 1.138730 (bending) +WSCLOC= 0.162580 (SC local) +WTOR= 1.985990 (torsional) +WTORD= 1.570690 (double torsional) +WSTRAIN= 1.000000 (SS bridges & dist. cnstr.) +WEL_LOC= 0.160360 (multi-body 3-rd order) +WCORR4= 0.428870 (multi-body 4th order) +WCORR5= 0.000000 (multi-body 5th order) +WCORR6= 0.000000 (multi-body 6th order) +WSCCOR= 0.000000 (back-scloc correlation) +WTURN3= 1.687220 (turns, 3rd order) +WTURN4= 0.662300 (turns, 4th order) +WTURN6= 0.000000 (turns, 6th order) +WDFA_D= 0.000000 (DFA, distance) +WDFA_T= 0.000000 (DFA, torsional) +WDFA_N= 0.000000 (DFA, number of neighbor) +WDFA_B= 0.000000 (DFA, beta formation) + +Hydrogen-bonding correlation between contact pairs of peptide groups + +Scaling factor of 1,4 SC-p interactions: 0.400 +General scaling factor of SC-p interactions: 1.000 + +Energy-term weights (scaled): + +WSCC= 1.352790 (SC-SC) +WSCP= 1.593040 (SC-p) +WELEC= 0.715340 (p-p electr) +WVDWPP= 0.113710 (p-p VDW) +WBOND= 1.000000 (stretching) +WANG= 1.138730 (bending) +WSCLOC= 0.162580 (SC local) +WTOR= 1.985990 (torsional) +WTORD= 1.570690 (double torsional) +WSTRAIN= 1.000000 (SS bridges & dist. cnstr.) +WEL_LOC= 0.160360 (multi-body 3-rd order) +WCORR4= 0.428870 (multi-body 4th order) +WCORR5= 0.000000 (multi-body 5th order) +WCORR6= 0.000000 (multi-body 6th order) +WSCCOR= 0.000000 (back-scloc correlatkion) +WTURN3= 1.687220 (turns, 3rd order) +WTURN4= 0.662300 (turns, 4th order) +WTURN6= 0.000000 (turns, 6th order) +WDFA_D= 0.000000 (DFA, distance) +WDFA_T= 0.000000 (DFA, torsional) +WDFA_N= 0.000000 (DFA, number of neighbor) +WDFA_B= 0.000000 (DFA, beta formation) + Reference temperature for weights calculation: 300.000000000000 + Parameters of the SS-bond potential: + D0CM 3.78000000000000 AKCM 15.1000000000000 AKTH + 11.0000000000000 AKCT 12.0000000000000 + V1SS -1.08000000000000 V2SS 7.61000000000000 V3SS + 13.7000000000000 + EBR -5.50000000000000 + ITEL + 1 21 0 + 2 14 1 + 3 5 1 + 4 8 1 + 5 4 1 + 6 13 1 + 7 7 1 + 8 5 1 + 9 19 1 + 10 16 1 + 11 10 1 + 12 10 2 + 13 20 1 + 14 12 1 + 15 12 1 + 16 10 1 + 17 18 2 + 18 20 2 + 19 20 2 + 20 20 1 + 21 12 0 + ns= 0 iss: + NZ_START= 2 NZ_END= 21 + IZ_SC= 0 + +Geometry of the virtual chain. + Res d Theta Gamma Dsc Alpha Beta +D 1 0.000 0.000 0.000 0.000 0.000 0.000 +ASN 2 3.800 0.000 0.000 1.684 0.000 0.000 +LEU 3 3.800 0.000 0.000 1.939 0.000 0.000 +TYR 4 3.800 0.000 0.000 2.484 0.000 0.000 +ILE 5 3.800 0.000 0.000 1.776 0.000 0.000 +GLN 6 3.800 0.000 0.000 2.240 0.000 0.000 +TRP 7 3.800 0.000 0.000 2.605 0.000 0.000 +LEU 8 3.800 0.000 0.000 1.939 0.000 0.000 +LYS 9 3.800 0.000 0.000 2.541 0.000 0.000 +ASP 10 3.800 0.000 0.000 1.709 0.000 0.000 +GLY 11 3.800 0.000 0.000 0.000 0.000 0.000 +GLY 12 3.800 0.000 0.000 0.000 0.000 0.000 +PRO 13 3.800 0.000 0.000 1.345 0.000 0.000 +SER 14 3.800 0.000 0.000 1.150 0.000 0.000 +SER 15 3.800 0.000 0.000 1.150 0.000 0.000 +GLY 16 3.800 0.000 0.000 0.000 0.000 0.000 +ARG 17 3.800 0.000 0.000 3.020 0.000 0.000 +PRO 18 3.800 0.000 0.000 1.345 0.000 0.000 +PRO 19 3.800 0.000 0.000 1.345 0.000 0.000 +PRO 20 3.800 0.000 0.000 1.345 0.000 0.000 +SER 21 3.800 0.000 0.000 1.150 0.000 0.000 +D 22 3.800 0.000 0.000 0.000 0.000 0.000 + + +******************************************************************************** + Processor 14: end reading molecular data. +******************************************************************************** + + +CSA calculations calculation. + +Conformations will be energy-minimized. +******************************************************************************** + +Waiting for 0.1602 sec +Waiting for 0.1328 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0156 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec + Finishing minim_jlee - signal 0 from master +Waiting for 0.6094 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.5938 sec +Waiting for 0.0000 sec +Waiting for 0.0195 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.4688 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0234 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.8672 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0977 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 1.0312 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3359 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.5195 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0781 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0078 sec +Waiting for 0.3242 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0117 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.4102 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.4570 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 1.3711 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2812 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.4844 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.4844 sec +Waiting for 0.1328 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2656 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.7148 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3633 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.4453 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3086 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 1.0586 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.1133 sec +Waiting for 0.0547 sec +Waiting for 0.0000 sec +Waiting for 0.5938 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2266 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.3359 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2852 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3438 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2969 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3086 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0078 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.5000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2773 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.3047 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.3789 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.5273 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3281 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.3242 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3281 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3594 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3477 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2578 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3047 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3164 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3555 sec +Waiting for 0.0078 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3789 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2891 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0078 sec +Waiting for 0.0000 sec +Waiting for 0.0117 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.3125 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.5703 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.5039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.5352 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3281 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3594 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3672 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2930 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2539 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3359 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2812 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3438 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.3359 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3320 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3438 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3516 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3633 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.4023 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.7344 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0078 sec +Waiting for 0.0000 sec +Waiting for 0.3008 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.9102 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.1992 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.4258 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3281 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3242 sec +Waiting for 0.0000 sec +Waiting for 0.5469 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.3672 sec +Waiting for 0.0703 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.4570 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.8438 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2969 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.5117 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3750 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3438 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.4414 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.3789 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3477 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.5664 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.2891 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3320 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3672 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3242 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3164 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3203 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3242 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3203 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.4023 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0117 sec +Waiting for 0.3828 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.4219 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2148 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2578 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0156 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3203 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3164 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.2734 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.4062 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3438 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3320 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.4023 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3594 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2734 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.4453 sec + Finishing minim_jlee - signal 0 from master + End of minim, proc 14 time 194.402343750000 +CG processor 14 is finishing work. + Total wall clock time 198.632812500000 sec diff --git a/examples/unres/CSA/GAB/CSA/global/unrestrained/1l2y_csa.out_GB015 b/examples/unres/CSA/GAB/CSA/global/unrestrained/1l2y_csa.out_GB015 new file mode 100644 index 0000000..4cda331 --- /dev/null +++ b/examples/unres/CSA/GAB/CSA/global/unrestrained/1l2y_csa.out_GB015 @@ -0,0 +1,1626 @@ +******************************************************************************** +United-residue force field calculation - parallel job. +******************************************************************************** + MPI: node= 15 iseed= -48955887 + ran_num 0.380037805125089 +RMSDBC = 3.0 +RMSDBC1 = 0.5 +RMSDBC1MAX = 1.5 +DRMS = 0.1 +RMSDBCM = 3.0 +Time limit (min): 960.0 + RESCALE_MODE 0 +Library routine used to diagonalize matrices. + +******************************************************************************** + Options in energy minimization: +******************************************************************************** +MaxMin: 3000 MaxFun: 1000MinMin: 3000 MinFun: 3000 TolF: 1.00000E-02 RTolF: 1.00000E-04 + NCONF_IN 0 + +Energy-term weights (unscaled): + +WSCC= 1.352790 (SC-SC) +WSCP= 1.593040 (SC-p) +WELEC= 0.715340 (p-p electr) +WVDWPP= 0.113710 (p-p VDW) +WBOND= 1.000000 (stretching) +WANG= 1.138730 (bending) +WSCLOC= 0.162580 (SC local) +WTOR= 1.985990 (torsional) +WTORD= 1.570690 (double torsional) +WSTRAIN= 1.000000 (SS bridges & dist. cnstr.) +WEL_LOC= 0.160360 (multi-body 3-rd order) +WCORR4= 0.428870 (multi-body 4th order) +WCORR5= 0.000000 (multi-body 5th order) +WCORR6= 0.000000 (multi-body 6th order) +WSCCOR= 0.000000 (back-scloc correlation) +WTURN3= 1.687220 (turns, 3rd order) +WTURN4= 0.662300 (turns, 4th order) +WTURN6= 0.000000 (turns, 6th order) +WDFA_D= 0.000000 (DFA, distance) +WDFA_T= 0.000000 (DFA, torsional) +WDFA_N= 0.000000 (DFA, number of neighbor) +WDFA_B= 0.000000 (DFA, beta formation) + +Hydrogen-bonding correlation between contact pairs of peptide groups + +Scaling factor of 1,4 SC-p interactions: 0.400 +General scaling factor of SC-p interactions: 1.000 + +Energy-term weights (scaled): + +WSCC= 1.352790 (SC-SC) +WSCP= 1.593040 (SC-p) +WELEC= 0.715340 (p-p electr) +WVDWPP= 0.113710 (p-p VDW) +WBOND= 1.000000 (stretching) +WANG= 1.138730 (bending) +WSCLOC= 0.162580 (SC local) +WTOR= 1.985990 (torsional) +WTORD= 1.570690 (double torsional) +WSTRAIN= 1.000000 (SS bridges & dist. cnstr.) +WEL_LOC= 0.160360 (multi-body 3-rd order) +WCORR4= 0.428870 (multi-body 4th order) +WCORR5= 0.000000 (multi-body 5th order) +WCORR6= 0.000000 (multi-body 6th order) +WSCCOR= 0.000000 (back-scloc correlatkion) +WTURN3= 1.687220 (turns, 3rd order) +WTURN4= 0.662300 (turns, 4th order) +WTURN6= 0.000000 (turns, 6th order) +WDFA_D= 0.000000 (DFA, distance) +WDFA_T= 0.000000 (DFA, torsional) +WDFA_N= 0.000000 (DFA, number of neighbor) +WDFA_B= 0.000000 (DFA, beta formation) + Reference temperature for weights calculation: 300.000000000000 + Parameters of the SS-bond potential: + D0CM 3.78000000000000 AKCM 15.1000000000000 AKTH + 11.0000000000000 AKCT 12.0000000000000 + V1SS -1.08000000000000 V2SS 7.61000000000000 V3SS + 13.7000000000000 + EBR -5.50000000000000 + ITEL + 1 21 0 + 2 14 1 + 3 5 1 + 4 8 1 + 5 4 1 + 6 13 1 + 7 7 1 + 8 5 1 + 9 19 1 + 10 16 1 + 11 10 1 + 12 10 2 + 13 20 1 + 14 12 1 + 15 12 1 + 16 10 1 + 17 18 2 + 18 20 2 + 19 20 2 + 20 20 1 + 21 12 0 + ns= 0 iss: + NZ_START= 2 NZ_END= 21 + IZ_SC= 0 + +Geometry of the virtual chain. + Res d Theta Gamma Dsc Alpha Beta +D 1 0.000 0.000 0.000 0.000 0.000 0.000 +ASN 2 3.800 0.000 0.000 1.684 0.000 0.000 +LEU 3 3.800 0.000 0.000 1.939 0.000 0.000 +TYR 4 3.800 0.000 0.000 2.484 0.000 0.000 +ILE 5 3.800 0.000 0.000 1.776 0.000 0.000 +GLN 6 3.800 0.000 0.000 2.240 0.000 0.000 +TRP 7 3.800 0.000 0.000 2.605 0.000 0.000 +LEU 8 3.800 0.000 0.000 1.939 0.000 0.000 +LYS 9 3.800 0.000 0.000 2.541 0.000 0.000 +ASP 10 3.800 0.000 0.000 1.709 0.000 0.000 +GLY 11 3.800 0.000 0.000 0.000 0.000 0.000 +GLY 12 3.800 0.000 0.000 0.000 0.000 0.000 +PRO 13 3.800 0.000 0.000 1.345 0.000 0.000 +SER 14 3.800 0.000 0.000 1.150 0.000 0.000 +SER 15 3.800 0.000 0.000 1.150 0.000 0.000 +GLY 16 3.800 0.000 0.000 0.000 0.000 0.000 +ARG 17 3.800 0.000 0.000 3.020 0.000 0.000 +PRO 18 3.800 0.000 0.000 1.345 0.000 0.000 +PRO 19 3.800 0.000 0.000 1.345 0.000 0.000 +PRO 20 3.800 0.000 0.000 1.345 0.000 0.000 +SER 21 3.800 0.000 0.000 1.150 0.000 0.000 +D 22 3.800 0.000 0.000 0.000 0.000 0.000 + + +******************************************************************************** + Processor 15: end reading molecular data. +******************************************************************************** + + +CSA calculations calculation. + +Conformations will be energy-minimized. +******************************************************************************** + +Waiting for 0.1484 sec +Waiting for 0.3086 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec + Finishing minim_jlee - signal 0 from master +Waiting for 0.0000 sec +Waiting for 0.0547 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0547 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.4648 sec +Waiting for 0.0000 sec +Waiting for 0.0430 sec +Waiting for 0.0000 sec +Waiting for 0.0117 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.8867 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.1758 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 1.0352 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0312 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2695 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0078 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.5312 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.3203 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.4219 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.4609 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0078 sec +Waiting for 0.0000 sec +Waiting for 1.4570 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2891 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.4883 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.5078 sec +Waiting for 0.0430 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.3164 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.7617 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3438 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.4258 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2539 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0352 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 1.0430 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2969 sec +Waiting for 0.0000 sec +Waiting for 0.0273 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.6172 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3125 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2188 sec +Waiting for 0.0078 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2852 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3359 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.3047 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3594 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.5234 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0039 sec +Waiting for 0.0039 sec +Waiting for 0.3320 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3438 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.4102 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.5000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2891 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2930 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3008 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3359 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2695 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2734 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3633 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3242 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3398 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3984 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2656 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0273 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.2695 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.5859 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.4766 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.5508 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3438 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0078 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3867 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3594 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.4023 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3164 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.3672 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3008 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3203 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3398 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0078 sec +Waiting for 0.0000 sec +Waiting for 0.3711 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3438 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3242 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3398 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.3164 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.7578 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3867 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.9258 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3320 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3945 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3672 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3672 sec +Waiting for 0.0000 sec +Waiting for 0.6289 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.4453 sec +Waiting for 0.0703 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.4531 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.8672 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3125 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.5156 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3789 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0508 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.3164 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.4492 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3008 sec +Waiting for 0.0078 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3398 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.5508 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3008 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3203 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.4570 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2734 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3242 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2930 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2383 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3398 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.4492 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3516 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3672 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3086 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3438 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0508 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3047 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3281 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3477 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.4375 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.3086 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3477 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3984 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3008 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.2969 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.4297 sec + Finishing minim_jlee - signal 0 from master + End of minim, proc 15 time 191.468750000000 +CG processor 15 is finishing work. + Total wall clock time 198.632812500000 sec diff --git a/examples/unres/CSA/GAB/CSA/global/unrestrained/1l2y_csa.out_GB016 b/examples/unres/CSA/GAB/CSA/global/unrestrained/1l2y_csa.out_GB016 new file mode 100644 index 0000000..6e96a73 --- /dev/null +++ b/examples/unres/CSA/GAB/CSA/global/unrestrained/1l2y_csa.out_GB016 @@ -0,0 +1,1596 @@ +******************************************************************************** +United-residue force field calculation - parallel job. +******************************************************************************** + MPI: node= 16 iseed= -52015630 + ran_num 0.653790050977869 +RMSDBC = 3.0 +RMSDBC1 = 0.5 +RMSDBC1MAX = 1.5 +DRMS = 0.1 +RMSDBCM = 3.0 +Time limit (min): 960.0 + RESCALE_MODE 0 +Library routine used to diagonalize matrices. + +******************************************************************************** + Options in energy minimization: +******************************************************************************** +MaxMin: 3000 MaxFun: 1000MinMin: 3000 MinFun: 3000 TolF: 1.00000E-02 RTolF: 1.00000E-04 + NCONF_IN 0 + +Energy-term weights (unscaled): + +WSCC= 1.352790 (SC-SC) +WSCP= 1.593040 (SC-p) +WELEC= 0.715340 (p-p electr) +WVDWPP= 0.113710 (p-p VDW) +WBOND= 1.000000 (stretching) +WANG= 1.138730 (bending) +WSCLOC= 0.162580 (SC local) +WTOR= 1.985990 (torsional) +WTORD= 1.570690 (double torsional) +WSTRAIN= 1.000000 (SS bridges & dist. cnstr.) +WEL_LOC= 0.160360 (multi-body 3-rd order) +WCORR4= 0.428870 (multi-body 4th order) +WCORR5= 0.000000 (multi-body 5th order) +WCORR6= 0.000000 (multi-body 6th order) +WSCCOR= 0.000000 (back-scloc correlation) +WTURN3= 1.687220 (turns, 3rd order) +WTURN4= 0.662300 (turns, 4th order) +WTURN6= 0.000000 (turns, 6th order) +WDFA_D= 0.000000 (DFA, distance) +WDFA_T= 0.000000 (DFA, torsional) +WDFA_N= 0.000000 (DFA, number of neighbor) +WDFA_B= 0.000000 (DFA, beta formation) + +Hydrogen-bonding correlation between contact pairs of peptide groups + +Scaling factor of 1,4 SC-p interactions: 0.400 +General scaling factor of SC-p interactions: 1.000 + +Energy-term weights (scaled): + +WSCC= 1.352790 (SC-SC) +WSCP= 1.593040 (SC-p) +WELEC= 0.715340 (p-p electr) +WVDWPP= 0.113710 (p-p VDW) +WBOND= 1.000000 (stretching) +WANG= 1.138730 (bending) +WSCLOC= 0.162580 (SC local) +WTOR= 1.985990 (torsional) +WTORD= 1.570690 (double torsional) +WSTRAIN= 1.000000 (SS bridges & dist. cnstr.) +WEL_LOC= 0.160360 (multi-body 3-rd order) +WCORR4= 0.428870 (multi-body 4th order) +WCORR5= 0.000000 (multi-body 5th order) +WCORR6= 0.000000 (multi-body 6th order) +WSCCOR= 0.000000 (back-scloc correlatkion) +WTURN3= 1.687220 (turns, 3rd order) +WTURN4= 0.662300 (turns, 4th order) +WTURN6= 0.000000 (turns, 6th order) +WDFA_D= 0.000000 (DFA, distance) +WDFA_T= 0.000000 (DFA, torsional) +WDFA_N= 0.000000 (DFA, number of neighbor) +WDFA_B= 0.000000 (DFA, beta formation) + Reference temperature for weights calculation: 300.000000000000 + Parameters of the SS-bond potential: + D0CM 3.78000000000000 AKCM 15.1000000000000 AKTH + 11.0000000000000 AKCT 12.0000000000000 + V1SS -1.08000000000000 V2SS 7.61000000000000 V3SS + 13.7000000000000 + EBR -5.50000000000000 + ITEL + 1 21 0 + 2 14 1 + 3 5 1 + 4 8 1 + 5 4 1 + 6 13 1 + 7 7 1 + 8 5 1 + 9 19 1 + 10 16 1 + 11 10 1 + 12 10 2 + 13 20 1 + 14 12 1 + 15 12 1 + 16 10 1 + 17 18 2 + 18 20 2 + 19 20 2 + 20 20 1 + 21 12 0 + ns= 0 iss: + NZ_START= 2 NZ_END= 21 + IZ_SC= 0 + +Geometry of the virtual chain. + Res d Theta Gamma Dsc Alpha Beta +D 1 0.000 0.000 0.000 0.000 0.000 0.000 +ASN 2 3.800 0.000 0.000 1.684 0.000 0.000 +LEU 3 3.800 0.000 0.000 1.939 0.000 0.000 +TYR 4 3.800 0.000 0.000 2.484 0.000 0.000 +ILE 5 3.800 0.000 0.000 1.776 0.000 0.000 +GLN 6 3.800 0.000 0.000 2.240 0.000 0.000 +TRP 7 3.800 0.000 0.000 2.605 0.000 0.000 +LEU 8 3.800 0.000 0.000 1.939 0.000 0.000 +LYS 9 3.800 0.000 0.000 2.541 0.000 0.000 +ASP 10 3.800 0.000 0.000 1.709 0.000 0.000 +GLY 11 3.800 0.000 0.000 0.000 0.000 0.000 +GLY 12 3.800 0.000 0.000 0.000 0.000 0.000 +PRO 13 3.800 0.000 0.000 1.345 0.000 0.000 +SER 14 3.800 0.000 0.000 1.150 0.000 0.000 +SER 15 3.800 0.000 0.000 1.150 0.000 0.000 +GLY 16 3.800 0.000 0.000 0.000 0.000 0.000 +ARG 17 3.800 0.000 0.000 3.020 0.000 0.000 +PRO 18 3.800 0.000 0.000 1.345 0.000 0.000 +PRO 19 3.800 0.000 0.000 1.345 0.000 0.000 +PRO 20 3.800 0.000 0.000 1.345 0.000 0.000 +SER 21 3.800 0.000 0.000 1.150 0.000 0.000 +D 22 3.800 0.000 0.000 0.000 0.000 0.000 + + +******************************************************************************** + Processor 16: end reading molecular data. +******************************************************************************** + + +CSA calculations calculation. + +Conformations will be energy-minimized. +******************************************************************************** + +Waiting for 0.1289 sec +Waiting for 0.2852 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec + Finishing minim_jlee - signal 0 from master +Waiting for 0.6016 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.5898 sec +Waiting for 0.1133 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.5000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.8555 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.1250 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.9609 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0391 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2539 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.5078 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0586 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3047 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.4336 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.4609 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 1.4336 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2969 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0195 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.4922 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.5078 sec +Waiting for 0.0430 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2344 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.7500 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.3555 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.4102 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2773 sec +Waiting for 0.0039 sec +Waiting for 0.0156 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 1.0312 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2461 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.6250 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2969 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0430 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3320 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3359 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.1953 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0430 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3086 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3242 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0195 sec +Waiting for 0.0195 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.4648 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3555 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3477 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3438 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.5156 sec +Waiting for 0.0117 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3320 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3281 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0078 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0078 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3125 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.3398 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.3516 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2969 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.3398 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.3320 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3398 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3750 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0039 sec +Waiting for 0.2031 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3047 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.5703 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.4609 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.5312 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3281 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0078 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3711 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3242 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3672 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.2500 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3477 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0039 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3008 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3164 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0078 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3672 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.3750 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3359 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3477 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3633 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3789 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.7617 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3633 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.8867 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0078 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2930 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.4023 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3711 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3516 sec +Waiting for 0.0000 sec +Waiting for 0.5234 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.4102 sec +Waiting for 0.0977 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.4609 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.8906 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3047 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.5000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3711 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0508 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2969 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.4219 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3477 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3086 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.4922 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2617 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3047 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.4531 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2773 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2852 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2969 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3281 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3242 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.4648 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0586 sec +Waiting for 0.3594 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.4219 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3281 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3164 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0781 sec +Waiting for 0.0039 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3047 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2695 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3672 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0469 sec +Waiting for 0.4219 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3320 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2617 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3789 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3516 sec +Waiting for 0.0117 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2539 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.4609 sec + Finishing minim_jlee - signal 0 from master + End of minim, proc 16 time 194.406250000000 +CG processor 16 is finishing work. + Total wall clock time 198.636718750000 sec diff --git a/examples/unres/CSA/GAB/CSA/global/unrestrained/1l2y_csa.out_GB017 b/examples/unres/CSA/GAB/CSA/global/unrestrained/1l2y_csa.out_GB017 new file mode 100644 index 0000000..0853454 --- /dev/null +++ b/examples/unres/CSA/GAB/CSA/global/unrestrained/1l2y_csa.out_GB017 @@ -0,0 +1,1643 @@ +******************************************************************************** +United-residue force field calculation - parallel job. +******************************************************************************** + MPI: node= 17 iseed= -55075373 + ran_num 0.927542296830648 +RMSDBC = 3.0 +RMSDBC1 = 0.5 +RMSDBC1MAX = 1.5 +DRMS = 0.1 +RMSDBCM = 3.0 +Time limit (min): 960.0 + RESCALE_MODE 0 +Library routine used to diagonalize matrices. + +******************************************************************************** + Options in energy minimization: +******************************************************************************** +MaxMin: 3000 MaxFun: 1000MinMin: 3000 MinFun: 3000 TolF: 1.00000E-02 RTolF: 1.00000E-04 + NCONF_IN 0 + +Energy-term weights (unscaled): + +WSCC= 1.352790 (SC-SC) +WSCP= 1.593040 (SC-p) +WELEC= 0.715340 (p-p electr) +WVDWPP= 0.113710 (p-p VDW) +WBOND= 1.000000 (stretching) +WANG= 1.138730 (bending) +WSCLOC= 0.162580 (SC local) +WTOR= 1.985990 (torsional) +WTORD= 1.570690 (double torsional) +WSTRAIN= 1.000000 (SS bridges & dist. cnstr.) +WEL_LOC= 0.160360 (multi-body 3-rd order) +WCORR4= 0.428870 (multi-body 4th order) +WCORR5= 0.000000 (multi-body 5th order) +WCORR6= 0.000000 (multi-body 6th order) +WSCCOR= 0.000000 (back-scloc correlation) +WTURN3= 1.687220 (turns, 3rd order) +WTURN4= 0.662300 (turns, 4th order) +WTURN6= 0.000000 (turns, 6th order) +WDFA_D= 0.000000 (DFA, distance) +WDFA_T= 0.000000 (DFA, torsional) +WDFA_N= 0.000000 (DFA, number of neighbor) +WDFA_B= 0.000000 (DFA, beta formation) + +Hydrogen-bonding correlation between contact pairs of peptide groups + +Scaling factor of 1,4 SC-p interactions: 0.400 +General scaling factor of SC-p interactions: 1.000 + +Energy-term weights (scaled): + +WSCC= 1.352790 (SC-SC) +WSCP= 1.593040 (SC-p) +WELEC= 0.715340 (p-p electr) +WVDWPP= 0.113710 (p-p VDW) +WBOND= 1.000000 (stretching) +WANG= 1.138730 (bending) +WSCLOC= 0.162580 (SC local) +WTOR= 1.985990 (torsional) +WTORD= 1.570690 (double torsional) +WSTRAIN= 1.000000 (SS bridges & dist. cnstr.) +WEL_LOC= 0.160360 (multi-body 3-rd order) +WCORR4= 0.428870 (multi-body 4th order) +WCORR5= 0.000000 (multi-body 5th order) +WCORR6= 0.000000 (multi-body 6th order) +WSCCOR= 0.000000 (back-scloc correlatkion) +WTURN3= 1.687220 (turns, 3rd order) +WTURN4= 0.662300 (turns, 4th order) +WTURN6= 0.000000 (turns, 6th order) +WDFA_D= 0.000000 (DFA, distance) +WDFA_T= 0.000000 (DFA, torsional) +WDFA_N= 0.000000 (DFA, number of neighbor) +WDFA_B= 0.000000 (DFA, beta formation) + Reference temperature for weights calculation: 300.000000000000 + Parameters of the SS-bond potential: + D0CM 3.78000000000000 AKCM 15.1000000000000 AKTH + 11.0000000000000 AKCT 12.0000000000000 + V1SS -1.08000000000000 V2SS 7.61000000000000 V3SS + 13.7000000000000 + EBR -5.50000000000000 + ITEL + 1 21 0 + 2 14 1 + 3 5 1 + 4 8 1 + 5 4 1 + 6 13 1 + 7 7 1 + 8 5 1 + 9 19 1 + 10 16 1 + 11 10 1 + 12 10 2 + 13 20 1 + 14 12 1 + 15 12 1 + 16 10 1 + 17 18 2 + 18 20 2 + 19 20 2 + 20 20 1 + 21 12 0 + ns= 0 iss: + NZ_START= 2 NZ_END= 21 + IZ_SC= 0 + +Geometry of the virtual chain. + Res d Theta Gamma Dsc Alpha Beta +D 1 0.000 0.000 0.000 0.000 0.000 0.000 +ASN 2 3.800 0.000 0.000 1.684 0.000 0.000 +LEU 3 3.800 0.000 0.000 1.939 0.000 0.000 +TYR 4 3.800 0.000 0.000 2.484 0.000 0.000 +ILE 5 3.800 0.000 0.000 1.776 0.000 0.000 +GLN 6 3.800 0.000 0.000 2.240 0.000 0.000 +TRP 7 3.800 0.000 0.000 2.605 0.000 0.000 +LEU 8 3.800 0.000 0.000 1.939 0.000 0.000 +LYS 9 3.800 0.000 0.000 2.541 0.000 0.000 +ASP 10 3.800 0.000 0.000 1.709 0.000 0.000 +GLY 11 3.800 0.000 0.000 0.000 0.000 0.000 +GLY 12 3.800 0.000 0.000 0.000 0.000 0.000 +PRO 13 3.800 0.000 0.000 1.345 0.000 0.000 +SER 14 3.800 0.000 0.000 1.150 0.000 0.000 +SER 15 3.800 0.000 0.000 1.150 0.000 0.000 +GLY 16 3.800 0.000 0.000 0.000 0.000 0.000 +ARG 17 3.800 0.000 0.000 3.020 0.000 0.000 +PRO 18 3.800 0.000 0.000 1.345 0.000 0.000 +PRO 19 3.800 0.000 0.000 1.345 0.000 0.000 +PRO 20 3.800 0.000 0.000 1.345 0.000 0.000 +SER 21 3.800 0.000 0.000 1.150 0.000 0.000 +D 22 3.800 0.000 0.000 0.000 0.000 0.000 + + +******************************************************************************** + Processor 17: end reading molecular data. +******************************************************************************** + + +CSA calculations calculation. + +Conformations will be energy-minimized. +******************************************************************************** + +Waiting for 0.1289 sec +Waiting for 0.2617 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec + Finishing minim_jlee - signal 0 from master +Waiting for 0.5977 sec +Waiting for 0.0000 sec +Waiting for 0.0430 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.6367 sec +Waiting for 0.0312 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0391 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.5156 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0273 sec +Waiting for 0.0352 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.8438 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0898 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 1.0273 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0508 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0078 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3281 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.5234 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0312 sec +Waiting for 0.0000 sec 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+Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3008 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.4453 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3555 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3398 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.5820 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.2461 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3398 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3672 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.1562 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3086 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3164 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3281 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3359 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.4766 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3516 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3008 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.3242 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3359 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0820 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3125 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2695 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2617 sec +Waiting for 0.0039 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.4570 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2383 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3047 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0078 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2930 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3555 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3086 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3672 sec + Finishing minim_jlee - signal 0 from master + End of minim, proc 17 time 194.406250000000 +CG processor 17 is finishing work. + Total wall clock time 198.636718750000 sec diff --git a/examples/unres/CSA/GAB/CSA/global/unrestrained/1l2y_csa.out_GB018 b/examples/unres/CSA/GAB/CSA/global/unrestrained/1l2y_csa.out_GB018 new file mode 100644 index 0000000..f08edbe --- /dev/null +++ b/examples/unres/CSA/GAB/CSA/global/unrestrained/1l2y_csa.out_GB018 @@ -0,0 +1,1646 @@ +******************************************************************************** +United-residue force field calculation - parallel job. +******************************************************************************** + MPI: node= 18 iseed= -58135116 + ran_num 0.201294542683428 +RMSDBC = 3.0 +RMSDBC1 = 0.5 +RMSDBC1MAX = 1.5 +DRMS = 0.1 +RMSDBCM = 3.0 +Time limit (min): 960.0 + RESCALE_MODE 0 +Library routine used to diagonalize matrices. + +******************************************************************************** + Options in energy minimization: +******************************************************************************** +MaxMin: 3000 MaxFun: 1000MinMin: 3000 MinFun: 3000 TolF: 1.00000E-02 RTolF: 1.00000E-04 + NCONF_IN 0 + +Energy-term weights (unscaled): + +WSCC= 1.352790 (SC-SC) +WSCP= 1.593040 (SC-p) +WELEC= 0.715340 (p-p electr) +WVDWPP= 0.113710 (p-p VDW) +WBOND= 1.000000 (stretching) +WANG= 1.138730 (bending) +WSCLOC= 0.162580 (SC local) +WTOR= 1.985990 (torsional) +WTORD= 1.570690 (double torsional) +WSTRAIN= 1.000000 (SS bridges & dist. cnstr.) +WEL_LOC= 0.160360 (multi-body 3-rd order) +WCORR4= 0.428870 (multi-body 4th order) +WCORR5= 0.000000 (multi-body 5th order) +WCORR6= 0.000000 (multi-body 6th order) +WSCCOR= 0.000000 (back-scloc correlation) +WTURN3= 1.687220 (turns, 3rd order) +WTURN4= 0.662300 (turns, 4th order) +WTURN6= 0.000000 (turns, 6th order) +WDFA_D= 0.000000 (DFA, distance) +WDFA_T= 0.000000 (DFA, torsional) +WDFA_N= 0.000000 (DFA, number of neighbor) +WDFA_B= 0.000000 (DFA, beta formation) + +Hydrogen-bonding correlation between contact pairs of peptide groups + +Scaling factor of 1,4 SC-p interactions: 0.400 +General scaling factor of SC-p interactions: 1.000 + +Energy-term weights (scaled): + +WSCC= 1.352790 (SC-SC) +WSCP= 1.593040 (SC-p) +WELEC= 0.715340 (p-p electr) +WVDWPP= 0.113710 (p-p VDW) +WBOND= 1.000000 (stretching) +WANG= 1.138730 (bending) +WSCLOC= 0.162580 (SC local) +WTOR= 1.985990 (torsional) +WTORD= 1.570690 (double torsional) +WSTRAIN= 1.000000 (SS bridges & dist. cnstr.) +WEL_LOC= 0.160360 (multi-body 3-rd order) +WCORR4= 0.428870 (multi-body 4th order) +WCORR5= 0.000000 (multi-body 5th order) +WCORR6= 0.000000 (multi-body 6th order) +WSCCOR= 0.000000 (back-scloc correlatkion) +WTURN3= 1.687220 (turns, 3rd order) +WTURN4= 0.662300 (turns, 4th order) +WTURN6= 0.000000 (turns, 6th order) +WDFA_D= 0.000000 (DFA, distance) +WDFA_T= 0.000000 (DFA, torsional) +WDFA_N= 0.000000 (DFA, number of neighbor) +WDFA_B= 0.000000 (DFA, beta formation) + Reference temperature for weights calculation: 300.000000000000 + Parameters of the SS-bond potential: + D0CM 3.78000000000000 AKCM 15.1000000000000 AKTH + 11.0000000000000 AKCT 12.0000000000000 + V1SS -1.08000000000000 V2SS 7.61000000000000 V3SS + 13.7000000000000 + EBR -5.50000000000000 + ITEL + 1 21 0 + 2 14 1 + 3 5 1 + 4 8 1 + 5 4 1 + 6 13 1 + 7 7 1 + 8 5 1 + 9 19 1 + 10 16 1 + 11 10 1 + 12 10 2 + 13 20 1 + 14 12 1 + 15 12 1 + 16 10 1 + 17 18 2 + 18 20 2 + 19 20 2 + 20 20 1 + 21 12 0 + ns= 0 iss: + NZ_START= 2 NZ_END= 21 + IZ_SC= 0 + +Geometry of the virtual chain. + Res d Theta Gamma Dsc Alpha Beta +D 1 0.000 0.000 0.000 0.000 0.000 0.000 +ASN 2 3.800 0.000 0.000 1.684 0.000 0.000 +LEU 3 3.800 0.000 0.000 1.939 0.000 0.000 +TYR 4 3.800 0.000 0.000 2.484 0.000 0.000 +ILE 5 3.800 0.000 0.000 1.776 0.000 0.000 +GLN 6 3.800 0.000 0.000 2.240 0.000 0.000 +TRP 7 3.800 0.000 0.000 2.605 0.000 0.000 +LEU 8 3.800 0.000 0.000 1.939 0.000 0.000 +LYS 9 3.800 0.000 0.000 2.541 0.000 0.000 +ASP 10 3.800 0.000 0.000 1.709 0.000 0.000 +GLY 11 3.800 0.000 0.000 0.000 0.000 0.000 +GLY 12 3.800 0.000 0.000 0.000 0.000 0.000 +PRO 13 3.800 0.000 0.000 1.345 0.000 0.000 +SER 14 3.800 0.000 0.000 1.150 0.000 0.000 +SER 15 3.800 0.000 0.000 1.150 0.000 0.000 +GLY 16 3.800 0.000 0.000 0.000 0.000 0.000 +ARG 17 3.800 0.000 0.000 3.020 0.000 0.000 +PRO 18 3.800 0.000 0.000 1.345 0.000 0.000 +PRO 19 3.800 0.000 0.000 1.345 0.000 0.000 +PRO 20 3.800 0.000 0.000 1.345 0.000 0.000 +SER 21 3.800 0.000 0.000 1.150 0.000 0.000 +D 22 3.800 0.000 0.000 0.000 0.000 0.000 + + +******************************************************************************** + Processor 18: end reading molecular data. +******************************************************************************** + + +CSA calculations calculation. + +Conformations will be energy-minimized. +******************************************************************************** + +Waiting for 0.1289 sec +Waiting for 0.3281 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec + Finishing minim_jlee - signal 0 from master +Waiting for 0.5977 sec +Waiting for 0.0000 sec +Waiting for 0.0430 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0078 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.4961 sec +Waiting for 0.1328 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0469 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.4922 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0195 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.8516 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.1211 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 1.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3086 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.5352 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0195 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.3359 sec +Waiting for 0.0430 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.4297 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.4727 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 1.4336 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.2695 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.4766 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0078 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.4688 sec +Waiting for 0.0195 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2969 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec 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0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.4648 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3359 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3047 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec 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0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3516 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.4375 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2539 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3164 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.3047 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3281 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.2188 sec +Waiting for 0.0078 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.4648 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0391 sec +Waiting for 0.3828 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3711 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3359 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2773 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0586 sec +Waiting for 0.0000 sec +Waiting for 0.0078 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3086 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3516 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3281 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.4766 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3125 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3438 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3984 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3242 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2656 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.4570 sec + Finishing minim_jlee - signal 0 from master + End of minim, proc 18 time 194.406250000000 +CG processor 18 is finishing work. + Total wall clock time 198.636718750000 sec diff --git a/examples/unres/CSA/GAB/CSA/global/unrestrained/1l2y_csa.out_GB019 b/examples/unres/CSA/GAB/CSA/global/unrestrained/1l2y_csa.out_GB019 new file mode 100644 index 0000000..56710c6 --- /dev/null +++ b/examples/unres/CSA/GAB/CSA/global/unrestrained/1l2y_csa.out_GB019 @@ -0,0 +1,1648 @@ +******************************************************************************** +United-residue force field calculation - parallel job. +******************************************************************************** + MPI: node= 19 iseed= -61194859 + ran_num 0.475046788536207 +RMSDBC = 3.0 +RMSDBC1 = 0.5 +RMSDBC1MAX = 1.5 +DRMS = 0.1 +RMSDBCM = 3.0 +Time limit (min): 960.0 + RESCALE_MODE 0 +Library routine used to diagonalize matrices. + +******************************************************************************** + Options in energy minimization: +******************************************************************************** +MaxMin: 3000 MaxFun: 1000MinMin: 3000 MinFun: 3000 TolF: 1.00000E-02 RTolF: 1.00000E-04 + NCONF_IN 0 + +Energy-term weights (unscaled): + +WSCC= 1.352790 (SC-SC) +WSCP= 1.593040 (SC-p) +WELEC= 0.715340 (p-p electr) +WVDWPP= 0.113710 (p-p VDW) +WBOND= 1.000000 (stretching) +WANG= 1.138730 (bending) +WSCLOC= 0.162580 (SC local) +WTOR= 1.985990 (torsional) +WTORD= 1.570690 (double torsional) +WSTRAIN= 1.000000 (SS bridges & dist. cnstr.) +WEL_LOC= 0.160360 (multi-body 3-rd order) +WCORR4= 0.428870 (multi-body 4th order) +WCORR5= 0.000000 (multi-body 5th order) +WCORR6= 0.000000 (multi-body 6th order) +WSCCOR= 0.000000 (back-scloc correlation) +WTURN3= 1.687220 (turns, 3rd order) +WTURN4= 0.662300 (turns, 4th order) +WTURN6= 0.000000 (turns, 6th order) +WDFA_D= 0.000000 (DFA, distance) +WDFA_T= 0.000000 (DFA, torsional) +WDFA_N= 0.000000 (DFA, number of neighbor) +WDFA_B= 0.000000 (DFA, beta formation) + +Hydrogen-bonding correlation between contact pairs of peptide groups + +Scaling factor of 1,4 SC-p interactions: 0.400 +General scaling factor of SC-p interactions: 1.000 + +Energy-term weights (scaled): + +WSCC= 1.352790 (SC-SC) +WSCP= 1.593040 (SC-p) +WELEC= 0.715340 (p-p electr) +WVDWPP= 0.113710 (p-p VDW) +WBOND= 1.000000 (stretching) +WANG= 1.138730 (bending) +WSCLOC= 0.162580 (SC local) +WTOR= 1.985990 (torsional) +WTORD= 1.570690 (double torsional) +WSTRAIN= 1.000000 (SS bridges & dist. cnstr.) +WEL_LOC= 0.160360 (multi-body 3-rd order) +WCORR4= 0.428870 (multi-body 4th order) +WCORR5= 0.000000 (multi-body 5th order) +WCORR6= 0.000000 (multi-body 6th order) +WSCCOR= 0.000000 (back-scloc correlatkion) +WTURN3= 1.687220 (turns, 3rd order) +WTURN4= 0.662300 (turns, 4th order) +WTURN6= 0.000000 (turns, 6th order) +WDFA_D= 0.000000 (DFA, distance) +WDFA_T= 0.000000 (DFA, torsional) +WDFA_N= 0.000000 (DFA, number of neighbor) +WDFA_B= 0.000000 (DFA, beta formation) + Reference temperature for weights calculation: 300.000000000000 + Parameters of the SS-bond potential: + D0CM 3.78000000000000 AKCM 15.1000000000000 AKTH + 11.0000000000000 AKCT 12.0000000000000 + V1SS -1.08000000000000 V2SS 7.61000000000000 V3SS + 13.7000000000000 + EBR -5.50000000000000 + ITEL + 1 21 0 + 2 14 1 + 3 5 1 + 4 8 1 + 5 4 1 + 6 13 1 + 7 7 1 + 8 5 1 + 9 19 1 + 10 16 1 + 11 10 1 + 12 10 2 + 13 20 1 + 14 12 1 + 15 12 1 + 16 10 1 + 17 18 2 + 18 20 2 + 19 20 2 + 20 20 1 + 21 12 0 + ns= 0 iss: + NZ_START= 2 NZ_END= 21 + IZ_SC= 0 + +Geometry of the virtual chain. + Res d Theta Gamma Dsc Alpha Beta +D 1 0.000 0.000 0.000 0.000 0.000 0.000 +ASN 2 3.800 0.000 0.000 1.684 0.000 0.000 +LEU 3 3.800 0.000 0.000 1.939 0.000 0.000 +TYR 4 3.800 0.000 0.000 2.484 0.000 0.000 +ILE 5 3.800 0.000 0.000 1.776 0.000 0.000 +GLN 6 3.800 0.000 0.000 2.240 0.000 0.000 +TRP 7 3.800 0.000 0.000 2.605 0.000 0.000 +LEU 8 3.800 0.000 0.000 1.939 0.000 0.000 +LYS 9 3.800 0.000 0.000 2.541 0.000 0.000 +ASP 10 3.800 0.000 0.000 1.709 0.000 0.000 +GLY 11 3.800 0.000 0.000 0.000 0.000 0.000 +GLY 12 3.800 0.000 0.000 0.000 0.000 0.000 +PRO 13 3.800 0.000 0.000 1.345 0.000 0.000 +SER 14 3.800 0.000 0.000 1.150 0.000 0.000 +SER 15 3.800 0.000 0.000 1.150 0.000 0.000 +GLY 16 3.800 0.000 0.000 0.000 0.000 0.000 +ARG 17 3.800 0.000 0.000 3.020 0.000 0.000 +PRO 18 3.800 0.000 0.000 1.345 0.000 0.000 +PRO 19 3.800 0.000 0.000 1.345 0.000 0.000 +PRO 20 3.800 0.000 0.000 1.345 0.000 0.000 +SER 21 3.800 0.000 0.000 1.150 0.000 0.000 +D 22 3.800 0.000 0.000 0.000 0.000 0.000 + + +******************************************************************************** + Processor 19: end reading molecular data. +******************************************************************************** + + +CSA calculations calculation. + +Conformations will be energy-minimized. +******************************************************************************** + +Waiting for 0.1367 sec +Waiting for 0.2852 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec + Finishing minim_jlee - signal 0 from master +Waiting for 0.6094 sec +Waiting for 0.0469 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.5352 sec +Waiting for 0.0000 sec +Waiting for 0.1133 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.4805 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.8672 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0977 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 1.0391 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0391 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.3047 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0078 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.5430 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0391 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2656 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0273 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0586 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.4336 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.4531 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 1.4297 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2930 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.4766 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.5117 sec +Waiting for 0.0000 sec +Waiting for 0.0586 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3359 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.7227 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3359 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.4180 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3086 sec +Waiting for 0.0039 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 1.0469 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.2500 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0195 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.5352 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2930 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0078 sec 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0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3516 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.4570 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec 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0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3047 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3477 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.4531 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.2812 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.4336 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0078 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3359 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3242 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0664 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3047 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2969 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3750 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.4688 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3086 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3281 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3867 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3281 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3242 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3164 sec + Finishing minim_jlee - signal 0 from master + End of minim, proc 19 time 194.402343750000 +CG processor 19 is finishing work. + Total wall clock time 198.632812500000 sec diff --git a/examples/unres/CSA/GAB/CSA/global/unrestrained/1l2y_csa.out_GB020 b/examples/unres/CSA/GAB/CSA/global/unrestrained/1l2y_csa.out_GB020 new file mode 100644 index 0000000..8ee0e65 --- /dev/null +++ b/examples/unres/CSA/GAB/CSA/global/unrestrained/1l2y_csa.out_GB020 @@ -0,0 +1,1605 @@ +******************************************************************************** +United-residue force field calculation - parallel job. +******************************************************************************** + MPI: node= 20 iseed= -64254602 + ran_num 0.748799034388987 +RMSDBC = 3.0 +RMSDBC1 = 0.5 +RMSDBC1MAX = 1.5 +DRMS = 0.1 +RMSDBCM = 3.0 +Time limit (min): 960.0 + RESCALE_MODE 0 +Library routine used to diagonalize matrices. + +******************************************************************************** + Options in energy minimization: +******************************************************************************** +MaxMin: 3000 MaxFun: 1000MinMin: 3000 MinFun: 3000 TolF: 1.00000E-02 RTolF: 1.00000E-04 + NCONF_IN 0 + +Energy-term weights (unscaled): + +WSCC= 1.352790 (SC-SC) +WSCP= 1.593040 (SC-p) +WELEC= 0.715340 (p-p electr) +WVDWPP= 0.113710 (p-p VDW) +WBOND= 1.000000 (stretching) +WANG= 1.138730 (bending) +WSCLOC= 0.162580 (SC local) +WTOR= 1.985990 (torsional) +WTORD= 1.570690 (double torsional) +WSTRAIN= 1.000000 (SS bridges & dist. cnstr.) +WEL_LOC= 0.160360 (multi-body 3-rd order) +WCORR4= 0.428870 (multi-body 4th order) +WCORR5= 0.000000 (multi-body 5th order) +WCORR6= 0.000000 (multi-body 6th order) +WSCCOR= 0.000000 (back-scloc correlation) +WTURN3= 1.687220 (turns, 3rd order) +WTURN4= 0.662300 (turns, 4th order) +WTURN6= 0.000000 (turns, 6th order) +WDFA_D= 0.000000 (DFA, distance) +WDFA_T= 0.000000 (DFA, torsional) +WDFA_N= 0.000000 (DFA, number of neighbor) +WDFA_B= 0.000000 (DFA, beta formation) + +Hydrogen-bonding correlation between contact pairs of peptide groups + +Scaling factor of 1,4 SC-p interactions: 0.400 +General scaling factor of SC-p interactions: 1.000 + +Energy-term weights (scaled): + +WSCC= 1.352790 (SC-SC) +WSCP= 1.593040 (SC-p) +WELEC= 0.715340 (p-p electr) +WVDWPP= 0.113710 (p-p VDW) +WBOND= 1.000000 (stretching) +WANG= 1.138730 (bending) +WSCLOC= 0.162580 (SC local) +WTOR= 1.985990 (torsional) +WTORD= 1.570690 (double torsional) +WSTRAIN= 1.000000 (SS bridges & dist. cnstr.) +WEL_LOC= 0.160360 (multi-body 3-rd order) +WCORR4= 0.428870 (multi-body 4th order) +WCORR5= 0.000000 (multi-body 5th order) +WCORR6= 0.000000 (multi-body 6th order) +WSCCOR= 0.000000 (back-scloc correlatkion) +WTURN3= 1.687220 (turns, 3rd order) +WTURN4= 0.662300 (turns, 4th order) +WTURN6= 0.000000 (turns, 6th order) +WDFA_D= 0.000000 (DFA, distance) +WDFA_T= 0.000000 (DFA, torsional) +WDFA_N= 0.000000 (DFA, number of neighbor) +WDFA_B= 0.000000 (DFA, beta formation) + Reference temperature for weights calculation: 300.000000000000 + Parameters of the SS-bond potential: + D0CM 3.78000000000000 AKCM 15.1000000000000 AKTH + 11.0000000000000 AKCT 12.0000000000000 + V1SS -1.08000000000000 V2SS 7.61000000000000 V3SS + 13.7000000000000 + EBR -5.50000000000000 + ITEL + 1 21 0 + 2 14 1 + 3 5 1 + 4 8 1 + 5 4 1 + 6 13 1 + 7 7 1 + 8 5 1 + 9 19 1 + 10 16 1 + 11 10 1 + 12 10 2 + 13 20 1 + 14 12 1 + 15 12 1 + 16 10 1 + 17 18 2 + 18 20 2 + 19 20 2 + 20 20 1 + 21 12 0 + ns= 0 iss: + NZ_START= 2 NZ_END= 21 + IZ_SC= 0 + +Geometry of the virtual chain. + Res d Theta Gamma Dsc Alpha Beta +D 1 0.000 0.000 0.000 0.000 0.000 0.000 +ASN 2 3.800 0.000 0.000 1.684 0.000 0.000 +LEU 3 3.800 0.000 0.000 1.939 0.000 0.000 +TYR 4 3.800 0.000 0.000 2.484 0.000 0.000 +ILE 5 3.800 0.000 0.000 1.776 0.000 0.000 +GLN 6 3.800 0.000 0.000 2.240 0.000 0.000 +TRP 7 3.800 0.000 0.000 2.605 0.000 0.000 +LEU 8 3.800 0.000 0.000 1.939 0.000 0.000 +LYS 9 3.800 0.000 0.000 2.541 0.000 0.000 +ASP 10 3.800 0.000 0.000 1.709 0.000 0.000 +GLY 11 3.800 0.000 0.000 0.000 0.000 0.000 +GLY 12 3.800 0.000 0.000 0.000 0.000 0.000 +PRO 13 3.800 0.000 0.000 1.345 0.000 0.000 +SER 14 3.800 0.000 0.000 1.150 0.000 0.000 +SER 15 3.800 0.000 0.000 1.150 0.000 0.000 +GLY 16 3.800 0.000 0.000 0.000 0.000 0.000 +ARG 17 3.800 0.000 0.000 3.020 0.000 0.000 +PRO 18 3.800 0.000 0.000 1.345 0.000 0.000 +PRO 19 3.800 0.000 0.000 1.345 0.000 0.000 +PRO 20 3.800 0.000 0.000 1.345 0.000 0.000 +SER 21 3.800 0.000 0.000 1.150 0.000 0.000 +D 22 3.800 0.000 0.000 0.000 0.000 0.000 + + +******************************************************************************** + Processor 20: end reading molecular data. +******************************************************************************** + + +CSA calculations calculation. + +Conformations will be energy-minimized. +******************************************************************************** + +Waiting for 0.1211 sec +Waiting for 0.1641 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec + Finishing minim_jlee - signal 0 from master +Waiting for 0.5977 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.6289 sec +Waiting for 0.0000 sec +Waiting for 0.1250 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.5195 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.8125 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.1250 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 1.0469 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0352 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3086 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.5312 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0117 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3008 sec +Waiting for 0.0000 sec +Waiting for 0.0078 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3633 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.4766 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 1.4375 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2188 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.5000 sec +Waiting for 0.0000 sec +Waiting for 0.0273 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.4844 sec +Waiting for 0.0703 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.1992 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.7461 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3008 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.4219 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.2930 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 1.0664 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3008 sec +Waiting for 0.0000 sec +Waiting for 0.0117 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.6406 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3008 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0352 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.3203 sec +Waiting for 0.0000 sec +Waiting for 0.0078 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec 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0.4336 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3125 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2734 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0312 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3242 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0078 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3359 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3633 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.4805 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2500 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3281 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3359 sec +Waiting for 0.0117 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3164 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3008 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3359 sec + Finishing minim_jlee - signal 0 from master + End of minim, proc 20 time 194.394531250000 +CG processor 20 is finishing work. + Total wall clock time 198.621093750000 sec diff --git a/examples/unres/CSA/GAB/CSA/global/unrestrained/1l2y_csa.out_GB021 b/examples/unres/CSA/GAB/CSA/global/unrestrained/1l2y_csa.out_GB021 new file mode 100644 index 0000000..240379f --- /dev/null +++ b/examples/unres/CSA/GAB/CSA/global/unrestrained/1l2y_csa.out_GB021 @@ -0,0 +1,1625 @@ +******************************************************************************** +United-residue force field calculation - parallel job. +******************************************************************************** + MPI: node= 21 iseed= -67314345 + ran_num 2.255128024176600E-002 +RMSDBC = 3.0 +RMSDBC1 = 0.5 +RMSDBC1MAX = 1.5 +DRMS = 0.1 +RMSDBCM = 3.0 +Time limit (min): 960.0 + RESCALE_MODE 0 +Library routine used to diagonalize matrices. + +******************************************************************************** + Options in energy minimization: +******************************************************************************** +MaxMin: 3000 MaxFun: 1000MinMin: 3000 MinFun: 3000 TolF: 1.00000E-02 RTolF: 1.00000E-04 + NCONF_IN 0 + +Energy-term weights (unscaled): + +WSCC= 1.352790 (SC-SC) +WSCP= 1.593040 (SC-p) +WELEC= 0.715340 (p-p electr) +WVDWPP= 0.113710 (p-p VDW) +WBOND= 1.000000 (stretching) +WANG= 1.138730 (bending) +WSCLOC= 0.162580 (SC local) +WTOR= 1.985990 (torsional) +WTORD= 1.570690 (double torsional) +WSTRAIN= 1.000000 (SS bridges & dist. cnstr.) +WEL_LOC= 0.160360 (multi-body 3-rd order) +WCORR4= 0.428870 (multi-body 4th order) +WCORR5= 0.000000 (multi-body 5th order) +WCORR6= 0.000000 (multi-body 6th order) +WSCCOR= 0.000000 (back-scloc correlation) +WTURN3= 1.687220 (turns, 3rd order) +WTURN4= 0.662300 (turns, 4th order) +WTURN6= 0.000000 (turns, 6th order) +WDFA_D= 0.000000 (DFA, distance) +WDFA_T= 0.000000 (DFA, torsional) +WDFA_N= 0.000000 (DFA, number of neighbor) +WDFA_B= 0.000000 (DFA, beta formation) + +Hydrogen-bonding correlation between contact pairs of peptide groups + +Scaling factor of 1,4 SC-p interactions: 0.400 +General scaling factor of SC-p interactions: 1.000 + +Energy-term weights (scaled): + +WSCC= 1.352790 (SC-SC) +WSCP= 1.593040 (SC-p) +WELEC= 0.715340 (p-p electr) +WVDWPP= 0.113710 (p-p VDW) +WBOND= 1.000000 (stretching) +WANG= 1.138730 (bending) +WSCLOC= 0.162580 (SC local) +WTOR= 1.985990 (torsional) +WTORD= 1.570690 (double torsional) +WSTRAIN= 1.000000 (SS bridges & dist. cnstr.) +WEL_LOC= 0.160360 (multi-body 3-rd order) +WCORR4= 0.428870 (multi-body 4th order) +WCORR5= 0.000000 (multi-body 5th order) +WCORR6= 0.000000 (multi-body 6th order) +WSCCOR= 0.000000 (back-scloc correlatkion) +WTURN3= 1.687220 (turns, 3rd order) +WTURN4= 0.662300 (turns, 4th order) +WTURN6= 0.000000 (turns, 6th order) +WDFA_D= 0.000000 (DFA, distance) +WDFA_T= 0.000000 (DFA, torsional) +WDFA_N= 0.000000 (DFA, number of neighbor) +WDFA_B= 0.000000 (DFA, beta formation) + Reference temperature for weights calculation: 300.000000000000 + Parameters of the SS-bond potential: + D0CM 3.78000000000000 AKCM 15.1000000000000 AKTH + 11.0000000000000 AKCT 12.0000000000000 + V1SS -1.08000000000000 V2SS 7.61000000000000 V3SS + 13.7000000000000 + EBR -5.50000000000000 + ITEL + 1 21 0 + 2 14 1 + 3 5 1 + 4 8 1 + 5 4 1 + 6 13 1 + 7 7 1 + 8 5 1 + 9 19 1 + 10 16 1 + 11 10 1 + 12 10 2 + 13 20 1 + 14 12 1 + 15 12 1 + 16 10 1 + 17 18 2 + 18 20 2 + 19 20 2 + 20 20 1 + 21 12 0 + ns= 0 iss: + NZ_START= 2 NZ_END= 21 + IZ_SC= 0 + +Geometry of the virtual chain. + Res d Theta Gamma Dsc Alpha Beta +D 1 0.000 0.000 0.000 0.000 0.000 0.000 +ASN 2 3.800 0.000 0.000 1.684 0.000 0.000 +LEU 3 3.800 0.000 0.000 1.939 0.000 0.000 +TYR 4 3.800 0.000 0.000 2.484 0.000 0.000 +ILE 5 3.800 0.000 0.000 1.776 0.000 0.000 +GLN 6 3.800 0.000 0.000 2.240 0.000 0.000 +TRP 7 3.800 0.000 0.000 2.605 0.000 0.000 +LEU 8 3.800 0.000 0.000 1.939 0.000 0.000 +LYS 9 3.800 0.000 0.000 2.541 0.000 0.000 +ASP 10 3.800 0.000 0.000 1.709 0.000 0.000 +GLY 11 3.800 0.000 0.000 0.000 0.000 0.000 +GLY 12 3.800 0.000 0.000 0.000 0.000 0.000 +PRO 13 3.800 0.000 0.000 1.345 0.000 0.000 +SER 14 3.800 0.000 0.000 1.150 0.000 0.000 +SER 15 3.800 0.000 0.000 1.150 0.000 0.000 +GLY 16 3.800 0.000 0.000 0.000 0.000 0.000 +ARG 17 3.800 0.000 0.000 3.020 0.000 0.000 +PRO 18 3.800 0.000 0.000 1.345 0.000 0.000 +PRO 19 3.800 0.000 0.000 1.345 0.000 0.000 +PRO 20 3.800 0.000 0.000 1.345 0.000 0.000 +SER 21 3.800 0.000 0.000 1.150 0.000 0.000 +D 22 3.800 0.000 0.000 0.000 0.000 0.000 + + +******************************************************************************** + Processor 21: end reading molecular data. +******************************************************************************** + + +CSA calculations calculation. + +Conformations will be energy-minimized. +******************************************************************************** + +Waiting for 0.1211 sec +Waiting for 0.3125 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec + Finishing minim_jlee - signal 0 from master +Waiting for 0.5977 sec +Waiting for 0.0312 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.6133 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.5039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0117 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.8750 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.1211 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 1.0352 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0547 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3164 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.5195 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0156 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3203 sec +Waiting for 0.0000 sec +Waiting for 0.0117 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.4062 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0547 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.4570 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 1.4180 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3047 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0156 sec +Waiting for 0.0039 sec +Waiting for 0.0078 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.5078 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.4844 sec +Waiting for 0.1328 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3203 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.6953 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2930 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.4219 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3242 sec +Waiting for 0.0000 sec +Waiting for 0.0312 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 1.0469 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2812 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.6055 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.2539 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2383 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3359 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3398 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3125 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3242 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0078 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.4570 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3242 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3633 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3750 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.5312 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3438 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.3125 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3398 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2969 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3281 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 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0.0000 sec +Waiting for 0.3438 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0078 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.4648 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2539 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3359 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.3828 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3320 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3203 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.4570 sec + Finishing minim_jlee - signal 0 from master + End of minim, proc 21 time 194.390625000000 +CG processor 21 is finishing work. + Total wall clock time 198.617187500000 sec diff --git a/examples/unres/CSA/GAB/CSA/global/unrestrained/1l2y_csa.out_GB022 b/examples/unres/CSA/GAB/CSA/global/unrestrained/1l2y_csa.out_GB022 new file mode 100644 index 0000000..042fcfa --- /dev/null +++ b/examples/unres/CSA/GAB/CSA/global/unrestrained/1l2y_csa.out_GB022 @@ -0,0 +1,1634 @@ +******************************************************************************** +United-residue force field calculation - parallel job. +******************************************************************************** + MPI: node= 22 iseed= -70374088 + ran_num 0.296303526094545 +RMSDBC = 3.0 +RMSDBC1 = 0.5 +RMSDBC1MAX = 1.5 +DRMS = 0.1 +RMSDBCM = 3.0 +Time limit (min): 960.0 + RESCALE_MODE 0 +Library routine used to diagonalize matrices. + +******************************************************************************** + Options in energy minimization: +******************************************************************************** +MaxMin: 3000 MaxFun: 1000MinMin: 3000 MinFun: 3000 TolF: 1.00000E-02 RTolF: 1.00000E-04 + NCONF_IN 0 + +Energy-term weights (unscaled): + +WSCC= 1.352790 (SC-SC) +WSCP= 1.593040 (SC-p) +WELEC= 0.715340 (p-p electr) +WVDWPP= 0.113710 (p-p VDW) +WBOND= 1.000000 (stretching) +WANG= 1.138730 (bending) +WSCLOC= 0.162580 (SC local) +WTOR= 1.985990 (torsional) +WTORD= 1.570690 (double torsional) +WSTRAIN= 1.000000 (SS bridges & dist. cnstr.) +WEL_LOC= 0.160360 (multi-body 3-rd order) +WCORR4= 0.428870 (multi-body 4th order) +WCORR5= 0.000000 (multi-body 5th order) +WCORR6= 0.000000 (multi-body 6th order) +WSCCOR= 0.000000 (back-scloc correlation) +WTURN3= 1.687220 (turns, 3rd order) +WTURN4= 0.662300 (turns, 4th order) +WTURN6= 0.000000 (turns, 6th order) +WDFA_D= 0.000000 (DFA, distance) +WDFA_T= 0.000000 (DFA, torsional) +WDFA_N= 0.000000 (DFA, number of neighbor) +WDFA_B= 0.000000 (DFA, beta formation) + +Hydrogen-bonding correlation between contact pairs of peptide groups + +Scaling factor of 1,4 SC-p interactions: 0.400 +General scaling factor of SC-p interactions: 1.000 + +Energy-term weights (scaled): + +WSCC= 1.352790 (SC-SC) +WSCP= 1.593040 (SC-p) +WELEC= 0.715340 (p-p electr) +WVDWPP= 0.113710 (p-p VDW) +WBOND= 1.000000 (stretching) +WANG= 1.138730 (bending) +WSCLOC= 0.162580 (SC local) +WTOR= 1.985990 (torsional) +WTORD= 1.570690 (double torsional) +WSTRAIN= 1.000000 (SS bridges & dist. cnstr.) +WEL_LOC= 0.160360 (multi-body 3-rd order) +WCORR4= 0.428870 (multi-body 4th order) +WCORR5= 0.000000 (multi-body 5th order) +WCORR6= 0.000000 (multi-body 6th order) +WSCCOR= 0.000000 (back-scloc correlatkion) +WTURN3= 1.687220 (turns, 3rd order) +WTURN4= 0.662300 (turns, 4th order) +WTURN6= 0.000000 (turns, 6th order) +WDFA_D= 0.000000 (DFA, distance) +WDFA_T= 0.000000 (DFA, torsional) +WDFA_N= 0.000000 (DFA, number of neighbor) +WDFA_B= 0.000000 (DFA, beta formation) + Reference temperature for weights calculation: 300.000000000000 + Parameters of the SS-bond potential: + D0CM 3.78000000000000 AKCM 15.1000000000000 AKTH + 11.0000000000000 AKCT 12.0000000000000 + V1SS -1.08000000000000 V2SS 7.61000000000000 V3SS + 13.7000000000000 + EBR -5.50000000000000 + ITEL + 1 21 0 + 2 14 1 + 3 5 1 + 4 8 1 + 5 4 1 + 6 13 1 + 7 7 1 + 8 5 1 + 9 19 1 + 10 16 1 + 11 10 1 + 12 10 2 + 13 20 1 + 14 12 1 + 15 12 1 + 16 10 1 + 17 18 2 + 18 20 2 + 19 20 2 + 20 20 1 + 21 12 0 + ns= 0 iss: + NZ_START= 2 NZ_END= 21 + IZ_SC= 0 + +Geometry of the virtual chain. + Res d Theta Gamma Dsc Alpha Beta +D 1 0.000 0.000 0.000 0.000 0.000 0.000 +ASN 2 3.800 0.000 0.000 1.684 0.000 0.000 +LEU 3 3.800 0.000 0.000 1.939 0.000 0.000 +TYR 4 3.800 0.000 0.000 2.484 0.000 0.000 +ILE 5 3.800 0.000 0.000 1.776 0.000 0.000 +GLN 6 3.800 0.000 0.000 2.240 0.000 0.000 +TRP 7 3.800 0.000 0.000 2.605 0.000 0.000 +LEU 8 3.800 0.000 0.000 1.939 0.000 0.000 +LYS 9 3.800 0.000 0.000 2.541 0.000 0.000 +ASP 10 3.800 0.000 0.000 1.709 0.000 0.000 +GLY 11 3.800 0.000 0.000 0.000 0.000 0.000 +GLY 12 3.800 0.000 0.000 0.000 0.000 0.000 +PRO 13 3.800 0.000 0.000 1.345 0.000 0.000 +SER 14 3.800 0.000 0.000 1.150 0.000 0.000 +SER 15 3.800 0.000 0.000 1.150 0.000 0.000 +GLY 16 3.800 0.000 0.000 0.000 0.000 0.000 +ARG 17 3.800 0.000 0.000 3.020 0.000 0.000 +PRO 18 3.800 0.000 0.000 1.345 0.000 0.000 +PRO 19 3.800 0.000 0.000 1.345 0.000 0.000 +PRO 20 3.800 0.000 0.000 1.345 0.000 0.000 +SER 21 3.800 0.000 0.000 1.150 0.000 0.000 +D 22 3.800 0.000 0.000 0.000 0.000 0.000 + + +******************************************************************************** + Processor 22: end reading molecular data. +******************************************************************************** + + +CSA calculations calculation. + +Conformations will be energy-minimized. +******************************************************************************** + +Waiting for 0.1211 sec +Waiting for 0.2578 sec +Waiting for 0.0156 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0430 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec + Finishing minim_jlee - signal 0 from master +Waiting for 0.5977 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0312 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.5781 sec +Waiting for 0.0547 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.4609 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.8516 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.1016 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 1.0195 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3359 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.4570 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0742 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.3008 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0234 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0312 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.4062 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0195 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.4570 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 1.4531 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3008 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.4805 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.5039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3320 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.7305 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3633 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.4453 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3242 sec +Waiting for 0.0000 sec +Waiting for 0.0547 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 1.0469 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.1641 sec +Waiting for 0.0000 sec +Waiting for 0.0195 sec +Waiting for 0.0000 sec +Waiting for 0.5781 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3164 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3242 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0078 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3086 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2930 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0117 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2930 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3555 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.4922 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3203 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3320 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3789 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.5195 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3164 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3125 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3320 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2539 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3555 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2930 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3633 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3398 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3320 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3672 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2188 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2422 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.5469 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.4570 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.5195 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3438 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3516 sec +Waiting for 0.0000 sec 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0.0000 sec +Waiting for 0.2930 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3594 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3164 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2656 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2812 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3711 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.3477 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3398 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3633 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec 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0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.8672 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3047 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3594 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec 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0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.4414 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.8828 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3242 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec 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0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.4570 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3672 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3281 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec 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0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3477 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3477 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.3398 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.1953 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2969 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3047 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0078 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3203 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.4570 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0391 sec +Waiting for 0.3867 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.4219 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3398 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3125 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0508 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.3164 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3281 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3633 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3672 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3359 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2930 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3672 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3242 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2773 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.4375 sec + Finishing minim_jlee - signal 0 from master + End of minim, proc 22 time 194.390625000000 +CG processor 22 is finishing work. + Total wall clock time 198.617187500000 sec diff --git a/examples/unres/CSA/GAB/CSA/global/unrestrained/1l2y_csa.out_GB023 b/examples/unres/CSA/GAB/CSA/global/unrestrained/1l2y_csa.out_GB023 new file mode 100644 index 0000000..51a5160 --- /dev/null +++ b/examples/unres/CSA/GAB/CSA/global/unrestrained/1l2y_csa.out_GB023 @@ -0,0 +1,1587 @@ +******************************************************************************** +United-residue force field calculation - parallel job. +******************************************************************************** + MPI: node= 23 iseed= -73433831 + ran_num 0.570055771947325 +RMSDBC = 3.0 +RMSDBC1 = 0.5 +RMSDBC1MAX = 1.5 +DRMS = 0.1 +RMSDBCM = 3.0 +Time limit (min): 960.0 + RESCALE_MODE 0 +Library routine used to diagonalize matrices. + +******************************************************************************** + Options in energy minimization: +******************************************************************************** +MaxMin: 3000 MaxFun: 1000MinMin: 3000 MinFun: 3000 TolF: 1.00000E-02 RTolF: 1.00000E-04 + NCONF_IN 0 + +Energy-term weights (unscaled): + +WSCC= 1.352790 (SC-SC) +WSCP= 1.593040 (SC-p) +WELEC= 0.715340 (p-p electr) +WVDWPP= 0.113710 (p-p VDW) +WBOND= 1.000000 (stretching) +WANG= 1.138730 (bending) +WSCLOC= 0.162580 (SC local) +WTOR= 1.985990 (torsional) +WTORD= 1.570690 (double torsional) +WSTRAIN= 1.000000 (SS bridges & dist. cnstr.) +WEL_LOC= 0.160360 (multi-body 3-rd order) +WCORR4= 0.428870 (multi-body 4th order) +WCORR5= 0.000000 (multi-body 5th order) +WCORR6= 0.000000 (multi-body 6th order) +WSCCOR= 0.000000 (back-scloc correlation) +WTURN3= 1.687220 (turns, 3rd order) +WTURN4= 0.662300 (turns, 4th order) +WTURN6= 0.000000 (turns, 6th order) +WDFA_D= 0.000000 (DFA, distance) +WDFA_T= 0.000000 (DFA, torsional) +WDFA_N= 0.000000 (DFA, number of neighbor) +WDFA_B= 0.000000 (DFA, beta formation) + +Hydrogen-bonding correlation between contact pairs of peptide groups + +Scaling factor of 1,4 SC-p interactions: 0.400 +General scaling factor of SC-p interactions: 1.000 + +Energy-term weights (scaled): + +WSCC= 1.352790 (SC-SC) +WSCP= 1.593040 (SC-p) +WELEC= 0.715340 (p-p electr) +WVDWPP= 0.113710 (p-p VDW) +WBOND= 1.000000 (stretching) +WANG= 1.138730 (bending) +WSCLOC= 0.162580 (SC local) +WTOR= 1.985990 (torsional) +WTORD= 1.570690 (double torsional) +WSTRAIN= 1.000000 (SS bridges & dist. cnstr.) +WEL_LOC= 0.160360 (multi-body 3-rd order) +WCORR4= 0.428870 (multi-body 4th order) +WCORR5= 0.000000 (multi-body 5th order) +WCORR6= 0.000000 (multi-body 6th order) +WSCCOR= 0.000000 (back-scloc correlatkion) +WTURN3= 1.687220 (turns, 3rd order) +WTURN4= 0.662300 (turns, 4th order) +WTURN6= 0.000000 (turns, 6th order) +WDFA_D= 0.000000 (DFA, distance) +WDFA_T= 0.000000 (DFA, torsional) +WDFA_N= 0.000000 (DFA, number of neighbor) +WDFA_B= 0.000000 (DFA, beta formation) + Reference temperature for weights calculation: 300.000000000000 + Parameters of the SS-bond potential: + D0CM 3.78000000000000 AKCM 15.1000000000000 AKTH + 11.0000000000000 AKCT 12.0000000000000 + V1SS -1.08000000000000 V2SS 7.61000000000000 V3SS + 13.7000000000000 + EBR -5.50000000000000 + ITEL + 1 21 0 + 2 14 1 + 3 5 1 + 4 8 1 + 5 4 1 + 6 13 1 + 7 7 1 + 8 5 1 + 9 19 1 + 10 16 1 + 11 10 1 + 12 10 2 + 13 20 1 + 14 12 1 + 15 12 1 + 16 10 1 + 17 18 2 + 18 20 2 + 19 20 2 + 20 20 1 + 21 12 0 + ns= 0 iss: + NZ_START= 2 NZ_END= 21 + IZ_SC= 0 + +Geometry of the virtual chain. + Res d Theta Gamma Dsc Alpha Beta +D 1 0.000 0.000 0.000 0.000 0.000 0.000 +ASN 2 3.800 0.000 0.000 1.684 0.000 0.000 +LEU 3 3.800 0.000 0.000 1.939 0.000 0.000 +TYR 4 3.800 0.000 0.000 2.484 0.000 0.000 +ILE 5 3.800 0.000 0.000 1.776 0.000 0.000 +GLN 6 3.800 0.000 0.000 2.240 0.000 0.000 +TRP 7 3.800 0.000 0.000 2.605 0.000 0.000 +LEU 8 3.800 0.000 0.000 1.939 0.000 0.000 +LYS 9 3.800 0.000 0.000 2.541 0.000 0.000 +ASP 10 3.800 0.000 0.000 1.709 0.000 0.000 +GLY 11 3.800 0.000 0.000 0.000 0.000 0.000 +GLY 12 3.800 0.000 0.000 0.000 0.000 0.000 +PRO 13 3.800 0.000 0.000 1.345 0.000 0.000 +SER 14 3.800 0.000 0.000 1.150 0.000 0.000 +SER 15 3.800 0.000 0.000 1.150 0.000 0.000 +GLY 16 3.800 0.000 0.000 0.000 0.000 0.000 +ARG 17 3.800 0.000 0.000 3.020 0.000 0.000 +PRO 18 3.800 0.000 0.000 1.345 0.000 0.000 +PRO 19 3.800 0.000 0.000 1.345 0.000 0.000 +PRO 20 3.800 0.000 0.000 1.345 0.000 0.000 +SER 21 3.800 0.000 0.000 1.150 0.000 0.000 +D 22 3.800 0.000 0.000 0.000 0.000 0.000 + + +******************************************************************************** + Processor 23: end reading molecular data. +******************************************************************************** + + +CSA calculations calculation. + +Conformations will be energy-minimized. +******************************************************************************** + +Waiting for 0.1250 sec +Waiting for 0.2422 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec + Finishing minim_jlee - signal 0 from master +Waiting for 0.0000 sec +Waiting for 0.1523 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0508 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.5391 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.8281 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0703 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.9766 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0547 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.2656 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.4766 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0703 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.3398 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.4258 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0273 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.4961 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 1.4609 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2656 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.4961 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.4805 sec +Waiting for 0.0430 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.2695 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.7539 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3633 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.4062 sec +Waiting for 0.0078 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3281 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 1.0625 sec +Waiting for 0.0039 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2930 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.5898 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3086 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0078 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3438 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3398 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3281 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0117 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.3008 sec +Waiting for 0.0078 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2930 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.5078 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3398 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3359 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3438 sec +Waiting for 0.0156 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.5195 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0078 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3516 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2148 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3008 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2773 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3203 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2930 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3555 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2695 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.3555 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3945 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2500 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0391 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3242 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.5703 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.4219 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.5586 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3594 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3555 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3828 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.4102 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2852 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0078 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3594 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3164 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2891 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3320 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3164 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3789 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3555 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3438 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0078 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2969 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.7500 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3203 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.9062 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2891 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3477 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3438 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3320 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.6055 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.4688 sec +Waiting for 0.0000 sec +Waiting for 0.0781 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.4492 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.8555 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3008 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.5039 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3828 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0234 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3398 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.4570 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.3867 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0078 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2969 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.5469 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.2852 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3516 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3867 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3320 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3008 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3320 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3281 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2305 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.4648 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.4023 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.4141 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3164 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.3320 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0195 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3203 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.3164 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.3555 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3516 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3203 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3242 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3906 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3438 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3047 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3828 sec + Finishing minim_jlee - signal 0 from master + End of minim, proc 23 time 191.359375000000 +CG processor 23 is finishing work. + Total wall clock time 198.628906250000 sec diff --git a/examples/unres/CSA/GAB/CSA/global/unrestrained/1l2y_csa.out_GB024 b/examples/unres/CSA/GAB/CSA/global/unrestrained/1l2y_csa.out_GB024 new file mode 100644 index 0000000..67b374e --- /dev/null +++ b/examples/unres/CSA/GAB/CSA/global/unrestrained/1l2y_csa.out_GB024 @@ -0,0 +1,1163 @@ +******************************************************************************** +United-residue force field calculation - parallel job. +******************************************************************************** + MPI: node= 24 iseed= -76493574 + ran_num 0.843808017800105 +RMSDBC = 3.0 +RMSDBC1 = 0.5 +RMSDBC1MAX = 1.5 +DRMS = 0.1 +RMSDBCM = 3.0 +Time limit (min): 960.0 + RESCALE_MODE 0 +Library routine used to diagonalize matrices. + +******************************************************************************** + Options in energy minimization: +******************************************************************************** +MaxMin: 3000 MaxFun: 1000MinMin: 3000 MinFun: 3000 TolF: 1.00000E-02 RTolF: 1.00000E-04 + NCONF_IN 0 + +Energy-term weights (unscaled): + +WSCC= 1.352790 (SC-SC) +WSCP= 1.593040 (SC-p) +WELEC= 0.715340 (p-p electr) +WVDWPP= 0.113710 (p-p VDW) +WBOND= 1.000000 (stretching) +WANG= 1.138730 (bending) +WSCLOC= 0.162580 (SC local) +WTOR= 1.985990 (torsional) +WTORD= 1.570690 (double torsional) +WSTRAIN= 1.000000 (SS bridges & dist. cnstr.) +WEL_LOC= 0.160360 (multi-body 3-rd order) +WCORR4= 0.428870 (multi-body 4th order) +WCORR5= 0.000000 (multi-body 5th order) +WCORR6= 0.000000 (multi-body 6th order) +WSCCOR= 0.000000 (back-scloc correlation) +WTURN3= 1.687220 (turns, 3rd order) +WTURN4= 0.662300 (turns, 4th order) +WTURN6= 0.000000 (turns, 6th order) +WDFA_D= 0.000000 (DFA, distance) +WDFA_T= 0.000000 (DFA, torsional) +WDFA_N= 0.000000 (DFA, number of neighbor) +WDFA_B= 0.000000 (DFA, beta formation) + +Hydrogen-bonding correlation between contact pairs of peptide groups + +Scaling factor of 1,4 SC-p interactions: 0.400 +General scaling factor of SC-p interactions: 1.000 + +Energy-term weights (scaled): + +WSCC= 1.352790 (SC-SC) +WSCP= 1.593040 (SC-p) +WELEC= 0.715340 (p-p electr) +WVDWPP= 0.113710 (p-p VDW) +WBOND= 1.000000 (stretching) +WANG= 1.138730 (bending) +WSCLOC= 0.162580 (SC local) +WTOR= 1.985990 (torsional) +WTORD= 1.570690 (double torsional) +WSTRAIN= 1.000000 (SS bridges & dist. cnstr.) +WEL_LOC= 0.160360 (multi-body 3-rd order) +WCORR4= 0.428870 (multi-body 4th order) +WCORR5= 0.000000 (multi-body 5th order) +WCORR6= 0.000000 (multi-body 6th order) +WSCCOR= 0.000000 (back-scloc correlatkion) +WTURN3= 1.687220 (turns, 3rd order) +WTURN4= 0.662300 (turns, 4th order) +WTURN6= 0.000000 (turns, 6th order) +WDFA_D= 0.000000 (DFA, distance) +WDFA_T= 0.000000 (DFA, torsional) +WDFA_N= 0.000000 (DFA, number of neighbor) +WDFA_B= 0.000000 (DFA, beta formation) + Reference temperature for weights calculation: 300.000000000000 + Parameters of the SS-bond potential: + D0CM 3.78000000000000 AKCM 15.1000000000000 AKTH + 11.0000000000000 AKCT 12.0000000000000 + V1SS -1.08000000000000 V2SS 7.61000000000000 V3SS + 13.7000000000000 + EBR -5.50000000000000 + ITEL + 1 21 0 + 2 14 1 + 3 5 1 + 4 8 1 + 5 4 1 + 6 13 1 + 7 7 1 + 8 5 1 + 9 19 1 + 10 16 1 + 11 10 1 + 12 10 2 + 13 20 1 + 14 12 1 + 15 12 1 + 16 10 1 + 17 18 2 + 18 20 2 + 19 20 2 + 20 20 1 + 21 12 0 + ns= 0 iss: + NZ_START= 2 NZ_END= 21 + IZ_SC= 0 + +Geometry of the virtual chain. + Res d Theta Gamma Dsc Alpha Beta +D 1 0.000 0.000 0.000 0.000 0.000 0.000 +ASN 2 3.800 0.000 0.000 1.684 0.000 0.000 +LEU 3 3.800 0.000 0.000 1.939 0.000 0.000 +TYR 4 3.800 0.000 0.000 2.484 0.000 0.000 +ILE 5 3.800 0.000 0.000 1.776 0.000 0.000 +GLN 6 3.800 0.000 0.000 2.240 0.000 0.000 +TRP 7 3.800 0.000 0.000 2.605 0.000 0.000 +LEU 8 3.800 0.000 0.000 1.939 0.000 0.000 +LYS 9 3.800 0.000 0.000 2.541 0.000 0.000 +ASP 10 3.800 0.000 0.000 1.709 0.000 0.000 +GLY 11 3.800 0.000 0.000 0.000 0.000 0.000 +GLY 12 3.800 0.000 0.000 0.000 0.000 0.000 +PRO 13 3.800 0.000 0.000 1.345 0.000 0.000 +SER 14 3.800 0.000 0.000 1.150 0.000 0.000 +SER 15 3.800 0.000 0.000 1.150 0.000 0.000 +GLY 16 3.800 0.000 0.000 0.000 0.000 0.000 +ARG 17 3.800 0.000 0.000 3.020 0.000 0.000 +PRO 18 3.800 0.000 0.000 1.345 0.000 0.000 +PRO 19 3.800 0.000 0.000 1.345 0.000 0.000 +PRO 20 3.800 0.000 0.000 1.345 0.000 0.000 +SER 21 3.800 0.000 0.000 1.150 0.000 0.000 +D 22 3.800 0.000 0.000 0.000 0.000 0.000 + + +******************************************************************************** + Processor 24: end reading molecular data. +******************************************************************************** + + +CSA calculations calculation. + +Conformations will be energy-minimized. +******************************************************************************** + +Waiting for 0.1367 sec +Waiting for 0.1172 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec + Finishing minim_jlee - signal 0 from master +Waiting for 0.6016 sec +Waiting for 0.0195 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.5781 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0039 sec +Waiting for 0.5039 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.8633 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.1562 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.9648 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0078 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.3125 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.4922 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0039 sec +Waiting for 0.2773 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.4023 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0508 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.4883 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 1.3164 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2617 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0117 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.4609 sec +Waiting for 0.0508 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3477 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2422 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.6992 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3477 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2500 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2734 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 1.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0352 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.6289 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2656 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0430 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3164 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3008 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3477 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2422 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3398 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.4766 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3438 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3438 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3242 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.3789 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2852 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3359 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3086 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3125 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2070 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2852 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2148 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3398 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3516 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3516 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.2656 sec +Waiting for 0.0000 sec +Waiting for 0.0156 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2656 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.4492 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.4688 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.5117 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3359 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.2812 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3555 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0078 sec +Waiting for 0.0039 sec +Waiting for 0.3984 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2422 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3633 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2227 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3008 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2422 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3359 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3789 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.3516 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2578 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.3477 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.7227 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3477 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.9336 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3008 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.4102 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3320 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.1797 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.5820 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.4648 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.4414 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.8477 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2266 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.4648 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3281 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3164 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3945 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3555 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3047 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.5312 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3008 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0078 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3516 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3984 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3203 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3047 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2812 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.1484 sec +Waiting for 0.0000 sec +Waiting for 0.0078 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0781 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.4688 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2383 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.4102 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2812 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.2539 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3164 sec +Waiting for 0.0156 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3086 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2656 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.4336 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3281 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3320 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3984 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2969 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2852 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.4414 sec + Finishing minim_jlee - signal 0 from master + End of minim, proc 24 time 194.417968750000 +CG processor 24 is finishing work. + Total wall clock time 198.628906250000 sec diff --git a/examples/unres/CSA/GAB/CSA/global/unrestrained/1l2y_csa.out_GB025 b/examples/unres/CSA/GAB/CSA/global/unrestrained/1l2y_csa.out_GB025 new file mode 100644 index 0000000..11f4e68 --- /dev/null +++ b/examples/unres/CSA/GAB/CSA/global/unrestrained/1l2y_csa.out_GB025 @@ -0,0 +1,1166 @@ +******************************************************************************** +United-residue force field calculation - parallel job. +******************************************************************************** + MPI: node= 25 iseed= -79553317 + ran_num 0.117560263652884 +RMSDBC = 3.0 +RMSDBC1 = 0.5 +RMSDBC1MAX = 1.5 +DRMS = 0.1 +RMSDBCM = 3.0 +Time limit (min): 960.0 + RESCALE_MODE 0 +Library routine used to diagonalize matrices. + +******************************************************************************** + Options in energy minimization: +******************************************************************************** +MaxMin: 3000 MaxFun: 1000MinMin: 3000 MinFun: 3000 TolF: 1.00000E-02 RTolF: 1.00000E-04 + NCONF_IN 0 + +Energy-term weights (unscaled): + +WSCC= 1.352790 (SC-SC) +WSCP= 1.593040 (SC-p) +WELEC= 0.715340 (p-p electr) +WVDWPP= 0.113710 (p-p VDW) +WBOND= 1.000000 (stretching) +WANG= 1.138730 (bending) +WSCLOC= 0.162580 (SC local) +WTOR= 1.985990 (torsional) +WTORD= 1.570690 (double torsional) +WSTRAIN= 1.000000 (SS bridges & dist. cnstr.) +WEL_LOC= 0.160360 (multi-body 3-rd order) +WCORR4= 0.428870 (multi-body 4th order) +WCORR5= 0.000000 (multi-body 5th order) +WCORR6= 0.000000 (multi-body 6th order) +WSCCOR= 0.000000 (back-scloc correlation) +WTURN3= 1.687220 (turns, 3rd order) +WTURN4= 0.662300 (turns, 4th order) +WTURN6= 0.000000 (turns, 6th order) +WDFA_D= 0.000000 (DFA, distance) +WDFA_T= 0.000000 (DFA, torsional) +WDFA_N= 0.000000 (DFA, number of neighbor) +WDFA_B= 0.000000 (DFA, beta formation) + +Hydrogen-bonding correlation between contact pairs of peptide groups + +Scaling factor of 1,4 SC-p interactions: 0.400 +General scaling factor of SC-p interactions: 1.000 + +Energy-term weights (scaled): + +WSCC= 1.352790 (SC-SC) +WSCP= 1.593040 (SC-p) +WELEC= 0.715340 (p-p electr) +WVDWPP= 0.113710 (p-p VDW) +WBOND= 1.000000 (stretching) +WANG= 1.138730 (bending) +WSCLOC= 0.162580 (SC local) +WTOR= 1.985990 (torsional) +WTORD= 1.570690 (double torsional) +WSTRAIN= 1.000000 (SS bridges & dist. cnstr.) +WEL_LOC= 0.160360 (multi-body 3-rd order) +WCORR4= 0.428870 (multi-body 4th order) +WCORR5= 0.000000 (multi-body 5th order) +WCORR6= 0.000000 (multi-body 6th order) +WSCCOR= 0.000000 (back-scloc correlatkion) +WTURN3= 1.687220 (turns, 3rd order) +WTURN4= 0.662300 (turns, 4th order) +WTURN6= 0.000000 (turns, 6th order) +WDFA_D= 0.000000 (DFA, distance) +WDFA_T= 0.000000 (DFA, torsional) +WDFA_N= 0.000000 (DFA, number of neighbor) +WDFA_B= 0.000000 (DFA, beta formation) + Reference temperature for weights calculation: 300.000000000000 + Parameters of the SS-bond potential: + D0CM 3.78000000000000 AKCM 15.1000000000000 AKTH + 11.0000000000000 AKCT 12.0000000000000 + V1SS -1.08000000000000 V2SS 7.61000000000000 V3SS + 13.7000000000000 + EBR -5.50000000000000 + ITEL + 1 21 0 + 2 14 1 + 3 5 1 + 4 8 1 + 5 4 1 + 6 13 1 + 7 7 1 + 8 5 1 + 9 19 1 + 10 16 1 + 11 10 1 + 12 10 2 + 13 20 1 + 14 12 1 + 15 12 1 + 16 10 1 + 17 18 2 + 18 20 2 + 19 20 2 + 20 20 1 + 21 12 0 + ns= 0 iss: + NZ_START= 2 NZ_END= 21 + IZ_SC= 0 + +Geometry of the virtual chain. + Res d Theta Gamma Dsc Alpha Beta +D 1 0.000 0.000 0.000 0.000 0.000 0.000 +ASN 2 3.800 0.000 0.000 1.684 0.000 0.000 +LEU 3 3.800 0.000 0.000 1.939 0.000 0.000 +TYR 4 3.800 0.000 0.000 2.484 0.000 0.000 +ILE 5 3.800 0.000 0.000 1.776 0.000 0.000 +GLN 6 3.800 0.000 0.000 2.240 0.000 0.000 +TRP 7 3.800 0.000 0.000 2.605 0.000 0.000 +LEU 8 3.800 0.000 0.000 1.939 0.000 0.000 +LYS 9 3.800 0.000 0.000 2.541 0.000 0.000 +ASP 10 3.800 0.000 0.000 1.709 0.000 0.000 +GLY 11 3.800 0.000 0.000 0.000 0.000 0.000 +GLY 12 3.800 0.000 0.000 0.000 0.000 0.000 +PRO 13 3.800 0.000 0.000 1.345 0.000 0.000 +SER 14 3.800 0.000 0.000 1.150 0.000 0.000 +SER 15 3.800 0.000 0.000 1.150 0.000 0.000 +GLY 16 3.800 0.000 0.000 0.000 0.000 0.000 +ARG 17 3.800 0.000 0.000 3.020 0.000 0.000 +PRO 18 3.800 0.000 0.000 1.345 0.000 0.000 +PRO 19 3.800 0.000 0.000 1.345 0.000 0.000 +PRO 20 3.800 0.000 0.000 1.345 0.000 0.000 +SER 21 3.800 0.000 0.000 1.150 0.000 0.000 +D 22 3.800 0.000 0.000 0.000 0.000 0.000 + + +******************************************************************************** + Processor 25: end reading molecular data. +******************************************************************************** + + +CSA calculations calculation. + +Conformations will be energy-minimized. +******************************************************************************** + +Waiting for 0.1445 sec +Waiting for 0.0586 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec + Finishing minim_jlee - signal 0 from master +Waiting for 0.6094 sec +Waiting for 0.0352 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.6055 sec +Waiting for 0.0898 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.4727 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.8125 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0820 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.9961 sec +Waiting for 0.0000 sec +Waiting for 0.0547 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2305 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.4609 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0703 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.2773 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0352 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3438 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3945 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 1.4297 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2773 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3867 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.4023 sec +Waiting for 0.0703 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.2969 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.7344 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3281 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2930 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2617 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 1.0430 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.1836 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0195 sec +Waiting for 0.0000 sec +Waiting for 0.6094 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.2070 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2539 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2852 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3203 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3164 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3398 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.5078 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.1992 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3164 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3828 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.4883 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3008 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3086 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.1406 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2969 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3047 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2383 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.2539 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3281 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.1328 sec +Waiting for 0.0078 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3672 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2344 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2656 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.5938 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.4727 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.5469 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3008 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3789 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3594 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2383 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2695 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.3711 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.3047 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2930 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3477 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3555 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3789 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.2070 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.1992 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3594 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.6445 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3789 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.9023 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2305 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3828 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.3594 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2812 sec +Waiting for 0.0000 sec +Waiting for 0.5820 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.4414 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3867 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.8672 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3125 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.4531 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3789 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2812 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2422 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3047 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.1992 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.5391 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.1797 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3164 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3477 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3125 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3164 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2305 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2500 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.1914 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.4844 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.4062 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.4023 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2656 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2930 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0469 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2227 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2891 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.1953 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.4609 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2891 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2969 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3711 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3594 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2500 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.4180 sec + Finishing minim_jlee - signal 0 from master + End of minim, proc 25 time 194.414062500000 +CG processor 25 is finishing work. + Total wall clock time 198.628906250000 sec diff --git a/examples/unres/CSA/GAB/CSA/global/unrestrained/1l2y_csa.out_GB026 b/examples/unres/CSA/GAB/CSA/global/unrestrained/1l2y_csa.out_GB026 new file mode 100644 index 0000000..1a2b67e --- /dev/null +++ b/examples/unres/CSA/GAB/CSA/global/unrestrained/1l2y_csa.out_GB026 @@ -0,0 +1,1176 @@ +******************************************************************************** +United-residue force field calculation - parallel job. +******************************************************************************** + MPI: node= 26 iseed= -82613060 + ran_num 0.391312509505663 +RMSDBC = 3.0 +RMSDBC1 = 0.5 +RMSDBC1MAX = 1.5 +DRMS = 0.1 +RMSDBCM = 3.0 +Time limit (min): 960.0 + RESCALE_MODE 0 +Library routine used to diagonalize matrices. + +******************************************************************************** + Options in energy minimization: +******************************************************************************** +MaxMin: 3000 MaxFun: 1000MinMin: 3000 MinFun: 3000 TolF: 1.00000E-02 RTolF: 1.00000E-04 + NCONF_IN 0 + +Energy-term weights (unscaled): + +WSCC= 1.352790 (SC-SC) +WSCP= 1.593040 (SC-p) +WELEC= 0.715340 (p-p electr) +WVDWPP= 0.113710 (p-p VDW) +WBOND= 1.000000 (stretching) +WANG= 1.138730 (bending) +WSCLOC= 0.162580 (SC local) +WTOR= 1.985990 (torsional) +WTORD= 1.570690 (double torsional) +WSTRAIN= 1.000000 (SS bridges & dist. cnstr.) +WEL_LOC= 0.160360 (multi-body 3-rd order) +WCORR4= 0.428870 (multi-body 4th order) +WCORR5= 0.000000 (multi-body 5th order) +WCORR6= 0.000000 (multi-body 6th order) +WSCCOR= 0.000000 (back-scloc correlation) +WTURN3= 1.687220 (turns, 3rd order) +WTURN4= 0.662300 (turns, 4th order) +WTURN6= 0.000000 (turns, 6th order) +WDFA_D= 0.000000 (DFA, distance) +WDFA_T= 0.000000 (DFA, torsional) +WDFA_N= 0.000000 (DFA, number of neighbor) +WDFA_B= 0.000000 (DFA, beta formation) + +Hydrogen-bonding correlation between contact pairs of peptide groups + +Scaling factor of 1,4 SC-p interactions: 0.400 +General scaling factor of SC-p interactions: 1.000 + +Energy-term weights (scaled): + +WSCC= 1.352790 (SC-SC) +WSCP= 1.593040 (SC-p) +WELEC= 0.715340 (p-p electr) +WVDWPP= 0.113710 (p-p VDW) +WBOND= 1.000000 (stretching) +WANG= 1.138730 (bending) +WSCLOC= 0.162580 (SC local) +WTOR= 1.985990 (torsional) +WTORD= 1.570690 (double torsional) +WSTRAIN= 1.000000 (SS bridges & dist. cnstr.) +WEL_LOC= 0.160360 (multi-body 3-rd order) +WCORR4= 0.428870 (multi-body 4th order) +WCORR5= 0.000000 (multi-body 5th order) +WCORR6= 0.000000 (multi-body 6th order) +WSCCOR= 0.000000 (back-scloc correlatkion) +WTURN3= 1.687220 (turns, 3rd order) +WTURN4= 0.662300 (turns, 4th order) +WTURN6= 0.000000 (turns, 6th order) +WDFA_D= 0.000000 (DFA, distance) +WDFA_T= 0.000000 (DFA, torsional) +WDFA_N= 0.000000 (DFA, number of neighbor) +WDFA_B= 0.000000 (DFA, beta formation) + Reference temperature for weights calculation: 300.000000000000 + Parameters of the SS-bond potential: + D0CM 3.78000000000000 AKCM 15.1000000000000 AKTH + 11.0000000000000 AKCT 12.0000000000000 + V1SS -1.08000000000000 V2SS 7.61000000000000 V3SS + 13.7000000000000 + EBR -5.50000000000000 + ITEL + 1 21 0 + 2 14 1 + 3 5 1 + 4 8 1 + 5 4 1 + 6 13 1 + 7 7 1 + 8 5 1 + 9 19 1 + 10 16 1 + 11 10 1 + 12 10 2 + 13 20 1 + 14 12 1 + 15 12 1 + 16 10 1 + 17 18 2 + 18 20 2 + 19 20 2 + 20 20 1 + 21 12 0 + ns= 0 iss: + NZ_START= 2 NZ_END= 21 + IZ_SC= 0 + +Geometry of the virtual chain. + Res d Theta Gamma Dsc Alpha Beta +D 1 0.000 0.000 0.000 0.000 0.000 0.000 +ASN 2 3.800 0.000 0.000 1.684 0.000 0.000 +LEU 3 3.800 0.000 0.000 1.939 0.000 0.000 +TYR 4 3.800 0.000 0.000 2.484 0.000 0.000 +ILE 5 3.800 0.000 0.000 1.776 0.000 0.000 +GLN 6 3.800 0.000 0.000 2.240 0.000 0.000 +TRP 7 3.800 0.000 0.000 2.605 0.000 0.000 +LEU 8 3.800 0.000 0.000 1.939 0.000 0.000 +LYS 9 3.800 0.000 0.000 2.541 0.000 0.000 +ASP 10 3.800 0.000 0.000 1.709 0.000 0.000 +GLY 11 3.800 0.000 0.000 0.000 0.000 0.000 +GLY 12 3.800 0.000 0.000 0.000 0.000 0.000 +PRO 13 3.800 0.000 0.000 1.345 0.000 0.000 +SER 14 3.800 0.000 0.000 1.150 0.000 0.000 +SER 15 3.800 0.000 0.000 1.150 0.000 0.000 +GLY 16 3.800 0.000 0.000 0.000 0.000 0.000 +ARG 17 3.800 0.000 0.000 3.020 0.000 0.000 +PRO 18 3.800 0.000 0.000 1.345 0.000 0.000 +PRO 19 3.800 0.000 0.000 1.345 0.000 0.000 +PRO 20 3.800 0.000 0.000 1.345 0.000 0.000 +SER 21 3.800 0.000 0.000 1.150 0.000 0.000 +D 22 3.800 0.000 0.000 0.000 0.000 0.000 + + +******************************************************************************** + Processor 26: end reading molecular data. +******************************************************************************** + + +CSA calculations calculation. + +Conformations will be energy-minimized. +******************************************************************************** + +Waiting for 0.1445 sec +Waiting for 0.0547 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec + Finishing minim_jlee - signal 0 from master +Waiting for 0.6250 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.5859 sec +Waiting for 0.1367 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.4219 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0039 sec +Waiting for 0.7969 sec +Waiting for 0.0000 sec +Waiting for 0.0078 sec +Waiting for 0.0977 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.9648 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2656 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.3906 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0039 sec +Waiting for 0.3047 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0234 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3008 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.4219 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 1.3516 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3008 sec +Waiting for 0.0000 sec +Waiting for 0.0195 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3828 sec +Waiting for 0.0508 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.4766 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.1523 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.7539 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3672 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.4336 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3008 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 1.0352 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2539 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.5352 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.2852 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3008 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.2969 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2969 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3008 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3555 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0234 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.5039 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3203 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3555 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3438 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.5234 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.1797 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2539 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.3086 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3125 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2969 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.1797 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2266 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2227 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3398 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3281 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.1562 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0195 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2109 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.5391 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.4609 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.5273 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3008 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3477 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3477 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.2383 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.2695 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2695 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2539 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3359 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3359 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3594 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3359 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2422 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3633 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2617 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.7383 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3867 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0078 sec +Waiting for 0.0000 sec +Waiting for 0.9219 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3203 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.4219 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3633 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3398 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.5508 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.4219 sec +Waiting for 0.0938 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.4180 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.8711 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3008 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.4727 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3398 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0547 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2617 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.4688 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.3320 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.1523 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3633 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3047 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.1562 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3516 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3242 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2383 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2930 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2617 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3359 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3711 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3906 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3242 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3320 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3203 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2539 sec +Waiting for 0.0000 sec +Waiting for 0.0078 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3359 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2578 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3867 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.1953 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.1523 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3125 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.2852 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.1445 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.4609 sec + Finishing minim_jlee - signal 0 from master + End of minim, proc 26 time 194.414062500000 +CG processor 26 is finishing work. + Total wall clock time 198.640625000000 sec diff --git a/examples/unres/CSA/GAB/CSA/global/unrestrained/1l2y_csa.out_GB027 b/examples/unres/CSA/GAB/CSA/global/unrestrained/1l2y_csa.out_GB027 new file mode 100644 index 0000000..fe2b72c --- /dev/null +++ b/examples/unres/CSA/GAB/CSA/global/unrestrained/1l2y_csa.out_GB027 @@ -0,0 +1,1153 @@ +******************************************************************************** +United-residue force field calculation - parallel job. +******************************************************************************** + MPI: node= 27 iseed= -85672803 + ran_num 0.665064755358443 +RMSDBC = 3.0 +RMSDBC1 = 0.5 +RMSDBC1MAX = 1.5 +DRMS = 0.1 +RMSDBCM = 3.0 +Time limit (min): 960.0 + RESCALE_MODE 0 +Library routine used to diagonalize matrices. + +******************************************************************************** + Options in energy minimization: +******************************************************************************** +MaxMin: 3000 MaxFun: 1000MinMin: 3000 MinFun: 3000 TolF: 1.00000E-02 RTolF: 1.00000E-04 + NCONF_IN 0 + +Energy-term weights (unscaled): + +WSCC= 1.352790 (SC-SC) +WSCP= 1.593040 (SC-p) +WELEC= 0.715340 (p-p electr) +WVDWPP= 0.113710 (p-p VDW) +WBOND= 1.000000 (stretching) +WANG= 1.138730 (bending) +WSCLOC= 0.162580 (SC local) +WTOR= 1.985990 (torsional) +WTORD= 1.570690 (double torsional) +WSTRAIN= 1.000000 (SS bridges & dist. cnstr.) +WEL_LOC= 0.160360 (multi-body 3-rd order) +WCORR4= 0.428870 (multi-body 4th order) +WCORR5= 0.000000 (multi-body 5th order) +WCORR6= 0.000000 (multi-body 6th order) +WSCCOR= 0.000000 (back-scloc correlation) +WTURN3= 1.687220 (turns, 3rd order) +WTURN4= 0.662300 (turns, 4th order) +WTURN6= 0.000000 (turns, 6th order) +WDFA_D= 0.000000 (DFA, distance) +WDFA_T= 0.000000 (DFA, torsional) +WDFA_N= 0.000000 (DFA, number of neighbor) +WDFA_B= 0.000000 (DFA, beta formation) + +Hydrogen-bonding correlation between contact pairs of peptide groups + +Scaling factor of 1,4 SC-p interactions: 0.400 +General scaling factor of SC-p interactions: 1.000 + +Energy-term weights (scaled): + +WSCC= 1.352790 (SC-SC) +WSCP= 1.593040 (SC-p) +WELEC= 0.715340 (p-p electr) +WVDWPP= 0.113710 (p-p VDW) +WBOND= 1.000000 (stretching) +WANG= 1.138730 (bending) +WSCLOC= 0.162580 (SC local) +WTOR= 1.985990 (torsional) +WTORD= 1.570690 (double torsional) +WSTRAIN= 1.000000 (SS bridges & dist. cnstr.) +WEL_LOC= 0.160360 (multi-body 3-rd order) +WCORR4= 0.428870 (multi-body 4th order) +WCORR5= 0.000000 (multi-body 5th order) +WCORR6= 0.000000 (multi-body 6th order) +WSCCOR= 0.000000 (back-scloc correlatkion) +WTURN3= 1.687220 (turns, 3rd order) +WTURN4= 0.662300 (turns, 4th order) +WTURN6= 0.000000 (turns, 6th order) +WDFA_D= 0.000000 (DFA, distance) +WDFA_T= 0.000000 (DFA, torsional) +WDFA_N= 0.000000 (DFA, number of neighbor) +WDFA_B= 0.000000 (DFA, beta formation) + Reference temperature for weights calculation: 300.000000000000 + Parameters of the SS-bond potential: + D0CM 3.78000000000000 AKCM 15.1000000000000 AKTH + 11.0000000000000 AKCT 12.0000000000000 + V1SS -1.08000000000000 V2SS 7.61000000000000 V3SS + 13.7000000000000 + EBR -5.50000000000000 + ITEL + 1 21 0 + 2 14 1 + 3 5 1 + 4 8 1 + 5 4 1 + 6 13 1 + 7 7 1 + 8 5 1 + 9 19 1 + 10 16 1 + 11 10 1 + 12 10 2 + 13 20 1 + 14 12 1 + 15 12 1 + 16 10 1 + 17 18 2 + 18 20 2 + 19 20 2 + 20 20 1 + 21 12 0 + ns= 0 iss: + NZ_START= 2 NZ_END= 21 + IZ_SC= 0 + +Geometry of the virtual chain. + Res d Theta Gamma Dsc Alpha Beta +D 1 0.000 0.000 0.000 0.000 0.000 0.000 +ASN 2 3.800 0.000 0.000 1.684 0.000 0.000 +LEU 3 3.800 0.000 0.000 1.939 0.000 0.000 +TYR 4 3.800 0.000 0.000 2.484 0.000 0.000 +ILE 5 3.800 0.000 0.000 1.776 0.000 0.000 +GLN 6 3.800 0.000 0.000 2.240 0.000 0.000 +TRP 7 3.800 0.000 0.000 2.605 0.000 0.000 +LEU 8 3.800 0.000 0.000 1.939 0.000 0.000 +LYS 9 3.800 0.000 0.000 2.541 0.000 0.000 +ASP 10 3.800 0.000 0.000 1.709 0.000 0.000 +GLY 11 3.800 0.000 0.000 0.000 0.000 0.000 +GLY 12 3.800 0.000 0.000 0.000 0.000 0.000 +PRO 13 3.800 0.000 0.000 1.345 0.000 0.000 +SER 14 3.800 0.000 0.000 1.150 0.000 0.000 +SER 15 3.800 0.000 0.000 1.150 0.000 0.000 +GLY 16 3.800 0.000 0.000 0.000 0.000 0.000 +ARG 17 3.800 0.000 0.000 3.020 0.000 0.000 +PRO 18 3.800 0.000 0.000 1.345 0.000 0.000 +PRO 19 3.800 0.000 0.000 1.345 0.000 0.000 +PRO 20 3.800 0.000 0.000 1.345 0.000 0.000 +SER 21 3.800 0.000 0.000 1.150 0.000 0.000 +D 22 3.800 0.000 0.000 0.000 0.000 0.000 + + +******************************************************************************** + Processor 27: end reading molecular data. +******************************************************************************** + + +CSA calculations calculation. + +Conformations will be energy-minimized. +******************************************************************************** + +Waiting for 0.1328 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec + Finishing minim_jlee - signal 0 from master +Waiting for 0.6016 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.6250 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0430 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.4805 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.8359 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 1.0234 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.3359 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.4258 sec +Waiting for 0.0000 sec +Waiting for 0.0469 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.1953 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0117 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3320 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0352 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.4805 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 1.3867 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2578 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.4766 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3945 sec +Waiting for 0.1484 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2969 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.7188 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.1914 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.4297 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.2695 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 1.0352 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2188 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.5938 sec +Waiting for 0.0039 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3047 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3047 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2852 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.1875 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2656 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3086 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0430 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.4844 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.2891 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2734 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.3477 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.5000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0078 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.2891 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2461 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.3242 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2812 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.1914 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2656 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.3594 sec +Waiting for 0.0039 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2812 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.2070 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3477 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.2500 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0508 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3164 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.5938 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.4531 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.5508 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3320 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3633 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2734 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3008 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.2695 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3516 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2383 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.3516 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3047 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2930 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3203 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2539 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3477 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3789 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.7617 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3359 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.9062 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.3320 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.3750 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2891 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0078 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3477 sec +Waiting for 0.0000 sec +Waiting for 0.5234 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.4531 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.4336 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.8320 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.1602 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.5039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2891 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0820 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3164 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.4297 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2617 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3008 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.5273 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2266 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2891 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.4102 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.1680 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2227 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.1367 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3281 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.1523 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.4727 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.4062 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.4336 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2891 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3125 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3125 sec +Waiting for 0.0195 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3203 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3281 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.4180 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3438 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2539 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3711 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3516 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2109 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.4609 sec + Finishing minim_jlee - signal 0 from master + End of minim, proc 27 time 194.414062500000 +CG processor 27 is finishing work. + Total wall clock time 198.640625000000 sec diff --git a/examples/unres/CSA/GAB/CSA/global/unrestrained/1l2y_csa.out_GB028 b/examples/unres/CSA/GAB/CSA/global/unrestrained/1l2y_csa.out_GB028 new file mode 100644 index 0000000..b750dd2 --- /dev/null +++ b/examples/unres/CSA/GAB/CSA/global/unrestrained/1l2y_csa.out_GB028 @@ -0,0 +1,1215 @@ +******************************************************************************** +United-residue force field calculation - parallel job. +******************************************************************************** + MPI: node= 28 iseed= -88732546 + ran_num 0.938817001211222 +RMSDBC = 3.0 +RMSDBC1 = 0.5 +RMSDBC1MAX = 1.5 +DRMS = 0.1 +RMSDBCM = 3.0 +Time limit (min): 960.0 + RESCALE_MODE 0 +Library routine used to diagonalize matrices. + +******************************************************************************** + Options in energy minimization: +******************************************************************************** +MaxMin: 3000 MaxFun: 1000MinMin: 3000 MinFun: 3000 TolF: 1.00000E-02 RTolF: 1.00000E-04 + NCONF_IN 0 + +Energy-term weights (unscaled): + +WSCC= 1.352790 (SC-SC) +WSCP= 1.593040 (SC-p) +WELEC= 0.715340 (p-p electr) +WVDWPP= 0.113710 (p-p VDW) +WBOND= 1.000000 (stretching) +WANG= 1.138730 (bending) +WSCLOC= 0.162580 (SC local) +WTOR= 1.985990 (torsional) +WTORD= 1.570690 (double torsional) +WSTRAIN= 1.000000 (SS bridges & dist. cnstr.) +WEL_LOC= 0.160360 (multi-body 3-rd order) +WCORR4= 0.428870 (multi-body 4th order) +WCORR5= 0.000000 (multi-body 5th order) +WCORR6= 0.000000 (multi-body 6th order) +WSCCOR= 0.000000 (back-scloc correlation) +WTURN3= 1.687220 (turns, 3rd order) +WTURN4= 0.662300 (turns, 4th order) +WTURN6= 0.000000 (turns, 6th order) +WDFA_D= 0.000000 (DFA, distance) +WDFA_T= 0.000000 (DFA, torsional) +WDFA_N= 0.000000 (DFA, number of neighbor) +WDFA_B= 0.000000 (DFA, beta formation) + +Hydrogen-bonding correlation between contact pairs of peptide groups + +Scaling factor of 1,4 SC-p interactions: 0.400 +General scaling factor of SC-p interactions: 1.000 + +Energy-term weights (scaled): + +WSCC= 1.352790 (SC-SC) +WSCP= 1.593040 (SC-p) +WELEC= 0.715340 (p-p electr) +WVDWPP= 0.113710 (p-p VDW) +WBOND= 1.000000 (stretching) +WANG= 1.138730 (bending) +WSCLOC= 0.162580 (SC local) +WTOR= 1.985990 (torsional) +WTORD= 1.570690 (double torsional) +WSTRAIN= 1.000000 (SS bridges & dist. cnstr.) +WEL_LOC= 0.160360 (multi-body 3-rd order) +WCORR4= 0.428870 (multi-body 4th order) +WCORR5= 0.000000 (multi-body 5th order) +WCORR6= 0.000000 (multi-body 6th order) +WSCCOR= 0.000000 (back-scloc correlatkion) +WTURN3= 1.687220 (turns, 3rd order) +WTURN4= 0.662300 (turns, 4th order) +WTURN6= 0.000000 (turns, 6th order) +WDFA_D= 0.000000 (DFA, distance) +WDFA_T= 0.000000 (DFA, torsional) +WDFA_N= 0.000000 (DFA, number of neighbor) +WDFA_B= 0.000000 (DFA, beta formation) + Reference temperature for weights calculation: 300.000000000000 + Parameters of the SS-bond potential: + D0CM 3.78000000000000 AKCM 15.1000000000000 AKTH + 11.0000000000000 AKCT 12.0000000000000 + V1SS -1.08000000000000 V2SS 7.61000000000000 V3SS + 13.7000000000000 + EBR -5.50000000000000 + ITEL + 1 21 0 + 2 14 1 + 3 5 1 + 4 8 1 + 5 4 1 + 6 13 1 + 7 7 1 + 8 5 1 + 9 19 1 + 10 16 1 + 11 10 1 + 12 10 2 + 13 20 1 + 14 12 1 + 15 12 1 + 16 10 1 + 17 18 2 + 18 20 2 + 19 20 2 + 20 20 1 + 21 12 0 + ns= 0 iss: + NZ_START= 2 NZ_END= 21 + IZ_SC= 0 + +Geometry of the virtual chain. + Res d Theta Gamma Dsc Alpha Beta +D 1 0.000 0.000 0.000 0.000 0.000 0.000 +ASN 2 3.800 0.000 0.000 1.684 0.000 0.000 +LEU 3 3.800 0.000 0.000 1.939 0.000 0.000 +TYR 4 3.800 0.000 0.000 2.484 0.000 0.000 +ILE 5 3.800 0.000 0.000 1.776 0.000 0.000 +GLN 6 3.800 0.000 0.000 2.240 0.000 0.000 +TRP 7 3.800 0.000 0.000 2.605 0.000 0.000 +LEU 8 3.800 0.000 0.000 1.939 0.000 0.000 +LYS 9 3.800 0.000 0.000 2.541 0.000 0.000 +ASP 10 3.800 0.000 0.000 1.709 0.000 0.000 +GLY 11 3.800 0.000 0.000 0.000 0.000 0.000 +GLY 12 3.800 0.000 0.000 0.000 0.000 0.000 +PRO 13 3.800 0.000 0.000 1.345 0.000 0.000 +SER 14 3.800 0.000 0.000 1.150 0.000 0.000 +SER 15 3.800 0.000 0.000 1.150 0.000 0.000 +GLY 16 3.800 0.000 0.000 0.000 0.000 0.000 +ARG 17 3.800 0.000 0.000 3.020 0.000 0.000 +PRO 18 3.800 0.000 0.000 1.345 0.000 0.000 +PRO 19 3.800 0.000 0.000 1.345 0.000 0.000 +PRO 20 3.800 0.000 0.000 1.345 0.000 0.000 +SER 21 3.800 0.000 0.000 1.150 0.000 0.000 +D 22 3.800 0.000 0.000 0.000 0.000 0.000 + + +******************************************************************************** + Processor 28: end reading molecular data. +******************************************************************************** + + +CSA calculations calculation. + +Conformations will be energy-minimized. +******************************************************************************** + +Waiting for 0.1328 sec +Waiting for 0.2461 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec + Finishing minim_jlee - signal 0 from master +Waiting for 0.5977 sec +Waiting for 0.0312 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.5938 sec +Waiting for 0.0781 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.4375 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.8359 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.1094 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 1.0430 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3281 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.5039 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.1055 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0156 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.4062 sec +Waiting for 0.0000 sec +Waiting for 0.0078 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.4805 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 1.2539 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2188 sec +Waiting for 0.0234 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.4648 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.5039 sec +Waiting for 0.0586 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3203 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.6250 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3633 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.4062 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3320 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 1.0273 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0820 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0117 sec +Waiting for 0.0000 sec +Waiting for 0.6055 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.1445 sec +Waiting for 0.0000 sec +Waiting for 0.0156 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3047 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2930 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2109 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.1680 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2539 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.4727 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2734 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0078 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2852 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2695 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.4922 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0078 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3281 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.3242 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0078 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3633 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3594 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0039 sec +Waiting for 0.1758 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2773 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3438 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2539 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3477 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3516 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.1914 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2695 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.5664 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.5000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.5078 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3242 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.2578 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3398 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2539 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3047 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0078 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3750 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2539 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3477 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3633 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3125 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3555 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3555 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.3672 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3438 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.7539 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2852 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.9219 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3438 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0078 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.4180 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.1719 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2539 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.5078 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3984 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.4609 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.8047 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.3164 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.5078 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2891 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0352 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2734 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3828 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3281 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3047 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.5156 sec +Waiting for 0.0078 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3125 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.1641 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0078 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.4453 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3438 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2656 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3047 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2656 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2188 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.4492 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3945 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2383 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2656 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2344 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0586 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.3086 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2969 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2617 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3906 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2695 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3320 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3867 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.2578 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3242 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.4570 sec + Finishing minim_jlee - signal 0 from master + End of minim, proc 28 time 194.417968750000 +CG processor 28 is finishing work. + Total wall clock time 198.644531250000 sec diff --git a/examples/unres/CSA/GAB/CSA/global/unrestrained/1l2y_csa.out_GB029 b/examples/unres/CSA/GAB/CSA/global/unrestrained/1l2y_csa.out_GB029 new file mode 100644 index 0000000..760b6fa --- /dev/null +++ b/examples/unres/CSA/GAB/CSA/global/unrestrained/1l2y_csa.out_GB029 @@ -0,0 +1,1222 @@ +******************************************************************************** +United-residue force field calculation - parallel job. +******************************************************************************** + MPI: node= 29 iseed= -91792289 + ran_num 0.212569247064002 +RMSDBC = 3.0 +RMSDBC1 = 0.5 +RMSDBC1MAX = 1.5 +DRMS = 0.1 +RMSDBCM = 3.0 +Time limit (min): 960.0 + RESCALE_MODE 0 +Library routine used to diagonalize matrices. + +******************************************************************************** + Options in energy minimization: +******************************************************************************** +MaxMin: 3000 MaxFun: 1000MinMin: 3000 MinFun: 3000 TolF: 1.00000E-02 RTolF: 1.00000E-04 + NCONF_IN 0 + +Energy-term weights (unscaled): + +WSCC= 1.352790 (SC-SC) +WSCP= 1.593040 (SC-p) +WELEC= 0.715340 (p-p electr) +WVDWPP= 0.113710 (p-p VDW) +WBOND= 1.000000 (stretching) +WANG= 1.138730 (bending) +WSCLOC= 0.162580 (SC local) +WTOR= 1.985990 (torsional) +WTORD= 1.570690 (double torsional) +WSTRAIN= 1.000000 (SS bridges & dist. cnstr.) +WEL_LOC= 0.160360 (multi-body 3-rd order) +WCORR4= 0.428870 (multi-body 4th order) +WCORR5= 0.000000 (multi-body 5th order) +WCORR6= 0.000000 (multi-body 6th order) +WSCCOR= 0.000000 (back-scloc correlation) +WTURN3= 1.687220 (turns, 3rd order) +WTURN4= 0.662300 (turns, 4th order) +WTURN6= 0.000000 (turns, 6th order) +WDFA_D= 0.000000 (DFA, distance) +WDFA_T= 0.000000 (DFA, torsional) +WDFA_N= 0.000000 (DFA, number of neighbor) +WDFA_B= 0.000000 (DFA, beta formation) + +Hydrogen-bonding correlation between contact pairs of peptide groups + +Scaling factor of 1,4 SC-p interactions: 0.400 +General scaling factor of SC-p interactions: 1.000 + +Energy-term weights (scaled): + +WSCC= 1.352790 (SC-SC) +WSCP= 1.593040 (SC-p) +WELEC= 0.715340 (p-p electr) +WVDWPP= 0.113710 (p-p VDW) +WBOND= 1.000000 (stretching) +WANG= 1.138730 (bending) +WSCLOC= 0.162580 (SC local) +WTOR= 1.985990 (torsional) +WTORD= 1.570690 (double torsional) +WSTRAIN= 1.000000 (SS bridges & dist. cnstr.) +WEL_LOC= 0.160360 (multi-body 3-rd order) +WCORR4= 0.428870 (multi-body 4th order) +WCORR5= 0.000000 (multi-body 5th order) +WCORR6= 0.000000 (multi-body 6th order) +WSCCOR= 0.000000 (back-scloc correlatkion) +WTURN3= 1.687220 (turns, 3rd order) +WTURN4= 0.662300 (turns, 4th order) +WTURN6= 0.000000 (turns, 6th order) +WDFA_D= 0.000000 (DFA, distance) +WDFA_T= 0.000000 (DFA, torsional) +WDFA_N= 0.000000 (DFA, number of neighbor) +WDFA_B= 0.000000 (DFA, beta formation) + Reference temperature for weights calculation: 300.000000000000 + Parameters of the SS-bond potential: + D0CM 3.78000000000000 AKCM 15.1000000000000 AKTH + 11.0000000000000 AKCT 12.0000000000000 + V1SS -1.08000000000000 V2SS 7.61000000000000 V3SS + 13.7000000000000 + EBR -5.50000000000000 + ITEL + 1 21 0 + 2 14 1 + 3 5 1 + 4 8 1 + 5 4 1 + 6 13 1 + 7 7 1 + 8 5 1 + 9 19 1 + 10 16 1 + 11 10 1 + 12 10 2 + 13 20 1 + 14 12 1 + 15 12 1 + 16 10 1 + 17 18 2 + 18 20 2 + 19 20 2 + 20 20 1 + 21 12 0 + ns= 0 iss: + NZ_START= 2 NZ_END= 21 + IZ_SC= 0 + +Geometry of the virtual chain. + Res d Theta Gamma Dsc Alpha Beta +D 1 0.000 0.000 0.000 0.000 0.000 0.000 +ASN 2 3.800 0.000 0.000 1.684 0.000 0.000 +LEU 3 3.800 0.000 0.000 1.939 0.000 0.000 +TYR 4 3.800 0.000 0.000 2.484 0.000 0.000 +ILE 5 3.800 0.000 0.000 1.776 0.000 0.000 +GLN 6 3.800 0.000 0.000 2.240 0.000 0.000 +TRP 7 3.800 0.000 0.000 2.605 0.000 0.000 +LEU 8 3.800 0.000 0.000 1.939 0.000 0.000 +LYS 9 3.800 0.000 0.000 2.541 0.000 0.000 +ASP 10 3.800 0.000 0.000 1.709 0.000 0.000 +GLY 11 3.800 0.000 0.000 0.000 0.000 0.000 +GLY 12 3.800 0.000 0.000 0.000 0.000 0.000 +PRO 13 3.800 0.000 0.000 1.345 0.000 0.000 +SER 14 3.800 0.000 0.000 1.150 0.000 0.000 +SER 15 3.800 0.000 0.000 1.150 0.000 0.000 +GLY 16 3.800 0.000 0.000 0.000 0.000 0.000 +ARG 17 3.800 0.000 0.000 3.020 0.000 0.000 +PRO 18 3.800 0.000 0.000 1.345 0.000 0.000 +PRO 19 3.800 0.000 0.000 1.345 0.000 0.000 +PRO 20 3.800 0.000 0.000 1.345 0.000 0.000 +SER 21 3.800 0.000 0.000 1.150 0.000 0.000 +D 22 3.800 0.000 0.000 0.000 0.000 0.000 + + +******************************************************************************** + Processor 29: end reading molecular data. +******************************************************************************** + + +CSA calculations calculation. + +Conformations will be energy-minimized. +******************************************************************************** + +Waiting for 0.1367 sec +Waiting for 0.1406 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec + Finishing minim_jlee - signal 0 from master +Waiting for 0.6016 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.5469 sec +Waiting for 0.1211 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.5195 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0312 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.8047 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0977 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 1.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0508 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.5234 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.3281 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3750 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.4883 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 1.2812 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3164 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3594 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.4961 sec +Waiting for 0.0234 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3125 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.7461 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0078 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3438 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.4102 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2695 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.9961 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2930 sec +Waiting for 0.0000 sec +Waiting for 0.0664 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.6094 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3203 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3398 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2891 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2852 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2656 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.3594 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.4844 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3086 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2266 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2422 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.4531 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3125 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.2266 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3516 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3594 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3398 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.2305 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.3516 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.1992 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3438 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3047 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2695 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2930 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3516 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.4766 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.5430 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3125 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.1680 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2188 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3203 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2656 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3672 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2812 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.3125 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3281 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.3477 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.3750 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3320 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2773 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3555 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.7461 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3789 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.8789 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.1992 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3789 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3672 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3516 sec +Waiting for 0.0039 sec +Waiting for 0.5625 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.4336 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2617 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.8516 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.2656 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.4766 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3594 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.1992 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3828 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.3711 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.3438 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.5859 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.1641 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3359 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3828 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3242 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0039 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3008 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2344 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2227 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.1719 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.4180 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2461 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.4141 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3281 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3320 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2656 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2969 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3086 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.4023 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3047 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2695 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3281 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0078 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2930 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.3047 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3711 sec + Finishing minim_jlee - signal 0 from master + End of minim, proc 29 time 194.417968750000 +CG processor 29 is finishing work. + Total wall clock time 198.632812500000 sec diff --git a/examples/unres/CSA/GAB/CSA/global/unrestrained/1l2y_csa.out_GB030 b/examples/unres/CSA/GAB/CSA/global/unrestrained/1l2y_csa.out_GB030 new file mode 100644 index 0000000..7ef8db5 --- /dev/null +++ b/examples/unres/CSA/GAB/CSA/global/unrestrained/1l2y_csa.out_GB030 @@ -0,0 +1,1255 @@ +******************************************************************************** +United-residue force field calculation - parallel job. +******************************************************************************** + MPI: node= 30 iseed= -94852032 + ran_num 0.486321492916781 +RMSDBC = 3.0 +RMSDBC1 = 0.5 +RMSDBC1MAX = 1.5 +DRMS = 0.1 +RMSDBCM = 3.0 +Time limit (min): 960.0 + RESCALE_MODE 0 +Library routine used to diagonalize matrices. + +******************************************************************************** + Options in energy minimization: +******************************************************************************** +MaxMin: 3000 MaxFun: 1000MinMin: 3000 MinFun: 3000 TolF: 1.00000E-02 RTolF: 1.00000E-04 + NCONF_IN 0 + +Energy-term weights (unscaled): + +WSCC= 1.352790 (SC-SC) +WSCP= 1.593040 (SC-p) +WELEC= 0.715340 (p-p electr) +WVDWPP= 0.113710 (p-p VDW) +WBOND= 1.000000 (stretching) +WANG= 1.138730 (bending) +WSCLOC= 0.162580 (SC local) +WTOR= 1.985990 (torsional) +WTORD= 1.570690 (double torsional) +WSTRAIN= 1.000000 (SS bridges & dist. cnstr.) +WEL_LOC= 0.160360 (multi-body 3-rd order) +WCORR4= 0.428870 (multi-body 4th order) +WCORR5= 0.000000 (multi-body 5th order) +WCORR6= 0.000000 (multi-body 6th order) +WSCCOR= 0.000000 (back-scloc correlation) +WTURN3= 1.687220 (turns, 3rd order) +WTURN4= 0.662300 (turns, 4th order) +WTURN6= 0.000000 (turns, 6th order) +WDFA_D= 0.000000 (DFA, distance) +WDFA_T= 0.000000 (DFA, torsional) +WDFA_N= 0.000000 (DFA, number of neighbor) +WDFA_B= 0.000000 (DFA, beta formation) + +Hydrogen-bonding correlation between contact pairs of peptide groups + +Scaling factor of 1,4 SC-p interactions: 0.400 +General scaling factor of SC-p interactions: 1.000 + +Energy-term weights (scaled): + +WSCC= 1.352790 (SC-SC) +WSCP= 1.593040 (SC-p) +WELEC= 0.715340 (p-p electr) +WVDWPP= 0.113710 (p-p VDW) +WBOND= 1.000000 (stretching) +WANG= 1.138730 (bending) +WSCLOC= 0.162580 (SC local) +WTOR= 1.985990 (torsional) +WTORD= 1.570690 (double torsional) +WSTRAIN= 1.000000 (SS bridges & dist. cnstr.) +WEL_LOC= 0.160360 (multi-body 3-rd order) +WCORR4= 0.428870 (multi-body 4th order) +WCORR5= 0.000000 (multi-body 5th order) +WCORR6= 0.000000 (multi-body 6th order) +WSCCOR= 0.000000 (back-scloc correlatkion) +WTURN3= 1.687220 (turns, 3rd order) +WTURN4= 0.662300 (turns, 4th order) +WTURN6= 0.000000 (turns, 6th order) +WDFA_D= 0.000000 (DFA, distance) +WDFA_T= 0.000000 (DFA, torsional) +WDFA_N= 0.000000 (DFA, number of neighbor) +WDFA_B= 0.000000 (DFA, beta formation) + Reference temperature for weights calculation: 300.000000000000 + Parameters of the SS-bond potential: + D0CM 3.78000000000000 AKCM 15.1000000000000 AKTH + 11.0000000000000 AKCT 12.0000000000000 + V1SS -1.08000000000000 V2SS 7.61000000000000 V3SS + 13.7000000000000 + EBR -5.50000000000000 + ITEL + 1 21 0 + 2 14 1 + 3 5 1 + 4 8 1 + 5 4 1 + 6 13 1 + 7 7 1 + 8 5 1 + 9 19 1 + 10 16 1 + 11 10 1 + 12 10 2 + 13 20 1 + 14 12 1 + 15 12 1 + 16 10 1 + 17 18 2 + 18 20 2 + 19 20 2 + 20 20 1 + 21 12 0 + ns= 0 iss: + NZ_START= 2 NZ_END= 21 + IZ_SC= 0 + +Geometry of the virtual chain. + Res d Theta Gamma Dsc Alpha Beta +D 1 0.000 0.000 0.000 0.000 0.000 0.000 +ASN 2 3.800 0.000 0.000 1.684 0.000 0.000 +LEU 3 3.800 0.000 0.000 1.939 0.000 0.000 +TYR 4 3.800 0.000 0.000 2.484 0.000 0.000 +ILE 5 3.800 0.000 0.000 1.776 0.000 0.000 +GLN 6 3.800 0.000 0.000 2.240 0.000 0.000 +TRP 7 3.800 0.000 0.000 2.605 0.000 0.000 +LEU 8 3.800 0.000 0.000 1.939 0.000 0.000 +LYS 9 3.800 0.000 0.000 2.541 0.000 0.000 +ASP 10 3.800 0.000 0.000 1.709 0.000 0.000 +GLY 11 3.800 0.000 0.000 0.000 0.000 0.000 +GLY 12 3.800 0.000 0.000 0.000 0.000 0.000 +PRO 13 3.800 0.000 0.000 1.345 0.000 0.000 +SER 14 3.800 0.000 0.000 1.150 0.000 0.000 +SER 15 3.800 0.000 0.000 1.150 0.000 0.000 +GLY 16 3.800 0.000 0.000 0.000 0.000 0.000 +ARG 17 3.800 0.000 0.000 3.020 0.000 0.000 +PRO 18 3.800 0.000 0.000 1.345 0.000 0.000 +PRO 19 3.800 0.000 0.000 1.345 0.000 0.000 +PRO 20 3.800 0.000 0.000 1.345 0.000 0.000 +SER 21 3.800 0.000 0.000 1.150 0.000 0.000 +D 22 3.800 0.000 0.000 0.000 0.000 0.000 + + +******************************************************************************** + Processor 30: end reading molecular data. +******************************************************************************** + + +CSA calculations calculation. + +Conformations will be energy-minimized. +******************************************************************************** + +Waiting for 0.1484 sec +Waiting for 0.2969 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec + Finishing minim_jlee - signal 0 from master +Waiting for 0.6016 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0234 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.6289 sec +Waiting for 0.0898 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0312 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.4414 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.7930 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 1.0469 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2656 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.5195 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0352 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.2109 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0391 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3164 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.4297 sec +Waiting for 0.0039 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 1.3867 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3008 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0156 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.4961 sec +Waiting for 0.0000 sec +Waiting for 0.0391 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.4570 sec +Waiting for 0.1289 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2695 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.7070 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3125 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.4375 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2773 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 1.0273 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2148 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.6328 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2930 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3320 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3359 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3320 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2578 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3320 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.4453 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2656 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3750 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2227 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.4688 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3203 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2852 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2500 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.1289 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3594 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2617 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3398 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2734 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2578 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3672 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0078 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.2305 sec +Waiting for 0.0000 sec +Waiting for 0.0430 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3398 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.5117 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.5039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.5820 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3242 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.3672 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3750 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3477 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0078 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3008 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3594 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2539 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3047 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3320 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3828 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3281 sec +Waiting for 0.0000 sec +Waiting for 0.0078 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.1914 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3438 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3906 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.7617 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0078 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3711 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.9336 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3125 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.4062 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3320 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2930 sec +Waiting for 0.0000 sec +Waiting for 0.6133 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0078 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2812 sec +Waiting for 0.1016 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3984 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.8438 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2734 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.5273 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2344 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0742 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2383 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3633 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3398 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2031 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.4766 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3125 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2617 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.4336 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.2461 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2578 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.3125 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2188 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3359 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.4414 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3906 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.4453 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.1250 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3242 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0156 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3047 sec +Waiting for 0.0000 sec +Waiting for 0.0078 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3398 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3516 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.4570 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.3398 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3438 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3750 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0078 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.2617 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2266 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3789 sec + Finishing minim_jlee - signal 0 from master + End of minim, proc 30 time 194.417968750000 +CG processor 30 is finishing work. + Total wall clock time 198.636718750000 sec diff --git a/examples/unres/CSA/GAB/CSA/global/unrestrained/1l2y_csa.out_GB031 b/examples/unres/CSA/GAB/CSA/global/unrestrained/1l2y_csa.out_GB031 new file mode 100644 index 0000000..6ffc9b7 --- /dev/null +++ b/examples/unres/CSA/GAB/CSA/global/unrestrained/1l2y_csa.out_GB031 @@ -0,0 +1,1223 @@ +******************************************************************************** +United-residue force field calculation - parallel job. +******************************************************************************** + MPI: node= 31 iseed= -97911775 + ran_num 0.760073738769561 +RMSDBC = 3.0 +RMSDBC1 = 0.5 +RMSDBC1MAX = 1.5 +DRMS = 0.1 +RMSDBCM = 3.0 +Time limit (min): 960.0 + RESCALE_MODE 0 +Library routine used to diagonalize matrices. + +******************************************************************************** + Options in energy minimization: +******************************************************************************** +MaxMin: 3000 MaxFun: 1000MinMin: 3000 MinFun: 3000 TolF: 1.00000E-02 RTolF: 1.00000E-04 + NCONF_IN 0 + +Energy-term weights (unscaled): + +WSCC= 1.352790 (SC-SC) +WSCP= 1.593040 (SC-p) +WELEC= 0.715340 (p-p electr) +WVDWPP= 0.113710 (p-p VDW) +WBOND= 1.000000 (stretching) +WANG= 1.138730 (bending) +WSCLOC= 0.162580 (SC local) +WTOR= 1.985990 (torsional) +WTORD= 1.570690 (double torsional) +WSTRAIN= 1.000000 (SS bridges & dist. cnstr.) +WEL_LOC= 0.160360 (multi-body 3-rd order) +WCORR4= 0.428870 (multi-body 4th order) +WCORR5= 0.000000 (multi-body 5th order) +WCORR6= 0.000000 (multi-body 6th order) +WSCCOR= 0.000000 (back-scloc correlation) +WTURN3= 1.687220 (turns, 3rd order) +WTURN4= 0.662300 (turns, 4th order) +WTURN6= 0.000000 (turns, 6th order) +WDFA_D= 0.000000 (DFA, distance) +WDFA_T= 0.000000 (DFA, torsional) +WDFA_N= 0.000000 (DFA, number of neighbor) +WDFA_B= 0.000000 (DFA, beta formation) + +Hydrogen-bonding correlation between contact pairs of peptide groups + +Scaling factor of 1,4 SC-p interactions: 0.400 +General scaling factor of SC-p interactions: 1.000 + +Energy-term weights (scaled): + +WSCC= 1.352790 (SC-SC) +WSCP= 1.593040 (SC-p) +WELEC= 0.715340 (p-p electr) +WVDWPP= 0.113710 (p-p VDW) +WBOND= 1.000000 (stretching) +WANG= 1.138730 (bending) +WSCLOC= 0.162580 (SC local) +WTOR= 1.985990 (torsional) +WTORD= 1.570690 (double torsional) +WSTRAIN= 1.000000 (SS bridges & dist. cnstr.) +WEL_LOC= 0.160360 (multi-body 3-rd order) +WCORR4= 0.428870 (multi-body 4th order) +WCORR5= 0.000000 (multi-body 5th order) +WCORR6= 0.000000 (multi-body 6th order) +WSCCOR= 0.000000 (back-scloc correlatkion) +WTURN3= 1.687220 (turns, 3rd order) +WTURN4= 0.662300 (turns, 4th order) +WTURN6= 0.000000 (turns, 6th order) +WDFA_D= 0.000000 (DFA, distance) +WDFA_T= 0.000000 (DFA, torsional) +WDFA_N= 0.000000 (DFA, number of neighbor) +WDFA_B= 0.000000 (DFA, beta formation) + Reference temperature for weights calculation: 300.000000000000 + Parameters of the SS-bond potential: + D0CM 3.78000000000000 AKCM 15.1000000000000 AKTH + 11.0000000000000 AKCT 12.0000000000000 + V1SS -1.08000000000000 V2SS 7.61000000000000 V3SS + 13.7000000000000 + EBR -5.50000000000000 + ITEL + 1 21 0 + 2 14 1 + 3 5 1 + 4 8 1 + 5 4 1 + 6 13 1 + 7 7 1 + 8 5 1 + 9 19 1 + 10 16 1 + 11 10 1 + 12 10 2 + 13 20 1 + 14 12 1 + 15 12 1 + 16 10 1 + 17 18 2 + 18 20 2 + 19 20 2 + 20 20 1 + 21 12 0 + ns= 0 iss: + NZ_START= 2 NZ_END= 21 + IZ_SC= 0 + +Geometry of the virtual chain. + Res d Theta Gamma Dsc Alpha Beta +D 1 0.000 0.000 0.000 0.000 0.000 0.000 +ASN 2 3.800 0.000 0.000 1.684 0.000 0.000 +LEU 3 3.800 0.000 0.000 1.939 0.000 0.000 +TYR 4 3.800 0.000 0.000 2.484 0.000 0.000 +ILE 5 3.800 0.000 0.000 1.776 0.000 0.000 +GLN 6 3.800 0.000 0.000 2.240 0.000 0.000 +TRP 7 3.800 0.000 0.000 2.605 0.000 0.000 +LEU 8 3.800 0.000 0.000 1.939 0.000 0.000 +LYS 9 3.800 0.000 0.000 2.541 0.000 0.000 +ASP 10 3.800 0.000 0.000 1.709 0.000 0.000 +GLY 11 3.800 0.000 0.000 0.000 0.000 0.000 +GLY 12 3.800 0.000 0.000 0.000 0.000 0.000 +PRO 13 3.800 0.000 0.000 1.345 0.000 0.000 +SER 14 3.800 0.000 0.000 1.150 0.000 0.000 +SER 15 3.800 0.000 0.000 1.150 0.000 0.000 +GLY 16 3.800 0.000 0.000 0.000 0.000 0.000 +ARG 17 3.800 0.000 0.000 3.020 0.000 0.000 +PRO 18 3.800 0.000 0.000 1.345 0.000 0.000 +PRO 19 3.800 0.000 0.000 1.345 0.000 0.000 +PRO 20 3.800 0.000 0.000 1.345 0.000 0.000 +SER 21 3.800 0.000 0.000 1.150 0.000 0.000 +D 22 3.800 0.000 0.000 0.000 0.000 0.000 + + +******************************************************************************** + Processor 31: end reading molecular data. +******************************************************************************** + + +CSA calculations calculation. + +Conformations will be energy-minimized. +******************************************************************************** + +Waiting for 0.1562 sec +Waiting for 0.2344 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec + Finishing minim_jlee - signal 0 from master +Waiting for 0.0000 sec +Waiting for 0.2148 sec +Waiting for 0.0117 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0078 sec +Waiting for 0.4180 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0586 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.8086 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.1406 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 1.0586 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0078 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.1758 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.5156 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3281 sec +Waiting for 0.0000 sec +Waiting for 0.0391 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.3867 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.4141 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 1.2656 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.1875 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.4766 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.4492 sec +Waiting for 0.0664 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2539 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.7695 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3047 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.4297 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2930 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 1.0352 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2188 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.5039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2930 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0078 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.1562 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3242 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2930 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3008 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3438 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.4961 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3125 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.2891 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3555 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.5156 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.1328 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3203 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2461 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3516 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3320 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.2500 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.3320 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3047 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3008 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2656 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2383 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0078 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3164 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.5664 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.4883 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.5039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0078 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3203 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3477 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3672 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2852 sec +Waiting for 0.0312 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2812 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.1719 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2383 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3477 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3438 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2891 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3711 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.1992 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2812 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3984 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.7031 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3828 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.9219 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0078 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3320 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3711 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2656 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3203 sec +Waiting for 0.0000 sec +Waiting for 0.6211 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.4453 sec +Waiting for 0.0820 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.4492 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.8828 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2852 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.4961 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3281 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0117 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2930 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.4609 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.3789 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2539 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.5312 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2656 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2891 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.4141 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3086 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2852 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2773 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2852 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.1562 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3867 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3672 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3555 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3359 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3320 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0625 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.1758 sec +Waiting for 0.0195 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3320 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2930 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.4375 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.2734 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3125 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3008 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3477 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3203 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3320 sec + Finishing minim_jlee - signal 0 from master + End of minim, proc 31 time 191.480468750000 +CG processor 31 is finishing work. + Total wall clock time 198.644531250000 sec diff --git a/examples/unres/CSA/GAB/CSA/global/unrestrained/1l2y_csa@001.pdb b/examples/unres/CSA/GAB/CSA/global/unrestrained/1l2y_csa@001.pdb new file mode 100644 index 0000000..44cd09a --- /dev/null +++ b/examples/unres/CSA/GAB/CSA/global/unrestrained/1l2y_csa@001.pdb @@ -0,0 +1,60 @@ +REMARK GM 1 e 169 m 1 ENERGY -4.02608E+01 +ATOM 1 CA ASN 1 3.800 0.000 0.000 0.000 +ATOM 2 CB ASN 1 5.230 0.836 0.302 0.000 +ATOM 3 CA LEU 2 5.587 -3.353 0.000 0.000 +ATOM 4 CB LEU 2 5.889 -5.034 -0.918 0.000 +ATOM 5 CA TYR 3 8.887 -3.689 1.854 0.000 +ATOM 6 CB TYR 3 8.696 -3.537 4.326 0.000 +ATOM 7 CA ILE 4 10.379 -7.183 1.923 0.000 +ATOM 8 CB ILE 4 10.160 -7.891 0.309 0.000 +ATOM 9 CA GLN 5 13.745 -7.788 3.580 0.000 +ATOM 10 CB GLN 5 13.627 -6.138 5.091 0.000 +ATOM 11 CA TRP 6 15.356 -11.229 3.515 0.000 +ATOM 12 CB TRP 6 16.826 -13.343 3.119 0.000 +ATOM 13 CA LEU 7 18.448 -10.092 5.409 0.000 +ATOM 14 CB LEU 7 19.998 -8.934 5.279 0.000 +ATOM 15 CA LYS 8 18.505 -10.850 9.133 0.000 +ATOM 16 CB LYS 8 20.736 -12.028 8.836 0.000 +ATOM 17 CA ASP 9 17.583 -8.412 11.897 0.000 +ATOM 18 CB ASP 9 16.805 -7.178 11.007 0.000 +ATOM 19 CA GLY 10 18.038 -9.372 15.546 0.000 +ATOM 20 CA GLY 11 17.130 -7.254 18.568 0.000 +ATOM 21 CA PRO 12 17.029 -7.870 22.316 0.000 +ATOM 22 CB PRO 12 17.069 -6.526 22.312 0.000 +ATOM 23 CA SER 13 14.844 -10.705 23.591 0.000 +ATOM 24 CB SER 13 15.183 -11.719 23.166 0.000 +ATOM 25 CA SER 14 14.649 -11.808 27.222 0.000 +ATOM 26 CB SER 14 14.773 -11.106 28.125 0.000 +ATOM 27 CA GLY 15 12.381 -14.532 28.592 0.000 +ATOM 28 CA ARG 16 8.859 -14.023 29.925 0.000 +ATOM 29 CB ARG 16 8.002 -11.436 31.226 0.000 +ATOM 30 CA PRO 17 6.544 -16.543 31.578 0.000 +ATOM 31 CB PRO 17 6.150 -15.400 32.166 0.000 +ATOM 32 CA PRO 18 4.744 -19.088 29.405 0.000 +ATOM 33 CB PRO 18 5.528 -20.083 29.859 0.000 +ATOM 34 CA PRO 19 1.393 -19.358 31.176 0.000 +ATOM 35 CB PRO 19 1.977 -18.367 31.873 0.000 +ATOM 36 CA SER 20 -1.825 -19.649 29.175 0.000 +ATOM 37 CB SER 20 -1.835 -20.468 28.368 0.000 +TER +CONECT 1 3 2 +CONECT 3 5 4 +CONECT 5 7 6 +CONECT 7 9 8 +CONECT 9 11 10 +CONECT 11 13 12 +CONECT 13 15 14 +CONECT 15 17 16 +CONECT 17 19 18 +CONECT 19 20 +CONECT 20 21 +CONECT 21 23 22 +CONECT 23 25 24 +CONECT 25 27 26 +CONECT 27 28 +CONECT 28 30 29 +CONECT 30 32 31 +CONECT 32 34 33 +CONECT 34 36 35 +CONECT 36 37 +ENDMDL diff --git a/examples/unres/CSA/GAB/CSA/global/unrestrained/1l2y_csa@002.pdb b/examples/unres/CSA/GAB/CSA/global/unrestrained/1l2y_csa@002.pdb new file mode 100644 index 0000000..f16d75f --- /dev/null +++ b/examples/unres/CSA/GAB/CSA/global/unrestrained/1l2y_csa@002.pdb @@ -0,0 +1,60 @@ +REMARK GM 2 e 711 m 2 ENERGY -5.07058E+01 +ATOM 1 CA ASN 1 3.800 0.000 0.000 0.000 +ATOM 2 CB ASN 1 5.266 0.769 0.309 0.000 +ATOM 3 CA LEU 2 5.612 -3.340 0.000 0.000 +ATOM 4 CB LEU 2 4.498 -4.394 -1.186 0.000 +ATOM 5 CA TYR 3 9.053 -3.719 1.567 0.000 +ATOM 6 CB TYR 3 10.849 -2.507 2.781 0.000 +ATOM 7 CA ILE 4 10.903 -7.037 1.504 0.000 +ATOM 8 CB ILE 4 10.158 -8.252 0.444 0.000 +ATOM 9 CA GLN 5 14.465 -7.187 2.819 0.000 +ATOM 10 CB GLN 5 14.772 -5.201 3.808 0.000 +ATOM 11 CA TRP 6 14.552 -10.963 2.396 0.000 +ATOM 12 CB TRP 6 14.931 -13.538 2.503 0.000 +ATOM 13 CA LEU 7 14.658 -10.644 -1.389 0.000 +ATOM 14 CB LEU 7 14.509 -8.714 -1.285 0.000 +ATOM 15 CA LYS 8 17.591 -13.046 -1.650 0.000 +ATOM 16 CB LYS 8 18.438 -11.036 -2.954 0.000 +ATOM 17 CA ASP 9 15.340 -16.056 -1.088 0.000 +ATOM 18 CB ASP 9 13.732 -16.473 -0.687 0.000 +ATOM 19 CA GLY 10 15.490 -19.169 -3.262 0.000 +ATOM 20 CA GLY 11 13.829 -22.222 -1.726 0.000 +ATOM 21 CA PRO 12 12.200 -25.363 -3.114 0.000 +ATOM 22 CB PRO 12 12.804 -25.924 -2.051 0.000 +ATOM 23 CA SER 13 9.030 -24.358 -4.952 0.000 +ATOM 24 CB SER 13 8.319 -25.211 -5.252 0.000 +ATOM 25 CA SER 14 7.336 -23.369 -1.698 0.000 +ATOM 26 CB SER 14 7.756 -23.885 -0.760 0.000 +ATOM 27 CA GLY 15 9.305 -20.137 -1.354 0.000 +ATOM 28 CA ARG 16 8.705 -16.459 -0.611 0.000 +ATOM 29 CB ARG 16 10.349 -14.000 0.000 0.000 +ATOM 30 CA PRO 17 7.868 -13.875 -3.269 0.000 +ATOM 31 CB PRO 17 6.769 -13.834 -2.496 0.000 +ATOM 32 CA PRO 18 10.540 -11.398 -4.349 0.000 +ATOM 33 CB PRO 18 11.417 -12.216 -3.739 0.000 +ATOM 34 CA PRO 19 9.885 -12.021 -8.040 0.000 +ATOM 35 CB PRO 19 8.865 -12.701 -7.488 0.000 +ATOM 36 CA SER 20 9.320 -8.329 -8.740 0.000 +ATOM 37 CB SER 20 9.184 -8.336 -7.599 0.000 +TER +CONECT 1 3 2 +CONECT 3 5 4 +CONECT 5 7 6 +CONECT 7 9 8 +CONECT 9 11 10 +CONECT 11 13 12 +CONECT 13 15 14 +CONECT 15 17 16 +CONECT 17 19 18 +CONECT 19 20 +CONECT 20 21 +CONECT 21 23 22 +CONECT 23 25 24 +CONECT 25 27 26 +CONECT 27 28 +CONECT 28 30 29 +CONECT 30 32 31 +CONECT 32 34 33 +CONECT 34 36 35 +CONECT 36 37 +ENDMDL diff --git a/examples/unres/CSA/GAB/CSA/global/unrestrained/1l2y_csa@003.pdb b/examples/unres/CSA/GAB/CSA/global/unrestrained/1l2y_csa@003.pdb new file mode 100644 index 0000000..202a3e9 --- /dev/null +++ b/examples/unres/CSA/GAB/CSA/global/unrestrained/1l2y_csa@003.pdb @@ -0,0 +1,60 @@ +REMARK GM 3 e 1833 m 4 ENERGY -5.13673E+01 +ATOM 1 CA ASN 1 3.800 0.000 0.000 0.000 +ATOM 2 CB ASN 1 5.395 0.492 0.223 0.000 +ATOM 3 CA LEU 2 4.056 -3.791 0.000 0.000 +ATOM 4 CB LEU 2 2.542 -4.236 1.128 0.000 +ATOM 5 CA TYR 3 5.989 -5.989 -2.423 0.000 +ATOM 6 CB TYR 3 4.610 -8.039 -2.164 0.000 +ATOM 7 CA ILE 4 5.095 -5.779 -6.111 0.000 +ATOM 8 CB ILE 4 3.911 -7.094 -6.262 0.000 +ATOM 9 CA GLN 5 6.321 -3.338 -8.752 0.000 +ATOM 10 CB GLN 5 7.334 -4.910 -9.985 0.000 +ATOM 11 CA TRP 6 3.184 -1.212 -8.466 0.000 +ATOM 12 CB TRP 6 1.803 -3.116 -7.347 0.000 +ATOM 13 CA LEU 7 4.451 0.636 -5.397 0.000 +ATOM 14 CB LEU 7 4.743 -0.952 -4.322 0.000 +ATOM 15 CA LYS 8 5.910 4.002 -6.388 0.000 +ATOM 16 CB LYS 8 3.733 4.874 -5.410 0.000 +ATOM 17 CA ASP 9 9.630 4.768 -6.496 0.000 +ATOM 18 CB ASP 9 11.189 4.069 -6.506 0.000 +ATOM 19 CA GLY 10 10.985 8.208 -7.375 0.000 +ATOM 20 CA GLY 11 14.590 9.387 -7.603 0.000 +ATOM 21 CA PRO 12 17.526 6.978 -7.727 0.000 +ATOM 22 CB PRO 12 18.205 8.104 -8.014 0.000 +ATOM 23 CA SER 13 16.846 3.971 -5.506 0.000 +ATOM 24 CB SER 13 15.832 4.091 -4.978 0.000 +ATOM 25 CA SER 14 16.282 0.352 -6.518 0.000 +ATOM 26 CB SER 14 16.729 -0.374 -5.746 0.000 +ATOM 27 CA GLY 15 12.953 -1.447 -6.870 0.000 +ATOM 28 CA ARG 16 10.293 -2.165 -4.254 0.000 +ATOM 29 CB ARG 16 8.388 -1.422 -6.476 0.000 +ATOM 30 CA PRO 17 10.322 -2.418 -0.462 0.000 +ATOM 31 CB PRO 17 8.984 -2.463 -0.585 0.000 +ATOM 32 CA PRO 18 11.501 -5.637 1.178 0.000 +ATOM 33 CB PRO 18 12.228 -4.890 2.028 0.000 +ATOM 34 CA PRO 19 8.517 -6.961 3.122 0.000 +ATOM 35 CB PRO 19 7.857 -6.441 2.072 0.000 +ATOM 36 CA SER 20 9.247 -9.768 5.577 0.000 +ATOM 37 CB SER 20 9.446 -9.314 6.615 0.000 +TER +CONECT 1 3 2 +CONECT 3 5 4 +CONECT 5 7 6 +CONECT 7 9 8 +CONECT 9 11 10 +CONECT 11 13 12 +CONECT 13 15 14 +CONECT 15 17 16 +CONECT 17 19 18 +CONECT 19 20 +CONECT 20 21 +CONECT 21 23 22 +CONECT 23 25 24 +CONECT 25 27 26 +CONECT 27 28 +CONECT 28 30 29 +CONECT 30 32 31 +CONECT 32 34 33 +CONECT 34 36 35 +CONECT 36 37 +ENDMDL diff --git a/examples/unres/CSA/GAB/CSA/global/unrestrained/1l2y_csa@004.pdb b/examples/unres/CSA/GAB/CSA/global/unrestrained/1l2y_csa@004.pdb new file mode 100644 index 0000000..a9c7842 --- /dev/null +++ b/examples/unres/CSA/GAB/CSA/global/unrestrained/1l2y_csa@004.pdb @@ -0,0 +1,60 @@ +REMARK GM 4 e 3522 m 7 ENERGY -5.71579E+01 +ATOM 1 CA ASN 1 3.800 0.000 0.000 0.000 +ATOM 2 CB ASN 1 4.195 1.627 0.176 0.000 +ATOM 3 CA LEU 2 5.694 -3.295 0.000 0.000 +ATOM 4 CB LEU 2 6.473 -3.673 -1.735 0.000 +ATOM 5 CA TYR 3 7.063 -4.774 3.221 0.000 +ATOM 6 CB TYR 3 6.570 -6.347 5.079 0.000 +ATOM 7 CA ILE 4 8.331 -7.857 1.396 0.000 +ATOM 8 CB ILE 4 7.404 -8.209 -0.077 0.000 +ATOM 9 CA GLN 5 11.589 -6.205 0.348 0.000 +ATOM 10 CB GLN 5 11.151 -4.442 -0.962 0.000 +ATOM 11 CA TRP 6 10.994 -3.195 2.589 0.000 +ATOM 12 CB TRP 6 10.486 -4.627 4.705 0.000 +ATOM 13 CA LEU 7 9.628 -0.325 0.506 0.000 +ATOM 14 CB LEU 7 8.637 0.470 -0.959 0.000 +ATOM 15 CA LYS 8 8.457 1.496 3.628 0.000 +ATOM 16 CB LYS 8 6.691 -0.329 3.711 0.000 +ATOM 17 CA ASP 9 12.034 2.171 4.719 0.000 +ATOM 18 CB ASP 9 12.469 0.862 3.710 0.000 +ATOM 19 CA GLY 10 12.601 5.217 6.919 0.000 +ATOM 20 CA GLY 11 15.500 7.059 8.544 0.000 +ATOM 21 CA PRO 12 16.908 4.806 11.260 0.000 +ATOM 22 CB PRO 12 16.549 5.701 12.197 0.000 +ATOM 23 CA SER 13 14.015 2.356 11.000 0.000 +ATOM 24 CB SER 13 13.240 3.135 10.661 0.000 +ATOM 25 CA SER 14 14.829 -0.934 9.280 0.000 +ATOM 26 CB SER 14 15.540 -1.580 9.913 0.000 +ATOM 27 CA GLY 15 12.342 -3.695 8.484 0.000 +ATOM 28 CA ARG 16 12.560 -7.304 7.317 0.000 +ATOM 29 CB ARG 16 12.726 -9.511 9.372 0.000 +ATOM 30 CA PRO 17 9.565 -9.435 6.354 0.000 +ATOM 31 CB PRO 17 10.477 -9.826 5.446 0.000 +ATOM 32 CA PRO 18 7.583 -10.813 9.288 0.000 +ATOM 33 CB PRO 18 8.435 -10.016 9.958 0.000 +ATOM 34 CA PRO 19 3.789 -10.695 9.112 0.000 +ATOM 35 CB PRO 19 3.588 -11.726 9.952 0.000 +ATOM 36 CA SER 20 2.173 -8.256 11.537 0.000 +ATOM 37 CB SER 20 1.482 -7.508 11.002 0.000 +TER +CONECT 1 3 2 +CONECT 3 5 4 +CONECT 5 7 6 +CONECT 7 9 8 +CONECT 9 11 10 +CONECT 11 13 12 +CONECT 13 15 14 +CONECT 15 17 16 +CONECT 17 19 18 +CONECT 19 20 +CONECT 20 21 +CONECT 21 23 22 +CONECT 23 25 24 +CONECT 25 27 26 +CONECT 27 28 +CONECT 28 30 29 +CONECT 30 32 31 +CONECT 32 34 33 +CONECT 34 36 35 +CONECT 36 37 +ENDMDL diff --git a/examples/unres/CSA/GAB/CSA/global/unrestrained/1l2y_csa@005.pdb b/examples/unres/CSA/GAB/CSA/global/unrestrained/1l2y_csa@005.pdb new file mode 100644 index 0000000..e132666 --- /dev/null +++ b/examples/unres/CSA/GAB/CSA/global/unrestrained/1l2y_csa@005.pdb @@ -0,0 +1,60 @@ +REMARK GM 5 e 7630 m 15 ENERGY -6.00184E+01 +ATOM 1 CA ASN 1 3.800 0.000 0.000 0.000 +ATOM 2 CB ASN 1 4.257 1.445 0.734 0.000 +ATOM 3 CA LEU 2 4.039 -3.792 0.000 0.000 +ATOM 4 CB LEU 2 4.876 -5.393 0.706 0.000 +ATOM 5 CA TYR 3 0.845 -5.583 -1.016 0.000 +ATOM 6 CB TYR 3 0.334 -5.516 -3.446 0.000 +ATOM 7 CA ILE 4 1.176 -9.360 -1.263 0.000 +ATOM 8 CB ILE 4 2.393 -9.899 -0.087 0.000 +ATOM 9 CA GLN 5 -2.575 -9.820 -1.663 0.000 +ATOM 10 CB GLN 5 -4.393 -8.513 -1.722 0.000 +ATOM 11 CA TRP 6 -2.515 -7.868 -4.923 0.000 +ATOM 12 CB TRP 6 -4.768 -7.301 -6.102 0.000 +ATOM 13 CA LEU 7 0.842 -9.312 -5.963 0.000 +ATOM 14 CB LEU 7 2.694 -9.553 -5.444 0.000 +ATOM 15 CA LYS 8 -0.673 -12.738 -6.602 0.000 +ATOM 16 CB LYS 8 0.742 -12.622 -8.709 0.000 +ATOM 17 CA ASP 9 -1.550 -15.186 -3.830 0.000 +ATOM 18 CB ASP 9 -1.742 -15.460 -2.154 0.000 +ATOM 19 CA GLY 10 -3.497 -18.295 -4.821 0.000 +ATOM 20 CA GLY 11 -6.787 -16.491 -5.421 0.000 +ATOM 21 CA PRO 12 -7.847 -13.821 -7.909 0.000 +ATOM 22 CB PRO 12 -8.806 -13.323 -7.108 0.000 +ATOM 23 CA SER 13 -6.183 -10.444 -8.423 0.000 +ATOM 24 CB SER 13 -5.146 -10.642 -7.967 0.000 +ATOM 25 CA SER 14 -6.859 -7.800 -11.067 0.000 +ATOM 26 CB SER 14 -7.926 -7.390 -10.947 0.000 +ATOM 27 CA GLY 15 -5.227 -4.543 -9.984 0.000 +ATOM 28 CA ARG 16 -8.053 -3.566 -7.639 0.000 +ATOM 29 CB ARG 16 -10.622 -4.163 -9.111 0.000 +ATOM 30 CA PRO 17 -9.098 -5.621 -4.619 0.000 +ATOM 31 CB PRO 17 -9.543 -4.405 -4.255 0.000 +ATOM 32 CA PRO 18 -11.169 -8.763 -5.147 0.000 +ATOM 33 CB PRO 18 -10.585 -8.801 -6.358 0.000 +ATOM 34 CA PRO 19 -9.008 -10.752 -2.737 0.000 +ATOM 35 CB PRO 19 -7.970 -10.463 -3.542 0.000 +ATOM 36 CA SER 20 -9.167 -8.030 -0.091 0.000 +ATOM 37 CB SER 20 -9.631 -7.086 -0.557 0.000 +TER +CONECT 1 3 2 +CONECT 3 5 4 +CONECT 5 7 6 +CONECT 7 9 8 +CONECT 9 11 10 +CONECT 11 13 12 +CONECT 13 15 14 +CONECT 15 17 16 +CONECT 17 19 18 +CONECT 19 20 +CONECT 20 21 +CONECT 21 23 22 +CONECT 23 25 24 +CONECT 25 27 26 +CONECT 27 28 +CONECT 28 30 29 +CONECT 30 32 31 +CONECT 32 34 33 +CONECT 34 36 35 +CONECT 36 37 +ENDMDL diff --git a/examples/unres/CSA/GAB/CSA/global/unrestrained/1l2y_csa@006.pdb b/examples/unres/CSA/GAB/CSA/global/unrestrained/1l2y_csa@006.pdb new file mode 100644 index 0000000..2a0ebfc --- /dev/null +++ b/examples/unres/CSA/GAB/CSA/global/unrestrained/1l2y_csa@006.pdb @@ -0,0 +1,60 @@ +REMARK GM 6 e 14728 m 29 ENERGY -6.03899E+01 +ATOM 1 CA ASN 1 3.800 0.000 0.000 0.000 +ATOM 2 CB ASN 1 5.191 0.809 0.497 0.000 +ATOM 3 CA LEU 2 5.462 -3.417 0.000 0.000 +ATOM 4 CB LEU 2 6.825 -4.721 -0.449 0.000 +ATOM 5 CA TYR 3 4.263 -4.181 3.524 0.000 +ATOM 6 CB TYR 3 5.082 -1.867 3.910 0.000 +ATOM 7 CA ILE 4 0.994 -5.651 2.263 0.000 +ATOM 8 CB ILE 4 1.139 -4.636 0.814 0.000 +ATOM 9 CA GLN 5 0.634 -9.419 2.606 0.000 +ATOM 10 CB GLN 5 0.729 -10.142 4.723 0.000 +ATOM 11 CA TRP 6 1.517 -11.648 -0.343 0.000 +ATOM 12 CB TRP 6 2.859 -9.589 0.521 0.000 +ATOM 13 CA LEU 7 2.135 -15.240 0.731 0.000 +ATOM 14 CB LEU 7 2.416 -15.945 2.516 0.000 +ATOM 15 CA LYS 8 2.200 -17.941 -1.941 0.000 +ATOM 16 CB LYS 8 0.542 -16.185 -2.730 0.000 +ATOM 17 CA ASP 9 2.540 -21.675 -1.323 0.000 +ATOM 18 CB ASP 9 2.285 -23.354 -1.516 0.000 +ATOM 19 CA GLY 10 6.224 -21.435 -0.420 0.000 +ATOM 20 CA GLY 11 7.620 -18.735 1.860 0.000 +ATOM 21 CA PRO 12 7.388 -14.963 1.459 0.000 +ATOM 22 CB PRO 12 7.244 -14.981 2.796 0.000 +ATOM 23 CA SER 13 8.806 -13.541 -1.767 0.000 +ATOM 24 CB SER 13 8.122 -13.624 -2.687 0.000 +ATOM 25 CA SER 14 7.985 -9.944 -0.859 0.000 +ATOM 26 CB SER 14 7.273 -9.928 0.044 0.000 +ATOM 27 CA GLY 15 10.787 -8.166 0.992 0.000 +ATOM 28 CA ARG 16 9.224 -8.566 4.433 0.000 +ATOM 29 CB ARG 16 6.227 -8.204 4.535 0.000 +ATOM 30 CA PRO 17 7.894 -11.749 6.026 0.000 +ATOM 31 CB PRO 17 8.499 -11.210 7.100 0.000 +ATOM 32 CA PRO 18 4.156 -12.413 5.854 0.000 +ATOM 33 CB PRO 18 4.381 -12.075 4.572 0.000 +ATOM 34 CA PRO 19 2.649 -15.190 7.965 0.000 +ATOM 35 CB PRO 19 2.402 -14.401 9.026 0.000 +ATOM 36 CA SER 20 -0.692 -15.086 6.156 0.000 +ATOM 37 CB SER 20 -0.666 -14.267 5.350 0.000 +TER +CONECT 1 3 2 +CONECT 3 5 4 +CONECT 5 7 6 +CONECT 7 9 8 +CONECT 9 11 10 +CONECT 11 13 12 +CONECT 13 15 14 +CONECT 15 17 16 +CONECT 17 19 18 +CONECT 19 20 +CONECT 20 21 +CONECT 21 23 22 +CONECT 23 25 24 +CONECT 25 27 26 +CONECT 27 28 +CONECT 28 30 29 +CONECT 30 32 31 +CONECT 32 34 33 +CONECT 34 36 35 +CONECT 36 37 +ENDMDL diff --git a/examples/unres/CSA/GAB/CSA/global/unrestrained/1l2y_csa@007.pdb b/examples/unres/CSA/GAB/CSA/global/unrestrained/1l2y_csa@007.pdb new file mode 100644 index 0000000..69fcb0d --- /dev/null +++ b/examples/unres/CSA/GAB/CSA/global/unrestrained/1l2y_csa@007.pdb @@ -0,0 +1,60 @@ +REMARK GM 7 e 16582 m 32 ENERGY -6.72687E+01 +ATOM 1 CA ASN 1 3.800 0.000 0.000 0.000 +ATOM 2 CB ASN 1 4.333 0.313 1.566 0.000 +ATOM 3 CA LEU 2 5.635 -3.328 0.000 0.000 +ATOM 4 CB LEU 2 5.543 -5.088 -0.807 0.000 +ATOM 5 CA TYR 3 8.933 -3.356 1.887 0.000 +ATOM 6 CB TYR 3 8.548 -1.075 2.792 0.000 +ATOM 7 CA ILE 4 11.381 -6.127 2.764 0.000 +ATOM 8 CB ILE 4 12.912 -6.471 1.932 0.000 +ATOM 9 CA GLN 5 9.164 -7.382 5.583 0.000 +ATOM 10 CB GLN 5 8.311 -5.904 7.034 0.000 +ATOM 11 CA TRP 6 6.410 -8.180 3.090 0.000 +ATOM 12 CB TRP 6 6.144 -5.643 3.617 0.000 +ATOM 13 CA LEU 7 8.965 -9.445 0.578 0.000 +ATOM 14 CB LEU 7 9.509 -8.115 -0.724 0.000 +ATOM 15 CA LYS 8 10.080 -12.146 3.007 0.000 +ATOM 16 CB LYS 8 11.294 -10.447 4.454 0.000 +ATOM 17 CA ASP 9 6.796 -14.009 2.572 0.000 +ATOM 18 CB ASP 9 5.827 -12.945 1.651 0.000 +ATOM 19 CA GLY 10 8.441 -17.380 3.177 0.000 +ATOM 20 CA GLY 11 10.636 -17.255 0.078 0.000 +ATOM 21 CA PRO 12 12.542 -14.246 -1.246 0.000 +ATOM 22 CB PRO 12 13.328 -15.076 -1.954 0.000 +ATOM 23 CA SER 13 9.735 -13.232 -3.598 0.000 +ATOM 24 CB SER 13 10.111 -13.824 -4.509 0.000 +ATOM 25 CA SER 14 6.224 -12.054 -2.746 0.000 +ATOM 26 CB SER 14 6.130 -11.135 -2.060 0.000 +ATOM 27 CA GLY 15 5.331 -10.289 -5.990 0.000 +ATOM 28 CA ARG 16 7.899 -7.514 -5.608 0.000 +ATOM 29 CB ARG 16 7.943 -4.746 -4.401 0.000 +ATOM 30 CA PRO 17 11.698 -7.612 -5.584 0.000 +ATOM 31 CB PRO 17 11.578 -6.309 -5.898 0.000 +ATOM 32 CA PRO 18 13.714 -8.497 -2.487 0.000 +ATOM 33 CB PRO 18 13.290 -9.734 -2.803 0.000 +ATOM 34 CA PRO 19 16.851 -6.361 -2.680 0.000 +ATOM 35 CB PRO 19 16.217 -5.958 -3.795 0.000 +ATOM 36 CA SER 20 18.093 -4.365 0.305 0.000 +ATOM 37 CB SER 20 17.276 -3.892 0.962 0.000 +TER +CONECT 1 3 2 +CONECT 3 5 4 +CONECT 5 7 6 +CONECT 7 9 8 +CONECT 9 11 10 +CONECT 11 13 12 +CONECT 13 15 14 +CONECT 15 17 16 +CONECT 17 19 18 +CONECT 19 20 +CONECT 20 21 +CONECT 21 23 22 +CONECT 23 25 24 +CONECT 25 27 26 +CONECT 27 28 +CONECT 28 30 29 +CONECT 30 32 31 +CONECT 32 34 33 +CONECT 34 36 35 +CONECT 36 37 +ENDMDL diff --git a/examples/unres/CSA/GAB/CSA/global/unrestrained/1l2y_csa@008.pdb b/examples/unres/CSA/GAB/CSA/global/unrestrained/1l2y_csa@008.pdb new file mode 100644 index 0000000..5206dc2 --- /dev/null +++ b/examples/unres/CSA/GAB/CSA/global/unrestrained/1l2y_csa@008.pdb @@ -0,0 +1,60 @@ +REMARK GM 8 e 60048 m 119 ENERGY -6.92484E+01 +ATOM 1 CA ASN 1 3.800 0.000 0.000 0.000 +ATOM 2 CB ASN 1 5.309 0.712 0.230 0.000 +ATOM 3 CA LEU 2 5.605 -3.344 0.000 0.000 +ATOM 4 CB LEU 2 5.809 -5.078 -0.844 0.000 +ATOM 5 CA TYR 3 9.251 -3.143 1.051 0.000 +ATOM 6 CB TYR 3 10.242 -2.992 3.324 0.000 +ATOM 7 CA ILE 4 10.421 -3.340 -2.559 0.000 +ATOM 8 CB ILE 4 10.234 -4.920 -3.349 0.000 +ATOM 9 CA GLN 5 9.171 0.196 -3.169 0.000 +ATOM 10 CB GLN 5 7.060 -0.542 -3.033 0.000 +ATOM 11 CA TRP 6 10.302 1.247 0.304 0.000 +ATOM 12 CB TRP 6 10.796 3.211 1.942 0.000 +ATOM 13 CA LEU 7 13.846 0.027 -0.320 0.000 +ATOM 14 CB LEU 7 13.665 -1.851 0.129 0.000 +ATOM 15 CA LYS 8 14.501 2.921 -2.694 0.000 +ATOM 16 CB LYS 8 11.964 2.913 -2.823 0.000 +ATOM 17 CA ASP 9 16.529 4.842 -0.117 0.000 +ATOM 18 CB ASP 9 17.968 5.684 0.260 0.000 +ATOM 19 CA GLY 10 14.668 6.200 2.905 0.000 +ATOM 20 CA GLY 11 12.024 8.927 3.006 0.000 +ATOM 21 CA PRO 12 10.750 10.584 6.180 0.000 +ATOM 22 CB PRO 12 10.432 11.656 5.434 0.000 +ATOM 23 CA SER 13 10.487 7.296 8.067 0.000 +ATOM 24 CB SER 13 10.224 6.437 7.349 0.000 +ATOM 25 CA SER 14 13.219 5.359 9.865 0.000 +ATOM 26 CB SER 14 12.830 4.825 10.806 0.000 +ATOM 27 CA GLY 15 14.909 2.311 8.351 0.000 +ATOM 28 CA ARG 16 13.128 -1.043 8.496 0.000 +ATOM 29 CB ARG 16 11.464 0.982 6.997 0.000 +ATOM 30 CA PRO 17 14.363 -4.471 7.418 0.000 +ATOM 31 CB PRO 17 13.762 -4.764 8.585 0.000 +ATOM 32 CA PRO 18 14.065 -5.340 3.731 0.000 +ATOM 33 CB PRO 18 15.340 -5.747 3.866 0.000 +ATOM 34 CA PRO 19 11.557 -7.903 2.474 0.000 +ATOM 35 CB PRO 19 10.863 -7.179 1.577 0.000 +ATOM 36 CA SER 20 13.043 -9.654 -0.553 0.000 +ATOM 37 CB SER 20 12.689 -9.222 -1.559 0.000 +TER +CONECT 1 3 2 +CONECT 3 5 4 +CONECT 5 7 6 +CONECT 7 9 8 +CONECT 9 11 10 +CONECT 11 13 12 +CONECT 13 15 14 +CONECT 15 17 16 +CONECT 17 19 18 +CONECT 19 20 +CONECT 20 21 +CONECT 21 23 22 +CONECT 23 25 24 +CONECT 25 27 26 +CONECT 27 28 +CONECT 28 30 29 +CONECT 30 32 31 +CONECT 32 34 33 +CONECT 34 36 35 +CONECT 36 37 +ENDMDL diff --git a/examples/unres/CSA/GAB/CSA/global/unrestrained/1l2y_csa@009.pdb b/examples/unres/CSA/GAB/CSA/global/unrestrained/1l2y_csa@009.pdb new file mode 100644 index 0000000..6cad95b --- /dev/null +++ b/examples/unres/CSA/GAB/CSA/global/unrestrained/1l2y_csa@009.pdb @@ -0,0 +1,60 @@ +REMARK GM 9 e 104358 m 211 ENERGY -6.92514E+01 +ATOM 1 CA ASN 1 3.800 0.000 0.000 0.000 +ATOM 2 CB ASN 1 5.303 0.717 0.251 0.000 +ATOM 3 CA LEU 2 5.619 -3.336 0.000 0.000 +ATOM 4 CB LEU 2 5.856 -5.058 -0.860 0.000 +ATOM 5 CA TYR 3 9.241 -3.132 1.133 0.000 +ATOM 6 CB TYR 3 10.173 -3.005 3.431 0.000 +ATOM 7 CA ILE 4 10.493 -3.288 -2.452 0.000 +ATOM 8 CB ILE 4 10.331 -4.861 -3.259 0.000 +ATOM 9 CA GLN 5 9.239 0.248 -3.056 0.000 +ATOM 10 CB GLN 5 7.131 -0.504 -2.979 0.000 +ATOM 11 CA TRP 6 10.287 1.271 0.450 0.000 +ATOM 12 CB TRP 6 10.744 3.210 2.129 0.000 +ATOM 13 CA LEU 7 13.852 0.079 -0.108 0.000 +ATOM 14 CB LEU 7 13.661 -1.801 0.327 0.000 +ATOM 15 CA LYS 8 14.531 2.985 -2.460 0.000 +ATOM 16 CB LYS 8 11.996 2.969 -2.635 0.000 +ATOM 17 CA ASP 9 16.498 4.909 0.160 0.000 +ATOM 18 CB ASP 9 17.915 5.773 0.569 0.000 +ATOM 19 CA GLY 10 14.570 6.210 3.165 0.000 +ATOM 20 CA GLY 11 11.880 8.893 3.254 0.000 +ATOM 21 CA PRO 12 10.531 10.514 6.415 0.000 +ATOM 22 CB PRO 12 10.220 11.591 5.672 0.000 +ATOM 23 CA SER 13 10.254 7.208 8.268 0.000 +ATOM 24 CB SER 13 10.009 6.353 7.540 0.000 +ATOM 25 CA SER 14 12.981 5.286 10.086 0.000 +ATOM 26 CB SER 14 12.588 4.740 11.019 0.000 +ATOM 27 CA GLY 15 14.718 2.265 8.569 0.000 +ATOM 28 CA ARG 16 12.950 -1.097 8.667 0.000 +ATOM 29 CB ARG 16 11.294 0.925 7.153 0.000 +ATOM 30 CA PRO 17 14.210 -4.516 7.588 0.000 +ATOM 31 CB PRO 17 13.586 -4.818 8.740 0.000 +ATOM 32 CA PRO 18 13.991 -5.358 3.889 0.000 +ATOM 33 CB PRO 18 15.263 -5.767 4.050 0.000 +ATOM 34 CA PRO 19 11.508 -7.908 2.559 0.000 +ATOM 35 CB PRO 19 10.838 -7.175 1.653 0.000 +ATOM 36 CA SER 20 13.064 -9.646 -0.441 0.000 +ATOM 37 CB SER 20 12.733 -9.209 -1.452 0.000 +TER +CONECT 1 3 2 +CONECT 3 5 4 +CONECT 5 7 6 +CONECT 7 9 8 +CONECT 9 11 10 +CONECT 11 13 12 +CONECT 13 15 14 +CONECT 15 17 16 +CONECT 17 19 18 +CONECT 19 20 +CONECT 20 21 +CONECT 21 23 22 +CONECT 23 25 24 +CONECT 25 27 26 +CONECT 27 28 +CONECT 28 30 29 +CONECT 30 32 31 +CONECT 32 34 33 +CONECT 34 36 35 +CONECT 36 37 +ENDMDL diff --git a/examples/unres/CSA/GAB/CSA/global/unrestrained/1l2y_csa@010.pdb b/examples/unres/CSA/GAB/CSA/global/unrestrained/1l2y_csa@010.pdb new file mode 100644 index 0000000..e3a0696 --- /dev/null +++ b/examples/unres/CSA/GAB/CSA/global/unrestrained/1l2y_csa@010.pdb @@ -0,0 +1,60 @@ +REMARK GM 10 e 106653 m 220 ENERGY -6.94120E+01 +ATOM 1 CA ASN 1 3.800 0.000 0.000 0.000 +ATOM 2 CB ASN 1 5.306 0.717 0.235 0.000 +ATOM 3 CA LEU 2 5.613 -3.340 0.000 0.000 +ATOM 4 CB LEU 2 5.824 -5.074 -0.841 0.000 +ATOM 5 CA TYR 3 9.259 -3.128 1.048 0.000 +ATOM 6 CB TYR 3 10.241 -2.969 3.325 0.000 +ATOM 7 CA ILE 4 10.431 -3.331 -2.561 0.000 +ATOM 8 CB ILE 4 10.235 -4.912 -3.346 0.000 +ATOM 9 CA GLN 5 9.189 0.208 -3.172 0.000 +ATOM 10 CB GLN 5 7.078 -0.528 -3.030 0.000 +ATOM 11 CA TRP 6 10.302 1.252 0.308 0.000 +ATOM 12 CB TRP 6 10.765 3.211 1.961 0.000 +ATOM 13 CA LEU 7 13.849 0.032 -0.299 0.000 +ATOM 14 CB LEU 7 13.705 -1.864 0.080 0.000 +ATOM 15 CA LYS 8 14.511 2.922 -2.676 0.000 +ATOM 16 CB LYS 8 11.973 2.915 -2.814 0.000 +ATOM 17 CA ASP 9 16.497 4.873 -0.090 0.000 +ATOM 18 CB ASP 9 17.918 5.739 0.300 0.000 +ATOM 19 CA GLY 10 14.589 6.215 2.910 0.000 +ATOM 20 CA GLY 11 11.894 8.894 2.973 0.000 +ATOM 21 CA PRO 12 10.544 10.582 6.098 0.000 +ATOM 22 CB PRO 12 10.242 11.647 5.335 0.000 +ATOM 23 CA SER 13 10.245 7.313 8.012 0.000 +ATOM 24 CB SER 13 9.998 6.443 7.301 0.000 +ATOM 25 CA SER 14 13.000 5.437 9.837 0.000 +ATOM 26 CB SER 14 12.617 4.895 10.776 0.000 +ATOM 27 CA GLY 15 14.751 2.420 8.330 0.000 +ATOM 28 CA ARG 16 13.045 -0.973 8.466 0.000 +ATOM 29 CB ARG 16 11.342 1.017 6.963 0.000 +ATOM 30 CA PRO 17 14.380 -4.361 7.381 0.000 +ATOM 31 CB PRO 17 13.807 -4.672 8.557 0.000 +ATOM 32 CA PRO 18 14.133 -5.227 3.689 0.000 +ATOM 33 CB PRO 18 15.415 -5.615 3.811 0.000 +ATOM 34 CA PRO 19 11.855 -7.894 2.227 0.000 +ATOM 35 CB PRO 19 11.025 -7.165 1.460 0.000 +ATOM 36 CA SER 20 13.919 -8.270 -0.941 0.000 +ATOM 37 CB SER 20 13.803 -7.324 -1.585 0.000 +TER +CONECT 1 3 2 +CONECT 3 5 4 +CONECT 5 7 6 +CONECT 7 9 8 +CONECT 9 11 10 +CONECT 11 13 12 +CONECT 13 15 14 +CONECT 15 17 16 +CONECT 17 19 18 +CONECT 19 20 +CONECT 20 21 +CONECT 21 23 22 +CONECT 23 25 24 +CONECT 25 27 26 +CONECT 27 28 +CONECT 28 30 29 +CONECT 30 32 31 +CONECT 32 34 33 +CONECT 34 36 35 +CONECT 36 37 +ENDMDL diff --git a/examples/unres/CSA/GAB/CSA/global/unrestrained/1l2y_csa@011.pdb b/examples/unres/CSA/GAB/CSA/global/unrestrained/1l2y_csa@011.pdb new file mode 100644 index 0000000..886c9d2 --- /dev/null +++ b/examples/unres/CSA/GAB/CSA/global/unrestrained/1l2y_csa@011.pdb @@ -0,0 +1,60 @@ +REMARK GM 11 e 237337 m 583 ENERGY -7.17417E+01 +ATOM 1 CA ASN 1 3.800 0.000 0.000 0.000 +ATOM 2 CB ASN 1 5.398 0.373 0.379 0.000 +ATOM 3 CA LEU 2 4.056 -3.791 0.000 0.000 +ATOM 4 CB LEU 2 3.607 -5.381 1.015 0.000 +ATOM 5 CA TYR 3 5.224 -5.026 -3.399 0.000 +ATOM 6 CB TYR 3 5.644 -3.723 -5.471 0.000 +ATOM 7 CA ILE 4 5.375 -8.648 -2.258 0.000 +ATOM 8 CB ILE 4 6.397 -9.132 -0.888 0.000 +ATOM 9 CA GLN 5 1.689 -9.100 -3.062 0.000 +ATOM 10 CB GLN 5 0.633 -7.673 -1.695 0.000 +ATOM 11 CA TRP 6 2.190 -7.309 -6.376 0.000 +ATOM 12 CB TRP 6 3.630 -6.093 -8.174 0.000 +ATOM 13 CA LEU 7 4.540 -10.029 -7.606 0.000 +ATOM 14 CB LEU 7 5.578 -10.872 -6.202 0.000 +ATOM 15 CA LYS 8 2.166 -10.843 -10.459 0.000 +ATOM 16 CB LYS 8 0.679 -10.313 -8.469 0.000 +ATOM 17 CA ASP 9 3.828 -8.292 -12.734 0.000 +ATOM 18 CB ASP 9 3.084 -6.770 -12.510 0.000 +ATOM 19 CA GLY 10 7.008 -7.957 -10.681 0.000 +ATOM 20 CA GLY 11 8.286 -5.065 -8.574 0.000 +ATOM 21 CA PRO 12 8.097 -2.206 -11.070 0.000 +ATOM 22 CB PRO 12 9.356 -1.767 -10.895 0.000 +ATOM 23 CA SER 13 9.238 -4.431 -13.932 0.000 +ATOM 24 CB SER 13 9.910 -3.931 -14.720 0.000 +ATOM 25 CA SER 14 12.008 -5.983 -11.844 0.000 +ATOM 26 CB SER 14 12.133 -5.313 -10.918 0.000 +ATOM 27 CA GLY 15 11.954 -9.283 -9.961 0.000 +ATOM 28 CA ARG 16 10.337 -10.140 -6.630 0.000 +ATOM 29 CB ARG 16 10.180 -10.982 -3.734 0.000 +ATOM 30 CA PRO 17 10.069 -7.275 -4.148 0.000 +ATOM 31 CB PRO 17 8.874 -7.201 -4.760 0.000 +ATOM 32 CA PRO 18 11.141 -7.894 -0.556 0.000 +ATOM 33 CB PRO 18 12.419 -7.526 -0.758 0.000 +ATOM 34 CA PRO 19 9.746 -4.837 1.218 0.000 +ATOM 35 CB PRO 19 8.764 -5.053 0.325 0.000 +ATOM 36 CA SER 20 10.885 -4.316 4.806 0.000 +ATOM 37 CB SER 20 11.963 -4.643 5.036 0.000 +TER +CONECT 1 3 2 +CONECT 3 5 4 +CONECT 5 7 6 +CONECT 7 9 8 +CONECT 9 11 10 +CONECT 11 13 12 +CONECT 13 15 14 +CONECT 15 17 16 +CONECT 17 19 18 +CONECT 19 20 +CONECT 20 21 +CONECT 21 23 22 +CONECT 23 25 24 +CONECT 25 27 26 +CONECT 27 28 +CONECT 28 30 29 +CONECT 30 32 31 +CONECT 32 34 33 +CONECT 34 36 35 +CONECT 36 37 +ENDMDL diff --git a/examples/unres/CSA/GAB/CSA/global/unrestrained/1l2y_csa@012.pdb b/examples/unres/CSA/GAB/CSA/global/unrestrained/1l2y_csa@012.pdb new file mode 100644 index 0000000..6a3506e --- /dev/null +++ b/examples/unres/CSA/GAB/CSA/global/unrestrained/1l2y_csa@012.pdb @@ -0,0 +1,60 @@ +REMARK GM 12 e 251121 m 636 ENERGY -7.24014E+01 +ATOM 1 CA ASN 1 3.800 0.000 0.000 0.000 +ATOM 2 CB ASN 1 5.285 0.705 0.367 0.000 +ATOM 3 CA LEU 2 5.508 -3.395 0.000 0.000 +ATOM 4 CB LEU 2 5.606 -5.273 -0.471 0.000 +ATOM 5 CA TYR 3 9.239 -2.684 -0.125 0.000 +ATOM 6 CB TYR 3 10.000 -0.648 1.078 0.000 +ATOM 7 CA ILE 4 10.110 -6.326 0.519 0.000 +ATOM 8 CB ILE 4 9.486 -7.176 1.948 0.000 +ATOM 9 CA GLN 5 9.871 -7.096 -3.195 0.000 +ATOM 10 CB GLN 5 8.491 -5.489 -3.922 0.000 +ATOM 11 CA TRP 6 12.132 -4.142 -3.973 0.000 +ATOM 12 CB TRP 6 12.606 -2.168 -2.340 0.000 +ATOM 13 CA LEU 7 14.827 -5.405 -1.612 0.000 +ATOM 14 CB LEU 7 14.471 -6.529 -0.072 0.000 +ATOM 15 CA LYS 8 17.541 -4.421 -4.083 0.000 +ATOM 16 CB LYS 8 15.662 -5.258 -5.575 0.000 +ATOM 17 CA ASP 9 17.859 -0.987 -2.488 0.000 +ATOM 18 CB ASP 9 16.500 -0.064 -2.959 0.000 +ATOM 19 CA GLY 10 15.953 -1.930 0.661 0.000 +ATOM 20 CA GLY 11 13.961 0.188 3.107 0.000 +ATOM 21 CA PRO 12 14.578 3.594 1.538 0.000 +ATOM 22 CB PRO 12 14.312 4.158 2.730 0.000 +ATOM 23 CA SER 13 18.297 2.839 1.346 0.000 +ATOM 24 CB SER 13 19.000 3.694 1.656 0.000 +ATOM 25 CA SER 14 18.297 0.980 4.660 0.000 +ATOM 26 CB SER 14 17.292 1.199 5.174 0.000 +ATOM 27 CA GLY 15 18.280 -2.791 5.127 0.000 +ATOM 28 CA ARG 16 15.459 -5.270 4.551 0.000 +ATOM 29 CB ARG 16 13.323 -7.281 5.272 0.000 +ATOM 30 CA PRO 17 11.932 -3.877 4.798 0.000 +ATOM 31 CB PRO 17 12.220 -3.628 3.508 0.000 +ATOM 32 CA PRO 18 9.306 -5.757 6.800 0.000 +ATOM 33 CB PRO 18 9.564 -5.149 7.971 0.000 +ATOM 34 CA PRO 19 6.174 -3.927 5.667 0.000 +ATOM 35 CB PRO 19 6.885 -3.859 4.527 0.000 +ATOM 36 CA SER 20 3.014 -4.750 7.610 0.000 +ATOM 37 CB SER 20 3.160 -4.969 8.730 0.000 +TER +CONECT 1 3 2 +CONECT 3 5 4 +CONECT 5 7 6 +CONECT 7 9 8 +CONECT 9 11 10 +CONECT 11 13 12 +CONECT 13 15 14 +CONECT 15 17 16 +CONECT 17 19 18 +CONECT 19 20 +CONECT 20 21 +CONECT 21 23 22 +CONECT 23 25 24 +CONECT 25 27 26 +CONECT 27 28 +CONECT 28 30 29 +CONECT 30 32 31 +CONECT 32 34 33 +CONECT 34 36 35 +CONECT 36 37 +ENDMDL diff --git a/examples/unres/CSA/GAB/CSA/global/unrestrained/1l2y_csa@013.pdb b/examples/unres/CSA/GAB/CSA/global/unrestrained/1l2y_csa@013.pdb new file mode 100644 index 0000000..f182550 --- /dev/null +++ b/examples/unres/CSA/GAB/CSA/global/unrestrained/1l2y_csa@013.pdb @@ -0,0 +1,60 @@ +REMARK GM 13 e 253661 m 643 ENERGY -7.33958E+01 +ATOM 1 CA ASN 1 3.800 0.000 0.000 0.000 +ATOM 2 CB ASN 1 5.376 0.436 0.403 0.000 +ATOM 3 CA LEU 2 4.053 -3.792 0.000 0.000 +ATOM 4 CB LEU 2 3.659 -5.347 1.089 0.000 +ATOM 5 CA TYR 3 5.030 -5.054 -3.448 0.000 +ATOM 6 CB TYR 3 5.342 -3.766 -5.550 0.000 +ATOM 7 CA ILE 4 5.221 -8.675 -2.314 0.000 +ATOM 8 CB ILE 4 6.079 -9.172 -0.840 0.000 +ATOM 9 CA GLN 5 1.512 -9.152 -2.985 0.000 +ATOM 10 CB GLN 5 1.011 -9.020 -0.806 0.000 +ATOM 11 CA TRP 6 1.831 -7.137 -6.191 0.000 +ATOM 12 CB TRP 6 2.532 -5.767 -8.293 0.000 +ATOM 13 CA LEU 7 4.755 -9.294 -7.302 0.000 +ATOM 14 CB LEU 7 6.347 -8.243 -6.957 0.000 +ATOM 15 CA LYS 8 2.359 -12.155 -8.017 0.000 +ATOM 16 CB LYS 8 0.933 -11.300 -6.096 0.000 +ATOM 17 CA ASP 9 -0.126 -9.777 -9.634 0.000 +ATOM 18 CB ASP 9 -0.840 -8.793 -8.433 0.000 +ATOM 19 CA GLY 10 2.255 -9.007 -12.494 0.000 +ATOM 20 CA GLY 11 5.520 -7.427 -11.360 0.000 +ATOM 21 CA PRO 12 6.569 -3.781 -11.152 0.000 +ATOM 22 CB PRO 12 7.533 -4.305 -10.374 0.000 +ATOM 23 CA SER 13 6.650 -3.433 -14.935 0.000 +ATOM 24 CB SER 13 7.785 -3.391 -14.757 0.000 +ATOM 25 CA SER 14 2.944 -4.202 -15.280 0.000 +ATOM 26 CB SER 14 3.134 -4.888 -14.376 0.000 +ATOM 27 CA GLY 15 2.371 -1.765 -18.139 0.000 +ATOM 28 CA ARG 16 2.899 1.358 -16.039 0.000 +ATOM 29 CB ARG 16 3.566 -0.051 -13.453 0.000 +ATOM 30 CA PRO 17 6.061 2.701 -14.414 0.000 +ATOM 31 CB PRO 17 5.547 3.827 -14.940 0.000 +ATOM 32 CA PRO 18 6.910 1.737 -10.838 0.000 +ATOM 33 CB PRO 18 7.446 0.604 -11.327 0.000 +ATOM 34 CA PRO 19 9.433 4.551 -10.441 0.000 +ATOM 35 CB PRO 19 8.904 5.051 -11.572 0.000 +ATOM 36 CA SER 20 7.484 6.197 -7.625 0.000 +ATOM 37 CB SER 20 6.460 6.619 -7.935 0.000 +TER +CONECT 1 3 2 +CONECT 3 5 4 +CONECT 5 7 6 +CONECT 7 9 8 +CONECT 9 11 10 +CONECT 11 13 12 +CONECT 13 15 14 +CONECT 15 17 16 +CONECT 17 19 18 +CONECT 19 20 +CONECT 20 21 +CONECT 21 23 22 +CONECT 23 25 24 +CONECT 25 27 26 +CONECT 27 28 +CONECT 28 30 29 +CONECT 30 32 31 +CONECT 32 34 33 +CONECT 34 36 35 +CONECT 36 37 +ENDMDL diff --git a/examples/unres/CSA/GAB/CSA/global/unrestrained/1l2y_csa@014.pdb b/examples/unres/CSA/GAB/CSA/global/unrestrained/1l2y_csa@014.pdb new file mode 100644 index 0000000..e76547f --- /dev/null +++ b/examples/unres/CSA/GAB/CSA/global/unrestrained/1l2y_csa@014.pdb @@ -0,0 +1,62 @@ +REMARK GM 14 e 295608 m 767 ENERGY -7.86744E+01 +SHEET 1 B1 2 GLN 5 LEU 7 0 +SHEET 2 B1 2 GLY 10 PRO 12 -1 N PRO 12 O GLN 5 +ATOM 1 CA ASN 1 3.800 0.000 0.000 0.000 +ATOM 2 CB ASN 1 4.362 0.348 1.549 0.000 +ATOM 3 CA LEU 2 5.650 -3.319 0.000 0.000 +ATOM 4 CB LEU 2 6.835 -4.600 -0.846 0.000 +ATOM 5 CA TYR 3 6.709 -4.424 3.478 0.000 +ATOM 6 CB TYR 3 4.462 -5.404 3.877 0.000 +ATOM 7 CA ILE 4 8.041 -7.733 2.169 0.000 +ATOM 8 CB ILE 4 6.990 -9.123 1.826 0.000 +ATOM 9 CA GLN 5 10.723 -5.946 0.156 0.000 +ATOM 10 CB GLN 5 11.852 -4.352 -0.941 0.000 +ATOM 11 CA TRP 6 11.020 -3.313 2.879 0.000 +ATOM 12 CB TRP 6 12.432 -1.728 4.390 0.000 +ATOM 13 CA LEU 7 11.751 -5.959 5.507 0.000 +ATOM 14 CB LEU 7 9.919 -5.777 6.116 0.000 +ATOM 15 CA LYS 8 13.869 -8.037 3.133 0.000 +ATOM 16 CB LYS 8 12.640 -8.458 0.949 0.000 +ATOM 17 CA ASP 9 16.983 -7.265 5.170 0.000 +ATOM 18 CB ASP 9 18.332 -8.049 4.475 0.000 +ATOM 19 CA GLY 10 15.689 -3.761 5.868 0.000 +ATOM 20 CA GLY 11 15.309 -2.823 2.205 0.000 +ATOM 21 CA PRO 12 15.995 -5.717 -0.160 0.000 +ATOM 22 CB PRO 12 16.319 -4.819 -1.107 0.000 +ATOM 23 CA SER 13 19.294 -6.254 1.648 0.000 +ATOM 24 CB SER 13 20.212 -6.418 0.975 0.000 +ATOM 25 CA SER 14 19.827 -2.547 2.289 0.000 +ATOM 26 CB SER 14 19.130 -1.976 1.575 0.000 +ATOM 27 CA GLY 15 19.173 -0.435 5.380 0.000 +ATOM 28 CA ARG 16 16.326 1.589 3.884 0.000 +ATOM 29 CB ARG 16 14.279 0.631 1.881 0.000 +ATOM 30 CA PRO 17 13.546 3.336 5.798 0.000 +ATOM 31 CB PRO 17 13.491 3.993 4.625 0.000 +ATOM 32 CA PRO 18 10.973 1.119 7.502 0.000 +ATOM 33 CB PRO 18 11.206 1.926 8.552 0.000 +ATOM 34 CA PRO 19 7.462 0.841 6.074 0.000 +ATOM 35 CB PRO 19 7.927 -0.334 5.613 0.000 +ATOM 36 CA SER 20 4.487 1.122 8.421 0.000 +ATOM 37 CB SER 20 4.324 2.257 8.339 0.000 +TER +CONECT 1 3 2 +CONECT 3 5 4 +CONECT 5 7 6 +CONECT 7 9 8 +CONECT 9 11 10 +CONECT 11 13 12 +CONECT 13 15 14 +CONECT 15 17 16 +CONECT 17 19 18 +CONECT 19 20 +CONECT 20 21 +CONECT 21 23 22 +CONECT 23 25 24 +CONECT 25 27 26 +CONECT 27 28 +CONECT 28 30 29 +CONECT 30 32 31 +CONECT 32 34 33 +CONECT 34 36 35 +CONECT 36 37 +ENDMDL diff --git a/examples/unres/CSA/GAB/CSA/global/unrestrained/1l2y_csa@015.pdb b/examples/unres/CSA/GAB/CSA/global/unrestrained/1l2y_csa@015.pdb new file mode 100644 index 0000000..c9b8170 --- /dev/null +++ b/examples/unres/CSA/GAB/CSA/global/unrestrained/1l2y_csa@015.pdb @@ -0,0 +1,61 @@ +REMARK GM 15 e 417870 m 1118 ENERGY -7.87462E+01 +HELIX 1 H1 LEU 2 ASP 9 1 7 +ATOM 1 CA ASN 1 3.800 0.000 0.000 0.000 +ATOM 2 CB ASN 1 5.259 0.817 0.200 0.000 +ATOM 3 CA LEU 2 5.436 -3.430 0.000 0.000 +ATOM 4 CB LEU 2 5.653 -5.221 -0.711 0.000 +ATOM 5 CA TYR 3 8.850 -1.914 -0.701 0.000 +ATOM 6 CB TYR 3 9.659 -3.818 -2.077 0.000 +ATOM 7 CA ILE 4 9.233 -0.876 2.934 0.000 +ATOM 8 CB ILE 4 8.799 0.742 3.523 0.000 +ATOM 9 CA GLN 5 8.019 -4.298 4.055 0.000 +ATOM 10 CB GLN 5 7.125 -6.226 3.347 0.000 +ATOM 11 CA TRP 6 10.525 -5.939 1.716 0.000 +ATOM 12 CB TRP 6 9.854 -7.574 -0.197 0.000 +ATOM 13 CA LEU 7 13.251 -3.553 2.865 0.000 +ATOM 14 CB LEU 7 13.505 -1.851 1.972 0.000 +ATOM 15 CA LYS 8 12.362 -4.250 6.494 0.000 +ATOM 16 CB LYS 8 10.530 -2.545 6.932 0.000 +ATOM 17 CA ASP 9 12.341 -8.004 5.904 0.000 +ATOM 18 CB ASP 9 12.457 -8.132 4.204 0.000 +ATOM 19 CA GLY 10 16.119 -8.240 6.243 0.000 +ATOM 20 CA GLY 11 16.780 -8.667 2.526 0.000 +ATOM 21 CA PRO 12 16.820 -6.906 -0.841 0.000 +ATOM 22 CB PRO 12 16.822 -8.063 -1.527 0.000 +ATOM 23 CA SER 13 14.076 -5.194 -2.835 0.000 +ATOM 24 CB SER 13 13.636 -4.432 -2.095 0.000 +ATOM 25 CA SER 14 14.102 -3.037 -5.964 0.000 +ATOM 26 CB SER 14 14.580 -3.524 -6.889 0.000 +ATOM 27 CA GLY 15 10.655 -2.460 -7.455 0.000 +ATOM 28 CA ARG 16 10.017 -6.110 -8.295 0.000 +ATOM 29 CB ARG 16 12.540 -6.689 -6.739 0.000 +ATOM 30 CA PRO 17 9.455 -8.837 -5.708 0.000 +ATOM 31 CB PRO 17 8.745 -9.398 -6.704 0.000 +ATOM 32 CA PRO 18 12.409 -10.753 -4.279 0.000 +ATOM 33 CB PRO 18 12.662 -9.679 -3.509 0.000 +ATOM 34 CA PRO 19 10.433 -13.542 -2.620 0.000 +ATOM 35 CB PRO 19 9.690 -13.348 -3.724 0.000 +ATOM 36 CA SER 20 12.432 -15.808 -0.316 0.000 +ATOM 37 CB SER 20 13.276 -15.290 0.269 0.000 +TER +CONECT 1 3 2 +CONECT 3 5 4 +CONECT 5 7 6 +CONECT 7 9 8 +CONECT 9 11 10 +CONECT 11 13 12 +CONECT 13 15 14 +CONECT 15 17 16 +CONECT 17 19 18 +CONECT 19 20 +CONECT 20 21 +CONECT 21 23 22 +CONECT 23 25 24 +CONECT 25 27 26 +CONECT 27 28 +CONECT 28 30 29 +CONECT 30 32 31 +CONECT 32 34 33 +CONECT 34 36 35 +CONECT 36 37 +ENDMDL diff --git a/examples/unres/CSA/GAB/CSA/global/unrestrained/1l2y_csa@016.pdb b/examples/unres/CSA/GAB/CSA/global/unrestrained/1l2y_csa@016.pdb new file mode 100644 index 0000000..5a26c11 --- /dev/null +++ b/examples/unres/CSA/GAB/CSA/global/unrestrained/1l2y_csa@016.pdb @@ -0,0 +1,61 @@ +REMARK GM 16 e 431972 m 1164 ENERGY -7.96197E+01 +HELIX 1 H1 LEU 2 GLY 10 1 8 +ATOM 1 CA ASN 1 3.800 0.000 0.000 0.000 +ATOM 2 CB ASN 1 5.251 0.824 0.227 0.000 +ATOM 3 CA LEU 2 5.421 -3.437 0.000 0.000 +ATOM 4 CB LEU 2 5.623 -5.278 -0.573 0.000 +ATOM 5 CA TYR 3 8.811 -1.954 -0.865 0.000 +ATOM 6 CB TYR 3 9.525 -3.988 -2.100 0.000 +ATOM 7 CA ILE 4 9.358 -0.963 2.763 0.000 +ATOM 8 CB ILE 4 8.877 0.591 3.475 0.000 +ATOM 9 CA GLN 5 8.365 -4.470 3.837 0.000 +ATOM 10 CB GLN 5 6.222 -3.826 3.930 0.000 +ATOM 11 CA TRP 6 10.604 -5.925 1.133 0.000 +ATOM 12 CB TRP 6 11.953 -7.566 -0.374 0.000 +ATOM 13 CA LEU 7 13.392 -3.521 2.075 0.000 +ATOM 14 CB LEU 7 13.264 -2.531 0.413 0.000 +ATOM 15 CA LYS 8 12.935 -4.367 5.751 0.000 +ATOM 16 CB LYS 8 11.673 -2.306 6.535 0.000 +ATOM 17 CA ASP 9 12.801 -8.089 5.000 0.000 +ATOM 18 CB ASP 9 11.334 -8.311 4.151 0.000 +ATOM 19 CA GLY 10 16.531 -8.180 4.282 0.000 +ATOM 20 CA GLY 11 16.138 -8.397 0.508 0.000 +ATOM 21 CA PRO 12 18.287 -7.402 -2.463 0.000 +ATOM 22 CB PRO 12 17.320 -7.990 -3.190 0.000 +ATOM 23 CA SER 13 18.284 -3.654 -1.836 0.000 +ATOM 24 CB SER 13 17.575 -3.945 -0.978 0.000 +ATOM 25 CA SER 14 20.831 -2.946 -4.566 0.000 +ATOM 26 CB SER 14 21.191 -3.870 -5.147 0.000 +ATOM 27 CA GLY 15 18.170 -1.808 -7.029 0.000 +ATOM 28 CA ARG 16 14.785 -2.202 -5.349 0.000 +ATOM 29 CB ARG 16 11.792 -1.921 -5.052 0.000 +ATOM 30 CA PRO 17 13.366 -5.723 -5.162 0.000 +ATOM 31 CB PRO 17 13.802 -5.533 -3.904 0.000 +ATOM 32 CA PRO 18 10.162 -6.520 -7.044 0.000 +ATOM 33 CB PRO 18 10.788 -7.656 -7.400 0.000 +ATOM 34 CA PRO 19 6.885 -7.087 -5.206 0.000 +ATOM 35 CB PRO 19 6.917 -5.743 -5.192 0.000 +ATOM 36 CA SER 20 4.685 -9.965 -6.356 0.000 +ATOM 37 CB SER 20 4.117 -10.515 -5.521 0.000 +TER +CONECT 1 3 2 +CONECT 3 5 4 +CONECT 5 7 6 +CONECT 7 9 8 +CONECT 9 11 10 +CONECT 11 13 12 +CONECT 13 15 14 +CONECT 15 17 16 +CONECT 17 19 18 +CONECT 19 20 +CONECT 20 21 +CONECT 21 23 22 +CONECT 23 25 24 +CONECT 25 27 26 +CONECT 27 28 +CONECT 28 30 29 +CONECT 30 32 31 +CONECT 32 34 33 +CONECT 34 36 35 +CONECT 36 37 +ENDMDL diff --git a/examples/unres/CSA/GAB/CSA/global/unrestrained/1l2y_csa@017.pdb b/examples/unres/CSA/GAB/CSA/global/unrestrained/1l2y_csa@017.pdb new file mode 100644 index 0000000..2d202f1 --- /dev/null +++ b/examples/unres/CSA/GAB/CSA/global/unrestrained/1l2y_csa@017.pdb @@ -0,0 +1,61 @@ +REMARK GM 17 e 597485 m 1680 ENERGY -8.02555E+01 +HELIX 1 H1 TYR 3 GLY 10 1 7 +ATOM 1 CA ASN 1 3.800 0.000 0.000 0.000 +ATOM 2 CB ASN 1 5.245 0.780 0.372 0.000 +ATOM 3 CA LEU 2 5.371 -3.460 0.000 0.000 +ATOM 4 CB LEU 2 5.884 -5.299 -0.338 0.000 +ATOM 5 CA TYR 3 8.670 -2.091 -1.297 0.000 +ATOM 6 CB TYR 3 9.482 -3.936 -2.749 0.000 +ATOM 7 CA ILE 4 9.797 -1.285 2.241 0.000 +ATOM 8 CB ILE 4 9.592 0.271 3.071 0.000 +ATOM 9 CA GLN 5 8.706 -4.740 3.388 0.000 +ATOM 10 CB GLN 5 6.687 -3.937 3.931 0.000 +ATOM 11 CA TRP 6 10.214 -6.271 0.254 0.000 +ATOM 12 CB TRP 6 10.487 -8.249 -1.420 0.000 +ATOM 13 CA LEU 7 13.433 -4.336 0.827 0.000 +ATOM 14 CB LEU 7 13.273 -2.840 -0.397 0.000 +ATOM 15 CA LYS 8 13.450 -5.428 4.467 0.000 +ATOM 16 CB LYS 8 12.512 -3.297 5.485 0.000 +ATOM 17 CA ASP 9 12.856 -9.037 3.438 0.000 +ATOM 18 CB ASP 9 11.230 -9.179 2.928 0.000 +ATOM 19 CA GLY 10 16.046 -9.078 1.374 0.000 +ATOM 20 CA GLY 11 14.325 -10.074 -1.864 0.000 +ATOM 21 CA PRO 12 14.710 -9.001 -5.489 0.000 +ATOM 22 CB PRO 12 13.480 -9.383 -5.877 0.000 +ATOM 23 CA SER 13 13.960 -5.288 -5.178 0.000 +ATOM 24 CB SER 13 13.770 -5.558 -4.076 0.000 +ATOM 25 CA SER 14 14.899 -4.550 -8.785 0.000 +ATOM 26 CB SER 14 15.240 -5.465 -9.393 0.000 +ATOM 27 CA GLY 15 11.288 -4.498 -9.967 0.000 +ATOM 28 CA ARG 16 8.394 -6.062 -8.065 0.000 +ATOM 29 CB ARG 16 6.077 -7.741 -9.030 0.000 +ATOM 30 CA PRO 17 8.544 -9.252 -6.005 0.000 +ATOM 31 CB PRO 17 7.841 -8.454 -5.181 0.000 +ATOM 32 CA PRO 18 8.172 -12.553 -7.850 0.000 +ATOM 33 CB PRO 18 9.325 -12.841 -7.221 0.000 +ATOM 34 CA PRO 19 4.996 -14.576 -7.339 0.000 +ATOM 35 CB PRO 19 4.486 -13.556 -8.054 0.000 +ATOM 36 CA SER 20 5.402 -18.338 -6.995 0.000 +ATOM 37 CB SER 20 4.688 -18.864 -6.263 0.000 +TER +CONECT 1 3 2 +CONECT 3 5 4 +CONECT 5 7 6 +CONECT 7 9 8 +CONECT 9 11 10 +CONECT 11 13 12 +CONECT 13 15 14 +CONECT 15 17 16 +CONECT 17 19 18 +CONECT 19 20 +CONECT 20 21 +CONECT 21 23 22 +CONECT 23 25 24 +CONECT 25 27 26 +CONECT 27 28 +CONECT 28 30 29 +CONECT 30 32 31 +CONECT 32 34 33 +CONECT 34 36 35 +CONECT 36 37 +ENDMDL diff --git a/examples/unres/CSA/GAB/CSA/global/unrestrained/1l2y_csa@018.pdb b/examples/unres/CSA/GAB/CSA/global/unrestrained/1l2y_csa@018.pdb new file mode 100644 index 0000000..4029e01 --- /dev/null +++ b/examples/unres/CSA/GAB/CSA/global/unrestrained/1l2y_csa@018.pdb @@ -0,0 +1,60 @@ +REMARK GM 18 e 700421 m 1997 ENERGY -8.38046E+01 +ATOM 1 CA ASN 1 3.800 0.000 0.000 0.000 +ATOM 2 CB ASN 1 4.256 1.447 0.730 0.000 +ATOM 3 CA LEU 2 4.040 -3.792 0.000 0.000 +ATOM 4 CB LEU 2 5.804 -4.494 0.399 0.000 +ATOM 5 CA TYR 3 1.092 -6.104 -0.633 0.000 +ATOM 6 CB TYR 3 -1.294 -5.587 -1.090 0.000 +ATOM 7 CA ILE 4 3.269 -9.197 -0.263 0.000 +ATOM 8 CB ILE 4 4.825 -9.345 -1.106 0.000 +ATOM 9 CA GLN 5 2.899 -9.061 3.516 0.000 +ATOM 10 CB GLN 5 3.443 -6.902 3.755 0.000 +ATOM 11 CA TRP 6 -0.818 -8.384 3.108 0.000 +ATOM 12 CB TRP 6 -2.922 -7.024 2.395 0.000 +ATOM 13 CA LEU 7 -1.093 -11.283 0.666 0.000 +ATOM 14 CB LEU 7 -1.567 -10.298 -0.935 0.000 +ATOM 15 CA LYS 8 -0.227 -13.714 3.455 0.000 +ATOM 16 CB LYS 8 1.701 -12.343 4.384 0.000 +ATOM 17 CA ASP 9 -2.366 -11.765 5.918 0.000 +ATOM 18 CB ASP 9 -1.354 -10.423 6.228 0.000 +ATOM 19 CA GLY 10 -5.564 -12.694 4.088 0.000 +ATOM 20 CA GLY 11 -5.962 -11.632 0.461 0.000 +ATOM 21 CA PRO 12 -5.463 -8.145 -0.964 0.000 +ATOM 22 CB PRO 12 -6.132 -8.141 -2.131 0.000 +ATOM 23 CA SER 13 -8.434 -6.700 0.914 0.000 +ATOM 24 CB SER 13 -8.766 -6.080 0.004 0.000 +ATOM 25 CA SER 14 -6.778 -7.284 4.284 0.000 +ATOM 26 CB SER 14 -6.524 -8.318 3.847 0.000 +ATOM 27 CA GLY 15 -6.458 -3.582 5.076 0.000 +ATOM 28 CA ARG 16 -4.560 -2.603 1.933 0.000 +ATOM 29 CB ARG 16 -1.612 -3.260 1.975 0.000 +ATOM 30 CA PRO 17 -5.767 -1.704 -1.556 0.000 +ATOM 31 CB PRO 17 -4.506 -1.240 -1.612 0.000 +ATOM 32 CA PRO 18 -7.091 -4.385 -3.901 0.000 +ATOM 33 CB PRO 18 -8.095 -3.511 -4.091 0.000 +ATOM 34 CA PRO 19 -4.919 -5.427 -6.840 0.000 +ATOM 35 CB PRO 19 -4.220 -5.973 -5.828 0.000 +ATOM 36 CA SER 20 -6.685 -6.046 -10.147 0.000 +ATOM 37 CB SER 20 -6.222 -5.432 -11.003 0.000 +TER +CONECT 1 3 2 +CONECT 3 5 4 +CONECT 5 7 6 +CONECT 7 9 8 +CONECT 9 11 10 +CONECT 11 13 12 +CONECT 13 15 14 +CONECT 15 17 16 +CONECT 17 19 18 +CONECT 19 20 +CONECT 20 21 +CONECT 21 23 22 +CONECT 23 25 24 +CONECT 25 27 26 +CONECT 27 28 +CONECT 28 30 29 +CONECT 30 32 31 +CONECT 32 34 33 +CONECT 34 36 35 +CONECT 36 37 +ENDMDL diff --git a/examples/unres/CSA/GAB/CSA/global/unrestrained/1l2y_csa@019.pdb b/examples/unres/CSA/GAB/CSA/global/unrestrained/1l2y_csa@019.pdb new file mode 100644 index 0000000..e0c8918 --- /dev/null +++ b/examples/unres/CSA/GAB/CSA/global/unrestrained/1l2y_csa@019.pdb @@ -0,0 +1,60 @@ +REMARK GM 19 e 965794 m 2838 ENERGY -8.41936E+01 +ATOM 1 CA ASN 1 3.800 0.000 0.000 0.000 +ATOM 2 CB ASN 1 4.321 0.337 1.565 0.000 +ATOM 3 CA LEU 2 5.616 -3.338 0.000 0.000 +ATOM 4 CB LEU 2 5.936 -5.130 -0.669 0.000 +ATOM 5 CA TYR 3 8.977 -3.276 1.773 0.000 +ATOM 6 CB TYR 3 8.539 -1.091 2.871 0.000 +ATOM 7 CA ILE 4 11.209 -6.254 2.539 0.000 +ATOM 8 CB ILE 4 12.745 -6.598 1.716 0.000 +ATOM 9 CA GLN 5 9.070 -7.243 5.520 0.000 +ATOM 10 CB GLN 5 8.454 -5.629 6.945 0.000 +ATOM 11 CA TRP 6 6.119 -7.872 3.210 0.000 +ATOM 12 CB TRP 6 5.964 -5.338 3.795 0.000 +ATOM 13 CA LEU 7 8.432 -9.493 0.668 0.000 +ATOM 14 CB LEU 7 9.921 -9.504 -0.574 0.000 +ATOM 15 CA LYS 8 9.587 -12.001 3.279 0.000 +ATOM 16 CB LYS 8 11.643 -10.733 4.068 0.000 +ATOM 17 CA ASP 9 6.024 -13.172 3.888 0.000 +ATOM 18 CB ASP 9 4.929 -11.886 4.149 0.000 +ATOM 19 CA GLY 10 6.582 -16.245 1.723 0.000 +ATOM 20 CA GLY 11 9.659 -15.089 -0.184 0.000 +ATOM 21 CA PRO 12 7.786 -12.623 -2.386 0.000 +ATOM 22 CB PRO 12 8.345 -13.128 -3.500 0.000 +ATOM 23 CA SER 13 4.441 -14.300 -1.723 0.000 +ATOM 24 CB SER 13 4.912 -15.348 -1.759 0.000 +ATOM 25 CA SER 14 3.189 -11.537 0.565 0.000 +ATOM 26 CB SER 14 3.942 -10.672 0.648 0.000 +ATOM 27 CA GLY 15 0.179 -9.799 -0.971 0.000 +ATOM 28 CA ARG 16 2.166 -6.960 -2.531 0.000 +ATOM 29 CB ARG 16 2.012 -3.969 -2.142 0.000 +ATOM 30 CA PRO 17 4.870 -6.952 -5.201 0.000 +ATOM 31 CB PRO 17 4.499 -5.660 -5.258 0.000 +ATOM 32 CA PRO 18 8.344 -8.157 -4.242 0.000 +ATOM 33 CB PRO 18 8.172 -8.984 -5.289 0.000 +ATOM 34 CA PRO 19 11.261 -5.736 -3.979 0.000 +ATOM 35 CB PRO 19 10.680 -5.378 -2.819 0.000 +ATOM 36 CA SER 20 13.688 -8.118 -5.674 0.000 +ATOM 37 CB SER 20 13.379 -9.211 -5.493 0.000 +TER +CONECT 1 3 2 +CONECT 3 5 4 +CONECT 5 7 6 +CONECT 7 9 8 +CONECT 9 11 10 +CONECT 11 13 12 +CONECT 13 15 14 +CONECT 15 17 16 +CONECT 17 19 18 +CONECT 19 20 +CONECT 20 21 +CONECT 21 23 22 +CONECT 23 25 24 +CONECT 25 27 26 +CONECT 27 28 +CONECT 28 30 29 +CONECT 30 32 31 +CONECT 32 34 33 +CONECT 34 36 35 +CONECT 36 37 +ENDMDL diff --git a/examples/unres/CSA/GAB/CSA/global/unrestrained/1l2y_csa@020.pdb b/examples/unres/CSA/GAB/CSA/global/unrestrained/1l2y_csa@020.pdb new file mode 100644 index 0000000..7c5ff17 --- /dev/null +++ b/examples/unres/CSA/GAB/CSA/global/unrestrained/1l2y_csa@020.pdb @@ -0,0 +1,60 @@ +REMARK GM 20 e 1078117 m 3185 ENERGY -8.45522E+01 +ATOM 1 CA ASN 1 3.800 0.000 0.000 0.000 +ATOM 2 CB ASN 1 5.226 0.710 0.545 0.000 +ATOM 3 CA LEU 2 5.413 -3.440 0.000 0.000 +ATOM 4 CB LEU 2 5.318 -5.377 -0.040 0.000 +ATOM 5 CA TYR 3 9.151 -3.349 -0.682 0.000 +ATOM 6 CB TYR 3 9.395 -0.878 -0.627 0.000 +ATOM 7 CA ILE 4 11.661 -6.201 -0.724 0.000 +ATOM 8 CB ILE 4 12.347 -6.905 -2.203 0.000 +ATOM 9 CA GLN 5 12.000 -6.112 3.060 0.000 +ATOM 10 CB GLN 5 12.229 -4.133 4.086 0.000 +ATOM 11 CA TRP 6 8.298 -6.884 3.433 0.000 +ATOM 12 CB TRP 6 8.313 -4.303 3.079 0.000 +ATOM 13 CA LEU 7 8.496 -9.362 0.560 0.000 +ATOM 14 CB LEU 7 8.787 -9.798 -1.307 0.000 +ATOM 15 CA LYS 8 11.294 -11.236 2.319 0.000 +ATOM 16 CB LYS 8 13.297 -10.122 1.224 0.000 +ATOM 17 CA ASP 9 9.139 -11.821 5.395 0.000 +ATOM 18 CB ASP 9 8.361 -10.441 6.035 0.000 +ATOM 19 CA GLY 10 8.394 -15.378 4.287 0.000 +ATOM 20 CA GLY 11 9.329 -15.081 0.616 0.000 +ATOM 21 CA PRO 12 6.268 -13.046 -0.346 0.000 +ATOM 22 CB PRO 12 5.936 -13.918 -1.314 0.000 +ATOM 23 CA SER 13 4.364 -14.112 2.766 0.000 +ATOM 24 CB SER 13 4.761 -15.190 2.719 0.000 +ATOM 25 CA SER 14 4.745 -10.752 4.500 0.000 +ATOM 26 CB SER 14 5.247 -9.958 3.837 0.000 +ATOM 27 CA GLY 15 1.236 -9.374 4.981 0.000 +ATOM 28 CA ARG 16 1.214 -7.339 1.772 0.000 +ATOM 29 CB ARG 16 1.488 -4.341 1.529 0.000 +ATOM 30 CA PRO 17 1.570 -8.239 -1.903 0.000 +ATOM 31 CB PRO 17 1.034 -7.012 -2.027 0.000 +ATOM 32 CA PRO 18 5.022 -9.091 -3.245 0.000 +ATOM 33 CB PRO 18 4.408 -10.246 -3.560 0.000 +ATOM 34 CA PRO 19 6.765 -6.622 -5.548 0.000 +ATOM 35 CB PRO 19 7.483 -6.288 -4.461 0.000 +ATOM 36 CA SER 20 8.223 -9.363 -7.739 0.000 +ATOM 37 CB SER 20 8.320 -10.372 -7.196 0.000 +TER +CONECT 1 3 2 +CONECT 3 5 4 +CONECT 5 7 6 +CONECT 7 9 8 +CONECT 9 11 10 +CONECT 11 13 12 +CONECT 13 15 14 +CONECT 15 17 16 +CONECT 17 19 18 +CONECT 19 20 +CONECT 20 21 +CONECT 21 23 22 +CONECT 23 25 24 +CONECT 25 27 26 +CONECT 27 28 +CONECT 28 30 29 +CONECT 30 32 31 +CONECT 32 34 33 +CONECT 34 36 35 +CONECT 36 37 +ENDMDL diff --git a/examples/unres/CSA/GAB/CSA/global/unrestrained/1l2y_csa@021.pdb b/examples/unres/CSA/GAB/CSA/global/unrestrained/1l2y_csa@021.pdb new file mode 100644 index 0000000..e936295 --- /dev/null +++ b/examples/unres/CSA/GAB/CSA/global/unrestrained/1l2y_csa@021.pdb @@ -0,0 +1,61 @@ +REMARK GM 21 e 1110077 m 3289 ENERGY -8.51711E+01 +HELIX 1 H1 TYR 3 GLY 10 1 7 +ATOM 1 CA ASN 1 3.800 0.000 0.000 0.000 +ATOM 2 CB ASN 1 5.266 0.744 0.363 0.000 +ATOM 3 CA LEU 2 5.512 -3.392 0.000 0.000 +ATOM 4 CB LEU 2 5.574 -5.251 -0.550 0.000 +ATOM 5 CA TYR 3 9.254 -2.743 0.151 0.000 +ATOM 6 CB TYR 3 9.805 -0.634 1.342 0.000 +ATOM 7 CA ILE 4 10.037 -6.404 0.807 0.000 +ATOM 8 CB ILE 4 9.090 -7.398 1.933 0.000 +ATOM 9 CA GLN 5 9.587 -7.139 -2.894 0.000 +ATOM 10 CB GLN 5 8.334 -5.668 -4.028 0.000 +ATOM 11 CA TRP 6 11.839 -4.182 -3.685 0.000 +ATOM 12 CB TRP 6 12.143 -1.967 -2.348 0.000 +ATOM 13 CA LEU 7 14.404 -5.597 -1.264 0.000 +ATOM 14 CB LEU 7 14.988 -4.648 0.322 0.000 +ATOM 15 CA LYS 8 14.469 -8.832 -3.256 0.000 +ATOM 16 CB LYS 8 12.956 -9.825 -1.473 0.000 +ATOM 17 CA ASP 9 14.665 -6.933 -6.542 0.000 +ATOM 18 CB ASP 9 14.088 -5.326 -6.477 0.000 +ATOM 19 CA GLY 10 18.179 -5.711 -5.768 0.000 +ATOM 20 CA GLY 11 18.724 -3.771 -2.547 0.000 +ATOM 21 CA PRO 12 16.297 -0.929 -3.237 0.000 +ATOM 22 CB PRO 12 16.295 -0.586 -1.936 0.000 +ATOM 23 CA SER 13 16.622 -1.026 -7.022 0.000 +ATOM 24 CB SER 13 16.627 -2.088 -7.463 0.000 +ATOM 25 CA SER 14 12.954 -0.178 -7.538 0.000 +ATOM 26 CB SER 14 12.357 -0.600 -6.650 0.000 +ATOM 27 CA GLY 15 11.151 3.166 -7.631 0.000 +ATOM 28 CA ARG 16 10.129 3.100 -3.972 0.000 +ATOM 29 CB ARG 16 9.108 0.337 -3.306 0.000 +ATOM 30 CA PRO 17 11.717 4.583 -0.854 0.000 +ATOM 31 CB PRO 17 10.526 4.229 -0.340 0.000 +ATOM 32 CA PRO 18 14.898 3.059 0.560 0.000 +ATOM 33 CB PRO 18 15.287 4.334 0.741 0.000 +ATOM 34 CA PRO 19 14.666 1.130 3.826 0.000 +ATOM 35 CB PRO 19 14.142 0.243 2.962 0.000 +ATOM 36 CA SER 20 17.445 1.637 6.368 0.000 +ATOM 37 CB SER 20 17.078 2.497 7.036 0.000 +TER +CONECT 1 3 2 +CONECT 3 5 4 +CONECT 5 7 6 +CONECT 7 9 8 +CONECT 9 11 10 +CONECT 11 13 12 +CONECT 13 15 14 +CONECT 15 17 16 +CONECT 17 19 18 +CONECT 19 20 +CONECT 20 21 +CONECT 21 23 22 +CONECT 23 25 24 +CONECT 25 27 26 +CONECT 27 28 +CONECT 28 30 29 +CONECT 30 32 31 +CONECT 32 34 33 +CONECT 34 36 35 +CONECT 36 37 +ENDMDL diff --git a/examples/unres/CSA/GAB/CSA/global/unrestrained/1l2y_csa@022.pdb b/examples/unres/CSA/GAB/CSA/global/unrestrained/1l2y_csa@022.pdb new file mode 100644 index 0000000..8f33d3f --- /dev/null +++ b/examples/unres/CSA/GAB/CSA/global/unrestrained/1l2y_csa@022.pdb @@ -0,0 +1,60 @@ +REMARK GM 22 e 1241940 m 3700 ENERGY -8.54199E+01 +ATOM 1 CA ASN 1 3.800 0.000 0.000 0.000 +ATOM 2 CB ASN 1 4.354 0.234 1.573 0.000 +ATOM 3 CA LEU 2 4.046 -3.792 0.000 0.000 +ATOM 4 CB LEU 2 4.412 -5.550 0.731 0.000 +ATOM 5 CA TYR 3 1.248 -4.158 -2.545 0.000 +ATOM 6 CB TYR 3 -0.311 -2.448 -3.447 0.000 +ATOM 7 CA ILE 4 1.886 -7.880 -2.968 0.000 +ATOM 8 CB ILE 4 3.518 -8.526 -3.241 0.000 +ATOM 9 CA GLN 5 -0.337 -8.641 0.018 0.000 +ATOM 10 CB GLN 5 0.270 -7.201 1.623 0.000 +ATOM 11 CA TRP 6 -2.925 -6.200 -1.318 0.000 +ATOM 12 CB TRP 6 -3.893 -3.862 -1.934 0.000 +ATOM 13 CA LEU 7 -2.699 -7.812 -4.752 0.000 +ATOM 14 CB LEU 7 -1.888 -6.330 -5.703 0.000 +ATOM 15 CA LYS 8 -4.257 -10.988 -3.365 0.000 +ATOM 16 CB LYS 8 -2.757 -11.042 -1.314 0.000 +ATOM 17 CA ASP 9 -6.672 -8.962 -1.244 0.000 +ATOM 18 CB ASP 9 -5.624 -8.449 0.005 0.000 +ATOM 19 CA GLY 10 -8.488 -7.654 -4.315 0.000 +ATOM 20 CA GLY 11 -6.525 -5.593 -6.832 0.000 +ATOM 21 CA PRO 12 -4.315 -2.595 -6.076 0.000 +ATOM 22 CB PRO 12 -4.165 -1.954 -7.249 0.000 +ATOM 23 CA SER 13 -7.243 -0.387 -5.078 0.000 +ATOM 24 CB SER 13 -6.763 0.530 -5.579 0.000 +ATOM 25 CA SER 14 -8.089 -2.595 -2.104 0.000 +ATOM 26 CB SER 14 -7.952 -3.460 -2.849 0.000 +ATOM 27 CA GLY 15 -7.203 0.063 0.464 0.000 +ATOM 28 CA ARG 16 -3.642 0.675 -0.711 0.000 +ATOM 29 CB ARG 16 -1.551 -1.369 0.044 0.000 +ATOM 30 CA PRO 17 -2.267 2.964 -3.415 0.000 +ATOM 31 CB PRO 17 -1.134 2.672 -2.751 0.000 +ATOM 32 CA PRO 18 -2.766 2.117 -7.086 0.000 +ATOM 33 CB PRO 18 -3.151 3.403 -7.178 0.000 +ATOM 34 CA PRO 19 0.235 0.944 -9.100 0.000 +ATOM 35 CB PRO 19 0.038 -0.135 -8.322 0.000 +ATOM 36 CA SER 20 0.546 2.263 -12.650 0.000 +ATOM 37 CB SER 20 1.613 2.477 -13.023 0.000 +TER +CONECT 1 3 2 +CONECT 3 5 4 +CONECT 5 7 6 +CONECT 7 9 8 +CONECT 9 11 10 +CONECT 11 13 12 +CONECT 13 15 14 +CONECT 15 17 16 +CONECT 17 19 18 +CONECT 19 20 +CONECT 20 21 +CONECT 21 23 22 +CONECT 23 25 24 +CONECT 25 27 26 +CONECT 27 28 +CONECT 28 30 29 +CONECT 30 32 31 +CONECT 32 34 33 +CONECT 34 36 35 +CONECT 36 37 +ENDMDL diff --git a/examples/unres/CSA/GAB/CSA/global/unrestrained/1l2y_csa@023.pdb b/examples/unres/CSA/GAB/CSA/global/unrestrained/1l2y_csa@023.pdb new file mode 100644 index 0000000..3ece7b3 --- /dev/null +++ b/examples/unres/CSA/GAB/CSA/global/unrestrained/1l2y_csa@023.pdb @@ -0,0 +1,60 @@ +REMARK GM 23 e 1600668 m 4859 ENERGY -8.60202E+01 +ATOM 1 CA ASN 1 3.800 0.000 0.000 0.000 +ATOM 2 CB ASN 1 4.354 0.241 1.572 0.000 +ATOM 3 CA LEU 2 4.046 -3.792 0.000 0.000 +ATOM 4 CB LEU 2 3.985 -5.687 0.406 0.000 +ATOM 5 CA TYR 3 1.221 -4.106 -2.523 0.000 +ATOM 6 CB TYR 3 -0.240 -5.993 -1.835 0.000 +ATOM 7 CA ILE 4 3.682 -4.091 -5.418 0.000 +ATOM 8 CB ILE 4 4.114 -2.623 -6.319 0.000 +ATOM 9 CA GLN 5 5.850 -6.652 -3.634 0.000 +ATOM 10 CB GLN 5 7.120 -5.035 -2.745 0.000 +ATOM 11 CA TRP 6 2.753 -8.572 -2.555 0.000 +ATOM 12 CB TRP 6 1.028 -10.345 -1.739 0.000 +ATOM 13 CA LEU 7 1.412 -8.659 -6.109 0.000 +ATOM 14 CB LEU 7 0.245 -7.113 -6.186 0.000 +ATOM 15 CA LYS 8 4.688 -10.064 -7.426 0.000 +ATOM 16 CB LYS 8 5.619 -9.569 -5.114 0.000 +ATOM 17 CA ASP 9 2.760 -13.164 -8.483 0.000 +ATOM 18 CB ASP 9 3.824 -14.173 -9.360 0.000 +ATOM 19 CA GLY 10 0.675 -13.002 -5.310 0.000 +ATOM 20 CA GLY 11 3.641 -13.038 -2.935 0.000 +ATOM 21 CA PRO 12 7.043 -13.012 -4.628 0.000 +ATOM 22 CB PRO 12 7.517 -13.825 -3.667 0.000 +ATOM 23 CA SER 13 6.009 -15.688 -7.120 0.000 +ATOM 24 CB SER 13 6.785 -16.514 -7.318 0.000 +ATOM 25 CA SER 14 3.958 -17.578 -4.539 0.000 +ATOM 26 CB SER 14 4.333 -17.189 -3.524 0.000 +ATOM 27 CA GLY 15 0.266 -17.579 -3.640 0.000 +ATOM 28 CA ARG 16 0.737 -16.093 -0.174 0.000 +ATOM 29 CB ARG 16 2.255 -13.576 0.519 0.000 +ATOM 30 CA PRO 17 -1.871 -14.544 2.115 0.000 +ATOM 31 CB PRO 17 -0.965 -14.964 3.015 0.000 +ATOM 32 CA PRO 18 -3.204 -11.102 1.211 0.000 +ATOM 33 CB PRO 18 -4.390 -11.649 1.534 0.000 +ATOM 34 CA PRO 19 -1.937 -8.132 3.214 0.000 +ATOM 35 CB PRO 19 -0.808 -8.328 2.509 0.000 +ATOM 36 CA SER 20 -5.391 -6.591 3.583 0.000 +ATOM 37 CB SER 20 -6.131 -6.931 2.771 0.000 +TER +CONECT 1 3 2 +CONECT 3 5 4 +CONECT 5 7 6 +CONECT 7 9 8 +CONECT 9 11 10 +CONECT 11 13 12 +CONECT 13 15 14 +CONECT 15 17 16 +CONECT 17 19 18 +CONECT 19 20 +CONECT 20 21 +CONECT 21 23 22 +CONECT 23 25 24 +CONECT 25 27 26 +CONECT 27 28 +CONECT 28 30 29 +CONECT 30 32 31 +CONECT 32 34 33 +CONECT 34 36 35 +CONECT 36 37 +ENDMDL diff --git a/examples/unres/CSA/GAB/CSA/global/unrestrained/1l2y_csa@024.pdb b/examples/unres/CSA/GAB/CSA/global/unrestrained/1l2y_csa@024.pdb new file mode 100644 index 0000000..64822ec --- /dev/null +++ b/examples/unres/CSA/GAB/CSA/global/unrestrained/1l2y_csa@024.pdb @@ -0,0 +1,61 @@ +REMARK GM 24 e 1727758 m 5270 ENERGY -8.94898E+01 +HELIX 1 H1 LEU 2 GLY 10 1 8 +ATOM 1 CA ASN 1 3.800 0.000 0.000 0.000 +ATOM 2 CB ASN 1 5.423 0.410 0.179 0.000 +ATOM 3 CA LEU 2 4.054 -3.792 0.000 0.000 +ATOM 4 CB LEU 2 3.293 -5.572 0.115 0.000 +ATOM 5 CA TYR 3 4.913 -3.829 -3.701 0.000 +ATOM 6 CB TYR 3 4.051 -6.114 -4.157 0.000 +ATOM 7 CA ILE 4 8.371 -2.417 -3.004 0.000 +ATOM 8 CB ILE 4 8.748 -0.681 -2.996 0.000 +ATOM 9 CA GLN 5 8.824 -4.896 -0.160 0.000 +ATOM 10 CB GLN 5 7.787 -3.484 1.236 0.000 +ATOM 11 CA TRP 6 7.498 -7.675 -2.387 0.000 +ATOM 12 CB TRP 6 6.205 -9.828 -3.077 0.000 +ATOM 13 CA LEU 7 9.729 -6.537 -5.246 0.000 +ATOM 14 CB LEU 7 8.269 -5.916 -6.361 0.000 +ATOM 15 CA LYS 8 12.691 -6.201 -2.889 0.000 +ATOM 16 CB LYS 8 12.757 -3.689 -2.511 0.000 +ATOM 17 CA ASP 9 11.976 -9.565 -1.274 0.000 +ATOM 18 CB ASP 9 10.633 -8.936 -0.425 0.000 +ATOM 19 CA GLY 10 13.324 -11.352 -4.345 0.000 +ATOM 20 CA GLY 11 10.872 -10.658 -7.164 0.000 +ATOM 21 CA PRO 12 7.939 -12.767 -5.984 0.000 +ATOM 22 CB PRO 12 7.157 -12.232 -6.938 0.000 +ATOM 23 CA SER 13 10.127 -15.069 -3.898 0.000 +ATOM 24 CB SER 13 11.254 -14.845 -3.858 0.000 +ATOM 25 CA SER 14 9.114 -13.445 -0.616 0.000 +ATOM 26 CB SER 14 8.741 -12.366 -0.756 0.000 +ATOM 27 CA GLY 15 6.126 -14.437 1.512 0.000 +ATOM 28 CA ARG 16 3.742 -11.940 -0.076 0.000 +ATOM 29 CB ARG 16 5.546 -9.638 0.676 0.000 +ATOM 30 CA PRO 17 1.397 -12.121 -3.060 0.000 +ATOM 31 CB PRO 17 0.974 -10.985 -2.477 0.000 +ATOM 32 CA PRO 18 2.805 -12.165 -6.589 0.000 +ATOM 33 CB PRO 18 1.995 -13.226 -6.756 0.000 +ATOM 34 CA PRO 19 2.265 -9.216 -8.923 0.000 +ATOM 35 CB PRO 19 3.426 -8.837 -8.359 0.000 +ATOM 36 CA SER 20 1.287 -9.926 -12.526 0.000 +ATOM 37 CB SER 20 0.140 -9.917 -12.442 0.000 +TER +CONECT 1 3 2 +CONECT 3 5 4 +CONECT 5 7 6 +CONECT 7 9 8 +CONECT 9 11 10 +CONECT 11 13 12 +CONECT 13 15 14 +CONECT 15 17 16 +CONECT 17 19 18 +CONECT 19 20 +CONECT 20 21 +CONECT 21 23 22 +CONECT 23 25 24 +CONECT 25 27 26 +CONECT 27 28 +CONECT 28 30 29 +CONECT 30 32 31 +CONECT 32 34 33 +CONECT 34 36 35 +CONECT 36 37 +ENDMDL diff --git a/examples/unres/CSA/GAB/CSA/global/unrestrained/1l2y_csa@025.pdb b/examples/unres/CSA/GAB/CSA/global/unrestrained/1l2y_csa@025.pdb new file mode 100644 index 0000000..1a48b12 --- /dev/null +++ b/examples/unres/CSA/GAB/CSA/global/unrestrained/1l2y_csa@025.pdb @@ -0,0 +1,61 @@ +REMARK GM 25 e 1849635 m 5670 ENERGY -8.96862E+01 +HELIX 1 H1 LEU 2 GLY 10 1 8 +ATOM 1 CA ASN 1 3.800 0.000 0.000 0.000 +ATOM 2 CB ASN 1 5.425 0.406 0.179 0.000 +ATOM 3 CA LEU 2 4.055 -3.791 0.000 0.000 +ATOM 4 CB LEU 2 3.298 -5.573 0.119 0.000 +ATOM 5 CA TYR 3 4.892 -3.829 -3.706 0.000 +ATOM 6 CB TYR 3 4.037 -6.116 -4.164 0.000 +ATOM 7 CA ILE 4 8.349 -2.404 -3.030 0.000 +ATOM 8 CB ILE 4 8.716 -0.666 -3.023 0.000 +ATOM 9 CA GLN 5 8.828 -4.878 -0.186 0.000 +ATOM 10 CB GLN 5 7.793 -3.469 1.215 0.000 +ATOM 11 CA TRP 6 7.500 -7.665 -2.402 0.000 +ATOM 12 CB TRP 6 6.208 -9.819 -3.092 0.000 +ATOM 13 CA LEU 7 9.709 -6.521 -5.275 0.000 +ATOM 14 CB LEU 7 8.239 -5.918 -6.386 0.000 +ATOM 15 CA LYS 8 12.683 -6.171 -2.936 0.000 +ATOM 16 CB LYS 8 12.741 -3.659 -2.561 0.000 +ATOM 17 CA ASP 9 11.989 -9.537 -1.314 0.000 +ATOM 18 CB ASP 9 10.649 -8.912 -0.457 0.000 +ATOM 19 CA GLY 10 13.318 -11.323 -4.394 0.000 +ATOM 20 CA GLY 11 10.845 -10.655 -7.200 0.000 +ATOM 21 CA PRO 12 7.935 -12.783 -5.999 0.000 +ATOM 22 CB PRO 12 7.142 -12.258 -6.951 0.000 +ATOM 23 CA SER 13 10.151 -15.062 -3.917 0.000 +ATOM 24 CB SER 13 11.276 -14.829 -3.884 0.000 +ATOM 25 CA SER 14 9.140 -13.431 -0.637 0.000 +ATOM 26 CB SER 14 8.766 -12.353 -0.780 0.000 +ATOM 27 CA GLY 15 6.158 -14.423 1.499 0.000 +ATOM 28 CA ARG 16 3.768 -11.930 -0.086 0.000 +ATOM 29 CB ARG 16 5.569 -9.625 0.665 0.000 +ATOM 30 CA PRO 17 1.402 -12.119 -3.054 0.000 +ATOM 31 CB PRO 17 0.986 -10.978 -2.476 0.000 +ATOM 32 CA PRO 18 2.785 -12.191 -6.592 0.000 +ATOM 33 CB PRO 18 1.967 -13.246 -6.749 0.000 +ATOM 34 CA PRO 19 2.255 -9.252 -8.942 0.000 +ATOM 35 CB PRO 19 3.411 -8.870 -8.368 0.000 +ATOM 36 CA SER 20 1.238 -9.987 -12.528 0.000 +ATOM 37 CB SER 20 0.285 -9.417 -12.826 0.000 +TER +CONECT 1 3 2 +CONECT 3 5 4 +CONECT 5 7 6 +CONECT 7 9 8 +CONECT 9 11 10 +CONECT 11 13 12 +CONECT 13 15 14 +CONECT 15 17 16 +CONECT 17 19 18 +CONECT 19 20 +CONECT 20 21 +CONECT 21 23 22 +CONECT 23 25 24 +CONECT 25 27 26 +CONECT 27 28 +CONECT 28 30 29 +CONECT 30 32 31 +CONECT 32 34 33 +CONECT 34 36 35 +CONECT 36 37 +ENDMDL diff --git a/examples/unres/CSA/GAB/CSA/global/unrestrained/1l2y_csa@026.pdb b/examples/unres/CSA/GAB/CSA/global/unrestrained/1l2y_csa@026.pdb new file mode 100644 index 0000000..9290fff --- /dev/null +++ b/examples/unres/CSA/GAB/CSA/global/unrestrained/1l2y_csa@026.pdb @@ -0,0 +1,61 @@ +REMARK GM 26 e 1850370 m 5672 ENERGY -9.06365E+01 +HELIX 1 H1 LEU 2 GLY 10 1 8 +ATOM 1 CA ASN 1 3.800 0.000 0.000 0.000 +ATOM 2 CB ASN 1 5.421 0.415 0.188 0.000 +ATOM 3 CA LEU 2 4.056 -3.791 0.000 0.000 +ATOM 4 CB LEU 2 3.334 -5.584 0.160 0.000 +ATOM 5 CA TYR 3 4.791 -3.837 -3.728 0.000 +ATOM 6 CB TYR 3 3.899 -6.120 -4.134 0.000 +ATOM 7 CA ILE 4 8.279 -2.449 -3.141 0.000 +ATOM 8 CB ILE 4 8.640 -0.711 -3.067 0.000 +ATOM 9 CA GLN 5 8.799 -4.914 -0.296 0.000 +ATOM 10 CB GLN 5 7.822 -3.488 1.128 0.000 +ATOM 11 CA TRP 6 7.393 -7.690 -2.477 0.000 +ATOM 12 CB TRP 6 6.024 -9.833 -3.043 0.000 +ATOM 13 CA LEU 7 9.480 -6.481 -5.413 0.000 +ATOM 14 CB LEU 7 7.915 -6.408 -6.556 0.000 +ATOM 15 CA LYS 8 12.565 -6.274 -3.204 0.000 +ATOM 16 CB LYS 8 12.646 -3.780 -2.727 0.000 +ATOM 17 CA ASP 9 11.861 -9.681 -1.674 0.000 +ATOM 18 CB ASP 9 10.605 -9.016 -0.725 0.000 +ATOM 19 CA GLY 10 13.028 -11.388 -4.862 0.000 +ATOM 20 CA GLY 11 10.566 -10.289 -7.540 0.000 +ATOM 21 CA PRO 12 7.456 -12.107 -6.330 0.000 +ATOM 22 CB PRO 12 6.652 -11.319 -7.065 0.000 +ATOM 23 CA SER 13 9.466 -14.896 -4.711 0.000 +ATOM 24 CB SER 13 10.609 -14.775 -4.754 0.000 +ATOM 25 CA SER 14 8.969 -13.565 -1.186 0.000 +ATOM 26 CB SER 14 8.682 -12.452 -1.166 0.000 +ATOM 27 CA GLY 15 6.245 -14.549 1.273 0.000 +ATOM 28 CA ARG 16 3.741 -11.967 0.046 0.000 +ATOM 29 CB ARG 16 5.599 -9.684 0.716 0.000 +ATOM 30 CA PRO 17 1.201 -12.163 -2.774 0.000 +ATOM 31 CB PRO 17 0.861 -10.968 -2.259 0.000 +ATOM 32 CA PRO 18 2.345 -12.223 -6.397 0.000 +ATOM 33 CB PRO 18 1.712 -13.408 -6.452 0.000 +ATOM 34 CA PRO 19 1.033 -9.599 -8.813 0.000 +ATOM 35 CB PRO 19 2.011 -8.788 -8.372 0.000 +ATOM 36 CA SER 20 -0.845 -12.159 -10.901 0.000 +ATOM 37 CB SER 20 -0.447 -13.226 -10.740 0.000 +TER +CONECT 1 3 2 +CONECT 3 5 4 +CONECT 5 7 6 +CONECT 7 9 8 +CONECT 9 11 10 +CONECT 11 13 12 +CONECT 13 15 14 +CONECT 15 17 16 +CONECT 17 19 18 +CONECT 19 20 +CONECT 20 21 +CONECT 21 23 22 +CONECT 23 25 24 +CONECT 25 27 26 +CONECT 27 28 +CONECT 28 30 29 +CONECT 30 32 31 +CONECT 32 34 33 +CONECT 34 36 35 +CONECT 36 37 +ENDMDL diff --git a/examples/unres/CSA/GAB/CSA/global/unrestrained/1l2y_csa@027.pdb b/examples/unres/CSA/GAB/CSA/global/unrestrained/1l2y_csa@027.pdb new file mode 100644 index 0000000..5a80800 --- /dev/null +++ b/examples/unres/CSA/GAB/CSA/global/unrestrained/1l2y_csa@027.pdb @@ -0,0 +1,61 @@ +REMARK GM 27 e 2503190 m 7797 ENERGY -9.07449E+01 +HELIX 1 H1 TYR 3 GLY 10 1 7 +ATOM 1 CA ASN 1 3.800 0.000 0.000 0.000 +ATOM 2 CB ASN 1 5.452 0.318 0.064 0.000 +ATOM 3 CA LEU 2 4.061 -3.791 0.000 0.000 +ATOM 4 CB LEU 2 3.745 -5.648 -0.458 0.000 +ATOM 5 CA TYR 3 6.274 -3.724 -3.089 0.000 +ATOM 6 CB TYR 3 6.181 -5.868 -4.340 0.000 +ATOM 7 CA ILE 4 9.402 -3.282 -0.977 0.000 +ATOM 8 CB ILE 4 10.219 -1.741 -0.644 0.000 +ATOM 9 CA GLN 5 8.160 -5.897 1.484 0.000 +ATOM 10 CB GLN 5 7.140 -4.208 2.546 0.000 +ATOM 11 CA TRP 6 7.171 -8.175 -1.392 0.000 +ATOM 12 CB TRP 6 6.725 -10.371 -2.720 0.000 +ATOM 13 CA LEU 7 10.474 -7.556 -3.167 0.000 +ATOM 14 CB LEU 7 10.548 -6.055 -4.392 0.000 +ATOM 15 CA LYS 8 12.403 -8.300 0.021 0.000 +ATOM 16 CB LYS 8 13.126 -5.901 0.443 0.000 +ATOM 17 CA ASP 9 10.026 -11.092 1.016 0.000 +ATOM 18 CB ASP 9 9.065 -10.098 2.021 0.000 +ATOM 19 CA GLY 10 10.717 -13.080 -2.148 0.000 +ATOM 20 CA GLY 11 9.561 -12.277 -5.678 0.000 +ATOM 21 CA PRO 12 6.263 -12.145 -7.560 0.000 +ATOM 22 CB PRO 12 6.498 -13.127 -8.449 0.000 +ATOM 23 CA SER 13 3.958 -14.750 -6.029 0.000 +ATOM 24 CB SER 13 3.432 -15.465 -6.760 0.000 +ATOM 25 CA SER 14 6.908 -17.013 -5.246 0.000 +ATOM 26 CB SER 14 7.848 -16.443 -5.584 0.000 +ATOM 27 CA GLY 15 7.171 -15.734 -1.678 0.000 +ATOM 28 CA ARG 16 4.631 -13.425 -0.048 0.000 +ATOM 29 CB ARG 16 5.136 -10.646 1.021 0.000 +ATOM 30 CA PRO 17 1.867 -11.665 -1.974 0.000 +ATOM 31 CB PRO 17 1.489 -11.258 -0.749 0.000 +ATOM 32 CA PRO 18 2.812 -8.998 -4.510 0.000 +ATOM 33 CB PRO 18 2.982 -10.092 -5.274 0.000 +ATOM 34 CA PRO 19 0.866 -5.919 -5.595 0.000 +ATOM 35 CB PRO 19 1.633 -5.094 -4.861 0.000 +ATOM 36 CA SER 20 3.125 -5.269 -8.581 0.000 +ATOM 37 CB SER 20 4.230 -5.480 -8.345 0.000 +TER +CONECT 1 3 2 +CONECT 3 5 4 +CONECT 5 7 6 +CONECT 7 9 8 +CONECT 9 11 10 +CONECT 11 13 12 +CONECT 13 15 14 +CONECT 15 17 16 +CONECT 17 19 18 +CONECT 19 20 +CONECT 20 21 +CONECT 21 23 22 +CONECT 23 25 24 +CONECT 25 27 26 +CONECT 27 28 +CONECT 28 30 29 +CONECT 30 32 31 +CONECT 32 34 33 +CONECT 34 36 35 +CONECT 36 37 +ENDMDL diff --git a/examples/unres/CSA/GAB/CSA/global/unrestrained/1l2y_csa@028.pdb b/examples/unres/CSA/GAB/CSA/global/unrestrained/1l2y_csa@028.pdb new file mode 100644 index 0000000..5b62abf --- /dev/null +++ b/examples/unres/CSA/GAB/CSA/global/unrestrained/1l2y_csa@028.pdb @@ -0,0 +1,61 @@ +REMARK GM 28 e 2677496 m 8388 ENERGY -9.07464E+01 +HELIX 1 H1 TYR 3 GLY 10 1 7 +ATOM 1 CA ASN 1 3.800 0.000 0.000 0.000 +ATOM 2 CB ASN 1 5.452 0.319 0.060 0.000 +ATOM 3 CA LEU 2 4.063 -3.791 0.000 0.000 +ATOM 4 CB LEU 2 3.756 -5.652 -0.449 0.000 +ATOM 5 CA TYR 3 6.277 -3.723 -3.087 0.000 +ATOM 6 CB TYR 3 6.177 -5.869 -4.336 0.000 +ATOM 7 CA ILE 4 9.404 -3.278 -0.974 0.000 +ATOM 8 CB ILE 4 10.220 -1.736 -0.639 0.000 +ATOM 9 CA GLN 5 8.164 -5.895 1.485 0.000 +ATOM 10 CB GLN 5 7.140 -4.212 2.550 0.000 +ATOM 11 CA TRP 6 7.179 -8.173 -1.392 0.000 +ATOM 12 CB TRP 6 6.729 -10.373 -2.713 0.000 +ATOM 13 CA LEU 7 10.482 -7.552 -3.165 0.000 +ATOM 14 CB LEU 7 10.545 -6.051 -4.390 0.000 +ATOM 15 CA LYS 8 12.410 -8.295 0.024 0.000 +ATOM 16 CB LYS 8 13.129 -5.895 0.447 0.000 +ATOM 17 CA ASP 9 10.036 -11.091 1.017 0.000 +ATOM 18 CB ASP 9 9.082 -10.110 2.041 0.000 +ATOM 19 CA GLY 10 10.723 -13.077 -2.149 0.000 +ATOM 20 CA GLY 11 9.556 -12.277 -5.675 0.000 +ATOM 21 CA PRO 12 6.251 -12.147 -7.547 0.000 +ATOM 22 CB PRO 12 6.485 -13.128 -8.437 0.000 +ATOM 23 CA SER 13 3.954 -14.755 -6.010 0.000 +ATOM 24 CB SER 13 3.427 -15.470 -6.741 0.000 +ATOM 25 CA SER 14 6.909 -17.018 -5.244 0.000 +ATOM 26 CB SER 14 7.847 -16.448 -5.587 0.000 +ATOM 27 CA GLY 15 7.190 -15.742 -1.676 0.000 +ATOM 28 CA ARG 16 4.655 -13.434 -0.038 0.000 +ATOM 29 CB ARG 16 5.160 -10.655 1.033 0.000 +ATOM 30 CA PRO 17 1.878 -11.674 -1.944 0.000 +ATOM 31 CB PRO 17 1.509 -11.261 -0.718 0.000 +ATOM 32 CA PRO 18 2.807 -9.006 -4.484 0.000 +ATOM 33 CB PRO 18 2.976 -10.099 -5.249 0.000 +ATOM 34 CA PRO 19 0.854 -5.935 -5.578 0.000 +ATOM 35 CB PRO 19 1.624 -5.108 -4.848 0.000 +ATOM 36 CA SER 20 3.096 -5.304 -8.581 0.000 +ATOM 37 CB SER 20 4.198 -5.545 -8.355 0.000 +TER +CONECT 1 3 2 +CONECT 3 5 4 +CONECT 5 7 6 +CONECT 7 9 8 +CONECT 9 11 10 +CONECT 11 13 12 +CONECT 13 15 14 +CONECT 15 17 16 +CONECT 17 19 18 +CONECT 19 20 +CONECT 20 21 +CONECT 21 23 22 +CONECT 23 25 24 +CONECT 25 27 26 +CONECT 27 28 +CONECT 28 30 29 +CONECT 30 32 31 +CONECT 32 34 33 +CONECT 34 36 35 +CONECT 36 37 +ENDMDL diff --git a/examples/unres/CSA/GAB/CSA/global/unrestrained/1l2y_csa@029.pdb b/examples/unres/CSA/GAB/CSA/global/unrestrained/1l2y_csa@029.pdb new file mode 100644 index 0000000..f503ca3 --- /dev/null +++ b/examples/unres/CSA/GAB/CSA/global/unrestrained/1l2y_csa@029.pdb @@ -0,0 +1,61 @@ +REMARK GM 29 e 2705963 m 8476 ENERGY -9.07467E+01 +HELIX 1 H1 TYR 3 GLY 10 1 7 +ATOM 1 CA ASN 1 3.800 0.000 0.000 0.000 +ATOM 2 CB ASN 1 5.452 0.320 0.060 0.000 +ATOM 3 CA LEU 2 4.063 -3.791 0.000 0.000 +ATOM 4 CB LEU 2 3.755 -5.652 -0.450 0.000 +ATOM 5 CA TYR 3 6.277 -3.723 -3.088 0.000 +ATOM 6 CB TYR 3 6.177 -5.869 -4.336 0.000 +ATOM 7 CA ILE 4 9.403 -3.277 -0.975 0.000 +ATOM 8 CB ILE 4 10.220 -1.736 -0.640 0.000 +ATOM 9 CA GLN 5 8.165 -5.896 1.485 0.000 +ATOM 10 CB GLN 5 7.139 -4.213 2.550 0.000 +ATOM 11 CA TRP 6 7.178 -8.173 -1.392 0.000 +ATOM 12 CB TRP 6 6.728 -10.373 -2.713 0.000 +ATOM 13 CA LEU 7 10.481 -7.551 -3.165 0.000 +ATOM 14 CB LEU 7 10.546 -6.050 -4.390 0.000 +ATOM 15 CA LYS 8 12.411 -8.295 0.022 0.000 +ATOM 16 CB LYS 8 13.131 -5.896 0.445 0.000 +ATOM 17 CA ASP 9 10.037 -11.090 1.017 0.000 +ATOM 18 CB ASP 9 9.082 -10.107 2.037 0.000 +ATOM 19 CA GLY 10 10.723 -13.078 -2.149 0.000 +ATOM 20 CA GLY 11 9.557 -12.278 -5.675 0.000 +ATOM 21 CA PRO 12 6.253 -12.147 -7.548 0.000 +ATOM 22 CB PRO 12 6.487 -13.128 -8.437 0.000 +ATOM 23 CA SER 13 3.954 -14.755 -6.012 0.000 +ATOM 24 CB SER 13 3.428 -15.469 -6.743 0.000 +ATOM 25 CA SER 14 6.909 -17.017 -5.244 0.000 +ATOM 26 CB SER 14 7.848 -16.449 -5.588 0.000 +ATOM 27 CA GLY 15 7.187 -15.741 -1.675 0.000 +ATOM 28 CA ARG 16 4.651 -13.433 -0.039 0.000 +ATOM 29 CB ARG 16 5.157 -10.655 1.032 0.000 +ATOM 30 CA PRO 17 1.876 -11.673 -1.947 0.000 +ATOM 31 CB PRO 17 1.507 -11.260 -0.721 0.000 +ATOM 32 CA PRO 18 2.806 -9.004 -4.487 0.000 +ATOM 33 CB PRO 18 2.976 -10.098 -5.252 0.000 +ATOM 34 CA PRO 19 0.856 -5.932 -5.581 0.000 +ATOM 35 CB PRO 19 1.626 -5.106 -4.849 0.000 +ATOM 36 CA SER 20 3.102 -5.300 -8.580 0.000 +ATOM 37 CB SER 20 4.205 -5.525 -8.349 0.000 +TER +CONECT 1 3 2 +CONECT 3 5 4 +CONECT 5 7 6 +CONECT 7 9 8 +CONECT 9 11 10 +CONECT 11 13 12 +CONECT 13 15 14 +CONECT 15 17 16 +CONECT 17 19 18 +CONECT 19 20 +CONECT 20 21 +CONECT 21 23 22 +CONECT 23 25 24 +CONECT 25 27 26 +CONECT 27 28 +CONECT 28 30 29 +CONECT 30 32 31 +CONECT 32 34 33 +CONECT 34 36 35 +CONECT 36 37 +ENDMDL diff --git a/examples/unres/CSA/GAB/CSA/global/unrestrained/1l2y_csa@030.pdb b/examples/unres/CSA/GAB/CSA/global/unrestrained/1l2y_csa@030.pdb new file mode 100644 index 0000000..7f20dca --- /dev/null +++ b/examples/unres/CSA/GAB/CSA/global/unrestrained/1l2y_csa@030.pdb @@ -0,0 +1,61 @@ +REMARK GM 30 e 2731353 m 8558 ENERGY -9.07468E+01 +HELIX 1 H1 TYR 3 GLY 10 1 7 +ATOM 1 CA ASN 1 3.800 0.000 0.000 0.000 +ATOM 2 CB ASN 1 5.452 0.319 0.061 0.000 +ATOM 3 CA LEU 2 4.062 -3.791 0.000 0.000 +ATOM 4 CB LEU 2 3.754 -5.651 -0.452 0.000 +ATOM 5 CA TYR 3 6.277 -3.724 -3.087 0.000 +ATOM 6 CB TYR 3 6.179 -5.869 -4.335 0.000 +ATOM 7 CA ILE 4 9.403 -3.278 -0.973 0.000 +ATOM 8 CB ILE 4 10.220 -1.736 -0.639 0.000 +ATOM 9 CA GLN 5 8.164 -5.895 1.487 0.000 +ATOM 10 CB GLN 5 7.136 -4.212 2.551 0.000 +ATOM 11 CA TRP 6 7.178 -8.173 -1.390 0.000 +ATOM 12 CB TRP 6 6.729 -10.372 -2.712 0.000 +ATOM 13 CA LEU 7 10.479 -7.550 -3.165 0.000 +ATOM 14 CB LEU 7 10.548 -6.048 -4.388 0.000 +ATOM 15 CA LYS 8 12.411 -8.293 0.022 0.000 +ATOM 16 CB LYS 8 13.132 -5.893 0.444 0.000 +ATOM 17 CA ASP 9 10.037 -11.087 1.019 0.000 +ATOM 18 CB ASP 9 9.079 -10.098 2.031 0.000 +ATOM 19 CA GLY 10 10.725 -13.077 -2.145 0.000 +ATOM 20 CA GLY 11 9.560 -12.277 -5.672 0.000 +ATOM 21 CA PRO 12 6.257 -12.148 -7.548 0.000 +ATOM 22 CB PRO 12 6.492 -13.130 -8.437 0.000 +ATOM 23 CA SER 13 3.958 -14.755 -6.012 0.000 +ATOM 24 CB SER 13 3.432 -15.470 -6.743 0.000 +ATOM 25 CA SER 14 6.912 -17.017 -5.240 0.000 +ATOM 26 CB SER 14 7.850 -16.446 -5.582 0.000 +ATOM 27 CA GLY 15 7.187 -15.738 -1.672 0.000 +ATOM 28 CA ARG 16 4.648 -13.429 -0.040 0.000 +ATOM 29 CB ARG 16 5.151 -10.651 1.033 0.000 +ATOM 30 CA PRO 17 1.875 -11.672 -1.953 0.000 +ATOM 31 CB PRO 17 1.504 -11.257 -0.728 0.000 +ATOM 32 CA PRO 18 2.808 -9.003 -4.492 0.000 +ATOM 33 CB PRO 18 2.978 -10.097 -5.256 0.000 +ATOM 34 CA PRO 19 0.861 -5.927 -5.583 0.000 +ATOM 35 CB PRO 19 1.630 -5.101 -4.851 0.000 +ATOM 36 CA SER 20 3.111 -5.290 -8.579 0.000 +ATOM 37 CB SER 20 4.216 -5.505 -8.343 0.000 +TER +CONECT 1 3 2 +CONECT 3 5 4 +CONECT 5 7 6 +CONECT 7 9 8 +CONECT 9 11 10 +CONECT 11 13 12 +CONECT 13 15 14 +CONECT 15 17 16 +CONECT 17 19 18 +CONECT 19 20 +CONECT 20 21 +CONECT 21 23 22 +CONECT 23 25 24 +CONECT 25 27 26 +CONECT 27 28 +CONECT 28 30 29 +CONECT 30 32 31 +CONECT 32 34 33 +CONECT 34 36 35 +CONECT 36 37 +ENDMDL diff --git a/examples/unres/CSA/GAB/CSA/global/unrestrained/1l2y_csa@031.pdb b/examples/unres/CSA/GAB/CSA/global/unrestrained/1l2y_csa@031.pdb new file mode 100644 index 0000000..dcf2b82 --- /dev/null +++ b/examples/unres/CSA/GAB/CSA/global/unrestrained/1l2y_csa@031.pdb @@ -0,0 +1,61 @@ +REMARK GM 31 e 2891356 m 9105 ENERGY -9.18668E+01 +HELIX 1 H1 TYR 3 GLY 10 1 7 +ATOM 1 CA ASN 1 3.800 0.000 0.000 0.000 +ATOM 2 CB ASN 1 5.416 0.450 0.149 0.000 +ATOM 3 CA LEU 2 4.056 -3.791 0.000 0.000 +ATOM 4 CB LEU 2 3.573 -5.617 -0.439 0.000 +ATOM 5 CA TYR 3 6.066 -3.752 -3.225 0.000 +ATOM 6 CB TYR 3 5.924 -1.302 -3.606 0.000 +ATOM 7 CA ILE 4 9.299 -3.142 -1.323 0.000 +ATOM 8 CB ILE 4 9.995 -1.532 -1.047 0.000 +ATOM 9 CA GLN 5 8.352 -5.785 1.237 0.000 +ATOM 10 CB GLN 5 7.191 -4.282 2.425 0.000 +ATOM 11 CA TRP 6 7.204 -8.088 -1.559 0.000 +ATOM 12 CB TRP 6 5.708 -10.062 -2.366 0.000 +ATOM 13 CA LEU 7 10.272 -7.198 -3.618 0.000 +ATOM 14 CB LEU 7 9.065 -6.524 -4.978 0.000 +ATOM 15 CA LYS 8 12.526 -7.870 -0.634 0.000 +ATOM 16 CB LYS 8 12.919 -5.496 0.182 0.000 +ATOM 17 CA ASP 9 10.788 -11.168 0.103 0.000 +ATOM 18 CB ASP 9 9.379 -10.430 0.729 0.000 +ATOM 19 CA GLY 10 12.567 -12.787 -2.839 0.000 +ATOM 20 CA GLY 11 11.144 -10.900 -5.814 0.000 +ATOM 21 CA PRO 12 7.550 -12.109 -5.565 0.000 +ATOM 22 CB PRO 12 7.057 -11.040 -6.216 0.000 +ATOM 23 CA SER 13 8.581 -15.497 -4.187 0.000 +ATOM 24 CB SER 13 9.706 -15.614 -3.982 0.000 +ATOM 25 CA SER 14 7.541 -14.693 -0.621 0.000 +ATOM 26 CB SER 14 7.271 -13.585 -0.473 0.000 +ATOM 27 CA GLY 15 4.318 -15.948 0.951 0.000 +ATOM 28 CA ARG 16 2.365 -12.777 0.200 0.000 +ATOM 29 CB ARG 16 4.200 -10.543 1.073 0.000 +ATOM 30 CA PRO 17 0.686 -11.629 -3.011 0.000 +ATOM 31 CB PRO 17 0.317 -10.604 -2.222 0.000 +ATOM 32 CA PRO 18 2.849 -10.799 -6.022 0.000 +ATOM 33 CB PRO 18 1.991 -11.626 -6.645 0.000 +ATOM 34 CA PRO 19 3.243 -7.154 -7.023 0.000 +ATOM 35 CB PRO 19 3.873 -7.035 -5.841 0.000 +ATOM 36 CA SER 20 3.125 -7.912 -10.745 0.000 +ATOM 37 CB SER 20 3.650 -8.902 -11.004 0.000 +TER +CONECT 1 3 2 +CONECT 3 5 4 +CONECT 5 7 6 +CONECT 7 9 8 +CONECT 9 11 10 +CONECT 11 13 12 +CONECT 13 15 14 +CONECT 15 17 16 +CONECT 17 19 18 +CONECT 19 20 +CONECT 20 21 +CONECT 21 23 22 +CONECT 23 25 24 +CONECT 25 27 26 +CONECT 27 28 +CONECT 28 30 29 +CONECT 30 32 31 +CONECT 32 34 33 +CONECT 34 36 35 +CONECT 36 37 +ENDMDL diff --git a/examples/unres/CSA/GAB/CSA/global/unrestrained/1l2y_csa@032.pdb b/examples/unres/CSA/GAB/CSA/global/unrestrained/1l2y_csa@032.pdb new file mode 100644 index 0000000..7ea5593 --- /dev/null +++ b/examples/unres/CSA/GAB/CSA/global/unrestrained/1l2y_csa@032.pdb @@ -0,0 +1,61 @@ +REMARK GM 32 e 3273870 m 10380 ENERGY -9.22318E+01 +HELIX 1 H1 TYR 3 GLY 10 1 7 +ATOM 1 CA ASN 1 3.800 0.000 0.000 0.000 +ATOM 2 CB ASN 1 5.419 0.445 0.133 0.000 +ATOM 3 CA LEU 2 4.056 -3.791 0.000 0.000 +ATOM 4 CB LEU 2 3.531 -5.613 -0.409 0.000 +ATOM 5 CA TYR 3 6.130 -3.748 -3.184 0.000 +ATOM 6 CB TYR 3 5.984 -1.310 -3.635 0.000 +ATOM 7 CA ILE 4 9.334 -3.133 -1.237 0.000 +ATOM 8 CB ILE 4 10.042 -1.527 -0.965 0.000 +ATOM 9 CA GLN 5 8.321 -5.711 1.365 0.000 +ATOM 10 CB GLN 5 7.145 -4.163 2.478 0.000 +ATOM 11 CA TRP 6 7.203 -8.072 -1.395 0.000 +ATOM 12 CB TRP 6 5.679 -10.073 -2.073 0.000 +ATOM 13 CA LEU 7 10.294 -7.234 -3.439 0.000 +ATOM 14 CB LEU 7 9.118 -6.618 -4.852 0.000 +ATOM 15 CA LYS 8 12.513 -7.861 -0.418 0.000 +ATOM 16 CB LYS 8 12.952 -5.469 0.321 0.000 +ATOM 17 CA ASP 9 10.719 -11.110 0.394 0.000 +ATOM 18 CB ASP 9 9.303 -10.362 0.992 0.000 +ATOM 19 CA GLY 10 12.491 -12.833 -2.493 0.000 +ATOM 20 CA GLY 11 11.092 -11.007 -5.517 0.000 +ATOM 21 CA PRO 12 7.481 -12.148 -5.213 0.000 +ATOM 22 CB PRO 12 6.991 -11.073 -5.856 0.000 +ATOM 23 CA SER 13 8.472 -15.534 -3.802 0.000 +ATOM 24 CB SER 13 9.598 -15.661 -3.606 0.000 +ATOM 25 CA SER 14 7.489 -14.671 -0.234 0.000 +ATOM 26 CB SER 14 7.202 -13.566 -0.092 0.000 +ATOM 27 CA GLY 15 4.303 -15.969 1.379 0.000 +ATOM 28 CA ARG 16 2.279 -12.843 0.621 0.000 +ATOM 29 CB ARG 16 4.083 -10.527 1.330 0.000 +ATOM 30 CA PRO 17 0.600 -11.735 -2.603 0.000 +ATOM 31 CB PRO 17 0.176 -10.730 -1.816 0.000 +ATOM 32 CA PRO 18 2.770 -10.733 -5.557 0.000 +ATOM 33 CB PRO 18 1.986 -11.609 -6.209 0.000 +ATOM 34 CA PRO 19 2.862 -7.072 -6.573 0.000 +ATOM 35 CB PRO 19 3.754 -7.003 -5.568 0.000 +ATOM 36 CA SER 20 4.205 -7.832 -10.045 0.000 +ATOM 37 CB SER 20 5.152 -8.484 -10.006 0.000 +TER +CONECT 1 3 2 +CONECT 3 5 4 +CONECT 5 7 6 +CONECT 7 9 8 +CONECT 9 11 10 +CONECT 11 13 12 +CONECT 13 15 14 +CONECT 15 17 16 +CONECT 17 19 18 +CONECT 19 20 +CONECT 20 21 +CONECT 21 23 22 +CONECT 23 25 24 +CONECT 25 27 26 +CONECT 27 28 +CONECT 28 30 29 +CONECT 30 32 31 +CONECT 32 34 33 +CONECT 34 36 35 +CONECT 36 37 +ENDMDL diff --git a/examples/unres/CSA/GAB/CSA/global/unrestrained/1l2y_csa@033.pdb b/examples/unres/CSA/GAB/CSA/global/unrestrained/1l2y_csa@033.pdb new file mode 100644 index 0000000..1234e59 --- /dev/null +++ b/examples/unres/CSA/GAB/CSA/global/unrestrained/1l2y_csa@033.pdb @@ -0,0 +1,61 @@ +REMARK GM 33 e 3562507 m 11302 ENERGY -9.22332E+01 +HELIX 1 H1 TYR 3 GLY 10 1 7 +ATOM 1 CA ASN 1 3.800 0.000 0.000 0.000 +ATOM 2 CB ASN 1 5.419 0.444 0.132 0.000 +ATOM 3 CA LEU 2 4.057 -3.791 0.000 0.000 +ATOM 4 CB LEU 2 3.533 -5.613 -0.410 0.000 +ATOM 5 CA TYR 3 6.130 -3.748 -3.184 0.000 +ATOM 6 CB TYR 3 5.986 -1.309 -3.632 0.000 +ATOM 7 CA ILE 4 9.335 -3.141 -1.235 0.000 +ATOM 8 CB ILE 4 10.043 -1.536 -0.958 0.000 +ATOM 9 CA GLN 5 8.318 -5.723 1.361 0.000 +ATOM 10 CB GLN 5 7.146 -4.175 2.477 0.000 +ATOM 11 CA TRP 6 7.199 -8.077 -1.404 0.000 +ATOM 12 CB TRP 6 5.676 -10.076 -2.090 0.000 +ATOM 13 CA LEU 7 10.291 -7.236 -3.446 0.000 +ATOM 14 CB LEU 7 9.113 -6.625 -4.859 0.000 +ATOM 15 CA LYS 8 12.509 -7.873 -0.426 0.000 +ATOM 16 CB LYS 8 12.946 -5.484 0.323 0.000 +ATOM 17 CA ASP 9 10.714 -11.125 0.374 0.000 +ATOM 18 CB ASP 9 9.296 -10.384 0.973 0.000 +ATOM 19 CA GLY 10 12.489 -12.837 -2.517 0.000 +ATOM 20 CA GLY 11 11.090 -11.002 -5.536 0.000 +ATOM 21 CA PRO 12 7.480 -12.151 -5.237 0.000 +ATOM 22 CB PRO 12 6.987 -11.074 -5.874 0.000 +ATOM 23 CA SER 13 8.477 -15.540 -3.836 0.000 +ATOM 24 CB SER 13 9.603 -15.665 -3.640 0.000 +ATOM 25 CA SER 14 7.490 -14.690 -0.267 0.000 +ATOM 26 CB SER 14 7.200 -13.586 -0.125 0.000 +ATOM 27 CA GLY 15 4.301 -15.998 1.333 0.000 +ATOM 28 CA ARG 16 2.281 -12.867 0.591 0.000 +ATOM 29 CB ARG 16 4.077 -10.548 1.308 0.000 +ATOM 30 CA PRO 17 0.599 -11.740 -2.625 0.000 +ATOM 31 CB PRO 17 0.187 -10.729 -1.840 0.000 +ATOM 32 CA PRO 18 2.766 -10.730 -5.579 0.000 +ATOM 33 CB PRO 18 1.982 -11.608 -6.231 0.000 +ATOM 34 CA PRO 19 2.857 -7.065 -6.578 0.000 +ATOM 35 CB PRO 19 3.748 -6.997 -5.572 0.000 +ATOM 36 CA SER 20 4.228 -7.804 -10.044 0.000 +ATOM 37 CB SER 20 5.198 -8.420 -10.005 0.000 +TER +CONECT 1 3 2 +CONECT 3 5 4 +CONECT 5 7 6 +CONECT 7 9 8 +CONECT 9 11 10 +CONECT 11 13 12 +CONECT 13 15 14 +CONECT 15 17 16 +CONECT 17 19 18 +CONECT 19 20 +CONECT 20 21 +CONECT 21 23 22 +CONECT 23 25 24 +CONECT 25 27 26 +CONECT 27 28 +CONECT 28 30 29 +CONECT 30 32 31 +CONECT 32 34 33 +CONECT 34 36 35 +CONECT 36 37 +ENDMDL diff --git a/examples/unres/CSA/GAB/CSA/global/unrestrained/1l2y_csa@034.pdb b/examples/unres/CSA/GAB/CSA/global/unrestrained/1l2y_csa@034.pdb new file mode 100644 index 0000000..c6621e5 --- /dev/null +++ b/examples/unres/CSA/GAB/CSA/global/unrestrained/1l2y_csa@034.pdb @@ -0,0 +1,61 @@ +REMARK GM 34 e 3999819 m 12764 ENERGY -9.22334E+01 +HELIX 1 H1 TYR 3 GLY 10 1 7 +ATOM 1 CA ASN 1 3.800 0.000 0.000 0.000 +ATOM 2 CB ASN 1 5.419 0.444 0.132 0.000 +ATOM 3 CA LEU 2 4.056 -3.791 0.000 0.000 +ATOM 4 CB LEU 2 3.534 -5.613 -0.410 0.000 +ATOM 5 CA TYR 3 6.130 -3.748 -3.184 0.000 +ATOM 6 CB TYR 3 5.986 -1.309 -3.632 0.000 +ATOM 7 CA ILE 4 9.335 -3.142 -1.235 0.000 +ATOM 8 CB ILE 4 10.043 -1.536 -0.957 0.000 +ATOM 9 CA GLN 5 8.318 -5.724 1.361 0.000 +ATOM 10 CB GLN 5 7.146 -4.176 2.477 0.000 +ATOM 11 CA TRP 6 7.198 -8.077 -1.405 0.000 +ATOM 12 CB TRP 6 5.675 -10.076 -2.092 0.000 +ATOM 13 CA LEU 7 10.291 -7.237 -3.446 0.000 +ATOM 14 CB LEU 7 9.113 -6.626 -4.860 0.000 +ATOM 15 CA LYS 8 12.508 -7.874 -0.426 0.000 +ATOM 16 CB LYS 8 12.945 -5.486 0.324 0.000 +ATOM 17 CA ASP 9 10.713 -11.127 0.373 0.000 +ATOM 18 CB ASP 9 9.294 -10.386 0.972 0.000 +ATOM 19 CA GLY 10 12.489 -12.838 -2.518 0.000 +ATOM 20 CA GLY 11 11.090 -11.002 -5.537 0.000 +ATOM 21 CA PRO 12 7.480 -12.152 -5.238 0.000 +ATOM 22 CB PRO 12 6.987 -11.075 -5.874 0.000 +ATOM 23 CA SER 13 8.478 -15.541 -3.839 0.000 +ATOM 24 CB SER 13 9.604 -15.666 -3.642 0.000 +ATOM 25 CA SER 14 7.490 -14.692 -0.269 0.000 +ATOM 26 CB SER 14 7.199 -13.589 -0.127 0.000 +ATOM 27 CA GLY 15 4.301 -16.001 1.330 0.000 +ATOM 28 CA ARG 16 2.280 -12.869 0.589 0.000 +ATOM 29 CB ARG 16 4.077 -10.550 1.307 0.000 +ATOM 30 CA PRO 17 0.598 -11.741 -2.626 0.000 +ATOM 31 CB PRO 17 0.188 -10.729 -1.841 0.000 +ATOM 32 CA PRO 18 2.765 -10.730 -5.581 0.000 +ATOM 33 CB PRO 18 1.981 -11.608 -6.232 0.000 +ATOM 34 CA PRO 19 2.856 -7.065 -6.578 0.000 +ATOM 35 CB PRO 19 3.747 -6.997 -5.572 0.000 +ATOM 36 CA SER 20 4.227 -7.802 -10.044 0.000 +ATOM 37 CB SER 20 5.197 -8.419 -10.003 0.000 +TER +CONECT 1 3 2 +CONECT 3 5 4 +CONECT 5 7 6 +CONECT 7 9 8 +CONECT 9 11 10 +CONECT 11 13 12 +CONECT 13 15 14 +CONECT 15 17 16 +CONECT 17 19 18 +CONECT 19 20 +CONECT 20 21 +CONECT 21 23 22 +CONECT 23 25 24 +CONECT 25 27 26 +CONECT 27 28 +CONECT 28 30 29 +CONECT 30 32 31 +CONECT 32 34 33 +CONECT 34 36 35 +CONECT 36 37 +ENDMDL diff --git a/examples/unres/CSA/GAB/CSA/global/unrestrained/1l2y_csa@035.pdb b/examples/unres/CSA/GAB/CSA/global/unrestrained/1l2y_csa@035.pdb new file mode 100644 index 0000000..5986def --- /dev/null +++ b/examples/unres/CSA/GAB/CSA/global/unrestrained/1l2y_csa@035.pdb @@ -0,0 +1,61 @@ +REMARK GM 35 e 5581972 m 17918 ENERGY -9.22334E+01 +HELIX 1 H1 TYR 3 GLY 10 1 7 +ATOM 1 CA ASN 1 3.800 0.000 0.000 0.000 +ATOM 2 CB ASN 1 5.419 0.444 0.132 0.000 +ATOM 3 CA LEU 2 4.056 -3.791 0.000 0.000 +ATOM 4 CB LEU 2 3.534 -5.613 -0.410 0.000 +ATOM 5 CA TYR 3 6.130 -3.748 -3.184 0.000 +ATOM 6 CB TYR 3 5.986 -1.309 -3.632 0.000 +ATOM 7 CA ILE 4 9.335 -3.142 -1.235 0.000 +ATOM 8 CB ILE 4 10.043 -1.536 -0.957 0.000 +ATOM 9 CA GLN 5 8.318 -5.724 1.361 0.000 +ATOM 10 CB GLN 5 7.146 -4.176 2.477 0.000 +ATOM 11 CA TRP 6 7.198 -8.077 -1.404 0.000 +ATOM 12 CB TRP 6 5.675 -10.076 -2.091 0.000 +ATOM 13 CA LEU 7 10.291 -7.237 -3.446 0.000 +ATOM 14 CB LEU 7 9.113 -6.627 -4.860 0.000 +ATOM 15 CA LYS 8 12.508 -7.874 -0.426 0.000 +ATOM 16 CB LYS 8 12.945 -5.486 0.324 0.000 +ATOM 17 CA ASP 9 10.713 -11.127 0.373 0.000 +ATOM 18 CB ASP 9 9.294 -10.386 0.972 0.000 +ATOM 19 CA GLY 10 12.489 -12.838 -2.518 0.000 +ATOM 20 CA GLY 11 11.090 -11.002 -5.537 0.000 +ATOM 21 CA PRO 12 7.480 -12.152 -5.238 0.000 +ATOM 22 CB PRO 12 6.986 -11.075 -5.874 0.000 +ATOM 23 CA SER 13 8.478 -15.541 -3.839 0.000 +ATOM 24 CB SER 13 9.604 -15.666 -3.642 0.000 +ATOM 25 CA SER 14 7.490 -14.692 -0.269 0.000 +ATOM 26 CB SER 14 7.199 -13.589 -0.127 0.000 +ATOM 27 CA GLY 15 4.301 -16.001 1.330 0.000 +ATOM 28 CA ARG 16 2.280 -12.869 0.589 0.000 +ATOM 29 CB ARG 16 4.077 -10.550 1.307 0.000 +ATOM 30 CA PRO 17 0.598 -11.740 -2.626 0.000 +ATOM 31 CB PRO 17 0.188 -10.728 -1.841 0.000 +ATOM 32 CA PRO 18 2.764 -10.730 -5.580 0.000 +ATOM 33 CB PRO 18 1.981 -11.608 -6.232 0.000 +ATOM 34 CA PRO 19 2.856 -7.065 -6.578 0.000 +ATOM 35 CB PRO 19 3.747 -6.997 -5.572 0.000 +ATOM 36 CA SER 20 4.227 -7.802 -10.044 0.000 +ATOM 37 CB SER 20 5.197 -8.419 -10.003 0.000 +TER +CONECT 1 3 2 +CONECT 3 5 4 +CONECT 5 7 6 +CONECT 7 9 8 +CONECT 9 11 10 +CONECT 11 13 12 +CONECT 13 15 14 +CONECT 15 17 16 +CONECT 17 19 18 +CONECT 19 20 +CONECT 20 21 +CONECT 21 23 22 +CONECT 23 25 24 +CONECT 25 27 26 +CONECT 27 28 +CONECT 28 30 29 +CONECT 30 32 31 +CONECT 32 34 33 +CONECT 34 36 35 +CONECT 36 37 +ENDMDL diff --git a/examples/unres/CSA/GAB/CSA/global/unrestrained/1l2y_csa@036.pdb b/examples/unres/CSA/GAB/CSA/global/unrestrained/1l2y_csa@036.pdb new file mode 100644 index 0000000..115e95a --- /dev/null +++ b/examples/unres/CSA/GAB/CSA/global/unrestrained/1l2y_csa@036.pdb @@ -0,0 +1,61 @@ +REMARK GM 36 e 8637668 m 28385 ENERGY -9.22628E+01 +HELIX 1 H1 TYR 3 GLY 10 1 7 +ATOM 1 CA ASN 1 3.800 0.000 0.000 0.000 +ATOM 2 CB ASN 1 5.420 0.437 0.148 0.000 +ATOM 3 CA LEU 2 4.054 -3.791 0.000 0.000 +ATOM 4 CB LEU 2 3.622 -5.635 -0.419 0.000 +ATOM 5 CA TYR 3 6.071 -3.752 -3.220 0.000 +ATOM 6 CB TYR 3 5.925 -1.303 -3.604 0.000 +ATOM 7 CA ILE 4 9.303 -3.196 -1.300 0.000 +ATOM 8 CB ILE 4 10.018 -1.602 -0.979 0.000 +ATOM 9 CA GLN 5 8.317 -5.860 1.223 0.000 +ATOM 10 CB GLN 5 7.160 -4.405 2.473 0.000 +ATOM 11 CA TRP 6 7.170 -8.126 -1.603 0.000 +ATOM 12 CB TRP 6 5.716 -10.163 -2.327 0.000 +ATOM 13 CA LEU 7 10.247 -7.221 -3.642 0.000 +ATOM 14 CB LEU 7 9.037 -6.568 -5.009 0.000 +ATOM 15 CA LYS 8 12.483 -7.940 -0.654 0.000 +ATOM 16 CB LYS 8 12.924 -5.577 0.168 0.000 +ATOM 17 CA ASP 9 10.716 -11.233 0.037 0.000 +ATOM 18 CB ASP 9 9.270 -10.565 0.656 0.000 +ATOM 19 CA GLY 10 12.524 -12.825 -2.902 0.000 +ATOM 20 CA GLY 11 11.102 -10.897 -5.852 0.000 +ATOM 21 CA PRO 12 7.511 -12.112 -5.581 0.000 +ATOM 22 CB PRO 12 6.997 -11.017 -6.168 0.000 +ATOM 23 CA SER 13 8.571 -15.542 -4.335 0.000 +ATOM 24 CB SER 13 9.699 -15.657 -4.147 0.000 +ATOM 25 CA SER 14 7.597 -14.864 -0.725 0.000 +ATOM 26 CB SER 14 7.252 -13.785 -0.523 0.000 +ATOM 27 CA GLY 15 4.463 -16.425 0.751 0.000 +ATOM 28 CA ARG 16 2.264 -13.398 0.085 0.000 +ATOM 29 CB ARG 16 3.956 -11.042 0.925 0.000 +ATOM 30 CA PRO 17 0.527 -12.230 -3.086 0.000 +ATOM 31 CB PRO 17 0.515 -11.057 -2.428 0.000 +ATOM 32 CA PRO 18 2.809 -10.882 -5.809 0.000 +ATOM 33 CB PRO 18 2.167 -11.809 -6.542 0.000 +ATOM 34 CA PRO 19 2.699 -7.157 -6.551 0.000 +ATOM 35 CB PRO 19 3.640 -7.069 -5.593 0.000 +ATOM 36 CA SER 20 3.987 -7.595 -10.099 0.000 +ATOM 37 CB SER 20 4.962 -8.205 -10.126 0.000 +TER +CONECT 1 3 2 +CONECT 3 5 4 +CONECT 5 7 6 +CONECT 7 9 8 +CONECT 9 11 10 +CONECT 11 13 12 +CONECT 13 15 14 +CONECT 15 17 16 +CONECT 17 19 18 +CONECT 19 20 +CONECT 20 21 +CONECT 21 23 22 +CONECT 23 25 24 +CONECT 25 27 26 +CONECT 27 28 +CONECT 28 30 29 +CONECT 30 32 31 +CONECT 32 34 33 +CONECT 34 36 35 +CONECT 36 37 +ENDMDL diff --git a/examples/unres/CSA/GAB/CSA/global/unrestrained/1l2y_csa@037.pdb b/examples/unres/CSA/GAB/CSA/global/unrestrained/1l2y_csa@037.pdb new file mode 100644 index 0000000..fee2658 --- /dev/null +++ b/examples/unres/CSA/GAB/CSA/global/unrestrained/1l2y_csa@037.pdb @@ -0,0 +1,61 @@ +REMARK GM 37 e 8749202 m 28778 ENERGY -9.23023E+01 +HELIX 1 H1 TYR 3 GLY 10 1 7 +ATOM 1 CA ASN 1 3.800 0.000 0.000 0.000 +ATOM 2 CB ASN 1 5.418 0.441 0.152 0.000 +ATOM 3 CA LEU 2 4.056 -3.791 0.000 0.000 +ATOM 4 CB LEU 2 3.630 -5.640 -0.401 0.000 +ATOM 5 CA TYR 3 6.054 -3.754 -3.232 0.000 +ATOM 6 CB TYR 3 5.893 -1.304 -3.605 0.000 +ATOM 7 CA ILE 4 9.298 -3.212 -1.329 0.000 +ATOM 8 CB ILE 4 10.000 -1.616 -0.993 0.000 +ATOM 9 CA GLN 5 8.313 -5.876 1.196 0.000 +ATOM 10 CB GLN 5 7.184 -4.403 2.451 0.000 +ATOM 11 CA TRP 6 7.144 -8.134 -1.628 0.000 +ATOM 12 CB TRP 6 5.708 -10.172 -2.383 0.000 +ATOM 13 CA LEU 7 10.213 -7.234 -3.680 0.000 +ATOM 14 CB LEU 7 8.996 -6.654 -5.075 0.000 +ATOM 15 CA LYS 8 12.461 -7.938 -0.699 0.000 +ATOM 16 CB LYS 8 12.897 -5.584 0.154 0.000 +ATOM 17 CA ASP 9 10.722 -11.244 -0.002 0.000 +ATOM 18 CB ASP 9 9.263 -10.594 0.605 0.000 +ATOM 19 CA GLY 10 12.575 -12.836 -2.913 0.000 +ATOM 20 CA GLY 11 11.155 -10.923 -5.873 0.000 +ATOM 21 CA PRO 12 7.579 -12.186 -5.625 0.000 +ATOM 22 CB PRO 12 7.026 -11.092 -6.178 0.000 +ATOM 23 CA SER 13 8.675 -15.599 -4.365 0.000 +ATOM 24 CB SER 13 9.803 -15.702 -4.167 0.000 +ATOM 25 CA SER 14 7.634 -14.916 -0.774 0.000 +ATOM 26 CB SER 14 7.278 -13.837 -0.599 0.000 +ATOM 27 CA GLY 15 4.473 -16.479 0.641 0.000 +ATOM 28 CA ARG 16 2.290 -13.445 -0.049 0.000 +ATOM 29 CB ARG 16 3.968 -11.104 0.858 0.000 +ATOM 30 CA PRO 17 0.558 -12.229 -3.204 0.000 +ATOM 31 CB PRO 17 0.562 -11.055 -2.548 0.000 +ATOM 32 CA PRO 18 2.846 -10.888 -5.926 0.000 +ATOM 33 CB PRO 18 2.208 -11.823 -6.652 0.000 +ATOM 34 CA PRO 19 2.711 -7.151 -6.603 0.000 +ATOM 35 CB PRO 19 3.615 -7.054 -5.612 0.000 +ATOM 36 CA SER 20 4.450 -7.431 -9.971 0.000 +ATOM 37 CB SER 20 5.568 -7.679 -9.869 0.000 +TER +CONECT 1 3 2 +CONECT 3 5 4 +CONECT 5 7 6 +CONECT 7 9 8 +CONECT 9 11 10 +CONECT 11 13 12 +CONECT 13 15 14 +CONECT 15 17 16 +CONECT 17 19 18 +CONECT 19 20 +CONECT 20 21 +CONECT 21 23 22 +CONECT 23 25 24 +CONECT 25 27 26 +CONECT 27 28 +CONECT 28 30 29 +CONECT 30 32 31 +CONECT 32 34 33 +CONECT 34 36 35 +CONECT 36 37 +ENDMDL diff --git a/examples/unres/CSA/GAB/CSA/global/unrestrained/1l2y_csa@038.pdb b/examples/unres/CSA/GAB/CSA/global/unrestrained/1l2y_csa@038.pdb new file mode 100644 index 0000000..7618b34 --- /dev/null +++ b/examples/unres/CSA/GAB/CSA/global/unrestrained/1l2y_csa@038.pdb @@ -0,0 +1,61 @@ +REMARK GM 38 e 8861871 m 29154 ENERGY -9.23025E+01 +HELIX 1 H1 TYR 3 GLY 10 1 7 +ATOM 1 CA ASN 1 3.800 0.000 0.000 0.000 +ATOM 2 CB ASN 1 5.418 0.442 0.153 0.000 +ATOM 3 CA LEU 2 4.057 -3.791 0.000 0.000 +ATOM 4 CB LEU 2 3.632 -5.640 -0.401 0.000 +ATOM 5 CA TYR 3 6.071 -3.753 -3.222 0.000 +ATOM 6 CB TYR 3 5.914 -1.302 -3.598 0.000 +ATOM 7 CA ILE 4 9.306 -3.213 -1.303 0.000 +ATOM 8 CB ILE 4 10.008 -1.618 -0.964 0.000 +ATOM 9 CA GLN 5 8.307 -5.876 1.217 0.000 +ATOM 10 CB GLN 5 7.172 -4.404 2.466 0.000 +ATOM 11 CA TRP 6 7.150 -8.134 -1.612 0.000 +ATOM 12 CB TRP 6 5.718 -10.172 -2.374 0.000 +ATOM 13 CA LEU 7 10.229 -7.235 -3.651 0.000 +ATOM 14 CB LEU 7 9.018 -6.655 -5.051 0.000 +ATOM 15 CA LYS 8 12.464 -7.940 -0.660 0.000 +ATOM 16 CB LYS 8 12.896 -5.587 0.195 0.000 +ATOM 17 CA ASP 9 10.721 -11.246 0.028 0.000 +ATOM 18 CB ASP 9 9.259 -10.596 0.629 0.000 +ATOM 19 CA GLY 10 12.586 -12.836 -2.876 0.000 +ATOM 20 CA GLY 11 11.178 -10.922 -5.841 0.000 +ATOM 21 CA PRO 12 7.602 -12.187 -5.609 0.000 +ATOM 22 CB PRO 12 7.051 -11.093 -6.165 0.000 +ATOM 23 CA SER 13 8.693 -15.600 -4.345 0.000 +ATOM 24 CB SER 13 9.820 -15.703 -4.142 0.000 +ATOM 25 CA SER 14 7.637 -14.918 -0.759 0.000 +ATOM 26 CB SER 14 7.281 -13.838 -0.585 0.000 +ATOM 27 CA GLY 15 4.469 -16.480 0.642 0.000 +ATOM 28 CA ARG 16 2.290 -13.446 -0.056 0.000 +ATOM 29 CB ARG 16 3.964 -11.104 0.858 0.000 +ATOM 30 CA PRO 17 0.571 -12.228 -3.218 0.000 +ATOM 31 CB PRO 17 0.572 -11.055 -2.561 0.000 +ATOM 32 CA PRO 18 2.870 -10.886 -5.930 0.000 +ATOM 33 CB PRO 18 2.235 -11.821 -6.659 0.000 +ATOM 34 CA PRO 19 2.739 -7.149 -6.605 0.000 +ATOM 35 CB PRO 19 3.640 -7.052 -5.611 0.000 +ATOM 36 CA SER 20 4.495 -7.427 -9.964 0.000 +ATOM 37 CB SER 20 5.614 -7.672 -9.858 0.000 +TER +CONECT 1 3 2 +CONECT 3 5 4 +CONECT 5 7 6 +CONECT 7 9 8 +CONECT 9 11 10 +CONECT 11 13 12 +CONECT 13 15 14 +CONECT 15 17 16 +CONECT 17 19 18 +CONECT 19 20 +CONECT 20 21 +CONECT 21 23 22 +CONECT 23 25 24 +CONECT 25 27 26 +CONECT 27 28 +CONECT 28 30 29 +CONECT 30 32 31 +CONECT 32 34 33 +CONECT 34 36 35 +CONECT 36 37 +ENDMDL diff --git a/examples/unres/CSA/GAB/CSA/global/unrestrained/1l2y_csa@039.pdb b/examples/unres/CSA/GAB/CSA/global/unrestrained/1l2y_csa@039.pdb new file mode 100644 index 0000000..6cd0945 --- /dev/null +++ b/examples/unres/CSA/GAB/CSA/global/unrestrained/1l2y_csa@039.pdb @@ -0,0 +1,61 @@ +REMARK GM 39 e 8978923 m 29574 ENERGY -9.23025E+01 +HELIX 1 H1 TYR 3 GLY 10 1 7 +ATOM 1 CA ASN 1 3.800 0.000 0.000 0.000 +ATOM 2 CB ASN 1 5.418 0.441 0.152 0.000 +ATOM 3 CA LEU 2 4.056 -3.791 0.000 0.000 +ATOM 4 CB LEU 2 3.631 -5.640 -0.401 0.000 +ATOM 5 CA TYR 3 6.063 -3.754 -3.227 0.000 +ATOM 6 CB TYR 3 5.904 -1.303 -3.602 0.000 +ATOM 7 CA ILE 4 9.302 -3.213 -1.315 0.000 +ATOM 8 CB ILE 4 10.004 -1.617 -0.977 0.000 +ATOM 9 CA GLN 5 8.310 -5.877 1.207 0.000 +ATOM 10 CB GLN 5 7.178 -4.403 2.459 0.000 +ATOM 11 CA TRP 6 7.147 -8.134 -1.619 0.000 +ATOM 12 CB TRP 6 5.713 -10.172 -2.378 0.000 +ATOM 13 CA LEU 7 10.221 -7.235 -3.664 0.000 +ATOM 14 CB LEU 7 9.008 -6.656 -5.061 0.000 +ATOM 15 CA LYS 8 12.462 -7.940 -0.677 0.000 +ATOM 16 CB LYS 8 12.896 -5.586 0.177 0.000 +ATOM 17 CA ASP 9 10.721 -11.246 0.016 0.000 +ATOM 18 CB ASP 9 9.261 -10.595 0.619 0.000 +ATOM 19 CA GLY 10 12.581 -12.837 -2.890 0.000 +ATOM 20 CA GLY 11 11.168 -10.924 -5.854 0.000 +ATOM 21 CA PRO 12 7.592 -12.187 -5.614 0.000 +ATOM 22 CB PRO 12 7.040 -11.094 -6.169 0.000 +ATOM 23 CA SER 13 8.685 -15.601 -4.351 0.000 +ATOM 24 CB SER 13 9.813 -15.704 -4.150 0.000 +ATOM 25 CA SER 14 7.635 -14.917 -0.763 0.000 +ATOM 26 CB SER 14 7.279 -13.838 -0.589 0.000 +ATOM 27 CA GLY 15 4.470 -16.480 0.645 0.000 +ATOM 28 CA ARG 16 2.290 -13.446 -0.050 0.000 +ATOM 29 CB ARG 16 3.966 -11.104 0.859 0.000 +ATOM 30 CA PRO 17 0.565 -12.230 -3.210 0.000 +ATOM 31 CB PRO 17 0.567 -11.056 -2.554 0.000 +ATOM 32 CA PRO 18 2.859 -10.888 -5.927 0.000 +ATOM 33 CB PRO 18 2.222 -11.824 -6.654 0.000 +ATOM 34 CA PRO 19 2.725 -7.151 -6.603 0.000 +ATOM 35 CB PRO 19 3.628 -7.054 -5.611 0.000 +ATOM 36 CA SER 20 4.476 -7.430 -9.965 0.000 +ATOM 37 CB SER 20 5.594 -7.674 -9.859 0.000 +TER +CONECT 1 3 2 +CONECT 3 5 4 +CONECT 5 7 6 +CONECT 7 9 8 +CONECT 9 11 10 +CONECT 11 13 12 +CONECT 13 15 14 +CONECT 15 17 16 +CONECT 17 19 18 +CONECT 19 20 +CONECT 20 21 +CONECT 21 23 22 +CONECT 23 25 24 +CONECT 25 27 26 +CONECT 27 28 +CONECT 28 30 29 +CONECT 30 32 31 +CONECT 32 34 33 +CONECT 34 36 35 +CONECT 36 37 +ENDMDL diff --git a/examples/unres/CSA/GAB/CSA/global/unrestrained/1l2y_csa@040.pdb b/examples/unres/CSA/GAB/CSA/global/unrestrained/1l2y_csa@040.pdb new file mode 100644 index 0000000..5a445ae --- /dev/null +++ b/examples/unres/CSA/GAB/CSA/global/unrestrained/1l2y_csa@040.pdb @@ -0,0 +1,61 @@ +REMARK GM 40 e 9397508 m 31019 ENERGY -9.25426E+01 +HELIX 1 H1 TYR 3 GLY 10 1 7 +ATOM 1 CA ASN 1 3.800 0.000 0.000 0.000 +ATOM 2 CB ASN 1 5.421 0.436 0.139 0.000 +ATOM 3 CA LEU 2 4.056 -3.791 0.000 0.000 +ATOM 4 CB LEU 2 3.616 -5.636 -0.404 0.000 +ATOM 5 CA TYR 3 6.087 -3.753 -3.211 0.000 +ATOM 6 CB TYR 3 5.943 -1.305 -3.608 0.000 +ATOM 7 CA ILE 4 9.313 -3.204 -1.278 0.000 +ATOM 8 CB ILE 4 10.025 -1.609 -0.955 0.000 +ATOM 9 CA GLN 5 8.307 -5.858 1.249 0.000 +ATOM 10 CB GLN 5 7.151 -4.393 2.487 0.000 +ATOM 11 CA TRP 6 7.163 -8.129 -1.575 0.000 +ATOM 12 CB TRP 6 5.706 -10.158 -2.315 0.000 +ATOM 13 CA LEU 7 10.246 -7.233 -3.609 0.000 +ATOM 14 CB LEU 7 9.045 -6.610 -4.997 0.000 +ATOM 15 CA LYS 8 12.475 -7.941 -0.613 0.000 +ATOM 16 CB LYS 8 12.917 -5.580 0.215 0.000 +ATOM 17 CA ASP 9 10.707 -11.230 0.090 0.000 +ATOM 18 CB ASP 9 9.256 -10.561 0.696 0.000 +ATOM 19 CA GLY 10 12.540 -12.844 -2.821 0.000 +ATOM 20 CA GLY 11 11.141 -10.926 -5.788 0.000 +ATOM 21 CA PRO 12 7.549 -12.143 -5.540 0.000 +ATOM 22 CB PRO 12 7.025 -11.046 -6.116 0.000 +ATOM 23 CA SER 13 8.601 -15.566 -4.268 0.000 +ATOM 24 CB SER 13 9.728 -15.681 -4.072 0.000 +ATOM 25 CA SER 14 7.581 -14.865 -0.675 0.000 +ATOM 26 CB SER 14 7.237 -13.783 -0.491 0.000 +ATOM 27 CA GLY 15 4.421 -16.404 0.769 0.000 +ATOM 28 CA ARG 16 2.239 -13.377 0.049 0.000 +ATOM 29 CB ARG 16 3.941 -11.042 0.928 0.000 +ATOM 30 CA PRO 17 0.528 -12.210 -3.136 0.000 +ATOM 31 CB PRO 17 0.511 -11.035 -2.482 0.000 +ATOM 32 CA PRO 18 2.833 -10.864 -5.841 0.000 +ATOM 33 CB PRO 18 2.194 -11.791 -6.577 0.000 +ATOM 34 CA PRO 19 2.721 -7.131 -6.541 0.000 +ATOM 35 CB PRO 19 3.653 -7.051 -5.575 0.000 +ATOM 36 CA SER 20 4.010 -7.509 -10.095 0.000 +ATOM 37 CB SER 20 5.056 -7.372 -9.638 0.000 +TER +CONECT 1 3 2 +CONECT 3 5 4 +CONECT 5 7 6 +CONECT 7 9 8 +CONECT 9 11 10 +CONECT 11 13 12 +CONECT 13 15 14 +CONECT 15 17 16 +CONECT 17 19 18 +CONECT 19 20 +CONECT 20 21 +CONECT 21 23 22 +CONECT 23 25 24 +CONECT 25 27 26 +CONECT 27 28 +CONECT 28 30 29 +CONECT 30 32 31 +CONECT 32 34 33 +CONECT 34 36 35 +CONECT 36 37 +ENDMDL diff --git a/examples/unres/CSA/GAB/CSA/global/unrestrained/1l2y_csa@041.pdb b/examples/unres/CSA/GAB/CSA/global/unrestrained/1l2y_csa@041.pdb new file mode 100644 index 0000000..da83642 --- /dev/null +++ b/examples/unres/CSA/GAB/CSA/global/unrestrained/1l2y_csa@041.pdb @@ -0,0 +1,61 @@ +REMARK GM 41 e 9401072 m 31028 ENERGY -9.25427E+01 +HELIX 1 H1 TYR 3 GLY 10 1 7 +ATOM 1 CA ASN 1 3.800 0.000 0.000 0.000 +ATOM 2 CB ASN 1 5.419 0.441 0.147 0.000 +ATOM 3 CA LEU 2 4.057 -3.791 0.000 0.000 +ATOM 4 CB LEU 2 3.624 -5.637 -0.407 0.000 +ATOM 5 CA TYR 3 6.086 -3.752 -3.212 0.000 +ATOM 6 CB TYR 3 5.933 -1.304 -3.603 0.000 +ATOM 7 CA ILE 4 9.311 -3.197 -1.281 0.000 +ATOM 8 CB ILE 4 10.018 -1.601 -0.956 0.000 +ATOM 9 CA GLN 5 8.313 -5.856 1.244 0.000 +ATOM 10 CB GLN 5 7.156 -4.394 2.485 0.000 +ATOM 11 CA TRP 6 7.173 -8.126 -1.583 0.000 +ATOM 12 CB TRP 6 5.720 -10.157 -2.325 0.000 +ATOM 13 CA LEU 7 10.253 -7.222 -3.616 0.000 +ATOM 14 CB LEU 7 9.050 -6.600 -5.004 0.000 +ATOM 15 CA LYS 8 12.484 -7.929 -0.622 0.000 +ATOM 16 CB LYS 8 12.921 -5.568 0.210 0.000 +ATOM 17 CA ASP 9 10.723 -11.223 0.078 0.000 +ATOM 18 CB ASP 9 9.271 -10.556 0.685 0.000 +ATOM 19 CA GLY 10 12.559 -12.829 -2.835 0.000 +ATOM 20 CA GLY 11 11.155 -10.911 -5.800 0.000 +ATOM 21 CA PRO 12 7.566 -12.135 -5.552 0.000 +ATOM 22 CB PRO 12 7.040 -11.039 -6.127 0.000 +ATOM 23 CA SER 13 8.625 -15.557 -4.284 0.000 +ATOM 24 CB SER 13 9.752 -15.671 -4.088 0.000 +ATOM 25 CA SER 14 7.604 -14.862 -0.690 0.000 +ATOM 26 CB SER 14 7.258 -13.782 -0.505 0.000 +ATOM 27 CA GLY 15 4.448 -16.408 0.754 0.000 +ATOM 28 CA ARG 16 2.262 -13.384 0.038 0.000 +ATOM 29 CB ARG 16 3.959 -11.046 0.919 0.000 +ATOM 30 CA PRO 17 0.546 -12.216 -3.145 0.000 +ATOM 31 CB PRO 17 0.529 -11.041 -2.491 0.000 +ATOM 32 CA PRO 18 2.847 -10.866 -5.851 0.000 +ATOM 33 CB PRO 18 2.209 -11.793 -6.587 0.000 +ATOM 34 CA PRO 19 2.729 -7.132 -6.549 0.000 +ATOM 35 CB PRO 19 3.660 -7.051 -5.582 0.000 +ATOM 36 CA SER 20 4.020 -7.507 -10.103 0.000 +ATOM 37 CB SER 20 5.066 -7.367 -9.646 0.000 +TER +CONECT 1 3 2 +CONECT 3 5 4 +CONECT 5 7 6 +CONECT 7 9 8 +CONECT 9 11 10 +CONECT 11 13 12 +CONECT 13 15 14 +CONECT 15 17 16 +CONECT 17 19 18 +CONECT 19 20 +CONECT 20 21 +CONECT 21 23 22 +CONECT 23 25 24 +CONECT 25 27 26 +CONECT 27 28 +CONECT 28 30 29 +CONECT 30 32 31 +CONECT 32 34 33 +CONECT 34 36 35 +CONECT 36 37 +ENDMDL diff --git a/examples/unres/CSA/GAB/CSA/global/unrestrained/1l2y_csa@042.pdb b/examples/unres/CSA/GAB/CSA/global/unrestrained/1l2y_csa@042.pdb new file mode 100644 index 0000000..9ccda21 --- /dev/null +++ b/examples/unres/CSA/GAB/CSA/global/unrestrained/1l2y_csa@042.pdb @@ -0,0 +1,61 @@ +REMARK GM 42 e 9587567 m 31660 ENERGY -9.25428E+01 +HELIX 1 H1 TYR 3 GLY 10 1 7 +ATOM 1 CA ASN 1 3.800 0.000 0.000 0.000 +ATOM 2 CB ASN 1 5.419 0.441 0.147 0.000 +ATOM 3 CA LEU 2 4.056 -3.791 0.000 0.000 +ATOM 4 CB LEU 2 3.621 -5.636 -0.407 0.000 +ATOM 5 CA TYR 3 6.086 -3.752 -3.213 0.000 +ATOM 6 CB TYR 3 5.935 -1.303 -3.603 0.000 +ATOM 7 CA ILE 4 9.311 -3.198 -1.281 0.000 +ATOM 8 CB ILE 4 10.018 -1.601 -0.957 0.000 +ATOM 9 CA GLN 5 8.311 -5.855 1.244 0.000 +ATOM 10 CB GLN 5 7.155 -4.392 2.484 0.000 +ATOM 11 CA TRP 6 7.170 -8.126 -1.581 0.000 +ATOM 12 CB TRP 6 5.717 -10.156 -2.322 0.000 +ATOM 13 CA LEU 7 10.251 -7.224 -3.614 0.000 +ATOM 14 CB LEU 7 9.048 -6.603 -5.002 0.000 +ATOM 15 CA LYS 8 12.481 -7.930 -0.619 0.000 +ATOM 16 CB LYS 8 12.919 -5.569 0.211 0.000 +ATOM 17 CA ASP 9 10.719 -11.223 0.082 0.000 +ATOM 18 CB ASP 9 9.267 -10.556 0.689 0.000 +ATOM 19 CA GLY 10 12.555 -12.831 -2.830 0.000 +ATOM 20 CA GLY 11 11.152 -10.914 -5.796 0.000 +ATOM 21 CA PRO 12 7.563 -12.137 -5.548 0.000 +ATOM 22 CB PRO 12 7.037 -11.041 -6.124 0.000 +ATOM 23 CA SER 13 8.620 -15.559 -4.278 0.000 +ATOM 24 CB SER 13 9.748 -15.673 -4.082 0.000 +ATOM 25 CA SER 14 7.599 -14.862 -0.685 0.000 +ATOM 26 CB SER 14 7.253 -13.781 -0.501 0.000 +ATOM 27 CA GLY 15 4.442 -16.406 0.759 0.000 +ATOM 28 CA ARG 16 2.256 -13.382 0.041 0.000 +ATOM 29 CB ARG 16 3.954 -11.044 0.921 0.000 +ATOM 30 CA PRO 17 0.541 -12.215 -3.143 0.000 +ATOM 31 CB PRO 17 0.524 -11.040 -2.489 0.000 +ATOM 32 CA PRO 18 2.843 -10.866 -5.849 0.000 +ATOM 33 CB PRO 18 2.204 -11.794 -6.585 0.000 +ATOM 34 CA PRO 19 2.726 -7.133 -6.548 0.000 +ATOM 35 CB PRO 19 3.658 -7.052 -5.581 0.000 +ATOM 36 CA SER 20 4.018 -7.509 -10.102 0.000 +ATOM 37 CB SER 20 5.064 -7.370 -9.644 0.000 +TER +CONECT 1 3 2 +CONECT 3 5 4 +CONECT 5 7 6 +CONECT 7 9 8 +CONECT 9 11 10 +CONECT 11 13 12 +CONECT 13 15 14 +CONECT 15 17 16 +CONECT 17 19 18 +CONECT 19 20 +CONECT 20 21 +CONECT 21 23 22 +CONECT 23 25 24 +CONECT 25 27 26 +CONECT 27 28 +CONECT 28 30 29 +CONECT 30 32 31 +CONECT 32 34 33 +CONECT 34 36 35 +CONECT 36 37 +ENDMDL diff --git a/examples/unres/CSA/GAB/CSA/global/unrestrained/1l2y_csa@043.pdb b/examples/unres/CSA/GAB/CSA/global/unrestrained/1l2y_csa@043.pdb new file mode 100644 index 0000000..053aa6b --- /dev/null +++ b/examples/unres/CSA/GAB/CSA/global/unrestrained/1l2y_csa@043.pdb @@ -0,0 +1,61 @@ +REMARK GM 43 e 10303226 m 34180 ENERGY -9.25428E+01 +HELIX 1 H1 TYR 3 GLY 10 1 7 +ATOM 1 CA ASN 1 3.800 0.000 0.000 0.000 +ATOM 2 CB ASN 1 5.419 0.441 0.147 0.000 +ATOM 3 CA LEU 2 4.056 -3.791 0.000 0.000 +ATOM 4 CB LEU 2 3.620 -5.636 -0.407 0.000 +ATOM 5 CA TYR 3 6.086 -3.752 -3.213 0.000 +ATOM 6 CB TYR 3 5.936 -1.303 -3.603 0.000 +ATOM 7 CA ILE 4 9.311 -3.198 -1.281 0.000 +ATOM 8 CB ILE 4 10.018 -1.602 -0.956 0.000 +ATOM 9 CA GLN 5 8.311 -5.855 1.245 0.000 +ATOM 10 CB GLN 5 7.155 -4.392 2.484 0.000 +ATOM 11 CA TRP 6 7.170 -8.126 -1.581 0.000 +ATOM 12 CB TRP 6 5.716 -10.156 -2.322 0.000 +ATOM 13 CA LEU 7 10.251 -7.225 -3.614 0.000 +ATOM 14 CB LEU 7 9.048 -6.603 -5.002 0.000 +ATOM 15 CA LYS 8 12.480 -7.930 -0.619 0.000 +ATOM 16 CB LYS 8 12.918 -5.569 0.211 0.000 +ATOM 17 CA ASP 9 10.718 -11.223 0.083 0.000 +ATOM 18 CB ASP 9 9.266 -10.556 0.689 0.000 +ATOM 19 CA GLY 10 12.554 -12.832 -2.829 0.000 +ATOM 20 CA GLY 11 11.151 -10.915 -5.795 0.000 +ATOM 21 CA PRO 12 7.562 -12.138 -5.548 0.000 +ATOM 22 CB PRO 12 7.036 -11.042 -6.124 0.000 +ATOM 23 CA SER 13 8.619 -15.560 -4.277 0.000 +ATOM 24 CB SER 13 9.747 -15.673 -4.081 0.000 +ATOM 25 CA SER 14 7.598 -14.862 -0.684 0.000 +ATOM 26 CB SER 14 7.252 -13.781 -0.500 0.000 +ATOM 27 CA GLY 15 4.440 -16.406 0.760 0.000 +ATOM 28 CA ARG 16 2.255 -13.381 0.041 0.000 +ATOM 29 CB ARG 16 3.952 -11.043 0.921 0.000 +ATOM 30 CA PRO 17 0.540 -12.214 -3.143 0.000 +ATOM 31 CB PRO 17 0.523 -11.039 -2.489 0.000 +ATOM 32 CA PRO 18 2.843 -10.866 -5.849 0.000 +ATOM 33 CB PRO 18 2.204 -11.793 -6.585 0.000 +ATOM 34 CA PRO 19 2.726 -7.133 -6.548 0.000 +ATOM 35 CB PRO 19 3.658 -7.052 -5.581 0.000 +ATOM 36 CA SER 20 4.018 -7.509 -10.102 0.000 +ATOM 37 CB SER 20 5.064 -7.370 -9.644 0.000 +TER +CONECT 1 3 2 +CONECT 3 5 4 +CONECT 5 7 6 +CONECT 7 9 8 +CONECT 9 11 10 +CONECT 11 13 12 +CONECT 13 15 14 +CONECT 15 17 16 +CONECT 17 19 18 +CONECT 19 20 +CONECT 20 21 +CONECT 21 23 22 +CONECT 23 25 24 +CONECT 25 27 26 +CONECT 27 28 +CONECT 28 30 29 +CONECT 30 32 31 +CONECT 32 34 33 +CONECT 34 36 35 +CONECT 36 37 +ENDMDL diff --git a/examples/unres/CSA/GAB/CSA/global/unrestrained/1l2y_csa@044.pdb b/examples/unres/CSA/GAB/CSA/global/unrestrained/1l2y_csa@044.pdb new file mode 100644 index 0000000..687b8f7 --- /dev/null +++ b/examples/unres/CSA/GAB/CSA/global/unrestrained/1l2y_csa@044.pdb @@ -0,0 +1,61 @@ +REMARK GM 44 e 11152704 m 37113 ENERGY -9.25428E+01 +HELIX 1 H1 TYR 3 GLY 10 1 7 +ATOM 1 CA ASN 1 3.800 0.000 0.000 0.000 +ATOM 2 CB ASN 1 5.419 0.441 0.147 0.000 +ATOM 3 CA LEU 2 4.056 -3.791 0.000 0.000 +ATOM 4 CB LEU 2 3.620 -5.636 -0.407 0.000 +ATOM 5 CA TYR 3 6.086 -3.752 -3.213 0.000 +ATOM 6 CB TYR 3 5.936 -1.303 -3.603 0.000 +ATOM 7 CA ILE 4 9.311 -3.198 -1.281 0.000 +ATOM 8 CB ILE 4 10.018 -1.602 -0.956 0.000 +ATOM 9 CA GLN 5 8.311 -5.855 1.245 0.000 +ATOM 10 CB GLN 5 7.154 -4.392 2.484 0.000 +ATOM 11 CA TRP 6 7.169 -8.126 -1.581 0.000 +ATOM 12 CB TRP 6 5.715 -10.156 -2.322 0.000 +ATOM 13 CA LEU 7 10.251 -7.225 -3.614 0.000 +ATOM 14 CB LEU 7 9.048 -6.603 -5.002 0.000 +ATOM 15 CA LYS 8 12.480 -7.931 -0.619 0.000 +ATOM 16 CB LYS 8 12.918 -5.569 0.212 0.000 +ATOM 17 CA ASP 9 10.718 -11.223 0.083 0.000 +ATOM 18 CB ASP 9 9.266 -10.556 0.689 0.000 +ATOM 19 CA GLY 10 12.553 -12.832 -2.829 0.000 +ATOM 20 CA GLY 11 11.151 -10.915 -5.795 0.000 +ATOM 21 CA PRO 12 7.562 -12.138 -5.548 0.000 +ATOM 22 CB PRO 12 7.036 -11.042 -6.124 0.000 +ATOM 23 CA SER 13 8.619 -15.560 -4.277 0.000 +ATOM 24 CB SER 13 9.746 -15.673 -4.081 0.000 +ATOM 25 CA SER 14 7.597 -14.862 -0.684 0.000 +ATOM 26 CB SER 14 7.251 -13.781 -0.500 0.000 +ATOM 27 CA GLY 15 4.439 -16.406 0.760 0.000 +ATOM 28 CA ARG 16 2.254 -13.381 0.041 0.000 +ATOM 29 CB ARG 16 3.952 -11.043 0.921 0.000 +ATOM 30 CA PRO 17 0.540 -12.214 -3.143 0.000 +ATOM 31 CB PRO 17 0.523 -11.039 -2.489 0.000 +ATOM 32 CA PRO 18 2.842 -10.866 -5.849 0.000 +ATOM 33 CB PRO 18 2.203 -11.793 -6.585 0.000 +ATOM 34 CA PRO 19 2.726 -7.133 -6.548 0.000 +ATOM 35 CB PRO 19 3.657 -7.052 -5.581 0.000 +ATOM 36 CA SER 20 4.018 -7.509 -10.102 0.000 +ATOM 37 CB SER 20 5.064 -7.370 -9.644 0.000 +TER +CONECT 1 3 2 +CONECT 3 5 4 +CONECT 5 7 6 +CONECT 7 9 8 +CONECT 9 11 10 +CONECT 11 13 12 +CONECT 13 15 14 +CONECT 15 17 16 +CONECT 17 19 18 +CONECT 19 20 +CONECT 20 21 +CONECT 21 23 22 +CONECT 23 25 24 +CONECT 25 27 26 +CONECT 27 28 +CONECT 28 30 29 +CONECT 30 32 31 +CONECT 32 34 33 +CONECT 34 36 35 +CONECT 36 37 +ENDMDL diff --git a/examples/unres/CSA/GAB/CSA/global/unrestrained/1l2y_csa@045.pdb b/examples/unres/CSA/GAB/CSA/global/unrestrained/1l2y_csa@045.pdb new file mode 100644 index 0000000..cc8f078 --- /dev/null +++ b/examples/unres/CSA/GAB/CSA/global/unrestrained/1l2y_csa@045.pdb @@ -0,0 +1,61 @@ +REMARK GM 45 e 11551608 m 38514 ENERGY -9.25429E+01 +HELIX 1 H1 TYR 3 GLY 10 1 7 +ATOM 1 CA ASN 1 3.800 0.000 0.000 0.000 +ATOM 2 CB ASN 1 5.419 0.441 0.147 0.000 +ATOM 3 CA LEU 2 4.056 -3.791 0.000 0.000 +ATOM 4 CB LEU 2 3.619 -5.636 -0.407 0.000 +ATOM 5 CA TYR 3 6.086 -3.752 -3.212 0.000 +ATOM 6 CB TYR 3 5.938 -1.303 -3.603 0.000 +ATOM 7 CA ILE 4 9.311 -3.198 -1.281 0.000 +ATOM 8 CB ILE 4 10.019 -1.602 -0.956 0.000 +ATOM 9 CA GLN 5 8.310 -5.856 1.245 0.000 +ATOM 10 CB GLN 5 7.154 -4.391 2.484 0.000 +ATOM 11 CA TRP 6 7.169 -8.126 -1.580 0.000 +ATOM 12 CB TRP 6 5.714 -10.156 -2.322 0.000 +ATOM 13 CA LEU 7 10.250 -7.226 -3.613 0.000 +ATOM 14 CB LEU 7 9.048 -6.604 -5.002 0.000 +ATOM 15 CA LYS 8 12.479 -7.932 -0.618 0.000 +ATOM 16 CB LYS 8 12.918 -5.570 0.212 0.000 +ATOM 17 CA ASP 9 10.716 -11.224 0.084 0.000 +ATOM 18 CB ASP 9 9.264 -10.556 0.690 0.000 +ATOM 19 CA GLY 10 12.551 -12.833 -2.828 0.000 +ATOM 20 CA GLY 11 11.150 -10.917 -5.794 0.000 +ATOM 21 CA PRO 12 7.560 -12.138 -5.547 0.000 +ATOM 22 CB PRO 12 7.034 -11.042 -6.123 0.000 +ATOM 23 CA SER 13 8.617 -15.560 -4.276 0.000 +ATOM 24 CB SER 13 9.744 -15.674 -4.080 0.000 +ATOM 25 CA SER 14 7.595 -14.862 -0.684 0.000 +ATOM 26 CB SER 14 7.249 -13.781 -0.499 0.000 +ATOM 27 CA GLY 15 4.436 -16.405 0.760 0.000 +ATOM 28 CA ARG 16 2.252 -13.380 0.041 0.000 +ATOM 29 CB ARG 16 3.950 -11.043 0.921 0.000 +ATOM 30 CA PRO 17 0.538 -12.213 -3.143 0.000 +ATOM 31 CB PRO 17 0.521 -11.038 -2.489 0.000 +ATOM 32 CA PRO 18 2.841 -10.866 -5.849 0.000 +ATOM 33 CB PRO 18 2.202 -11.793 -6.585 0.000 +ATOM 34 CA PRO 19 2.726 -7.132 -6.548 0.000 +ATOM 35 CB PRO 19 3.657 -7.052 -5.581 0.000 +ATOM 36 CA SER 20 4.018 -7.509 -10.102 0.000 +ATOM 37 CB SER 20 5.064 -7.370 -9.644 0.000 +TER +CONECT 1 3 2 +CONECT 3 5 4 +CONECT 5 7 6 +CONECT 7 9 8 +CONECT 9 11 10 +CONECT 11 13 12 +CONECT 13 15 14 +CONECT 15 17 16 +CONECT 17 19 18 +CONECT 19 20 +CONECT 20 21 +CONECT 21 23 22 +CONECT 23 25 24 +CONECT 25 27 26 +CONECT 27 28 +CONECT 28 30 29 +CONECT 30 32 31 +CONECT 32 34 33 +CONECT 34 36 35 +CONECT 36 37 +ENDMDL diff --git a/examples/unres/CSA/GAB/CSA/global/unrestrained/1l2y_csa@046.pdb b/examples/unres/CSA/GAB/CSA/global/unrestrained/1l2y_csa@046.pdb new file mode 100644 index 0000000..c081790 --- /dev/null +++ b/examples/unres/CSA/GAB/CSA/global/unrestrained/1l2y_csa@046.pdb @@ -0,0 +1,61 @@ +REMARK GM 46 e 11996534 m 40059 ENERGY -9.25429E+01 +HELIX 1 H1 TYR 3 GLY 10 1 7 +ATOM 1 CA ASN 1 3.800 0.000 0.000 0.000 +ATOM 2 CB ASN 1 5.419 0.441 0.147 0.000 +ATOM 3 CA LEU 2 4.056 -3.791 0.000 0.000 +ATOM 4 CB LEU 2 3.619 -5.636 -0.407 0.000 +ATOM 5 CA TYR 3 6.086 -3.752 -3.212 0.000 +ATOM 6 CB TYR 3 5.938 -1.303 -3.603 0.000 +ATOM 7 CA ILE 4 9.311 -3.198 -1.281 0.000 +ATOM 8 CB ILE 4 10.019 -1.602 -0.956 0.000 +ATOM 9 CA GLN 5 8.310 -5.856 1.245 0.000 +ATOM 10 CB GLN 5 7.154 -4.391 2.484 0.000 +ATOM 11 CA TRP 6 7.169 -8.126 -1.580 0.000 +ATOM 12 CB TRP 6 5.714 -10.156 -2.322 0.000 +ATOM 13 CA LEU 7 10.250 -7.226 -3.613 0.000 +ATOM 14 CB LEU 7 9.048 -6.604 -5.002 0.000 +ATOM 15 CA LYS 8 12.479 -7.932 -0.618 0.000 +ATOM 16 CB LYS 8 12.918 -5.571 0.212 0.000 +ATOM 17 CA ASP 9 10.716 -11.224 0.084 0.000 +ATOM 18 CB ASP 9 9.264 -10.556 0.690 0.000 +ATOM 19 CA GLY 10 12.551 -12.834 -2.828 0.000 +ATOM 20 CA GLY 11 11.150 -10.917 -5.794 0.000 +ATOM 21 CA PRO 12 7.560 -12.138 -5.547 0.000 +ATOM 22 CB PRO 12 7.034 -11.042 -6.123 0.000 +ATOM 23 CA SER 13 8.616 -15.560 -4.276 0.000 +ATOM 24 CB SER 13 9.744 -15.674 -4.080 0.000 +ATOM 25 CA SER 14 7.594 -14.862 -0.683 0.000 +ATOM 26 CB SER 14 7.249 -13.781 -0.499 0.000 +ATOM 27 CA GLY 15 4.436 -16.405 0.760 0.000 +ATOM 28 CA ARG 16 2.252 -13.380 0.041 0.000 +ATOM 29 CB ARG 16 3.950 -11.043 0.921 0.000 +ATOM 30 CA PRO 17 0.538 -12.213 -3.143 0.000 +ATOM 31 CB PRO 17 0.521 -11.038 -2.489 0.000 +ATOM 32 CA PRO 18 2.841 -10.866 -5.849 0.000 +ATOM 33 CB PRO 18 2.202 -11.793 -6.585 0.000 +ATOM 34 CA PRO 19 2.726 -7.132 -6.548 0.000 +ATOM 35 CB PRO 19 3.657 -7.051 -5.581 0.000 +ATOM 36 CA SER 20 4.018 -7.509 -10.102 0.000 +ATOM 37 CB SER 20 5.064 -7.370 -9.644 0.000 +TER +CONECT 1 3 2 +CONECT 3 5 4 +CONECT 5 7 6 +CONECT 7 9 8 +CONECT 9 11 10 +CONECT 11 13 12 +CONECT 13 15 14 +CONECT 15 17 16 +CONECT 17 19 18 +CONECT 19 20 +CONECT 20 21 +CONECT 21 23 22 +CONECT 23 25 24 +CONECT 25 27 26 +CONECT 27 28 +CONECT 28 30 29 +CONECT 30 32 31 +CONECT 32 34 33 +CONECT 34 36 35 +CONECT 36 37 +ENDMDL diff --git a/examples/unres/CSA/GAB/CSA/global/unrestrained/1l2y_csa_12569.int b/examples/unres/CSA/GAB/CSA/global/unrestrained/1l2y_csa_12569.int new file mode 100644 index 0000000..ff13feb --- /dev/null +++ b/examples/unres/CSA/GAB/CSA/global/unrestrained/1l2y_csa_12569.int @@ -0,0 +1,2600 @@ + 1 -87.936 0 + 93.9779 90.9693 89.4753 89.4522 89.3392 89.2763 89.3423 89.3750 + 91.4116 95.6442 132.9479 94.0456 94.5850 133.6960 118.7637 129.5417 + 119.1810 119.3925 93.2047 93.2701 + 125.2076 82.5179 55.6319 42.0308 50.7027 56.2533 52.7098 48.5877 + 169.2963 102.6479 -54.7278 79.5003 -57.0159 -158.2824 171.6209 -87.8151 + -108.9166 -138.6156 75.9049 + 142.5474 130.2592 97.7287 169.5901 136.2606 125.1125 132.8436 125.5367 + 138.4122 0.0000 0.0000 132.6533 118.4186 125.4910 0.0000 109.7703 + 118.1219 111.5255 101.8891 111.7453 + -2.8928 4.7871 -88.7130 -163.1769 -125.1306 36.6412 -140.3263 -136.3401 + -114.8129 0.0000 0.0000 -155.8974 -75.9947 -80.5283 0.0000 -128.1407 + -124.2929 -111.0991 -108.9100 -78.3099 + 2 -86.365 0 + 93.8153 93.1208 124.7412 91.4906 90.3342 90.9250 90.0317 89.7695 + 91.6351 109.7936 118.1199 92.5831 93.2212 94.9227 94.8328 130.4515 + 117.2451 118.1353 93.5550 93.4106 + 108.9334 125.1910 -90.7293 53.1549 42.1481 68.4886 51.2111 77.9930 + -1.3972 -84.5578 -58.7969 69.3104 150.2920 -72.2255 57.2277 -78.3315 + -108.7962 -162.6955 38.2350 + 148.3012 137.1340 92.1119 145.1709 124.4538 117.2562 153.1577 84.1881 + 136.0856 0.0000 0.0000 102.3713 132.7909 123.2596 0.0000 127.9840 + 112.7865 131.8812 91.9872 112.0958 + -17.2924 -29.4512 -91.3176 -121.3716 -96.6148 -19.5166 -93.9759 -82.7034 + -124.9837 0.0000 0.0000 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-74.7659 173.9819 73.4818 45.0512 48.4240 48.4791 39.1189 60.1271 + -77.1300 -64.2986 -38.3775 -29.8641 100.0210 10.9474 -11.5860 -75.6744 + -109.6435 -144.4568 52.6537 + 114.8019 159.9359 141.0887 149.5460 114.7228 132.9962 137.8582 131.2076 + 132.1690 0.0000 0.0000 91.6465 114.6428 105.8388 0.0000 91.2411 + 117.7218 128.8534 97.3710 110.9885 + -81.1911 -8.2561 85.2356 -94.1096 -68.3325 42.0161 -127.5206 -132.3146 + -126.2284 0.0000 0.0000 -80.7009 -75.9611 -79.7954 0.0000 -59.0330 + -121.1535 -136.2977 -95.2162 -81.8067 + 5 -85.429 0 + 93.9288 91.6985 91.8586 91.3419 90.7951 92.0938 90.7816 91.0706 + 94.5685 93.4819 140.1014 93.9981 128.3104 128.5476 95.3506 129.7694 + 118.5259 120.5858 93.5683 93.3167 + 110.5955 78.9360 44.1135 39.8181 44.3858 50.5742 81.9024 14.4755 + -109.4444 152.0384 -34.7980 86.6392 -115.0331 -83.4027 166.0549 -83.7975 + -109.6081 -137.7257 72.7273 + 142.6161 133.9515 99.6106 146.2126 118.2079 129.9721 136.9304 90.5848 + 104.6830 0.0000 0.0000 87.8109 125.4484 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132.2540 92.8573 127.9142 95.5646 120.1546 + 122.4162 110.3173 94.1948 93.4313 + 111.5820 123.6463 -95.7555 55.0677 41.9172 66.5631 43.8303 74.9811 + -77.1157 171.6109 -53.2654 157.1470 104.1280 -55.5894 82.1154 -81.1536 + -163.3524 -165.8557 29.1627 + 152.8467 131.7543 94.4938 144.3777 123.8961 117.5398 154.4433 83.8191 + 138.2770 0.0000 0.0000 107.4963 113.6075 119.9297 0.0000 117.6122 + 116.3624 136.7681 90.5766 116.2814 + -19.3190 -38.4191 -91.2834 -114.5461 -89.8784 -28.3611 -150.3332 -77.7266 + -120.5416 0.0000 0.0000 -101.2719 -76.0821 -82.2299 0.0000 -57.4186 + -119.5327 -153.9562 -80.1864 -80.2624 diff --git a/examples/unres/CSA/GAB/CSA/global/unrestrained/CLUSTER/1l2y_csa_GB000.rms b/examples/unres/CSA/GAB/CSA/global/unrestrained/CLUSTER/1l2y_csa_GB000.rms new file mode 100644 index 0000000..b944b59 --- /dev/null +++ b/examples/unres/CSA/GAB/CSA/global/unrestrained/CLUSTER/1l2y_csa_GB000.rms @@ -0,0 +1 @@ +********** Program terminated normally. diff --git a/examples/unres/CSA/GAB/CSA/global/unrestrained/CLUSTER/1l2y_csa_GB0000001_001.pdb b/examples/unres/CSA/GAB/CSA/global/unrestrained/CLUSTER/1l2y_csa_GB0000001_001.pdb new file mode 100644 index 0000000..1d4d52b --- /dev/null +++ b/examples/unres/CSA/GAB/CSA/global/unrestrained/CLUSTER/1l2y_csa_GB0000001_001.pdb @@ -0,0 +1,59 @@ +REMARK 1l2y ENERGY -9.25400E+01 +ATOM 1 CA ASN 1 3.800 0.000 0.000 +ATOM 2 CB ASN 1 5.419 0.441 0.147 +ATOM 3 CA LEU 2 4.056 -3.791 0.000 +ATOM 4 CB LEU 2 3.619 -5.636 -0.407 +ATOM 5 CA TYR 3 6.086 -3.752 -3.212 +ATOM 6 CB TYR 3 5.938 -1.303 -3.603 +ATOM 7 CA ILE 4 9.311 -3.198 -1.281 +ATOM 8 CB ILE 4 10.019 -1.602 -0.956 +ATOM 9 CA GLN 5 8.310 -5.856 1.245 +ATOM 10 CB GLN 5 7.154 -4.391 2.484 +ATOM 11 CA TRP 6 7.169 -8.126 -1.580 +ATOM 12 CB TRP 6 5.714 -10.156 -2.322 +ATOM 13 CA LEU 7 10.250 -7.226 -3.613 +ATOM 14 CB LEU 7 9.048 -6.604 -5.002 +ATOM 15 CA LYS 8 12.479 -7.932 -0.618 +ATOM 16 CB LYS 8 12.918 -5.571 0.212 +ATOM 17 CA ASP 9 10.716 -11.224 0.084 +ATOM 18 CB ASP 9 9.264 -10.556 0.690 +ATOM 19 CA GLY 10 12.551 -12.834 -2.828 +ATOM 20 CA GLY 11 11.150 -10.917 -5.794 +ATOM 21 CA PRO 12 7.560 -12.138 -5.547 +ATOM 22 CB PRO 12 7.034 -11.042 -6.123 +ATOM 23 CA SER 13 8.616 -15.560 -4.276 +ATOM 24 CB SER 13 9.744 -15.674 -4.080 +ATOM 25 CA SER 14 7.594 -14.862 -0.683 +ATOM 26 CB SER 14 7.249 -13.781 -0.499 +ATOM 27 CA GLY 15 4.436 -16.405 0.760 +ATOM 28 CA ARG 16 2.252 -13.380 0.041 +ATOM 29 CB ARG 16 3.950 -11.043 0.921 +ATOM 30 CA PRO 17 0.538 -12.213 -3.143 +ATOM 31 CB PRO 17 0.521 -11.038 -2.489 +ATOM 32 CA PRO 18 2.841 -10.866 -5.849 +ATOM 33 CB PRO 18 2.202 -11.793 -6.585 +ATOM 34 CA PRO 19 2.726 -7.132 -6.548 +ATOM 35 CB PRO 19 3.657 -7.051 -5.581 +ATOM 36 CA SER 20 4.018 -7.509 -10.102 +ATOM 37 CB SER 20 5.064 -7.370 -9.644 +TER +CONECT 1 3 2 +CONECT 3 5 4 +CONECT 5 7 6 +CONECT 7 9 8 +CONECT 9 11 10 +CONECT 11 13 12 +CONECT 13 15 14 +CONECT 15 17 16 +CONECT 17 19 18 +CONECT 19 20 +CONECT 20 21 +CONECT 21 23 22 +CONECT 23 25 24 +CONECT 25 27 26 +CONECT 27 28 +CONECT 28 30 29 +CONECT 30 32 31 +CONECT 32 34 33 +CONECT 34 35 +CONECT 36 37 diff --git a/examples/unres/CSA/GAB/CSA/global/unrestrained/CLUSTER/1l2y_csa_GB0000001_002.pdb b/examples/unres/CSA/GAB/CSA/global/unrestrained/CLUSTER/1l2y_csa_GB0000001_002.pdb new file mode 100644 index 0000000..2bf32c6 --- /dev/null +++ b/examples/unres/CSA/GAB/CSA/global/unrestrained/CLUSTER/1l2y_csa_GB0000001_002.pdb @@ -0,0 +1,59 @@ +REMARK 1l2y ENERGY -9.14000E+01 +ATOM 1 CA ASN 1 3.800 0.000 0.000 +ATOM 2 CB ASN 1 5.425 0.404 0.177 +ATOM 3 CA LEU 2 4.056 -3.791 0.000 +ATOM 4 CB LEU 2 3.323 -5.579 0.158 +ATOM 5 CA TYR 3 4.958 -3.824 -3.691 +ATOM 6 CB TYR 3 4.088 -6.119 -4.070 +ATOM 7 CA ILE 4 8.411 -2.426 -2.940 +ATOM 8 CB ILE 4 8.810 -0.696 -2.950 +ATOM 9 CA GLN 5 8.820 -4.931 -0.111 +ATOM 10 CB GLN 5 7.785 -3.503 1.270 +ATOM 11 CA TRP 6 7.475 -7.683 -2.361 +ATOM 12 CB TRP 6 6.221 -9.886 -2.957 +ATOM 13 CA LEU 7 9.740 -6.562 -5.199 +ATOM 14 CB LEU 7 8.352 -5.768 -6.296 +ATOM 15 CA LYS 8 12.690 -6.285 -2.820 +ATOM 16 CB LYS 8 12.780 -3.774 -2.439 +ATOM 17 CA ASP 9 11.921 -9.653 -1.239 +ATOM 18 CB ASP 9 10.570 -9.035 -0.395 +ATOM 19 CA GLY 10 13.263 -11.429 -4.319 +ATOM 20 CA GLY 11 10.805 -10.693 -7.122 +ATOM 21 CA PRO 12 7.869 -12.785 -5.921 +ATOM 22 CB PRO 12 7.113 -12.263 -6.904 +ATOM 23 CA SER 13 10.060 -15.132 -3.889 +ATOM 24 CB SER 13 11.190 -14.918 -3.858 +ATOM 25 CA SER 14 9.096 -13.564 -0.565 +ATOM 26 CB SER 14 8.700 -12.490 -0.672 +ATOM 27 CA GLY 15 6.184 -14.671 1.611 +ATOM 28 CA ARG 16 3.722 -12.163 0.163 +ATOM 29 CB ARG 16 5.489 -9.790 0.767 +ATOM 30 CA PRO 17 1.419 -12.253 -2.858 +ATOM 31 CB PRO 17 1.013 -11.100 -2.297 +ATOM 32 CA PRO 18 2.912 -12.132 -6.350 +ATOM 33 CB PRO 18 2.171 -13.239 -6.536 +ATOM 34 CA PRO 19 2.401 -9.108 -8.594 +ATOM 35 CB PRO 19 3.612 -8.719 -8.157 +ATOM 36 CA SER 20 2.520 -11.192 -11.769 +ATOM 37 CB SER 20 3.511 -11.582 -11.336 +TER +CONECT 1 3 2 +CONECT 3 5 4 +CONECT 5 7 6 +CONECT 7 9 8 +CONECT 9 11 10 +CONECT 11 13 12 +CONECT 13 15 14 +CONECT 15 17 16 +CONECT 17 19 18 +CONECT 19 20 +CONECT 20 21 +CONECT 21 23 22 +CONECT 23 25 24 +CONECT 25 27 26 +CONECT 27 28 +CONECT 28 30 29 +CONECT 30 32 31 +CONECT 32 34 33 +CONECT 34 35 +CONECT 36 37 diff --git a/examples/unres/CSA/GAB/CSA/global/unrestrained/CLUSTER/1l2y_csa_GB0000001_003.pdb b/examples/unres/CSA/GAB/CSA/global/unrestrained/CLUSTER/1l2y_csa_GB0000001_003.pdb new file mode 100644 index 0000000..7248cac --- /dev/null +++ b/examples/unres/CSA/GAB/CSA/global/unrestrained/CLUSTER/1l2y_csa_GB0000001_003.pdb @@ -0,0 +1,59 @@ +REMARK 1l2y ENERGY -9.10400E+01 +ATOM 1 CA ASN 1 3.800 0.000 0.000 +ATOM 2 CB ASN 1 5.420 0.420 0.189 +ATOM 3 CA LEU 2 4.055 -3.791 0.000 +ATOM 4 CB LEU 2 3.273 -5.553 0.210 +ATOM 5 CA TYR 3 4.770 -3.835 -3.732 +ATOM 6 CB TYR 3 3.899 -6.146 -4.000 +ATOM 7 CA ILE 4 8.240 -2.391 -3.173 +ATOM 8 CB ILE 4 8.574 -0.648 -3.117 +ATOM 9 CA GLN 5 8.814 -4.833 -0.318 +ATOM 10 CB GLN 5 7.823 -3.397 1.086 +ATOM 11 CA TRP 6 7.464 -7.649 -2.483 +ATOM 12 CB TRP 6 6.138 -9.845 -2.935 +ATOM 13 CA LEU 7 9.474 -6.377 -5.447 +ATOM 14 CB LEU 7 7.897 -6.340 -6.575 +ATOM 15 CA LYS 8 12.590 -6.119 -3.288 +ATOM 16 CB LYS 8 12.654 -3.608 -2.903 +ATOM 17 CA ASP 9 11.935 -9.513 -1.709 +ATOM 18 CB ASP 9 10.652 -8.972 -0.718 +ATOM 19 CA GLY 10 12.939 -11.251 -4.936 +ATOM 20 CA GLY 11 10.458 -10.202 -7.617 +ATOM 21 CA PRO 12 7.322 -11.942 -6.361 +ATOM 22 CB PRO 12 6.542 -11.193 -7.160 +ATOM 23 CA SER 13 9.298 -14.694 -4.640 +ATOM 24 CB SER 13 10.440 -14.615 -4.752 +ATOM 25 CA SER 14 8.942 -13.078 -1.219 +ATOM 26 CB SER 14 9.196 -12.247 -1.972 +ATOM 27 CA GLY 15 6.469 -14.208 1.436 +ATOM 28 CA ARG 16 3.709 -11.858 0.296 +ATOM 29 CB ARG 16 5.591 -9.551 0.805 +ATOM 30 CA PRO 17 1.251 -12.268 -2.572 +ATOM 31 CB PRO 17 0.767 -11.139 -2.025 +ATOM 32 CA PRO 18 2.471 -12.092 -6.166 +ATOM 33 CB PRO 18 2.022 -13.359 -6.210 +ATOM 34 CA PRO 19 1.091 -9.522 -8.602 +ATOM 35 CB PRO 19 2.009 -8.645 -8.159 +ATOM 36 CA SER 20 2.702 -11.187 -11.614 +ATOM 37 CB SER 20 3.806 -11.424 -11.395 +TER +CONECT 1 3 2 +CONECT 3 5 4 +CONECT 5 7 6 +CONECT 7 9 8 +CONECT 9 11 10 +CONECT 11 13 12 +CONECT 13 15 14 +CONECT 15 17 16 +CONECT 17 19 18 +CONECT 19 20 +CONECT 20 21 +CONECT 21 23 22 +CONECT 23 25 24 +CONECT 25 27 26 +CONECT 27 28 +CONECT 28 30 29 +CONECT 30 32 31 +CONECT 32 34 33 +CONECT 34 35 +CONECT 36 37 diff --git a/examples/unres/CSA/GAB/CSA/global/unrestrained/CLUSTER/1l2y_csa_GB0000001_004.pdb b/examples/unres/CSA/GAB/CSA/global/unrestrained/CLUSTER/1l2y_csa_GB0000001_004.pdb new file mode 100644 index 0000000..ebe3de4 --- /dev/null +++ b/examples/unres/CSA/GAB/CSA/global/unrestrained/CLUSTER/1l2y_csa_GB0000001_004.pdb @@ -0,0 +1,59 @@ +REMARK 1l2y ENERGY -9.09000E+01 +ATOM 1 CA ASN 1 3.800 0.000 0.000 +ATOM 2 CB ASN 1 5.437 0.379 0.112 +ATOM 3 CA LEU 2 4.059 -3.791 0.000 +ATOM 4 CB LEU 2 3.653 -5.672 -0.242 +ATOM 5 CA TYR 3 6.186 -3.748 -3.149 +ATOM 6 CB TYR 3 5.575 -5.856 -4.312 +ATOM 7 CA ILE 4 9.385 -3.411 -1.125 +ATOM 8 CB ILE 4 10.076 -1.877 -0.555 +ATOM 9 CA GLN 5 8.150 -6.075 1.286 +ATOM 10 CB GLN 5 7.195 -4.459 2.508 +ATOM 11 CA TRP 6 7.088 -8.243 -1.649 +ATOM 12 CB TRP 6 5.745 -10.334 -2.428 +ATOM 13 CA LEU 7 10.399 -7.547 -3.380 +ATOM 14 CB LEU 7 9.664 -7.189 -5.138 +ATOM 15 CA LYS 8 12.289 -8.331 -0.178 +ATOM 16 CB LYS 8 12.811 -5.983 0.641 +ATOM 17 CA ASP 9 10.290 -11.512 0.392 +ATOM 18 CB ASP 9 8.779 -10.867 0.862 +ATOM 19 CA GLY 10 12.236 -13.268 -2.360 +ATOM 20 CA GLY 11 11.159 -11.411 -5.495 +ATOM 21 CA PRO 12 7.505 -12.453 -5.580 +ATOM 22 CB PRO 12 7.249 -11.426 -6.409 +ATOM 23 CA SER 13 8.262 -15.866 -4.089 +ATOM 24 CB SER 13 9.372 -16.027 -3.836 +ATOM 25 CA SER 14 7.070 -14.918 -0.607 +ATOM 26 CB SER 14 7.502 -13.986 -1.125 +ATOM 27 CA GLY 15 4.514 -17.521 0.455 +ATOM 28 CA ARG 16 1.552 -15.729 -1.111 +ATOM 29 CB ARG 16 1.465 -12.729 -1.452 +ATOM 30 CA PRO 17 1.016 -14.813 -4.760 +ATOM 31 CB PRO 17 -0.187 -15.335 -4.459 +ATOM 32 CA PRO 18 2.682 -11.618 -5.968 +ATOM 33 CB PRO 18 3.009 -12.353 -7.046 +ATOM 34 CA PRO 19 0.704 -8.455 -6.688 +ATOM 35 CB PRO 19 1.163 -8.012 -5.504 +ATOM 36 CA SER 20 3.134 -7.319 -9.380 +ATOM 37 CB SER 20 4.228 -7.468 -9.058 +TER +CONECT 1 3 2 +CONECT 3 5 4 +CONECT 5 7 6 +CONECT 7 9 8 +CONECT 9 11 10 +CONECT 11 13 12 +CONECT 13 15 14 +CONECT 15 17 16 +CONECT 17 19 18 +CONECT 19 20 +CONECT 20 21 +CONECT 21 23 22 +CONECT 23 25 24 +CONECT 25 27 26 +CONECT 27 28 +CONECT 28 30 29 +CONECT 30 32 31 +CONECT 32 34 33 +CONECT 34 35 +CONECT 36 37 diff --git a/examples/unres/CSA/GAB/CSA/global/unrestrained/CLUSTER/1l2y_csa_GB0000001_005.pdb b/examples/unres/CSA/GAB/CSA/global/unrestrained/CLUSTER/1l2y_csa_GB0000001_005.pdb new file mode 100644 index 0000000..7e12881 --- /dev/null +++ b/examples/unres/CSA/GAB/CSA/global/unrestrained/CLUSTER/1l2y_csa_GB0000001_005.pdb @@ -0,0 +1,59 @@ +REMARK 1l2y ENERGY -9.08500E+01 +ATOM 1 CA ASN 1 3.800 0.000 0.000 +ATOM 2 CB ASN 1 5.414 0.457 0.144 +ATOM 3 CA LEU 2 4.056 -3.791 0.000 +ATOM 4 CB LEU 2 3.505 -5.588 -0.479 +ATOM 5 CA TYR 3 6.088 -3.751 -3.211 +ATOM 6 CB TYR 3 5.990 -1.301 -3.609 +ATOM 7 CA ILE 4 9.312 -3.096 -1.308 +ATOM 8 CB ILE 4 9.980 -1.461 -1.130 +ATOM 9 CA GLN 5 8.389 -5.708 1.293 +ATOM 10 CB GLN 5 7.069 -4.369 2.512 +ATOM 11 CA TRP 6 7.270 -8.065 -1.470 +ATOM 12 CB TRP 6 5.622 -9.881 -2.349 +ATOM 13 CA LEU 7 10.316 -7.168 -3.556 +ATOM 14 CB LEU 7 9.088 -6.464 -4.882 +ATOM 15 CA LYS 8 12.598 -7.966 -0.625 +ATOM 16 CB LYS 8 11.712 -6.054 0.795 +ATOM 17 CA ASP 9 10.745 -11.210 0.073 +ATOM 18 CB ASP 9 9.405 -10.393 0.750 +ATOM 19 CA GLY 10 12.376 -12.825 -2.956 +ATOM 20 CA GLY 11 10.966 -10.838 -5.872 +ATOM 21 CA PRO 12 7.328 -11.897 -5.590 +ATOM 22 CB PRO 12 6.861 -10.796 -6.204 +ATOM 23 CA SER 13 8.235 -15.339 -4.261 +ATOM 24 CB SER 13 9.358 -15.505 -4.075 +ATOM 25 CA SER 14 7.291 -14.523 -0.671 +ATOM 26 CB SER 14 7.075 -13.408 -0.492 +ATOM 27 CA GLY 15 4.047 -15.702 0.919 +ATOM 28 CA ARG 16 2.150 -12.495 0.174 +ATOM 29 CB ARG 16 4.120 -10.393 1.080 +ATOM 30 CA PRO 17 0.440 -11.297 -3.001 +ATOM 31 CB PRO 17 0.016 -10.339 -2.157 +ATOM 32 CA PRO 18 2.575 -10.368 -6.004 +ATOM 33 CB PRO 18 1.677 -11.112 -6.674 +ATOM 34 CA PRO 19 2.913 -6.694 -6.916 +ATOM 35 CB PRO 19 3.704 -6.747 -5.830 +ATOM 36 CA SER 20 2.811 -5.805 -10.609 +ATOM 37 CB SER 20 2.026 -4.995 -10.833 +TER +CONECT 1 3 2 +CONECT 3 5 4 +CONECT 5 7 6 +CONECT 7 9 8 +CONECT 9 11 10 +CONECT 11 13 12 +CONECT 13 15 14 +CONECT 15 17 16 +CONECT 17 19 18 +CONECT 19 20 +CONECT 20 21 +CONECT 21 23 22 +CONECT 23 25 24 +CONECT 25 27 26 +CONECT 27 28 +CONECT 28 30 29 +CONECT 30 32 31 +CONECT 32 34 33 +CONECT 34 35 +CONECT 36 37 diff --git a/examples/unres/CSA/GAB/CSA/global/unrestrained/CLUSTER/1l2y_csa_GB0000001_006.pdb b/examples/unres/CSA/GAB/CSA/global/unrestrained/CLUSTER/1l2y_csa_GB0000001_006.pdb new file mode 100644 index 0000000..ade19cd --- /dev/null +++ b/examples/unres/CSA/GAB/CSA/global/unrestrained/CLUSTER/1l2y_csa_GB0000001_006.pdb @@ -0,0 +1,59 @@ +REMARK 1l2y ENERGY -9.07600E+01 +ATOM 1 CA ASN 1 3.800 0.000 0.000 +ATOM 2 CB ASN 1 5.451 0.326 0.072 +ATOM 3 CA LEU 2 4.062 -3.791 0.000 +ATOM 4 CB LEU 2 3.786 -5.659 -0.439 +ATOM 5 CA TYR 3 6.254 -3.726 -3.103 +ATOM 6 CB TYR 3 6.069 -5.831 -4.410 +ATOM 7 CA ILE 4 9.386 -3.283 -0.998 +ATOM 8 CB ILE 4 10.195 -1.745 -0.632 +ATOM 9 CA GLN 5 8.189 -5.979 1.397 +ATOM 10 CB GLN 5 7.142 -4.371 2.553 +ATOM 11 CA TRP 6 7.222 -8.189 -1.539 +ATOM 12 CB TRP 6 6.843 -10.367 -2.916 +ATOM 13 CA LEU 7 10.508 -7.462 -3.304 +ATOM 14 CB LEU 7 10.459 -5.953 -4.521 +ATOM 15 CA LYS 8 12.459 -8.262 -0.144 +ATOM 16 CB LYS 8 13.147 -5.869 0.362 +ATOM 17 CA ASP 9 10.145 -11.138 0.757 +ATOM 18 CB ASP 9 9.152 -10.214 1.797 +ATOM 19 CA GLY 10 10.861 -12.983 -2.487 +ATOM 20 CA GLY 11 9.673 -12.028 -5.968 +ATOM 21 CA PRO 12 6.346 -11.908 -7.800 +ATOM 22 CB PRO 12 6.619 -12.815 -8.755 +ATOM 23 CA SER 13 4.184 -14.710 -6.417 +ATOM 24 CB SER 13 3.709 -15.422 -7.185 +ATOM 25 CA SER 14 7.242 -16.867 -5.756 +ATOM 26 CB SER 14 8.162 -16.246 -6.056 +ATOM 27 CA GLY 15 7.420 -15.769 -2.122 +ATOM 28 CA ARG 16 4.722 -13.766 -0.348 +ATOM 29 CB ARG 16 5.221 -10.984 0.717 +ATOM 30 CA PRO 17 1.668 -12.124 -1.904 +ATOM 31 CB PRO 17 1.473 -11.312 -0.849 +ATOM 32 CA PRO 18 2.767 -9.292 -4.186 +ATOM 33 CB PRO 18 3.047 -10.296 -5.036 +ATOM 34 CA PRO 19 0.720 -6.437 -5.635 +ATOM 35 CB PRO 19 1.504 -5.598 -4.934 +ATOM 36 CA SER 20 2.598 -6.552 -8.936 +ATOM 37 CB SER 20 3.518 -7.228 -8.799 +TER +CONECT 1 3 2 +CONECT 3 5 4 +CONECT 5 7 6 +CONECT 7 9 8 +CONECT 9 11 10 +CONECT 11 13 12 +CONECT 13 15 14 +CONECT 15 17 16 +CONECT 17 19 18 +CONECT 19 20 +CONECT 20 21 +CONECT 21 23 22 +CONECT 23 25 24 +CONECT 25 27 26 +CONECT 27 28 +CONECT 28 30 29 +CONECT 30 32 31 +CONECT 32 34 33 +CONECT 34 35 +CONECT 36 37 diff --git a/examples/unres/CSA/GAB/CSA/global/unrestrained/CLUSTER/1l2y_csa_GB0000001_007.pdb b/examples/unres/CSA/GAB/CSA/global/unrestrained/CLUSTER/1l2y_csa_GB0000001_007.pdb new file mode 100644 index 0000000..686325f --- /dev/null +++ b/examples/unres/CSA/GAB/CSA/global/unrestrained/CLUSTER/1l2y_csa_GB0000001_007.pdb @@ -0,0 +1,59 @@ +REMARK 1l2y ENERGY -9.03400E+01 +ATOM 1 CA ASN 1 3.800 0.000 0.000 +ATOM 2 CB ASN 1 4.296 0.380 1.564 +ATOM 3 CA LEU 2 5.456 -3.420 0.000 +ATOM 4 CB LEU 2 6.764 -4.801 0.375 +ATOM 5 CA TYR 3 3.351 -4.571 2.947 +ATOM 6 CB TYR 3 2.312 -2.449 3.714 +ATOM 7 CA ILE 4 0.385 -5.337 0.698 +ATOM 8 CB ILE 4 -0.975 -4.227 0.432 +ATOM 9 CA GLN 5 2.670 -6.903 -1.902 +ATOM 10 CB GLN 5 3.097 -4.907 -2.823 +ATOM 11 CA TRP 6 4.565 -8.724 0.842 +ATOM 12 CB TRP 6 6.797 -9.847 1.580 +ATOM 13 CA LEU 7 1.304 -9.592 2.589 +ATOM 14 CB LEU 7 1.946 -8.650 4.158 +ATOM 15 CA LYS 8 -0.145 -10.892 -0.674 +ATOM 16 CB LYS 8 -1.604 -8.922 -1.340 +ATOM 17 CA ASP 9 3.015 -12.854 -1.454 +ATOM 18 CB ASP 9 3.966 -11.492 -1.857 +ATOM 19 CA GLY 10 2.047 -15.472 1.125 +ATOM 20 CA GLY 11 2.197 -13.498 4.369 +ATOM 21 CA PRO 12 5.934 -12.811 4.396 +ATOM 22 CB PRO 12 5.826 -11.683 5.120 +ATOM 23 CA SER 13 6.748 -16.128 2.730 +ATOM 24 CB SER 13 5.831 -16.741 2.406 +ATOM 25 CA SER 14 7.482 -14.582 -0.662 +ATOM 26 CB SER 14 7.237 -13.459 -0.716 +ATOM 27 CA GLY 15 11.031 -14.133 -1.945 +ATOM 28 CA ARG 16 11.309 -10.512 -0.828 +ATOM 29 CB ARG 16 8.698 -9.225 -1.632 +ATOM 30 CA PRO 17 12.014 -9.042 2.605 +ATOM 31 CB PRO 17 12.006 -7.893 1.907 +ATOM 32 CA PRO 18 9.378 -9.378 5.322 +ATOM 33 CB PRO 18 10.417 -9.861 6.026 +ATOM 34 CA PRO 19 7.534 -6.243 6.424 +ATOM 35 CB PRO 19 6.773 -6.521 5.350 +ATOM 36 CA SER 20 6.412 -7.762 9.721 +ATOM 37 CB SER 20 5.458 -8.073 9.158 +TER +CONECT 1 3 2 +CONECT 3 5 4 +CONECT 5 7 6 +CONECT 7 9 8 +CONECT 9 11 10 +CONECT 11 13 12 +CONECT 13 15 14 +CONECT 15 17 16 +CONECT 17 19 18 +CONECT 19 20 +CONECT 20 21 +CONECT 21 23 22 +CONECT 23 25 24 +CONECT 25 27 26 +CONECT 27 28 +CONECT 28 30 29 +CONECT 30 32 31 +CONECT 32 34 33 +CONECT 34 35 +CONECT 36 37 diff --git a/examples/unres/CSA/GAB/CSA/global/unrestrained/CLUSTER/1l2y_csa_GB0000001_008.pdb b/examples/unres/CSA/GAB/CSA/global/unrestrained/CLUSTER/1l2y_csa_GB0000001_008.pdb new file mode 100644 index 0000000..be03aaa --- /dev/null +++ b/examples/unres/CSA/GAB/CSA/global/unrestrained/CLUSTER/1l2y_csa_GB0000001_008.pdb @@ -0,0 +1,59 @@ +REMARK 1l2y ENERGY -8.99900E+01 +ATOM 1 CA ASN 1 3.800 0.000 0.000 +ATOM 2 CB ASN 1 4.358 0.238 1.571 +ATOM 3 CA LEU 2 4.046 -3.792 0.000 +ATOM 4 CB LEU 2 4.145 -5.649 0.550 +ATOM 5 CA TYR 3 1.378 -4.161 -2.681 +ATOM 6 CB TYR 3 -0.623 -2.732 -2.330 +ATOM 7 CA ILE 4 2.019 -7.894 -2.985 +ATOM 8 CB ILE 4 3.590 -8.545 -3.496 +ATOM 9 CA GLN 5 0.077 -8.478 0.229 +ATOM 10 CB GLN 5 0.191 -7.162 2.038 +ATOM 11 CA TRP 6 -2.722 -6.288 -1.116 +ATOM 12 CB TRP 6 -4.476 -4.363 -1.084 +ATOM 13 CA LEU 7 -2.512 -8.031 -4.486 +ATOM 14 CB LEU 7 -1.996 -6.384 -5.370 +ATOM 15 CA LYS 8 -2.793 -11.421 -2.791 +ATOM 16 CB LYS 8 -0.610 -11.138 -1.523 +ATOM 17 CA ASP 9 -5.506 -10.151 -0.452 +ATOM 18 CB ASP 9 -4.410 -9.284 0.533 +ATOM 19 CA GLY 10 -8.011 -10.080 -3.308 +ATOM 20 CA GLY 11 -6.737 -7.706 -5.988 +ATOM 21 CA PRO 12 -7.117 -4.357 -4.233 +ATOM 22 CB PRO 12 -6.294 -3.731 -5.093 +ATOM 23 CA SER 13 -9.948 -5.609 -2.028 +ATOM 24 CB SER 13 -10.271 -6.695 -2.222 +ATOM 25 CA SER 14 -7.673 -6.147 0.967 +ATOM 26 CB SER 14 -7.258 -6.746 0.078 +ATOM 27 CA GLY 15 -7.664 -3.946 4.065 +ATOM 28 CA ARG 16 -5.156 -1.427 2.720 +ATOM 29 CB ARG 16 -2.632 -2.773 1.753 +ATOM 30 CA PRO 17 -5.908 1.177 0.056 +ATOM 31 CB PRO 17 -4.956 1.809 0.766 +ATOM 32 CA PRO 18 -5.919 0.113 -3.592 +ATOM 33 CB PRO 18 -7.104 0.749 -3.619 +ATOM 34 CA PRO 19 -3.206 1.325 -5.960 +ATOM 35 CB PRO 19 -2.684 0.095 -5.806 +ATOM 36 CA SER 20 -5.561 1.405 -8.941 +ATOM 37 CB SER 20 -5.795 0.312 -8.669 +TER +CONECT 1 3 2 +CONECT 3 5 4 +CONECT 5 7 6 +CONECT 7 9 8 +CONECT 9 11 10 +CONECT 11 13 12 +CONECT 13 15 14 +CONECT 15 17 16 +CONECT 17 19 18 +CONECT 19 20 +CONECT 20 21 +CONECT 21 23 22 +CONECT 23 25 24 +CONECT 25 27 26 +CONECT 27 28 +CONECT 28 30 29 +CONECT 30 32 31 +CONECT 32 34 33 +CONECT 34 35 +CONECT 36 37 diff --git a/examples/unres/CSA/GAB/CSA/global/unrestrained/CLUSTER/1l2y_csa_GB0000001_009.pdb b/examples/unres/CSA/GAB/CSA/global/unrestrained/CLUSTER/1l2y_csa_GB0000001_009.pdb new file mode 100644 index 0000000..05c0149 --- /dev/null +++ b/examples/unres/CSA/GAB/CSA/global/unrestrained/CLUSTER/1l2y_csa_GB0000001_009.pdb @@ -0,0 +1,59 @@ +REMARK 1l2y ENERGY -8.96100E+01 +ATOM 1 CA ASN 1 3.800 0.000 0.000 +ATOM 2 CB ASN 1 5.459 0.284 0.055 +ATOM 3 CA LEU 2 4.064 -3.791 0.000 +ATOM 4 CB LEU 2 3.802 -5.705 -0.161 +ATOM 5 CA TYR 3 6.284 -3.733 -3.084 +ATOM 6 CB TYR 3 5.912 -5.775 -4.449 +ATOM 7 CA ILE 4 9.406 -3.497 -0.930 +ATOM 8 CB ILE 4 10.193 -2.001 -0.386 +ATOM 9 CA GLN 5 8.085 -6.290 1.282 +ATOM 10 CB GLN 5 7.203 -4.754 2.653 +ATOM 11 CA TRP 6 7.091 -8.266 -1.808 +ATOM 12 CB TRP 6 5.674 -10.175 -2.871 +ATOM 13 CA LEU 7 10.496 -7.583 -3.352 +ATOM 14 CB LEU 7 10.268 -6.223 -4.715 +ATOM 15 CA LYS 8 12.204 -8.757 -0.167 +ATOM 16 CB LYS 8 12.865 -6.418 0.572 +ATOM 17 CA ASP 9 9.799 -11.675 0.214 +ATOM 18 CB ASP 9 8.302 -11.001 0.688 +ATOM 19 CA GLY 10 11.280 -13.392 -2.836 +ATOM 20 CA GLY 11 10.958 -11.369 -6.037 +ATOM 21 CA PRO 12 7.182 -11.227 -6.433 +ATOM 22 CB PRO 12 7.079 -11.987 -7.538 +ATOM 23 CA SER 13 6.618 -14.294 -4.261 +ATOM 24 CB SER 13 7.594 -14.889 -4.137 +ATOM 25 CA SER 14 5.831 -14.051 -0.552 +ATOM 26 CB SER 14 5.055 -13.251 -0.269 +ATOM 27 CA GLY 15 3.469 -17.027 -0.510 +ATOM 28 CA ARG 16 0.644 -15.107 -2.175 +ATOM 29 CB ARG 16 1.218 -12.143 -2.257 +ATOM 30 CA PRO 17 0.571 -13.589 -5.658 +ATOM 31 CB PRO 17 -0.674 -14.094 -5.585 +ATOM 32 CA PRO 18 2.399 -10.297 -6.170 +ATOM 33 CB PRO 18 2.773 -10.840 -7.342 +ATOM 34 CA PRO 19 0.575 -6.979 -6.492 +ATOM 35 CB PRO 19 1.287 -6.620 -5.408 +ATOM 36 CA SER 20 2.952 -5.699 -9.166 +ATOM 37 CB SER 20 4.036 -5.998 -8.925 +TER +CONECT 1 3 2 +CONECT 3 5 4 +CONECT 5 7 6 +CONECT 7 9 8 +CONECT 9 11 10 +CONECT 11 13 12 +CONECT 13 15 14 +CONECT 15 17 16 +CONECT 17 19 18 +CONECT 19 20 +CONECT 20 21 +CONECT 21 23 22 +CONECT 23 25 24 +CONECT 25 27 26 +CONECT 27 28 +CONECT 28 30 29 +CONECT 30 32 31 +CONECT 32 34 33 +CONECT 34 35 +CONECT 36 37 diff --git a/examples/unres/CSA/GAB/CSA/global/unrestrained/CLUSTER/1l2y_csa_GB0000001_010.pdb b/examples/unres/CSA/GAB/CSA/global/unrestrained/CLUSTER/1l2y_csa_GB0000001_010.pdb new file mode 100644 index 0000000..539d3b1 --- /dev/null +++ b/examples/unres/CSA/GAB/CSA/global/unrestrained/CLUSTER/1l2y_csa_GB0000001_010.pdb @@ -0,0 +1,59 @@ +REMARK 1l2y ENERGY -8.95300E+01 +ATOM 1 CA ASN 1 3.800 0.000 0.000 +ATOM 2 CB ASN 1 5.463 0.257 0.055 +ATOM 3 CA LEU 2 4.065 -3.791 0.000 +ATOM 4 CB LEU 2 3.870 -5.718 -0.077 +ATOM 5 CA TYR 3 6.276 -3.732 -3.090 +ATOM 6 CB TYR 3 5.354 -5.608 -4.432 +ATOM 7 CA ILE 4 9.369 -3.540 -0.890 +ATOM 8 CB ILE 4 10.197 -2.062 -0.359 +ATOM 9 CA GLN 5 8.015 -6.416 1.193 +ATOM 10 CB GLN 5 7.271 -4.947 2.712 +ATOM 11 CA TRP 6 7.012 -8.228 -1.993 +ATOM 12 CB TRP 6 5.637 -10.030 -3.277 +ATOM 13 CA LEU 7 10.464 -7.572 -3.440 +ATOM 14 CB LEU 7 10.038 -6.114 -4.645 +ATOM 15 CA LYS 8 12.075 -8.873 -0.254 +ATOM 16 CB LYS 8 12.733 -6.566 0.584 +ATOM 17 CA ASP 9 9.668 -11.806 -0.047 +ATOM 18 CB ASP 9 8.122 -11.175 0.319 +ATOM 19 CA GLY 10 11.399 -13.530 -2.958 +ATOM 20 CA GLY 11 10.847 -11.423 -6.071 +ATOM 21 CA PRO 12 7.213 -10.735 -6.945 +ATOM 22 CB PRO 12 7.446 -9.439 -7.221 +ATOM 23 CA SER 13 6.271 -14.415 -6.840 +ATOM 24 CB SER 13 7.162 -15.141 -6.859 +ATOM 25 CA SER 14 5.827 -14.378 -3.066 +ATOM 26 CB SER 14 6.885 -13.942 -2.952 +ATOM 27 CA GLY 15 2.071 -14.924 -3.252 +ATOM 28 CA ARG 16 1.169 -11.461 -4.531 +ATOM 29 CB ARG 16 1.573 -8.540 -3.877 +ATOM 30 CA PRO 17 1.175 -9.974 -8.028 +ATOM 31 CB PRO 17 0.045 -9.426 -7.546 +ATOM 32 CA PRO 18 4.309 -8.333 -9.417 +ATOM 33 CB PRO 18 4.069 -9.144 -10.462 +ATOM 34 CA PRO 19 4.459 -4.562 -9.854 +ATOM 35 CB PRO 19 5.408 -4.572 -8.901 +ATOM 36 CA SER 20 6.288 -4.800 -13.176 +ATOM 37 CB SER 20 6.972 -5.722 -13.253 +TER +CONECT 1 3 2 +CONECT 3 5 4 +CONECT 5 7 6 +CONECT 7 9 8 +CONECT 9 11 10 +CONECT 11 13 12 +CONECT 13 15 14 +CONECT 15 17 16 +CONECT 17 19 18 +CONECT 19 20 +CONECT 20 21 +CONECT 21 23 22 +CONECT 23 25 24 +CONECT 25 27 26 +CONECT 27 28 +CONECT 28 30 29 +CONECT 30 32 31 +CONECT 32 34 33 +CONECT 34 35 +CONECT 36 37 diff --git a/examples/unres/CSA/GAB/CSA/global/unrestrained/CLUSTER/1l2y_csa_GB0000001_011.pdb b/examples/unres/CSA/GAB/CSA/global/unrestrained/CLUSTER/1l2y_csa_GB0000001_011.pdb new file mode 100644 index 0000000..a6cd306 --- /dev/null +++ b/examples/unres/CSA/GAB/CSA/global/unrestrained/CLUSTER/1l2y_csa_GB0000001_011.pdb @@ -0,0 +1,59 @@ +REMARK 1l2y ENERGY -8.94500E+01 +ATOM 1 CA ASN 1 3.800 0.000 0.000 +ATOM 2 CB ASN 1 4.317 0.400 1.552 +ATOM 3 CA LEU 2 5.610 -3.341 0.000 +ATOM 4 CB LEU 2 6.668 -4.658 -0.952 +ATOM 5 CA TYR 3 6.144 -4.767 3.481 +ATOM 6 CB TYR 3 6.148 -2.699 4.857 +ATOM 7 CA ILE 4 8.726 -7.289 2.291 +ATOM 8 CB ILE 4 8.312 -8.772 1.406 +ATOM 9 CA GLN 5 11.087 -4.455 1.378 +ATOM 10 CB GLN 5 10.355 -2.648 0.275 +ATOM 11 CA TRP 6 10.380 -2.815 4.732 +ATOM 12 CB TRP 6 9.811 -0.803 6.286 +ATOM 13 CA LEU 7 10.801 -6.153 6.497 +ATOM 14 CB LEU 7 8.943 -6.119 7.051 +ATOM 15 CA LYS 8 14.140 -6.693 4.765 +ATOM 16 CB LYS 8 13.083 -6.771 2.456 +ATOM 17 CA ASP 9 15.146 -3.070 5.316 +ATOM 18 CB ASP 9 14.123 -2.479 4.081 +ATOM 19 CA GLY 10 15.636 -3.713 9.029 +ATOM 20 CA GLY 11 12.304 -4.793 10.502 +ATOM 21 CA PRO 12 10.342 -1.547 10.263 +ATOM 22 CB PRO 12 9.170 -2.180 10.448 +ATOM 23 CA SER 13 13.474 0.598 10.442 +ATOM 24 CB SER 13 14.458 0.016 10.564 +ATOM 25 CA SER 14 13.550 1.201 6.690 +ATOM 26 CB SER 14 13.522 0.068 6.887 +ATOM 27 CA GLY 15 12.684 4.506 5.027 +ATOM 28 CA ARG 16 8.980 3.754 4.631 +ATOM 29 CB ARG 16 8.451 1.052 3.391 +ATOM 30 CA PRO 17 6.424 3.777 7.442 +ATOM 31 CB PRO 17 5.600 3.884 6.384 +ATOM 32 CA PRO 18 6.287 0.847 9.858 +ATOM 33 CB PRO 18 6.387 1.820 10.781 +ATOM 34 CA PRO 19 3.281 -1.478 9.862 +ATOM 35 CB PRO 19 4.061 -2.358 9.209 +ATOM 36 CA SER 20 3.532 -2.132 13.597 +ATOM 37 CB SER 20 4.615 -2.456 13.385 +TER +CONECT 1 3 2 +CONECT 3 5 4 +CONECT 5 7 6 +CONECT 7 9 8 +CONECT 9 11 10 +CONECT 11 13 12 +CONECT 13 15 14 +CONECT 15 17 16 +CONECT 17 19 18 +CONECT 19 20 +CONECT 20 21 +CONECT 21 23 22 +CONECT 23 25 24 +CONECT 25 27 26 +CONECT 27 28 +CONECT 28 30 29 +CONECT 30 32 31 +CONECT 32 34 33 +CONECT 34 35 +CONECT 36 37 diff --git a/examples/unres/CSA/GAB/CSA/global/unrestrained/CLUSTER/1l2y_csa_GB0000001_012.pdb b/examples/unres/CSA/GAB/CSA/global/unrestrained/CLUSTER/1l2y_csa_GB0000001_012.pdb new file mode 100644 index 0000000..6d2cd79 --- /dev/null +++ b/examples/unres/CSA/GAB/CSA/global/unrestrained/CLUSTER/1l2y_csa_GB0000001_012.pdb @@ -0,0 +1,59 @@ +REMARK 1l2y ENERGY -8.93200E+01 +ATOM 1 CA ASN 1 3.800 0.000 0.000 +ATOM 2 CB ASN 1 4.362 0.208 1.574 +ATOM 3 CA LEU 2 4.046 -3.792 0.000 +ATOM 4 CB LEU 2 3.780 -5.466 0.941 +ATOM 5 CA TYR 3 4.568 -5.273 -3.460 +ATOM 6 CB TYR 3 3.243 -4.100 -5.204 +ATOM 7 CA ILE 4 4.749 -8.824 -2.119 +ATOM 8 CB ILE 4 6.058 -9.385 -1.059 +ATOM 9 CA GLN 5 0.988 -8.801 -1.575 +ATOM 10 CB GLN 5 -0.018 -7.000 -0.703 +ATOM 11 CA TRP 6 0.530 -7.461 -5.101 +ATOM 12 CB TRP 6 -0.328 -5.863 -6.970 +ATOM 13 CA LEU 7 3.033 -9.998 -6.420 +ATOM 14 CB LEU 7 4.258 -8.597 -6.967 +ATOM 15 CA LYS 8 1.130 -12.813 -4.719 +ATOM 16 CB LYS 8 1.569 -11.889 -2.393 +ATOM 17 CA ASP 9 -2.210 -11.347 -5.785 +ATOM 18 CB ASP 9 -2.166 -10.108 -4.609 +ATOM 19 CA GLY 10 -1.585 -12.403 -9.381 +ATOM 20 CA GLY 11 1.582 -10.706 -10.618 +ATOM 21 CA PRO 12 0.436 -7.089 -10.823 +ATOM 22 CB PRO 12 1.695 -6.616 -10.865 +ATOM 23 CA SER 13 -3.197 -8.062 -11.364 +ATOM 24 CB SER 13 -3.394 -9.194 -11.420 +ATOM 25 CA SER 14 -4.136 -7.437 -7.735 +ATOM 26 CB SER 14 -3.274 -8.198 -7.763 +ATOM 27 CA GLY 15 -6.216 -4.483 -6.556 +ATOM 28 CA ARG 16 -3.279 -2.110 -6.131 +ATOM 29 CB ARG 16 -1.138 -3.302 -4.365 +ATOM 30 CA PRO 17 -1.369 -0.474 -8.980 +ATOM 31 CB PRO 17 -1.236 0.457 -8.019 +ATOM 32 CA PRO 18 1.282 -2.496 -10.803 +ATOM 33 CB PRO 18 0.645 -2.060 -11.905 +ATOM 34 CA PRO 19 4.961 -1.620 -10.434 +ATOM 35 CB PRO 19 5.004 -2.670 -9.594 +ATOM 36 CA SER 20 5.784 -2.701 -13.982 +ATOM 37 CB SER 20 5.281 -3.695 -13.696 +TER +CONECT 1 3 2 +CONECT 3 5 4 +CONECT 5 7 6 +CONECT 7 9 8 +CONECT 9 11 10 +CONECT 11 13 12 +CONECT 13 15 14 +CONECT 15 17 16 +CONECT 17 19 18 +CONECT 19 20 +CONECT 20 21 +CONECT 21 23 22 +CONECT 23 25 24 +CONECT 25 27 26 +CONECT 27 28 +CONECT 28 30 29 +CONECT 30 32 31 +CONECT 32 34 33 +CONECT 34 35 +CONECT 36 37 diff --git a/examples/unres/CSA/GAB/CSA/global/unrestrained/CLUSTER/1l2y_csa_GB0000001_013.pdb b/examples/unres/CSA/GAB/CSA/global/unrestrained/CLUSTER/1l2y_csa_GB0000001_013.pdb new file mode 100644 index 0000000..d3fd62d --- /dev/null +++ b/examples/unres/CSA/GAB/CSA/global/unrestrained/CLUSTER/1l2y_csa_GB0000001_013.pdb @@ -0,0 +1,59 @@ +REMARK 1l2y ENERGY -8.92900E+01 +ATOM 1 CA ASN 1 3.800 0.000 0.000 +ATOM 2 CB ASN 1 5.423 0.406 0.195 +ATOM 3 CA LEU 2 4.056 -3.791 0.000 +ATOM 4 CB LEU 2 3.550 -5.663 0.033 +ATOM 5 CA TYR 3 5.266 -3.812 -3.602 +ATOM 6 CB TYR 3 4.185 -5.762 -4.696 +ATOM 7 CA ILE 4 8.794 -2.947 -2.485 +ATOM 8 CB ILE 4 9.391 -1.294 -2.226 +ATOM 9 CA GLN 5 8.540 -5.499 0.319 +ATOM 10 CB GLN 5 7.692 -3.899 1.637 +ATOM 11 CA TRP 6 7.298 -8.081 -2.177 +ATOM 12 CB TRP 6 6.040 -9.531 -3.938 +ATOM 13 CA LEU 7 9.928 -6.943 -4.672 +ATOM 14 CB LEU 7 8.723 -6.591 -6.150 +ATOM 15 CA LYS 8 12.614 -7.226 -1.999 +ATOM 16 CB LYS 8 12.980 -4.758 -1.520 +ATOM 17 CA ASP 9 11.198 -10.538 -0.788 +ATOM 18 CB ASP 9 9.813 -9.963 0.034 +ATOM 19 CA GLY 10 12.465 -12.282 -3.916 +ATOM 20 CA GLY 11 11.331 -10.808 -7.230 +ATOM 21 CA PRO 12 7.619 -11.474 -7.696 +ATOM 22 CB PRO 12 7.582 -12.393 -8.677 +ATOM 23 CA SER 13 6.588 -14.431 -5.544 +ATOM 24 CB SER 13 6.100 -14.100 -4.556 +ATOM 25 CA SER 14 3.977 -17.054 -6.408 +ATOM 26 CB SER 14 4.343 -18.140 -6.504 +ATOM 27 CA GLY 15 2.629 -17.255 -2.861 +ATOM 28 CA ARG 16 3.097 -13.561 -2.105 +ATOM 29 CB ARG 16 4.592 -11.334 -0.718 +ATOM 30 CA PRO 17 0.920 -11.484 -4.427 +ATOM 31 CB PRO 17 1.472 -10.491 -3.706 +ATOM 32 CA PRO 18 1.527 -11.755 -8.168 +ATOM 33 CB PRO 18 0.222 -12.084 -8.184 +ATOM 34 CA PRO 19 3.015 -8.870 -10.143 +ATOM 35 CB PRO 19 4.059 -8.887 -9.295 +ATOM 36 CA SER 20 0.779 -9.477 -13.155 +ATOM 37 CB SER 20 0.367 -10.548 -13.227 +TER +CONECT 1 3 2 +CONECT 3 5 4 +CONECT 5 7 6 +CONECT 7 9 8 +CONECT 9 11 10 +CONECT 11 13 12 +CONECT 13 15 14 +CONECT 15 17 16 +CONECT 17 19 18 +CONECT 19 20 +CONECT 20 21 +CONECT 21 23 22 +CONECT 23 25 24 +CONECT 25 27 26 +CONECT 27 28 +CONECT 28 30 29 +CONECT 30 32 31 +CONECT 32 34 33 +CONECT 34 35 +CONECT 36 37 diff --git a/examples/unres/CSA/GAB/CSA/global/unrestrained/CLUSTER/1l2y_csa_GB0000001_014.pdb b/examples/unres/CSA/GAB/CSA/global/unrestrained/CLUSTER/1l2y_csa_GB0000001_014.pdb new file mode 100644 index 0000000..6b45e1e --- /dev/null +++ b/examples/unres/CSA/GAB/CSA/global/unrestrained/CLUSTER/1l2y_csa_GB0000001_014.pdb @@ -0,0 +1,59 @@ +REMARK 1l2y ENERGY -8.92600E+01 +ATOM 1 CA ASN 1 3.800 0.000 0.000 +ATOM 2 CB ASN 1 5.450 0.332 0.066 +ATOM 3 CA LEU 2 4.062 -3.791 0.000 +ATOM 4 CB LEU 2 3.761 -5.647 -0.474 +ATOM 5 CA TYR 3 6.266 -3.725 -3.095 +ATOM 6 CB TYR 3 6.254 -5.880 -4.332 +ATOM 7 CA ILE 4 9.392 -3.265 -0.985 +ATOM 8 CB ILE 4 10.203 -1.718 -0.660 +ATOM 9 CA GLN 5 8.225 -5.949 1.438 +ATOM 10 CB GLN 5 7.054 -4.444 2.614 +ATOM 11 CA TRP 6 7.173 -8.169 -1.461 +ATOM 12 CB TRP 6 6.722 -10.395 -2.737 +ATOM 13 CA LEU 7 10.409 -7.480 -3.330 +ATOM 14 CB LEU 7 10.686 -5.876 -4.383 +ATOM 15 CA LYS 8 12.445 -8.344 -0.240 +ATOM 16 CB LYS 8 13.161 -5.948 0.213 +ATOM 17 CA ASP 9 10.073 -11.151 0.725 +ATOM 18 CB ASP 9 9.030 -10.087 1.563 +ATOM 19 CA GLY 10 10.706 -13.050 -2.506 +ATOM 20 CA GLY 11 9.310 -12.186 -5.933 +ATOM 21 CA PRO 12 5.881 -12.173 -7.570 +ATOM 22 CB PRO 12 6.131 -13.069 -8.541 +ATOM 23 CA SER 13 3.783 -14.969 -6.080 +ATOM 24 CB SER 13 2.991 -14.219 -5.715 +ATOM 25 CA SER 14 6.904 -17.058 -5.499 +ATOM 26 CB SER 14 7.793 -16.429 -5.869 +ATOM 27 CA GLY 15 7.241 -15.757 -1.945 +ATOM 28 CA ARG 16 4.610 -13.362 -0.611 +ATOM 29 CB ARG 16 4.994 -10.729 0.818 +ATOM 30 CA PRO 17 1.888 -11.477 -2.476 +ATOM 31 CB PRO 17 1.437 -11.212 -1.238 +ATOM 32 CA PRO 18 2.718 -8.496 -4.682 +ATOM 33 CB PRO 18 2.812 -9.443 -5.632 +ATOM 34 CA PRO 19 0.292 -5.599 -5.087 +ATOM 35 CB PRO 19 1.358 -4.927 -4.618 +ATOM 36 CA SER 20 -1.493 -5.197 -8.418 +ATOM 37 CB SER 20 -2.634 -5.136 -8.283 +TER +CONECT 1 3 2 +CONECT 3 5 4 +CONECT 5 7 6 +CONECT 7 9 8 +CONECT 9 11 10 +CONECT 11 13 12 +CONECT 13 15 14 +CONECT 15 17 16 +CONECT 17 19 18 +CONECT 19 20 +CONECT 20 21 +CONECT 21 23 22 +CONECT 23 25 24 +CONECT 25 27 26 +CONECT 27 28 +CONECT 28 30 29 +CONECT 30 32 31 +CONECT 32 34 33 +CONECT 34 35 +CONECT 36 37 diff --git a/examples/unres/CSA/GAB/CSA/global/unrestrained/CLUSTER/1l2y_csa_GB0000001_015.pdb b/examples/unres/CSA/GAB/CSA/global/unrestrained/CLUSTER/1l2y_csa_GB0000001_015.pdb new file mode 100644 index 0000000..182ec37 --- /dev/null +++ b/examples/unres/CSA/GAB/CSA/global/unrestrained/CLUSTER/1l2y_csa_GB0000001_015.pdb @@ -0,0 +1,59 @@ +REMARK 1l2y ENERGY -8.92500E+01 +ATOM 1 CA ASN 1 3.800 0.000 0.000 +ATOM 2 CB ASN 1 5.418 0.429 0.180 +ATOM 3 CA LEU 2 4.056 -3.791 0.000 +ATOM 4 CB LEU 2 3.877 -5.699 -0.298 +ATOM 5 CA TYR 3 6.002 -3.756 -3.264 +ATOM 6 CB TYR 3 5.954 -1.288 -3.542 +ATOM 7 CA ILE 4 9.272 -3.444 -1.354 +ATOM 8 CB ILE 4 9.950 -1.872 -0.880 +ATOM 9 CA GLN 5 8.161 -6.283 0.915 +ATOM 10 CB GLN 5 7.394 -4.771 2.378 +ATOM 11 CA TRP 6 7.076 -8.244 -2.153 +ATOM 12 CB TRP 6 5.740 -10.167 -3.294 +ATOM 13 CA LEU 7 10.469 -7.573 -3.727 +ATOM 14 CB LEU 7 11.649 -6.103 -4.181 +ATOM 15 CA LYS 8 12.220 -8.719 -0.555 +ATOM 16 CB LYS 8 12.075 -6.515 0.701 +ATOM 17 CA ASP 9 10.863 -12.247 -0.951 +ATOM 18 CB ASP 9 9.176 -12.154 -1.209 +ATOM 19 CA GLY 10 14.221 -13.477 -2.234 +ATOM 20 CA GLY 11 15.716 -10.264 -3.604 +ATOM 21 CA PRO 12 13.503 -9.861 -6.667 +ATOM 22 CB PRO 12 14.066 -8.665 -6.914 +ATOM 23 CA SER 13 12.575 -13.545 -6.755 +ATOM 24 CB SER 13 13.022 -14.267 -5.979 +ATOM 25 CA SER 14 9.131 -12.999 -5.244 +ATOM 26 CB SER 14 9.000 -11.872 -5.057 +ATOM 27 CA GLY 15 5.985 -13.627 -7.281 +ATOM 28 CA ARG 16 5.369 -9.972 -8.118 +ATOM 29 CB ARG 16 6.589 -7.853 -6.345 +ATOM 30 CA PRO 17 7.605 -7.704 -10.190 +ATOM 31 CB PRO 17 6.393 -7.361 -10.662 +ATOM 32 CA PRO 18 10.372 -5.868 -8.343 +ATOM 33 CB PRO 18 11.164 -6.333 -9.327 +ATOM 34 CA PRO 19 10.260 -2.102 -7.850 +ATOM 35 CB PRO 19 9.750 -2.395 -6.640 +ATOM 36 CA SER 20 14.044 -1.810 -8.043 +ATOM 37 CB SER 20 14.499 -2.844 -7.829 +TER +CONECT 1 3 2 +CONECT 3 5 4 +CONECT 5 7 6 +CONECT 7 9 8 +CONECT 9 11 10 +CONECT 11 13 12 +CONECT 13 15 14 +CONECT 15 17 16 +CONECT 17 19 18 +CONECT 19 20 +CONECT 20 21 +CONECT 21 23 22 +CONECT 23 25 24 +CONECT 25 27 26 +CONECT 27 28 +CONECT 28 30 29 +CONECT 30 32 31 +CONECT 32 34 33 +CONECT 34 35 +CONECT 36 37 diff --git a/examples/unres/CSA/GAB/CSA/global/unrestrained/CLUSTER/1l2y_csa_GB0000001_016.pdb b/examples/unres/CSA/GAB/CSA/global/unrestrained/CLUSTER/1l2y_csa_GB0000001_016.pdb new file mode 100644 index 0000000..a3d0e0f --- /dev/null +++ b/examples/unres/CSA/GAB/CSA/global/unrestrained/CLUSTER/1l2y_csa_GB0000001_016.pdb @@ -0,0 +1,59 @@ +REMARK 1l2y ENERGY -8.90800E+01 +ATOM 1 CA ASN 1 3.800 0.000 0.000 +ATOM 2 CB ASN 1 5.368 0.454 0.412 +ATOM 3 CA LEU 2 4.052 -3.792 0.000 +ATOM 4 CB LEU 2 3.711 -5.579 0.669 +ATOM 5 CA TYR 3 3.649 -4.014 -3.772 +ATOM 6 CB TYR 3 4.652 -1.753 -3.545 +ATOM 7 CA ILE 4 5.827 -5.293 -6.611 +ATOM 8 CB ILE 4 5.110 -6.543 -7.649 +ATOM 9 CA GLN 5 7.115 -1.793 -7.343 +ATOM 10 CB GLN 5 6.138 0.200 -7.043 +ATOM 11 CA TRP 6 8.497 -1.545 -3.812 +ATOM 12 CB TRP 6 9.508 -0.153 -1.856 +ATOM 13 CA LEU 7 9.900 -5.067 -4.073 +ATOM 14 CB LEU 7 9.335 -6.870 -4.508 +ATOM 15 CA LYS 8 11.658 -4.191 -7.325 +ATOM 16 CB LYS 8 9.687 -4.465 -8.905 +ATOM 17 CA ASP 9 13.921 -1.693 -5.570 +ATOM 18 CB ASP 9 12.948 -0.633 -4.648 +ATOM 19 CA GLY 10 16.823 -4.145 -5.650 +ATOM 20 CA GLY 11 14.998 -7.473 -5.837 +ATOM 21 CA PRO 12 13.617 -7.577 -2.299 +ATOM 22 CB PRO 12 12.928 -8.692 -2.601 +ATOM 23 CA SER 13 16.207 -5.129 -0.980 +ATOM 24 CB SER 13 17.018 -4.719 -1.685 +ATOM 25 CA SER 14 13.806 -2.184 -0.947 +ATOM 26 CB SER 14 12.782 -2.548 -1.326 +ATOM 27 CA GLY 15 12.667 -0.627 2.327 +ATOM 28 CA ARG 16 9.346 -2.470 2.448 +ATOM 29 CB ARG 16 8.086 -3.443 -0.118 +ATOM 30 CA PRO 17 8.632 -6.192 2.734 +ATOM 31 CB PRO 17 7.572 -5.707 3.405 +ATOM 32 CA PRO 18 8.559 -8.203 -0.489 +ATOM 33 CB PRO 18 9.429 -9.001 0.155 +ATOM 34 CA PRO 19 5.362 -9.713 -1.882 +ATOM 35 CB PRO 19 5.261 -8.535 -2.524 +ATOM 36 CA SER 20 7.238 -12.625 -3.443 +ATOM 37 CB SER 20 8.355 -12.357 -3.503 +TER +CONECT 1 3 2 +CONECT 3 5 4 +CONECT 5 7 6 +CONECT 7 9 8 +CONECT 9 11 10 +CONECT 11 13 12 +CONECT 13 15 14 +CONECT 15 17 16 +CONECT 17 19 18 +CONECT 19 20 +CONECT 20 21 +CONECT 21 23 22 +CONECT 23 25 24 +CONECT 25 27 26 +CONECT 27 28 +CONECT 28 30 29 +CONECT 30 32 31 +CONECT 32 34 33 +CONECT 34 35 +CONECT 36 37 diff --git a/examples/unres/CSA/GAB/CSA/global/unrestrained/CLUSTER/1l2y_csa_GB0000001_017.pdb b/examples/unres/CSA/GAB/CSA/global/unrestrained/CLUSTER/1l2y_csa_GB0000001_017.pdb new file mode 100644 index 0000000..fb58a01 --- /dev/null +++ b/examples/unres/CSA/GAB/CSA/global/unrestrained/CLUSTER/1l2y_csa_GB0000001_017.pdb @@ -0,0 +1,59 @@ +REMARK 1l2y ENERGY -8.88700E+01 +ATOM 1 CA ASN 1 3.800 0.000 0.000 +ATOM 2 CB ASN 1 5.377 0.443 0.392 +ATOM 3 CA LEU 2 4.052 -3.792 0.000 +ATOM 4 CB LEU 2 3.617 -5.409 0.976 +ATOM 5 CA TYR 3 1.907 -4.167 -3.114 +ATOM 6 CB TYR 3 2.850 -3.910 -5.398 +ATOM 7 CA ILE 4 1.617 -7.800 -4.189 +ATOM 8 CB ILE 4 1.581 -8.581 -2.594 +ATOM 9 CA GLN 5 -1.244 -6.893 -6.520 +ATOM 10 CB GLN 5 -1.943 -5.406 -4.998 +ATOM 11 CA TRP 6 1.256 -5.352 -8.932 +ATOM 12 CB TRP 6 2.147 -5.078 -11.365 +ATOM 13 CA LEU 7 3.303 -8.552 -8.827 +ATOM 14 CB LEU 7 4.958 -7.809 -8.141 +ATOM 15 CA LYS 8 0.250 -10.561 -9.868 +ATOM 16 CB LYS 8 -0.066 -11.571 -7.557 +ATOM 17 CA ASP 9 -0.911 -7.841 -12.253 +ATOM 18 CB ASP 9 -1.668 -6.738 -11.191 +ATOM 19 CA GLY 10 2.120 -8.324 -14.494 +ATOM 20 CA GLY 11 5.558 -7.470 -13.119 +ATOM 21 CA PRO 12 6.197 -3.992 -11.728 +ATOM 22 CB PRO 12 7.180 -4.624 -11.061 +ATOM 23 CA SER 13 4.917 -1.214 -13.983 +ATOM 24 CB SER 13 4.303 -1.532 -14.902 +ATOM 25 CA SER 14 2.032 -0.377 -11.656 +ATOM 26 CB SER 14 2.123 -1.110 -10.774 +ATOM 27 CA GLY 15 1.453 2.645 -9.425 +ATOM 28 CA ARG 16 2.463 0.895 -6.207 +ATOM 29 CB ARG 16 0.663 -1.371 -7.072 +ATOM 30 CA PRO 17 5.958 -0.180 -5.172 +ATOM 31 CB PRO 17 5.479 -0.833 -4.099 +ATOM 32 CA PRO 18 7.106 -3.564 -6.463 +ATOM 33 CB PRO 18 8.005 -2.797 -7.105 +ATOM 34 CA PRO 19 7.776 -6.378 -3.999 +ATOM 35 CB PRO 19 6.526 -6.221 -3.530 +ATOM 36 CA SER 20 10.732 -7.672 -6.006 +ATOM 37 CB SER 20 10.599 -7.395 -7.114 +TER +CONECT 1 3 2 +CONECT 3 5 4 +CONECT 5 7 6 +CONECT 7 9 8 +CONECT 9 11 10 +CONECT 11 13 12 +CONECT 13 15 14 +CONECT 15 17 16 +CONECT 17 19 18 +CONECT 19 20 +CONECT 20 21 +CONECT 21 23 22 +CONECT 23 25 24 +CONECT 25 27 26 +CONECT 27 28 +CONECT 28 30 29 +CONECT 30 32 31 +CONECT 32 34 33 +CONECT 34 35 +CONECT 36 37 diff --git a/examples/unres/CSA/GAB/CSA/global/unrestrained/CLUSTER/1l2y_csa_GB0000001_018.pdb b/examples/unres/CSA/GAB/CSA/global/unrestrained/CLUSTER/1l2y_csa_GB0000001_018.pdb new file mode 100644 index 0000000..efaf143 --- /dev/null +++ b/examples/unres/CSA/GAB/CSA/global/unrestrained/CLUSTER/1l2y_csa_GB0000001_018.pdb @@ -0,0 +1,59 @@ +REMARK 1l2y ENERGY -8.85600E+01 +ATOM 1 CA ASN 1 3.800 0.000 0.000 +ATOM 2 CB ASN 1 4.299 0.377 1.564 +ATOM 3 CA LEU 2 5.456 -3.420 0.000 +ATOM 4 CB LEU 2 6.747 -4.801 0.429 +ATOM 5 CA TYR 3 3.342 -4.574 2.940 +ATOM 6 CB TYR 3 2.259 -2.451 3.638 +ATOM 7 CA ILE 4 0.382 -5.321 0.677 +ATOM 8 CB ILE 4 -0.981 -4.209 0.433 +ATOM 9 CA GLN 5 2.667 -6.933 -1.897 +ATOM 10 CB GLN 5 3.118 -4.945 -2.824 +ATOM 11 CA TRP 6 4.527 -8.745 0.878 +ATOM 12 CB TRP 6 6.750 -9.810 1.721 +ATOM 13 CA LEU 7 1.247 -9.583 2.603 +ATOM 14 CB LEU 7 1.846 -8.523 4.112 +ATOM 15 CA LYS 8 -0.171 -10.928 -0.656 +ATOM 16 CB LYS 8 -1.593 -8.938 -1.345 +ATOM 17 CA ASP 9 2.994 -12.904 -1.373 +ATOM 18 CB ASP 9 3.909 -11.525 -1.799 +ATOM 19 CA GLY 10 2.024 -15.465 1.262 +ATOM 20 CA GLY 11 2.120 -13.441 4.476 +ATOM 21 CA PRO 12 5.847 -12.707 4.568 +ATOM 22 CB PRO 12 5.703 -11.584 5.295 +ATOM 23 CA SER 13 6.732 -16.024 2.939 +ATOM 24 CB SER 13 5.826 -16.650 2.608 +ATOM 25 CA SER 14 7.481 -14.496 -0.459 +ATOM 26 CB SER 14 7.192 -13.386 -0.538 +ATOM 27 CA GLY 15 11.009 -13.923 -1.749 +ATOM 28 CA ARG 16 11.169 -10.298 -0.620 +ATOM 29 CB ARG 16 8.540 -9.134 -1.542 +ATOM 30 CA PRO 17 11.870 -8.843 2.819 +ATOM 31 CB PRO 17 11.907 -7.709 2.097 +ATOM 32 CA PRO 18 9.278 -9.269 5.564 +ATOM 33 CB PRO 18 10.342 -9.646 6.295 +ATOM 34 CA PRO 19 7.287 -6.237 6.697 +ATOM 35 CB PRO 19 6.657 -6.515 5.541 +ATOM 36 CA SER 20 6.680 -5.843 10.427 +ATOM 37 CB SER 20 7.009 -4.808 10.807 +TER +CONECT 1 3 2 +CONECT 3 5 4 +CONECT 5 7 6 +CONECT 7 9 8 +CONECT 9 11 10 +CONECT 11 13 12 +CONECT 13 15 14 +CONECT 15 17 16 +CONECT 17 19 18 +CONECT 19 20 +CONECT 20 21 +CONECT 21 23 22 +CONECT 23 25 24 +CONECT 25 27 26 +CONECT 27 28 +CONECT 28 30 29 +CONECT 30 32 31 +CONECT 32 34 33 +CONECT 34 35 +CONECT 36 37 diff --git a/examples/unres/CSA/GAB/CSA/global/unrestrained/CLUSTER/1l2y_csa_GB0000001_019.pdb b/examples/unres/CSA/GAB/CSA/global/unrestrained/CLUSTER/1l2y_csa_GB0000001_019.pdb new file mode 100644 index 0000000..26252f2 --- /dev/null +++ b/examples/unres/CSA/GAB/CSA/global/unrestrained/CLUSTER/1l2y_csa_GB0000001_019.pdb @@ -0,0 +1,59 @@ +REMARK 1l2y ENERGY -8.84200E+01 +ATOM 1 CA ASN 1 3.800 0.000 0.000 +ATOM 2 CB ASN 1 5.440 0.370 0.098 +ATOM 3 CA LEU 2 4.060 -3.791 0.000 +ATOM 4 CB LEU 2 3.893 -5.684 -0.387 +ATOM 5 CA TYR 3 6.213 -3.728 -3.131 +ATOM 6 CB TYR 3 5.922 -1.314 -3.639 +ATOM 7 CA ILE 4 9.363 -3.259 -1.057 +ATOM 8 CB ILE 4 10.168 -1.705 -0.757 +ATOM 9 CA GLN 5 8.203 -5.966 1.344 +ATOM 10 CB GLN 5 7.141 -4.481 2.642 +ATOM 11 CA TRP 6 7.204 -8.173 -1.583 +ATOM 12 CB TRP 6 7.188 -10.778 -1.566 +ATOM 13 CA LEU 7 10.434 -7.405 -3.432 +ATOM 14 CB LEU 7 9.464 -6.242 -4.643 +ATOM 15 CA LYS 8 12.506 -8.262 -0.364 +ATOM 16 CB LYS 8 13.156 -5.868 0.185 +ATOM 17 CA ASP 9 10.300 -11.198 0.612 +ATOM 18 CB ASP 9 9.331 -10.321 1.713 +ATOM 19 CA GLY 10 10.580 -14.575 -1.108 +ATOM 20 CA GLY 11 8.625 -16.474 -3.756 +ATOM 21 CA PRO 12 5.205 -18.030 -4.325 +ATOM 22 CB PRO 12 5.643 -19.284 -4.537 +ATOM 23 CA SER 13 4.040 -19.099 -0.870 +ATOM 24 CB SER 13 3.648 -20.176 -0.774 +ATOM 25 CA SER 14 7.621 -19.797 0.192 +ATOM 26 CB SER 14 8.336 -19.476 -0.650 +ATOM 27 CA GLY 15 7.865 -16.475 2.022 +ATOM 28 CA ARG 16 5.277 -13.815 1.206 +ATOM 29 CB ARG 16 5.305 -10.852 1.791 +ATOM 30 CA PRO 17 3.504 -13.258 -2.108 +ATOM 31 CB PRO 17 2.913 -12.210 -1.506 +ATOM 32 CA PRO 18 5.486 -11.878 -5.042 +ATOM 33 CB PRO 18 5.623 -13.195 -5.274 +ATOM 34 CA PRO 19 4.161 -8.625 -6.494 +ATOM 35 CB PRO 19 4.702 -7.945 -5.468 +ATOM 36 CA SER 20 6.471 -8.764 -9.508 +ATOM 37 CB SER 20 7.315 -8.344 -8.849 +TER +CONECT 1 3 2 +CONECT 3 5 4 +CONECT 5 7 6 +CONECT 7 9 8 +CONECT 9 11 10 +CONECT 11 13 12 +CONECT 13 15 14 +CONECT 15 17 16 +CONECT 17 19 18 +CONECT 19 20 +CONECT 20 21 +CONECT 21 23 22 +CONECT 23 25 24 +CONECT 25 27 26 +CONECT 27 28 +CONECT 28 30 29 +CONECT 30 32 31 +CONECT 32 34 33 +CONECT 34 35 +CONECT 36 37 diff --git a/examples/unres/CSA/GAB/CSA/global/unrestrained/CLUSTER/1l2y_csa_GB0000001_020.pdb b/examples/unres/CSA/GAB/CSA/global/unrestrained/CLUSTER/1l2y_csa_GB0000001_020.pdb new file mode 100644 index 0000000..7b78248 --- /dev/null +++ b/examples/unres/CSA/GAB/CSA/global/unrestrained/CLUSTER/1l2y_csa_GB0000001_020.pdb @@ -0,0 +1,59 @@ +REMARK 1l2y ENERGY -8.83600E+01 +ATOM 1 CA ASN 1 3.800 0.000 0.000 +ATOM 2 CB ASN 1 5.431 0.391 0.145 +ATOM 3 CA LEU 2 4.058 -3.791 0.000 +ATOM 4 CB LEU 2 3.999 -5.700 -0.338 +ATOM 5 CA TYR 3 6.084 -3.738 -3.214 +ATOM 6 CB TYR 3 5.724 -1.311 -3.601 +ATOM 7 CA ILE 4 9.292 -3.283 -1.229 +ATOM 8 CB ILE 4 10.066 -1.726 -0.868 +ATOM 9 CA GLN 5 8.288 -6.189 1.003 +ATOM 10 CB GLN 5 7.355 -4.799 2.491 +ATOM 11 CA TRP 6 7.250 -8.184 -2.061 +ATOM 12 CB TRP 6 7.473 -10.658 -2.842 +ATOM 13 CA LEU 7 10.482 -7.276 -3.840 +ATOM 14 CB LEU 7 9.471 -6.039 -4.938 +ATOM 15 CA LYS 8 12.498 -8.275 -0.778 +ATOM 16 CB LYS 8 13.044 -5.916 -0.007 +ATOM 17 CA ASP 9 10.405 -11.408 -0.285 +ATOM 18 CB ASP 9 9.190 -10.867 0.788 +ATOM 19 CA GLY 10 11.257 -12.736 -3.742 +ATOM 20 CA GLY 11 10.815 -16.146 -5.359 +ATOM 21 CA PRO 12 14.020 -17.674 -4.004 +ATOM 22 CB PRO 12 14.756 -17.027 -4.925 +ATOM 23 CA SER 13 14.232 -15.263 -1.075 +ATOM 24 CB SER 13 14.026 -14.146 -1.256 +ATOM 25 CA SER 14 10.828 -16.313 0.248 +ATOM 26 CB SER 14 10.244 -15.414 0.665 +ATOM 27 CA GLY 15 8.086 -17.252 -2.210 +ATOM 28 CA ARG 16 5.858 -14.274 -1.432 +ATOM 29 CB ARG 16 5.289 -11.828 0.245 +ATOM 30 CA PRO 17 3.524 -12.968 -4.131 +ATOM 31 CB PRO 17 3.431 -11.767 -3.534 +ATOM 32 CA PRO 18 5.251 -11.124 -6.970 +ATOM 33 CB PRO 18 4.793 -12.184 -7.660 +ATOM 34 CA PRO 19 4.528 -7.406 -7.276 +ATOM 35 CB PRO 19 4.800 -7.264 -5.966 +ATOM 36 CA SER 20 4.653 -7.454 -11.073 +ATOM 37 CB SER 20 5.322 -8.274 -11.523 +TER +CONECT 1 3 2 +CONECT 3 5 4 +CONECT 5 7 6 +CONECT 7 9 8 +CONECT 9 11 10 +CONECT 11 13 12 +CONECT 13 15 14 +CONECT 15 17 16 +CONECT 17 19 18 +CONECT 19 20 +CONECT 20 21 +CONECT 21 23 22 +CONECT 23 25 24 +CONECT 25 27 26 +CONECT 27 28 +CONECT 28 30 29 +CONECT 30 32 31 +CONECT 32 34 33 +CONECT 34 35 +CONECT 36 37 diff --git a/examples/unres/CSA/GAB/CSA/global/unrestrained/CLUSTER/1l2y_csa_GB0000001_021.pdb b/examples/unres/CSA/GAB/CSA/global/unrestrained/CLUSTER/1l2y_csa_GB0000001_021.pdb new file mode 100644 index 0000000..5fc44ae --- /dev/null +++ b/examples/unres/CSA/GAB/CSA/global/unrestrained/CLUSTER/1l2y_csa_GB0000001_021.pdb @@ -0,0 +1,59 @@ +REMARK 1l2y ENERGY -8.82700E+01 +ATOM 1 CA ASN 1 3.800 0.000 0.000 +ATOM 2 CB ASN 1 4.359 0.236 1.571 +ATOM 3 CA LEU 2 4.046 -3.792 0.000 +ATOM 4 CB LEU 2 4.194 -5.639 0.571 +ATOM 5 CA TYR 3 1.396 -4.161 -2.699 +ATOM 6 CB TYR 3 -0.601 -2.685 -2.637 +ATOM 7 CA ILE 4 2.010 -7.900 -2.979 +ATOM 8 CB ILE 4 3.599 -8.566 -3.407 +ATOM 9 CA GLN 5 -0.038 -8.463 0.172 +ATOM 10 CB GLN 5 0.239 -7.207 2.005 +ATOM 11 CA TRP 6 -2.789 -6.281 -1.279 +ATOM 12 CB TRP 6 -4.447 -4.281 -1.476 +ATOM 13 CA LEU 7 -2.482 -8.054 -4.626 +ATOM 14 CB LEU 7 -1.987 -6.389 -5.486 +ATOM 15 CA LYS 8 -2.833 -11.426 -2.910 +ATOM 16 CB LYS 8 -0.709 -11.122 -1.548 +ATOM 17 CA ASP 9 -5.580 -10.113 -0.636 +ATOM 18 CB ASP 9 -4.499 -9.255 0.370 +ATOM 19 CA GLY 10 -8.038 -10.067 -3.534 +ATOM 20 CA GLY 11 -6.707 -7.788 -6.268 +ATOM 21 CA PRO 12 -7.091 -4.367 -4.659 +ATOM 22 CB PRO 12 -6.249 -3.780 -5.528 +ATOM 23 CA SER 13 -9.941 -5.516 -2.424 +ATOM 24 CB SER 13 -10.262 -6.610 -2.573 +ATOM 25 CA SER 14 -7.673 -5.946 0.594 +ATOM 26 CB SER 14 -7.257 -6.609 -0.248 +ATOM 27 CA GLY 15 -7.508 -3.565 3.551 +ATOM 28 CA ARG 16 -4.953 -1.218 2.001 +ATOM 29 CB ARG 16 -2.468 -2.770 1.272 +ATOM 30 CA PRO 17 -5.671 1.363 -0.694 +ATOM 31 CB PRO 17 -4.636 1.940 -0.058 +ATOM 32 CA PRO 18 -5.951 0.276 -4.325 +ATOM 33 CB PRO 18 -7.067 1.027 -4.323 +ATOM 34 CA PRO 19 -3.268 1.315 -6.807 +ATOM 35 CB PRO 19 -2.781 0.115 -6.445 +ATOM 36 CA SER 20 -4.361 2.657 -10.190 +ATOM 37 CB SER 20 -3.891 3.683 -10.413 +TER +CONECT 1 3 2 +CONECT 3 5 4 +CONECT 5 7 6 +CONECT 7 9 8 +CONECT 9 11 10 +CONECT 11 13 12 +CONECT 13 15 14 +CONECT 15 17 16 +CONECT 17 19 18 +CONECT 19 20 +CONECT 20 21 +CONECT 21 23 22 +CONECT 23 25 24 +CONECT 25 27 26 +CONECT 27 28 +CONECT 28 30 29 +CONECT 30 32 31 +CONECT 32 34 33 +CONECT 34 35 +CONECT 36 37 diff --git a/examples/unres/CSA/GAB/CSA/global/unrestrained/CLUSTER/1l2y_csa_GB0000001_022.pdb b/examples/unres/CSA/GAB/CSA/global/unrestrained/CLUSTER/1l2y_csa_GB0000001_022.pdb new file mode 100644 index 0000000..88768bf --- /dev/null +++ b/examples/unres/CSA/GAB/CSA/global/unrestrained/CLUSTER/1l2y_csa_GB0000001_022.pdb @@ -0,0 +1,59 @@ +REMARK 1l2y ENERGY -8.81500E+01 +ATOM 1 CA ASN 1 3.800 0.000 0.000 +ATOM 2 CB ASN 1 4.346 0.238 1.575 +ATOM 3 CA LEU 2 4.045 -3.792 0.000 +ATOM 4 CB LEU 2 4.198 -5.647 0.543 +ATOM 5 CA TYR 3 1.165 -4.177 -2.448 +ATOM 6 CB TYR 3 -0.882 -2.899 -1.859 +ATOM 7 CA ILE 4 1.771 -7.917 -2.744 +ATOM 8 CB ILE 4 3.229 -8.691 -3.398 +ATOM 9 CA GLN 5 0.073 -8.432 0.616 +ATOM 10 CB GLN 5 0.251 -6.841 2.183 +ATOM 11 CA TRP 6 -2.660 -5.992 -0.392 +ATOM 12 CB TRP 6 -4.647 -4.469 0.329 +ATOM 13 CA LEU 7 -3.073 -7.770 -3.724 +ATOM 14 CB LEU 7 -2.127 -6.477 -4.816 +ATOM 15 CA LYS 8 -3.249 -11.129 -1.956 +ATOM 16 CB LYS 8 -0.895 -11.845 -2.589 +ATOM 17 CA ASP 9 -5.605 -9.782 0.704 +ATOM 18 CB ASP 9 -4.775 -8.676 1.709 +ATOM 19 CA GLY 10 -8.439 -9.506 -1.811 +ATOM 20 CA GLY 11 -7.690 -6.659 -4.214 +ATOM 21 CA PRO 12 -6.726 -3.265 -2.805 +ATOM 22 CB PRO 12 -5.661 -3.134 -3.616 +ATOM 23 CA SER 13 -9.896 -2.973 -0.728 +ATOM 24 CB SER 13 -10.769 -3.637 -1.072 +ATOM 25 CA SER 14 -8.605 -5.315 1.972 +ATOM 26 CB SER 14 -8.379 -6.159 1.223 +ATOM 27 CA GLY 15 -8.282 -2.586 4.596 +ATOM 28 CA ARG 16 -5.181 -0.925 3.159 +ATOM 29 CB ARG 16 -2.498 -2.038 2.332 +ATOM 30 CA PRO 17 -4.830 1.748 0.481 +ATOM 31 CB PRO 17 -3.705 2.000 1.173 +ATOM 32 CA PRO 18 -4.733 0.822 -3.203 +ATOM 33 CB PRO 18 -5.799 1.642 -3.238 +ATOM 34 CA PRO 19 -1.509 1.295 -5.158 +ATOM 35 CB PRO 19 -1.394 -0.044 -5.219 +ATOM 36 CA SER 20 -3.318 2.485 -8.281 +ATOM 37 CB SER 20 -4.355 2.008 -8.422 +TER +CONECT 1 3 2 +CONECT 3 5 4 +CONECT 5 7 6 +CONECT 7 9 8 +CONECT 9 11 10 +CONECT 11 13 12 +CONECT 13 15 14 +CONECT 15 17 16 +CONECT 17 19 18 +CONECT 19 20 +CONECT 20 21 +CONECT 21 23 22 +CONECT 23 25 24 +CONECT 25 27 26 +CONECT 27 28 +CONECT 28 30 29 +CONECT 30 32 31 +CONECT 32 34 33 +CONECT 34 35 +CONECT 36 37 diff --git a/examples/unres/CSA/GAB/CSA/global/unrestrained/CLUSTER/1l2y_csa_GB0000001_023.pdb b/examples/unres/CSA/GAB/CSA/global/unrestrained/CLUSTER/1l2y_csa_GB0000001_023.pdb new file mode 100644 index 0000000..8f2f0c2 --- /dev/null +++ b/examples/unres/CSA/GAB/CSA/global/unrestrained/CLUSTER/1l2y_csa_GB0000001_023.pdb @@ -0,0 +1,59 @@ +REMARK 1l2y ENERGY -8.81000E+01 +ATOM 1 CA ASN 1 3.800 0.000 0.000 +ATOM 2 CB ASN 1 4.360 0.300 1.559 +ATOM 3 CA LEU 2 5.641 -3.324 0.000 +ATOM 4 CB LEU 2 6.659 -4.669 -0.957 +ATOM 5 CA TYR 3 6.410 -4.566 3.508 +ATOM 6 CB TYR 3 6.798 -2.525 4.868 +ATOM 7 CA ILE 4 8.710 -7.317 2.249 +ATOM 8 CB ILE 4 8.228 -8.817 1.428 +ATOM 9 CA GLN 5 11.278 -4.700 1.250 +ATOM 10 CB GLN 5 10.403 -2.813 0.420 +ATOM 11 CA TRP 6 10.626 -2.812 4.482 +ATOM 12 CB TRP 6 10.844 -0.604 5.849 +ATOM 13 CA LEU 7 10.975 -6.027 6.478 +ATOM 14 CB LEU 7 9.083 -6.336 6.766 +ATOM 15 CA LYS 8 14.231 -6.824 4.689 +ATOM 16 CB LYS 8 13.210 -8.607 3.194 +ATOM 17 CA ASP 9 15.474 -3.250 5.039 +ATOM 18 CB ASP 9 14.552 -2.228 4.027 +ATOM 19 CA GLY 10 15.867 -3.652 8.797 +ATOM 20 CA GLY 11 12.439 -3.784 10.432 +ATOM 21 CA PRO 12 9.841 -1.122 9.657 +ATOM 22 CB PRO 12 8.882 -2.022 9.380 +ATOM 23 CA SER 13 12.058 1.716 10.872 +ATOM 24 CB SER 13 12.885 1.412 11.610 +ATOM 25 CA SER 14 14.213 1.657 7.742 +ATOM 26 CB SER 14 14.428 0.538 7.902 +ATOM 27 CA GLY 15 12.984 5.026 6.486 +ATOM 28 CA ARG 16 9.549 3.872 5.342 +ATOM 29 CB ARG 16 8.664 1.550 3.625 +ATOM 30 CA PRO 17 6.273 3.512 7.234 +ATOM 31 CB PRO 17 5.748 3.561 5.997 +ATOM 32 CA PRO 18 5.524 0.386 9.261 +ATOM 33 CB PRO 18 5.492 1.292 10.254 +ATOM 34 CA PRO 19 2.752 -1.943 8.108 +ATOM 35 CB PRO 19 3.664 -2.896 7.847 +ATOM 36 CA SER 20 1.545 -2.622 11.647 +ATOM 37 CB SER 20 2.386 -2.621 12.431 +TER +CONECT 1 3 2 +CONECT 3 5 4 +CONECT 5 7 6 +CONECT 7 9 8 +CONECT 9 11 10 +CONECT 11 13 12 +CONECT 13 15 14 +CONECT 15 17 16 +CONECT 17 19 18 +CONECT 19 20 +CONECT 20 21 +CONECT 21 23 22 +CONECT 23 25 24 +CONECT 25 27 26 +CONECT 27 28 +CONECT 28 30 29 +CONECT 30 32 31 +CONECT 32 34 33 +CONECT 34 35 +CONECT 36 37 diff --git a/examples/unres/CSA/GAB/CSA/global/unrestrained/CLUSTER/1l2y_csa_GB0000001_024.pdb b/examples/unres/CSA/GAB/CSA/global/unrestrained/CLUSTER/1l2y_csa_GB0000001_024.pdb new file mode 100644 index 0000000..2fa0fb8 --- /dev/null +++ b/examples/unres/CSA/GAB/CSA/global/unrestrained/CLUSTER/1l2y_csa_GB0000001_024.pdb @@ -0,0 +1,59 @@ +REMARK 1l2y ENERGY -8.80500E+01 +ATOM 1 CA ASN 1 3.800 0.000 0.000 +ATOM 2 CB ASN 1 5.434 0.385 0.130 +ATOM 3 CA LEU 2 4.059 -3.791 0.000 +ATOM 4 CB LEU 2 3.965 -5.695 -0.356 +ATOM 5 CA TYR 3 6.127 -3.734 -3.188 +ATOM 6 CB TYR 3 5.779 -1.311 -3.608 +ATOM 7 CA ILE 4 9.316 -3.260 -1.176 +ATOM 8 CB ILE 4 10.103 -1.702 -0.848 +ATOM 9 CA GLN 5 8.259 -6.085 1.135 +ATOM 10 CB GLN 5 7.267 -4.673 2.563 +ATOM 11 CA TRP 6 7.239 -8.174 -1.871 +ATOM 12 CB TRP 6 7.443 -10.745 -2.238 +ATOM 13 CA LEU 7 10.499 -7.360 -3.647 +ATOM 14 CB LEU 7 9.508 -6.148 -4.791 +ATOM 15 CA LYS 8 12.480 -8.227 -0.522 +ATOM 16 CB LYS 8 13.050 -5.846 0.157 +ATOM 17 CA ASP 9 10.379 -11.332 0.098 +ATOM 18 CB ASP 9 9.218 -10.797 1.232 +ATOM 19 CA GLY 10 11.118 -12.776 -3.339 +ATOM 20 CA GLY 11 9.975 -15.891 -5.191 +ATOM 21 CA PRO 12 11.436 -19.039 -3.645 +ATOM 22 CB PRO 12 12.257 -19.247 -4.690 +ATOM 23 CA SER 13 13.585 -16.968 -1.293 +ATOM 24 CB SER 13 13.735 -15.896 -1.682 +ATOM 25 CA SER 14 10.502 -16.030 0.720 +ATOM 26 CB SER 14 10.078 -15.033 0.332 +ATOM 27 CA GLY 15 7.494 -17.691 -0.903 +ATOM 28 CA ARG 16 5.287 -14.604 -0.707 +ATOM 29 CB ARG 16 5.143 -11.876 0.581 +ATOM 30 CA PRO 17 3.754 -13.144 -3.863 +ATOM 31 CB PRO 17 3.552 -11.908 -3.373 +ATOM 32 CA PRO 18 6.225 -11.424 -6.181 +ATOM 33 CB PRO 18 6.605 -12.688 -6.442 +ATOM 34 CA PRO 19 4.707 -8.066 -7.106 +ATOM 35 CB PRO 19 4.934 -7.612 -5.861 +ATOM 36 CA SER 20 7.411 -7.300 -9.664 +ATOM 37 CB SER 20 8.477 -7.430 -9.251 +TER +CONECT 1 3 2 +CONECT 3 5 4 +CONECT 5 7 6 +CONECT 7 9 8 +CONECT 9 11 10 +CONECT 11 13 12 +CONECT 13 15 14 +CONECT 15 17 16 +CONECT 17 19 18 +CONECT 19 20 +CONECT 20 21 +CONECT 21 23 22 +CONECT 23 25 24 +CONECT 25 27 26 +CONECT 27 28 +CONECT 28 30 29 +CONECT 30 32 31 +CONECT 32 34 33 +CONECT 34 35 +CONECT 36 37 diff --git a/examples/unres/CSA/GAB/CSA/global/unrestrained/CLUSTER/1l2y_csa_GB0000001_025.pdb b/examples/unres/CSA/GAB/CSA/global/unrestrained/CLUSTER/1l2y_csa_GB0000001_025.pdb new file mode 100644 index 0000000..58342b7 --- /dev/null +++ b/examples/unres/CSA/GAB/CSA/global/unrestrained/CLUSTER/1l2y_csa_GB0000001_025.pdb @@ -0,0 +1,59 @@ +REMARK 1l2y ENERGY -8.80300E+01 +ATOM 1 CA ASN 1 3.800 0.000 0.000 +ATOM 2 CB ASN 1 5.428 0.406 0.145 +ATOM 3 CA LEU 2 4.058 -3.791 0.000 +ATOM 4 CB LEU 2 3.886 -5.671 -0.443 +ATOM 5 CA TYR 3 6.057 -3.743 -3.231 +ATOM 6 CB TYR 3 5.715 -1.311 -3.606 +ATOM 7 CA ILE 4 9.284 -3.149 -1.314 +ATOM 8 CB ILE 4 10.043 -1.563 -1.063 +ATOM 9 CA GLN 5 8.385 -5.926 1.119 +ATOM 10 CB GLN 5 7.262 -4.478 2.407 +ATOM 11 CA TRP 6 7.235 -8.098 -1.780 +ATOM 12 CB TRP 6 7.232 -10.380 -3.036 +ATOM 13 CA LEU 7 10.348 -7.227 -3.779 +ATOM 14 CB LEU 7 9.369 -6.022 -4.941 +ATOM 15 CA LYS 8 12.542 -8.244 -0.849 +ATOM 16 CB LYS 8 13.063 -5.862 -0.134 +ATOM 17 CA ASP 9 10.387 -11.305 -0.196 +ATOM 18 CB ASP 9 9.280 -10.503 0.830 +ATOM 19 CA GLY 10 10.877 -12.625 -3.726 +ATOM 20 CA GLY 11 9.802 -15.673 -5.725 +ATOM 21 CA PRO 12 11.612 -18.719 -4.353 +ATOM 22 CB PRO 12 12.362 -18.851 -5.461 +ATOM 23 CA SER 13 13.803 -16.556 -2.126 +ATOM 24 CB SER 13 13.831 -15.454 -2.452 +ATOM 25 CA SER 14 10.944 -16.082 0.332 +ATOM 26 CB SER 14 10.513 -15.016 0.288 +ATOM 27 CA GLY 15 7.856 -17.594 -1.285 +ATOM 28 CA ARG 16 5.857 -14.362 -1.313 +ATOM 29 CB ARG 16 5.532 -11.707 0.088 +ATOM 30 CA PRO 17 3.492 -13.177 -4.041 +ATOM 31 CB PRO 17 3.297 -11.994 -3.431 +ATOM 32 CA PRO 18 5.181 -11.355 -6.916 +ATOM 33 CB PRO 18 4.824 -12.486 -7.550 +ATOM 34 CA PRO 19 4.450 -7.645 -7.288 +ATOM 35 CB PRO 19 4.755 -7.431 -5.995 +ATOM 36 CA SER 20 4.373 -7.811 -11.083 +ATOM 37 CB SER 20 5.014 -8.648 -11.542 +TER +CONECT 1 3 2 +CONECT 3 5 4 +CONECT 5 7 6 +CONECT 7 9 8 +CONECT 9 11 10 +CONECT 11 13 12 +CONECT 13 15 14 +CONECT 15 17 16 +CONECT 17 19 18 +CONECT 19 20 +CONECT 20 21 +CONECT 21 23 22 +CONECT 23 25 24 +CONECT 25 27 26 +CONECT 27 28 +CONECT 28 30 29 +CONECT 30 32 31 +CONECT 32 34 33 +CONECT 34 35 +CONECT 36 37 diff --git a/examples/unres/CSA/GAB/CSA/global/unrestrained/CLUSTER/1l2y_csa_GB0000001_026.pdb b/examples/unres/CSA/GAB/CSA/global/unrestrained/CLUSTER/1l2y_csa_GB0000001_026.pdb new file mode 100644 index 0000000..5d54af6 --- /dev/null +++ b/examples/unres/CSA/GAB/CSA/global/unrestrained/CLUSTER/1l2y_csa_GB0000001_026.pdb @@ -0,0 +1,59 @@ +REMARK 1l2y ENERGY -8.79200E+01 +ATOM 1 CA ASN 1 3.800 0.000 0.000 +ATOM 2 CB ASN 1 5.432 0.407 0.079 +ATOM 3 CA LEU 2 4.061 -3.791 0.000 +ATOM 4 CB LEU 2 3.428 -5.624 -0.012 +ATOM 5 CA TYR 3 6.468 -4.770 -2.772 +ATOM 6 CB TYR 3 7.935 -3.136 -1.610 +ATOM 7 CA ILE 4 6.645 -8.543 -3.194 +ATOM 8 CB ILE 4 5.135 -9.460 -3.370 +ATOM 9 CA GLN 5 9.702 -8.153 -5.417 +ATOM 10 CB GLN 5 8.991 -6.646 -6.914 +ATOM 11 CA TRP 6 11.374 -6.123 -2.674 +ATOM 12 CB TRP 6 12.181 -4.038 -1.338 +ATOM 13 CA LEU 7 10.140 -8.570 -0.042 +ATOM 14 CB LEU 7 8.868 -7.314 0.709 +ATOM 15 CA LYS 8 11.867 -11.419 -1.871 +ATOM 16 CB LYS 8 10.402 -11.021 -3.909 +ATOM 17 CA ASP 9 14.909 -9.255 -2.578 +ATOM 18 CB ASP 9 14.185 -8.358 -3.840 +ATOM 19 CA GLY 10 16.007 -9.523 1.050 +ATOM 20 CA GLY 11 13.191 -8.335 3.308 +ATOM 21 CA PRO 12 13.245 -4.588 2.680 +ATOM 22 CB PRO 12 11.993 -4.382 3.128 +ATOM 23 CA SER 13 16.934 -4.597 1.772 +ATOM 24 CB SER 13 17.443 -5.627 1.823 +ATOM 25 CA SER 14 16.239 -4.462 -1.962 +ATOM 26 CB SER 14 15.747 -5.435 -1.595 +ATOM 27 CA GLY 15 16.802 -1.271 -3.946 +ATOM 28 CA ARG 16 13.381 0.231 -3.249 +ATOM 29 CB ARG 16 11.244 -1.726 -4.100 +ATOM 30 CA PRO 17 12.199 1.845 -0.018 +ATOM 31 CB PRO 17 11.383 2.448 -0.900 +ATOM 32 CA PRO 18 11.188 -0.392 2.883 +ATOM 33 CB PRO 18 12.060 0.366 3.572 +ATOM 34 CA PRO 19 7.633 -0.656 4.198 +ATOM 35 CB PRO 19 7.365 -1.583 3.261 +ATOM 36 CA SER 20 8.712 -2.358 7.420 +ATOM 37 CB SER 20 9.508 -3.166 7.231 +TER +CONECT 1 3 2 +CONECT 3 5 4 +CONECT 5 7 6 +CONECT 7 9 8 +CONECT 9 11 10 +CONECT 11 13 12 +CONECT 13 15 14 +CONECT 15 17 16 +CONECT 17 19 18 +CONECT 19 20 +CONECT 20 21 +CONECT 21 23 22 +CONECT 23 25 24 +CONECT 25 27 26 +CONECT 27 28 +CONECT 28 30 29 +CONECT 30 32 31 +CONECT 32 34 33 +CONECT 34 35 +CONECT 36 37 diff --git a/examples/unres/CSA/GAB/CSA/global/unrestrained/CLUSTER/1l2y_csa_GB0000001_027.pdb b/examples/unres/CSA/GAB/CSA/global/unrestrained/CLUSTER/1l2y_csa_GB0000001_027.pdb new file mode 100644 index 0000000..6889986 --- /dev/null +++ b/examples/unres/CSA/GAB/CSA/global/unrestrained/CLUSTER/1l2y_csa_GB0000001_027.pdb @@ -0,0 +1,59 @@ +REMARK 1l2y ENERGY -8.79000E+01 +ATOM 1 CA ASN 1 3.800 0.000 0.000 +ATOM 2 CB ASN 1 5.422 0.409 0.191 +ATOM 3 CA LEU 2 4.055 -3.791 0.000 +ATOM 4 CB LEU 2 3.541 -5.660 0.076 +ATOM 5 CA TYR 3 5.124 -3.821 -3.646 +ATOM 6 CB TYR 3 4.025 -5.806 -4.658 +ATOM 7 CA ILE 4 8.684 -2.923 -2.667 +ATOM 8 CB ILE 4 9.257 -1.262 -2.405 +ATOM 9 CA GLN 5 8.558 -5.484 0.137 +ATOM 10 CB GLN 5 7.754 -3.891 1.491 +ATOM 11 CA TRP 6 7.239 -8.067 -2.319 +ATOM 12 CB TRP 6 5.929 -9.586 -3.981 +ATOM 13 CA LEU 7 9.761 -6.897 -4.910 +ATOM 14 CB LEU 7 8.486 -6.718 -6.360 +ATOM 15 CA LYS 8 12.547 -7.145 -2.338 +ATOM 16 CB LYS 8 12.905 -4.677 -1.853 +ATOM 17 CA ASP 9 11.225 -10.480 -1.086 +ATOM 18 CB ASP 9 9.846 -9.942 -0.232 +ATOM 19 CA GLY 10 12.416 -12.195 -4.261 +ATOM 20 CA GLY 11 11.122 -10.717 -7.514 +ATOM 21 CA PRO 12 7.414 -11.508 -7.766 +ATOM 22 CB PRO 12 7.375 -12.444 -8.731 +ATOM 23 CA SER 13 6.622 -14.456 -5.502 +ATOM 24 CB SER 13 6.168 -14.127 -4.498 +ATOM 25 CA SER 14 4.078 -17.194 -6.189 +ATOM 26 CB SER 14 4.478 -18.270 -6.260 +ATOM 27 CA GLY 15 2.863 -17.314 -2.590 +ATOM 28 CA ARG 16 3.204 -13.577 -1.990 +ATOM 29 CB ARG 16 4.672 -11.289 -0.675 +ATOM 30 CA PRO 17 0.845 -11.596 -4.216 +ATOM 31 CB PRO 17 1.382 -10.579 -3.519 +ATOM 32 CA PRO 18 1.328 -11.790 -7.980 +ATOM 33 CB PRO 18 0.031 -12.145 -7.974 +ATOM 34 CA PRO 19 2.493 -8.791 -10.003 +ATOM 35 CB PRO 19 3.589 -8.949 -9.241 +ATOM 36 CA SER 20 0.892 -8.350 -13.422 +ATOM 37 CB SER 20 0.445 -7.299 -13.556 +TER +CONECT 1 3 2 +CONECT 3 5 4 +CONECT 5 7 6 +CONECT 7 9 8 +CONECT 9 11 10 +CONECT 11 13 12 +CONECT 13 15 14 +CONECT 15 17 16 +CONECT 17 19 18 +CONECT 19 20 +CONECT 20 21 +CONECT 21 23 22 +CONECT 23 25 24 +CONECT 25 27 26 +CONECT 27 28 +CONECT 28 30 29 +CONECT 30 32 31 +CONECT 32 34 33 +CONECT 34 35 +CONECT 36 37 diff --git a/examples/unres/CSA/GAB/CSA/global/unrestrained/CLUSTER/1l2y_csa_GB0000001_028.pdb b/examples/unres/CSA/GAB/CSA/global/unrestrained/CLUSTER/1l2y_csa_GB0000001_028.pdb new file mode 100644 index 0000000..9c9b6b6 --- /dev/null +++ b/examples/unres/CSA/GAB/CSA/global/unrestrained/CLUSTER/1l2y_csa_GB0000001_028.pdb @@ -0,0 +1,59 @@ +REMARK 1l2y ENERGY -8.77000E+01 +ATOM 1 CA ASN 1 3.800 0.000 0.000 +ATOM 2 CB ASN 1 4.328 0.358 1.558 +ATOM 3 CA LEU 2 5.624 -3.333 0.000 +ATOM 4 CB LEU 2 6.643 -4.671 -0.966 +ATOM 5 CA TYR 3 6.272 -4.612 3.519 +ATOM 6 CB TYR 3 6.315 -2.666 5.063 +ATOM 7 CA ILE 4 8.711 -7.283 2.355 +ATOM 8 CB ILE 4 8.216 -8.728 1.448 +ATOM 9 CA GLN 5 11.222 -4.594 1.401 +ATOM 10 CB GLN 5 10.552 -2.925 0.067 +ATOM 11 CA TRP 6 10.658 -2.913 4.762 +ATOM 12 CB TRP 6 10.060 -0.971 6.392 +ATOM 13 CA LEU 7 10.918 -6.266 6.530 +ATOM 14 CB LEU 7 9.113 -6.017 7.193 +ATOM 15 CA LYS 8 14.197 -6.994 4.752 +ATOM 16 CB LYS 8 13.112 -6.982 2.455 +ATOM 17 CA ASP 9 15.391 -3.417 5.223 +ATOM 18 CB ASP 9 14.381 -2.802 3.990 +ATOM 19 CA GLY 10 15.949 -4.025 8.933 +ATOM 20 CA GLY 11 12.642 -4.992 10.535 +ATOM 21 CA PRO 12 10.740 -1.707 10.370 +ATOM 22 CB PRO 12 9.567 -2.318 10.613 +ATOM 23 CA SER 13 13.920 0.372 10.373 +ATOM 24 CB SER 13 14.895 -0.233 10.451 +ATOM 25 CA SER 14 13.822 0.910 6.613 +ATOM 26 CB SER 14 13.821 -0.223 6.807 +ATOM 27 CA GLY 15 12.787 4.113 4.849 +ATOM 28 CA ARG 16 9.083 3.275 4.705 +ATOM 29 CB ARG 16 8.655 0.595 3.380 +ATOM 30 CA PRO 17 6.632 3.535 7.598 +ATOM 31 CB PRO 17 5.777 3.536 6.559 +ATOM 32 CA PRO 18 6.606 0.894 10.330 +ATOM 33 CB PRO 18 6.639 1.954 11.158 +ATOM 34 CA PRO 19 3.613 -1.425 10.653 +ATOM 35 CB PRO 19 4.384 -2.179 9.850 +ATOM 36 CA SER 20 2.195 -2.065 14.120 +ATOM 37 CB SER 20 1.067 -1.845 14.166 +TER +CONECT 1 3 2 +CONECT 3 5 4 +CONECT 5 7 6 +CONECT 7 9 8 +CONECT 9 11 10 +CONECT 11 13 12 +CONECT 13 15 14 +CONECT 15 17 16 +CONECT 17 19 18 +CONECT 19 20 +CONECT 20 21 +CONECT 21 23 22 +CONECT 23 25 24 +CONECT 25 27 26 +CONECT 27 28 +CONECT 28 30 29 +CONECT 30 32 31 +CONECT 32 34 33 +CONECT 34 35 +CONECT 36 37 diff --git a/examples/unres/CSA/GAB/CSA/global/unrestrained/CLUSTER/1l2y_csa_GB0000001_029.pdb b/examples/unres/CSA/GAB/CSA/global/unrestrained/CLUSTER/1l2y_csa_GB0000001_029.pdb new file mode 100644 index 0000000..a502ad6 --- /dev/null +++ b/examples/unres/CSA/GAB/CSA/global/unrestrained/CLUSTER/1l2y_csa_GB0000001_029.pdb @@ -0,0 +1,59 @@ +REMARK 1l2y ENERGY -8.76400E+01 +ATOM 1 CA ASN 1 3.800 0.000 0.000 +ATOM 2 CB ASN 1 5.371 0.485 0.362 +ATOM 3 CA LEU 2 4.052 -3.792 0.000 +ATOM 4 CB LEU 2 3.292 -5.513 0.467 +ATOM 5 CA TYR 3 5.536 -5.256 -3.177 +ATOM 6 CB TYR 3 8.003 -4.985 -3.078 +ATOM 7 CA ILE 4 6.271 -8.980 -3.351 +ATOM 8 CB ILE 4 5.076 -9.766 -2.298 +ATOM 9 CA GLN 5 6.655 -8.798 -7.127 +ATOM 10 CB GLN 5 5.577 -6.913 -7.677 +ATOM 11 CA TRP 6 9.235 -6.038 -6.713 +ATOM 12 CB TRP 6 8.892 -3.464 -6.911 +ATOM 13 CA LEU 7 11.068 -8.112 -4.109 +ATOM 14 CB LEU 7 11.004 -9.061 -2.419 +ATOM 15 CA LYS 8 12.097 -10.603 -6.789 +ATOM 16 CB LYS 8 9.670 -11.298 -6.498 +ATOM 17 CA ASP 9 13.348 -7.808 -9.038 +ATOM 18 CB ASP 9 12.127 -6.620 -9.172 +ATOM 19 CA GLY 10 16.945 -8.410 -7.971 +ATOM 20 CA GLY 11 16.506 -9.899 -4.502 +ATOM 21 CA PRO 12 15.421 -6.756 -2.661 +ATOM 22 CB PRO 12 15.170 -7.502 -1.571 +ATOM 23 CA SER 13 17.033 -4.427 -5.194 +ATOM 24 CB SER 13 17.558 -4.875 -6.114 +ATOM 25 CA SER 14 13.724 -3.448 -6.785 +ATOM 26 CB SER 14 12.961 -4.085 -6.207 +ATOM 27 CA GLY 15 12.110 -0.013 -6.589 +ATOM 28 CA ARG 16 9.679 -0.865 -3.795 +ATOM 29 CB ARG 16 6.757 -1.423 -3.272 +ATOM 30 CA PRO 17 10.353 -1.911 -0.205 +ATOM 31 CB PRO 17 9.072 -2.271 -0.012 +ATOM 32 CA PRO 18 11.383 -5.540 0.251 +ATOM 33 CB PRO 18 12.499 -4.954 0.718 +ATOM 34 CA PRO 19 8.970 -7.860 2.050 +ATOM 35 CB PRO 19 8.069 -7.476 1.128 +ATOM 36 CA SER 20 11.751 -9.886 3.663 +ATOM 37 CB SER 20 12.663 -9.968 2.967 +TER +CONECT 1 3 2 +CONECT 3 5 4 +CONECT 5 7 6 +CONECT 7 9 8 +CONECT 9 11 10 +CONECT 11 13 12 +CONECT 13 15 14 +CONECT 15 17 16 +CONECT 17 19 18 +CONECT 19 20 +CONECT 20 21 +CONECT 21 23 22 +CONECT 23 25 24 +CONECT 25 27 26 +CONECT 27 28 +CONECT 28 30 29 +CONECT 30 32 31 +CONECT 32 34 33 +CONECT 34 35 +CONECT 36 37 diff --git a/examples/unres/CSA/GAB/CSA/global/unrestrained/CLUSTER/1l2y_csa_GB0000001_030.pdb b/examples/unres/CSA/GAB/CSA/global/unrestrained/CLUSTER/1l2y_csa_GB0000001_030.pdb new file mode 100644 index 0000000..3bfc513 --- /dev/null +++ b/examples/unres/CSA/GAB/CSA/global/unrestrained/CLUSTER/1l2y_csa_GB0000001_030.pdb @@ -0,0 +1,59 @@ +REMARK 1l2y ENERGY -8.75500E+01 +ATOM 1 CA ASN 1 3.800 0.000 0.000 +ATOM 2 CB ASN 1 5.423 0.376 0.243 +ATOM 3 CA LEU 2 4.055 -3.791 0.000 +ATOM 4 CB LEU 2 3.885 -5.723 -0.003 +ATOM 5 CA TYR 3 5.556 -3.805 -3.491 +ATOM 6 CB TYR 3 4.457 -3.970 -5.713 +ATOM 7 CA ILE 4 9.077 -3.523 -2.089 +ATOM 8 CB ILE 4 9.734 -1.997 -1.460 +ATOM 9 CA GLN 5 8.197 -6.145 0.517 +ATOM 10 CB GLN 5 7.757 -4.389 1.836 +ATOM 11 CA TRP 6 6.691 -8.279 -2.243 +ATOM 12 CB TRP 6 5.553 -7.957 -4.564 +ATOM 13 CA LEU 7 9.923 -7.848 -4.195 +ATOM 14 CB LEU 7 9.669 -7.108 -5.969 +ATOM 15 CA LYS 8 11.883 -9.025 -1.161 +ATOM 16 CB LYS 8 12.548 -6.639 -0.593 +ATOM 17 CA ASP 9 9.444 -11.867 -0.515 +ATOM 18 CB ASP 9 8.019 -11.282 0.224 +ATOM 19 CA GLY 10 10.708 -13.748 -3.565 +ATOM 20 CA GLY 11 10.334 -11.595 -6.674 +ATOM 21 CA PRO 12 6.565 -11.526 -7.156 +ATOM 22 CB PRO 12 6.683 -10.553 -8.077 +ATOM 23 CA SER 13 6.055 -14.789 -5.278 +ATOM 24 CB SER 13 6.992 -15.239 -4.786 +ATOM 25 CA SER 14 4.669 -13.070 -2.186 +ATOM 26 CB SER 14 4.704 -11.923 -2.101 +ATOM 27 CA GLY 15 1.044 -13.255 -3.311 +ATOM 28 CA ARG 16 0.987 -9.768 -4.822 +ATOM 29 CB ARG 16 1.573 -6.935 -3.956 +ATOM 30 CA PRO 17 0.579 -8.558 -8.401 +ATOM 31 CB PRO 17 0.555 -7.319 -7.878 +ATOM 32 CA PRO 18 3.508 -8.859 -10.804 +ATOM 33 CB PRO 18 2.579 -9.267 -11.687 +ATOM 34 CA PRO 19 5.384 -5.707 -11.795 +ATOM 35 CB PRO 19 5.781 -5.731 -10.510 +ATOM 36 CA SER 20 5.664 -6.723 -15.446 +ATOM 37 CB SER 20 5.538 -7.854 -15.613 +TER +CONECT 1 3 2 +CONECT 3 5 4 +CONECT 5 7 6 +CONECT 7 9 8 +CONECT 9 11 10 +CONECT 11 13 12 +CONECT 13 15 14 +CONECT 15 17 16 +CONECT 17 19 18 +CONECT 19 20 +CONECT 20 21 +CONECT 21 23 22 +CONECT 23 25 24 +CONECT 25 27 26 +CONECT 27 28 +CONECT 28 30 29 +CONECT 30 32 31 +CONECT 32 34 33 +CONECT 34 35 +CONECT 36 37 diff --git a/examples/unres/CSA/GAB/CSA/global/unrestrained/CLUSTER/1l2y_csa_GB0000001_031.pdb b/examples/unres/CSA/GAB/CSA/global/unrestrained/CLUSTER/1l2y_csa_GB0000001_031.pdb new file mode 100644 index 0000000..594c7ac --- /dev/null +++ b/examples/unres/CSA/GAB/CSA/global/unrestrained/CLUSTER/1l2y_csa_GB0000001_031.pdb @@ -0,0 +1,59 @@ +REMARK 1l2y ENERGY -8.73800E+01 +ATOM 1 CA ASN 1 3.800 0.000 0.000 +ATOM 2 CB ASN 1 5.432 0.377 0.177 +ATOM 3 CA LEU 2 4.058 -3.791 0.000 +ATOM 4 CB LEU 2 3.852 -5.705 -0.234 +ATOM 5 CA TYR 3 5.990 -3.761 -3.272 +ATOM 6 CB TYR 3 6.008 -1.288 -3.510 +ATOM 7 CA ILE 4 9.262 -3.420 -1.372 +ATOM 8 CB ILE 4 10.017 -1.861 -0.976 +ATOM 9 CA GLN 5 8.243 -6.302 0.885 +ATOM 10 CB GLN 5 7.415 -4.846 2.372 +ATOM 11 CA TRP 6 6.966 -8.241 -2.123 +ATOM 12 CB TRP 6 5.818 -10.328 -3.177 +ATOM 13 CA LEU 7 10.081 -7.351 -4.110 +ATOM 14 CB LEU 7 9.072 -6.128 -5.226 +ATOM 15 CA LYS 8 12.289 -8.305 -1.168 +ATOM 16 CB LYS 8 12.962 -5.969 -0.428 +ATOM 17 CA ASP 9 10.278 -11.459 -0.496 +ATOM 18 CB ASP 9 8.739 -11.004 0.091 +ATOM 19 CA GLY 10 11.639 -13.068 -3.658 +ATOM 20 CA GLY 11 10.359 -11.281 -6.758 +ATOM 21 CA PRO 12 6.600 -11.358 -7.314 +ATOM 22 CB PRO 12 6.603 -10.032 -7.539 +ATOM 23 CA SER 13 6.529 -15.151 -7.532 +ATOM 24 CB SER 13 7.467 -15.638 -7.985 +ATOM 25 CA SER 14 7.521 -15.583 -3.890 +ATOM 26 CB SER 14 7.732 -14.563 -3.402 +ATOM 27 CA GLY 15 3.932 -15.994 -2.712 +ATOM 28 CA ARG 16 1.390 -13.824 -4.521 +ATOM 29 CB ARG 16 1.116 -11.355 -2.805 +ATOM 30 CA PRO 17 2.127 -10.550 -6.304 +ATOM 31 CB PRO 17 1.200 -11.070 -7.128 +ATOM 32 CA PRO 18 2.168 -7.397 -4.183 +ATOM 33 CB PRO 18 3.384 -7.187 -4.718 +ATOM 34 CA PRO 19 -0.539 -4.761 -4.583 +ATOM 35 CB PRO 19 -0.244 -4.533 -3.290 +ATOM 36 CA SER 20 1.810 -2.331 -6.319 +ATOM 37 CB SER 20 2.899 -2.664 -6.158 +TER +CONECT 1 3 2 +CONECT 3 5 4 +CONECT 5 7 6 +CONECT 7 9 8 +CONECT 9 11 10 +CONECT 11 13 12 +CONECT 13 15 14 +CONECT 15 17 16 +CONECT 17 19 18 +CONECT 19 20 +CONECT 20 21 +CONECT 21 23 22 +CONECT 23 25 24 +CONECT 25 27 26 +CONECT 27 28 +CONECT 28 30 29 +CONECT 30 32 31 +CONECT 32 34 33 +CONECT 34 35 +CONECT 36 37 diff --git a/examples/unres/CSA/GAB/CSA/global/unrestrained/CLUSTER/1l2y_csa_GB0000001_032.pdb b/examples/unres/CSA/GAB/CSA/global/unrestrained/CLUSTER/1l2y_csa_GB0000001_032.pdb new file mode 100644 index 0000000..284507c --- /dev/null +++ b/examples/unres/CSA/GAB/CSA/global/unrestrained/CLUSTER/1l2y_csa_GB0000001_032.pdb @@ -0,0 +1,59 @@ +REMARK 1l2y ENERGY -8.72500E+01 +ATOM 1 CA ASN 1 3.800 0.000 0.000 +ATOM 2 CB ASN 1 4.378 0.075 1.580 +ATOM 3 CA LEU 2 4.048 -3.792 0.000 +ATOM 4 CB LEU 2 3.319 -5.497 0.567 +ATOM 5 CA TYR 3 3.485 -4.011 -3.752 +ATOM 6 CB TYR 3 4.439 -1.726 -3.566 +ATOM 7 CA ILE 4 5.724 -5.544 -6.411 +ATOM 8 CB ILE 4 4.965 -6.682 -7.544 +ATOM 9 CA GLN 5 7.364 -2.184 -7.091 +ATOM 10 CB GLN 5 6.230 -0.252 -7.087 +ATOM 11 CA TRP 6 8.392 -1.950 -3.440 +ATOM 12 CB TRP 6 8.197 -1.195 -0.955 +ATOM 13 CA LEU 7 9.065 -5.688 -3.313 +ATOM 14 CB LEU 7 8.335 -5.780 -1.518 +ATOM 15 CA LYS 8 11.438 -5.399 -6.266 +ATOM 16 CB LYS 8 9.728 -4.364 -7.835 +ATOM 17 CA ASP 9 13.045 -2.276 -4.815 +ATOM 18 CB ASP 9 11.722 -1.253 -5.170 +ATOM 19 CA GLY 10 15.050 -4.391 -2.377 +ATOM 20 CA GLY 11 12.456 -6.168 -0.243 +ATOM 21 CA PRO 12 10.919 -3.099 1.387 +ATOM 22 CB PRO 12 10.742 -3.599 2.623 +ATOM 23 CA SER 13 14.229 -1.234 1.409 +ATOM 24 CB SER 13 15.087 -1.771 0.864 +ATOM 25 CA SER 14 13.207 1.058 -1.444 +ATOM 26 CB SER 14 12.188 0.678 -1.820 +ATOM 27 CA GLY 15 12.462 4.685 -0.589 +ATOM 28 CA ARG 16 9.077 3.976 0.984 +ATOM 29 CB ARG 16 8.817 2.643 -1.714 +ATOM 30 CA PRO 17 8.230 2.717 4.468 +ATOM 31 CB PRO 17 7.040 3.211 4.084 +ATOM 32 CA PRO 18 9.069 -0.881 5.357 +ATOM 33 CB PRO 18 9.424 -0.384 6.555 +ATOM 34 CA PRO 19 6.245 -3.415 5.585 +ATOM 35 CB PRO 19 6.437 -3.403 4.253 +ATOM 36 CA SER 20 8.150 -5.594 8.047 +ATOM 37 CB SER 20 9.258 -5.659 7.749 +TER +CONECT 1 3 2 +CONECT 3 5 4 +CONECT 5 7 6 +CONECT 7 9 8 +CONECT 9 11 10 +CONECT 11 13 12 +CONECT 13 15 14 +CONECT 15 17 16 +CONECT 17 19 18 +CONECT 19 20 +CONECT 20 21 +CONECT 21 23 22 +CONECT 23 25 24 +CONECT 25 27 26 +CONECT 27 28 +CONECT 28 30 29 +CONECT 30 32 31 +CONECT 32 34 33 +CONECT 34 35 +CONECT 36 37 diff --git a/examples/unres/CSA/GAB/CSA/global/unrestrained/CLUSTER/1l2y_csa_GB0000001_033.pdb b/examples/unres/CSA/GAB/CSA/global/unrestrained/CLUSTER/1l2y_csa_GB0000001_033.pdb new file mode 100644 index 0000000..a070eb3 --- /dev/null +++ b/examples/unres/CSA/GAB/CSA/global/unrestrained/CLUSTER/1l2y_csa_GB0000001_033.pdb @@ -0,0 +1,59 @@ +REMARK 1l2y ENERGY -8.72400E+01 +ATOM 1 CA ASN 1 3.800 0.000 0.000 +ATOM 2 CB ASN 1 5.426 0.413 0.145 +ATOM 3 CA LEU 2 4.057 -3.791 0.000 +ATOM 4 CB LEU 2 3.885 -5.655 -0.508 +ATOM 5 CA TYR 3 6.076 -3.739 -3.219 +ATOM 6 CB TYR 3 5.714 -1.315 -3.621 +ATOM 7 CA ILE 4 9.292 -3.170 -1.277 +ATOM 8 CB ILE 4 10.045 -1.588 -0.982 +ATOM 9 CA GLN 5 8.357 -5.952 1.136 +ATOM 10 CB GLN 5 7.340 -4.398 2.388 +ATOM 11 CA TRP 6 7.216 -8.117 -1.771 +ATOM 12 CB TRP 6 7.212 -10.672 -2.280 +ATOM 13 CA LEU 7 10.342 -7.237 -3.743 +ATOM 14 CB LEU 7 9.331 -6.076 -4.922 +ATOM 15 CA LYS 8 12.498 -8.142 -0.748 +ATOM 16 CB LYS 8 12.885 -5.802 0.164 +ATOM 17 CA ASP 9 10.710 -11.480 -0.433 +ATOM 18 CB ASP 9 9.703 -11.307 0.937 +ATOM 19 CA GLY 10 10.844 -12.068 -4.185 +ATOM 20 CA GLY 11 9.962 -15.762 -4.059 +ATOM 21 CA PRO 12 6.919 -17.947 -4.695 +ATOM 22 CB PRO 12 7.734 -19.001 -4.508 +ATOM 23 CA SER 13 3.945 -18.155 -2.339 +ATOM 24 CB SER 13 3.589 -17.273 -2.985 +ATOM 25 CA SER 14 6.065 -20.071 0.166 +ATOM 26 CB SER 14 7.026 -20.498 -0.301 +ATOM 27 CA GLY 15 7.597 -16.876 1.539 +ATOM 28 CA ARG 16 5.664 -13.718 0.684 +ATOM 29 CB ARG 16 5.716 -10.761 1.294 +ATOM 30 CA PRO 17 3.429 -13.092 -2.324 +ATOM 31 CB PRO 17 2.968 -12.061 -1.594 +ATOM 32 CA PRO 18 4.992 -12.059 -5.630 +ATOM 33 CB PRO 18 5.025 -13.392 -5.808 +ATOM 34 CA PRO 19 3.794 -8.587 -6.605 +ATOM 35 CB PRO 19 4.507 -7.975 -5.643 +ATOM 36 CA SER 20 5.309 -8.800 -10.084 +ATOM 37 CB SER 20 6.408 -9.137 -10.099 +TER +CONECT 1 3 2 +CONECT 3 5 4 +CONECT 5 7 6 +CONECT 7 9 8 +CONECT 9 11 10 +CONECT 11 13 12 +CONECT 13 15 14 +CONECT 15 17 16 +CONECT 17 19 18 +CONECT 19 20 +CONECT 20 21 +CONECT 21 23 22 +CONECT 23 25 24 +CONECT 25 27 26 +CONECT 27 28 +CONECT 28 30 29 +CONECT 30 32 31 +CONECT 32 34 33 +CONECT 34 35 +CONECT 36 37 diff --git a/examples/unres/CSA/GAB/CSA/global/unrestrained/CLUSTER/1l2y_csa_GB0000001_034.pdb b/examples/unres/CSA/GAB/CSA/global/unrestrained/CLUSTER/1l2y_csa_GB0000001_034.pdb new file mode 100644 index 0000000..e87eaea --- /dev/null +++ b/examples/unres/CSA/GAB/CSA/global/unrestrained/CLUSTER/1l2y_csa_GB0000001_034.pdb @@ -0,0 +1,59 @@ +REMARK 1l2y ENERGY -8.72100E+01 +ATOM 1 CA ASN 1 3.800 0.000 0.000 +ATOM 2 CB ASN 1 5.460 0.281 0.046 +ATOM 3 CA LEU 2 4.064 -3.791 0.000 +ATOM 4 CB LEU 2 3.802 -5.705 -0.169 +ATOM 5 CA TYR 3 6.300 -3.732 -3.072 +ATOM 6 CB TYR 3 5.893 -5.780 -4.417 +ATOM 7 CA ILE 4 9.408 -3.487 -0.901 +ATOM 8 CB ILE 4 10.205 -1.990 -0.373 +ATOM 9 CA GLN 5 8.096 -6.293 1.301 +ATOM 10 CB GLN 5 7.185 -4.775 2.673 +ATOM 11 CA TRP 6 7.112 -8.267 -1.794 +ATOM 12 CB TRP 6 5.679 -10.161 -2.862 +ATOM 13 CA LEU 7 10.500 -7.544 -3.355 +ATOM 14 CB LEU 7 10.290 -6.128 -4.664 +ATOM 15 CA LYS 8 12.241 -8.722 -0.190 +ATOM 16 CB LYS 8 12.895 -6.385 0.562 +ATOM 17 CA ASP 9 9.867 -11.665 0.185 +ATOM 18 CB ASP 9 8.371 -10.999 0.674 +ATOM 19 CA GLY 10 11.337 -13.340 -2.893 +ATOM 20 CA GLY 11 10.957 -11.297 -6.075 +ATOM 21 CA PRO 12 7.175 -11.187 -6.425 +ATOM 22 CB PRO 12 7.049 -11.951 -7.524 +ATOM 23 CA SER 13 6.669 -14.280 -4.277 +ATOM 24 CB SER 13 7.652 -14.866 -4.168 +ATOM 25 CA SER 14 5.936 -14.058 -0.555 +ATOM 26 CB SER 14 5.157 -13.263 -0.265 +ATOM 27 CA GLY 15 3.592 -17.048 -0.508 +ATOM 28 CA ARG 16 0.747 -15.130 -2.141 +ATOM 29 CB ARG 16 1.238 -12.151 -2.209 +ATOM 30 CA PRO 17 0.553 -13.611 -5.619 +ATOM 31 CB PRO 17 -0.696 -14.096 -5.493 +ATOM 32 CA PRO 18 2.388 -10.343 -6.245 +ATOM 33 CB PRO 18 2.730 -10.923 -7.409 +ATOM 34 CA PRO 19 0.463 -7.080 -6.531 +ATOM 35 CB PRO 19 1.216 -6.795 -5.454 +ATOM 36 CA SER 20 0.530 -5.220 -9.844 +ATOM 37 CB SER 20 -0.530 -4.993 -10.226 +TER +CONECT 1 3 2 +CONECT 3 5 4 +CONECT 5 7 6 +CONECT 7 9 8 +CONECT 9 11 10 +CONECT 11 13 12 +CONECT 13 15 14 +CONECT 15 17 16 +CONECT 17 19 18 +CONECT 19 20 +CONECT 20 21 +CONECT 21 23 22 +CONECT 23 25 24 +CONECT 25 27 26 +CONECT 27 28 +CONECT 28 30 29 +CONECT 30 32 31 +CONECT 32 34 33 +CONECT 34 35 +CONECT 36 37 diff --git a/examples/unres/CSA/GAB/CSA/global/unrestrained/CLUSTER/1l2y_csa_GB0000001_035.pdb b/examples/unres/CSA/GAB/CSA/global/unrestrained/CLUSTER/1l2y_csa_GB0000001_035.pdb new file mode 100644 index 0000000..8b06fea --- /dev/null +++ b/examples/unres/CSA/GAB/CSA/global/unrestrained/CLUSTER/1l2y_csa_GB0000001_035.pdb @@ -0,0 +1,59 @@ +REMARK 1l2y ENERGY -8.71200E+01 +ATOM 1 CA ASN 1 3.800 0.000 0.000 +ATOM 2 CB ASN 1 5.433 0.373 0.171 +ATOM 3 CA LEU 2 4.058 -3.791 0.000 +ATOM 4 CB LEU 2 3.517 -5.611 -0.396 +ATOM 5 CA TYR 3 5.599 -3.785 -3.473 +ATOM 6 CB TYR 3 4.709 -5.254 -5.267 +ATOM 7 CA ILE 4 9.017 -2.750 -2.175 +ATOM 8 CB ILE 4 9.616 -1.080 -2.092 +ATOM 9 CA GLN 5 8.659 -4.827 0.987 +ATOM 10 CB GLN 5 7.446 -3.168 1.879 +ATOM 11 CA TRP 6 7.731 -7.883 -1.071 +ATOM 12 CB TRP 6 6.236 -8.574 -3.090 +ATOM 13 CA LEU 7 10.284 -6.965 -3.731 +ATOM 14 CB LEU 7 9.370 -6.499 -5.376 +ATOM 15 CA LYS 8 13.011 -6.825 -1.087 +ATOM 16 CB LYS 8 13.320 -4.306 -0.972 +ATOM 17 CA ASP 9 11.743 -10.029 0.516 +ATOM 18 CB ASP 9 10.403 -9.659 1.510 +ATOM 19 CA GLY 10 12.158 -11.962 -2.729 +ATOM 20 CA GLY 11 9.214 -11.860 -5.131 +ATOM 21 CA PRO 12 6.025 -13.274 -3.623 +ATOM 22 CB PRO 12 5.501 -12.915 -4.809 +ATOM 23 CA SER 13 5.465 -16.806 -2.340 +ATOM 24 CB SER 13 6.283 -17.211 -1.641 +ATOM 25 CA SER 14 3.004 -15.760 0.360 +ATOM 26 CB SER 14 3.099 -14.662 0.687 +ATOM 27 CA GLY 15 0.104 -15.273 -2.047 +ATOM 28 CA ARG 16 1.162 -11.733 -2.934 +ATOM 29 CB ARG 16 3.713 -11.242 -1.394 +ATOM 30 CA PRO 17 0.644 -9.637 -6.062 +ATOM 31 CB PRO 17 1.014 -8.684 -5.188 +ATOM 32 CA PRO 18 2.741 -10.708 -9.045 +ATOM 33 CB PRO 18 1.618 -10.514 -9.758 +ATOM 34 CA PRO 19 5.764 -8.632 -10.040 +ATOM 35 CB PRO 19 6.294 -9.091 -8.893 +ATOM 36 CA SER 20 4.962 -8.806 -13.751 +ATOM 37 CB SER 20 4.235 -9.656 -14.016 +TER +CONECT 1 3 2 +CONECT 3 5 4 +CONECT 5 7 6 +CONECT 7 9 8 +CONECT 9 11 10 +CONECT 11 13 12 +CONECT 13 15 14 +CONECT 15 17 16 +CONECT 17 19 18 +CONECT 19 20 +CONECT 20 21 +CONECT 21 23 22 +CONECT 23 25 24 +CONECT 25 27 26 +CONECT 27 28 +CONECT 28 30 29 +CONECT 30 32 31 +CONECT 32 34 33 +CONECT 34 35 +CONECT 36 37 diff --git a/examples/unres/CSA/GAB/CSA/global/unrestrained/CLUSTER/1l2y_csa_GB0000001_036.pdb b/examples/unres/CSA/GAB/CSA/global/unrestrained/CLUSTER/1l2y_csa_GB0000001_036.pdb new file mode 100644 index 0000000..77e546a --- /dev/null +++ b/examples/unres/CSA/GAB/CSA/global/unrestrained/CLUSTER/1l2y_csa_GB0000001_036.pdb @@ -0,0 +1,59 @@ +REMARK 1l2y ENERGY -8.69700E+01 +ATOM 1 CA ASN 1 3.800 0.000 0.000 +ATOM 2 CB ASN 1 5.441 0.339 0.166 +ATOM 3 CA LEU 2 4.059 -3.791 0.000 +ATOM 4 CB LEU 2 3.799 -5.693 -0.275 +ATOM 5 CA TYR 3 5.818 -3.768 -3.368 +ATOM 6 CB TYR 3 4.937 -5.569 -4.834 +ATOM 7 CA ILE 4 9.182 -3.004 -1.773 +ATOM 8 CB ILE 4 9.889 -1.385 -1.589 +ATOM 9 CA GLN 5 8.416 -5.286 1.167 +ATOM 10 CB GLN 5 7.363 -3.577 2.161 +ATOM 11 CA TRP 6 7.389 -8.053 -1.225 +ATOM 12 CB TRP 6 6.501 -9.213 -3.382 +ATOM 13 CA LEU 7 10.306 -7.253 -3.525 +ATOM 14 CB LEU 7 9.586 -6.506 -5.163 +ATOM 15 CA LYS 8 12.744 -7.431 -0.615 +ATOM 16 CB LYS 8 13.330 -4.959 -0.590 +ATOM 17 CA ASP 9 10.807 -10.213 1.103 +ATOM 18 CB ASP 9 9.636 -9.295 1.943 +ATOM 19 CA GLY 10 11.220 -12.580 -1.841 +ATOM 20 CA GLY 11 9.804 -11.779 -5.274 +ATOM 21 CA PRO 12 7.600 -14.343 -7.008 +ATOM 22 CB PRO 12 7.191 -13.397 -7.874 +ATOM 23 CA SER 13 9.330 -17.247 -5.274 +ATOM 24 CB SER 13 10.434 -17.057 -5.011 +ATOM 25 CA SER 14 7.978 -16.265 -1.862 +ATOM 26 CB SER 14 7.918 -15.124 -1.731 +ATOM 27 CA GLY 15 4.294 -16.740 -2.663 +ATOM 28 CA ARG 16 3.602 -13.024 -3.052 +ATOM 29 CB ARG 16 4.851 -11.472 -0.782 +ATOM 30 CA PRO 17 1.727 -11.048 -5.702 +ATOM 31 CB PRO 17 1.929 -10.106 -4.764 +ATOM 32 CA PRO 18 3.283 -11.071 -9.169 +ATOM 33 CB PRO 18 2.018 -11.268 -9.582 +ATOM 34 CA PRO 19 5.209 -8.015 -10.347 +ATOM 35 CB PRO 19 6.034 -8.307 -9.325 +ATOM 36 CA SER 20 3.832 -8.200 -13.884 +ATOM 37 CB SER 20 3.445 -9.244 -14.170 +TER +CONECT 1 3 2 +CONECT 3 5 4 +CONECT 5 7 6 +CONECT 7 9 8 +CONECT 9 11 10 +CONECT 11 13 12 +CONECT 13 15 14 +CONECT 15 17 16 +CONECT 17 19 18 +CONECT 19 20 +CONECT 20 21 +CONECT 21 23 22 +CONECT 23 25 24 +CONECT 25 27 26 +CONECT 27 28 +CONECT 28 30 29 +CONECT 30 32 31 +CONECT 32 34 33 +CONECT 34 35 +CONECT 36 37 diff --git a/examples/unres/CSA/GAB/CSA/global/unrestrained/CLUSTER/1l2y_csa_GB0000001_037.pdb b/examples/unres/CSA/GAB/CSA/global/unrestrained/CLUSTER/1l2y_csa_GB0000001_037.pdb new file mode 100644 index 0000000..4b62423 --- /dev/null +++ b/examples/unres/CSA/GAB/CSA/global/unrestrained/CLUSTER/1l2y_csa_GB0000001_037.pdb @@ -0,0 +1,59 @@ +REMARK 1l2y ENERGY -8.67300E+01 +ATOM 1 CA ASN 1 3.800 0.000 0.000 +ATOM 2 CB ASN 1 5.398 0.439 0.301 +ATOM 3 CA LEU 2 4.054 -3.792 0.000 +ATOM 4 CB LEU 2 3.539 -5.653 0.179 +ATOM 5 CA TYR 3 5.034 -3.934 -3.669 +ATOM 6 CB TYR 3 6.237 -1.794 -3.288 +ATOM 7 CA ILE 4 8.139 -5.707 -4.955 +ATOM 8 CB ILE 4 7.789 -6.967 -6.157 +ATOM 9 CA GLN 5 10.202 -2.539 -4.577 +ATOM 10 CB GLN 5 9.359 -1.003 -5.973 +ATOM 11 CA TRP 6 9.172 -2.279 -0.928 +ATOM 12 CB TRP 6 7.832 -2.782 1.248 +ATOM 13 CA LEU 7 9.437 -6.049 -0.526 +ATOM 14 CB LEU 7 8.716 -7.734 -1.157 +ATOM 15 CA LYS 8 13.168 -5.861 -1.221 +ATOM 16 CB LYS 8 12.945 -3.790 -2.677 +ATOM 17 CA ASP 9 13.495 -3.063 1.329 +ATOM 18 CB ASP 9 12.605 -1.769 0.656 +ATOM 19 CA GLY 10 13.433 -5.539 4.211 +ATOM 20 CA GLY 11 13.101 -9.047 2.788 +ATOM 21 CA PRO 12 9.562 -10.323 2.249 +ATOM 22 CB PRO 12 9.940 -11.610 2.344 +ATOM 23 CA SER 13 8.575 -9.564 5.839 +ATOM 24 CB SER 13 9.450 -9.538 6.585 +ATOM 25 CA SER 14 8.404 -5.819 5.218 +ATOM 26 CB SER 14 8.789 -6.050 4.159 +ATOM 27 CA GLY 15 5.419 -5.360 7.524 +ATOM 28 CA ARG 16 2.935 -6.900 5.096 +ATOM 29 CB ARG 16 2.890 -4.041 4.123 +ATOM 30 CA PRO 17 2.929 -10.227 3.260 +ATOM 31 CB PRO 17 1.608 -10.003 3.377 +ATOM 32 CA PRO 18 5.127 -10.489 0.172 +ATOM 33 CB PRO 18 5.606 -11.562 0.827 +ATOM 34 CA PRO 19 3.551 -10.504 -3.286 +ATOM 35 CB PRO 19 4.089 -9.279 -3.418 +ATOM 36 CA SER 20 6.381 -12.497 -4.854 +ATOM 37 CB SER 20 7.338 -11.864 -4.938 +TER +CONECT 1 3 2 +CONECT 3 5 4 +CONECT 5 7 6 +CONECT 7 9 8 +CONECT 9 11 10 +CONECT 11 13 12 +CONECT 13 15 14 +CONECT 15 17 16 +CONECT 17 19 18 +CONECT 19 20 +CONECT 20 21 +CONECT 21 23 22 +CONECT 23 25 24 +CONECT 25 27 26 +CONECT 27 28 +CONECT 28 30 29 +CONECT 30 32 31 +CONECT 32 34 33 +CONECT 34 35 +CONECT 36 37 diff --git a/examples/unres/CSA/GAB/CSA/global/unrestrained/CLUSTER/1l2y_csa_GB0000001_038.pdb b/examples/unres/CSA/GAB/CSA/global/unrestrained/CLUSTER/1l2y_csa_GB0000001_038.pdb new file mode 100644 index 0000000..05b52cb --- /dev/null +++ b/examples/unres/CSA/GAB/CSA/global/unrestrained/CLUSTER/1l2y_csa_GB0000001_038.pdb @@ -0,0 +1,59 @@ +REMARK 1l2y ENERGY -8.67100E+01 +ATOM 1 CA ASN 1 3.800 0.000 0.000 +ATOM 2 CB ASN 1 5.358 0.490 0.411 +ATOM 3 CA LEU 2 4.050 -3.792 0.000 +ATOM 4 CB LEU 2 3.592 -5.579 0.597 +ATOM 5 CA TYR 3 3.828 -3.996 -3.788 +ATOM 6 CB TYR 3 4.893 -1.765 -3.538 +ATOM 7 CA ILE 4 6.168 -5.243 -6.510 +ATOM 8 CB ILE 4 5.444 -6.466 -7.576 +ATOM 9 CA GLN 5 7.511 -1.732 -7.067 +ATOM 10 CB GLN 5 5.696 -0.436 -7.276 +ATOM 11 CA TRP 6 8.761 -1.644 -3.480 +ATOM 12 CB TRP 6 9.670 -0.628 -1.260 +ATOM 13 CA LEU 7 9.987 -5.228 -3.779 +ATOM 14 CB LEU 7 9.555 -7.071 -4.199 +ATOM 15 CA LYS 8 12.103 -4.313 -6.801 +ATOM 16 CB LYS 8 10.014 -3.790 -8.150 +ATOM 17 CA ASP 9 14.404 -2.174 -4.663 +ATOM 18 CB ASP 9 13.344 -1.128 -3.824 +ATOM 19 CA GLY 10 17.088 -4.864 -4.708 +ATOM 20 CA GLY 11 14.933 -7.905 -5.447 +ATOM 21 CA PRO 12 13.082 -8.111 -2.135 +ATOM 22 CB PRO 12 13.363 -9.413 -1.953 +ATOM 23 CA SER 13 15.803 -6.230 -0.264 +ATOM 24 CB SER 13 16.741 -5.886 -0.834 +ATOM 25 CA SER 14 13.843 -2.975 -0.179 +ATOM 26 CB SER 14 12.822 -3.192 -0.662 +ATOM 27 CA GLY 15 12.657 -1.667 3.186 +ATOM 28 CA ARG 16 9.251 -3.341 2.999 +ATOM 29 CB ARG 16 8.113 -3.890 0.256 +ATOM 30 CA PRO 17 8.326 -7.025 2.888 +ATOM 31 CB PRO 17 7.241 -6.540 3.518 +ATOM 32 CA PRO 18 8.357 -8.758 -0.494 +ATOM 33 CB PRO 18 9.202 -9.599 0.130 +ATOM 34 CA PRO 19 5.082 -9.778 -2.129 +ATOM 35 CB PRO 19 5.185 -8.528 -2.616 +ATOM 36 CA SER 20 4.887 -13.176 -3.817 +ATOM 37 CB SER 20 4.000 -13.794 -3.424 +TER +CONECT 1 3 2 +CONECT 3 5 4 +CONECT 5 7 6 +CONECT 7 9 8 +CONECT 9 11 10 +CONECT 11 13 12 +CONECT 13 15 14 +CONECT 15 17 16 +CONECT 17 19 18 +CONECT 19 20 +CONECT 20 21 +CONECT 21 23 22 +CONECT 23 25 24 +CONECT 25 27 26 +CONECT 27 28 +CONECT 28 30 29 +CONECT 30 32 31 +CONECT 32 34 33 +CONECT 34 35 +CONECT 36 37 diff --git a/examples/unres/CSA/GAB/CSA/global/unrestrained/CLUSTER/1l2y_csa_GB0000001_039.pdb b/examples/unres/CSA/GAB/CSA/global/unrestrained/CLUSTER/1l2y_csa_GB0000001_039.pdb new file mode 100644 index 0000000..97baf44 --- /dev/null +++ b/examples/unres/CSA/GAB/CSA/global/unrestrained/CLUSTER/1l2y_csa_GB0000001_039.pdb @@ -0,0 +1,59 @@ +REMARK 1l2y ENERGY -8.64400E+01 +ATOM 1 CA ASN 1 3.800 0.000 0.000 +ATOM 2 CB ASN 1 5.389 0.454 0.323 +ATOM 3 CA LEU 2 4.053 -3.792 0.000 +ATOM 4 CB LEU 2 3.877 -4.507 1.793 +ATOM 5 CA TYR 3 3.244 -3.971 -3.709 +ATOM 6 CB TYR 3 2.473 -2.854 -5.789 +ATOM 7 CA ILE 4 6.879 -3.248 -4.552 +ATOM 8 CB ILE 4 7.598 -1.903 -3.642 +ATOM 9 CA GLN 5 7.658 -6.953 -4.220 +ATOM 10 CB GLN 5 6.343 -7.031 -2.408 +ATOM 11 CA TRP 6 5.235 -7.691 -7.053 +ATOM 12 CB TRP 6 4.035 -9.218 -8.790 +ATOM 13 CA LEU 7 6.627 -4.768 -9.042 +ATOM 14 CB LEU 7 7.024 -2.870 -9.017 +ATOM 15 CA LYS 8 10.067 -6.383 -9.026 +ATOM 16 CB LYS 8 10.703 -5.187 -6.876 +ATOM 17 CA ASP 9 8.702 -9.396 -10.897 +ATOM 18 CB ASP 9 7.346 -10.329 -11.354 +ATOM 19 CA GLY 10 10.439 -8.296 -14.092 +ATOM 20 CA GLY 11 10.935 -4.601 -13.357 +ATOM 21 CA PRO 12 7.354 -3.406 -13.790 +ATOM 22 CB PRO 12 7.734 -2.175 -13.402 +ATOM 23 CA SER 13 6.383 -6.406 -15.911 +ATOM 24 CB SER 13 7.172 -7.203 -16.166 +ATOM 25 CA SER 14 4.591 -8.165 -13.059 +ATOM 26 CB SER 14 4.580 -7.399 -12.201 +ATOM 27 CA GLY 15 0.904 -9.059 -13.274 +ATOM 28 CA ARG 16 -0.335 -5.937 -11.497 +ATOM 29 CB ARG 16 1.837 -5.516 -9.442 +ATOM 30 CA PRO 17 0.384 -2.274 -12.210 +ATOM 31 CB PRO 17 -0.804 -2.147 -11.592 +ATOM 32 CA PRO 18 3.627 -0.785 -10.903 +ATOM 33 CB PRO 18 3.826 -0.511 -12.204 +ATOM 34 CA PRO 19 3.697 1.926 -8.241 +ATOM 35 CB PRO 19 4.253 1.097 -7.339 +ATOM 36 CA SER 20 6.723 3.615 -9.801 +ATOM 37 CB SER 20 7.275 2.860 -10.471 +TER +CONECT 1 3 2 +CONECT 3 5 4 +CONECT 5 7 6 +CONECT 7 9 8 +CONECT 9 11 10 +CONECT 11 13 12 +CONECT 13 15 14 +CONECT 15 17 16 +CONECT 17 19 18 +CONECT 19 20 +CONECT 20 21 +CONECT 21 23 22 +CONECT 23 25 24 +CONECT 25 27 26 +CONECT 27 28 +CONECT 28 30 29 +CONECT 30 32 31 +CONECT 32 34 33 +CONECT 34 35 +CONECT 36 37 diff --git a/examples/unres/CSA/GAB/CSA/global/unrestrained/CLUSTER/1l2y_csa_GB0000001_040.pdb b/examples/unres/CSA/GAB/CSA/global/unrestrained/CLUSTER/1l2y_csa_GB0000001_040.pdb new file mode 100644 index 0000000..7b369ea --- /dev/null +++ b/examples/unres/CSA/GAB/CSA/global/unrestrained/CLUSTER/1l2y_csa_GB0000001_040.pdb @@ -0,0 +1,59 @@ +REMARK 1l2y ENERGY -8.63500E+01 +ATOM 1 CA ASN 1 3.800 0.000 0.000 +ATOM 2 CB ASN 1 5.297 0.716 0.288 +ATOM 3 CA LEU 2 5.564 -3.366 0.000 +ATOM 4 CB LEU 2 5.500 -5.148 -0.761 +ATOM 5 CA TYR 3 9.337 -3.364 0.453 +ATOM 6 CB TYR 3 10.260 -1.221 1.304 +ATOM 7 CA ILE 4 9.867 -4.406 -3.162 +ATOM 8 CB ILE 4 9.790 -6.085 -3.735 +ATOM 9 CA GLN 5 7.808 -1.448 -4.367 +ATOM 10 CB GLN 5 5.921 -2.648 -4.490 +ATOM 11 CA TRP 6 9.432 0.798 -1.767 +ATOM 12 CB TRP 6 10.274 3.047 -0.757 +ATOM 13 CA LEU 7 12.900 -0.414 -2.739 +ATOM 14 CB LEU 7 13.492 -1.877 -1.612 +ATOM 15 CA LYS 8 12.122 0.101 -6.422 +ATOM 16 CB LYS 8 11.880 -2.373 -6.949 +ATOM 17 CA ASP 9 10.222 3.321 -5.741 +ATOM 18 CB ASP 9 8.688 2.579 -5.609 +ATOM 19 CA GLY 10 13.217 4.981 -4.094 +ATOM 20 CA GLY 11 14.552 4.308 -0.601 +ATOM 21 CA PRO 12 13.329 4.840 2.958 +ATOM 22 CB PRO 12 14.267 5.706 3.382 +ATOM 23 CA SER 13 11.176 7.972 2.990 +ATOM 24 CB SER 13 11.416 8.758 3.794 +ATOM 25 CA SER 14 13.253 9.521 0.211 +ATOM 26 CB SER 14 14.030 8.723 -0.073 +ATOM 27 CA GLY 15 10.835 8.366 -2.484 +ATOM 28 CA ARG 16 7.484 6.739 -1.732 +ATOM 29 CB ARG 16 6.742 3.865 -2.286 +ATOM 30 CA PRO 17 6.526 5.629 1.774 +ATOM 31 CB PRO 17 5.350 5.302 1.209 +ATOM 32 CA PRO 18 8.394 2.718 3.347 +ATOM 33 CB PRO 18 9.163 3.745 3.753 +ATOM 34 CA PRO 19 6.863 -0.102 5.383 +ATOM 35 CB PRO 19 6.787 -0.845 4.264 +ATOM 36 CA SER 20 10.244 -1.424 6.506 +ATOM 37 CB SER 20 11.005 -1.446 5.645 +TER +CONECT 1 3 2 +CONECT 3 5 4 +CONECT 5 7 6 +CONECT 7 9 8 +CONECT 9 11 10 +CONECT 11 13 12 +CONECT 13 15 14 +CONECT 15 17 16 +CONECT 17 19 18 +CONECT 19 20 +CONECT 20 21 +CONECT 21 23 22 +CONECT 23 25 24 +CONECT 25 27 26 +CONECT 27 28 +CONECT 28 30 29 +CONECT 30 32 31 +CONECT 32 34 33 +CONECT 34 35 +CONECT 36 37 diff --git a/examples/unres/CSA/GAB/CSA/global/unrestrained/CLUSTER/1l2y_csa_GB0000001_041.pdb b/examples/unres/CSA/GAB/CSA/global/unrestrained/CLUSTER/1l2y_csa_GB0000001_041.pdb new file mode 100644 index 0000000..d230b71 --- /dev/null +++ b/examples/unres/CSA/GAB/CSA/global/unrestrained/CLUSTER/1l2y_csa_GB0000001_041.pdb @@ -0,0 +1,59 @@ +REMARK 1l2y ENERGY -8.62300E+01 +ATOM 1 CA ASN 1 3.800 0.000 0.000 +ATOM 2 CB ASN 1 5.450 0.320 0.099 +ATOM 3 CA LEU 2 4.062 -3.791 0.000 +ATOM 4 CB LEU 2 3.801 -5.691 -0.286 +ATOM 5 CA TYR 3 6.206 -3.741 -3.137 +ATOM 6 CB TYR 3 6.191 -5.717 -4.643 +ATOM 7 CA ILE 4 9.399 -3.491 -1.093 +ATOM 8 CB ILE 4 10.134 -1.946 -0.617 +ATOM 9 CA GLN 5 8.150 -6.283 1.162 +ATOM 10 CB GLN 5 7.230 -4.731 2.490 +ATOM 11 CA TRP 6 7.091 -8.261 -1.905 +ATOM 12 CB TRP 6 7.297 -10.186 -3.648 +ATOM 13 CA LEU 7 10.592 -7.927 -3.344 +ATOM 14 CB LEU 7 10.636 -6.424 -4.568 +ATOM 15 CA LYS 8 12.003 -9.727 -0.310 +ATOM 16 CB LYS 8 13.249 -7.680 0.537 +ATOM 17 CA ASP 9 8.945 -11.956 0.032 +ATOM 18 CB ASP 9 7.705 -10.948 0.640 +ATOM 19 CA GLY 10 9.976 -14.144 -2.899 +ATOM 20 CA GLY 11 10.953 -12.536 -6.200 +ATOM 21 CA PRO 12 8.327 -10.939 -8.435 +ATOM 22 CB PRO 12 8.980 -9.765 -8.361 +ATOM 23 CA SER 13 6.742 -14.275 -9.327 +ATOM 24 CB SER 13 7.482 -15.139 -9.499 +ATOM 25 CA SER 14 5.910 -15.233 -5.745 +ATOM 26 CB SER 14 6.419 -15.536 -4.759 +ATOM 27 CA GLY 15 3.786 -12.160 -5.046 +ATOM 28 CA ARG 16 2.925 -8.813 -6.625 +ATOM 29 CB ARG 16 2.452 -6.349 -4.944 +ATOM 30 CA PRO 17 4.657 -6.636 -9.213 +ATOM 31 CB PRO 17 3.394 -6.183 -9.304 +ATOM 32 CA PRO 18 7.905 -4.900 -8.274 +ATOM 33 CB PRO 18 8.310 -5.189 -9.524 +ATOM 34 CA PRO 19 8.166 -1.161 -7.645 +ATOM 35 CB PRO 19 8.306 -1.503 -6.352 +ATOM 36 CA SER 20 11.699 -0.984 -9.032 +ATOM 37 CB SER 20 12.252 -1.961 -8.783 +TER +CONECT 1 3 2 +CONECT 3 5 4 +CONECT 5 7 6 +CONECT 7 9 8 +CONECT 9 11 10 +CONECT 11 13 12 +CONECT 13 15 14 +CONECT 15 17 16 +CONECT 17 19 18 +CONECT 19 20 +CONECT 20 21 +CONECT 21 23 22 +CONECT 23 25 24 +CONECT 25 27 26 +CONECT 27 28 +CONECT 28 30 29 +CONECT 30 32 31 +CONECT 32 34 33 +CONECT 34 35 +CONECT 36 37 diff --git a/examples/unres/CSA/GAB/CSA/global/unrestrained/CLUSTER/1l2y_csa_GB0000001_042.pdb b/examples/unres/CSA/GAB/CSA/global/unrestrained/CLUSTER/1l2y_csa_GB0000001_042.pdb new file mode 100644 index 0000000..bc4952c --- /dev/null +++ b/examples/unres/CSA/GAB/CSA/global/unrestrained/CLUSTER/1l2y_csa_GB0000001_042.pdb @@ -0,0 +1,59 @@ +REMARK 1l2y ENERGY -8.62000E+01 +ATOM 1 CA ASN 1 3.800 0.000 0.000 +ATOM 2 CB ASN 1 5.423 0.420 0.162 +ATOM 3 CA LEU 2 4.057 -3.791 0.000 +ATOM 4 CB LEU 2 3.917 -5.660 -0.498 +ATOM 5 CA TYR 3 6.005 -3.746 -3.263 +ATOM 6 CB TYR 3 5.634 -1.314 -3.608 +ATOM 7 CA ILE 4 9.255 -3.156 -1.384 +ATOM 8 CB ILE 4 9.991 -1.566 -1.094 +ATOM 9 CA GLN 5 8.406 -5.973 1.021 +ATOM 10 CB GLN 5 7.409 -4.428 2.300 +ATOM 11 CA TRP 6 7.225 -8.119 -1.884 +ATOM 12 CB TRP 6 7.157 -10.623 -2.597 +ATOM 13 CA LEU 7 10.297 -7.176 -3.912 +ATOM 14 CB LEU 7 9.243 -6.021 -5.058 +ATOM 15 CA LYS 8 12.523 -8.188 -1.003 +ATOM 16 CB LYS 8 12.848 -5.871 -0.011 +ATOM 17 CA ASP 9 10.788 -11.565 -0.837 +ATOM 18 CB ASP 9 9.738 -11.517 0.510 +ATOM 19 CA GLY 10 10.801 -11.911 -4.622 +ATOM 20 CA GLY 11 9.811 -15.579 -4.716 +ATOM 21 CA PRO 12 6.673 -17.610 -5.397 +ATOM 22 CB PRO 12 7.451 -18.703 -5.303 +ATOM 23 CA SER 13 3.762 -17.884 -2.969 +ATOM 24 CB SER 13 3.389 -16.980 -3.574 +ATOM 25 CA SER 14 5.921 -19.942 -0.614 +ATOM 26 CB SER 14 6.863 -20.355 -1.128 +ATOM 27 CA GLY 15 7.524 -16.834 0.873 +ATOM 28 CA ARG 16 5.641 -13.605 0.190 +ATOM 29 CB ARG 16 5.746 -10.715 1.061 +ATOM 30 CA PRO 17 3.384 -12.864 -2.775 +ATOM 31 CB PRO 17 2.903 -11.914 -1.954 +ATOM 32 CA PRO 18 4.927 -11.738 -6.060 +ATOM 33 CB PRO 18 4.822 -13.054 -6.315 +ATOM 34 CA PRO 19 4.167 -8.180 -7.158 +ATOM 35 CB PRO 19 4.634 -7.783 -5.962 +ATOM 36 CA SER 20 3.528 -7.774 -10.882 +ATOM 37 CB SER 20 2.540 -7.225 -11.095 +TER +CONECT 1 3 2 +CONECT 3 5 4 +CONECT 5 7 6 +CONECT 7 9 8 +CONECT 9 11 10 +CONECT 11 13 12 +CONECT 13 15 14 +CONECT 15 17 16 +CONECT 17 19 18 +CONECT 19 20 +CONECT 20 21 +CONECT 21 23 22 +CONECT 23 25 24 +CONECT 25 27 26 +CONECT 27 28 +CONECT 28 30 29 +CONECT 30 32 31 +CONECT 32 34 33 +CONECT 34 35 +CONECT 36 37 diff --git a/examples/unres/CSA/GAB/CSA/global/unrestrained/CLUSTER/1l2y_csa_GB0000001_043.pdb b/examples/unres/CSA/GAB/CSA/global/unrestrained/CLUSTER/1l2y_csa_GB0000001_043.pdb new file mode 100644 index 0000000..dd899e0 --- /dev/null +++ b/examples/unres/CSA/GAB/CSA/global/unrestrained/CLUSTER/1l2y_csa_GB0000001_043.pdb @@ -0,0 +1,59 @@ +REMARK 1l2y ENERGY -8.61200E+01 +ATOM 1 CA ASN 1 3.800 0.000 0.000 +ATOM 2 CB ASN 1 5.431 0.397 0.130 +ATOM 3 CA LEU 2 4.058 -3.791 0.000 +ATOM 4 CB LEU 2 3.951 -5.682 -0.416 +ATOM 5 CA TYR 3 6.132 -3.733 -3.184 +ATOM 6 CB TYR 3 5.791 -1.311 -3.616 +ATOM 7 CA ILE 4 9.318 -3.268 -1.165 +ATOM 8 CB ILE 4 10.085 -1.701 -0.836 +ATOM 9 CA GLN 5 8.243 -6.075 1.161 +ATOM 10 CB GLN 5 7.242 -4.641 2.560 +ATOM 11 CA TRP 6 7.219 -8.189 -1.826 +ATOM 12 CB TRP 6 7.226 -10.787 -2.017 +ATOM 13 CA LEU 7 10.437 -7.336 -3.658 +ATOM 14 CB LEU 7 9.389 -6.186 -4.815 +ATOM 15 CA LYS 8 12.482 -8.016 -0.529 +ATOM 16 CB LYS 8 13.070 -5.638 0.146 +ATOM 17 CA ASP 9 10.505 -11.174 0.220 +ATOM 18 CB ASP 9 9.378 -10.586 1.363 +ATOM 19 CA GLY 10 10.867 -12.483 -3.329 +ATOM 20 CA GLY 11 8.342 -14.378 -5.443 +ATOM 21 CA PRO 12 8.038 -17.889 -4.021 +ATOM 22 CB PRO 12 8.449 -18.463 -5.166 +ATOM 23 CA SER 13 11.288 -17.518 -2.088 +ATOM 24 CB SER 13 11.855 -16.556 -2.364 +ATOM 25 CA SER 14 9.462 -15.960 0.859 +ATOM 26 CB SER 14 9.229 -14.853 0.654 +ATOM 27 CA GLY 15 5.985 -16.989 -0.280 +ATOM 28 CA ARG 16 4.555 -13.471 -0.147 +ATOM 29 CB ARG 16 5.088 -10.805 1.168 +ATOM 30 CA PRO 17 1.916 -12.014 -2.461 +ATOM 31 CB PRO 17 1.704 -11.237 -1.384 +ATOM 32 CA PRO 18 3.061 -10.663 -5.823 +ATOM 33 CB PRO 18 2.046 -11.409 -6.296 +ATOM 34 CA PRO 19 3.041 -6.911 -6.422 +ATOM 35 CB PRO 19 4.037 -6.981 -5.520 +ATOM 36 CA SER 20 1.883 -5.732 -9.843 +ATOM 37 CB SER 20 1.046 -4.948 -9.767 +TER +CONECT 1 3 2 +CONECT 3 5 4 +CONECT 5 7 6 +CONECT 7 9 8 +CONECT 9 11 10 +CONECT 11 13 12 +CONECT 13 15 14 +CONECT 15 17 16 +CONECT 17 19 18 +CONECT 19 20 +CONECT 20 21 +CONECT 21 23 22 +CONECT 23 25 24 +CONECT 25 27 26 +CONECT 27 28 +CONECT 28 30 29 +CONECT 30 32 31 +CONECT 32 34 33 +CONECT 34 35 +CONECT 36 37 diff --git a/examples/unres/CSA/GAB/CSA/global/unrestrained/CLUSTER/1l2y_csa_GB0000001_044.pdb b/examples/unres/CSA/GAB/CSA/global/unrestrained/CLUSTER/1l2y_csa_GB0000001_044.pdb new file mode 100644 index 0000000..2fd0b55 --- /dev/null +++ b/examples/unres/CSA/GAB/CSA/global/unrestrained/CLUSTER/1l2y_csa_GB0000001_044.pdb @@ -0,0 +1,59 @@ +REMARK 1l2y ENERGY -8.60300E+01 +ATOM 1 CA ASN 1 3.800 0.000 0.000 +ATOM 2 CB ASN 1 5.426 0.424 0.102 +ATOM 3 CA LEU 2 4.060 -3.791 0.000 +ATOM 4 CB LEU 2 3.409 -5.617 0.040 +ATOM 5 CA TYR 3 6.439 -4.795 -2.788 +ATOM 6 CB TYR 3 7.866 -3.141 -1.604 +ATOM 7 CA ILE 4 6.589 -8.583 -3.048 +ATOM 8 CB ILE 4 5.078 -9.504 -3.194 +ATOM 9 CA GLN 5 9.641 -8.321 -5.297 +ATOM 10 CB GLN 5 8.950 -7.027 -6.990 +ATOM 11 CA TRP 6 11.334 -6.167 -2.664 +ATOM 12 CB TRP 6 12.080 -4.031 -1.373 +ATOM 13 CA LEU 7 10.105 -8.473 0.095 +ATOM 14 CB LEU 7 8.868 -7.164 0.812 +ATOM 15 CA LYS 8 11.794 -11.422 -1.606 +ATOM 16 CB LYS 8 10.351 -11.123 -3.676 +ATOM 17 CA ASP 9 14.832 -9.315 -2.484 +ATOM 18 CB ASP 9 14.097 -8.499 -3.793 +ATOM 19 CA GLY 10 16.002 -9.389 1.130 +ATOM 20 CA GLY 11 13.246 -8.113 3.414 +ATOM 21 CA PRO 12 13.249 -4.390 2.653 +ATOM 22 CB PRO 12 12.018 -4.185 3.154 +ATOM 23 CA SER 13 16.900 -4.408 1.600 +ATOM 24 CB SER 13 17.417 -5.433 1.675 +ATOM 25 CA SER 14 16.051 -4.447 -2.103 +ATOM 26 CB SER 14 15.632 -5.438 -1.696 +ATOM 27 CA GLY 15 16.296 -1.367 -4.315 +ATOM 28 CA ARG 16 12.866 0.021 -3.451 +ATOM 29 CB ARG 16 10.850 -2.067 -4.288 +ATOM 30 CA PRO 17 11.914 1.856 -0.262 +ATOM 31 CB PRO 17 11.018 2.376 -1.119 +ATOM 32 CA PRO 18 11.200 -0.135 2.895 +ATOM 33 CB PRO 18 12.034 0.746 3.476 +ATOM 34 CA PRO 19 7.687 -0.292 4.335 +ATOM 35 CB PRO 19 7.581 -1.272 3.420 +ATOM 36 CA SER 20 7.311 0.011 8.104 +ATOM 37 CB SER 20 6.573 0.844 8.392 +TER +CONECT 1 3 2 +CONECT 3 5 4 +CONECT 5 7 6 +CONECT 7 9 8 +CONECT 9 11 10 +CONECT 11 13 12 +CONECT 13 15 14 +CONECT 15 17 16 +CONECT 17 19 18 +CONECT 19 20 +CONECT 20 21 +CONECT 21 23 22 +CONECT 23 25 24 +CONECT 25 27 26 +CONECT 27 28 +CONECT 28 30 29 +CONECT 30 32 31 +CONECT 32 34 33 +CONECT 34 35 +CONECT 36 37 diff --git a/examples/unres/CSA/GAB/CSA/global/unrestrained/CLUSTER/1l2y_csa_GB0000001_045.pdb b/examples/unres/CSA/GAB/CSA/global/unrestrained/CLUSTER/1l2y_csa_GB0000001_045.pdb new file mode 100644 index 0000000..2e3ecd6 --- /dev/null +++ b/examples/unres/CSA/GAB/CSA/global/unrestrained/CLUSTER/1l2y_csa_GB0000001_045.pdb @@ -0,0 +1,59 @@ +REMARK 1l2y ENERGY -8.59800E+01 +ATOM 1 CA ASN 1 3.800 0.000 0.000 +ATOM 2 CB ASN 1 5.428 0.408 0.138 +ATOM 3 CA LEU 2 4.058 -3.791 0.000 +ATOM 4 CB LEU 2 3.772 -5.651 -0.470 +ATOM 5 CA TYR 3 6.120 -3.740 -3.191 +ATOM 6 CB TYR 3 5.913 -1.298 -3.596 +ATOM 7 CA ILE 4 9.339 -3.330 -1.213 +ATOM 8 CB ILE 4 10.055 -1.745 -0.852 +ATOM 9 CA GLN 5 8.272 -6.116 1.141 +ATOM 10 CB GLN 5 7.268 -4.563 2.405 +ATOM 11 CA TRP 6 6.985 -8.156 -1.796 +ATOM 12 CB TRP 6 6.348 -10.632 -2.293 +ATOM 13 CA LEU 7 10.179 -7.478 -3.740 +ATOM 14 CB LEU 7 9.135 -6.360 -4.931 +ATOM 15 CA LYS 8 12.243 -8.431 -0.695 +ATOM 16 CB LYS 8 12.768 -6.099 0.166 +ATOM 17 CA ASP 9 10.260 -11.647 -0.290 +ATOM 18 CB ASP 9 8.973 -11.407 0.808 +ATOM 19 CA GLY 10 10.249 -12.312 -4.032 +ATOM 20 CA GLY 11 7.141 -12.109 -6.209 +ATOM 21 CA PRO 12 5.191 -15.358 -5.929 +ATOM 22 CB PRO 12 5.025 -15.344 -7.264 +ATOM 23 CA SER 13 8.333 -17.268 -4.969 +ATOM 24 CB SER 13 9.254 -16.586 -5.059 +ATOM 25 CA SER 14 7.877 -16.487 -1.278 +ATOM 26 CB SER 14 7.923 -15.366 -1.026 +ATOM 27 CA GLY 15 4.105 -16.942 -1.340 +ATOM 28 CA ARG 16 3.295 -13.483 0.009 +ATOM 29 CB ARG 16 4.555 -10.932 1.020 +ATOM 30 CA PRO 17 1.070 -11.032 -1.856 +ATOM 31 CB PRO 17 0.835 -10.586 -0.610 +ATOM 32 CA PRO 18 2.687 -8.874 -4.533 +ATOM 33 CB PRO 18 3.075 -10.088 -4.965 +ATOM 34 CA PRO 19 1.004 -5.700 -5.769 +ATOM 35 CB PRO 19 1.770 -4.904 -5.001 +ATOM 36 CA SER 20 3.290 -5.375 -8.787 +ATOM 37 CB SER 20 4.402 -5.494 -8.518 +TER +CONECT 1 3 2 +CONECT 3 5 4 +CONECT 5 7 6 +CONECT 7 9 8 +CONECT 9 11 10 +CONECT 11 13 12 +CONECT 13 15 14 +CONECT 15 17 16 +CONECT 17 19 18 +CONECT 19 20 +CONECT 20 21 +CONECT 21 23 22 +CONECT 23 25 24 +CONECT 25 27 26 +CONECT 27 28 +CONECT 28 30 29 +CONECT 30 32 31 +CONECT 32 34 33 +CONECT 34 35 +CONECT 36 37 diff --git a/examples/unres/CSA/GAB/CSA/global/unrestrained/CLUSTER/1l2y_csa_GB0000001_046.pdb b/examples/unres/CSA/GAB/CSA/global/unrestrained/CLUSTER/1l2y_csa_GB0000001_046.pdb new file mode 100644 index 0000000..505e609 --- /dev/null +++ b/examples/unres/CSA/GAB/CSA/global/unrestrained/CLUSTER/1l2y_csa_GB0000001_046.pdb @@ -0,0 +1,59 @@ +REMARK 1l2y ENERGY -8.59400E+01 +ATOM 1 CA ASN 1 3.800 0.000 0.000 +ATOM 2 CB ASN 1 5.415 0.429 0.210 +ATOM 3 CA LEU 2 4.055 -3.791 0.000 +ATOM 4 CB LEU 2 3.672 -5.685 -0.169 +ATOM 5 CA TYR 3 5.335 -3.815 -3.578 +ATOM 6 CB TYR 3 4.036 -4.206 -5.658 +ATOM 7 CA ILE 4 8.912 -3.096 -2.517 +ATOM 8 CB ILE 4 9.483 -1.460 -2.127 +ATOM 9 CA GLN 5 8.525 -5.331 0.531 +ATOM 10 CB GLN 5 7.659 -3.512 1.510 +ATOM 11 CA TRP 6 7.294 -8.137 -1.716 +ATOM 12 CB TRP 6 5.839 -7.956 -3.869 +ATOM 13 CA LEU 7 10.208 -7.484 -4.065 +ATOM 14 CB LEU 7 9.524 -7.085 -5.836 +ATOM 15 CA LYS 8 12.628 -7.894 -1.164 +ATOM 16 CB LYS 8 13.016 -5.389 -0.987 +ATOM 17 CA ASP 9 10.774 -10.923 0.188 +ATOM 18 CB ASP 9 9.507 -10.506 1.257 +ATOM 19 CA GLY 10 11.853 -13.052 -2.768 +ATOM 20 CA GLY 11 10.637 -11.487 -6.010 +ATOM 21 CA PRO 12 6.874 -11.967 -5.787 +ATOM 22 CB PRO 12 6.693 -11.097 -6.797 +ATOM 23 CA SER 13 7.187 -15.015 -3.539 +ATOM 24 CB SER 13 8.260 -15.258 -3.204 +ATOM 25 CA SER 14 6.144 -13.139 -0.403 +ATOM 26 CB SER 14 6.228 -11.997 -0.502 +ATOM 27 CA GLY 15 2.437 -13.235 -1.234 +ATOM 28 CA ARG 16 2.573 -9.977 -3.185 +ATOM 29 CB ARG 16 2.806 -10.902 -6.050 +ATOM 30 CA PRO 17 0.596 -7.936 -5.708 +ATOM 31 CB PRO 17 0.911 -7.021 -4.774 +ATOM 32 CA PRO 18 1.531 -8.586 -9.333 +ATOM 33 CB PRO 18 0.232 -8.391 -9.625 +ATOM 34 CA PRO 19 3.684 -6.106 -11.245 +ATOM 35 CB PRO 19 4.570 -6.518 -10.321 +ATOM 36 CA SER 20 2.784 -5.514 -14.889 +ATOM 37 CB SER 20 2.626 -4.397 -15.116 +TER +CONECT 1 3 2 +CONECT 3 5 4 +CONECT 5 7 6 +CONECT 7 9 8 +CONECT 9 11 10 +CONECT 11 13 12 +CONECT 13 15 14 +CONECT 15 17 16 +CONECT 17 19 18 +CONECT 19 20 +CONECT 20 21 +CONECT 21 23 22 +CONECT 23 25 24 +CONECT 25 27 26 +CONECT 27 28 +CONECT 28 30 29 +CONECT 30 32 31 +CONECT 32 34 33 +CONECT 34 35 +CONECT 36 37 diff --git a/examples/unres/CSA/GAB/CSA/global/unrestrained/CLUSTER/1l2y_csa_GB0000001_047.pdb b/examples/unres/CSA/GAB/CSA/global/unrestrained/CLUSTER/1l2y_csa_GB0000001_047.pdb new file mode 100644 index 0000000..b1dfaf1 --- /dev/null +++ b/examples/unres/CSA/GAB/CSA/global/unrestrained/CLUSTER/1l2y_csa_GB0000001_047.pdb @@ -0,0 +1,59 @@ +REMARK 1l2y ENERGY -8.57400E+01 +ATOM 1 CA ASN 1 3.800 0.000 0.000 +ATOM 2 CB ASN 1 5.439 0.345 0.172 +ATOM 3 CA LEU 2 4.061 -3.791 0.000 +ATOM 4 CB LEU 2 3.315 -5.564 0.244 +ATOM 5 CA TYR 3 6.178 -4.941 -2.939 +ATOM 6 CB TYR 3 8.582 -4.621 -2.403 +ATOM 7 CA ILE 4 7.165 -8.606 -3.110 +ATOM 8 CB ILE 4 5.753 -9.437 -2.422 +ATOM 9 CA GLN 5 8.333 -8.175 -6.700 +ATOM 10 CB GLN 5 6.235 -7.917 -7.440 +ATOM 11 CA TRP 6 11.165 -5.942 -5.501 +ATOM 12 CB TRP 6 13.365 -5.135 -4.363 +ATOM 13 CA LEU 7 12.384 -8.733 -3.229 +ATOM 14 CB LEU 7 11.641 -8.507 -1.453 +ATOM 15 CA LYS 8 13.020 -10.950 -6.250 +ATOM 16 CB LYS 8 11.410 -12.772 -5.512 +ATOM 17 CA ASP 9 13.673 -7.992 -8.545 +ATOM 18 CB ASP 9 12.172 -7.214 -8.797 +ATOM 19 CA GLY 10 16.932 -7.113 -6.800 +ATOM 20 CA GLY 11 17.587 -7.239 -3.059 +ATOM 21 CA PRO 12 17.303 -5.175 0.119 +ATOM 22 CB PRO 12 18.614 -5.239 0.411 +ATOM 23 CA SER 13 17.594 -1.517 -0.869 +ATOM 24 CB SER 13 16.672 -1.462 -0.185 +ATOM 25 CA SER 14 19.479 -2.411 -4.046 +ATOM 26 CB SER 14 19.554 -3.555 -4.142 +ATOM 27 CA GLY 15 16.289 -2.257 -6.105 +ATOM 28 CA ARG 16 13.159 -1.341 -4.155 +ATOM 29 CB ARG 16 10.454 -2.308 -5.089 +ATOM 30 CA PRO 17 12.419 -1.361 -0.428 +ATOM 31 CB PRO 17 11.305 -0.705 -0.800 +ATOM 32 CA PRO 18 11.875 -4.674 1.352 +ATOM 33 CB PRO 18 13.144 -4.416 1.713 +ATOM 34 CA PRO 19 8.527 -5.408 2.993 +ATOM 35 CB PRO 19 8.000 -5.948 1.880 +ATOM 36 CA SER 20 9.885 -8.352 4.975 +ATOM 37 CB SER 20 10.588 -9.024 4.360 +TER +CONECT 1 3 2 +CONECT 3 5 4 +CONECT 5 7 6 +CONECT 7 9 8 +CONECT 9 11 10 +CONECT 11 13 12 +CONECT 13 15 14 +CONECT 15 17 16 +CONECT 17 19 18 +CONECT 19 20 +CONECT 20 21 +CONECT 21 23 22 +CONECT 23 25 24 +CONECT 25 27 26 +CONECT 27 28 +CONECT 28 30 29 +CONECT 30 32 31 +CONECT 32 34 33 +CONECT 34 35 +CONECT 36 37 diff --git a/examples/unres/CSA/GAB/CSA/global/unrestrained/CLUSTER/1l2y_csa_GB0000001_048.pdb b/examples/unres/CSA/GAB/CSA/global/unrestrained/CLUSTER/1l2y_csa_GB0000001_048.pdb new file mode 100644 index 0000000..ba77f3e --- /dev/null +++ b/examples/unres/CSA/GAB/CSA/global/unrestrained/CLUSTER/1l2y_csa_GB0000001_048.pdb @@ -0,0 +1,59 @@ +REMARK 1l2y ENERGY -8.56000E+01 +ATOM 1 CA ASN 1 3.800 0.000 0.000 +ATOM 2 CB ASN 1 5.402 0.484 0.188 +ATOM 3 CA LEU 2 4.056 -3.791 0.000 +ATOM 4 CB LEU 2 3.332 -5.509 0.534 +ATOM 5 CA TYR 3 6.219 -5.270 -2.752 +ATOM 6 CB TYR 3 5.640 -4.146 -4.891 +ATOM 7 CA ILE 4 5.696 -8.819 -1.498 +ATOM 8 CB ILE 4 6.393 -9.515 -0.020 +ATOM 9 CA GLN 5 2.109 -8.734 -2.749 +ATOM 10 CB GLN 5 0.429 -7.268 -2.535 +ATOM 11 CA TRP 6 3.272 -6.896 -5.865 +ATOM 12 CB TRP 6 3.189 -6.934 -8.468 +ATOM 13 CA LEU 7 5.947 -9.537 -6.422 +ATOM 14 CB LEU 7 7.559 -8.663 -5.792 +ATOM 15 CA LYS 8 3.316 -12.269 -6.192 +ATOM 16 CB LYS 8 4.023 -12.851 -3.822 +ATOM 17 CA ASP 9 0.918 -10.330 -8.412 +ATOM 18 CB ASP 9 0.095 -9.240 -7.385 +ATOM 19 CA GLY 10 3.281 -10.557 -11.379 +ATOM 20 CA GLY 11 6.510 -8.581 -11.050 +ATOM 21 CA PRO 12 6.197 -4.892 -10.192 +ATOM 22 CB PRO 12 7.217 -5.010 -9.324 +ATOM 23 CA SER 13 3.767 -3.348 -12.673 +ATOM 24 CB SER 13 3.267 -4.031 -13.451 +ATOM 25 CA SER 14 0.980 -3.160 -10.097 +ATOM 26 CB SER 14 1.453 -3.392 -9.074 +ATOM 27 CA GLY 15 -0.662 0.015 -8.808 +ATOM 28 CA ARG 16 1.766 0.435 -5.915 +ATOM 29 CB ARG 16 2.157 -2.215 -4.520 +ATOM 30 CA PRO 17 5.406 1.419 -6.382 +ATOM 31 CB PRO 17 5.338 1.596 -5.050 +ATOM 32 CA PRO 18 7.912 -1.141 -7.648 +ATOM 33 CB PRO 18 7.910 -0.322 -8.715 +ATOM 34 CA PRO 19 10.907 -2.130 -5.528 +ATOM 35 CB PRO 19 10.213 -3.188 -5.073 +ATOM 36 CA SER 20 12.791 -3.627 -8.469 +ATOM 37 CB SER 20 12.122 -4.322 -9.095 +TER +CONECT 1 3 2 +CONECT 3 5 4 +CONECT 5 7 6 +CONECT 7 9 8 +CONECT 9 11 10 +CONECT 11 13 12 +CONECT 13 15 14 +CONECT 15 17 16 +CONECT 17 19 18 +CONECT 19 20 +CONECT 20 21 +CONECT 21 23 22 +CONECT 23 25 24 +CONECT 25 27 26 +CONECT 27 28 +CONECT 28 30 29 +CONECT 30 32 31 +CONECT 32 34 33 +CONECT 34 35 +CONECT 36 37 diff --git a/examples/unres/CSA/GAB/CSA/global/unrestrained/CLUSTER/1l2y_csa_GB0000001_049.pdb b/examples/unres/CSA/GAB/CSA/global/unrestrained/CLUSTER/1l2y_csa_GB0000001_049.pdb new file mode 100644 index 0000000..897c6e5 --- /dev/null +++ b/examples/unres/CSA/GAB/CSA/global/unrestrained/CLUSTER/1l2y_csa_GB0000001_049.pdb @@ -0,0 +1,59 @@ +REMARK 1l2y ENERGY -8.55100E+01 +ATOM 1 CA ASN 1 3.800 0.000 0.000 +ATOM 2 CB ASN 1 5.417 0.380 0.278 +ATOM 3 CA LEU 2 4.058 -3.791 0.000 +ATOM 4 CB LEU 2 3.355 -5.283 1.019 +ATOM 5 CA TYR 3 5.957 -5.688 -2.690 +ATOM 6 CB TYR 3 6.075 -4.833 -5.020 +ATOM 7 CA ILE 4 5.278 -9.063 -1.081 +ATOM 8 CB ILE 4 5.814 -9.536 0.544 +ATOM 9 CA GLN 5 1.716 -9.056 -2.406 +ATOM 10 CB GLN 5 0.268 -7.754 -1.299 +ATOM 11 CA TRP 6 3.001 -7.861 -5.777 +ATOM 12 CB TRP 6 3.243 -7.820 -8.370 +ATOM 13 CA LEU 7 5.729 -10.506 -5.720 +ATOM 14 CB LEU 7 7.199 -9.242 -5.776 +ATOM 15 CA LYS 8 3.116 -13.214 -5.190 +ATOM 16 CB LYS 8 3.799 -13.536 -2.763 +ATOM 17 CA ASP 9 0.630 -11.456 -7.463 +ATOM 18 CB ASP 9 -0.023 -10.146 -6.581 +ATOM 19 CA GLY 10 2.978 -11.648 -10.445 +ATOM 20 CA GLY 11 6.407 -10.013 -10.519 +ATOM 21 CA PRO 12 6.807 -6.283 -9.914 +ATOM 22 CB PRO 12 7.039 -5.905 -11.184 +ATOM 23 CA SER 13 3.550 -4.367 -10.314 +ATOM 24 CB SER 13 3.154 -4.013 -9.294 +ATOM 25 CA SER 14 3.033 -0.921 -11.831 +ATOM 26 CB SER 14 2.449 -0.871 -12.820 +ATOM 27 CA GLY 15 0.187 -0.022 -9.478 +ATOM 28 CA ARG 16 1.712 -1.640 -6.396 +ATOM 29 CB ARG 16 2.271 -3.898 -4.471 +ATOM 30 CA PRO 17 5.041 -0.060 -5.467 +ATOM 31 CB PRO 17 4.886 -0.775 -4.339 +ATOM 32 CA PRO 18 8.039 -0.787 -7.685 +ATOM 33 CB PRO 18 8.131 0.555 -7.714 +ATOM 34 CA PRO 19 10.846 -2.980 -6.360 +ATOM 35 CB PRO 19 10.237 -3.972 -7.034 +ATOM 36 CA SER 20 13.544 -0.924 -8.072 +ATOM 37 CB SER 20 13.186 -0.383 -9.022 +TER +CONECT 1 3 2 +CONECT 3 5 4 +CONECT 5 7 6 +CONECT 7 9 8 +CONECT 9 11 10 +CONECT 11 13 12 +CONECT 13 15 14 +CONECT 15 17 16 +CONECT 17 19 18 +CONECT 19 20 +CONECT 20 21 +CONECT 21 23 22 +CONECT 23 25 24 +CONECT 25 27 26 +CONECT 27 28 +CONECT 28 30 29 +CONECT 30 32 31 +CONECT 32 34 33 +CONECT 34 35 +CONECT 36 37 diff --git a/examples/unres/CSA/GAB/CSA/global/unrestrained/CLUSTER/1l2y_csa_GB0000001_050.pdb b/examples/unres/CSA/GAB/CSA/global/unrestrained/CLUSTER/1l2y_csa_GB0000001_050.pdb new file mode 100644 index 0000000..37e38e7 --- /dev/null +++ b/examples/unres/CSA/GAB/CSA/global/unrestrained/CLUSTER/1l2y_csa_GB0000001_050.pdb @@ -0,0 +1,59 @@ +REMARK 1l2y ENERGY -8.53600E+01 +ATOM 1 CA ASN 1 3.800 0.000 0.000 +ATOM 2 CB ASN 1 5.177 0.821 0.515 +ATOM 3 CA LEU 2 5.512 -3.392 0.000 +ATOM 4 CB LEU 2 6.620 -4.969 0.214 +ATOM 5 CA TYR 3 5.206 -3.650 3.779 +ATOM 6 CB TYR 3 4.624 -1.255 4.089 +ATOM 7 CA ILE 4 1.654 -4.966 3.470 +ATOM 8 CB ILE 4 0.164 -4.015 3.637 +ATOM 9 CA GLN 5 2.809 -7.414 0.803 +ATOM 10 CB GLN 5 2.344 -5.996 -0.867 +ATOM 11 CA TRP 6 5.828 -8.317 2.927 +ATOM 12 CB TRP 6 7.014 -10.614 3.249 +ATOM 13 CA LEU 7 3.646 -8.671 6.018 +ATOM 14 CB LEU 7 4.324 -6.963 6.639 +ATOM 15 CA LYS 8 1.186 -10.840 4.099 +ATOM 16 CB LYS 8 -0.654 -9.103 3.865 +ATOM 17 CA ASP 9 4.002 -12.800 2.465 +ATOM 18 CB ASP 9 4.198 -12.027 0.954 +ATOM 19 CA GLY 10 5.528 -13.792 5.801 +ATOM 20 CA GLY 11 8.642 -15.725 6.805 +ATOM 21 CA PRO 12 8.322 -19.412 5.946 +ATOM 22 CB PRO 12 8.215 -19.768 7.239 +ATOM 23 CA SER 13 4.699 -18.927 4.911 +ATOM 24 CB SER 13 4.246 -17.976 5.372 +ATOM 25 CA SER 14 5.825 -17.118 1.765 +ATOM 26 CB SER 14 5.859 -15.986 1.965 +ATOM 27 CA GLY 15 9.624 -17.017 1.783 +ATOM 28 CA ARG 16 9.846 -13.366 0.755 +ATOM 29 CB ARG 16 8.165 -11.109 -0.342 +ATOM 30 CA PRO 17 11.689 -10.866 2.945 +ATOM 31 CB PRO 17 11.077 -9.769 2.465 +ATOM 32 CA PRO 18 9.922 -9.981 6.190 +ATOM 33 CB PRO 18 10.315 -11.217 6.548 +ATOM 34 CA PRO 19 9.932 -6.190 6.452 +ATOM 35 CB PRO 19 9.015 -6.108 5.471 +ATOM 36 CA SER 20 8.530 -6.210 9.984 +ATOM 37 CB SER 20 7.584 -6.855 10.093 +TER +CONECT 1 3 2 +CONECT 3 5 4 +CONECT 5 7 6 +CONECT 7 9 8 +CONECT 9 11 10 +CONECT 11 13 12 +CONECT 13 15 14 +CONECT 15 17 16 +CONECT 17 19 18 +CONECT 19 20 +CONECT 20 21 +CONECT 21 23 22 +CONECT 23 25 24 +CONECT 25 27 26 +CONECT 27 28 +CONECT 28 30 29 +CONECT 30 32 31 +CONECT 32 34 33 +CONECT 34 35 +CONECT 36 37 diff --git a/examples/unres/CSA/GAB/CSA/global/unrestrained/CLUSTER/1l2y_csa_GB0000001_051.pdb b/examples/unres/CSA/GAB/CSA/global/unrestrained/CLUSTER/1l2y_csa_GB0000001_051.pdb new file mode 100644 index 0000000..b0e0366 --- /dev/null +++ b/examples/unres/CSA/GAB/CSA/global/unrestrained/CLUSTER/1l2y_csa_GB0000001_051.pdb @@ -0,0 +1,59 @@ +REMARK 1l2y ENERGY -8.53500E+01 +ATOM 1 CA ASN 1 3.800 0.000 0.000 +ATOM 2 CB ASN 1 4.409 0.134 1.564 +ATOM 3 CA LEU 2 5.692 -3.295 0.000 +ATOM 4 CB LEU 2 6.924 -4.485 -0.909 +ATOM 5 CA TYR 3 7.212 -4.199 3.364 +ATOM 6 CB TYR 3 5.903 -2.832 4.973 +ATOM 7 CA ILE 4 10.727 -3.645 2.029 +ATOM 8 CB ILE 4 11.584 -4.812 1.002 +ATOM 9 CA GLN 5 9.900 0.000 1.340 +ATOM 10 CB GLN 5 8.946 -0.329 -0.659 +ATOM 11 CA TRP 6 8.162 0.252 4.710 +ATOM 12 CB TRP 6 7.145 1.226 6.902 +ATOM 13 CA LEU 7 11.106 -1.435 6.421 +ATOM 14 CB LEU 7 10.243 -3.138 6.758 +ATOM 15 CA LYS 8 13.530 0.846 4.587 +ATOM 16 CB LYS 8 14.335 -0.824 2.849 +ATOM 17 CA ASP 9 11.392 3.899 5.326 +ATOM 18 CB ASP 9 10.231 3.628 4.102 +ATOM 19 CA GLY 10 12.108 3.635 9.049 +ATOM 20 CA GLY 11 10.285 1.165 11.288 +ATOM 21 CA PRO 12 7.055 2.225 12.986 +ATOM 22 CB PRO 12 6.655 0.942 13.048 +ATOM 23 CA SER 13 8.339 5.737 13.661 +ATOM 24 CB SER 13 9.485 5.827 13.715 +ATOM 25 CA SER 14 8.041 6.760 10.014 +ATOM 26 CB SER 14 8.064 5.779 9.414 +ATOM 27 CA GLY 15 5.134 8.424 8.221 +ATOM 28 CA ARG 16 4.017 5.271 6.418 +ATOM 29 CB ARG 16 5.509 3.738 4.286 +ATOM 30 CA PRO 17 2.067 2.258 7.665 +ATOM 31 CB PRO 17 2.238 1.856 6.393 +ATOM 32 CA PRO 18 3.638 0.161 10.417 +ATOM 33 CB PRO 18 2.438 0.332 10.999 +ATOM 34 CA PRO 19 5.107 -3.272 9.713 +ATOM 35 CB PRO 19 6.253 -2.567 9.713 +ATOM 36 CA SER 20 4.016 -4.658 13.079 +ATOM 37 CB SER 20 4.104 -3.869 13.911 +TER +CONECT 1 3 2 +CONECT 3 5 4 +CONECT 5 7 6 +CONECT 7 9 8 +CONECT 9 11 10 +CONECT 11 13 12 +CONECT 13 15 14 +CONECT 15 17 16 +CONECT 17 19 18 +CONECT 19 20 +CONECT 20 21 +CONECT 21 23 22 +CONECT 23 25 24 +CONECT 25 27 26 +CONECT 27 28 +CONECT 28 30 29 +CONECT 30 32 31 +CONECT 32 34 33 +CONECT 34 35 +CONECT 36 37 diff --git a/examples/unres/CSA/GAB/CSA/global/unrestrained/CLUSTER/1l2y_csa_GB0000001_052.pdb b/examples/unres/CSA/GAB/CSA/global/unrestrained/CLUSTER/1l2y_csa_GB0000001_052.pdb new file mode 100644 index 0000000..1d0d152 --- /dev/null +++ b/examples/unres/CSA/GAB/CSA/global/unrestrained/CLUSTER/1l2y_csa_GB0000001_052.pdb @@ -0,0 +1,59 @@ +REMARK 1l2y ENERGY -8.50800E+01 +ATOM 1 CA ASN 1 3.800 0.000 0.000 +ATOM 2 CB ASN 1 5.443 0.329 0.168 +ATOM 3 CA LEU 2 4.060 -3.791 0.000 +ATOM 4 CB LEU 2 3.862 -5.705 -0.240 +ATOM 5 CA TYR 3 5.973 -3.758 -3.283 +ATOM 6 CB TYR 3 5.283 -5.500 -4.914 +ATOM 7 CA ILE 4 9.282 -3.312 -1.467 +ATOM 8 CB ILE 4 10.002 -1.724 -1.131 +ATOM 9 CA GLN 5 8.291 -5.917 1.116 +ATOM 10 CB GLN 5 7.394 -4.285 2.360 +ATOM 11 CA TRP 6 7.132 -8.252 -1.649 +ATOM 12 CB TRP 6 6.291 -9.486 -3.784 +ATOM 13 CA LEU 7 10.218 -7.452 -3.717 +ATOM 14 CB LEU 7 9.815 -6.298 -5.222 +ATOM 15 CA LYS 8 12.473 -8.730 -0.938 +ATOM 16 CB LYS 8 10.675 -8.427 0.833 +ATOM 17 CA ASP 9 10.796 -12.138 -1.056 +ATOM 18 CB ASP 9 9.169 -11.690 -0.781 +ATOM 19 CA GLY 10 13.614 -13.575 -3.160 +ATOM 20 CA GLY 11 14.958 -10.386 -4.729 +ATOM 21 CA PRO 12 11.954 -9.743 -6.967 +ATOM 22 CB PRO 12 12.791 -9.289 -7.917 +ATOM 23 CA SER 13 10.978 -13.415 -7.001 +ATOM 24 CB SER 13 12.077 -13.743 -6.915 +ATOM 25 CA SER 14 8.070 -12.961 -4.598 +ATOM 26 CB SER 14 8.923 -12.194 -4.520 +ATOM 27 CA GLY 15 4.484 -14.139 -5.036 +ATOM 28 CA ARG 16 2.199 -11.864 -7.048 +ATOM 29 CB ARG 16 2.102 -9.411 -5.289 +ATOM 30 CA PRO 17 4.423 -10.605 -9.860 +ATOM 31 CB PRO 17 3.220 -10.591 -10.460 +ATOM 32 CA PRO 18 7.030 -7.993 -8.953 +ATOM 33 CB PRO 18 7.756 -9.011 -8.455 +ATOM 34 CA PRO 19 6.658 -4.537 -10.489 +ATOM 35 CB PRO 19 6.414 -4.022 -9.270 +ATOM 36 CA SER 20 10.406 -4.177 -11.001 +ATOM 37 CB SER 20 10.990 -4.931 -10.359 +TER +CONECT 1 3 2 +CONECT 3 5 4 +CONECT 5 7 6 +CONECT 7 9 8 +CONECT 9 11 10 +CONECT 11 13 12 +CONECT 13 15 14 +CONECT 15 17 16 +CONECT 17 19 18 +CONECT 19 20 +CONECT 20 21 +CONECT 21 23 22 +CONECT 23 25 24 +CONECT 25 27 26 +CONECT 27 28 +CONECT 28 30 29 +CONECT 30 32 31 +CONECT 32 34 33 +CONECT 34 35 +CONECT 36 37 diff --git a/examples/unres/CSA/GAB/CSA/global/unrestrained/CLUSTER/1l2y_csa_GB0000001_053.pdb b/examples/unres/CSA/GAB/CSA/global/unrestrained/CLUSTER/1l2y_csa_GB0000001_053.pdb new file mode 100644 index 0000000..a8f93ab --- /dev/null +++ b/examples/unres/CSA/GAB/CSA/global/unrestrained/CLUSTER/1l2y_csa_GB0000001_053.pdb @@ -0,0 +1,59 @@ +REMARK 1l2y ENERGY -8.49500E+01 +ATOM 1 CA ASN 1 3.800 0.000 0.000 +ATOM 2 CB ASN 1 5.422 0.386 0.238 +ATOM 3 CA LEU 2 4.058 -3.791 0.000 +ATOM 4 CB LEU 2 3.420 -5.543 0.534 +ATOM 5 CA TYR 3 6.102 -5.092 -2.928 +ATOM 6 CB TYR 3 7.462 -3.124 -2.260 +ATOM 7 CA ILE 4 6.838 -8.781 -3.464 +ATOM 8 CB ILE 4 6.780 -9.580 -5.049 +ATOM 9 CA GLN 5 9.725 -8.605 -0.999 +ATOM 10 CB GLN 5 10.276 -6.441 -1.171 +ATOM 11 CA TRP 6 7.259 -7.887 1.802 +ATOM 12 CB TRP 6 7.707 -5.323 1.687 +ATOM 13 CA LEU 7 4.892 -10.493 0.371 +ATOM 14 CB LEU 7 3.826 -11.133 -1.117 +ATOM 15 CA LYS 8 7.543 -13.170 0.867 +ATOM 16 CB LYS 8 8.114 -13.255 -1.607 +ATOM 17 CA ASP 9 8.292 -11.938 4.383 +ATOM 18 CB ASP 9 8.496 -10.246 4.503 +ATOM 19 CA GLY 10 6.042 -14.591 5.913 +ATOM 20 CA GLY 11 4.109 -15.960 2.942 +ATOM 21 CA PRO 12 1.814 -13.005 2.282 +ATOM 22 CB PRO 12 0.714 -13.746 2.508 +ATOM 23 CA SER 13 2.374 -11.500 5.725 +ATOM 24 CB SER 13 2.807 -12.243 6.488 +ATOM 25 CA SER 14 5.021 -8.797 6.080 +ATOM 26 CB SER 14 5.117 -8.154 5.131 +ATOM 27 CA GLY 15 2.796 -6.425 8.046 +ATOM 28 CA ARG 16 0.943 -5.191 4.967 +ATOM 29 CB ARG 16 3.398 -3.582 4.257 +ATOM 30 CA PRO 17 -1.401 -6.878 2.497 +ATOM 31 CB PRO 17 -1.779 -5.596 2.352 +ATOM 32 CA PRO 18 0.017 -9.113 -0.229 +ATOM 33 CB PRO 18 -0.823 -10.010 0.317 +ATOM 34 CA PRO 19 0.004 -7.887 -3.826 +ATOM 35 CB PRO 19 1.328 -7.747 -3.633 +ATOM 36 CA SER 20 -0.995 -11.286 -5.203 +ATOM 37 CB SER 20 -0.776 -12.142 -4.467 +TER +CONECT 1 3 2 +CONECT 3 5 4 +CONECT 5 7 6 +CONECT 7 9 8 +CONECT 9 11 10 +CONECT 11 13 12 +CONECT 13 15 14 +CONECT 15 17 16 +CONECT 17 19 18 +CONECT 19 20 +CONECT 20 21 +CONECT 21 23 22 +CONECT 23 25 24 +CONECT 25 27 26 +CONECT 27 28 +CONECT 28 30 29 +CONECT 30 32 31 +CONECT 32 34 33 +CONECT 34 35 +CONECT 36 37 diff --git a/examples/unres/CSA/GAB/CSA/global/unrestrained/CLUSTER/1l2y_csa_GB0000001_054.pdb b/examples/unres/CSA/GAB/CSA/global/unrestrained/CLUSTER/1l2y_csa_GB0000001_054.pdb new file mode 100644 index 0000000..41be8da --- /dev/null +++ b/examples/unres/CSA/GAB/CSA/global/unrestrained/CLUSTER/1l2y_csa_GB0000001_054.pdb @@ -0,0 +1,59 @@ +REMARK 1l2y ENERGY -8.44300E+01 +ATOM 1 CA ASN 1 3.800 0.000 0.000 +ATOM 2 CB ASN 1 5.419 0.450 0.110 +ATOM 3 CA LEU 2 4.054 -3.791 0.000 +ATOM 4 CB LEU 2 3.386 -5.609 -0.092 +ATOM 5 CA TYR 3 4.606 -3.956 -3.756 +ATOM 6 CB TYR 3 5.845 -1.808 -3.605 +ATOM 7 CA ILE 4 5.703 -7.425 -4.852 +ATOM 8 CB ILE 4 5.471 -8.744 -3.685 +ATOM 9 CA GLN 5 6.083 -8.548 -8.462 +ATOM 10 CB GLN 5 6.432 -6.541 -9.394 +ATOM 11 CA TRP 6 7.888 -11.722 -7.408 +ATOM 12 CB TRP 6 8.538 -11.439 -4.902 +ATOM 13 CA LEU 7 4.690 -13.264 -6.054 +ATOM 14 CB LEU 7 3.072 -12.233 -5.774 +ATOM 15 CA LYS 8 5.167 -16.347 -8.224 +ATOM 16 CB LYS 8 5.453 -14.518 -9.965 +ATOM 17 CA ASP 9 7.957 -17.581 -5.958 +ATOM 18 CB ASP 9 8.723 -16.087 -5.644 +ATOM 19 CA GLY 10 5.729 -20.326 -4.564 +ATOM 20 CA GLY 11 2.365 -18.853 -5.538 +ATOM 21 CA PRO 12 2.350 -16.090 -2.930 +ATOM 22 CB PRO 12 1.182 -15.644 -3.425 +ATOM 23 CA SER 13 5.014 -17.793 -0.821 +ATOM 24 CB SER 13 4.817 -18.918 -0.956 +ATOM 25 CA SER 14 7.737 -15.375 -1.907 +ATOM 26 CB SER 14 7.135 -14.500 -2.348 +ATOM 27 CA GLY 15 9.915 -13.600 0.652 +ATOM 28 CA ARG 16 7.647 -10.576 1.036 +ATOM 29 CB ARG 16 7.484 -7.809 -0.164 +ATOM 30 CA PRO 17 3.890 -10.767 1.574 +ATOM 31 CB PRO 17 4.248 -9.842 2.482 +ATOM 32 CA PRO 18 1.679 -10.995 -1.508 +ATOM 33 CB PRO 18 1.138 -12.052 -0.876 +ATOM 34 CA PRO 19 -0.621 -8.211 -2.690 +ATOM 35 CB PRO 19 0.438 -7.781 -3.400 +ATOM 36 CA SER 20 -3.032 -10.640 -4.342 +ATOM 37 CB SER 20 -2.492 -11.616 -4.624 +TER +CONECT 1 3 2 +CONECT 3 5 4 +CONECT 5 7 6 +CONECT 7 9 8 +CONECT 9 11 10 +CONECT 11 13 12 +CONECT 13 15 14 +CONECT 15 17 16 +CONECT 17 19 18 +CONECT 19 20 +CONECT 20 21 +CONECT 21 23 22 +CONECT 23 25 24 +CONECT 25 27 26 +CONECT 27 28 +CONECT 28 30 29 +CONECT 30 32 31 +CONECT 32 34 33 +CONECT 34 35 +CONECT 36 37 diff --git a/examples/unres/CSA/GAB/CSA/global/unrestrained/CLUSTER/1l2y_csa_GB0000001_055.pdb b/examples/unres/CSA/GAB/CSA/global/unrestrained/CLUSTER/1l2y_csa_GB0000001_055.pdb new file mode 100644 index 0000000..abe3f8a --- /dev/null +++ b/examples/unres/CSA/GAB/CSA/global/unrestrained/CLUSTER/1l2y_csa_GB0000001_055.pdb @@ -0,0 +1,59 @@ +REMARK 1l2y ENERGY -8.43600E+01 +ATOM 1 CA ASN 1 3.800 0.000 0.000 +ATOM 2 CB ASN 1 4.357 0.290 1.563 +ATOM 3 CA LEU 2 5.680 -3.302 0.000 +ATOM 4 CB LEU 2 6.504 -4.629 -1.149 +ATOM 5 CA TYR 3 8.026 -3.951 2.918 +ATOM 6 CB TYR 3 7.620 -2.482 4.880 +ATOM 7 CA ILE 4 11.067 -3.237 0.754 +ATOM 8 CB ILE 4 11.866 -4.458 -0.259 +ATOM 9 CA GLN 5 9.668 0.154 -0.235 +ATOM 10 CB GLN 5 7.924 -0.188 -1.598 +ATOM 11 CA TRP 6 8.452 0.760 3.314 +ATOM 12 CB TRP 6 7.804 2.296 5.316 +ATOM 13 CA LEU 7 11.797 -0.319 4.759 +ATOM 14 CB LEU 7 12.033 -2.211 5.112 +ATOM 15 CA LYS 8 13.635 1.952 2.329 +ATOM 16 CB LYS 8 14.482 0.050 0.872 +ATOM 17 CA ASP 9 11.022 4.686 2.696 +ATOM 18 CB ASP 9 9.927 4.013 1.569 +ATOM 19 CA GLY 10 11.596 4.977 6.441 +ATOM 20 CA GLY 11 10.140 2.646 9.065 +ATOM 21 CA PRO 12 6.672 1.869 10.408 +ATOM 22 CB PRO 12 6.889 2.194 11.695 +ATOM 23 CA SER 13 4.581 5.041 10.316 +ATOM 24 CB SER 13 3.769 4.453 9.752 +ATOM 25 CA SER 14 7.698 7.155 10.822 +ATOM 26 CB SER 14 8.572 6.410 10.870 +ATOM 27 CA GLY 15 8.132 7.594 7.073 +ATOM 28 CA ARG 16 5.565 5.881 4.855 +ATOM 29 CB ARG 16 5.850 4.228 2.344 +ATOM 30 CA PRO 17 2.887 3.323 5.706 +ATOM 31 CB PRO 17 2.449 3.564 4.457 +ATOM 32 CA PRO 18 3.834 -0.287 6.420 +ATOM 33 CB PRO 18 3.710 0.132 7.692 +ATOM 34 CA PRO 19 1.795 -3.111 4.900 +ATOM 35 CB PRO 19 2.893 -3.175 4.125 +ATOM 36 CA SER 20 -0.259 -5.260 7.266 +ATOM 37 CB SER 20 -1.363 -5.311 6.948 +TER +CONECT 1 3 2 +CONECT 3 5 4 +CONECT 5 7 6 +CONECT 7 9 8 +CONECT 9 11 10 +CONECT 11 13 12 +CONECT 13 15 14 +CONECT 15 17 16 +CONECT 17 19 18 +CONECT 19 20 +CONECT 20 21 +CONECT 21 23 22 +CONECT 23 25 24 +CONECT 25 27 26 +CONECT 27 28 +CONECT 28 30 29 +CONECT 30 32 31 +CONECT 32 34 33 +CONECT 34 35 +CONECT 36 37 diff --git a/examples/unres/CSA/GAB/CSA/global/unrestrained/CLUSTER/1l2y_csa_GB0000001_056.pdb b/examples/unres/CSA/GAB/CSA/global/unrestrained/CLUSTER/1l2y_csa_GB0000001_056.pdb new file mode 100644 index 0000000..5ca5e80 --- /dev/null +++ b/examples/unres/CSA/GAB/CSA/global/unrestrained/CLUSTER/1l2y_csa_GB0000001_056.pdb @@ -0,0 +1,59 @@ +REMARK 1l2y ENERGY -8.42700E+01 +ATOM 1 CA ASN 1 3.800 0.000 0.000 +ATOM 2 CB ASN 1 5.447 0.349 -0.005 +ATOM 3 CA LEU 2 4.062 -3.791 0.000 +ATOM 4 CB LEU 2 3.470 -5.624 -0.221 +ATOM 5 CA TYR 3 6.397 -3.722 -2.997 +ATOM 6 CB TYR 3 5.992 -5.949 -4.022 +ATOM 7 CA ILE 4 9.451 -3.345 -0.768 +ATOM 8 CB ILE 4 10.197 -1.794 -0.328 +ATOM 9 CA GLN 5 8.115 -6.037 1.557 +ATOM 10 CB GLN 5 7.012 -4.445 2.684 +ATOM 11 CA TRP 6 7.235 -8.223 -1.424 +ATOM 12 CB TRP 6 5.589 -10.223 -1.150 +ATOM 13 CA LEU 7 10.513 -7.437 -3.178 +ATOM 14 CB LEU 7 11.934 -6.141 -3.422 +ATOM 15 CA LYS 8 12.131 -10.641 -1.929 +ATOM 16 CB LYS 8 14.418 -10.594 -3.035 +ATOM 17 CA ASP 9 11.348 -9.851 1.705 +ATOM 18 CB ASP 9 10.603 -8.431 1.113 +ATOM 19 CA GLY 10 8.103 -11.828 1.645 +ATOM 20 CA GLY 11 7.289 -14.048 -1.330 +ATOM 21 CA PRO 12 4.085 -15.206 -3.013 +ATOM 22 CB PRO 12 4.357 -16.522 -3.047 +ATOM 23 CA SER 13 1.649 -15.875 -0.174 +ATOM 24 CB SER 13 1.120 -16.896 -0.173 +ATOM 25 CA SER 14 4.493 -16.752 2.189 +ATOM 26 CB SER 14 5.510 -16.622 1.668 +ATOM 27 CA GLY 15 4.481 -13.285 3.747 +ATOM 28 CA ARG 16 1.998 -10.746 2.395 +ATOM 29 CB ARG 16 4.710 -9.424 2.536 +ATOM 30 CA PRO 17 0.481 -10.821 -1.088 +ATOM 31 CB PRO 17 -0.485 -10.134 -0.453 +ATOM 32 CA PRO 18 2.487 -9.412 -3.992 +ATOM 33 CB PRO 18 2.567 -10.721 -4.288 +ATOM 34 CA PRO 19 1.110 -6.387 -5.834 +ATOM 35 CB PRO 19 1.761 -5.537 -5.020 +ATOM 36 CA SER 20 3.332 -6.954 -8.864 +ATOM 37 CB SER 20 4.376 -7.333 -8.567 +TER +CONECT 1 3 2 +CONECT 3 5 4 +CONECT 5 7 6 +CONECT 7 9 8 +CONECT 9 11 10 +CONECT 11 13 12 +CONECT 13 15 14 +CONECT 15 17 16 +CONECT 17 19 18 +CONECT 19 20 +CONECT 20 21 +CONECT 21 23 22 +CONECT 23 25 24 +CONECT 25 27 26 +CONECT 27 28 +CONECT 28 30 29 +CONECT 30 32 31 +CONECT 32 34 33 +CONECT 34 35 +CONECT 36 37 diff --git a/examples/unres/CSA/GAB/CSA/global/unrestrained/CLUSTER/1l2y_csa_GB0000001_057.pdb b/examples/unres/CSA/GAB/CSA/global/unrestrained/CLUSTER/1l2y_csa_GB0000001_057.pdb new file mode 100644 index 0000000..06f894b --- /dev/null +++ b/examples/unres/CSA/GAB/CSA/global/unrestrained/CLUSTER/1l2y_csa_GB0000001_057.pdb @@ -0,0 +1,59 @@ +REMARK 1l2y ENERGY -8.40800E+01 +ATOM 1 CA ASN 1 3.800 0.000 0.000 +ATOM 2 CB ASN 1 5.424 0.412 0.170 +ATOM 3 CA LEU 2 4.056 -3.791 0.000 +ATOM 4 CB LEU 2 3.551 -5.662 -0.084 +ATOM 5 CA TYR 3 5.946 -3.766 -3.297 +ATOM 6 CB TYR 3 5.054 -5.924 -4.145 +ATOM 7 CA ILE 4 9.228 -3.164 -1.478 +ATOM 8 CB ILE 4 9.964 -1.595 -1.093 +ATOM 9 CA GLN 5 8.369 -5.943 0.967 +ATOM 10 CB GLN 5 7.345 -4.470 2.309 +ATOM 11 CA TRP 6 7.153 -8.114 -1.905 +ATOM 12 CB TRP 6 6.069 -10.351 -2.685 +ATOM 13 CA LEU 7 10.370 -7.430 -3.809 +ATOM 14 CB LEU 7 9.617 -6.182 -5.089 +ATOM 15 CA LYS 8 12.394 -8.268 -0.705 +ATOM 16 CB LYS 8 12.665 -5.918 0.223 +ATOM 17 CA ASP 9 10.701 -11.657 -0.411 +ATOM 18 CB ASP 9 9.115 -11.306 0.122 +ATOM 19 CA GLY 10 12.967 -13.148 -3.072 +ATOM 20 CA GLY 11 12.801 -12.970 -6.864 +ATOM 21 CA PRO 12 10.331 -15.507 -8.244 +ATOM 22 CB PRO 12 11.289 -15.968 -9.068 +ATOM 23 CA SER 13 10.448 -17.584 -5.063 +ATOM 24 CB SER 13 11.181 -17.140 -4.296 +ATOM 25 CA SER 14 7.371 -15.870 -3.638 +ATOM 26 CB SER 14 6.868 -15.472 -4.592 +ATOM 27 CA GLY 15 4.375 -17.178 -1.701 +ATOM 28 CA ARG 16 2.845 -13.768 -1.015 +ATOM 29 CB ARG 16 4.153 -11.463 0.432 +ATOM 30 CA PRO 17 1.416 -12.184 -4.159 +ATOM 31 CB PRO 17 1.610 -11.004 -3.543 +ATOM 32 CA PRO 18 4.137 -11.947 -6.801 +ATOM 33 CB PRO 18 3.671 -13.154 -7.167 +ATOM 34 CA PRO 19 4.780 -9.373 -9.522 +ATOM 35 CB PRO 19 5.514 -8.671 -8.640 +ATOM 36 CA SER 20 7.397 -11.520 -11.248 +ATOM 37 CB SER 20 8.023 -12.191 -10.555 +TER +CONECT 1 3 2 +CONECT 3 5 4 +CONECT 5 7 6 +CONECT 7 9 8 +CONECT 9 11 10 +CONECT 11 13 12 +CONECT 13 15 14 +CONECT 15 17 16 +CONECT 17 19 18 +CONECT 19 20 +CONECT 20 21 +CONECT 21 23 22 +CONECT 23 25 24 +CONECT 25 27 26 +CONECT 27 28 +CONECT 28 30 29 +CONECT 30 32 31 +CONECT 32 34 33 +CONECT 34 35 +CONECT 36 37 diff --git a/examples/unres/CSA/GAB/CSA/global/unrestrained/CLUSTER/1l2y_csa_GB0000001_058.pdb b/examples/unres/CSA/GAB/CSA/global/unrestrained/CLUSTER/1l2y_csa_GB0000001_058.pdb new file mode 100644 index 0000000..c0c7309 --- /dev/null +++ b/examples/unres/CSA/GAB/CSA/global/unrestrained/CLUSTER/1l2y_csa_GB0000001_058.pdb @@ -0,0 +1,59 @@ +REMARK 1l2y ENERGY -8.37100E+01 +ATOM 1 CA ASN 1 3.800 0.000 0.000 +ATOM 2 CB ASN 1 5.416 0.399 0.255 +ATOM 3 CA LEU 2 4.056 -3.791 0.000 +ATOM 4 CB LEU 2 3.456 -5.562 0.515 +ATOM 5 CA TYR 3 3.404 -4.033 -3.736 +ATOM 6 CB TYR 3 5.058 -3.026 -5.293 +ATOM 7 CA ILE 4 4.219 -7.585 -4.814 +ATOM 8 CB ILE 4 3.829 -8.729 -3.513 +ATOM 9 CA GLN 5 2.633 -7.032 -8.222 +ATOM 10 CB GLN 5 0.552 -7.070 -7.393 +ATOM 11 CA TRP 6 5.410 -4.604 -9.135 +ATOM 12 CB TRP 6 7.551 -3.504 -10.132 +ATOM 13 CA LEU 7 8.035 -6.924 -7.662 +ATOM 14 CB LEU 7 8.395 -6.202 -5.898 +ATOM 15 CA LYS 8 6.808 -9.784 -9.842 +ATOM 16 CB LYS 8 5.962 -11.045 -7.805 +ATOM 17 CA ASP 9 5.892 -7.452 -12.699 +ATOM 18 CB ASP 9 4.522 -6.558 -12.204 +ATOM 19 CA GLY 10 9.495 -6.334 -13.152 +ATOM 20 CA GLY 11 11.682 -5.226 -10.248 +ATOM 21 CA PRO 12 13.973 -2.378 -11.289 +ATOM 22 CB PRO 12 15.029 -3.005 -10.739 +ATOM 23 CA SER 13 13.859 -3.486 -14.922 +ATOM 24 CB SER 13 13.470 -4.564 -15.015 +ATOM 25 CA SER 14 10.385 -2.013 -15.367 +ATOM 26 CB SER 14 9.539 -2.482 -14.744 +ATOM 27 CA GLY 15 11.205 1.057 -13.283 +ATOM 28 CA ARG 16 8.201 0.834 -10.967 +ATOM 29 CB ARG 16 5.598 -0.376 -10.027 +ATOM 30 CA PRO 17 8.818 1.282 -7.244 +ATOM 31 CB PRO 17 7.608 1.863 -7.336 +ATOM 32 CA PRO 18 10.038 -1.858 -5.487 +ATOM 33 CB PRO 18 10.728 -2.047 -6.626 +ATOM 34 CA PRO 19 9.624 -1.658 -1.715 +ATOM 35 CB PRO 19 8.381 -2.168 -1.770 +ATOM 36 CA SER 20 11.887 -4.640 -1.066 +ATOM 37 CB SER 20 11.949 -5.396 -1.931 +TER +CONECT 1 3 2 +CONECT 3 5 4 +CONECT 5 7 6 +CONECT 7 9 8 +CONECT 9 11 10 +CONECT 11 13 12 +CONECT 13 15 14 +CONECT 15 17 16 +CONECT 17 19 18 +CONECT 19 20 +CONECT 20 21 +CONECT 21 23 22 +CONECT 23 25 24 +CONECT 25 27 26 +CONECT 27 28 +CONECT 28 30 29 +CONECT 30 32 31 +CONECT 32 34 33 +CONECT 34 35 +CONECT 36 37 diff --git a/examples/unres/CSA/GAB/CSA/global/unrestrained/CLUSTER/1l2y_csa_GB0000001_059.pdb b/examples/unres/CSA/GAB/CSA/global/unrestrained/CLUSTER/1l2y_csa_GB0000001_059.pdb new file mode 100644 index 0000000..1359372 --- /dev/null +++ b/examples/unres/CSA/GAB/CSA/global/unrestrained/CLUSTER/1l2y_csa_GB0000001_059.pdb @@ -0,0 +1,59 @@ +REMARK 1l2y ENERGY -8.33700E+01 +ATOM 1 CA ASN 1 3.800 0.000 0.000 +ATOM 2 CB ASN 1 5.403 0.312 0.411 +ATOM 3 CA LEU 2 4.058 -3.791 0.000 +ATOM 4 CB LEU 2 3.566 -5.551 0.650 +ATOM 5 CA TYR 3 3.146 -4.028 -3.682 +ATOM 6 CB TYR 3 4.573 -2.000 -3.519 +ATOM 7 CA ILE 4 4.858 -5.826 -6.559 +ATOM 8 CB ILE 4 3.977 -7.150 -7.348 +ATOM 9 CA GLN 5 6.284 -2.564 -7.887 +ATOM 10 CB GLN 5 4.613 -1.127 -7.485 +ATOM 11 CA TRP 6 8.374 -2.158 -4.739 +ATOM 12 CB TRP 6 10.698 -1.546 -3.734 +ATOM 13 CA LEU 7 9.373 -5.825 -4.783 +ATOM 14 CB LEU 7 8.068 -6.279 -3.422 +ATOM 15 CA LYS 8 10.691 -5.472 -8.329 +ATOM 16 CB LYS 8 8.849 -6.929 -9.299 +ATOM 17 CA ASP 9 11.973 -1.954 -7.679 +ATOM 18 CB ASP 9 10.555 -1.030 -7.914 +ATOM 19 CA GLY 10 14.575 -3.125 -5.170 +ATOM 20 CA GLY 11 17.729 -1.542 -3.760 +ATOM 21 CA PRO 12 20.033 -2.470 -6.635 +ATOM 22 CB PRO 12 20.215 -3.706 -6.136 +ATOM 23 CA SER 13 17.186 -3.057 -9.083 +ATOM 24 CB SER 13 16.242 -3.612 -8.732 +ATOM 25 CA SER 14 15.996 0.541 -8.794 +ATOM 26 CB SER 14 14.848 0.608 -8.774 +ATOM 27 CA GLY 15 16.451 2.324 -5.470 +ATOM 28 CA ARG 16 12.776 2.293 -4.503 +ATOM 29 CB ARG 16 9.882 1.821 -5.225 +ATOM 30 CA PRO 17 11.705 2.099 -0.862 +ATOM 31 CB PRO 17 10.431 1.808 -1.183 +ATOM 32 CA PRO 18 12.101 -1.366 0.648 +ATOM 33 CB PRO 18 13.056 -0.714 1.337 +ATOM 34 CA PRO 19 8.952 -3.298 1.535 +ATOM 35 CB PRO 19 8.410 -3.025 0.335 +ATOM 36 CA SER 20 10.510 -4.853 4.633 +ATOM 37 CB SER 20 11.654 -4.961 4.596 +TER +CONECT 1 3 2 +CONECT 3 5 4 +CONECT 5 7 6 +CONECT 7 9 8 +CONECT 9 11 10 +CONECT 11 13 12 +CONECT 13 15 14 +CONECT 15 17 16 +CONECT 17 19 18 +CONECT 19 20 +CONECT 20 21 +CONECT 21 23 22 +CONECT 23 25 24 +CONECT 25 27 26 +CONECT 27 28 +CONECT 28 30 29 +CONECT 30 32 31 +CONECT 32 34 33 +CONECT 34 35 +CONECT 36 37 diff --git a/examples/unres/CSA/GAB/CSA/global/unrestrained/CLUSTER/1l2y_csa_GB0000002_001.pdb b/examples/unres/CSA/GAB/CSA/global/unrestrained/CLUSTER/1l2y_csa_GB0000002_001.pdb new file mode 100644 index 0000000..557c566 --- /dev/null +++ b/examples/unres/CSA/GAB/CSA/global/unrestrained/CLUSTER/1l2y_csa_GB0000002_001.pdb @@ -0,0 +1,59 @@ +REMARK 1l2y ENERGY -9.01900E+01 +ATOM 1 CA ASN 1 3.800 0.000 0.000 +ATOM 2 CB ASN 1 5.470 0.165 0.142 +ATOM 3 CA LEU 2 4.066 -3.791 0.000 +ATOM 4 CB LEU 2 3.778 -5.686 0.289 +ATOM 5 CA TYR 3 5.783 -3.769 -3.390 +ATOM 6 CB TYR 3 5.939 -1.790 -4.883 +ATOM 7 CA ILE 4 9.052 -2.867 -1.675 +ATOM 8 CB ILE 4 10.056 -1.467 -2.106 +ATOM 9 CA GLN 5 8.509 -5.709 0.789 +ATOM 10 CB GLN 5 7.402 -4.935 2.575 +ATOM 11 CA TRP 6 7.408 -7.948 -2.077 +ATOM 12 CB TRP 6 7.973 -9.736 -3.886 +ATOM 13 CA LEU 7 10.396 -6.780 -4.113 +ATOM 14 CB LEU 7 9.808 -5.298 -5.216 +ATOM 15 CA LYS 8 12.737 -7.942 -1.355 +ATOM 16 CB LYS 8 13.300 -5.503 -0.917 +ATOM 17 CA ASP 9 10.595 -10.998 -0.638 +ATOM 18 CB ASP 9 9.226 -10.419 0.205 +ATOM 19 CA GLY 10 11.508 -12.667 -3.928 +ATOM 20 CA GLY 11 11.611 -11.209 -7.436 +ATOM 21 CA PRO 12 10.471 -14.487 -8.985 +ATOM 22 CB PRO 12 11.489 -15.137 -8.394 +ATOM 23 CA SER 13 7.767 -14.941 -6.355 +ATOM 24 CB SER 13 8.370 -15.297 -5.443 +ATOM 25 CA SER 14 5.888 -11.843 -7.500 +ATOM 26 CB SER 14 5.118 -11.428 -6.753 +ATOM 27 CA GLY 15 7.687 -8.564 -8.173 +ATOM 28 CA ARG 16 6.234 -5.066 -8.484 +ATOM 29 CB ARG 16 5.398 -6.303 -5.859 +ATOM 30 CA PRO 17 7.996 -1.791 -9.265 +ATOM 31 CB PRO 17 6.783 -1.549 -9.793 +ATOM 32 CA PRO 18 9.789 0.069 -6.477 +ATOM 33 CB PRO 18 10.796 0.169 -7.363 +ATOM 34 CA PRO 19 8.352 3.354 -5.218 +ATOM 35 CB PRO 19 7.945 2.587 -4.191 +ATOM 36 CA SER 20 11.769 4.998 -4.979 +ATOM 37 CB SER 20 12.633 4.238 -4.976 +TER +CONECT 1 3 2 +CONECT 3 5 4 +CONECT 5 7 6 +CONECT 7 9 8 +CONECT 9 11 10 +CONECT 11 13 12 +CONECT 13 15 14 +CONECT 15 17 16 +CONECT 17 19 18 +CONECT 19 20 +CONECT 20 21 +CONECT 21 23 22 +CONECT 23 25 24 +CONECT 25 27 26 +CONECT 27 28 +CONECT 28 30 29 +CONECT 30 32 31 +CONECT 32 34 33 +CONECT 34 35 +CONECT 36 37 diff --git a/examples/unres/CSA/GAB/CSA/global/unrestrained/CLUSTER/1l2y_csa_GB0000002_002.pdb b/examples/unres/CSA/GAB/CSA/global/unrestrained/CLUSTER/1l2y_csa_GB0000002_002.pdb new file mode 100644 index 0000000..06d3fc6 --- /dev/null +++ b/examples/unres/CSA/GAB/CSA/global/unrestrained/CLUSTER/1l2y_csa_GB0000002_002.pdb @@ -0,0 +1,59 @@ +REMARK 1l2y ENERGY -8.81200E+01 +ATOM 1 CA ASN 1 3.800 0.000 0.000 +ATOM 2 CB ASN 1 5.464 0.221 0.137 +ATOM 3 CA LEU 2 4.064 -3.791 0.000 +ATOM 4 CB LEU 2 3.668 -5.671 0.259 +ATOM 5 CA TYR 3 5.884 -3.760 -3.336 +ATOM 6 CB TYR 3 6.085 -1.815 -4.868 +ATOM 7 CA ILE 4 9.093 -2.840 -1.520 +ATOM 8 CB ILE 4 10.031 -1.381 -1.901 +ATOM 9 CA GLN 5 8.568 -5.784 0.824 +ATOM 10 CB GLN 5 7.331 -5.183 2.593 +ATOM 11 CA TRP 6 7.565 -7.923 -2.153 +ATOM 12 CB TRP 6 7.907 -9.915 -3.796 +ATOM 13 CA LEU 7 10.637 -6.686 -4.017 +ATOM 14 CB LEU 7 9.995 -5.198 -5.081 +ATOM 15 CA LYS 8 12.824 -8.081 -1.240 +ATOM 16 CB LYS 8 12.096 -6.095 0.168 +ATOM 17 CA ASP 9 11.338 -11.512 -1.917 +ATOM 18 CB ASP 9 9.967 -11.743 -0.923 +ATOM 19 CA GLY 10 11.887 -11.088 -5.653 +ATOM 20 CA GLY 11 11.009 -14.671 -6.565 +ATOM 21 CA PRO 12 7.804 -16.175 -7.946 +ATOM 22 CB PRO 12 8.561 -17.034 -8.650 +ATOM 23 CA SER 13 5.615 -14.673 -5.227 +ATOM 24 CB SER 13 6.103 -14.377 -4.229 +ATOM 25 CA SER 14 5.368 -11.260 -6.880 +ATOM 26 CB SER 14 4.725 -10.547 -6.247 +ATOM 27 CA GLY 15 7.890 -8.640 -7.982 +ATOM 28 CA ARG 16 6.589 -5.098 -8.436 +ATOM 29 CB ARG 16 5.614 -6.288 -5.837 +ATOM 30 CA PRO 17 8.383 -1.839 -9.208 +ATOM 31 CB PRO 17 7.198 -1.608 -9.801 +ATOM 32 CA PRO 18 9.981 0.101 -6.357 +ATOM 33 CB PRO 18 11.039 0.195 -7.183 +ATOM 34 CA PRO 19 8.434 3.391 -5.251 +ATOM 35 CB PRO 19 7.981 2.646 -4.227 +ATOM 36 CA SER 20 11.813 5.080 -4.836 +ATOM 37 CB SER 20 12.681 4.330 -4.755 +TER +CONECT 1 3 2 +CONECT 3 5 4 +CONECT 5 7 6 +CONECT 7 9 8 +CONECT 9 11 10 +CONECT 11 13 12 +CONECT 13 15 14 +CONECT 15 17 16 +CONECT 17 19 18 +CONECT 19 20 +CONECT 20 21 +CONECT 21 23 22 +CONECT 23 25 24 +CONECT 25 27 26 +CONECT 27 28 +CONECT 28 30 29 +CONECT 30 32 31 +CONECT 32 34 33 +CONECT 34 35 +CONECT 36 37 diff --git a/examples/unres/CSA/GAB/CSA/global/unrestrained/CLUSTER/1l2y_csa_GB0000002_003.pdb b/examples/unres/CSA/GAB/CSA/global/unrestrained/CLUSTER/1l2y_csa_GB0000002_003.pdb new file mode 100644 index 0000000..236c6d1 --- /dev/null +++ b/examples/unres/CSA/GAB/CSA/global/unrestrained/CLUSTER/1l2y_csa_GB0000002_003.pdb @@ -0,0 +1,59 @@ +REMARK 1l2y ENERGY -8.74400E+01 +ATOM 1 CA ASN 1 3.800 0.000 0.000 +ATOM 2 CB ASN 1 5.454 0.315 0.009 +ATOM 3 CA LEU 2 4.060 -3.791 0.000 +ATOM 4 CB LEU 2 3.603 -5.675 0.002 +ATOM 5 CA TYR 3 5.319 -3.870 -3.584 +ATOM 6 CB TYR 3 6.745 -1.839 -3.488 +ATOM 7 CA ILE 4 6.907 -7.271 -2.992 +ATOM 8 CB ILE 4 7.976 -7.358 -1.576 +ATOM 9 CA GLN 5 3.743 -8.931 -4.285 +ATOM 10 CB GLN 5 1.794 -8.027 -3.651 +ATOM 11 CA TRP 6 3.837 -6.613 -7.295 +ATOM 12 CB TRP 6 3.618 -6.474 -9.887 +ATOM 13 CA LEU 7 7.527 -7.385 -7.775 +ATOM 14 CB LEU 7 8.076 -5.655 -7.091 +ATOM 15 CA LYS 8 6.716 -11.097 -7.842 +ATOM 16 CB LYS 8 7.118 -11.421 -5.354 +ATOM 17 CA ASP 9 4.143 -10.468 -10.566 +ATOM 18 CB ASP 9 2.606 -10.300 -9.838 +ATOM 19 CA GLY 10 6.609 -8.373 -12.559 +ATOM 20 CA GLY 11 4.555 -8.344 -15.756 +ATOM 21 CA PRO 12 2.144 -5.821 -17.261 +ATOM 22 CB PRO 12 2.589 -6.187 -18.476 +ATOM 23 CA SER 13 0.024 -5.574 -14.116 +ATOM 24 CB SER 13 0.030 -6.454 -13.376 +ATOM 25 CA SER 14 2.402 -3.206 -12.333 +ATOM 26 CB SER 14 2.002 -2.949 -11.286 +ATOM 27 CA GLY 15 6.059 -3.299 -11.307 +ATOM 28 CA ARG 16 7.044 -0.913 -8.517 +ATOM 29 CB ARG 16 4.858 -2.516 -7.185 +ATOM 30 CA PRO 17 10.243 -0.540 -6.501 +ATOM 31 CB PRO 17 9.884 0.746 -6.669 +ATOM 32 CA PRO 18 10.774 -2.983 -3.640 +ATOM 33 CB PRO 18 12.051 -3.021 -4.060 +ATOM 34 CA PRO 19 10.343 -1.908 -0.021 +ATOM 35 CB PRO 19 9.196 -2.608 -0.082 +ATOM 36 CA SER 20 13.089 -4.220 1.228 +ATOM 37 CB SER 20 12.957 -5.304 0.868 +TER +CONECT 1 3 2 +CONECT 3 5 4 +CONECT 5 7 6 +CONECT 7 9 8 +CONECT 9 11 10 +CONECT 11 13 12 +CONECT 13 15 14 +CONECT 15 17 16 +CONECT 17 19 18 +CONECT 19 20 +CONECT 20 21 +CONECT 21 23 22 +CONECT 23 25 24 +CONECT 25 27 26 +CONECT 27 28 +CONECT 28 30 29 +CONECT 30 32 31 +CONECT 32 34 33 +CONECT 34 35 +CONECT 36 37 diff --git a/examples/unres/CSA/GAB/CSA/global/unrestrained/CLUSTER/1l2y_csa_GB0000002_004.pdb b/examples/unres/CSA/GAB/CSA/global/unrestrained/CLUSTER/1l2y_csa_GB0000002_004.pdb new file mode 100644 index 0000000..bf276b5 --- /dev/null +++ b/examples/unres/CSA/GAB/CSA/global/unrestrained/CLUSTER/1l2y_csa_GB0000002_004.pdb @@ -0,0 +1,59 @@ +REMARK 1l2y ENERGY -8.74100E+01 +ATOM 1 CA ASN 1 3.800 0.000 0.000 +ATOM 2 CB ASN 1 5.462 0.262 0.077 +ATOM 3 CA LEU 2 4.064 -3.791 0.000 +ATOM 4 CB LEU 2 3.858 -5.716 -0.106 +ATOM 5 CA TYR 3 6.236 -3.739 -3.118 +ATOM 6 CB TYR 3 5.808 -5.622 -4.680 +ATOM 7 CA ILE 4 9.386 -3.556 -1.001 +ATOM 8 CB ILE 4 10.186 -2.031 -0.566 +ATOM 9 CA GLN 5 8.097 -6.384 1.186 +ATOM 10 CB GLN 5 7.286 -4.906 2.660 +ATOM 11 CA TRP 6 6.888 -8.249 -1.896 +ATOM 12 CB TRP 6 6.278 -10.086 -3.639 +ATOM 13 CA LEU 7 10.305 -7.978 -3.538 +ATOM 14 CB LEU 7 10.216 -6.356 -4.598 +ATOM 15 CA LYS 8 12.021 -9.356 -0.441 +ATOM 16 CB LYS 8 9.742 -9.145 0.662 +ATOM 17 CA ASP 9 13.209 -12.271 -2.570 +ATOM 18 CB ASP 9 14.262 -13.225 -1.619 +ATOM 19 CA GLY 10 9.870 -12.355 -4.381 +ATOM 20 CA GLY 11 7.779 -12.757 -1.233 +ATOM 21 CA PRO 12 9.738 -12.650 2.022 +ATOM 22 CB PRO 12 8.908 -13.570 2.545 +ATOM 23 CA SER 13 12.390 -15.030 0.702 +ATOM 24 CB SER 13 12.730 -15.854 1.429 +ATOM 25 CA SER 14 9.855 -17.111 -1.217 +ATOM 26 CB SER 14 8.830 -16.819 -0.784 +ATOM 27 CA GLY 15 8.797 -17.032 -4.866 +ATOM 28 CA ARG 16 5.194 -16.044 -4.175 +ATOM 29 CB ARG 16 4.366 -13.636 -2.551 +ATOM 30 CA PRO 17 2.749 -14.474 -6.624 +ATOM 31 CB PRO 17 1.914 -15.205 -5.865 +ATOM 32 CA PRO 18 3.181 -10.768 -7.345 +ATOM 33 CB PRO 18 2.963 -11.147 -8.617 +ATOM 34 CA PRO 19 0.739 -8.296 -5.806 +ATOM 35 CB PRO 19 1.694 -8.215 -4.863 +ATOM 36 CA SER 20 1.072 -5.853 -8.698 +ATOM 37 CB SER 20 2.150 -5.730 -8.316 +TER +CONECT 1 3 2 +CONECT 3 5 4 +CONECT 5 7 6 +CONECT 7 9 8 +CONECT 9 11 10 +CONECT 11 13 12 +CONECT 13 15 14 +CONECT 15 17 16 +CONECT 17 19 18 +CONECT 19 20 +CONECT 20 21 +CONECT 21 23 22 +CONECT 23 25 24 +CONECT 25 27 26 +CONECT 27 28 +CONECT 28 30 29 +CONECT 30 32 31 +CONECT 32 34 33 +CONECT 34 35 +CONECT 36 37 diff --git a/examples/unres/CSA/GAB/CSA/global/unrestrained/CLUSTER/1l2y_csa_GB0000002_005.pdb b/examples/unres/CSA/GAB/CSA/global/unrestrained/CLUSTER/1l2y_csa_GB0000002_005.pdb new file mode 100644 index 0000000..fa81a99 --- /dev/null +++ b/examples/unres/CSA/GAB/CSA/global/unrestrained/CLUSTER/1l2y_csa_GB0000002_005.pdb @@ -0,0 +1,59 @@ +REMARK 1l2y ENERGY -8.69600E+01 +ATOM 1 CA ASN 1 3.800 0.000 0.000 +ATOM 2 CB ASN 1 5.371 0.472 0.379 +ATOM 3 CA LEU 2 4.051 -3.792 0.000 +ATOM 4 CB LEU 2 3.598 -5.621 0.456 +ATOM 5 CA TYR 3 4.629 -3.962 -3.752 +ATOM 6 CB TYR 3 5.511 -1.662 -3.433 +ATOM 7 CA ILE 4 7.640 -5.292 -5.651 +ATOM 8 CB ILE 4 7.334 -6.762 -6.599 +ATOM 9 CA GLN 5 8.882 -1.775 -6.379 +ATOM 10 CB GLN 5 7.140 -0.481 -6.934 +ATOM 11 CA TRP 6 9.305 -1.104 -2.663 +ATOM 12 CB TRP 6 10.308 0.260 -0.683 +ATOM 13 CA LEU 7 10.794 -4.563 -2.155 +ATOM 14 CB LEU 7 9.200 -5.430 -1.473 +ATOM 15 CA LYS 8 13.425 -3.830 -4.798 +ATOM 16 CB LYS 8 12.395 -5.433 -6.478 +ATOM 17 CA ASP 9 13.871 -0.277 -3.526 +ATOM 18 CB ASP 9 12.558 0.600 -4.181 +ATOM 19 CA GLY 10 15.536 -1.500 -0.337 +ATOM 20 CA GLY 11 14.013 -4.591 1.265 +ATOM 21 CA PRO 12 15.342 -3.671 4.704 +ATOM 22 CB PRO 12 16.582 -3.560 4.197 +ATOM 23 CA SER 13 14.043 -0.131 4.226 +ATOM 24 CB SER 13 14.267 0.330 3.196 +ATOM 25 CA SER 14 10.681 -1.554 3.170 +ATOM 26 CB SER 14 10.731 -2.321 2.316 +ATOM 27 CA GLY 15 10.519 -4.001 6.073 +ATOM 28 CA ARG 16 7.158 -5.447 5.050 +ATOM 29 CB ARG 16 7.243 -3.750 2.553 +ATOM 30 CA PRO 17 6.342 -8.947 3.816 +ATOM 31 CB PRO 17 5.160 -8.589 4.348 +ATOM 32 CA PRO 18 7.112 -9.786 0.191 +ATOM 33 CB PRO 18 7.717 -10.860 0.728 +ATOM 34 CA PRO 19 4.308 -10.236 -2.334 +ATOM 35 CB PRO 19 4.720 -9.024 -2.746 +ATOM 36 CA SER 20 6.177 -12.897 -4.300 +ATOM 37 CB SER 20 6.643 -12.088 -4.971 +TER +CONECT 1 3 2 +CONECT 3 5 4 +CONECT 5 7 6 +CONECT 7 9 8 +CONECT 9 11 10 +CONECT 11 13 12 +CONECT 13 15 14 +CONECT 15 17 16 +CONECT 17 19 18 +CONECT 19 20 +CONECT 20 21 +CONECT 21 23 22 +CONECT 23 25 24 +CONECT 25 27 26 +CONECT 27 28 +CONECT 28 30 29 +CONECT 30 32 31 +CONECT 32 34 33 +CONECT 34 35 +CONECT 36 37 diff --git a/examples/unres/CSA/GAB/CSA/global/unrestrained/CLUSTER/1l2y_csa_GB0000002_006.pdb b/examples/unres/CSA/GAB/CSA/global/unrestrained/CLUSTER/1l2y_csa_GB0000002_006.pdb new file mode 100644 index 0000000..e38173a --- /dev/null +++ b/examples/unres/CSA/GAB/CSA/global/unrestrained/CLUSTER/1l2y_csa_GB0000002_006.pdb @@ -0,0 +1,59 @@ +REMARK 1l2y ENERGY -8.69000E+01 +ATOM 1 CA ASN 1 3.800 0.000 0.000 +ATOM 2 CB ASN 1 5.461 0.230 0.150 +ATOM 3 CA LEU 2 4.064 -3.791 0.000 +ATOM 4 CB LEU 2 3.724 -5.693 0.161 +ATOM 5 CA TYR 3 5.685 -3.783 -3.437 +ATOM 6 CB TYR 3 5.637 -1.751 -4.865 +ATOM 7 CA ILE 4 8.992 -2.779 -1.857 +ATOM 8 CB ILE 4 9.762 -1.235 -2.276 +ATOM 9 CA GLN 5 8.702 -5.685 0.575 +ATOM 10 CB GLN 5 7.567 -7.365 1.527 +ATOM 11 CA TRP 6 7.278 -7.836 -2.216 +ATOM 12 CB TRP 6 6.726 -10.355 -1.851 +ATOM 13 CA LEU 7 10.141 -6.743 -4.464 +ATOM 14 CB LEU 7 9.552 -5.171 -5.433 +ATOM 15 CA LYS 8 12.635 -7.826 -1.809 +ATOM 16 CB LYS 8 12.719 -5.537 -0.710 +ATOM 17 CA ASP 9 11.185 -11.339 -1.776 +ATOM 18 CB ASP 9 10.214 -11.334 -0.369 +ATOM 19 CA GLY 10 12.320 -12.031 -5.335 +ATOM 20 CA GLY 11 11.062 -12.098 -8.920 +ATOM 21 CA PRO 12 9.233 -15.399 -8.474 +ATOM 22 CB PRO 12 10.373 -15.981 -8.062 +ATOM 23 CA SER 13 7.809 -14.309 -5.124 +ATOM 24 CB SER 13 8.505 -13.719 -4.423 +ATOM 25 CA SER 14 6.227 -11.179 -6.587 +ATOM 26 CB SER 14 5.684 -10.577 -5.771 +ATOM 27 CA GLY 15 7.857 -8.231 -8.346 +ATOM 28 CA ARG 16 6.024 -4.906 -8.498 +ATOM 29 CB ARG 16 5.247 -6.249 -5.907 +ATOM 30 CA PRO 17 7.500 -1.518 -9.382 +ATOM 31 CB PRO 17 6.241 -1.350 -9.822 +ATOM 32 CA PRO 18 9.262 0.467 -6.662 +ATOM 33 CB PRO 18 10.237 0.597 -7.580 +ATOM 34 CA PRO 19 7.659 3.649 -5.341 +ATOM 35 CB PRO 19 7.350 2.869 -4.290 +ATOM 36 CA SER 20 10.973 5.502 -5.180 +ATOM 37 CB SER 20 11.880 4.797 -5.133 +TER +CONECT 1 3 2 +CONECT 3 5 4 +CONECT 5 7 6 +CONECT 7 9 8 +CONECT 9 11 10 +CONECT 11 13 12 +CONECT 13 15 14 +CONECT 15 17 16 +CONECT 17 19 18 +CONECT 19 20 +CONECT 20 21 +CONECT 21 23 22 +CONECT 23 25 24 +CONECT 25 27 26 +CONECT 27 28 +CONECT 28 30 29 +CONECT 30 32 31 +CONECT 32 34 33 +CONECT 34 35 +CONECT 36 37 diff --git a/examples/unres/CSA/GAB/CSA/global/unrestrained/CLUSTER/1l2y_csa_GB0000002_007.pdb b/examples/unres/CSA/GAB/CSA/global/unrestrained/CLUSTER/1l2y_csa_GB0000002_007.pdb new file mode 100644 index 0000000..2efbcc4 --- /dev/null +++ b/examples/unres/CSA/GAB/CSA/global/unrestrained/CLUSTER/1l2y_csa_GB0000002_007.pdb @@ -0,0 +1,59 @@ +REMARK 1l2y ENERGY -8.68700E+01 +ATOM 1 CA ASN 1 3.800 0.000 0.000 +ATOM 2 CB ASN 1 5.423 0.417 0.165 +ATOM 3 CA LEU 2 4.057 -3.791 0.000 +ATOM 4 CB LEU 2 4.062 -5.710 -0.280 +ATOM 5 CA TYR 3 6.062 -3.740 -3.228 +ATOM 6 CB TYR 3 5.851 -1.291 -3.583 +ATOM 7 CA ILE 4 9.307 -3.522 -1.262 +ATOM 8 CB ILE 4 9.975 -1.966 -0.728 +ATOM 9 CA GLN 5 8.062 -6.390 0.898 +ATOM 10 CB GLN 5 7.500 -4.893 2.467 +ATOM 11 CA TRP 6 7.198 -8.298 -2.272 +ATOM 12 CB TRP 6 7.383 -10.785 -3.022 +ATOM 13 CA LEU 7 10.823 -7.993 -3.373 +ATOM 14 CB LEU 7 11.548 -6.396 -4.199 +ATOM 15 CA LYS 8 11.966 -9.264 0.021 +ATOM 16 CB LYS 8 12.546 -6.899 0.747 +ATOM 17 CA ASP 9 9.388 -12.055 -0.026 +ATOM 18 CB ASP 9 8.078 -11.325 0.794 +ATOM 19 CA GLY 10 10.986 -13.759 -3.023 +ATOM 20 CA GLY 11 10.076 -16.419 -5.580 +ATOM 21 CA PRO 12 9.247 -19.039 -2.955 +ATOM 22 CB PRO 12 10.425 -18.801 -2.351 +ATOM 23 CA SER 13 7.101 -16.594 -0.991 +ATOM 24 CB SER 13 7.589 -15.557 -0.899 +ATOM 25 CA SER 14 4.993 -15.648 -4.008 +ATOM 26 CB SER 14 4.270 -14.787 -3.765 +ATOM 27 CA GLY 15 6.453 -14.005 -7.108 +ATOM 28 CA ARG 16 5.950 -10.249 -7.393 +ATOM 29 CB ARG 16 7.006 -7.820 -5.943 +ATOM 30 CA PRO 17 7.465 -7.772 -9.845 +ATOM 31 CB PRO 17 6.156 -7.622 -10.118 +ATOM 32 CA PRO 18 10.225 -5.552 -8.469 +ATOM 33 CB PRO 18 10.881 -5.903 -9.590 +ATOM 34 CA PRO 19 9.632 -1.841 -7.905 +ATOM 35 CB PRO 19 9.422 -2.139 -6.610 +ATOM 36 CA SER 20 13.296 -0.967 -8.411 +ATOM 37 CB SER 20 13.975 -1.710 -7.855 +TER +CONECT 1 3 2 +CONECT 3 5 4 +CONECT 5 7 6 +CONECT 7 9 8 +CONECT 9 11 10 +CONECT 11 13 12 +CONECT 13 15 14 +CONECT 15 17 16 +CONECT 17 19 18 +CONECT 19 20 +CONECT 20 21 +CONECT 21 23 22 +CONECT 23 25 24 +CONECT 25 27 26 +CONECT 27 28 +CONECT 28 30 29 +CONECT 30 32 31 +CONECT 32 34 33 +CONECT 34 35 +CONECT 36 37 diff --git a/examples/unres/CSA/GAB/CSA/global/unrestrained/CLUSTER/1l2y_csa_GB0000002_008.pdb b/examples/unres/CSA/GAB/CSA/global/unrestrained/CLUSTER/1l2y_csa_GB0000002_008.pdb new file mode 100644 index 0000000..a600566 --- /dev/null +++ b/examples/unres/CSA/GAB/CSA/global/unrestrained/CLUSTER/1l2y_csa_GB0000002_008.pdb @@ -0,0 +1,59 @@ +REMARK 1l2y ENERGY -8.66900E+01 +ATOM 1 CA ASN 1 3.800 0.000 0.000 +ATOM 2 CB ASN 1 5.457 0.298 0.035 +ATOM 3 CA LEU 2 4.061 -3.791 0.000 +ATOM 4 CB LEU 2 3.610 -5.676 0.048 +ATOM 5 CA TYR 3 5.199 -3.880 -3.624 +ATOM 6 CB TYR 3 6.531 -1.785 -3.532 +ATOM 7 CA ILE 4 6.775 -7.294 -3.078 +ATOM 8 CB ILE 4 7.930 -7.432 -1.735 +ATOM 9 CA GLN 5 3.477 -8.931 -4.019 +ATOM 10 CB GLN 5 1.632 -7.737 -3.584 +ATOM 11 CA TRP 6 3.200 -6.568 -6.982 +ATOM 12 CB TRP 6 2.142 -6.754 -9.355 +ATOM 13 CA LEU 7 6.832 -7.237 -7.876 +ATOM 14 CB LEU 7 7.586 -5.565 -7.246 +ATOM 15 CA LYS 8 6.090 -10.952 -8.174 +ATOM 16 CB LYS 8 7.255 -11.512 -5.986 +ATOM 17 CA ASP 9 2.746 -10.297 -9.855 +ATOM 18 CB ASP 9 1.721 -10.548 -8.510 +ATOM 19 CA GLY 10 4.383 -8.708 -12.893 +ATOM 20 CA GLY 11 7.343 -6.468 -12.080 +ATOM 21 CA PRO 12 7.146 -4.559 -15.360 +ATOM 22 CB PRO 12 7.210 -5.711 -16.052 +ATOM 23 CA SER 13 3.384 -4.206 -14.959 +ATOM 24 CB SER 13 2.884 -5.225 -14.770 +ATOM 25 CA SER 14 3.843 -3.040 -11.372 +ATOM 26 CB SER 14 4.422 -3.761 -10.688 +ATOM 27 CA GLY 15 6.766 -0.749 -12.178 +ATOM 28 CA ARG 16 7.199 0.477 -8.608 +ATOM 29 CB ARG 16 5.328 -1.590 -7.445 +ATOM 30 CA PRO 17 10.283 0.299 -6.395 +ATOM 31 CB PRO 17 9.997 1.612 -6.352 +ATOM 32 CA PRO 18 10.657 -2.614 -3.984 +ATOM 33 CB PRO 18 11.911 -2.678 -4.464 +ATOM 34 CA PRO 19 10.260 -2.041 -0.248 +ATOM 35 CB PRO 19 9.120 -2.752 -0.321 +ATOM 36 CA SER 20 12.977 -4.540 0.653 +ATOM 37 CB SER 20 12.910 -5.519 0.054 +TER +CONECT 1 3 2 +CONECT 3 5 4 +CONECT 5 7 6 +CONECT 7 9 8 +CONECT 9 11 10 +CONECT 11 13 12 +CONECT 13 15 14 +CONECT 15 17 16 +CONECT 17 19 18 +CONECT 19 20 +CONECT 20 21 +CONECT 21 23 22 +CONECT 23 25 24 +CONECT 25 27 26 +CONECT 27 28 +CONECT 28 30 29 +CONECT 30 32 31 +CONECT 32 34 33 +CONECT 34 35 +CONECT 36 37 diff --git a/examples/unres/CSA/GAB/CSA/global/unrestrained/CLUSTER/1l2y_csa_GB0000002_009.pdb b/examples/unres/CSA/GAB/CSA/global/unrestrained/CLUSTER/1l2y_csa_GB0000002_009.pdb new file mode 100644 index 0000000..2529a86 --- /dev/null +++ b/examples/unres/CSA/GAB/CSA/global/unrestrained/CLUSTER/1l2y_csa_GB0000002_009.pdb @@ -0,0 +1,59 @@ +REMARK 1l2y ENERGY -8.63800E+01 +ATOM 1 CA ASN 1 3.800 0.000 0.000 +ATOM 2 CB ASN 1 5.341 0.589 0.338 +ATOM 3 CA LEU 2 4.047 -3.792 0.000 +ATOM 4 CB LEU 2 3.409 -5.618 0.140 +ATOM 5 CA TYR 3 4.651 -3.949 -3.748 +ATOM 6 CB TYR 3 5.776 -1.756 -3.443 +ATOM 7 CA ILE 4 7.296 -5.705 -5.836 +ATOM 8 CB ILE 4 6.894 -7.333 -6.421 +ATOM 9 CA GLN 5 9.394 -2.550 -6.131 +ATOM 10 CB GLN 5 9.046 -0.338 -6.076 +ATOM 11 CA TRP 6 9.837 -2.460 -2.358 +ATOM 12 CB TRP 6 11.585 -2.283 -0.435 +ATOM 13 CA LEU 7 10.512 -6.200 -2.324 +ATOM 14 CB LEU 7 8.708 -6.747 -1.872 +ATOM 15 CA LYS 8 13.300 -5.714 -4.860 +ATOM 16 CB LYS 8 11.886 -6.293 -6.891 +ATOM 17 CA ASP 9 14.809 -2.969 -2.708 +ATOM 18 CB ASP 9 14.185 -1.486 -3.286 +ATOM 19 CA GLY 10 14.918 -5.260 0.321 +ATOM 20 CA GLY 11 17.209 -3.029 2.374 +ATOM 21 CA PRO 12 16.576 -0.559 5.192 +ATOM 22 CB PRO 12 17.752 -0.931 5.728 +ATOM 23 CA SER 13 13.923 1.349 3.253 +ATOM 24 CB SER 13 13.955 1.299 2.104 +ATOM 25 CA SER 14 11.225 -1.256 3.865 +ATOM 26 CB SER 14 10.254 -1.009 3.299 +ATOM 27 CA GLY 15 11.154 -4.989 3.158 +ATOM 28 CA ARG 16 7.704 -6.572 2.969 +ATOM 29 CB ARG 16 7.700 -4.018 1.356 +ATOM 30 CA PRO 17 6.473 -10.026 1.974 +ATOM 31 CB PRO 17 5.450 -9.603 2.737 +ATOM 32 CA PRO 18 6.443 -10.869 -1.731 +ATOM 33 CB PRO 18 6.922 -12.057 -1.322 +ATOM 34 CA PRO 19 3.093 -10.844 -3.525 +ATOM 35 CB PRO 19 3.440 -9.547 -3.604 +ATOM 36 CA SER 20 4.070 -13.706 -5.826 +ATOM 37 CB SER 20 5.161 -13.655 -6.188 +TER +CONECT 1 3 2 +CONECT 3 5 4 +CONECT 5 7 6 +CONECT 7 9 8 +CONECT 9 11 10 +CONECT 11 13 12 +CONECT 13 15 14 +CONECT 15 17 16 +CONECT 17 19 18 +CONECT 19 20 +CONECT 20 21 +CONECT 21 23 22 +CONECT 23 25 24 +CONECT 25 27 26 +CONECT 27 28 +CONECT 28 30 29 +CONECT 30 32 31 +CONECT 32 34 33 +CONECT 34 35 +CONECT 36 37 diff --git a/examples/unres/CSA/GAB/CSA/global/unrestrained/CLUSTER/1l2y_csa_GB0000002_010.pdb b/examples/unres/CSA/GAB/CSA/global/unrestrained/CLUSTER/1l2y_csa_GB0000002_010.pdb new file mode 100644 index 0000000..45825cb --- /dev/null +++ b/examples/unres/CSA/GAB/CSA/global/unrestrained/CLUSTER/1l2y_csa_GB0000002_010.pdb @@ -0,0 +1,59 @@ +REMARK 1l2y ENERGY -8.63700E+01 +ATOM 1 CA ASN 1 3.800 0.000 0.000 +ATOM 2 CB ASN 1 5.460 0.272 0.071 +ATOM 3 CA LEU 2 4.064 -3.791 0.000 +ATOM 4 CB LEU 2 3.847 -5.711 -0.155 +ATOM 5 CA TYR 3 6.253 -3.737 -3.106 +ATOM 6 CB TYR 3 5.757 -5.644 -4.619 +ATOM 7 CA ILE 4 9.392 -3.524 -0.976 +ATOM 8 CB ILE 4 10.189 -1.992 -0.563 +ATOM 9 CA GLN 5 8.108 -6.333 1.239 +ATOM 10 CB GLN 5 7.241 -4.857 2.684 +ATOM 11 CA TRP 6 6.928 -8.246 -1.825 +ATOM 12 CB TRP 6 6.221 -10.037 -3.579 +ATOM 13 CA LEU 7 10.325 -7.908 -3.495 +ATOM 14 CB LEU 7 10.191 -6.306 -4.580 +ATOM 15 CA LYS 8 12.093 -9.273 -0.421 +ATOM 16 CB LYS 8 9.839 -9.067 0.735 +ATOM 17 CA ASP 9 13.276 -12.173 -2.573 +ATOM 18 CB ASP 9 14.349 -13.118 -1.636 +ATOM 19 CA GLY 10 9.921 -12.272 -4.353 +ATOM 20 CA GLY 11 7.858 -12.680 -1.188 +ATOM 21 CA PRO 12 9.854 -12.585 2.044 +ATOM 22 CB PRO 12 9.028 -13.506 2.572 +ATOM 23 CA SER 13 12.494 -14.948 0.671 +ATOM 24 CB SER 13 12.845 -15.776 1.388 +ATOM 25 CA SER 14 9.936 -17.020 -1.226 +ATOM 26 CB SER 14 8.921 -16.745 -0.760 +ATOM 27 CA GLY 15 8.761 -16.945 -4.839 +ATOM 28 CA ARG 16 5.198 -15.892 -4.040 +ATOM 29 CB ARG 16 4.378 -13.518 -2.363 +ATOM 30 CA PRO 17 2.618 -14.418 -6.408 +ATOM 31 CB PRO 17 1.825 -15.077 -5.545 +ATOM 32 CA PRO 18 2.996 -10.766 -7.391 +ATOM 33 CB PRO 18 2.672 -11.216 -8.617 +ATOM 34 CA PRO 19 0.641 -8.231 -5.823 +ATOM 35 CB PRO 19 1.595 -8.289 -4.876 +ATOM 36 CA SER 20 -0.868 -5.568 -8.075 +ATOM 37 CB SER 20 -2.015 -5.545 -7.998 +TER +CONECT 1 3 2 +CONECT 3 5 4 +CONECT 5 7 6 +CONECT 7 9 8 +CONECT 9 11 10 +CONECT 11 13 12 +CONECT 13 15 14 +CONECT 15 17 16 +CONECT 17 19 18 +CONECT 19 20 +CONECT 20 21 +CONECT 21 23 22 +CONECT 23 25 24 +CONECT 25 27 26 +CONECT 27 28 +CONECT 28 30 29 +CONECT 30 32 31 +CONECT 32 34 33 +CONECT 34 35 +CONECT 36 37 diff --git a/examples/unres/CSA/GAB/CSA/global/unrestrained/CLUSTER/1l2y_csa_GB0000002_011.pdb b/examples/unres/CSA/GAB/CSA/global/unrestrained/CLUSTER/1l2y_csa_GB0000002_011.pdb new file mode 100644 index 0000000..d1da803 --- /dev/null +++ b/examples/unres/CSA/GAB/CSA/global/unrestrained/CLUSTER/1l2y_csa_GB0000002_011.pdb @@ -0,0 +1,59 @@ +REMARK 1l2y ENERGY -8.62400E+01 +ATOM 1 CA ASN 1 3.800 0.000 0.000 +ATOM 2 CB ASN 1 5.417 0.396 0.253 +ATOM 3 CA LEU 2 4.056 -3.791 0.000 +ATOM 4 CB LEU 2 3.763 -5.705 0.117 +ATOM 5 CA TYR 3 4.171 -3.906 -3.797 +ATOM 6 CB TYR 3 3.913 -1.641 -4.785 +ATOM 7 CA ILE 4 7.960 -3.627 -3.715 +ATOM 8 CB ILE 4 8.932 -2.343 -4.464 +ATOM 9 CA GLN 5 8.139 -6.452 -1.180 +ATOM 10 CB GLN 5 8.141 -5.385 0.789 +ATOM 11 CA TRP 6 5.364 -8.290 -3.013 +ATOM 12 CB TRP 6 4.666 -10.743 -2.480 +ATOM 13 CA LEU 7 7.050 -7.653 -6.357 +ATOM 14 CB LEU 7 6.389 -5.952 -7.011 +ATOM 15 CA LYS 8 10.416 -8.690 -4.929 +ATOM 16 CB LYS 8 11.584 -6.433 -4.938 +ATOM 17 CA ASP 9 8.878 -11.737 -3.259 +ATOM 18 CB ASP 9 8.167 -12.749 -2.080 +ATOM 19 CA GLY 10 7.003 -12.776 -6.398 +ATOM 20 CA GLY 11 4.932 -15.412 -4.608 +ATOM 21 CA PRO 12 1.225 -16.217 -4.820 +ATOM 22 CB PRO 12 1.230 -16.427 -3.491 +ATOM 23 CA SER 13 0.204 -12.572 -5.152 +ATOM 24 CB SER 13 0.915 -11.839 -4.623 +ATOM 25 CA SER 14 0.130 -10.554 -8.371 +ATOM 26 CB SER 14 -0.825 -9.918 -8.438 +ATOM 27 CA GLY 15 2.496 -7.796 -9.480 +ATOM 28 CA ARG 16 1.870 -4.216 -8.369 +ATOM 29 CB ARG 16 2.165 -5.915 -5.889 +ATOM 30 CA PRO 17 3.661 -1.033 -9.416 +ATOM 31 CB PRO 17 2.409 -0.572 -9.251 +ATOM 32 CA PRO 18 6.877 -0.027 -7.659 +ATOM 33 CB PRO 18 7.340 0.171 -8.906 +ATOM 34 CA PRO 19 6.835 2.976 -5.331 +ATOM 35 CB PRO 19 6.837 2.043 -4.362 +ATOM 36 CA SER 20 10.163 4.285 -6.615 +ATOM 37 CB SER 20 10.747 3.511 -7.233 +TER +CONECT 1 3 2 +CONECT 3 5 4 +CONECT 5 7 6 +CONECT 7 9 8 +CONECT 9 11 10 +CONECT 11 13 12 +CONECT 13 15 14 +CONECT 15 17 16 +CONECT 17 19 18 +CONECT 19 20 +CONECT 20 21 +CONECT 21 23 22 +CONECT 23 25 24 +CONECT 25 27 26 +CONECT 27 28 +CONECT 28 30 29 +CONECT 30 32 31 +CONECT 32 34 33 +CONECT 34 35 +CONECT 36 37 diff --git a/examples/unres/CSA/GAB/CSA/global/unrestrained/CLUSTER/1l2y_csa_GB0000002_012.pdb b/examples/unres/CSA/GAB/CSA/global/unrestrained/CLUSTER/1l2y_csa_GB0000002_012.pdb new file mode 100644 index 0000000..e9b9bfc --- /dev/null +++ b/examples/unres/CSA/GAB/CSA/global/unrestrained/CLUSTER/1l2y_csa_GB0000002_012.pdb @@ -0,0 +1,59 @@ +REMARK 1l2y ENERGY -8.61900E+01 +ATOM 1 CA ASN 1 3.800 0.000 0.000 +ATOM 2 CB ASN 1 5.380 0.510 0.284 +ATOM 3 CA LEU 2 4.051 -3.792 0.000 +ATOM 4 CB LEU 2 3.052 -5.415 -0.357 +ATOM 5 CA TYR 3 4.787 -3.880 -3.727 +ATOM 6 CB TYR 3 6.360 -2.057 -3.117 +ATOM 7 CA ILE 4 7.592 -6.380 -3.157 +ATOM 8 CB ILE 4 9.192 -5.900 -2.554 +ATOM 9 CA GLN 5 5.174 -8.771 -1.461 +ATOM 10 CB GLN 5 6.334 -8.405 0.420 +ATOM 11 CA TRP 6 2.593 -8.034 -4.150 +ATOM 12 CB TRP 6 1.004 -7.259 -6.064 +ATOM 13 CA LEU 7 5.225 -8.625 -6.826 +ATOM 14 CB LEU 7 5.926 -6.986 -7.588 +ATOM 15 CA LYS 8 6.139 -11.947 -5.224 +ATOM 16 CB LYS 8 8.258 -11.002 -4.188 +ATOM 17 CA ASP 9 2.479 -12.865 -4.768 +ATOM 18 CB ASP 9 1.988 -11.754 -3.565 +ATOM 19 CA GLY 10 2.041 -13.427 -8.500 +ATOM 20 CA GLY 11 0.693 -9.936 -9.163 +ATOM 21 CA PRO 12 1.550 -7.201 -11.657 +ATOM 22 CB PRO 12 2.073 -6.346 -10.761 +ATOM 23 CA SER 13 5.092 -7.613 -12.970 +ATOM 24 CB SER 13 5.201 -7.883 -14.083 +ATOM 25 CA SER 14 5.692 -3.872 -13.256 +ATOM 26 CB SER 14 4.821 -3.301 -12.768 +ATOM 27 CA GLY 15 8.322 -2.566 -10.845 +ATOM 28 CA ARG 16 7.564 -0.432 -7.793 +ATOM 29 CB ARG 16 5.135 -2.124 -7.197 +ATOM 30 CA PRO 17 10.025 0.825 -5.185 +ATOM 31 CB PRO 17 9.240 1.903 -5.361 +ATOM 32 CA PRO 18 11.062 -1.656 -2.500 +ATOM 33 CB PRO 18 12.301 -1.152 -2.641 +ATOM 34 CA PRO 19 9.835 -1.362 1.085 +ATOM 35 CB PRO 19 8.876 -2.231 0.718 +ATOM 36 CA SER 20 13.083 -2.726 2.510 +ATOM 37 CB SER 20 13.616 -3.420 1.764 +TER +CONECT 1 3 2 +CONECT 3 5 4 +CONECT 5 7 6 +CONECT 7 9 8 +CONECT 9 11 10 +CONECT 11 13 12 +CONECT 13 15 14 +CONECT 15 17 16 +CONECT 17 19 18 +CONECT 19 20 +CONECT 20 21 +CONECT 21 23 22 +CONECT 23 25 24 +CONECT 25 27 26 +CONECT 27 28 +CONECT 28 30 29 +CONECT 30 32 31 +CONECT 32 34 33 +CONECT 34 35 +CONECT 36 37 diff --git a/examples/unres/CSA/GAB/CSA/global/unrestrained/CLUSTER/1l2y_csa_GB0000002_013.pdb b/examples/unres/CSA/GAB/CSA/global/unrestrained/CLUSTER/1l2y_csa_GB0000002_013.pdb new file mode 100644 index 0000000..65975e4 --- /dev/null +++ b/examples/unres/CSA/GAB/CSA/global/unrestrained/CLUSTER/1l2y_csa_GB0000002_013.pdb @@ -0,0 +1,59 @@ +REMARK 1l2y ENERGY -8.59500E+01 +ATOM 1 CA ASN 1 3.800 0.000 0.000 +ATOM 2 CB ASN 1 5.387 0.439 0.351 +ATOM 3 CA LEU 2 4.053 -3.792 0.000 +ATOM 4 CB LEU 2 3.545 -5.639 0.296 +ATOM 5 CA TYR 3 5.011 -3.939 -3.674 +ATOM 6 CB TYR 3 5.658 -1.552 -3.437 +ATOM 7 CA ILE 4 8.278 -5.073 -5.249 +ATOM 8 CB ILE 4 8.158 -6.488 -6.316 +ATOM 9 CA GLN 5 9.466 -1.481 -5.601 +ATOM 10 CB GLN 5 7.787 -0.492 -6.707 +ATOM 11 CA TRP 6 9.406 -1.091 -1.822 +ATOM 12 CB TRP 6 10.542 -0.418 0.424 +ATOM 13 CA LEU 7 10.874 -4.575 -1.435 +ATOM 14 CB LEU 7 9.294 -5.506 -0.804 +ATOM 15 CA LYS 8 13.974 -3.447 -3.321 +ATOM 16 CB LYS 8 13.244 -4.759 -5.371 +ATOM 17 CA ASP 9 14.019 -0.141 -1.449 +ATOM 18 CB ASP 9 13.036 0.874 -2.409 +ATOM 19 CA GLY 10 14.730 -1.921 1.832 +ATOM 20 CA GLY 11 11.934 -4.248 2.934 +ATOM 21 CA PRO 12 13.612 -5.009 6.257 +ATOM 22 CB PRO 12 14.757 -5.293 5.610 +ATOM 23 CA SER 13 14.077 -1.282 6.832 +ATOM 24 CB SER 13 14.444 -0.736 5.889 +ATOM 25 CA SER 14 10.334 -0.820 6.365 +ATOM 26 CB SER 14 9.923 -1.224 5.370 +ATOM 27 CA GLY 15 9.451 -4.067 8.132 +ATOM 28 CA ARG 16 7.090 -5.248 5.399 +ATOM 29 CB ARG 16 7.129 -3.671 2.824 +ATOM 30 CA PRO 17 5.952 -8.655 4.160 +ATOM 31 CB PRO 17 4.765 -8.070 4.399 +ATOM 32 CA PRO 18 7.248 -9.929 0.823 +ATOM 33 CB PRO 18 7.626 -10.983 1.569 +ATOM 34 CA PRO 19 4.979 -10.251 -2.208 +ATOM 35 CB PRO 19 5.375 -9.028 -2.602 +ATOM 36 CA SER 20 7.361 -12.556 -4.066 +ATOM 37 CB SER 20 7.797 -11.695 -4.691 +TER +CONECT 1 3 2 +CONECT 3 5 4 +CONECT 5 7 6 +CONECT 7 9 8 +CONECT 9 11 10 +CONECT 11 13 12 +CONECT 13 15 14 +CONECT 15 17 16 +CONECT 17 19 18 +CONECT 19 20 +CONECT 20 21 +CONECT 21 23 22 +CONECT 23 25 24 +CONECT 25 27 26 +CONECT 27 28 +CONECT 28 30 29 +CONECT 30 32 31 +CONECT 32 34 33 +CONECT 34 35 +CONECT 36 37 diff --git a/examples/unres/CSA/GAB/CSA/global/unrestrained/CLUSTER/1l2y_csa_GB0000002_014.pdb b/examples/unres/CSA/GAB/CSA/global/unrestrained/CLUSTER/1l2y_csa_GB0000002_014.pdb new file mode 100644 index 0000000..b597fd2 --- /dev/null +++ b/examples/unres/CSA/GAB/CSA/global/unrestrained/CLUSTER/1l2y_csa_GB0000002_014.pdb @@ -0,0 +1,59 @@ +REMARK 1l2y ENERGY -8.59000E+01 +ATOM 1 CA ASN 1 3.800 0.000 0.000 +ATOM 2 CB ASN 1 5.450 0.295 0.164 +ATOM 3 CA LEU 2 4.061 -3.791 0.000 +ATOM 4 CB LEU 2 3.690 -5.691 -0.112 +ATOM 5 CA TYR 3 5.392 -3.814 -3.559 +ATOM 6 CB TYR 3 5.314 -1.523 -4.517 +ATOM 7 CA ILE 4 8.859 -2.774 -2.403 +ATOM 8 CB ILE 4 9.324 -1.068 -2.568 +ATOM 9 CA GLN 5 8.775 -5.276 0.455 +ATOM 10 CB GLN 5 7.660 -3.937 1.863 +ATOM 11 CA TRP 6 7.013 -7.824 -1.746 +ATOM 12 CB TRP 6 6.770 -10.123 -0.545 +ATOM 13 CA LEU 7 9.360 -7.137 -4.655 +ATOM 14 CB LEU 7 8.397 -5.854 -5.745 +ATOM 15 CA LYS 8 12.372 -7.285 -2.343 +ATOM 16 CB LYS 8 12.069 -5.272 -0.821 +ATOM 17 CA ASP 9 12.200 -11.079 -2.235 +ATOM 18 CB ASP 9 10.929 -11.559 -1.197 +ATOM 19 CA GLY 10 10.086 -11.345 -5.381 +ATOM 20 CA GLY 11 7.037 -12.633 -3.515 +ATOM 21 CA PRO 12 3.243 -12.568 -3.707 +ATOM 22 CB PRO 12 3.143 -12.011 -2.487 +ATOM 23 CA SER 13 3.099 -8.998 -5.002 +ATOM 24 CB SER 13 3.962 -8.384 -4.553 +ATOM 25 CA SER 14 3.285 -7.753 -8.587 +ATOM 26 CB SER 14 2.419 -7.033 -8.820 +ATOM 27 CA GLY 15 5.980 -5.646 -10.242 +ATOM 28 CA ARG 16 4.616 -2.311 -9.035 +ATOM 29 CB ARG 16 3.464 -4.008 -6.818 +ATOM 30 CA PRO 17 6.245 1.122 -9.030 +ATOM 31 CB PRO 17 4.971 1.431 -9.332 +ATOM 32 CA PRO 18 8.569 2.029 -6.163 +ATOM 33 CB PRO 18 9.377 2.540 -7.109 +ATOM 34 CA PRO 19 7.538 4.610 -3.572 +ATOM 35 CB PRO 19 6.675 3.661 -3.165 +ATOM 36 CA SER 20 10.947 6.288 -3.538 +ATOM 37 CB SER 20 11.787 5.572 -3.862 +TER +CONECT 1 3 2 +CONECT 3 5 4 +CONECT 5 7 6 +CONECT 7 9 8 +CONECT 9 11 10 +CONECT 11 13 12 +CONECT 13 15 14 +CONECT 15 17 16 +CONECT 17 19 18 +CONECT 19 20 +CONECT 20 21 +CONECT 21 23 22 +CONECT 23 25 24 +CONECT 25 27 26 +CONECT 27 28 +CONECT 28 30 29 +CONECT 30 32 31 +CONECT 32 34 33 +CONECT 34 35 +CONECT 36 37 diff --git a/examples/unres/CSA/GAB/CSA/global/unrestrained/CLUSTER/1l2y_csa_GB0000002_015.pdb b/examples/unres/CSA/GAB/CSA/global/unrestrained/CLUSTER/1l2y_csa_GB0000002_015.pdb new file mode 100644 index 0000000..a9ebf5a --- /dev/null +++ b/examples/unres/CSA/GAB/CSA/global/unrestrained/CLUSTER/1l2y_csa_GB0000002_015.pdb @@ -0,0 +1,59 @@ +REMARK 1l2y ENERGY -8.56900E+01 +ATOM 1 CA ASN 1 3.800 0.000 0.000 +ATOM 2 CB ASN 1 5.432 0.393 0.139 +ATOM 3 CA LEU 2 4.058 -3.791 0.000 +ATOM 4 CB LEU 2 4.129 -5.719 -0.196 +ATOM 5 CA TYR 3 6.111 -3.734 -3.197 +ATOM 6 CB TYR 3 5.912 -1.286 -3.567 +ATOM 7 CA ILE 4 9.299 -3.431 -1.150 +ATOM 8 CB ILE 4 10.045 -1.878 -0.721 +ATOM 9 CA GLN 5 8.200 -6.423 0.920 +ATOM 10 CB GLN 5 7.546 -5.081 2.590 +ATOM 11 CA TRP 6 7.159 -8.241 -2.251 +ATOM 12 CB TRP 6 6.972 -10.825 -2.526 +ATOM 13 CA LEU 7 10.387 -7.198 -3.965 +ATOM 14 CB LEU 7 9.544 -5.838 -5.061 +ATOM 15 CA LYS 8 12.421 -8.496 -1.029 +ATOM 16 CB LYS 8 13.062 -6.172 -0.226 +ATOM 17 CA ASP 9 10.143 -11.499 -0.545 +ATOM 18 CB ASP 9 9.138 -10.915 0.708 +ATOM 19 CA GLY 10 11.070 -12.956 -3.930 +ATOM 20 CA GLY 11 11.211 -10.524 -6.846 +ATOM 21 CA PRO 12 10.610 -13.262 -9.412 +ATOM 22 CB PRO 12 11.655 -13.956 -8.928 +ATOM 23 CA SER 13 7.794 -14.638 -7.263 +ATOM 24 CB SER 13 8.090 -14.795 -6.162 +ATOM 25 CA SER 14 6.348 -11.138 -6.956 +ATOM 26 CB SER 14 7.054 -10.343 -6.518 +ATOM 27 CA GLY 15 6.754 -10.391 -10.659 +ATOM 28 CA ARG 16 5.801 -6.726 -10.340 +ATOM 29 CB ARG 16 5.591 -6.836 -7.329 +ATOM 30 CA PRO 17 7.891 -3.693 -11.274 +ATOM 31 CB PRO 17 6.649 -3.236 -11.511 +ATOM 32 CA PRO 18 10.563 -2.536 -8.832 +ATOM 33 CB PRO 18 11.344 -2.485 -9.926 +ATOM 34 CA PRO 19 10.038 0.678 -6.874 +ATOM 35 CB PRO 19 9.749 -0.170 -5.872 +ATOM 36 CA SER 20 13.682 1.713 -7.180 +ATOM 37 CB SER 20 14.403 0.826 -7.310 +TER +CONECT 1 3 2 +CONECT 3 5 4 +CONECT 5 7 6 +CONECT 7 9 8 +CONECT 9 11 10 +CONECT 11 13 12 +CONECT 13 15 14 +CONECT 15 17 16 +CONECT 17 19 18 +CONECT 19 20 +CONECT 20 21 +CONECT 21 23 22 +CONECT 23 25 24 +CONECT 25 27 26 +CONECT 27 28 +CONECT 28 30 29 +CONECT 30 32 31 +CONECT 32 34 33 +CONECT 34 35 +CONECT 36 37 diff --git a/examples/unres/CSA/GAB/CSA/global/unrestrained/CLUSTER/1l2y_csa_GB0000002_016.pdb b/examples/unres/CSA/GAB/CSA/global/unrestrained/CLUSTER/1l2y_csa_GB0000002_016.pdb new file mode 100644 index 0000000..b3dfa77 --- /dev/null +++ b/examples/unres/CSA/GAB/CSA/global/unrestrained/CLUSTER/1l2y_csa_GB0000002_016.pdb @@ -0,0 +1,59 @@ +REMARK 1l2y ENERGY -8.55800E+01 +ATOM 1 CA ASN 1 3.800 0.000 0.000 +ATOM 2 CB ASN 1 5.380 0.509 0.283 +ATOM 3 CA LEU 2 4.051 -3.792 0.000 +ATOM 4 CB LEU 2 2.997 -5.369 -0.402 +ATOM 5 CA TYR 3 4.785 -3.880 -3.727 +ATOM 6 CB TYR 3 6.284 -1.974 -3.190 +ATOM 7 CA ILE 4 7.608 -6.361 -3.165 +ATOM 8 CB ILE 4 9.254 -5.893 -2.691 +ATOM 9 CA GLN 5 5.148 -8.723 -1.488 +ATOM 10 CB GLN 5 6.276 -8.262 0.391 +ATOM 11 CA TRP 6 2.596 -7.911 -4.184 +ATOM 12 CB TRP 6 0.477 -8.076 -5.690 +ATOM 13 CA LEU 7 5.163 -8.736 -6.862 +ATOM 14 CB LEU 7 6.189 -7.189 -7.422 +ATOM 15 CA LYS 8 6.088 -11.939 -5.037 +ATOM 16 CB LYS 8 8.249 -10.987 -4.099 +ATOM 17 CA ASP 9 2.439 -12.841 -4.481 +ATOM 18 CB ASP 9 1.903 -11.672 -3.355 +ATOM 19 CA GLY 10 1.986 -13.946 -8.088 +ATOM 20 CA GLY 11 -0.334 -11.087 -9.025 +ATOM 21 CA PRO 12 0.101 -8.115 -11.352 +ATOM 22 CB PRO 12 -1.230 -8.044 -11.176 +ATOM 23 CA SER 13 3.465 -6.360 -11.146 +ATOM 24 CB SER 13 4.277 -7.148 -11.352 +ATOM 25 CA SER 14 4.176 -2.704 -11.905 +ATOM 26 CB SER 14 3.696 -2.019 -11.116 +ATOM 27 CA GLY 15 7.651 -1.213 -11.534 +ATOM 28 CA ARG 16 7.180 -0.079 -7.938 +ATOM 29 CB ARG 16 5.242 -2.309 -7.312 +ATOM 30 CA PRO 17 9.800 0.958 -5.389 +ATOM 31 CB PRO 17 9.074 2.083 -5.509 +ATOM 32 CA PRO 18 10.893 -1.637 -2.837 +ATOM 33 CB PRO 18 12.136 -1.164 -3.034 +ATOM 34 CA PRO 19 9.811 -1.385 0.797 +ATOM 35 CB PRO 19 8.850 -2.271 0.481 +ATOM 36 CA SER 20 13.123 -2.727 2.089 +ATOM 37 CB SER 20 13.660 -3.397 1.323 +TER +CONECT 1 3 2 +CONECT 3 5 4 +CONECT 5 7 6 +CONECT 7 9 8 +CONECT 9 11 10 +CONECT 11 13 12 +CONECT 13 15 14 +CONECT 15 17 16 +CONECT 17 19 18 +CONECT 19 20 +CONECT 20 21 +CONECT 21 23 22 +CONECT 23 25 24 +CONECT 25 27 26 +CONECT 27 28 +CONECT 28 30 29 +CONECT 30 32 31 +CONECT 32 34 33 +CONECT 34 35 +CONECT 36 37 diff --git a/examples/unres/CSA/GAB/CSA/global/unrestrained/CLUSTER/1l2y_csa_GB0000002_017.pdb b/examples/unres/CSA/GAB/CSA/global/unrestrained/CLUSTER/1l2y_csa_GB0000002_017.pdb new file mode 100644 index 0000000..4eb3c4f --- /dev/null +++ b/examples/unres/CSA/GAB/CSA/global/unrestrained/CLUSTER/1l2y_csa_GB0000002_017.pdb @@ -0,0 +1,59 @@ +REMARK 1l2y ENERGY -8.55800E+01 +ATOM 1 CA ASN 1 3.800 0.000 0.000 +ATOM 2 CB ASN 1 5.465 0.246 0.043 +ATOM 3 CA LEU 2 4.063 -3.791 0.000 +ATOM 4 CB LEU 2 3.667 -5.687 0.082 +ATOM 5 CA TYR 3 5.265 -3.867 -3.604 +ATOM 6 CB TYR 3 7.081 -2.224 -3.191 +ATOM 7 CA ILE 4 7.168 -7.085 -2.919 +ATOM 8 CB ILE 4 8.362 -7.100 -1.604 +ATOM 9 CA GLN 5 4.061 -9.038 -3.905 +ATOM 10 CB GLN 5 2.121 -7.952 -3.629 +ATOM 11 CA TRP 6 3.637 -6.764 -6.920 +ATOM 12 CB TRP 6 2.558 -7.117 -9.265 +ATOM 13 CA LEU 7 7.309 -7.186 -7.802 +ATOM 14 CB LEU 7 8.366 -5.812 -6.933 +ATOM 15 CA LYS 8 6.994 -10.951 -7.398 +ATOM 16 CB LYS 8 8.086 -11.071 -5.107 +ATOM 17 CA ASP 9 3.844 -10.966 -9.523 +ATOM 18 CB ASP 9 2.525 -10.970 -8.435 +ATOM 19 CA GLY 10 5.537 -8.994 -12.295 +ATOM 20 CA GLY 11 2.649 -9.327 -14.742 +ATOM 21 CA PRO 12 1.281 -6.521 -16.909 +ATOM 22 CB PRO 12 0.040 -6.865 -16.521 +ATOM 23 CA SER 13 2.103 -3.811 -14.376 +ATOM 24 CB SER 13 2.041 -4.123 -13.270 +ATOM 25 CA SER 14 5.503 -2.171 -13.940 +ATOM 26 CB SER 14 5.390 -1.036 -13.789 +ATOM 27 CA GLY 15 8.116 -2.666 -11.226 +ATOM 28 CA ARG 16 8.432 -0.794 -7.935 +ATOM 29 CB ARG 16 5.940 -2.342 -7.218 +ATOM 30 CA PRO 17 11.277 -1.016 -5.424 +ATOM 31 CB PRO 17 11.219 0.306 -5.666 +ATOM 32 CA PRO 18 11.122 -3.665 -2.704 +ATOM 33 CB PRO 18 12.439 -3.746 -2.445 +ATOM 34 CA PRO 19 10.444 -2.244 0.755 +ATOM 35 CB PRO 19 9.227 -2.789 0.586 +ATOM 36 CA SER 20 13.067 -4.449 2.397 +ATOM 37 CB SER 20 13.462 -5.263 1.687 +TER +CONECT 1 3 2 +CONECT 3 5 4 +CONECT 5 7 6 +CONECT 7 9 8 +CONECT 9 11 10 +CONECT 11 13 12 +CONECT 13 15 14 +CONECT 15 17 16 +CONECT 17 19 18 +CONECT 19 20 +CONECT 20 21 +CONECT 21 23 22 +CONECT 23 25 24 +CONECT 25 27 26 +CONECT 27 28 +CONECT 28 30 29 +CONECT 30 32 31 +CONECT 32 34 33 +CONECT 34 35 +CONECT 36 37 diff --git a/examples/unres/CSA/GAB/CSA/global/unrestrained/CLUSTER/1l2y_csa_GB0000002_018.pdb b/examples/unres/CSA/GAB/CSA/global/unrestrained/CLUSTER/1l2y_csa_GB0000002_018.pdb new file mode 100644 index 0000000..6b85595 --- /dev/null +++ b/examples/unres/CSA/GAB/CSA/global/unrestrained/CLUSTER/1l2y_csa_GB0000002_018.pdb @@ -0,0 +1,59 @@ +REMARK 1l2y ENERGY -8.55400E+01 +ATOM 1 CA ASN 1 3.800 0.000 0.000 +ATOM 2 CB ASN 1 5.315 0.663 0.320 +ATOM 3 CA LEU 2 4.044 -3.792 0.000 +ATOM 4 CB LEU 2 3.515 -5.652 0.143 +ATOM 5 CA TYR 3 4.932 -3.947 -3.692 +ATOM 6 CB TYR 3 5.949 -1.712 -3.321 +ATOM 7 CA ILE 4 7.844 -5.646 -5.444 +ATOM 8 CB ILE 4 7.506 -7.284 -6.043 +ATOM 9 CA GLN 5 9.769 -2.393 -5.827 +ATOM 10 CB GLN 5 9.569 -0.183 -5.518 +ATOM 11 CA TRP 6 9.529 -1.774 -2.085 +ATOM 12 CB TRP 6 10.320 0.366 -0.828 +ATOM 13 CA LEU 7 10.361 -5.413 -1.374 +ATOM 14 CB LEU 7 8.708 -6.426 -1.322 +ATOM 15 CA LYS 8 13.502 -5.157 -3.497 +ATOM 16 CB LYS 8 12.478 -6.027 -5.653 +ATOM 17 CA ASP 9 14.743 -2.131 -1.562 +ATOM 18 CB ASP 9 13.910 -0.830 -2.292 +ATOM 19 CA GLY 10 16.356 -4.219 1.173 +ATOM 20 CA GLY 11 15.831 -5.149 4.820 +ATOM 21 CA PRO 12 16.745 -1.699 6.125 +ATOM 22 CB PRO 12 17.982 -1.816 5.610 +ATOM 23 CA SER 13 14.979 0.039 3.245 +ATOM 24 CB SER 13 15.182 -0.372 2.190 +ATOM 25 CA SER 14 11.753 -1.902 3.761 +ATOM 26 CB SER 14 11.014 -1.734 2.896 +ATOM 27 CA GLY 15 11.155 -5.654 3.819 +ATOM 28 CA ARG 16 7.493 -6.651 3.629 +ATOM 29 CB ARG 16 7.463 -4.163 1.917 +ATOM 30 CA PRO 17 5.951 -9.995 2.692 +ATOM 31 CB PRO 17 4.945 -9.432 3.384 +ATOM 32 CA PRO 18 6.155 -10.937 -0.984 +ATOM 33 CB PRO 18 6.492 -12.151 -0.512 +ATOM 34 CA PRO 19 3.064 -10.691 -3.180 +ATOM 35 CB PRO 19 3.601 -9.481 -3.417 +ATOM 36 CA SER 20 4.119 -13.609 -5.374 +ATOM 37 CB SER 20 5.172 -13.486 -5.820 +TER +CONECT 1 3 2 +CONECT 3 5 4 +CONECT 5 7 6 +CONECT 7 9 8 +CONECT 9 11 10 +CONECT 11 13 12 +CONECT 13 15 14 +CONECT 15 17 16 +CONECT 17 19 18 +CONECT 19 20 +CONECT 20 21 +CONECT 21 23 22 +CONECT 23 25 24 +CONECT 25 27 26 +CONECT 27 28 +CONECT 28 30 29 +CONECT 30 32 31 +CONECT 32 34 33 +CONECT 34 35 +CONECT 36 37 diff --git a/examples/unres/CSA/GAB/CSA/global/unrestrained/CLUSTER/1l2y_csa_GB0000002_019.pdb b/examples/unres/CSA/GAB/CSA/global/unrestrained/CLUSTER/1l2y_csa_GB0000002_019.pdb new file mode 100644 index 0000000..fec66c3 --- /dev/null +++ b/examples/unres/CSA/GAB/CSA/global/unrestrained/CLUSTER/1l2y_csa_GB0000002_019.pdb @@ -0,0 +1,59 @@ +REMARK 1l2y ENERGY -8.52600E+01 +ATOM 1 CA ASN 1 3.800 0.000 0.000 +ATOM 2 CB ASN 1 4.292 0.100 1.607 +ATOM 3 CA LEU 2 4.046 -3.792 0.000 +ATOM 4 CB LEU 2 4.371 -5.585 0.664 +ATOM 5 CA TYR 3 0.568 -4.210 -1.471 +ATOM 6 CB TYR 3 -0.233 -2.477 -3.061 +ATOM 7 CA ILE 4 1.048 -7.961 -1.848 +ATOM 8 CB ILE 4 2.437 -8.334 -2.889 +ATOM 9 CA GLN 5 -0.044 -8.523 1.748 +ATOM 10 CB GLN 5 1.268 -7.684 3.358 +ATOM 11 CA TRP 6 -3.036 -6.240 1.221 +ATOM 12 CB TRP 6 -0.966 -4.765 1.793 +ATOM 13 CA LEU 7 -3.777 -7.998 -2.066 +ATOM 14 CB LEU 7 -3.070 -6.743 -3.364 +ATOM 15 CA LYS 8 -3.854 -11.337 -0.254 +ATOM 16 CB LYS 8 -1.430 -11.931 -0.732 +ATOM 17 CA ASP 9 -6.367 -9.985 2.256 +ATOM 18 CB ASP 9 -5.622 -8.730 3.146 +ATOM 19 CA GLY 10 -9.217 -10.228 -0.245 +ATOM 20 CA GLY 11 -11.206 -7.854 -2.446 +ATOM 21 CA PRO 12 -13.291 -6.481 0.419 +ATOM 22 CB PRO 12 -13.823 -7.698 0.634 +ATOM 23 CA SER 13 -10.344 -6.581 2.816 +ATOM 24 CB SER 13 -9.720 -7.547 2.811 +ATOM 25 CA SER 14 -8.123 -4.567 0.482 +ATOM 26 CB SER 14 -7.014 -4.716 0.746 +ATOM 27 CA GLY 15 -7.364 -5.011 -3.215 +ATOM 28 CA ARG 16 -4.703 -2.647 -4.545 +ATOM 29 CB ARG 16 -4.033 -2.591 -1.601 +ATOM 30 CA PRO 17 -2.474 -3.143 -7.582 +ATOM 31 CB PRO 17 -2.878 -1.874 -7.775 +ATOM 32 CA PRO 18 0.527 -5.397 -6.992 +ATOM 33 CB PRO 18 0.304 -5.864 -8.233 +ATOM 34 CA PRO 19 4.005 -3.919 -6.590 +ATOM 35 CB PRO 19 3.757 -4.152 -5.289 +ATOM 36 CA SER 20 5.674 -6.794 -8.431 +ATOM 37 CB SER 20 5.186 -7.812 -8.213 +TER +CONECT 1 3 2 +CONECT 3 5 4 +CONECT 5 7 6 +CONECT 7 9 8 +CONECT 9 11 10 +CONECT 11 13 12 +CONECT 13 15 14 +CONECT 15 17 16 +CONECT 17 19 18 +CONECT 19 20 +CONECT 20 21 +CONECT 21 23 22 +CONECT 23 25 24 +CONECT 25 27 26 +CONECT 27 28 +CONECT 28 30 29 +CONECT 30 32 31 +CONECT 32 34 33 +CONECT 34 35 +CONECT 36 37 diff --git a/examples/unres/CSA/GAB/CSA/global/unrestrained/CLUSTER/1l2y_csa_GB0000002_020.pdb b/examples/unres/CSA/GAB/CSA/global/unrestrained/CLUSTER/1l2y_csa_GB0000002_020.pdb new file mode 100644 index 0000000..5e3361b --- /dev/null +++ b/examples/unres/CSA/GAB/CSA/global/unrestrained/CLUSTER/1l2y_csa_GB0000002_020.pdb @@ -0,0 +1,59 @@ +REMARK 1l2y ENERGY -8.52100E+01 +ATOM 1 CA ASN 1 3.800 0.000 0.000 +ATOM 2 CB ASN 1 5.360 0.513 0.373 +ATOM 3 CA LEU 2 4.050 -3.792 0.000 +ATOM 4 CB LEU 2 3.557 -5.642 0.308 +ATOM 5 CA TYR 3 4.753 -3.957 -3.731 +ATOM 6 CB TYR 3 5.623 -1.653 -3.408 +ATOM 7 CA ILE 4 7.816 -5.268 -5.558 +ATOM 8 CB ILE 4 7.510 -6.685 -6.584 +ATOM 9 CA GLN 5 9.071 -1.742 -6.217 +ATOM 10 CB GLN 5 7.275 -0.594 -6.907 +ATOM 11 CA TRP 6 9.397 -1.117 -2.483 +ATOM 12 CB TRP 6 10.385 0.212 -0.472 +ATOM 13 CA LEU 7 10.830 -4.601 -1.981 +ATOM 14 CB LEU 7 9.268 -5.493 -1.257 +ATOM 15 CA LYS 8 13.548 -3.859 -4.531 +ATOM 16 CB LYS 8 12.565 -5.427 -6.273 +ATOM 17 CA ASP 9 13.990 -0.328 -3.198 +ATOM 18 CB ASP 9 12.714 0.569 -3.898 +ATOM 19 CA GLY 10 15.549 -1.610 0.021 +ATOM 20 CA GLY 11 13.929 -4.710 1.506 +ATOM 21 CA PRO 12 15.184 -3.909 5.002 +ATOM 22 CB PRO 12 16.441 -3.810 4.533 +ATOM 23 CA SER 13 13.985 -0.326 4.589 +ATOM 24 CB SER 13 14.238 0.158 3.577 +ATOM 25 CA SER 14 10.619 -1.629 3.402 +ATOM 26 CB SER 14 10.680 -2.369 2.524 +ATOM 27 CA GLY 15 10.333 -4.224 6.163 +ATOM 28 CA ARG 16 7.072 -5.665 4.847 +ATOM 29 CB ARG 16 7.196 -3.787 2.485 +ATOM 30 CA PRO 17 6.275 -9.140 3.532 +ATOM 31 CB PRO 17 5.074 -8.760 4.004 +ATOM 32 CA PRO 18 7.322 -10.023 -0.012 +ATOM 33 CB PRO 18 7.779 -11.154 0.554 +ATOM 34 CA PRO 19 4.704 -10.342 -2.748 +ATOM 35 CB PRO 19 5.043 -9.051 -2.913 +ATOM 36 CA SER 20 4.951 -13.243 -5.191 +ATOM 37 CB SER 20 3.969 -13.839 -5.241 +TER +CONECT 1 3 2 +CONECT 3 5 4 +CONECT 5 7 6 +CONECT 7 9 8 +CONECT 9 11 10 +CONECT 11 13 12 +CONECT 13 15 14 +CONECT 15 17 16 +CONECT 17 19 18 +CONECT 19 20 +CONECT 20 21 +CONECT 21 23 22 +CONECT 23 25 24 +CONECT 25 27 26 +CONECT 27 28 +CONECT 28 30 29 +CONECT 30 32 31 +CONECT 32 34 33 +CONECT 34 35 +CONECT 36 37 diff --git a/examples/unres/CSA/GAB/CSA/global/unrestrained/CLUSTER/1l2y_csa_GB0000002_021.pdb b/examples/unres/CSA/GAB/CSA/global/unrestrained/CLUSTER/1l2y_csa_GB0000002_021.pdb new file mode 100644 index 0000000..d518255 --- /dev/null +++ b/examples/unres/CSA/GAB/CSA/global/unrestrained/CLUSTER/1l2y_csa_GB0000002_021.pdb @@ -0,0 +1,59 @@ +REMARK 1l2y ENERGY -8.50600E+01 +ATOM 1 CA ASN 1 3.800 0.000 0.000 +ATOM 2 CB ASN 1 5.359 0.511 0.381 +ATOM 3 CA LEU 2 4.050 -3.792 0.000 +ATOM 4 CB LEU 2 3.532 -5.626 0.357 +ATOM 5 CA TYR 3 4.478 -3.967 -3.772 +ATOM 6 CB TYR 3 5.314 -1.643 -3.504 +ATOM 7 CA ILE 4 7.305 -5.490 -5.804 +ATOM 8 CB ILE 4 7.090 -7.170 -6.336 +ATOM 9 CA GLN 5 8.925 -2.110 -6.430 +ATOM 10 CB GLN 5 8.510 0.069 -6.117 +ATOM 11 CA TRP 6 8.962 -1.418 -2.693 +ATOM 12 CB TRP 6 9.802 0.708 -1.444 +ATOM 13 CA LEU 7 10.226 -4.937 -2.016 +ATOM 14 CB LEU 7 8.637 -5.995 -1.677 +ATOM 15 CA LYS 8 13.001 -4.461 -4.568 +ATOM 16 CB LYS 8 11.644 -4.779 -6.693 +ATOM 17 CA ASP 9 14.642 -1.813 -2.391 +ATOM 18 CB ASP 9 13.786 -0.339 -2.517 +ATOM 19 CA GLY 10 13.016 -3.037 0.818 +ATOM 20 CA GLY 11 10.195 -0.894 2.191 +ATOM 21 CA PRO 12 12.128 2.299 2.905 +ATOM 22 CB PRO 12 11.644 2.428 4.152 +ATOM 23 CA SER 13 15.185 0.363 4.068 +ATOM 24 CB SER 13 15.782 0.833 4.931 +ATOM 25 CA SER 14 13.077 -1.996 6.174 +ATOM 26 CB SER 14 12.050 -1.499 6.314 +ATOM 27 CA GLY 15 11.758 -5.399 5.115 +ATOM 28 CA ARG 16 8.144 -6.160 4.222 +ATOM 29 CB ARG 16 7.700 -4.087 2.070 +ATOM 30 CA PRO 17 6.471 -9.431 3.254 +ATOM 31 CB PRO 17 5.442 -8.803 3.850 +ATOM 32 CA PRO 18 6.564 -10.543 -0.379 +ATOM 33 CB PRO 18 7.080 -11.666 0.152 +ATOM 34 CA PRO 19 3.382 -10.567 -2.457 +ATOM 35 CB PRO 19 3.826 -9.393 -2.941 +ATOM 36 CA SER 20 4.557 -13.440 -4.649 +ATOM 37 CB SER 20 5.533 -13.216 -5.215 +TER +CONECT 1 3 2 +CONECT 3 5 4 +CONECT 5 7 6 +CONECT 7 9 8 +CONECT 9 11 10 +CONECT 11 13 12 +CONECT 13 15 14 +CONECT 15 17 16 +CONECT 17 19 18 +CONECT 19 20 +CONECT 20 21 +CONECT 21 23 22 +CONECT 23 25 24 +CONECT 25 27 26 +CONECT 27 28 +CONECT 28 30 29 +CONECT 30 32 31 +CONECT 32 34 33 +CONECT 34 35 +CONECT 36 37 diff --git a/examples/unres/CSA/GAB/CSA/global/unrestrained/CLUSTER/1l2y_csa_GB0000002_022.pdb b/examples/unres/CSA/GAB/CSA/global/unrestrained/CLUSTER/1l2y_csa_GB0000002_022.pdb new file mode 100644 index 0000000..8614dde --- /dev/null +++ b/examples/unres/CSA/GAB/CSA/global/unrestrained/CLUSTER/1l2y_csa_GB0000002_022.pdb @@ -0,0 +1,59 @@ +REMARK 1l2y ENERGY -8.49800E+01 +ATOM 1 CA ASN 1 3.800 0.000 0.000 +ATOM 2 CB ASN 1 5.436 0.385 0.115 +ATOM 3 CA LEU 2 4.059 -3.791 0.000 +ATOM 4 CB LEU 2 3.721 -5.682 -0.262 +ATOM 5 CA TYR 3 6.165 -3.746 -3.163 +ATOM 6 CB TYR 3 5.792 -1.326 -3.579 +ATOM 7 CA ILE 4 9.310 -3.214 -1.097 +ATOM 8 CB ILE 4 10.126 -1.658 -0.839 +ATOM 9 CA GLN 5 8.211 -6.060 1.170 +ATOM 10 CB GLN 5 7.137 -4.737 2.623 +ATOM 11 CA TRP 6 7.369 -8.112 -1.916 +ATOM 12 CB TRP 6 5.869 -10.240 -1.988 +ATOM 13 CA LEU 7 10.810 -7.309 -3.315 +ATOM 14 CB LEU 7 10.816 -5.739 -4.454 +ATOM 15 CA LYS 8 12.386 -8.216 0.021 +ATOM 16 CB LYS 8 12.037 -6.027 1.263 +ATOM 17 CA ASP 9 11.270 -11.824 -0.400 +ATOM 18 CB ASP 9 9.565 -11.922 -0.322 +ATOM 19 CA GLY 10 11.531 -11.671 -4.188 +ATOM 20 CA GLY 11 7.811 -12.193 -4.759 +ATOM 21 CA PRO 12 5.307 -11.040 -7.374 +ATOM 22 CB PRO 12 4.362 -11.196 -6.429 +ATOM 23 CA SER 13 6.413 -7.423 -7.011 +ATOM 24 CB SER 13 6.654 -7.126 -5.927 +ATOM 25 CA SER 14 9.945 -8.379 -8.036 +ATOM 26 CB SER 14 10.198 -9.451 -7.706 +ATOM 27 CA GLY 15 8.905 -8.873 -11.657 +ATOM 28 CA ARG 16 6.980 -5.602 -11.845 +ATOM 29 CB ARG 16 7.366 -4.580 -9.030 +ATOM 30 CA PRO 17 9.291 -2.586 -11.835 +ATOM 31 CB PRO 17 8.209 -2.071 -12.448 +ATOM 32 CA PRO 18 11.158 -1.877 -8.603 +ATOM 33 CB PRO 18 12.217 -1.688 -9.410 +ATOM 34 CA PRO 19 10.141 1.077 -6.440 +ATOM 35 CB PRO 19 9.713 0.096 -5.625 +ATOM 36 CA SER 20 13.694 1.798 -5.301 +ATOM 37 CB SER 20 13.472 1.268 -4.305 +TER +CONECT 1 3 2 +CONECT 3 5 4 +CONECT 5 7 6 +CONECT 7 9 8 +CONECT 9 11 10 +CONECT 11 13 12 +CONECT 13 15 14 +CONECT 15 17 16 +CONECT 17 19 18 +CONECT 19 20 +CONECT 20 21 +CONECT 21 23 22 +CONECT 23 25 24 +CONECT 25 27 26 +CONECT 27 28 +CONECT 28 30 29 +CONECT 30 32 31 +CONECT 32 34 33 +CONECT 34 35 +CONECT 36 37 diff --git a/examples/unres/CSA/GAB/CSA/global/unrestrained/CLUSTER/1l2y_csa_GB0000002_023.pdb b/examples/unres/CSA/GAB/CSA/global/unrestrained/CLUSTER/1l2y_csa_GB0000002_023.pdb new file mode 100644 index 0000000..b38cc78 --- /dev/null +++ b/examples/unres/CSA/GAB/CSA/global/unrestrained/CLUSTER/1l2y_csa_GB0000002_023.pdb @@ -0,0 +1,59 @@ +REMARK 1l2y ENERGY -8.49400E+01 +ATOM 1 CA ASN 1 3.800 0.000 0.000 +ATOM 2 CB ASN 1 5.331 0.594 0.373 +ATOM 3 CA LEU 2 4.046 -3.792 0.000 +ATOM 4 CB LEU 2 3.409 -5.611 0.214 +ATOM 5 CA TYR 3 4.621 -3.964 -3.752 +ATOM 6 CB TYR 3 5.406 -1.627 -3.443 +ATOM 7 CA ILE 4 7.549 -5.501 -5.625 +ATOM 8 CB ILE 4 7.404 -7.181 -6.184 +ATOM 9 CA GLN 5 9.181 -2.119 -6.204 +ATOM 10 CB GLN 5 8.653 0.043 -5.955 +ATOM 11 CA TRP 6 9.011 -1.349 -2.487 +ATOM 12 CB TRP 6 9.955 0.694 -1.174 +ATOM 13 CA LEU 7 10.127 -4.869 -1.593 +ATOM 14 CB LEU 7 8.569 -6.015 -1.462 +ATOM 15 CA LYS 8 13.113 -4.593 -3.928 +ATOM 16 CB LYS 8 12.305 -6.465 -5.445 +ATOM 17 CA ASP 9 13.690 -0.951 -3.012 +ATOM 18 CB ASP 9 13.522 0.749 -2.983 +ATOM 19 CA GLY 10 14.009 -1.658 0.708 +ATOM 20 CA GLY 11 14.111 2.023 1.649 +ATOM 21 CA PRO 12 11.727 3.488 4.220 +ATOM 22 CB PRO 12 12.353 4.667 4.056 +ATOM 23 CA SER 13 9.215 0.662 3.840 +ATOM 24 CB SER 13 9.427 0.007 2.919 +ATOM 25 CA SER 14 9.173 -2.417 6.066 +ATOM 26 CB SER 14 8.087 -2.721 6.289 +ATOM 27 CA GLY 15 10.354 -5.973 5.430 +ATOM 28 CA ARG 16 7.128 -7.168 3.815 +ATOM 29 CB ARG 16 7.355 -4.585 2.268 +ATOM 30 CA PRO 17 6.344 -10.435 2.039 +ATOM 31 CB PRO 17 5.145 -10.144 2.575 +ATOM 32 CA PRO 18 7.218 -10.831 -1.638 +ATOM 33 CB PRO 18 7.769 -11.985 -1.220 +ATOM 34 CA PRO 19 4.347 -10.835 -4.127 +ATOM 35 CB PRO 19 4.197 -9.554 -3.746 +ATOM 36 CA SER 20 5.822 -13.652 -6.207 +ATOM 37 CB SER 20 6.964 -13.754 -6.109 +TER +CONECT 1 3 2 +CONECT 3 5 4 +CONECT 5 7 6 +CONECT 7 9 8 +CONECT 9 11 10 +CONECT 11 13 12 +CONECT 13 15 14 +CONECT 15 17 16 +CONECT 17 19 18 +CONECT 19 20 +CONECT 20 21 +CONECT 21 23 22 +CONECT 23 25 24 +CONECT 25 27 26 +CONECT 27 28 +CONECT 28 30 29 +CONECT 30 32 31 +CONECT 32 34 33 +CONECT 34 35 +CONECT 36 37 diff --git a/examples/unres/CSA/GAB/CSA/global/unrestrained/CLUSTER/1l2y_csa_GB0000002_024.pdb b/examples/unres/CSA/GAB/CSA/global/unrestrained/CLUSTER/1l2y_csa_GB0000002_024.pdb new file mode 100644 index 0000000..1f06b6e --- /dev/null +++ b/examples/unres/CSA/GAB/CSA/global/unrestrained/CLUSTER/1l2y_csa_GB0000002_024.pdb @@ -0,0 +1,59 @@ +REMARK 1l2y ENERGY -8.45700E+01 +ATOM 1 CA ASN 1 3.800 0.000 0.000 +ATOM 2 CB ASN 1 5.367 0.467 0.401 +ATOM 3 CA LEU 2 4.051 -3.792 0.000 +ATOM 4 CB LEU 2 3.675 -5.654 0.387 +ATOM 5 CA TYR 3 1.909 -4.070 -3.126 +ATOM 6 CB TYR 3 2.026 -1.680 -3.790 +ATOM 7 CA ILE 4 5.001 -4.637 -5.262 +ATOM 8 CB ILE 4 5.838 -3.284 -6.051 +ATOM 9 CA GLN 5 6.103 -7.380 -2.875 +ATOM 10 CB GLN 5 7.466 -5.918 -1.864 +ATOM 11 CA TRP 6 2.522 -8.640 -2.724 +ATOM 12 CB TRP 6 0.483 -10.235 -3.014 +ATOM 13 CA LEU 7 2.364 -8.702 -6.521 +ATOM 14 CB LEU 7 1.740 -7.025 -7.266 +ATOM 15 CA LYS 8 5.761 -10.398 -6.679 +ATOM 16 CB LYS 8 7.144 -8.315 -7.135 +ATOM 17 CA ASP 9 4.639 -13.075 -4.227 +ATOM 18 CB ASP 9 4.285 -12.275 -2.759 +ATOM 19 CA GLY 10 1.161 -13.323 -5.738 +ATOM 20 CA GLY 11 -1.485 -15.505 -4.102 +ATOM 21 CA PRO 12 -4.616 -14.082 -5.717 +ATOM 22 CB PRO 12 -5.304 -15.032 -5.058 +ATOM 23 CA SER 13 -3.245 -10.685 -6.724 +ATOM 24 CB SER 13 -2.101 -10.563 -6.727 +ATOM 25 CA SER 14 -4.747 -7.683 -8.505 +ATOM 26 CB SER 14 -5.494 -7.099 -7.854 +ATOM 27 CA GLY 15 -2.517 -4.717 -9.325 +ATOM 28 CA ARG 16 -1.736 -1.862 -6.942 +ATOM 29 CB ARG 16 -1.216 -4.231 -5.143 +ATOM 30 CA PRO 17 0.334 1.257 -7.595 +ATOM 31 CB PRO 17 -0.655 1.745 -6.825 +ATOM 32 CA PRO 18 4.112 0.936 -7.343 +ATOM 33 CB PRO 18 4.154 1.702 -8.449 +ATOM 34 CA PRO 19 5.989 2.505 -4.436 +ATOM 35 CB PRO 19 5.880 1.273 -3.908 +ATOM 36 CA SER 20 8.959 3.459 -6.606 +ATOM 37 CB SER 20 9.068 2.782 -7.530 +TER +CONECT 1 3 2 +CONECT 3 5 4 +CONECT 5 7 6 +CONECT 7 9 8 +CONECT 9 11 10 +CONECT 11 13 12 +CONECT 13 15 14 +CONECT 15 17 16 +CONECT 17 19 18 +CONECT 19 20 +CONECT 20 21 +CONECT 21 23 22 +CONECT 23 25 24 +CONECT 25 27 26 +CONECT 27 28 +CONECT 28 30 29 +CONECT 30 32 31 +CONECT 32 34 33 +CONECT 34 35 +CONECT 36 37 diff --git a/examples/unres/CSA/GAB/CSA/global/unrestrained/CLUSTER/1l2y_csa_GB0000002_025.pdb b/examples/unres/CSA/GAB/CSA/global/unrestrained/CLUSTER/1l2y_csa_GB0000002_025.pdb new file mode 100644 index 0000000..6f1cf53 --- /dev/null +++ b/examples/unres/CSA/GAB/CSA/global/unrestrained/CLUSTER/1l2y_csa_GB0000002_025.pdb @@ -0,0 +1,59 @@ +REMARK 1l2y ENERGY -8.44700E+01 +ATOM 1 CA ASN 1 3.800 0.000 0.000 +ATOM 2 CB ASN 1 5.388 0.523 0.203 +ATOM 3 CA LEU 2 4.051 -3.792 0.000 +ATOM 4 CB LEU 2 3.039 -5.335 -0.594 +ATOM 5 CA TYR 3 5.193 -3.851 -3.624 +ATOM 6 CB TYR 3 6.715 -1.958 -3.107 +ATOM 7 CA ILE 4 7.831 -6.472 -2.839 +ATOM 8 CB ILE 4 9.413 -6.047 -2.154 +ATOM 9 CA GLN 5 5.132 -8.775 -1.479 +ATOM 10 CB GLN 5 6.088 -8.416 0.514 +ATOM 11 CA TRP 6 2.938 -7.924 -4.463 +ATOM 12 CB TRP 6 0.853 -8.194 -6.002 +ATOM 13 CA LEU 7 5.553 -9.405 -6.789 +ATOM 14 CB LEU 7 7.361 -8.705 -6.789 +ATOM 15 CA LYS 8 3.918 -12.817 -6.442 +ATOM 16 CB LYS 8 3.456 -11.764 -4.176 +ATOM 17 CA ASP 9 1.953 -12.270 -9.648 +ATOM 18 CB ASP 9 0.418 -11.566 -9.382 +ATOM 19 CA GLY 10 3.994 -9.219 -10.632 +ATOM 20 CA GLY 11 1.220 -6.713 -9.951 +ATOM 21 CA PRO 12 3.579 -3.997 -8.725 +ATOM 22 CB PRO 12 3.962 -4.778 -7.700 +ATOM 23 CA SER 13 6.151 -4.727 -11.426 +ATOM 24 CB SER 13 6.282 -5.754 -10.926 +ATOM 25 CA SER 14 6.357 -1.067 -12.427 +ATOM 26 CB SER 14 5.287 -1.105 -12.006 +ATOM 27 CA GLY 15 9.950 -0.563 -11.298 +ATOM 28 CA ARG 16 9.069 0.604 -7.790 +ATOM 29 CB ARG 16 8.149 -2.117 -6.857 +ATOM 30 CA PRO 17 11.247 1.023 -4.705 +ATOM 31 CB PRO 17 10.691 2.243 -4.815 +ATOM 32 CA PRO 18 11.359 -1.794 -2.156 +ATOM 33 CB PRO 18 12.686 -1.576 -2.156 +ATOM 34 CA PRO 19 9.667 -1.390 1.222 +ATOM 35 CB PRO 19 8.738 -2.269 0.807 +ATOM 36 CA SER 20 12.462 -3.156 3.096 +ATOM 37 CB SER 20 12.982 -4.000 2.513 +TER +CONECT 1 3 2 +CONECT 3 5 4 +CONECT 5 7 6 +CONECT 7 9 8 +CONECT 9 11 10 +CONECT 11 13 12 +CONECT 13 15 14 +CONECT 15 17 16 +CONECT 17 19 18 +CONECT 19 20 +CONECT 20 21 +CONECT 21 23 22 +CONECT 23 25 24 +CONECT 25 27 26 +CONECT 27 28 +CONECT 28 30 29 +CONECT 30 32 31 +CONECT 32 34 33 +CONECT 34 35 +CONECT 36 37 diff --git a/examples/unres/CSA/GAB/CSA/global/unrestrained/CLUSTER/1l2y_csa_GB0000002_026.pdb b/examples/unres/CSA/GAB/CSA/global/unrestrained/CLUSTER/1l2y_csa_GB0000002_026.pdb new file mode 100644 index 0000000..e87c665 --- /dev/null +++ b/examples/unres/CSA/GAB/CSA/global/unrestrained/CLUSTER/1l2y_csa_GB0000002_026.pdb @@ -0,0 +1,59 @@ +REMARK 1l2y ENERGY -8.43900E+01 +ATOM 1 CA ASN 1 3.800 0.000 0.000 +ATOM 2 CB ASN 1 5.465 0.206 0.146 +ATOM 3 CA LEU 2 4.064 -3.791 0.000 +ATOM 4 CB LEU 2 3.866 -5.719 0.060 +ATOM 5 CA TYR 3 5.634 -3.791 -3.461 +ATOM 6 CB TYR 3 5.483 -1.662 -4.731 +ATOM 7 CA ILE 4 8.982 -2.800 -1.962 +ATOM 8 CB ILE 4 9.824 -1.272 -2.290 +ATOM 9 CA GLN 5 8.683 -5.556 0.637 +ATOM 10 CB GLN 5 7.591 -4.568 2.325 +ATOM 11 CA TRP 6 7.102 -7.856 -1.942 +ATOM 12 CB TRP 6 6.588 -10.352 -1.402 +ATOM 13 CA LEU 7 9.782 -6.973 -4.487 +ATOM 14 CB LEU 7 9.222 -5.391 -5.458 +ATOM 15 CA LYS 8 12.498 -7.371 -1.859 +ATOM 16 CB LYS 8 13.140 -4.925 -1.608 +ATOM 17 CA ASP 9 10.984 -10.639 -0.649 +ATOM 18 CB ASP 9 10.040 -11.743 0.253 +ATOM 19 CA GLY 10 10.482 -11.979 -4.169 +ATOM 20 CA GLY 11 8.159 -14.770 -3.049 +ATOM 21 CA PRO 12 4.848 -16.091 -4.365 +ATOM 22 CB PRO 12 4.451 -16.277 -3.093 +ATOM 23 CA SER 13 3.532 -12.634 -5.238 +ATOM 24 CB SER 13 3.943 -11.784 -4.581 +ATOM 25 CA SER 14 4.275 -10.820 -8.493 +ATOM 26 CB SER 14 3.338 -10.290 -8.898 +ATOM 27 CA GLY 15 6.616 -7.873 -9.016 +ATOM 28 CA ARG 16 5.314 -4.341 -8.498 +ATOM 29 CB ARG 16 4.928 -6.035 -6.029 +ATOM 30 CA PRO 17 7.175 -1.089 -9.134 +ATOM 31 CB PRO 17 5.943 -0.757 -9.560 +ATOM 32 CA PRO 18 9.308 0.410 -6.370 +ATOM 33 CB PRO 18 10.252 0.510 -7.323 +ATOM 34 CA PRO 19 8.288 3.673 -4.712 +ATOM 35 CB PRO 19 7.599 2.806 -3.948 +ATOM 36 CA SER 20 11.008 6.235 -4.024 +ATOM 37 CB SER 20 10.749 7.262 -4.473 +TER +CONECT 1 3 2 +CONECT 3 5 4 +CONECT 5 7 6 +CONECT 7 9 8 +CONECT 9 11 10 +CONECT 11 13 12 +CONECT 13 15 14 +CONECT 15 17 16 +CONECT 17 19 18 +CONECT 19 20 +CONECT 20 21 +CONECT 21 23 22 +CONECT 23 25 24 +CONECT 25 27 26 +CONECT 27 28 +CONECT 28 30 29 +CONECT 30 32 31 +CONECT 32 34 33 +CONECT 34 35 +CONECT 36 37 diff --git a/examples/unres/CSA/GAB/CSA/global/unrestrained/CLUSTER/1l2y_csa_GB0000002_027.pdb b/examples/unres/CSA/GAB/CSA/global/unrestrained/CLUSTER/1l2y_csa_GB0000002_027.pdb new file mode 100644 index 0000000..9a8ff1e --- /dev/null +++ b/examples/unres/CSA/GAB/CSA/global/unrestrained/CLUSTER/1l2y_csa_GB0000002_027.pdb @@ -0,0 +1,59 @@ +REMARK 1l2y ENERGY -8.43400E+01 +ATOM 1 CA ASN 1 3.800 0.000 0.000 +ATOM 2 CB ASN 1 5.419 0.379 0.265 +ATOM 3 CA LEU 2 4.057 -3.791 0.000 +ATOM 4 CB LEU 2 3.531 -5.644 -0.226 +ATOM 5 CA TYR 3 5.620 -3.803 -3.464 +ATOM 6 CB TYR 3 6.173 -1.381 -3.446 +ATOM 7 CA ILE 4 8.969 -4.820 -1.985 +ATOM 8 CB ILE 4 10.131 -3.664 -1.299 +ATOM 9 CA GLN 5 7.323 -7.827 -0.344 +ATOM 10 CB GLN 5 7.343 -6.880 1.686 +ATOM 11 CA TRP 6 5.339 -8.492 -3.516 +ATOM 12 CB TRP 6 3.505 -10.330 -3.299 +ATOM 13 CA LEU 7 8.433 -7.913 -5.644 +ATOM 14 CB LEU 7 9.691 -6.536 -6.173 +ATOM 15 CA LYS 8 10.487 -10.157 -3.367 +ATOM 16 CB LYS 8 11.261 -8.632 -1.488 +ATOM 17 CA ASP 9 7.983 -12.982 -3.795 +ATOM 18 CB ASP 9 6.824 -12.342 -4.876 +ATOM 19 CA GLY 10 10.104 -14.618 -6.491 +ATOM 20 CA GLY 11 10.174 -11.628 -8.835 +ATOM 21 CA PRO 12 12.340 -8.586 -9.540 +ATOM 22 CB PRO 12 11.246 -8.202 -10.222 +ATOM 23 CA SER 13 13.991 -6.540 -6.796 +ATOM 24 CB SER 13 15.077 -6.863 -6.599 +ATOM 25 CA SER 14 14.700 -2.857 -7.408 +ATOM 26 CB SER 14 13.728 -2.265 -7.576 +ATOM 27 CA GLY 15 15.961 -0.565 -4.652 +ATOM 28 CA ARG 16 12.505 0.280 -3.316 +ATOM 29 CB ARG 16 10.332 -1.323 -4.669 +ATOM 30 CA PRO 17 11.412 1.673 0.046 +ATOM 31 CB PRO 17 10.421 2.121 -0.744 +ATOM 32 CA PRO 18 11.163 -0.758 2.956 +ATOM 33 CB PRO 18 11.898 0.173 3.590 +ATOM 34 CA PRO 19 7.738 -1.798 4.232 +ATOM 35 CB PRO 19 7.506 -2.302 3.007 +ATOM 36 CA SER 20 8.776 -1.595 7.882 +ATOM 37 CB SER 20 9.910 -1.675 8.052 +TER +CONECT 1 3 2 +CONECT 3 5 4 +CONECT 5 7 6 +CONECT 7 9 8 +CONECT 9 11 10 +CONECT 11 13 12 +CONECT 13 15 14 +CONECT 15 17 16 +CONECT 17 19 18 +CONECT 19 20 +CONECT 20 21 +CONECT 21 23 22 +CONECT 23 25 24 +CONECT 25 27 26 +CONECT 27 28 +CONECT 28 30 29 +CONECT 30 32 31 +CONECT 32 34 33 +CONECT 34 35 +CONECT 36 37 diff --git a/examples/unres/CSA/GAB/CSA/global/unrestrained/CLUSTER/1l2y_csa_GB0000002_028.pdb b/examples/unres/CSA/GAB/CSA/global/unrestrained/CLUSTER/1l2y_csa_GB0000002_028.pdb new file mode 100644 index 0000000..16657f8 --- /dev/null +++ b/examples/unres/CSA/GAB/CSA/global/unrestrained/CLUSTER/1l2y_csa_GB0000002_028.pdb @@ -0,0 +1,59 @@ +REMARK 1l2y ENERGY -8.41000E+01 +ATOM 1 CA ASN 1 3.800 0.000 0.000 +ATOM 2 CB ASN 1 5.364 0.470 0.411 +ATOM 3 CA LEU 2 4.051 -3.792 0.000 +ATOM 4 CB LEU 2 3.987 -5.653 0.539 +ATOM 5 CA TYR 3 1.777 -4.134 -3.025 +ATOM 6 CB TYR 3 -0.357 -2.985 -2.482 +ATOM 7 CA ILE 4 2.581 -7.835 -3.342 +ATOM 8 CB ILE 4 4.210 -8.536 -3.436 +ATOM 9 CA GLN 5 -0.151 -8.511 -0.789 +ATOM 10 CB GLN 5 -0.376 -6.519 0.211 +ATOM 11 CA TRP 6 -2.469 -6.289 -2.822 +ATOM 12 CB TRP 6 -4.527 -4.931 -1.980 +ATOM 13 CA LEU 7 -1.581 -8.303 -5.920 +ATOM 14 CB LEU 7 -0.051 -7.786 -6.993 +ATOM 15 CA LYS 8 -2.136 -11.526 -3.985 +ATOM 16 CB LYS 8 0.150 -11.766 -2.902 +ATOM 17 CA ASP 9 -5.793 -10.619 -3.491 +ATOM 18 CB ASP 9 -5.882 -9.192 -2.555 +ATOM 19 CA GLY 10 -5.983 -8.785 -6.814 +ATOM 20 CA GLY 11 -6.659 -5.393 -5.239 +ATOM 21 CA PRO 12 -5.831 -1.838 -6.295 +ATOM 22 CB PRO 12 -5.818 -1.471 -5.002 +ATOM 23 CA SER 13 -2.160 -2.683 -6.789 +ATOM 24 CB SER 13 -1.827 -3.550 -6.110 +ATOM 25 CA SER 14 -2.990 -4.990 -9.693 +ATOM 26 CB SER 14 -4.120 -5.144 -9.845 +ATOM 27 CA GLY 15 -2.223 -2.302 -12.268 +ATOM 28 CA ARG 16 0.860 -0.958 -10.499 +ATOM 29 CB ARG 16 1.573 -2.810 -8.223 +ATOM 30 CA PRO 17 4.249 -2.652 -10.791 +ATOM 31 CB PRO 17 4.604 -1.362 -10.936 +ATOM 32 CA PRO 18 5.136 -5.378 -8.297 +ATOM 33 CB PRO 18 5.453 -6.077 -9.401 +ATOM 34 CA PRO 19 7.802 -4.663 -5.685 +ATOM 35 CB PRO 19 6.865 -4.719 -4.722 +ATOM 36 CA SER 20 9.390 -8.094 -6.066 +ATOM 37 CB SER 20 8.695 -8.838 -6.600 +TER +CONECT 1 3 2 +CONECT 3 5 4 +CONECT 5 7 6 +CONECT 7 9 8 +CONECT 9 11 10 +CONECT 11 13 12 +CONECT 13 15 14 +CONECT 15 17 16 +CONECT 17 19 18 +CONECT 19 20 +CONECT 20 21 +CONECT 21 23 22 +CONECT 23 25 24 +CONECT 25 27 26 +CONECT 27 28 +CONECT 28 30 29 +CONECT 30 32 31 +CONECT 32 34 33 +CONECT 34 35 +CONECT 36 37 diff --git a/examples/unres/CSA/GAB/CSA/global/unrestrained/CLUSTER/1l2y_csa_GB0000002_029.pdb b/examples/unres/CSA/GAB/CSA/global/unrestrained/CLUSTER/1l2y_csa_GB0000002_029.pdb new file mode 100644 index 0000000..8c99937 --- /dev/null +++ b/examples/unres/CSA/GAB/CSA/global/unrestrained/CLUSTER/1l2y_csa_GB0000002_029.pdb @@ -0,0 +1,59 @@ +REMARK 1l2y ENERGY -8.40900E+01 +ATOM 1 CA ASN 1 3.800 0.000 0.000 +ATOM 2 CB ASN 1 5.359 0.519 0.369 +ATOM 3 CA LEU 2 4.049 -3.792 0.000 +ATOM 4 CB LEU 2 3.547 -5.630 0.358 +ATOM 5 CA TYR 3 4.649 -3.966 -3.748 +ATOM 6 CB TYR 3 5.605 -1.706 -3.360 +ATOM 7 CA ILE 4 7.660 -5.553 -5.438 +ATOM 8 CB ILE 4 7.205 -7.008 -6.350 +ATOM 9 CA GLN 5 9.309 -2.172 -5.978 +ATOM 10 CB GLN 5 8.999 0.029 -5.696 +ATOM 11 CA TRP 6 9.258 -1.531 -2.232 +ATOM 12 CB TRP 6 10.058 0.749 -1.260 +ATOM 13 CA LEU 7 10.300 -5.123 -1.561 +ATOM 14 CB LEU 7 8.802 -6.285 -1.156 +ATOM 15 CA LYS 8 13.172 -4.797 -4.028 +ATOM 16 CB LYS 8 12.161 -6.177 -5.907 +ATOM 17 CA ASP 9 14.292 -1.533 -2.437 +ATOM 18 CB ASP 9 13.567 -0.164 -3.158 +ATOM 19 CA GLY 10 14.115 -3.005 1.062 +ATOM 20 CA GLY 11 11.344 -0.654 2.175 +ATOM 21 CA PRO 12 8.477 -2.765 3.501 +ATOM 22 CB PRO 12 7.967 -2.721 2.257 +ATOM 23 CA SER 13 9.799 -6.291 2.993 +ATOM 24 CB SER 13 10.820 -5.782 2.851 +ATOM 25 CA SER 14 7.439 -9.180 3.720 +ATOM 26 CB SER 14 6.570 -9.130 2.968 +ATOM 27 CA GLY 15 8.431 -12.786 3.049 +ATOM 28 CA ARG 16 9.144 -13.474 -0.620 +ATOM 29 CB ARG 16 6.920 -14.414 -2.433 +ATOM 30 CA PRO 17 8.052 -10.667 -2.937 +ATOM 31 CB PRO 17 9.144 -11.091 -3.598 +ATOM 32 CA PRO 18 4.381 -10.526 -3.907 +ATOM 33 CB PRO 18 4.482 -9.244 -3.513 +ATOM 34 CA PRO 19 3.468 -11.199 -7.534 +ATOM 35 CB PRO 19 3.414 -12.505 -7.215 +ATOM 36 CA SER 20 2.393 -7.598 -8.096 +ATOM 37 CB SER 20 2.554 -7.034 -7.107 +TER +CONECT 1 3 2 +CONECT 3 5 4 +CONECT 5 7 6 +CONECT 7 9 8 +CONECT 9 11 10 +CONECT 11 13 12 +CONECT 13 15 14 +CONECT 15 17 16 +CONECT 17 19 18 +CONECT 19 20 +CONECT 20 21 +CONECT 21 23 22 +CONECT 23 25 24 +CONECT 25 27 26 +CONECT 27 28 +CONECT 28 30 29 +CONECT 30 32 31 +CONECT 32 34 33 +CONECT 34 35 +CONECT 36 37 diff --git a/examples/unres/CSA/GAB/CSA/global/unrestrained/CLUSTER/1l2y_csa_GB0000002_030.pdb b/examples/unres/CSA/GAB/CSA/global/unrestrained/CLUSTER/1l2y_csa_GB0000002_030.pdb new file mode 100644 index 0000000..ba0b462 --- /dev/null +++ b/examples/unres/CSA/GAB/CSA/global/unrestrained/CLUSTER/1l2y_csa_GB0000002_030.pdb @@ -0,0 +1,59 @@ +REMARK 1l2y ENERGY -8.38000E+01 +ATOM 1 CA ASN 1 3.800 0.000 0.000 +ATOM 2 CB ASN 1 5.333 0.585 0.377 +ATOM 3 CA LEU 2 4.046 -3.792 0.000 +ATOM 4 CB LEU 2 3.405 -5.598 0.295 +ATOM 5 CA TYR 3 4.579 -3.964 -3.759 +ATOM 6 CB TYR 3 5.356 -1.624 -3.455 +ATOM 7 CA ILE 4 7.466 -5.461 -5.724 +ATOM 8 CB ILE 4 7.268 -7.125 -6.313 +ATOM 9 CA GLN 5 9.078 -2.067 -6.295 +ATOM 10 CB GLN 5 8.550 0.092 -6.019 +ATOM 11 CA TRP 6 8.973 -1.329 -2.568 +ATOM 12 CB TRP 6 9.923 0.685 -1.217 +ATOM 13 CA LEU 7 10.196 -4.829 -1.735 +ATOM 14 CB LEU 7 8.581 -5.891 -1.581 +ATOM 15 CA LYS 8 13.113 -4.452 -4.141 +ATOM 16 CB LYS 8 12.242 -6.274 -5.684 +ATOM 17 CA ASP 9 13.659 -0.829 -3.133 +ATOM 18 CB ASP 9 13.473 0.868 -3.055 +ATOM 19 CA GLY 10 14.014 -1.638 0.563 +ATOM 20 CA GLY 11 14.107 2.014 1.612 +ATOM 21 CA PRO 12 11.744 3.430 4.229 +ATOM 22 CB PRO 12 12.366 4.613 4.079 +ATOM 23 CA SER 13 9.233 0.606 3.827 +ATOM 24 CB SER 13 9.461 -0.034 2.900 +ATOM 25 CA SER 14 9.128 -2.495 6.022 +ATOM 26 CB SER 14 8.037 -2.812 6.199 +ATOM 27 CA GLY 15 10.351 -6.025 5.330 +ATOM 28 CA ARG 16 7.132 -7.245 3.721 +ATOM 29 CB ARG 16 7.375 -4.631 2.229 +ATOM 30 CA PRO 17 6.482 -10.467 1.813 +ATOM 31 CB PRO 17 5.285 -10.273 2.395 +ATOM 32 CA PRO 18 7.260 -10.580 -1.905 +ATOM 33 CB PRO 18 7.879 -11.732 -1.589 +ATOM 34 CA PRO 19 4.354 -10.701 -4.351 +ATOM 35 CB PRO 19 4.180 -9.474 -3.827 +ATOM 36 CA SER 20 4.939 -12.687 -7.538 +ATOM 37 CB SER 20 4.148 -13.507 -7.691 +TER +CONECT 1 3 2 +CONECT 3 5 4 +CONECT 5 7 6 +CONECT 7 9 8 +CONECT 9 11 10 +CONECT 11 13 12 +CONECT 13 15 14 +CONECT 15 17 16 +CONECT 17 19 18 +CONECT 19 20 +CONECT 20 21 +CONECT 21 23 22 +CONECT 23 25 24 +CONECT 25 27 26 +CONECT 27 28 +CONECT 28 30 29 +CONECT 30 32 31 +CONECT 32 34 33 +CONECT 34 35 +CONECT 36 37 diff --git a/examples/unres/CSA/GAB/CSA/global/unrestrained/CLUSTER/1l2y_csa_GB0000002_031.pdb b/examples/unres/CSA/GAB/CSA/global/unrestrained/CLUSTER/1l2y_csa_GB0000002_031.pdb new file mode 100644 index 0000000..bba2fd3 --- /dev/null +++ b/examples/unres/CSA/GAB/CSA/global/unrestrained/CLUSTER/1l2y_csa_GB0000002_031.pdb @@ -0,0 +1,59 @@ +REMARK 1l2y ENERGY -8.37800E+01 +ATOM 1 CA ASN 1 3.800 0.000 0.000 +ATOM 2 CB ASN 1 5.223 0.852 0.291 +ATOM 3 CA LEU 2 5.495 -3.401 0.000 +ATOM 4 CB LEU 2 5.656 -5.225 -0.638 +ATOM 5 CA TYR 3 9.257 -3.528 0.521 +ATOM 6 CB TYR 3 9.221 -1.291 1.601 +ATOM 7 CA ILE 4 9.798 -4.664 -3.064 +ATOM 8 CB ILE 4 9.504 -6.305 -3.675 +ATOM 9 CA GLN 5 8.472 -1.305 -4.248 +ATOM 10 CB GLN 5 6.403 -1.122 -3.408 +ATOM 11 CA TRP 6 10.620 0.393 -1.612 +ATOM 12 CB TRP 6 10.206 2.674 -0.424 +ATOM 13 CA LEU 7 13.629 -1.512 -2.939 +ATOM 14 CB LEU 7 14.001 -3.305 -2.302 +ATOM 15 CA LYS 8 12.620 -0.639 -6.498 +ATOM 16 CB LYS 8 11.056 -2.581 -6.989 +ATOM 17 CA ASP 9 13.019 3.060 -5.728 +ATOM 18 CB ASP 9 11.894 3.502 -4.519 +ATOM 19 CA GLY 10 15.872 2.432 -3.297 +ATOM 20 CA GLY 11 13.977 3.747 -0.277 +ATOM 21 CA PRO 12 14.132 2.881 3.420 +ATOM 22 CB PRO 12 12.869 3.326 3.540 +ATOM 23 CA SER 13 13.743 -0.832 2.713 +ATOM 24 CB SER 13 13.166 -1.018 1.736 +ATOM 25 CA SER 14 17.156 -0.959 1.046 +ATOM 26 CB SER 14 17.672 0.067 0.982 +ATOM 27 CA GLY 15 18.803 -2.406 4.150 +ATOM 28 CA ARG 16 15.997 -4.833 4.973 +ATOM 29 CB ARG 16 13.911 -5.036 2.798 +ATOM 30 CA PRO 17 15.709 -8.265 3.366 +ATOM 31 CB PRO 17 15.493 -8.572 4.657 +ATOM 32 CA PRO 18 13.767 -8.557 0.113 +ATOM 33 CB PRO 18 14.803 -9.313 -0.293 +ATOM 34 CA PRO 19 10.385 -10.289 0.156 +ATOM 35 CB PRO 19 9.896 -9.035 0.159 +ATOM 36 CA SER 20 10.960 -11.952 -3.212 +ATOM 37 CB SER 20 11.679 -11.357 -3.883 +TER +CONECT 1 3 2 +CONECT 3 5 4 +CONECT 5 7 6 +CONECT 7 9 8 +CONECT 9 11 10 +CONECT 11 13 12 +CONECT 13 15 14 +CONECT 15 17 16 +CONECT 17 19 18 +CONECT 19 20 +CONECT 20 21 +CONECT 21 23 22 +CONECT 23 25 24 +CONECT 25 27 26 +CONECT 27 28 +CONECT 28 30 29 +CONECT 30 32 31 +CONECT 32 34 33 +CONECT 34 35 +CONECT 36 37 diff --git a/examples/unres/CSA/GAB/CSA/global/unrestrained/CLUSTER/1l2y_csa_GB0000002_032.pdb b/examples/unres/CSA/GAB/CSA/global/unrestrained/CLUSTER/1l2y_csa_GB0000002_032.pdb new file mode 100644 index 0000000..4518eba --- /dev/null +++ b/examples/unres/CSA/GAB/CSA/global/unrestrained/CLUSTER/1l2y_csa_GB0000002_032.pdb @@ -0,0 +1,59 @@ +REMARK 1l2y ENERGY -8.37700E+01 +ATOM 1 CA ASN 1 3.800 0.000 0.000 +ATOM 2 CB ASN 1 5.454 0.263 0.179 +ATOM 3 CA LEU 2 4.062 -3.791 0.000 +ATOM 4 CB LEU 2 3.826 -5.709 0.161 +ATOM 5 CA TYR 3 5.281 -3.823 -3.599 +ATOM 6 CB TYR 3 5.119 -1.745 -4.950 +ATOM 7 CA ILE 4 8.798 -2.995 -2.422 +ATOM 8 CB ILE 4 9.405 -1.327 -2.498 +ATOM 9 CA GLN 5 8.554 -5.768 0.165 +ATOM 10 CB GLN 5 7.825 -4.358 1.746 +ATOM 11 CA TRP 6 6.869 -8.013 -2.396 +ATOM 12 CB TRP 6 7.061 -10.486 -3.194 +ATOM 13 CA LEU 7 9.566 -7.262 -4.964 +ATOM 14 CB LEU 7 8.965 -5.675 -5.901 +ATOM 15 CA LYS 8 12.094 -9.303 -2.993 +ATOM 16 CB LYS 8 10.518 -8.823 -1.059 +ATOM 17 CA ASP 9 10.824 -12.686 -4.169 +ATOM 18 CB ASP 9 10.617 -13.729 -5.507 +ATOM 19 CA GLY 10 9.174 -15.420 -2.110 +ATOM 20 CA GLY 11 7.626 -18.775 -2.999 +ATOM 21 CA PRO 12 4.783 -17.212 -4.978 +ATOM 22 CB PRO 12 4.574 -16.102 -4.248 +ATOM 23 CA SER 13 6.623 -14.464 -6.849 +ATOM 24 CB SER 13 6.804 -14.704 -7.959 +ATOM 25 CA SER 14 4.801 -11.166 -7.341 +ATOM 26 CB SER 14 4.534 -10.634 -6.357 +ATOM 27 CA GLY 15 6.544 -8.191 -8.939 +ATOM 28 CA ARG 16 5.003 -4.726 -8.700 +ATOM 29 CB ARG 16 4.571 -6.188 -6.093 +ATOM 30 CA PRO 17 6.735 -1.439 -9.497 +ATOM 31 CB PRO 17 5.485 -1.140 -9.891 +ATOM 32 CA PRO 18 8.694 0.325 -6.760 +ATOM 33 CB PRO 18 9.678 0.307 -7.676 +ATOM 34 CA PRO 19 7.352 3.598 -5.370 +ATOM 35 CB PRO 19 6.940 2.829 -4.346 +ATOM 36 CA SER 20 10.813 5.142 -5.091 +ATOM 37 CB SER 20 11.644 4.359 -4.957 +TER +CONECT 1 3 2 +CONECT 3 5 4 +CONECT 5 7 6 +CONECT 7 9 8 +CONECT 9 11 10 +CONECT 11 13 12 +CONECT 13 15 14 +CONECT 15 17 16 +CONECT 17 19 18 +CONECT 19 20 +CONECT 20 21 +CONECT 21 23 22 +CONECT 23 25 24 +CONECT 25 27 26 +CONECT 27 28 +CONECT 28 30 29 +CONECT 30 32 31 +CONECT 32 34 33 +CONECT 34 35 +CONECT 36 37 diff --git a/examples/unres/CSA/GAB/CSA/global/unrestrained/CLUSTER/1l2y_csa_GB0000002_033.pdb b/examples/unres/CSA/GAB/CSA/global/unrestrained/CLUSTER/1l2y_csa_GB0000002_033.pdb new file mode 100644 index 0000000..b698c5a --- /dev/null +++ b/examples/unres/CSA/GAB/CSA/global/unrestrained/CLUSTER/1l2y_csa_GB0000002_033.pdb @@ -0,0 +1,59 @@ +REMARK 1l2y ENERGY -8.37500E+01 +ATOM 1 CA ASN 1 3.800 0.000 0.000 +ATOM 2 CB ASN 1 5.461 0.271 0.061 +ATOM 3 CA LEU 2 4.062 -3.791 0.000 +ATOM 4 CB LEU 2 3.650 -5.684 0.088 +ATOM 5 CA TYR 3 5.155 -3.878 -3.638 +ATOM 6 CB TYR 3 6.937 -2.201 -3.212 +ATOM 7 CA ILE 4 7.012 -7.136 -3.025 +ATOM 8 CB ILE 4 8.222 -7.098 -1.726 +ATOM 9 CA GLN 5 3.844 -9.028 -3.932 +ATOM 10 CB GLN 5 1.918 -7.945 -3.562 +ATOM 11 CA TRP 6 3.306 -6.653 -6.850 +ATOM 12 CB TRP 6 2.035 -6.866 -9.114 +ATOM 13 CA LEU 7 6.920 -7.101 -7.935 +ATOM 14 CB LEU 7 8.017 -5.747 -7.085 +ATOM 15 CA LYS 8 6.557 -10.872 -7.634 +ATOM 16 CB LYS 8 7.714 -11.058 -5.379 +ATOM 17 CA ASP 9 3.323 -10.761 -9.626 +ATOM 18 CB ASP 9 2.040 -10.766 -8.498 +ATOM 19 CA GLY 10 4.919 -8.669 -12.368 +ATOM 20 CA GLY 11 1.855 -8.685 -14.615 +ATOM 21 CA PRO 12 0.437 -5.712 -16.511 +ATOM 22 CB PRO 12 -0.790 -6.059 -16.084 +ATOM 23 CA SER 13 1.494 -3.193 -13.870 +ATOM 24 CB SER 13 1.526 -3.604 -12.796 +ATOM 25 CA SER 14 4.923 -1.585 -13.566 +ATOM 26 CB SER 14 4.833 -0.461 -13.340 +ATOM 27 CA GLY 15 7.655 -2.277 -11.017 +ATOM 28 CA ARG 16 8.275 -0.512 -7.709 +ATOM 29 CB ARG 16 5.776 -2.110 -7.140 +ATOM 30 CA PRO 17 11.207 -1.103 -5.366 +ATOM 31 CB PRO 17 11.238 0.235 -5.497 +ATOM 32 CA PRO 18 10.897 -3.836 -2.744 +ATOM 33 CB PRO 18 12.146 -4.177 -3.106 +ATOM 34 CA PRO 19 10.551 -3.019 0.951 +ATOM 35 CB PRO 19 9.244 -3.036 0.634 +ATOM 36 CA SER 20 12.374 -5.279 3.402 +ATOM 37 CB SER 20 13.062 -4.683 4.104 +TER +CONECT 1 3 2 +CONECT 3 5 4 +CONECT 5 7 6 +CONECT 7 9 8 +CONECT 9 11 10 +CONECT 11 13 12 +CONECT 13 15 14 +CONECT 15 17 16 +CONECT 17 19 18 +CONECT 19 20 +CONECT 20 21 +CONECT 21 23 22 +CONECT 23 25 24 +CONECT 25 27 26 +CONECT 27 28 +CONECT 28 30 29 +CONECT 30 32 31 +CONECT 32 34 33 +CONECT 34 35 +CONECT 36 37 diff --git a/examples/unres/CSA/GAB/CSA/global/unrestrained/CLUSTER/1l2y_csa_GB0000002_034.pdb b/examples/unres/CSA/GAB/CSA/global/unrestrained/CLUSTER/1l2y_csa_GB0000002_034.pdb new file mode 100644 index 0000000..e5ef34d --- /dev/null +++ b/examples/unres/CSA/GAB/CSA/global/unrestrained/CLUSTER/1l2y_csa_GB0000002_034.pdb @@ -0,0 +1,59 @@ +REMARK 1l2y ENERGY -8.35100E+01 +ATOM 1 CA ASN 1 3.800 0.000 0.000 +ATOM 2 CB ASN 1 5.416 0.453 0.144 +ATOM 3 CA LEU 2 4.056 -3.791 0.000 +ATOM 4 CB LEU 2 3.883 -5.668 -0.456 +ATOM 5 CA TYR 3 6.089 -3.745 -3.210 +ATOM 6 CB TYR 3 5.796 -1.300 -3.536 +ATOM 7 CA ILE 4 9.281 -3.100 -1.251 +ATOM 8 CB ILE 4 10.001 -1.485 -1.082 +ATOM 9 CA GLN 5 8.400 -5.860 1.208 +ATOM 10 CB GLN 5 7.218 -4.513 2.552 +ATOM 11 CA TRP 6 7.242 -8.061 -1.665 +ATOM 12 CB TRP 6 6.898 -10.512 -0.850 +ATOM 13 CA LEU 7 10.350 -7.177 -3.664 +ATOM 14 CB LEU 7 9.711 -5.779 -4.845 +ATOM 15 CA LYS 8 12.531 -8.074 -0.684 +ATOM 16 CB LYS 8 12.497 -5.842 0.530 +ATOM 17 CA ASP 9 11.278 -11.660 -0.782 +ATOM 18 CB ASP 9 10.443 -11.977 0.675 +ATOM 19 CA GLY 10 10.877 -11.652 -4.561 +ATOM 20 CA GLY 11 7.089 -11.929 -4.447 +ATOM 21 CA PRO 12 5.702 -9.305 -6.820 +ATOM 22 CB PRO 12 5.680 -8.431 -5.799 +ATOM 23 CA SER 13 8.956 -8.018 -8.300 +ATOM 24 CB SER 13 9.422 -8.989 -7.894 +ATOM 25 CA SER 14 9.062 -5.121 -10.757 +ATOM 26 CB SER 14 8.801 -4.154 -10.192 +ATOM 27 CA GLY 15 12.331 -3.852 -12.220 +ATOM 28 CA ARG 16 14.786 -2.582 -9.612 +ATOM 29 CB ARG 16 15.409 0.247 -8.756 +ATOM 30 CA PRO 17 13.204 -2.164 -6.183 +ATOM 31 CB PRO 17 14.470 -2.406 -5.800 +ATOM 32 CA PRO 18 11.187 0.993 -5.545 +ATOM 33 CB PRO 18 10.223 0.078 -5.341 +ATOM 34 CA PRO 19 12.621 3.559 -3.136 +ATOM 35 CB PRO 19 13.633 3.719 -4.008 +ATOM 36 CA SER 20 9.293 4.097 -1.382 +ATOM 37 CB SER 20 8.437 3.523 -1.892 +TER +CONECT 1 3 2 +CONECT 3 5 4 +CONECT 5 7 6 +CONECT 7 9 8 +CONECT 9 11 10 +CONECT 11 13 12 +CONECT 13 15 14 +CONECT 15 17 16 +CONECT 17 19 18 +CONECT 19 20 +CONECT 20 21 +CONECT 21 23 22 +CONECT 23 25 24 +CONECT 25 27 26 +CONECT 27 28 +CONECT 28 30 29 +CONECT 30 32 31 +CONECT 32 34 33 +CONECT 34 35 +CONECT 36 37 diff --git a/examples/unres/CSA/GAB/CSA/global/unrestrained/CLUSTER/1l2y_csa_GB0000002_035.pdb b/examples/unres/CSA/GAB/CSA/global/unrestrained/CLUSTER/1l2y_csa_GB0000002_035.pdb new file mode 100644 index 0000000..d193701 --- /dev/null +++ b/examples/unres/CSA/GAB/CSA/global/unrestrained/CLUSTER/1l2y_csa_GB0000002_035.pdb @@ -0,0 +1,59 @@ +REMARK 1l2y ENERGY -8.34800E+01 +ATOM 1 CA ASN 1 3.800 0.000 0.000 +ATOM 2 CB ASN 1 5.465 0.251 -0.037 +ATOM 3 CA LEU 2 4.067 -3.791 0.000 +ATOM 4 CB LEU 2 3.959 -5.712 -0.237 +ATOM 5 CA TYR 3 6.423 -3.711 -2.980 +ATOM 6 CB TYR 3 5.882 -5.668 -4.412 +ATOM 7 CA ILE 4 9.423 -3.585 -0.651 +ATOM 8 CB ILE 4 10.184 -2.083 -0.087 +ATOM 9 CA GLN 5 8.019 -6.532 1.296 +ATOM 10 CB GLN 5 7.158 -5.069 2.756 +ATOM 11 CA TRP 6 7.184 -8.265 -1.981 +ATOM 12 CB TRP 6 6.951 -10.263 -3.636 +ATOM 13 CA LEU 7 10.718 -7.610 -3.215 +ATOM 14 CB LEU 7 10.290 -6.230 -4.507 +ATOM 15 CA LYS 8 12.028 -10.084 -0.645 +ATOM 16 CB LYS 8 9.813 -9.651 0.523 +ATOM 17 CA ASP 9 9.898 -12.818 -2.202 +ATOM 18 CB ASP 9 8.528 -13.041 -1.205 +ATOM 19 CA GLY 10 10.484 -11.574 -5.745 +ATOM 20 CA GLY 11 7.988 -9.383 -7.590 +ATOM 21 CA PRO 12 4.974 -11.598 -8.262 +ATOM 22 CB PRO 12 4.976 -11.543 -9.605 +ATOM 23 CA SER 13 7.153 -14.690 -8.629 +ATOM 24 CB SER 13 6.801 -15.490 -9.377 +ATOM 25 CA SER 14 9.565 -12.911 -10.965 +ATOM 26 CB SER 14 9.000 -12.023 -11.428 +ATOM 27 CA GLY 15 12.802 -11.011 -10.370 +ATOM 28 CA ARG 16 11.392 -7.517 -10.864 +ATOM 29 CB ARG 16 9.029 -6.368 -9.375 +ATOM 30 CA PRO 17 12.969 -4.146 -10.096 +ATOM 31 CB PRO 17 12.178 -3.809 -11.129 +ATOM 32 CA PRO 18 12.848 -2.792 -6.547 +ATOM 33 CB PRO 18 14.177 -2.695 -6.732 +ATOM 34 CA PRO 19 10.562 0.142 -5.771 +ATOM 35 CB PRO 19 9.840 -0.689 -4.998 +ATOM 36 CA SER 20 13.034 1.742 -3.370 +ATOM 37 CB SER 20 13.414 1.031 -2.551 +TER +CONECT 1 3 2 +CONECT 3 5 4 +CONECT 5 7 6 +CONECT 7 9 8 +CONECT 9 11 10 +CONECT 11 13 12 +CONECT 13 15 14 +CONECT 15 17 16 +CONECT 17 19 18 +CONECT 19 20 +CONECT 20 21 +CONECT 21 23 22 +CONECT 23 25 24 +CONECT 25 27 26 +CONECT 27 28 +CONECT 28 30 29 +CONECT 30 32 31 +CONECT 32 34 33 +CONECT 34 35 +CONECT 36 37 diff --git a/examples/unres/CSA/GAB/CSA/global/unrestrained/CLUSTER/1l2y_csa_GB0000003_001.pdb b/examples/unres/CSA/GAB/CSA/global/unrestrained/CLUSTER/1l2y_csa_GB0000003_001.pdb new file mode 100644 index 0000000..220fbbe --- /dev/null +++ b/examples/unres/CSA/GAB/CSA/global/unrestrained/CLUSTER/1l2y_csa_GB0000003_001.pdb @@ -0,0 +1,59 @@ +REMARK 1l2y ENERGY -8.90100E+01 +ATOM 1 CA ASN 1 3.800 0.000 0.000 +ATOM 2 CB ASN 1 5.442 0.347 0.140 +ATOM 3 CA LEU 2 4.060 -3.791 0.000 +ATOM 4 CB LEU 2 4.074 -5.704 -0.316 +ATOM 5 CA TYR 3 6.087 -3.734 -3.213 +ATOM 6 CB TYR 3 5.482 -5.654 -4.668 +ATOM 7 CA ILE 4 9.299 -3.319 -1.225 +ATOM 8 CB ILE 4 10.066 -1.785 -0.764 +ATOM 9 CA GLN 5 8.254 -6.205 1.015 +ATOM 10 CB GLN 5 7.404 -4.716 2.456 +ATOM 11 CA TRP 6 7.357 -8.250 -2.060 +ATOM 12 CB TRP 6 7.370 -10.463 -3.435 +ATOM 13 CA LEU 7 10.588 -7.178 -3.750 +ATOM 14 CB LEU 7 9.976 -5.927 -5.099 +ATOM 15 CA LYS 8 12.569 -8.263 -0.694 +ATOM 16 CB LYS 8 13.114 -5.904 0.079 +ATOM 17 CA ASP 9 10.386 -11.337 -0.217 +ATOM 18 CB ASP 9 9.085 -10.601 0.612 +ATOM 19 CA GLY 10 11.366 -12.681 -3.633 +ATOM 20 CA GLY 11 10.036 -10.893 -6.711 +ATOM 21 CA PRO 12 6.399 -10.607 -7.775 +ATOM 22 CB PRO 12 6.722 -10.739 -9.075 +ATOM 23 CA SER 13 5.138 -14.182 -7.512 +ATOM 24 CB SER 13 4.255 -13.794 -6.885 +ATOM 25 CA SER 14 8.610 -15.600 -8.123 +ATOM 26 CB SER 14 9.402 -14.769 -8.181 +ATOM 27 CA GLY 15 9.148 -16.297 -4.426 +ATOM 28 CA ARG 16 6.205 -16.129 -2.028 +ATOM 29 CB ARG 16 5.850 -13.320 -0.979 +ATOM 30 CA PRO 17 2.911 -14.491 -2.980 +ATOM 31 CB PRO 17 2.427 -15.487 -2.217 +ATOM 32 CA PRO 18 2.495 -10.782 -2.267 +ATOM 33 CB PRO 18 3.096 -10.648 -3.463 +ATOM 34 CA PRO 19 -0.094 -9.916 0.376 +ATOM 35 CB PRO 19 0.772 -9.333 1.224 +ATOM 36 CA SER 20 -1.269 -6.808 -1.466 +ATOM 37 CB SER 20 -0.397 -6.126 -1.780 +TER +CONECT 1 3 2 +CONECT 3 5 4 +CONECT 5 7 6 +CONECT 7 9 8 +CONECT 9 11 10 +CONECT 11 13 12 +CONECT 13 15 14 +CONECT 15 17 16 +CONECT 17 19 18 +CONECT 19 20 +CONECT 20 21 +CONECT 21 23 22 +CONECT 23 25 24 +CONECT 25 27 26 +CONECT 27 28 +CONECT 28 30 29 +CONECT 30 32 31 +CONECT 32 34 33 +CONECT 34 35 +CONECT 36 37 diff --git a/examples/unres/CSA/GAB/CSA/global/unrestrained/CLUSTER/1l2y_csa_GB0000003_002.pdb b/examples/unres/CSA/GAB/CSA/global/unrestrained/CLUSTER/1l2y_csa_GB0000003_002.pdb new file mode 100644 index 0000000..0695890 --- /dev/null +++ b/examples/unres/CSA/GAB/CSA/global/unrestrained/CLUSTER/1l2y_csa_GB0000003_002.pdb @@ -0,0 +1,59 @@ +REMARK 1l2y ENERGY -8.83900E+01 +ATOM 1 CA ASN 1 3.800 0.000 0.000 +ATOM 2 CB ASN 1 5.426 0.402 0.173 +ATOM 3 CA LEU 2 4.056 -3.791 0.000 +ATOM 4 CB LEU 2 3.378 -5.598 0.187 +ATOM 5 CA TYR 3 5.206 -3.808 -3.622 +ATOM 6 CB TYR 3 4.177 -6.006 -4.149 +ATOM 7 CA ILE 4 8.658 -2.590 -2.600 +ATOM 8 CB ILE 4 9.125 -0.877 -2.639 +ATOM 9 CA GLN 5 8.758 -5.120 0.233 +ATOM 10 CB GLN 5 7.660 -3.785 1.658 +ATOM 11 CA TRP 6 7.595 -7.837 -2.155 +ATOM 12 CB TRP 6 5.480 -9.349 -1.988 +ATOM 13 CA LEU 7 9.959 -6.574 -4.850 +ATOM 14 CB LEU 7 8.828 -5.540 -6.037 +ATOM 15 CA LYS 8 12.923 -7.313 -2.590 +ATOM 16 CB LYS 8 12.089 -5.340 -1.222 +ATOM 17 CA ASP 9 11.308 -10.499 -1.295 +ATOM 18 CB ASP 9 9.936 -10.099 -0.357 +ATOM 19 CA GLY 10 12.247 -12.448 -4.419 +ATOM 20 CA GLY 11 11.040 -11.400 -7.866 +ATOM 21 CA PRO 12 7.900 -9.279 -8.152 +ATOM 22 CB PRO 12 7.518 -9.941 -9.259 +ATOM 23 CA SER 13 5.749 -11.359 -5.809 +ATOM 24 CB SER 13 4.747 -11.737 -5.390 +ATOM 25 CA SER 14 7.193 -14.577 -7.222 +ATOM 26 CB SER 14 8.102 -14.389 -7.901 +ATOM 27 CA GLY 15 9.052 -15.519 -4.044 +ATOM 28 CA ARG 16 6.823 -13.558 -1.671 +ATOM 29 CB ARG 16 8.242 -11.630 -3.513 +ATOM 30 CA PRO 17 3.177 -14.448 -1.078 +ATOM 31 CB PRO 17 3.608 -14.200 0.171 +ATOM 32 CA PRO 18 0.684 -13.206 -3.663 +ATOM 33 CB PRO 18 -0.320 -14.088 -3.508 +ATOM 34 CA PRO 19 -1.567 -10.403 -2.432 +ATOM 35 CB PRO 19 -0.457 -9.643 -2.403 +ATOM 36 CA SER 20 -4.710 -11.979 -3.872 +ATOM 37 CB SER 20 -4.499 -12.808 -4.641 +TER +CONECT 1 3 2 +CONECT 3 5 4 +CONECT 5 7 6 +CONECT 7 9 8 +CONECT 9 11 10 +CONECT 11 13 12 +CONECT 13 15 14 +CONECT 15 17 16 +CONECT 17 19 18 +CONECT 19 20 +CONECT 20 21 +CONECT 21 23 22 +CONECT 23 25 24 +CONECT 25 27 26 +CONECT 27 28 +CONECT 28 30 29 +CONECT 30 32 31 +CONECT 32 34 33 +CONECT 34 35 +CONECT 36 37 diff --git a/examples/unres/CSA/GAB/CSA/global/unrestrained/CLUSTER/1l2y_csa_GB0000003_003.pdb b/examples/unres/CSA/GAB/CSA/global/unrestrained/CLUSTER/1l2y_csa_GB0000003_003.pdb new file mode 100644 index 0000000..b577915 --- /dev/null +++ b/examples/unres/CSA/GAB/CSA/global/unrestrained/CLUSTER/1l2y_csa_GB0000003_003.pdb @@ -0,0 +1,59 @@ +REMARK 1l2y ENERGY -8.76000E+01 +ATOM 1 CA ASN 1 3.800 0.000 0.000 +ATOM 2 CB ASN 1 5.445 0.332 0.138 +ATOM 3 CA LEU 2 4.061 -3.791 0.000 +ATOM 4 CB LEU 2 3.841 -5.710 -0.174 +ATOM 5 CA TYR 3 6.108 -3.751 -3.201 +ATOM 6 CB TYR 3 5.289 -5.606 -4.636 +ATOM 7 CA ILE 4 9.331 -3.493 -1.204 +ATOM 8 CB ILE 4 10.064 -1.964 -0.677 +ATOM 9 CA GLN 5 8.094 -6.193 1.167 +ATOM 10 CB GLN 5 7.346 -4.596 2.548 +ATOM 11 CA TRP 6 6.988 -8.271 -1.816 +ATOM 12 CB TRP 6 6.147 -9.845 -3.714 +ATOM 13 CA LEU 7 10.234 -7.442 -3.610 +ATOM 14 CB LEU 7 9.541 -6.974 -5.359 +ATOM 15 CA LYS 8 12.230 -8.740 -0.648 +ATOM 16 CB LYS 8 12.871 -6.413 0.144 +ATOM 17 CA ASP 9 9.892 -11.703 -0.202 +ATOM 18 CB ASP 9 8.457 -10.973 0.370 +ATOM 19 CA GLY 10 11.278 -13.454 -3.277 +ATOM 20 CA GLY 11 9.279 -11.391 -5.764 +ATOM 21 CA PRO 12 8.604 -10.395 -9.369 +ATOM 22 CB PRO 12 7.347 -10.084 -9.007 +ATOM 23 CA SER 13 12.338 -10.398 -10.079 +ATOM 24 CB SER 13 12.959 -9.886 -9.258 +ATOM 25 CA SER 14 12.621 -13.929 -8.703 +ATOM 26 CB SER 14 12.063 -14.036 -7.703 +ATOM 27 CA GLY 15 9.772 -15.233 -10.853 +ATOM 28 CA ARG 16 7.248 -15.579 -8.033 +ATOM 29 CB ARG 16 7.177 -14.409 -5.250 +ATOM 30 CA PRO 17 3.544 -14.786 -8.336 +ATOM 31 CB PRO 17 3.504 -15.836 -7.496 +ATOM 32 CA PRO 18 2.437 -11.187 -7.827 +ATOM 33 CB PRO 18 1.861 -11.385 -9.026 +ATOM 34 CA PRO 19 0.448 -10.350 -4.700 +ATOM 35 CB PRO 19 1.447 -9.605 -4.194 +ATOM 36 CA SER 20 -1.816 -7.904 -6.526 +ATOM 37 CB SER 20 -1.289 -7.342 -7.380 +TER +CONECT 1 3 2 +CONECT 3 5 4 +CONECT 5 7 6 +CONECT 7 9 8 +CONECT 9 11 10 +CONECT 11 13 12 +CONECT 13 15 14 +CONECT 15 17 16 +CONECT 17 19 18 +CONECT 19 20 +CONECT 20 21 +CONECT 21 23 22 +CONECT 23 25 24 +CONECT 25 27 26 +CONECT 27 28 +CONECT 28 30 29 +CONECT 30 32 31 +CONECT 32 34 33 +CONECT 34 35 +CONECT 36 37 diff --git a/examples/unres/CSA/GAB/CSA/global/unrestrained/CLUSTER/1l2y_csa_GB0000003_004.pdb b/examples/unres/CSA/GAB/CSA/global/unrestrained/CLUSTER/1l2y_csa_GB0000003_004.pdb new file mode 100644 index 0000000..d55672a --- /dev/null +++ b/examples/unres/CSA/GAB/CSA/global/unrestrained/CLUSTER/1l2y_csa_GB0000003_004.pdb @@ -0,0 +1,59 @@ +REMARK 1l2y ENERGY -8.72100E+01 +ATOM 1 CA ASN 1 3.800 0.000 0.000 +ATOM 2 CB ASN 1 4.245 0.121 1.620 +ATOM 3 CA LEU 2 4.046 -3.792 0.000 +ATOM 4 CB LEU 2 4.504 -5.646 0.337 +ATOM 5 CA TYR 3 0.328 -4.231 -0.653 +ATOM 6 CB TYR 3 -1.493 -3.591 0.911 +ATOM 7 CA ILE 4 0.857 -7.814 -1.802 +ATOM 8 CB ILE 4 1.800 -8.294 -3.228 +ATOM 9 CA GLN 5 1.150 -8.986 1.801 +ATOM 10 CB GLN 5 2.419 -8.278 3.506 +ATOM 11 CA TRP 6 -1.740 -6.728 2.799 +ATOM 12 CB TRP 6 -3.750 -6.276 4.393 +ATOM 13 CA LEU 7 -3.854 -7.996 -0.092 +ATOM 14 CB LEU 7 -3.616 -6.718 -1.531 +ATOM 15 CA LYS 8 -3.059 -11.593 0.841 +ATOM 16 CB LYS 8 -1.421 -11.957 -1.067 +ATOM 17 CA ASP 9 -3.436 -10.852 4.549 +ATOM 18 CB ASP 9 -1.843 -10.326 4.873 +ATOM 19 CA GLY 10 -6.990 -9.577 4.114 +ATOM 20 CA GLY 11 -7.836 -6.037 3.021 +ATOM 21 CA PRO 12 -7.139 -2.727 4.754 +ATOM 22 CB PRO 12 -8.389 -2.233 4.712 +ATOM 23 CA SER 13 -7.799 -3.285 8.454 +ATOM 24 CB SER 13 -6.789 -2.834 8.766 +ATOM 25 CA SER 14 -10.356 -5.992 7.696 +ATOM 26 CB SER 14 -10.350 -6.164 6.559 +ATOM 27 CA GLY 15 -7.830 -8.762 8.319 +ATOM 28 CA ARG 16 -4.335 -7.958 9.576 +ATOM 29 CB ARG 16 -2.082 -7.387 7.647 +ATOM 30 CA PRO 17 -3.047 -4.385 9.466 +ATOM 31 CB PRO 17 -2.431 -4.784 10.593 +ATOM 32 CA PRO 18 -1.833 -3.141 6.086 +ATOM 33 CB PRO 18 -2.899 -2.334 6.230 +ATOM 34 CA PRO 19 1.893 -2.681 5.501 +ATOM 35 CB PRO 19 1.742 -3.521 4.461 +ATOM 36 CA SER 20 1.417 0.764 3.970 +ATOM 37 CB SER 20 0.507 0.794 3.268 +TER +CONECT 1 3 2 +CONECT 3 5 4 +CONECT 5 7 6 +CONECT 7 9 8 +CONECT 9 11 10 +CONECT 11 13 12 +CONECT 13 15 14 +CONECT 15 17 16 +CONECT 17 19 18 +CONECT 19 20 +CONECT 20 21 +CONECT 21 23 22 +CONECT 23 25 24 +CONECT 25 27 26 +CONECT 27 28 +CONECT 28 30 29 +CONECT 30 32 31 +CONECT 32 34 33 +CONECT 34 35 +CONECT 36 37 diff --git a/examples/unres/CSA/GAB/CSA/global/unrestrained/CLUSTER/1l2y_csa_GB0000003_005.pdb b/examples/unres/CSA/GAB/CSA/global/unrestrained/CLUSTER/1l2y_csa_GB0000003_005.pdb new file mode 100644 index 0000000..5544d3d --- /dev/null +++ b/examples/unres/CSA/GAB/CSA/global/unrestrained/CLUSTER/1l2y_csa_GB0000003_005.pdb @@ -0,0 +1,59 @@ +REMARK 1l2y ENERGY -8.66700E+01 +ATOM 1 CA ASN 1 3.800 0.000 0.000 +ATOM 2 CB ASN 1 5.450 0.299 0.150 +ATOM 3 CA LEU 2 4.063 -3.791 0.000 +ATOM 4 CB LEU 2 3.797 -5.711 -0.016 +ATOM 5 CA TYR 3 6.059 -3.758 -3.234 +ATOM 6 CB TYR 3 5.114 -5.348 -4.892 +ATOM 7 CA ILE 4 9.325 -3.497 -1.309 +ATOM 8 CB ILE 4 10.077 -1.947 -0.878 +ATOM 9 CA GLN 5 8.154 -6.184 1.110 +ATOM 10 CB GLN 5 7.328 -4.631 2.497 +ATOM 11 CA TRP 6 7.008 -8.305 -1.827 +ATOM 12 CB TRP 6 5.332 -9.316 -3.546 +ATOM 13 CA LEU 7 10.340 -7.711 -3.555 +ATOM 14 CB LEU 7 9.571 -6.769 -5.065 +ATOM 15 CA LYS 8 12.171 -8.266 -0.272 +ATOM 16 CB LYS 8 11.607 -6.254 1.174 +ATOM 17 CA ASP 9 10.496 -11.651 0.147 +ATOM 18 CB ASP 9 8.836 -11.336 -0.108 +ATOM 19 CA GLY 10 11.066 -12.478 -3.518 +ATOM 20 CA GLY 11 7.356 -12.661 -4.319 +ATOM 21 CA PRO 12 7.899 -11.730 -7.963 +ATOM 22 CB PRO 12 7.344 -10.549 -7.636 +ATOM 23 CA SER 13 10.735 -14.251 -8.164 +ATOM 24 CB SER 13 11.501 -14.172 -7.310 +ATOM 25 CA SER 14 8.557 -16.905 -6.534 +ATOM 26 CB SER 14 7.950 -16.527 -5.634 +ATOM 27 CA GLY 15 5.768 -16.481 -9.080 +ATOM 28 CA ARG 16 3.259 -15.073 -6.597 +ATOM 29 CB ARG 16 3.782 -13.625 -3.999 +ATOM 30 CA PRO 17 0.329 -12.799 -7.425 +ATOM 31 CB PRO 17 -0.182 -13.494 -6.393 +ATOM 32 CA PRO 18 1.025 -9.072 -7.680 +ATOM 33 CB PRO 18 0.402 -9.205 -8.865 +ATOM 34 CA PRO 19 -0.420 -6.747 -5.045 +ATOM 35 CB PRO 19 0.705 -6.994 -4.350 +ATOM 36 CA SER 20 0.046 -3.654 -7.204 +ATOM 37 CB SER 20 1.173 -3.741 -6.995 +TER +CONECT 1 3 2 +CONECT 3 5 4 +CONECT 5 7 6 +CONECT 7 9 8 +CONECT 9 11 10 +CONECT 11 13 12 +CONECT 13 15 14 +CONECT 15 17 16 +CONECT 17 19 18 +CONECT 19 20 +CONECT 20 21 +CONECT 21 23 22 +CONECT 23 25 24 +CONECT 25 27 26 +CONECT 27 28 +CONECT 28 30 29 +CONECT 30 32 31 +CONECT 32 34 33 +CONECT 34 35 +CONECT 36 37 diff --git a/examples/unres/CSA/GAB/CSA/global/unrestrained/CLUSTER/1l2y_csa_GB0000003_006.pdb b/examples/unres/CSA/GAB/CSA/global/unrestrained/CLUSTER/1l2y_csa_GB0000003_006.pdb new file mode 100644 index 0000000..3e30859 --- /dev/null +++ b/examples/unres/CSA/GAB/CSA/global/unrestrained/CLUSTER/1l2y_csa_GB0000003_006.pdb @@ -0,0 +1,59 @@ +REMARK 1l2y ENERGY -8.66200E+01 +ATOM 1 CA ASN 1 3.800 0.000 0.000 +ATOM 2 CB ASN 1 5.419 0.417 0.200 +ATOM 3 CA LEU 2 4.056 -3.791 0.000 +ATOM 4 CB LEU 2 4.158 -5.723 -0.131 +ATOM 5 CA TYR 3 5.876 -3.754 -3.336 +ATOM 6 CB TYR 3 5.540 -1.303 -3.559 +ATOM 7 CA ILE 4 9.180 -3.310 -1.512 +ATOM 8 CB ILE 4 9.901 -1.729 -1.140 +ATOM 9 CA GLN 5 8.291 -6.272 0.696 +ATOM 10 CB GLN 5 7.746 -4.877 2.361 +ATOM 11 CA TRP 6 7.123 -8.165 -2.385 +ATOM 12 CB TRP 6 6.734 -9.922 -4.269 +ATOM 13 CA LEU 7 10.317 -7.216 -4.211 +ATOM 14 CB LEU 7 9.418 -5.922 -5.341 +ATOM 15 CA LYS 8 12.371 -8.341 -1.218 +ATOM 16 CB LYS 8 12.928 -5.986 -0.443 +ATOM 17 CA ASP 9 10.258 -11.464 -0.748 +ATOM 18 CB ASP 9 8.721 -10.887 -0.273 +ATOM 19 CA GLY 10 12.279 -13.339 -3.364 +ATOM 20 CA GLY 11 10.055 -12.450 -6.314 +ATOM 21 CA PRO 12 8.336 -9.731 -8.336 +ATOM 22 CB PRO 12 8.337 -10.645 -9.323 +ATOM 23 CA SER 13 4.902 -8.512 -7.256 +ATOM 24 CB SER 13 5.224 -7.411 -7.177 +ATOM 25 CA SER 14 3.239 -11.465 -8.975 +ATOM 26 CB SER 14 4.018 -12.086 -9.549 +ATOM 27 CA GLY 15 3.370 -13.688 -5.896 +ATOM 28 CA ARG 16 2.887 -10.899 -3.361 +ATOM 29 CB ARG 16 3.268 -7.966 -3.973 +ATOM 30 CA PRO 17 -0.347 -9.008 -2.724 +ATOM 31 CB PRO 17 0.180 -8.966 -1.487 +ATOM 32 CA PRO 18 -1.117 -6.071 -5.009 +ATOM 33 CB PRO 18 -2.301 -6.695 -5.147 +ATOM 34 CA PRO 19 -0.861 -2.540 -3.629 +ATOM 35 CB PRO 19 0.429 -2.798 -3.353 +ATOM 36 CA SER 20 -4.000 -1.360 -5.416 +ATOM 37 CB SER 20 -4.287 -1.993 -6.333 +TER +CONECT 1 3 2 +CONECT 3 5 4 +CONECT 5 7 6 +CONECT 7 9 8 +CONECT 9 11 10 +CONECT 11 13 12 +CONECT 13 15 14 +CONECT 15 17 16 +CONECT 17 19 18 +CONECT 19 20 +CONECT 20 21 +CONECT 21 23 22 +CONECT 23 25 24 +CONECT 25 27 26 +CONECT 27 28 +CONECT 28 30 29 +CONECT 30 32 31 +CONECT 32 34 33 +CONECT 34 35 +CONECT 36 37 diff --git a/examples/unres/CSA/GAB/CSA/global/unrestrained/CLUSTER/1l2y_csa_GB0000003_007.pdb b/examples/unres/CSA/GAB/CSA/global/unrestrained/CLUSTER/1l2y_csa_GB0000003_007.pdb new file mode 100644 index 0000000..dbe7ea1 --- /dev/null +++ b/examples/unres/CSA/GAB/CSA/global/unrestrained/CLUSTER/1l2y_csa_GB0000003_007.pdb @@ -0,0 +1,59 @@ +REMARK 1l2y ENERGY -8.65000E+01 +ATOM 1 CA ASN 1 3.800 0.000 0.000 +ATOM 2 CB ASN 1 5.217 0.888 0.197 +ATOM 3 CA LEU 2 5.609 -3.342 0.000 +ATOM 4 CB LEU 2 6.137 -4.774 -1.196 +ATOM 5 CA TYR 3 7.393 -4.690 3.072 +ATOM 6 CB TYR 3 9.222 -3.491 4.250 +ATOM 7 CA ILE 4 7.931 -8.093 1.468 +ATOM 8 CB ILE 4 6.654 -9.255 1.056 +ATOM 9 CA GLN 5 10.714 -6.675 -0.697 +ATOM 10 CB GLN 5 10.525 -4.860 -1.996 +ATOM 11 CA TRP 6 12.103 -4.790 2.297 +ATOM 12 CB TRP 6 14.124 -3.746 3.567 +ATOM 13 CA LEU 7 11.933 -7.910 4.459 +ATOM 14 CB LEU 7 10.264 -7.714 5.426 +ATOM 15 CA LYS 8 13.665 -9.948 1.759 +ATOM 16 CB LYS 8 11.572 -11.197 1.042 +ATOM 17 CA ASP 9 16.035 -7.100 0.912 +ATOM 18 CB ASP 9 14.998 -6.283 -0.172 +ATOM 19 CA GLY 10 17.445 -6.999 4.439 +ATOM 20 CA GLY 11 15.566 -5.376 7.316 +ATOM 21 CA PRO 12 14.533 -1.760 7.860 +ATOM 22 CB PRO 12 15.118 -1.567 9.055 +ATOM 23 CA SER 13 17.430 0.342 6.582 +ATOM 24 CB SER 13 17.823 1.160 7.288 +ATOM 25 CA SER 14 19.946 -2.354 7.500 +ATOM 26 CB SER 14 19.361 -3.273 7.867 +ATOM 27 CA GLY 15 20.173 -3.619 3.924 +ATOM 28 CA ARG 16 18.696 -1.794 0.935 +ATOM 29 CB ARG 16 15.785 -2.317 0.325 +ATOM 30 CA PRO 17 16.349 1.102 1.671 +ATOM 31 CB PRO 17 16.762 1.496 0.454 +ATOM 32 CA PRO 18 12.877 0.147 2.886 +ATOM 33 CB PRO 18 13.441 0.467 4.064 +ATOM 34 CA PRO 19 9.912 0.610 0.554 +ATOM 35 CB PRO 19 9.689 -0.716 0.562 +ATOM 36 CA SER 20 7.640 1.803 3.357 +ATOM 37 CB SER 20 7.598 0.743 3.803 +TER +CONECT 1 3 2 +CONECT 3 5 4 +CONECT 5 7 6 +CONECT 7 9 8 +CONECT 9 11 10 +CONECT 11 13 12 +CONECT 13 15 14 +CONECT 15 17 16 +CONECT 17 19 18 +CONECT 19 20 +CONECT 20 21 +CONECT 21 23 22 +CONECT 23 25 24 +CONECT 25 27 26 +CONECT 27 28 +CONECT 28 30 29 +CONECT 30 32 31 +CONECT 32 34 33 +CONECT 34 35 +CONECT 36 37 diff --git a/examples/unres/CSA/GAB/CSA/global/unrestrained/CLUSTER/1l2y_csa_GB0000003_008.pdb b/examples/unres/CSA/GAB/CSA/global/unrestrained/CLUSTER/1l2y_csa_GB0000003_008.pdb new file mode 100644 index 0000000..e2fb09b --- /dev/null +++ b/examples/unres/CSA/GAB/CSA/global/unrestrained/CLUSTER/1l2y_csa_GB0000003_008.pdb @@ -0,0 +1,59 @@ +REMARK 1l2y ENERGY -8.64400E+01 +ATOM 1 CA ASN 1 3.800 0.000 0.000 +ATOM 2 CB ASN 1 5.423 0.410 0.185 +ATOM 3 CA LEU 2 4.056 -3.791 0.000 +ATOM 4 CB LEU 2 3.479 -5.623 0.268 +ATOM 5 CA TYR 3 4.889 -3.836 -3.707 +ATOM 6 CB TYR 3 4.093 -4.391 -5.994 +ATOM 7 CA ILE 4 8.464 -2.737 -3.033 +ATOM 8 CB ILE 4 9.037 -1.082 -2.739 +ATOM 9 CA GLN 5 8.723 -5.192 -0.145 +ATOM 10 CB GLN 5 7.808 -3.555 1.080 +ATOM 11 CA TRP 6 7.305 -7.933 -2.361 +ATOM 12 CB TRP 6 4.964 -7.813 -3.498 +ATOM 13 CA LEU 7 9.535 -6.776 -5.212 +ATOM 14 CB LEU 7 8.266 -6.586 -6.665 +ATOM 15 CA LYS 8 12.564 -7.073 -2.937 +ATOM 16 CB LYS 8 12.704 -4.661 -2.149 +ATOM 17 CA ASP 9 11.625 -10.666 -2.136 +ATOM 18 CB ASP 9 10.399 -10.542 -0.952 +ATOM 19 CA GLY 10 12.404 -11.784 -5.683 +ATOM 20 CA GLY 11 9.818 -14.567 -5.763 +ATOM 21 CA PRO 12 6.927 -12.122 -6.086 +ATOM 22 CB PRO 12 7.595 -11.360 -5.201 +ATOM 23 CA SER 13 8.855 -10.199 -8.737 +ATOM 24 CB SER 13 9.982 -10.070 -8.548 +ATOM 25 CA SER 14 9.083 -13.330 -10.880 +ATOM 26 CB SER 14 8.614 -13.645 -9.878 +ATOM 27 CA GLY 15 9.531 -11.306 -14.065 +ATOM 28 CA ARG 16 6.144 -9.596 -13.849 +ATOM 29 CB ARG 16 5.598 -11.123 -11.301 +ATOM 30 CA PRO 17 4.639 -7.149 -11.362 +ATOM 31 CB PRO 17 4.133 -6.617 -12.489 +ATOM 32 CA PRO 18 2.314 -8.364 -8.612 +ATOM 33 CB PRO 18 3.471 -8.821 -8.101 +ATOM 34 CA PRO 19 0.063 -5.749 -7.020 +ATOM 35 CB PRO 19 -0.910 -5.931 -7.929 +ATOM 36 CA SER 20 -1.031 -8.045 -4.196 +ATOM 37 CB SER 20 -1.677 -8.943 -4.512 +TER +CONECT 1 3 2 +CONECT 3 5 4 +CONECT 5 7 6 +CONECT 7 9 8 +CONECT 9 11 10 +CONECT 11 13 12 +CONECT 13 15 14 +CONECT 15 17 16 +CONECT 17 19 18 +CONECT 19 20 +CONECT 20 21 +CONECT 21 23 22 +CONECT 23 25 24 +CONECT 25 27 26 +CONECT 27 28 +CONECT 28 30 29 +CONECT 30 32 31 +CONECT 32 34 33 +CONECT 34 35 +CONECT 36 37 diff --git a/examples/unres/CSA/GAB/CSA/global/unrestrained/CLUSTER/1l2y_csa_GB0000003_009.pdb b/examples/unres/CSA/GAB/CSA/global/unrestrained/CLUSTER/1l2y_csa_GB0000003_009.pdb new file mode 100644 index 0000000..75a131d --- /dev/null +++ b/examples/unres/CSA/GAB/CSA/global/unrestrained/CLUSTER/1l2y_csa_GB0000003_009.pdb @@ -0,0 +1,59 @@ +REMARK 1l2y ENERGY -8.64300E+01 +ATOM 1 CA ASN 1 3.800 0.000 0.000 +ATOM 2 CB ASN 1 5.426 0.406 0.170 +ATOM 3 CA LEU 2 4.056 -3.791 0.000 +ATOM 4 CB LEU 2 3.405 -5.616 0.085 +ATOM 5 CA TYR 3 5.284 -3.806 -3.596 +ATOM 6 CB TYR 3 4.314 -6.035 -4.109 +ATOM 7 CA ILE 4 8.722 -2.594 -2.525 +ATOM 8 CB ILE 4 9.207 -0.886 -2.565 +ATOM 9 CA GLN 5 8.800 -5.126 0.308 +ATOM 10 CB GLN 5 7.647 -3.826 1.721 +ATOM 11 CA TRP 6 7.368 -7.768 -2.018 +ATOM 12 CB TRP 6 5.517 -9.600 -1.963 +ATOM 13 CA LEU 7 9.869 -6.811 -4.713 +ATOM 14 CB LEU 7 8.824 -5.687 -5.898 +ATOM 15 CA LYS 8 12.729 -7.651 -2.357 +ATOM 16 CB LYS 8 11.984 -5.568 -1.107 +ATOM 17 CA ASP 9 10.991 -10.828 -1.206 +ATOM 18 CB ASP 9 9.643 -10.362 -0.265 +ATOM 19 CA GLY 10 12.106 -12.732 -4.301 +ATOM 20 CA GLY 11 10.980 -11.591 -7.746 +ATOM 21 CA PRO 12 7.820 -9.490 -7.954 +ATOM 22 CB PRO 12 7.441 -10.127 -9.077 +ATOM 23 CA SER 13 5.717 -11.715 -5.704 +ATOM 24 CB SER 13 4.663 -12.077 -5.418 +ATOM 25 CA SER 14 7.206 -14.836 -7.279 +ATOM 26 CB SER 14 8.107 -14.606 -7.955 +ATOM 27 CA GLY 15 9.082 -15.933 -4.162 +ATOM 28 CA ARG 16 6.800 -14.201 -1.665 +ATOM 29 CB ARG 16 8.107 -12.094 -3.390 +ATOM 30 CA PRO 17 3.159 -15.184 -1.203 +ATOM 31 CB PRO 17 3.579 -15.091 0.071 +ATOM 32 CA PRO 18 0.713 -13.654 -3.677 +ATOM 33 CB PRO 18 -0.198 -14.637 -3.566 +ATOM 34 CA PRO 19 -1.455 -10.935 -2.143 +ATOM 35 CB PRO 19 -0.297 -10.263 -2.273 +ATOM 36 CA SER 20 -5.124 -10.881 -3.129 +ATOM 37 CB SER 20 -5.868 -10.582 -2.305 +TER +CONECT 1 3 2 +CONECT 3 5 4 +CONECT 5 7 6 +CONECT 7 9 8 +CONECT 9 11 10 +CONECT 11 13 12 +CONECT 13 15 14 +CONECT 15 17 16 +CONECT 17 19 18 +CONECT 19 20 +CONECT 20 21 +CONECT 21 23 22 +CONECT 23 25 24 +CONECT 25 27 26 +CONECT 27 28 +CONECT 28 30 29 +CONECT 30 32 31 +CONECT 32 34 33 +CONECT 34 35 +CONECT 36 37 diff --git a/examples/unres/CSA/GAB/CSA/global/unrestrained/CLUSTER/1l2y_csa_GB0000003_010.pdb b/examples/unres/CSA/GAB/CSA/global/unrestrained/CLUSTER/1l2y_csa_GB0000003_010.pdb new file mode 100644 index 0000000..6af5734 --- /dev/null +++ b/examples/unres/CSA/GAB/CSA/global/unrestrained/CLUSTER/1l2y_csa_GB0000003_010.pdb @@ -0,0 +1,59 @@ +REMARK 1l2y ENERGY -8.62300E+01 +ATOM 1 CA ASN 1 3.800 0.000 0.000 +ATOM 2 CB ASN 1 5.427 0.391 0.186 +ATOM 3 CA LEU 2 4.057 -3.791 0.000 +ATOM 4 CB LEU 2 3.574 -5.663 -0.151 +ATOM 5 CA TYR 3 5.703 -3.780 -3.425 +ATOM 6 CB TYR 3 4.872 -5.842 -4.533 +ATOM 7 CA ILE 4 9.095 -2.972 -1.915 +ATOM 8 CB ILE 4 9.747 -1.331 -1.720 +ATOM 9 CA GLN 5 8.468 -5.427 0.917 +ATOM 10 CB GLN 5 7.435 -3.803 2.063 +ATOM 11 CA TRP 6 7.232 -7.998 -1.593 +ATOM 12 CB TRP 6 7.238 -10.231 -2.934 +ATOM 13 CA LEU 7 10.095 -7.145 -3.942 +ATOM 14 CB LEU 7 9.180 -6.608 -5.565 +ATOM 15 CA LYS 8 12.605 -7.824 -1.171 +ATOM 16 CB LYS 8 13.149 -5.363 -0.851 +ATOM 17 CA ASP 9 10.533 -10.708 0.183 +ATOM 18 CB ASP 9 9.402 -9.789 1.075 +ATOM 19 CA GLY 10 10.883 -12.688 -3.042 +ATOM 20 CA GLY 11 9.873 -11.475 -6.498 +ATOM 21 CA PRO 12 6.376 -10.146 -7.167 +ATOM 22 CB PRO 12 5.664 -11.178 -7.653 +ATOM 23 CA SER 13 3.913 -11.105 -4.438 +ATOM 24 CB SER 13 3.413 -10.775 -3.456 +ATOM 25 CA SER 14 0.997 -11.187 -6.873 +ATOM 26 CB SER 14 1.258 -10.937 -7.965 +ATOM 27 CA GLY 15 1.066 -14.968 -7.249 +ATOM 28 CA ARG 16 2.625 -15.702 -3.862 +ATOM 29 CB ARG 16 4.476 -14.047 -2.143 +ATOM 30 CA PRO 17 0.891 -14.759 -0.615 +ATOM 31 CB PRO 17 1.301 -16.005 -0.319 +ATOM 32 CA PRO 18 1.416 -11.166 0.506 +ATOM 33 CB PRO 18 0.118 -11.195 0.855 +ATOM 34 CA PRO 19 3.758 -10.480 3.419 +ATOM 35 CB PRO 19 4.592 -10.187 2.405 +ATOM 36 CA SER 20 1.633 -7.619 4.736 +ATOM 37 CB SER 20 1.415 -6.820 3.937 +TER +CONECT 1 3 2 +CONECT 3 5 4 +CONECT 5 7 6 +CONECT 7 9 8 +CONECT 9 11 10 +CONECT 11 13 12 +CONECT 13 15 14 +CONECT 15 17 16 +CONECT 17 19 18 +CONECT 19 20 +CONECT 20 21 +CONECT 21 23 22 +CONECT 23 25 24 +CONECT 25 27 26 +CONECT 27 28 +CONECT 28 30 29 +CONECT 30 32 31 +CONECT 32 34 33 +CONECT 34 35 +CONECT 36 37 diff --git a/examples/unres/CSA/GAB/CSA/global/unrestrained/CLUSTER/1l2y_csa_GB0000003_011.pdb b/examples/unres/CSA/GAB/CSA/global/unrestrained/CLUSTER/1l2y_csa_GB0000003_011.pdb new file mode 100644 index 0000000..1396fdc --- /dev/null +++ b/examples/unres/CSA/GAB/CSA/global/unrestrained/CLUSTER/1l2y_csa_GB0000003_011.pdb @@ -0,0 +1,59 @@ +REMARK 1l2y ENERGY -8.61900E+01 +ATOM 1 CA ASN 1 3.800 0.000 0.000 +ATOM 2 CB ASN 1 5.275 0.734 0.348 +ATOM 3 CA LEU 2 4.040 -3.792 0.000 +ATOM 4 CB LEU 2 3.181 -5.507 0.287 +ATOM 5 CA TYR 3 4.820 -3.963 -3.715 +ATOM 6 CB TYR 3 5.771 -1.713 -3.264 +ATOM 7 CA ILE 4 7.775 -5.462 -5.576 +ATOM 8 CB ILE 4 7.462 -6.830 -6.665 +ATOM 9 CA GLN 5 9.461 -2.079 -5.963 +ATOM 10 CB GLN 5 7.816 -0.698 -6.600 +ATOM 11 CA TRP 6 9.431 -1.552 -2.200 +ATOM 12 CB TRP 6 10.275 0.588 -0.977 +ATOM 13 CA LEU 7 10.146 -5.230 -1.568 +ATOM 14 CB LEU 7 8.481 -6.185 -1.289 +ATOM 15 CA LYS 8 13.310 -5.008 -3.660 +ATOM 16 CB LYS 8 12.428 -6.428 -5.574 +ATOM 17 CA ASP 9 14.173 -1.575 -2.279 +ATOM 18 CB ASP 9 13.303 -0.574 -3.356 +ATOM 19 CA GLY 10 14.740 -3.030 1.186 +ATOM 20 CA GLY 11 11.442 -4.242 2.634 +ATOM 21 CA PRO 12 9.072 -1.272 2.659 +ATOM 22 CB PRO 12 8.266 -1.920 1.800 +ATOM 23 CA SER 13 10.784 0.266 5.683 +ATOM 24 CB SER 13 11.205 -0.482 6.448 +ATOM 25 CA SER 14 14.048 0.928 3.853 +ATOM 26 CB SER 14 13.803 0.951 2.730 +ATOM 27 CA GLY 15 16.030 4.158 4.125 +ATOM 28 CA ARG 16 14.582 5.740 0.988 +ATOM 29 CB ARG 16 13.578 4.359 -1.503 +ATOM 30 CA PRO 17 11.097 6.985 0.126 +ATOM 31 CB PRO 17 11.840 8.039 -0.256 +ATOM 32 CA PRO 18 8.607 4.476 -1.269 +ATOM 33 CB PRO 18 7.738 5.102 -0.455 +ATOM 34 CA PRO 19 7.935 4.482 -5.009 +ATOM 35 CB PRO 19 8.693 3.372 -4.940 +ATOM 36 CA SER 20 4.230 3.767 -4.560 +ATOM 37 CB SER 20 4.038 2.926 -3.800 +TER +CONECT 1 3 2 +CONECT 3 5 4 +CONECT 5 7 6 +CONECT 7 9 8 +CONECT 9 11 10 +CONECT 11 13 12 +CONECT 13 15 14 +CONECT 15 17 16 +CONECT 17 19 18 +CONECT 19 20 +CONECT 20 21 +CONECT 21 23 22 +CONECT 23 25 24 +CONECT 25 27 26 +CONECT 27 28 +CONECT 28 30 29 +CONECT 30 32 31 +CONECT 32 34 33 +CONECT 34 35 +CONECT 36 37 diff --git a/examples/unres/CSA/GAB/CSA/global/unrestrained/CLUSTER/1l2y_csa_GB0000003_012.pdb b/examples/unres/CSA/GAB/CSA/global/unrestrained/CLUSTER/1l2y_csa_GB0000003_012.pdb new file mode 100644 index 0000000..a6bc114 --- /dev/null +++ b/examples/unres/CSA/GAB/CSA/global/unrestrained/CLUSTER/1l2y_csa_GB0000003_012.pdb @@ -0,0 +1,59 @@ +REMARK 1l2y ENERGY -8.59200E+01 +ATOM 1 CA ASN 1 3.800 0.000 0.000 +ATOM 2 CB ASN 1 5.438 0.245 0.306 +ATOM 3 CA LEU 2 4.061 -3.791 0.000 +ATOM 4 CB LEU 2 3.368 -5.593 0.182 +ATOM 5 CA TYR 3 5.293 -3.905 -3.593 +ATOM 6 CB TYR 3 5.468 -1.428 -3.597 +ATOM 7 CA ILE 4 8.802 -4.541 -4.905 +ATOM 8 CB ILE 4 9.016 -6.135 -5.658 +ATOM 9 CA GLN 5 9.161 -0.998 -6.230 +ATOM 10 CB GLN 5 7.173 -0.541 -7.155 +ATOM 11 CA TRP 6 9.079 0.415 -2.703 +ATOM 12 CB TRP 6 10.027 2.042 -0.904 +ATOM 13 CA LEU 7 10.928 -2.592 -1.297 +ATOM 14 CB LEU 7 9.307 -3.136 -0.384 +ATOM 15 CA LYS 8 13.777 -2.075 -3.759 +ATOM 16 CB LYS 8 13.489 -4.161 -5.181 +ATOM 17 CA ASP 9 13.502 1.707 -3.508 +ATOM 18 CB ASP 9 12.252 1.859 -4.664 +ATOM 19 CA GLY 10 14.394 1.619 0.185 +ATOM 20 CA GLY 11 11.726 0.431 2.615 +ATOM 21 CA PRO 12 8.412 2.168 3.279 +ATOM 22 CB PRO 12 8.434 1.813 4.576 +ATOM 23 CA SER 13 9.417 5.786 3.858 +ATOM 24 CB SER 13 8.752 6.125 2.983 +ATOM 25 CA SER 14 12.863 4.781 5.105 +ATOM 26 CB SER 14 13.032 3.649 4.993 +ATOM 27 CA GLY 15 14.485 5.641 1.778 +ATOM 28 CA ARG 16 12.465 7.488 -0.859 +ATOM 29 CB ARG 16 10.885 5.615 -2.624 +ATOM 30 CA PRO 17 8.693 7.941 -0.875 +ATOM 31 CB PRO 17 9.052 9.109 -1.436 +ATOM 32 CA PRO 18 6.668 5.038 -2.258 +ATOM 33 CB PRO 18 6.719 4.541 -1.009 +ATOM 34 CA PRO 19 5.022 5.539 -5.646 +ATOM 35 CB PRO 19 5.724 4.495 -6.123 +ATOM 36 CA SER 20 1.903 3.607 -4.658 +ATOM 37 CB SER 20 2.174 2.622 -4.132 +TER +CONECT 1 3 2 +CONECT 3 5 4 +CONECT 5 7 6 +CONECT 7 9 8 +CONECT 9 11 10 +CONECT 11 13 12 +CONECT 13 15 14 +CONECT 15 17 16 +CONECT 17 19 18 +CONECT 19 20 +CONECT 20 21 +CONECT 21 23 22 +CONECT 23 25 24 +CONECT 25 27 26 +CONECT 27 28 +CONECT 28 30 29 +CONECT 30 32 31 +CONECT 32 34 33 +CONECT 34 35 +CONECT 36 37 diff --git a/examples/unres/CSA/GAB/CSA/global/unrestrained/CLUSTER/1l2y_csa_GB0000003_013.pdb b/examples/unres/CSA/GAB/CSA/global/unrestrained/CLUSTER/1l2y_csa_GB0000003_013.pdb new file mode 100644 index 0000000..ad0889e --- /dev/null +++ b/examples/unres/CSA/GAB/CSA/global/unrestrained/CLUSTER/1l2y_csa_GB0000003_013.pdb @@ -0,0 +1,59 @@ +REMARK 1l2y ENERGY -8.58600E+01 +ATOM 1 CA ASN 1 3.800 0.000 0.000 +ATOM 2 CB ASN 1 5.316 0.601 0.420 +ATOM 3 CA LEU 2 4.045 -3.792 0.000 +ATOM 4 CB LEU 2 3.447 -5.552 0.551 +ATOM 5 CA TYR 3 3.789 -4.010 -3.785 +ATOM 6 CB TYR 3 4.623 -1.688 -3.499 +ATOM 7 CA ILE 4 6.154 -5.694 -6.236 +ATOM 8 CB ILE 4 5.610 -7.044 -7.255 +ATOM 9 CA GLN 5 7.917 -2.415 -6.997 +ATOM 10 CB GLN 5 7.354 -0.292 -6.556 +ATOM 11 CA TRP 6 8.455 -1.805 -3.285 +ATOM 12 CB TRP 6 8.991 0.504 -2.207 +ATOM 13 CA LEU 7 9.216 -5.475 -2.661 +ATOM 14 CB LEU 7 7.740 -6.650 -2.215 +ATOM 15 CA LYS 8 11.824 -5.450 -5.425 +ATOM 16 CB LYS 8 10.579 -6.810 -7.174 +ATOM 17 CA ASP 9 13.267 -2.144 -4.232 +ATOM 18 CB ASP 9 12.181 -0.936 -4.763 +ATOM 19 CA GLY 10 15.091 -3.850 -1.368 +ATOM 20 CA GLY 11 13.058 -5.337 1.478 +ATOM 21 CA PRO 12 9.545 -3.988 2.002 +ATOM 22 CB PRO 12 9.706 -3.908 3.335 +ATOM 23 CA SER 13 10.476 -0.315 1.714 +ATOM 24 CB SER 13 10.366 0.816 1.891 +ATOM 25 CA SER 14 13.612 -0.881 3.784 +ATOM 26 CB SER 14 13.826 -2.001 3.941 +ATOM 27 CA GLY 15 16.032 -0.252 0.922 +ATOM 28 CA ARG 16 13.681 1.882 -1.166 +ATOM 29 CB ARG 16 12.390 -0.841 -0.983 +ATOM 30 CA PRO 17 12.445 5.381 -0.346 +ATOM 31 CB PRO 17 12.774 5.498 -1.645 +ATOM 32 CA PRO 18 9.439 5.593 1.970 +ATOM 33 CB PRO 18 9.591 6.837 2.457 +ATOM 34 CA PRO 19 6.250 6.611 0.173 +ATOM 35 CB PRO 19 6.330 5.413 -0.434 +ATOM 36 CA SER 20 5.251 9.100 2.865 +ATOM 37 CB SER 20 5.847 8.977 3.841 +TER +CONECT 1 3 2 +CONECT 3 5 4 +CONECT 5 7 6 +CONECT 7 9 8 +CONECT 9 11 10 +CONECT 11 13 12 +CONECT 13 15 14 +CONECT 15 17 16 +CONECT 17 19 18 +CONECT 19 20 +CONECT 20 21 +CONECT 21 23 22 +CONECT 23 25 24 +CONECT 25 27 26 +CONECT 27 28 +CONECT 28 30 29 +CONECT 30 32 31 +CONECT 32 34 33 +CONECT 34 35 +CONECT 36 37 diff --git a/examples/unres/CSA/GAB/CSA/global/unrestrained/CLUSTER/1l2y_csa_GB0000003_014.pdb b/examples/unres/CSA/GAB/CSA/global/unrestrained/CLUSTER/1l2y_csa_GB0000003_014.pdb new file mode 100644 index 0000000..cbb34c3 --- /dev/null +++ b/examples/unres/CSA/GAB/CSA/global/unrestrained/CLUSTER/1l2y_csa_GB0000003_014.pdb @@ -0,0 +1,59 @@ +REMARK 1l2y ENERGY -8.58400E+01 +ATOM 1 CA ASN 1 3.800 0.000 0.000 +ATOM 2 CB ASN 1 5.439 0.352 0.155 +ATOM 3 CA LEU 2 4.060 -3.791 0.000 +ATOM 4 CB LEU 2 3.794 -5.703 -0.185 +ATOM 5 CA TYR 3 6.051 -3.757 -3.236 +ATOM 6 CB TYR 3 5.179 -5.632 -4.612 +ATOM 7 CA ILE 4 9.309 -3.400 -1.313 +ATOM 8 CB ILE 4 10.036 -1.847 -0.851 +ATOM 9 CA GLN 5 8.160 -6.028 1.180 +ATOM 10 CB GLN 5 7.339 -4.390 2.469 +ATOM 11 CA TRP 6 7.031 -8.236 -1.698 +ATOM 12 CB TRP 6 6.069 -9.793 -3.553 +ATOM 13 CA LEU 7 10.210 -7.400 -3.603 +ATOM 14 CB LEU 7 9.443 -7.001 -5.339 +ATOM 15 CA LYS 8 12.307 -8.604 -0.671 +ATOM 16 CB LYS 8 12.940 -6.244 0.025 +ATOM 17 CA ASP 9 9.985 -11.549 -0.054 +ATOM 18 CB ASP 9 8.594 -10.779 0.573 +ATOM 19 CA GLY 10 11.243 -13.387 -3.132 +ATOM 20 CA GLY 11 9.139 -11.406 -5.600 +ATOM 21 CA PRO 12 8.376 -10.551 -9.223 +ATOM 22 CB PRO 12 7.121 -10.227 -8.863 +ATOM 23 CA SER 13 12.089 -10.649 -10.025 +ATOM 24 CB SER 13 12.742 -10.120 -9.240 +ATOM 25 CA SER 14 12.338 -14.130 -8.521 +ATOM 26 CB SER 14 11.818 -14.187 -7.497 +ATOM 27 CA GLY 15 9.334 -15.418 -10.460 +ATOM 28 CA ARG 16 6.945 -15.558 -7.509 +ATOM 29 CB ARG 16 6.961 -14.301 -4.763 +ATOM 30 CA PRO 17 3.233 -14.789 -7.774 +ATOM 31 CB PRO 17 3.217 -15.783 -6.868 +ATOM 32 CA PRO 18 2.090 -11.178 -7.468 +ATOM 33 CB PRO 18 1.480 -11.447 -8.636 +ATOM 34 CA PRO 19 0.036 -10.174 -4.432 +ATOM 35 CB PRO 19 1.168 -9.566 -4.036 +ATOM 36 CA SER 20 -3.116 -8.108 -4.915 +ATOM 37 CB SER 20 -4.026 -8.594 -4.409 +TER +CONECT 1 3 2 +CONECT 3 5 4 +CONECT 5 7 6 +CONECT 7 9 8 +CONECT 9 11 10 +CONECT 11 13 12 +CONECT 13 15 14 +CONECT 15 17 16 +CONECT 17 19 18 +CONECT 19 20 +CONECT 20 21 +CONECT 21 23 22 +CONECT 23 25 24 +CONECT 25 27 26 +CONECT 27 28 +CONECT 28 30 29 +CONECT 30 32 31 +CONECT 32 34 33 +CONECT 34 35 +CONECT 36 37 diff --git a/examples/unres/CSA/GAB/CSA/global/unrestrained/CLUSTER/1l2y_csa_GB0000003_015.pdb b/examples/unres/CSA/GAB/CSA/global/unrestrained/CLUSTER/1l2y_csa_GB0000003_015.pdb new file mode 100644 index 0000000..b9968b6 --- /dev/null +++ b/examples/unres/CSA/GAB/CSA/global/unrestrained/CLUSTER/1l2y_csa_GB0000003_015.pdb @@ -0,0 +1,59 @@ +REMARK 1l2y ENERGY -8.57700E+01 +ATOM 1 CA ASN 1 3.800 0.000 0.000 +ATOM 2 CB ASN 1 5.411 0.433 0.228 +ATOM 3 CA LEU 2 4.054 -3.791 0.000 +ATOM 4 CB LEU 2 3.111 -5.426 0.445 +ATOM 5 CA TYR 3 4.400 -3.859 -3.784 +ATOM 6 CB TYR 3 3.986 -6.248 -4.323 +ATOM 7 CA ILE 4 7.864 -2.318 -3.524 +ATOM 8 CB ILE 4 8.260 -0.604 -3.280 +ATOM 9 CA GLN 5 8.997 -5.318 -1.485 +ATOM 10 CB GLN 5 7.707 -6.385 0.003 +ATOM 11 CA TRP 6 7.444 -7.677 -4.027 +ATOM 12 CB TRP 6 6.963 -10.189 -4.521 +ATOM 13 CA LEU 7 8.872 -5.605 -6.875 +ATOM 14 CB LEU 7 7.254 -4.687 -7.422 +ATOM 15 CA LYS 8 12.328 -5.779 -5.305 +ATOM 16 CB LYS 8 12.408 -3.364 -4.521 +ATOM 17 CA ASP 9 11.922 -9.467 -4.482 +ATOM 18 CB ASP 9 10.900 -9.627 -3.122 +ATOM 19 CA GLY 10 11.953 -10.363 -8.175 +ATOM 20 CA GLY 11 8.836 -9.002 -9.871 +ATOM 21 CA PRO 12 5.647 -10.539 -8.491 +ATOM 22 CB PRO 12 5.175 -9.292 -8.318 +ATOM 23 CA SER 13 6.488 -13.951 -9.938 +ATOM 24 CB SER 13 7.086 -13.936 -10.920 +ATOM 25 CA SER 14 9.460 -14.438 -7.620 +ATOM 26 CB SER 14 9.572 -13.610 -6.829 +ATOM 27 CA GLY 15 7.711 -17.203 -5.686 +ATOM 28 CA ARG 16 4.368 -16.011 -4.329 +ATOM 29 CB ARG 16 4.241 -15.506 -1.354 +ATOM 30 CA PRO 17 3.237 -12.482 -3.490 +ATOM 31 CB PRO 17 2.088 -13.011 -3.949 +ATOM 32 CA PRO 18 4.183 -11.199 -0.041 +ATOM 33 CB PRO 18 4.567 -10.088 -0.696 +ATOM 34 CA PRO 19 1.516 -10.674 2.614 +ATOM 35 CB PRO 19 1.886 -11.869 3.110 +ATOM 36 CA SER 20 3.362 -7.778 4.239 +ATOM 37 CB SER 20 4.509 -7.839 4.190 +TER +CONECT 1 3 2 +CONECT 3 5 4 +CONECT 5 7 6 +CONECT 7 9 8 +CONECT 9 11 10 +CONECT 11 13 12 +CONECT 13 15 14 +CONECT 15 17 16 +CONECT 17 19 18 +CONECT 19 20 +CONECT 20 21 +CONECT 21 23 22 +CONECT 23 25 24 +CONECT 25 27 26 +CONECT 27 28 +CONECT 28 30 29 +CONECT 30 32 31 +CONECT 32 34 33 +CONECT 34 35 +CONECT 36 37 diff --git a/examples/unres/CSA/GAB/CSA/global/unrestrained/CLUSTER/1l2y_csa_GB0000003_016.pdb b/examples/unres/CSA/GAB/CSA/global/unrestrained/CLUSTER/1l2y_csa_GB0000003_016.pdb new file mode 100644 index 0000000..8fd6d00 --- /dev/null +++ b/examples/unres/CSA/GAB/CSA/global/unrestrained/CLUSTER/1l2y_csa_GB0000003_016.pdb @@ -0,0 +1,59 @@ +REMARK 1l2y ENERGY -8.57000E+01 +ATOM 1 CA ASN 1 3.800 0.000 0.000 +ATOM 2 CB ASN 1 5.448 0.310 0.156 +ATOM 3 CA LEU 2 4.061 -3.791 0.000 +ATOM 4 CB LEU 2 3.752 -5.705 -0.016 +ATOM 5 CA TYR 3 6.028 -3.762 -3.251 +ATOM 6 CB TYR 3 5.068 -5.356 -4.896 +ATOM 7 CA ILE 4 9.312 -3.408 -1.372 +ATOM 8 CB ILE 4 10.060 -1.842 -0.996 +ATOM 9 CA GLN 5 8.209 -6.032 1.145 +ATOM 10 CB GLN 5 7.308 -4.457 2.458 +ATOM 11 CA TRP 6 7.088 -8.276 -1.709 +ATOM 12 CB TRP 6 5.352 -9.216 -3.409 +ATOM 13 CA LEU 7 10.385 -7.657 -3.493 +ATOM 14 CB LEU 7 9.581 -6.753 -5.008 +ATOM 15 CA LYS 8 12.264 -8.094 -0.219 +ATOM 16 CB LYS 8 11.629 -6.076 1.189 +ATOM 17 CA ASP 9 10.643 -11.488 0.318 +ATOM 18 CB ASP 9 8.973 -11.190 0.104 +ATOM 19 CA GLY 10 11.117 -12.393 -3.342 +ATOM 20 CA GLY 11 7.386 -12.549 -4.046 +ATOM 21 CA PRO 12 7.859 -11.777 -7.736 +ATOM 22 CB PRO 12 7.316 -10.578 -7.458 +ATOM 23 CA SER 13 10.633 -14.370 -7.887 +ATOM 24 CB SER 13 11.423 -14.269 -7.058 +ATOM 25 CA SER 14 8.433 -16.882 -6.074 +ATOM 26 CB SER 14 7.880 -16.463 -5.157 +ATOM 27 CA GLY 15 5.554 -16.444 -8.515 +ATOM 28 CA ARG 16 3.206 -14.811 -6.013 +ATOM 29 CB ARG 16 3.810 -13.320 -3.458 +ATOM 30 CA PRO 17 0.249 -12.597 -6.904 +ATOM 31 CB PRO 17 -0.226 -13.225 -5.814 +ATOM 32 CA PRO 18 0.866 -8.888 -7.456 +ATOM 33 CB PRO 18 0.142 -9.084 -8.573 +ATOM 34 CA PRO 19 -0.523 -6.428 -4.915 +ATOM 35 CB PRO 19 0.609 -6.790 -4.286 +ATOM 36 CA SER 20 -2.158 -3.259 -6.230 +ATOM 37 CB SER 20 -3.220 -3.122 -5.811 +TER +CONECT 1 3 2 +CONECT 3 5 4 +CONECT 5 7 6 +CONECT 7 9 8 +CONECT 9 11 10 +CONECT 11 13 12 +CONECT 13 15 14 +CONECT 15 17 16 +CONECT 17 19 18 +CONECT 19 20 +CONECT 20 21 +CONECT 21 23 22 +CONECT 23 25 24 +CONECT 25 27 26 +CONECT 27 28 +CONECT 28 30 29 +CONECT 30 32 31 +CONECT 32 34 33 +CONECT 34 35 +CONECT 36 37 diff --git a/examples/unres/CSA/GAB/CSA/global/unrestrained/CLUSTER/1l2y_csa_GB0000003_017.pdb b/examples/unres/CSA/GAB/CSA/global/unrestrained/CLUSTER/1l2y_csa_GB0000003_017.pdb new file mode 100644 index 0000000..3dfe0a4 --- /dev/null +++ b/examples/unres/CSA/GAB/CSA/global/unrestrained/CLUSTER/1l2y_csa_GB0000003_017.pdb @@ -0,0 +1,59 @@ +REMARK 1l2y ENERGY -8.56800E+01 +ATOM 1 CA ASN 1 3.800 0.000 0.000 +ATOM 2 CB ASN 1 5.443 0.345 0.131 +ATOM 3 CA LEU 2 4.060 -3.791 0.000 +ATOM 4 CB LEU 2 3.780 -5.702 -0.173 +ATOM 5 CA TYR 3 6.126 -3.752 -3.189 +ATOM 6 CB TYR 3 5.102 -5.677 -4.379 +ATOM 7 CA ILE 4 9.319 -3.439 -1.153 +ATOM 8 CB ILE 4 10.077 -1.897 -0.701 +ATOM 9 CA GLN 5 8.164 -6.264 1.110 +ATOM 10 CB GLN 5 7.282 -4.768 2.525 +ATOM 11 CA TRP 6 7.085 -8.245 -1.948 +ATOM 12 CB TRP 6 5.707 -10.002 -3.289 +ATOM 13 CA LEU 7 10.386 -7.406 -3.634 +ATOM 14 CB LEU 7 9.677 -6.255 -5.024 +ATOM 15 CA LYS 8 12.254 -8.671 -0.576 +ATOM 16 CB LYS 8 12.420 -6.431 0.612 +ATOM 17 CA ASP 9 10.402 -11.984 -0.761 +ATOM 18 CB ASP 9 8.788 -11.604 -0.348 +ATOM 19 CA GLY 10 12.608 -13.200 -3.607 +ATOM 20 CA GLY 11 12.803 -13.104 -7.401 +ATOM 21 CA PRO 12 9.610 -15.123 -7.805 +ATOM 22 CB PRO 12 10.120 -16.055 -6.981 +ATOM 23 CA SER 13 7.849 -12.750 -5.416 +ATOM 24 CB SER 13 8.511 -12.481 -4.515 +ATOM 25 CA SER 14 9.203 -9.821 -7.423 +ATOM 26 CB SER 14 10.266 -9.934 -7.848 +ATOM 27 CA GLY 15 7.199 -10.783 -10.506 +ATOM 28 CA ARG 16 4.274 -12.309 -8.620 +ATOM 29 CB ARG 16 5.590 -14.515 -7.032 +ATOM 30 CA PRO 17 1.264 -10.905 -6.774 +ATOM 31 CB PRO 17 0.800 -12.102 -7.176 +ATOM 32 CA PRO 18 1.705 -9.345 -3.337 +ATOM 33 CB PRO 18 0.862 -8.410 -3.811 +ATOM 34 CA PRO 19 0.667 -11.373 -0.296 +ATOM 35 CB PRO 19 2.000 -11.545 -0.236 +ATOM 36 CA SER 20 -0.916 -8.382 1.432 +ATOM 37 CB SER 20 -0.481 -7.365 1.115 +TER +CONECT 1 3 2 +CONECT 3 5 4 +CONECT 5 7 6 +CONECT 7 9 8 +CONECT 9 11 10 +CONECT 11 13 12 +CONECT 13 15 14 +CONECT 15 17 16 +CONECT 17 19 18 +CONECT 19 20 +CONECT 20 21 +CONECT 21 23 22 +CONECT 23 25 24 +CONECT 25 27 26 +CONECT 27 28 +CONECT 28 30 29 +CONECT 30 32 31 +CONECT 32 34 33 +CONECT 34 35 +CONECT 36 37 diff --git a/examples/unres/CSA/GAB/CSA/global/unrestrained/CLUSTER/1l2y_csa_GB0000003_018.pdb b/examples/unres/CSA/GAB/CSA/global/unrestrained/CLUSTER/1l2y_csa_GB0000003_018.pdb new file mode 100644 index 0000000..3ae8014 --- /dev/null +++ b/examples/unres/CSA/GAB/CSA/global/unrestrained/CLUSTER/1l2y_csa_GB0000003_018.pdb @@ -0,0 +1,59 @@ +REMARK 1l2y ENERGY -8.56400E+01 +ATOM 1 CA ASN 1 3.800 0.000 0.000 +ATOM 2 CB ASN 1 4.337 0.211 1.582 +ATOM 3 CA LEU 2 4.046 -3.792 0.000 +ATOM 4 CB LEU 2 4.189 -5.661 0.496 +ATOM 5 CA TYR 3 0.914 -4.184 -2.116 +ATOM 6 CB TYR 3 -1.283 -3.377 -1.285 +ATOM 7 CA ILE 4 1.822 -7.773 -2.973 +ATOM 8 CB ILE 4 3.268 -8.266 -3.878 +ATOM 9 CA GLN 5 0.459 -8.981 0.362 +ATOM 10 CB GLN 5 0.971 -8.600 2.509 +ATOM 11 CA TRP 6 -2.474 -6.587 0.031 +ATOM 12 CB TRP 6 -4.987 -5.943 0.267 +ATOM 13 CA LEU 7 -3.158 -7.809 -3.502 +ATOM 14 CB LEU 7 -2.321 -6.423 -4.569 +ATOM 15 CA LYS 8 -3.201 -11.406 -2.278 +ATOM 16 CB LYS 8 -0.882 -11.857 -3.215 +ATOM 17 CA ASP 9 -5.129 -10.453 0.854 +ATOM 18 CB ASP 9 -3.756 -10.012 1.770 +ATOM 19 CA GLY 10 -8.087 -9.202 -1.178 +ATOM 20 CA GLY 11 -7.707 -5.983 -3.162 +ATOM 21 CA PRO 12 -6.938 -2.477 -1.914 +ATOM 22 CB PRO 12 -7.867 -1.882 -2.685 +ATOM 23 CA SER 13 -9.189 -2.009 1.112 +ATOM 24 CB SER 13 -8.193 -1.902 1.677 +ATOM 25 CA SER 14 -11.853 -4.268 -0.385 +ATOM 26 CB SER 14 -11.482 -4.692 -1.387 +ATOM 27 CA GLY 15 -10.716 -7.244 1.687 +ATOM 28 CA ARG 16 -8.175 -6.652 4.450 +ATOM 29 CB ARG 16 -5.196 -6.760 3.967 +ATOM 30 CA PRO 17 -6.223 -3.502 5.289 +ATOM 31 CB PRO 17 -6.471 -3.953 6.532 +ATOM 32 CA PRO 18 -3.262 -2.649 3.066 +ATOM 33 CB PRO 18 -3.722 -1.389 3.166 +ATOM 34 CA PRO 19 0.267 -3.225 4.352 +ATOM 35 CB PRO 19 0.272 -4.021 3.267 +ATOM 36 CA SER 20 2.417 -0.179 5.082 +ATOM 37 CB SER 20 2.834 -0.202 6.153 +TER +CONECT 1 3 2 +CONECT 3 5 4 +CONECT 5 7 6 +CONECT 7 9 8 +CONECT 9 11 10 +CONECT 11 13 12 +CONECT 13 15 14 +CONECT 15 17 16 +CONECT 17 19 18 +CONECT 19 20 +CONECT 20 21 +CONECT 21 23 22 +CONECT 23 25 24 +CONECT 25 27 26 +CONECT 27 28 +CONECT 28 30 29 +CONECT 30 32 31 +CONECT 32 34 33 +CONECT 34 35 +CONECT 36 37 diff --git a/examples/unres/CSA/GAB/CSA/global/unrestrained/CLUSTER/1l2y_csa_GB0000003_019.pdb b/examples/unres/CSA/GAB/CSA/global/unrestrained/CLUSTER/1l2y_csa_GB0000003_019.pdb new file mode 100644 index 0000000..d6cae53 --- /dev/null +++ b/examples/unres/CSA/GAB/CSA/global/unrestrained/CLUSTER/1l2y_csa_GB0000003_019.pdb @@ -0,0 +1,59 @@ +REMARK 1l2y ENERGY -8.56200E+01 +ATOM 1 CA ASN 1 3.800 0.000 0.000 +ATOM 2 CB ASN 1 5.363 0.500 0.379 +ATOM 3 CA LEU 2 4.050 -3.792 0.000 +ATOM 4 CB LEU 2 3.321 -5.536 0.430 +ATOM 5 CA TYR 3 4.315 -3.969 -3.787 +ATOM 6 CB TYR 3 5.216 -1.675 -3.475 +ATOM 7 CA ILE 4 6.901 -5.696 -5.971 +ATOM 8 CB ILE 4 6.435 -7.035 -7.041 +ATOM 9 CA GLN 5 8.873 -2.482 -6.445 +ATOM 10 CB GLN 5 7.762 -0.541 -6.579 +ATOM 11 CA TRP 6 8.877 -1.875 -2.694 +ATOM 12 CB TRP 6 9.651 0.364 -1.609 +ATOM 13 CA LEU 7 9.616 -5.534 -1.981 +ATOM 14 CB LEU 7 8.001 -6.592 -1.805 +ATOM 15 CA LYS 8 12.333 -5.549 -4.637 +ATOM 16 CB LYS 8 11.134 -5.406 -6.872 +ATOM 17 CA ASP 9 14.518 -3.271 -2.521 +ATOM 18 CB ASP 9 13.714 -1.779 -2.300 +ATOM 19 CA GLY 10 12.935 -4.466 0.720 +ATOM 20 CA GLY 11 11.497 -1.033 1.484 +ATOM 21 CA PRO 12 8.456 -2.446 3.272 +ATOM 22 CB PRO 12 8.046 -2.726 2.022 +ATOM 23 CA SER 13 10.763 -4.737 5.241 +ATOM 24 CB SER 13 11.543 -5.277 4.590 +ATOM 25 CA SER 14 12.933 -1.750 6.143 +ATOM 26 CB SER 14 13.296 -1.163 5.223 +ATOM 27 CA GLY 15 9.997 0.571 6.803 +ATOM 28 CA ARG 16 11.014 3.104 4.160 +ATOM 29 CB ARG 16 12.848 2.271 1.910 +ATOM 30 CA PRO 17 8.905 5.535 2.139 +ATOM 31 CB PRO 17 10.006 6.273 2.370 +ATOM 32 CA PRO 18 7.176 4.191 -0.966 +ATOM 33 CB PRO 18 6.106 4.838 -0.470 +ATOM 34 CA PRO 19 8.399 5.154 -4.432 +ATOM 35 CB PRO 19 8.836 3.887 -4.541 +ATOM 36 CA SER 20 4.896 5.063 -5.901 +ATOM 37 CB SER 20 4.820 3.996 -5.478 +TER +CONECT 1 3 2 +CONECT 3 5 4 +CONECT 5 7 6 +CONECT 7 9 8 +CONECT 9 11 10 +CONECT 11 13 12 +CONECT 13 15 14 +CONECT 15 17 16 +CONECT 17 19 18 +CONECT 19 20 +CONECT 20 21 +CONECT 21 23 22 +CONECT 23 25 24 +CONECT 25 27 26 +CONECT 27 28 +CONECT 28 30 29 +CONECT 30 32 31 +CONECT 32 34 33 +CONECT 34 35 +CONECT 36 37 diff --git a/examples/unres/CSA/GAB/CSA/global/unrestrained/CLUSTER/1l2y_csa_GB0000003_020.pdb b/examples/unres/CSA/GAB/CSA/global/unrestrained/CLUSTER/1l2y_csa_GB0000003_020.pdb new file mode 100644 index 0000000..0102f9b --- /dev/null +++ b/examples/unres/CSA/GAB/CSA/global/unrestrained/CLUSTER/1l2y_csa_GB0000003_020.pdb @@ -0,0 +1,59 @@ +REMARK 1l2y ENERGY -8.56100E+01 +ATOM 1 CA ASN 1 3.800 0.000 0.000 +ATOM 2 CB ASN 1 5.449 0.319 0.120 +ATOM 3 CA LEU 2 4.062 -3.791 0.000 +ATOM 4 CB LEU 2 3.832 -5.710 -0.160 +ATOM 5 CA TYR 3 6.141 -3.748 -3.180 +ATOM 6 CB TYR 3 5.153 -5.586 -4.528 +ATOM 7 CA ILE 4 9.345 -3.340 -1.178 +ATOM 8 CB ILE 4 10.133 -1.788 -0.829 +ATOM 9 CA GLN 5 8.140 -5.907 1.351 +ATOM 10 CB GLN 5 7.251 -4.258 2.580 +ATOM 11 CA TRP 6 7.137 -8.224 -1.489 +ATOM 12 CB TRP 6 6.356 -9.550 -3.591 +ATOM 13 CA LEU 7 10.478 -7.631 -3.200 +ATOM 14 CB LEU 7 9.888 -6.514 -4.670 +ATOM 15 CA LYS 8 12.285 -8.310 0.074 +ATOM 16 CB LYS 8 12.827 -5.906 0.692 +ATOM 17 CA ASP 9 10.106 -11.361 0.693 +ATOM 18 CB ASP 9 8.655 -10.576 1.141 +ATOM 19 CA GLY 10 11.608 -13.177 -2.287 +ATOM 20 CA GLY 11 9.303 -16.186 -2.028 +ATOM 21 CA PRO 12 6.285 -14.212 -3.227 +ATOM 22 CB PRO 12 6.225 -13.403 -2.155 +ATOM 23 CA SER 13 8.457 -12.483 -5.822 +ATOM 24 CB SER 13 9.245 -11.814 -5.319 +ATOM 25 CA SER 14 8.974 -15.825 -7.557 +ATOM 26 CB SER 14 8.651 -16.075 -6.482 +ATOM 27 CA GLY 15 7.723 -14.418 -10.858 +ATOM 28 CA ARG 16 4.174 -13.800 -9.650 +ATOM 29 CB ARG 16 3.684 -14.670 -6.800 +ATOM 30 CA PRO 17 2.316 -11.249 -7.534 +ATOM 31 CB PRO 17 1.453 -11.429 -8.550 +ATOM 32 CA PRO 18 2.081 -11.847 -3.789 +ATOM 33 CB PRO 18 2.239 -10.522 -3.628 +ATOM 34 CA PRO 19 -1.192 -12.951 -2.203 +ATOM 35 CB PRO 19 -0.538 -14.121 -2.103 +ATOM 36 CA SER 20 -0.742 -10.652 0.789 +ATOM 37 CB SER 20 0.324 -10.222 0.833 +TER +CONECT 1 3 2 +CONECT 3 5 4 +CONECT 5 7 6 +CONECT 7 9 8 +CONECT 9 11 10 +CONECT 11 13 12 +CONECT 13 15 14 +CONECT 15 17 16 +CONECT 17 19 18 +CONECT 19 20 +CONECT 20 21 +CONECT 21 23 22 +CONECT 23 25 24 +CONECT 25 27 26 +CONECT 27 28 +CONECT 28 30 29 +CONECT 30 32 31 +CONECT 32 34 33 +CONECT 34 35 +CONECT 36 37 diff --git a/examples/unres/CSA/GAB/CSA/global/unrestrained/CLUSTER/1l2y_csa_GB0000003_021.pdb b/examples/unres/CSA/GAB/CSA/global/unrestrained/CLUSTER/1l2y_csa_GB0000003_021.pdb new file mode 100644 index 0000000..d4e149e --- /dev/null +++ b/examples/unres/CSA/GAB/CSA/global/unrestrained/CLUSTER/1l2y_csa_GB0000003_021.pdb @@ -0,0 +1,59 @@ +REMARK 1l2y ENERGY -8.54800E+01 +ATOM 1 CA ASN 1 3.800 0.000 0.000 +ATOM 2 CB ASN 1 5.206 0.881 0.288 +ATOM 3 CA LEU 2 5.461 -3.418 0.000 +ATOM 4 CB LEU 2 5.512 -5.261 -0.600 +ATOM 5 CA TYR 3 9.248 -3.487 0.307 +ATOM 6 CB TYR 3 9.533 -1.112 0.978 +ATOM 7 CA ILE 4 9.609 -5.285 -3.021 +ATOM 8 CB ILE 4 9.534 -7.048 -3.224 +ATOM 9 CA GLN 5 7.609 -2.553 -4.747 +ATOM 10 CB GLN 5 5.894 -1.596 -3.669 +ATOM 11 CA TRP 6 9.494 0.094 -2.776 +ATOM 12 CB TRP 6 9.340 2.481 -1.744 +ATOM 13 CA LEU 7 12.783 -1.651 -3.536 +ATOM 14 CB LEU 7 13.162 -2.461 -1.816 +ATOM 15 CA LYS 8 11.907 -1.744 -7.233 +ATOM 16 CB LYS 8 11.241 -4.196 -7.267 +ATOM 17 CA ASP 9 10.804 1.892 -7.194 +ATOM 18 CB ASP 9 9.394 2.019 -6.237 +ATOM 19 CA GLY 10 14.387 3.109 -7.536 +ATOM 20 CA GLY 11 16.890 2.213 -4.821 +ATOM 21 CA PRO 12 15.561 1.390 -1.357 +ATOM 22 CB PRO 12 16.578 2.056 -0.781 +ATOM 23 CA SER 13 13.246 4.390 -1.071 +ATOM 24 CB SER 13 12.733 5.209 -0.447 +ATOM 25 CA SER 14 15.802 6.636 -2.763 +ATOM 26 CB SER 14 16.685 6.050 -3.210 +ATOM 27 CA GLY 15 13.762 7.119 -5.933 +ATOM 28 CA ARG 16 10.384 6.352 -4.372 +ATOM 29 CB ARG 16 12.059 3.846 -4.193 +ATOM 30 CA PRO 17 8.723 8.647 -1.839 +ATOM 31 CB PRO 17 7.668 8.183 -2.532 +ATOM 32 CA PRO 18 10.054 8.459 1.715 +ATOM 33 CB PRO 18 9.717 9.664 2.208 +ATOM 34 CA PRO 19 7.628 6.721 4.067 +ATOM 35 CB PRO 19 7.790 5.647 3.274 +ATOM 36 CA SER 20 8.262 9.169 6.903 +ATOM 37 CB SER 20 9.175 9.844 6.719 +TER +CONECT 1 3 2 +CONECT 3 5 4 +CONECT 5 7 6 +CONECT 7 9 8 +CONECT 9 11 10 +CONECT 11 13 12 +CONECT 13 15 14 +CONECT 15 17 16 +CONECT 17 19 18 +CONECT 19 20 +CONECT 20 21 +CONECT 21 23 22 +CONECT 23 25 24 +CONECT 25 27 26 +CONECT 27 28 +CONECT 28 30 29 +CONECT 30 32 31 +CONECT 32 34 33 +CONECT 34 35 +CONECT 36 37 diff --git a/examples/unres/CSA/GAB/CSA/global/unrestrained/CLUSTER/1l2y_csa_GB0000003_022.pdb b/examples/unres/CSA/GAB/CSA/global/unrestrained/CLUSTER/1l2y_csa_GB0000003_022.pdb new file mode 100644 index 0000000..32e6010 --- /dev/null +++ b/examples/unres/CSA/GAB/CSA/global/unrestrained/CLUSTER/1l2y_csa_GB0000003_022.pdb @@ -0,0 +1,59 @@ +REMARK 1l2y ENERGY -8.54400E+01 +ATOM 1 CA ASN 1 3.800 0.000 0.000 +ATOM 2 CB ASN 1 4.365 0.221 1.571 +ATOM 3 CA LEU 2 4.046 -3.792 0.000 +ATOM 4 CB LEU 2 3.857 -5.546 0.805 +ATOM 5 CA TYR 3 1.505 -4.165 -2.801 +ATOM 6 CB TYR 3 2.131 -3.216 -5.009 +ATOM 7 CA ILE 4 1.750 -7.796 -3.893 +ATOM 8 CB ILE 4 2.121 -8.927 -2.575 +ATOM 9 CA GLN 5 -1.277 -7.453 -6.165 +ATOM 10 CB GLN 5 -2.668 -6.905 -4.496 +ATOM 11 CA TRP 6 0.571 -4.870 -8.251 +ATOM 12 CB TRP 6 1.256 -3.669 -10.459 +ATOM 13 CA LEU 7 3.788 -6.887 -8.119 +ATOM 14 CB LEU 7 4.924 -6.257 -6.679 +ATOM 15 CA LYS 8 1.975 -9.949 -9.454 +ATOM 16 CB LYS 8 2.117 -11.212 -7.254 +ATOM 17 CA ASP 9 -0.187 -7.845 -11.765 +ATOM 18 CB ASP 9 -1.329 -7.411 -10.570 +ATOM 19 CA GLY 10 2.848 -6.635 -13.706 +ATOM 20 CA GLY 11 5.205 -4.125 -12.100 +ATOM 21 CA PRO 12 4.637 -0.498 -11.119 +ATOM 22 CB PRO 12 5.744 -0.002 -11.701 +ATOM 23 CA SER 13 2.737 1.076 -14.009 +ATOM 24 CB SER 13 1.843 1.413 -13.368 +ATOM 25 CA SER 14 4.269 -1.364 -16.486 +ATOM 26 CB SER 14 4.933 -2.112 -15.918 +ATOM 27 CA GLY 15 1.200 -3.602 -16.367 +ATOM 28 CA ARG 16 -1.863 -2.495 -14.409 +ATOM 29 CB ARG 16 -2.352 -3.405 -11.571 +ATOM 30 CA PRO 17 -2.030 0.372 -11.921 +ATOM 31 CB PRO 17 -3.309 0.388 -12.336 +ATOM 32 CA PRO 18 -0.545 -0.284 -8.485 +ATOM 33 CB PRO 18 0.545 0.306 -9.008 +ATOM 34 CA PRO 19 -2.911 -0.845 -5.565 +ATOM 35 CB PRO 19 -2.321 -2.053 -5.516 +ATOM 36 CA SER 20 -0.841 1.276 -3.187 +ATOM 37 CB SER 20 -0.031 0.463 -3.110 +TER +CONECT 1 3 2 +CONECT 3 5 4 +CONECT 5 7 6 +CONECT 7 9 8 +CONECT 9 11 10 +CONECT 11 13 12 +CONECT 13 15 14 +CONECT 15 17 16 +CONECT 17 19 18 +CONECT 19 20 +CONECT 20 21 +CONECT 21 23 22 +CONECT 23 25 24 +CONECT 25 27 26 +CONECT 27 28 +CONECT 28 30 29 +CONECT 30 32 31 +CONECT 32 34 33 +CONECT 34 35 +CONECT 36 37 diff --git a/examples/unres/CSA/GAB/CSA/global/unrestrained/CLUSTER/1l2y_csa_GB0000003_023.pdb b/examples/unres/CSA/GAB/CSA/global/unrestrained/CLUSTER/1l2y_csa_GB0000003_023.pdb new file mode 100644 index 0000000..0a05d80 --- /dev/null +++ b/examples/unres/CSA/GAB/CSA/global/unrestrained/CLUSTER/1l2y_csa_GB0000003_023.pdb @@ -0,0 +1,59 @@ +REMARK 1l2y ENERGY -8.52700E+01 +ATOM 1 CA ASN 1 3.800 0.000 0.000 +ATOM 2 CB ASN 1 4.207 0.069 1.633 +ATOM 3 CA LEU 2 4.046 -3.792 0.000 +ATOM 4 CB LEU 2 4.385 -5.607 0.593 +ATOM 5 CA TYR 3 0.298 -4.214 -0.462 +ATOM 6 CB TYR 3 -0.234 -2.764 1.484 +ATOM 7 CA ILE 4 0.639 -7.981 -0.827 +ATOM 8 CB ILE 4 1.128 -8.876 -2.280 +ATOM 9 CA GLN 5 1.653 -8.301 2.822 +ATOM 10 CB GLN 5 2.517 -7.370 4.667 +ATOM 11 CA TRP 6 -0.848 -5.611 3.796 +ATOM 12 CB TRP 6 -1.085 -4.150 5.939 +ATOM 13 CA LEU 7 -3.575 -7.387 1.833 +ATOM 14 CB LEU 7 -3.532 -6.399 0.164 +ATOM 15 CA LYS 8 -2.682 -10.687 3.492 +ATOM 16 CB LYS 8 -1.517 -11.609 1.430 +ATOM 17 CA ASP 9 -2.442 -9.097 6.935 +ATOM 18 CB ASP 9 -1.085 -8.110 7.262 +ATOM 19 CA GLY 10 -6.161 -8.320 6.969 +ATOM 20 CA GLY 11 -6.855 -5.499 4.520 +ATOM 21 CA PRO 12 -4.614 -2.443 4.789 +ATOM 22 CB PRO 12 -4.405 -2.539 3.464 +ATOM 23 CA SER 13 -5.957 -1.537 8.227 +ATOM 24 CB SER 13 -7.031 -1.886 8.443 +ATOM 25 CA SER 14 -4.166 -4.446 9.891 +ATOM 26 CB SER 14 -4.274 -4.864 8.825 +ATOM 27 CA GLY 15 -2.440 -2.175 12.402 +ATOM 28 CA ARG 16 -0.282 0.158 10.318 +ATOM 29 CB ARG 16 2.615 -0.681 10.162 +ATOM 30 CA PRO 17 0.923 -0.231 6.735 +ATOM 31 CB PRO 17 0.803 1.106 6.814 +ATOM 32 CA PRO 18 3.998 -2.402 6.214 +ATOM 33 CB PRO 18 3.302 -2.937 5.195 +ATOM 34 CA PRO 19 7.311 -0.802 5.263 +ATOM 35 CB PRO 19 7.670 -0.942 6.551 +ATOM 36 CA SER 20 8.442 -3.808 3.232 +ATOM 37 CB SER 20 7.811 -4.747 3.438 +TER +CONECT 1 3 2 +CONECT 3 5 4 +CONECT 5 7 6 +CONECT 7 9 8 +CONECT 9 11 10 +CONECT 11 13 12 +CONECT 13 15 14 +CONECT 15 17 16 +CONECT 17 19 18 +CONECT 19 20 +CONECT 20 21 +CONECT 21 23 22 +CONECT 23 25 24 +CONECT 25 27 26 +CONECT 27 28 +CONECT 28 30 29 +CONECT 30 32 31 +CONECT 32 34 33 +CONECT 34 35 +CONECT 36 37 diff --git a/examples/unres/CSA/GAB/CSA/global/unrestrained/CLUSTER/1l2y_csa_GB0000003_024.pdb b/examples/unres/CSA/GAB/CSA/global/unrestrained/CLUSTER/1l2y_csa_GB0000003_024.pdb new file mode 100644 index 0000000..cd53479 --- /dev/null +++ b/examples/unres/CSA/GAB/CSA/global/unrestrained/CLUSTER/1l2y_csa_GB0000003_024.pdb @@ -0,0 +1,59 @@ +REMARK 1l2y ENERGY -8.52400E+01 +ATOM 1 CA ASN 1 3.800 0.000 0.000 +ATOM 2 CB ASN 1 5.425 0.413 0.155 +ATOM 3 CA LEU 2 4.057 -3.791 0.000 +ATOM 4 CB LEU 2 3.932 -5.697 -0.337 +ATOM 5 CA TYR 3 6.075 -3.742 -3.220 +ATOM 6 CB TYR 3 5.846 -1.295 -3.582 +ATOM 7 CA ILE 4 9.302 -3.344 -1.254 +ATOM 8 CB ILE 4 10.027 -1.773 -0.852 +ATOM 9 CA GLN 5 8.232 -6.160 1.063 +ATOM 10 CB GLN 5 7.337 -4.691 2.498 +ATOM 11 CA TRP 6 7.089 -8.218 -1.920 +ATOM 12 CB TRP 6 6.913 -10.811 -1.736 +ATOM 13 CA LEU 7 10.220 -7.297 -3.866 +ATOM 14 CB LEU 7 9.063 -6.371 -5.116 +ATOM 15 CA LYS 8 12.372 -7.952 -0.804 +ATOM 16 CB LYS 8 12.944 -5.631 0.058 +ATOM 17 CA ASP 9 10.634 -11.285 -0.243 +ATOM 18 CB ASP 9 9.592 -10.914 1.059 +ATOM 19 CA GLY 10 11.602 -12.448 -3.729 +ATOM 20 CA GLY 11 8.817 -15.019 -4.008 +ATOM 21 CA PRO 12 6.633 -12.762 -6.147 +ATOM 22 CB PRO 12 6.669 -11.453 -5.841 +ATOM 23 CA SER 13 9.663 -11.787 -8.222 +ATOM 24 CB SER 13 10.078 -10.843 -7.713 +ATOM 25 CA SER 14 10.666 -15.440 -8.516 +ATOM 26 CB SER 14 10.044 -16.132 -7.840 +ATOM 27 CA GLY 15 8.861 -15.984 -11.815 +ATOM 28 CA ARG 16 5.615 -14.242 -10.888 +ATOM 29 CB ARG 16 6.005 -15.901 -8.395 +ATOM 30 CA PRO 17 4.707 -10.582 -11.361 +ATOM 31 CB PRO 17 3.572 -11.209 -11.717 +ATOM 32 CA PRO 18 5.869 -8.011 -8.815 +ATOM 33 CB PRO 18 5.818 -6.924 -9.606 +ATOM 34 CA PRO 19 3.052 -6.606 -6.686 +ATOM 35 CB PRO 19 3.863 -6.830 -5.636 +ATOM 36 CA SER 20 3.518 -3.091 -8.053 +ATOM 37 CB SER 20 4.481 -3.022 -7.429 +TER +CONECT 1 3 2 +CONECT 3 5 4 +CONECT 5 7 6 +CONECT 7 9 8 +CONECT 9 11 10 +CONECT 11 13 12 +CONECT 13 15 14 +CONECT 15 17 16 +CONECT 17 19 18 +CONECT 19 20 +CONECT 20 21 +CONECT 21 23 22 +CONECT 23 25 24 +CONECT 25 27 26 +CONECT 27 28 +CONECT 28 30 29 +CONECT 30 32 31 +CONECT 32 34 33 +CONECT 34 35 +CONECT 36 37 diff --git a/examples/unres/CSA/GAB/CSA/global/unrestrained/CLUSTER/1l2y_csa_GB0000003_025.pdb b/examples/unres/CSA/GAB/CSA/global/unrestrained/CLUSTER/1l2y_csa_GB0000003_025.pdb new file mode 100644 index 0000000..d7602fe --- /dev/null +++ b/examples/unres/CSA/GAB/CSA/global/unrestrained/CLUSTER/1l2y_csa_GB0000003_025.pdb @@ -0,0 +1,59 @@ +REMARK 1l2y ENERGY -8.51100E+01 +ATOM 1 CA ASN 1 3.800 0.000 0.000 +ATOM 2 CB ASN 1 5.430 0.396 0.148 +ATOM 3 CA LEU 2 4.058 -3.791 0.000 +ATOM 4 CB LEU 2 3.918 -5.702 -0.297 +ATOM 5 CA TYR 3 6.086 -3.745 -3.213 +ATOM 6 CB TYR 3 5.909 -1.294 -3.574 +ATOM 7 CA ILE 4 9.298 -3.358 -1.220 +ATOM 8 CB ILE 4 10.052 -1.795 -0.841 +ATOM 9 CA GLN 5 8.266 -6.265 0.999 +ATOM 10 CB GLN 5 7.225 -5.100 2.605 +ATOM 11 CA TRP 6 7.098 -8.211 -2.048 +ATOM 12 CB TRP 6 6.042 -10.361 -3.071 +ATOM 13 CA LEU 7 10.259 -7.249 -3.925 +ATOM 14 CB LEU 7 9.291 -6.016 -5.066 +ATOM 15 CA LYS 8 12.391 -8.430 -1.010 +ATOM 16 CB LYS 8 13.061 -6.079 -0.317 +ATOM 17 CA ASP 9 10.169 -11.457 -0.425 +ATOM 18 CB ASP 9 8.628 -12.195 -0.387 +ATOM 19 CA GLY 10 12.321 -13.620 -2.691 +ATOM 20 CA GLY 11 14.430 -11.167 -4.685 +ATOM 21 CA PRO 12 11.563 -9.995 -6.886 +ATOM 22 CB PRO 12 12.134 -10.545 -7.973 +ATOM 23 CA SER 13 9.193 -12.799 -5.906 +ATOM 24 CB SER 13 8.989 -12.768 -4.775 +ATOM 25 CA SER 14 6.066 -10.921 -6.973 +ATOM 26 CB SER 14 6.103 -10.420 -8.007 +ATOM 27 CA GLY 15 4.251 -14.128 -7.900 +ATOM 28 CA ARG 16 5.338 -16.044 -4.804 +ATOM 29 CB ARG 16 7.676 -15.775 -2.911 +ATOM 30 CA PRO 17 3.176 -15.104 -1.824 +ATOM 31 CB PRO 17 3.714 -16.257 -1.386 +ATOM 32 CA PRO 18 3.319 -11.563 -0.453 +ATOM 33 CB PRO 18 1.978 -11.651 -0.510 +ATOM 34 CA PRO 19 5.002 -10.922 2.893 +ATOM 35 CB PRO 19 5.784 -10.091 2.180 +ATOM 36 CA SER 20 2.220 -8.644 4.122 +ATOM 37 CB SER 20 1.856 -7.870 3.352 +TER +CONECT 1 3 2 +CONECT 3 5 4 +CONECT 5 7 6 +CONECT 7 9 8 +CONECT 9 11 10 +CONECT 11 13 12 +CONECT 13 15 14 +CONECT 15 17 16 +CONECT 17 19 18 +CONECT 19 20 +CONECT 20 21 +CONECT 21 23 22 +CONECT 23 25 24 +CONECT 25 27 26 +CONECT 27 28 +CONECT 28 30 29 +CONECT 30 32 31 +CONECT 32 34 33 +CONECT 34 35 +CONECT 36 37 diff --git a/examples/unres/CSA/GAB/CSA/global/unrestrained/CLUSTER/1l2y_csa_GB0000003_026.pdb b/examples/unres/CSA/GAB/CSA/global/unrestrained/CLUSTER/1l2y_csa_GB0000003_026.pdb new file mode 100644 index 0000000..3a5ef82 --- /dev/null +++ b/examples/unres/CSA/GAB/CSA/global/unrestrained/CLUSTER/1l2y_csa_GB0000003_026.pdb @@ -0,0 +1,59 @@ +REMARK 1l2y ENERGY -8.50600E+01 +ATOM 1 CA ASN 1 3.800 0.000 0.000 +ATOM 2 CB ASN 1 5.455 0.306 0.062 +ATOM 3 CA LEU 2 4.063 -3.791 0.000 +ATOM 4 CB LEU 2 3.752 -5.697 -0.170 +ATOM 5 CA TYR 3 6.276 -3.737 -3.089 +ATOM 6 CB TYR 3 5.801 -5.759 -4.451 +ATOM 7 CA ILE 4 9.390 -3.477 -0.927 +ATOM 8 CB ILE 4 10.160 -1.971 -0.384 +ATOM 9 CA GLN 5 8.122 -6.334 1.234 +ATOM 10 CB GLN 5 7.164 -4.835 2.596 +ATOM 11 CA TRP 6 7.111 -8.236 -1.896 +ATOM 12 CB TRP 6 7.422 -10.122 -3.666 +ATOM 13 CA LEU 7 10.488 -7.474 -3.465 +ATOM 14 CB LEU 7 10.229 -6.083 -4.791 +ATOM 15 CA LYS 8 12.214 -9.140 -0.518 +ATOM 16 CB LYS 8 12.890 -6.849 0.350 +ATOM 17 CA ASP 9 9.590 -11.885 -0.397 +ATOM 18 CB ASP 9 8.234 -11.183 0.371 +ATOM 19 CA GLY 10 10.685 -13.270 -3.762 +ATOM 20 CA GLY 11 10.739 -11.173 -6.931 +ATOM 21 CA PRO 12 7.382 -9.781 -8.041 +ATOM 22 CB PRO 12 7.185 -10.641 -9.056 +ATOM 23 CA SER 13 4.809 -11.807 -6.114 +ATOM 24 CB SER 13 3.935 -12.204 -6.747 +ATOM 25 CA SER 14 6.674 -15.101 -6.454 +ATOM 26 CB SER 14 6.036 -15.961 -6.873 +ATOM 27 CA GLY 15 8.987 -14.900 -9.462 +ATOM 28 CA ARG 16 6.208 -14.312 -11.986 +ATOM 29 CB ARG 16 3.473 -14.286 -10.705 +ATOM 30 CA PRO 17 4.328 -11.049 -12.496 +ATOM 31 CB PRO 17 4.201 -11.551 -13.737 +ATOM 32 CA PRO 18 1.472 -10.313 -10.100 +ATOM 33 CB PRO 18 2.422 -9.565 -9.510 +ATOM 34 CA PRO 19 -2.060 -10.485 -11.490 +ATOM 35 CB PRO 19 -2.311 -11.567 -10.731 +ATOM 36 CA SER 20 -3.226 -7.452 -9.520 +ATOM 37 CB SER 20 -2.710 -7.321 -8.501 +TER +CONECT 1 3 2 +CONECT 3 5 4 +CONECT 5 7 6 +CONECT 7 9 8 +CONECT 9 11 10 +CONECT 11 13 12 +CONECT 13 15 14 +CONECT 15 17 16 +CONECT 17 19 18 +CONECT 19 20 +CONECT 20 21 +CONECT 21 23 22 +CONECT 23 25 24 +CONECT 25 27 26 +CONECT 27 28 +CONECT 28 30 29 +CONECT 30 32 31 +CONECT 32 34 33 +CONECT 34 35 +CONECT 36 37 diff --git a/examples/unres/CSA/GAB/CSA/global/unrestrained/CLUSTER/1l2y_csa_GB0000003_027.pdb b/examples/unres/CSA/GAB/CSA/global/unrestrained/CLUSTER/1l2y_csa_GB0000003_027.pdb new file mode 100644 index 0000000..bc548c1 --- /dev/null +++ b/examples/unres/CSA/GAB/CSA/global/unrestrained/CLUSTER/1l2y_csa_GB0000003_027.pdb @@ -0,0 +1,59 @@ +REMARK 1l2y ENERGY -8.49300E+01 +ATOM 1 CA ASN 1 3.800 0.000 0.000 +ATOM 2 CB ASN 1 5.409 0.439 0.231 +ATOM 3 CA LEU 2 4.054 -3.792 0.000 +ATOM 4 CB LEU 2 3.179 -5.454 0.479 +ATOM 5 CA TYR 3 4.365 -3.862 -3.787 +ATOM 6 CB TYR 3 3.928 -6.218 -4.441 +ATOM 7 CA ILE 4 7.860 -2.391 -3.548 +ATOM 8 CB ILE 4 8.285 -0.692 -3.257 +ATOM 9 CA GLN 5 8.953 -5.447 -1.572 +ATOM 10 CB GLN 5 7.668 -6.595 -0.140 +ATOM 11 CA TRP 6 7.355 -7.728 -4.156 +ATOM 12 CB TRP 6 6.866 -10.216 -4.754 +ATOM 13 CA LEU 7 8.808 -5.623 -6.966 +ATOM 14 CB LEU 7 7.188 -4.701 -7.502 +ATOM 15 CA LYS 8 12.260 -5.855 -5.396 +ATOM 16 CB LYS 8 12.383 -3.458 -4.562 +ATOM 17 CA ASP 9 11.828 -9.555 -4.648 +ATOM 18 CB ASP 9 10.794 -9.738 -3.299 +ATOM 19 CA GLY 10 11.879 -10.377 -8.358 +ATOM 20 CA GLY 11 8.777 -8.971 -10.042 +ATOM 21 CA PRO 12 5.572 -10.522 -8.714 +ATOM 22 CB PRO 12 5.098 -9.275 -8.535 +ATOM 23 CA SER 13 6.427 -13.919 -10.185 +ATOM 24 CB SER 13 7.035 -13.896 -11.161 +ATOM 25 CA SER 14 9.372 -14.440 -7.841 +ATOM 26 CB SER 14 9.497 -13.619 -7.045 +ATOM 27 CA GLY 15 7.584 -17.208 -5.948 +ATOM 28 CA ARG 16 4.190 -16.005 -4.734 +ATOM 29 CB ARG 16 2.974 -16.231 -1.979 +ATOM 30 CA PRO 17 3.101 -12.467 -3.878 +ATOM 31 CB PRO 17 1.958 -12.965 -4.383 +ATOM 32 CA PRO 18 3.850 -11.243 -0.359 +ATOM 33 CB PRO 18 4.312 -10.140 -0.974 +ATOM 34 CA PRO 19 0.987 -10.715 2.083 +ATOM 35 CB PRO 19 1.005 -12.059 2.038 +ATOM 36 CA SER 20 1.171 -7.688 4.373 +ATOM 37 CB SER 20 0.236 -7.023 4.292 +TER +CONECT 1 3 2 +CONECT 3 5 4 +CONECT 5 7 6 +CONECT 7 9 8 +CONECT 9 11 10 +CONECT 11 13 12 +CONECT 13 15 14 +CONECT 15 17 16 +CONECT 17 19 18 +CONECT 19 20 +CONECT 20 21 +CONECT 21 23 22 +CONECT 23 25 24 +CONECT 25 27 26 +CONECT 27 28 +CONECT 28 30 29 +CONECT 30 32 31 +CONECT 32 34 33 +CONECT 34 35 +CONECT 36 37 diff --git a/examples/unres/CSA/GAB/CSA/global/unrestrained/CLUSTER/1l2y_csa_GB0000003_028.pdb b/examples/unres/CSA/GAB/CSA/global/unrestrained/CLUSTER/1l2y_csa_GB0000003_028.pdb new file mode 100644 index 0000000..ad74342 --- /dev/null +++ b/examples/unres/CSA/GAB/CSA/global/unrestrained/CLUSTER/1l2y_csa_GB0000003_028.pdb @@ -0,0 +1,59 @@ +REMARK 1l2y ENERGY -8.49200E+01 +ATOM 1 CA ASN 1 3.800 0.000 0.000 +ATOM 2 CB ASN 1 4.311 0.154 1.597 +ATOM 3 CA LEU 2 4.046 -3.792 0.000 +ATOM 4 CB LEU 2 4.602 -5.541 0.626 +ATOM 5 CA TYR 3 0.690 -4.207 -1.735 +ATOM 6 CB TYR 3 -1.057 -2.508 -2.216 +ATOM 7 CA ILE 4 1.260 -7.922 -2.292 +ATOM 8 CB ILE 4 2.745 -8.607 -2.986 +ATOM 9 CA GLN 5 0.317 -8.728 1.300 +ATOM 10 CB GLN 5 1.474 -7.863 3.012 +ATOM 11 CA TRP 6 -2.899 -6.737 0.937 +ATOM 12 CB TRP 6 -0.967 -5.070 1.459 +ATOM 13 CA LEU 7 -3.520 -8.277 -2.482 +ATOM 14 CB LEU 7 -3.442 -6.625 -3.495 +ATOM 15 CA LYS 8 -2.985 -11.745 -1.023 +ATOM 16 CB LYS 8 -0.617 -12.243 -1.798 +ATOM 17 CA ASP 9 -5.276 -10.925 1.896 +ATOM 18 CB ASP 9 -4.335 -9.902 2.889 +ATOM 19 CA GLY 10 -8.349 -10.948 -0.339 +ATOM 20 CA GLY 11 -10.470 -8.820 1.988 +ATOM 21 CA PRO 12 -8.613 -5.637 1.060 +ATOM 22 CB PRO 12 -7.463 -6.131 1.553 +ATOM 23 CA SER 13 -8.658 -6.660 -2.599 +ATOM 24 CB SER 13 -7.831 -7.413 -2.334 +ATOM 25 CA SER 14 -12.345 -5.776 -2.865 +ATOM 26 CB SER 14 -12.632 -4.764 -2.401 +ATOM 27 CA GLY 15 -12.052 -4.694 -6.496 +ATOM 28 CA ARG 16 -9.584 -1.884 -5.821 +ATOM 29 CB ARG 16 -9.079 0.506 -4.046 +ATOM 30 CA PRO 17 -6.140 -2.352 -4.285 +ATOM 31 CB PRO 17 -5.784 -1.503 -5.266 +ATOM 32 CA PRO 18 -5.683 -1.465 -0.618 +ATOM 33 CB PRO 18 -5.274 -2.745 -0.559 +ATOM 34 CA PRO 19 -3.618 1.634 0.141 +ATOM 35 CB PRO 19 -4.532 2.334 -0.555 +ATOM 36 CA SER 20 -1.791 -0.027 3.030 +ATOM 37 CB SER 20 -2.131 -1.118 3.160 +TER +CONECT 1 3 2 +CONECT 3 5 4 +CONECT 5 7 6 +CONECT 7 9 8 +CONECT 9 11 10 +CONECT 11 13 12 +CONECT 13 15 14 +CONECT 15 17 16 +CONECT 17 19 18 +CONECT 19 20 +CONECT 20 21 +CONECT 21 23 22 +CONECT 23 25 24 +CONECT 25 27 26 +CONECT 27 28 +CONECT 28 30 29 +CONECT 30 32 31 +CONECT 32 34 33 +CONECT 34 35 +CONECT 36 37 diff --git a/examples/unres/CSA/GAB/CSA/global/unrestrained/CLUSTER/1l2y_csa_GB0000003_029.pdb b/examples/unres/CSA/GAB/CSA/global/unrestrained/CLUSTER/1l2y_csa_GB0000003_029.pdb new file mode 100644 index 0000000..0968e48 --- /dev/null +++ b/examples/unres/CSA/GAB/CSA/global/unrestrained/CLUSTER/1l2y_csa_GB0000003_029.pdb @@ -0,0 +1,59 @@ +REMARK 1l2y ENERGY -8.49000E+01 +ATOM 1 CA ASN 1 3.800 0.000 0.000 +ATOM 2 CB ASN 1 4.052 0.016 1.665 +ATOM 3 CA LEU 2 4.047 -3.792 0.000 +ATOM 4 CB LEU 2 4.563 -5.602 0.466 +ATOM 5 CA TYR 3 0.298 -4.192 0.468 +ATOM 6 CB TYR 3 0.480 -2.830 2.538 +ATOM 7 CA ILE 4 0.483 -7.927 -0.207 +ATOM 8 CB ILE 4 0.617 -8.666 -1.817 +ATOM 9 CA GLN 5 2.355 -8.510 3.048 +ATOM 10 CB GLN 5 3.562 -7.601 4.701 +ATOM 11 CA TRP 6 0.334 -5.772 4.739 +ATOM 12 CB TRP 6 1.128 -4.455 6.842 +ATOM 13 CA LEU 7 -2.912 -7.365 3.570 +ATOM 14 CB LEU 7 -3.421 -6.741 1.806 +ATOM 15 CA LYS 8 -1.556 -10.822 4.374 +ATOM 16 CB LYS 8 0.004 -11.438 2.465 +ATOM 17 CA ASP 9 -1.469 -9.987 8.080 +ATOM 18 CB ASP 9 -0.441 -8.641 8.313 +ATOM 19 CA GLY 10 -4.347 -7.524 7.774 +ATOM 20 CA GLY 11 -2.216 -4.594 8.919 +ATOM 21 CA PRO 12 -4.015 -2.111 6.674 +ATOM 22 CB PRO 12 -3.375 -2.791 5.706 +ATOM 23 CA SER 13 -7.338 -3.483 7.904 +ATOM 24 CB SER 13 -7.389 -4.632 7.904 +ATOM 25 CA SER 14 -6.174 -3.094 11.500 +ATOM 26 CB SER 14 -5.155 -3.591 11.698 +ATOM 27 CA GLY 15 -4.710 0.370 10.957 +ATOM 28 CA ARG 16 -1.150 -0.684 11.769 +ATOM 29 CB ARG 16 -0.143 -3.529 11.679 +ATOM 30 CA PRO 17 2.165 0.766 10.607 +ATOM 31 CB PRO 17 2.424 0.548 11.909 +ATOM 32 CA PRO 18 3.178 -0.021 7.030 +ATOM 33 CB PRO 18 3.648 1.239 6.988 +ATOM 34 CA PRO 19 5.896 -2.572 6.291 +ATOM 35 CB PRO 19 5.021 -3.050 5.390 +ATOM 36 CA SER 20 8.110 -0.015 4.559 +ATOM 37 CB SER 20 7.528 0.920 4.225 +TER +CONECT 1 3 2 +CONECT 3 5 4 +CONECT 5 7 6 +CONECT 7 9 8 +CONECT 9 11 10 +CONECT 11 13 12 +CONECT 13 15 14 +CONECT 15 17 16 +CONECT 17 19 18 +CONECT 19 20 +CONECT 20 21 +CONECT 21 23 22 +CONECT 23 25 24 +CONECT 25 27 26 +CONECT 27 28 +CONECT 28 30 29 +CONECT 30 32 31 +CONECT 32 34 33 +CONECT 34 35 +CONECT 36 37 diff --git a/examples/unres/CSA/GAB/CSA/global/unrestrained/CLUSTER/1l2y_csa_GB0000003_030.pdb b/examples/unres/CSA/GAB/CSA/global/unrestrained/CLUSTER/1l2y_csa_GB0000003_030.pdb new file mode 100644 index 0000000..02b3bf0 --- /dev/null +++ b/examples/unres/CSA/GAB/CSA/global/unrestrained/CLUSTER/1l2y_csa_GB0000003_030.pdb @@ -0,0 +1,59 @@ +REMARK 1l2y ENERGY -8.48700E+01 +ATOM 1 CA ASN 1 3.800 0.000 0.000 +ATOM 2 CB ASN 1 5.422 0.419 0.176 +ATOM 3 CA LEU 2 4.057 -3.791 0.000 +ATOM 4 CB LEU 2 3.947 -5.692 -0.365 +ATOM 5 CA TYR 3 5.970 -3.750 -3.283 +ATOM 6 CB TYR 3 5.656 -1.303 -3.577 +ATOM 7 CA ILE 4 9.248 -3.232 -1.432 +ATOM 8 CB ILE 4 9.960 -1.632 -1.136 +ATOM 9 CA GLN 5 8.301 -5.962 1.036 +ATOM 10 CB GLN 5 7.374 -4.417 2.366 +ATOM 11 CA TRP 6 7.200 -8.182 -1.845 +ATOM 12 CB TRP 6 6.721 -10.338 -3.226 +ATOM 13 CA LEU 7 10.276 -7.214 -3.856 +ATOM 14 CB LEU 7 9.108 -6.393 -5.168 +ATOM 15 CA LYS 8 12.493 -7.969 -0.864 +ATOM 16 CB LYS 8 13.017 -5.582 -0.165 +ATOM 17 CA ASP 9 10.642 -11.205 -0.127 +ATOM 18 CB ASP 9 9.091 -10.745 0.422 +ATOM 19 CA GLY 10 12.534 -13.005 -2.888 +ATOM 20 CA GLY 11 9.833 -12.605 -5.530 +ATOM 21 CA PRO 12 7.544 -10.224 -7.409 +ATOM 22 CB PRO 12 7.278 -11.294 -8.179 +ATOM 23 CA SER 13 4.503 -8.421 -6.014 +ATOM 24 CB SER 13 4.652 -7.651 -5.173 +ATOM 25 CA SER 14 4.277 -6.035 -8.962 +ATOM 26 CB SER 14 5.181 -6.085 -9.671 +ATOM 27 CA GLY 15 1.778 -8.108 -10.935 +ATOM 28 CA ARG 16 1.174 -10.838 -8.361 +ATOM 29 CB ARG 16 3.160 -13.078 -7.964 +ATOM 30 CA PRO 17 -0.764 -10.976 -5.095 +ATOM 31 CB PRO 17 -0.856 -12.257 -5.497 +ATOM 32 CA PRO 18 0.926 -9.567 -1.997 +ATOM 33 CB PRO 18 -0.224 -8.877 -1.884 +ATOM 34 CA PRO 19 2.117 -11.902 0.754 +ATOM 35 CB PRO 19 3.378 -11.641 0.364 +ATOM 36 CA SER 20 1.322 -9.401 3.502 +ATOM 37 CB SER 20 1.623 -8.335 3.191 +TER +CONECT 1 3 2 +CONECT 3 5 4 +CONECT 5 7 6 +CONECT 7 9 8 +CONECT 9 11 10 +CONECT 11 13 12 +CONECT 13 15 14 +CONECT 15 17 16 +CONECT 17 19 18 +CONECT 19 20 +CONECT 20 21 +CONECT 21 23 22 +CONECT 23 25 24 +CONECT 25 27 26 +CONECT 27 28 +CONECT 28 30 29 +CONECT 30 32 31 +CONECT 32 34 33 +CONECT 34 35 +CONECT 36 37 diff --git a/examples/unres/CSA/GAB/CSA/global/unrestrained/CLUSTER/1l2y_csa_GB0000003_031.pdb b/examples/unres/CSA/GAB/CSA/global/unrestrained/CLUSTER/1l2y_csa_GB0000003_031.pdb new file mode 100644 index 0000000..b1e878d --- /dev/null +++ b/examples/unres/CSA/GAB/CSA/global/unrestrained/CLUSTER/1l2y_csa_GB0000003_031.pdb @@ -0,0 +1,59 @@ +REMARK 1l2y ENERGY -8.48200E+01 +ATOM 1 CA ASN 1 3.800 0.000 0.000 +ATOM 2 CB ASN 1 5.300 0.654 0.398 +ATOM 3 CA LEU 2 4.043 -3.792 0.000 +ATOM 4 CB LEU 2 3.585 -5.515 0.763 +ATOM 5 CA TYR 3 2.664 -4.072 -3.530 +ATOM 6 CB TYR 3 3.275 -1.666 -3.445 +ATOM 7 CA ILE 4 4.383 -5.161 -6.739 +ATOM 8 CB ILE 4 3.734 -6.539 -7.653 +ATOM 9 CA GLN 5 4.987 -1.558 -7.784 +ATOM 10 CB GLN 5 3.388 -0.081 -7.255 +ATOM 11 CA TRP 6 6.796 -0.882 -4.512 +ATOM 12 CB TRP 6 8.117 0.683 -2.902 +ATOM 13 CA LEU 7 8.442 -4.304 -4.640 +ATOM 14 CB LEU 7 7.550 -5.384 -3.300 +ATOM 15 CA LYS 8 10.012 -3.446 -7.993 +ATOM 16 CB LYS 8 8.487 -5.027 -9.270 +ATOM 17 CA ASP 9 10.821 0.089 -6.858 +ATOM 18 CB ASP 9 9.340 0.937 -6.957 +ATOM 19 CA GLY 10 13.442 -1.172 -4.413 +ATOM 20 CA GLY 11 10.993 -1.669 -1.550 +ATOM 21 CA PRO 12 10.640 -3.530 1.744 +ATOM 22 CB PRO 12 9.371 -3.788 1.381 +ATOM 23 CA SER 13 12.535 -6.483 0.283 +ATOM 24 CB SER 13 12.226 -6.663 -0.810 +ATOM 25 CA SER 14 15.531 -4.244 -0.389 +ATOM 26 CB SER 14 15.294 -3.364 -1.090 +ATOM 27 CA GLY 15 15.018 -2.114 2.716 +ATOM 28 CA ARG 16 14.288 1.116 0.852 +ATOM 29 CB ARG 16 12.941 1.714 -1.784 +ATOM 30 CA PRO 17 12.448 4.251 1.957 +ATOM 31 CB PRO 17 13.357 4.784 1.121 +ATOM 32 CA PRO 18 8.649 4.244 1.839 +ATOM 33 CB PRO 18 8.760 4.779 3.069 +ATOM 34 CA PRO 19 6.861 6.273 -0.829 +ATOM 35 CB PRO 19 6.446 5.092 -1.321 +ATOM 36 CA SER 20 4.212 7.529 1.589 +ATOM 37 CB SER 20 4.022 6.819 2.473 +TER +CONECT 1 3 2 +CONECT 3 5 4 +CONECT 5 7 6 +CONECT 7 9 8 +CONECT 9 11 10 +CONECT 11 13 12 +CONECT 13 15 14 +CONECT 15 17 16 +CONECT 17 19 18 +CONECT 19 20 +CONECT 20 21 +CONECT 21 23 22 +CONECT 23 25 24 +CONECT 25 27 26 +CONECT 27 28 +CONECT 28 30 29 +CONECT 30 32 31 +CONECT 32 34 33 +CONECT 34 35 +CONECT 36 37 diff --git a/examples/unres/CSA/GAB/CSA/global/unrestrained/CLUSTER/1l2y_csa_GB0000003_032.pdb b/examples/unres/CSA/GAB/CSA/global/unrestrained/CLUSTER/1l2y_csa_GB0000003_032.pdb new file mode 100644 index 0000000..f7aa485 --- /dev/null +++ b/examples/unres/CSA/GAB/CSA/global/unrestrained/CLUSTER/1l2y_csa_GB0000003_032.pdb @@ -0,0 +1,59 @@ +REMARK 1l2y ENERGY -8.46900E+01 +ATOM 1 CA ASN 1 3.800 0.000 0.000 +ATOM 2 CB ASN 1 5.454 0.315 0.040 +ATOM 3 CA LEU 2 4.063 -3.791 0.000 +ATOM 4 CB LEU 2 3.914 -5.721 -0.111 +ATOM 5 CA TYR 3 6.316 -3.730 -3.059 +ATOM 6 CB TYR 3 6.863 -1.357 -3.550 +ATOM 7 CA ILE 4 9.394 -3.680 -0.831 +ATOM 8 CB ILE 4 10.166 -2.151 -0.362 +ATOM 9 CA GLN 5 7.930 -6.473 1.288 +ATOM 10 CB GLN 5 7.241 -4.923 2.751 +ATOM 11 CA TRP 6 7.094 -8.404 -1.876 +ATOM 12 CB TRP 6 6.548 -7.905 -4.374 +ATOM 13 CA LEU 7 10.647 -7.853 -3.103 +ATOM 14 CB LEU 7 10.959 -6.239 -4.131 +ATOM 15 CA LYS 8 11.961 -9.894 -0.180 +ATOM 16 CB LYS 8 10.223 -9.249 1.557 +ATOM 17 CA ASP 9 9.193 -12.460 -0.616 +ATOM 18 CB ASP 9 7.748 -11.820 0.034 +ATOM 19 CA GLY 10 10.470 -13.455 -4.054 +ATOM 20 CA GLY 11 7.814 -11.500 -5.942 +ATOM 21 CA PRO 12 9.014 -9.642 -9.032 +ATOM 22 CB PRO 12 9.199 -8.384 -8.594 +ATOM 23 CA SER 13 12.593 -9.544 -7.758 +ATOM 24 CB SER 13 12.686 -9.717 -6.625 +ATOM 25 CA SER 14 13.119 -13.152 -8.828 +ATOM 26 CB SER 14 12.147 -13.275 -8.227 +ATOM 27 CA GLY 15 14.765 -12.181 -12.113 +ATOM 28 CA ARG 16 12.392 -9.344 -12.984 +ATOM 29 CB ARG 16 10.767 -11.588 -11.780 +ATOM 30 CA PRO 17 12.678 -5.624 -12.263 +ATOM 31 CB PRO 17 11.963 -5.611 -13.402 +ATOM 32 CA PRO 18 11.845 -4.281 -8.807 +ATOM 33 CB PRO 18 13.034 -3.664 -8.929 +ATOM 34 CA PRO 19 8.719 -2.192 -8.255 +ATOM 35 CB PRO 19 8.215 -3.127 -7.430 +ATOM 36 CA SER 20 10.438 0.104 -5.763 +ATOM 37 CB SER 20 10.809 -0.480 -4.844 +TER +CONECT 1 3 2 +CONECT 3 5 4 +CONECT 5 7 6 +CONECT 7 9 8 +CONECT 9 11 10 +CONECT 11 13 12 +CONECT 13 15 14 +CONECT 15 17 16 +CONECT 17 19 18 +CONECT 19 20 +CONECT 20 21 +CONECT 21 23 22 +CONECT 23 25 24 +CONECT 25 27 26 +CONECT 27 28 +CONECT 28 30 29 +CONECT 30 32 31 +CONECT 32 34 33 +CONECT 34 35 +CONECT 36 37 diff --git a/examples/unres/CSA/GAB/CSA/global/unrestrained/CLUSTER/1l2y_csa_GB0000003_033.pdb b/examples/unres/CSA/GAB/CSA/global/unrestrained/CLUSTER/1l2y_csa_GB0000003_033.pdb new file mode 100644 index 0000000..8208a4d --- /dev/null +++ b/examples/unres/CSA/GAB/CSA/global/unrestrained/CLUSTER/1l2y_csa_GB0000003_033.pdb @@ -0,0 +1,59 @@ +REMARK 1l2y ENERGY -8.41300E+01 +ATOM 1 CA ASN 1 3.800 0.000 0.000 +ATOM 2 CB ASN 1 5.338 0.574 0.377 +ATOM 3 CA LEU 2 4.047 -3.792 0.000 +ATOM 4 CB LEU 2 3.258 -5.520 0.392 +ATOM 5 CA TYR 3 4.461 -3.953 -3.774 +ATOM 6 CB TYR 3 5.497 -1.719 -3.448 +ATOM 7 CA ILE 4 7.200 -5.535 -5.880 +ATOM 8 CB ILE 4 6.739 -6.826 -7.008 +ATOM 9 CA GLN 5 9.119 -2.263 -6.112 +ATOM 10 CB GLN 5 7.797 -0.556 -6.710 +ATOM 11 CA TRP 6 9.123 -1.895 -2.330 +ATOM 12 CB TRP 6 9.957 0.154 -0.955 +ATOM 13 CA LEU 7 9.644 -5.623 -1.810 +ATOM 14 CB LEU 7 7.984 -6.623 -1.737 +ATOM 15 CA LYS 8 12.554 -5.623 -4.254 +ATOM 16 CB LYS 8 11.569 -6.844 -6.254 +ATOM 17 CA ASP 9 13.974 -2.427 -2.768 +ATOM 18 CB ASP 9 13.032 -1.243 -3.563 +ATOM 19 CA GLY 10 14.918 -4.150 0.485 +ATOM 20 CA GLY 11 13.922 -3.812 4.136 +ATOM 21 CA PRO 12 15.658 -0.449 4.473 +ATOM 22 CB PRO 12 16.788 -1.009 4.006 +ATOM 23 CA SER 13 13.910 0.733 1.313 +ATOM 24 CB SER 13 13.933 -0.055 0.476 +ATOM 25 CA SER 14 10.635 -0.517 2.781 +ATOM 26 CB SER 14 10.659 -1.527 3.330 +ATOM 27 CA GLY 15 11.001 1.804 5.768 +ATOM 28 CA ARG 16 12.468 4.662 3.738 +ATOM 29 CB ARG 16 15.042 3.315 2.914 +ATOM 30 CA PRO 17 9.899 6.270 1.445 +ATOM 31 CB PRO 17 10.915 7.150 1.377 +ATOM 32 CA PRO 18 8.180 4.091 -1.150 +ATOM 33 CB PRO 18 7.068 4.681 -0.675 +ATOM 34 CA PRO 19 9.101 4.420 -4.822 +ATOM 35 CB PRO 19 9.484 3.137 -4.695 +ATOM 36 CA SER 20 5.502 4.023 -5.974 +ATOM 37 CB SER 20 4.985 3.152 -5.428 +TER +CONECT 1 3 2 +CONECT 3 5 4 +CONECT 5 7 6 +CONECT 7 9 8 +CONECT 9 11 10 +CONECT 11 13 12 +CONECT 13 15 14 +CONECT 15 17 16 +CONECT 17 19 18 +CONECT 19 20 +CONECT 20 21 +CONECT 21 23 22 +CONECT 23 25 24 +CONECT 25 27 26 +CONECT 27 28 +CONECT 28 30 29 +CONECT 30 32 31 +CONECT 32 34 33 +CONECT 34 35 +CONECT 36 37 diff --git a/examples/unres/CSA/GAB/CSA/global/unrestrained/CLUSTER/1l2y_csa_GB0000003_034.pdb b/examples/unres/CSA/GAB/CSA/global/unrestrained/CLUSTER/1l2y_csa_GB0000003_034.pdb new file mode 100644 index 0000000..cfc6f3b --- /dev/null +++ b/examples/unres/CSA/GAB/CSA/global/unrestrained/CLUSTER/1l2y_csa_GB0000003_034.pdb @@ -0,0 +1,59 @@ +REMARK 1l2y ENERGY -8.40900E+01 +ATOM 1 CA ASN 1 3.800 0.000 0.000 +ATOM 2 CB ASN 1 5.414 0.427 0.217 +ATOM 3 CA LEU 2 4.056 -3.791 0.000 +ATOM 4 CB LEU 2 4.173 -5.720 -0.165 +ATOM 5 CA TYR 3 5.802 -3.764 -3.375 +ATOM 6 CB TYR 3 5.481 -1.308 -3.565 +ATOM 7 CA ILE 4 9.167 -3.416 -1.645 +ATOM 8 CB ILE 4 9.843 -1.854 -1.138 +ATOM 9 CA GLN 5 8.312 -6.452 0.475 +ATOM 10 CB GLN 5 7.856 -5.029 2.144 +ATOM 11 CA TRP 6 7.083 -8.206 -2.664 +ATOM 12 CB TRP 6 6.907 -10.334 -4.157 +ATOM 13 CA LEU 7 10.461 -7.560 -4.281 +ATOM 14 CB LEU 7 11.558 -5.972 -4.466 +ATOM 15 CA LYS 8 12.100 -9.648 -1.561 +ATOM 16 CB LYS 8 12.997 -7.685 -0.220 +ATOM 17 CA ASP 9 9.479 -12.362 -2.013 +ATOM 18 CB ASP 9 8.263 -12.004 -0.867 +ATOM 19 CA GLY 10 10.410 -12.827 -5.668 +ATOM 20 CA GLY 11 9.584 -14.960 -8.702 +ATOM 21 CA PRO 12 9.774 -18.185 -6.701 +ATOM 22 CB PRO 12 10.937 -17.769 -6.167 +ATOM 23 CA SER 13 7.418 -16.774 -4.075 +ATOM 24 CB SER 13 7.646 -15.674 -3.826 +ATOM 25 CA SER 14 4.793 -15.878 -6.673 +ATOM 26 CB SER 14 3.892 -15.349 -6.194 +ATOM 27 CA GLY 15 5.288 -13.141 -9.262 +ATOM 28 CA ARG 16 5.297 -9.537 -8.057 +ATOM 29 CB ARG 16 6.610 -7.292 -6.521 +ATOM 30 CA PRO 17 2.880 -9.264 -5.137 +ATOM 31 CB PRO 17 3.332 -8.088 -4.664 +ATOM 32 CA PRO 18 -0.420 -7.541 -5.899 +ATOM 33 CB PRO 18 -0.829 -8.822 -5.911 +ATOM 34 CA PRO 19 -0.880 -4.265 -4.029 +ATOM 35 CB PRO 19 0.438 -4.097 -3.816 +ATOM 36 CA SER 20 -4.589 -4.064 -4.828 +ATOM 37 CB SER 20 -4.908 -4.545 -5.823 +TER +CONECT 1 3 2 +CONECT 3 5 4 +CONECT 5 7 6 +CONECT 7 9 8 +CONECT 9 11 10 +CONECT 11 13 12 +CONECT 13 15 14 +CONECT 15 17 16 +CONECT 17 19 18 +CONECT 19 20 +CONECT 20 21 +CONECT 21 23 22 +CONECT 23 25 24 +CONECT 25 27 26 +CONECT 27 28 +CONECT 28 30 29 +CONECT 30 32 31 +CONECT 32 34 33 +CONECT 34 35 +CONECT 36 37 diff --git a/examples/unres/CSA/GAB/CSA/global/unrestrained/CLUSTER/1l2y_csa_GB0000003_035.pdb b/examples/unres/CSA/GAB/CSA/global/unrestrained/CLUSTER/1l2y_csa_GB0000003_035.pdb new file mode 100644 index 0000000..36c145e --- /dev/null +++ b/examples/unres/CSA/GAB/CSA/global/unrestrained/CLUSTER/1l2y_csa_GB0000003_035.pdb @@ -0,0 +1,59 @@ +REMARK 1l2y ENERGY -8.40800E+01 +ATOM 1 CA ASN 1 3.800 0.000 0.000 +ATOM 2 CB ASN 1 4.269 0.166 1.609 +ATOM 3 CA LEU 2 4.047 -3.792 0.000 +ATOM 4 CB LEU 2 5.315 -5.249 0.175 +ATOM 5 CA TYR 3 0.529 -5.220 0.153 +ATOM 6 CB TYR 3 -1.652 -4.037 0.283 +ATOM 7 CA ILE 4 1.715 -8.828 0.034 +ATOM 8 CB ILE 4 3.036 -9.424 -0.992 +ATOM 9 CA GLN 5 2.244 -8.893 3.796 +ATOM 10 CB GLN 5 4.197 -7.807 3.945 +ATOM 11 CA TRP 6 -1.153 -7.276 4.331 +ATOM 12 CB TRP 6 0.727 -5.547 3.820 +ATOM 13 CA LEU 7 -2.734 -9.710 1.878 +ATOM 14 CB LEU 7 -3.539 -8.380 0.720 +ATOM 15 CA LYS 8 -1.015 -12.618 3.618 +ATOM 16 CB LYS 8 0.893 -13.056 1.997 +ATOM 17 CA ASP 9 -1.794 -11.189 7.052 +ATOM 18 CB ASP 9 -1.319 -9.566 7.303 +ATOM 19 CA GLY 10 -5.468 -10.700 6.211 +ATOM 20 CA GLY 11 -7.170 -8.002 4.146 +ATOM 21 CA PRO 12 -6.249 -4.818 2.288 +ATOM 22 CB PRO 12 -6.653 -3.759 3.012 +ATOM 23 CA SER 13 -3.229 -3.074 3.797 +ATOM 24 CB SER 13 -2.173 -2.743 4.110 +ATOM 25 CA SER 14 -4.550 0.362 2.854 +ATOM 26 CB SER 14 -5.468 0.400 2.162 +ATOM 27 CA GLY 15 -6.421 0.770 6.136 +ATOM 28 CA ARG 16 -4.268 -1.633 8.144 +ATOM 29 CB ARG 16 -4.252 -4.318 6.763 +ATOM 30 CA PRO 17 -0.610 -0.843 8.805 +ATOM 31 CB PRO 17 -0.974 -1.393 9.977 +ATOM 32 CA PRO 18 1.919 -1.914 6.179 +ATOM 33 CB PRO 18 2.371 -0.651 6.279 +ATOM 34 CA PRO 19 4.338 -4.728 7.000 +ATOM 35 CB PRO 19 3.241 -5.478 7.207 +ATOM 36 CA SER 20 7.196 -3.167 5.042 +ATOM 37 CB SER 20 6.854 -2.830 3.997 +TER +CONECT 1 3 2 +CONECT 3 5 4 +CONECT 5 7 6 +CONECT 7 9 8 +CONECT 9 11 10 +CONECT 11 13 12 +CONECT 13 15 14 +CONECT 15 17 16 +CONECT 17 19 18 +CONECT 19 20 +CONECT 20 21 +CONECT 21 23 22 +CONECT 23 25 24 +CONECT 25 27 26 +CONECT 27 28 +CONECT 28 30 29 +CONECT 30 32 31 +CONECT 32 34 33 +CONECT 34 35 +CONECT 36 37 diff --git a/examples/unres/CSA/GAB/CSA/global/unrestrained/CLUSTER/1l2y_csa_GB0000003_036.pdb b/examples/unres/CSA/GAB/CSA/global/unrestrained/CLUSTER/1l2y_csa_GB0000003_036.pdb new file mode 100644 index 0000000..bcab5e4 --- /dev/null +++ b/examples/unres/CSA/GAB/CSA/global/unrestrained/CLUSTER/1l2y_csa_GB0000003_036.pdb @@ -0,0 +1,59 @@ +REMARK 1l2y ENERGY -8.40700E+01 +ATOM 1 CA ASN 1 3.800 0.000 0.000 +ATOM 2 CB ASN 1 5.443 0.349 0.118 +ATOM 3 CA LEU 2 4.060 -3.791 0.000 +ATOM 4 CB LEU 2 3.831 -5.708 -0.175 +ATOM 5 CA TYR 3 6.165 -3.749 -3.164 +ATOM 6 CB TYR 3 6.086 -1.300 -3.575 +ATOM 7 CA ILE 4 9.337 -3.474 -1.090 +ATOM 8 CB ILE 4 10.127 -1.936 -0.683 +ATOM 9 CA GLN 5 8.171 -6.384 1.059 +ATOM 10 CB GLN 5 7.289 -4.971 2.557 +ATOM 11 CA TRP 6 7.035 -8.238 -2.057 +ATOM 12 CB TRP 6 7.091 -10.694 -2.925 +ATOM 13 CA LEU 7 10.287 -7.387 -3.830 +ATOM 14 CB LEU 7 9.285 -6.145 -4.932 +ATOM 15 CA LYS 8 12.275 -8.742 -0.889 +ATOM 16 CB LYS 8 12.918 -6.442 -0.019 +ATOM 17 CA ASP 9 9.991 -11.759 -0.540 +ATOM 18 CB ASP 9 8.809 -11.215 0.569 +ATOM 19 CA GLY 10 11.036 -13.117 -3.931 +ATOM 20 CA GLY 11 10.197 -10.856 -6.868 +ATOM 21 CA PRO 12 10.726 -13.580 -9.464 +ATOM 22 CB PRO 12 11.992 -13.743 -9.040 +ATOM 23 CA SER 13 8.747 -16.024 -7.331 +ATOM 24 CB SER 13 9.121 -16.084 -6.246 +ATOM 25 CA SER 14 6.058 -13.409 -6.721 +ATOM 26 CB SER 14 6.716 -13.005 -7.573 +ATOM 27 CA GLY 15 3.832 -14.684 -3.918 +ATOM 28 CA ARG 16 2.486 -11.264 -2.952 +ATOM 29 CB ARG 16 3.774 -8.691 -3.868 +ATOM 30 CA PRO 17 -0.283 -8.957 -4.157 +ATOM 31 CB PRO 17 -0.163 -8.451 -2.916 +ATOM 32 CA PRO 18 0.528 -6.636 -7.054 +ATOM 33 CB PRO 18 -0.546 -7.245 -7.588 +ATOM 34 CA PRO 19 0.928 -2.966 -6.154 +ATOM 35 CB PRO 19 1.801 -3.352 -5.206 +ATOM 36 CA SER 20 -0.653 -1.746 -9.387 +ATOM 37 CB SER 20 -0.564 -2.474 -10.273 +TER +CONECT 1 3 2 +CONECT 3 5 4 +CONECT 5 7 6 +CONECT 7 9 8 +CONECT 9 11 10 +CONECT 11 13 12 +CONECT 13 15 14 +CONECT 15 17 16 +CONECT 17 19 18 +CONECT 19 20 +CONECT 20 21 +CONECT 21 23 22 +CONECT 23 25 24 +CONECT 25 27 26 +CONECT 27 28 +CONECT 28 30 29 +CONECT 30 32 31 +CONECT 32 34 33 +CONECT 34 35 +CONECT 36 37 diff --git a/examples/unres/CSA/GAB/CSA/global/unrestrained/CLUSTER/1l2y_csa_GB0000003_037.pdb b/examples/unres/CSA/GAB/CSA/global/unrestrained/CLUSTER/1l2y_csa_GB0000003_037.pdb new file mode 100644 index 0000000..1dcf0d6 --- /dev/null +++ b/examples/unres/CSA/GAB/CSA/global/unrestrained/CLUSTER/1l2y_csa_GB0000003_037.pdb @@ -0,0 +1,59 @@ +REMARK 1l2y ENERGY -8.39400E+01 +ATOM 1 CA ASN 1 3.800 0.000 0.000 +ATOM 2 CB ASN 1 4.362 0.222 1.572 +ATOM 3 CA LEU 2 4.046 -3.792 0.000 +ATOM 4 CB LEU 2 3.872 -5.550 0.799 +ATOM 5 CA TYR 3 1.434 -4.170 -2.734 +ATOM 6 CB TYR 3 2.017 -3.229 -4.957 +ATOM 7 CA ILE 4 1.613 -7.797 -3.854 +ATOM 8 CB ILE 4 2.042 -8.932 -2.557 +ATOM 9 CA GLN 5 -1.521 -7.422 -5.971 +ATOM 10 CB GLN 5 -2.851 -6.792 -4.283 +ATOM 11 CA TRP 6 0.218 -4.786 -8.085 +ATOM 12 CB TRP 6 0.791 -3.540 -10.299 +ATOM 13 CA LEU 7 3.419 -6.829 -8.208 +ATOM 14 CB LEU 7 4.658 -6.316 -6.807 +ATOM 15 CA LYS 8 1.499 -9.845 -9.494 +ATOM 16 CB LYS 8 1.764 -11.133 -7.320 +ATOM 17 CA ASP 9 -0.787 -7.676 -11.618 +ATOM 18 CB ASP 9 -1.841 -7.268 -10.336 +ATOM 19 CA GLY 10 2.121 -6.461 -13.740 +ATOM 20 CA GLY 11 4.627 -4.024 -12.249 +ATOM 21 CA PRO 12 4.230 -0.414 -11.133 +ATOM 22 CB PRO 12 5.296 0.066 -11.799 +ATOM 23 CA SER 13 2.095 1.283 -13.779 +ATOM 24 CB SER 13 1.253 1.536 -13.038 +ATOM 25 CA SER 14 3.375 -1.079 -16.467 +ATOM 26 CB SER 14 4.086 -1.846 -15.988 +ATOM 27 CA GLY 15 0.310 -3.302 -16.140 +ATOM 28 CA ARG 16 -2.553 -2.228 -13.885 +ATOM 29 CB ARG 16 -2.892 -3.234 -11.057 +ATOM 30 CA PRO 17 -2.597 0.567 -11.310 +ATOM 31 CB PRO 17 -3.897 0.578 -11.655 +ATOM 32 CA PRO 18 -0.866 -0.130 -8.000 +ATOM 33 CB PRO 18 0.239 0.351 -8.598 +ATOM 34 CA PRO 19 -3.033 -0.736 -4.938 +ATOM 35 CB PRO 19 -2.449 -1.943 -5.045 +ATOM 36 CA SER 20 -2.854 1.757 -2.075 +ATOM 37 CB SER 20 -3.896 2.152 -1.791 +TER +CONECT 1 3 2 +CONECT 3 5 4 +CONECT 5 7 6 +CONECT 7 9 8 +CONECT 9 11 10 +CONECT 11 13 12 +CONECT 13 15 14 +CONECT 15 17 16 +CONECT 17 19 18 +CONECT 19 20 +CONECT 20 21 +CONECT 21 23 22 +CONECT 23 25 24 +CONECT 25 27 26 +CONECT 27 28 +CONECT 28 30 29 +CONECT 30 32 31 +CONECT 32 34 33 +CONECT 34 35 +CONECT 36 37 diff --git a/examples/unres/CSA/GAB/CSA/global/unrestrained/CLUSTER/1l2y_csa_GB0000003_038.pdb b/examples/unres/CSA/GAB/CSA/global/unrestrained/CLUSTER/1l2y_csa_GB0000003_038.pdb new file mode 100644 index 0000000..caec1d1 --- /dev/null +++ b/examples/unres/CSA/GAB/CSA/global/unrestrained/CLUSTER/1l2y_csa_GB0000003_038.pdb @@ -0,0 +1,59 @@ +REMARK 1l2y ENERGY -8.38000E+01 +ATOM 1 CA ASN 1 3.800 0.000 0.000 +ATOM 2 CB ASN 1 5.420 0.388 0.247 +ATOM 3 CA LEU 2 4.056 -3.791 0.000 +ATOM 4 CB LEU 2 3.010 -5.399 0.283 +ATOM 5 CA TYR 3 4.204 -3.878 -3.796 +ATOM 6 CB TYR 3 2.972 -4.698 -5.791 +ATOM 7 CA ILE 4 7.601 -2.174 -3.757 +ATOM 8 CB ILE 4 7.934 -0.451 -3.480 +ATOM 9 CA GLN 5 8.858 -4.842 -1.362 +ATOM 10 CB GLN 5 7.991 -3.545 0.245 +ATOM 11 CA TRP 6 7.545 -7.517 -3.721 +ATOM 12 CB TRP 6 4.952 -7.644 -3.497 +ATOM 13 CA LEU 7 9.149 -5.691 -6.642 +ATOM 14 CB LEU 7 7.552 -5.122 -7.583 +ATOM 15 CA LYS 8 12.436 -5.537 -4.742 +ATOM 16 CB LYS 8 12.201 -3.261 -3.637 +ATOM 17 CA ASP 9 12.394 -9.316 -4.349 +ATOM 18 CB ASP 9 11.417 -9.468 -2.956 +ATOM 19 CA GLY 10 12.687 -9.813 -8.105 +ATOM 20 CA GLY 11 11.017 -13.226 -8.102 +ATOM 21 CA PRO 12 7.661 -11.699 -7.185 +ATOM 22 CB PRO 12 8.316 -10.711 -6.550 +ATOM 23 CA SER 13 8.118 -9.155 -9.970 +ATOM 24 CB SER 13 9.124 -8.597 -9.975 +ATOM 25 CA SER 14 8.946 -11.987 -12.365 +ATOM 26 CB SER 14 9.217 -12.971 -11.835 +ATOM 27 CA GLY 15 5.264 -12.697 -12.980 +ATOM 28 CA ARG 16 3.260 -10.024 -11.169 +ATOM 29 CB ARG 16 0.615 -8.881 -10.265 +ATOM 30 CA PRO 17 2.754 -10.024 -7.403 +ATOM 31 CB PRO 17 3.926 -9.367 -7.465 +ATOM 32 CA PRO 18 -0.543 -8.779 -5.982 +ATOM 33 CB PRO 18 -0.489 -9.900 -5.241 +ATOM 34 CA PRO 19 -0.519 -5.449 -4.152 +ATOM 35 CB PRO 19 -1.697 -5.204 -4.754 +ATOM 36 CA SER 20 -1.282 -7.077 -0.804 +ATOM 37 CB SER 20 -1.688 -8.137 -0.986 +TER +CONECT 1 3 2 +CONECT 3 5 4 +CONECT 5 7 6 +CONECT 7 9 8 +CONECT 9 11 10 +CONECT 11 13 12 +CONECT 13 15 14 +CONECT 15 17 16 +CONECT 17 19 18 +CONECT 19 20 +CONECT 20 21 +CONECT 21 23 22 +CONECT 23 25 24 +CONECT 25 27 26 +CONECT 27 28 +CONECT 28 30 29 +CONECT 30 32 31 +CONECT 32 34 33 +CONECT 34 35 +CONECT 36 37 diff --git a/examples/unres/CSA/GAB/CSA/global/unrestrained/CLUSTER/1l2y_csa_GB0000003_039.pdb b/examples/unres/CSA/GAB/CSA/global/unrestrained/CLUSTER/1l2y_csa_GB0000003_039.pdb new file mode 100644 index 0000000..3c7cfd4 --- /dev/null +++ b/examples/unres/CSA/GAB/CSA/global/unrestrained/CLUSTER/1l2y_csa_GB0000003_039.pdb @@ -0,0 +1,59 @@ +REMARK 1l2y ENERGY -8.37300E+01 +ATOM 1 CA ASN 1 3.800 0.000 0.000 +ATOM 2 CB ASN 1 5.415 0.441 0.182 +ATOM 3 CA LEU 2 4.055 -3.791 0.000 +ATOM 4 CB LEU 2 3.251 -5.554 0.074 +ATOM 5 CA TYR 3 5.280 -3.809 -3.597 +ATOM 6 CB TYR 3 4.068 -4.347 -5.698 +ATOM 7 CA ILE 4 8.783 -2.722 -2.602 +ATOM 8 CB ILE 4 9.262 -1.016 -2.483 +ATOM 9 CA GLN 5 8.774 -4.972 0.461 +ATOM 10 CB GLN 5 7.649 -3.304 1.447 +ATOM 11 CA TRP 6 8.142 -8.036 -1.696 +ATOM 12 CB TRP 6 5.848 -7.767 -2.900 +ATOM 13 CA LEU 7 10.243 -6.631 -4.534 +ATOM 14 CB LEU 7 8.851 -6.446 -5.872 +ATOM 15 CA LYS 8 13.283 -6.517 -2.258 +ATOM 16 CB LYS 8 13.186 -4.083 -1.533 +ATOM 17 CA ASP 9 12.698 -10.104 -1.150 +ATOM 18 CB ASP 9 11.146 -10.664 -1.597 +ATOM 19 CA GLY 10 14.057 -11.445 -4.436 +ATOM 20 CA GLY 11 10.913 -10.757 -6.456 +ATOM 21 CA PRO 12 9.886 -10.725 -10.115 +ATOM 22 CB PRO 12 8.784 -9.999 -9.858 +ATOM 23 CA SER 13 11.161 -8.682 -13.055 +ATOM 24 CB SER 13 12.278 -8.795 -13.304 +ATOM 25 CA SER 14 9.820 -11.117 -15.646 +ATOM 26 CB SER 14 9.324 -12.062 -15.219 +ATOM 27 CA GLY 15 6.644 -9.142 -16.319 +ATOM 28 CA ARG 16 5.085 -6.421 -14.172 +ATOM 29 CB ARG 16 2.354 -6.427 -12.885 +ATOM 30 CA PRO 17 5.301 -6.231 -10.383 +ATOM 31 CB PRO 17 5.309 -4.917 -10.670 +ATOM 32 CA PRO 18 2.765 -8.280 -8.432 +ATOM 33 CB PRO 18 3.853 -8.653 -7.734 +ATOM 34 CA PRO 19 -0.033 -6.402 -6.676 +ATOM 35 CB PRO 19 -0.882 -6.790 -7.644 +ATOM 36 CA SER 20 -0.019 -8.719 -3.665 +ATOM 37 CB SER 20 0.526 -9.719 -3.826 +TER +CONECT 1 3 2 +CONECT 3 5 4 +CONECT 5 7 6 +CONECT 7 9 8 +CONECT 9 11 10 +CONECT 11 13 12 +CONECT 13 15 14 +CONECT 15 17 16 +CONECT 17 19 18 +CONECT 19 20 +CONECT 20 21 +CONECT 21 23 22 +CONECT 23 25 24 +CONECT 25 27 26 +CONECT 27 28 +CONECT 28 30 29 +CONECT 30 32 31 +CONECT 32 34 33 +CONECT 34 35 +CONECT 36 37 diff --git a/examples/unres/CSA/GAB/CSA/global/unrestrained/CLUSTER/1l2y_csa_GB0000003_040.pdb b/examples/unres/CSA/GAB/CSA/global/unrestrained/CLUSTER/1l2y_csa_GB0000003_040.pdb new file mode 100644 index 0000000..997a595 --- /dev/null +++ b/examples/unres/CSA/GAB/CSA/global/unrestrained/CLUSTER/1l2y_csa_GB0000003_040.pdb @@ -0,0 +1,59 @@ +REMARK 1l2y ENERGY -8.37200E+01 +ATOM 1 CA ASN 1 3.800 0.000 0.000 +ATOM 2 CB ASN 1 5.430 0.389 0.170 +ATOM 3 CA LEU 2 4.058 -3.791 0.000 +ATOM 4 CB LEU 2 3.546 -5.658 -0.120 +ATOM 5 CA TYR 3 5.922 -3.768 -3.311 +ATOM 6 CB TYR 3 5.035 -5.724 -4.560 +ATOM 7 CA ILE 4 9.224 -3.072 -1.564 +ATOM 8 CB ILE 4 9.910 -1.445 -1.378 +ATOM 9 CA GLN 5 8.510 -5.761 1.025 +ATOM 10 CB GLN 5 7.295 -4.430 2.356 +ATOM 11 CA TRP 6 7.211 -8.069 -1.699 +ATOM 12 CB TRP 6 5.514 -9.635 -2.906 +ATOM 13 CA LEU 7 10.257 -7.360 -3.858 +ATOM 14 CB LEU 7 9.670 -5.985 -5.092 +ATOM 15 CA LYS 8 12.532 -7.626 -0.825 +ATOM 16 CB LYS 8 11.774 -5.702 0.652 +ATOM 17 CA ASP 9 11.479 -11.237 -0.287 +ATOM 18 CB ASP 9 9.786 -11.006 -0.255 +ATOM 19 CA GLY 10 11.188 -11.901 -4.017 +ATOM 20 CA GLY 11 7.515 -12.845 -3.773 +ATOM 21 CA PRO 12 6.791 -11.772 -7.346 +ATOM 22 CB PRO 12 6.976 -10.524 -6.880 +ATOM 23 CA SER 13 9.634 -13.995 -8.538 +ATOM 24 CB SER 13 10.605 -13.769 -7.966 +ATOM 25 CA SER 14 8.534 -16.791 -6.212 +ATOM 26 CB SER 14 8.316 -16.522 -5.115 +ATOM 27 CA GLY 15 4.964 -16.946 -7.507 +ATOM 28 CA ARG 16 2.142 -14.501 -8.212 +ATOM 29 CB ARG 16 0.066 -14.242 -6.034 +ATOM 30 CA PRO 17 1.450 -10.905 -7.198 +ATOM 31 CB PRO 17 0.924 -10.922 -8.436 +ATOM 32 CA PRO 18 -0.157 -10.307 -3.807 +ATOM 33 CB PRO 18 0.690 -9.271 -3.668 +ATOM 34 CA PRO 19 -3.752 -9.111 -3.514 +ATOM 35 CB PRO 19 -3.998 -10.374 -3.123 +ATOM 36 CA SER 20 -2.880 -6.650 -0.753 +ATOM 37 CB SER 20 -1.772 -6.741 -0.458 +TER +CONECT 1 3 2 +CONECT 3 5 4 +CONECT 5 7 6 +CONECT 7 9 8 +CONECT 9 11 10 +CONECT 11 13 12 +CONECT 13 15 14 +CONECT 15 17 16 +CONECT 17 19 18 +CONECT 19 20 +CONECT 20 21 +CONECT 21 23 22 +CONECT 23 25 24 +CONECT 25 27 26 +CONECT 27 28 +CONECT 28 30 29 +CONECT 30 32 31 +CONECT 32 34 33 +CONECT 34 35 +CONECT 36 37 diff --git a/examples/unres/CSA/GAB/CSA/global/unrestrained/CLUSTER/1l2y_csa_GB0000003_041.pdb b/examples/unres/CSA/GAB/CSA/global/unrestrained/CLUSTER/1l2y_csa_GB0000003_041.pdb new file mode 100644 index 0000000..e99f7cc --- /dev/null +++ b/examples/unres/CSA/GAB/CSA/global/unrestrained/CLUSTER/1l2y_csa_GB0000003_041.pdb @@ -0,0 +1,59 @@ +REMARK 1l2y ENERGY -8.37100E+01 +ATOM 1 CA ASN 1 3.800 0.000 0.000 +ATOM 2 CB ASN 1 5.289 0.746 0.249 +ATOM 3 CA LEU 2 5.601 -3.346 0.000 +ATOM 4 CB LEU 2 5.806 -5.055 -0.893 +ATOM 5 CA TYR 3 9.245 -3.383 1.078 +ATOM 6 CB TYR 3 9.523 -1.489 2.661 +ATOM 7 CA ILE 4 10.386 -4.007 -2.492 +ATOM 8 CB ILE 4 10.220 -5.607 -3.246 +ATOM 9 CA GLN 5 8.693 -0.793 -3.607 +ATOM 10 CB GLN 5 6.477 -1.005 -3.362 +ATOM 11 CA TRP 6 10.169 0.989 -0.593 +ATOM 12 CB TRP 6 10.619 2.594 1.409 +ATOM 13 CA LEU 7 13.526 -0.674 -1.227 +ATOM 14 CB LEU 7 13.749 -1.173 0.634 +ATOM 15 CA LYS 8 13.616 0.789 -4.733 +ATOM 16 CB LYS 8 11.591 -0.637 -5.301 +ATOM 17 CA ASP 9 12.300 4.134 -3.497 +ATOM 18 CB ASP 9 10.669 3.847 -3.076 +ATOM 19 CA GLY 10 15.541 4.911 -1.672 +ATOM 20 CA GLY 11 14.541 3.060 1.492 +ATOM 21 CA PRO 12 15.430 1.535 4.857 +ATOM 22 CB PRO 12 14.153 1.718 5.235 +ATOM 23 CA SER 13 18.693 0.251 3.391 +ATOM 24 CB SER 13 18.521 -0.224 2.357 +ATOM 25 CA SER 14 19.518 3.745 2.148 +ATOM 26 CB SER 14 18.631 4.224 1.595 +ATOM 27 CA GLY 15 18.799 5.370 5.506 +ATOM 28 CA ARG 16 15.519 7.007 4.505 +ATOM 29 CB ARG 16 13.602 6.487 2.230 +ATOM 30 CA PRO 17 12.499 7.295 6.793 +ATOM 31 CB PRO 17 12.430 8.462 6.128 +ATOM 32 CA PRO 18 10.168 4.305 7.059 +ATOM 33 CB PRO 18 10.269 4.529 8.381 +ATOM 34 CA PRO 19 6.693 4.545 5.541 +ATOM 35 CB PRO 19 7.057 3.642 4.613 +ATOM 36 CA SER 20 5.069 2.687 8.431 +ATOM 37 CB SER 20 5.781 1.953 8.956 +TER +CONECT 1 3 2 +CONECT 3 5 4 +CONECT 5 7 6 +CONECT 7 9 8 +CONECT 9 11 10 +CONECT 11 13 12 +CONECT 13 15 14 +CONECT 15 17 16 +CONECT 17 19 18 +CONECT 19 20 +CONECT 20 21 +CONECT 21 23 22 +CONECT 23 25 24 +CONECT 25 27 26 +CONECT 27 28 +CONECT 28 30 29 +CONECT 30 32 31 +CONECT 32 34 33 +CONECT 34 35 +CONECT 36 37 diff --git a/examples/unres/CSA/GAB/CSA/global/unrestrained/CLUSTER/1l2y_csa_GB0000003_042.pdb b/examples/unres/CSA/GAB/CSA/global/unrestrained/CLUSTER/1l2y_csa_GB0000003_042.pdb new file mode 100644 index 0000000..af904d1 --- /dev/null +++ b/examples/unres/CSA/GAB/CSA/global/unrestrained/CLUSTER/1l2y_csa_GB0000003_042.pdb @@ -0,0 +1,59 @@ +REMARK 1l2y ENERGY -8.36700E+01 +ATOM 1 CA ASN 1 3.800 0.000 0.000 +ATOM 2 CB ASN 1 4.330 0.053 1.598 +ATOM 3 CA LEU 2 4.047 -3.792 0.000 +ATOM 4 CB LEU 2 4.308 -5.561 0.749 +ATOM 5 CA TYR 3 0.835 -4.220 -1.984 +ATOM 6 CB TYR 3 0.548 -2.456 -3.709 +ATOM 7 CA ILE 4 1.400 -7.941 -2.508 +ATOM 8 CB ILE 4 3.062 -8.553 -2.638 +ATOM 9 CA GLN 5 -0.443 -9.613 0.363 +ATOM 10 CB GLN 5 0.247 -11.707 -0.032 +ATOM 11 CA TRP 6 1.197 -7.277 2.872 +ATOM 12 CB TRP 6 1.524 -8.010 5.350 +ATOM 13 CA LEU 7 -1.330 -4.533 2.148 +ATOM 14 CB LEU 7 -0.336 -2.976 1.559 +ATOM 15 CA LYS 8 -4.168 -7.061 2.128 +ATOM 16 CB LYS 8 -4.023 -6.961 -0.407 +ATOM 17 CA ASP 9 -3.047 -8.612 5.411 +ATOM 18 CB ASP 9 -1.929 -9.858 5.069 +ATOM 19 CA GLY 10 -3.467 -5.335 7.288 +ATOM 20 CA GLY 11 -0.647 -2.917 6.491 +ATOM 21 CA PRO 12 2.863 -4.372 6.544 +ATOM 22 CB PRO 12 3.011 -3.804 5.333 +ATOM 23 CA SER 13 2.935 -4.612 10.335 +ATOM 24 CB SER 13 2.412 -3.754 10.897 +ATOM 25 CA SER 14 0.109 -7.148 10.471 +ATOM 26 CB SER 14 -0.114 -6.473 9.567 +ATOM 27 CA GLY 15 0.828 -10.327 12.426 +ATOM 28 CA ARG 16 2.548 -12.166 9.580 +ATOM 29 CB ARG 16 2.308 -12.011 6.574 +ATOM 30 CA PRO 17 5.855 -11.267 7.938 +ATOM 31 CB PRO 17 6.109 -12.538 8.299 +ATOM 32 CA PRO 18 5.730 -9.524 4.564 +ATOM 33 CB PRO 18 5.636 -8.365 5.239 +ATOM 34 CA PRO 19 6.665 -11.697 1.590 +ATOM 35 CB PRO 19 5.445 -11.439 1.087 +ATOM 36 CA SER 20 8.740 -8.993 -0.091 +ATOM 37 CB SER 20 8.177 -8.052 -0.434 +TER +CONECT 1 3 2 +CONECT 3 5 4 +CONECT 5 7 6 +CONECT 7 9 8 +CONECT 9 11 10 +CONECT 11 13 12 +CONECT 13 15 14 +CONECT 15 17 16 +CONECT 17 19 18 +CONECT 19 20 +CONECT 20 21 +CONECT 21 23 22 +CONECT 23 25 24 +CONECT 25 27 26 +CONECT 27 28 +CONECT 28 30 29 +CONECT 30 32 31 +CONECT 32 34 33 +CONECT 34 35 +CONECT 36 37 diff --git a/examples/unres/CSA/GAB/CSA/global/unrestrained/CLUSTER/1l2y_csa_GB0000004_001.pdb b/examples/unres/CSA/GAB/CSA/global/unrestrained/CLUSTER/1l2y_csa_GB0000004_001.pdb new file mode 100644 index 0000000..26f2f76 --- /dev/null +++ b/examples/unres/CSA/GAB/CSA/global/unrestrained/CLUSTER/1l2y_csa_GB0000004_001.pdb @@ -0,0 +1,59 @@ +REMARK 1l2y ENERGY -8.82200E+01 +ATOM 1 CA ASN 1 3.800 0.000 0.000 +ATOM 2 CB ASN 1 5.430 0.394 0.156 +ATOM 3 CA LEU 2 4.058 -3.791 0.000 +ATOM 4 CB LEU 2 3.971 -5.698 -0.341 +ATOM 5 CA TYR 3 6.054 -3.743 -3.233 +ATOM 6 CB TYR 3 5.719 -1.307 -3.591 +ATOM 7 CA ILE 4 9.282 -3.298 -1.277 +ATOM 8 CB ILE 4 10.043 -1.736 -0.910 +ATOM 9 CA GLN 5 8.291 -6.188 0.983 +ATOM 10 CB GLN 5 7.370 -4.745 2.428 +ATOM 11 CA TRP 6 7.199 -8.185 -2.060 +ATOM 12 CB TRP 6 7.283 -10.583 -3.074 +ATOM 13 CA LEU 7 10.406 -7.266 -3.881 +ATOM 14 CB LEU 7 9.281 -6.167 -5.015 +ATOM 15 CA LYS 8 12.436 -8.352 -0.858 +ATOM 16 CB LYS 8 12.937 -6.013 -0.001 +ATOM 17 CA ASP 9 10.393 -11.542 -0.559 +ATOM 18 CB ASP 9 9.049 -11.193 0.437 +ATOM 19 CA GLY 10 11.264 -12.590 -4.106 +ATOM 20 CA GLY 11 9.804 -16.087 -3.816 +ATOM 21 CA PRO 12 6.494 -17.249 -5.275 +ATOM 22 CB PRO 12 7.100 -18.450 -5.268 +ATOM 23 CA SER 13 3.696 -14.883 -4.268 +ATOM 24 CB SER 13 3.889 -13.821 -4.664 +ATOM 25 CA SER 14 0.186 -15.239 -5.680 +ATOM 26 CB SER 14 -0.462 -16.089 -5.255 +ATOM 27 CA GLY 15 -1.263 -12.389 -3.625 +ATOM 28 CA ARG 16 1.927 -10.332 -3.450 +ATOM 29 CB ARG 16 3.916 -11.566 -1.541 +ATOM 30 CA PRO 17 3.401 -8.531 -6.455 +ATOM 31 CB PRO 17 4.093 -7.877 -5.505 +ATOM 32 CA PRO 18 5.387 -10.552 -8.987 +ATOM 33 CB PRO 18 4.449 -10.072 -9.823 +ATOM 34 CA PRO 19 9.129 -9.947 -9.243 +ATOM 35 CB PRO 19 9.218 -10.122 -7.913 +ATOM 36 CA SER 20 9.184 -10.412 -13.014 +ATOM 37 CB SER 20 8.327 -11.057 -13.430 +TER +CONECT 1 3 2 +CONECT 3 5 4 +CONECT 5 7 6 +CONECT 7 9 8 +CONECT 9 11 10 +CONECT 11 13 12 +CONECT 13 15 14 +CONECT 15 17 16 +CONECT 17 19 18 +CONECT 19 20 +CONECT 20 21 +CONECT 21 23 22 +CONECT 23 25 24 +CONECT 25 27 26 +CONECT 27 28 +CONECT 28 30 29 +CONECT 30 32 31 +CONECT 32 34 33 +CONECT 34 35 +CONECT 36 37 diff --git a/examples/unres/CSA/GAB/CSA/global/unrestrained/CLUSTER/1l2y_csa_GB0000004_002.pdb b/examples/unres/CSA/GAB/CSA/global/unrestrained/CLUSTER/1l2y_csa_GB0000004_002.pdb new file mode 100644 index 0000000..80108c8 --- /dev/null +++ b/examples/unres/CSA/GAB/CSA/global/unrestrained/CLUSTER/1l2y_csa_GB0000004_002.pdb @@ -0,0 +1,59 @@ +REMARK 1l2y ENERGY -8.80600E+01 +ATOM 1 CA ASN 1 3.800 0.000 0.000 +ATOM 2 CB ASN 1 5.440 0.380 0.056 +ATOM 3 CA LEU 2 4.060 -3.791 0.000 +ATOM 4 CB LEU 2 3.892 -5.666 -0.466 +ATOM 5 CA TYR 3 6.304 -3.723 -3.066 +ATOM 6 CB TYR 3 5.954 -1.333 -3.645 +ATOM 7 CA ILE 4 9.406 -3.395 -0.896 +ATOM 8 CB ILE 4 10.157 -1.826 -0.538 +ATOM 9 CA GLN 5 8.253 -6.360 1.182 +ATOM 10 CB GLN 5 7.137 -5.018 2.586 +ATOM 11 CA TRP 6 7.149 -8.150 -1.983 +ATOM 12 CB TRP 6 6.825 -10.249 -3.491 +ATOM 13 CA LEU 7 10.502 -7.399 -3.607 +ATOM 14 CB LEU 7 9.641 -6.000 -4.636 +ATOM 15 CA LYS 8 12.273 -9.295 -0.830 +ATOM 16 CB LYS 8 13.138 -7.177 0.276 +ATOM 17 CA ASP 9 9.573 -11.968 -0.761 +ATOM 18 CB ASP 9 8.310 -11.344 0.207 +ATOM 19 CA GLY 10 10.209 -12.922 -4.384 +ATOM 20 CA GLY 11 9.233 -10.471 -7.119 +ATOM 21 CA PRO 12 5.793 -8.857 -7.054 +ATOM 22 CB PRO 12 6.450 -7.843 -7.644 +ATOM 23 CA SER 13 3.030 -11.467 -7.053 +ATOM 24 CB SER 13 3.115 -12.282 -6.246 +ATOM 25 CA SER 14 0.578 -9.218 -5.216 +ATOM 26 CB SER 14 1.177 -8.572 -4.476 +ATOM 27 CA GLY 15 -1.878 -6.611 -6.482 +ATOM 28 CA ARG 16 0.171 -3.596 -5.410 +ATOM 29 CB ARG 16 2.796 -5.017 -4.953 +ATOM 30 CA PRO 17 2.647 -1.386 -7.261 +ATOM 31 CB PRO 17 2.349 -0.545 -6.255 +ATOM 32 CA PRO 18 6.213 -2.608 -7.740 +ATOM 33 CB PRO 18 5.769 -3.023 -8.940 +ATOM 34 CA PRO 19 9.398 -0.537 -7.640 +ATOM 35 CB PRO 19 9.452 -0.716 -6.308 +ATOM 36 CA SER 20 11.476 -3.352 -9.123 +ATOM 37 CB SER 20 10.896 -4.341 -9.036 +TER +CONECT 1 3 2 +CONECT 3 5 4 +CONECT 5 7 6 +CONECT 7 9 8 +CONECT 9 11 10 +CONECT 11 13 12 +CONECT 13 15 14 +CONECT 15 17 16 +CONECT 17 19 18 +CONECT 19 20 +CONECT 20 21 +CONECT 21 23 22 +CONECT 23 25 24 +CONECT 25 27 26 +CONECT 27 28 +CONECT 28 30 29 +CONECT 30 32 31 +CONECT 32 34 33 +CONECT 34 35 +CONECT 36 37 diff --git a/examples/unres/CSA/GAB/CSA/global/unrestrained/CLUSTER/1l2y_csa_GB0000004_003.pdb b/examples/unres/CSA/GAB/CSA/global/unrestrained/CLUSTER/1l2y_csa_GB0000004_003.pdb new file mode 100644 index 0000000..cfdbc3c --- /dev/null +++ b/examples/unres/CSA/GAB/CSA/global/unrestrained/CLUSTER/1l2y_csa_GB0000004_003.pdb @@ -0,0 +1,59 @@ +REMARK 1l2y ENERGY -8.80600E+01 +ATOM 1 CA ASN 1 3.800 0.000 0.000 +ATOM 2 CB ASN 1 5.354 0.598 0.254 +ATOM 3 CA LEU 2 4.048 -3.792 0.000 +ATOM 4 CB LEU 2 3.268 -5.557 -0.184 +ATOM 5 CA TYR 3 5.454 -3.903 -3.529 +ATOM 6 CB TYR 3 6.487 -1.665 -3.226 +ATOM 7 CA ILE 4 8.715 -5.486 -4.669 +ATOM 8 CB ILE 4 8.484 -6.779 -5.864 +ATOM 9 CA GLN 5 10.528 -2.154 -4.443 +ATOM 10 CB GLN 5 9.662 -0.580 -5.781 +ATOM 11 CA TRP 6 9.425 -1.811 -0.823 +ATOM 12 CB TRP 6 7.851 -2.428 1.159 +ATOM 13 CA LEU 7 10.184 -5.489 -0.238 +ATOM 14 CB LEU 7 8.579 -6.575 -0.291 +ATOM 15 CA LYS 8 13.886 -4.807 -0.762 +ATOM 16 CB LYS 8 13.501 -2.965 -2.469 +ATOM 17 CA ASP 9 13.672 -1.678 1.384 +ATOM 18 CB ASP 9 12.728 -0.561 0.499 +ATOM 19 CA GLY 10 13.493 -3.735 4.574 +ATOM 20 CA GLY 11 9.846 -4.729 4.189 +ATOM 21 CA PRO 12 7.174 -6.983 5.678 +ATOM 22 CB PRO 12 6.469 -6.781 4.551 +ATOM 23 CA SER 13 7.085 -10.714 6.391 +ATOM 24 CB SER 13 7.904 -11.110 7.095 +ATOM 25 CA SER 14 4.378 -10.339 9.031 +ATOM 26 CB SER 14 4.240 -9.222 9.268 +ATOM 27 CA GLY 15 0.683 -11.173 8.721 +ATOM 28 CA ARG 16 0.066 -8.986 5.675 +ATOM 29 CB ARG 16 1.652 -6.652 4.600 +ATOM 30 CA PRO 17 0.917 -10.268 2.201 +ATOM 31 CB PRO 17 -0.093 -9.432 1.900 +ATOM 32 CA PRO 18 4.450 -10.178 0.805 +ATOM 33 CB PRO 18 4.829 -10.406 2.076 +ATOM 34 CA PRO 19 4.391 -10.634 -2.967 +ATOM 35 CB PRO 19 4.762 -9.386 -3.302 +ATOM 36 CA SER 20 8.119 -11.328 -3.221 +ATOM 37 CB SER 20 8.785 -10.398 -3.102 +TER +CONECT 1 3 2 +CONECT 3 5 4 +CONECT 5 7 6 +CONECT 7 9 8 +CONECT 9 11 10 +CONECT 11 13 12 +CONECT 13 15 14 +CONECT 15 17 16 +CONECT 17 19 18 +CONECT 19 20 +CONECT 20 21 +CONECT 21 23 22 +CONECT 23 25 24 +CONECT 25 27 26 +CONECT 27 28 +CONECT 28 30 29 +CONECT 30 32 31 +CONECT 32 34 33 +CONECT 34 35 +CONECT 36 37 diff --git a/examples/unres/CSA/GAB/CSA/global/unrestrained/CLUSTER/1l2y_csa_GB0000004_004.pdb b/examples/unres/CSA/GAB/CSA/global/unrestrained/CLUSTER/1l2y_csa_GB0000004_004.pdb new file mode 100644 index 0000000..5dae80a --- /dev/null +++ b/examples/unres/CSA/GAB/CSA/global/unrestrained/CLUSTER/1l2y_csa_GB0000004_004.pdb @@ -0,0 +1,59 @@ +REMARK 1l2y ENERGY -8.78900E+01 +ATOM 1 CA ASN 1 3.800 0.000 0.000 +ATOM 2 CB ASN 1 5.324 0.595 0.398 +ATOM 3 CA LEU 2 4.046 -3.792 0.000 +ATOM 4 CB LEU 2 3.266 -5.502 0.478 +ATOM 5 CA TYR 3 4.245 -3.975 -3.790 +ATOM 6 CB TYR 3 5.504 -1.882 -3.340 +ATOM 7 CA ILE 4 6.671 -5.440 -6.321 +ATOM 8 CB ILE 4 6.012 -6.636 -7.456 +ATOM 9 CA GLN 5 8.455 -2.093 -6.565 +ATOM 10 CB GLN 5 8.621 0.066 -5.992 +ATOM 11 CA TRP 6 9.473 -2.447 -2.921 +ATOM 12 CB TRP 6 8.307 -4.321 -1.538 +ATOM 13 CA LEU 7 11.071 -5.777 -3.814 +ATOM 14 CB LEU 7 10.079 -7.442 -3.806 +ATOM 15 CA LYS 8 13.424 -3.947 -6.172 +ATOM 16 CB LYS 8 11.763 -4.822 -7.884 +ATOM 17 CA ASP 9 14.205 -1.479 -3.390 +ATOM 18 CB ASP 9 13.129 -0.159 -3.526 +ATOM 19 CA GLY 10 14.939 -4.303 -0.955 +ATOM 20 CA GLY 11 14.908 -2.102 2.143 +ATOM 21 CA PRO 12 11.122 -1.788 2.197 +ATOM 22 CB PRO 12 11.024 -1.266 0.961 +ATOM 23 CA SER 13 10.822 -5.515 1.518 +ATOM 24 CB SER 13 11.416 -5.897 0.610 +ATOM 25 CA SER 14 13.242 -6.220 4.362 +ATOM 26 CB SER 14 13.946 -5.341 4.592 +ATOM 27 CA GLY 15 10.639 -5.509 7.038 +ATOM 28 CA ARG 16 7.564 -6.100 4.886 +ATOM 29 CB ARG 16 7.475 -3.963 2.754 +ATOM 30 CA PRO 17 6.269 -9.263 3.224 +ATOM 31 CB PRO 17 5.160 -8.786 3.816 +ATOM 32 CA PRO 18 7.348 -9.991 -0.346 +ATOM 33 CB PRO 18 7.289 -11.314 -0.110 +ATOM 34 CA PRO 19 4.329 -9.659 -2.630 +ATOM 35 CB PRO 19 4.850 -8.434 -2.827 +ATOM 36 CA SER 20 5.877 -11.695 -5.440 +ATOM 37 CB SER 20 6.651 -11.119 -6.066 +TER +CONECT 1 3 2 +CONECT 3 5 4 +CONECT 5 7 6 +CONECT 7 9 8 +CONECT 9 11 10 +CONECT 11 13 12 +CONECT 13 15 14 +CONECT 15 17 16 +CONECT 17 19 18 +CONECT 19 20 +CONECT 20 21 +CONECT 21 23 22 +CONECT 23 25 24 +CONECT 25 27 26 +CONECT 27 28 +CONECT 28 30 29 +CONECT 30 32 31 +CONECT 32 34 33 +CONECT 34 35 +CONECT 36 37 diff --git a/examples/unres/CSA/GAB/CSA/global/unrestrained/CLUSTER/1l2y_csa_GB0000004_005.pdb b/examples/unres/CSA/GAB/CSA/global/unrestrained/CLUSTER/1l2y_csa_GB0000004_005.pdb new file mode 100644 index 0000000..1b0bd3a --- /dev/null +++ b/examples/unres/CSA/GAB/CSA/global/unrestrained/CLUSTER/1l2y_csa_GB0000004_005.pdb @@ -0,0 +1,59 @@ +REMARK 1l2y ENERGY -8.78000E+01 +ATOM 1 CA ASN 1 3.800 0.000 0.000 +ATOM 2 CB ASN 1 5.406 0.461 0.210 +ATOM 3 CA LEU 2 4.055 -3.791 0.000 +ATOM 4 CB LEU 2 3.991 -5.717 -0.218 +ATOM 5 CA TYR 3 5.901 -3.762 -3.321 +ATOM 6 CB TYR 3 6.101 -1.294 -3.517 +ATOM 7 CA ILE 4 9.264 -3.509 -1.570 +ATOM 8 CB ILE 4 9.863 -1.979 -0.897 +ATOM 9 CA GLN 5 8.081 -5.934 1.105 +ATOM 10 CB GLN 5 7.460 -4.179 2.351 +ATOM 11 CA TRP 6 7.202 -8.420 -1.632 +ATOM 12 CB TRP 6 6.731 -8.302 -4.191 +ATOM 13 CA LEU 7 10.714 -8.010 -3.024 +ATOM 14 CB LEU 7 11.038 -7.482 -4.861 +ATOM 15 CA LYS 8 12.141 -8.506 0.463 +ATOM 16 CB LYS 8 12.591 -6.059 0.977 +ATOM 17 CA ASP 9 9.914 -11.545 0.960 +ATOM 18 CB ASP 9 8.505 -10.919 1.697 +ATOM 19 CA GLY 10 11.130 -13.104 -2.285 +ATOM 20 CA GLY 11 8.748 -16.061 -2.129 +ATOM 21 CA PRO 12 5.691 -13.928 -2.869 +ATOM 22 CB PRO 12 5.920 -12.867 -2.074 +ATOM 23 CA SER 13 7.628 -12.135 -5.603 +ATOM 24 CB SER 13 8.631 -11.668 -5.290 +ATOM 25 CA SER 14 8.716 -15.486 -7.026 +ATOM 26 CB SER 14 8.682 -16.349 -6.266 +ATOM 27 CA GLY 15 5.344 -16.108 -8.665 +ATOM 28 CA ARG 16 4.298 -12.464 -8.923 +ATOM 29 CB ARG 16 4.118 -11.308 -6.138 +ATOM 30 CA PRO 17 5.871 -9.708 -11.013 +ATOM 31 CB PRO 17 4.563 -9.509 -11.255 +ATOM 32 CA PRO 18 8.663 -7.667 -9.439 +ATOM 33 CB PRO 18 9.286 -7.893 -10.610 +ATOM 34 CA PRO 19 7.922 -4.071 -8.458 +ATOM 35 CB PRO 19 7.923 -4.439 -7.164 +ATOM 36 CA SER 20 11.415 -2.878 -9.361 +ATOM 37 CB SER 20 12.227 -3.624 -9.034 +TER +CONECT 1 3 2 +CONECT 3 5 4 +CONECT 5 7 6 +CONECT 7 9 8 +CONECT 9 11 10 +CONECT 11 13 12 +CONECT 13 15 14 +CONECT 15 17 16 +CONECT 17 19 18 +CONECT 19 20 +CONECT 20 21 +CONECT 21 23 22 +CONECT 23 25 24 +CONECT 25 27 26 +CONECT 27 28 +CONECT 28 30 29 +CONECT 30 32 31 +CONECT 32 34 33 +CONECT 34 35 +CONECT 36 37 diff --git a/examples/unres/CSA/GAB/CSA/global/unrestrained/CLUSTER/1l2y_csa_GB0000004_006.pdb b/examples/unres/CSA/GAB/CSA/global/unrestrained/CLUSTER/1l2y_csa_GB0000004_006.pdb new file mode 100644 index 0000000..3714ba0 --- /dev/null +++ b/examples/unres/CSA/GAB/CSA/global/unrestrained/CLUSTER/1l2y_csa_GB0000004_006.pdb @@ -0,0 +1,59 @@ +REMARK 1l2y ENERGY -8.70600E+01 +ATOM 1 CA ASN 1 3.800 0.000 0.000 +ATOM 2 CB ASN 1 5.387 0.466 0.316 +ATOM 3 CA LEU 2 4.052 -3.792 0.000 +ATOM 4 CB LEU 2 3.668 -4.502 1.763 +ATOM 5 CA TYR 3 3.392 -3.955 -3.739 +ATOM 6 CB TYR 3 2.971 -2.861 -5.929 +ATOM 7 CA ILE 4 7.024 -3.068 -4.416 +ATOM 8 CB ILE 4 7.675 -1.623 -3.615 +ATOM 9 CA GLN 5 8.029 -6.665 -3.717 +ATOM 10 CB GLN 5 7.440 -6.442 -1.567 +ATOM 11 CA TRP 6 5.295 -7.855 -6.074 +ATOM 12 CB TRP 6 4.261 -7.656 -3.691 +ATOM 13 CA LEU 7 6.237 -5.133 -8.552 +ATOM 14 CB LEU 7 6.387 -3.327 -9.243 +ATOM 15 CA LYS 8 9.722 -6.623 -8.834 +ATOM 16 CB LYS 8 10.591 -5.181 -6.931 +ATOM 17 CA ASP 9 8.212 -9.858 -10.137 +ATOM 18 CB ASP 9 7.253 -10.489 -8.871 +ATOM 19 CA GLY 10 7.489 -8.261 -13.508 +ATOM 20 CA GLY 11 4.560 -10.528 -14.357 +ATOM 21 CA PRO 12 2.381 -9.068 -11.608 +ATOM 22 CB PRO 12 3.271 -8.713 -10.664 +ATOM 23 CA SER 13 3.568 -5.579 -12.533 +ATOM 24 CB SER 13 4.693 -5.404 -12.699 +ATOM 25 CA SER 14 2.620 -6.248 -16.151 +ATOM 26 CB SER 14 3.580 -6.881 -16.163 +ATOM 27 CA GLY 15 -1.098 -6.071 -15.385 +ATOM 28 CA ARG 16 -0.829 -4.009 -12.205 +ATOM 29 CB ARG 16 1.137 -4.826 -10.064 +ATOM 30 CA PRO 17 0.076 -0.355 -11.691 +ATOM 31 CB PRO 17 -0.726 -0.521 -10.625 +ATOM 32 CA PRO 18 3.729 0.589 -11.236 +ATOM 33 CB PRO 18 3.543 1.164 -12.438 +ATOM 34 CA PRO 19 4.926 2.499 -8.176 +ATOM 35 CB PRO 19 5.116 1.391 -7.438 +ATOM 36 CA SER 20 8.372 3.127 -9.650 +ATOM 37 CB SER 20 8.807 2.162 -10.099 +TER +CONECT 1 3 2 +CONECT 3 5 4 +CONECT 5 7 6 +CONECT 7 9 8 +CONECT 9 11 10 +CONECT 11 13 12 +CONECT 13 15 14 +CONECT 15 17 16 +CONECT 17 19 18 +CONECT 19 20 +CONECT 20 21 +CONECT 21 23 22 +CONECT 23 25 24 +CONECT 25 27 26 +CONECT 27 28 +CONECT 28 30 29 +CONECT 30 32 31 +CONECT 32 34 33 +CONECT 34 35 +CONECT 36 37 diff --git a/examples/unres/CSA/GAB/CSA/global/unrestrained/CLUSTER/1l2y_csa_GB0000004_007.pdb b/examples/unres/CSA/GAB/CSA/global/unrestrained/CLUSTER/1l2y_csa_GB0000004_007.pdb new file mode 100644 index 0000000..9b276bf --- /dev/null +++ b/examples/unres/CSA/GAB/CSA/global/unrestrained/CLUSTER/1l2y_csa_GB0000004_007.pdb @@ -0,0 +1,59 @@ +REMARK 1l2y ENERGY -8.68800E+01 +ATOM 1 CA ASN 1 3.800 0.000 0.000 +ATOM 2 CB ASN 1 5.326 0.636 0.319 +ATOM 3 CA LEU 2 4.045 -3.792 0.000 +ATOM 4 CB LEU 2 3.650 -5.644 0.417 +ATOM 5 CA TYR 3 4.456 -3.960 -3.774 +ATOM 6 CB TYR 3 5.886 -2.004 -3.227 +ATOM 7 CA ILE 4 6.931 -6.186 -5.607 +ATOM 8 CB ILE 4 6.286 -7.316 -6.817 +ATOM 9 CA GLN 5 9.572 -3.454 -5.545 +ATOM 10 CB GLN 5 9.964 -1.329 -4.955 +ATOM 11 CA TRP 6 9.272 -3.264 -1.762 +ATOM 12 CB TRP 6 9.866 -1.207 -0.277 +ATOM 13 CA LEU 7 9.180 -7.055 -1.528 +ATOM 14 CB LEU 7 8.068 -8.564 -2.024 +ATOM 15 CA LYS 8 12.140 -7.329 -3.895 +ATOM 16 CB LYS 8 11.135 -7.390 -6.228 +ATOM 17 CA ASP 9 14.322 -5.278 -1.555 +ATOM 18 CB ASP 9 13.568 -3.761 -1.324 +ATOM 19 CA GLY 10 12.735 -6.767 1.559 +ATOM 20 CA GLY 11 11.241 -3.450 2.656 +ATOM 21 CA PRO 12 8.047 -3.034 4.672 +ATOM 22 CB PRO 12 7.449 -2.648 3.530 +ATOM 23 CA SER 13 6.738 -6.447 3.633 +ATOM 24 CB SER 13 7.199 -6.879 2.673 +ATOM 25 CA SER 14 9.007 -8.229 6.107 +ATOM 26 CB SER 14 9.578 -7.528 6.817 +ATOM 27 CA GLY 15 6.138 -9.184 8.409 +ATOM 28 CA ARG 16 3.356 -8.861 5.841 +ATOM 29 CB ARG 16 3.676 -6.013 4.888 +ATOM 30 CA PRO 17 2.382 -11.282 3.079 +ATOM 31 CB PRO 17 1.184 -10.733 3.345 +ATOM 32 CA PRO 18 4.172 -11.099 -0.268 +ATOM 33 CB PRO 18 4.396 -12.403 -0.026 +ATOM 34 CA PRO 19 2.234 -9.924 -3.319 +ATOM 35 CB PRO 19 3.041 -8.848 -3.322 +ATOM 36 CA SER 20 4.147 -12.174 -5.709 +ATOM 37 CB SER 20 5.266 -11.911 -5.742 +TER +CONECT 1 3 2 +CONECT 3 5 4 +CONECT 5 7 6 +CONECT 7 9 8 +CONECT 9 11 10 +CONECT 11 13 12 +CONECT 13 15 14 +CONECT 15 17 16 +CONECT 17 19 18 +CONECT 19 20 +CONECT 20 21 +CONECT 21 23 22 +CONECT 23 25 24 +CONECT 25 27 26 +CONECT 27 28 +CONECT 28 30 29 +CONECT 30 32 31 +CONECT 32 34 33 +CONECT 34 35 +CONECT 36 37 diff --git a/examples/unres/CSA/GAB/CSA/global/unrestrained/CLUSTER/1l2y_csa_GB0000004_008.pdb b/examples/unres/CSA/GAB/CSA/global/unrestrained/CLUSTER/1l2y_csa_GB0000004_008.pdb new file mode 100644 index 0000000..e0c9078 --- /dev/null +++ b/examples/unres/CSA/GAB/CSA/global/unrestrained/CLUSTER/1l2y_csa_GB0000004_008.pdb @@ -0,0 +1,59 @@ +REMARK 1l2y ENERGY -8.68100E+01 +ATOM 1 CA ASN 1 3.800 0.000 0.000 +ATOM 2 CB ASN 1 5.430 0.393 0.153 +ATOM 3 CA LEU 2 4.058 -3.791 0.000 +ATOM 4 CB LEU 2 3.951 -5.697 -0.342 +ATOM 5 CA TYR 3 6.066 -3.742 -3.226 +ATOM 6 CB TYR 3 5.732 -1.309 -3.594 +ATOM 7 CA ILE 4 9.289 -3.307 -1.260 +ATOM 8 CB ILE 4 10.050 -1.747 -0.886 +ATOM 9 CA GLN 5 8.273 -6.185 1.005 +ATOM 10 CB GLN 5 7.349 -4.735 2.442 +ATOM 11 CA TRP 6 7.185 -8.186 -2.036 +ATOM 12 CB TRP 6 7.298 -10.608 -2.988 +ATOM 13 CA LEU 7 10.407 -7.291 -3.842 +ATOM 14 CB LEU 7 9.287 -6.212 -4.999 +ATOM 15 CA LYS 8 12.414 -8.359 -0.798 +ATOM 16 CB LYS 8 12.913 -6.022 0.065 +ATOM 17 CA ASP 9 10.385 -11.559 -0.509 +ATOM 18 CB ASP 9 9.048 -11.228 0.504 +ATOM 19 CA GLY 10 11.285 -12.604 -4.050 +ATOM 20 CA GLY 11 9.905 -16.132 -3.746 +ATOM 21 CA PRO 12 6.631 -17.328 -5.261 +ATOM 22 CB PRO 12 7.247 -18.523 -5.244 +ATOM 23 CA SER 13 3.806 -14.974 -4.302 +ATOM 24 CB SER 13 3.993 -13.902 -4.674 +ATOM 25 CA SER 14 0.339 -15.341 -5.814 +ATOM 26 CB SER 14 -0.316 -16.197 -5.412 +ATOM 27 CA GLY 15 -1.175 -12.509 -3.784 +ATOM 28 CA ARG 16 1.981 -10.403 -3.572 +ATOM 29 CB ARG 16 3.896 -11.564 -1.546 +ATOM 30 CA PRO 17 3.488 -8.505 -6.500 +ATOM 31 CB PRO 17 4.143 -7.856 -5.521 +ATOM 32 CA PRO 18 5.631 -10.394 -9.006 +ATOM 33 CB PRO 18 4.762 -9.867 -9.887 +ATOM 34 CA PRO 19 9.347 -9.623 -9.188 +ATOM 35 CB PRO 19 9.303 -10.023 -7.905 +ATOM 36 CA SER 20 10.886 -9.647 -12.663 +ATOM 37 CB SER 20 11.453 -8.672 -12.890 +TER +CONECT 1 3 2 +CONECT 3 5 4 +CONECT 5 7 6 +CONECT 7 9 8 +CONECT 9 11 10 +CONECT 11 13 12 +CONECT 13 15 14 +CONECT 15 17 16 +CONECT 17 19 18 +CONECT 19 20 +CONECT 20 21 +CONECT 21 23 22 +CONECT 23 25 24 +CONECT 25 27 26 +CONECT 27 28 +CONECT 28 30 29 +CONECT 30 32 31 +CONECT 32 34 33 +CONECT 34 35 +CONECT 36 37 diff --git a/examples/unres/CSA/GAB/CSA/global/unrestrained/CLUSTER/1l2y_csa_GB0000004_009.pdb b/examples/unres/CSA/GAB/CSA/global/unrestrained/CLUSTER/1l2y_csa_GB0000004_009.pdb new file mode 100644 index 0000000..c8badf7 --- /dev/null +++ b/examples/unres/CSA/GAB/CSA/global/unrestrained/CLUSTER/1l2y_csa_GB0000004_009.pdb @@ -0,0 +1,59 @@ +REMARK 1l2y ENERGY -8.67000E+01 +ATOM 1 CA ASN 1 3.800 0.000 0.000 +ATOM 2 CB ASN 1 5.366 0.546 0.292 +ATOM 3 CA LEU 2 4.049 -3.792 0.000 +ATOM 4 CB LEU 2 3.456 -5.633 0.128 +ATOM 5 CA TYR 3 5.124 -3.927 -3.642 +ATOM 6 CB TYR 3 6.242 -1.738 -3.288 +ATOM 7 CA ILE 4 8.228 -5.705 -4.924 +ATOM 8 CB ILE 4 7.931 -6.970 -6.135 +ATOM 9 CA GLN 5 10.228 -2.475 -4.833 +ATOM 10 CB GLN 5 9.333 -0.744 -5.937 +ATOM 11 CA TRP 6 9.369 -2.052 -1.156 +ATOM 12 CB TRP 6 7.888 -2.554 0.928 +ATOM 13 CA LEU 7 10.006 -5.751 -0.564 +ATOM 14 CB LEU 7 8.507 -6.979 -0.497 +ATOM 15 CA LYS 8 13.486 -5.384 -2.045 +ATOM 16 CB LYS 8 13.201 -3.260 -3.411 +ATOM 17 CA ASP 9 14.139 -2.314 0.097 +ATOM 18 CB ASP 9 12.779 -1.283 0.196 +ATOM 19 CA GLY 10 13.647 -4.288 3.306 +ATOM 20 CA GLY 11 10.333 -2.679 4.239 +ATOM 21 CA PRO 12 7.519 -3.932 6.463 +ATOM 22 CB PRO 12 7.497 -2.643 6.844 +ATOM 23 CA SER 13 5.783 -6.924 4.889 +ATOM 24 CB SER 13 6.114 -6.615 3.832 +ATOM 25 CA SER 14 4.950 -8.463 8.263 +ATOM 26 CB SER 14 5.262 -7.829 9.171 +ATOM 27 CA GLY 15 1.289 -7.452 8.163 +ATOM 28 CA ARG 16 0.886 -7.534 4.385 +ATOM 29 CB ARG 16 2.135 -4.797 4.111 +ATOM 30 CA PRO 17 1.022 -10.519 2.037 +ATOM 31 CB PRO 17 -0.198 -10.027 1.759 +ATOM 32 CA PRO 18 4.110 -10.953 -0.135 +ATOM 33 CB PRO 18 4.084 -12.205 0.356 +ATOM 34 CA PRO 19 3.716 -10.323 -3.862 +ATOM 35 CB PRO 19 4.322 -9.144 -3.634 +ATOM 36 CA SER 20 6.354 -12.881 -4.831 +ATOM 37 CB SER 20 7.082 -12.006 -4.994 +TER +CONECT 1 3 2 +CONECT 3 5 4 +CONECT 5 7 6 +CONECT 7 9 8 +CONECT 9 11 10 +CONECT 11 13 12 +CONECT 13 15 14 +CONECT 15 17 16 +CONECT 17 19 18 +CONECT 19 20 +CONECT 20 21 +CONECT 21 23 22 +CONECT 23 25 24 +CONECT 25 27 26 +CONECT 27 28 +CONECT 28 30 29 +CONECT 30 32 31 +CONECT 32 34 33 +CONECT 34 35 +CONECT 36 37 diff --git a/examples/unres/CSA/GAB/CSA/global/unrestrained/CLUSTER/1l2y_csa_GB0000004_010.pdb b/examples/unres/CSA/GAB/CSA/global/unrestrained/CLUSTER/1l2y_csa_GB0000004_010.pdb new file mode 100644 index 0000000..b1f4faf --- /dev/null +++ b/examples/unres/CSA/GAB/CSA/global/unrestrained/CLUSTER/1l2y_csa_GB0000004_010.pdb @@ -0,0 +1,59 @@ +REMARK 1l2y ENERGY -8.66900E+01 +ATOM 1 CA ASN 1 3.800 0.000 0.000 +ATOM 2 CB ASN 1 5.428 0.230 0.366 +ATOM 3 CA LEU 2 4.061 -3.791 0.000 +ATOM 4 CB LEU 2 3.696 -5.565 0.694 +ATOM 5 CA TYR 3 4.294 -3.987 -3.788 +ATOM 6 CB TYR 3 4.943 -1.604 -3.526 +ATOM 7 CA ILE 4 7.093 -5.003 -6.149 +ATOM 8 CB ILE 4 6.755 -6.296 -7.319 +ATOM 9 CA GLN 5 8.058 -1.370 -6.707 +ATOM 10 CB GLN 5 7.700 0.789 -6.230 +ATOM 11 CA TRP 6 8.701 -1.005 -2.979 +ATOM 12 CB TRP 6 9.177 1.366 -2.011 +ATOM 13 CA LEU 7 10.405 -4.401 -3.002 +ATOM 14 CB LEU 7 10.461 -6.339 -3.045 +ATOM 15 CA LYS 8 12.754 -3.161 -5.721 +ATOM 16 CB LYS 8 11.557 -4.358 -7.616 +ATOM 17 CA ASP 9 13.547 -0.108 -3.602 +ATOM 18 CB ASP 9 12.659 1.270 -4.081 +ATOM 19 CA GLY 10 13.714 -2.237 -0.458 +ATOM 20 CA GLY 11 10.873 -0.439 1.311 +ATOM 21 CA PRO 12 8.817 -3.588 1.853 +ATOM 22 CB PRO 12 8.295 -3.502 0.616 +ATOM 23 CA SER 13 11.988 -5.506 2.693 +ATOM 24 CB SER 13 11.694 -6.093 1.748 +ATOM 25 CA SER 14 12.789 -2.894 5.333 +ATOM 26 CB SER 14 12.066 -2.004 5.245 +ATOM 27 CA GLY 15 11.078 -4.825 8.124 +ATOM 28 CA ARG 16 8.016 -5.954 6.178 +ATOM 29 CB ARG 16 6.357 -4.030 4.543 +ATOM 30 CA PRO 17 7.568 -9.038 4.003 +ATOM 31 CB PRO 17 6.273 -8.826 4.300 +ATOM 32 CA PRO 18 8.581 -9.019 0.341 +ATOM 33 CB PRO 18 9.355 -10.041 0.745 +ATOM 34 CA PRO 19 5.811 -9.220 -2.253 +ATOM 35 CB PRO 19 6.044 -7.909 -2.443 +ATOM 36 CA SER 20 7.850 -11.371 -4.631 +ATOM 37 CB SER 20 8.108 -10.426 -5.233 +TER +CONECT 1 3 2 +CONECT 3 5 4 +CONECT 5 7 6 +CONECT 7 9 8 +CONECT 9 11 10 +CONECT 11 13 12 +CONECT 13 15 14 +CONECT 15 17 16 +CONECT 17 19 18 +CONECT 19 20 +CONECT 20 21 +CONECT 21 23 22 +CONECT 23 25 24 +CONECT 25 27 26 +CONECT 27 28 +CONECT 28 30 29 +CONECT 30 32 31 +CONECT 32 34 33 +CONECT 34 35 +CONECT 36 37 diff --git a/examples/unres/CSA/GAB/CSA/global/unrestrained/CLUSTER/1l2y_csa_GB0000004_011.pdb b/examples/unres/CSA/GAB/CSA/global/unrestrained/CLUSTER/1l2y_csa_GB0000004_011.pdb new file mode 100644 index 0000000..e95d6f5 --- /dev/null +++ b/examples/unres/CSA/GAB/CSA/global/unrestrained/CLUSTER/1l2y_csa_GB0000004_011.pdb @@ -0,0 +1,59 @@ +REMARK 1l2y ENERGY -8.64300E+01 +ATOM 1 CA ASN 1 3.800 0.000 0.000 +ATOM 2 CB ASN 1 5.371 0.518 0.315 +ATOM 3 CA LEU 2 4.050 -3.792 0.000 +ATOM 4 CB LEU 2 3.377 -5.527 0.544 +ATOM 5 CA TYR 3 5.002 -3.920 -3.677 +ATOM 6 CB TYR 3 6.130 -1.738 -3.303 +ATOM 7 CA ILE 4 8.029 -5.543 -5.301 +ATOM 8 CB ILE 4 7.666 -6.790 -6.513 +ATOM 9 CA GLN 5 10.026 -2.321 -5.027 +ATOM 10 CB GLN 5 9.399 -0.319 -5.811 +ATOM 11 CA TRP 6 9.351 -2.233 -1.289 +ATOM 12 CB TRP 6 7.907 -2.624 0.844 +ATOM 13 CA LEU 7 9.980 -5.976 -1.107 +ATOM 14 CB LEU 7 8.280 -6.909 -1.148 +ATOM 15 CA LYS 8 13.482 -5.434 -2.478 +ATOM 16 CB LYS 8 12.753 -6.435 -4.696 +ATOM 17 CA ASP 9 13.925 -2.341 -0.315 +ATOM 18 CB ASP 9 13.019 -1.124 -1.102 +ATOM 19 CA GLY 10 13.781 -4.426 2.859 +ATOM 20 CA GLY 11 10.853 -6.785 3.409 +ATOM 21 CA PRO 12 7.182 -6.149 4.160 +ATOM 22 CB PRO 12 7.026 -7.284 3.455 +ATOM 23 CA SER 13 6.373 -4.050 7.222 +ATOM 24 CB SER 13 6.624 -2.933 7.109 +ATOM 25 CA SER 14 2.690 -3.792 6.323 +ATOM 26 CB SER 14 2.609 -3.936 5.185 +ATOM 27 CA GLY 15 -0.003 -6.228 7.445 +ATOM 28 CA ARG 16 -0.464 -7.950 4.089 +ATOM 29 CB ARG 16 -0.392 -5.208 2.825 +ATOM 30 CA PRO 17 1.138 -10.891 2.293 +ATOM 31 CB PRO 17 -0.162 -11.098 2.018 +ATOM 32 CA PRO 18 4.112 -10.325 -0.003 +ATOM 33 CB PRO 18 4.650 -11.311 0.737 +ATOM 34 CA PRO 19 3.601 -10.646 -3.755 +ATOM 35 CB PRO 19 4.007 -9.383 -3.977 +ATOM 36 CA SER 20 7.187 -11.725 -4.404 +ATOM 37 CB SER 20 7.918 -10.868 -4.172 +TER +CONECT 1 3 2 +CONECT 3 5 4 +CONECT 5 7 6 +CONECT 7 9 8 +CONECT 9 11 10 +CONECT 11 13 12 +CONECT 13 15 14 +CONECT 15 17 16 +CONECT 17 19 18 +CONECT 19 20 +CONECT 20 21 +CONECT 21 23 22 +CONECT 23 25 24 +CONECT 25 27 26 +CONECT 27 28 +CONECT 28 30 29 +CONECT 30 32 31 +CONECT 32 34 33 +CONECT 34 35 +CONECT 36 37 diff --git a/examples/unres/CSA/GAB/CSA/global/unrestrained/CLUSTER/1l2y_csa_GB0000004_012.pdb b/examples/unres/CSA/GAB/CSA/global/unrestrained/CLUSTER/1l2y_csa_GB0000004_012.pdb new file mode 100644 index 0000000..17e1ae0 --- /dev/null +++ b/examples/unres/CSA/GAB/CSA/global/unrestrained/CLUSTER/1l2y_csa_GB0000004_012.pdb @@ -0,0 +1,59 @@ +REMARK 1l2y ENERGY -8.63400E+01 +ATOM 1 CA ASN 1 3.800 0.000 0.000 +ATOM 2 CB ASN 1 5.355 0.602 0.237 +ATOM 3 CA LEU 2 4.048 -3.792 0.000 +ATOM 4 CB LEU 2 3.322 -5.587 -0.100 +ATOM 5 CA TYR 3 5.490 -3.900 -3.514 +ATOM 6 CB TYR 3 6.576 -1.688 -3.198 +ATOM 7 CA ILE 4 8.733 -5.574 -4.571 +ATOM 8 CB ILE 4 8.466 -6.890 -5.733 +ATOM 9 CA GLN 5 10.627 -2.286 -4.374 +ATOM 10 CB GLN 5 9.796 -0.703 -5.724 +ATOM 11 CA TRP 6 9.494 -1.853 -0.773 +ATOM 12 CB TRP 6 7.886 -2.378 1.208 +ATOM 13 CA LEU 7 10.221 -5.518 -0.081 +ATOM 14 CB LEU 7 8.628 -6.614 -0.229 +ATOM 15 CA LYS 8 13.929 -4.890 -0.621 +ATOM 16 CB LYS 8 13.581 -3.089 -2.380 +ATOM 17 CA ASP 9 13.766 -1.695 1.430 +ATOM 18 CB ASP 9 12.820 -0.601 0.518 +ATOM 19 CA GLY 10 13.596 -3.650 4.684 +ATOM 20 CA GLY 11 9.900 -4.485 4.399 +ATOM 21 CA PRO 12 6.990 -6.514 5.761 +ATOM 22 CB PRO 12 6.412 -6.520 4.547 +ATOM 23 CA SER 13 6.578 -10.164 6.736 +ATOM 24 CB SER 13 7.143 -10.499 7.680 +ATOM 25 CA SER 14 3.174 -9.623 8.335 +ATOM 26 CB SER 14 2.534 -8.927 7.681 +ATOM 27 CA GLY 15 0.680 -12.476 8.624 +ATOM 28 CA ARG 16 -0.056 -12.667 4.901 +ATOM 29 CB ARG 16 1.342 -10.120 4.076 +ATOM 30 CA PRO 17 2.728 -13.508 2.455 +ATOM 31 CB PRO 17 1.748 -14.291 1.970 +ATOM 32 CA PRO 18 4.511 -10.656 0.687 +ATOM 33 CB PRO 18 5.159 -10.492 1.854 +ATOM 34 CA PRO 19 4.144 -10.604 -3.095 +ATOM 35 CB PRO 19 4.595 -9.352 -3.295 +ATOM 36 CA SER 20 7.829 -11.286 -3.723 +ATOM 37 CB SER 20 8.554 -10.551 -3.216 +TER +CONECT 1 3 2 +CONECT 3 5 4 +CONECT 5 7 6 +CONECT 7 9 8 +CONECT 9 11 10 +CONECT 11 13 12 +CONECT 13 15 14 +CONECT 15 17 16 +CONECT 17 19 18 +CONECT 19 20 +CONECT 20 21 +CONECT 21 23 22 +CONECT 23 25 24 +CONECT 25 27 26 +CONECT 27 28 +CONECT 28 30 29 +CONECT 30 32 31 +CONECT 32 34 33 +CONECT 34 35 +CONECT 36 37 diff --git a/examples/unres/CSA/GAB/CSA/global/unrestrained/CLUSTER/1l2y_csa_GB0000004_013.pdb b/examples/unres/CSA/GAB/CSA/global/unrestrained/CLUSTER/1l2y_csa_GB0000004_013.pdb new file mode 100644 index 0000000..a0c53e3 --- /dev/null +++ b/examples/unres/CSA/GAB/CSA/global/unrestrained/CLUSTER/1l2y_csa_GB0000004_013.pdb @@ -0,0 +1,59 @@ +REMARK 1l2y ENERGY -8.62100E+01 +ATOM 1 CA ASN 1 3.800 0.000 0.000 +ATOM 2 CB ASN 1 5.464 0.254 0.064 +ATOM 3 CA LEU 2 4.065 -3.791 0.000 +ATOM 4 CB LEU 2 3.904 -5.719 -0.118 +ATOM 5 CA TYR 3 6.260 -3.734 -3.102 +ATOM 6 CB TYR 3 5.463 -5.583 -4.557 +ATOM 7 CA ILE 4 9.364 -3.611 -0.914 +ATOM 8 CB ILE 4 10.162 -2.132 -0.340 +ATOM 9 CA GLN 5 8.063 -6.582 1.067 +ATOM 10 CB GLN 5 7.333 -5.198 2.670 +ATOM 11 CA TRP 6 6.993 -8.251 -2.175 +ATOM 12 CB TRP 6 6.826 -9.894 -4.190 +ATOM 13 CA LEU 7 10.428 -7.615 -3.669 +ATOM 14 CB LEU 7 10.120 -6.047 -4.766 +ATOM 15 CA LYS 8 12.074 -8.858 -0.477 +ATOM 16 CB LYS 8 12.548 -6.629 0.647 +ATOM 17 CA ASP 9 10.008 -12.045 -0.593 +ATOM 18 CB ASP 9 8.349 -11.640 -0.533 +ATOM 19 CA GLY 10 10.604 -12.486 -4.320 +ATOM 20 CA GLY 11 7.602 -14.746 -4.880 +ATOM 21 CA PRO 12 4.060 -13.384 -4.679 +ATOM 22 CB PRO 12 3.921 -14.166 -5.765 +ATOM 23 CA SER 13 2.817 -12.544 -1.188 +ATOM 24 CB SER 13 3.570 -11.902 -0.601 +ATOM 25 CA SER 14 0.796 -9.536 -2.332 +ATOM 26 CB SER 14 1.507 -8.965 -3.033 +ATOM 27 CA GLY 15 -2.460 -8.796 -4.147 +ATOM 28 CA ARG 16 -0.775 -7.302 -7.208 +ATOM 29 CB ARG 16 0.930 -5.658 -5.334 +ATOM 30 CA PRO 17 1.105 -9.243 -9.880 +ATOM 31 CB PRO 17 0.728 -8.145 -10.558 +ATOM 32 CA PRO 18 4.436 -10.761 -8.862 +ATOM 33 CB PRO 18 4.049 -11.839 -9.568 +ATOM 34 CA PRO 19 7.729 -9.329 -10.104 +ATOM 35 CB PRO 19 7.714 -8.732 -8.898 +ATOM 36 CA SER 20 9.357 -12.759 -10.257 +ATOM 37 CB SER 20 9.032 -13.331 -9.314 +TER +CONECT 1 3 2 +CONECT 3 5 4 +CONECT 5 7 6 +CONECT 7 9 8 +CONECT 9 11 10 +CONECT 11 13 12 +CONECT 13 15 14 +CONECT 15 17 16 +CONECT 17 19 18 +CONECT 19 20 +CONECT 20 21 +CONECT 21 23 22 +CONECT 23 25 24 +CONECT 25 27 26 +CONECT 27 28 +CONECT 28 30 29 +CONECT 30 32 31 +CONECT 32 34 33 +CONECT 34 35 +CONECT 36 37 diff --git a/examples/unres/CSA/GAB/CSA/global/unrestrained/CLUSTER/1l2y_csa_GB0000004_014.pdb b/examples/unres/CSA/GAB/CSA/global/unrestrained/CLUSTER/1l2y_csa_GB0000004_014.pdb new file mode 100644 index 0000000..86412bf --- /dev/null +++ b/examples/unres/CSA/GAB/CSA/global/unrestrained/CLUSTER/1l2y_csa_GB0000004_014.pdb @@ -0,0 +1,59 @@ +REMARK 1l2y ENERGY -8.61500E+01 +ATOM 1 CA ASN 1 3.800 0.000 0.000 +ATOM 2 CB ASN 1 5.324 0.593 0.401 +ATOM 3 CA LEU 2 4.046 -3.792 0.000 +ATOM 4 CB LEU 2 3.525 -5.593 0.497 +ATOM 5 CA TYR 3 4.114 -3.984 -3.795 +ATOM 6 CB TYR 3 5.102 -1.720 -3.534 +ATOM 7 CA ILE 4 6.778 -5.713 -5.881 +ATOM 8 CB ILE 4 6.268 -7.060 -6.920 +ATOM 9 CA GLN 5 8.481 -2.404 -6.650 +ATOM 10 CB GLN 5 7.530 -0.376 -6.716 +ATOM 11 CA TRP 6 9.103 -1.865 -2.941 +ATOM 12 CB TRP 6 8.071 -2.336 -0.596 +ATOM 13 CA LEU 7 10.150 -5.499 -2.570 +ATOM 14 CB LEU 7 8.764 -6.534 -1.694 +ATOM 15 CA LYS 8 12.563 -5.127 -5.482 +ATOM 16 CB LYS 8 11.776 -3.066 -6.744 +ATOM 17 CA ASP 9 14.111 -2.054 -3.871 +ATOM 18 CB ASP 9 12.856 -0.951 -3.510 +ATOM 19 CA GLY 10 14.225 -3.697 -0.447 +ATOM 20 CA GLY 11 11.675 -1.345 1.105 +ATOM 21 CA PRO 12 9.496 -1.927 4.163 +ATOM 22 CB PRO 12 9.163 -0.649 3.908 +ATOM 23 CA SER 13 8.064 -5.443 4.323 +ATOM 24 CB SER 13 8.531 -5.652 3.294 +ATOM 25 CA SER 14 5.798 -4.726 7.288 +ATOM 26 CB SER 14 6.186 -3.791 6.743 +ATOM 27 CA GLY 15 3.283 -7.083 8.889 +ATOM 28 CA ARG 16 1.558 -8.110 5.663 +ATOM 29 CB ARG 16 2.902 -5.541 4.817 +ATOM 30 CA PRO 17 2.575 -10.953 3.356 +ATOM 31 CB PRO 17 1.238 -10.993 3.217 +ATOM 32 CA PRO 18 5.146 -10.349 0.623 +ATOM 33 CB PRO 18 5.772 -11.366 1.241 +ATOM 34 CA PRO 19 3.903 -10.421 -2.968 +ATOM 35 CB PRO 19 4.192 -9.109 -3.036 +ATOM 36 CA SER 20 7.175 -11.790 -4.332 +ATOM 37 CB SER 20 7.637 -10.738 -4.386 +TER +CONECT 1 3 2 +CONECT 3 5 4 +CONECT 5 7 6 +CONECT 7 9 8 +CONECT 9 11 10 +CONECT 11 13 12 +CONECT 13 15 14 +CONECT 15 17 16 +CONECT 17 19 18 +CONECT 19 20 +CONECT 20 21 +CONECT 21 23 22 +CONECT 23 25 24 +CONECT 25 27 26 +CONECT 27 28 +CONECT 28 30 29 +CONECT 30 32 31 +CONECT 32 34 33 +CONECT 34 35 +CONECT 36 37 diff --git a/examples/unres/CSA/GAB/CSA/global/unrestrained/CLUSTER/1l2y_csa_GB0000004_015.pdb b/examples/unres/CSA/GAB/CSA/global/unrestrained/CLUSTER/1l2y_csa_GB0000004_015.pdb new file mode 100644 index 0000000..1e85b71 --- /dev/null +++ b/examples/unres/CSA/GAB/CSA/global/unrestrained/CLUSTER/1l2y_csa_GB0000004_015.pdb @@ -0,0 +1,59 @@ +REMARK 1l2y ENERGY -8.60100E+01 +ATOM 1 CA ASN 1 3.800 0.000 0.000 +ATOM 2 CB ASN 1 5.430 0.396 0.155 +ATOM 3 CA LEU 2 4.058 -3.791 0.000 +ATOM 4 CB LEU 2 3.939 -5.697 -0.335 +ATOM 5 CA TYR 3 6.053 -3.744 -3.234 +ATOM 6 CB TYR 3 5.738 -1.306 -3.589 +ATOM 7 CA ILE 4 9.279 -3.277 -1.281 +ATOM 8 CB ILE 4 10.045 -1.715 -0.923 +ATOM 9 CA GLN 5 8.294 -6.165 0.984 +ATOM 10 CB GLN 5 7.355 -4.736 2.431 +ATOM 11 CA TRP 6 7.189 -8.155 -2.058 +ATOM 12 CB TRP 6 7.373 -10.582 -2.988 +ATOM 13 CA LEU 7 10.425 -7.304 -3.857 +ATOM 14 CB LEU 7 9.342 -6.153 -4.981 +ATOM 15 CA LYS 8 12.427 -8.479 -0.849 +ATOM 16 CB LYS 8 12.968 -6.125 -0.061 +ATOM 17 CA ASP 9 10.260 -11.579 -0.483 +ATOM 18 CB ASP 9 8.945 -11.208 0.543 +ATOM 19 CA GLY 10 11.216 -12.902 -3.915 +ATOM 20 CA GLY 11 9.711 -16.348 -3.365 +ATOM 21 CA PRO 12 6.650 -17.122 -5.479 +ATOM 22 CB PRO 12 6.741 -18.382 -5.017 +ATOM 23 CA SER 13 5.301 -13.647 -6.217 +ATOM 24 CB SER 13 5.382 -12.586 -6.653 +ATOM 25 CA SER 14 2.458 -14.874 -8.419 +ATOM 26 CB SER 14 2.137 -15.966 -8.254 +ATOM 27 CA GLY 15 -0.250 -13.184 -6.356 +ATOM 28 CA ARG 16 2.021 -10.586 -4.766 +ATOM 29 CB ARG 16 3.645 -11.269 -2.312 +ATOM 30 CA PRO 17 3.764 -8.003 -6.942 +ATOM 31 CB PRO 17 4.283 -7.603 -5.767 +ATOM 32 CA PRO 18 6.189 -9.317 -9.556 +ATOM 33 CB PRO 18 5.527 -8.461 -10.355 +ATOM 34 CA PRO 19 9.918 -8.962 -8.920 +ATOM 35 CB PRO 19 9.711 -9.716 -7.825 +ATOM 36 CA SER 20 10.692 -8.058 -12.529 +ATOM 37 CB SER 20 9.898 -8.411 -13.283 +TER +CONECT 1 3 2 +CONECT 3 5 4 +CONECT 5 7 6 +CONECT 7 9 8 +CONECT 9 11 10 +CONECT 11 13 12 +CONECT 13 15 14 +CONECT 15 17 16 +CONECT 17 19 18 +CONECT 19 20 +CONECT 20 21 +CONECT 21 23 22 +CONECT 23 25 24 +CONECT 25 27 26 +CONECT 27 28 +CONECT 28 30 29 +CONECT 30 32 31 +CONECT 32 34 33 +CONECT 34 35 +CONECT 36 37 diff --git a/examples/unres/CSA/GAB/CSA/global/unrestrained/CLUSTER/1l2y_csa_GB0000004_016.pdb b/examples/unres/CSA/GAB/CSA/global/unrestrained/CLUSTER/1l2y_csa_GB0000004_016.pdb new file mode 100644 index 0000000..f8c5f91 --- /dev/null +++ b/examples/unres/CSA/GAB/CSA/global/unrestrained/CLUSTER/1l2y_csa_GB0000004_016.pdb @@ -0,0 +1,59 @@ +REMARK 1l2y ENERGY -8.58700E+01 +ATOM 1 CA ASN 1 3.800 0.000 0.000 +ATOM 2 CB ASN 1 5.417 0.397 0.251 +ATOM 3 CA LEU 2 4.056 -3.791 0.000 +ATOM 4 CB LEU 2 3.432 -5.626 0.072 +ATOM 5 CA TYR 3 5.547 -3.885 -3.494 +ATOM 6 CB TYR 3 6.517 -1.607 -3.291 +ATOM 7 CA ILE 4 9.016 -5.251 -4.229 +ATOM 8 CB ILE 4 8.989 -6.531 -5.460 +ATOM 9 CA GLN 5 10.516 -1.795 -3.735 +ATOM 10 CB GLN 5 10.008 -0.868 -5.710 +ATOM 11 CA TRP 6 9.221 -1.773 -0.162 +ATOM 12 CB TRP 6 9.068 -2.027 2.426 +ATOM 13 CA LEU 7 10.288 -5.402 0.202 +ATOM 14 CB LEU 7 8.783 -6.618 0.077 +ATOM 15 CA LYS 8 13.886 -4.387 -0.479 +ATOM 16 CB LYS 8 13.721 -5.544 -2.736 +ATOM 17 CA ASP 9 13.469 -1.197 1.543 +ATOM 18 CB ASP 9 12.571 -0.114 0.572 +ATOM 19 CA GLY 10 12.844 -3.176 4.726 +ATOM 20 CA GLY 11 10.075 -5.777 4.628 +ATOM 21 CA PRO 12 6.453 -4.845 5.299 +ATOM 22 CB PRO 12 6.193 -5.805 4.393 +ATOM 23 CA SER 13 6.217 -3.330 8.776 +ATOM 24 CB SER 13 6.633 -2.262 8.865 +ATOM 25 CA SER 14 2.522 -2.502 8.456 +ATOM 26 CB SER 14 2.098 -2.278 7.411 +ATOM 27 CA GLY 15 1.450 -6.125 8.863 +ATOM 28 CA ARG 16 1.264 -6.810 5.129 +ATOM 29 CB ARG 16 2.619 -4.298 4.143 +ATOM 30 CA PRO 17 1.712 -10.019 3.144 +ATOM 31 CB PRO 17 0.477 -9.659 2.749 +ATOM 32 CA PRO 18 4.840 -10.378 1.017 +ATOM 33 CB PRO 18 5.039 -11.431 1.830 +ATOM 34 CA PRO 19 4.513 -10.452 -2.768 +ATOM 35 CB PRO 19 5.014 -9.234 -3.037 +ATOM 36 CA SER 20 8.108 -11.554 -3.314 +ATOM 37 CB SER 20 8.843 -10.693 -3.112 +TER +CONECT 1 3 2 +CONECT 3 5 4 +CONECT 5 7 6 +CONECT 7 9 8 +CONECT 9 11 10 +CONECT 11 13 12 +CONECT 13 15 14 +CONECT 15 17 16 +CONECT 17 19 18 +CONECT 19 20 +CONECT 20 21 +CONECT 21 23 22 +CONECT 23 25 24 +CONECT 25 27 26 +CONECT 27 28 +CONECT 28 30 29 +CONECT 30 32 31 +CONECT 32 34 33 +CONECT 34 35 +CONECT 36 37 diff --git a/examples/unres/CSA/GAB/CSA/global/unrestrained/CLUSTER/1l2y_csa_GB0000004_017.pdb b/examples/unres/CSA/GAB/CSA/global/unrestrained/CLUSTER/1l2y_csa_GB0000004_017.pdb new file mode 100644 index 0000000..12562b9 --- /dev/null +++ b/examples/unres/CSA/GAB/CSA/global/unrestrained/CLUSTER/1l2y_csa_GB0000004_017.pdb @@ -0,0 +1,59 @@ +REMARK 1l2y ENERGY -8.56000E+01 +ATOM 1 CA ASN 1 3.800 0.000 0.000 +ATOM 2 CB ASN 1 5.390 0.487 0.266 +ATOM 3 CA LEU 2 4.052 -3.792 0.000 +ATOM 4 CB LEU 2 3.559 -5.664 0.097 +ATOM 5 CA TYR 3 5.165 -3.924 -3.631 +ATOM 6 CB TYR 3 6.359 -1.775 -3.273 +ATOM 7 CA ILE 4 8.213 -5.821 -4.877 +ATOM 8 CB ILE 4 7.891 -7.055 -6.113 +ATOM 9 CA GLN 5 10.348 -2.679 -4.758 +ATOM 10 CB GLN 5 9.439 -1.012 -5.946 +ATOM 11 CA TRP 6 9.428 -2.198 -1.103 +ATOM 12 CB TRP 6 7.914 -2.667 0.965 +ATOM 13 CA LEU 7 9.872 -5.915 -0.451 +ATOM 14 CB LEU 7 8.405 -7.182 -0.495 +ATOM 15 CA LYS 8 13.581 -5.619 -1.226 +ATOM 16 CB LYS 8 13.270 -3.809 -2.982 +ATOM 17 CA ASP 9 13.805 -2.255 0.527 +ATOM 18 CB ASP 9 12.906 -1.062 -0.303 +ATOM 19 CA GLY 10 13.757 -3.843 3.979 +ATOM 20 CA GLY 11 10.068 -4.754 3.956 +ATOM 21 CA PRO 12 7.398 -6.479 6.038 +ATOM 22 CB PRO 12 6.837 -6.579 4.819 +ATOM 23 CA SER 13 8.272 -9.320 8.405 +ATOM 24 CB SER 13 9.382 -9.090 8.599 +ATOM 25 CA SER 14 4.978 -9.075 10.283 +ATOM 26 CB SER 14 4.288 -8.233 9.912 +ATOM 27 CA GLY 15 3.358 -11.875 8.287 +ATOM 28 CA ARG 16 2.042 -9.586 5.554 +ATOM 29 CB ARG 16 2.669 -6.773 4.654 +ATOM 30 CA PRO 17 1.086 -10.678 2.042 +ATOM 31 CB PRO 17 0.295 -9.599 2.184 +ATOM 32 CA PRO 18 3.933 -11.170 -0.426 +ATOM 33 CB PRO 18 3.817 -12.479 -0.143 +ATOM 34 CA PRO 19 3.851 -10.425 -4.151 +ATOM 35 CB PRO 19 4.302 -9.203 -3.815 +ATOM 36 CA SER 20 7.223 -12.058 -4.787 +ATOM 37 CB SER 20 7.784 -11.208 -4.253 +TER +CONECT 1 3 2 +CONECT 3 5 4 +CONECT 5 7 6 +CONECT 7 9 8 +CONECT 9 11 10 +CONECT 11 13 12 +CONECT 13 15 14 +CONECT 15 17 16 +CONECT 17 19 18 +CONECT 19 20 +CONECT 20 21 +CONECT 21 23 22 +CONECT 23 25 24 +CONECT 25 27 26 +CONECT 27 28 +CONECT 28 30 29 +CONECT 30 32 31 +CONECT 32 34 33 +CONECT 34 35 +CONECT 36 37 diff --git a/examples/unres/CSA/GAB/CSA/global/unrestrained/CLUSTER/1l2y_csa_GB0000004_018.pdb b/examples/unres/CSA/GAB/CSA/global/unrestrained/CLUSTER/1l2y_csa_GB0000004_018.pdb new file mode 100644 index 0000000..f3b64df --- /dev/null +++ b/examples/unres/CSA/GAB/CSA/global/unrestrained/CLUSTER/1l2y_csa_GB0000004_018.pdb @@ -0,0 +1,59 @@ +REMARK 1l2y ENERGY -8.55900E+01 +ATOM 1 CA ASN 1 3.800 0.000 0.000 +ATOM 2 CB ASN 1 5.441 0.344 0.155 +ATOM 3 CA LEU 2 4.060 -3.791 0.000 +ATOM 4 CB LEU 2 3.729 -5.684 -0.261 +ATOM 5 CA TYR 3 5.982 -3.762 -3.278 +ATOM 6 CB TYR 3 5.111 -5.633 -4.660 +ATOM 7 CA ILE 4 9.282 -3.100 -1.512 +ATOM 8 CB ILE 4 9.990 -1.480 -1.347 +ATOM 9 CA GLN 5 8.374 -5.503 1.289 +ATOM 10 CB GLN 5 7.311 -3.819 2.314 +ATOM 11 CA TRP 6 7.249 -8.092 -1.255 +ATOM 12 CB TRP 6 6.289 -9.529 -3.205 +ATOM 13 CA LEU 7 10.420 -7.683 -3.308 +ATOM 14 CB LEU 7 9.768 -6.538 -4.731 +ATOM 15 CA LYS 8 12.518 -9.220 -0.537 +ATOM 16 CB LYS 8 10.896 -8.289 1.183 +ATOM 17 CA ASP 9 13.777 -12.165 -2.581 +ATOM 18 CB ASP 9 14.454 -13.300 -1.497 +ATOM 19 CA GLY 10 11.791 -15.031 -4.093 +ATOM 20 CA GLY 11 10.446 -16.345 -0.791 +ATOM 21 CA PRO 12 8.222 -13.307 -0.277 +ATOM 22 CB PRO 12 8.874 -12.258 -0.810 +ATOM 23 CA SER 13 7.247 -13.445 -3.947 +ATOM 24 CB SER 13 8.069 -13.522 -4.748 +ATOM 25 CA SER 14 6.359 -17.119 -3.554 +ATOM 26 CB SER 14 6.979 -17.655 -2.748 +ATOM 27 CA GLY 15 3.281 -16.403 -1.445 +ATOM 28 CA ARG 16 2.821 -12.790 -2.530 +ATOM 29 CB ARG 16 4.524 -11.458 -0.421 +ATOM 30 CA PRO 17 1.580 -10.932 -5.604 +ATOM 31 CB PRO 17 1.693 -9.935 -4.708 +ATOM 32 CA PRO 18 3.631 -11.298 -8.781 +ATOM 33 CB PRO 18 2.435 -11.581 -9.326 +ATOM 34 CA PRO 19 5.880 -8.447 -9.903 +ATOM 35 CB PRO 19 6.522 -8.606 -8.731 +ATOM 36 CA SER 20 5.003 -8.882 -13.574 +ATOM 37 CB SER 20 4.608 -9.928 -13.842 +TER +CONECT 1 3 2 +CONECT 3 5 4 +CONECT 5 7 6 +CONECT 7 9 8 +CONECT 9 11 10 +CONECT 11 13 12 +CONECT 13 15 14 +CONECT 15 17 16 +CONECT 17 19 18 +CONECT 19 20 +CONECT 20 21 +CONECT 21 23 22 +CONECT 23 25 24 +CONECT 25 27 26 +CONECT 27 28 +CONECT 28 30 29 +CONECT 30 32 31 +CONECT 32 34 33 +CONECT 34 35 +CONECT 36 37 diff --git a/examples/unres/CSA/GAB/CSA/global/unrestrained/CLUSTER/1l2y_csa_GB0000004_019.pdb b/examples/unres/CSA/GAB/CSA/global/unrestrained/CLUSTER/1l2y_csa_GB0000004_019.pdb new file mode 100644 index 0000000..5936369 --- /dev/null +++ b/examples/unres/CSA/GAB/CSA/global/unrestrained/CLUSTER/1l2y_csa_GB0000004_019.pdb @@ -0,0 +1,59 @@ +REMARK 1l2y ENERGY -8.55200E+01 +ATOM 1 CA ASN 1 3.800 0.000 0.000 +ATOM 2 CB ASN 1 5.434 0.395 0.098 +ATOM 3 CA LEU 2 4.059 -3.791 0.000 +ATOM 4 CB LEU 2 3.861 -5.672 -0.428 +ATOM 5 CA TYR 3 6.214 -3.732 -3.130 +ATOM 6 CB TYR 3 6.156 -1.290 -3.583 +ATOM 7 CA ILE 4 9.352 -3.226 -1.047 +ATOM 8 CB ILE 4 10.137 -1.649 -0.819 +ATOM 9 CA GLN 5 8.344 -6.028 1.313 +ATOM 10 CB GLN 5 7.139 -4.699 2.655 +ATOM 11 CA TRP 6 7.175 -8.138 -1.623 +ATOM 12 CB TRP 6 6.885 -10.643 -0.969 +ATOM 13 CA LEU 7 10.274 -7.234 -3.629 +ATOM 14 CB LEU 7 9.563 -5.791 -4.711 +ATOM 15 CA LYS 8 12.482 -8.293 -0.723 +ATOM 16 CB LYS 8 12.271 -6.217 0.726 +ATOM 17 CA ASP 9 11.422 -11.912 -1.188 +ATOM 18 CB ASP 9 10.544 -12.462 0.171 +ATOM 19 CA GLY 10 10.810 -11.482 -4.914 +ATOM 20 CA GLY 11 7.059 -12.017 -4.633 +ATOM 21 CA PRO 12 5.195 -9.346 -6.591 +ATOM 22 CB PRO 12 5.305 -8.476 -5.572 +ATOM 23 CA SER 13 8.383 -7.835 -8.002 +ATOM 24 CB SER 13 9.277 -8.549 -7.888 +ATOM 25 CA SER 14 7.519 -8.908 -11.543 +ATOM 26 CB SER 14 6.662 -9.672 -11.615 +ATOM 27 CA GLY 15 5.500 -5.790 -12.343 +ATOM 28 CA ARG 16 6.644 -3.611 -9.447 +ATOM 29 CB ARG 16 5.074 -4.223 -6.940 +ATOM 30 CA PRO 17 9.759 -1.523 -8.839 +ATOM 31 CB PRO 17 8.906 -0.849 -8.047 +ATOM 32 CA PRO 18 12.835 -3.133 -7.294 +ATOM 33 CB PRO 18 13.416 -2.696 -8.426 +ATOM 34 CA PRO 19 13.949 -2.037 -3.831 +ATOM 35 CB PRO 19 13.535 -3.212 -3.323 +ATOM 36 CA SER 20 17.640 -2.248 -4.708 +ATOM 37 CB SER 20 17.885 -3.025 -5.520 +TER +CONECT 1 3 2 +CONECT 3 5 4 +CONECT 5 7 6 +CONECT 7 9 8 +CONECT 9 11 10 +CONECT 11 13 12 +CONECT 13 15 14 +CONECT 15 17 16 +CONECT 17 19 18 +CONECT 19 20 +CONECT 20 21 +CONECT 21 23 22 +CONECT 23 25 24 +CONECT 25 27 26 +CONECT 27 28 +CONECT 28 30 29 +CONECT 30 32 31 +CONECT 32 34 33 +CONECT 34 35 +CONECT 36 37 diff --git a/examples/unres/CSA/GAB/CSA/global/unrestrained/CLUSTER/1l2y_csa_GB0000004_020.pdb b/examples/unres/CSA/GAB/CSA/global/unrestrained/CLUSTER/1l2y_csa_GB0000004_020.pdb new file mode 100644 index 0000000..e816d94 --- /dev/null +++ b/examples/unres/CSA/GAB/CSA/global/unrestrained/CLUSTER/1l2y_csa_GB0000004_020.pdb @@ -0,0 +1,59 @@ +REMARK 1l2y ENERGY -8.52900E+01 +ATOM 1 CA ASN 1 3.800 0.000 0.000 +ATOM 2 CB ASN 1 4.363 0.234 1.570 +ATOM 3 CA LEU 2 4.046 -3.792 0.000 +ATOM 4 CB LEU 2 4.058 -5.626 0.630 +ATOM 5 CA TYR 3 1.454 -4.151 -2.755 +ATOM 6 CB TYR 3 1.713 -2.544 -4.631 +ATOM 7 CA ILE 4 2.313 -7.828 -3.187 +ATOM 8 CB ILE 4 3.977 -8.342 -3.533 +ATOM 9 CA GLN 5 -0.090 -8.692 -0.373 +ATOM 10 CB GLN 5 -0.027 -7.267 1.354 +ATOM 11 CA TRP 6 -2.815 -6.743 -2.165 +ATOM 12 CB TRP 6 -5.302 -6.683 -2.938 +ATOM 13 CA LEU 7 -1.868 -8.418 -5.442 +ATOM 14 CB LEU 7 -1.082 -6.789 -6.140 +ATOM 15 CA LYS 8 -2.303 -11.838 -3.844 +ATOM 16 CB LYS 8 0.208 -12.222 -3.798 +ATOM 17 CA ASP 9 -5.382 -10.714 -1.920 +ATOM 18 CB ASP 9 -4.796 -9.937 -0.515 +ATOM 19 CA GLY 10 -7.307 -10.066 -5.132 +ATOM 20 CA GLY 11 -5.977 -7.224 -7.276 +ATOM 21 CA PRO 12 -5.743 -3.785 -5.677 +ATOM 22 CB PRO 12 -4.745 -3.618 -6.563 +ATOM 23 CA SER 13 -9.119 -2.739 -4.279 +ATOM 24 CB SER 13 -9.521 -3.400 -3.429 +ATOM 25 CA SER 14 -7.635 0.047 -2.163 +ATOM 26 CB SER 14 -6.531 -0.132 -1.895 +ATOM 27 CA GLY 15 -6.916 2.280 -5.153 +ATOM 28 CA ARG 16 -3.246 1.308 -5.325 +ATOM 29 CB ARG 16 -2.381 -1.425 -4.374 +ATOM 30 CA PRO 17 -0.901 1.012 -8.300 +ATOM 31 CB PRO 17 -0.349 2.042 -7.635 +ATOM 32 CA PRO 18 0.293 -2.458 -9.288 +ATOM 33 CB PRO 18 -0.233 -2.114 -10.477 +ATOM 34 CA PRO 19 3.921 -3.454 -8.756 +ATOM 35 CB PRO 19 3.662 -4.402 -7.838 +ATOM 36 CA SER 20 4.085 -5.444 -11.989 +ATOM 37 CB SER 20 3.090 -5.946 -12.273 +TER +CONECT 1 3 2 +CONECT 3 5 4 +CONECT 5 7 6 +CONECT 7 9 8 +CONECT 9 11 10 +CONECT 11 13 12 +CONECT 13 15 14 +CONECT 15 17 16 +CONECT 17 19 18 +CONECT 19 20 +CONECT 20 21 +CONECT 21 23 22 +CONECT 23 25 24 +CONECT 25 27 26 +CONECT 27 28 +CONECT 28 30 29 +CONECT 30 32 31 +CONECT 32 34 33 +CONECT 34 35 +CONECT 36 37 diff --git a/examples/unres/CSA/GAB/CSA/global/unrestrained/CLUSTER/1l2y_csa_GB0000004_021.pdb b/examples/unres/CSA/GAB/CSA/global/unrestrained/CLUSTER/1l2y_csa_GB0000004_021.pdb new file mode 100644 index 0000000..8d18c29 --- /dev/null +++ b/examples/unres/CSA/GAB/CSA/global/unrestrained/CLUSTER/1l2y_csa_GB0000004_021.pdb @@ -0,0 +1,59 @@ +REMARK 1l2y ENERGY -8.50400E+01 +ATOM 1 CA ASN 1 3.800 0.000 0.000 +ATOM 2 CB ASN 1 5.417 0.427 0.196 +ATOM 3 CA LEU 2 4.055 -3.791 0.000 +ATOM 4 CB LEU 2 3.521 -5.655 -0.046 +ATOM 5 CA TYR 3 5.405 -3.808 -3.552 +ATOM 6 CB TYR 3 4.285 -2.421 -5.282 +ATOM 7 CA ILE 4 8.906 -2.976 -2.332 +ATOM 8 CB ILE 4 9.427 -1.283 -2.194 +ATOM 9 CA GLN 5 8.644 -5.552 0.450 +ATOM 10 CB GLN 5 7.654 -3.999 1.725 +ATOM 11 CA TRP 6 7.274 -8.119 -1.994 +ATOM 12 CB TRP 6 5.447 -7.453 -3.726 +ATOM 13 CA LEU 7 9.887 -7.165 -4.583 +ATOM 14 CB LEU 7 8.984 -6.080 -5.912 +ATOM 15 CA LYS 8 12.644 -7.602 -2.004 +ATOM 16 CB LYS 8 11.337 -7.588 0.175 +ATOM 17 CA ASP 9 11.850 -11.310 -1.756 +ATOM 18 CB ASP 9 10.302 -11.221 -1.037 +ATOM 19 CA GLY 10 10.454 -11.536 -5.283 +ATOM 20 CA GLY 11 6.885 -12.078 -4.096 +ATOM 21 CA PRO 12 3.184 -11.834 -4.921 +ATOM 22 CB PRO 12 2.854 -10.928 -3.984 +ATOM 23 CA SER 13 2.226 -8.961 -7.216 +ATOM 24 CB SER 13 1.863 -9.260 -8.266 +ATOM 25 CA SER 14 -1.045 -7.435 -6.029 +ATOM 26 CB SER 14 -0.293 -7.516 -5.163 +ATOM 27 CA GLY 15 -3.631 -5.216 -7.711 +ATOM 28 CA ARG 16 -1.375 -2.186 -8.126 +ATOM 29 CB ARG 16 0.332 -3.550 -6.042 +ATOM 30 CA PRO 17 1.571 -2.283 -10.525 +ATOM 31 CB PRO 17 1.039 -1.081 -10.811 +ATOM 32 CA PRO 18 4.933 -3.421 -9.170 +ATOM 33 CB PRO 18 4.498 -4.694 -9.183 +ATOM 34 CA PRO 19 7.586 -0.707 -8.990 +ATOM 35 CB PRO 19 7.724 -0.976 -7.679 +ATOM 36 CA SER 20 10.260 -2.853 -10.628 +ATOM 37 CB SER 20 10.362 -3.934 -10.250 +TER +CONECT 1 3 2 +CONECT 3 5 4 +CONECT 5 7 6 +CONECT 7 9 8 +CONECT 9 11 10 +CONECT 11 13 12 +CONECT 13 15 14 +CONECT 15 17 16 +CONECT 17 19 18 +CONECT 19 20 +CONECT 20 21 +CONECT 21 23 22 +CONECT 23 25 24 +CONECT 25 27 26 +CONECT 27 28 +CONECT 28 30 29 +CONECT 30 32 31 +CONECT 32 34 33 +CONECT 34 35 +CONECT 36 37 diff --git a/examples/unres/CSA/GAB/CSA/global/unrestrained/CLUSTER/1l2y_csa_GB0000004_022.pdb b/examples/unres/CSA/GAB/CSA/global/unrestrained/CLUSTER/1l2y_csa_GB0000004_022.pdb new file mode 100644 index 0000000..d651e96 --- /dev/null +++ b/examples/unres/CSA/GAB/CSA/global/unrestrained/CLUSTER/1l2y_csa_GB0000004_022.pdb @@ -0,0 +1,59 @@ +REMARK 1l2y ENERGY -8.46800E+01 +ATOM 1 CA ASN 1 3.800 0.000 0.000 +ATOM 2 CB ASN 1 5.425 0.247 0.366 +ATOM 3 CA LEU 2 4.060 -3.791 0.000 +ATOM 4 CB LEU 2 3.649 -5.578 0.631 +ATOM 5 CA TYR 3 4.327 -3.985 -3.786 +ATOM 6 CB TYR 3 4.961 -1.598 -3.522 +ATOM 7 CA ILE 4 7.156 -4.986 -6.117 +ATOM 8 CB ILE 4 6.848 -6.449 -7.075 +ATOM 9 CA GLN 5 8.046 -1.344 -6.734 +ATOM 10 CB GLN 5 7.670 0.810 -6.246 +ATOM 11 CA TRP 6 8.723 -0.931 -3.018 +ATOM 12 CB TRP 6 9.180 1.422 -1.998 +ATOM 13 CA LEU 7 10.475 -4.303 -3.035 +ATOM 14 CB LEU 7 10.519 -6.235 -3.202 +ATOM 15 CA LYS 8 12.834 -3.007 -5.717 +ATOM 16 CB LYS 8 11.582 -4.196 -7.581 +ATOM 17 CA ASP 9 13.564 0.029 -3.551 +ATOM 18 CB ASP 9 12.667 1.398 -4.043 +ATOM 19 CA GLY 10 13.729 -2.139 -0.435 +ATOM 20 CA GLY 11 10.849 -0.406 1.338 +ATOM 21 CA PRO 12 8.810 -3.581 1.782 +ATOM 22 CB PRO 12 8.292 -3.464 0.547 +ATOM 23 CA SER 13 11.985 -5.508 2.586 +ATOM 24 CB SER 13 11.686 -6.072 1.629 +ATOM 25 CA SER 14 12.730 -2.994 5.336 +ATOM 26 CB SER 14 12.007 -2.102 5.263 +ATOM 27 CA GLY 15 10.960 -5.022 8.018 +ATOM 28 CA ARG 16 7.961 -6.122 5.960 +ATOM 29 CB ARG 16 6.326 -4.095 4.430 +ATOM 30 CA PRO 17 7.593 -9.153 3.698 +ATOM 31 CB PRO 17 6.297 -8.964 4.005 +ATOM 32 CA PRO 18 8.738 -9.044 0.076 +ATOM 33 CB PRO 18 9.428 -10.142 0.435 +ATOM 34 CA PRO 19 6.113 -9.190 -2.667 +ATOM 35 CB PRO 19 6.221 -7.852 -2.586 +ATOM 36 CA SER 20 6.784 -11.169 -5.841 +ATOM 37 CB SER 20 5.870 -11.782 -6.176 +TER +CONECT 1 3 2 +CONECT 3 5 4 +CONECT 5 7 6 +CONECT 7 9 8 +CONECT 9 11 10 +CONECT 11 13 12 +CONECT 13 15 14 +CONECT 15 17 16 +CONECT 17 19 18 +CONECT 19 20 +CONECT 20 21 +CONECT 21 23 22 +CONECT 23 25 24 +CONECT 25 27 26 +CONECT 27 28 +CONECT 28 30 29 +CONECT 30 32 31 +CONECT 32 34 33 +CONECT 34 35 +CONECT 36 37 diff --git a/examples/unres/CSA/GAB/CSA/global/unrestrained/CLUSTER/1l2y_csa_GB0000004_023.pdb b/examples/unres/CSA/GAB/CSA/global/unrestrained/CLUSTER/1l2y_csa_GB0000004_023.pdb new file mode 100644 index 0000000..2a07059 --- /dev/null +++ b/examples/unres/CSA/GAB/CSA/global/unrestrained/CLUSTER/1l2y_csa_GB0000004_023.pdb @@ -0,0 +1,59 @@ +REMARK 1l2y ENERGY -8.44000E+01 +ATOM 1 CA ASN 1 3.800 0.000 0.000 +ATOM 2 CB ASN 1 5.457 0.231 -0.196 +ATOM 3 CA LEU 2 4.066 -3.791 0.000 +ATOM 4 CB LEU 2 3.444 -5.624 0.116 +ATOM 5 CA TYR 3 5.996 -3.798 -3.273 +ATOM 6 CB TYR 3 6.923 -1.580 -3.901 +ATOM 7 CA ILE 4 7.638 -7.121 -2.436 +ATOM 8 CB ILE 4 7.679 -7.732 -0.769 +ATOM 9 CA GLN 5 5.159 -8.968 -4.645 +ATOM 10 CB GLN 5 3.877 -9.752 -2.983 +ATOM 11 CA TRP 6 5.926 -6.506 -7.436 +ATOM 12 CB TRP 6 4.109 -6.101 -5.614 +ATOM 13 CA LEU 7 9.625 -7.098 -6.792 +ATOM 14 CB LEU 7 11.307 -6.934 -5.843 +ATOM 15 CA LYS 8 9.069 -10.810 -7.385 +ATOM 16 CB LYS 8 8.638 -11.266 -4.923 +ATOM 17 CA ASP 9 7.826 -9.981 -10.879 +ATOM 18 CB ASP 9 6.516 -8.892 -10.736 +ATOM 19 CA GLY 10 10.225 -7.047 -11.149 +ATOM 20 CA GLY 11 7.500 -4.426 -11.528 +ATOM 21 CA PRO 12 8.798 -2.180 -8.751 +ATOM 22 CB PRO 12 8.400 -3.024 -7.782 +ATOM 23 CA SER 13 12.385 -2.761 -9.860 +ATOM 24 CB SER 13 12.337 -3.852 -9.501 +ATOM 25 CA SER 14 11.646 -0.882 -13.079 +ATOM 26 CB SER 14 10.646 -1.358 -12.769 +ATOM 27 CA GLY 15 13.729 2.114 -12.016 +ATOM 28 CA ARG 16 11.855 2.789 -8.780 +ATOM 29 CB ARG 16 9.134 1.653 -8.127 +ATOM 30 CA PRO 17 12.236 1.569 -5.202 +ATOM 31 CB PRO 17 11.633 2.740 -4.932 +ATOM 32 CA PRO 18 10.815 -1.654 -3.777 +ATOM 33 CB PRO 18 11.545 -2.168 -4.783 +ATOM 34 CA PRO 19 10.497 -2.116 -0.018 +ATOM 35 CB PRO 19 9.300 -2.716 -0.143 +ATOM 36 CA SER 20 12.242 -5.492 -0.031 +ATOM 37 CB SER 20 11.859 -6.191 -0.859 +TER +CONECT 1 3 2 +CONECT 3 5 4 +CONECT 5 7 6 +CONECT 7 9 8 +CONECT 9 11 10 +CONECT 11 13 12 +CONECT 13 15 14 +CONECT 15 17 16 +CONECT 17 19 18 +CONECT 19 20 +CONECT 20 21 +CONECT 21 23 22 +CONECT 23 25 24 +CONECT 25 27 26 +CONECT 27 28 +CONECT 28 30 29 +CONECT 30 32 31 +CONECT 32 34 33 +CONECT 34 35 +CONECT 36 37 diff --git a/examples/unres/CSA/GAB/CSA/global/unrestrained/CLUSTER/1l2y_csa_GB0000004_024.pdb b/examples/unres/CSA/GAB/CSA/global/unrestrained/CLUSTER/1l2y_csa_GB0000004_024.pdb new file mode 100644 index 0000000..3342399 --- /dev/null +++ b/examples/unres/CSA/GAB/CSA/global/unrestrained/CLUSTER/1l2y_csa_GB0000004_024.pdb @@ -0,0 +1,59 @@ +REMARK 1l2y ENERGY -8.43600E+01 +ATOM 1 CA ASN 1 3.800 0.000 0.000 +ATOM 2 CB ASN 1 5.444 0.351 -0.097 +ATOM 3 CA LEU 2 4.060 -3.791 0.000 +ATOM 4 CB LEU 2 3.604 -5.673 -0.092 +ATOM 5 CA TYR 3 5.799 -3.827 -3.378 +ATOM 6 CB TYR 3 6.729 -1.536 -3.613 +ATOM 7 CA ILE 4 7.508 -7.116 -2.538 +ATOM 8 CB ILE 4 8.224 -7.298 -0.923 +ATOM 9 CA GLN 5 4.808 -9.066 -4.368 +ATOM 10 CB GLN 5 3.009 -7.735 -4.262 +ATOM 11 CA TRP 6 5.092 -6.685 -7.317 +ATOM 12 CB TRP 6 5.439 -4.105 -7.224 +ATOM 13 CA LEU 7 8.886 -6.739 -7.107 +ATOM 14 CB LEU 7 9.519 -5.237 -6.058 +ATOM 15 CA LYS 8 8.957 -10.205 -8.665 +ATOM 16 CB LYS 8 6.911 -10.916 -7.336 +ATOM 17 CA ASP 9 6.712 -9.048 -11.504 +ATOM 18 CB ASP 9 5.792 -7.726 -10.932 +ATOM 19 CA GLY 10 9.467 -6.918 -13.025 +ATOM 20 CA GLY 11 9.002 -3.966 -10.678 +ATOM 21 CA PRO 12 10.509 -0.659 -9.567 +ATOM 22 CB PRO 12 9.824 -0.694 -8.410 +ATOM 23 CA SER 13 13.895 0.479 -8.273 +ATOM 24 CB SER 13 14.792 0.279 -8.965 +ATOM 25 CA SER 14 13.271 4.079 -9.316 +ATOM 26 CB SER 14 12.475 3.545 -9.951 +ATOM 27 CA GLY 15 13.521 7.106 -7.031 +ATOM 28 CA ARG 16 10.517 6.174 -4.898 +ATOM 29 CB ARG 16 8.928 4.019 -6.295 +ATOM 30 CA PRO 17 10.833 3.493 -2.223 +ATOM 31 CB PRO 17 9.697 4.055 -1.772 +ATOM 32 CA PRO 18 10.812 -0.250 -2.875 +ATOM 33 CB PRO 18 11.505 0.110 -3.970 +ATOM 34 CA PRO 19 10.368 -2.153 0.384 +ATOM 35 CB PRO 19 9.175 -2.690 0.073 +ATOM 36 CA SER 20 12.486 -5.096 -0.752 +ATOM 37 CB SER 20 12.120 -5.577 -1.731 +TER +CONECT 1 3 2 +CONECT 3 5 4 +CONECT 5 7 6 +CONECT 7 9 8 +CONECT 9 11 10 +CONECT 11 13 12 +CONECT 13 15 14 +CONECT 15 17 16 +CONECT 17 19 18 +CONECT 19 20 +CONECT 20 21 +CONECT 21 23 22 +CONECT 23 25 24 +CONECT 25 27 26 +CONECT 27 28 +CONECT 28 30 29 +CONECT 30 32 31 +CONECT 32 34 33 +CONECT 34 35 +CONECT 36 37 diff --git a/examples/unres/CSA/GAB/CSA/global/unrestrained/CLUSTER/1l2y_csa_GB0000004_025.pdb b/examples/unres/CSA/GAB/CSA/global/unrestrained/CLUSTER/1l2y_csa_GB0000004_025.pdb new file mode 100644 index 0000000..763b4ed --- /dev/null +++ b/examples/unres/CSA/GAB/CSA/global/unrestrained/CLUSTER/1l2y_csa_GB0000004_025.pdb @@ -0,0 +1,59 @@ +REMARK 1l2y ENERGY -8.43000E+01 +ATOM 1 CA ASN 1 3.800 0.000 0.000 +ATOM 2 CB ASN 1 5.333 0.570 0.403 +ATOM 3 CA LEU 2 4.047 -3.792 0.000 +ATOM 4 CB LEU 2 3.585 -5.617 0.466 +ATOM 5 CA TYR 3 4.034 -3.992 -3.795 +ATOM 6 CB TYR 3 5.029 -1.729 -3.552 +ATOM 7 CA ILE 4 6.619 -5.755 -5.950 +ATOM 8 CB ILE 4 6.060 -7.130 -6.925 +ATOM 9 CA GLN 5 8.350 -2.470 -6.757 +ATOM 10 CB GLN 5 7.384 -0.449 -6.799 +ATOM 11 CA TRP 6 9.035 -1.920 -3.060 +ATOM 12 CB TRP 6 8.059 -2.373 -0.688 +ATOM 13 CA LEU 7 10.007 -5.573 -2.666 +ATOM 14 CB LEU 7 8.650 -6.619 -1.759 +ATOM 15 CA LYS 8 12.379 -5.288 -5.621 +ATOM 16 CB LYS 8 11.604 -3.222 -6.881 +ATOM 17 CA ASP 9 14.022 -2.230 -4.074 +ATOM 18 CB ASP 9 12.796 -1.100 -3.699 +ATOM 19 CA GLY 10 14.168 -3.843 -0.636 +ATOM 20 CA GLY 11 11.715 -1.408 0.944 +ATOM 21 CA PRO 12 9.590 -1.989 4.040 +ATOM 22 CB PRO 12 9.282 -0.699 3.818 +ATOM 23 CA SER 13 8.137 -5.499 4.104 +ATOM 24 CB SER 13 8.663 -5.691 3.099 +ATOM 25 CA SER 14 5.939 -4.861 7.137 +ATOM 26 CB SER 14 6.365 -3.909 6.652 +ATOM 27 CA GLY 15 3.340 -7.221 8.590 +ATOM 28 CA ARG 16 1.592 -7.998 5.307 +ATOM 29 CB ARG 16 2.980 -5.391 4.680 +ATOM 30 CA PRO 17 2.266 -10.893 2.939 +ATOM 31 CB PRO 17 0.927 -10.797 2.857 +ATOM 32 CA PRO 18 4.921 -10.607 0.236 +ATOM 33 CB PRO 18 5.341 -11.780 0.742 +ATOM 34 CA PRO 19 3.773 -10.422 -3.382 +ATOM 35 CB PRO 19 4.072 -9.119 -3.238 +ATOM 36 CA SER 20 5.544 -12.405 -6.097 +ATOM 37 CB SER 20 4.812 -12.782 -6.901 +TER +CONECT 1 3 2 +CONECT 3 5 4 +CONECT 5 7 6 +CONECT 7 9 8 +CONECT 9 11 10 +CONECT 11 13 12 +CONECT 13 15 14 +CONECT 15 17 16 +CONECT 17 19 18 +CONECT 19 20 +CONECT 20 21 +CONECT 21 23 22 +CONECT 23 25 24 +CONECT 25 27 26 +CONECT 27 28 +CONECT 28 30 29 +CONECT 30 32 31 +CONECT 32 34 33 +CONECT 34 35 +CONECT 36 37 diff --git a/examples/unres/CSA/GAB/CSA/global/unrestrained/CLUSTER/1l2y_csa_GB0000004_026.pdb b/examples/unres/CSA/GAB/CSA/global/unrestrained/CLUSTER/1l2y_csa_GB0000004_026.pdb new file mode 100644 index 0000000..c020afd --- /dev/null +++ b/examples/unres/CSA/GAB/CSA/global/unrestrained/CLUSTER/1l2y_csa_GB0000004_026.pdb @@ -0,0 +1,59 @@ +REMARK 1l2y ENERGY -8.42400E+01 +ATOM 1 CA ASN 1 3.800 0.000 0.000 +ATOM 2 CB ASN 1 5.357 0.532 0.360 +ATOM 3 CA LEU 2 4.049 -3.792 0.000 +ATOM 4 CB LEU 2 3.420 -5.545 0.541 +ATOM 5 CA TYR 3 4.790 -3.942 -3.724 +ATOM 6 CB TYR 3 5.718 -1.661 -3.400 +ATOM 7 CA ILE 4 7.739 -5.356 -5.659 +ATOM 8 CB ILE 4 7.368 -6.491 -6.975 +ATOM 9 CA GLN 5 9.485 -1.982 -5.733 +ATOM 10 CB GLN 5 8.638 0.058 -6.105 +ATOM 11 CA TRP 6 9.375 -1.851 -1.936 +ATOM 12 CB TRP 6 8.072 -2.515 0.219 +ATOM 13 CA LEU 7 10.331 -5.524 -1.760 +ATOM 14 CB LEU 7 10.000 -7.335 -2.370 +ATOM 15 CA LYS 8 13.895 -4.681 -2.771 +ATOM 16 CB LYS 8 13.079 -2.964 -4.456 +ATOM 17 CA ASP 9 13.924 -1.607 -0.537 +ATOM 18 CB ASP 9 12.877 -0.519 -1.338 +ATOM 19 CA GLY 10 14.192 -3.693 2.628 +ATOM 20 CA GLY 11 10.469 -3.551 3.379 +ATOM 21 CA PRO 12 8.452 -6.768 3.541 +ATOM 22 CB PRO 12 7.943 -6.830 2.298 +ATOM 23 CA SER 13 11.384 -8.809 2.246 +ATOM 24 CB SER 13 12.063 -8.205 1.543 +ATOM 25 CA SER 14 13.302 -8.122 5.454 +ATOM 26 CB SER 14 12.980 -7.039 5.237 +ATOM 27 CA GLY 15 12.087 -11.276 7.191 +ATOM 28 CA ARG 16 8.468 -11.082 6.049 +ATOM 29 CB ARG 16 9.386 -8.348 6.945 +ATOM 30 CA PRO 17 7.076 -12.733 2.922 +ATOM 31 CB PRO 17 5.973 -12.700 3.691 +ATOM 32 CA PRO 18 7.586 -11.123 -0.482 +ATOM 33 CB PRO 18 8.077 -12.333 -0.803 +ATOM 34 CA PRO 19 4.625 -9.720 -2.406 +ATOM 35 CB PRO 19 5.199 -8.507 -2.505 +ATOM 36 CA SER 20 5.923 -10.986 -5.745 +ATOM 37 CB SER 20 7.065 -10.863 -5.818 +TER +CONECT 1 3 2 +CONECT 3 5 4 +CONECT 5 7 6 +CONECT 7 9 8 +CONECT 9 11 10 +CONECT 11 13 12 +CONECT 13 15 14 +CONECT 15 17 16 +CONECT 17 19 18 +CONECT 19 20 +CONECT 20 21 +CONECT 21 23 22 +CONECT 23 25 24 +CONECT 25 27 26 +CONECT 27 28 +CONECT 28 30 29 +CONECT 30 32 31 +CONECT 32 34 33 +CONECT 34 35 +CONECT 36 37 diff --git a/examples/unres/CSA/GAB/CSA/global/unrestrained/CLUSTER/1l2y_csa_GB0000004_027.pdb b/examples/unres/CSA/GAB/CSA/global/unrestrained/CLUSTER/1l2y_csa_GB0000004_027.pdb new file mode 100644 index 0000000..ed0ed24 --- /dev/null +++ b/examples/unres/CSA/GAB/CSA/global/unrestrained/CLUSTER/1l2y_csa_GB0000004_027.pdb @@ -0,0 +1,59 @@ +REMARK 1l2y ENERGY -8.40200E+01 +ATOM 1 CA ASN 1 3.800 0.000 0.000 +ATOM 2 CB ASN 1 5.348 0.611 0.259 +ATOM 3 CA LEU 2 4.047 -3.792 0.000 +ATOM 4 CB LEU 2 3.445 -5.635 0.042 +ATOM 5 CA TYR 3 5.270 -3.913 -3.596 +ATOM 6 CB TYR 3 6.378 -1.713 -3.277 +ATOM 7 CA ILE 4 8.384 -5.796 -4.691 +ATOM 8 CB ILE 4 8.181 -7.118 -5.859 +ATOM 9 CA GLN 5 10.453 -2.608 -4.685 +ATOM 10 CB GLN 5 9.759 -0.741 -5.710 +ATOM 11 CA TRP 6 9.451 -1.950 -1.079 +ATOM 12 CB TRP 6 7.896 -2.411 0.960 +ATOM 13 CA LEU 7 10.062 -5.590 -0.172 +ATOM 14 CB LEU 7 8.570 -6.824 -0.256 +ATOM 15 CA LYS 8 13.379 -5.564 -2.027 +ATOM 16 CB LYS 8 12.806 -6.876 -4.126 +ATOM 17 CA ASP 9 14.409 -2.280 -0.415 +ATOM 18 CB ASP 9 13.180 -1.106 -0.588 +ATOM 19 CA GLY 10 13.427 -3.440 3.068 +ATOM 20 CA GLY 11 10.617 -0.910 3.442 +ATOM 21 CA PRO 12 7.618 -0.756 5.769 +ATOM 22 CB PRO 12 7.288 0.243 4.931 +ATOM 23 CA SER 13 5.958 -4.090 6.522 +ATOM 24 CB SER 13 6.653 -4.823 7.073 +ATOM 25 CA SER 14 3.010 -4.406 8.899 +ATOM 26 CB SER 14 1.991 -4.099 8.462 +ATOM 27 CA GLY 15 2.585 -8.166 8.549 +ATOM 28 CA ARG 16 1.814 -8.064 4.829 +ATOM 29 CB ARG 16 4.456 -6.882 3.969 +ATOM 30 CA PRO 17 1.747 -10.894 2.293 +ATOM 31 CB PRO 17 0.495 -10.417 2.178 +ATOM 32 CA PRO 18 4.531 -11.039 -0.290 +ATOM 33 CB PRO 18 4.617 -12.326 0.092 +ATOM 34 CA PRO 19 3.673 -10.245 -3.905 +ATOM 35 CB PRO 19 4.343 -9.108 -3.644 +ATOM 36 CA SER 20 6.326 -12.568 -5.321 +ATOM 37 CB SER 20 7.395 -12.190 -5.133 +TER +CONECT 1 3 2 +CONECT 3 5 4 +CONECT 5 7 6 +CONECT 7 9 8 +CONECT 9 11 10 +CONECT 11 13 12 +CONECT 13 15 14 +CONECT 15 17 16 +CONECT 17 19 18 +CONECT 19 20 +CONECT 20 21 +CONECT 21 23 22 +CONECT 23 25 24 +CONECT 25 27 26 +CONECT 27 28 +CONECT 28 30 29 +CONECT 30 32 31 +CONECT 32 34 33 +CONECT 34 35 +CONECT 36 37 diff --git a/examples/unres/CSA/GAB/CSA/global/unrestrained/CLUSTER/1l2y_csa_GB0000004_028.pdb b/examples/unres/CSA/GAB/CSA/global/unrestrained/CLUSTER/1l2y_csa_GB0000004_028.pdb new file mode 100644 index 0000000..06fedcb --- /dev/null +++ b/examples/unres/CSA/GAB/CSA/global/unrestrained/CLUSTER/1l2y_csa_GB0000004_028.pdb @@ -0,0 +1,59 @@ +REMARK 1l2y ENERGY -8.37800E+01 +ATOM 1 CA ASN 1 3.800 0.000 0.000 +ATOM 2 CB ASN 1 5.419 0.375 0.275 +ATOM 3 CA LEU 2 4.056 -3.791 0.000 +ATOM 4 CB LEU 2 3.478 -5.557 0.555 +ATOM 5 CA TYR 3 3.228 -4.046 -3.700 +ATOM 6 CB TYR 3 4.657 -2.944 -5.406 +ATOM 7 CA ILE 4 3.960 -7.537 -5.010 +ATOM 8 CB ILE 4 3.472 -8.684 -3.745 +ATOM 9 CA GLN 5 2.235 -6.758 -8.306 +ATOM 10 CB GLN 5 0.748 -5.463 -7.244 +ATOM 11 CA TRP 6 5.046 -4.379 -9.245 +ATOM 12 CB TRP 6 6.350 -2.794 -10.848 +ATOM 13 CA LEU 7 7.670 -6.812 -7.967 +ATOM 14 CB LEU 7 8.301 -5.990 -6.328 +ATOM 15 CA LYS 8 6.094 -9.664 -9.923 +ATOM 16 CB LYS 8 5.076 -10.938 -7.974 +ATOM 17 CA ASP 9 5.573 -7.499 -13.002 +ATOM 18 CB ASP 9 4.354 -6.383 -12.565 +ATOM 19 CA GLY 10 9.251 -7.664 -13.942 +ATOM 20 CA GLY 11 9.929 -4.010 -13.149 +ATOM 21 CA PRO 12 12.325 -2.214 -10.810 +ATOM 22 CB PRO 12 11.690 -1.143 -11.318 +ATOM 23 CA SER 13 12.559 -3.318 -7.181 +ATOM 24 CB SER 13 12.471 -4.464 -7.223 +ATOM 25 CA SER 14 15.348 -0.854 -6.410 +ATOM 26 CB SER 14 15.844 -0.378 -7.332 +ATOM 27 CA GLY 15 12.998 2.016 -5.587 +ATOM 28 CA ARG 16 9.983 -0.087 -4.623 +ATOM 29 CB ARG 16 9.639 -1.782 -7.099 +ATOM 30 CA PRO 17 9.589 -2.102 -1.425 +ATOM 31 CB PRO 17 8.301 -2.304 -1.757 +ATOM 32 CA PRO 18 10.994 -5.630 -1.280 +ATOM 33 CB PRO 18 11.873 -5.015 -0.468 +ATOM 34 CA PRO 19 8.268 -8.236 -0.811 +ATOM 35 CB PRO 19 7.439 -7.394 -1.455 +ATOM 36 CA SER 20 10.715 -11.010 0.057 +ATOM 37 CB SER 20 11.741 -10.937 -0.458 +TER +CONECT 1 3 2 +CONECT 3 5 4 +CONECT 5 7 6 +CONECT 7 9 8 +CONECT 9 11 10 +CONECT 11 13 12 +CONECT 13 15 14 +CONECT 15 17 16 +CONECT 17 19 18 +CONECT 19 20 +CONECT 20 21 +CONECT 21 23 22 +CONECT 23 25 24 +CONECT 25 27 26 +CONECT 27 28 +CONECT 28 30 29 +CONECT 30 32 31 +CONECT 32 34 33 +CONECT 34 35 +CONECT 36 37 diff --git a/examples/unres/CSA/GAB/CSA/global/unrestrained/CLUSTER/1l2y_csa_GB0000004_029.pdb b/examples/unres/CSA/GAB/CSA/global/unrestrained/CLUSTER/1l2y_csa_GB0000004_029.pdb new file mode 100644 index 0000000..d57dd57 --- /dev/null +++ b/examples/unres/CSA/GAB/CSA/global/unrestrained/CLUSTER/1l2y_csa_GB0000004_029.pdb @@ -0,0 +1,59 @@ +REMARK 1l2y ENERGY -8.33500E+01 +ATOM 1 CA ASN 1 3.800 0.000 0.000 +ATOM 2 CB ASN 1 5.429 0.402 0.141 +ATOM 3 CA LEU 2 4.058 -3.791 0.000 +ATOM 4 CB LEU 2 3.954 -5.695 -0.352 +ATOM 5 CA TYR 3 6.097 -3.739 -3.206 +ATOM 6 CB TYR 3 5.917 -1.287 -3.562 +ATOM 7 CA ILE 4 9.299 -3.238 -1.224 +ATOM 8 CB ILE 4 10.055 -1.651 -0.967 +ATOM 9 CA GLN 5 8.284 -6.012 1.167 +ATOM 10 CB GLN 5 7.293 -4.509 2.500 +ATOM 11 CA TRP 6 7.219 -8.176 -1.769 +ATOM 12 CB TRP 6 6.841 -10.327 -3.188 +ATOM 13 CA LEU 7 10.347 -7.236 -3.711 +ATOM 14 CB LEU 7 9.377 -6.050 -4.900 +ATOM 15 CA LYS 8 12.496 -8.055 -0.686 +ATOM 16 CB LYS 8 13.000 -5.688 0.089 +ATOM 17 CA ASP 9 10.619 -11.297 -0.051 +ATOM 18 CB ASP 9 9.083 -10.793 0.504 +ATOM 19 CA GLY 10 12.596 -13.059 -2.777 +ATOM 20 CA GLY 11 9.999 -12.572 -5.507 +ATOM 21 CA PRO 12 7.721 -10.098 -7.277 +ATOM 22 CB PRO 12 7.582 -11.090 -8.174 +ATOM 23 CA SER 13 4.540 -8.492 -5.957 +ATOM 24 CB SER 13 4.731 -7.708 -5.137 +ATOM 25 CA SER 14 4.457 -5.823 -8.661 +ATOM 26 CB SER 14 5.555 -5.560 -8.881 +ATOM 27 CA GLY 15 3.142 -5.344 -12.193 +ATOM 28 CA ARG 16 4.487 -1.803 -12.491 +ATOM 29 CB ARG 16 5.669 -1.904 -9.713 +ATOM 30 CA PRO 17 8.281 -2.009 -12.446 +ATOM 31 CB PRO 17 8.113 -0.826 -13.063 +ATOM 32 CA PRO 18 9.792 -3.215 -9.175 +ATOM 33 CB PRO 18 10.479 -4.049 -9.975 +ATOM 34 CA PRO 19 11.596 -0.739 -6.926 +ATOM 35 CB PRO 19 10.649 -1.026 -6.014 +ATOM 36 CA SER 20 14.327 -3.219 -6.014 +ATOM 37 CB SER 20 13.874 -4.224 -5.687 +TER +CONECT 1 3 2 +CONECT 3 5 4 +CONECT 5 7 6 +CONECT 7 9 8 +CONECT 9 11 10 +CONECT 11 13 12 +CONECT 13 15 14 +CONECT 15 17 16 +CONECT 17 19 18 +CONECT 19 20 +CONECT 20 21 +CONECT 21 23 22 +CONECT 23 25 24 +CONECT 25 27 26 +CONECT 27 28 +CONECT 28 30 29 +CONECT 30 32 31 +CONECT 32 34 33 +CONECT 34 35 +CONECT 36 37 diff --git a/examples/unres/CSA/GAB/CSA/global/unrestrained/CLUSTER/1l2y_csa_GB0000004_030.pdb b/examples/unres/CSA/GAB/CSA/global/unrestrained/CLUSTER/1l2y_csa_GB0000004_030.pdb new file mode 100644 index 0000000..2140004 --- /dev/null +++ b/examples/unres/CSA/GAB/CSA/global/unrestrained/CLUSTER/1l2y_csa_GB0000004_030.pdb @@ -0,0 +1,59 @@ +REMARK 1l2y ENERGY -8.33400E+01 +ATOM 1 CA ASN 1 3.800 0.000 0.000 +ATOM 2 CB ASN 1 5.439 0.374 0.092 +ATOM 3 CA LEU 2 4.060 -3.791 0.000 +ATOM 4 CB LEU 2 3.761 -5.662 -0.411 +ATOM 5 CA TYR 3 6.223 -3.736 -3.124 +ATOM 6 CB TYR 3 6.040 -1.313 -3.637 +ATOM 7 CA ILE 4 9.387 -3.266 -1.072 +ATOM 8 CB ILE 4 10.171 -1.702 -0.766 +ATOM 9 CA GLN 5 8.311 -6.010 1.327 +ATOM 10 CB GLN 5 7.134 -4.565 2.569 +ATOM 11 CA TRP 6 7.037 -8.097 -1.582 +ATOM 12 CB TRP 6 6.700 -10.623 -2.120 +ATOM 13 CA LEU 7 10.277 -7.580 -3.500 +ATOM 14 CB LEU 7 9.418 -6.274 -4.648 +ATOM 15 CA LYS 8 12.279 -8.661 -0.457 +ATOM 16 CB LYS 8 12.907 -6.294 0.221 +ATOM 17 CA ASP 9 9.990 -11.642 0.104 +ATOM 18 CB ASP 9 8.755 -11.208 1.203 +ATOM 19 CA GLY 10 10.268 -12.803 -3.504 +ATOM 20 CA GLY 11 8.781 -16.244 -2.883 +ATOM 21 CA PRO 12 5.297 -16.954 -1.542 +ATOM 22 CB PRO 12 5.685 -18.219 -1.780 +ATOM 23 CA SER 13 4.182 -14.580 1.208 +ATOM 24 CB SER 13 4.264 -13.548 0.706 +ATOM 25 CA SER 14 1.853 -15.094 4.166 +ATOM 26 CB SER 14 2.325 -15.492 5.137 +ATOM 27 CA GLY 15 1.787 -11.406 5.080 +ATOM 28 CA ARG 16 0.444 -8.671 2.810 +ATOM 29 CB ARG 16 0.428 -5.705 2.243 +ATOM 30 CA PRO 17 -0.137 -9.858 -0.753 +ATOM 31 CB PRO 17 -0.711 -8.645 -0.843 +ATOM 32 CA PRO 18 2.865 -10.724 -2.915 +ATOM 33 CB PRO 18 2.337 -11.959 -2.849 +ATOM 34 CA PRO 19 3.681 -8.836 -6.110 +ATOM 35 CB PRO 19 4.418 -8.021 -5.334 +ATOM 36 CA SER 20 5.994 -11.562 -7.398 +ATOM 37 CB SER 20 6.671 -11.985 -6.571 +TER +CONECT 1 3 2 +CONECT 3 5 4 +CONECT 5 7 6 +CONECT 7 9 8 +CONECT 9 11 10 +CONECT 11 13 12 +CONECT 13 15 14 +CONECT 15 17 16 +CONECT 17 19 18 +CONECT 19 20 +CONECT 20 21 +CONECT 21 23 22 +CONECT 23 25 24 +CONECT 25 27 26 +CONECT 27 28 +CONECT 28 30 29 +CONECT 30 32 31 +CONECT 32 34 33 +CONECT 34 35 +CONECT 36 37 diff --git a/examples/unres/CSA/GAB/CSA/global/unrestrained/CLUSTER/1l2y_csa_GB0000005_001.pdb b/examples/unres/CSA/GAB/CSA/global/unrestrained/CLUSTER/1l2y_csa_GB0000005_001.pdb new file mode 100644 index 0000000..f4c38ea --- /dev/null +++ b/examples/unres/CSA/GAB/CSA/global/unrestrained/CLUSTER/1l2y_csa_GB0000005_001.pdb @@ -0,0 +1,59 @@ +REMARK 1l2y ENERGY -8.82100E+01 +ATOM 1 CA ASN 1 3.800 0.000 0.000 +ATOM 2 CB ASN 1 5.458 0.291 0.050 +ATOM 3 CA LEU 2 4.064 -3.791 0.000 +ATOM 4 CB LEU 2 3.852 -5.710 -0.174 +ATOM 5 CA TYR 3 6.295 -3.731 -3.075 +ATOM 6 CB TYR 3 5.829 -5.788 -4.389 +ATOM 7 CA ILE 4 9.402 -3.602 -0.892 +ATOM 8 CB ILE 4 10.137 -2.106 -0.279 +ATOM 9 CA GLN 5 7.953 -6.355 1.290 +ATOM 10 CB GLN 5 7.200 -4.753 2.663 +ATOM 11 CA TRP 6 7.113 -8.348 -1.835 +ATOM 12 CB TRP 6 7.127 -10.291 -3.570 +ATOM 13 CA LEU 7 10.552 -7.556 -3.245 +ATOM 14 CB LEU 7 10.034 -6.830 -4.967 +ATOM 15 CA LYS 8 12.162 -9.004 -0.123 +ATOM 16 CB LYS 8 12.875 -6.705 0.692 +ATOM 17 CA ASP 9 9.480 -11.677 0.195 +ATOM 18 CB ASP 9 8.077 -10.898 0.783 +ATOM 19 CA GLY 10 10.443 -13.234 -3.135 +ATOM 20 CA GLY 11 10.660 -11.155 -6.308 +ATOM 21 CA PRO 12 7.494 -9.708 -7.833 +ATOM 22 CB PRO 12 7.370 -10.646 -8.789 +ATOM 23 CA SER 13 4.439 -11.663 -6.700 +ATOM 24 CB SER 13 4.027 -12.576 -7.265 +ATOM 25 CA SER 14 2.000 -8.916 -7.674 +ATOM 26 CB SER 14 2.417 -7.845 -7.633 +ATOM 27 CA GLY 15 0.985 -8.760 -11.333 +ATOM 28 CA ARG 16 4.467 -9.517 -12.653 +ATOM 29 CB ARG 16 5.352 -7.749 -10.371 +ATOM 30 CA PRO 17 5.359 -13.200 -12.935 +ATOM 31 CB PRO 17 6.181 -12.659 -13.853 +ATOM 32 CA PRO 18 6.026 -15.216 -9.784 +ATOM 33 CB PRO 18 5.225 -16.135 -10.352 +ATOM 34 CA PRO 19 9.563 -16.400 -9.058 +ATOM 35 CB PRO 19 9.534 -15.551 -8.015 +ATOM 36 CA SER 20 8.399 -19.785 -7.785 +ATOM 37 CB SER 20 7.325 -19.771 -7.374 +TER +CONECT 1 3 2 +CONECT 3 5 4 +CONECT 5 7 6 +CONECT 7 9 8 +CONECT 9 11 10 +CONECT 11 13 12 +CONECT 13 15 14 +CONECT 15 17 16 +CONECT 17 19 18 +CONECT 19 20 +CONECT 20 21 +CONECT 21 23 22 +CONECT 23 25 24 +CONECT 25 27 26 +CONECT 27 28 +CONECT 28 30 29 +CONECT 30 32 31 +CONECT 32 34 33 +CONECT 34 35 +CONECT 36 37 diff --git a/examples/unres/CSA/GAB/CSA/global/unrestrained/CLUSTER/1l2y_csa_GB0000005_002.pdb b/examples/unres/CSA/GAB/CSA/global/unrestrained/CLUSTER/1l2y_csa_GB0000005_002.pdb new file mode 100644 index 0000000..870182d --- /dev/null +++ b/examples/unres/CSA/GAB/CSA/global/unrestrained/CLUSTER/1l2y_csa_GB0000005_002.pdb @@ -0,0 +1,59 @@ +REMARK 1l2y ENERGY -8.73100E+01 +ATOM 1 CA ASN 1 3.800 0.000 0.000 +ATOM 2 CB ASN 1 5.423 0.414 0.170 +ATOM 3 CA LEU 2 4.057 -3.791 0.000 +ATOM 4 CB LEU 2 3.930 -5.699 -0.322 +ATOM 5 CA TYR 3 6.002 -3.750 -3.264 +ATOM 6 CB TYR 3 5.761 -1.296 -3.568 +ATOM 7 CA ILE 4 9.266 -3.280 -1.375 +ATOM 8 CB ILE 4 9.984 -1.687 -1.060 +ATOM 9 CA GLN 5 8.259 -6.011 1.067 +ATOM 10 CB GLN 5 7.370 -4.444 2.397 +ATOM 11 CA TRP 6 7.162 -8.211 -1.832 +ATOM 12 CB TRP 6 6.332 -10.329 -3.100 +ATOM 13 CA LEU 7 10.261 -7.254 -3.813 +ATOM 14 CB LEU 7 9.094 -6.418 -5.117 +ATOM 15 CA LYS 8 12.448 -7.969 -0.789 +ATOM 16 CB LYS 8 13.013 -5.589 -0.102 +ATOM 17 CA ASP 9 10.570 -11.183 -0.021 +ATOM 18 CB ASP 9 9.021 -10.693 0.507 +ATOM 19 CA GLY 10 12.319 -12.942 -2.900 +ATOM 20 CA GLY 11 9.543 -12.354 -5.428 +ATOM 21 CA PRO 12 7.129 -10.016 -7.202 +ATOM 22 CB PRO 12 6.590 -11.049 -7.874 +ATOM 23 CA SER 13 4.035 -8.245 -5.886 +ATOM 24 CB SER 13 4.304 -7.480 -5.071 +ATOM 25 CA SER 14 3.862 -5.814 -8.802 +ATOM 26 CB SER 14 4.893 -5.471 -9.177 +ATOM 27 CA GLY 15 2.313 -6.818 -12.124 +ATOM 28 CA ARG 16 4.162 -10.124 -12.419 +ATOM 29 CB ARG 16 6.337 -8.644 -10.936 +ATOM 30 CA PRO 17 2.860 -13.402 -11.005 +ATOM 31 CB PRO 17 3.636 -13.838 -12.014 +ATOM 32 CA PRO 18 3.069 -14.037 -7.264 +ATOM 33 CB PRO 18 1.918 -14.730 -7.329 +ATOM 34 CA PRO 19 5.405 -16.990 -6.753 +ATOM 35 CB PRO 19 6.379 -16.075 -6.906 +ATOM 36 CA SER 20 4.619 -17.173 -3.039 +ATOM 37 CB SER 20 4.683 -16.084 -2.677 +TER +CONECT 1 3 2 +CONECT 3 5 4 +CONECT 5 7 6 +CONECT 7 9 8 +CONECT 9 11 10 +CONECT 11 13 12 +CONECT 13 15 14 +CONECT 15 17 16 +CONECT 17 19 18 +CONECT 19 20 +CONECT 20 21 +CONECT 21 23 22 +CONECT 23 25 24 +CONECT 25 27 26 +CONECT 27 28 +CONECT 28 30 29 +CONECT 30 32 31 +CONECT 32 34 33 +CONECT 34 35 +CONECT 36 37 diff --git a/examples/unres/CSA/GAB/CSA/global/unrestrained/CLUSTER/1l2y_csa_GB0000005_003.pdb b/examples/unres/CSA/GAB/CSA/global/unrestrained/CLUSTER/1l2y_csa_GB0000005_003.pdb new file mode 100644 index 0000000..cc74d13 --- /dev/null +++ b/examples/unres/CSA/GAB/CSA/global/unrestrained/CLUSTER/1l2y_csa_GB0000005_003.pdb @@ -0,0 +1,59 @@ +REMARK 1l2y ENERGY -8.70400E+01 +ATOM 1 CA ASN 1 3.800 0.000 0.000 +ATOM 2 CB ASN 1 5.456 0.301 0.055 +ATOM 3 CA LEU 2 4.063 -3.791 0.000 +ATOM 4 CB LEU 2 3.813 -5.706 -0.175 +ATOM 5 CA TYR 3 6.288 -3.734 -3.080 +ATOM 6 CB TYR 3 5.854 -5.799 -4.390 +ATOM 7 CA ILE 4 9.402 -3.603 -0.906 +ATOM 8 CB ILE 4 10.121 -2.106 -0.275 +ATOM 9 CA GLN 5 7.972 -6.372 1.267 +ATOM 10 CB GLN 5 7.187 -4.779 2.632 +ATOM 11 CA TRP 6 7.099 -8.338 -1.866 +ATOM 12 CB TRP 6 7.225 -10.271 -3.607 +ATOM 13 CA LEU 7 10.530 -7.548 -3.296 +ATOM 14 CB LEU 7 10.090 -6.832 -5.043 +ATOM 15 CA LYS 8 12.157 -9.030 -0.198 +ATOM 16 CB LYS 8 12.848 -6.737 0.651 +ATOM 17 CA ASP 9 9.515 -11.751 0.046 +ATOM 18 CB ASP 9 8.111 -11.000 0.667 +ATOM 19 CA GLY 10 10.541 -13.250 -3.291 +ATOM 20 CA GLY 11 10.660 -11.193 -6.484 +ATOM 21 CA PRO 12 7.538 -9.610 -7.963 +ATOM 22 CB PRO 12 7.463 -10.288 -9.122 +ATOM 23 CA SER 13 4.449 -11.730 -7.325 +ATOM 24 CB SER 13 4.751 -12.740 -7.784 +ATOM 25 CA SER 14 2.066 -8.843 -7.977 +ATOM 26 CB SER 14 2.516 -7.811 -7.743 +ATOM 27 CA GLY 15 1.149 -7.904 -11.544 +ATOM 28 CA ARG 16 4.695 -8.238 -12.870 +ATOM 29 CB ARG 16 5.684 -6.924 -10.337 +ATOM 30 CA PRO 17 5.727 -11.704 -14.038 +ATOM 31 CB PRO 17 6.707 -10.950 -14.567 +ATOM 32 CA PRO 18 5.917 -14.522 -11.495 +ATOM 33 CB PRO 18 5.300 -15.265 -12.432 +ATOM 34 CA PRO 19 9.294 -15.939 -10.485 +ATOM 35 CB PRO 19 9.147 -14.977 -9.557 +ATOM 36 CA SER 20 9.673 -19.713 -10.240 +ATOM 37 CB SER 20 10.553 -20.093 -10.875 +TER +CONECT 1 3 2 +CONECT 3 5 4 +CONECT 5 7 6 +CONECT 7 9 8 +CONECT 9 11 10 +CONECT 11 13 12 +CONECT 13 15 14 +CONECT 15 17 16 +CONECT 17 19 18 +CONECT 19 20 +CONECT 20 21 +CONECT 21 23 22 +CONECT 23 25 24 +CONECT 25 27 26 +CONECT 27 28 +CONECT 28 30 29 +CONECT 30 32 31 +CONECT 32 34 33 +CONECT 34 35 +CONECT 36 37 diff --git a/examples/unres/CSA/GAB/CSA/global/unrestrained/CLUSTER/1l2y_csa_GB0000005_004.pdb b/examples/unres/CSA/GAB/CSA/global/unrestrained/CLUSTER/1l2y_csa_GB0000005_004.pdb new file mode 100644 index 0000000..26dfe55 --- /dev/null +++ b/examples/unres/CSA/GAB/CSA/global/unrestrained/CLUSTER/1l2y_csa_GB0000005_004.pdb @@ -0,0 +1,59 @@ +REMARK 1l2y ENERGY -8.70100E+01 +ATOM 1 CA ASN 1 3.800 0.000 0.000 +ATOM 2 CB ASN 1 5.426 0.408 0.161 +ATOM 3 CA LEU 2 4.057 -3.791 0.000 +ATOM 4 CB LEU 2 3.883 -5.689 -0.356 +ATOM 5 CA TYR 3 6.032 -3.747 -3.246 +ATOM 6 CB TYR 3 5.800 -1.296 -3.573 +ATOM 7 CA ILE 4 9.284 -3.259 -1.341 +ATOM 8 CB ILE 4 10.012 -1.667 -1.044 +ATOM 9 CA GLN 5 8.276 -5.969 1.125 +ATOM 10 CB GLN 5 7.319 -4.409 2.417 +ATOM 11 CA TRP 6 7.140 -8.178 -1.750 +ATOM 12 CB TRP 6 6.404 -10.297 -3.075 +ATOM 13 CA LEU 7 10.236 -7.282 -3.764 +ATOM 14 CB LEU 7 9.054 -6.443 -5.051 +ATOM 15 CA LYS 8 12.433 -8.015 -0.751 +ATOM 16 CB LYS 8 13.007 -5.634 -0.073 +ATOM 17 CA ASP 9 10.527 -11.211 0.017 +ATOM 18 CB ASP 9 8.989 -10.703 0.562 +ATOM 19 CA GLY 10 12.242 -12.999 -2.865 +ATOM 20 CA GLY 11 9.430 -12.487 -5.369 +ATOM 21 CA PRO 12 7.065 -10.211 -7.283 +ATOM 22 CB PRO 12 6.628 -11.323 -7.900 +ATOM 23 CA SER 13 4.119 -8.216 -5.949 +ATOM 24 CB SER 13 4.432 -7.507 -5.099 +ATOM 25 CA SER 14 2.129 -5.674 -7.953 +ATOM 26 CB SER 14 1.705 -6.126 -8.922 +ATOM 27 CA GLY 15 -1.211 -4.495 -6.577 +ATOM 28 CA ARG 16 -2.829 -7.930 -6.734 +ATOM 29 CB ARG 16 -0.204 -9.270 -7.392 +ATOM 30 CA PRO 17 -1.939 -10.674 -4.260 +ATOM 31 CB PRO 17 -3.150 -11.101 -4.663 +ATOM 32 CA PRO 18 1.480 -12.292 -4.618 +ATOM 33 CB PRO 18 1.949 -11.256 -3.900 +ATOM 34 CA PRO 19 1.686 -15.868 -5.887 +ATOM 35 CB PRO 19 2.595 -15.449 -6.786 +ATOM 36 CA SER 20 4.281 -16.886 -3.303 +ATOM 37 CB SER 20 5.048 -16.059 -3.081 +TER +CONECT 1 3 2 +CONECT 3 5 4 +CONECT 5 7 6 +CONECT 7 9 8 +CONECT 9 11 10 +CONECT 11 13 12 +CONECT 13 15 14 +CONECT 15 17 16 +CONECT 17 19 18 +CONECT 19 20 +CONECT 20 21 +CONECT 21 23 22 +CONECT 23 25 24 +CONECT 25 27 26 +CONECT 27 28 +CONECT 28 30 29 +CONECT 30 32 31 +CONECT 32 34 33 +CONECT 34 35 +CONECT 36 37 diff --git a/examples/unres/CSA/GAB/CSA/global/unrestrained/CLUSTER/1l2y_csa_GB0000005_005.pdb b/examples/unres/CSA/GAB/CSA/global/unrestrained/CLUSTER/1l2y_csa_GB0000005_005.pdb new file mode 100644 index 0000000..c2d075e --- /dev/null +++ b/examples/unres/CSA/GAB/CSA/global/unrestrained/CLUSTER/1l2y_csa_GB0000005_005.pdb @@ -0,0 +1,59 @@ +REMARK 1l2y ENERGY -8.63800E+01 +ATOM 1 CA ASN 1 3.800 0.000 0.000 +ATOM 2 CB ASN 1 5.455 0.308 0.057 +ATOM 3 CA LEU 2 4.063 -3.791 0.000 +ATOM 4 CB LEU 2 3.817 -5.706 -0.176 +ATOM 5 CA TYR 3 6.287 -3.734 -3.081 +ATOM 6 CB TYR 3 5.603 -5.766 -4.335 +ATOM 7 CA ILE 4 9.403 -3.517 -0.917 +ATOM 8 CB ILE 4 10.139 -2.023 -0.299 +ATOM 9 CA GLN 5 7.995 -6.253 1.313 +ATOM 10 CB GLN 5 7.194 -4.650 2.657 +ATOM 11 CA TRP 6 7.003 -8.232 -1.776 +ATOM 12 CB TRP 6 6.481 -10.680 -2.497 +ATOM 13 CA LEU 7 10.485 -7.701 -3.201 +ATOM 14 CB LEU 7 9.899 -6.802 -4.816 +ATOM 15 CA LYS 8 12.013 -9.137 -0.033 +ATOM 16 CB LYS 8 12.781 -6.848 0.759 +ATOM 17 CA ASP 9 9.235 -11.702 0.342 +ATOM 18 CB ASP 9 7.943 -11.006 1.218 +ATOM 19 CA GLY 10 9.944 -13.218 -3.070 +ATOM 20 CA GLY 11 10.118 -11.173 -6.268 +ATOM 21 CA PRO 12 7.136 -9.339 -7.745 +ATOM 22 CB PRO 12 6.974 -10.301 -8.671 +ATOM 23 CA SER 13 4.543 -11.470 -5.961 +ATOM 24 CB SER 13 3.896 -12.407 -6.115 +ATOM 25 CA SER 14 2.844 -11.404 -2.563 +ATOM 26 CB SER 14 1.831 -11.947 -2.595 +ATOM 27 CA GLY 15 4.143 -13.263 0.485 +ATOM 28 CA ARG 16 4.041 -16.707 -1.118 +ATOM 29 CB ARG 16 3.052 -16.423 -3.957 +ATOM 30 CA PRO 17 6.641 -17.486 -3.778 +ATOM 31 CB PRO 17 6.350 -18.757 -3.447 +ATOM 32 CA PRO 18 5.969 -16.110 -7.256 +ATOM 33 CB PRO 18 6.720 -15.106 -6.770 +ATOM 34 CA PRO 19 5.195 -18.454 -10.145 +ATOM 35 CB PRO 19 3.918 -18.032 -10.144 +ATOM 36 CA SER 20 6.996 -16.242 -12.656 +ATOM 37 CB SER 20 7.042 -15.156 -12.283 +TER +CONECT 1 3 2 +CONECT 3 5 4 +CONECT 5 7 6 +CONECT 7 9 8 +CONECT 9 11 10 +CONECT 11 13 12 +CONECT 13 15 14 +CONECT 15 17 16 +CONECT 17 19 18 +CONECT 19 20 +CONECT 20 21 +CONECT 21 23 22 +CONECT 23 25 24 +CONECT 25 27 26 +CONECT 27 28 +CONECT 28 30 29 +CONECT 30 32 31 +CONECT 32 34 33 +CONECT 34 35 +CONECT 36 37 diff --git a/examples/unres/CSA/GAB/CSA/global/unrestrained/CLUSTER/1l2y_csa_GB0000005_006.pdb b/examples/unres/CSA/GAB/CSA/global/unrestrained/CLUSTER/1l2y_csa_GB0000005_006.pdb new file mode 100644 index 0000000..15e8c3e --- /dev/null +++ b/examples/unres/CSA/GAB/CSA/global/unrestrained/CLUSTER/1l2y_csa_GB0000005_006.pdb @@ -0,0 +1,59 @@ +REMARK 1l2y ENERGY -8.61200E+01 +ATOM 1 CA ASN 1 3.800 0.000 0.000 +ATOM 2 CB ASN 1 5.421 0.421 0.176 +ATOM 3 CA LEU 2 4.057 -3.791 0.000 +ATOM 4 CB LEU 2 3.917 -5.696 -0.335 +ATOM 5 CA TYR 3 5.973 -3.752 -3.281 +ATOM 6 CB TYR 3 5.740 -1.295 -3.565 +ATOM 7 CA ILE 4 9.250 -3.247 -1.425 +ATOM 8 CB ILE 4 9.956 -1.644 -1.134 +ATOM 9 CA GLN 5 8.285 -5.962 1.053 +ATOM 10 CB GLN 5 7.376 -4.401 2.377 +ATOM 11 CA TRP 6 7.172 -8.192 -1.815 +ATOM 12 CB TRP 6 6.298 -10.245 -3.160 +ATOM 13 CA LEU 7 10.238 -7.227 -3.842 +ATOM 14 CB LEU 7 9.052 -6.424 -5.149 +ATOM 15 CA LYS 8 12.466 -7.911 -0.840 +ATOM 16 CB LYS 8 13.012 -5.524 -0.161 +ATOM 17 CA ASP 9 10.623 -11.139 -0.051 +ATOM 18 CB ASP 9 9.072 -10.652 0.478 +ATOM 19 CA GLY 10 12.340 -12.877 -2.962 +ATOM 20 CA GLY 11 9.517 -12.323 -5.444 +ATOM 21 CA PRO 12 7.068 -10.062 -7.270 +ATOM 22 CB PRO 12 6.520 -11.125 -7.885 +ATOM 23 CA SER 13 4.001 -8.262 -5.933 +ATOM 24 CB SER 13 4.269 -7.490 -5.124 +ATOM 25 CA SER 14 3.839 -5.827 -8.847 +ATOM 26 CB SER 14 4.868 -5.477 -9.222 +ATOM 27 CA GLY 15 2.367 -6.916 -12.177 +ATOM 28 CA ARG 16 4.268 -10.200 -12.378 +ATOM 29 CB ARG 16 6.407 -8.653 -10.912 +ATOM 30 CA PRO 17 2.950 -13.558 -11.184 +ATOM 31 CB PRO 17 3.787 -13.948 -12.163 +ATOM 32 CA PRO 18 3.051 -14.496 -7.503 +ATOM 33 CB PRO 18 1.806 -14.964 -7.703 +ATOM 34 CA PRO 19 5.421 -17.256 -6.406 +ATOM 35 CB PRO 19 6.276 -16.228 -6.549 +ATOM 36 CA SER 20 4.138 -19.763 -3.855 +ATOM 37 CB SER 20 4.256 -20.846 -4.223 +TER +CONECT 1 3 2 +CONECT 3 5 4 +CONECT 5 7 6 +CONECT 7 9 8 +CONECT 9 11 10 +CONECT 11 13 12 +CONECT 13 15 14 +CONECT 15 17 16 +CONECT 17 19 18 +CONECT 19 20 +CONECT 20 21 +CONECT 21 23 22 +CONECT 23 25 24 +CONECT 25 27 26 +CONECT 27 28 +CONECT 28 30 29 +CONECT 30 32 31 +CONECT 32 34 33 +CONECT 34 35 +CONECT 36 37 diff --git a/examples/unres/CSA/GAB/CSA/global/unrestrained/CLUSTER/1l2y_csa_GB0000005_007.pdb b/examples/unres/CSA/GAB/CSA/global/unrestrained/CLUSTER/1l2y_csa_GB0000005_007.pdb new file mode 100644 index 0000000..660d920 --- /dev/null +++ b/examples/unres/CSA/GAB/CSA/global/unrestrained/CLUSTER/1l2y_csa_GB0000005_007.pdb @@ -0,0 +1,59 @@ +REMARK 1l2y ENERGY -8.53200E+01 +ATOM 1 CA ASN 1 3.800 0.000 0.000 +ATOM 2 CB ASN 1 4.368 0.308 1.555 +ATOM 3 CA LEU 2 5.610 -3.341 0.000 +ATOM 4 CB LEU 2 7.071 -4.370 -0.753 +ATOM 5 CA TYR 3 5.927 -5.106 3.350 +ATOM 6 CB TYR 3 4.177 -4.238 4.884 +ATOM 7 CA ILE 4 9.610 -4.195 3.568 +ATOM 8 CB ILE 4 10.851 -5.032 2.611 +ATOM 9 CA GLN 5 8.711 -0.517 3.242 +ATOM 10 CB GLN 5 8.321 -0.239 1.054 +ATOM 11 CA TRP 6 5.867 -1.010 5.714 +ATOM 12 CB TRP 6 4.376 -0.493 7.787 +ATOM 13 CA LEU 7 8.211 -2.897 8.036 +ATOM 14 CB LEU 7 7.032 -4.421 8.248 +ATOM 15 CA LYS 8 10.645 0.020 7.955 +ATOM 16 CB LYS 8 12.326 -1.230 6.517 +ATOM 17 CA ASP 9 7.827 2.566 7.824 +ATOM 18 CB ASP 9 7.195 2.540 6.236 +ATOM 19 CA GLY 10 6.461 1.440 11.186 +ATOM 20 CA GLY 11 5.430 -2.165 11.798 +ATOM 21 CA PRO 12 2.466 -3.607 9.905 +ATOM 22 CB PRO 12 1.570 -3.443 10.894 +ATOM 23 CA SER 13 0.171 -0.856 8.639 +ATOM 24 CB SER 13 -0.715 -0.407 9.219 +ATOM 25 CA SER 14 -1.615 -3.123 6.166 +ATOM 26 CB SER 14 -0.997 -4.000 5.752 +ATOM 27 CA GLY 15 -4.420 -5.285 7.545 +ATOM 28 CA ARG 16 -2.614 -6.113 10.784 +ATOM 29 CB ARG 16 -0.214 -6.275 8.958 +ATOM 30 CA PRO 17 -3.012 -3.564 13.574 +ATOM 31 CB PRO 17 -2.765 -4.685 14.274 +ATOM 32 CA PRO 18 -1.189 -0.237 13.349 +ATOM 33 CB PRO 18 -2.369 0.296 13.711 +ATOM 34 CA PRO 19 1.665 0.468 15.756 +ATOM 35 CB PRO 19 2.451 0.423 14.665 +ATOM 36 CA SER 20 0.628 4.089 16.261 +ATOM 37 CB SER 20 0.036 4.518 15.374 +TER +CONECT 1 3 2 +CONECT 3 5 4 +CONECT 5 7 6 +CONECT 7 9 8 +CONECT 9 11 10 +CONECT 11 13 12 +CONECT 13 15 14 +CONECT 15 17 16 +CONECT 17 19 18 +CONECT 19 20 +CONECT 20 21 +CONECT 21 23 22 +CONECT 23 25 24 +CONECT 25 27 26 +CONECT 27 28 +CONECT 28 30 29 +CONECT 30 32 31 +CONECT 32 34 33 +CONECT 34 35 +CONECT 36 37 diff --git a/examples/unres/CSA/GAB/CSA/global/unrestrained/CLUSTER/1l2y_csa_GB0000005_008.pdb b/examples/unres/CSA/GAB/CSA/global/unrestrained/CLUSTER/1l2y_csa_GB0000005_008.pdb new file mode 100644 index 0000000..569a9de --- /dev/null +++ b/examples/unres/CSA/GAB/CSA/global/unrestrained/CLUSTER/1l2y_csa_GB0000005_008.pdb @@ -0,0 +1,59 @@ +REMARK 1l2y ENERGY -8.50900E+01 +ATOM 1 CA ASN 1 3.800 0.000 0.000 +ATOM 2 CB ASN 1 5.428 0.401 0.156 +ATOM 3 CA LEU 2 4.058 -3.791 0.000 +ATOM 4 CB LEU 2 3.918 -5.697 -0.332 +ATOM 5 CA TYR 3 6.039 -3.744 -3.242 +ATOM 6 CB TYR 3 5.783 -1.296 -3.572 +ATOM 7 CA ILE 4 9.276 -3.201 -1.328 +ATOM 8 CB ILE 4 10.026 -1.608 -1.093 +ATOM 9 CA GLN 5 8.249 -5.853 1.192 +ATOM 10 CB GLN 5 7.303 -4.294 2.493 +ATOM 11 CA TRP 6 7.212 -8.152 -1.651 +ATOM 12 CB TRP 6 6.800 -10.218 -3.184 +ATOM 13 CA LEU 7 10.313 -7.233 -3.645 +ATOM 14 CB LEU 7 9.175 -6.350 -4.943 +ATOM 15 CA LYS 8 12.519 -8.033 -0.656 +ATOM 16 CB LYS 8 13.185 -5.616 -0.243 +ATOM 17 CA ASP 9 10.316 -10.943 0.401 +ATOM 18 CB ASP 9 8.872 -10.252 0.999 +ATOM 19 CA GLY 10 11.225 -12.965 -2.684 +ATOM 20 CA GLY 11 9.740 -12.240 -6.106 +ATOM 21 CA PRO 12 7.186 -9.798 -7.504 +ATOM 22 CB PRO 12 6.784 -10.797 -8.310 +ATOM 23 CA SER 13 4.107 -8.395 -5.774 +ATOM 24 CB SER 13 4.433 -7.649 -4.962 +ATOM 25 CA SER 14 1.506 -6.106 -7.336 +ATOM 26 CB SER 14 1.015 -6.550 -8.276 +ATOM 27 CA GLY 15 -1.770 -5.462 -5.522 +ATOM 28 CA ARG 16 -2.978 -9.056 -5.765 +ATOM 29 CB ARG 16 -2.843 -8.041 -8.606 +ATOM 30 CA PRO 17 -1.372 -11.804 -3.687 +ATOM 31 CB PRO 17 -2.509 -12.416 -4.065 +ATOM 32 CA PRO 18 2.222 -12.757 -4.471 +ATOM 33 CB PRO 18 2.570 -11.719 -3.689 +ATOM 34 CA PRO 19 2.900 -16.125 -6.095 +ATOM 35 CB PRO 19 3.636 -15.502 -7.033 +ATOM 36 CA SER 20 5.880 -16.885 -3.863 +ATOM 37 CB SER 20 6.638 -16.027 -3.755 +TER +CONECT 1 3 2 +CONECT 3 5 4 +CONECT 5 7 6 +CONECT 7 9 8 +CONECT 9 11 10 +CONECT 11 13 12 +CONECT 13 15 14 +CONECT 15 17 16 +CONECT 17 19 18 +CONECT 19 20 +CONECT 20 21 +CONECT 21 23 22 +CONECT 23 25 24 +CONECT 25 27 26 +CONECT 27 28 +CONECT 28 30 29 +CONECT 30 32 31 +CONECT 32 34 33 +CONECT 34 35 +CONECT 36 37 diff --git a/examples/unres/CSA/GAB/CSA/global/unrestrained/CLUSTER/1l2y_csa_GB0000005_009.pdb b/examples/unres/CSA/GAB/CSA/global/unrestrained/CLUSTER/1l2y_csa_GB0000005_009.pdb new file mode 100644 index 0000000..95097f2 --- /dev/null +++ b/examples/unres/CSA/GAB/CSA/global/unrestrained/CLUSTER/1l2y_csa_GB0000005_009.pdb @@ -0,0 +1,59 @@ +REMARK 1l2y ENERGY -8.47200E+01 +ATOM 1 CA ASN 1 3.800 0.000 0.000 +ATOM 2 CB ASN 1 5.414 0.368 0.307 +ATOM 3 CA LEU 2 4.058 -3.791 0.000 +ATOM 4 CB LEU 2 3.478 -5.580 0.474 +ATOM 5 CA TYR 3 5.945 -5.365 -2.898 +ATOM 6 CB TYR 3 8.200 -4.849 -1.992 +ATOM 7 CA ILE 4 5.802 -9.141 -2.491 +ATOM 8 CB ILE 4 4.188 -9.882 -2.452 +ATOM 9 CA GLN 5 8.596 -9.581 -5.029 +ATOM 10 CB GLN 5 7.307 -8.989 -6.763 +ATOM 11 CA TRP 6 10.907 -7.582 -2.770 +ATOM 12 CB TRP 6 12.951 -7.023 -1.255 +ATOM 13 CA LEU 7 9.536 -9.371 0.289 +ATOM 14 CB LEU 7 8.554 -7.938 1.151 +ATOM 15 CA LYS 8 10.640 -12.710 -1.151 +ATOM 16 CB LYS 8 8.210 -13.375 -1.480 +ATOM 17 CA ASP 9 13.737 -11.174 -2.730 +ATOM 18 CB ASP 9 13.201 -10.336 -4.120 +ATOM 19 CA GLY 10 15.200 -10.285 0.663 +ATOM 20 CA GLY 11 13.193 -8.139 3.074 +ATOM 21 CA PRO 12 11.844 -4.689 2.227 +ATOM 22 CB PRO 12 12.448 -3.958 3.180 +ATOM 23 CA SER 13 14.310 -2.774 0.061 +ATOM 24 CB SER 13 15.254 -2.958 0.690 +ATOM 25 CA SER 14 11.656 -0.348 -1.168 +ATOM 26 CB SER 14 10.589 -0.776 -1.163 +ATOM 27 CA GLY 15 10.597 2.605 0.977 +ATOM 28 CA ARG 16 10.474 0.611 4.209 +ATOM 29 CB ARG 16 8.945 -1.447 2.612 +ATOM 30 CA PRO 17 13.760 0.357 6.100 +ATOM 31 CB PRO 17 12.881 -0.002 7.052 +ATOM 32 CA PRO 18 16.627 -1.544 4.485 +ATOM 33 CB PRO 18 17.414 -0.546 4.927 +ATOM 34 CA PRO 19 17.704 -4.905 5.894 +ATOM 35 CB PRO 19 16.891 -5.305 4.900 +ATOM 36 CA SER 20 21.384 -4.244 5.211 +ATOM 37 CB SER 20 21.559 -3.499 4.353 +TER +CONECT 1 3 2 +CONECT 3 5 4 +CONECT 5 7 6 +CONECT 7 9 8 +CONECT 9 11 10 +CONECT 11 13 12 +CONECT 13 15 14 +CONECT 15 17 16 +CONECT 17 19 18 +CONECT 19 20 +CONECT 20 21 +CONECT 21 23 22 +CONECT 23 25 24 +CONECT 25 27 26 +CONECT 27 28 +CONECT 28 30 29 +CONECT 30 32 31 +CONECT 32 34 33 +CONECT 34 35 +CONECT 36 37 diff --git a/examples/unres/CSA/GAB/CSA/global/unrestrained/CLUSTER/1l2y_csa_GB0000005_010.pdb b/examples/unres/CSA/GAB/CSA/global/unrestrained/CLUSTER/1l2y_csa_GB0000005_010.pdb new file mode 100644 index 0000000..0f64158 --- /dev/null +++ b/examples/unres/CSA/GAB/CSA/global/unrestrained/CLUSTER/1l2y_csa_GB0000005_010.pdb @@ -0,0 +1,59 @@ +REMARK 1l2y ENERGY -8.43400E+01 +ATOM 1 CA ASN 1 3.800 0.000 0.000 +ATOM 2 CB ASN 1 5.444 0.341 0.128 +ATOM 3 CA LEU 2 4.061 -3.791 0.000 +ATOM 4 CB LEU 2 3.802 -5.702 -0.207 +ATOM 5 CA TYR 3 6.126 -3.748 -3.189 +ATOM 6 CB TYR 3 5.299 -5.704 -4.477 +ATOM 7 CA ILE 4 9.347 -3.354 -1.211 +ATOM 8 CB ILE 4 10.097 -1.795 -0.808 +ATOM 9 CA GLN 5 8.116 -5.906 1.321 +ATOM 10 CB GLN 5 7.248 -4.186 2.465 +ATOM 11 CA TRP 6 7.125 -8.223 -1.522 +ATOM 12 CB TRP 6 6.872 -10.462 -2.829 +ATOM 13 CA LEU 7 10.398 -7.471 -3.301 +ATOM 14 CB LEU 7 9.582 -7.011 -4.999 +ATOM 15 CA LYS 8 12.338 -8.432 -0.178 +ATOM 16 CB LYS 8 13.050 -6.045 0.321 +ATOM 17 CA ASP 9 9.839 -11.148 0.728 +ATOM 18 CB ASP 9 8.443 -10.386 1.355 +ATOM 19 CA GLY 10 10.390 -12.961 -2.565 +ATOM 20 CA GLY 11 9.784 -11.377 -5.966 +ATOM 21 CA PRO 12 6.360 -10.248 -7.166 +ATOM 22 CB PRO 12 6.031 -11.465 -7.635 +ATOM 23 CA SER 13 3.437 -11.210 -4.935 +ATOM 24 CB SER 13 3.215 -10.541 -4.027 +ATOM 25 CA SER 14 0.927 -9.376 -7.121 +ATOM 26 CB SER 14 1.359 -8.687 -7.934 +ATOM 27 CA GLY 15 0.251 -12.397 -9.324 +ATOM 28 CA ARG 16 1.771 -15.785 -8.516 +ATOM 29 CB ARG 16 4.247 -16.386 -10.137 +ATOM 30 CA PRO 17 4.859 -16.529 -6.431 +ATOM 31 CB PRO 17 4.158 -17.645 -6.163 +ATOM 32 CA PRO 18 8.210 -16.421 -8.221 +ATOM 33 CB PRO 18 8.550 -15.687 -7.147 +ATOM 34 CA PRO 19 10.024 -19.676 -8.966 +ATOM 35 CB PRO 19 9.678 -19.456 -10.247 +ATOM 36 CA SER 20 13.427 -18.223 -8.102 +ATOM 37 CB SER 20 13.440 -17.073 -8.116 +TER +CONECT 1 3 2 +CONECT 3 5 4 +CONECT 5 7 6 +CONECT 7 9 8 +CONECT 9 11 10 +CONECT 11 13 12 +CONECT 13 15 14 +CONECT 15 17 16 +CONECT 17 19 18 +CONECT 19 20 +CONECT 20 21 +CONECT 21 23 22 +CONECT 23 25 24 +CONECT 25 27 26 +CONECT 27 28 +CONECT 28 30 29 +CONECT 30 32 31 +CONECT 32 34 33 +CONECT 34 35 +CONECT 36 37 diff --git a/examples/unres/CSA/GAB/CSA/global/unrestrained/CLUSTER/1l2y_csa_GB0000005_011.pdb b/examples/unres/CSA/GAB/CSA/global/unrestrained/CLUSTER/1l2y_csa_GB0000005_011.pdb new file mode 100644 index 0000000..0257b9f --- /dev/null +++ b/examples/unres/CSA/GAB/CSA/global/unrestrained/CLUSTER/1l2y_csa_GB0000005_011.pdb @@ -0,0 +1,59 @@ +REMARK 1l2y ENERGY -8.43000E+01 +ATOM 1 CA ASN 1 3.800 0.000 0.000 +ATOM 2 CB ASN 1 5.413 0.437 0.205 +ATOM 3 CA LEU 2 4.055 -3.791 0.000 +ATOM 4 CB LEU 2 3.793 -5.701 -0.206 +ATOM 5 CA TYR 3 5.881 -3.777 -3.333 +ATOM 6 CB TYR 3 5.821 -1.301 -3.524 +ATOM 7 CA ILE 4 9.231 -3.423 -1.574 +ATOM 8 CB ILE 4 9.867 -1.810 -1.187 +ATOM 9 CA GLN 5 8.230 -6.118 0.910 +ATOM 10 CB GLN 5 7.404 -4.604 2.340 +ATOM 11 CA TRP 6 6.868 -8.214 -1.952 +ATOM 12 CB TRP 6 6.623 -9.329 -4.293 +ATOM 13 CA LEU 7 10.114 -7.753 -3.873 +ATOM 14 CB LEU 7 10.007 -6.493 -5.343 +ATOM 15 CA LYS 8 12.134 -8.780 -0.823 +ATOM 16 CB LYS 8 10.047 -8.796 0.626 +ATOM 17 CA ASP 9 11.239 -12.438 -1.333 +ATOM 18 CB ASP 9 9.663 -12.544 -0.681 +ATOM 19 CA GLY 10 9.605 -12.170 -4.753 +ATOM 20 CA GLY 11 6.138 -12.971 -3.421 +ATOM 21 CA PRO 12 2.950 -11.845 -5.155 +ATOM 22 CB PRO 12 2.702 -10.878 -4.254 +ATOM 23 CA SER 13 3.462 -8.873 -7.466 +ATOM 24 CB SER 13 3.731 -9.273 -8.510 +ATOM 25 CA SER 14 1.401 -5.985 -8.828 +ATOM 26 CB SER 14 1.033 -5.238 -8.035 +ATOM 27 CA GLY 15 4.344 -3.925 -10.068 +ATOM 28 CA ARG 16 7.099 -6.262 -8.889 +ATOM 29 CB ARG 16 5.299 -6.403 -6.469 +ATOM 30 CA PRO 17 8.464 -9.280 -10.752 +ATOM 31 CB PRO 17 8.883 -9.460 -9.486 +ATOM 32 CA PRO 18 5.899 -12.038 -11.260 +ATOM 33 CB PRO 18 6.322 -12.007 -12.537 +ATOM 34 CA PRO 19 6.185 -15.318 -9.364 +ATOM 35 CB PRO 19 5.887 -14.566 -8.289 +ATOM 36 CA SER 20 5.348 -17.434 -12.407 +ATOM 37 CB SER 20 4.805 -16.851 -13.236 +TER +CONECT 1 3 2 +CONECT 3 5 4 +CONECT 5 7 6 +CONECT 7 9 8 +CONECT 9 11 10 +CONECT 11 13 12 +CONECT 13 15 14 +CONECT 15 17 16 +CONECT 17 19 18 +CONECT 19 20 +CONECT 20 21 +CONECT 21 23 22 +CONECT 23 25 24 +CONECT 25 27 26 +CONECT 27 28 +CONECT 28 30 29 +CONECT 30 32 31 +CONECT 32 34 33 +CONECT 34 35 +CONECT 36 37 diff --git a/examples/unres/CSA/GAB/CSA/global/unrestrained/CLUSTER/1l2y_csa_GB0000005_012.pdb b/examples/unres/CSA/GAB/CSA/global/unrestrained/CLUSTER/1l2y_csa_GB0000005_012.pdb new file mode 100644 index 0000000..bd2b136 --- /dev/null +++ b/examples/unres/CSA/GAB/CSA/global/unrestrained/CLUSTER/1l2y_csa_GB0000005_012.pdb @@ -0,0 +1,59 @@ +REMARK 1l2y ENERGY -8.42500E+01 +ATOM 1 CA ASN 1 3.800 0.000 0.000 +ATOM 2 CB ASN 1 5.352 0.483 0.439 +ATOM 3 CA LEU 2 4.050 -3.792 0.000 +ATOM 4 CB LEU 2 4.130 -5.646 0.562 +ATOM 5 CA TYR 3 1.532 -4.150 -2.823 +ATOM 6 CB TYR 3 -0.693 -3.063 -2.634 +ATOM 7 CA ILE 4 2.213 -7.877 -3.115 +ATOM 8 CB ILE 4 3.809 -8.580 -3.454 +ATOM 9 CA GLN 5 0.145 -8.457 0.020 +ATOM 10 CB GLN 5 0.010 -6.936 1.658 +ATOM 11 CA TRP 6 -2.481 -6.042 -1.289 +ATOM 12 CB TRP 6 -5.029 -5.593 -0.989 +ATOM 13 CA LEU 7 -2.453 -7.837 -4.638 +ATOM 14 CB LEU 7 -1.914 -6.235 -5.588 +ATOM 15 CA LYS 8 -3.137 -11.144 -2.895 +ATOM 16 CB LYS 8 -0.753 -11.960 -3.227 +ATOM 17 CA ASP 9 -5.508 -9.527 -0.405 +ATOM 18 CB ASP 9 -4.641 -9.028 0.981 +ATOM 19 CA GLY 10 -7.745 -8.156 -3.153 +ATOM 20 CA GLY 11 -6.428 -5.917 -5.927 +ATOM 21 CA PRO 12 -4.886 -2.513 -5.235 +ATOM 22 CB PRO 12 -6.005 -1.894 -5.651 +ATOM 23 CA SER 13 -6.649 -2.044 -1.901 +ATOM 24 CB SER 13 -7.571 -1.554 -1.418 +ATOM 25 CA SER 14 -5.960 -3.062 1.694 +ATOM 26 CB SER 14 -6.533 -2.381 2.423 +ATOM 27 CA GLY 15 -7.134 -6.308 3.283 +ATOM 28 CA ARG 16 -10.835 -5.678 2.693 +ATOM 29 CB ARG 16 -11.082 -3.024 1.272 +ATOM 30 CA PRO 17 -12.058 -5.906 -0.898 +ATOM 31 CB PRO 17 -13.244 -6.115 -0.300 +ATOM 32 CA PRO 18 -11.428 -2.876 -3.103 +ATOM 33 CB PRO 18 -10.323 -3.586 -3.394 +ATOM 34 CA PRO 19 -14.323 -0.753 -4.348 +ATOM 35 CB PRO 19 -13.936 0.248 -3.537 +ATOM 36 CA SER 20 -12.618 -0.057 -7.672 +ATOM 37 CB SER 20 -11.479 -0.183 -7.581 +TER +CONECT 1 3 2 +CONECT 3 5 4 +CONECT 5 7 6 +CONECT 7 9 8 +CONECT 9 11 10 +CONECT 11 13 12 +CONECT 13 15 14 +CONECT 15 17 16 +CONECT 17 19 18 +CONECT 19 20 +CONECT 20 21 +CONECT 21 23 22 +CONECT 23 25 24 +CONECT 25 27 26 +CONECT 27 28 +CONECT 28 30 29 +CONECT 30 32 31 +CONECT 32 34 33 +CONECT 34 35 +CONECT 36 37 diff --git a/examples/unres/CSA/GAB/CSA/global/unrestrained/CLUSTER/1l2y_csa_GB0000006_001.pdb b/examples/unres/CSA/GAB/CSA/global/unrestrained/CLUSTER/1l2y_csa_GB0000006_001.pdb new file mode 100644 index 0000000..d02976a --- /dev/null +++ b/examples/unres/CSA/GAB/CSA/global/unrestrained/CLUSTER/1l2y_csa_GB0000006_001.pdb @@ -0,0 +1,59 @@ +REMARK 1l2y ENERGY -8.75200E+01 +ATOM 1 CA ASN 1 3.800 0.000 0.000 +ATOM 2 CB ASN 1 5.446 0.318 0.160 +ATOM 3 CA LEU 2 4.061 -3.791 0.000 +ATOM 4 CB LEU 2 3.860 -5.714 -0.148 +ATOM 5 CA TYR 3 6.026 -3.759 -3.252 +ATOM 6 CB TYR 3 5.144 -5.451 -4.843 +ATOM 7 CA ILE 4 9.307 -3.442 -1.362 +ATOM 8 CB ILE 4 10.047 -1.891 -0.913 +ATOM 9 CA GLN 5 8.159 -6.061 1.141 +ATOM 10 CB GLN 5 7.378 -4.408 2.434 +ATOM 11 CA TRP 6 7.133 -8.333 -1.727 +ATOM 12 CB TRP 6 5.811 -9.470 -3.663 +ATOM 13 CA LEU 7 10.419 -7.599 -3.489 +ATOM 14 CB LEU 7 9.592 -6.880 -5.089 +ATOM 15 CA LYS 8 12.338 -8.200 -0.265 +ATOM 16 CB LYS 8 12.865 -5.812 0.425 +ATOM 17 CA ASP 9 10.353 -11.348 0.508 +ATOM 18 CB ASP 9 8.710 -11.264 0.046 +ATOM 19 CA GLY 10 11.616 -13.057 -2.642 +ATOM 20 CA GLY 11 8.355 -12.625 -4.545 +ATOM 21 CA PRO 12 8.072 -11.503 -8.164 +ATOM 22 CB PRO 12 7.427 -10.324 -8.111 +ATOM 23 CA SER 13 10.560 -8.721 -8.879 +ATOM 24 CB SER 13 11.613 -9.066 -8.571 +ATOM 25 CA SER 14 8.869 -7.836 -12.165 +ATOM 26 CB SER 14 8.146 -8.651 -12.532 +ATOM 27 CA GLY 15 6.184 -5.797 -10.411 +ATOM 28 CA ARG 16 3.936 -8.781 -9.719 +ATOM 29 CB ARG 16 3.995 -11.799 -9.800 +ATOM 30 CA PRO 17 1.012 -8.854 -7.293 +ATOM 31 CB PRO 17 0.771 -10.020 -7.918 +ATOM 32 CA PRO 18 1.780 -8.666 -3.576 +ATOM 33 CB PRO 18 1.040 -7.548 -3.690 +ATOM 34 CA PRO 19 1.323 -11.776 -1.441 +ATOM 35 CB PRO 19 2.662 -11.764 -1.309 +ATOM 36 CA SER 20 -0.200 -9.838 1.452 +ATOM 37 CB SER 20 0.183 -8.758 1.536 +TER +CONECT 1 3 2 +CONECT 3 5 4 +CONECT 5 7 6 +CONECT 7 9 8 +CONECT 9 11 10 +CONECT 11 13 12 +CONECT 13 15 14 +CONECT 15 17 16 +CONECT 17 19 18 +CONECT 19 20 +CONECT 20 21 +CONECT 21 23 22 +CONECT 23 25 24 +CONECT 25 27 26 +CONECT 27 28 +CONECT 28 30 29 +CONECT 30 32 31 +CONECT 32 34 33 +CONECT 34 35 +CONECT 36 37 diff --git a/examples/unres/CSA/GAB/CSA/global/unrestrained/CLUSTER/1l2y_csa_GB0000006_002.pdb b/examples/unres/CSA/GAB/CSA/global/unrestrained/CLUSTER/1l2y_csa_GB0000006_002.pdb new file mode 100644 index 0000000..d1f373c --- /dev/null +++ b/examples/unres/CSA/GAB/CSA/global/unrestrained/CLUSTER/1l2y_csa_GB0000006_002.pdb @@ -0,0 +1,59 @@ +REMARK 1l2y ENERGY -8.72200E+01 +ATOM 1 CA ASN 1 3.800 0.000 0.000 +ATOM 2 CB ASN 1 5.459 0.286 -0.033 +ATOM 3 CA LEU 2 4.065 -3.791 0.000 +ATOM 4 CB LEU 2 3.901 -5.716 -0.166 +ATOM 5 CA TYR 3 6.421 -3.715 -2.980 +ATOM 6 CB TYR 3 6.683 -1.342 -3.667 +ATOM 7 CA ILE 4 9.392 -3.526 -0.618 +ATOM 8 CB ILE 4 10.261 -2.044 -0.168 +ATOM 9 CA GLN 5 8.066 -6.530 1.295 +ATOM 10 CB GLN 5 7.067 -5.320 2.893 +ATOM 11 CA TRP 6 7.113 -8.223 -1.971 +ATOM 12 CB TRP 6 6.539 -10.747 -1.674 +ATOM 13 CA LEU 7 10.364 -7.114 -3.596 +ATOM 14 CB LEU 7 9.834 -5.569 -4.641 +ATOM 15 CA LYS 8 12.340 -8.414 -0.622 +ATOM 16 CB LYS 8 11.615 -6.884 1.273 +ATOM 17 CA ASP 9 11.499 -11.980 -1.631 +ATOM 18 CB ASP 9 10.374 -11.760 -2.899 +ATOM 19 CA GLY 10 14.684 -12.301 -3.680 +ATOM 20 CA GLY 11 14.450 -8.941 -5.439 +ATOM 21 CA PRO 12 15.400 -5.412 -4.398 +ATOM 22 CB PRO 12 14.529 -4.680 -5.115 +ATOM 23 CA SER 13 14.459 -3.002 -1.615 +ATOM 24 CB SER 13 14.444 -3.495 -0.576 +ATOM 25 CA SER 14 16.428 0.067 -0.544 +ATOM 26 CB SER 14 16.479 0.855 -1.379 +ATOM 27 CA GLY 15 14.926 2.390 2.061 +ATOM 28 CA ARG 16 12.389 3.960 -0.293 +ATOM 29 CB ARG 16 12.212 6.301 -2.192 +ATOM 30 CA PRO 17 9.669 2.089 -2.174 +ATOM 31 CB PRO 17 9.109 3.312 -2.154 +ATOM 32 CA PRO 18 10.437 0.288 -5.431 +ATOM 33 CB PRO 18 11.142 -0.541 -4.641 +ATOM 34 CA PRO 19 7.613 -0.913 -7.671 +ATOM 35 CB PRO 19 7.606 0.285 -8.283 +ATOM 36 CA SER 20 9.856 -3.308 -9.587 +ATOM 37 CB SER 20 10.933 -3.311 -9.185 +TER +CONECT 1 3 2 +CONECT 3 5 4 +CONECT 5 7 6 +CONECT 7 9 8 +CONECT 9 11 10 +CONECT 11 13 12 +CONECT 13 15 14 +CONECT 15 17 16 +CONECT 17 19 18 +CONECT 19 20 +CONECT 20 21 +CONECT 21 23 22 +CONECT 23 25 24 +CONECT 25 27 26 +CONECT 27 28 +CONECT 28 30 29 +CONECT 30 32 31 +CONECT 32 34 33 +CONECT 34 35 +CONECT 36 37 diff --git a/examples/unres/CSA/GAB/CSA/global/unrestrained/CLUSTER/1l2y_csa_GB0000006_003.pdb b/examples/unres/CSA/GAB/CSA/global/unrestrained/CLUSTER/1l2y_csa_GB0000006_003.pdb new file mode 100644 index 0000000..abf9832 --- /dev/null +++ b/examples/unres/CSA/GAB/CSA/global/unrestrained/CLUSTER/1l2y_csa_GB0000006_003.pdb @@ -0,0 +1,59 @@ +REMARK 1l2y ENERGY -8.70700E+01 +ATOM 1 CA ASN 1 3.800 0.000 0.000 +ATOM 2 CB ASN 1 5.437 0.342 0.200 +ATOM 3 CA LEU 2 4.059 -3.791 0.000 +ATOM 4 CB LEU 2 3.798 -5.708 -0.126 +ATOM 5 CA TYR 3 5.642 -3.790 -3.455 +ATOM 6 CB TYR 3 4.667 -5.318 -5.153 +ATOM 7 CA ILE 4 9.100 -3.200 -1.993 +ATOM 8 CB ILE 4 9.731 -1.561 -1.730 +ATOM 9 CA GLN 5 8.398 -5.672 0.807 +ATOM 10 CB GLN 5 7.571 -3.942 1.966 +ATOM 11 CA TRP 6 7.114 -8.175 -1.747 +ATOM 12 CB TRP 6 5.812 -10.083 -2.952 +ATOM 13 CA LEU 7 10.075 -7.419 -4.005 +ATOM 14 CB LEU 7 8.892 -7.399 -5.542 +ATOM 15 CA LYS 8 12.457 -7.655 -1.054 +ATOM 16 CB LYS 8 12.194 -5.461 0.201 +ATOM 17 CA ASP 9 11.122 -11.078 -0.086 +ATOM 18 CB ASP 9 9.421 -11.157 -0.236 +ATOM 19 CA GLY 10 12.043 -12.550 -3.466 +ATOM 20 CA GLY 11 8.486 -12.461 -4.800 +ATOM 21 CA PRO 12 6.753 -12.030 -8.154 +ATOM 22 CB PRO 12 5.827 -11.140 -7.755 +ATOM 23 CA SER 13 8.419 -9.086 -9.885 +ATOM 24 CB SER 13 9.415 -9.302 -10.418 +ATOM 25 CA SER 14 6.125 -9.282 -12.908 +ATOM 26 CB SER 14 5.329 -10.089 -12.719 +ATOM 27 CA GLY 15 3.616 -6.522 -13.633 +ATOM 28 CA ARG 16 0.829 -7.950 -11.481 +ATOM 29 CB ARG 16 1.616 -10.347 -9.822 +ATOM 30 CA PRO 17 0.052 -7.653 -7.773 +ATOM 31 CB PRO 17 -1.175 -7.496 -8.301 +ATOM 32 CA PRO 18 1.680 -10.149 -5.416 +ATOM 33 CB PRO 18 1.824 -9.117 -4.566 +ATOM 34 CA PRO 19 -0.336 -12.957 -3.839 +ATOM 35 CB PRO 19 0.338 -13.724 -4.714 +ATOM 36 CA SER 20 1.420 -12.586 -0.489 +ATOM 37 CB SER 20 2.336 -11.898 -0.591 +TER +CONECT 1 3 2 +CONECT 3 5 4 +CONECT 5 7 6 +CONECT 7 9 8 +CONECT 9 11 10 +CONECT 11 13 12 +CONECT 13 15 14 +CONECT 15 17 16 +CONECT 17 19 18 +CONECT 19 20 +CONECT 20 21 +CONECT 21 23 22 +CONECT 23 25 24 +CONECT 25 27 26 +CONECT 27 28 +CONECT 28 30 29 +CONECT 30 32 31 +CONECT 32 34 33 +CONECT 34 35 +CONECT 36 37 diff --git a/examples/unres/CSA/GAB/CSA/global/unrestrained/CLUSTER/1l2y_csa_GB0000006_004.pdb b/examples/unres/CSA/GAB/CSA/global/unrestrained/CLUSTER/1l2y_csa_GB0000006_004.pdb new file mode 100644 index 0000000..bf13e97 --- /dev/null +++ b/examples/unres/CSA/GAB/CSA/global/unrestrained/CLUSTER/1l2y_csa_GB0000006_004.pdb @@ -0,0 +1,59 @@ +REMARK 1l2y ENERGY -8.70500E+01 +ATOM 1 CA ASN 1 3.800 0.000 0.000 +ATOM 2 CB ASN 1 5.433 0.389 0.136 +ATOM 3 CA LEU 2 4.058 -3.791 0.000 +ATOM 4 CB LEU 2 3.544 -5.656 -0.130 +ATOM 5 CA TYR 3 6.106 -3.754 -3.201 +ATOM 6 CB TYR 3 5.265 -5.773 -4.376 +ATOM 7 CA ILE 4 9.317 -3.219 -1.240 +ATOM 8 CB ILE 4 10.056 -1.638 -0.911 +ATOM 9 CA GLN 5 8.358 -6.017 1.146 +ATOM 10 CB GLN 5 6.853 -7.312 2.182 +ATOM 11 CA TRP 6 7.149 -8.108 -1.787 +ATOM 12 CB TRP 6 5.436 -9.900 -2.588 +ATOM 13 CA LEU 7 10.409 -7.450 -3.625 +ATOM 14 CB LEU 7 9.874 -6.063 -4.870 +ATOM 15 CA LYS 8 12.363 -8.109 -0.433 +ATOM 16 CB LYS 8 12.435 -5.834 0.696 +ATOM 17 CA ASP 9 10.746 -11.531 -0.095 +ATOM 18 CB ASP 9 9.043 -11.404 -0.156 +ATOM 19 CA GLY 10 11.283 -12.300 -3.777 +ATOM 20 CA GLY 11 7.595 -12.717 -4.591 +ATOM 21 CA PRO 12 5.716 -12.291 -7.866 +ATOM 22 CB PRO 12 4.489 -12.322 -7.314 +ATOM 23 CA SER 13 6.370 -8.634 -8.662 +ATOM 24 CB SER 13 7.029 -8.652 -7.720 +ATOM 25 CA SER 14 5.020 -8.902 -12.204 +ATOM 26 CB SER 14 4.287 -9.784 -12.292 +ATOM 27 CA GLY 15 2.543 -6.212 -13.240 +ATOM 28 CA ARG 16 -0.346 -7.573 -11.181 +ATOM 29 CB ARG 16 0.190 -10.225 -9.838 +ATOM 30 CA PRO 17 -0.922 -7.429 -7.427 +ATOM 31 CB PRO 17 -2.165 -7.193 -7.885 +ATOM 32 CA PRO 18 0.764 -10.073 -5.282 +ATOM 33 CB PRO 18 1.073 -9.055 -4.459 +ATOM 34 CA PRO 19 -1.277 -12.875 -3.724 +ATOM 35 CB PRO 19 -0.597 -13.608 -4.624 +ATOM 36 CA SER 20 0.498 -12.556 -0.379 +ATOM 37 CB SER 20 1.377 -11.818 -0.444 +TER +CONECT 1 3 2 +CONECT 3 5 4 +CONECT 5 7 6 +CONECT 7 9 8 +CONECT 9 11 10 +CONECT 11 13 12 +CONECT 13 15 14 +CONECT 15 17 16 +CONECT 17 19 18 +CONECT 19 20 +CONECT 20 21 +CONECT 21 23 22 +CONECT 23 25 24 +CONECT 25 27 26 +CONECT 27 28 +CONECT 28 30 29 +CONECT 30 32 31 +CONECT 32 34 33 +CONECT 34 35 +CONECT 36 37 diff --git a/examples/unres/CSA/GAB/CSA/global/unrestrained/CLUSTER/1l2y_csa_GB0000006_005.pdb b/examples/unres/CSA/GAB/CSA/global/unrestrained/CLUSTER/1l2y_csa_GB0000006_005.pdb new file mode 100644 index 0000000..58cff5e --- /dev/null +++ b/examples/unres/CSA/GAB/CSA/global/unrestrained/CLUSTER/1l2y_csa_GB0000006_005.pdb @@ -0,0 +1,59 @@ +REMARK 1l2y ENERGY -8.64100E+01 +ATOM 1 CA ASN 1 3.800 0.000 0.000 +ATOM 2 CB ASN 1 5.463 0.267 -0.013 +ATOM 3 CA LEU 2 4.066 -3.791 0.000 +ATOM 4 CB LEU 2 3.778 -5.701 -0.163 +ATOM 5 CA TYR 3 6.388 -3.721 -3.007 +ATOM 6 CB TYR 3 5.745 -5.840 -4.133 +ATOM 7 CA ILE 4 9.416 -3.438 -0.729 +ATOM 8 CB ILE 4 10.257 -1.942 -0.271 +ATOM 9 CA GLN 5 8.053 -6.237 1.450 +ATOM 10 CB GLN 5 7.066 -4.691 2.736 +ATOM 11 CA TRP 6 7.125 -8.220 -1.656 +ATOM 12 CB TRP 6 7.109 -10.380 -3.112 +ATOM 13 CA LEU 7 10.571 -7.611 -3.138 +ATOM 14 CB LEU 7 10.522 -6.017 -4.241 +ATOM 15 CA LYS 8 12.174 -8.938 0.041 +ATOM 16 CB LYS 8 12.858 -6.600 0.763 +ATOM 17 CA ASP 9 9.610 -11.733 0.267 +ATOM 18 CB ASP 9 8.177 -11.055 0.907 +ATOM 19 CA GLY 10 10.678 -13.265 -3.042 +ATOM 20 CA GLY 11 8.017 -15.978 -3.015 +ATOM 21 CA PRO 12 6.783 -17.481 -6.280 +ATOM 22 CB PRO 12 5.654 -16.818 -5.970 +ATOM 23 CA SER 13 8.714 -15.389 -8.797 +ATOM 24 CB SER 13 8.998 -14.823 -7.837 +ATOM 25 CA SER 14 7.729 -14.889 -12.433 +ATOM 26 CB SER 14 6.839 -14.170 -12.546 +ATOM 27 CA GLY 15 10.486 -12.422 -13.302 +ATOM 28 CA ARG 16 9.165 -9.673 -11.035 +ATOM 29 CB ARG 16 10.008 -7.018 -9.869 +ATOM 30 CA PRO 17 7.874 -10.762 -7.631 +ATOM 31 CB PRO 17 8.016 -9.471 -7.283 +ATOM 32 CA PRO 18 4.314 -12.027 -7.220 +ATOM 33 CB PRO 18 4.789 -12.975 -8.047 +ATOM 34 CA PRO 19 2.645 -12.547 -3.846 +ATOM 35 CB PRO 19 2.966 -11.282 -3.523 +ATOM 36 CA SER 20 0.748 -15.632 -4.999 +ATOM 37 CB SER 20 0.560 -15.678 -6.132 +TER +CONECT 1 3 2 +CONECT 3 5 4 +CONECT 5 7 6 +CONECT 7 9 8 +CONECT 9 11 10 +CONECT 11 13 12 +CONECT 13 15 14 +CONECT 15 17 16 +CONECT 17 19 18 +CONECT 19 20 +CONECT 20 21 +CONECT 21 23 22 +CONECT 23 25 24 +CONECT 25 27 26 +CONECT 27 28 +CONECT 28 30 29 +CONECT 30 32 31 +CONECT 32 34 33 +CONECT 34 35 +CONECT 36 37 diff --git a/examples/unres/CSA/GAB/CSA/global/unrestrained/CLUSTER/1l2y_csa_GB0000006_006.pdb b/examples/unres/CSA/GAB/CSA/global/unrestrained/CLUSTER/1l2y_csa_GB0000006_006.pdb new file mode 100644 index 0000000..0376b68 --- /dev/null +++ b/examples/unres/CSA/GAB/CSA/global/unrestrained/CLUSTER/1l2y_csa_GB0000006_006.pdb @@ -0,0 +1,59 @@ +REMARK 1l2y ENERGY -8.60900E+01 +ATOM 1 CA ASN 1 3.800 0.000 0.000 +ATOM 2 CB ASN 1 5.390 0.500 0.241 +ATOM 3 CA LEU 2 4.052 -3.792 0.000 +ATOM 4 CB LEU 2 3.379 -5.610 -0.030 +ATOM 5 CA TYR 3 5.721 -3.883 -3.413 +ATOM 6 CB TYR 3 6.362 -1.484 -3.340 +ATOM 7 CA ILE 4 9.204 -4.861 -4.576 +ATOM 8 CB ILE 4 8.832 -6.350 -5.470 +ATOM 9 CA GLN 5 10.194 -1.258 -5.267 +ATOM 10 CB GLN 5 9.984 0.971 -5.202 +ATOM 11 CA TRP 6 10.222 -0.490 -1.546 +ATOM 12 CB TRP 6 8.756 -2.136 -0.157 +ATOM 13 CA LEU 7 12.586 -3.391 -0.883 +ATOM 14 CB LEU 7 12.002 -5.210 -0.555 +ATOM 15 CA LYS 8 15.487 -1.539 -2.495 +ATOM 16 CB LYS 8 14.445 0.777 -2.542 +ATOM 17 CA ASP 9 18.046 -3.550 -0.533 +ATOM 18 CB ASP 9 17.119 -4.581 0.466 +ATOM 19 CA GLY 10 18.416 -6.061 -3.360 +ATOM 20 CA GLY 11 14.926 -7.507 -2.949 +ATOM 21 CA PRO 12 12.613 -9.700 -5.018 +ATOM 22 CB PRO 12 11.931 -9.709 -3.858 +ATOM 23 CA SER 13 12.033 -8.428 -8.551 +ATOM 24 CB SER 13 12.887 -8.626 -9.296 +ATOM 25 CA SER 14 9.801 -11.347 -9.518 +ATOM 26 CB SER 14 9.591 -12.032 -8.619 +ATOM 27 CA GLY 15 6.173 -10.427 -10.179 +ATOM 28 CA ARG 16 4.920 -11.185 -6.672 +ATOM 29 CB ARG 16 7.158 -11.703 -4.712 +ATOM 30 CA PRO 17 4.740 -9.098 -3.502 +ATOM 31 CB PRO 17 3.609 -9.814 -3.372 +ATOM 32 CA PRO 18 7.909 -8.862 -1.418 +ATOM 33 CB PRO 18 7.621 -7.549 -1.374 +ATOM 34 CA PRO 19 8.192 -10.680 1.907 +ATOM 35 CB PRO 19 9.363 -10.998 1.329 +ATOM 36 CA SER 20 8.605 -7.453 3.871 +ATOM 37 CB SER 20 8.970 -6.598 3.195 +TER +CONECT 1 3 2 +CONECT 3 5 4 +CONECT 5 7 6 +CONECT 7 9 8 +CONECT 9 11 10 +CONECT 11 13 12 +CONECT 13 15 14 +CONECT 15 17 16 +CONECT 17 19 18 +CONECT 19 20 +CONECT 20 21 +CONECT 21 23 22 +CONECT 23 25 24 +CONECT 25 27 26 +CONECT 27 28 +CONECT 28 30 29 +CONECT 30 32 31 +CONECT 32 34 33 +CONECT 34 35 +CONECT 36 37 diff --git a/examples/unres/CSA/GAB/CSA/global/unrestrained/CLUSTER/1l2y_csa_GB0000006_007.pdb b/examples/unres/CSA/GAB/CSA/global/unrestrained/CLUSTER/1l2y_csa_GB0000006_007.pdb new file mode 100644 index 0000000..323af0f --- /dev/null +++ b/examples/unres/CSA/GAB/CSA/global/unrestrained/CLUSTER/1l2y_csa_GB0000006_007.pdb @@ -0,0 +1,59 @@ +REMARK 1l2y ENERGY -8.55600E+01 +ATOM 1 CA ASN 1 3.800 0.000 0.000 +ATOM 2 CB ASN 1 5.415 0.433 0.201 +ATOM 3 CA LEU 2 4.056 -3.791 0.000 +ATOM 4 CB LEU 2 4.004 -5.700 -0.337 +ATOM 5 CA TYR 3 5.828 -3.762 -3.361 +ATOM 6 CB TYR 3 5.452 -1.316 -3.574 +ATOM 7 CA ILE 4 9.174 -3.227 -1.641 +ATOM 8 CB ILE 4 9.849 -1.616 -1.320 +ATOM 9 CA GLN 5 8.381 -6.010 0.821 +ATOM 10 CB GLN 5 7.542 -4.485 2.231 +ATOM 11 CA TRP 6 7.170 -8.193 -2.043 +ATOM 12 CB TRP 6 6.730 -10.264 -3.562 +ATOM 13 CA LEU 7 10.127 -7.130 -4.179 +ATOM 14 CB LEU 7 8.868 -6.448 -5.487 +ATOM 15 CA LYS 8 12.517 -7.832 -1.309 +ATOM 16 CB LYS 8 12.969 -5.474 -0.475 +ATOM 17 CA ASP 9 10.890 -11.203 -0.651 +ATOM 18 CB ASP 9 9.278 -10.945 -0.147 +ATOM 19 CA GLY 10 10.581 -12.022 -4.349 +ATOM 20 CA GLY 11 8.723 -15.076 -5.637 +ATOM 21 CA PRO 12 7.899 -15.590 -9.311 +ATOM 22 CB PRO 12 6.599 -15.724 -8.993 +ATOM 23 CA SER 13 7.045 -11.920 -9.802 +ATOM 24 CB SER 13 6.548 -11.464 -8.870 +ATOM 25 CA SER 14 10.606 -10.771 -9.137 +ATOM 26 CB SER 14 10.467 -11.736 -8.527 +ATOM 27 CA GLY 15 10.521 -7.849 -11.566 +ATOM 28 CA ARG 16 6.741 -7.579 -11.845 +ATOM 29 CB ARG 16 4.975 -10.026 -11.959 +ATOM 30 CA PRO 17 4.337 -6.510 -9.103 +ATOM 31 CB PRO 17 3.565 -6.329 -10.189 +ATOM 32 CA PRO 18 4.129 -8.947 -6.196 +ATOM 33 CB PRO 18 4.107 -7.833 -5.443 +ATOM 34 CA PRO 19 1.289 -11.438 -5.785 +ATOM 35 CB PRO 19 2.203 -12.270 -6.315 +ATOM 36 CA SER 20 1.634 -11.509 -2.001 +ATOM 37 CB SER 20 2.746 -11.366 -1.748 +TER +CONECT 1 3 2 +CONECT 3 5 4 +CONECT 5 7 6 +CONECT 7 9 8 +CONECT 9 11 10 +CONECT 11 13 12 +CONECT 13 15 14 +CONECT 15 17 16 +CONECT 17 19 18 +CONECT 19 20 +CONECT 20 21 +CONECT 21 23 22 +CONECT 23 25 24 +CONECT 25 27 26 +CONECT 27 28 +CONECT 28 30 29 +CONECT 30 32 31 +CONECT 32 34 33 +CONECT 34 35 +CONECT 36 37 diff --git a/examples/unres/CSA/GAB/CSA/global/unrestrained/CLUSTER/1l2y_csa_GB0000006_008.pdb b/examples/unres/CSA/GAB/CSA/global/unrestrained/CLUSTER/1l2y_csa_GB0000006_008.pdb new file mode 100644 index 0000000..aa9cba6 --- /dev/null +++ b/examples/unres/CSA/GAB/CSA/global/unrestrained/CLUSTER/1l2y_csa_GB0000006_008.pdb @@ -0,0 +1,59 @@ +REMARK 1l2y ENERGY -8.54100E+01 +ATOM 1 CA ASN 1 3.800 0.000 0.000 +ATOM 2 CB ASN 1 5.411 0.488 0.054 +ATOM 3 CA LEU 2 4.056 -3.791 0.000 +ATOM 4 CB LEU 2 3.983 -5.715 -0.235 +ATOM 5 CA TYR 3 6.338 -3.733 -3.038 +ATOM 6 CB TYR 3 6.522 -1.286 -3.421 +ATOM 7 CA ILE 4 9.359 -3.529 -0.741 +ATOM 8 CB ILE 4 10.008 -1.940 -0.285 +ATOM 9 CA GLN 5 8.118 -6.578 1.157 +ATOM 10 CB GLN 5 7.187 -5.375 2.800 +ATOM 11 CA TRP 6 7.148 -8.240 -2.120 +ATOM 12 CB TRP 6 6.624 -10.787 -1.964 +ATOM 13 CA LEU 7 10.424 -7.163 -3.717 +ATOM 14 CB LEU 7 9.731 -5.669 -4.740 +ATOM 15 CA LYS 8 12.357 -8.462 -0.715 +ATOM 16 CB LYS 8 11.780 -6.748 1.069 +ATOM 17 CA ASP 9 11.428 -12.033 -1.625 +ATOM 18 CB ASP 9 10.404 -11.882 -2.985 +ATOM 19 CA GLY 10 14.601 -12.490 -3.665 +ATOM 20 CA GLY 11 14.276 -9.289 -5.686 +ATOM 21 CA PRO 12 15.688 -5.852 -4.888 +ATOM 22 CB PRO 12 14.658 -5.032 -4.610 +ATOM 23 CA SER 13 16.190 -5.241 -1.171 +ATOM 24 CB SER 13 17.276 -5.144 -0.803 +ATOM 25 CA SER 14 15.313 -1.544 -1.195 +ATOM 26 CB SER 14 14.333 -1.349 -1.763 +ATOM 27 CA GLY 15 14.486 0.686 1.768 +ATOM 28 CA ARG 16 12.809 3.378 -0.325 +ATOM 29 CB ARG 16 13.244 5.702 -2.205 +ATOM 30 CA PRO 17 9.641 2.498 -2.231 +ATOM 31 CB PRO 17 9.424 3.820 -2.106 +ATOM 32 CA PRO 18 9.897 0.901 -5.669 +ATOM 33 CB PRO 18 10.357 -0.159 -4.980 +ATOM 34 CA PRO 19 6.755 0.862 -7.806 +ATOM 35 CB PRO 19 6.627 2.172 -7.525 +ATOM 36 CA SER 20 7.690 -2.374 -9.563 +ATOM 37 CB SER 20 8.782 -2.697 -9.400 +TER +CONECT 1 3 2 +CONECT 3 5 4 +CONECT 5 7 6 +CONECT 7 9 8 +CONECT 9 11 10 +CONECT 11 13 12 +CONECT 13 15 14 +CONECT 15 17 16 +CONECT 17 19 18 +CONECT 19 20 +CONECT 20 21 +CONECT 21 23 22 +CONECT 23 25 24 +CONECT 25 27 26 +CONECT 27 28 +CONECT 28 30 29 +CONECT 30 32 31 +CONECT 32 34 33 +CONECT 34 35 +CONECT 36 37 diff --git a/examples/unres/CSA/GAB/CSA/global/unrestrained/CLUSTER/1l2y_csa_GB0000006_009.pdb b/examples/unres/CSA/GAB/CSA/global/unrestrained/CLUSTER/1l2y_csa_GB0000006_009.pdb new file mode 100644 index 0000000..de9a3a8 --- /dev/null +++ b/examples/unres/CSA/GAB/CSA/global/unrestrained/CLUSTER/1l2y_csa_GB0000006_009.pdb @@ -0,0 +1,59 @@ +REMARK 1l2y ENERGY -8.52300E+01 +ATOM 1 CA ASN 1 3.800 0.000 0.000 +ATOM 2 CB ASN 1 5.424 0.433 0.108 +ATOM 3 CA LEU 2 4.057 -3.791 0.000 +ATOM 4 CB LEU 2 4.218 -5.720 -0.122 +ATOM 5 CA TYR 3 6.214 -3.731 -3.128 +ATOM 6 CB TYR 3 6.537 -1.289 -3.448 +ATOM 7 CA ILE 4 9.363 -3.643 -1.003 +ATOM 8 CB ILE 4 9.990 -1.989 -0.845 +ATOM 9 CA GLN 5 7.971 -6.380 1.235 +ATOM 10 CB GLN 5 7.376 -8.191 2.411 +ATOM 11 CA TRP 6 7.587 -8.666 -1.777 +ATOM 12 CB TRP 6 7.794 -7.363 -4.023 +ATOM 13 CA LEU 7 11.333 -8.499 -2.393 +ATOM 14 CB LEU 7 12.196 -6.958 -3.193 +ATOM 15 CA LYS 8 12.019 -10.757 0.586 +ATOM 16 CB LYS 8 9.654 -11.687 0.611 +ATOM 17 CA ASP 9 15.508 -11.599 -0.662 +ATOM 18 CB ASP 9 15.674 -10.706 -2.110 +ATOM 19 CA GLY 10 17.061 -8.931 1.554 +ATOM 20 CA GLY 11 15.609 -6.015 -0.403 +ATOM 21 CA PRO 12 15.115 -2.288 0.151 +ATOM 22 CB PRO 12 14.728 -2.357 -1.135 +ATOM 23 CA SER 13 13.187 -1.126 3.212 +ATOM 24 CB SER 13 13.797 -1.050 4.184 +ATOM 25 CA SER 14 13.315 2.538 2.212 +ATOM 26 CB SER 14 13.865 2.637 1.206 +ATOM 27 CA GLY 15 10.240 4.422 1.015 +ATOM 28 CA ARG 16 11.060 4.176 -2.687 +ATOM 29 CB ARG 16 13.194 2.136 -3.322 +ATOM 30 CA PRO 17 9.948 1.519 -5.167 +ATOM 31 CB PRO 17 9.926 2.615 -5.947 +ATOM 32 CA PRO 18 11.868 -1.760 -5.133 +ATOM 33 CB PRO 18 10.677 -2.373 -5.246 +ATOM 34 CA PRO 19 14.224 -2.662 -7.975 +ATOM 35 CB PRO 19 15.030 -2.806 -6.908 +ATOM 36 CA SER 20 12.279 -5.813 -8.826 +ATOM 37 CB SER 20 11.617 -6.139 -7.943 +TER +CONECT 1 3 2 +CONECT 3 5 4 +CONECT 5 7 6 +CONECT 7 9 8 +CONECT 9 11 10 +CONECT 11 13 12 +CONECT 13 15 14 +CONECT 15 17 16 +CONECT 17 19 18 +CONECT 19 20 +CONECT 20 21 +CONECT 21 23 22 +CONECT 23 25 24 +CONECT 25 27 26 +CONECT 27 28 +CONECT 28 30 29 +CONECT 30 32 31 +CONECT 32 34 33 +CONECT 34 35 +CONECT 36 37 diff --git a/examples/unres/CSA/GAB/CSA/global/unrestrained/CLUSTER/1l2y_csa_GB0000006_010.pdb b/examples/unres/CSA/GAB/CSA/global/unrestrained/CLUSTER/1l2y_csa_GB0000006_010.pdb new file mode 100644 index 0000000..fbf1da6 --- /dev/null +++ b/examples/unres/CSA/GAB/CSA/global/unrestrained/CLUSTER/1l2y_csa_GB0000006_010.pdb @@ -0,0 +1,59 @@ +REMARK 1l2y ENERGY -8.52100E+01 +ATOM 1 CA ASN 1 3.800 0.000 0.000 +ATOM 2 CB ASN 1 5.422 0.437 0.118 +ATOM 3 CA LEU 2 4.057 -3.791 0.000 +ATOM 4 CB LEU 2 3.546 -5.602 -0.469 +ATOM 5 CA TYR 3 6.175 -3.743 -3.154 +ATOM 6 CB TYR 3 6.134 -1.301 -3.606 +ATOM 7 CA ILE 4 9.346 -3.143 -1.149 +ATOM 8 CB ILE 4 10.069 -1.536 -0.926 +ATOM 9 CA GLN 5 8.348 -5.827 1.350 +ATOM 10 CB GLN 5 7.068 -4.445 2.562 +ATOM 11 CA TRP 6 7.237 -8.096 -1.488 +ATOM 12 CB TRP 6 5.681 -10.033 -2.272 +ATOM 13 CA LEU 7 10.393 -7.316 -3.455 +ATOM 14 CB LEU 7 9.355 -6.240 -4.690 +ATOM 15 CA LYS 8 12.494 -7.762 -0.321 +ATOM 16 CB LYS 8 11.987 -5.722 1.107 +ATOM 17 CA ASP 9 11.069 -11.241 0.226 +ATOM 18 CB ASP 9 9.360 -11.205 0.199 +ATOM 19 CA GLY 10 11.730 -12.246 -3.379 +ATOM 20 CA GLY 11 8.074 -12.762 -4.277 +ATOM 21 CA PRO 12 6.199 -12.743 -7.582 +ATOM 22 CB PRO 12 5.021 -12.405 -7.029 +ATOM 23 CA SER 13 6.917 -9.347 -9.127 +ATOM 24 CB SER 13 7.076 -8.986 -8.047 +ATOM 25 CA SER 14 5.184 -10.150 -12.412 +ATOM 26 CB SER 14 4.218 -10.745 -12.225 +ATOM 27 CA GLY 15 3.504 -7.124 -13.980 +ATOM 28 CA ARG 16 0.777 -6.876 -11.346 +ATOM 29 CB ARG 16 0.895 -9.316 -9.571 +ATOM 30 CA PRO 17 1.510 -5.926 -7.740 +ATOM 31 CB PRO 17 0.308 -5.346 -7.914 +ATOM 32 CA PRO 18 2.898 -8.668 -5.506 +ATOM 33 CB PRO 18 3.817 -7.752 -5.149 +ATOM 34 CA PRO 19 0.863 -10.222 -2.698 +ATOM 35 CB PRO 19 0.480 -11.022 -3.709 +ATOM 36 CA SER 20 2.669 -11.053 0.540 +ATOM 37 CB SER 20 2.262 -10.434 1.420 +TER +CONECT 1 3 2 +CONECT 3 5 4 +CONECT 5 7 6 +CONECT 7 9 8 +CONECT 9 11 10 +CONECT 11 13 12 +CONECT 13 15 14 +CONECT 15 17 16 +CONECT 17 19 18 +CONECT 19 20 +CONECT 20 21 +CONECT 21 23 22 +CONECT 23 25 24 +CONECT 25 27 26 +CONECT 27 28 +CONECT 28 30 29 +CONECT 30 32 31 +CONECT 32 34 33 +CONECT 34 35 +CONECT 36 37 diff --git a/examples/unres/CSA/GAB/CSA/global/unrestrained/CLUSTER/1l2y_csa_GB0000006_011.pdb b/examples/unres/CSA/GAB/CSA/global/unrestrained/CLUSTER/1l2y_csa_GB0000006_011.pdb new file mode 100644 index 0000000..80572dc --- /dev/null +++ b/examples/unres/CSA/GAB/CSA/global/unrestrained/CLUSTER/1l2y_csa_GB0000006_011.pdb @@ -0,0 +1,59 @@ +REMARK 1l2y ENERGY -8.51200E+01 +ATOM 1 CA ASN 1 3.800 0.000 0.000 +ATOM 2 CB ASN 1 5.461 0.267 0.071 +ATOM 3 CA LEU 2 4.064 -3.791 0.000 +ATOM 4 CB LEU 2 3.980 -5.721 -0.168 +ATOM 5 CA TYR 3 6.249 -3.730 -3.108 +ATOM 6 CB TYR 3 5.586 -5.623 -4.574 +ATOM 7 CA ILE 4 9.368 -3.572 -0.942 +ATOM 8 CB ILE 4 10.144 -2.108 -0.302 +ATOM 9 CA GLN 5 8.147 -6.600 1.001 +ATOM 10 CB GLN 5 7.400 -5.206 2.587 +ATOM 11 CA TRP 6 6.970 -8.199 -2.239 +ATOM 12 CB TRP 6 6.238 -10.368 -3.483 +ATOM 13 CA LEU 7 10.419 -7.670 -3.743 +ATOM 14 CB LEU 7 10.108 -6.073 -4.799 +ATOM 15 CA LYS 8 11.934 -9.651 -0.876 +ATOM 16 CB LYS 8 12.299 -7.457 0.352 +ATOM 17 CA ASP 9 9.520 -12.496 -1.598 +ATOM 18 CB ASP 9 8.150 -12.266 -0.602 +ATOM 19 CA GLY 10 10.524 -12.567 -5.263 +ATOM 20 CA GLY 11 7.797 -14.972 -6.366 +ATOM 21 CA PRO 12 5.593 -13.142 -8.863 +ATOM 22 CB PRO 12 4.586 -12.391 -8.383 +ATOM 23 CA SER 13 6.939 -9.739 -7.839 +ATOM 24 CB SER 13 7.795 -9.708 -7.072 +ATOM 25 CA SER 14 8.949 -9.396 -11.045 +ATOM 26 CB SER 14 8.764 -10.216 -11.830 +ATOM 27 CA GLY 15 6.590 -6.756 -12.425 +ATOM 28 CA ARG 16 3.388 -8.338 -11.126 +ATOM 29 CB ARG 16 4.770 -10.851 -12.074 +ATOM 30 CA PRO 17 1.386 -8.082 -7.906 +ATOM 31 CB PRO 17 0.410 -8.350 -8.791 +ATOM 32 CA PRO 18 2.424 -10.011 -4.801 +ATOM 33 CB PRO 18 2.101 -8.885 -4.141 +ATOM 34 CA PRO 19 0.443 -13.077 -3.745 +ATOM 35 CB PRO 19 1.356 -13.666 -4.538 +ATOM 36 CA SER 20 0.938 -12.336 -0.051 +ATOM 37 CB SER 20 1.780 -11.565 0.089 +TER +CONECT 1 3 2 +CONECT 3 5 4 +CONECT 5 7 6 +CONECT 7 9 8 +CONECT 9 11 10 +CONECT 11 13 12 +CONECT 13 15 14 +CONECT 15 17 16 +CONECT 17 19 18 +CONECT 19 20 +CONECT 20 21 +CONECT 21 23 22 +CONECT 23 25 24 +CONECT 25 27 26 +CONECT 27 28 +CONECT 28 30 29 +CONECT 30 32 31 +CONECT 32 34 33 +CONECT 34 35 +CONECT 36 37 diff --git a/examples/unres/CSA/GAB/CSA/global/unrestrained/CLUSTER/1l2y_csa_GB0000006_012.pdb b/examples/unres/CSA/GAB/CSA/global/unrestrained/CLUSTER/1l2y_csa_GB0000006_012.pdb new file mode 100644 index 0000000..71c050f --- /dev/null +++ b/examples/unres/CSA/GAB/CSA/global/unrestrained/CLUSTER/1l2y_csa_GB0000006_012.pdb @@ -0,0 +1,59 @@ +REMARK 1l2y ENERGY -8.51100E+01 +ATOM 1 CA ASN 1 3.800 0.000 0.000 +ATOM 2 CB ASN 1 5.443 0.224 0.295 +ATOM 3 CA LEU 2 4.062 -3.791 0.000 +ATOM 4 CB LEU 2 3.535 -5.626 0.341 +ATOM 5 CA TYR 3 5.342 -3.915 -3.576 +ATOM 6 CB TYR 3 5.357 -1.431 -3.530 +ATOM 7 CA ILE 4 8.960 -4.442 -4.613 +ATOM 8 CB ILE 4 9.312 -6.103 -5.135 +ATOM 9 CA GLN 5 9.298 -0.889 -5.917 +ATOM 10 CB GLN 5 7.996 0.916 -6.172 +ATOM 11 CA TRP 6 8.567 0.506 -2.458 +ATOM 12 CB TRP 6 8.613 3.077 -2.041 +ATOM 13 CA LEU 7 10.230 -2.472 -0.781 +ATOM 14 CB LEU 7 8.905 -3.407 0.282 +ATOM 15 CA LYS 8 13.486 -1.746 -2.601 +ATOM 16 CB LYS 8 12.639 -2.113 -4.969 +ATOM 17 CA ASP 9 13.955 1.343 -0.439 +ATOM 18 CB ASP 9 12.356 1.469 0.153 +ATOM 19 CA GLY 10 15.852 -0.606 2.214 +ATOM 20 CA GLY 11 13.547 -3.623 2.364 +ATOM 21 CA PRO 12 13.281 -6.799 0.295 +ATOM 22 CB PRO 12 11.973 -7.031 0.506 +ATOM 23 CA SER 13 12.818 -7.507 -3.410 +ATOM 24 CB SER 13 13.584 -6.914 -4.030 +ATOM 25 CA SER 14 13.246 -10.767 -5.315 +ATOM 26 CB SER 14 12.587 -11.589 -4.855 +ATOM 27 CA GLY 15 11.615 -11.092 -8.732 +ATOM 28 CA ARG 16 8.165 -11.867 -7.340 +ATOM 29 CB ARG 16 8.459 -12.450 -4.392 +ATOM 30 CA PRO 17 6.155 -9.530 -5.119 +ATOM 31 CB PRO 17 5.161 -10.144 -5.786 +ATOM 32 CA PRO 18 7.150 -9.422 -1.454 +ATOM 33 CB PRO 18 7.099 -8.087 -1.607 +ATOM 34 CA PRO 19 4.883 -10.881 1.224 +ATOM 35 CB PRO 19 5.773 -11.890 1.254 +ATOM 36 CA SER 20 5.668 -8.073 3.662 +ATOM 37 CB SER 20 6.654 -7.848 3.115 +TER +CONECT 1 3 2 +CONECT 3 5 4 +CONECT 5 7 6 +CONECT 7 9 8 +CONECT 9 11 10 +CONECT 11 13 12 +CONECT 13 15 14 +CONECT 15 17 16 +CONECT 17 19 18 +CONECT 19 20 +CONECT 20 21 +CONECT 21 23 22 +CONECT 23 25 24 +CONECT 25 27 26 +CONECT 27 28 +CONECT 28 30 29 +CONECT 30 32 31 +CONECT 32 34 33 +CONECT 34 35 +CONECT 36 37 diff --git a/examples/unres/CSA/GAB/CSA/global/unrestrained/CLUSTER/1l2y_csa_GB0000006_013.pdb b/examples/unres/CSA/GAB/CSA/global/unrestrained/CLUSTER/1l2y_csa_GB0000006_013.pdb new file mode 100644 index 0000000..164335f --- /dev/null +++ b/examples/unres/CSA/GAB/CSA/global/unrestrained/CLUSTER/1l2y_csa_GB0000006_013.pdb @@ -0,0 +1,59 @@ +REMARK 1l2y ENERGY -8.50200E+01 +ATOM 1 CA ASN 1 3.800 0.000 0.000 +ATOM 2 CB ASN 1 5.428 0.401 0.160 +ATOM 3 CA LEU 2 4.058 -3.791 0.000 +ATOM 4 CB LEU 2 3.938 -5.696 -0.344 +ATOM 5 CA TYR 3 6.026 -3.747 -3.250 +ATOM 6 CB TYR 3 5.726 -1.304 -3.588 +ATOM 7 CA ILE 4 9.281 -3.278 -1.348 +ATOM 8 CB ILE 4 10.022 -1.702 -0.999 +ATOM 9 CA GLN 5 8.310 -6.085 1.023 +ATOM 10 CB GLN 5 7.372 -4.569 2.379 +ATOM 11 CA TRP 6 7.140 -8.171 -1.929 +ATOM 12 CB TRP 6 6.867 -10.562 -2.926 +ATOM 13 CA LEU 7 10.300 -7.303 -3.852 +ATOM 14 CB LEU 7 9.134 -6.348 -5.071 +ATOM 15 CA LYS 8 12.396 -8.425 -0.887 +ATOM 16 CB LYS 8 12.920 -6.076 -0.074 +ATOM 17 CA ASP 9 10.247 -11.534 -0.493 +ATOM 18 CB ASP 9 8.931 -11.099 0.507 +ATOM 19 CA GLY 10 10.965 -12.660 -4.050 +ATOM 20 CA GLY 11 9.015 -15.914 -3.829 +ATOM 21 CA PRO 12 7.255 -17.719 -6.672 +ATOM 22 CB PRO 12 6.042 -17.701 -6.092 +ATOM 23 CA SER 13 6.388 -14.501 -8.498 +ATOM 24 CB SER 13 6.259 -13.631 -7.757 +ATOM 25 CA SER 14 8.151 -12.200 -10.955 +ATOM 26 CB SER 14 7.423 -11.721 -11.705 +ATOM 27 CA GLY 15 9.396 -8.911 -9.516 +ATOM 28 CA ARG 16 5.970 -7.726 -8.375 +ATOM 29 CB ARG 16 4.455 -10.237 -9.097 +ATOM 30 CA PRO 17 4.183 -9.257 -5.392 +ATOM 31 CB PRO 17 4.250 -7.962 -5.034 +ATOM 32 CA PRO 18 1.663 -12.081 -5.733 +ATOM 33 CB PRO 18 2.541 -13.075 -5.512 +ATOM 34 CA PRO 19 0.160 -11.787 -2.255 +ATOM 35 CB PRO 19 0.566 -10.505 -2.283 +ATOM 36 CA SER 20 -1.889 -14.969 -2.596 +ATOM 37 CB SER 20 -2.050 -15.324 -3.678 +TER +CONECT 1 3 2 +CONECT 3 5 4 +CONECT 5 7 6 +CONECT 7 9 8 +CONECT 9 11 10 +CONECT 11 13 12 +CONECT 13 15 14 +CONECT 15 17 16 +CONECT 17 19 18 +CONECT 19 20 +CONECT 20 21 +CONECT 21 23 22 +CONECT 23 25 24 +CONECT 25 27 26 +CONECT 27 28 +CONECT 28 30 29 +CONECT 30 32 31 +CONECT 32 34 33 +CONECT 34 35 +CONECT 36 37 diff --git a/examples/unres/CSA/GAB/CSA/global/unrestrained/CLUSTER/1l2y_csa_GB0000006_014.pdb b/examples/unres/CSA/GAB/CSA/global/unrestrained/CLUSTER/1l2y_csa_GB0000006_014.pdb new file mode 100644 index 0000000..32057b2 --- /dev/null +++ b/examples/unres/CSA/GAB/CSA/global/unrestrained/CLUSTER/1l2y_csa_GB0000006_014.pdb @@ -0,0 +1,59 @@ +REMARK 1l2y ENERGY -8.48300E+01 +ATOM 1 CA ASN 1 3.800 0.000 0.000 +ATOM 2 CB ASN 1 4.270 0.152 1.610 +ATOM 3 CA LEU 2 4.046 -3.792 0.000 +ATOM 4 CB LEU 2 4.649 -5.544 0.571 +ATOM 5 CA TYR 3 0.435 -4.223 -1.103 +ATOM 6 CB TYR 3 -1.376 -2.524 -1.166 +ATOM 7 CA ILE 4 0.916 -7.922 -1.827 +ATOM 8 CB ILE 4 2.300 -8.580 -2.726 +ATOM 9 CA GLN 5 0.534 -8.815 1.846 +ATOM 10 CB GLN 5 1.928 -7.980 3.388 +ATOM 11 CA TRP 6 -2.747 -6.906 2.011 +ATOM 12 CB TRP 6 -0.756 -5.242 2.237 +ATOM 13 CA LEU 7 -3.849 -8.453 -1.281 +ATOM 14 CB LEU 7 -4.090 -6.632 -1.904 +ATOM 15 CA LYS 8 -2.727 -11.884 -0.094 +ATOM 16 CB LYS 8 -0.410 -12.301 -1.052 +ATOM 17 CA ASP 9 -4.736 -11.528 3.111 +ATOM 18 CB ASP 9 -4.304 -10.111 3.963 +ATOM 19 CA GLY 10 -7.616 -9.853 1.283 +ATOM 20 CA GLY 11 -6.980 -6.442 2.834 +ATOM 21 CA PRO 12 -7.829 -3.495 0.590 +ATOM 22 CB PRO 12 -6.561 -3.108 0.817 +ATOM 23 CA SER 13 -7.751 -5.016 -2.892 +ATOM 24 CB SER 13 -8.542 -5.828 -3.087 +ATOM 25 CA SER 14 -9.575 -2.110 -4.524 +ATOM 26 CB SER 14 -10.127 -1.402 -3.806 +ATOM 27 CA GLY 15 -6.395 -0.070 -4.929 +ATOM 28 CA ARG 16 -6.484 1.199 -1.349 +ATOM 29 CB ARG 16 -9.013 -0.016 -0.231 +ATOM 30 CA PRO 17 -3.623 1.951 1.036 +ATOM 31 CB PRO 17 -4.557 2.830 1.440 +ATOM 32 CA PRO 18 -1.804 -1.068 2.456 +ATOM 33 CB PRO 18 -0.690 -0.316 2.442 +ATOM 34 CA PRO 19 -2.526 -2.252 5.994 +ATOM 35 CB PRO 19 -3.248 -3.124 5.268 +ATOM 36 CA SER 20 1.126 -2.937 6.788 +ATOM 37 CB SER 20 1.705 -3.635 6.081 +TER +CONECT 1 3 2 +CONECT 3 5 4 +CONECT 5 7 6 +CONECT 7 9 8 +CONECT 9 11 10 +CONECT 11 13 12 +CONECT 13 15 14 +CONECT 15 17 16 +CONECT 17 19 18 +CONECT 19 20 +CONECT 20 21 +CONECT 21 23 22 +CONECT 23 25 24 +CONECT 25 27 26 +CONECT 27 28 +CONECT 28 30 29 +CONECT 30 32 31 +CONECT 32 34 33 +CONECT 34 35 +CONECT 36 37 diff --git a/examples/unres/CSA/GAB/CSA/global/unrestrained/CLUSTER/1l2y_csa_GB0000006_015.pdb b/examples/unres/CSA/GAB/CSA/global/unrestrained/CLUSTER/1l2y_csa_GB0000006_015.pdb new file mode 100644 index 0000000..8e83551 --- /dev/null +++ b/examples/unres/CSA/GAB/CSA/global/unrestrained/CLUSTER/1l2y_csa_GB0000006_015.pdb @@ -0,0 +1,59 @@ +REMARK 1l2y ENERGY -8.47200E+01 +ATOM 1 CA ASN 1 3.800 0.000 0.000 +ATOM 2 CB ASN 1 5.464 0.256 0.031 +ATOM 3 CA LEU 2 4.065 -3.791 0.000 +ATOM 4 CB LEU 2 3.835 -5.709 -0.164 +ATOM 5 CA TYR 3 6.325 -3.729 -3.054 +ATOM 6 CB TYR 3 5.586 -5.698 -4.375 +ATOM 7 CA ILE 4 9.407 -3.525 -0.840 +ATOM 8 CB ILE 4 10.216 -2.043 -0.291 +ATOM 9 CA GLN 5 8.104 -6.418 1.251 +ATOM 10 CB GLN 5 7.204 -4.952 2.686 +ATOM 11 CA TRP 6 7.058 -8.249 -1.910 +ATOM 12 CB TRP 6 5.843 -10.186 -3.158 +ATOM 13 CA LEU 7 10.471 -7.598 -3.449 +ATOM 14 CB LEU 7 10.154 -6.076 -4.608 +ATOM 15 CA LYS 8 12.148 -8.824 -0.267 +ATOM 16 CB LYS 8 12.665 -6.547 0.736 +ATOM 17 CA ASP 9 9.972 -11.940 -0.256 +ATOM 18 CB ASP 9 8.400 -11.471 0.223 +ATOM 19 CA GLY 10 11.377 -13.067 -3.602 +ATOM 20 CA GLY 11 7.990 -13.351 -5.302 +ATOM 21 CA PRO 12 6.627 -12.195 -8.656 +ATOM 22 CB PRO 12 5.350 -12.016 -8.272 +ATOM 23 CA SER 13 7.346 -8.468 -8.477 +ATOM 24 CB SER 13 7.696 -8.713 -7.409 +ATOM 25 CA SER 14 6.175 -7.822 -12.034 +ATOM 26 CB SER 14 5.787 -8.753 -12.588 +ATOM 27 CA GLY 15 2.796 -6.475 -10.934 +ATOM 28 CA ARG 16 1.319 -6.977 -7.469 +ATOM 29 CB ARG 16 1.921 -5.008 -5.259 +ATOM 30 CA PRO 17 1.615 -10.204 -5.485 +ATOM 31 CB PRO 17 1.671 -9.291 -4.499 +ATOM 32 CA PRO 18 -0.729 -13.071 -6.336 +ATOM 33 CB PRO 18 0.434 -13.714 -6.540 +ATOM 34 CA PRO 19 -3.438 -14.003 -3.838 +ATOM 35 CB PRO 19 -3.895 -12.741 -3.927 +ATOM 36 CA SER 20 -2.972 -17.736 -4.373 +ATOM 37 CB SER 20 -2.488 -18.013 -5.379 +TER +CONECT 1 3 2 +CONECT 3 5 4 +CONECT 5 7 6 +CONECT 7 9 8 +CONECT 9 11 10 +CONECT 11 13 12 +CONECT 13 15 14 +CONECT 15 17 16 +CONECT 17 19 18 +CONECT 19 20 +CONECT 20 21 +CONECT 21 23 22 +CONECT 23 25 24 +CONECT 25 27 26 +CONECT 27 28 +CONECT 28 30 29 +CONECT 30 32 31 +CONECT 32 34 33 +CONECT 34 35 +CONECT 36 37 diff --git a/examples/unres/CSA/GAB/CSA/global/unrestrained/CLUSTER/1l2y_csa_GB0000006_016.pdb b/examples/unres/CSA/GAB/CSA/global/unrestrained/CLUSTER/1l2y_csa_GB0000006_016.pdb new file mode 100644 index 0000000..724fcf6 --- /dev/null +++ b/examples/unres/CSA/GAB/CSA/global/unrestrained/CLUSTER/1l2y_csa_GB0000006_016.pdb @@ -0,0 +1,59 @@ +REMARK 1l2y ENERGY -8.45500E+01 +ATOM 1 CA ASN 1 3.800 0.000 0.000 +ATOM 2 CB ASN 1 4.176 0.094 1.639 +ATOM 3 CA LEU 2 4.049 -3.792 0.000 +ATOM 4 CB LEU 2 5.170 -5.373 0.039 +ATOM 5 CA TYR 3 0.814 -5.698 0.585 +ATOM 6 CB TYR 3 -0.184 -4.501 2.519 +ATOM 7 CA ILE 4 2.484 -9.049 -0.061 +ATOM 8 CB ILE 4 2.854 -9.719 -1.664 +ATOM 9 CA GLN 5 4.590 -8.655 3.078 +ATOM 10 CB GLN 5 5.179 -6.850 4.267 +ATOM 11 CA TRP 6 1.563 -7.345 4.965 +ATOM 12 CB TRP 6 1.689 -6.213 7.308 +ATOM 13 CA LEU 7 -0.525 -10.287 3.773 +ATOM 14 CB LEU 7 -1.435 -9.632 2.191 +ATOM 15 CA LYS 8 2.403 -12.656 4.272 +ATOM 16 CB LYS 8 4.160 -12.165 2.503 +ATOM 17 CA ASP 9 2.359 -12.052 8.023 +ATOM 18 CB ASP 9 2.742 -10.412 8.310 +ATOM 19 CA GLY 10 -1.403 -11.520 8.104 +ATOM 20 CA GLY 11 -1.134 -7.978 9.455 +ATOM 21 CA PRO 12 -3.364 -4.994 8.705 +ATOM 22 CB PRO 12 -2.286 -4.201 8.573 +ATOM 23 CA SER 13 -3.975 -5.630 5.008 +ATOM 24 CB SER 13 -3.076 -6.343 5.097 +ATOM 25 CA SER 14 -6.716 -3.009 4.773 +ATOM 26 CB SER 14 -6.649 -2.262 5.645 +ATOM 27 CA GLY 15 -6.150 -0.471 2.002 +ATOM 28 CA ARG 16 -3.172 1.212 3.655 +ATOM 29 CB ARG 16 -2.389 0.413 6.461 +ATOM 30 CA PRO 17 0.525 0.340 3.776 +ATOM 31 CB PRO 17 0.596 1.682 3.720 +ATOM 32 CA PRO 18 1.768 -2.192 6.322 +ATOM 33 CB PRO 18 2.500 -2.656 5.293 +ATOM 34 CA PRO 19 3.663 -0.970 9.380 +ATOM 35 CB PRO 19 2.478 -1.214 9.967 +ATOM 36 CA SER 20 6.091 -3.892 9.314 +ATOM 37 CB SER 20 5.654 -4.803 8.765 +TER +CONECT 1 3 2 +CONECT 3 5 4 +CONECT 5 7 6 +CONECT 7 9 8 +CONECT 9 11 10 +CONECT 11 13 12 +CONECT 13 15 14 +CONECT 15 17 16 +CONECT 17 19 18 +CONECT 19 20 +CONECT 20 21 +CONECT 21 23 22 +CONECT 23 25 24 +CONECT 25 27 26 +CONECT 27 28 +CONECT 28 30 29 +CONECT 30 32 31 +CONECT 32 34 33 +CONECT 34 35 +CONECT 36 37 diff --git a/examples/unres/CSA/GAB/CSA/global/unrestrained/CLUSTER/1l2y_csa_GB0000006_017.pdb b/examples/unres/CSA/GAB/CSA/global/unrestrained/CLUSTER/1l2y_csa_GB0000006_017.pdb new file mode 100644 index 0000000..8f03e88 --- /dev/null +++ b/examples/unres/CSA/GAB/CSA/global/unrestrained/CLUSTER/1l2y_csa_GB0000006_017.pdb @@ -0,0 +1,59 @@ +REMARK 1l2y ENERGY -8.45200E+01 +ATOM 1 CA ASN 1 3.800 0.000 0.000 +ATOM 2 CB ASN 1 5.447 0.349 0.018 +ATOM 3 CA LEU 2 4.062 -3.791 0.000 +ATOM 4 CB LEU 2 4.217 -5.718 -0.150 +ATOM 5 CA TYR 3 6.358 -3.710 -3.027 +ATOM 6 CB TYR 3 6.203 -1.301 -3.612 +ATOM 7 CA ILE 4 9.353 -3.280 -0.727 +ATOM 8 CB ILE 4 10.256 -1.798 -0.350 +ATOM 9 CA GLN 5 8.239 -6.290 1.307 +ATOM 10 CB GLN 5 7.363 -5.004 2.919 +ATOM 11 CA TRP 6 7.518 -8.209 -1.892 +ATOM 12 CB TRP 6 7.342 -10.780 -1.509 +ATOM 13 CA LEU 7 10.715 -6.962 -3.525 +ATOM 14 CB LEU 7 9.960 -5.486 -4.532 +ATOM 15 CA LYS 8 12.837 -8.307 -0.675 +ATOM 16 CB LYS 8 11.748 -10.566 -0.269 +ATOM 17 CA ASP 9 16.105 -7.299 -2.333 +ATOM 18 CB ASP 9 15.704 -6.675 -3.873 +ATOM 19 CA GLY 10 17.901 -4.125 -1.264 +ATOM 20 CA GLY 11 17.426 -2.275 -4.549 +ATOM 21 CA PRO 12 13.800 -1.413 -3.808 +ATOM 22 CB PRO 12 13.581 -2.636 -3.292 +ATOM 23 CA SER 13 14.745 -0.339 -0.288 +ATOM 24 CB SER 13 15.537 -0.995 0.226 +ATOM 25 CA SER 14 17.070 2.317 -1.696 +ATOM 26 CB SER 14 16.807 1.641 -2.589 +ATOM 27 CA GLY 15 16.012 4.820 0.960 +ATOM 28 CA ARG 16 12.584 5.436 -0.562 +ATOM 29 CB ARG 16 11.715 5.881 -3.419 +ATOM 30 CA PRO 17 9.909 2.933 -1.571 +ATOM 31 CB PRO 17 9.145 3.817 -0.905 +ATOM 32 CA PRO 18 9.758 1.936 -5.235 +ATOM 33 CB PRO 18 9.925 0.695 -4.745 +ATOM 34 CA PRO 19 6.752 3.115 -7.238 +ATOM 35 CB PRO 19 7.330 4.326 -7.319 +ATOM 36 CA SER 20 5.631 -0.424 -8.051 +ATOM 37 CB SER 20 6.410 -1.203 -7.720 +TER +CONECT 1 3 2 +CONECT 3 5 4 +CONECT 5 7 6 +CONECT 7 9 8 +CONECT 9 11 10 +CONECT 11 13 12 +CONECT 13 15 14 +CONECT 15 17 16 +CONECT 17 19 18 +CONECT 19 20 +CONECT 20 21 +CONECT 21 23 22 +CONECT 23 25 24 +CONECT 25 27 26 +CONECT 27 28 +CONECT 28 30 29 +CONECT 30 32 31 +CONECT 32 34 33 +CONECT 34 35 +CONECT 36 37 diff --git a/examples/unres/CSA/GAB/CSA/global/unrestrained/CLUSTER/1l2y_csa_GB0000006_018.pdb b/examples/unres/CSA/GAB/CSA/global/unrestrained/CLUSTER/1l2y_csa_GB0000006_018.pdb new file mode 100644 index 0000000..bdddd87 --- /dev/null +++ b/examples/unres/CSA/GAB/CSA/global/unrestrained/CLUSTER/1l2y_csa_GB0000006_018.pdb @@ -0,0 +1,59 @@ +REMARK 1l2y ENERGY -8.42900E+01 +ATOM 1 CA ASN 1 3.800 0.000 0.000 +ATOM 2 CB ASN 1 5.448 0.346 0.001 +ATOM 3 CA LEU 2 4.059 -3.791 0.000 +ATOM 4 CB LEU 2 3.496 -5.645 0.067 +ATOM 5 CA TYR 3 5.284 -3.888 -3.596 +ATOM 6 CB TYR 3 7.668 -3.200 -3.475 +ATOM 7 CA ILE 4 6.603 -7.423 -3.146 +ATOM 8 CB ILE 4 7.661 -7.650 -1.737 +ATOM 9 CA GLN 5 3.207 -8.838 -4.096 +ATOM 10 CB GLN 5 1.784 -7.123 -3.868 +ATOM 11 CA TRP 6 3.187 -6.732 -7.259 +ATOM 12 CB TRP 6 4.116 -4.307 -7.055 +ATOM 13 CA LEU 7 6.768 -7.697 -8.088 +ATOM 14 CB LEU 7 8.046 -6.431 -7.365 +ATOM 15 CA LYS 8 5.761 -11.305 -8.725 +ATOM 16 CB LYS 8 3.224 -11.195 -8.805 +ATOM 17 CA ASP 9 8.612 -11.826 -11.183 +ATOM 18 CB ASP 9 9.339 -10.288 -11.339 +ATOM 19 CA GLY 10 10.950 -12.987 -8.421 +ATOM 20 CA GLY 11 11.476 -9.508 -6.988 +ATOM 21 CA PRO 12 12.911 -8.164 -3.736 +ATOM 22 CB PRO 12 11.996 -7.184 -3.631 +ATOM 23 CA SER 13 11.403 -10.080 -0.821 +ATOM 24 CB SER 13 12.019 -10.967 -0.426 +ATOM 25 CA SER 14 12.535 -7.511 1.739 +ATOM 26 CB SER 14 13.342 -6.809 1.315 +ATOM 27 CA GLY 15 9.943 -4.800 2.344 +ATOM 28 CA ARG 16 11.396 -2.394 -0.213 +ATOM 29 CB ARG 16 13.580 -3.940 -1.614 +ATOM 30 CA PRO 17 10.110 0.750 -1.918 +ATOM 31 CB PRO 17 11.438 0.956 -1.964 +ATOM 32 CA PRO 18 7.580 0.348 -4.724 +ATOM 33 CB PRO 18 6.938 1.337 -4.077 +ATOM 34 CA PRO 19 8.603 0.842 -8.351 +ATOM 35 CB PRO 19 8.423 -0.489 -8.412 +ATOM 36 CA SER 20 5.246 2.362 -9.279 +ATOM 37 CB SER 20 4.435 1.766 -8.723 +TER +CONECT 1 3 2 +CONECT 3 5 4 +CONECT 5 7 6 +CONECT 7 9 8 +CONECT 9 11 10 +CONECT 11 13 12 +CONECT 13 15 14 +CONECT 15 17 16 +CONECT 17 19 18 +CONECT 19 20 +CONECT 20 21 +CONECT 21 23 22 +CONECT 23 25 24 +CONECT 25 27 26 +CONECT 27 28 +CONECT 28 30 29 +CONECT 30 32 31 +CONECT 32 34 33 +CONECT 34 35 +CONECT 36 37 diff --git a/examples/unres/CSA/GAB/CSA/global/unrestrained/CLUSTER/1l2y_csa_GB0000006_019.pdb b/examples/unres/CSA/GAB/CSA/global/unrestrained/CLUSTER/1l2y_csa_GB0000006_019.pdb new file mode 100644 index 0000000..fffd2f8 --- /dev/null +++ b/examples/unres/CSA/GAB/CSA/global/unrestrained/CLUSTER/1l2y_csa_GB0000006_019.pdb @@ -0,0 +1,59 @@ +REMARK 1l2y ENERGY -8.41100E+01 +ATOM 1 CA ASN 1 3.800 0.000 0.000 +ATOM 2 CB ASN 1 5.441 0.377 0.031 +ATOM 3 CA LEU 2 4.061 -3.791 0.000 +ATOM 4 CB LEU 2 4.240 -5.718 -0.117 +ATOM 5 CA TYR 3 6.342 -3.719 -3.038 +ATOM 6 CB TYR 3 6.198 -1.293 -3.551 +ATOM 7 CA ILE 4 9.329 -3.241 -0.738 +ATOM 8 CB ILE 4 10.228 -1.721 -0.546 +ATOM 9 CA GLN 5 8.461 -6.431 1.136 +ATOM 10 CB GLN 5 7.442 -5.531 2.916 +ATOM 11 CA TRP 6 7.448 -8.121 -2.114 +ATOM 12 CB TRP 6 6.913 -10.670 -2.140 +ATOM 13 CA LEU 7 10.651 -7.045 -3.852 +ATOM 14 CB LEU 7 10.148 -5.283 -4.485 +ATOM 15 CA LYS 8 12.759 -9.019 -1.382 +ATOM 16 CB LYS 8 10.680 -9.174 0.070 +ATOM 17 CA ASP 9 14.892 -10.496 -4.159 +ATOM 18 CB ASP 9 14.018 -10.228 -5.603 +ATOM 19 CA GLY 10 16.977 -7.334 -4.466 +ATOM 20 CA GLY 11 14.504 -5.552 -6.735 +ATOM 21 CA PRO 12 14.110 -1.911 -7.748 +ATOM 22 CB PRO 12 12.788 -1.686 -7.635 +ATOM 23 CA SER 13 13.927 -0.712 -4.147 +ATOM 24 CB SER 13 13.386 -1.585 -3.629 +ATOM 25 CA SER 14 16.242 0.222 -1.282 +ATOM 26 CB SER 14 16.676 1.284 -1.367 +ATOM 27 CA GLY 15 14.648 0.862 2.108 +ATOM 28 CA ARG 16 12.421 3.713 0.944 +ATOM 29 CB ARG 16 15.257 4.694 0.609 +ATOM 30 CA PRO 17 9.301 3.231 -1.171 +ATOM 31 CB PRO 17 9.000 4.410 -0.597 +ATOM 32 CA PRO 18 9.500 2.718 -4.931 +ATOM 33 CB PRO 18 9.764 1.432 -4.640 +ATOM 34 CA PRO 19 6.427 3.291 -7.091 +ATOM 35 CB PRO 19 6.774 4.589 -7.160 +ATOM 36 CA SER 20 6.061 -0.400 -7.915 +ATOM 37 CB SER 20 6.994 -0.989 -7.589 +TER +CONECT 1 3 2 +CONECT 3 5 4 +CONECT 5 7 6 +CONECT 7 9 8 +CONECT 9 11 10 +CONECT 11 13 12 +CONECT 13 15 14 +CONECT 15 17 16 +CONECT 17 19 18 +CONECT 19 20 +CONECT 20 21 +CONECT 21 23 22 +CONECT 23 25 24 +CONECT 25 27 26 +CONECT 27 28 +CONECT 28 30 29 +CONECT 30 32 31 +CONECT 32 34 33 +CONECT 34 35 +CONECT 36 37 diff --git a/examples/unres/CSA/GAB/CSA/global/unrestrained/CLUSTER/1l2y_csa_GB0000006_020.pdb b/examples/unres/CSA/GAB/CSA/global/unrestrained/CLUSTER/1l2y_csa_GB0000006_020.pdb new file mode 100644 index 0000000..b360b77 --- /dev/null +++ b/examples/unres/CSA/GAB/CSA/global/unrestrained/CLUSTER/1l2y_csa_GB0000006_020.pdb @@ -0,0 +1,59 @@ +REMARK 1l2y ENERGY -8.39700E+01 +ATOM 1 CA ASN 1 3.800 0.000 0.000 +ATOM 2 CB ASN 1 5.415 0.405 0.250 +ATOM 3 CA LEU 2 4.055 -3.791 0.000 +ATOM 4 CB LEU 2 2.472 -4.866 0.316 +ATOM 5 CA TYR 3 4.219 -3.879 -3.795 +ATOM 6 CB TYR 3 2.176 -2.687 -4.555 +ATOM 7 CA ILE 4 7.558 -2.065 -3.754 +ATOM 8 CB ILE 4 7.644 -0.297 -3.605 +ATOM 9 CA GLN 5 9.079 -4.879 -1.703 +ATOM 10 CB GLN 5 7.593 -5.815 -0.313 +ATOM 11 CA TRP 6 7.402 -7.420 -3.976 +ATOM 12 CB TRP 6 5.030 -7.826 -2.979 +ATOM 13 CA LEU 7 8.535 -5.472 -7.036 +ATOM 14 CB LEU 7 6.652 -5.084 -7.291 +ATOM 15 CA LYS 8 12.108 -5.608 -5.751 +ATOM 16 CB LYS 8 11.962 -3.435 -4.442 +ATOM 17 CA ASP 9 11.859 -9.378 -5.341 +ATOM 18 CB ASP 9 10.480 -9.782 -4.416 +ATOM 19 CA GLY 10 10.090 -9.784 -8.680 +ATOM 20 CA GLY 11 6.714 -10.642 -7.161 +ATOM 21 CA PRO 12 3.626 -9.033 -8.681 +ATOM 22 CB PRO 12 3.205 -8.801 -7.425 +ATOM 23 CA SER 13 3.976 -5.769 -10.595 +ATOM 24 CB SER 13 3.684 -5.798 -11.707 +ATOM 25 CA SER 14 0.745 -4.323 -9.215 +ATOM 26 CB SER 14 0.657 -4.592 -8.100 +ATOM 27 CA GLY 15 -0.196 -0.654 -8.902 +ATOM 28 CA ARG 16 -3.173 -1.300 -6.631 +ATOM 29 CB ARG 16 -5.625 0.331 -5.960 +ATOM 30 CA PRO 17 -2.310 -2.758 -3.230 +ATOM 31 CB PRO 17 -3.406 -2.041 -2.924 +ATOM 32 CA PRO 18 -1.739 -6.506 -2.976 +ATOM 33 CB PRO 18 -0.497 -6.337 -3.462 +ATOM 34 CA PRO 19 -1.520 -8.829 0.024 +ATOM 35 CB PRO 19 -2.850 -9.020 -0.043 +ATOM 36 CA SER 20 0.374 -11.473 -1.941 +ATOM 37 CB SER 20 0.680 -11.081 -2.978 +TER +CONECT 1 3 2 +CONECT 3 5 4 +CONECT 5 7 6 +CONECT 7 9 8 +CONECT 9 11 10 +CONECT 11 13 12 +CONECT 13 15 14 +CONECT 15 17 16 +CONECT 17 19 18 +CONECT 19 20 +CONECT 20 21 +CONECT 21 23 22 +CONECT 23 25 24 +CONECT 25 27 26 +CONECT 27 28 +CONECT 28 30 29 +CONECT 30 32 31 +CONECT 32 34 33 +CONECT 34 35 +CONECT 36 37 diff --git a/examples/unres/CSA/GAB/CSA/global/unrestrained/CLUSTER/1l2y_csa_GB0000006_021.pdb b/examples/unres/CSA/GAB/CSA/global/unrestrained/CLUSTER/1l2y_csa_GB0000006_021.pdb new file mode 100644 index 0000000..2313b4b --- /dev/null +++ b/examples/unres/CSA/GAB/CSA/global/unrestrained/CLUSTER/1l2y_csa_GB0000006_021.pdb @@ -0,0 +1,59 @@ +REMARK 1l2y ENERGY -8.38500E+01 +ATOM 1 CA ASN 1 3.800 0.000 0.000 +ATOM 2 CB ASN 1 5.421 0.425 0.167 +ATOM 3 CA LEU 2 4.056 -3.791 0.000 +ATOM 4 CB LEU 2 3.835 -5.676 -0.399 +ATOM 5 CA TYR 3 5.989 -3.754 -3.272 +ATOM 6 CB TYR 3 5.789 -1.297 -3.575 +ATOM 7 CA ILE 4 9.265 -3.252 -1.413 +ATOM 8 CB ILE 4 9.972 -1.656 -1.085 +ATOM 9 CA GLN 5 8.348 -6.000 1.046 +ATOM 10 CB GLN 5 7.305 -4.532 2.378 +ATOM 11 CA TRP 6 7.164 -8.207 -1.812 +ATOM 12 CB TRP 6 6.043 -10.419 -2.610 +ATOM 13 CA LEU 7 10.192 -7.259 -3.904 +ATOM 14 CB LEU 7 8.952 -6.429 -5.142 +ATOM 15 CA LYS 8 12.563 -8.239 -1.100 +ATOM 16 CB LYS 8 11.880 -6.381 0.492 +ATOM 17 CA ASP 9 12.210 -11.945 -1.864 +ATOM 18 CB ASP 9 12.863 -13.508 -2.091 +ATOM 19 CA GLY 10 8.639 -13.189 -1.494 +ATOM 20 CA GLY 11 6.830 -16.453 -2.213 +ATOM 21 CA PRO 12 6.930 -16.250 -6.006 +ATOM 22 CB PRO 12 5.587 -16.182 -6.048 +ATOM 23 CA SER 13 7.902 -12.577 -5.932 +ATOM 24 CB SER 13 8.148 -11.474 -5.718 +ATOM 25 CA SER 14 11.590 -13.321 -6.471 +ATOM 26 CB SER 14 11.100 -14.306 -6.137 +ATOM 27 CA GLY 15 12.223 -10.249 -8.617 +ATOM 28 CA ARG 16 8.713 -9.906 -10.030 +ATOM 29 CB ARG 16 6.484 -11.651 -8.977 +ATOM 30 CA PRO 17 5.797 -7.834 -8.747 +ATOM 31 CB PRO 17 5.545 -7.793 -10.068 +ATOM 32 CA PRO 18 3.914 -9.249 -5.765 +ATOM 33 CB PRO 18 4.114 -8.016 -5.265 +ATOM 34 CA PRO 19 0.513 -10.874 -6.242 +ATOM 35 CB PRO 19 1.185 -11.998 -5.933 +ATOM 36 CA SER 20 -0.924 -9.330 -3.081 +ATOM 37 CB SER 20 -0.120 -9.046 -2.309 +TER +CONECT 1 3 2 +CONECT 3 5 4 +CONECT 5 7 6 +CONECT 7 9 8 +CONECT 9 11 10 +CONECT 11 13 12 +CONECT 13 15 14 +CONECT 15 17 16 +CONECT 17 19 18 +CONECT 19 20 +CONECT 20 21 +CONECT 21 23 22 +CONECT 23 25 24 +CONECT 25 27 26 +CONECT 27 28 +CONECT 28 30 29 +CONECT 30 32 31 +CONECT 32 34 33 +CONECT 34 35 +CONECT 36 37 diff --git a/examples/unres/CSA/GAB/CSA/global/unrestrained/CLUSTER/1l2y_csa_GB0000006_022.pdb b/examples/unres/CSA/GAB/CSA/global/unrestrained/CLUSTER/1l2y_csa_GB0000006_022.pdb new file mode 100644 index 0000000..dd6a29c --- /dev/null +++ b/examples/unres/CSA/GAB/CSA/global/unrestrained/CLUSTER/1l2y_csa_GB0000006_022.pdb @@ -0,0 +1,59 @@ +REMARK 1l2y ENERGY -8.36300E+01 +ATOM 1 CA ASN 1 3.800 0.000 0.000 +ATOM 2 CB ASN 1 5.409 0.371 0.330 +ATOM 3 CA LEU 2 4.056 -3.791 0.000 +ATOM 4 CB LEU 2 3.164 -4.909 1.310 +ATOM 5 CA TYR 3 4.628 -3.916 -3.755 +ATOM 6 CB TYR 3 6.014 -1.892 -3.358 +ATOM 7 CA ILE 4 7.353 -5.643 -5.762 +ATOM 8 CB ILE 4 6.770 -6.588 -7.148 +ATOM 9 CA GLN 5 9.705 -2.704 -5.245 +ATOM 10 CB GLN 5 8.709 -1.081 -6.425 +ATOM 11 CA TRP 6 9.150 -2.892 -1.490 +ATOM 12 CB TRP 6 8.140 -2.789 0.909 +ATOM 13 CA LEU 7 9.122 -6.690 -1.600 +ATOM 14 CB LEU 7 7.228 -7.095 -1.506 +ATOM 15 CA LYS 8 12.688 -6.673 -2.911 +ATOM 16 CB LYS 8 12.476 -4.578 -4.334 +ATOM 17 CA ASP 9 13.661 -4.040 -0.351 +ATOM 18 CB ASP 9 12.866 -2.635 -0.911 +ATOM 19 CA GLY 10 13.451 -6.594 2.455 +ATOM 20 CA GLY 11 9.874 -5.754 3.425 +ATOM 21 CA PRO 12 6.680 -7.747 3.936 +ATOM 22 CB PRO 12 6.329 -6.607 4.557 +ATOM 23 CA SER 13 5.252 -9.914 1.160 +ATOM 24 CB SER 13 5.714 -10.963 1.066 +ATOM 25 CA SER 14 2.148 -10.843 3.146 +ATOM 26 CB SER 14 2.222 -10.309 4.162 +ATOM 27 CA GLY 15 -1.374 -9.580 2.483 +ATOM 28 CA ARG 16 -1.361 -6.974 5.249 +ATOM 29 CB ARG 16 1.388 -6.582 6.436 +ATOM 30 CA PRO 17 -0.206 -3.356 5.131 +ATOM 31 CB PRO 17 -1.287 -3.249 5.925 +ATOM 32 CA PRO 18 3.531 -2.720 5.395 +ATOM 33 CB PRO 18 3.364 -1.751 4.477 +ATOM 34 CA PRO 19 5.140 -1.286 8.524 +ATOM 35 CB PRO 19 5.753 -2.483 8.494 +ATOM 36 CA SER 20 7.447 0.979 6.528 +ATOM 37 CB SER 20 7.597 0.565 5.465 +TER +CONECT 1 3 2 +CONECT 3 5 4 +CONECT 5 7 6 +CONECT 7 9 8 +CONECT 9 11 10 +CONECT 11 13 12 +CONECT 13 15 14 +CONECT 15 17 16 +CONECT 17 19 18 +CONECT 19 20 +CONECT 20 21 +CONECT 21 23 22 +CONECT 23 25 24 +CONECT 25 27 26 +CONECT 27 28 +CONECT 28 30 29 +CONECT 30 32 31 +CONECT 32 34 33 +CONECT 34 35 +CONECT 36 37 diff --git a/examples/unres/CSA/GAB/CSA/global/unrestrained/CLUSTER/1l2y_csa_GB000_clust.int b/examples/unres/CSA/GAB/CSA/global/unrestrained/CLUSTER/1l2y_csa_GB000_clust.int new file mode 100644 index 0000000..7e2b12e --- /dev/null +++ b/examples/unres/CSA/GAB/CSA/global/unrestrained/CLUSTER/1l2y_csa_GB000_clust.int @@ -0,0 +1,78 @@ + 1 -92.540 0 0 0 + 93.8677 91.4692 91.4341 90.7192 90.1595 90.7170 90.5693 91.9720 + 90.0711 101.9085 97.7890 92.7872 94.3603 120.5382 94.7378 131.4737 + 115.6127 117.4487 93.6868 93.4178 + 122.2588 84.9085 44.7396 43.9357 42.7063 49.3431 47.0623 75.9849 + -65.2097 -65.7656 -33.5753 104.7023 105.0514 -95.3475 80.5236 -71.2086 + -109.7372 -155.7055 59.0510 + 147.9566 129.4304 94.0344 146.6479 119.4025 161.1699 132.1233 136.6662 + 133.2693 0.0000 0.0000 140.5321 113.3622 118.6852 0.0000 127.2817 + 85.1958 113.8199 104.7675 125.4195 + -9.4688 -27.4980 -85.0106 -93.6466 -119.1194 38.4537 -168.1673 -130.3290 + -134.8122 0.0000 0.0000 -169.9183 -77.1881 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b/examples/unres/CSA/GAB/CSA/global/unrestrained/CLUSTER/1l2y_csa_GB000_clust.out @@ -0,0 +1,1053 @@ +Time limit (min): 60.0 + temperature 298.000000000000 + betaT 1.68882974231836 +1l2y + +Time for distance calculation: 0.00000E+00 sec. + + ------------------------------------------- + HIERARCHICAL CLUSTERING using + WARD'S MINIMUM VARIANCE METHOD + + hc.f by F. Murtagh, ESA/ESO/STECF, Garching + February 1986 + References: + 1. Multidimensional clustering algorithms + Fionn Murtagh + Vienna : Physica-Verlag, 1985. + 2. Multivariate data analysis + Fionn Murtagh and Andre Heck + Kluwer Academic Publishers, 1987 + ------------------------------------------- + + SEQ NOS 2CL 3CL 4CL 5CL 6CL 7CL 8CL 9CL 10CL 11CL 12CL 13CL 14CL 15CL 16CL 17CL 18CL 19CL 20CL 21CL 22CL 23CL 24CL 25CL 26CL 27CL 28CL 29CL 30CL 31CL 32CL 33CL 34CL 35CL 36CL 37CL 38CL 39CL 40CL 41CL 42CL 43CL 44CL 45CL 46CL 47CL 48CL 49CL 50CL 51CL 52CL 53CL 54CL 55CL 56CL 57CL 58CL 59CL 60CL 61CL 62CL 63CL 64CL 65CL 66CL 67CL 68CL 69CL 70CL 71CL 72CL 73CL 74CL 75CL 76CL 77CL 78CL 79CL 80CL 81CL 82CL 83CL 84CL 85CL 86CL 87CL 88CL 89CL 90CL 91CL 92CL 93CL 94CL 95CL 96CL 97CL 98CL 99CL100CL101CL102CL103CL104CL105CL106CL107CL108CL109CL110CL111CL112CL113CL114CL115CL116CL117CL118CL119CL120CL121CL122CL123CL124CL125CL126CL127CL128CL129CL130CL131CL132CL133CL134CL135CL136CL137CL138CL139CL140CL141CL142CL143CL144CL145CL146CL147CL148CL149CL150CL151CL152CL153CL154CL155CL156CL157CL158CL159CL160CL161CL162CL163CL164CL165CL166CL167CL168CL169CL170CL171CL172CL173CL174CL175CL176CL177CL178CL179CL180CL181CL182CL183CL184CL185CL186CL187CL188CL189CL190CL191CL192CL193CL194CL195CL196CL197CL198CL199CL + ------- --- --- --- --- --- --- --- --- --- --- --- --- --- --- --- --- --- --- --- --- --- --- --- --- --- --- --- --- --- --- --- --- --- --- --- --- --- --- --- --- --- --- --- --- --- --- --- --- --- --- --- --- --- --- --- --- --- --- --- --- --- --- --- --- --- --- --- --- --- --- --- --- --- --- --- --- --- --- --- --- --- --- --- --- --- --- --- --- --- --- --- --- --- --- --- --- --- --- --- --- --- --- --- --- --- --- --- --- --- --- --- --- --- --- --- --- --- --- --- --- --- --- --- --- --- --- --- --- --- --- --- --- --- --- --- --- --- --- --- --- --- --- --- --- --- --- --- --- --- --- --- --- --- --- --- --- --- --- --- --- --- --- --- --- --- --- --- --- --- --- --- --- --- --- --- --- --- --- --- --- --- --- --- --- --- --- --- --- --- --- --- --- --- --- --- --- --- --- + 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 + 2 1 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 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|--------------------------------------------------------------- | | | + | | | | | | | | | | | + | | | | | | | | | | | + 5.75 | | | | |--------------------- | | | | | | + | | | | | | | | | | | | + | | | | | | | | | | | | + 5.44 | | | | | | | |--------------------------------------------- | | | | + | | | | | | | | | | | | | + | | | | | | | | | | | | | + 5.36 | | | | | | |--------------------------------- | | | | | | + | | | | | | | | | | | | | | + | | | | | | | | | | | | | | + 5.35 | |--------------------------------- | | | | | | | | | | | | + | | | | | | | | | | | | | | | + | | | | | | | | | | | | | | | + 5.10 | | | | | | | | | | | | | | |------ + | | | | | | | | | | | | | | | | + | | | | | | | | | | | | | | | | + 5.08 | | | | | | | | | | | | | |------------------------ | | + | | | | | | | | | | | | | | | | | + | | | | | | | | | | | | | | | | | + 4.50 | | | |--------------------------------- | | | | | | | | | | | | | + | | | | | | | | | | | | | | | | | | + | | | | | | | | | | | | | | | | | | + 4.50 | | | | | | | |------------------------------------------------------------------ | | | | | | | | | | + | | | | | | | | | | | | | | | | | | | + | | | | | | | | | | | | | | | | | | | + 3.95 | | | | | | | | | | | | | | |------------------ | | | | + | | | | | | | | | | | | | | | | | | | | + | | | | | | | | | | | | | | | | | | | | + 3.72 | | | | | | | | | | | |------------------ | | | | | | | | + | | | | | | | | | | | | | | | | | | | | | + | | | | | | | | | | | | | | | | | | | | | + 3.68 |------------------------ | | | | | | | | | | | | | | | | | | | | + | | | | | | | | | | | | | | | | | | | | | | + | | | | | | | | | | | | | | | | | | | | | | + 3.60 | | | | | | | | | | | | | | | | | | | |--------------- | | + | | | | | | | | | | | | | | | | | | | | | | | + | | | | | | | | | | | | | | | | | | | | | | | + 3.59 | | | |--------------------- | | | | | | | | | | | | | | | | | | | + | | | | | | | | | | | | | | | | | | | | | | | | + | | | | | | | | | | | | | | | | | | | | | | | | + 3.22 | | | | | | | | | |--------------------------------- | | | | | | | | | | | | | | + | | | | | | | | | | | | | | | | | | | | | | | | | + | | | | | | | | | | | | | | | | | | | | | | | | | + 3.16 | | | | | | | |--------------------------- | | | | | | | | | | | | | | | | | + | | | | | | | | | | | | | | | | | | | | | | | | | | + | | | | | | | | | | | | | | | | | | | | | | | | | | + 2.97 | | | | | | | | | | | | | | | | |--------- | | | | | | | | | + | | | | | | | | | | | | | | | | | | | | | | | | | | | + | | | | | | | | | | | | | | | | | | | | | | | | | | | + 2.86 | | | | | | | | | | | | | | | | | | | | | | | | | | |------------ + | | | | | | | | | | | | | | | | | | | | | | | | | | | | + | | | | | | | | | | | | | | | | | | | | | | | | | | | | + 2.80 | | | | | |------------ | | | | | | | | | | | | | | | | | | | | | | + | | | | | | | | | | | | | | | | | | | | | | | | | | | | | + | | | | | | | | | | | | | | | | | | | | | | | | | | | | | + 2.80 | | |------------------ | | | | | | | | | | | | | | | | | | | | | | | | | | + | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | + | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | + 2.74 | | | | | | | | | | | | | | | |------------------------ | | | | | | | | | | | | | | + | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | + | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | + 2.64 | |--------- | | | | | | | | | | | | | | | | | | | | | | | | | | | | | + | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | + | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | + 2.55 | | | | | | | | | | | | | | | | | | | | | | | |--------- | | | | | | | | + | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | + | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | + 2.41 | | | | | | | | | | | | | | | | | | | | | | | | | | |--------- | | | | | | + | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | + | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | + 2.35 | | | | | | | | | | | | | |------------------------ | | | | | | | | | | | | | | | | | | | | + | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | + | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | + 2.25 | | | | | | | | | | | | | | | | | |------------ | | | | | | | | | | | | | | | | | + | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | + | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | + 2.21 | | | | | | | | | | | | | | | | | | | | | | | |--------- | | | | | | | | | | | | + | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | + | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | + 2.17 | | | | | |--------------- | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | + | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | + | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | + 2.07 | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | |------------------ | | | | | + | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | + | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | + 2.06 | | | | | |--------- | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | + | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | + | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | + 2.04 | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | |------ | | | | | | | | + | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | + | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | + 2.02 | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | |------ | + | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | + | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | + 1.99 | | | | | | | | | | |------------ | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | + | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | + | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | + 1.98 | | | | | | | | | | | | | | | | | | | |--------------------------- | | | | | | | | | | | | | | | | | | | | | | | + | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | + | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | + 1.95 | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | |--------------- + | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | + | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | + 1.91 | | | | | | | | | | | | | | | | | | |--------------------------- | | | | | | | | | | | | | | | | | | | | | | | | | | + | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | + | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | + 1.86 | | | | | | | | | | | | | | | |------------ | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | + | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | + | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | + 1.77 | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | |------ | | | | | | | | | | | | | | + | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | + | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | + 1.75 | | | | | | | | | | | | | | | | | |------------ | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | + | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | + | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | + 1.74 | | | | | | | | | | | | |------ | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | + | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | + | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | + 1.74 | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | |------------------------ | | | | | + | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | + | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | + 1.70 | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | |--------- | | | | | | | | | | | | | + | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | + | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | + 1.70 | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | |------ | | | | | | | | | + | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | + | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | + 1.67 | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | |------ | | | | | | | | | | | | | | | | | | | + | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | + | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | + 1.66 | | | | | | | | | | | | | | |------------ | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | + | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | + | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | + 1.65 | | |------ | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | + | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | + | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | + 1.62 | | | | | | | | | | | | | | | | |--------- | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | + | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | + | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | + 1.61 | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | |------ | | | | | | | + | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | + | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | + 1.61 | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | |--- | + | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | + | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | + 1.54 |--------------- | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | + | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | + | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | + 1.51 | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | |--------------- | | | | | | | + | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | + | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | + 1.46 | | | | | | | | | | | |------ | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | + | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | + | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | + 1.46 | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | |--------- | + | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | + | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | + 1.44 | | | | | | | | | | | | | |------ | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | + | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | + | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | + 1.43 | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | |--------- | | | | | | | | | + | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | + | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | + 1.42 | | | | | | | | | | | | | | | | | | | | | | | | | | | |------------------ | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | + | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | + | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | + 1.40 | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | |------ | | | | | | | | | | | | | | + | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | + | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | + 1.39 | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | |--- | | | | | | | | | | | | | | | | | | | | | | + | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | 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| | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | + 0.17 | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | |--- | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | + | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | + | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | + 0.16 | | | | | | | | | | | |--- | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | + | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | + | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | + 0.16 | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | |--- | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | + | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | + | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | + 0.15 | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | |--- | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | + | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | + | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | + 0.08 | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | |--- | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | + | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | + | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | + 0.05 | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | |--- | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | + | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | + | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | + + + 1148195110158189170128 22197190 32165 69157 15120193 82191106112130164136 71 10143134166 73187145159174 72121 62186122101 64 76 43140 78 53 98 36192155 75179149133180105151 57163 35142 93150194113 12153181 47147160 3199 40198 49 88175188 26 86109 25162 67184116104 66117127 46196 19182178152168108167 56129 44154173 7 24 91161 29102131 54 13 60100 20144 81 70177169 2176146103 9 55 21 74185 27 85139 37118 77 6 79 30 50 89 96 11 84 48 33 68124119 8123183 87141 92 14132 41 34115 80 95 31 4 52 18107 38126 39 97 17 99 58125 94 23171138 65 83 61137111 51 5156 16 90 42172 28 59135114 63 45 + + + CRITERION CLUSTERS 1 TO 199 + VALUES. (TOP 198 LEVELS OF HIERARCHY). + +AT CUTOFF: 10.00000 +Maximum distance found: 9.10 + + +THERE ARE 6 FAMILIES OF CONFORMATIONS + +FAMILY 1 CONTAINS 59 CONFORMATION(S): + 104 -9.2540E+01 117 -9.1400E+01 67 -9.1040E+01 84 -9.0900E+01 3 -9.0850E+01 + 24 -9.0760E+01 40 -9.0340E+01 152 -8.9990E+01 79 -8.9610E+01 116 -8.9530E+01 + 168 -8.9450E+01 96 -8.9320E+01 107 -8.9290E+01 8 -8.9260E+01 86 -8.9250E+01 + 161 -8.9080E+01 196 -8.8870E+01 119 -8.8560E+01 100 -8.8420E+01 139 -8.8360E+01 + 59 -8.8270E+01 167 -8.8150E+01 122 -8.8100E+01 88 -8.8050E+01 189 -8.8030E+01 + 193 -8.7920E+01 89 -8.7900E+01 48 -8.7700E+01 25 -8.7640E+01 44 -8.7550E+01 + 41 -8.7380E+01 148 -8.7250E+01 60 -8.7240E+01 81 -8.7210E+01 162 -8.7120E+01 + 99 -8.6970E+01 2 -8.6730E+01 147 -8.6710E+01 26 -8.6440E+01 20 -8.6350E+01 + 33 -8.6230E+01 13 -8.6200E+01 19 -8.6120E+01 150 -8.6030E+01 144 -8.5980E+01 + 21 -8.5940E+01 29 -8.5740E+01 166 -8.5600E+01 56 -8.5510E+01 145 -8.5360E+01 + 34 -8.5350E+01 109 -8.5080E+01 12 -8.4950E+01 136 -8.4430E+01 177 -8.4360E+01 + 54 -8.4270E+01 170 -8.4080E+01 164 -8.3710E+01 173 -8.3370E+01 + + +Max. distance in the family: 4.1; average distance in the family: 2.6 + +FAMILY 2 CONTAINS 35 CONFORMATION(S): + 184 -9.0190E+01 1 -8.8120E+01 92 -8.7440E+01 174 -8.7410E+01 157 -8.6960E+01 + 22 -8.6900E+01 43 -8.6870E+01 112 -8.6690E+01 195 -8.6380E+01 108 -8.6370E+01 + 35 -8.6240E+01 98 -8.6190E+01 17 -8.5950E+01 5 -8.5900E+01 45 -8.5690E+01 + 131 -8.5580E+01 198 -8.5580E+01 70 -8.5540E+01 123 -8.5260E+01 57 -8.5210E+01 + 182 -8.5060E+01 129 -8.4980E+01 65 -8.4940E+01 62 -8.4570E+01 66 -8.4470E+01 + 194 -8.4390E+01 146 -8.4340E+01 10 -8.4100E+01 186 -8.4090E+01 165 -8.3800E+01 + 125 -8.3780E+01 49 -8.3770E+01 73 -8.3750E+01 120 -8.3510E+01 87 -8.3480E+01 + + + +Max. distance in the family: 4.7; average distance in the family: 2.9 + +FAMILY 3 CONTAINS 42 CONFORMATION(S): + 103 -8.9010E+01 124 -8.8390E+01 183 -8.7600E+01 97 -8.7210E+01 23 -8.6670E+01 + 75 -8.6620E+01 4 -8.6500E+01 16 -8.6440E+01 102 -8.6430E+01 30 -8.6230E+01 + 149 -8.6190E+01 85 -8.5920E+01 91 -8.5860E+01 132 -8.5840E+01 74 -8.5770E+01 + 141 -8.5700E+01 63 -8.5680E+01 42 -8.5640E+01 111 -8.5620E+01 80 -8.5610E+01 + 171 -8.5480E+01 55 -8.5440E+01 64 -8.5270E+01 14 -8.5240E+01 50 -8.5110E+01 + 181 -8.5060E+01 187 -8.4930E+01 115 -8.4920E+01 77 -8.4900E+01 172 -8.4870E+01 + 71 -8.4820E+01 179 -8.4690E+01 6 -8.4130E+01 114 -8.4090E+01 93 -8.4080E+01 + 190 -8.4070E+01 9 -8.3940E+01 155 -8.3800E+01 31 -8.3730E+01 39 -8.3720E+01 + 11 -8.3710E+01 68 -8.3670E+01 + + +Max. distance in the family: 5.2; average distance in the family: 3.3 + +FAMILY 4 CONTAINS 30 CONFORMATION(S): + 36 -8.8220E+01 153 -8.8060E+01 200 -8.8060E+01 163 -8.7890E+01 47 -8.7800E+01 + 185 -8.7060E+01 51 -8.6880E+01 46 -8.6810E+01 37 -8.6700E+01 140 -8.6690E+01 + 176 -8.6430E+01 105 -8.6340E+01 32 -8.6210E+01 28 -8.6150E+01 61 -8.6010E+01 + 154 -8.5870E+01 72 -8.5600E+01 78 -8.5590E+01 137 -8.5520E+01 7 -8.5290E+01 + 159 -8.5040E+01 169 -8.4680E+01 27 -8.4400E+01 138 -8.4360E+01 58 -8.4300E+01 + 127 -8.4240E+01 142 -8.4020E+01 69 -8.3780E+01 199 -8.3350E+01 151 -8.3340E+01 + + + +Max. distance in the family: 4.6; average distance in the family: 3.0 + +FAMILY 5 CONTAINS 12 CONFORMATION(S): + 101 -8.8210E+01 180 -8.7310E+01 135 -8.7040E+01 90 -8.7010E+01 82 -8.6380E+01 + 128 -8.6120E+01 118 -8.5320E+01 83 -8.5090E+01 94 -8.4720E+01 133 -8.4340E+01 + 158 -8.4300E+01 156 -8.4250E+01 + + +Max. distance in the family: 5.4; average distance in the family: 3.4 + +FAMILY 6 CONTAINS 22 CONFORMATION(S): + 197 -8.7520E+01 38 -8.7220E+01 192 -8.7070E+01 76 -8.7050E+01 134 -8.6410E+01 + 52 -8.6090E+01 130 -8.5560E+01 126 -8.5410E+01 95 -8.5230E+01 143 -8.5210E+01 + 113 -8.5120E+01 15 -8.5110E+01 53 -8.5020E+01 110 -8.4830E+01 191 -8.4720E+01 + 121 -8.4550E+01 18 -8.4520E+01 178 -8.4290E+01 188 -8.4110E+01 106 -8.3970E+01 + 160 -8.3850E+01 175 -8.3630E+01 + + +Max. distance in the family: 5.0; average distance in the family: 3.0 + + +ASSIGNMENT OF CONSECUTIVE CONFORMATIONS TO FAMILIES: + 1 2 2 1 3 1 4 3 5 2 6 3 7 4 8 1 + 9 3 10 2 11 3 12 1 13 1 14 3 15 6 16 3 + 17 2 18 6 19 1 20 1 21 1 22 2 23 3 24 1 + 25 1 26 1 27 4 28 4 29 1 30 3 31 3 32 4 + 33 1 34 1 35 2 36 4 37 4 38 6 39 3 40 1 + 41 1 42 3 43 2 44 1 45 2 46 4 47 4 48 1 + 49 2 50 3 51 4 52 6 53 6 54 1 55 3 56 1 + 57 2 58 4 59 1 60 1 61 4 62 2 63 3 64 3 + 65 2 66 2 67 1 68 3 69 4 70 2 71 3 72 4 + 73 2 74 3 75 3 76 6 77 3 78 4 79 1 80 3 + 81 1 82 5 83 5 84 1 85 3 86 1 87 2 88 1 + 89 1 90 5 91 3 92 2 93 3 94 5 95 6 96 1 + 97 3 98 2 99 1 100 1 101 5 102 3 103 3 104 1 + 105 4 106 6 107 1 108 2 109 1 110 6 111 3 112 2 + 113 6 114 3 115 3 116 1 117 1 118 5 119 1 120 2 + 121 6 122 1 123 2 124 3 125 2 126 6 127 4 128 5 + 129 2 130 6 131 2 132 3 133 5 134 6 135 5 136 1 + 137 4 138 4 139 1 140 4 141 3 142 4 143 6 144 1 + 145 1 146 2 147 1 148 1 149 3 150 1 151 4 152 1 + 153 4 154 4 155 3 156 5 157 2 158 5 159 4 160 6 + 161 1 162 1 163 4 164 1 165 2 166 1 167 1 168 1 + 169 4 170 1 171 3 172 3 173 1 174 2 175 6 176 4 + 177 1 178 6 179 3 180 5 181 3 182 2 183 3 184 2 + 185 4 186 2 187 3 188 6 189 1 190 3 191 6 192 6 + 193 1 194 2 195 2 196 1 197 6 198 2 199 4 200 4 + +AT CUTOFF: 9.00000 +Maximum distance found: 7.87 + + +THERE ARE 7 FAMILIES OF CONFORMATIONS + +FAMILY 1 CONTAINS 41 CONFORMATION(S): + 104 -9.2540E+01 117 -9.1400E+01 67 -9.1040E+01 84 -9.0900E+01 3 -9.0850E+01 + 40 -9.0340E+01 152 -8.9990E+01 79 -8.9610E+01 116 -8.9530E+01 168 -8.9450E+01 + 96 -8.9320E+01 107 -8.9290E+01 86 -8.9250E+01 161 -8.9080E+01 196 -8.8870E+01 + 119 -8.8560E+01 59 -8.8270E+01 167 -8.8150E+01 122 -8.8100E+01 193 -8.7920E+01 + 89 -8.7900E+01 48 -8.7700E+01 25 -8.7640E+01 44 -8.7550E+01 41 -8.7380E+01 + 148 -8.7250E+01 81 -8.7210E+01 162 -8.7120E+01 99 -8.6970E+01 2 -8.6730E+01 + 147 -8.6710E+01 26 -8.6440E+01 150 -8.6030E+01 21 -8.5940E+01 166 -8.5600E+01 + 56 -8.5510E+01 34 -8.5350E+01 109 -8.5080E+01 12 -8.4950E+01 136 -8.4430E+01 + 170 -8.4080E+01 + + +Max. distance in the family: 4.0; 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+COMPND 2 MOLECULE: TC5B; +COMPND 3 CHAIN: A; +COMPND 4 ENGINEERED: YES +SOURCE MOL_ID: 1; +SOURCE 2 SYNTHETIC: YES; +SOURCE 3 OTHER_DETAILS: THE PROTEIN WAS SYNTHESIZED USING STANDARD +SOURCE 4 FMOC SOLID-PHASE SYNTHESIS METHODS ON AN APPLIED +SOURCE 5 BIOSYSTEMS 433A PEPTIDE SYNTHESIZER. +KEYWDS MINIPROTEIN, TWO-STATE FOLDING, TRP-CAGE, DE NOVO PROTEIN +EXPDTA SOLUTION NMR +NUMMDL 38 +AUTHOR J.W.NEIDIGH,R.M.FESINMEYER,N.H.ANDERSEN +REVDAT 2 24-FEB-09 1L2Y 1 VERSN +REVDAT 1 29-MAY-02 1L2Y 0 +JRNL AUTH J.W.NEIDIGH,R.M.FESINMEYER,N.H.ANDERSEN +JRNL TITL DESIGNING A 20-RESIDUE PROTEIN. +JRNL REF NAT.STRUCT.BIOL. V. 9 425 2002 +JRNL REFN ISSN 1072-8368 +JRNL PMID 11979279 +JRNL DOI 10.1038/NSB798 +REMARK 1 +REMARK 2 +REMARK 2 RESOLUTION. NOT APPLICABLE. +REMARK 3 +REMARK 3 REFINEMENT. +REMARK 3 PROGRAM : AMBER 6.0 +REMARK 3 AUTHORS : KOLLMAN +REMARK 3 +REMARK 3 OTHER REFINEMENT REMARKS: 169 NOE DISTANCE CONSTRAINTS WERE +REMARK 3 EMPLOYED. CNS WAS EMPLOYED FOR S.A., FOLLOWED BY MINIMIZATION +REMARK 3 USING THE SANDER MODULE OF AMBER. +REMARK 4 +REMARK 4 1L2Y COMPLIES WITH FORMAT V. 3.15, 01-DEC-08 +REMARK 100 +REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY RCSB ON 28-FEB-02. +REMARK 100 THE RCSB ID CODE IS RCSB015598. +REMARK 210 +REMARK 210 EXPERIMENTAL DETAILS +REMARK 210 EXPERIMENT TYPE : NMR +REMARK 210 TEMPERATURE (KELVIN) : 282 +REMARK 210 PH : 7 +REMARK 210 IONIC STRENGTH : NULL +REMARK 210 PRESSURE : AMBIENT +REMARK 210 SAMPLE CONTENTS : 1.0-1.8 MM TC5B +REMARK 210 +REMARK 210 NMR EXPERIMENTS CONDUCTED : 2D NOESY +REMARK 210 SPECTROMETER FIELD STRENGTH : 500 MHZ +REMARK 210 SPECTROMETER MODEL : DRX +REMARK 210 SPECTROMETER MANUFACTURER : BRUKER +REMARK 210 +REMARK 210 STRUCTURE DETERMINATION. +REMARK 210 SOFTWARE USED : XWINNMR 2.6, FELIX 95, CNS +REMARK 210 1.0, AMBER 6.0 +REMARK 210 METHOD USED : SIMULATED ANNEALING FROM +REMARK 210 RANDOM STRUCTURES FOLLOWED BY +REMARK 210 STEEPEST DESCENT MINIMIZATION +REMARK 210 +REMARK 210 CONFORMERS, NUMBER CALCULATED : 50 +REMARK 210 CONFORMERS, NUMBER SUBMITTED : 38 +REMARK 210 CONFORMERS, SELECTION CRITERIA : STRUCTURES WITH ACCEPTABLE +REMARK 210 COVALENT GEOMETRY, STRUCTURES +REMARK 210 WITH THE LEAST RESTRAINT +REMARK 210 VIOLATIONS +REMARK 210 +REMARK 210 BEST REPRESENTATIVE CONFORMER IN THIS ENSEMBLE : NULL +REMARK 210 +REMARK 210 REMARK: THIS STRUCTURE WAS DETERMINED USING STANDARD 2D +REMARK 210 HOMONUCLEAR TECHNIQUES. +REMARK 215 +REMARK 215 NMR STUDY +REMARK 215 THE COORDINATES IN THIS ENTRY WERE GENERATED FROM SOLUTION +REMARK 215 NMR DATA. PROTEIN DATA BANK CONVENTIONS REQUIRE THAT +REMARK 215 CRYST1 AND SCALE RECORDS BE INCLUDED, BUT THE VALUES ON +REMARK 215 THESE RECORDS ARE MEANINGLESS. +REMARK 500 +REMARK 500 GEOMETRY AND STEREOCHEMISTRY +REMARK 500 SUBTOPIC: COVALENT BOND ANGLES +REMARK 500 +REMARK 500 THE STEREOCHEMICAL PARAMETERS OF THE FOLLOWING RESIDUES +REMARK 500 HAVE VALUES WHICH DEVIATE FROM EXPECTED VALUES BY MORE +REMARK 500 THAN 6*RMSD (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN +REMARK 500 IDENTIFIER; SSEQ=SEQUENCE NUMBER; I=INSERTION CODE). +REMARK 500 +REMARK 500 STANDARD TABLE: +REMARK 500 FORMAT: (10X,I3,1X,A3,1X,A1,I4,A1,3(1X,A4,2X),12X,F5.1) +REMARK 500 +REMARK 500 EXPECTED VALUES PROTEIN: ENGH AND HUBER, 1999 +REMARK 500 EXPECTED VALUES NUCLEIC ACID: CLOWNEY ET AL 1996 +REMARK 500 +REMARK 500 M RES CSSEQI ATM1 ATM2 ATM3 +REMARK 500 2 ARG A 16 NE - CZ - NH1 ANGL. DEV. = 3.6 DEGREES +REMARK 500 13 ARG A 16 NE - CZ - NH1 ANGL. DEV. = 4.7 DEGREES +REMARK 500 +REMARK 500 REMARK: NULL +REMARK 500 +REMARK 500 GEOMETRY AND STEREOCHEMISTRY +REMARK 500 SUBTOPIC: TORSION ANGLES +REMARK 500 +REMARK 500 TORSION ANGLES OUTSIDE THE EXPECTED RAMACHANDRAN REGIONS: +REMARK 500 (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN IDENTIFIER; +REMARK 500 SSEQ=SEQUENCE NUMBER; I=INSERTION CODE). +REMARK 500 +REMARK 500 STANDARD TABLE: +REMARK 500 FORMAT:(10X,I3,1X,A3,1X,A1,I4,A1,4X,F7.2,3X,F7.2) +REMARK 500 +REMARK 500 EXPECTED VALUES: GJ KLEYWEGT AND TA JONES (1996). PHI/PSI- +REMARK 500 CHOLOGY: RAMACHANDRAN REVISITED. STRUCTURE 4, 1395 - 1400 +REMARK 500 +REMARK 500 M RES CSSEQI PSI PHI +REMARK 500 5 LEU A 2 -34.83 72.95 +REMARK 500 6 LEU A 2 -33.93 63.45 +REMARK 500 9 LEU A 2 -18.34 57.13 +REMARK 500 13 LEU A 2 -33.72 66.32 +REMARK 500 18 LEU A 2 -3.11 60.50 +REMARK 500 19 LEU A 2 -1.16 58.98 +REMARK 500 20 LEU A 2 -32.96 68.39 +REMARK 500 23 LEU A 2 -47.12 63.92 +REMARK 500 28 LEU A 2 -2.46 61.26 +REMARK 500 29 LEU A 2 -42.02 66.43 +REMARK 500 34 PRO A 12 11.15 -66.86 +REMARK 500 +REMARK 500 REMARK: NULL +REMARK 900 +REMARK 900 RELATED ENTRIES +REMARK 900 RELATED ID: 5292 RELATED DB: BMRB +REMARK 900 BMRB 5292 IS CHEMICAL SHIFTS FOR TC5B IN BUFFER AND BUFFER +REMARK 900 CONTAINING 30 VOL-% TFE. +REMARK 900 RELATED ID: 1JRJ RELATED DB: PDB +REMARK 900 1JRJ IS AN ANALAGOUS C-TERMINAL STRUCTURE. +DBREF 1L2Y A 1 20 PDB 1L2Y 1L2Y 1 20 +SEQRES 1 A 20 ASN LEU TYR ILE GLN TRP LEU LYS ASP GLY GLY PRO SER +SEQRES 2 A 20 SER GLY ARG PRO PRO PRO SER +HELIX 1 1 ASN A 1 ASP A 9 1 9 +HELIX 2 2 GLY A 10 GLY A 15 5 6 +CRYST1 1.000 1.000 1.000 90.00 90.00 90.00 P 1 1 +ORIGX1 1.000000 0.000000 0.000000 0.00000 +ORIGX2 0.000000 1.000000 0.000000 0.00000 +ORIGX3 0.000000 0.000000 1.000000 0.00000 +SCALE1 1.000000 0.000000 0.000000 0.00000 +SCALE2 0.000000 1.000000 0.000000 0.00000 +SCALE3 0.000000 0.000000 1.000000 0.00000 +MODEL 1 +ATOM 1 N ASN A 1 -8.901 4.127 -0.555 1.00 0.00 N +ATOM 2 CA ASN A 1 -8.608 3.135 -1.618 1.00 0.00 C +ATOM 3 C ASN A 1 -7.117 2.964 -1.897 1.00 0.00 C +ATOM 4 O ASN A 1 -6.634 1.849 -1.758 1.00 0.00 O +ATOM 5 CB ASN A 1 -9.437 3.396 -2.889 1.00 0.00 C +ATOM 6 CG ASN A 1 -10.915 3.130 -2.611 1.00 0.00 C +ATOM 7 OD1 ASN A 1 -11.269 2.700 -1.524 1.00 0.00 O +ATOM 8 ND2 ASN A 1 -11.806 3.406 -3.543 1.00 0.00 N +ATOM 9 H1 ASN A 1 -8.330 3.957 0.261 1.00 0.00 H +ATOM 10 H2 ASN A 1 -8.740 5.068 -0.889 1.00 0.00 H +ATOM 11 H3 ASN A 1 -9.877 4.041 -0.293 1.00 0.00 H +ATOM 12 HA ASN A 1 -8.930 2.162 -1.239 1.00 0.00 H +ATOM 13 HB2 ASN A 1 -9.310 4.417 -3.193 1.00 0.00 H +ATOM 14 HB3 ASN A 1 -9.108 2.719 -3.679 1.00 0.00 H +ATOM 15 HD21 ASN A 1 -11.572 3.791 -4.444 1.00 0.00 H +ATOM 16 HD22 ASN A 1 -12.757 3.183 -3.294 1.00 0.00 H +ATOM 17 N LEU A 2 -6.379 4.031 -2.228 1.00 0.00 N +ATOM 18 CA LEU A 2 -4.923 4.002 -2.452 1.00 0.00 C +ATOM 19 C LEU A 2 -4.136 3.187 -1.404 1.00 0.00 C +ATOM 20 O LEU A 2 -3.391 2.274 -1.760 1.00 0.00 O +ATOM 21 CB LEU A 2 -4.411 5.450 -2.619 1.00 0.00 C +ATOM 22 CG LEU A 2 -4.795 6.450 -1.495 1.00 0.00 C +ATOM 23 CD1 LEU A 2 -3.612 6.803 -0.599 1.00 0.00 C +ATOM 24 CD2 LEU A 2 -5.351 7.748 -2.084 1.00 0.00 C +ATOM 25 H LEU A 2 -6.821 4.923 -2.394 1.00 0.00 H +ATOM 26 HA LEU A 2 -4.750 3.494 -3.403 1.00 0.00 H +ATOM 27 HB2 LEU A 2 -3.340 5.414 -2.672 1.00 0.00 H +ATOM 28 HB3 LEU A 2 -4.813 5.817 -3.564 1.00 0.00 H +ATOM 29 HG LEU A 2 -5.568 6.022 -0.858 1.00 0.00 H +ATOM 30 HD11 LEU A 2 -3.207 5.905 -0.146 1.00 0.00 H +ATOM 31 HD12 LEU A 2 -2.841 7.304 -1.183 1.00 0.00 H +ATOM 32 HD13 LEU A 2 -3.929 7.477 0.197 1.00 0.00 H +ATOM 33 HD21 LEU A 2 -4.607 8.209 -2.736 1.00 0.00 H +ATOM 34 HD22 LEU A 2 -6.255 7.544 -2.657 1.00 0.00 H +ATOM 35 HD23 LEU A 2 -5.592 8.445 -1.281 1.00 0.00 H +ATOM 36 N TYR A 3 -4.354 3.455 -0.111 1.00 0.00 N +ATOM 37 CA TYR A 3 -3.690 2.738 0.981 1.00 0.00 C +ATOM 38 C TYR A 3 -4.102 1.256 1.074 1.00 0.00 C +ATOM 39 O TYR A 3 -3.291 0.409 1.442 1.00 0.00 O +ATOM 40 CB TYR A 3 -3.964 3.472 2.302 1.00 0.00 C +ATOM 41 CG TYR A 3 -2.824 3.339 3.290 1.00 0.00 C +ATOM 42 CD1 TYR A 3 -2.746 2.217 4.138 1.00 0.00 C +ATOM 43 CD2 TYR A 3 -1.820 4.326 3.332 1.00 0.00 C +ATOM 44 CE1 TYR A 3 -1.657 2.076 5.018 1.00 0.00 C +ATOM 45 CE2 TYR A 3 -0.725 4.185 4.205 1.00 0.00 C +ATOM 46 CZ TYR A 3 -0.639 3.053 5.043 1.00 0.00 C +ATOM 47 OH TYR A 3 0.433 2.881 5.861 1.00 0.00 O +ATOM 48 H TYR A 3 -4.934 4.245 0.120 1.00 0.00 H +ATOM 49 HA TYR A 3 -2.615 2.768 0.796 1.00 0.00 H +ATOM 50 HB2 TYR A 3 -4.117 4.513 2.091 1.00 0.00 H +ATOM 51 HB3 TYR A 3 -4.886 3.096 2.750 1.00 0.00 H +ATOM 52 HD1 TYR A 3 -3.513 1.456 4.101 1.00 0.00 H +ATOM 53 HD2 TYR A 3 -1.877 5.200 2.695 1.00 0.00 H +ATOM 54 HE1 TYR A 3 -1.576 1.221 5.669 1.00 0.00 H +ATOM 55 HE2 TYR A 3 0.033 4.952 4.233 1.00 0.00 H +ATOM 56 HH TYR A 3 1.187 3.395 5.567 1.00 0.00 H +ATOM 57 N ILE A 4 -5.342 0.925 0.689 1.00 0.00 N +ATOM 58 CA ILE A 4 -5.857 -0.449 0.613 1.00 0.00 C +ATOM 59 C ILE A 4 -5.089 -1.221 -0.470 1.00 0.00 C +ATOM 60 O ILE A 4 -4.621 -2.334 -0.226 1.00 0.00 O +ATOM 61 CB ILE A 4 -7.386 -0.466 0.343 1.00 0.00 C +ATOM 62 CG1 ILE A 4 -8.197 0.540 1.197 1.00 0.00 C +ATOM 63 CG2 ILE A 4 -7.959 -1.884 0.501 1.00 0.00 C +ATOM 64 CD1 ILE A 4 -8.019 0.412 2.715 1.00 0.00 C +ATOM 65 H ILE A 4 -5.906 1.656 0.283 1.00 0.00 H +ATOM 66 HA ILE A 4 -5.670 -0.941 1.568 1.00 0.00 H +ATOM 67 HB ILE A 4 -7.554 -0.192 -0.697 1.00 0.00 H +ATOM 68 HG12 ILE A 4 -7.900 1.531 0.912 1.00 0.00 H +ATOM 69 HG13 ILE A 4 -9.257 0.424 0.964 1.00 0.00 H +ATOM 70 HG21 ILE A 4 -7.509 -2.555 -0.232 1.00 0.00 H +ATOM 71 HG22 ILE A 4 -7.759 -2.271 1.501 1.00 0.00 H +ATOM 72 HG23 ILE A 4 -9.036 -1.871 0.332 1.00 0.00 H +ATOM 73 HD11 ILE A 4 -8.306 -0.585 3.049 1.00 0.00 H +ATOM 74 HD12 ILE A 4 -6.983 0.606 2.995 1.00 0.00 H +ATOM 75 HD13 ILE A 4 -8.656 1.144 3.213 1.00 0.00 H +ATOM 76 N GLN A 5 -4.907 -0.601 -1.645 1.00 0.00 N +ATOM 77 CA GLN A 5 -4.122 -1.167 -2.743 1.00 0.00 C +ATOM 78 C GLN A 5 -2.629 -1.321 -2.390 1.00 0.00 C +ATOM 79 O GLN A 5 -1.986 -2.240 -2.884 1.00 0.00 O +ATOM 80 CB GLN A 5 -4.292 -0.313 -4.013 1.00 0.00 C +ATOM 81 CG GLN A 5 -4.244 -1.171 -5.290 1.00 0.00 C +ATOM 82 CD GLN A 5 -5.576 -1.860 -5.585 1.00 0.00 C +ATOM 83 OE1 GLN A 5 -5.769 -3.044 -5.335 1.00 0.00 O +ATOM 84 NE2 GLN A 5 -6.532 -1.146 -6.152 1.00 0.00 N +ATOM 85 H GLN A 5 -5.327 0.318 -1.763 1.00 0.00 H +ATOM 86 HA GLN A 5 -4.517 -2.162 -2.940 1.00 0.00 H +ATOM 87 HB2 GLN A 5 -5.238 0.191 -3.969 1.00 0.00 H +ATOM 88 HB3 GLN A 5 -3.492 0.429 -4.053 1.00 0.00 H +ATOM 89 HG2 GLN A 5 -3.993 -0.539 -6.120 1.00 0.00 H +ATOM 90 HG3 GLN A 5 -3.458 -1.923 -5.205 1.00 0.00 H +ATOM 91 HE21 GLN A 5 -6.389 -0.184 -6.408 1.00 0.00 H +ATOM 92 HE22 GLN A 5 -7.392 -1.635 -6.335 1.00 0.00 H +ATOM 93 N TRP A 6 -2.074 -0.459 -1.528 1.00 0.00 N +ATOM 94 CA TRP A 6 -0.716 -0.631 -0.993 1.00 0.00 C +ATOM 95 C TRP A 6 -0.631 -1.766 0.044 1.00 0.00 C +ATOM 96 O TRP A 6 0.295 -2.579 -0.004 1.00 0.00 O +ATOM 97 CB TRP A 6 -0.221 0.703 -0.417 1.00 0.00 C +ATOM 98 CG TRP A 6 1.148 0.652 0.194 1.00 0.00 C +ATOM 99 CD1 TRP A 6 2.319 0.664 -0.482 1.00 0.00 C +ATOM 100 CD2 TRP A 6 1.508 0.564 1.606 1.00 0.00 C +ATOM 101 NE1 TRP A 6 3.371 0.560 0.411 1.00 0.00 N +ATOM 102 CE2 TRP A 6 2.928 0.515 1.710 1.00 0.00 C +ATOM 103 CE3 TRP A 6 0.779 0.524 2.812 1.00 0.00 C +ATOM 104 CZ2 TRP A 6 3.599 0.445 2.938 1.00 0.00 C +ATOM 105 CZ3 TRP A 6 1.439 0.433 4.053 1.00 0.00 C +ATOM 106 CH2 TRP A 6 2.842 0.407 4.120 1.00 0.00 C +ATOM 107 H TRP A 6 -2.624 0.343 -1.242 1.00 0.00 H +ATOM 108 HA TRP A 6 -0.052 -0.908 -1.813 1.00 0.00 H +ATOM 109 HB2 TRP A 6 -0.206 1.425 -1.211 1.00 0.00 H +ATOM 110 HB3 TRP A 6 -0.921 1.044 0.344 1.00 0.00 H +ATOM 111 HD1 TRP A 6 2.412 0.733 -1.558 1.00 0.00 H +ATOM 112 HE1 TRP A 6 4.360 0.536 0.156 1.00 0.00 H +ATOM 113 HE3 TRP A 6 -0.299 0.571 2.773 1.00 0.00 H +ATOM 114 HZ2 TRP A 6 4.679 0.418 2.961 1.00 0.00 H +ATOM 115 HZ3 TRP A 6 0.862 0.400 4.966 1.00 0.00 H +ATOM 116 HH2 TRP A 6 3.334 0.360 5.081 1.00 0.00 H +ATOM 117 N LEU A 7 -1.600 -1.860 0.967 1.00 0.00 N +ATOM 118 CA LEU A 7 -1.641 -2.932 1.963 1.00 0.00 C +ATOM 119 C LEU A 7 -1.847 -4.319 1.342 1.00 0.00 C +ATOM 120 O LEU A 7 -1.144 -5.248 1.742 1.00 0.00 O +ATOM 121 CB LEU A 7 -2.710 -2.645 3.033 1.00 0.00 C +ATOM 122 CG LEU A 7 -2.301 -1.579 4.069 1.00 0.00 C +ATOM 123 CD1 LEU A 7 -3.475 -1.323 5.018 1.00 0.00 C +ATOM 124 CD2 LEU A 7 -1.093 -2.007 4.914 1.00 0.00 C +ATOM 125 H LEU A 7 -2.316 -1.137 0.994 1.00 0.00 H +ATOM 126 HA LEU A 7 -0.666 -2.978 2.445 1.00 0.00 H +ATOM 127 HB2 LEU A 7 -3.600 -2.308 2.537 1.00 0.00 H +ATOM 128 HB3 LEU A 7 -2.921 -3.571 3.572 1.00 0.00 H +ATOM 129 HG LEU A 7 -2.061 -0.649 3.560 1.00 0.00 H +ATOM 130 HD11 LEU A 7 -4.343 -0.992 4.449 1.00 0.00 H +ATOM 131 HD12 LEU A 7 -3.725 -2.237 5.560 1.00 0.00 H +ATOM 132 HD13 LEU A 7 -3.211 -0.549 5.739 1.00 0.00 H +ATOM 133 HD21 LEU A 7 -1.270 -2.989 5.354 1.00 0.00 H +ATOM 134 HD22 LEU A 7 -0.195 -2.045 4.300 1.00 0.00 H +ATOM 135 HD23 LEU A 7 -0.922 -1.286 5.712 1.00 0.00 H +ATOM 136 N LYS A 8 -2.753 -4.481 0.360 1.00 0.00 N +ATOM 137 CA LYS A 8 -3.024 -5.791 -0.269 1.00 0.00 C +ATOM 138 C LYS A 8 -1.796 -6.427 -0.937 1.00 0.00 C +ATOM 139 O LYS A 8 -1.719 -7.648 -1.030 1.00 0.00 O +ATOM 140 CB LYS A 8 -4.224 -5.697 -1.232 1.00 0.00 C +ATOM 141 CG LYS A 8 -3.930 -5.009 -2.577 1.00 0.00 C +ATOM 142 CD LYS A 8 -3.682 -5.986 -3.736 1.00 0.00 C +ATOM 143 CE LYS A 8 -3.494 -5.199 -5.039 1.00 0.00 C +ATOM 144 NZ LYS A 8 -4.563 -5.483 -6.023 1.00 0.00 N +ATOM 145 H LYS A 8 -3.321 -3.675 0.097 1.00 0.00 H +ATOM 146 HA LYS A 8 -3.309 -6.478 0.529 1.00 0.00 H +ATOM 147 HB2 LYS A 8 -4.565 -6.694 -1.436 1.00 0.00 H +ATOM 148 HB3 LYS A 8 -5.019 -5.143 -0.731 1.00 0.00 H +ATOM 149 HG2 LYS A 8 -4.769 -4.390 -2.830 1.00 0.00 H +ATOM 150 HG3 LYS A 8 -3.062 -4.368 -2.469 1.00 0.00 H +ATOM 151 HD2 LYS A 8 -2.799 -6.562 -3.536 1.00 0.00 H +ATOM 152 HD3 LYS A 8 -4.524 -6.674 -3.818 1.00 0.00 H +ATOM 153 HE2 LYS A 8 -3.502 -4.150 -4.813 1.00 0.00 H +ATOM 154 HE3 LYS A 8 -2.511 -5.439 -5.457 1.00 0.00 H +ATOM 155 HZ1 LYS A 8 -4.621 -6.474 -6.211 1.00 0.00 H +ATOM 156 HZ2 LYS A 8 -5.442 -5.124 -5.657 1.00 0.00 H +ATOM 157 HZ3 LYS A 8 -4.382 -4.983 -6.881 1.00 0.00 H +ATOM 158 N ASP A 9 -0.828 -5.607 -1.355 1.00 0.00 N +ATOM 159 CA ASP A 9 0.466 -6.016 -1.905 1.00 0.00 C +ATOM 160 C ASP A 9 1.481 -6.464 -0.832 1.00 0.00 C +ATOM 161 O ASP A 9 2.545 -6.971 -1.194 1.00 0.00 O +ATOM 162 CB ASP A 9 1.033 -4.839 -2.724 1.00 0.00 C +ATOM 163 CG ASP A 9 0.672 -4.906 -4.210 1.00 0.00 C +ATOM 164 OD1 ASP A 9 -0.532 -5.051 -4.522 1.00 0.00 O +ATOM 165 OD2 ASP A 9 1.627 -4.815 -5.017 1.00 0.00 O +ATOM 166 H ASP A 9 -1.010 -4.616 -1.291 1.00 0.00 H +ATOM 167 HA ASP A 9 0.319 -6.867 -2.574 1.00 0.00 H +ATOM 168 HB2 ASP A 9 0.644 -3.924 -2.320 1.00 0.00 H +ATOM 169 HB3 ASP A 9 2.116 -4.837 -2.650 1.00 0.00 H +ATOM 170 N GLY A 10 1.185 -6.278 0.464 1.00 0.00 N +ATOM 171 CA GLY A 10 2.060 -6.618 1.593 1.00 0.00 C +ATOM 172 C GLY A 10 2.628 -5.412 2.353 1.00 0.00 C +ATOM 173 O GLY A 10 3.496 -5.594 3.208 1.00 0.00 O +ATOM 174 H GLY A 10 0.265 -5.908 0.693 1.00 0.00 H +ATOM 175 HA2 GLY A 10 1.486 -7.214 2.304 1.00 0.00 H +ATOM 176 HA3 GLY A 10 2.897 -7.228 1.252 1.00 0.00 H +ATOM 177 N GLY A 11 2.172 -4.187 2.055 1.00 0.00 N +ATOM 178 CA GLY A 11 2.626 -2.967 2.723 1.00 0.00 C +ATOM 179 C GLY A 11 4.157 -2.802 2.654 1.00 0.00 C +ATOM 180 O GLY A 11 4.710 -2.829 1.551 1.00 0.00 O +ATOM 181 H GLY A 11 1.481 -4.089 1.319 1.00 0.00 H +ATOM 182 HA2 GLY A 11 2.164 -2.109 2.237 1.00 0.00 H +ATOM 183 HA3 GLY A 11 2.280 -2.997 3.753 1.00 0.00 H +ATOM 184 N PRO A 12 4.871 -2.651 3.794 1.00 0.00 N +ATOM 185 CA PRO A 12 6.333 -2.533 3.806 1.00 0.00 C +ATOM 186 C PRO A 12 7.058 -3.729 3.165 1.00 0.00 C +ATOM 187 O PRO A 12 8.139 -3.562 2.601 1.00 0.00 O +ATOM 188 CB PRO A 12 6.740 -2.387 5.279 1.00 0.00 C +ATOM 189 CG PRO A 12 5.460 -1.952 5.987 1.00 0.00 C +ATOM 190 CD PRO A 12 4.362 -2.615 5.160 1.00 0.00 C +ATOM 191 HA PRO A 12 6.611 -1.626 3.267 1.00 0.00 H +ATOM 192 HB2 PRO A 12 7.091 -3.323 5.670 1.00 0.00 H +ATOM 193 HB3 PRO A 12 7.531 -1.647 5.403 1.00 0.00 H +ATOM 194 HG2 PRO A 12 5.443 -2.302 7.001 1.00 0.00 H +ATOM 195 HG3 PRO A 12 5.358 -0.867 5.929 1.00 0.00 H +ATOM 196 HD2 PRO A 12 4.173 -3.609 5.516 1.00 0.00 H +ATOM 197 HD3 PRO A 12 3.440 -2.042 5.246 1.00 0.00 H +ATOM 198 N SER A 13 6.463 -4.929 3.205 1.00 0.00 N +ATOM 199 CA SER A 13 7.049 -6.179 2.704 1.00 0.00 C +ATOM 200 C SER A 13 6.897 -6.369 1.185 1.00 0.00 C +ATOM 201 O SER A 13 7.025 -7.488 0.697 1.00 0.00 O +ATOM 202 CB SER A 13 6.458 -7.371 3.472 1.00 0.00 C +ATOM 203 OG SER A 13 6.763 -7.264 4.850 1.00 0.00 O +ATOM 204 H SER A 13 5.535 -4.999 3.613 1.00 0.00 H +ATOM 205 HA SER A 13 8.121 -6.159 2.903 1.00 0.00 H +ATOM 206 HB2 SER A 13 5.393 -7.382 3.344 1.00 0.00 H +ATOM 207 HB3 SER A 13 6.880 -8.302 3.093 1.00 0.00 H +ATOM 208 HG SER A 13 7.707 -7.394 4.970 1.00 0.00 H +ATOM 209 N SER A 14 6.637 -5.290 0.434 1.00 0.00 N +ATOM 210 CA SER A 14 6.389 -5.315 -1.015 1.00 0.00 C +ATOM 211 C SER A 14 7.332 -4.405 -1.823 1.00 0.00 C +ATOM 212 O SER A 14 7.082 -4.123 -2.993 1.00 0.00 O +ATOM 213 CB SER A 14 4.914 -4.993 -1.265 1.00 0.00 C +ATOM 214 OG SER A 14 4.431 -5.743 -2.358 1.00 0.00 O +ATOM 215 H SER A 14 6.509 -4.415 0.930 1.00 0.00 H +ATOM 216 HA SER A 14 6.562 -6.329 -1.378 1.00 0.00 H +ATOM 217 HB2 SER A 14 4.344 -5.236 -0.389 1.00 0.00 H +ATOM 218 HB3 SER A 14 4.778 -3.934 -1.457 1.00 0.00 H +ATOM 219 HG SER A 14 3.714 -6.324 -1.987 1.00 0.00 H +ATOM 220 N GLY A 15 8.419 -3.920 -1.202 1.00 0.00 N +ATOM 221 CA GLY A 15 9.451 -3.116 -1.870 1.00 0.00 C +ATOM 222 C GLY A 15 8.984 -1.725 -2.316 1.00 0.00 C +ATOM 223 O GLY A 15 9.539 -1.177 -3.267 1.00 0.00 O +ATOM 224 H GLY A 15 8.573 -4.210 -0.246 1.00 0.00 H +ATOM 225 HA2 GLY A 15 10.297 -2.987 -1.194 1.00 0.00 H +ATOM 226 HA3 GLY A 15 9.805 -3.652 -2.752 1.00 0.00 H +ATOM 227 N ARG A 16 7.956 -1.164 -1.660 1.00 0.00 N +ATOM 228 CA ARG A 16 7.289 0.084 -2.054 1.00 0.00 C +ATOM 229 C ARG A 16 6.855 0.916 -0.829 1.00 0.00 C +ATOM 230 O ARG A 16 6.222 0.366 0.076 1.00 0.00 O +ATOM 231 CB ARG A 16 6.110 -0.243 -2.994 1.00 0.00 C +ATOM 232 CG ARG A 16 5.046 -1.171 -2.378 1.00 0.00 C +ATOM 233 CD ARG A 16 3.923 -1.592 -3.338 1.00 0.00 C +ATOM 234 NE ARG A 16 4.251 -2.811 -4.100 1.00 0.00 N +ATOM 235 CZ ARG A 16 4.859 -2.914 -5.274 1.00 0.00 C +ATOM 236 NH1 ARG A 16 5.289 -1.864 -5.937 1.00 0.00 N +ATOM 237 NH2 ARG A 16 5.035 -4.095 -5.809 1.00 0.00 N +ATOM 238 H ARG A 16 7.579 -1.676 -0.874 1.00 0.00 H +ATOM 239 HA ARG A 16 8.009 0.663 -2.630 1.00 0.00 H +ATOM 240 HB2 ARG A 16 5.634 0.678 -3.269 1.00 0.00 H +ATOM 241 HB3 ARG A 16 6.524 -0.720 -3.880 1.00 0.00 H +ATOM 242 HG2 ARG A 16 5.538 -2.059 -2.031 1.00 0.00 H +ATOM 243 HG3 ARG A 16 4.579 -0.652 -1.549 1.00 0.00 H +ATOM 244 HD2 ARG A 16 3.033 -1.774 -2.766 1.00 0.00 H +ATOM 245 HD3 ARG A 16 3.669 -0.765 -4.003 1.00 0.00 H +ATOM 246 HE ARG A 16 3.963 -3.694 -3.698 1.00 0.00 H +ATOM 247 HH11 ARG A 16 5.150 -0.962 -5.521 1.00 0.00 H +ATOM 248 HH12 ARG A 16 5.761 -1.962 -6.815 1.00 0.00 H +ATOM 249 HH21 ARG A 16 4.649 -4.894 -5.327 1.00 0.00 H +ATOM 250 HH22 ARG A 16 5.508 -4.205 -6.684 1.00 0.00 H +ATOM 251 N PRO A 17 7.156 2.230 -0.780 1.00 0.00 N +ATOM 252 CA PRO A 17 6.782 3.088 0.345 1.00 0.00 C +ATOM 253 C PRO A 17 5.261 3.331 0.395 1.00 0.00 C +ATOM 254 O PRO A 17 4.586 3.165 -0.624 1.00 0.00 O +ATOM 255 CB PRO A 17 7.554 4.394 0.119 1.00 0.00 C +ATOM 256 CG PRO A 17 7.677 4.474 -1.401 1.00 0.00 C +ATOM 257 CD PRO A 17 7.820 3.010 -1.816 1.00 0.00 C +ATOM 258 HA PRO A 17 7.107 2.628 1.279 1.00 0.00 H +ATOM 259 HB2 PRO A 17 7.009 5.234 0.505 1.00 0.00 H +ATOM 260 HB3 PRO A 17 8.548 4.308 0.561 1.00 0.00 H +ATOM 261 HG2 PRO A 17 6.800 4.914 -1.836 1.00 0.00 H +ATOM 262 HG3 PRO A 17 8.540 5.066 -1.707 1.00 0.00 H +ATOM 263 HD2 PRO A 17 7.349 2.844 -2.766 1.00 0.00 H +ATOM 264 HD3 PRO A 17 8.876 2.739 -1.855 1.00 0.00 H +ATOM 265 N PRO A 18 4.710 3.739 1.555 1.00 0.00 N +ATOM 266 CA PRO A 18 3.287 4.031 1.686 1.00 0.00 C +ATOM 267 C PRO A 18 2.901 5.305 0.913 1.00 0.00 C +ATOM 268 O PRO A 18 3.684 6.256 0.871 1.00 0.00 O +ATOM 269 CB PRO A 18 3.035 4.190 3.187 1.00 0.00 C +ATOM 270 CG PRO A 18 4.385 4.655 3.729 1.00 0.00 C +ATOM 271 CD PRO A 18 5.393 3.949 2.823 1.00 0.00 C +ATOM 272 HA PRO A 18 2.719 3.181 1.316 1.00 0.00 H +ATOM 273 HB2 PRO A 18 2.274 4.924 3.372 1.00 0.00 H +ATOM 274 HB3 PRO A 18 2.781 3.223 3.618 1.00 0.00 H +ATOM 275 HG2 PRO A 18 4.482 5.721 3.654 1.00 0.00 H +ATOM 276 HG3 PRO A 18 4.518 4.377 4.775 1.00 0.00 H +ATOM 277 HD2 PRO A 18 6.262 4.562 2.682 1.00 0.00 H +ATOM 278 HD3 PRO A 18 5.662 2.983 3.253 1.00 0.00 H +ATOM 279 N PRO A 19 1.688 5.360 0.336 1.00 0.00 N +ATOM 280 CA PRO A 19 1.185 6.543 -0.353 1.00 0.00 C +ATOM 281 C PRO A 19 0.715 7.607 0.655 1.00 0.00 C +ATOM 282 O PRO A 19 -0.124 7.324 1.513 1.00 0.00 O +ATOM 283 CB PRO A 19 0.048 6.014 -1.229 1.00 0.00 C +ATOM 284 CG PRO A 19 -0.519 4.852 -0.412 1.00 0.00 C +ATOM 285 CD PRO A 19 0.716 4.275 0.272 1.00 0.00 C +ATOM 286 HA PRO A 19 1.961 6.966 -0.991 1.00 0.00 H +ATOM 287 HB2 PRO A 19 -0.697 6.770 -1.389 1.00 0.00 H +ATOM 288 HB3 PRO A 19 0.463 5.630 -2.162 1.00 0.00 H +ATOM 289 HG2 PRO A 19 -1.232 5.201 0.310 1.00 0.00 H +ATOM 290 HG3 PRO A 19 -1.019 4.114 -1.041 1.00 0.00 H +ATOM 291 HD2 PRO A 19 0.470 3.937 1.260 1.00 0.00 H +ATOM 292 HD3 PRO A 19 1.121 3.461 -0.329 1.00 0.00 H +ATOM 293 N SER A 20 1.271 8.822 0.549 1.00 0.00 N +ATOM 294 CA SER A 20 0.852 10.027 1.285 1.00 0.00 C +ATOM 295 C SER A 20 -0.406 10.657 0.683 1.00 0.00 C +ATOM 296 O SER A 20 -0.387 10.916 -0.540 1.00 0.00 O +ATOM 297 CB SER A 20 1.972 11.071 1.284 1.00 0.00 C +ATOM 298 OG SER A 20 3.120 10.541 1.911 1.00 0.00 O +ATOM 299 OXT SER A 20 -1.341 10.903 1.473 1.00 0.00 O +ATOM 300 H SER A 20 1.969 8.961 -0.165 1.00 0.00 H +ATOM 301 HA SER A 20 0.601 9.760 2.310 1.00 0.00 H +ATOM 302 HB2 SER A 20 2.210 11.338 0.272 1.00 0.00 H +ATOM 303 HB3 SER A 20 1.636 11.959 1.824 1.00 0.00 H +ATOM 304 HG SER A 20 2.831 10.040 2.676 1.00 0.00 H +TER 305 SER A 20 +ENDMDL +MODEL 2 +ATOM 1 N ASN A 1 -6.919 6.901 0.917 1.00 0.00 N +ATOM 2 CA ASN A 1 -7.682 6.025 -0.010 1.00 0.00 C +ATOM 3 C ASN A 1 -6.840 4.889 -0.589 1.00 0.00 C +ATOM 4 O ASN A 1 -7.106 3.741 -0.253 1.00 0.00 O +ATOM 5 CB ASN A 1 -8.428 6.847 -1.072 1.00 0.00 C +ATOM 6 CG ASN A 1 -9.504 7.659 -0.362 1.00 0.00 C +ATOM 7 OD1 ASN A 1 -9.180 8.568 0.382 1.00 0.00 O +ATOM 8 ND2 ASN A 1 -10.768 7.290 -0.468 1.00 0.00 N +ATOM 9 H1 ASN A 1 -6.513 6.358 1.667 1.00 0.00 H +ATOM 10 H2 ASN A 1 -6.191 7.398 0.422 1.00 0.00 H +ATOM 11 H3 ASN A 1 -7.553 7.592 1.308 1.00 0.00 H +ATOM 12 HA ASN A 1 -8.451 5.523 0.581 1.00 0.00 H +ATOM 13 HB2 ASN A 1 -7.743 7.506 -1.571 1.00 0.00 H +ATOM 14 HB3 ASN A 1 -8.886 6.189 -1.811 1.00 0.00 H +ATOM 15 HD21 ASN A 1 -11.078 6.519 -1.037 1.00 0.00 H +ATOM 16 HD22 ASN A 1 -11.417 7.848 0.064 1.00 0.00 H +ATOM 17 N LEU A 2 -5.819 5.175 -1.412 1.00 0.00 N +ATOM 18 CA LEU A 2 -5.020 4.162 -2.130 1.00 0.00 C +ATOM 19 C LEU A 2 -4.244 3.179 -1.224 1.00 0.00 C +ATOM 20 O LEU A 2 -3.761 2.148 -1.693 1.00 0.00 O +ATOM 21 CB LEU A 2 -4.073 4.863 -3.128 1.00 0.00 C +ATOM 22 CG LEU A 2 -4.831 5.608 -4.250 1.00 0.00 C +ATOM 23 CD1 LEU A 2 -5.010 7.109 -3.963 1.00 0.00 C +ATOM 24 CD2 LEU A 2 -4.110 5.465 -5.592 1.00 0.00 C +ATOM 25 H LEU A 2 -5.631 6.133 -1.665 1.00 0.00 H +ATOM 26 HA LEU A 2 -5.709 3.545 -2.710 1.00 0.00 H +ATOM 27 HB2 LEU A 2 -3.472 5.572 -2.591 1.00 0.00 H +ATOM 28 HB3 LEU A 2 -3.451 4.089 -3.583 1.00 0.00 H +ATOM 29 HG LEU A 2 -5.820 5.160 -4.359 1.00 0.00 H +ATOM 30 HD11 LEU A 2 -5.173 7.303 -2.907 1.00 0.00 H +ATOM 31 HD12 LEU A 2 -4.124 7.663 -4.273 1.00 0.00 H +ATOM 32 HD13 LEU A 2 -5.867 7.480 -4.526 1.00 0.00 H +ATOM 33 HD21 LEU A 2 -3.114 5.904 -5.535 1.00 0.00 H +ATOM 34 HD22 LEU A 2 -4.023 4.410 -5.855 1.00 0.00 H +ATOM 35 HD23 LEU A 2 -4.683 5.969 -6.371 1.00 0.00 H +ATOM 36 N TYR A 3 -4.181 3.456 0.082 1.00 0.00 N +ATOM 37 CA TYR A 3 -3.537 2.636 1.105 1.00 0.00 C +ATOM 38 C TYR A 3 -4.038 1.181 1.139 1.00 0.00 C +ATOM 39 O TYR A 3 -3.259 0.273 1.413 1.00 0.00 O +ATOM 40 CB TYR A 3 -3.727 3.313 2.471 1.00 0.00 C +ATOM 41 CG TYR A 3 -2.520 3.154 3.365 1.00 0.00 C +ATOM 42 CD1 TYR A 3 -2.382 2.007 4.169 1.00 0.00 C +ATOM 43 CD2 TYR A 3 -1.514 4.139 3.357 1.00 0.00 C +ATOM 44 CE1 TYR A 3 -1.233 1.840 4.963 1.00 0.00 C +ATOM 45 CE2 TYR A 3 -0.365 3.977 4.149 1.00 0.00 C +ATOM 46 CZ TYR A 3 -0.218 2.820 4.947 1.00 0.00 C +ATOM 47 OH TYR A 3 0.909 2.639 5.687 1.00 0.00 O +ATOM 48 H TYR A 3 -4.618 4.309 0.378 1.00 0.00 H +ATOM 49 HA TYR A 3 -2.470 2.610 0.881 1.00 0.00 H +ATOM 50 HB2 TYR A 3 -3.905 4.360 2.315 1.00 0.00 H +ATOM 51 HB3 TYR A 3 -4.610 2.907 2.968 1.00 0.00 H +ATOM 52 HD1 TYR A 3 -3.154 1.253 4.165 1.00 0.00 H +ATOM 53 HD2 TYR A 3 -1.614 5.025 2.743 1.00 0.00 H +ATOM 54 HE1 TYR A 3 -1.110 0.964 5.579 1.00 0.00 H +ATOM 55 HE2 TYR A 3 0.390 4.746 4.148 1.00 0.00 H +ATOM 56 HH TYR A 3 1.602 3.248 5.433 1.00 0.00 H +ATOM 57 N ILE A 4 -5.316 0.947 0.804 1.00 0.00 N +ATOM 58 CA ILE A 4 -5.914 -0.393 0.686 1.00 0.00 C +ATOM 59 C ILE A 4 -5.157 -1.200 -0.382 1.00 0.00 C +ATOM 60 O ILE A 4 -4.755 -2.338 -0.140 1.00 0.00 O +ATOM 61 CB ILE A 4 -7.421 -0.283 0.330 1.00 0.00 C +ATOM 62 CG1 ILE A 4 -8.214 0.632 1.300 1.00 0.00 C +ATOM 63 CG2 ILE A 4 -8.099 -1.670 0.270 1.00 0.00 C +ATOM 64 CD1 ILE A 4 -9.489 1.191 0.662 1.00 0.00 C +ATOM 65 H ILE A 4 -5.889 1.753 0.580 1.00 0.00 H +ATOM 66 HA ILE A 4 -5.814 -0.911 1.639 1.00 0.00 H +ATOM 67 HB ILE A 4 -7.477 0.157 -0.667 1.00 0.00 H +ATOM 68 HG12 ILE A 4 -8.484 0.062 2.168 1.00 0.00 H +ATOM 69 HG13 ILE A 4 -7.616 1.489 1.603 1.00 0.00 H +ATOM 70 HG21 ILE A 4 -7.421 -2.428 -0.112 1.00 0.00 H +ATOM 71 HG22 ILE A 4 -8.432 -1.979 1.263 1.00 0.00 H +ATOM 72 HG23 ILE A 4 -8.967 -1.620 -0.389 1.00 0.00 H +ATOM 73 HD11 ILE A 4 -9.235 1.742 -0.245 1.00 0.00 H +ATOM 74 HD12 ILE A 4 -10.180 0.385 0.416 1.00 0.00 H +ATOM 75 HD13 ILE A 4 -9.973 1.875 1.360 1.00 0.00 H +ATOM 76 N GLN A 5 -4.948 -0.605 -1.564 1.00 0.00 N +ATOM 77 CA GLN A 5 -4.253 -1.225 -2.692 1.00 0.00 C +ATOM 78 C GLN A 5 -2.763 -1.444 -2.393 1.00 0.00 C +ATOM 79 O GLN A 5 -2.186 -2.435 -2.832 1.00 0.00 O +ATOM 80 CB GLN A 5 -4.443 -0.345 -3.944 1.00 0.00 C +ATOM 81 CG GLN A 5 -4.608 -1.157 -5.242 1.00 0.00 C +ATOM 82 CD GLN A 5 -5.950 -0.859 -5.909 1.00 0.00 C +ATOM 83 OE1 GLN A 5 -6.138 0.164 -6.544 1.00 0.00 O +ATOM 84 NE2 GLN A 5 -6.941 -1.718 -5.770 1.00 0.00 N +ATOM 85 H GLN A 5 -5.217 0.365 -1.657 1.00 0.00 H +ATOM 86 HA GLN A 5 -4.707 -2.201 -2.864 1.00 0.00 H +ATOM 87 HB2 GLN A 5 -5.320 0.258 -3.806 1.00 0.00 H +ATOM 88 HB3 GLN A 5 -3.591 0.328 -4.050 1.00 0.00 H +ATOM 89 HG2 GLN A 5 -3.816 -0.901 -5.919 1.00 0.00 H +ATOM 90 HG3 GLN A 5 -4.525 -2.228 -5.051 1.00 0.00 H +ATOM 91 HE21 GLN A 5 -6.847 -2.590 -5.280 1.00 0.00 H +ATOM 92 HE22 GLN A 5 -7.781 -1.439 -6.247 1.00 0.00 H +ATOM 93 N TRP A 6 -2.145 -0.549 -1.610 1.00 0.00 N +ATOM 94 CA TRP A 6 -0.791 -0.749 -1.090 1.00 0.00 C +ATOM 95 C TRP A 6 -0.713 -1.909 -0.084 1.00 0.00 C +ATOM 96 O TRP A 6 0.161 -2.766 -0.210 1.00 0.00 O +ATOM 97 CB TRP A 6 -0.266 0.564 -0.501 1.00 0.00 C +ATOM 98 CG TRP A 6 1.149 0.501 -0.014 1.00 0.00 C +ATOM 99 CD1 TRP A 6 2.254 0.539 -0.795 1.00 0.00 C +ATOM 100 CD2 TRP A 6 1.637 0.388 1.358 1.00 0.00 C +ATOM 101 NE1 TRP A 6 3.382 0.433 -0.006 1.00 0.00 N +ATOM 102 CE2 TRP A 6 3.062 0.366 1.327 1.00 0.00 C +ATOM 103 CE3 TRP A 6 1.023 0.313 2.627 1.00 0.00 C +ATOM 104 CZ2 TRP A 6 3.844 0.308 2.487 1.00 0.00 C +ATOM 105 CZ3 TRP A 6 1.800 0.231 3.799 1.00 0.00 C +ATOM 106 CH2 TRP A 6 3.205 0.246 3.733 1.00 0.00 C +ATOM 107 H TRP A 6 -2.669 0.277 -1.341 1.00 0.00 H +ATOM 108 HA TRP A 6 -0.144 -1.024 -1.920 1.00 0.00 H +ATOM 109 HB2 TRP A 6 -0.327 1.320 -1.260 1.00 0.00 H +ATOM 110 HB3 TRP A 6 -0.903 0.868 0.329 1.00 0.00 H +ATOM 111 HD1 TRP A 6 2.260 0.636 -1.868 1.00 0.00 H +ATOM 112 HE1 TRP A 6 4.347 0.425 -0.348 1.00 0.00 H +ATOM 113 HE3 TRP A 6 -0.055 0.327 2.692 1.00 0.00 H +ATOM 114 HZ2 TRP A 6 4.922 0.297 2.403 1.00 0.00 H +ATOM 115 HZ3 TRP A 6 1.315 0.170 4.763 1.00 0.00 H +ATOM 116 HH2 TRP A 6 3.791 0.201 4.639 1.00 0.00 H +ATOM 117 N LEU A 7 -1.646 -1.992 0.877 1.00 0.00 N +ATOM 118 CA LEU A 7 -1.701 -3.105 1.831 1.00 0.00 C +ATOM 119 C LEU A 7 -1.917 -4.465 1.152 1.00 0.00 C +ATOM 120 O LEU A 7 -1.290 -5.437 1.570 1.00 0.00 O +ATOM 121 CB LEU A 7 -2.777 -2.856 2.905 1.00 0.00 C +ATOM 122 CG LEU A 7 -2.370 -1.808 3.958 1.00 0.00 C +ATOM 123 CD1 LEU A 7 -3.595 -1.444 4.805 1.00 0.00 C +ATOM 124 CD2 LEU A 7 -1.255 -2.296 4.897 1.00 0.00 C +ATOM 125 H LEU A 7 -2.325 -1.238 0.964 1.00 0.00 H +ATOM 126 HA LEU A 7 -0.726 -3.167 2.315 1.00 0.00 H +ATOM 127 HB2 LEU A 7 -3.670 -2.517 2.417 1.00 0.00 H +ATOM 128 HB3 LEU A 7 -2.988 -3.793 3.422 1.00 0.00 H +ATOM 129 HG LEU A 7 -2.023 -0.911 3.448 1.00 0.00 H +ATOM 130 HD11 LEU A 7 -4.368 -1.013 4.171 1.00 0.00 H +ATOM 131 HD12 LEU A 7 -3.990 -2.337 5.292 1.00 0.00 H +ATOM 132 HD13 LEU A 7 -3.314 -0.721 5.570 1.00 0.00 H +ATOM 133 HD21 LEU A 7 -1.674 -2.706 5.816 1.00 0.00 H +ATOM 134 HD22 LEU A 7 -0.651 -3.072 4.431 1.00 0.00 H +ATOM 135 HD23 LEU A 7 -0.606 -1.459 5.148 1.00 0.00 H +ATOM 136 N LYS A 8 -2.727 -4.538 0.081 1.00 0.00 N +ATOM 137 CA LYS A 8 -2.916 -5.759 -0.732 1.00 0.00 C +ATOM 138 C LYS A 8 -1.597 -6.366 -1.231 1.00 0.00 C +ATOM 139 O LYS A 8 -1.499 -7.582 -1.342 1.00 0.00 O +ATOM 140 CB LYS A 8 -3.803 -5.459 -1.952 1.00 0.00 C +ATOM 141 CG LYS A 8 -5.289 -5.218 -1.653 1.00 0.00 C +ATOM 142 CD LYS A 8 -6.117 -6.512 -1.588 1.00 0.00 C +ATOM 143 CE LYS A 8 -7.591 -6.248 -1.927 1.00 0.00 C +ATOM 144 NZ LYS A 8 -8.242 -5.337 -0.956 1.00 0.00 N +ATOM 145 H LYS A 8 -3.244 -3.695 -0.159 1.00 0.00 H +ATOM 146 HA LYS A 8 -3.390 -6.527 -0.119 1.00 0.00 H +ATOM 147 HB2 LYS A 8 -3.417 -4.581 -2.432 1.00 0.00 H +ATOM 148 HB3 LYS A 8 -3.718 -6.282 -2.665 1.00 0.00 H +ATOM 149 HG2 LYS A 8 -5.369 -4.715 -0.708 1.00 0.00 H +ATOM 150 HG3 LYS A 8 -5.682 -4.593 -2.456 1.00 0.00 H +ATOM 151 HD2 LYS A 8 -5.718 -7.218 -2.290 1.00 0.00 H +ATOM 152 HD3 LYS A 8 -6.028 -6.959 -0.595 1.00 0.00 H +ATOM 153 HE2 LYS A 8 -7.646 -5.806 -2.903 1.00 0.00 H +ATOM 154 HE3 LYS A 8 -8.119 -7.204 -1.955 1.00 0.00 H +ATOM 155 HZ1 LYS A 8 -8.219 -5.741 -0.030 1.00 0.00 H +ATOM 156 HZ2 LYS A 8 -7.756 -4.452 -0.934 1.00 0.00 H +ATOM 157 HZ3 LYS A 8 -9.207 -5.176 -1.217 1.00 0.00 H +ATOM 158 N ASP A 9 -0.598 -5.528 -1.520 1.00 0.00 N +ATOM 159 CA ASP A 9 0.739 -5.926 -1.971 1.00 0.00 C +ATOM 160 C ASP A 9 1.608 -6.494 -0.823 1.00 0.00 C +ATOM 161 O ASP A 9 2.705 -7.002 -1.069 1.00 0.00 O +ATOM 162 CB ASP A 9 1.387 -4.675 -2.604 1.00 0.00 C +ATOM 163 CG ASP A 9 2.379 -4.929 -3.745 1.00 0.00 C +ATOM 164 OD1 ASP A 9 2.947 -6.037 -3.844 1.00 0.00 O +ATOM 165 OD2 ASP A 9 2.565 -3.967 -4.523 1.00 0.00 O +ATOM 166 H ASP A 9 -0.766 -4.537 -1.399 1.00 0.00 H +ATOM 167 HA ASP A 9 0.643 -6.697 -2.737 1.00 0.00 H +ATOM 168 HB2 ASP A 9 0.598 -4.057 -2.988 1.00 0.00 H +ATOM 169 HB3 ASP A 9 1.882 -4.089 -1.828 1.00 0.00 H +ATOM 170 N GLY A 10 1.186 -6.365 0.446 1.00 0.00 N +ATOM 171 CA GLY A 10 1.973 -6.740 1.632 1.00 0.00 C +ATOM 172 C GLY A 10 2.532 -5.564 2.451 1.00 0.00 C +ATOM 173 O GLY A 10 3.354 -5.783 3.347 1.00 0.00 O +ATOM 174 H GLY A 10 0.256 -5.985 0.605 1.00 0.00 H +ATOM 175 HA2 GLY A 10 1.333 -7.328 2.291 1.00 0.00 H +ATOM 176 HA3 GLY A 10 2.812 -7.373 1.342 1.00 0.00 H +ATOM 177 N GLY A 11 2.105 -4.325 2.171 1.00 0.00 N +ATOM 178 CA GLY A 11 2.505 -3.133 2.918 1.00 0.00 C +ATOM 179 C GLY A 11 4.031 -2.908 2.926 1.00 0.00 C +ATOM 180 O GLY A 11 4.638 -2.849 1.855 1.00 0.00 O +ATOM 181 H GLY A 11 1.516 -4.204 1.357 1.00 0.00 H +ATOM 182 HA2 GLY A 11 2.038 -2.263 2.459 1.00 0.00 H +ATOM 183 HA3 GLY A 11 2.123 -3.226 3.932 1.00 0.00 H +ATOM 184 N PRO A 12 4.693 -2.777 4.097 1.00 0.00 N +ATOM 185 CA PRO A 12 6.148 -2.595 4.163 1.00 0.00 C +ATOM 186 C PRO A 12 6.957 -3.724 3.506 1.00 0.00 C +ATOM 187 O PRO A 12 8.099 -3.504 3.110 1.00 0.00 O +ATOM 188 CB PRO A 12 6.499 -2.497 5.652 1.00 0.00 C +ATOM 189 CG PRO A 12 5.185 -2.111 6.326 1.00 0.00 C +ATOM 190 CD PRO A 12 4.127 -2.769 5.441 1.00 0.00 C +ATOM 191 HA PRO A 12 6.400 -1.655 3.673 1.00 0.00 H +ATOM 192 HB2 PRO A 12 6.853 -3.440 6.022 1.00 0.00 H +ATOM 193 HB3 PRO A 12 7.273 -1.749 5.829 1.00 0.00 H +ATOM 194 HG2 PRO A 12 5.140 -2.494 7.327 1.00 0.00 H +ATOM 195 HG3 PRO A 12 5.066 -1.027 6.297 1.00 0.00 H +ATOM 196 HD2 PRO A 12 3.932 -3.771 5.772 1.00 0.00 H +ATOM 197 HD3 PRO A 12 3.200 -2.199 5.491 1.00 0.00 H +ATOM 198 N SER A 13 6.381 -4.927 3.375 1.00 0.00 N +ATOM 199 CA SER A 13 7.056 -6.106 2.818 1.00 0.00 C +ATOM 200 C SER A 13 7.017 -6.159 1.275 1.00 0.00 C +ATOM 201 O SER A 13 7.448 -7.142 0.680 1.00 0.00 O +ATOM 202 CB SER A 13 6.474 -7.366 3.479 1.00 0.00 C +ATOM 203 OG SER A 13 7.471 -8.354 3.649 1.00 0.00 O +ATOM 204 H SER A 13 5.406 -5.030 3.647 1.00 0.00 H +ATOM 205 HA SER A 13 8.108 -6.044 3.095 1.00 0.00 H +ATOM 206 HB2 SER A 13 6.071 -7.105 4.439 1.00 0.00 H +ATOM 207 HB3 SER A 13 5.651 -7.761 2.885 1.00 0.00 H +ATOM 208 HG SER A 13 8.161 -8.011 4.225 1.00 0.00 H +ATOM 209 N SER A 14 6.529 -5.095 0.619 1.00 0.00 N +ATOM 210 CA SER A 14 6.302 -5.007 -0.834 1.00 0.00 C +ATOM 211 C SER A 14 7.350 -4.180 -1.591 1.00 0.00 C +ATOM 212 O SER A 14 7.202 -3.947 -2.792 1.00 0.00 O +ATOM 213 CB SER A 14 4.935 -4.369 -1.091 1.00 0.00 C +ATOM 214 OG SER A 14 3.965 -4.957 -0.265 1.00 0.00 O +ATOM 215 H SER A 14 6.105 -4.361 1.178 1.00 0.00 H +ATOM 216 HA SER A 14 6.289 -6.011 -1.260 1.00 0.00 H +ATOM 217 HB2 SER A 14 4.989 -3.318 -0.882 1.00 0.00 H +ATOM 218 HB3 SER A 14 4.656 -4.489 -2.138 1.00 0.00 H +ATOM 219 HG SER A 14 3.647 -5.806 -0.666 1.00 0.00 H +ATOM 220 N GLY A 15 8.373 -3.654 -0.908 1.00 0.00 N +ATOM 221 CA GLY A 15 9.445 -2.839 -1.497 1.00 0.00 C +ATOM 222 C GLY A 15 9.049 -1.393 -1.840 1.00 0.00 C +ATOM 223 O GLY A 15 9.855 -0.483 -1.659 1.00 0.00 O +ATOM 224 H GLY A 15 8.407 -3.857 0.081 1.00 0.00 H +ATOM 225 HA2 GLY A 15 10.287 -2.809 -0.807 1.00 0.00 H +ATOM 226 HA3 GLY A 15 9.786 -3.320 -2.417 1.00 0.00 H +ATOM 227 N ARG A 16 7.819 -1.163 -2.323 1.00 0.00 N +ATOM 228 CA ARG A 16 7.267 0.167 -2.623 1.00 0.00 C +ATOM 229 C ARG A 16 6.861 0.912 -1.332 1.00 0.00 C +ATOM 230 O ARG A 16 6.127 0.334 -0.526 1.00 0.00 O +ATOM 231 CB ARG A 16 6.068 -0.003 -3.571 1.00 0.00 C +ATOM 232 CG ARG A 16 5.414 1.333 -3.977 1.00 0.00 C +ATOM 233 CD ARG A 16 4.325 1.183 -5.049 1.00 0.00 C +ATOM 234 NE ARG A 16 3.153 0.425 -4.574 1.00 0.00 N +ATOM 235 CZ ARG A 16 2.950 -0.885 -4.652 1.00 0.00 C +ATOM 236 NH1 ARG A 16 3.781 -1.719 -5.224 1.00 0.00 N +ATOM 237 NH2 ARG A 16 1.882 -1.432 -4.137 1.00 0.00 N +ATOM 238 H ARG A 16 7.253 -1.991 -2.486 1.00 0.00 H +ATOM 239 HA ARG A 16 8.044 0.730 -3.139 1.00 0.00 H +ATOM 240 HB2 ARG A 16 6.405 -0.501 -4.460 1.00 0.00 H +ATOM 241 HB3 ARG A 16 5.323 -0.632 -3.081 1.00 0.00 H +ATOM 242 HG2 ARG A 16 4.972 1.774 -3.104 1.00 0.00 H +ATOM 243 HG3 ARG A 16 6.184 1.994 -4.374 1.00 0.00 H +ATOM 244 HD2 ARG A 16 4.002 2.161 -5.348 1.00 0.00 H +ATOM 245 HD3 ARG A 16 4.750 0.718 -5.940 1.00 0.00 H +ATOM 246 HE ARG A 16 2.420 0.960 -4.143 1.00 0.00 H +ATOM 247 HH11 ARG A 16 4.628 -1.423 -5.666 1.00 0.00 H +ATOM 248 HH12 ARG A 16 3.523 -2.718 -5.142 1.00 0.00 H +ATOM 249 HH21 ARG A 16 1.142 -0.941 -3.681 1.00 0.00 H +ATOM 250 HH22 ARG A 16 1.880 -2.460 -4.219 1.00 0.00 H +ATOM 251 N PRO A 17 7.251 2.191 -1.139 1.00 0.00 N +ATOM 252 CA PRO A 17 6.871 2.981 0.038 1.00 0.00 C +ATOM 253 C PRO A 17 5.351 3.255 0.119 1.00 0.00 C +ATOM 254 O PRO A 17 4.652 3.132 -0.890 1.00 0.00 O +ATOM 255 CB PRO A 17 7.673 4.286 -0.077 1.00 0.00 C +ATOM 256 CG PRO A 17 7.906 4.435 -1.577 1.00 0.00 C +ATOM 257 CD PRO A 17 8.086 2.989 -2.028 1.00 0.00 C +ATOM 258 HA PRO A 17 7.180 2.447 0.936 1.00 0.00 H +ATOM 259 HB2 PRO A 17 7.111 5.116 0.307 1.00 0.00 H +ATOM 260 HB3 PRO A 17 8.633 4.169 0.430 1.00 0.00 H +ATOM 261 HG2 PRO A 17 7.061 4.889 -2.058 1.00 0.00 H +ATOM 262 HG3 PRO A 17 8.783 5.042 -1.795 1.00 0.00 H +ATOM 263 HD2 PRO A 17 7.767 2.872 -3.046 1.00 0.00 H +ATOM 264 HD3 PRO A 17 9.129 2.692 -1.905 1.00 0.00 H +ATOM 265 N PRO A 18 4.829 3.643 1.300 1.00 0.00 N +ATOM 266 CA PRO A 18 3.403 3.904 1.495 1.00 0.00 C +ATOM 267 C PRO A 18 2.923 5.149 0.722 1.00 0.00 C +ATOM 268 O PRO A 18 3.644 6.147 0.672 1.00 0.00 O +ATOM 269 CB PRO A 18 3.222 4.081 3.006 1.00 0.00 C +ATOM 270 CG PRO A 18 4.595 4.541 3.490 1.00 0.00 C +ATOM 271 CD PRO A 18 5.551 3.810 2.554 1.00 0.00 C +ATOM 272 HA PRO A 18 2.843 3.030 1.174 1.00 0.00 H +ATOM 273 HB2 PRO A 18 2.475 4.822 3.217 1.00 0.00 H +ATOM 274 HB3 PRO A 18 2.979 3.120 3.459 1.00 0.00 H +ATOM 275 HG2 PRO A 18 4.701 5.605 3.396 1.00 0.00 H +ATOM 276 HG3 PRO A 18 4.768 4.278 4.535 1.00 0.00 H +ATOM 277 HD2 PRO A 18 6.440 4.391 2.399 1.00 0.00 H +ATOM 278 HD3 PRO A 18 5.790 2.828 2.968 1.00 0.00 H +ATOM 279 N PRO A 19 1.700 5.129 0.152 1.00 0.00 N +ATOM 280 CA PRO A 19 1.125 6.268 -0.557 1.00 0.00 C +ATOM 281 C PRO A 19 0.575 7.306 0.435 1.00 0.00 C +ATOM 282 O PRO A 19 -0.344 7.009 1.205 1.00 0.00 O +ATOM 283 CB PRO A 19 0.028 5.669 -1.440 1.00 0.00 C +ATOM 284 CG PRO A 19 -0.475 4.478 -0.625 1.00 0.00 C +ATOM 285 CD PRO A 19 0.782 3.998 0.106 1.00 0.00 C +ATOM 286 HA PRO A 19 1.879 6.738 -1.190 1.00 0.00 H +ATOM 287 HB2 PRO A 19 -0.759 6.379 -1.608 1.00 0.00 H +ATOM 288 HB3 PRO A 19 0.474 5.307 -2.369 1.00 0.00 H +ATOM 289 HG2 PRO A 19 -1.233 4.781 0.071 1.00 0.00 H +ATOM 290 HG3 PRO A 19 -0.891 3.701 -1.265 1.00 0.00 H +ATOM 291 HD2 PRO A 19 0.533 3.683 1.101 1.00 0.00 H +ATOM 292 HD3 PRO A 19 1.245 3.191 -0.461 1.00 0.00 H +ATOM 293 N SER A 20 1.145 8.513 0.410 1.00 0.00 N +ATOM 294 CA SER A 20 0.696 9.699 1.148 1.00 0.00 C +ATOM 295 C SER A 20 -0.231 10.590 0.317 1.00 0.00 C +ATOM 296 O SER A 20 -1.174 11.122 0.943 1.00 0.00 O +ATOM 297 CB SER A 20 1.911 10.475 1.671 1.00 0.00 C +ATOM 298 OG SER A 20 2.908 10.615 0.673 1.00 0.00 O +ATOM 299 OXT SER A 20 -0.010 10.716 -0.908 1.00 0.00 O +ATOM 300 H SER A 20 1.907 8.704 -0.228 1.00 0.00 H +ATOM 301 HA SER A 20 0.105 9.384 2.006 1.00 0.00 H +ATOM 302 HB2 SER A 20 1.593 11.450 1.985 1.00 0.00 H +ATOM 303 HB3 SER A 20 2.334 9.927 2.515 1.00 0.00 H +ATOM 304 HG SER A 20 3.569 11.243 0.968 1.00 0.00 H +TER 305 SER A 20 +ENDMDL +MODEL 3 +ATOM 1 N ASN A 1 -6.589 7.754 -0.571 1.00 0.00 N +ATOM 2 CA ASN A 1 -7.389 6.514 -0.405 1.00 0.00 C +ATOM 3 C ASN A 1 -6.780 5.255 -1.052 1.00 0.00 C +ATOM 4 O ASN A 1 -7.487 4.266 -1.200 1.00 0.00 O +ATOM 5 CB ASN A 1 -8.845 6.767 -0.857 1.00 0.00 C +ATOM 6 CG ASN A 1 -9.521 7.797 0.047 1.00 0.00 C +ATOM 7 OD1 ASN A 1 -8.922 8.257 1.009 1.00 0.00 O +ATOM 8 ND2 ASN A 1 -10.737 8.213 -0.242 1.00 0.00 N +ATOM 9 H1 ASN A 1 -5.686 7.665 -0.127 1.00 0.00 H +ATOM 10 H2 ASN A 1 -6.476 7.977 -1.550 1.00 0.00 H +ATOM 11 H3 ASN A 1 -7.086 8.512 -0.117 1.00 0.00 H +ATOM 12 HA ASN A 1 -7.439 6.298 0.664 1.00 0.00 H +ATOM 13 HB2 ASN A 1 -8.842 7.132 -1.866 1.00 0.00 H +ATOM 14 HB3 ASN A 1 -9.424 5.843 -0.797 1.00 0.00 H +ATOM 15 HD21 ASN A 1 -11.261 7.891 -1.039 1.00 0.00 H +ATOM 16 HD22 ASN A 1 -11.125 8.874 0.414 1.00 0.00 H +ATOM 17 N LEU A 2 -5.480 5.231 -1.392 1.00 0.00 N +ATOM 18 CA LEU A 2 -4.832 4.056 -2.001 1.00 0.00 C +ATOM 19 C LEU A 2 -4.184 3.091 -0.988 1.00 0.00 C +ATOM 20 O LEU A 2 -3.640 2.061 -1.389 1.00 0.00 O +ATOM 21 CB LEU A 2 -3.822 4.536 -3.062 1.00 0.00 C +ATOM 22 CG LEU A 2 -4.511 4.943 -4.385 1.00 0.00 C +ATOM 23 CD1 LEU A 2 -4.400 6.448 -4.640 1.00 0.00 C +ATOM 24 CD2 LEU A 2 -3.900 4.181 -5.563 1.00 0.00 C +ATOM 25 H LEU A 2 -4.873 6.022 -1.250 1.00 0.00 H +ATOM 26 HA LEU A 2 -5.585 3.455 -2.516 1.00 0.00 H +ATOM 27 HB2 LEU A 2 -3.291 5.384 -2.674 1.00 0.00 H +ATOM 28 HB3 LEU A 2 -3.120 3.726 -3.266 1.00 0.00 H +ATOM 29 HG LEU A 2 -5.571 4.692 -4.345 1.00 0.00 H +ATOM 30 HD11 LEU A 2 -4.890 6.998 -3.839 1.00 0.00 H +ATOM 31 HD12 LEU A 2 -3.352 6.744 -4.701 1.00 0.00 H +ATOM 32 HD13 LEU A 2 -4.890 6.694 -5.582 1.00 0.00 H +ATOM 33 HD21 LEU A 2 -2.824 4.351 -5.605 1.00 0.00 H +ATOM 34 HD22 LEU A 2 -4.093 3.114 -5.443 1.00 0.00 H +ATOM 35 HD23 LEU A 2 -4.353 4.513 -6.498 1.00 0.00 H +ATOM 36 N TYR A 3 -4.252 3.387 0.316 1.00 0.00 N +ATOM 37 CA TYR A 3 -3.584 2.609 1.367 1.00 0.00 C +ATOM 38 C TYR A 3 -4.003 1.131 1.375 1.00 0.00 C +ATOM 39 O TYR A 3 -3.167 0.257 1.584 1.00 0.00 O +ATOM 40 CB TYR A 3 -3.828 3.261 2.737 1.00 0.00 C +ATOM 41 CG TYR A 3 -2.625 3.147 3.649 1.00 0.00 C +ATOM 42 CD1 TYR A 3 -2.431 2.000 4.441 1.00 0.00 C +ATOM 43 CD2 TYR A 3 -1.668 4.180 3.663 1.00 0.00 C +ATOM 44 CE1 TYR A 3 -1.274 1.880 5.234 1.00 0.00 C +ATOM 45 CE2 TYR A 3 -0.512 4.070 4.456 1.00 0.00 C +ATOM 46 CZ TYR A 3 -0.306 2.910 5.235 1.00 0.00 C +ATOM 47 OH TYR A 3 0.828 2.769 5.969 1.00 0.00 O +ATOM 48 H TYR A 3 -4.725 4.233 0.586 1.00 0.00 H +ATOM 49 HA TYR A 3 -2.512 2.640 1.167 1.00 0.00 H +ATOM 50 HB2 TYR A 3 -4.053 4.300 2.590 1.00 0.00 H +ATOM 51 HB3 TYR A 3 -4.698 2.806 3.217 1.00 0.00 H +ATOM 52 HD1 TYR A 3 -3.165 1.208 4.426 1.00 0.00 H +ATOM 53 HD2 TYR A 3 -1.819 5.061 3.058 1.00 0.00 H +ATOM 54 HE1 TYR A 3 -1.103 1.003 5.839 1.00 0.00 H +ATOM 55 HE2 TYR A 3 0.213 4.873 4.463 1.00 0.00 H +ATOM 56 HH TYR A 3 1.448 3.481 5.798 1.00 0.00 H +ATOM 57 N ILE A 4 -5.279 0.849 1.085 1.00 0.00 N +ATOM 58 CA ILE A 4 -5.832 -0.507 0.951 1.00 0.00 C +ATOM 59 C ILE A 4 -5.162 -1.250 -0.218 1.00 0.00 C +ATOM 60 O ILE A 4 -4.774 -2.406 -0.080 1.00 0.00 O +ATOM 61 CB ILE A 4 -7.364 -0.433 0.749 1.00 0.00 C +ATOM 62 CG1 ILE A 4 -8.090 0.338 1.884 1.00 0.00 C +ATOM 63 CG2 ILE A 4 -7.975 -1.842 0.631 1.00 0.00 C +ATOM 64 CD1 ILE A 4 -9.163 1.282 1.326 1.00 0.00 C +ATOM 65 H ILE A 4 -5.896 1.633 0.934 1.00 0.00 H +ATOM 66 HA ILE A 4 -5.625 -1.065 1.865 1.00 0.00 H +ATOM 67 HB ILE A 4 -7.545 0.087 -0.194 1.00 0.00 H +ATOM 68 HG12 ILE A 4 -8.556 -0.369 2.543 1.00 0.00 H +ATOM 69 HG13 ILE A 4 -7.392 0.938 2.466 1.00 0.00 H +ATOM 70 HG21 ILE A 4 -7.611 -2.347 -0.263 1.00 0.00 H +ATOM 71 HG22 ILE A 4 -7.710 -2.438 1.506 1.00 0.00 H +ATOM 72 HG23 ILE A 4 -9.061 -1.773 0.565 1.00 0.00 H +ATOM 73 HD11 ILE A 4 -8.695 2.037 0.690 1.00 0.00 H +ATOM 74 HD12 ILE A 4 -9.891 0.720 0.741 1.00 0.00 H +ATOM 75 HD13 ILE A 4 -9.673 1.781 2.148 1.00 0.00 H +ATOM 76 N GLN A 5 -5.009 -0.575 -1.365 1.00 0.00 N +ATOM 77 CA GLN A 5 -4.335 -1.103 -2.553 1.00 0.00 C +ATOM 78 C GLN A 5 -2.863 -1.419 -2.249 1.00 0.00 C +ATOM 79 O GLN A 5 -2.395 -2.511 -2.553 1.00 0.00 O +ATOM 80 CB GLN A 5 -4.497 -0.107 -3.724 1.00 0.00 C +ATOM 81 CG GLN A 5 -4.929 -0.785 -5.036 1.00 0.00 C +ATOM 82 CD GLN A 5 -3.943 -1.843 -5.517 1.00 0.00 C +ATOM 83 OE1 GLN A 5 -4.193 -3.032 -5.373 1.00 0.00 O +ATOM 84 NE2 GLN A 5 -2.824 -1.457 -6.094 1.00 0.00 N +ATOM 85 H GLN A 5 -5.260 0.403 -1.368 1.00 0.00 H +ATOM 86 HA GLN A 5 -4.818 -2.043 -2.816 1.00 0.00 H +ATOM 87 HB2 GLN A 5 -5.239 0.620 -3.454 1.00 0.00 H +ATOM 88 HB3 GLN A 5 -3.566 0.435 -3.888 1.00 0.00 H +ATOM 89 HG2 GLN A 5 -5.882 -1.252 -4.881 1.00 0.00 H +ATOM 90 HG3 GLN A 5 -5.049 -0.026 -5.809 1.00 0.00 H +ATOM 91 HE21 GLN A 5 -2.586 -0.491 -6.238 1.00 0.00 H +ATOM 92 HE22 GLN A 5 -2.170 -2.206 -6.277 1.00 0.00 H +ATOM 93 N TRP A 6 -2.154 -0.497 -1.588 1.00 0.00 N +ATOM 94 CA TRP A 6 -0.771 -0.717 -1.152 1.00 0.00 C +ATOM 95 C TRP A 6 -0.632 -1.844 -0.111 1.00 0.00 C +ATOM 96 O TRP A 6 0.256 -2.687 -0.229 1.00 0.00 O +ATOM 97 CB TRP A 6 -0.212 0.604 -0.620 1.00 0.00 C +ATOM 98 CG TRP A 6 1.197 0.514 -0.129 1.00 0.00 C +ATOM 99 CD1 TRP A 6 2.296 0.452 -0.915 1.00 0.00 C +ATOM 100 CD2 TRP A 6 1.679 0.425 1.247 1.00 0.00 C +ATOM 101 NE1 TRP A 6 3.420 0.332 -0.121 1.00 0.00 N +ATOM 102 CE2 TRP A 6 3.101 0.324 1.215 1.00 0.00 C +ATOM 103 CE3 TRP A 6 1.066 0.422 2.519 1.00 0.00 C +ATOM 104 CZ2 TRP A 6 3.882 0.249 2.375 1.00 0.00 C +ATOM 105 CZ3 TRP A 6 1.839 0.334 3.694 1.00 0.00 C +ATOM 106 CH2 TRP A 6 3.243 0.260 3.625 1.00 0.00 C +ATOM 107 H TRP A 6 -2.607 0.391 -1.386 1.00 0.00 H +ATOM 108 HA TRP A 6 -0.178 -1.016 -2.020 1.00 0.00 H +ATOM 109 HB2 TRP A 6 -0.248 1.329 -1.411 1.00 0.00 H +ATOM 110 HB3 TRP A 6 -0.841 0.958 0.197 1.00 0.00 H +ATOM 111 HD1 TRP A 6 2.289 0.483 -1.998 1.00 0.00 H +ATOM 112 HE1 TRP A 6 4.387 0.296 -0.451 1.00 0.00 H +ATOM 113 HE3 TRP A 6 -0.010 0.498 2.586 1.00 0.00 H +ATOM 114 HZ2 TRP A 6 4.957 0.179 2.290 1.00 0.00 H +ATOM 115 HZ3 TRP A 6 1.352 0.341 4.659 1.00 0.00 H +ATOM 116 HH2 TRP A 6 3.829 0.212 4.531 1.00 0.00 H +ATOM 117 N LEU A 7 -1.520 -1.904 0.893 1.00 0.00 N +ATOM 118 CA LEU A 7 -1.537 -3.007 1.858 1.00 0.00 C +ATOM 119 C LEU A 7 -1.844 -4.359 1.198 1.00 0.00 C +ATOM 120 O LEU A 7 -1.228 -5.350 1.586 1.00 0.00 O +ATOM 121 CB LEU A 7 -2.520 -2.723 3.008 1.00 0.00 C +ATOM 122 CG LEU A 7 -2.010 -1.728 4.070 1.00 0.00 C +ATOM 123 CD1 LEU A 7 -3.122 -1.497 5.096 1.00 0.00 C +ATOM 124 CD2 LEU A 7 -0.775 -2.236 4.826 1.00 0.00 C +ATOM 125 H LEU A 7 -2.201 -1.155 0.992 1.00 0.00 H +ATOM 126 HA LEU A 7 -0.534 -3.107 2.271 1.00 0.00 H +ATOM 127 HB2 LEU A 7 -3.422 -2.325 2.584 1.00 0.00 H +ATOM 128 HB3 LEU A 7 -2.740 -3.665 3.514 1.00 0.00 H +ATOM 129 HG LEU A 7 -1.763 -0.780 3.597 1.00 0.00 H +ATOM 130 HD11 LEU A 7 -4.006 -1.098 4.599 1.00 0.00 H +ATOM 131 HD12 LEU A 7 -3.380 -2.437 5.585 1.00 0.00 H +ATOM 132 HD13 LEU A 7 -2.791 -0.787 5.854 1.00 0.00 H +ATOM 133 HD21 LEU A 7 -0.973 -3.222 5.249 1.00 0.00 H +ATOM 134 HD22 LEU A 7 0.080 -2.296 4.155 1.00 0.00 H +ATOM 135 HD23 LEU A 7 -0.521 -1.546 5.630 1.00 0.00 H +ATOM 136 N LYS A 8 -2.716 -4.413 0.176 1.00 0.00 N +ATOM 137 CA LYS A 8 -2.930 -5.631 -0.629 1.00 0.00 C +ATOM 138 C LYS A 8 -1.639 -6.169 -1.261 1.00 0.00 C +ATOM 139 O LYS A 8 -1.492 -7.384 -1.349 1.00 0.00 O +ATOM 140 CB LYS A 8 -3.989 -5.413 -1.725 1.00 0.00 C +ATOM 141 CG LYS A 8 -5.424 -5.638 -1.230 1.00 0.00 C +ATOM 142 CD LYS A 8 -6.411 -5.713 -2.404 1.00 0.00 C +ATOM 143 CE LYS A 8 -6.685 -4.341 -3.038 1.00 0.00 C +ATOM 144 NZ LYS A 8 -6.352 -4.311 -4.482 1.00 0.00 N +ATOM 145 H LYS A 8 -3.241 -3.572 -0.051 1.00 0.00 H +ATOM 146 HA LYS A 8 -3.274 -6.422 0.036 1.00 0.00 H +ATOM 147 HB2 LYS A 8 -3.906 -4.405 -2.084 1.00 0.00 H +ATOM 148 HB3 LYS A 8 -3.797 -6.130 -2.525 1.00 0.00 H +ATOM 149 HG2 LYS A 8 -5.464 -6.558 -0.680 1.00 0.00 H +ATOM 150 HG3 LYS A 8 -5.719 -4.846 -0.542 1.00 0.00 H +ATOM 151 HD2 LYS A 8 -6.003 -6.362 -3.154 1.00 0.00 H +ATOM 152 HD3 LYS A 8 -7.356 -6.108 -2.033 1.00 0.00 H +ATOM 153 HE2 LYS A 8 -7.726 -4.108 -2.919 1.00 0.00 H +ATOM 154 HE3 LYS A 8 -6.117 -3.577 -2.500 1.00 0.00 H +ATOM 155 HZ1 LYS A 8 -5.352 -4.135 -4.636 1.00 0.00 H +ATOM 156 HZ2 LYS A 8 -6.602 -5.176 -4.938 1.00 0.00 H +ATOM 157 HZ3 LYS A 8 -6.827 -3.549 -4.942 1.00 0.00 H +ATOM 158 N ASP A 9 -0.694 -5.301 -1.644 1.00 0.00 N +ATOM 159 CA ASP A 9 0.627 -5.715 -2.141 1.00 0.00 C +ATOM 160 C ASP A 9 1.545 -6.280 -1.027 1.00 0.00 C +ATOM 161 O ASP A 9 2.653 -6.733 -1.322 1.00 0.00 O +ATOM 162 CB ASP A 9 1.362 -4.545 -2.833 1.00 0.00 C +ATOM 163 CG ASP A 9 0.631 -3.826 -3.974 1.00 0.00 C +ATOM 164 OD1 ASP A 9 -0.157 -4.486 -4.688 1.00 0.00 O +ATOM 165 OD2 ASP A 9 0.959 -2.631 -4.185 1.00 0.00 O +ATOM 166 H ASP A 9 -0.905 -4.313 -1.586 1.00 0.00 H +ATOM 167 HA ASP A 9 0.482 -6.505 -2.880 1.00 0.00 H +ATOM 168 HB2 ASP A 9 1.582 -3.813 -2.080 1.00 0.00 H +ATOM 169 HB3 ASP A 9 2.279 -4.946 -3.266 1.00 0.00 H +ATOM 170 N GLY A 10 1.135 -6.232 0.250 1.00 0.00 N +ATOM 171 CA GLY A 10 1.917 -6.656 1.417 1.00 0.00 C +ATOM 172 C GLY A 10 2.414 -5.500 2.294 1.00 0.00 C +ATOM 173 O GLY A 10 3.054 -5.736 3.320 1.00 0.00 O +ATOM 174 H GLY A 10 0.200 -5.879 0.438 1.00 0.00 H +ATOM 175 HA2 GLY A 10 1.298 -7.304 2.035 1.00 0.00 H +ATOM 176 HA3 GLY A 10 2.784 -7.233 1.096 1.00 0.00 H +ATOM 177 N GLY A 11 2.142 -4.244 1.916 1.00 0.00 N +ATOM 178 CA GLY A 11 2.643 -3.083 2.643 1.00 0.00 C +ATOM 179 C GLY A 11 4.182 -3.056 2.660 1.00 0.00 C +ATOM 180 O GLY A 11 4.791 -3.197 1.594 1.00 0.00 O +ATOM 181 H GLY A 11 1.623 -4.089 1.059 1.00 0.00 H +ATOM 182 HA2 GLY A 11 2.286 -2.178 2.156 1.00 0.00 H +ATOM 183 HA3 GLY A 11 2.244 -3.115 3.654 1.00 0.00 H +ATOM 184 N PRO A 12 4.842 -2.900 3.832 1.00 0.00 N +ATOM 185 CA PRO A 12 6.302 -2.829 3.917 1.00 0.00 C +ATOM 186 C PRO A 12 7.030 -4.020 3.276 1.00 0.00 C +ATOM 187 O PRO A 12 8.132 -3.843 2.757 1.00 0.00 O +ATOM 188 CB PRO A 12 6.642 -2.717 5.411 1.00 0.00 C +ATOM 189 CG PRO A 12 5.352 -2.223 6.059 1.00 0.00 C +ATOM 190 CD PRO A 12 4.260 -2.809 5.166 1.00 0.00 C +ATOM 191 HA PRO A 12 6.628 -1.916 3.416 1.00 0.00 H +ATOM 192 HB2 PRO A 12 6.925 -3.673 5.809 1.00 0.00 H +ATOM 193 HB3 PRO A 12 7.463 -2.016 5.581 1.00 0.00 H +ATOM 194 HG2 PRO A 12 5.263 -2.588 7.064 1.00 0.00 H +ATOM 195 HG3 PRO A 12 5.314 -1.133 6.017 1.00 0.00 H +ATOM 196 HD2 PRO A 12 3.974 -3.782 5.516 1.00 0.00 H +ATOM 197 HD3 PRO A 12 3.381 -2.165 5.191 1.00 0.00 H +ATOM 198 N SER A 13 6.424 -5.220 3.257 1.00 0.00 N +ATOM 199 CA SER A 13 7.055 -6.413 2.675 1.00 0.00 C +ATOM 200 C SER A 13 7.230 -6.327 1.155 1.00 0.00 C +ATOM 201 O SER A 13 8.109 -6.992 0.615 1.00 0.00 O +ATOM 202 CB SER A 13 6.276 -7.683 3.042 1.00 0.00 C +ATOM 203 OG SER A 13 5.083 -7.810 2.296 1.00 0.00 O +ATOM 204 H SER A 13 5.479 -5.307 3.613 1.00 0.00 H +ATOM 205 HA SER A 13 8.051 -6.506 3.109 1.00 0.00 H +ATOM 206 HB2 SER A 13 6.897 -8.537 2.850 1.00 0.00 H +ATOM 207 HB3 SER A 13 6.031 -7.660 4.105 1.00 0.00 H +ATOM 208 HG SER A 13 5.284 -8.181 1.431 1.00 0.00 H +ATOM 209 N SER A 14 6.424 -5.506 0.464 1.00 0.00 N +ATOM 210 CA SER A 14 6.562 -5.254 -0.977 1.00 0.00 C +ATOM 211 C SER A 14 7.683 -4.260 -1.316 1.00 0.00 C +ATOM 212 O SER A 14 7.958 -4.028 -2.492 1.00 0.00 O +ATOM 213 CB SER A 14 5.232 -4.754 -1.561 1.00 0.00 C +ATOM 214 OG SER A 14 4.689 -5.759 -2.390 1.00 0.00 O +ATOM 215 H SER A 14 5.730 -4.974 0.980 1.00 0.00 H +ATOM 216 HA SER A 14 6.816 -6.193 -1.471 1.00 0.00 H +ATOM 217 HB2 SER A 14 4.548 -4.536 -0.764 1.00 0.00 H +ATOM 218 HB3 SER A 14 5.400 -3.866 -2.170 1.00 0.00 H +ATOM 219 HG SER A 14 3.898 -6.171 -1.941 1.00 0.00 H +ATOM 220 N GLY A 15 8.320 -3.632 -0.318 1.00 0.00 N +ATOM 221 CA GLY A 15 9.452 -2.715 -0.493 1.00 0.00 C +ATOM 222 C GLY A 15 9.088 -1.324 -1.031 1.00 0.00 C +ATOM 223 O GLY A 15 9.745 -0.349 -0.674 1.00 0.00 O +ATOM 224 H GLY A 15 8.043 -3.844 0.636 1.00 0.00 H +ATOM 225 HA2 GLY A 15 9.948 -2.591 0.468 1.00 0.00 H +ATOM 226 HA3 GLY A 15 10.165 -3.167 -1.183 1.00 0.00 H +ATOM 227 N ARG A 16 8.043 -1.206 -1.866 1.00 0.00 N +ATOM 228 CA ARG A 16 7.509 0.078 -2.349 1.00 0.00 C +ATOM 229 C ARG A 16 6.942 0.905 -1.177 1.00 0.00 C +ATOM 230 O ARG A 16 6.183 0.348 -0.380 1.00 0.00 O +ATOM 231 CB ARG A 16 6.426 -0.188 -3.413 1.00 0.00 C +ATOM 232 CG ARG A 16 5.953 1.107 -4.102 1.00 0.00 C +ATOM 233 CD ARG A 16 4.797 0.884 -5.083 1.00 0.00 C +ATOM 234 NE ARG A 16 5.176 -0.019 -6.186 1.00 0.00 N +ATOM 235 CZ ARG A 16 4.649 -1.200 -6.493 1.00 0.00 C +ATOM 236 NH1 ARG A 16 3.626 -1.720 -5.848 1.00 0.00 N +ATOM 237 NH2 ARG A 16 5.165 -1.891 -7.482 1.00 0.00 N +ATOM 238 H ARG A 16 7.615 -2.078 -2.159 1.00 0.00 H +ATOM 239 HA ARG A 16 8.337 0.615 -2.807 1.00 0.00 H +ATOM 240 HB2 ARG A 16 6.828 -0.848 -4.157 1.00 0.00 H +ATOM 241 HB3 ARG A 16 5.573 -0.680 -2.944 1.00 0.00 H +ATOM 242 HG2 ARG A 16 5.630 1.797 -3.346 1.00 0.00 H +ATOM 243 HG3 ARG A 16 6.793 1.555 -4.637 1.00 0.00 H +ATOM 244 HD2 ARG A 16 3.970 0.454 -4.552 1.00 0.00 H +ATOM 245 HD3 ARG A 16 4.515 1.851 -5.503 1.00 0.00 H +ATOM 246 HE ARG A 16 5.943 0.289 -6.761 1.00 0.00 H +ATOM 247 HH11 ARG A 16 3.180 -1.223 -5.093 1.00 0.00 H +ATOM 248 HH12 ARG A 16 3.231 -2.612 -6.088 1.00 0.00 H +ATOM 249 HH21 ARG A 16 5.951 -1.541 -8.001 1.00 0.00 H +ATOM 250 HH22 ARG A 16 4.778 -2.789 -7.706 1.00 0.00 H +ATOM 251 N PRO A 17 7.224 2.222 -1.082 1.00 0.00 N +ATOM 252 CA PRO A 17 6.670 3.081 -0.030 1.00 0.00 C +ATOM 253 C PRO A 17 5.138 3.240 -0.131 1.00 0.00 C +ATOM 254 O PRO A 17 4.571 3.021 -1.206 1.00 0.00 O +ATOM 255 CB PRO A 17 7.384 4.430 -0.195 1.00 0.00 C +ATOM 256 CG PRO A 17 7.755 4.460 -1.675 1.00 0.00 C +ATOM 257 CD PRO A 17 8.084 2.998 -1.964 1.00 0.00 C +ATOM 258 HA PRO A 17 6.923 2.656 0.942 1.00 0.00 H +ATOM 259 HB2 PRO A 17 6.729 5.243 0.053 1.00 0.00 H +ATOM 260 HB3 PRO A 17 8.293 4.437 0.408 1.00 0.00 H +ATOM 261 HG2 PRO A 17 6.932 4.798 -2.274 1.00 0.00 H +ATOM 262 HG3 PRO A 17 8.607 5.114 -1.870 1.00 0.00 H +ATOM 263 HD2 PRO A 17 7.877 2.763 -2.990 1.00 0.00 H +ATOM 264 HD3 PRO A 17 9.127 2.798 -1.720 1.00 0.00 H +ATOM 265 N PRO A 18 4.461 3.639 0.965 1.00 0.00 N +ATOM 266 CA PRO A 18 3.015 3.863 0.981 1.00 0.00 C +ATOM 267 C PRO A 18 2.598 5.121 0.193 1.00 0.00 C +ATOM 268 O PRO A 18 3.428 5.993 -0.068 1.00 0.00 O +ATOM 269 CB PRO A 18 2.645 3.981 2.465 1.00 0.00 C +ATOM 270 CG PRO A 18 3.916 4.525 3.112 1.00 0.00 C +ATOM 271 CD PRO A 18 5.026 3.878 2.287 1.00 0.00 C +ATOM 272 HA PRO A 18 2.518 2.995 0.551 1.00 0.00 H +ATOM 273 HB2 PRO A 18 1.825 4.659 2.602 1.00 0.00 H +ATOM 274 HB3 PRO A 18 2.430 2.993 2.869 1.00 0.00 H +ATOM 275 HG2 PRO A 18 3.957 5.595 3.042 1.00 0.00 H +ATOM 276 HG3 PRO A 18 3.983 4.249 4.165 1.00 0.00 H +ATOM 277 HD2 PRO A 18 5.870 4.536 2.218 1.00 0.00 H +ATOM 278 HD3 PRO A 18 5.309 2.925 2.736 1.00 0.00 H +ATOM 279 N PRO A 19 1.304 5.247 -0.167 1.00 0.00 N +ATOM 280 CA PRO A 19 0.774 6.401 -0.902 1.00 0.00 C +ATOM 281 C PRO A 19 0.569 7.659 -0.043 1.00 0.00 C +ATOM 282 O PRO A 19 0.515 8.755 -0.597 1.00 0.00 O +ATOM 283 CB PRO A 19 -0.568 5.927 -1.467 1.00 0.00 C +ATOM 284 CG PRO A 19 -1.027 4.877 -0.459 1.00 0.00 C +ATOM 285 CD PRO A 19 0.279 4.224 -0.018 1.00 0.00 C +ATOM 286 HA PRO A 19 1.443 6.655 -1.727 1.00 0.00 H +ATOM 287 HB2 PRO A 19 -1.269 6.738 -1.523 1.00 0.00 H +ATOM 288 HB3 PRO A 19 -0.411 5.458 -2.438 1.00 0.00 H +ATOM 289 HG2 PRO A 19 -1.528 5.334 0.372 1.00 0.00 H +ATOM 290 HG3 PRO A 19 -1.691 4.148 -0.918 1.00 0.00 H +ATOM 291 HD2 PRO A 19 0.212 3.908 1.005 1.00 0.00 H +ATOM 292 HD3 PRO A 19 0.512 3.395 -0.684 1.00 0.00 H +ATOM 293 N SER A 20 0.445 7.509 1.283 1.00 0.00 N +ATOM 294 CA SER A 20 0.349 8.586 2.279 1.00 0.00 C +ATOM 295 C SER A 20 1.387 8.402 3.380 1.00 0.00 C +ATOM 296 O SER A 20 1.887 9.446 3.847 1.00 0.00 O +ATOM 297 CB SER A 20 -1.064 8.699 2.867 1.00 0.00 C +ATOM 298 OG SER A 20 -1.468 7.515 3.527 1.00 0.00 O +ATOM 299 OXT SER A 20 1.609 7.229 3.761 1.00 0.00 O +ATOM 300 H SER A 20 0.533 6.584 1.677 1.00 0.00 H +ATOM 301 HA SER A 20 0.581 9.535 1.797 1.00 0.00 H +ATOM 302 HB2 SER A 20 -1.081 9.509 3.570 1.00 0.00 H +ATOM 303 HB3 SER A 20 -1.771 8.923 2.068 1.00 0.00 H +ATOM 304 HG SER A 20 -0.877 7.386 4.279 1.00 0.00 H +TER 305 SER A 20 +ENDMDL +MODEL 4 +ATOM 1 N ASN A 1 -7.996 5.298 -0.779 1.00 0.00 N +ATOM 2 CA ASN A 1 -7.990 4.067 -1.611 1.00 0.00 C +ATOM 3 C ASN A 1 -6.595 3.515 -1.890 1.00 0.00 C +ATOM 4 O ASN A 1 -6.409 2.326 -1.667 1.00 0.00 O +ATOM 5 CB ASN A 1 -8.817 4.236 -2.891 1.00 0.00 C +ATOM 6 CG ASN A 1 -10.260 4.485 -2.482 1.00 0.00 C +ATOM 7 OD1 ASN A 1 -10.595 5.590 -2.090 1.00 0.00 O +ATOM 8 ND2 ASN A 1 -11.097 3.465 -2.420 1.00 0.00 N +ATOM 9 H1 ASN A 1 -7.499 5.145 0.089 1.00 0.00 H +ATOM 10 H2 ASN A 1 -7.580 6.071 -1.279 1.00 0.00 H +ATOM 11 H3 ASN A 1 -8.957 5.549 -0.571 1.00 0.00 H +ATOM 12 HA ASN A 1 -8.483 3.285 -1.032 1.00 0.00 H +ATOM 13 HB2 ASN A 1 -8.449 5.070 -3.456 1.00 0.00 H +ATOM 14 HB3 ASN A 1 -8.756 3.334 -3.502 1.00 0.00 H +ATOM 15 HD21 ASN A 1 -10.855 2.524 -2.688 1.00 0.00 H +ATOM 16 HD22 ASN A 1 -12.028 3.700 -2.110 1.00 0.00 H +ATOM 17 N LEU A 2 -5.616 4.322 -2.330 1.00 0.00 N +ATOM 18 CA LEU A 2 -4.255 3.853 -2.649 1.00 0.00 C +ATOM 19 C LEU A 2 -3.609 2.984 -1.550 1.00 0.00 C +ATOM 20 O LEU A 2 -2.969 1.976 -1.846 1.00 0.00 O +ATOM 21 CB LEU A 2 -3.364 5.074 -2.976 1.00 0.00 C +ATOM 22 CG LEU A 2 -3.035 5.287 -4.464 1.00 0.00 C +ATOM 23 CD1 LEU A 2 -2.298 4.086 -5.067 1.00 0.00 C +ATOM 24 CD2 LEU A 2 -4.283 5.609 -5.288 1.00 0.00 C +ATOM 25 H LEU A 2 -5.808 5.284 -2.567 1.00 0.00 H +ATOM 26 HA LEU A 2 -4.324 3.212 -3.525 1.00 0.00 H +ATOM 27 HB2 LEU A 2 -3.868 5.953 -2.622 1.00 0.00 H +ATOM 28 HB3 LEU A 2 -2.413 4.965 -2.461 1.00 0.00 H +ATOM 29 HG LEU A 2 -2.366 6.146 -4.524 1.00 0.00 H +ATOM 30 HD11 LEU A 2 -1.513 3.750 -4.388 1.00 0.00 H +ATOM 31 HD12 LEU A 2 -2.985 3.262 -5.255 1.00 0.00 H +ATOM 32 HD13 LEU A 2 -1.840 4.380 -6.010 1.00 0.00 H +ATOM 33 HD21 LEU A 2 -4.988 4.779 -5.260 1.00 0.00 H +ATOM 34 HD22 LEU A 2 -4.758 6.509 -4.897 1.00 0.00 H +ATOM 35 HD23 LEU A 2 -3.993 5.793 -6.323 1.00 0.00 H +ATOM 36 N TYR A 3 -3.829 3.342 -0.280 1.00 0.00 N +ATOM 37 CA TYR A 3 -3.352 2.587 0.881 1.00 0.00 C +ATOM 38 C TYR A 3 -3.885 1.142 0.933 1.00 0.00 C +ATOM 39 O TYR A 3 -3.182 0.255 1.410 1.00 0.00 O +ATOM 40 CB TYR A 3 -3.714 3.350 2.166 1.00 0.00 C +ATOM 41 CG TYR A 3 -2.571 3.426 3.153 1.00 0.00 C +ATOM 42 CD1 TYR A 3 -2.238 2.307 3.939 1.00 0.00 C +ATOM 43 CD2 TYR A 3 -1.826 4.614 3.277 1.00 0.00 C +ATOM 44 CE1 TYR A 3 -1.172 2.377 4.854 1.00 0.00 C +ATOM 45 CE2 TYR A 3 -0.758 4.692 4.190 1.00 0.00 C +ATOM 46 CZ TYR A 3 -0.434 3.573 4.988 1.00 0.00 C +ATOM 47 OH TYR A 3 0.564 3.651 5.909 1.00 0.00 O +ATOM 48 H TYR A 3 -4.312 4.211 -0.115 1.00 0.00 H +ATOM 49 HA TYR A 3 -2.266 2.531 0.815 1.00 0.00 H +ATOM 50 HB2 TYR A 3 -4.003 4.349 1.900 1.00 0.00 H +ATOM 51 HB3 TYR A 3 -4.571 2.877 2.649 1.00 0.00 H +ATOM 52 HD1 TYR A 3 -2.810 1.398 3.838 1.00 0.00 H +ATOM 53 HD2 TYR A 3 -2.070 5.479 2.676 1.00 0.00 H +ATOM 54 HE1 TYR A 3 -0.916 1.531 5.472 1.00 0.00 H +ATOM 55 HE2 TYR A 3 -0.198 5.613 4.266 1.00 0.00 H +ATOM 56 HH TYR A 3 0.792 4.562 6.104 1.00 0.00 H +ATOM 57 N ILE A 4 -5.099 0.891 0.414 1.00 0.00 N +ATOM 58 CA ILE A 4 -5.705 -0.444 0.348 1.00 0.00 C +ATOM 59 C ILE A 4 -4.882 -1.332 -0.589 1.00 0.00 C +ATOM 60 O ILE A 4 -4.466 -2.411 -0.181 1.00 0.00 O +ATOM 61 CB ILE A 4 -7.191 -0.380 -0.086 1.00 0.00 C +ATOM 62 CG1 ILE A 4 -8.038 0.622 0.737 1.00 0.00 C +ATOM 63 CG2 ILE A 4 -7.836 -1.778 -0.048 1.00 0.00 C +ATOM 64 CD1 ILE A 4 -8.051 0.390 2.254 1.00 0.00 C +ATOM 65 H ILE A 4 -5.574 1.642 -0.074 1.00 0.00 H +ATOM 66 HA ILE A 4 -5.657 -0.892 1.341 1.00 0.00 H +ATOM 67 HB ILE A 4 -7.230 -0.049 -1.125 1.00 0.00 H +ATOM 68 HG12 ILE A 4 -7.652 1.607 0.557 1.00 0.00 H +ATOM 69 HG13 ILE A 4 -9.066 0.590 0.375 1.00 0.00 H +ATOM 70 HG21 ILE A 4 -7.351 -2.438 -0.767 1.00 0.00 H +ATOM 71 HG22 ILE A 4 -7.744 -2.214 0.948 1.00 0.00 H +ATOM 72 HG23 ILE A 4 -8.891 -1.708 -0.312 1.00 0.00 H +ATOM 73 HD11 ILE A 4 -8.463 -0.592 2.485 1.00 0.00 H +ATOM 74 HD12 ILE A 4 -7.043 0.470 2.659 1.00 0.00 H +ATOM 75 HD13 ILE A 4 -8.674 1.150 2.725 1.00 0.00 H +ATOM 76 N GLN A 5 -4.600 -0.857 -1.811 1.00 0.00 N +ATOM 77 CA GLN A 5 -3.712 -1.519 -2.775 1.00 0.00 C +ATOM 78 C GLN A 5 -2.314 -1.759 -2.183 1.00 0.00 C +ATOM 79 O GLN A 5 -1.803 -2.878 -2.255 1.00 0.00 O +ATOM 80 CB GLN A 5 -3.634 -0.674 -4.062 1.00 0.00 C +ATOM 81 CG GLN A 5 -4.792 -0.953 -5.031 1.00 0.00 C +ATOM 82 CD GLN A 5 -4.542 -2.214 -5.853 1.00 0.00 C +ATOM 83 OE1 GLN A 5 -4.848 -3.320 -5.436 1.00 0.00 O +ATOM 84 NE2 GLN A 5 -3.968 -2.093 -7.036 1.00 0.00 N +ATOM 85 H GLN A 5 -4.948 0.063 -2.038 1.00 0.00 H +ATOM 86 HA GLN A 5 -4.122 -2.500 -3.019 1.00 0.00 H +ATOM 87 HB2 GLN A 5 -3.656 0.364 -3.792 1.00 0.00 H +ATOM 88 HB3 GLN A 5 -2.694 -0.880 -4.579 1.00 0.00 H +ATOM 89 HG2 GLN A 5 -5.696 -1.078 -4.467 1.00 0.00 H +ATOM 90 HG3 GLN A 5 -4.898 -0.106 -5.710 1.00 0.00 H +ATOM 91 HE21 GLN A 5 -3.693 -1.205 -7.419 1.00 0.00 H +ATOM 92 HE22 GLN A 5 -3.810 -2.965 -7.512 1.00 0.00 H +ATOM 93 N TRP A 6 -1.713 -0.734 -1.561 1.00 0.00 N +ATOM 94 CA TRP A 6 -0.400 -0.841 -0.917 1.00 0.00 C +ATOM 95 C TRP A 6 -0.353 -1.931 0.171 1.00 0.00 C +ATOM 96 O TRP A 6 0.567 -2.757 0.175 1.00 0.00 O +ATOM 97 CB TRP A 6 0.005 0.531 -0.361 1.00 0.00 C +ATOM 98 CG TRP A 6 1.372 0.565 0.247 1.00 0.00 C +ATOM 99 CD1 TRP A 6 2.532 0.625 -0.442 1.00 0.00 C +ATOM 100 CD2 TRP A 6 1.747 0.483 1.657 1.00 0.00 C +ATOM 101 NE1 TRP A 6 3.594 0.565 0.438 1.00 0.00 N +ATOM 102 CE2 TRP A 6 3.169 0.480 1.743 1.00 0.00 C +ATOM 103 CE3 TRP A 6 1.032 0.393 2.872 1.00 0.00 C +ATOM 104 CZ2 TRP A 6 3.853 0.395 2.965 1.00 0.00 C +ATOM 105 CZ3 TRP A 6 1.707 0.293 4.104 1.00 0.00 C +ATOM 106 CH2 TRP A 6 3.112 0.296 4.154 1.00 0.00 C +ATOM 107 H TRP A 6 -2.186 0.167 -1.566 1.00 0.00 H +ATOM 108 HA TRP A 6 0.329 -1.126 -1.676 1.00 0.00 H +ATOM 109 HB2 TRP A 6 -0.024 1.242 -1.164 1.00 0.00 H +ATOM 110 HB3 TRP A 6 -0.716 0.838 0.395 1.00 0.00 H +ATOM 111 HD1 TRP A 6 2.616 0.684 -1.518 1.00 0.00 H +ATOM 112 HE1 TRP A 6 4.579 0.565 0.164 1.00 0.00 H +ATOM 113 HE3 TRP A 6 -0.046 0.398 2.841 1.00 0.00 H +ATOM 114 HZ2 TRP A 6 4.933 0.389 2.975 1.00 0.00 H +ATOM 115 HZ3 TRP A 6 1.142 0.218 5.022 1.00 0.00 H +ATOM 116 HH2 TRP A 6 3.621 0.223 5.106 1.00 0.00 H +ATOM 117 N LEU A 7 -1.360 -1.961 1.060 1.00 0.00 N +ATOM 118 CA LEU A 7 -1.529 -3.019 2.059 1.00 0.00 C +ATOM 119 C LEU A 7 -1.819 -4.386 1.425 1.00 0.00 C +ATOM 120 O LEU A 7 -1.263 -5.376 1.896 1.00 0.00 O +ATOM 121 CB LEU A 7 -2.645 -2.652 3.058 1.00 0.00 C +ATOM 122 CG LEU A 7 -2.265 -1.546 4.060 1.00 0.00 C +ATOM 123 CD1 LEU A 7 -3.504 -1.129 4.860 1.00 0.00 C +ATOM 124 CD2 LEU A 7 -1.186 -1.989 5.054 1.00 0.00 C +ATOM 125 H LEU A 7 -2.062 -1.224 1.020 1.00 0.00 H +ATOM 126 HA LEU A 7 -0.594 -3.131 2.603 1.00 0.00 H +ATOM 127 HB2 LEU A 7 -3.499 -2.320 2.500 1.00 0.00 H +ATOM 128 HB3 LEU A 7 -2.915 -3.543 3.627 1.00 0.00 H +ATOM 129 HG LEU A 7 -1.898 -0.680 3.518 1.00 0.00 H +ATOM 130 HD11 LEU A 7 -4.273 -0.762 4.181 1.00 0.00 H +ATOM 131 HD12 LEU A 7 -3.892 -1.977 5.422 1.00 0.00 H +ATOM 132 HD13 LEU A 7 -3.243 -0.331 5.557 1.00 0.00 H +ATOM 133 HD21 LEU A 7 -1.516 -2.875 5.597 1.00 0.00 H +ATOM 134 HD22 LEU A 7 -0.258 -2.212 4.531 1.00 0.00 H +ATOM 135 HD23 LEU A 7 -0.990 -1.188 5.767 1.00 0.00 H +ATOM 136 N LYS A 8 -2.636 -4.457 0.360 1.00 0.00 N +ATOM 137 CA LYS A 8 -3.000 -5.710 -0.323 1.00 0.00 C +ATOM 138 C LYS A 8 -1.774 -6.506 -0.772 1.00 0.00 C +ATOM 139 O LYS A 8 -1.764 -7.728 -0.650 1.00 0.00 O +ATOM 140 CB LYS A 8 -3.907 -5.437 -1.541 1.00 0.00 C +ATOM 141 CG LYS A 8 -4.842 -6.624 -1.830 1.00 0.00 C +ATOM 142 CD LYS A 8 -6.265 -6.337 -1.328 1.00 0.00 C +ATOM 143 CE LYS A 8 -7.114 -7.612 -1.287 1.00 0.00 C +ATOM 144 NZ LYS A 8 -6.875 -8.381 -0.042 1.00 0.00 N +ATOM 145 H LYS A 8 -3.089 -3.595 0.056 1.00 0.00 H +ATOM 146 HA LYS A 8 -3.534 -6.330 0.396 1.00 0.00 H +ATOM 147 HB2 LYS A 8 -4.501 -4.566 -1.344 1.00 0.00 H +ATOM 148 HB3 LYS A 8 -3.287 -5.248 -2.418 1.00 0.00 H +ATOM 149 HG2 LYS A 8 -4.871 -6.798 -2.888 1.00 0.00 H +ATOM 150 HG3 LYS A 8 -4.454 -7.529 -1.364 1.00 0.00 H +ATOM 151 HD2 LYS A 8 -6.209 -5.923 -0.340 1.00 0.00 H +ATOM 152 HD3 LYS A 8 -6.730 -5.625 -2.013 1.00 0.00 H +ATOM 153 HE2 LYS A 8 -8.151 -7.343 -1.337 1.00 0.00 H +ATOM 154 HE3 LYS A 8 -6.877 -8.220 -2.164 1.00 0.00 H +ATOM 155 HZ1 LYS A 8 -5.889 -8.591 0.053 1.00 0.00 H +ATOM 156 HZ2 LYS A 8 -7.168 -7.840 0.762 1.00 0.00 H +ATOM 157 HZ3 LYS A 8 -7.394 -9.248 -0.055 1.00 0.00 H +ATOM 158 N ASP A 9 -0.756 -5.802 -1.272 1.00 0.00 N +ATOM 159 CA ASP A 9 0.519 -6.369 -1.719 1.00 0.00 C +ATOM 160 C ASP A 9 1.466 -6.750 -0.552 1.00 0.00 C +ATOM 161 O ASP A 9 2.432 -7.481 -0.764 1.00 0.00 O +ATOM 162 CB ASP A 9 1.147 -5.356 -2.691 1.00 0.00 C +ATOM 163 CG ASP A 9 2.157 -5.999 -3.643 1.00 0.00 C +ATOM 164 OD1 ASP A 9 1.687 -6.708 -4.559 1.00 0.00 O +ATOM 165 OD2 ASP A 9 3.367 -5.733 -3.478 1.00 0.00 O +ATOM 166 H ASP A 9 -0.906 -4.806 -1.394 1.00 0.00 H +ATOM 167 HA ASP A 9 0.309 -7.281 -2.280 1.00 0.00 H +ATOM 168 HB2 ASP A 9 0.365 -4.908 -3.272 1.00 0.00 H +ATOM 169 HB3 ASP A 9 1.602 -4.539 -2.136 1.00 0.00 H +ATOM 170 N GLY A 10 1.166 -6.322 0.686 1.00 0.00 N +ATOM 171 CA GLY A 10 1.940 -6.628 1.899 1.00 0.00 C +ATOM 172 C GLY A 10 2.455 -5.411 2.687 1.00 0.00 C +ATOM 173 O GLY A 10 3.258 -5.576 3.605 1.00 0.00 O +ATOM 174 H GLY A 10 0.283 -5.838 0.808 1.00 0.00 H +ATOM 175 HA2 GLY A 10 1.308 -7.208 2.569 1.00 0.00 H +ATOM 176 HA3 GLY A 10 2.799 -7.243 1.641 1.00 0.00 H +ATOM 177 N GLY A 11 2.025 -4.190 2.349 1.00 0.00 N +ATOM 178 CA GLY A 11 2.501 -2.933 2.929 1.00 0.00 C +ATOM 179 C GLY A 11 4.035 -2.809 2.947 1.00 0.00 C +ATOM 180 O GLY A 11 4.636 -2.640 1.883 1.00 0.00 O +ATOM 181 H GLY A 11 1.426 -4.116 1.535 1.00 0.00 H +ATOM 182 HA2 GLY A 11 2.113 -2.118 2.323 1.00 0.00 H +ATOM 183 HA3 GLY A 11 2.088 -2.828 3.930 1.00 0.00 H +ATOM 184 N PRO A 12 4.714 -2.887 4.112 1.00 0.00 N +ATOM 185 CA PRO A 12 6.177 -2.830 4.177 1.00 0.00 C +ATOM 186 C PRO A 12 6.894 -3.885 3.322 1.00 0.00 C +ATOM 187 O PRO A 12 8.009 -3.632 2.870 1.00 0.00 O +ATOM 188 CB PRO A 12 6.543 -2.996 5.656 1.00 0.00 C +ATOM 189 CG PRO A 12 5.275 -2.581 6.397 1.00 0.00 C +ATOM 190 CD PRO A 12 4.158 -3.015 5.451 1.00 0.00 C +ATOM 191 HA PRO A 12 6.493 -1.842 3.843 1.00 0.00 H +ATOM 192 HB2 PRO A 12 6.796 -4.015 5.874 1.00 0.00 H +ATOM 193 HB3 PRO A 12 7.390 -2.365 5.930 1.00 0.00 H +ATOM 194 HG2 PRO A 12 5.198 -3.086 7.340 1.00 0.00 H +ATOM 195 HG3 PRO A 12 5.255 -1.495 6.510 1.00 0.00 H +ATOM 196 HD2 PRO A 12 3.876 -4.032 5.645 1.00 0.00 H +ATOM 197 HD3 PRO A 12 3.286 -2.377 5.597 1.00 0.00 H +ATOM 198 N SER A 13 6.272 -5.048 3.067 1.00 0.00 N +ATOM 199 CA SER A 13 6.859 -6.106 2.234 1.00 0.00 C +ATOM 200 C SER A 13 6.522 -5.983 0.737 1.00 0.00 C +ATOM 201 O SER A 13 6.868 -6.883 -0.022 1.00 0.00 O +ATOM 202 CB SER A 13 6.517 -7.490 2.809 1.00 0.00 C +ATOM 203 OG SER A 13 5.152 -7.809 2.665 1.00 0.00 O +ATOM 204 H SER A 13 5.336 -5.211 3.432 1.00 0.00 H +ATOM 205 HA SER A 13 7.945 -6.021 2.301 1.00 0.00 H +ATOM 206 HB2 SER A 13 7.100 -8.230 2.296 1.00 0.00 H +ATOM 207 HB3 SER A 13 6.776 -7.504 3.869 1.00 0.00 H +ATOM 208 HG SER A 13 4.960 -7.945 1.731 1.00 0.00 H +ATOM 209 N SER A 14 5.879 -4.888 0.300 1.00 0.00 N +ATOM 210 CA SER A 14 5.483 -4.641 -1.100 1.00 0.00 C +ATOM 211 C SER A 14 6.594 -4.035 -1.979 1.00 0.00 C +ATOM 212 O SER A 14 6.388 -3.818 -3.171 1.00 0.00 O +ATOM 213 CB SER A 14 4.291 -3.674 -1.143 1.00 0.00 C +ATOM 214 OG SER A 14 3.244 -4.095 -0.294 1.00 0.00 O +ATOM 215 H SER A 14 5.551 -4.209 0.982 1.00 0.00 H +ATOM 216 HA SER A 14 5.168 -5.582 -1.554 1.00 0.00 H +ATOM 217 HB2 SER A 14 4.621 -2.702 -0.832 1.00 0.00 H +ATOM 218 HB3 SER A 14 3.920 -3.612 -2.167 1.00 0.00 H +ATOM 219 HG SER A 14 2.497 -3.486 -0.373 1.00 0.00 H +ATOM 220 N GLY A 15 7.760 -3.685 -1.413 1.00 0.00 N +ATOM 221 CA GLY A 15 8.865 -3.074 -2.168 1.00 0.00 C +ATOM 222 C GLY A 15 8.636 -1.615 -2.597 1.00 0.00 C +ATOM 223 O GLY A 15 9.329 -1.131 -3.490 1.00 0.00 O +ATOM 224 H GLY A 15 7.882 -3.900 -0.435 1.00 0.00 H +ATOM 225 HA2 GLY A 15 9.772 -3.108 -1.566 1.00 0.00 H +ATOM 226 HA3 GLY A 15 9.044 -3.662 -3.070 1.00 0.00 H +ATOM 227 N ARG A 16 7.674 -0.910 -1.982 1.00 0.00 N +ATOM 228 CA ARG A 16 7.291 0.476 -2.303 1.00 0.00 C +ATOM 229 C ARG A 16 6.926 1.243 -1.019 1.00 0.00 C +ATOM 230 O ARG A 16 6.299 0.641 -0.143 1.00 0.00 O +ATOM 231 CB ARG A 16 6.095 0.409 -3.275 1.00 0.00 C +ATOM 232 CG ARG A 16 5.718 1.773 -3.872 1.00 0.00 C +ATOM 233 CD ARG A 16 4.496 1.668 -4.787 1.00 0.00 C +ATOM 234 NE ARG A 16 4.170 2.979 -5.381 1.00 0.00 N +ATOM 235 CZ ARG A 16 4.620 3.482 -6.525 1.00 0.00 C +ATOM 236 NH1 ARG A 16 5.433 2.811 -7.310 1.00 0.00 N +ATOM 237 NH2 ARG A 16 4.260 4.687 -6.902 1.00 0.00 N +ATOM 238 H ARG A 16 7.165 -1.374 -1.242 1.00 0.00 H +ATOM 239 HA ARG A 16 8.134 0.962 -2.796 1.00 0.00 H +ATOM 240 HB2 ARG A 16 6.346 -0.256 -4.078 1.00 0.00 H +ATOM 241 HB3 ARG A 16 5.232 -0.006 -2.753 1.00 0.00 H +ATOM 242 HG2 ARG A 16 5.497 2.454 -3.073 1.00 0.00 H +ATOM 243 HG3 ARG A 16 6.563 2.153 -4.447 1.00 0.00 H +ATOM 244 HD2 ARG A 16 4.704 0.968 -5.573 1.00 0.00 H +ATOM 245 HD3 ARG A 16 3.644 1.325 -4.197 1.00 0.00 H +ATOM 246 HE ARG A 16 3.562 3.570 -4.839 1.00 0.00 H +ATOM 247 HH11 ARG A 16 5.714 1.890 -7.023 1.00 0.00 H +ATOM 248 HH12 ARG A 16 5.768 3.197 -8.173 1.00 0.00 H +ATOM 249 HH21 ARG A 16 3.648 5.240 -6.327 1.00 0.00 H +ATOM 250 HH22 ARG A 16 4.602 5.065 -7.766 1.00 0.00 H +ATOM 251 N PRO A 17 7.244 2.550 -0.887 1.00 0.00 N +ATOM 252 CA PRO A 17 6.834 3.351 0.272 1.00 0.00 C +ATOM 253 C PRO A 17 5.302 3.529 0.364 1.00 0.00 C +ATOM 254 O PRO A 17 4.613 3.423 -0.657 1.00 0.00 O +ATOM 255 CB PRO A 17 7.546 4.701 0.109 1.00 0.00 C +ATOM 256 CG PRO A 17 7.773 4.807 -1.398 1.00 0.00 C +ATOM 257 CD PRO A 17 8.043 3.359 -1.797 1.00 0.00 C +ATOM 258 HA PRO A 17 7.191 2.864 1.180 1.00 0.00 H +ATOM 259 HB2 PRO A 17 6.929 5.505 0.461 1.00 0.00 H +ATOM 260 HB3 PRO A 17 8.509 4.667 0.619 1.00 0.00 H +ATOM 261 HG2 PRO A 17 6.902 5.190 -1.895 1.00 0.00 H +ATOM 262 HG3 PRO A 17 8.614 5.459 -1.638 1.00 0.00 H +ATOM 263 HD2 PRO A 17 7.743 3.188 -2.813 1.00 0.00 H +ATOM 264 HD3 PRO A 17 9.099 3.130 -1.650 1.00 0.00 H +ATOM 265 N PRO A 18 4.761 3.830 1.562 1.00 0.00 N +ATOM 266 CA PRO A 18 3.330 4.041 1.763 1.00 0.00 C +ATOM 267 C PRO A 18 2.857 5.363 1.124 1.00 0.00 C +ATOM 268 O PRO A 18 3.561 6.372 1.215 1.00 0.00 O +ATOM 269 CB PRO A 18 3.122 4.052 3.280 1.00 0.00 C +ATOM 270 CG PRO A 18 4.467 4.528 3.826 1.00 0.00 C +ATOM 271 CD PRO A 18 5.475 3.963 2.826 1.00 0.00 C +ATOM 272 HA PRO A 18 2.789 3.199 1.338 1.00 0.00 H +ATOM 273 HB2 PRO A 18 2.336 4.730 3.554 1.00 0.00 H +ATOM 274 HB3 PRO A 18 2.928 3.039 3.629 1.00 0.00 H +ATOM 275 HG2 PRO A 18 4.513 5.600 3.853 1.00 0.00 H +ATOM 276 HG3 PRO A 18 4.649 4.156 4.834 1.00 0.00 H +ATOM 277 HD2 PRO A 18 6.306 4.633 2.716 1.00 0.00 H +ATOM 278 HD3 PRO A 18 5.808 2.979 3.157 1.00 0.00 H +ATOM 279 N PRO A 19 1.664 5.391 0.501 1.00 0.00 N +ATOM 280 CA PRO A 19 1.089 6.605 -0.071 1.00 0.00 C +ATOM 281 C PRO A 19 0.480 7.494 1.027 1.00 0.00 C +ATOM 282 O PRO A 19 -0.248 6.998 1.889 1.00 0.00 O +ATOM 283 CB PRO A 19 0.030 6.099 -1.056 1.00 0.00 C +ATOM 284 CG PRO A 19 -0.452 4.787 -0.431 1.00 0.00 C +ATOM 285 CD PRO A 19 0.776 4.254 0.301 1.00 0.00 C +ATOM 286 HA PRO A 19 1.850 7.167 -0.612 1.00 0.00 H +ATOM 287 HB2 PRO A 19 -0.777 6.800 -1.143 1.00 0.00 H +ATOM 288 HB3 PRO A 19 0.507 5.887 -2.015 1.00 0.00 H +ATOM 289 HG2 PRO A 19 -1.258 4.965 0.255 1.00 0.00 H +ATOM 290 HG3 PRO A 19 -0.783 4.076 -1.188 1.00 0.00 H +ATOM 291 HD2 PRO A 19 0.491 3.835 1.247 1.00 0.00 H +ATOM 292 HD3 PRO A 19 1.276 3.508 -0.318 1.00 0.00 H +ATOM 293 N SER A 20 0.773 8.801 0.994 1.00 0.00 N +ATOM 294 CA SER A 20 0.156 9.787 1.896 1.00 0.00 C +ATOM 295 C SER A 20 -1.215 10.283 1.430 1.00 0.00 C +ATOM 296 O SER A 20 -1.579 10.082 0.257 1.00 0.00 O +ATOM 297 CB SER A 20 1.058 11.002 2.110 1.00 0.00 C +ATOM 298 OG SER A 20 0.393 11.759 3.099 1.00 0.00 O +ATOM 299 OXT SER A 20 -1.809 10.968 2.306 1.00 0.00 O +ATOM 300 H SER A 20 1.346 9.144 0.240 1.00 0.00 H +ATOM 301 HA SER A 20 -0.001 9.315 2.867 1.00 0.00 H +ATOM 302 HB2 SER A 20 2.029 10.699 2.452 1.00 0.00 H +ATOM 303 HB3 SER A 20 1.131 11.580 1.186 1.00 0.00 H +ATOM 304 HG SER A 20 -0.584 11.562 2.923 1.00 0.00 H +TER 305 SER A 20 +ENDMDL +MODEL 5 +ATOM 1 N ASN A 1 -8.175 6.595 -1.658 1.00 0.00 N +ATOM 2 CA ASN A 1 -7.203 6.342 -0.567 1.00 0.00 C +ATOM 3 C ASN A 1 -5.868 5.761 -1.012 1.00 0.00 C +ATOM 4 O ASN A 1 -4.867 6.207 -0.471 1.00 0.00 O +ATOM 5 CB ASN A 1 -7.789 5.475 0.551 1.00 0.00 C +ATOM 6 CG ASN A 1 -8.492 6.367 1.553 1.00 0.00 C +ATOM 7 OD1 ASN A 1 -9.561 6.874 1.264 1.00 0.00 O +ATOM 8 ND2 ASN A 1 -7.884 6.637 2.695 1.00 0.00 N +ATOM 9 H1 ASN A 1 -7.762 7.177 -2.374 1.00 0.00 H +ATOM 10 H2 ASN A 1 -8.486 5.725 -2.069 1.00 0.00 H +ATOM 11 H3 ASN A 1 -8.985 7.069 -1.275 1.00 0.00 H +ATOM 12 HA ASN A 1 -6.948 7.307 -0.124 1.00 0.00 H +ATOM 13 HB2 ASN A 1 -8.491 4.779 0.135 1.00 0.00 H +ATOM 14 HB3 ASN A 1 -6.995 4.925 1.061 1.00 0.00 H +ATOM 15 HD21 ASN A 1 -6.974 6.276 2.941 1.00 0.00 H +ATOM 16 HD22 ASN A 1 -8.390 7.244 3.321 1.00 0.00 H +ATOM 17 N LEU A 2 -5.828 4.741 -1.887 1.00 0.00 N +ATOM 18 CA LEU A 2 -4.612 4.045 -2.368 1.00 0.00 C +ATOM 19 C LEU A 2 -3.979 3.125 -1.303 1.00 0.00 C +ATOM 20 O LEU A 2 -3.517 2.035 -1.641 1.00 0.00 O +ATOM 21 CB LEU A 2 -3.580 5.040 -2.959 1.00 0.00 C +ATOM 22 CG LEU A 2 -4.147 5.962 -4.067 1.00 0.00 C +ATOM 23 CD1 LEU A 2 -3.532 7.367 -4.057 1.00 0.00 C +ATOM 24 CD2 LEU A 2 -3.954 5.329 -5.447 1.00 0.00 C +ATOM 25 H LEU A 2 -6.690 4.354 -2.239 1.00 0.00 H +ATOM 26 HA LEU A 2 -4.915 3.389 -3.185 1.00 0.00 H +ATOM 27 HB2 LEU A 2 -3.214 5.658 -2.162 1.00 0.00 H +ATOM 28 HB3 LEU A 2 -2.734 4.477 -3.358 1.00 0.00 H +ATOM 29 HG LEU A 2 -5.216 6.098 -3.915 1.00 0.00 H +ATOM 30 HD11 LEU A 2 -3.212 7.650 -3.053 1.00 0.00 H +ATOM 31 HD12 LEU A 2 -2.676 7.423 -4.729 1.00 0.00 H +ATOM 32 HD13 LEU A 2 -4.283 8.087 -4.385 1.00 0.00 H +ATOM 33 HD21 LEU A 2 -2.891 5.203 -5.654 1.00 0.00 H +ATOM 34 HD22 LEU A 2 -4.442 4.355 -5.483 1.00 0.00 H +ATOM 35 HD23 LEU A 2 -4.390 5.972 -6.210 1.00 0.00 H +ATOM 36 N TYR A 3 -4.034 3.507 -0.022 1.00 0.00 N +ATOM 37 CA TYR A 3 -3.488 2.754 1.113 1.00 0.00 C +ATOM 38 C TYR A 3 -3.999 1.304 1.197 1.00 0.00 C +ATOM 39 O TYR A 3 -3.219 0.398 1.481 1.00 0.00 O +ATOM 40 CB TYR A 3 -3.764 3.518 2.421 1.00 0.00 C +ATOM 41 CG TYR A 3 -2.555 3.588 3.333 1.00 0.00 C +ATOM 42 CD1 TYR A 3 -2.195 2.479 4.123 1.00 0.00 C +ATOM 43 CD2 TYR A 3 -1.776 4.762 3.370 1.00 0.00 C +ATOM 44 CE1 TYR A 3 -1.050 2.538 4.942 1.00 0.00 C +ATOM 45 CE2 TYR A 3 -0.643 4.831 4.199 1.00 0.00 C +ATOM 46 CZ TYR A 3 -0.268 3.716 4.975 1.00 0.00 C +ATOM 47 OH TYR A 3 0.867 3.769 5.724 1.00 0.00 O +ATOM 48 H TYR A 3 -4.320 4.468 0.138 1.00 0.00 H +ATOM 49 HA TYR A 3 -2.408 2.707 0.979 1.00 0.00 H +ATOM 50 HB2 TYR A 3 -4.066 4.518 2.176 1.00 0.00 H +ATOM 51 HB3 TYR A 3 -4.590 3.050 2.959 1.00 0.00 H +ATOM 52 HD1 TYR A 3 -2.793 1.578 4.096 1.00 0.00 H +ATOM 53 HD2 TYR A 3 -2.027 5.621 2.759 1.00 0.00 H +ATOM 54 HE1 TYR A 3 -0.776 1.690 5.552 1.00 0.00 H +ATOM 55 HE2 TYR A 3 -0.044 5.734 4.228 1.00 0.00 H +ATOM 56 HH TYR A 3 1.327 2.931 5.742 1.00 0.00 H +ATOM 57 N ILE A 4 -5.288 1.067 0.907 1.00 0.00 N +ATOM 58 CA ILE A 4 -5.894 -0.275 0.884 1.00 0.00 C +ATOM 59 C ILE A 4 -5.214 -1.162 -0.172 1.00 0.00 C +ATOM 60 O ILE A 4 -4.782 -2.273 0.130 1.00 0.00 O +ATOM 61 CB ILE A 4 -7.430 -0.201 0.663 1.00 0.00 C +ATOM 62 CG1 ILE A 4 -8.116 0.772 1.655 1.00 0.00 C +ATOM 63 CG2 ILE A 4 -8.062 -1.596 0.813 1.00 0.00 C +ATOM 64 CD1 ILE A 4 -8.454 2.122 1.015 1.00 0.00 C +ATOM 65 H ILE A 4 -5.869 1.867 0.710 1.00 0.00 H +ATOM 66 HA ILE A 4 -5.718 -0.740 1.855 1.00 0.00 H +ATOM 67 HB ILE A 4 -7.627 0.135 -0.357 1.00 0.00 H +ATOM 68 HG12 ILE A 4 -9.024 0.321 2.007 1.00 0.00 H +ATOM 69 HG13 ILE A 4 -7.470 0.935 2.519 1.00 0.00 H +ATOM 70 HG21 ILE A 4 -7.644 -2.289 0.083 1.00 0.00 H +ATOM 71 HG22 ILE A 4 -7.885 -1.983 1.817 1.00 0.00 H +ATOM 72 HG23 ILE A 4 -9.137 -1.535 0.640 1.00 0.00 H +ATOM 73 HD11 ILE A 4 -7.676 2.427 0.316 1.00 0.00 H +ATOM 74 HD12 ILE A 4 -9.403 2.047 0.483 1.00 0.00 H +ATOM 75 HD13 ILE A 4 -8.550 2.876 1.798 1.00 0.00 H +ATOM 76 N GLN A 5 -5.080 -0.655 -1.404 1.00 0.00 N +ATOM 77 CA GLN A 5 -4.405 -1.359 -2.496 1.00 0.00 C +ATOM 78 C GLN A 5 -2.908 -1.559 -2.203 1.00 0.00 C +ATOM 79 O GLN A 5 -2.368 -2.623 -2.496 1.00 0.00 O +ATOM 80 CB GLN A 5 -4.637 -0.594 -3.811 1.00 0.00 C +ATOM 81 CG GLN A 5 -4.176 -1.352 -5.070 1.00 0.00 C +ATOM 82 CD GLN A 5 -5.080 -2.517 -5.485 1.00 0.00 C +ATOM 83 OE1 GLN A 5 -5.806 -3.119 -4.707 1.00 0.00 O +ATOM 84 NE2 GLN A 5 -5.067 -2.886 -6.751 1.00 0.00 N +ATOM 85 H GLN A 5 -5.392 0.289 -1.566 1.00 0.00 H +ATOM 86 HA GLN A 5 -4.856 -2.348 -2.581 1.00 0.00 H +ATOM 87 HB2 GLN A 5 -5.687 -0.394 -3.904 1.00 0.00 H +ATOM 88 HB3 GLN A 5 -4.096 0.353 -3.763 1.00 0.00 H +ATOM 89 HG2 GLN A 5 -4.136 -0.654 -5.884 1.00 0.00 H +ATOM 90 HG3 GLN A 5 -3.160 -1.723 -4.932 1.00 0.00 H +ATOM 91 HE21 GLN A 5 -4.471 -2.439 -7.427 1.00 0.00 H +ATOM 92 HE22 GLN A 5 -5.746 -3.581 -7.000 1.00 0.00 H +ATOM 93 N TRP A 6 -2.243 -0.575 -1.581 1.00 0.00 N +ATOM 94 CA TRP A 6 -0.858 -0.716 -1.118 1.00 0.00 C +ATOM 95 C TRP A 6 -0.699 -1.828 -0.069 1.00 0.00 C +ATOM 96 O TRP A 6 0.195 -2.668 -0.194 1.00 0.00 O +ATOM 97 CB TRP A 6 -0.351 0.624 -0.585 1.00 0.00 C +ATOM 98 CG TRP A 6 1.048 0.578 -0.054 1.00 0.00 C +ATOM 99 CD1 TRP A 6 2.171 0.607 -0.807 1.00 0.00 C +ATOM 100 CD2 TRP A 6 1.497 0.476 1.333 1.00 0.00 C +ATOM 101 NE1 TRP A 6 3.277 0.517 0.018 1.00 0.00 N +ATOM 102 CE2 TRP A 6 2.921 0.430 1.339 1.00 0.00 C +ATOM 103 CE3 TRP A 6 0.854 0.427 2.590 1.00 0.00 C +ATOM 104 CZ2 TRP A 6 3.676 0.352 2.517 1.00 0.00 C +ATOM 105 CZ3 TRP A 6 1.600 0.338 3.783 1.00 0.00 C +ATOM 106 CH2 TRP A 6 3.006 0.310 3.748 1.00 0.00 C +ATOM 107 H TRP A 6 -2.729 0.304 -1.422 1.00 0.00 H +ATOM 108 HA TRP A 6 -0.238 -0.999 -1.969 1.00 0.00 H +ATOM 109 HB2 TRP A 6 -0.385 1.340 -1.384 1.00 0.00 H +ATOM 110 HB3 TRP A 6 -1.007 0.967 0.214 1.00 0.00 H +ATOM 111 HD1 TRP A 6 2.193 0.693 -1.885 1.00 0.00 H +ATOM 112 HE1 TRP A 6 4.245 0.568 -0.288 1.00 0.00 H +ATOM 113 HE3 TRP A 6 -0.224 0.468 2.624 1.00 0.00 H +ATOM 114 HZ2 TRP A 6 4.754 0.329 2.457 1.00 0.00 H +ATOM 115 HZ3 TRP A 6 1.091 0.294 4.733 1.00 0.00 H +ATOM 116 HH2 TRP A 6 3.573 0.259 4.666 1.00 0.00 H +ATOM 117 N LEU A 7 -1.582 -1.882 0.939 1.00 0.00 N +ATOM 118 CA LEU A 7 -1.603 -2.983 1.905 1.00 0.00 C +ATOM 119 C LEU A 7 -1.840 -4.339 1.225 1.00 0.00 C +ATOM 120 O LEU A 7 -1.195 -5.312 1.611 1.00 0.00 O +ATOM 121 CB LEU A 7 -2.648 -2.725 3.008 1.00 0.00 C +ATOM 122 CG LEU A 7 -2.246 -1.632 4.018 1.00 0.00 C +ATOM 123 CD1 LEU A 7 -3.417 -1.351 4.965 1.00 0.00 C +ATOM 124 CD2 LEU A 7 -1.033 -2.033 4.868 1.00 0.00 C +ATOM 125 H LEU A 7 -2.278 -1.141 1.019 1.00 0.00 H +ATOM 126 HA LEU A 7 -0.618 -3.051 2.362 1.00 0.00 H +ATOM 127 HB2 LEU A 7 -3.566 -2.428 2.539 1.00 0.00 H +ATOM 128 HB3 LEU A 7 -2.811 -3.653 3.557 1.00 0.00 H +ATOM 129 HG LEU A 7 -2.009 -0.713 3.490 1.00 0.00 H +ATOM 130 HD11 LEU A 7 -4.299 -1.072 4.387 1.00 0.00 H +ATOM 131 HD12 LEU A 7 -3.642 -2.240 5.555 1.00 0.00 H +ATOM 132 HD13 LEU A 7 -3.161 -0.532 5.635 1.00 0.00 H +ATOM 133 HD21 LEU A 7 -1.219 -2.989 5.358 1.00 0.00 H +ATOM 134 HD22 LEU A 7 -0.146 -2.116 4.244 1.00 0.00 H +ATOM 135 HD23 LEU A 7 -0.847 -1.273 5.626 1.00 0.00 H +ATOM 136 N LYS A 8 -2.685 -4.402 0.182 1.00 0.00 N +ATOM 137 CA LYS A 8 -2.936 -5.625 -0.601 1.00 0.00 C +ATOM 138 C LYS A 8 -1.667 -6.232 -1.217 1.00 0.00 C +ATOM 139 O LYS A 8 -1.582 -7.450 -1.336 1.00 0.00 O +ATOM 140 CB LYS A 8 -3.985 -5.346 -1.693 1.00 0.00 C +ATOM 141 CG LYS A 8 -4.692 -6.641 -2.114 1.00 0.00 C +ATOM 142 CD LYS A 8 -5.718 -6.428 -3.232 1.00 0.00 C +ATOM 143 CE LYS A 8 -5.032 -6.294 -4.599 1.00 0.00 C +ATOM 144 NZ LYS A 8 -5.771 -7.040 -5.645 1.00 0.00 N +ATOM 145 H LYS A 8 -3.211 -3.559 -0.040 1.00 0.00 H +ATOM 146 HA LYS A 8 -3.336 -6.373 0.084 1.00 0.00 H +ATOM 147 HB2 LYS A 8 -4.713 -4.655 -1.313 1.00 0.00 H +ATOM 148 HB3 LYS A 8 -3.500 -4.897 -2.560 1.00 0.00 H +ATOM 149 HG2 LYS A 8 -3.952 -7.338 -2.457 1.00 0.00 H +ATOM 150 HG3 LYS A 8 -5.210 -7.046 -1.244 1.00 0.00 H +ATOM 151 HD2 LYS A 8 -6.387 -7.266 -3.257 1.00 0.00 H +ATOM 152 HD3 LYS A 8 -6.315 -5.536 -3.029 1.00 0.00 H +ATOM 153 HE2 LYS A 8 -4.993 -5.257 -4.871 1.00 0.00 H +ATOM 154 HE3 LYS A 8 -4.012 -6.679 -4.526 1.00 0.00 H +ATOM 155 HZ1 LYS A 8 -5.793 -8.024 -5.407 1.00 0.00 H +ATOM 156 HZ2 LYS A 8 -6.721 -6.700 -5.709 1.00 0.00 H +ATOM 157 HZ3 LYS A 8 -5.316 -6.938 -6.542 1.00 0.00 H +ATOM 158 N ASP A 9 -0.684 -5.400 -1.577 1.00 0.00 N +ATOM 159 CA ASP A 9 0.625 -5.836 -2.086 1.00 0.00 C +ATOM 160 C ASP A 9 1.499 -6.498 -0.998 1.00 0.00 C +ATOM 161 O ASP A 9 2.414 -7.249 -1.327 1.00 0.00 O +ATOM 162 CB ASP A 9 1.344 -4.617 -2.703 1.00 0.00 C +ATOM 163 CG ASP A 9 2.032 -4.934 -4.036 1.00 0.00 C +ATOM 164 OD1 ASP A 9 1.293 -5.094 -5.034 1.00 0.00 O +ATOM 165 OD2 ASP A 9 3.282 -4.935 -4.072 1.00 0.00 O +ATOM 166 H ASP A 9 -0.848 -4.407 -1.477 1.00 0.00 H +ATOM 167 HA ASP A 9 0.459 -6.576 -2.871 1.00 0.00 H +ATOM 168 HB2 ASP A 9 0.621 -3.842 -2.868 1.00 0.00 H +ATOM 169 HB3 ASP A 9 2.073 -4.222 -1.993 1.00 0.00 H +ATOM 170 N GLY A 10 1.197 -6.249 0.290 1.00 0.00 N +ATOM 171 CA GLY A 10 1.964 -6.697 1.458 1.00 0.00 C +ATOM 172 C GLY A 10 2.454 -5.562 2.375 1.00 0.00 C +ATOM 173 O GLY A 10 3.219 -5.821 3.307 1.00 0.00 O +ATOM 174 H GLY A 10 0.340 -5.733 0.471 1.00 0.00 H +ATOM 175 HA2 GLY A 10 1.338 -7.359 2.052 1.00 0.00 H +ATOM 176 HA3 GLY A 10 2.839 -7.260 1.131 1.00 0.00 H +ATOM 177 N GLY A 11 2.062 -4.303 2.120 1.00 0.00 N +ATOM 178 CA GLY A 11 2.530 -3.141 2.879 1.00 0.00 C +ATOM 179 C GLY A 11 4.060 -2.973 2.802 1.00 0.00 C +ATOM 180 O GLY A 11 4.611 -3.075 1.699 1.00 0.00 O +ATOM 181 H GLY A 11 1.492 -4.143 1.300 1.00 0.00 H +ATOM 182 HA2 GLY A 11 2.070 -2.244 2.466 1.00 0.00 H +ATOM 183 HA3 GLY A 11 2.200 -3.255 3.909 1.00 0.00 H +ATOM 184 N PRO A 12 4.771 -2.727 3.926 1.00 0.00 N +ATOM 185 CA PRO A 12 6.226 -2.519 3.940 1.00 0.00 C +ATOM 186 C PRO A 12 7.037 -3.646 3.278 1.00 0.00 C +ATOM 187 O PRO A 12 8.097 -3.395 2.709 1.00 0.00 O +ATOM 188 CB PRO A 12 6.621 -2.378 5.418 1.00 0.00 C +ATOM 189 CG PRO A 12 5.327 -1.974 6.119 1.00 0.00 C +ATOM 190 CD PRO A 12 4.247 -2.658 5.284 1.00 0.00 C +ATOM 191 HA PRO A 12 6.447 -1.585 3.423 1.00 0.00 H +ATOM 192 HB2 PRO A 12 6.987 -3.310 5.804 1.00 0.00 H +ATOM 193 HB3 PRO A 12 7.399 -1.626 5.554 1.00 0.00 H +ATOM 194 HG2 PRO A 12 5.312 -2.328 7.132 1.00 0.00 H +ATOM 195 HG3 PRO A 12 5.205 -0.892 6.065 1.00 0.00 H +ATOM 196 HD2 PRO A 12 4.054 -3.644 5.660 1.00 0.00 H +ATOM 197 HD3 PRO A 12 3.323 -2.082 5.337 1.00 0.00 H +ATOM 198 N SER A 13 6.521 -4.880 3.304 1.00 0.00 N +ATOM 199 CA SER A 13 7.176 -6.096 2.804 1.00 0.00 C +ATOM 200 C SER A 13 7.053 -6.286 1.281 1.00 0.00 C +ATOM 201 O SER A 13 7.203 -7.401 0.787 1.00 0.00 O +ATOM 202 CB SER A 13 6.621 -7.302 3.574 1.00 0.00 C +ATOM 203 OG SER A 13 6.881 -7.134 4.956 1.00 0.00 O +ATOM 204 H SER A 13 5.621 -5.007 3.748 1.00 0.00 H +ATOM 205 HA SER A 13 8.242 -6.031 3.029 1.00 0.00 H +ATOM 206 HB2 SER A 13 5.562 -7.373 3.414 1.00 0.00 H +ATOM 207 HB3 SER A 13 7.106 -8.216 3.229 1.00 0.00 H +ATOM 208 HG SER A 13 6.464 -7.849 5.442 1.00 0.00 H +ATOM 209 N SER A 14 6.792 -5.202 0.538 1.00 0.00 N +ATOM 210 CA SER A 14 6.428 -5.207 -0.894 1.00 0.00 C +ATOM 211 C SER A 14 7.386 -4.379 -1.769 1.00 0.00 C +ATOM 212 O SER A 14 7.101 -4.123 -2.941 1.00 0.00 O +ATOM 213 CB SER A 14 4.978 -4.731 -1.093 1.00 0.00 C +ATOM 214 OG SER A 14 4.172 -4.953 0.037 1.00 0.00 O +ATOM 215 H SER A 14 6.675 -4.342 1.057 1.00 0.00 H +ATOM 216 HA SER A 14 6.470 -6.235 -1.257 1.00 0.00 H +ATOM 217 HB2 SER A 14 4.988 -3.679 -1.305 1.00 0.00 H +ATOM 218 HB3 SER A 14 4.551 -5.239 -1.956 1.00 0.00 H +ATOM 219 HG SER A 14 4.342 -4.220 0.679 1.00 0.00 H +ATOM 220 N GLY A 15 8.502 -3.913 -1.182 1.00 0.00 N +ATOM 221 CA GLY A 15 9.546 -3.129 -1.849 1.00 0.00 C +ATOM 222 C GLY A 15 9.114 -1.724 -2.287 1.00 0.00 C +ATOM 223 O GLY A 15 9.680 -1.186 -3.235 1.00 0.00 O +ATOM 224 H GLY A 15 8.649 -4.194 -0.222 1.00 0.00 H +ATOM 225 HA2 GLY A 15 10.391 -3.019 -1.170 1.00 0.00 H +ATOM 226 HA3 GLY A 15 9.893 -3.670 -2.730 1.00 0.00 H +ATOM 227 N ARG A 16 8.100 -1.139 -1.630 1.00 0.00 N +ATOM 228 CA ARG A 16 7.450 0.119 -2.030 1.00 0.00 C +ATOM 229 C ARG A 16 6.928 0.911 -0.816 1.00 0.00 C +ATOM 230 O ARG A 16 6.269 0.321 0.044 1.00 0.00 O +ATOM 231 CB ARG A 16 6.317 -0.179 -3.034 1.00 0.00 C +ATOM 232 CG ARG A 16 5.288 -1.191 -2.504 1.00 0.00 C +ATOM 233 CD ARG A 16 4.285 -1.659 -3.553 1.00 0.00 C +ATOM 234 NE ARG A 16 4.933 -2.527 -4.549 1.00 0.00 N +ATOM 235 CZ ARG A 16 4.527 -2.735 -5.794 1.00 0.00 C +ATOM 236 NH1 ARG A 16 3.493 -2.100 -6.302 1.00 0.00 N +ATOM 237 NH2 ARG A 16 5.167 -3.578 -6.566 1.00 0.00 N +ATOM 238 H ARG A 16 7.708 -1.640 -0.844 1.00 0.00 H +ATOM 239 HA ARG A 16 8.196 0.717 -2.550 1.00 0.00 H +ATOM 240 HB2 ARG A 16 5.809 0.739 -3.257 1.00 0.00 H +ATOM 241 HB3 ARG A 16 6.768 -0.575 -3.945 1.00 0.00 H +ATOM 242 HG2 ARG A 16 5.817 -2.049 -2.135 1.00 0.00 H +ATOM 243 HG3 ARG A 16 4.734 -0.757 -1.678 1.00 0.00 H +ATOM 244 HD2 ARG A 16 3.499 -2.206 -3.068 1.00 0.00 H +ATOM 245 HD3 ARG A 16 3.837 -0.783 -4.024 1.00 0.00 H +ATOM 246 HE ARG A 16 5.648 -3.155 -4.195 1.00 0.00 H +ATOM 247 HH11 ARG A 16 2.947 -1.544 -5.671 1.00 0.00 H +ATOM 248 HH12 ARG A 16 3.153 -2.320 -7.218 1.00 0.00 H +ATOM 249 HH21 ARG A 16 5.883 -4.149 -6.152 1.00 0.00 H +ATOM 250 HH22 ARG A 16 4.831 -3.768 -7.490 1.00 0.00 H +ATOM 251 N PRO A 17 7.167 2.235 -0.738 1.00 0.00 N +ATOM 252 CA PRO A 17 6.698 3.071 0.368 1.00 0.00 C +ATOM 253 C PRO A 17 5.171 3.287 0.323 1.00 0.00 C +ATOM 254 O PRO A 17 4.562 3.090 -0.732 1.00 0.00 O +ATOM 255 CB PRO A 17 7.457 4.393 0.202 1.00 0.00 C +ATOM 256 CG PRO A 17 7.658 4.498 -1.308 1.00 0.00 C +ATOM 257 CD PRO A 17 7.864 3.045 -1.729 1.00 0.00 C +ATOM 258 HA PRO A 17 6.972 2.607 1.317 1.00 0.00 H +ATOM 259 HB2 PRO A 17 6.878 5.217 0.571 1.00 0.00 H +ATOM 260 HB3 PRO A 17 8.428 4.317 0.695 1.00 0.00 H +ATOM 261 HG2 PRO A 17 6.793 4.919 -1.784 1.00 0.00 H +ATOM 262 HG3 PRO A 17 8.520 5.115 -1.561 1.00 0.00 H +ATOM 263 HD2 PRO A 17 7.450 2.878 -2.705 1.00 0.00 H +ATOM 264 HD3 PRO A 17 8.927 2.802 -1.714 1.00 0.00 H +ATOM 265 N PRO A 18 4.543 3.703 1.441 1.00 0.00 N +ATOM 266 CA PRO A 18 3.105 3.956 1.499 1.00 0.00 C +ATOM 267 C PRO A 18 2.686 5.190 0.673 1.00 0.00 C +ATOM 268 O PRO A 18 3.440 6.163 0.597 1.00 0.00 O +ATOM 269 CB PRO A 18 2.777 4.132 2.983 1.00 0.00 C +ATOM 270 CG PRO A 18 4.091 4.608 3.598 1.00 0.00 C +ATOM 271 CD PRO A 18 5.149 3.902 2.752 1.00 0.00 C +ATOM 272 HA PRO A 18 2.585 3.075 1.131 1.00 0.00 H +ATOM 273 HB2 PRO A 18 2.005 4.865 3.119 1.00 0.00 H +ATOM 274 HB3 PRO A 18 2.506 3.167 3.411 1.00 0.00 H +ATOM 275 HG2 PRO A 18 4.187 5.674 3.523 1.00 0.00 H +ATOM 276 HG3 PRO A 18 4.169 4.334 4.651 1.00 0.00 H +ATOM 277 HD2 PRO A 18 6.028 4.511 2.668 1.00 0.00 H +ATOM 278 HD3 PRO A 18 5.384 2.932 3.191 1.00 0.00 H +ATOM 279 N PRO A 19 1.485 5.179 0.063 1.00 0.00 N +ATOM 280 CA PRO A 19 0.959 6.296 -0.711 1.00 0.00 C +ATOM 281 C PRO A 19 0.308 7.346 0.205 1.00 0.00 C +ATOM 282 O PRO A 19 -0.866 7.217 0.563 1.00 0.00 O +ATOM 283 CB PRO A 19 -0.038 5.662 -1.685 1.00 0.00 C +ATOM 284 CG PRO A 19 -0.611 4.494 -0.880 1.00 0.00 C +ATOM 285 CD PRO A 19 0.571 4.046 -0.020 1.00 0.00 C +ATOM 286 HA PRO A 19 1.758 6.771 -1.284 1.00 0.00 H +ATOM 287 HB2 PRO A 19 -0.808 6.358 -1.956 1.00 0.00 H +ATOM 288 HB3 PRO A 19 0.500 5.276 -2.551 1.00 0.00 H +ATOM 289 HG2 PRO A 19 -1.432 4.815 -0.268 1.00 0.00 H +ATOM 290 HG3 PRO A 19 -0.960 3.695 -1.533 1.00 0.00 H +ATOM 291 HD2 PRO A 19 0.232 3.772 0.961 1.00 0.00 H +ATOM 292 HD3 PRO A 19 1.080 3.221 -0.514 1.00 0.00 H +ATOM 293 N SER A 20 1.081 8.389 0.531 1.00 0.00 N +ATOM 294 CA SER A 20 0.712 9.526 1.401 1.00 0.00 C +ATOM 295 C SER A 20 0.588 9.160 2.890 1.00 0.00 C +ATOM 296 O SER A 20 0.262 10.095 3.652 1.00 0.00 O +ATOM 297 CB SER A 20 -0.566 10.221 0.907 1.00 0.00 C +ATOM 298 OG SER A 20 -0.448 10.583 -0.457 1.00 0.00 O +ATOM 299 OXT SER A 20 0.841 7.989 3.253 1.00 0.00 O +ATOM 300 H SER A 20 2.044 8.336 0.235 1.00 0.00 H +ATOM 301 HA SER A 20 1.510 10.263 1.347 1.00 0.00 H +ATOM 302 HB2 SER A 20 -1.397 9.552 1.023 1.00 0.00 H +ATOM 303 HB3 SER A 20 -0.739 11.118 1.507 1.00 0.00 H +ATOM 304 HG SER A 20 -1.325 10.595 -0.845 1.00 0.00 H +TER 305 SER A 20 +ENDMDL +MODEL 6 +ATOM 1 N ASN A 1 -8.386 5.528 0.323 1.00 0.00 N +ATOM 2 CA ASN A 1 -7.252 6.475 0.201 1.00 0.00 C +ATOM 3 C ASN A 1 -5.976 5.793 -0.320 1.00 0.00 C +ATOM 4 O ASN A 1 -4.928 5.981 0.279 1.00 0.00 O +ATOM 5 CB ASN A 1 -6.989 7.168 1.563 1.00 0.00 C +ATOM 6 CG ASN A 1 -8.182 7.971 2.069 1.00 0.00 C +ATOM 7 OD1 ASN A 1 -9.321 7.671 1.737 1.00 0.00 O +ATOM 8 ND2 ASN A 1 -7.956 8.989 2.877 1.00 0.00 N +ATOM 9 H1 ASN A 1 -8.680 5.191 -0.583 1.00 0.00 H +ATOM 10 H2 ASN A 1 -8.133 4.750 0.917 1.00 0.00 H +ATOM 11 H3 ASN A 1 -9.162 6.024 0.757 1.00 0.00 H +ATOM 12 HA ASN A 1 -7.519 7.256 -0.513 1.00 0.00 H +ATOM 13 HB2 ASN A 1 -6.753 6.414 2.289 1.00 0.00 H +ATOM 14 HB3 ASN A 1 -6.141 7.847 1.464 1.00 0.00 H +ATOM 15 HD21 ASN A 1 -7.025 9.245 3.168 1.00 0.00 H +ATOM 16 HD22 ASN A 1 -8.768 9.497 3.186 1.00 0.00 H +ATOM 17 N LEU A 2 -6.033 4.992 -1.399 1.00 0.00 N +ATOM 18 CA LEU A 2 -4.893 4.279 -2.026 1.00 0.00 C +ATOM 19 C LEU A 2 -4.189 3.209 -1.150 1.00 0.00 C +ATOM 20 O LEU A 2 -3.787 2.161 -1.653 1.00 0.00 O +ATOM 21 CB LEU A 2 -3.898 5.323 -2.592 1.00 0.00 C +ATOM 22 CG LEU A 2 -3.403 5.048 -4.026 1.00 0.00 C +ATOM 23 CD1 LEU A 2 -4.520 5.284 -5.049 1.00 0.00 C +ATOM 24 CD2 LEU A 2 -2.245 5.991 -4.373 1.00 0.00 C +ATOM 25 H LEU A 2 -6.896 4.918 -1.915 1.00 0.00 H +ATOM 26 HA LEU A 2 -5.303 3.724 -2.868 1.00 0.00 H +ATOM 27 HB2 LEU A 2 -4.382 6.281 -2.586 1.00 0.00 H +ATOM 28 HB3 LEU A 2 -3.041 5.381 -1.923 1.00 0.00 H +ATOM 29 HG LEU A 2 -3.055 4.018 -4.106 1.00 0.00 H +ATOM 30 HD11 LEU A 2 -5.356 4.614 -4.868 1.00 0.00 H +ATOM 31 HD12 LEU A 2 -4.864 6.318 -4.993 1.00 0.00 H +ATOM 32 HD13 LEU A 2 -4.141 5.093 -6.053 1.00 0.00 H +ATOM 33 HD21 LEU A 2 -2.447 7.000 -4.006 1.00 0.00 H +ATOM 34 HD22 LEU A 2 -1.330 5.621 -3.919 1.00 0.00 H +ATOM 35 HD23 LEU A 2 -2.089 6.031 -5.450 1.00 0.00 H +ATOM 36 N TYR A 3 -4.112 3.429 0.165 1.00 0.00 N +ATOM 37 CA TYR A 3 -3.496 2.595 1.193 1.00 0.00 C +ATOM 38 C TYR A 3 -4.014 1.148 1.203 1.00 0.00 C +ATOM 39 O TYR A 3 -3.249 0.231 1.485 1.00 0.00 O +ATOM 40 CB TYR A 3 -3.710 3.279 2.555 1.00 0.00 C +ATOM 41 CG TYR A 3 -2.553 3.084 3.510 1.00 0.00 C +ATOM 42 CD1 TYR A 3 -2.456 1.903 4.268 1.00 0.00 C +ATOM 43 CD2 TYR A 3 -1.561 4.078 3.620 1.00 0.00 C +ATOM 44 CE1 TYR A 3 -1.355 1.701 5.120 1.00 0.00 C +ATOM 45 CE2 TYR A 3 -0.454 3.878 4.467 1.00 0.00 C +ATOM 46 CZ TYR A 3 -0.345 2.682 5.210 1.00 0.00 C +ATOM 47 OH TYR A 3 0.737 2.459 6.003 1.00 0.00 O +ATOM 48 H TYR A 3 -4.356 4.372 0.451 1.00 0.00 H +ATOM 49 HA TYR A 3 -2.424 2.563 0.995 1.00 0.00 H +ATOM 50 HB2 TYR A 3 -3.843 4.331 2.391 1.00 0.00 H +ATOM 51 HB3 TYR A 3 -4.629 2.908 3.015 1.00 0.00 H +ATOM 52 HD1 TYR A 3 -3.225 1.149 4.184 1.00 0.00 H +ATOM 53 HD2 TYR A 3 -1.654 5.000 3.056 1.00 0.00 H +ATOM 54 HE1 TYR A 3 -1.263 0.796 5.701 1.00 0.00 H +ATOM 55 HE2 TYR A 3 0.299 4.646 4.556 1.00 0.00 H +ATOM 56 HH TYR A 3 1.435 3.096 5.844 1.00 0.00 H +ATOM 57 N ILE A 4 -5.288 0.927 0.844 1.00 0.00 N +ATOM 58 CA ILE A 4 -5.882 -0.413 0.700 1.00 0.00 C +ATOM 59 C ILE A 4 -5.155 -1.216 -0.392 1.00 0.00 C +ATOM 60 O ILE A 4 -4.783 -2.368 -0.166 1.00 0.00 O +ATOM 61 CB ILE A 4 -7.403 -0.333 0.415 1.00 0.00 C +ATOM 62 CG1 ILE A 4 -8.165 0.597 1.397 1.00 0.00 C +ATOM 63 CG2 ILE A 4 -8.025 -1.739 0.474 1.00 0.00 C +ATOM 64 CD1 ILE A 4 -8.569 1.925 0.742 1.00 0.00 C +ATOM 65 H ILE A 4 -5.849 1.736 0.639 1.00 0.00 H +ATOM 66 HA ILE A 4 -5.742 -0.945 1.643 1.00 0.00 H +ATOM 67 HB ILE A 4 -7.545 0.041 -0.602 1.00 0.00 H +ATOM 68 HG12 ILE A 4 -9.051 0.094 1.733 1.00 0.00 H +ATOM 69 HG13 ILE A 4 -7.558 0.797 2.280 1.00 0.00 H +ATOM 70 HG21 ILE A 4 -7.561 -2.398 -0.261 1.00 0.00 H +ATOM 71 HG22 ILE A 4 -7.892 -2.168 1.469 1.00 0.00 H +ATOM 72 HG23 ILE A 4 -9.091 -1.683 0.250 1.00 0.00 H +ATOM 73 HD11 ILE A 4 -7.690 2.447 0.367 1.00 0.00 H +ATOM 74 HD12 ILE A 4 -9.256 1.730 -0.083 1.00 0.00 H +ATOM 75 HD13 ILE A 4 -9.076 2.550 1.478 1.00 0.00 H +ATOM 76 N GLN A 5 -4.919 -0.602 -1.563 1.00 0.00 N +ATOM 77 CA GLN A 5 -4.148 -1.213 -2.650 1.00 0.00 C +ATOM 78 C GLN A 5 -2.698 -1.477 -2.220 1.00 0.00 C +ATOM 79 O GLN A 5 -2.176 -2.563 -2.456 1.00 0.00 O +ATOM 80 CB GLN A 5 -4.189 -0.338 -3.923 1.00 0.00 C +ATOM 81 CG GLN A 5 -5.048 -0.952 -5.043 1.00 0.00 C +ATOM 82 CD GLN A 5 -4.557 -0.530 -6.426 1.00 0.00 C +ATOM 83 OE1 GLN A 5 -3.843 -1.254 -7.098 1.00 0.00 O +ATOM 84 NE2 GLN A 5 -4.900 0.648 -6.907 1.00 0.00 N +ATOM 85 H GLN A 5 -5.147 0.379 -1.642 1.00 0.00 H +ATOM 86 HA GLN A 5 -4.590 -2.184 -2.870 1.00 0.00 H +ATOM 87 HB2 GLN A 5 -4.595 0.621 -3.666 1.00 0.00 H +ATOM 88 HB3 GLN A 5 -3.171 -0.226 -4.301 1.00 0.00 H +ATOM 89 HG2 GLN A 5 -5.003 -2.022 -4.969 1.00 0.00 H +ATOM 90 HG3 GLN A 5 -6.090 -0.657 -4.912 1.00 0.00 H +ATOM 91 HE21 GLN A 5 -5.491 1.299 -6.420 1.00 0.00 H +ATOM 92 HE22 GLN A 5 -4.516 0.824 -7.820 1.00 0.00 H +ATOM 93 N TRP A 6 -2.058 -0.514 -1.548 1.00 0.00 N +ATOM 94 CA TRP A 6 -0.698 -0.699 -1.033 1.00 0.00 C +ATOM 95 C TRP A 6 -0.598 -1.819 0.024 1.00 0.00 C +ATOM 96 O TRP A 6 0.351 -2.603 0.007 1.00 0.00 O +ATOM 97 CB TRP A 6 -0.182 0.633 -0.487 1.00 0.00 C +ATOM 98 CG TRP A 6 1.208 0.559 0.054 1.00 0.00 C +ATOM 99 CD1 TRP A 6 2.340 0.584 -0.684 1.00 0.00 C +ATOM 100 CD2 TRP A 6 1.636 0.399 1.441 1.00 0.00 C +ATOM 101 NE1 TRP A 6 3.434 0.426 0.145 1.00 0.00 N +ATOM 102 CE2 TRP A 6 3.060 0.338 1.464 1.00 0.00 C +ATOM 103 CE3 TRP A 6 0.968 0.306 2.680 1.00 0.00 C +ATOM 104 CZ2 TRP A 6 3.793 0.231 2.652 1.00 0.00 C +ATOM 105 CZ3 TRP A 6 1.692 0.176 3.881 1.00 0.00 C +ATOM 106 CH2 TRP A 6 3.098 0.160 3.871 1.00 0.00 C +ATOM 107 H TRP A 6 -2.537 0.370 -1.411 1.00 0.00 H +ATOM 108 HA TRP A 6 -0.056 -0.999 -1.865 1.00 0.00 H +ATOM 109 HB2 TRP A 6 -0.199 1.355 -1.281 1.00 0.00 H +ATOM 110 HB3 TRP A 6 -0.845 0.977 0.306 1.00 0.00 H +ATOM 111 HD1 TRP A 6 2.372 0.691 -1.760 1.00 0.00 H +ATOM 112 HE1 TRP A 6 4.406 0.397 -0.171 1.00 0.00 H +ATOM 113 HE3 TRP A 6 -0.111 0.343 2.699 1.00 0.00 H +ATOM 114 HZ2 TRP A 6 4.871 0.201 2.617 1.00 0.00 H +ATOM 115 HZ3 TRP A 6 1.165 0.101 4.820 1.00 0.00 H +ATOM 116 HH2 TRP A 6 3.644 0.086 4.800 1.00 0.00 H +ATOM 117 N LEU A 7 -1.583 -1.947 0.921 1.00 0.00 N +ATOM 118 CA LEU A 7 -1.656 -3.076 1.851 1.00 0.00 C +ATOM 119 C LEU A 7 -1.870 -4.413 1.124 1.00 0.00 C +ATOM 120 O LEU A 7 -1.239 -5.396 1.507 1.00 0.00 O +ATOM 121 CB LEU A 7 -2.744 -2.838 2.914 1.00 0.00 C +ATOM 122 CG LEU A 7 -2.336 -1.840 4.014 1.00 0.00 C +ATOM 123 CD1 LEU A 7 -3.558 -1.525 4.882 1.00 0.00 C +ATOM 124 CD2 LEU A 7 -1.236 -2.386 4.934 1.00 0.00 C +ATOM 125 H LEU A 7 -2.308 -1.232 0.953 1.00 0.00 H +ATOM 126 HA LEU A 7 -0.691 -3.164 2.348 1.00 0.00 H +ATOM 127 HB2 LEU A 7 -3.619 -2.459 2.422 1.00 0.00 H +ATOM 128 HB3 LEU A 7 -2.984 -3.790 3.391 1.00 0.00 H +ATOM 129 HG LEU A 7 -1.981 -0.918 3.559 1.00 0.00 H +ATOM 130 HD11 LEU A 7 -4.336 -1.072 4.269 1.00 0.00 H +ATOM 131 HD12 LEU A 7 -3.942 -2.440 5.333 1.00 0.00 H +ATOM 132 HD13 LEU A 7 -3.281 -0.829 5.675 1.00 0.00 H +ATOM 133 HD21 LEU A 7 -1.580 -3.296 5.429 1.00 0.00 H +ATOM 134 HD22 LEU A 7 -0.333 -2.606 4.369 1.00 0.00 H +ATOM 135 HD23 LEU A 7 -0.987 -1.645 5.691 1.00 0.00 H +ATOM 136 N LYS A 8 -2.686 -4.452 0.056 1.00 0.00 N +ATOM 137 CA LYS A 8 -2.868 -5.634 -0.809 1.00 0.00 C +ATOM 138 C LYS A 8 -1.553 -6.182 -1.385 1.00 0.00 C +ATOM 139 O LYS A 8 -1.446 -7.398 -1.524 1.00 0.00 O +ATOM 140 CB LYS A 8 -3.855 -5.315 -1.947 1.00 0.00 C +ATOM 141 CG LYS A 8 -5.312 -5.718 -1.691 1.00 0.00 C +ATOM 142 CD LYS A 8 -5.595 -7.194 -2.011 1.00 0.00 C +ATOM 143 CE LYS A 8 -7.083 -7.358 -2.351 1.00 0.00 C +ATOM 144 NZ LYS A 8 -7.467 -8.781 -2.499 1.00 0.00 N +ATOM 145 H LYS A 8 -3.201 -3.604 -0.166 1.00 0.00 H +ATOM 146 HA LYS A 8 -3.277 -6.443 -0.202 1.00 0.00 H +ATOM 147 HB2 LYS A 8 -3.830 -4.256 -2.119 1.00 0.00 H +ATOM 148 HB3 LYS A 8 -3.518 -5.782 -2.874 1.00 0.00 H +ATOM 149 HG2 LYS A 8 -5.538 -5.544 -0.657 1.00 0.00 H +ATOM 150 HG3 LYS A 8 -5.933 -5.099 -2.340 1.00 0.00 H +ATOM 151 HD2 LYS A 8 -4.999 -7.501 -2.849 1.00 0.00 H +ATOM 152 HD3 LYS A 8 -5.322 -7.812 -1.153 1.00 0.00 H +ATOM 153 HE2 LYS A 8 -7.668 -6.922 -1.564 1.00 0.00 H +ATOM 154 HE3 LYS A 8 -7.274 -6.823 -3.286 1.00 0.00 H +ATOM 155 HZ1 LYS A 8 -6.831 -9.251 -3.130 1.00 0.00 H +ATOM 156 HZ2 LYS A 8 -7.436 -9.244 -1.601 1.00 0.00 H +ATOM 157 HZ3 LYS A 8 -8.406 -8.854 -2.869 1.00 0.00 H +ATOM 158 N ASP A 9 -0.560 -5.331 -1.687 1.00 0.00 N +ATOM 159 CA ASP A 9 0.784 -5.780 -2.096 1.00 0.00 C +ATOM 160 C ASP A 9 1.568 -6.488 -0.965 1.00 0.00 C +ATOM 161 O ASP A 9 2.503 -7.234 -1.258 1.00 0.00 O +ATOM 162 CB ASP A 9 1.632 -4.594 -2.600 1.00 0.00 C +ATOM 163 CG ASP A 9 1.231 -4.011 -3.959 1.00 0.00 C +ATOM 164 OD1 ASP A 9 1.430 -4.722 -4.969 1.00 0.00 O +ATOM 165 OD2 ASP A 9 0.856 -2.815 -4.003 1.00 0.00 O +ATOM 166 H ASP A 9 -0.747 -4.339 -1.618 1.00 0.00 H +ATOM 167 HA ASP A 9 0.686 -6.498 -2.912 1.00 0.00 H +ATOM 168 HB2 ASP A 9 1.563 -3.808 -1.872 1.00 0.00 H +ATOM 169 HB3 ASP A 9 2.656 -4.948 -2.713 1.00 0.00 H +ATOM 170 N GLY A 10 1.199 -6.278 0.311 1.00 0.00 N +ATOM 171 CA GLY A 10 1.937 -6.750 1.490 1.00 0.00 C +ATOM 172 C GLY A 10 2.431 -5.639 2.432 1.00 0.00 C +ATOM 173 O GLY A 10 3.200 -5.926 3.352 1.00 0.00 O +ATOM 174 H GLY A 10 0.336 -5.769 0.474 1.00 0.00 H +ATOM 175 HA2 GLY A 10 1.286 -7.408 2.066 1.00 0.00 H +ATOM 176 HA3 GLY A 10 2.807 -7.329 1.179 1.00 0.00 H +ATOM 177 N GLY A 11 2.031 -4.376 2.219 1.00 0.00 N +ATOM 178 CA GLY A 11 2.470 -3.241 3.034 1.00 0.00 C +ATOM 179 C GLY A 11 4.000 -3.062 3.006 1.00 0.00 C +ATOM 180 O GLY A 11 4.575 -3.113 1.914 1.00 0.00 O +ATOM 181 H GLY A 11 1.469 -4.186 1.397 1.00 0.00 H +ATOM 182 HA2 GLY A 11 2.015 -2.334 2.636 1.00 0.00 H +ATOM 183 HA3 GLY A 11 2.114 -3.391 4.051 1.00 0.00 H +ATOM 184 N PRO A 12 4.686 -2.853 4.152 1.00 0.00 N +ATOM 185 CA PRO A 12 6.138 -2.627 4.199 1.00 0.00 C +ATOM 186 C PRO A 12 6.979 -3.705 3.499 1.00 0.00 C +ATOM 187 O PRO A 12 8.023 -3.398 2.928 1.00 0.00 O +ATOM 188 CB PRO A 12 6.504 -2.546 5.686 1.00 0.00 C +ATOM 189 CG PRO A 12 5.198 -2.156 6.370 1.00 0.00 C +ATOM 190 CD PRO A 12 4.133 -2.817 5.498 1.00 0.00 C +ATOM 191 HA PRO A 12 6.351 -1.666 3.730 1.00 0.00 H +ATOM 192 HB2 PRO A 12 6.853 -3.495 6.045 1.00 0.00 H +ATOM 193 HB3 PRO A 12 7.286 -1.807 5.866 1.00 0.00 H +ATOM 194 HG2 PRO A 12 5.162 -2.534 7.374 1.00 0.00 H +ATOM 195 HG3 PRO A 12 5.079 -1.073 6.340 1.00 0.00 H +ATOM 196 HD2 PRO A 12 3.931 -3.812 5.845 1.00 0.00 H +ATOM 197 HD3 PRO A 12 3.207 -2.241 5.544 1.00 0.00 H +ATOM 198 N SER A 13 6.508 -4.958 3.493 1.00 0.00 N +ATOM 199 CA SER A 13 7.189 -6.103 2.872 1.00 0.00 C +ATOM 200 C SER A 13 7.058 -6.147 1.336 1.00 0.00 C +ATOM 201 O SER A 13 7.435 -7.142 0.722 1.00 0.00 O +ATOM 202 CB SER A 13 6.693 -7.403 3.522 1.00 0.00 C +ATOM 203 OG SER A 13 7.056 -7.403 4.891 1.00 0.00 O +ATOM 204 H SER A 13 5.629 -5.143 3.955 1.00 0.00 H +ATOM 205 HA SER A 13 8.255 -6.026 3.087 1.00 0.00 H +ATOM 206 HB2 SER A 13 5.625 -7.465 3.433 1.00 0.00 H +ATOM 207 HB3 SER A 13 7.159 -8.260 3.034 1.00 0.00 H +ATOM 208 HG SER A 13 6.918 -8.284 5.253 1.00 0.00 H +ATOM 209 N SER A 14 6.545 -5.077 0.709 1.00 0.00 N +ATOM 210 CA SER A 14 6.283 -4.978 -0.737 1.00 0.00 C +ATOM 211 C SER A 14 7.371 -4.237 -1.526 1.00 0.00 C +ATOM 212 O SER A 14 7.218 -4.034 -2.732 1.00 0.00 O +ATOM 213 CB SER A 14 4.974 -4.222 -0.999 1.00 0.00 C +ATOM 214 OG SER A 14 3.964 -4.544 -0.082 1.00 0.00 O +ATOM 215 H SER A 14 6.237 -4.313 1.299 1.00 0.00 H +ATOM 216 HA SER A 14 6.178 -5.981 -1.151 1.00 0.00 H +ATOM 217 HB2 SER A 14 5.169 -3.169 -0.937 1.00 0.00 H +ATOM 218 HB3 SER A 14 4.638 -4.447 -2.011 1.00 0.00 H +ATOM 219 HG SER A 14 4.139 -4.000 0.726 1.00 0.00 H +ATOM 220 N GLY A 15 8.414 -3.725 -0.859 1.00 0.00 N +ATOM 221 CA GLY A 15 9.471 -2.894 -1.454 1.00 0.00 C +ATOM 222 C GLY A 15 9.041 -1.455 -1.795 1.00 0.00 C +ATOM 223 O GLY A 15 9.819 -0.525 -1.599 1.00 0.00 O +ATOM 224 H GLY A 15 8.450 -3.903 0.136 1.00 0.00 H +ATOM 225 HA2 GLY A 15 10.311 -2.842 -0.764 1.00 0.00 H +ATOM 226 HA3 GLY A 15 9.822 -3.367 -2.372 1.00 0.00 H +ATOM 227 N ARG A 16 7.814 -1.262 -2.297 1.00 0.00 N +ATOM 228 CA ARG A 16 7.226 0.051 -2.611 1.00 0.00 C +ATOM 229 C ARG A 16 6.816 0.830 -1.338 1.00 0.00 C +ATOM 230 O ARG A 16 6.195 0.243 -0.447 1.00 0.00 O +ATOM 231 CB ARG A 16 6.050 -0.120 -3.595 1.00 0.00 C +ATOM 232 CG ARG A 16 4.880 -0.960 -3.052 1.00 0.00 C +ATOM 233 CD ARG A 16 3.737 -1.115 -4.058 1.00 0.00 C +ATOM 234 NE ARG A 16 4.012 -2.181 -5.038 1.00 0.00 N +ATOM 235 CZ ARG A 16 3.322 -2.423 -6.147 1.00 0.00 C +ATOM 236 NH1 ARG A 16 2.338 -1.649 -6.533 1.00 0.00 N +ATOM 237 NH2 ARG A 16 3.618 -3.461 -6.892 1.00 0.00 N +ATOM 238 H ARG A 16 7.281 -2.107 -2.474 1.00 0.00 H +ATOM 239 HA ARG A 16 8.002 0.620 -3.123 1.00 0.00 H +ATOM 240 HB2 ARG A 16 5.676 0.855 -3.843 1.00 0.00 H +ATOM 241 HB3 ARG A 16 6.426 -0.587 -4.506 1.00 0.00 H +ATOM 242 HG2 ARG A 16 5.248 -1.936 -2.800 1.00 0.00 H +ATOM 243 HG3 ARG A 16 4.474 -0.469 -2.174 1.00 0.00 H +ATOM 244 HD2 ARG A 16 2.836 -1.356 -3.526 1.00 0.00 H +ATOM 245 HD3 ARG A 16 3.570 -0.162 -4.563 1.00 0.00 H +ATOM 246 HE ARG A 16 4.727 -2.848 -4.801 1.00 0.00 H +ATOM 247 HH11 ARG A 16 1.964 -1.052 -5.816 1.00 0.00 H +ATOM 248 HH12 ARG A 16 1.772 -1.893 -7.322 1.00 0.00 H +ATOM 249 HH21 ARG A 16 4.226 -4.165 -6.517 1.00 0.00 H +ATOM 250 HH22 ARG A 16 3.002 -3.699 -7.645 1.00 0.00 H +ATOM 251 N PRO A 17 7.097 2.147 -1.240 1.00 0.00 N +ATOM 252 CA PRO A 17 6.733 2.965 -0.077 1.00 0.00 C +ATOM 253 C PRO A 17 5.211 3.205 0.012 1.00 0.00 C +ATOM 254 O PRO A 17 4.514 3.057 -0.995 1.00 0.00 O +ATOM 255 CB PRO A 17 7.499 4.279 -0.266 1.00 0.00 C +ATOM 256 CG PRO A 17 7.601 4.413 -1.783 1.00 0.00 C +ATOM 257 CD PRO A 17 7.764 2.966 -2.245 1.00 0.00 C +ATOM 258 HA PRO A 17 7.073 2.472 0.834 1.00 0.00 H +ATOM 259 HB2 PRO A 17 6.958 5.103 0.157 1.00 0.00 H +ATOM 260 HB3 PRO A 17 8.500 4.183 0.158 1.00 0.00 H +ATOM 261 HG2 PRO A 17 6.711 4.851 -2.192 1.00 0.00 H +ATOM 262 HG3 PRO A 17 8.451 5.031 -2.080 1.00 0.00 H +ATOM 263 HD2 PRO A 17 7.305 2.827 -3.205 1.00 0.00 H +ATOM 264 HD3 PRO A 17 8.823 2.707 -2.277 1.00 0.00 H +ATOM 265 N PRO A 18 4.682 3.595 1.190 1.00 0.00 N +ATOM 266 CA PRO A 18 3.257 3.860 1.368 1.00 0.00 C +ATOM 267 C PRO A 18 2.815 5.129 0.616 1.00 0.00 C +ATOM 268 O PRO A 18 3.586 6.086 0.526 1.00 0.00 O +ATOM 269 CB PRO A 18 3.049 4.007 2.879 1.00 0.00 C +ATOM 270 CG PRO A 18 4.407 4.496 3.377 1.00 0.00 C +ATOM 271 CD PRO A 18 5.393 3.792 2.447 1.00 0.00 C +ATOM 272 HA PRO A 18 2.691 3.004 1.010 1.00 0.00 H +ATOM 273 HB2 PRO A 18 2.280 4.725 3.093 1.00 0.00 H +ATOM 274 HB3 PRO A 18 2.830 3.031 3.313 1.00 0.00 H +ATOM 275 HG2 PRO A 18 4.488 5.562 3.288 1.00 0.00 H +ATOM 276 HG3 PRO A 18 4.575 4.231 4.423 1.00 0.00 H +ATOM 277 HD2 PRO A 18 6.262 4.402 2.293 1.00 0.00 H +ATOM 278 HD3 PRO A 18 5.666 2.823 2.864 1.00 0.00 H +ATOM 279 N PRO A 19 1.564 5.179 0.116 1.00 0.00 N +ATOM 280 CA PRO A 19 1.048 6.326 -0.630 1.00 0.00 C +ATOM 281 C PRO A 19 0.603 7.495 0.262 1.00 0.00 C +ATOM 282 O PRO A 19 0.510 8.619 -0.227 1.00 0.00 O +ATOM 283 CB PRO A 19 -0.136 5.763 -1.415 1.00 0.00 C +ATOM 284 CG PRO A 19 -0.683 4.666 -0.501 1.00 0.00 C +ATOM 285 CD PRO A 19 0.585 4.100 0.134 1.00 0.00 C +ATOM 286 HA PRO A 19 1.801 6.695 -1.328 1.00 0.00 H +ATOM 287 HB2 PRO A 19 -0.875 6.521 -1.589 1.00 0.00 H +ATOM 288 HB3 PRO A 19 0.239 5.311 -2.333 1.00 0.00 H +ATOM 289 HG2 PRO A 19 -1.340 5.073 0.243 1.00 0.00 H +ATOM 290 HG3 PRO A 19 -1.221 3.904 -1.064 1.00 0.00 H +ATOM 291 HD2 PRO A 19 0.390 3.791 1.143 1.00 0.00 H +ATOM 292 HD3 PRO A 19 0.959 3.279 -0.477 1.00 0.00 H +ATOM 293 N SER A 20 0.367 7.228 1.556 1.00 0.00 N +ATOM 294 CA SER A 20 -0.233 8.139 2.544 1.00 0.00 C +ATOM 295 C SER A 20 -1.656 8.585 2.160 1.00 0.00 C +ATOM 296 O SER A 20 -2.384 7.708 1.628 1.00 0.00 O +ATOM 297 CB SER A 20 0.737 9.297 2.810 1.00 0.00 C +ATOM 298 OG SER A 20 0.750 9.605 4.190 1.00 0.00 O +ATOM 299 OXT SER A 20 -2.026 9.739 2.451 1.00 0.00 O +ATOM 300 H SER A 20 0.453 6.262 1.817 1.00 0.00 H +ATOM 301 HA SER A 20 -0.350 7.592 3.476 1.00 0.00 H +ATOM 302 HB2 SER A 20 1.724 9.013 2.499 1.00 0.00 H +ATOM 303 HB3 SER A 20 0.448 10.165 2.214 1.00 0.00 H +ATOM 304 HG SER A 20 0.692 10.559 4.282 1.00 0.00 H +TER 305 SER A 20 +ENDMDL +MODEL 7 +ATOM 1 N ASN A 1 -8.903 5.528 -0.196 1.00 0.00 N +ATOM 2 CA ASN A 1 -7.549 5.998 -0.581 1.00 0.00 C +ATOM 3 C ASN A 1 -6.760 4.831 -1.189 1.00 0.00 C +ATOM 4 O ASN A 1 -7.247 3.705 -1.144 1.00 0.00 O +ATOM 5 CB ASN A 1 -6.831 6.647 0.620 1.00 0.00 C +ATOM 6 CG ASN A 1 -5.684 7.538 0.154 1.00 0.00 C +ATOM 7 OD1 ASN A 1 -4.583 7.063 -0.078 1.00 0.00 O +ATOM 8 ND2 ASN A 1 -5.924 8.815 -0.078 1.00 0.00 N +ATOM 9 H1 ASN A 1 -9.364 5.129 -1.005 1.00 0.00 H +ATOM 10 H2 ASN A 1 -8.821 4.800 0.502 1.00 0.00 H +ATOM 11 H3 ASN A 1 -9.457 6.290 0.168 1.00 0.00 H +ATOM 12 HA ASN A 1 -7.661 6.757 -1.358 1.00 0.00 H +ATOM 13 HB2 ASN A 1 -7.535 7.240 1.171 1.00 0.00 H +ATOM 14 HB3 ASN A 1 -6.437 5.876 1.282 1.00 0.00 H +ATOM 15 HD21 ASN A 1 -6.803 9.269 0.111 1.00 0.00 H +ATOM 16 HD22 ASN A 1 -5.123 9.345 -0.388 1.00 0.00 H +ATOM 17 N LEU A 2 -5.566 5.065 -1.745 1.00 0.00 N +ATOM 18 CA LEU A 2 -4.705 4.017 -2.308 1.00 0.00 C +ATOM 19 C LEU A 2 -4.063 3.108 -1.244 1.00 0.00 C +ATOM 20 O LEU A 2 -3.570 2.036 -1.587 1.00 0.00 O +ATOM 21 CB LEU A 2 -3.636 4.665 -3.218 1.00 0.00 C +ATOM 22 CG LEU A 2 -3.984 4.537 -4.715 1.00 0.00 C +ATOM 23 CD1 LEU A 2 -3.137 5.490 -5.557 1.00 0.00 C +ATOM 24 CD2 LEU A 2 -3.737 3.110 -5.216 1.00 0.00 C +ATOM 25 H LEU A 2 -5.153 5.991 -1.653 1.00 0.00 H +ATOM 26 HA LEU A 2 -5.332 3.363 -2.913 1.00 0.00 H +ATOM 27 HB2 LEU A 2 -3.557 5.706 -2.970 1.00 0.00 H +ATOM 28 HB3 LEU A 2 -2.666 4.195 -3.051 1.00 0.00 H +ATOM 29 HG LEU A 2 -5.035 4.787 -4.864 1.00 0.00 H +ATOM 30 HD11 LEU A 2 -3.377 6.522 -5.297 1.00 0.00 H +ATOM 31 HD12 LEU A 2 -2.077 5.308 -5.382 1.00 0.00 H +ATOM 32 HD13 LEU A 2 -3.356 5.339 -6.615 1.00 0.00 H +ATOM 33 HD21 LEU A 2 -2.687 2.842 -5.096 1.00 0.00 H +ATOM 34 HD22 LEU A 2 -4.350 2.412 -4.658 1.00 0.00 H +ATOM 35 HD23 LEU A 2 -4.007 3.032 -6.270 1.00 0.00 H +ATOM 36 N TYR A 3 -4.102 3.487 0.042 1.00 0.00 N +ATOM 37 CA TYR A 3 -3.503 2.730 1.149 1.00 0.00 C +ATOM 38 C TYR A 3 -3.977 1.265 1.216 1.00 0.00 C +ATOM 39 O TYR A 3 -3.168 0.369 1.448 1.00 0.00 O +ATOM 40 CB TYR A 3 -3.768 3.466 2.474 1.00 0.00 C +ATOM 41 CG TYR A 3 -2.672 3.279 3.509 1.00 0.00 C +ATOM 42 CD1 TYR A 3 -2.536 2.057 4.196 1.00 0.00 C +ATOM 43 CD2 TYR A 3 -1.783 4.339 3.784 1.00 0.00 C +ATOM 44 CE1 TYR A 3 -1.523 1.895 5.162 1.00 0.00 C +ATOM 45 CE2 TYR A 3 -0.765 4.177 4.741 1.00 0.00 C +ATOM 46 CZ TYR A 3 -0.640 2.961 5.441 1.00 0.00 C +ATOM 47 OH TYR A 3 0.309 2.837 6.407 1.00 0.00 O +ATOM 48 H TYR A 3 -4.453 4.414 0.232 1.00 0.00 H +ATOM 49 HA TYR A 3 -2.424 2.713 0.990 1.00 0.00 H +ATOM 50 HB2 TYR A 3 -3.861 4.514 2.266 1.00 0.00 H +ATOM 51 HB3 TYR A 3 -4.720 3.136 2.894 1.00 0.00 H +ATOM 52 HD1 TYR A 3 -3.211 1.241 3.988 1.00 0.00 H +ATOM 53 HD2 TYR A 3 -1.890 5.287 3.275 1.00 0.00 H +ATOM 54 HE1 TYR A 3 -1.418 0.959 5.689 1.00 0.00 H +ATOM 55 HE2 TYR A 3 -0.083 4.982 4.975 1.00 0.00 H +ATOM 56 HH TYR A 3 0.037 2.243 7.107 1.00 0.00 H +ATOM 57 N ILE A 4 -5.269 1.004 0.959 1.00 0.00 N +ATOM 58 CA ILE A 4 -5.833 -0.356 0.888 1.00 0.00 C +ATOM 59 C ILE A 4 -5.161 -1.164 -0.238 1.00 0.00 C +ATOM 60 O ILE A 4 -4.772 -2.318 -0.049 1.00 0.00 O +ATOM 61 CB ILE A 4 -7.371 -0.313 0.696 1.00 0.00 C +ATOM 62 CG1 ILE A 4 -8.110 0.552 1.752 1.00 0.00 C +ATOM 63 CG2 ILE A 4 -7.954 -1.737 0.753 1.00 0.00 C +ATOM 64 CD1 ILE A 4 -8.509 1.938 1.232 1.00 0.00 C +ATOM 65 H ILE A 4 -5.872 1.790 0.762 1.00 0.00 H +ATOM 66 HA ILE A 4 -5.619 -0.864 1.831 1.00 0.00 H +ATOM 67 HB ILE A 4 -7.587 0.085 -0.297 1.00 0.00 H +ATOM 68 HG12 ILE A 4 -8.999 0.033 2.055 1.00 0.00 H +ATOM 69 HG13 ILE A 4 -7.496 0.664 2.647 1.00 0.00 H +ATOM 70 HG21 ILE A 4 -7.517 -2.368 -0.021 1.00 0.00 H +ATOM 71 HG22 ILE A 4 -7.761 -2.183 1.729 1.00 0.00 H +ATOM 72 HG23 ILE A 4 -9.031 -1.704 0.581 1.00 0.00 H +ATOM 73 HD11 ILE A 4 -7.626 2.563 1.121 1.00 0.00 H +ATOM 74 HD12 ILE A 4 -9.024 1.846 0.274 1.00 0.00 H +ATOM 75 HD13 ILE A 4 -9.188 2.410 1.945 1.00 0.00 H +ATOM 76 N GLN A 5 -5.003 -0.544 -1.411 1.00 0.00 N +ATOM 77 CA GLN A 5 -4.375 -1.125 -2.597 1.00 0.00 C +ATOM 78 C GLN A 5 -2.869 -1.353 -2.405 1.00 0.00 C +ATOM 79 O GLN A 5 -2.354 -2.357 -2.886 1.00 0.00 O +ATOM 80 CB GLN A 5 -4.661 -0.216 -3.809 1.00 0.00 C +ATOM 81 CG GLN A 5 -5.379 -0.927 -4.966 1.00 0.00 C +ATOM 82 CD GLN A 5 -4.417 -1.485 -6.011 1.00 0.00 C +ATOM 83 OE1 GLN A 5 -4.226 -0.906 -7.068 1.00 0.00 O +ATOM 84 NE2 GLN A 5 -3.781 -2.614 -5.772 1.00 0.00 N +ATOM 85 H GLN A 5 -5.256 0.433 -1.455 1.00 0.00 H +ATOM 86 HA GLN A 5 -4.826 -2.102 -2.768 1.00 0.00 H +ATOM 87 HB2 GLN A 5 -5.275 0.600 -3.481 1.00 0.00 H +ATOM 88 HB3 GLN A 5 -3.731 0.222 -4.174 1.00 0.00 H +ATOM 89 HG2 GLN A 5 -5.955 -1.738 -4.564 1.00 0.00 H +ATOM 90 HG3 GLN A 5 -6.017 -0.197 -5.466 1.00 0.00 H +ATOM 91 HE21 GLN A 5 -3.799 -3.091 -4.886 1.00 0.00 H +ATOM 92 HE22 GLN A 5 -3.166 -2.885 -6.520 1.00 0.00 H +ATOM 93 N TRP A 6 -2.181 -0.471 -1.666 1.00 0.00 N +ATOM 94 CA TRP A 6 -0.803 -0.688 -1.216 1.00 0.00 C +ATOM 95 C TRP A 6 -0.702 -1.871 -0.236 1.00 0.00 C +ATOM 96 O TRP A 6 0.137 -2.753 -0.420 1.00 0.00 O +ATOM 97 CB TRP A 6 -0.253 0.612 -0.609 1.00 0.00 C +ATOM 98 CG TRP A 6 1.148 0.524 -0.079 1.00 0.00 C +ATOM 99 CD1 TRP A 6 2.275 0.502 -0.828 1.00 0.00 C +ATOM 100 CD2 TRP A 6 1.590 0.428 1.311 1.00 0.00 C +ATOM 101 NE1 TRP A 6 3.377 0.391 0.000 1.00 0.00 N +ATOM 102 CE2 TRP A 6 3.013 0.346 1.324 1.00 0.00 C +ATOM 103 CE3 TRP A 6 0.937 0.410 2.563 1.00 0.00 C +ATOM 104 CZ2 TRP A 6 3.756 0.265 2.509 1.00 0.00 C +ATOM 105 CZ3 TRP A 6 1.672 0.321 3.762 1.00 0.00 C +ATOM 106 CH2 TRP A 6 3.077 0.254 3.738 1.00 0.00 C +ATOM 107 H TRP A 6 -2.666 0.378 -1.389 1.00 0.00 H +ATOM 108 HA TRP A 6 -0.189 -0.942 -2.080 1.00 0.00 H +ATOM 109 HB2 TRP A 6 -0.274 1.369 -1.369 1.00 0.00 H +ATOM 110 HB3 TRP A 6 -0.902 0.932 0.205 1.00 0.00 H +ATOM 111 HD1 TRP A 6 2.303 0.552 -1.909 1.00 0.00 H +ATOM 112 HE1 TRP A 6 4.354 0.366 -0.301 1.00 0.00 H +ATOM 113 HE3 TRP A 6 -0.141 0.482 2.594 1.00 0.00 H +ATOM 114 HZ2 TRP A 6 4.833 0.212 2.461 1.00 0.00 H +ATOM 115 HZ3 TRP A 6 1.154 0.320 4.711 1.00 0.00 H +ATOM 116 HH2 TRP A 6 3.633 0.202 4.663 1.00 0.00 H +ATOM 117 N LEU A 7 -1.584 -1.939 0.773 1.00 0.00 N +ATOM 118 CA LEU A 7 -1.618 -3.061 1.719 1.00 0.00 C +ATOM 119 C LEU A 7 -1.896 -4.418 1.055 1.00 0.00 C +ATOM 120 O LEU A 7 -1.383 -5.420 1.551 1.00 0.00 O +ATOM 121 CB LEU A 7 -2.638 -2.803 2.843 1.00 0.00 C +ATOM 122 CG LEU A 7 -2.158 -1.828 3.935 1.00 0.00 C +ATOM 123 CD1 LEU A 7 -3.332 -1.509 4.865 1.00 0.00 C +ATOM 124 CD2 LEU A 7 -1.029 -2.411 4.793 1.00 0.00 C +ATOM 125 H LEU A 7 -2.238 -1.169 0.902 1.00 0.00 H +ATOM 126 HA LEU A 7 -0.625 -3.152 2.159 1.00 0.00 H +ATOM 127 HB2 LEU A 7 -3.528 -2.398 2.401 1.00 0.00 H +ATOM 128 HB3 LEU A 7 -2.875 -3.753 3.326 1.00 0.00 H +ATOM 129 HG LEU A 7 -1.813 -0.903 3.475 1.00 0.00 H +ATOM 130 HD11 LEU A 7 -4.138 -1.046 4.295 1.00 0.00 H +ATOM 131 HD12 LEU A 7 -3.701 -2.424 5.328 1.00 0.00 H +ATOM 132 HD13 LEU A 7 -3.014 -0.822 5.647 1.00 0.00 H +ATOM 133 HD21 LEU A 7 -1.366 -3.322 5.290 1.00 0.00 H +ATOM 134 HD22 LEU A 7 -0.162 -2.644 4.181 1.00 0.00 H +ATOM 135 HD23 LEU A 7 -0.726 -1.685 5.547 1.00 0.00 H +ATOM 136 N LYS A 8 -2.649 -4.469 -0.060 1.00 0.00 N +ATOM 137 CA LYS A 8 -2.926 -5.712 -0.805 1.00 0.00 C +ATOM 138 C LYS A 8 -1.673 -6.493 -1.213 1.00 0.00 C +ATOM 139 O LYS A 8 -1.747 -7.718 -1.261 1.00 0.00 O +ATOM 140 CB LYS A 8 -3.745 -5.435 -2.077 1.00 0.00 C +ATOM 141 CG LYS A 8 -5.245 -5.187 -1.834 1.00 0.00 C +ATOM 142 CD LYS A 8 -6.112 -6.160 -2.652 1.00 0.00 C +ATOM 143 CE LYS A 8 -6.013 -7.607 -2.144 1.00 0.00 C +ATOM 144 NZ LYS A 8 -6.775 -7.803 -0.889 1.00 0.00 N +ATOM 145 H LYS A 8 -3.091 -3.603 -0.351 1.00 0.00 H +ATOM 146 HA LYS A 8 -3.486 -6.385 -0.157 1.00 0.00 H +ATOM 147 HB2 LYS A 8 -3.336 -4.566 -2.556 1.00 0.00 H +ATOM 148 HB3 LYS A 8 -3.629 -6.287 -2.748 1.00 0.00 H +ATOM 149 HG2 LYS A 8 -5.457 -5.322 -0.791 1.00 0.00 H +ATOM 150 HG3 LYS A 8 -5.483 -4.171 -2.145 1.00 0.00 H +ATOM 151 HD2 LYS A 8 -7.135 -5.843 -2.591 1.00 0.00 H +ATOM 152 HD3 LYS A 8 -5.787 -6.129 -3.694 1.00 0.00 H +ATOM 153 HE2 LYS A 8 -6.405 -8.266 -2.895 1.00 0.00 H +ATOM 154 HE3 LYS A 8 -4.957 -7.857 -1.989 1.00 0.00 H +ATOM 155 HZ1 LYS A 8 -6.431 -7.175 -0.174 1.00 0.00 H +ATOM 156 HZ2 LYS A 8 -7.755 -7.610 -1.046 1.00 0.00 H +ATOM 157 HZ3 LYS A 8 -6.676 -8.755 -0.564 1.00 0.00 H +ATOM 158 N ASP A 9 -0.575 -5.806 -1.542 1.00 0.00 N +ATOM 159 CA ASP A 9 0.679 -6.439 -1.960 1.00 0.00 C +ATOM 160 C ASP A 9 1.407 -7.073 -0.759 1.00 0.00 C +ATOM 161 O ASP A 9 1.771 -8.246 -0.798 1.00 0.00 O +ATOM 162 CB ASP A 9 1.529 -5.384 -2.684 1.00 0.00 C +ATOM 163 CG ASP A 9 2.629 -6.016 -3.539 1.00 0.00 C +ATOM 164 OD1 ASP A 9 3.661 -6.415 -2.960 1.00 0.00 O +ATOM 165 OD2 ASP A 9 2.415 -6.083 -4.770 1.00 0.00 O +ATOM 166 H ASP A 9 -0.608 -4.796 -1.483 1.00 0.00 H +ATOM 167 HA ASP A 9 0.451 -7.236 -2.670 1.00 0.00 H +ATOM 168 HB2 ASP A 9 0.890 -4.801 -3.319 1.00 0.00 H +ATOM 169 HB3 ASP A 9 1.960 -4.694 -1.962 1.00 0.00 H +ATOM 170 N GLY A 10 1.538 -6.316 0.338 1.00 0.00 N +ATOM 171 CA GLY A 10 2.154 -6.771 1.590 1.00 0.00 C +ATOM 172 C GLY A 10 2.656 -5.655 2.516 1.00 0.00 C +ATOM 173 O GLY A 10 3.600 -5.875 3.278 1.00 0.00 O +ATOM 174 H GLY A 10 1.219 -5.364 0.236 1.00 0.00 H +ATOM 175 HA2 GLY A 10 1.421 -7.360 2.140 1.00 0.00 H +ATOM 176 HA3 GLY A 10 2.998 -7.420 1.354 1.00 0.00 H +ATOM 177 N GLY A 11 2.069 -4.451 2.456 1.00 0.00 N +ATOM 178 CA GLY A 11 2.511 -3.295 3.240 1.00 0.00 C +ATOM 179 C GLY A 11 4.009 -2.997 3.049 1.00 0.00 C +ATOM 180 O GLY A 11 4.473 -2.994 1.904 1.00 0.00 O +ATOM 181 H GLY A 11 1.299 -4.330 1.814 1.00 0.00 H +ATOM 182 HA2 GLY A 11 1.950 -2.415 2.922 1.00 0.00 H +ATOM 183 HA3 GLY A 11 2.285 -3.490 4.287 1.00 0.00 H +ATOM 184 N PRO A 12 4.798 -2.757 4.119 1.00 0.00 N +ATOM 185 CA PRO A 12 6.237 -2.490 4.008 1.00 0.00 C +ATOM 186 C PRO A 12 7.033 -3.579 3.271 1.00 0.00 C +ATOM 187 O PRO A 12 8.035 -3.275 2.626 1.00 0.00 O +ATOM 188 CB PRO A 12 6.745 -2.333 5.447 1.00 0.00 C +ATOM 189 CG PRO A 12 5.496 -1.973 6.248 1.00 0.00 C +ATOM 190 CD PRO A 12 4.382 -2.715 5.512 1.00 0.00 C +ATOM 191 HA PRO A 12 6.371 -1.546 3.479 1.00 0.00 H +ATOM 192 HB2 PRO A 12 7.173 -3.251 5.802 1.00 0.00 H +ATOM 193 HB3 PRO A 12 7.505 -1.553 5.517 1.00 0.00 H +ATOM 194 HG2 PRO A 12 5.579 -2.312 7.263 1.00 0.00 H +ATOM 195 HG3 PRO A 12 5.320 -0.898 6.189 1.00 0.00 H +ATOM 196 HD2 PRO A 12 4.273 -3.709 5.901 1.00 0.00 H +ATOM 197 HD3 PRO A 12 3.437 -2.188 5.641 1.00 0.00 H +ATOM 198 N SER A 13 6.580 -4.841 3.318 1.00 0.00 N +ATOM 199 CA SER A 13 7.226 -5.980 2.655 1.00 0.00 C +ATOM 200 C SER A 13 6.995 -6.022 1.132 1.00 0.00 C +ATOM 201 O SER A 13 7.473 -6.945 0.480 1.00 0.00 O +ATOM 202 CB SER A 13 6.775 -7.286 3.323 1.00 0.00 C +ATOM 203 OG SER A 13 7.214 -7.315 4.671 1.00 0.00 O +ATOM 204 H SER A 13 5.719 -5.035 3.818 1.00 0.00 H +ATOM 205 HA SER A 13 8.303 -5.894 2.797 1.00 0.00 H +ATOM 206 HB2 SER A 13 5.704 -7.348 3.296 1.00 0.00 H +ATOM 207 HB3 SER A 13 7.200 -8.143 2.797 1.00 0.00 H +ATOM 208 HG SER A 13 8.172 -7.390 4.683 1.00 0.00 H +ATOM 209 N SER A 14 6.312 -5.020 0.559 1.00 0.00 N +ATOM 210 CA SER A 14 6.003 -4.909 -0.880 1.00 0.00 C +ATOM 211 C SER A 14 7.153 -4.342 -1.729 1.00 0.00 C +ATOM 212 O SER A 14 7.036 -4.271 -2.950 1.00 0.00 O +ATOM 213 CB SER A 14 4.797 -3.981 -1.103 1.00 0.00 C +ATOM 214 OG SER A 14 3.761 -4.194 -0.169 1.00 0.00 O +ATOM 215 H SER A 14 5.943 -4.308 1.175 1.00 0.00 H +ATOM 216 HA SER A 14 5.743 -5.896 -1.266 1.00 0.00 H +ATOM 217 HB2 SER A 14 5.128 -2.964 -1.021 1.00 0.00 H +ATOM 218 HB3 SER A 14 4.414 -4.137 -2.112 1.00 0.00 H +ATOM 219 HG SER A 14 4.006 -3.709 0.659 1.00 0.00 H +ATOM 220 N GLY A 15 8.240 -3.857 -1.110 1.00 0.00 N +ATOM 221 CA GLY A 15 9.347 -3.207 -1.825 1.00 0.00 C +ATOM 222 C GLY A 15 9.072 -1.761 -2.273 1.00 0.00 C +ATOM 223 O GLY A 15 9.838 -1.222 -3.067 1.00 0.00 O +ATOM 224 H GLY A 15 8.290 -3.959 -0.106 1.00 0.00 H +ATOM 225 HA2 GLY A 15 10.231 -3.198 -1.187 1.00 0.00 H +ATOM 226 HA3 GLY A 15 9.588 -3.789 -2.715 1.00 0.00 H +ATOM 227 N ARG A 16 7.994 -1.127 -1.781 1.00 0.00 N +ATOM 228 CA ARG A 16 7.572 0.231 -2.153 1.00 0.00 C +ATOM 229 C ARG A 16 6.983 0.981 -0.944 1.00 0.00 C +ATOM 230 O ARG A 16 6.181 0.382 -0.224 1.00 0.00 O +ATOM 231 CB ARG A 16 6.533 0.117 -3.285 1.00 0.00 C +ATOM 232 CG ARG A 16 6.200 1.481 -3.901 1.00 0.00 C +ATOM 233 CD ARG A 16 5.147 1.363 -5.008 1.00 0.00 C +ATOM 234 NE ARG A 16 5.045 2.615 -5.780 1.00 0.00 N +ATOM 235 CZ ARG A 16 4.495 3.765 -5.404 1.00 0.00 C +ATOM 236 NH1 ARG A 16 3.939 3.937 -4.225 1.00 0.00 N +ATOM 237 NH2 ARG A 16 4.510 4.784 -6.232 1.00 0.00 N +ATOM 238 H ARG A 16 7.425 -1.634 -1.117 1.00 0.00 H +ATOM 239 HA ARG A 16 8.445 0.765 -2.527 1.00 0.00 H +ATOM 240 HB2 ARG A 16 6.925 -0.523 -4.052 1.00 0.00 H +ATOM 241 HB3 ARG A 16 5.621 -0.343 -2.899 1.00 0.00 H +ATOM 242 HG2 ARG A 16 5.824 2.127 -3.131 1.00 0.00 H +ATOM 243 HG3 ARG A 16 7.111 1.904 -4.324 1.00 0.00 H +ATOM 244 HD2 ARG A 16 5.422 0.565 -5.670 1.00 0.00 H +ATOM 245 HD3 ARG A 16 4.180 1.105 -4.573 1.00 0.00 H +ATOM 246 HE ARG A 16 5.452 2.594 -6.699 1.00 0.00 H +ATOM 247 HH11 ARG A 16 3.987 3.199 -3.541 1.00 0.00 H +ATOM 248 HH12 ARG A 16 3.537 4.819 -3.965 1.00 0.00 H +ATOM 249 HH21 ARG A 16 4.943 4.701 -7.136 1.00 0.00 H +ATOM 250 HH22 ARG A 16 4.103 5.659 -5.956 1.00 0.00 H +ATOM 251 N PRO A 17 7.298 2.279 -0.734 1.00 0.00 N +ATOM 252 CA PRO A 17 6.723 3.073 0.357 1.00 0.00 C +ATOM 253 C PRO A 17 5.203 3.301 0.202 1.00 0.00 C +ATOM 254 O PRO A 17 4.670 3.166 -0.908 1.00 0.00 O +ATOM 255 CB PRO A 17 7.497 4.399 0.343 1.00 0.00 C +ATOM 256 CG PRO A 17 7.943 4.539 -1.109 1.00 0.00 C +ATOM 257 CD PRO A 17 8.231 3.093 -1.505 1.00 0.00 C +ATOM 258 HA PRO A 17 6.912 2.560 1.300 1.00 0.00 H +ATOM 259 HB2 PRO A 17 6.863 5.216 0.629 1.00 0.00 H +ATOM 260 HB3 PRO A 17 8.374 4.317 0.985 1.00 0.00 H +ATOM 261 HG2 PRO A 17 7.164 4.960 -1.715 1.00 0.00 H +ATOM 262 HG3 PRO A 17 8.827 5.172 -1.206 1.00 0.00 H +ATOM 263 HD2 PRO A 17 8.069 2.954 -2.556 1.00 0.00 H +ATOM 264 HD3 PRO A 17 9.253 2.834 -1.225 1.00 0.00 H +ATOM 265 N PRO A 18 4.505 3.662 1.301 1.00 0.00 N +ATOM 266 CA PRO A 18 3.065 3.925 1.293 1.00 0.00 C +ATOM 267 C PRO A 18 2.700 5.218 0.535 1.00 0.00 C +ATOM 268 O PRO A 18 3.563 6.066 0.303 1.00 0.00 O +ATOM 269 CB PRO A 18 2.661 4.003 2.774 1.00 0.00 C +ATOM 270 CG PRO A 18 3.933 4.476 3.472 1.00 0.00 C +ATOM 271 CD PRO A 18 5.039 3.819 2.649 1.00 0.00 C +ATOM 272 HA PRO A 18 2.557 3.083 0.827 1.00 0.00 H +ATOM 273 HB2 PRO A 18 1.863 4.706 2.916 1.00 0.00 H +ATOM 274 HB3 PRO A 18 2.402 3.008 3.132 1.00 0.00 H +ATOM 275 HG2 PRO A 18 4.014 5.546 3.443 1.00 0.00 H +ATOM 276 HG3 PRO A 18 3.962 4.161 4.516 1.00 0.00 H +ATOM 277 HD2 PRO A 18 5.912 4.443 2.633 1.00 0.00 H +ATOM 278 HD3 PRO A 18 5.271 2.838 3.065 1.00 0.00 H +ATOM 279 N PRO A 19 1.420 5.389 0.147 1.00 0.00 N +ATOM 280 CA PRO A 19 0.934 6.590 -0.541 1.00 0.00 C +ATOM 281 C PRO A 19 0.630 7.773 0.396 1.00 0.00 C +ATOM 282 O PRO A 19 0.546 8.904 -0.075 1.00 0.00 O +ATOM 283 CB PRO A 19 -0.347 6.136 -1.247 1.00 0.00 C +ATOM 284 CG PRO A 19 -0.893 5.051 -0.317 1.00 0.00 C +ATOM 285 CD PRO A 19 0.371 4.378 0.209 1.00 0.00 C +ATOM 286 HA PRO A 19 1.659 6.921 -1.282 1.00 0.00 H +ATOM 287 HB2 PRO A 19 -1.043 6.948 -1.342 1.00 0.00 H +ATOM 288 HB3 PRO A 19 -0.093 5.696 -2.212 1.00 0.00 H +ATOM 289 HG2 PRO A 19 -1.462 5.481 0.484 1.00 0.00 H +ATOM 290 HG3 PRO A 19 -1.521 4.344 -0.854 1.00 0.00 H +ATOM 291 HD2 PRO A 19 0.226 4.052 1.221 1.00 0.00 H +ATOM 292 HD3 PRO A 19 0.641 3.547 -0.443 1.00 0.00 H +ATOM 293 N SER A 20 0.436 7.512 1.697 1.00 0.00 N +ATOM 294 CA SER A 20 0.332 8.504 2.776 1.00 0.00 C +ATOM 295 C SER A 20 1.687 8.700 3.451 1.00 0.00 C +ATOM 296 O SER A 20 2.070 9.878 3.606 1.00 0.00 O +ATOM 297 CB SER A 20 -0.673 8.043 3.830 1.00 0.00 C +ATOM 298 OG SER A 20 -1.935 7.948 3.212 1.00 0.00 O +ATOM 299 OXT SER A 20 2.277 7.664 3.828 1.00 0.00 O +ATOM 300 H SER A 20 0.578 6.559 1.993 1.00 0.00 H +ATOM 301 HA SER A 20 0.032 9.475 2.381 1.00 0.00 H +ATOM 302 HB2 SER A 20 -0.383 7.085 4.216 1.00 0.00 H +ATOM 303 HB3 SER A 20 -0.705 8.762 4.652 1.00 0.00 H +ATOM 304 HG SER A 20 -1.800 8.230 2.302 1.00 0.00 H +TER 305 SER A 20 +ENDMDL +MODEL 8 +ATOM 1 N ASN A 1 -8.769 4.941 0.058 1.00 0.00 N +ATOM 2 CA ASN A 1 -8.628 3.743 -0.810 1.00 0.00 C +ATOM 3 C ASN A 1 -7.194 3.417 -1.223 1.00 0.00 C +ATOM 4 O ASN A 1 -6.825 2.255 -1.104 1.00 0.00 O +ATOM 5 CB ASN A 1 -9.576 3.798 -2.012 1.00 0.00 C +ATOM 6 CG ASN A 1 -10.980 3.563 -1.485 1.00 0.00 C +ATOM 7 OD1 ASN A 1 -11.581 4.475 -0.943 1.00 0.00 O +ATOM 8 ND2 ASN A 1 -11.465 2.335 -1.495 1.00 0.00 N +ATOM 9 H1 ASN A 1 -8.177 4.864 0.873 1.00 0.00 H +ATOM 10 H2 ASN A 1 -8.539 5.782 -0.450 1.00 0.00 H +ATOM 11 H3 ASN A 1 -9.736 5.016 0.359 1.00 0.00 H +ATOM 12 HA ASN A 1 -8.940 2.881 -0.218 1.00 0.00 H +ATOM 13 HB2 ASN A 1 -9.516 4.760 -2.484 1.00 0.00 H +ATOM 14 HB3 ASN A 1 -9.322 3.021 -2.735 1.00 0.00 H +ATOM 15 HD21 ASN A 1 -10.980 1.548 -1.895 1.00 0.00 H +ATOM 16 HD22 ASN A 1 -12.387 2.236 -1.101 1.00 0.00 H +ATOM 17 N LEU A 2 -6.386 4.385 -1.677 1.00 0.00 N +ATOM 18 CA LEU A 2 -4.979 4.182 -2.071 1.00 0.00 C +ATOM 19 C LEU A 2 -4.170 3.301 -1.091 1.00 0.00 C +ATOM 20 O LEU A 2 -3.510 2.351 -1.513 1.00 0.00 O +ATOM 21 CB LEU A 2 -4.298 5.547 -2.330 1.00 0.00 C +ATOM 22 CG LEU A 2 -4.562 6.652 -1.277 1.00 0.00 C +ATOM 23 CD1 LEU A 2 -3.311 7.480 -1.001 1.00 0.00 C +ATOM 24 CD2 LEU A 2 -5.661 7.624 -1.728 1.00 0.00 C +ATOM 25 H LEU A 2 -6.742 5.314 -1.830 1.00 0.00 H +ATOM 26 HA LEU A 2 -4.973 3.640 -3.018 1.00 0.00 H +ATOM 27 HB2 LEU A 2 -3.239 5.382 -2.373 1.00 0.00 H +ATOM 28 HB3 LEU A 2 -4.613 5.914 -3.308 1.00 0.00 H +ATOM 29 HG LEU A 2 -4.870 6.194 -0.336 1.00 0.00 H +ATOM 30 HD11 LEU A 2 -2.556 6.855 -0.534 1.00 0.00 H +ATOM 31 HD12 LEU A 2 -2.907 7.891 -1.928 1.00 0.00 H +ATOM 32 HD13 LEU A 2 -3.544 8.302 -0.323 1.00 0.00 H +ATOM 33 HD21 LEU A 2 -5.277 8.270 -2.519 1.00 0.00 H +ATOM 34 HD22 LEU A 2 -6.532 7.099 -2.108 1.00 0.00 H +ATOM 35 HD23 LEU A 2 -5.957 8.251 -0.887 1.00 0.00 H +ATOM 36 N TYR A 3 -4.272 3.566 0.214 1.00 0.00 N +ATOM 37 CA TYR A 3 -3.591 2.791 1.257 1.00 0.00 C +ATOM 38 C TYR A 3 -4.035 1.316 1.320 1.00 0.00 C +ATOM 39 O TYR A 3 -3.216 0.439 1.587 1.00 0.00 O +ATOM 40 CB TYR A 3 -3.809 3.489 2.607 1.00 0.00 C +ATOM 41 CG TYR A 3 -2.680 3.265 3.592 1.00 0.00 C +ATOM 42 CD1 TYR A 3 -2.635 2.094 4.373 1.00 0.00 C +ATOM 43 CD2 TYR A 3 -1.676 4.243 3.732 1.00 0.00 C +ATOM 44 CE1 TYR A 3 -1.601 1.916 5.312 1.00 0.00 C +ATOM 45 CE2 TYR A 3 -0.650 4.078 4.679 1.00 0.00 C +ATOM 46 CZ TYR A 3 -0.618 2.916 5.478 1.00 0.00 C +ATOM 47 OH TYR A 3 0.344 2.765 6.428 1.00 0.00 O +ATOM 48 H TYR A 3 -4.793 4.381 0.493 1.00 0.00 H +ATOM 49 HA TYR A 3 -2.522 2.805 1.039 1.00 0.00 H +ATOM 50 HB2 TYR A 3 -3.904 4.544 2.433 1.00 0.00 H +ATOM 51 HB3 TYR A 3 -4.748 3.153 3.047 1.00 0.00 H +ATOM 52 HD1 TYR A 3 -3.397 1.337 4.260 1.00 0.00 H +ATOM 53 HD2 TYR A 3 -1.691 5.139 3.130 1.00 0.00 H +ATOM 54 HE1 TYR A 3 -1.558 1.031 5.929 1.00 0.00 H +ATOM 55 HE2 TYR A 3 0.099 4.851 4.791 1.00 0.00 H +ATOM 56 HH TYR A 3 0.794 3.595 6.593 1.00 0.00 H +ATOM 57 N ILE A 4 -5.312 1.025 1.029 1.00 0.00 N +ATOM 58 CA ILE A 4 -5.855 -0.341 0.979 1.00 0.00 C +ATOM 59 C ILE A 4 -5.188 -1.123 -0.163 1.00 0.00 C +ATOM 60 O ILE A 4 -4.740 -2.254 0.031 1.00 0.00 O +ATOM 61 CB ILE A 4 -7.398 -0.328 0.820 1.00 0.00 C +ATOM 62 CG1 ILE A 4 -8.143 0.621 1.794 1.00 0.00 C +ATOM 63 CG2 ILE A 4 -7.976 -1.749 0.938 1.00 0.00 C +ATOM 64 CD1 ILE A 4 -7.792 0.462 3.281 1.00 0.00 C +ATOM 65 H ILE A 4 -5.901 1.775 0.693 1.00 0.00 H +ATOM 66 HA ILE A 4 -5.609 -0.846 1.915 1.00 0.00 H +ATOM 67 HB ILE A 4 -7.635 0.015 -0.186 1.00 0.00 H +ATOM 68 HG12 ILE A 4 -7.917 1.630 1.508 1.00 0.00 H +ATOM 69 HG13 ILE A 4 -9.215 0.465 1.676 1.00 0.00 H +ATOM 70 HG21 ILE A 4 -7.579 -2.387 0.147 1.00 0.00 H +ATOM 71 HG22 ILE A 4 -7.724 -2.190 1.903 1.00 0.00 H +ATOM 72 HG23 ILE A 4 -9.062 -1.721 0.834 1.00 0.00 H +ATOM 73 HD11 ILE A 4 -7.711 -0.590 3.551 1.00 0.00 H +ATOM 74 HD12 ILE A 4 -6.848 0.965 3.496 1.00 0.00 H +ATOM 75 HD13 ILE A 4 -8.578 0.918 3.885 1.00 0.00 H +ATOM 76 N GLN A 5 -5.075 -0.498 -1.343 1.00 0.00 N +ATOM 77 CA GLN A 5 -4.362 -1.071 -2.489 1.00 0.00 C +ATOM 78 C GLN A 5 -2.867 -1.283 -2.198 1.00 0.00 C +ATOM 79 O GLN A 5 -2.320 -2.311 -2.590 1.00 0.00 O +ATOM 80 CB GLN A 5 -4.555 -0.198 -3.737 1.00 0.00 C +ATOM 81 CG GLN A 5 -5.995 -0.248 -4.266 1.00 0.00 C +ATOM 82 CD GLN A 5 -6.126 0.517 -5.579 1.00 0.00 C +ATOM 83 OE1 GLN A 5 -5.978 -0.031 -6.658 1.00 0.00 O +ATOM 84 NE2 GLN A 5 -6.401 1.806 -5.540 1.00 0.00 N +ATOM 85 H GLN A 5 -5.445 0.441 -1.413 1.00 0.00 H +ATOM 86 HA GLN A 5 -4.782 -2.057 -2.696 1.00 0.00 H +ATOM 87 HB2 GLN A 5 -4.314 0.818 -3.488 1.00 0.00 H +ATOM 88 HB3 GLN A 5 -3.891 -0.565 -4.522 1.00 0.00 H +ATOM 89 HG2 GLN A 5 -6.273 -1.272 -4.428 1.00 0.00 H +ATOM 90 HG3 GLN A 5 -6.680 0.175 -3.530 1.00 0.00 H +ATOM 91 HE21 GLN A 5 -6.520 2.309 -4.682 1.00 0.00 H +ATOM 92 HE22 GLN A 5 -6.457 2.229 -6.452 1.00 0.00 H +ATOM 93 N TRP A 6 -2.207 -0.362 -1.483 1.00 0.00 N +ATOM 94 CA TRP A 6 -0.824 -0.567 -1.033 1.00 0.00 C +ATOM 95 C TRP A 6 -0.685 -1.753 -0.064 1.00 0.00 C +ATOM 96 O TRP A 6 0.203 -2.588 -0.244 1.00 0.00 O +ATOM 97 CB TRP A 6 -0.276 0.722 -0.418 1.00 0.00 C +ATOM 98 CG TRP A 6 1.118 0.612 0.126 1.00 0.00 C +ATOM 99 CD1 TRP A 6 2.254 0.594 -0.609 1.00 0.00 C +ATOM 100 CD2 TRP A 6 1.544 0.501 1.519 1.00 0.00 C +ATOM 101 NE1 TRP A 6 3.347 0.461 0.227 1.00 0.00 N +ATOM 102 CE2 TRP A 6 2.967 0.413 1.548 1.00 0.00 C +ATOM 103 CE3 TRP A 6 0.878 0.488 2.764 1.00 0.00 C +ATOM 104 CZ2 TRP A 6 3.697 0.331 2.741 1.00 0.00 C +ATOM 105 CZ3 TRP A 6 1.600 0.402 3.971 1.00 0.00 C +ATOM 106 CH2 TRP A 6 3.004 0.331 3.961 1.00 0.00 C +ATOM 107 H TRP A 6 -2.689 0.503 -1.249 1.00 0.00 H +ATOM 108 HA TRP A 6 -0.214 -0.807 -1.905 1.00 0.00 H +ATOM 109 HB2 TRP A 6 -0.281 1.482 -1.175 1.00 0.00 H +ATOM 110 HB3 TRP A 6 -0.933 1.043 0.389 1.00 0.00 H +ATOM 111 HD1 TRP A 6 2.293 0.681 -1.686 1.00 0.00 H +ATOM 112 HE1 TRP A 6 4.326 0.458 -0.069 1.00 0.00 H +ATOM 113 HE3 TRP A 6 -0.200 0.564 2.787 1.00 0.00 H +ATOM 114 HZ2 TRP A 6 4.776 0.281 2.705 1.00 0.00 H +ATOM 115 HZ3 TRP A 6 1.071 0.411 4.914 1.00 0.00 H +ATOM 116 HH2 TRP A 6 3.548 0.291 4.893 1.00 0.00 H +ATOM 117 N LEU A 7 -1.580 -1.874 0.927 1.00 0.00 N +ATOM 118 CA LEU A 7 -1.599 -3.031 1.829 1.00 0.00 C +ATOM 119 C LEU A 7 -1.786 -4.356 1.073 1.00 0.00 C +ATOM 120 O LEU A 7 -1.124 -5.333 1.422 1.00 0.00 O +ATOM 121 CB LEU A 7 -2.674 -2.852 2.916 1.00 0.00 C +ATOM 122 CG LEU A 7 -2.324 -1.798 3.986 1.00 0.00 C +ATOM 123 CD1 LEU A 7 -3.552 -1.544 4.867 1.00 0.00 C +ATOM 124 CD2 LEU A 7 -1.168 -2.243 4.890 1.00 0.00 C +ATOM 125 H LEU A 7 -2.270 -1.136 1.054 1.00 0.00 H +ATOM 126 HA LEU A 7 -0.625 -3.099 2.308 1.00 0.00 H +ATOM 127 HB2 LEU A 7 -3.588 -2.556 2.439 1.00 0.00 H +ATOM 128 HB3 LEU A 7 -2.827 -3.808 3.419 1.00 0.00 H +ATOM 129 HG LEU A 7 -2.045 -0.863 3.506 1.00 0.00 H +ATOM 130 HD11 LEU A 7 -4.374 -1.176 4.252 1.00 0.00 H +ATOM 131 HD12 LEU A 7 -3.856 -2.467 5.361 1.00 0.00 H +ATOM 132 HD13 LEU A 7 -3.318 -0.796 5.624 1.00 0.00 H +ATOM 133 HD21 LEU A 7 -1.414 -3.187 5.378 1.00 0.00 H +ATOM 134 HD22 LEU A 7 -0.257 -2.363 4.309 1.00 0.00 H +ATOM 135 HD23 LEU A 7 -0.985 -1.485 5.652 1.00 0.00 H +ATOM 136 N LYS A 8 -2.609 -4.385 0.009 1.00 0.00 N +ATOM 137 CA LYS A 8 -2.835 -5.565 -0.847 1.00 0.00 C +ATOM 138 C LYS A 8 -1.558 -6.137 -1.482 1.00 0.00 C +ATOM 139 O LYS A 8 -1.510 -7.335 -1.746 1.00 0.00 O +ATOM 140 CB LYS A 8 -3.872 -5.210 -1.927 1.00 0.00 C +ATOM 141 CG LYS A 8 -4.472 -6.419 -2.672 1.00 0.00 C +ATOM 142 CD LYS A 8 -3.967 -6.562 -4.118 1.00 0.00 C +ATOM 143 CE LYS A 8 -4.912 -7.488 -4.895 1.00 0.00 C +ATOM 144 NZ LYS A 8 -4.381 -7.814 -6.240 1.00 0.00 N +ATOM 145 H LYS A 8 -3.146 -3.541 -0.174 1.00 0.00 H +ATOM 146 HA LYS A 8 -3.247 -6.357 -0.218 1.00 0.00 H +ATOM 147 HB2 LYS A 8 -4.675 -4.677 -1.456 1.00 0.00 H +ATOM 148 HB3 LYS A 8 -3.417 -4.531 -2.647 1.00 0.00 H +ATOM 149 HG2 LYS A 8 -4.216 -7.311 -2.133 1.00 0.00 H +ATOM 150 HG3 LYS A 8 -5.554 -6.284 -2.697 1.00 0.00 H +ATOM 151 HD2 LYS A 8 -3.944 -5.597 -4.587 1.00 0.00 H +ATOM 152 HD3 LYS A 8 -2.954 -6.968 -4.111 1.00 0.00 H +ATOM 153 HE2 LYS A 8 -5.039 -8.398 -4.342 1.00 0.00 H +ATOM 154 HE3 LYS A 8 -5.879 -6.986 -4.990 1.00 0.00 H +ATOM 155 HZ1 LYS A 8 -4.156 -6.967 -6.745 1.00 0.00 H +ATOM 156 HZ2 LYS A 8 -3.540 -8.372 -6.153 1.00 0.00 H +ATOM 157 HZ3 LYS A 8 -5.066 -8.339 -6.770 1.00 0.00 H +ATOM 158 N ASP A 9 -0.531 -5.310 -1.709 1.00 0.00 N +ATOM 159 CA ASP A 9 0.782 -5.753 -2.199 1.00 0.00 C +ATOM 160 C ASP A 9 1.608 -6.478 -1.111 1.00 0.00 C +ATOM 161 O ASP A 9 2.514 -7.238 -1.445 1.00 0.00 O +ATOM 162 CB ASP A 9 1.552 -4.536 -2.756 1.00 0.00 C +ATOM 163 CG ASP A 9 2.243 -4.819 -4.098 1.00 0.00 C +ATOM 164 OD1 ASP A 9 1.520 -4.894 -5.114 1.00 0.00 O +ATOM 165 OD2 ASP A 9 3.496 -4.834 -4.151 1.00 0.00 O +ATOM 166 H ASP A 9 -0.652 -4.327 -1.493 1.00 0.00 H +ATOM 167 HA ASP A 9 0.624 -6.460 -3.016 1.00 0.00 H +ATOM 168 HB2 ASP A 9 0.860 -3.728 -2.893 1.00 0.00 H +ATOM 169 HB3 ASP A 9 2.281 -4.194 -2.021 1.00 0.00 H +ATOM 170 N GLY A 10 1.277 -6.270 0.176 1.00 0.00 N +ATOM 171 CA GLY A 10 2.025 -6.755 1.345 1.00 0.00 C +ATOM 172 C GLY A 10 2.511 -5.652 2.302 1.00 0.00 C +ATOM 173 O GLY A 10 3.330 -5.927 3.184 1.00 0.00 O +ATOM 174 H GLY A 10 0.421 -5.751 0.355 1.00 0.00 H +ATOM 175 HA2 GLY A 10 1.382 -7.428 1.912 1.00 0.00 H +ATOM 176 HA3 GLY A 10 2.898 -7.318 1.016 1.00 0.00 H +ATOM 177 N GLY A 11 2.061 -4.397 2.131 1.00 0.00 N +ATOM 178 CA GLY A 11 2.503 -3.261 2.946 1.00 0.00 C +ATOM 179 C GLY A 11 4.031 -3.074 2.887 1.00 0.00 C +ATOM 180 O GLY A 11 4.595 -3.162 1.791 1.00 0.00 O +ATOM 181 H GLY A 11 1.442 -4.219 1.351 1.00 0.00 H +ATOM 182 HA2 GLY A 11 2.030 -2.351 2.579 1.00 0.00 H +ATOM 183 HA3 GLY A 11 2.173 -3.433 3.969 1.00 0.00 H +ATOM 184 N PRO A 12 4.729 -2.844 4.022 1.00 0.00 N +ATOM 185 CA PRO A 12 6.186 -2.657 4.057 1.00 0.00 C +ATOM 186 C PRO A 12 7.000 -3.804 3.440 1.00 0.00 C +ATOM 187 O PRO A 12 8.098 -3.571 2.938 1.00 0.00 O +ATOM 188 CB PRO A 12 6.560 -2.503 5.537 1.00 0.00 C +ATOM 189 CG PRO A 12 5.258 -2.091 6.219 1.00 0.00 C +ATOM 190 CD PRO A 12 4.187 -2.773 5.373 1.00 0.00 C +ATOM 191 HA PRO A 12 6.428 -1.733 3.531 1.00 0.00 H +ATOM 192 HB2 PRO A 12 6.920 -3.432 5.936 1.00 0.00 H +ATOM 193 HB3 PRO A 12 7.339 -1.752 5.678 1.00 0.00 H +ATOM 194 HG2 PRO A 12 5.228 -2.441 7.233 1.00 0.00 H +ATOM 195 HG3 PRO A 12 5.143 -1.008 6.161 1.00 0.00 H +ATOM 196 HD2 PRO A 12 3.987 -3.759 5.747 1.00 0.00 H +ATOM 197 HD3 PRO A 12 3.262 -2.198 5.412 1.00 0.00 H +ATOM 198 N SER A 13 6.470 -5.035 3.441 1.00 0.00 N +ATOM 199 CA SER A 13 7.162 -6.235 2.936 1.00 0.00 C +ATOM 200 C SER A 13 7.153 -6.352 1.402 1.00 0.00 C +ATOM 201 O SER A 13 7.495 -7.398 0.861 1.00 0.00 O +ATOM 202 CB SER A 13 6.574 -7.490 3.595 1.00 0.00 C +ATOM 203 OG SER A 13 6.813 -7.451 4.988 1.00 0.00 O +ATOM 204 H SER A 13 5.505 -5.137 3.737 1.00 0.00 H +ATOM 205 HA SER A 13 8.211 -6.179 3.232 1.00 0.00 H +ATOM 206 HB2 SER A 13 5.517 -7.526 3.415 1.00 0.00 H +ATOM 207 HB3 SER A 13 7.054 -8.380 3.187 1.00 0.00 H +ATOM 208 HG SER A 13 6.443 -6.640 5.343 1.00 0.00 H +ATOM 209 N SER A 14 6.767 -5.279 0.701 1.00 0.00 N +ATOM 210 CA SER A 14 6.504 -5.245 -0.744 1.00 0.00 C +ATOM 211 C SER A 14 7.583 -4.513 -1.556 1.00 0.00 C +ATOM 212 O SER A 14 7.477 -4.434 -2.776 1.00 0.00 O +ATOM 213 CB SER A 14 5.171 -4.534 -0.999 1.00 0.00 C +ATOM 214 OG SER A 14 4.177 -4.877 -0.070 1.00 0.00 O +ATOM 215 H SER A 14 6.484 -4.475 1.245 1.00 0.00 H +ATOM 216 HA SER A 14 6.420 -6.264 -1.123 1.00 0.00 H +ATOM 217 HB2 SER A 14 5.334 -3.475 -0.949 1.00 0.00 H +ATOM 218 HB3 SER A 14 4.831 -4.746 -2.011 1.00 0.00 H +ATOM 219 HG SER A 14 4.259 -4.235 0.675 1.00 0.00 H +ATOM 220 N GLY A 15 8.589 -3.916 -0.899 1.00 0.00 N +ATOM 221 CA GLY A 15 9.628 -3.120 -1.568 1.00 0.00 C +ATOM 222 C GLY A 15 9.147 -1.769 -2.127 1.00 0.00 C +ATOM 223 O GLY A 15 9.811 -1.210 -2.995 1.00 0.00 O +ATOM 224 H GLY A 15 8.637 -4.053 0.102 1.00 0.00 H +ATOM 225 HA2 GLY A 15 10.434 -2.923 -0.862 1.00 0.00 H +ATOM 226 HA3 GLY A 15 10.042 -3.698 -2.394 1.00 0.00 H +ATOM 227 N ARG A 16 8.006 -1.245 -1.647 1.00 0.00 N +ATOM 228 CA ARG A 16 7.372 -0.003 -2.121 1.00 0.00 C +ATOM 229 C ARG A 16 6.899 0.883 -0.950 1.00 0.00 C +ATOM 230 O ARG A 16 6.250 0.369 -0.033 1.00 0.00 O +ATOM 231 CB ARG A 16 6.209 -0.320 -3.084 1.00 0.00 C +ATOM 232 CG ARG A 16 5.215 -1.352 -2.526 1.00 0.00 C +ATOM 233 CD ARG A 16 3.904 -1.443 -3.304 1.00 0.00 C +ATOM 234 NE ARG A 16 4.061 -2.274 -4.499 1.00 0.00 N +ATOM 235 CZ ARG A 16 3.904 -1.985 -5.776 1.00 0.00 C +ATOM 236 NH1 ARG A 16 3.635 -0.767 -6.189 1.00 0.00 N +ATOM 237 NH2 ARG A 16 4.003 -2.954 -6.651 1.00 0.00 N +ATOM 238 H ARG A 16 7.548 -1.757 -0.908 1.00 0.00 H +ATOM 239 HA ARG A 16 8.120 0.548 -2.691 1.00 0.00 H +ATOM 240 HB2 ARG A 16 5.677 0.590 -3.285 1.00 0.00 H +ATOM 241 HB3 ARG A 16 6.620 -0.712 -4.017 1.00 0.00 H +ATOM 242 HG2 ARG A 16 5.685 -2.316 -2.545 1.00 0.00 H +ATOM 243 HG3 ARG A 16 4.960 -1.114 -1.497 1.00 0.00 H +ATOM 244 HD2 ARG A 16 3.151 -1.874 -2.673 1.00 0.00 H +ATOM 245 HD3 ARG A 16 3.536 -0.446 -3.542 1.00 0.00 H +ATOM 246 HE ARG A 16 4.127 -3.284 -4.320 1.00 0.00 H +ATOM 247 HH11 ARG A 16 3.507 -0.060 -5.490 1.00 0.00 H +ATOM 248 HH12 ARG A 16 3.473 -0.577 -7.160 1.00 0.00 H +ATOM 249 HH21 ARG A 16 4.040 -3.895 -6.271 1.00 0.00 H +ATOM 250 HH22 ARG A 16 3.899 -2.795 -7.633 1.00 0.00 H +ATOM 251 N PRO A 17 7.166 2.205 -0.969 1.00 0.00 N +ATOM 252 CA PRO A 17 6.727 3.117 0.088 1.00 0.00 C +ATOM 253 C PRO A 17 5.195 3.304 0.088 1.00 0.00 C +ATOM 254 O PRO A 17 4.551 3.043 -0.934 1.00 0.00 O +ATOM 255 CB PRO A 17 7.460 4.433 -0.196 1.00 0.00 C +ATOM 256 CG PRO A 17 7.647 4.418 -1.712 1.00 0.00 C +ATOM 257 CD PRO A 17 7.865 2.938 -2.017 1.00 0.00 C +ATOM 258 HA PRO A 17 7.042 2.728 1.057 1.00 0.00 H +ATOM 259 HB2 PRO A 17 6.869 5.275 0.109 1.00 0.00 H +ATOM 260 HB3 PRO A 17 8.437 4.415 0.288 1.00 0.00 H +ATOM 261 HG2 PRO A 17 6.774 4.790 -2.212 1.00 0.00 H +ATOM 262 HG3 PRO A 17 8.499 5.023 -2.023 1.00 0.00 H +ATOM 263 HD2 PRO A 17 7.459 2.692 -2.979 1.00 0.00 H +ATOM 264 HD3 PRO A 17 8.930 2.705 -1.974 1.00 0.00 H +ATOM 265 N PRO A 18 4.598 3.763 1.206 1.00 0.00 N +ATOM 266 CA PRO A 18 3.160 4.002 1.296 1.00 0.00 C +ATOM 267 C PRO A 18 2.723 5.223 0.459 1.00 0.00 C +ATOM 268 O PRO A 18 3.486 6.180 0.323 1.00 0.00 O +ATOM 269 CB PRO A 18 2.870 4.209 2.786 1.00 0.00 C +ATOM 270 CG PRO A 18 4.187 4.765 3.327 1.00 0.00 C +ATOM 271 CD PRO A 18 5.239 4.048 2.482 1.00 0.00 C +ATOM 272 HA PRO A 18 2.639 3.111 0.954 1.00 0.00 H +ATOM 273 HB2 PRO A 18 2.070 4.910 2.928 1.00 0.00 H +ATOM 274 HB3 PRO A 18 2.665 3.246 3.253 1.00 0.00 H +ATOM 275 HG2 PRO A 18 4.242 5.828 3.190 1.00 0.00 H +ATOM 276 HG3 PRO A 18 4.310 4.556 4.389 1.00 0.00 H +ATOM 277 HD2 PRO A 18 6.095 4.679 2.337 1.00 0.00 H +ATOM 278 HD3 PRO A 18 5.518 3.109 2.962 1.00 0.00 H +ATOM 279 N PRO A 19 1.487 5.223 -0.081 1.00 0.00 N +ATOM 280 CA PRO A 19 0.954 6.306 -0.911 1.00 0.00 C +ATOM 281 C PRO A 19 0.318 7.463 -0.116 1.00 0.00 C +ATOM 282 O PRO A 19 -0.042 8.473 -0.718 1.00 0.00 O +ATOM 283 CB PRO A 19 -0.097 5.617 -1.786 1.00 0.00 C +ATOM 284 CG PRO A 19 -0.667 4.552 -0.849 1.00 0.00 C +ATOM 285 CD PRO A 19 0.572 4.092 -0.088 1.00 0.00 C +ATOM 286 HA PRO A 19 1.738 6.719 -1.548 1.00 0.00 H +ATOM 287 HB2 PRO A 19 -0.857 6.308 -2.094 1.00 0.00 H +ATOM 288 HB3 PRO A 19 0.396 5.133 -2.632 1.00 0.00 H +ATOM 289 HG2 PRO A 19 -1.398 4.970 -0.184 1.00 0.00 H +ATOM 290 HG3 PRO A 19 -1.129 3.736 -1.404 1.00 0.00 H +ATOM 291 HD2 PRO A 19 0.311 3.818 0.916 1.00 0.00 H +ATOM 292 HD3 PRO A 19 1.042 3.271 -0.628 1.00 0.00 H +ATOM 293 N SER A 20 0.154 7.315 1.206 1.00 0.00 N +ATOM 294 CA SER A 20 -0.381 8.320 2.134 1.00 0.00 C +ATOM 295 C SER A 20 0.429 8.296 3.426 1.00 0.00 C +ATOM 296 O SER A 20 0.669 7.163 3.906 1.00 0.00 O +ATOM 297 CB SER A 20 -1.858 8.039 2.425 1.00 0.00 C +ATOM 298 OG SER A 20 -2.535 9.236 2.730 1.00 0.00 O +ATOM 299 OXT SER A 20 0.789 9.398 3.882 1.00 0.00 O +ATOM 300 H SER A 20 0.527 6.490 1.654 1.00 0.00 H +ATOM 301 HA SER A 20 -0.263 9.307 1.688 1.00 0.00 H +ATOM 302 HB2 SER A 20 -2.309 7.588 1.562 1.00 0.00 H +ATOM 303 HB3 SER A 20 -1.945 7.348 3.266 1.00 0.00 H +ATOM 304 HG SER A 20 -1.973 9.971 2.469 1.00 0.00 H +TER 305 SER A 20 +ENDMDL +MODEL 9 +ATOM 1 N ASN A 1 -6.355 7.914 0.576 1.00 0.00 N +ATOM 2 CA ASN A 1 -6.778 6.858 -0.378 1.00 0.00 C +ATOM 3 C ASN A 1 -5.549 6.028 -0.782 1.00 0.00 C +ATOM 4 O ASN A 1 -4.530 6.178 -0.119 1.00 0.00 O +ATOM 5 CB ASN A 1 -7.563 7.460 -1.562 1.00 0.00 C +ATOM 6 CG ASN A 1 -8.448 6.400 -2.211 1.00 0.00 C +ATOM 7 OD1 ASN A 1 -8.022 5.688 -3.104 1.00 0.00 O +ATOM 8 ND2 ASN A 1 -9.658 6.188 -1.730 1.00 0.00 N +ATOM 9 H1 ASN A 1 -5.830 7.486 1.328 1.00 0.00 H +ATOM 10 H2 ASN A 1 -5.742 8.573 0.115 1.00 0.00 H +ATOM 11 H3 ASN A 1 -7.157 8.399 0.955 1.00 0.00 H +ATOM 12 HA ASN A 1 -7.452 6.182 0.150 1.00 0.00 H +ATOM 13 HB2 ASN A 1 -8.178 8.264 -1.206 1.00 0.00 H +ATOM 14 HB3 ASN A 1 -6.872 7.865 -2.304 1.00 0.00 H +ATOM 15 HD21 ASN A 1 -10.087 6.731 -1.001 1.00 0.00 H +ATOM 16 HD22 ASN A 1 -10.166 5.465 -2.217 1.00 0.00 H +ATOM 17 N LEU A 2 -5.630 5.135 -1.783 1.00 0.00 N +ATOM 18 CA LEU A 2 -4.587 4.213 -2.289 1.00 0.00 C +ATOM 19 C LEU A 2 -3.962 3.229 -1.269 1.00 0.00 C +ATOM 20 O LEU A 2 -3.407 2.204 -1.668 1.00 0.00 O +ATOM 21 CB LEU A 2 -3.510 5.015 -3.058 1.00 0.00 C +ATOM 22 CG LEU A 2 -3.772 5.277 -4.555 1.00 0.00 C +ATOM 23 CD1 LEU A 2 -3.748 3.980 -5.372 1.00 0.00 C +ATOM 24 CD2 LEU A 2 -5.076 6.028 -4.834 1.00 0.00 C +ATOM 25 H LEU A 2 -6.497 5.119 -2.318 1.00 0.00 H +ATOM 26 HA LEU A 2 -5.078 3.561 -3.012 1.00 0.00 H +ATOM 27 HB2 LEU A 2 -3.409 5.968 -2.575 1.00 0.00 H +ATOM 28 HB3 LEU A 2 -2.567 4.475 -3.000 1.00 0.00 H +ATOM 29 HG LEU A 2 -2.952 5.903 -4.913 1.00 0.00 H +ATOM 30 HD11 LEU A 2 -2.862 3.397 -5.120 1.00 0.00 H +ATOM 31 HD12 LEU A 2 -4.638 3.385 -5.182 1.00 0.00 H +ATOM 32 HD13 LEU A 2 -3.712 4.225 -6.435 1.00 0.00 H +ATOM 33 HD21 LEU A 2 -5.932 5.392 -4.613 1.00 0.00 H +ATOM 34 HD22 LEU A 2 -5.123 6.933 -4.230 1.00 0.00 H +ATOM 35 HD23 LEU A 2 -5.117 6.307 -5.887 1.00 0.00 H +ATOM 36 N TYR A 3 -4.092 3.484 0.034 1.00 0.00 N +ATOM 37 CA TYR A 3 -3.507 2.707 1.123 1.00 0.00 C +ATOM 38 C TYR A 3 -3.985 1.247 1.144 1.00 0.00 C +ATOM 39 O TYR A 3 -3.180 0.347 1.372 1.00 0.00 O +ATOM 40 CB TYR A 3 -3.807 3.419 2.451 1.00 0.00 C +ATOM 41 CG TYR A 3 -2.696 3.269 3.468 1.00 0.00 C +ATOM 42 CD1 TYR A 3 -2.590 2.095 4.240 1.00 0.00 C +ATOM 43 CD2 TYR A 3 -1.753 4.303 3.625 1.00 0.00 C +ATOM 44 CE1 TYR A 3 -1.550 1.959 5.180 1.00 0.00 C +ATOM 45 CE2 TYR A 3 -0.711 4.172 4.561 1.00 0.00 C +ATOM 46 CZ TYR A 3 -0.611 3.005 5.344 1.00 0.00 C +ATOM 47 OH TYR A 3 0.374 2.911 6.276 1.00 0.00 O +ATOM 48 H TYR A 3 -4.425 4.414 0.259 1.00 0.00 H +ATOM 49 HA TYR A 3 -2.425 2.700 0.981 1.00 0.00 H +ATOM 50 HB2 TYR A 3 -3.951 4.464 2.254 1.00 0.00 H +ATOM 51 HB3 TYR A 3 -4.742 3.045 2.871 1.00 0.00 H +ATOM 52 HD1 TYR A 3 -3.308 1.299 4.106 1.00 0.00 H +ATOM 53 HD2 TYR A 3 -1.821 5.207 3.034 1.00 0.00 H +ATOM 54 HE1 TYR A 3 -1.462 1.059 5.769 1.00 0.00 H +ATOM 55 HE2 TYR A 3 0.006 4.966 4.698 1.00 0.00 H +ATOM 56 HH TYR A 3 0.027 2.663 7.133 1.00 0.00 H +ATOM 57 N ILE A 4 -5.271 0.998 0.853 1.00 0.00 N +ATOM 58 CA ILE A 4 -5.839 -0.354 0.750 1.00 0.00 C +ATOM 59 C ILE A 4 -5.129 -1.160 -0.354 1.00 0.00 C +ATOM 60 O ILE A 4 -4.715 -2.294 -0.121 1.00 0.00 O +ATOM 61 CB ILE A 4 -7.375 -0.317 0.526 1.00 0.00 C +ATOM 62 CG1 ILE A 4 -8.137 0.556 1.557 1.00 0.00 C +ATOM 63 CG2 ILE A 4 -7.940 -1.748 0.590 1.00 0.00 C +ATOM 64 CD1 ILE A 4 -8.425 1.981 1.063 1.00 0.00 C +ATOM 65 H ILE A 4 -5.872 1.793 0.698 1.00 0.00 H +ATOM 66 HA ILE A 4 -5.651 -0.867 1.695 1.00 0.00 H +ATOM 67 HB ILE A 4 -7.576 0.069 -0.474 1.00 0.00 H +ATOM 68 HG12 ILE A 4 -9.072 0.079 1.780 1.00 0.00 H +ATOM 69 HG13 ILE A 4 -7.585 0.601 2.497 1.00 0.00 H +ATOM 70 HG21 ILE A 4 -7.504 -2.371 -0.192 1.00 0.00 H +ATOM 71 HG22 ILE A 4 -7.727 -2.194 1.563 1.00 0.00 H +ATOM 72 HG23 ILE A 4 -9.020 -1.731 0.437 1.00 0.00 H +ATOM 73 HD11 ILE A 4 -7.512 2.575 1.038 1.00 0.00 H +ATOM 74 HD12 ILE A 4 -8.867 1.949 0.066 1.00 0.00 H +ATOM 75 HD13 ILE A 4 -9.137 2.458 1.739 1.00 0.00 H +ATOM 76 N GLN A 5 -4.949 -0.564 -1.544 1.00 0.00 N +ATOM 77 CA GLN A 5 -4.210 -1.179 -2.650 1.00 0.00 C +ATOM 78 C GLN A 5 -2.730 -1.412 -2.309 1.00 0.00 C +ATOM 79 O GLN A 5 -2.180 -2.447 -2.679 1.00 0.00 O +ATOM 80 CB GLN A 5 -4.326 -0.333 -3.929 1.00 0.00 C +ATOM 81 CG GLN A 5 -5.654 -0.555 -4.672 1.00 0.00 C +ATOM 82 CD GLN A 5 -5.597 0.001 -6.097 1.00 0.00 C +ATOM 83 OE1 GLN A 5 -4.724 -0.323 -6.881 1.00 0.00 O +ATOM 84 NE2 GLN A 5 -6.527 0.846 -6.499 1.00 0.00 N +ATOM 85 H GLN A 5 -5.256 0.391 -1.646 1.00 0.00 H +ATOM 86 HA GLN A 5 -4.639 -2.162 -2.849 1.00 0.00 H +ATOM 87 HB2 GLN A 5 -4.251 0.704 -3.662 1.00 0.00 H +ATOM 88 HB3 GLN A 5 -3.512 -0.622 -4.596 1.00 0.00 H +ATOM 89 HG2 GLN A 5 -5.858 -1.608 -4.716 1.00 0.00 H +ATOM 90 HG3 GLN A 5 -6.466 -0.086 -4.117 1.00 0.00 H +ATOM 91 HE21 GLN A 5 -7.297 1.142 -5.929 1.00 0.00 H +ATOM 92 HE22 GLN A 5 -6.409 1.126 -7.459 1.00 0.00 H +ATOM 93 N TRP A 6 -2.081 -0.492 -1.584 1.00 0.00 N +ATOM 94 CA TRP A 6 -0.717 -0.712 -1.094 1.00 0.00 C +ATOM 95 C TRP A 6 -0.634 -1.871 -0.083 1.00 0.00 C +ATOM 96 O TRP A 6 0.235 -2.738 -0.203 1.00 0.00 O +ATOM 97 CB TRP A 6 -0.168 0.595 -0.511 1.00 0.00 C +ATOM 98 CG TRP A 6 1.222 0.490 0.032 1.00 0.00 C +ATOM 99 CD1 TRP A 6 2.356 0.444 -0.705 1.00 0.00 C +ATOM 100 CD2 TRP A 6 1.648 0.375 1.425 1.00 0.00 C +ATOM 101 NE1 TRP A 6 3.446 0.307 0.129 1.00 0.00 N +ATOM 102 CE2 TRP A 6 3.068 0.266 1.450 1.00 0.00 C +ATOM 103 CE3 TRP A 6 0.980 0.360 2.668 1.00 0.00 C +ATOM 104 CZ2 TRP A 6 3.796 0.163 2.643 1.00 0.00 C +ATOM 105 CZ3 TRP A 6 1.699 0.248 3.874 1.00 0.00 C +ATOM 106 CH2 TRP A 6 3.103 0.153 3.864 1.00 0.00 C +ATOM 107 H TRP A 6 -2.567 0.373 -1.361 1.00 0.00 H +ATOM 108 HA TRP A 6 -0.089 -0.993 -1.940 1.00 0.00 H +ATOM 109 HB2 TRP A 6 -0.171 1.336 -1.287 1.00 0.00 H +ATOM 110 HB3 TRP A 6 -0.824 0.933 0.292 1.00 0.00 H +ATOM 111 HD1 TRP A 6 2.407 0.492 -1.782 1.00 0.00 H +ATOM 112 HE1 TRP A 6 4.421 0.258 -0.183 1.00 0.00 H +ATOM 113 HE3 TRP A 6 -0.097 0.448 2.689 1.00 0.00 H +ATOM 114 HZ2 TRP A 6 4.873 0.086 2.605 1.00 0.00 H +ATOM 115 HZ3 TRP A 6 1.170 0.248 4.818 1.00 0.00 H +ATOM 116 HH2 TRP A 6 3.648 0.079 4.793 1.00 0.00 H +ATOM 117 N LEU A 7 -1.559 -1.927 0.884 1.00 0.00 N +ATOM 118 CA LEU A 7 -1.650 -3.030 1.843 1.00 0.00 C +ATOM 119 C LEU A 7 -1.902 -4.384 1.166 1.00 0.00 C +ATOM 120 O LEU A 7 -1.269 -5.361 1.560 1.00 0.00 O +ATOM 121 CB LEU A 7 -2.733 -2.741 2.896 1.00 0.00 C +ATOM 122 CG LEU A 7 -2.320 -1.710 3.964 1.00 0.00 C +ATOM 123 CD1 LEU A 7 -3.516 -1.453 4.886 1.00 0.00 C +ATOM 124 CD2 LEU A 7 -1.139 -2.196 4.813 1.00 0.00 C +ATOM 125 H LEU A 7 -2.231 -1.165 0.952 1.00 0.00 H +ATOM 126 HA LEU A 7 -0.687 -3.126 2.344 1.00 0.00 H +ATOM 127 HB2 LEU A 7 -3.603 -2.370 2.390 1.00 0.00 H +ATOM 128 HB3 LEU A 7 -2.981 -3.673 3.405 1.00 0.00 H +ATOM 129 HG LEU A 7 -2.041 -0.773 3.487 1.00 0.00 H +ATOM 130 HD11 LEU A 7 -4.353 -1.069 4.302 1.00 0.00 H +ATOM 131 HD12 LEU A 7 -3.815 -2.379 5.378 1.00 0.00 H +ATOM 132 HD13 LEU A 7 -3.251 -0.717 5.645 1.00 0.00 H +ATOM 133 HD21 LEU A 7 -1.303 -3.225 5.133 1.00 0.00 H +ATOM 134 HD22 LEU A 7 -0.219 -2.141 4.234 1.00 0.00 H +ATOM 135 HD23 LEU A 7 -1.022 -1.564 5.694 1.00 0.00 H +ATOM 136 N LYS A 8 -2.764 -4.435 0.137 1.00 0.00 N +ATOM 137 CA LYS A 8 -3.064 -5.639 -0.660 1.00 0.00 C +ATOM 138 C LYS A 8 -1.824 -6.358 -1.202 1.00 0.00 C +ATOM 139 O LYS A 8 -1.858 -7.580 -1.310 1.00 0.00 O +ATOM 140 CB LYS A 8 -3.983 -5.265 -1.837 1.00 0.00 C +ATOM 141 CG LYS A 8 -5.484 -5.361 -1.533 1.00 0.00 C +ATOM 142 CD LYS A 8 -5.970 -6.821 -1.519 1.00 0.00 C +ATOM 143 CE LYS A 8 -7.373 -6.934 -2.133 1.00 0.00 C +ATOM 144 NZ LYS A 8 -7.546 -8.214 -2.860 1.00 0.00 N +ATOM 145 H LYS A 8 -3.276 -3.581 -0.075 1.00 0.00 H +ATOM 146 HA LYS A 8 -3.567 -6.365 -0.022 1.00 0.00 H +ATOM 147 HB2 LYS A 8 -3.764 -4.255 -2.124 1.00 0.00 H +ATOM 148 HB3 LYS A 8 -3.765 -5.907 -2.694 1.00 0.00 H +ATOM 149 HG2 LYS A 8 -5.673 -4.922 -0.572 1.00 0.00 H +ATOM 150 HG3 LYS A 8 -6.001 -4.816 -2.323 1.00 0.00 H +ATOM 151 HD2 LYS A 8 -5.288 -7.424 -2.086 1.00 0.00 H +ATOM 152 HD3 LYS A 8 -5.982 -7.196 -0.493 1.00 0.00 H +ATOM 153 HE2 LYS A 8 -8.103 -6.877 -1.348 1.00 0.00 H +ATOM 154 HE3 LYS A 8 -7.516 -6.106 -2.833 1.00 0.00 H +ATOM 155 HZ1 LYS A 8 -6.850 -8.287 -3.593 1.00 0.00 H +ATOM 156 HZ2 LYS A 8 -7.431 -8.996 -2.230 1.00 0.00 H +ATOM 157 HZ3 LYS A 8 -8.463 -8.259 -3.283 1.00 0.00 H +ATOM 158 N ASP A 9 -0.763 -5.623 -1.552 1.00 0.00 N +ATOM 159 CA ASP A 9 0.496 -6.197 -2.043 1.00 0.00 C +ATOM 160 C ASP A 9 1.282 -6.902 -0.920 1.00 0.00 C +ATOM 161 O ASP A 9 1.817 -7.991 -1.121 1.00 0.00 O +ATOM 162 CB ASP A 9 1.321 -5.072 -2.691 1.00 0.00 C +ATOM 163 CG ASP A 9 2.292 -5.605 -3.748 1.00 0.00 C +ATOM 164 OD1 ASP A 9 3.441 -5.927 -3.382 1.00 0.00 O +ATOM 165 OD2 ASP A 9 1.868 -5.659 -4.923 1.00 0.00 O +ATOM 166 H ASP A 9 -0.837 -4.618 -1.476 1.00 0.00 H +ATOM 167 HA ASP A 9 0.265 -6.940 -2.810 1.00 0.00 H +ATOM 168 HB2 ASP A 9 0.651 -4.376 -3.157 1.00 0.00 H +ATOM 169 HB3 ASP A 9 1.866 -4.522 -1.921 1.00 0.00 H +ATOM 170 N GLY A 10 1.295 -6.304 0.280 1.00 0.00 N +ATOM 171 CA GLY A 10 2.040 -6.794 1.445 1.00 0.00 C +ATOM 172 C GLY A 10 2.489 -5.723 2.455 1.00 0.00 C +ATOM 173 O GLY A 10 3.314 -6.013 3.317 1.00 0.00 O +ATOM 174 H GLY A 10 0.707 -5.487 0.357 1.00 0.00 H +ATOM 175 HA2 GLY A 10 1.418 -7.514 1.975 1.00 0.00 H +ATOM 176 HA3 GLY A 10 2.937 -7.314 1.102 1.00 0.00 H +ATOM 177 N GLY A 11 1.982 -4.483 2.376 1.00 0.00 N +ATOM 178 CA GLY A 11 2.428 -3.400 3.257 1.00 0.00 C +ATOM 179 C GLY A 11 3.939 -3.116 3.122 1.00 0.00 C +ATOM 180 O GLY A 11 4.431 -3.017 1.996 1.00 0.00 O +ATOM 181 H GLY A 11 1.270 -4.287 1.690 1.00 0.00 H +ATOM 182 HA2 GLY A 11 1.885 -2.490 3.006 1.00 0.00 H +ATOM 183 HA3 GLY A 11 2.184 -3.679 4.281 1.00 0.00 H +ATOM 184 N PRO A 12 4.698 -2.946 4.226 1.00 0.00 N +ATOM 185 CA PRO A 12 6.130 -2.631 4.172 1.00 0.00 C +ATOM 186 C PRO A 12 7.010 -3.666 3.454 1.00 0.00 C +ATOM 187 O PRO A 12 8.063 -3.297 2.936 1.00 0.00 O +ATOM 188 CB PRO A 12 6.588 -2.475 5.628 1.00 0.00 C +ATOM 189 CG PRO A 12 5.303 -2.191 6.399 1.00 0.00 C +ATOM 190 CD PRO A 12 4.243 -2.957 5.611 1.00 0.00 C +ATOM 191 HA PRO A 12 6.248 -1.673 3.664 1.00 0.00 H +ATOM 192 HB2 PRO A 12 7.051 -3.377 5.980 1.00 0.00 H +ATOM 193 HB3 PRO A 12 7.305 -1.661 5.732 1.00 0.00 H +ATOM 194 HG2 PRO A 12 5.371 -2.555 7.406 1.00 0.00 H +ATOM 195 HG3 PRO A 12 5.086 -1.123 6.366 1.00 0.00 H +ATOM 196 HD2 PRO A 12 4.164 -3.965 5.971 1.00 0.00 H +ATOM 197 HD3 PRO A 12 3.275 -2.469 5.727 1.00 0.00 H +ATOM 198 N SER A 13 6.616 -4.948 3.398 1.00 0.00 N +ATOM 199 CA SER A 13 7.425 -6.010 2.779 1.00 0.00 C +ATOM 200 C SER A 13 7.282 -6.083 1.247 1.00 0.00 C +ATOM 201 O SER A 13 7.825 -6.993 0.624 1.00 0.00 O +ATOM 202 CB SER A 13 7.160 -7.358 3.464 1.00 0.00 C +ATOM 203 OG SER A 13 5.803 -7.725 3.370 1.00 0.00 O +ATOM 204 H SER A 13 5.705 -5.222 3.755 1.00 0.00 H +ATOM 205 HA SER A 13 8.474 -5.782 2.964 1.00 0.00 H +ATOM 206 HB2 SER A 13 7.759 -8.113 2.992 1.00 0.00 H +ATOM 207 HB3 SER A 13 7.430 -7.277 4.519 1.00 0.00 H +ATOM 208 HG SER A 13 5.735 -8.681 3.298 1.00 0.00 H +ATOM 209 N SER A 14 6.606 -5.101 0.635 1.00 0.00 N +ATOM 210 CA SER A 14 6.348 -4.975 -0.808 1.00 0.00 C +ATOM 211 C SER A 14 7.404 -4.162 -1.577 1.00 0.00 C +ATOM 212 O SER A 14 7.289 -3.990 -2.790 1.00 0.00 O +ATOM 213 CB SER A 14 5.008 -4.262 -1.007 1.00 0.00 C +ATOM 214 OG SER A 14 4.002 -4.863 -0.226 1.00 0.00 O +ATOM 215 H SER A 14 6.121 -4.441 1.233 1.00 0.00 H +ATOM 216 HA SER A 14 6.278 -5.969 -1.254 1.00 0.00 H +ATOM 217 HB2 SER A 14 5.110 -3.234 -0.719 1.00 0.00 H +ATOM 218 HB3 SER A 14 4.727 -4.291 -2.059 1.00 0.00 H +ATOM 219 HG SER A 14 3.353 -4.187 -0.015 1.00 0.00 H +ATOM 220 N GLY A 15 8.395 -3.574 -0.897 1.00 0.00 N +ATOM 221 CA GLY A 15 9.449 -2.750 -1.509 1.00 0.00 C +ATOM 222 C GLY A 15 9.021 -1.317 -1.874 1.00 0.00 C +ATOM 223 O GLY A 15 9.808 -0.389 -1.697 1.00 0.00 O +ATOM 224 H GLY A 15 8.410 -3.718 0.104 1.00 0.00 H +ATOM 225 HA2 GLY A 15 10.294 -2.689 -0.823 1.00 0.00 H +ATOM 226 HA3 GLY A 15 9.796 -3.237 -2.420 1.00 0.00 H +ATOM 227 N ARG A 16 7.790 -1.115 -2.367 1.00 0.00 N +ATOM 228 CA ARG A 16 7.218 0.212 -2.656 1.00 0.00 C +ATOM 229 C ARG A 16 6.821 0.946 -1.353 1.00 0.00 C +ATOM 230 O ARG A 16 6.154 0.335 -0.515 1.00 0.00 O +ATOM 231 CB ARG A 16 6.002 0.046 -3.589 1.00 0.00 C +ATOM 232 CG ARG A 16 5.399 1.393 -4.024 1.00 0.00 C +ATOM 233 CD ARG A 16 4.125 1.223 -4.857 1.00 0.00 C +ATOM 234 NE ARG A 16 3.497 2.535 -5.114 1.00 0.00 N +ATOM 235 CZ ARG A 16 2.320 2.983 -4.685 1.00 0.00 C +ATOM 236 NH1 ARG A 16 1.482 2.226 -4.014 1.00 0.00 N +ATOM 237 NH2 ARG A 16 1.953 4.216 -4.940 1.00 0.00 N +ATOM 238 H ARG A 16 7.238 -1.952 -2.530 1.00 0.00 H +ATOM 239 HA ARG A 16 7.984 0.787 -3.176 1.00 0.00 H +ATOM 240 HB2 ARG A 16 6.312 -0.490 -4.465 1.00 0.00 H +ATOM 241 HB3 ARG A 16 5.238 -0.540 -3.076 1.00 0.00 H +ATOM 242 HG2 ARG A 16 5.163 1.964 -3.147 1.00 0.00 H +ATOM 243 HG3 ARG A 16 6.135 1.947 -4.608 1.00 0.00 H +ATOM 244 HD2 ARG A 16 4.374 0.761 -5.793 1.00 0.00 H +ATOM 245 HD3 ARG A 16 3.445 0.561 -4.322 1.00 0.00 H +ATOM 246 HE ARG A 16 4.053 3.192 -5.635 1.00 0.00 H +ATOM 247 HH11 ARG A 16 1.728 1.264 -3.884 1.00 0.00 H +ATOM 248 HH12 ARG A 16 0.601 2.578 -3.692 1.00 0.00 H +ATOM 249 HH21 ARG A 16 2.560 4.835 -5.449 1.00 0.00 H +ATOM 250 HH22 ARG A 16 1.060 4.549 -4.627 1.00 0.00 H +ATOM 251 N PRO A 17 7.132 2.251 -1.190 1.00 0.00 N +ATOM 252 CA PRO A 17 6.721 3.035 -0.016 1.00 0.00 C +ATOM 253 C PRO A 17 5.194 3.259 0.062 1.00 0.00 C +ATOM 254 O PRO A 17 4.507 3.162 -0.959 1.00 0.00 O +ATOM 255 CB PRO A 17 7.473 4.368 -0.143 1.00 0.00 C +ATOM 256 CG PRO A 17 7.674 4.523 -1.648 1.00 0.00 C +ATOM 257 CD PRO A 17 7.904 3.085 -2.103 1.00 0.00 C +ATOM 258 HA PRO A 17 7.053 2.520 0.885 1.00 0.00 H +ATOM 259 HB2 PRO A 17 6.889 5.177 0.251 1.00 0.00 H +ATOM 260 HB3 PRO A 17 8.446 4.287 0.346 1.00 0.00 H +ATOM 261 HG2 PRO A 17 6.803 4.942 -2.114 1.00 0.00 H +ATOM 262 HG3 PRO A 17 8.524 5.165 -1.882 1.00 0.00 H +ATOM 263 HD2 PRO A 17 7.561 2.953 -3.111 1.00 0.00 H +ATOM 264 HD3 PRO A 17 8.962 2.836 -2.011 1.00 0.00 H +ATOM 265 N PRO A 18 4.651 3.589 1.252 1.00 0.00 N +ATOM 266 CA PRO A 18 3.222 3.833 1.437 1.00 0.00 C +ATOM 267 C PRO A 18 2.772 5.142 0.759 1.00 0.00 C +ATOM 268 O PRO A 18 3.480 6.148 0.843 1.00 0.00 O +ATOM 269 CB PRO A 18 3.004 3.890 2.953 1.00 0.00 C +ATOM 270 CG PRO A 18 4.356 4.348 3.494 1.00 0.00 C +ATOM 271 CD PRO A 18 5.355 3.724 2.520 1.00 0.00 C +ATOM 272 HA PRO A 18 2.669 2.988 1.034 1.00 0.00 H +ATOM 273 HB2 PRO A 18 2.233 4.593 3.203 1.00 0.00 H +ATOM 274 HB3 PRO A 18 2.784 2.892 3.327 1.00 0.00 H +ATOM 275 HG2 PRO A 18 4.430 5.418 3.487 1.00 0.00 H +ATOM 276 HG3 PRO A 18 4.520 4.003 4.516 1.00 0.00 H +ATOM 277 HD2 PRO A 18 6.211 4.361 2.405 1.00 0.00 H +ATOM 278 HD3 PRO A 18 5.649 2.736 2.877 1.00 0.00 H +ATOM 279 N PRO A 19 1.591 5.165 0.108 1.00 0.00 N +ATOM 280 CA PRO A 19 1.031 6.371 -0.488 1.00 0.00 C +ATOM 281 C PRO A 19 0.380 7.262 0.584 1.00 0.00 C +ATOM 282 O PRO A 19 -0.321 6.767 1.470 1.00 0.00 O +ATOM 283 CB PRO A 19 0.009 5.859 -1.504 1.00 0.00 C +ATOM 284 CG PRO A 19 -0.512 4.571 -0.862 1.00 0.00 C +ATOM 285 CD PRO A 19 0.696 4.034 -0.095 1.00 0.00 C +ATOM 286 HA PRO A 19 1.809 6.936 -1.005 1.00 0.00 H +ATOM 287 HB2 PRO A 19 -0.784 6.568 -1.642 1.00 0.00 H +ATOM 288 HB3 PRO A 19 0.521 5.617 -2.437 1.00 0.00 H +ATOM 289 HG2 PRO A 19 -1.327 4.778 -0.196 1.00 0.00 H +ATOM 290 HG3 PRO A 19 -0.847 3.854 -1.611 1.00 0.00 H +ATOM 291 HD2 PRO A 19 0.386 3.632 0.850 1.00 0.00 H +ATOM 292 HD3 PRO A 19 1.206 3.279 -0.693 1.00 0.00 H +ATOM 293 N SER A 20 0.592 8.578 0.472 1.00 0.00 N +ATOM 294 CA SER A 20 0.019 9.620 1.329 1.00 0.00 C +ATOM 295 C SER A 20 -0.235 10.875 0.498 1.00 0.00 C +ATOM 296 O SER A 20 0.745 11.327 -0.137 1.00 0.00 O +ATOM 297 CB SER A 20 0.977 9.898 2.490 1.00 0.00 C +ATOM 298 OG SER A 20 0.308 10.641 3.489 1.00 0.00 O +ATOM 299 OXT SER A 20 -1.409 11.298 0.440 1.00 0.00 O +ATOM 300 H SER A 20 1.168 8.935 -0.278 1.00 0.00 H +ATOM 301 HA SER A 20 -0.939 9.293 1.731 1.00 0.00 H +ATOM 302 HB2 SER A 20 1.316 8.968 2.904 1.00 0.00 H +ATOM 303 HB3 SER A 20 1.845 10.449 2.120 1.00 0.00 H +ATOM 304 HG SER A 20 0.955 10.989 4.106 1.00 0.00 H +TER 305 SER A 20 +ENDMDL +MODEL 10 +ATOM 1 N ASN A 1 -6.943 6.963 0.951 1.00 0.00 N +ATOM 2 CA ASN A 1 -7.689 6.240 -0.107 1.00 0.00 C +ATOM 3 C ASN A 1 -6.888 5.124 -0.770 1.00 0.00 C +ATOM 4 O ASN A 1 -7.377 4.006 -0.773 1.00 0.00 O +ATOM 5 CB ASN A 1 -8.340 7.202 -1.116 1.00 0.00 C +ATOM 6 CG ASN A 1 -9.413 8.048 -0.430 1.00 0.00 C +ATOM 7 OD1 ASN A 1 -9.573 7.981 0.781 1.00 0.00 O +ATOM 8 ND2 ASN A 1 -10.146 8.872 -1.153 1.00 0.00 N +ATOM 9 H1 ASN A 1 -6.551 6.315 1.619 1.00 0.00 H +ATOM 10 H2 ASN A 1 -6.210 7.532 0.552 1.00 0.00 H +ATOM 11 H3 ASN A 1 -7.600 7.571 1.435 1.00 0.00 H +ATOM 12 HA ASN A 1 -8.514 5.723 0.389 1.00 0.00 H +ATOM 13 HB2 ASN A 1 -7.587 7.849 -1.524 1.00 0.00 H +ATOM 14 HB3 ASN A 1 -8.816 6.622 -1.909 1.00 0.00 H +ATOM 15 HD21 ASN A 1 -10.039 8.989 -2.148 1.00 0.00 H +ATOM 16 HD22 ASN A 1 -10.843 9.380 -0.632 1.00 0.00 H +ATOM 17 N LEU A 2 -5.683 5.360 -1.308 1.00 0.00 N +ATOM 18 CA LEU A 2 -4.939 4.305 -2.022 1.00 0.00 C +ATOM 19 C LEU A 2 -4.268 3.260 -1.097 1.00 0.00 C +ATOM 20 O LEU A 2 -3.716 2.270 -1.573 1.00 0.00 O +ATOM 21 CB LEU A 2 -3.943 4.985 -2.983 1.00 0.00 C +ATOM 22 CG LEU A 2 -3.510 4.134 -4.197 1.00 0.00 C +ATOM 23 CD1 LEU A 2 -4.689 3.815 -5.127 1.00 0.00 C +ATOM 24 CD2 LEU A 2 -2.467 4.910 -5.004 1.00 0.00 C +ATOM 25 H LEU A 2 -5.289 6.289 -1.343 1.00 0.00 H +ATOM 26 HA LEU A 2 -5.665 3.756 -2.620 1.00 0.00 H +ATOM 27 HB2 LEU A 2 -4.400 5.882 -3.353 1.00 0.00 H +ATOM 28 HB3 LEU A 2 -3.059 5.272 -2.417 1.00 0.00 H +ATOM 29 HG LEU A 2 -3.055 3.203 -3.864 1.00 0.00 H +ATOM 30 HD11 LEU A 2 -5.375 3.120 -4.648 1.00 0.00 H +ATOM 31 HD12 LEU A 2 -5.221 4.730 -5.390 1.00 0.00 H +ATOM 32 HD13 LEU A 2 -4.321 3.345 -6.040 1.00 0.00 H +ATOM 33 HD21 LEU A 2 -2.887 5.852 -5.359 1.00 0.00 H +ATOM 34 HD22 LEU A 2 -1.596 5.115 -4.384 1.00 0.00 H +ATOM 35 HD23 LEU A 2 -2.147 4.317 -5.861 1.00 0.00 H +ATOM 36 N TYR A 3 -4.340 3.443 0.228 1.00 0.00 N +ATOM 37 CA TYR A 3 -3.683 2.595 1.228 1.00 0.00 C +ATOM 38 C TYR A 3 -4.096 1.115 1.160 1.00 0.00 C +ATOM 39 O TYR A 3 -3.266 0.248 1.427 1.00 0.00 O +ATOM 40 CB TYR A 3 -3.925 3.179 2.630 1.00 0.00 C +ATOM 41 CG TYR A 3 -2.760 2.970 3.580 1.00 0.00 C +ATOM 42 CD1 TYR A 3 -1.680 3.874 3.561 1.00 0.00 C +ATOM 43 CD2 TYR A 3 -2.753 1.884 4.475 1.00 0.00 C +ATOM 44 CE1 TYR A 3 -0.588 3.691 4.430 1.00 0.00 C +ATOM 45 CE2 TYR A 3 -1.662 1.698 5.348 1.00 0.00 C +ATOM 46 CZ TYR A 3 -0.577 2.599 5.325 1.00 0.00 C +ATOM 47 OH TYR A 3 0.476 2.408 6.162 1.00 0.00 O +ATOM 48 H TYR A 3 -4.813 4.268 0.548 1.00 0.00 H +ATOM 49 HA TYR A 3 -2.609 2.637 1.035 1.00 0.00 H +ATOM 50 HB2 TYR A 3 -4.100 4.233 2.534 1.00 0.00 H +ATOM 51 HB3 TYR A 3 -4.832 2.746 3.057 1.00 0.00 H +ATOM 52 HD1 TYR A 3 -1.686 4.718 2.886 1.00 0.00 H +ATOM 53 HD2 TYR A 3 -3.582 1.193 4.494 1.00 0.00 H +ATOM 54 HE1 TYR A 3 0.229 4.396 4.422 1.00 0.00 H +ATOM 55 HE2 TYR A 3 -1.639 0.873 6.042 1.00 0.00 H +ATOM 56 HH TYR A 3 1.215 2.981 5.950 1.00 0.00 H +ATOM 57 N ILE A 4 -5.333 0.810 0.732 1.00 0.00 N +ATOM 58 CA ILE A 4 -5.790 -0.565 0.464 1.00 0.00 C +ATOM 59 C ILE A 4 -4.909 -1.223 -0.610 1.00 0.00 C +ATOM 60 O ILE A 4 -4.439 -2.342 -0.417 1.00 0.00 O +ATOM 61 CB ILE A 4 -7.285 -0.604 0.049 1.00 0.00 C +ATOM 62 CG1 ILE A 4 -8.234 0.069 1.074 1.00 0.00 C +ATOM 63 CG2 ILE A 4 -7.764 -2.056 -0.139 1.00 0.00 C +ATOM 64 CD1 ILE A 4 -8.662 1.477 0.657 1.00 0.00 C +ATOM 65 H ILE A 4 -5.959 1.576 0.529 1.00 0.00 H +ATOM 66 HA ILE A 4 -5.679 -1.148 1.381 1.00 0.00 H +ATOM 67 HB ILE A 4 -7.388 -0.102 -0.916 1.00 0.00 H +ATOM 68 HG12 ILE A 4 -9.112 -0.539 1.177 1.00 0.00 H +ATOM 69 HG13 ILE A 4 -7.760 0.113 2.055 1.00 0.00 H +ATOM 70 HG21 ILE A 4 -7.127 -2.599 -0.836 1.00 0.00 H +ATOM 71 HG22 ILE A 4 -7.772 -2.577 0.819 1.00 0.00 H +ATOM 72 HG23 ILE A 4 -8.776 -2.054 -0.550 1.00 0.00 H +ATOM 73 HD11 ILE A 4 -7.813 2.149 0.745 1.00 0.00 H +ATOM 74 HD12 ILE A 4 -9.034 1.472 -0.368 1.00 0.00 H +ATOM 75 HD13 ILE A 4 -9.458 1.827 1.316 1.00 0.00 H +ATOM 76 N GLN A 5 -4.664 -0.521 -1.727 1.00 0.00 N +ATOM 77 CA GLN A 5 -3.843 -0.981 -2.852 1.00 0.00 C +ATOM 78 C GLN A 5 -2.374 -1.203 -2.455 1.00 0.00 C +ATOM 79 O GLN A 5 -1.735 -2.102 -2.996 1.00 0.00 O +ATOM 80 CB GLN A 5 -3.966 0.016 -4.026 1.00 0.00 C +ATOM 81 CG GLN A 5 -4.731 -0.540 -5.248 1.00 0.00 C +ATOM 82 CD GLN A 5 -3.839 -0.991 -6.408 1.00 0.00 C +ATOM 83 OE1 GLN A 5 -2.801 -0.426 -6.704 1.00 0.00 O +ATOM 84 NE2 GLN A 5 -4.226 -2.006 -7.158 1.00 0.00 N +ATOM 85 H GLN A 5 -4.986 0.437 -1.755 1.00 0.00 H +ATOM 86 HA GLN A 5 -4.229 -1.945 -3.174 1.00 0.00 H +ATOM 87 HB2 GLN A 5 -4.481 0.889 -3.674 1.00 0.00 H +ATOM 88 HB3 GLN A 5 -2.974 0.357 -4.328 1.00 0.00 H +ATOM 89 HG2 GLN A 5 -5.311 -1.383 -4.925 1.00 0.00 H +ATOM 90 HG3 GLN A 5 -5.374 0.252 -5.631 1.00 0.00 H +ATOM 91 HE21 GLN A 5 -5.133 -2.431 -7.060 1.00 0.00 H +ATOM 92 HE22 GLN A 5 -3.683 -2.060 -8.004 1.00 0.00 H +ATOM 93 N TRP A 6 -1.859 -0.430 -1.488 1.00 0.00 N +ATOM 94 CA TRP A 6 -0.534 -0.641 -0.897 1.00 0.00 C +ATOM 95 C TRP A 6 -0.505 -1.815 0.100 1.00 0.00 C +ATOM 96 O TRP A 6 0.412 -2.635 0.060 1.00 0.00 O +ATOM 97 CB TRP A 6 -0.068 0.666 -0.245 1.00 0.00 C +ATOM 98 CG TRP A 6 1.303 0.611 0.356 1.00 0.00 C +ATOM 99 CD1 TRP A 6 2.468 0.703 -0.325 1.00 0.00 C +ATOM 100 CD2 TRP A 6 1.674 0.434 1.758 1.00 0.00 C +ATOM 101 NE1 TRP A 6 3.528 0.564 0.550 1.00 0.00 N +ATOM 102 CE2 TRP A 6 3.097 0.425 1.849 1.00 0.00 C +ATOM 103 CE3 TRP A 6 0.953 0.284 2.960 1.00 0.00 C +ATOM 104 CZ2 TRP A 6 3.775 0.299 3.069 1.00 0.00 C +ATOM 105 CZ3 TRP A 6 1.622 0.134 4.190 1.00 0.00 C +ATOM 106 CH2 TRP A 6 3.026 0.159 4.250 1.00 0.00 C +ATOM 107 H TRP A 6 -2.448 0.312 -1.131 1.00 0.00 H +ATOM 108 HA TRP A 6 0.169 -0.885 -1.694 1.00 0.00 H +ATOM 109 HB2 TRP A 6 -0.074 1.434 -0.994 1.00 0.00 H +ATOM 110 HB3 TRP A 6 -0.776 0.954 0.532 1.00 0.00 H +ATOM 111 HD1 TRP A 6 2.556 0.855 -1.394 1.00 0.00 H +ATOM 112 HE1 TRP A 6 4.512 0.575 0.270 1.00 0.00 H +ATOM 113 HE3 TRP A 6 -0.126 0.291 2.931 1.00 0.00 H +ATOM 114 HZ2 TRP A 6 4.854 0.309 3.090 1.00 0.00 H +ATOM 115 HZ3 TRP A 6 1.050 0.016 5.100 1.00 0.00 H +ATOM 116 HH2 TRP A 6 3.527 0.067 5.203 1.00 0.00 H +ATOM 117 N LEU A 7 -1.510 -1.935 0.978 1.00 0.00 N +ATOM 118 CA LEU A 7 -1.599 -3.048 1.926 1.00 0.00 C +ATOM 119 C LEU A 7 -1.809 -4.403 1.239 1.00 0.00 C +ATOM 120 O LEU A 7 -1.124 -5.355 1.613 1.00 0.00 O +ATOM 121 CB LEU A 7 -2.699 -2.798 2.974 1.00 0.00 C +ATOM 122 CG LEU A 7 -2.286 -1.852 4.119 1.00 0.00 C +ATOM 123 CD1 LEU A 7 -3.491 -1.640 5.038 1.00 0.00 C +ATOM 124 CD2 LEU A 7 -1.140 -2.415 4.972 1.00 0.00 C +ATOM 125 H LEU A 7 -2.224 -1.210 1.007 1.00 0.00 H +ATOM 126 HA LEU A 7 -0.640 -3.131 2.434 1.00 0.00 H +ATOM 127 HB2 LEU A 7 -3.547 -2.370 2.475 1.00 0.00 H +ATOM 128 HB3 LEU A 7 -2.977 -3.755 3.419 1.00 0.00 H +ATOM 129 HG LEU A 7 -1.983 -0.891 3.707 1.00 0.00 H +ATOM 130 HD11 LEU A 7 -4.312 -1.199 4.473 1.00 0.00 H +ATOM 131 HD12 LEU A 7 -3.814 -2.592 5.458 1.00 0.00 H +ATOM 132 HD13 LEU A 7 -3.224 -0.969 5.855 1.00 0.00 H +ATOM 133 HD21 LEU A 7 -1.389 -3.418 5.318 1.00 0.00 H +ATOM 134 HD22 LEU A 7 -0.217 -2.452 4.397 1.00 0.00 H +ATOM 135 HD23 LEU A 7 -0.968 -1.773 5.834 1.00 0.00 H +ATOM 136 N LYS A 8 -2.697 -4.510 0.235 1.00 0.00 N +ATOM 137 CA LYS A 8 -2.957 -5.783 -0.469 1.00 0.00 C +ATOM 138 C LYS A 8 -1.729 -6.374 -1.170 1.00 0.00 C +ATOM 139 O LYS A 8 -1.710 -7.566 -1.460 1.00 0.00 O +ATOM 140 CB LYS A 8 -4.168 -5.663 -1.419 1.00 0.00 C +ATOM 141 CG LYS A 8 -4.006 -4.746 -2.644 1.00 0.00 C +ATOM 142 CD LYS A 8 -3.193 -5.323 -3.812 1.00 0.00 C +ATOM 143 CE LYS A 8 -3.386 -4.457 -5.061 1.00 0.00 C +ATOM 144 NZ LYS A 8 -2.231 -4.566 -5.977 1.00 0.00 N +ATOM 145 H LYS A 8 -3.247 -3.686 -0.007 1.00 0.00 H +ATOM 146 HA LYS A 8 -3.228 -6.519 0.290 1.00 0.00 H +ATOM 147 HB2 LYS A 8 -4.396 -6.648 -1.779 1.00 0.00 H +ATOM 148 HB3 LYS A 8 -5.007 -5.283 -0.833 1.00 0.00 H +ATOM 149 HG2 LYS A 8 -4.987 -4.511 -3.011 1.00 0.00 H +ATOM 150 HG3 LYS A 8 -3.534 -3.825 -2.321 1.00 0.00 H +ATOM 151 HD2 LYS A 8 -2.153 -5.339 -3.548 1.00 0.00 H +ATOM 152 HD3 LYS A 8 -3.497 -6.350 -4.023 1.00 0.00 H +ATOM 153 HE2 LYS A 8 -4.271 -4.779 -5.575 1.00 0.00 H +ATOM 154 HE3 LYS A 8 -3.483 -3.417 -4.746 1.00 0.00 H +ATOM 155 HZ1 LYS A 8 -1.362 -4.377 -5.451 1.00 0.00 H +ATOM 156 HZ2 LYS A 8 -2.123 -5.504 -6.333 1.00 0.00 H +ATOM 157 HZ3 LYS A 8 -2.292 -3.898 -6.731 1.00 0.00 H +ATOM 158 N ASP A 9 -0.707 -5.552 -1.426 1.00 0.00 N +ATOM 159 CA ASP A 9 0.589 -5.960 -1.966 1.00 0.00 C +ATOM 160 C ASP A 9 1.516 -6.588 -0.906 1.00 0.00 C +ATOM 161 O ASP A 9 2.485 -7.250 -1.274 1.00 0.00 O +ATOM 162 CB ASP A 9 1.253 -4.722 -2.594 1.00 0.00 C +ATOM 163 CG ASP A 9 1.159 -4.718 -4.115 1.00 0.00 C +ATOM 164 OD1 ASP A 9 0.038 -4.607 -4.656 1.00 0.00 O +ATOM 165 OD2 ASP A 9 2.240 -4.782 -4.738 1.00 0.00 O +ATOM 166 H ASP A 9 -0.829 -4.576 -1.196 1.00 0.00 H +ATOM 167 HA ASP A 9 0.438 -6.713 -2.742 1.00 0.00 H +ATOM 168 HB2 ASP A 9 0.768 -3.843 -2.217 1.00 0.00 H +ATOM 169 HB3 ASP A 9 2.307 -4.701 -2.323 1.00 0.00 H +ATOM 170 N GLY A 10 1.212 -6.406 0.389 1.00 0.00 N +ATOM 171 CA GLY A 10 2.037 -6.837 1.523 1.00 0.00 C +ATOM 172 C GLY A 10 2.524 -5.698 2.431 1.00 0.00 C +ATOM 173 O GLY A 10 3.335 -5.946 3.326 1.00 0.00 O +ATOM 174 H GLY A 10 0.334 -5.944 0.606 1.00 0.00 H +ATOM 175 HA2 GLY A 10 1.452 -7.525 2.133 1.00 0.00 H +ATOM 176 HA3 GLY A 10 2.916 -7.372 1.161 1.00 0.00 H +ATOM 177 N GLY A 11 2.079 -4.450 2.212 1.00 0.00 N +ATOM 178 CA GLY A 11 2.527 -3.280 2.968 1.00 0.00 C +ATOM 179 C GLY A 11 4.060 -3.125 2.939 1.00 0.00 C +ATOM 180 O GLY A 11 4.630 -3.169 1.842 1.00 0.00 O +ATOM 181 H GLY A 11 1.473 -4.294 1.414 1.00 0.00 H +ATOM 182 HA2 GLY A 11 2.088 -2.385 2.527 1.00 0.00 H +ATOM 183 HA3 GLY A 11 2.161 -3.373 3.989 1.00 0.00 H +ATOM 184 N PRO A 12 4.753 -2.971 4.089 1.00 0.00 N +ATOM 185 CA PRO A 12 6.211 -2.791 4.140 1.00 0.00 C +ATOM 186 C PRO A 12 7.014 -3.874 3.403 1.00 0.00 C +ATOM 187 O PRO A 12 8.041 -3.574 2.797 1.00 0.00 O +ATOM 188 CB PRO A 12 6.582 -2.768 5.628 1.00 0.00 C +ATOM 189 CG PRO A 12 5.287 -2.370 6.329 1.00 0.00 C +ATOM 190 CD PRO A 12 4.205 -2.974 5.438 1.00 0.00 C +ATOM 191 HA PRO A 12 6.452 -1.822 3.699 1.00 0.00 H +ATOM 192 HB2 PRO A 12 6.909 -3.736 5.954 1.00 0.00 H +ATOM 193 HB3 PRO A 12 7.381 -2.053 5.830 1.00 0.00 H +ATOM 194 HG2 PRO A 12 5.244 -2.782 7.319 1.00 0.00 H +ATOM 195 HG3 PRO A 12 5.193 -1.282 6.336 1.00 0.00 H +ATOM 196 HD2 PRO A 12 3.982 -3.977 5.748 1.00 0.00 H +ATOM 197 HD3 PRO A 12 3.295 -2.381 5.511 1.00 0.00 H +ATOM 198 N SER A 13 6.533 -5.123 3.409 1.00 0.00 N +ATOM 199 CA SER A 13 7.187 -6.275 2.772 1.00 0.00 C +ATOM 200 C SER A 13 7.064 -6.297 1.237 1.00 0.00 C +ATOM 201 O SER A 13 7.472 -7.272 0.612 1.00 0.00 O +ATOM 202 CB SER A 13 6.637 -7.571 3.386 1.00 0.00 C +ATOM 203 OG SER A 13 6.985 -7.634 4.757 1.00 0.00 O +ATOM 204 H SER A 13 5.655 -5.302 3.884 1.00 0.00 H +ATOM 205 HA SER A 13 8.253 -6.230 2.991 1.00 0.00 H +ATOM 206 HB2 SER A 13 5.569 -7.587 3.288 1.00 0.00 H +ATOM 207 HB3 SER A 13 7.058 -8.437 2.875 1.00 0.00 H +ATOM 208 HG SER A 13 7.938 -7.738 4.830 1.00 0.00 H +ATOM 209 N SER A 14 6.524 -5.234 0.624 1.00 0.00 N +ATOM 210 CA SER A 14 6.244 -5.155 -0.818 1.00 0.00 C +ATOM 211 C SER A 14 7.352 -4.486 -1.642 1.00 0.00 C +ATOM 212 O SER A 14 7.292 -4.512 -2.869 1.00 0.00 O +ATOM 213 CB SER A 14 4.956 -4.361 -1.069 1.00 0.00 C +ATOM 214 OG SER A 14 3.953 -4.634 -0.126 1.00 0.00 O +ATOM 215 H SER A 14 6.200 -4.481 1.217 1.00 0.00 H +ATOM 216 HA SER A 14 6.093 -6.164 -1.206 1.00 0.00 H +ATOM 217 HB2 SER A 14 5.186 -3.314 -1.030 1.00 0.00 H +ATOM 218 HB3 SER A 14 4.589 -4.586 -2.070 1.00 0.00 H +ATOM 219 HG SER A 14 4.150 -4.078 0.666 1.00 0.00 H +ATOM 220 N GLY A 15 8.336 -3.840 -0.998 1.00 0.00 N +ATOM 221 CA GLY A 15 9.395 -3.094 -1.693 1.00 0.00 C +ATOM 222 C GLY A 15 8.943 -1.756 -2.301 1.00 0.00 C +ATOM 223 O GLY A 15 9.512 -1.327 -3.303 1.00 0.00 O +ATOM 224 H GLY A 15 8.352 -3.897 0.012 1.00 0.00 H +ATOM 225 HA2 GLY A 15 10.206 -2.893 -0.996 1.00 0.00 H +ATOM 226 HA3 GLY A 15 9.795 -3.712 -2.500 1.00 0.00 H +ATOM 227 N ARG A 16 7.916 -1.105 -1.732 1.00 0.00 N +ATOM 228 CA ARG A 16 7.364 0.181 -2.198 1.00 0.00 C +ATOM 229 C ARG A 16 6.867 1.046 -1.024 1.00 0.00 C +ATOM 230 O ARG A 16 6.262 0.497 -0.098 1.00 0.00 O +ATOM 231 CB ARG A 16 6.251 -0.057 -3.241 1.00 0.00 C +ATOM 232 CG ARG A 16 5.161 -1.058 -2.811 1.00 0.00 C +ATOM 233 CD ARG A 16 4.134 -1.346 -3.924 1.00 0.00 C +ATOM 234 NE ARG A 16 4.103 -2.766 -4.336 1.00 0.00 N +ATOM 235 CZ ARG A 16 5.054 -3.492 -4.909 1.00 0.00 C +ATOM 236 NH1 ARG A 16 6.220 -2.996 -5.246 1.00 0.00 N +ATOM 237 NH2 ARG A 16 4.821 -4.753 -5.163 1.00 0.00 N +ATOM 238 H ARG A 16 7.511 -1.511 -0.898 1.00 0.00 H +ATOM 239 HA ARG A 16 8.172 0.718 -2.695 1.00 0.00 H +ATOM 240 HB2 ARG A 16 5.778 0.884 -3.444 1.00 0.00 H +ATOM 241 HB3 ARG A 16 6.725 -0.430 -4.149 1.00 0.00 H +ATOM 242 HG2 ARG A 16 5.634 -1.981 -2.535 1.00 0.00 H +ATOM 243 HG3 ARG A 16 4.637 -0.670 -1.938 1.00 0.00 H +ATOM 244 HD2 ARG A 16 3.159 -1.073 -3.568 1.00 0.00 H +ATOM 245 HD3 ARG A 16 4.340 -0.723 -4.795 1.00 0.00 H +ATOM 246 HE ARG A 16 3.238 -3.299 -4.232 1.00 0.00 H +ATOM 247 HH11 ARG A 16 6.407 -2.037 -5.038 1.00 0.00 H +ATOM 248 HH12 ARG A 16 6.943 -3.615 -5.560 1.00 0.00 H +ATOM 249 HH21 ARG A 16 3.839 -5.043 -5.009 1.00 0.00 H +ATOM 250 HH22 ARG A 16 5.505 -5.381 -5.529 1.00 0.00 H +ATOM 251 N PRO A 17 7.083 2.378 -1.045 1.00 0.00 N +ATOM 252 CA PRO A 17 6.638 3.277 0.023 1.00 0.00 C +ATOM 253 C PRO A 17 5.104 3.442 0.035 1.00 0.00 C +ATOM 254 O PRO A 17 4.455 3.170 -0.978 1.00 0.00 O +ATOM 255 CB PRO A 17 7.343 4.610 -0.260 1.00 0.00 C +ATOM 256 CG PRO A 17 7.496 4.611 -1.779 1.00 0.00 C +ATOM 257 CD PRO A 17 7.741 3.138 -2.101 1.00 0.00 C +ATOM 258 HA PRO A 17 6.968 2.888 0.986 1.00 0.00 H +ATOM 259 HB2 PRO A 17 6.744 5.438 0.067 1.00 0.00 H +ATOM 260 HB3 PRO A 17 8.332 4.604 0.204 1.00 0.00 H +ATOM 261 HG2 PRO A 17 6.603 4.967 -2.256 1.00 0.00 H +ATOM 262 HG3 PRO A 17 8.328 5.240 -2.103 1.00 0.00 H +ATOM 263 HD2 PRO A 17 7.319 2.890 -3.056 1.00 0.00 H +ATOM 264 HD3 PRO A 17 8.812 2.932 -2.083 1.00 0.00 H +ATOM 265 N PRO A 18 4.512 3.890 1.161 1.00 0.00 N +ATOM 266 CA PRO A 18 3.074 4.111 1.260 1.00 0.00 C +ATOM 267 C PRO A 18 2.616 5.335 0.440 1.00 0.00 C +ATOM 268 O PRO A 18 3.395 6.265 0.230 1.00 0.00 O +ATOM 269 CB PRO A 18 2.796 4.301 2.754 1.00 0.00 C +ATOM 270 CG PRO A 18 4.105 4.879 3.287 1.00 0.00 C +ATOM 271 CD PRO A 18 5.162 4.183 2.431 1.00 0.00 C +ATOM 272 HA PRO A 18 2.556 3.220 0.910 1.00 0.00 H +ATOM 273 HB2 PRO A 18 1.983 4.984 2.910 1.00 0.00 H +ATOM 274 HB3 PRO A 18 2.610 3.329 3.214 1.00 0.00 H +ATOM 275 HG2 PRO A 18 4.140 5.943 3.153 1.00 0.00 H +ATOM 276 HG3 PRO A 18 4.240 4.666 4.348 1.00 0.00 H +ATOM 277 HD2 PRO A 18 6.005 4.829 2.279 1.00 0.00 H +ATOM 278 HD3 PRO A 18 5.463 3.249 2.906 1.00 0.00 H +ATOM 279 N PRO A 19 1.341 5.370 0.004 1.00 0.00 N +ATOM 280 CA PRO A 19 0.777 6.481 -0.754 1.00 0.00 C +ATOM 281 C PRO A 19 0.447 7.673 0.157 1.00 0.00 C +ATOM 282 O PRO A 19 -0.482 7.605 0.965 1.00 0.00 O +ATOM 283 CB PRO A 19 -0.466 5.904 -1.437 1.00 0.00 C +ATOM 284 CG PRO A 19 -0.933 4.811 -0.475 1.00 0.00 C +ATOM 285 CD PRO A 19 0.371 4.292 0.127 1.00 0.00 C +ATOM 286 HA PRO A 19 1.481 6.804 -1.523 1.00 0.00 H +ATOM 287 HB2 PRO A 19 -1.221 6.657 -1.557 1.00 0.00 H +ATOM 288 HB3 PRO A 19 -0.172 5.448 -2.384 1.00 0.00 H +ATOM 289 HG2 PRO A 19 -1.573 5.216 0.285 1.00 0.00 H +ATOM 290 HG3 PRO A 19 -1.468 4.019 -0.996 1.00 0.00 H +ATOM 291 HD2 PRO A 19 0.227 4.038 1.160 1.00 0.00 H +ATOM 292 HD3 PRO A 19 0.725 3.441 -0.450 1.00 0.00 H +ATOM 293 N SER A 20 1.209 8.762 0.004 1.00 0.00 N +ATOM 294 CA SER A 20 1.059 10.038 0.716 1.00 0.00 C +ATOM 295 C SER A 20 1.217 11.216 -0.248 1.00 0.00 C +ATOM 296 O SER A 20 2.389 11.403 -0.664 1.00 0.00 O +ATOM 297 CB SER A 20 2.098 10.115 1.845 1.00 0.00 C +ATOM 298 OG SER A 20 3.359 10.263 1.230 1.00 0.00 O +ATOM 299 OXT SER A 20 0.202 11.886 -0.520 1.00 0.00 O +ATOM 300 H SER A 20 1.991 8.709 -0.634 1.00 0.00 H +ATOM 301 HA SER A 20 0.060 10.107 1.146 1.00 0.00 H +ATOM 302 HB2 SER A 20 1.894 10.958 2.477 1.00 0.00 H +ATOM 303 HB3 SER A 20 2.070 9.211 2.456 1.00 0.00 H +ATOM 304 HG SER A 20 3.120 10.769 0.374 1.00 0.00 H +TER 305 SER A 20 +ENDMDL +MODEL 11 +ATOM 1 N ASN A 1 -6.688 7.436 -0.473 1.00 0.00 N +ATOM 2 CA ASN A 1 -7.529 6.238 -0.712 1.00 0.00 C +ATOM 3 C ASN A 1 -6.749 5.006 -1.210 1.00 0.00 C +ATOM 4 O ASN A 1 -7.279 3.906 -1.158 1.00 0.00 O +ATOM 5 CB ASN A 1 -8.713 6.573 -1.639 1.00 0.00 C +ATOM 6 CG ASN A 1 -9.880 5.632 -1.366 1.00 0.00 C +ATOM 7 OD1 ASN A 1 -10.413 5.629 -0.269 1.00 0.00 O +ATOM 8 ND2 ASN A 1 -10.300 4.816 -2.315 1.00 0.00 N +ATOM 9 H1 ASN A 1 -5.936 7.221 0.168 1.00 0.00 H +ATOM 10 H2 ASN A 1 -6.305 7.780 -1.344 1.00 0.00 H +ATOM 11 H3 ASN A 1 -7.252 8.169 -0.065 1.00 0.00 H +ATOM 12 HA ASN A 1 -7.963 5.944 0.246 1.00 0.00 H +ATOM 13 HB2 ASN A 1 -9.025 7.584 -1.463 1.00 0.00 H +ATOM 14 HB3 ASN A 1 -8.412 6.523 -2.686 1.00 0.00 H +ATOM 15 HD21 ASN A 1 -9.869 4.743 -3.220 1.00 0.00 H +ATOM 16 HD22 ASN A 1 -11.067 4.224 -2.039 1.00 0.00 H +ATOM 17 N LEU A 2 -5.494 5.147 -1.665 1.00 0.00 N +ATOM 18 CA LEU A 2 -4.691 4.051 -2.237 1.00 0.00 C +ATOM 19 C LEU A 2 -4.046 3.125 -1.181 1.00 0.00 C +ATOM 20 O LEU A 2 -3.429 2.120 -1.531 1.00 0.00 O +ATOM 21 CB LEU A 2 -3.615 4.692 -3.131 1.00 0.00 C +ATOM 22 CG LEU A 2 -4.196 5.327 -4.413 1.00 0.00 C +ATOM 23 CD1 LEU A 2 -3.432 6.605 -4.768 1.00 0.00 C +ATOM 24 CD2 LEU A 2 -4.134 4.351 -5.589 1.00 0.00 C +ATOM 25 H LEU A 2 -5.038 6.044 -1.695 1.00 0.00 H +ATOM 26 HA LEU A 2 -5.328 3.419 -2.859 1.00 0.00 H +ATOM 27 HB2 LEU A 2 -3.113 5.455 -2.568 1.00 0.00 H +ATOM 28 HB3 LEU A 2 -2.872 3.942 -3.409 1.00 0.00 H +ATOM 29 HG LEU A 2 -5.238 5.607 -4.254 1.00 0.00 H +ATOM 30 HD11 LEU A 2 -3.529 7.331 -3.961 1.00 0.00 H +ATOM 31 HD12 LEU A 2 -2.377 6.382 -4.926 1.00 0.00 H +ATOM 32 HD13 LEU A 2 -3.850 7.041 -5.676 1.00 0.00 H +ATOM 33 HD21 LEU A 2 -3.107 4.029 -5.760 1.00 0.00 H +ATOM 34 HD22 LEU A 2 -4.756 3.481 -5.378 1.00 0.00 H +ATOM 35 HD23 LEU A 2 -4.508 4.834 -6.491 1.00 0.00 H +ATOM 36 N TYR A 3 -4.195 3.445 0.111 1.00 0.00 N +ATOM 37 CA TYR A 3 -3.594 2.700 1.221 1.00 0.00 C +ATOM 38 C TYR A 3 -4.029 1.227 1.239 1.00 0.00 C +ATOM 39 O TYR A 3 -3.224 0.352 1.545 1.00 0.00 O +ATOM 40 CB TYR A 3 -3.934 3.395 2.550 1.00 0.00 C +ATOM 41 CG TYR A 3 -2.766 3.426 3.514 1.00 0.00 C +ATOM 42 CD1 TYR A 3 -2.442 2.278 4.260 1.00 0.00 C +ATOM 43 CD2 TYR A 3 -1.987 4.594 3.643 1.00 0.00 C +ATOM 44 CE1 TYR A 3 -1.344 2.291 5.138 1.00 0.00 C +ATOM 45 CE2 TYR A 3 -0.891 4.614 4.527 1.00 0.00 C +ATOM 46 CZ TYR A 3 -0.566 3.461 5.272 1.00 0.00 C +ATOM 47 OH TYR A 3 0.481 3.472 6.138 1.00 0.00 O +ATOM 48 H TYR A 3 -4.719 4.274 0.329 1.00 0.00 H +ATOM 49 HA TYR A 3 -2.512 2.721 1.090 1.00 0.00 H +ATOM 50 HB2 TYR A 3 -4.233 4.404 2.342 1.00 0.00 H +ATOM 51 HB3 TYR A 3 -4.777 2.889 3.026 1.00 0.00 H +ATOM 52 HD1 TYR A 3 -3.039 1.385 4.148 1.00 0.00 H +ATOM 53 HD2 TYR A 3 -2.219 5.478 3.065 1.00 0.00 H +ATOM 54 HE1 TYR A 3 -1.086 1.416 5.715 1.00 0.00 H +ATOM 55 HE2 TYR A 3 -0.292 5.509 4.627 1.00 0.00 H +ATOM 56 HH TYR A 3 0.250 3.913 6.958 1.00 0.00 H +ATOM 57 N ILE A 4 -5.286 0.955 0.858 1.00 0.00 N +ATOM 58 CA ILE A 4 -5.847 -0.393 0.739 1.00 0.00 C +ATOM 59 C ILE A 4 -5.076 -1.179 -0.327 1.00 0.00 C +ATOM 60 O ILE A 4 -4.596 -2.269 -0.040 1.00 0.00 O +ATOM 61 CB ILE A 4 -7.361 -0.341 0.420 1.00 0.00 C +ATOM 62 CG1 ILE A 4 -8.160 0.545 1.415 1.00 0.00 C +ATOM 63 CG2 ILE A 4 -7.962 -1.760 0.413 1.00 0.00 C +ATOM 64 CD1 ILE A 4 -9.201 1.423 0.710 1.00 0.00 C +ATOM 65 H ILE A 4 -5.875 1.740 0.624 1.00 0.00 H +ATOM 66 HA ILE A 4 -5.714 -0.910 1.692 1.00 0.00 H +ATOM 67 HB ILE A 4 -7.471 0.071 -0.583 1.00 0.00 H +ATOM 68 HG12 ILE A 4 -8.664 -0.092 2.116 1.00 0.00 H +ATOM 69 HG13 ILE A 4 -7.498 1.210 1.968 1.00 0.00 H +ATOM 70 HG21 ILE A 4 -7.462 -2.390 -0.323 1.00 0.00 H +ATOM 71 HG22 ILE A 4 -7.853 -2.219 1.398 1.00 0.00 H +ATOM 72 HG23 ILE A 4 -9.022 -1.713 0.159 1.00 0.00 H +ATOM 73 HD11 ILE A 4 -8.755 1.914 -0.157 1.00 0.00 H +ATOM 74 HD12 ILE A 4 -10.046 0.816 0.386 1.00 0.00 H +ATOM 75 HD13 ILE A 4 -9.552 2.192 1.399 1.00 0.00 H +ATOM 76 N GLN A 5 -4.908 -0.611 -1.532 1.00 0.00 N +ATOM 77 CA GLN A 5 -4.116 -1.188 -2.627 1.00 0.00 C +ATOM 78 C GLN A 5 -2.676 -1.485 -2.194 1.00 0.00 C +ATOM 79 O GLN A 5 -2.183 -2.586 -2.432 1.00 0.00 O +ATOM 80 CB GLN A 5 -4.133 -0.239 -3.843 1.00 0.00 C +ATOM 81 CG GLN A 5 -5.217 -0.612 -4.859 1.00 0.00 C +ATOM 82 CD GLN A 5 -5.369 0.472 -5.923 1.00 0.00 C +ATOM 83 OE1 GLN A 5 -6.272 1.289 -5.876 1.00 0.00 O +ATOM 84 NE2 GLN A 5 -4.484 0.535 -6.899 1.00 0.00 N +ATOM 85 H GLN A 5 -5.264 0.324 -1.655 1.00 0.00 H +ATOM 86 HA GLN A 5 -4.559 -2.141 -2.917 1.00 0.00 H +ATOM 87 HB2 GLN A 5 -4.314 0.761 -3.498 1.00 0.00 H +ATOM 88 HB3 GLN A 5 -3.168 -0.273 -4.350 1.00 0.00 H +ATOM 89 HG2 GLN A 5 -4.948 -1.535 -5.335 1.00 0.00 H +ATOM 90 HG3 GLN A 5 -6.173 -0.735 -4.347 1.00 0.00 H +ATOM 91 HE21 GLN A 5 -3.716 -0.109 -6.984 1.00 0.00 H +ATOM 92 HE22 GLN A 5 -4.657 1.272 -7.562 1.00 0.00 H +ATOM 93 N TRP A 6 -2.015 -0.526 -1.535 1.00 0.00 N +ATOM 94 CA TRP A 6 -0.661 -0.714 -1.009 1.00 0.00 C +ATOM 95 C TRP A 6 -0.581 -1.833 0.042 1.00 0.00 C +ATOM 96 O TRP A 6 0.287 -2.706 -0.046 1.00 0.00 O +ATOM 97 CB TRP A 6 -0.147 0.614 -0.453 1.00 0.00 C +ATOM 98 CG TRP A 6 1.240 0.540 0.100 1.00 0.00 C +ATOM 99 CD1 TRP A 6 2.369 0.426 -0.635 1.00 0.00 C +ATOM 100 CD2 TRP A 6 1.668 0.524 1.498 1.00 0.00 C +ATOM 101 NE1 TRP A 6 3.457 0.329 0.207 1.00 0.00 N +ATOM 102 CE2 TRP A 6 3.087 0.401 1.528 1.00 0.00 C +ATOM 103 CE3 TRP A 6 1.008 0.607 2.744 1.00 0.00 C +ATOM 104 CZ2 TRP A 6 3.824 0.375 2.719 1.00 0.00 C +ATOM 105 CZ3 TRP A 6 1.737 0.578 3.950 1.00 0.00 C +ATOM 106 CH2 TRP A 6 3.140 0.468 3.941 1.00 0.00 C +ATOM 107 H TRP A 6 -2.482 0.369 -1.404 1.00 0.00 H +ATOM 108 HA TRP A 6 -0.009 -1.011 -1.832 1.00 0.00 H +ATOM 109 HB2 TRP A 6 -0.158 1.339 -1.244 1.00 0.00 H +ATOM 110 HB3 TRP A 6 -0.819 0.959 0.333 1.00 0.00 H +ATOM 111 HD1 TRP A 6 2.409 0.399 -1.716 1.00 0.00 H +ATOM 112 HE1 TRP A 6 4.432 0.245 -0.091 1.00 0.00 H +ATOM 113 HE3 TRP A 6 -0.065 0.714 2.764 1.00 0.00 H +ATOM 114 HZ2 TRP A 6 4.901 0.285 2.682 1.00 0.00 H +ATOM 115 HZ3 TRP A 6 1.222 0.668 4.895 1.00 0.00 H +ATOM 116 HH2 TRP A 6 3.687 0.462 4.872 1.00 0.00 H +ATOM 117 N LEU A 7 -1.500 -1.852 1.018 1.00 0.00 N +ATOM 118 CA LEU A 7 -1.566 -2.933 2.003 1.00 0.00 C +ATOM 119 C LEU A 7 -1.887 -4.289 1.365 1.00 0.00 C +ATOM 120 O LEU A 7 -1.341 -5.295 1.810 1.00 0.00 O +ATOM 121 CB LEU A 7 -2.578 -2.606 3.117 1.00 0.00 C +ATOM 122 CG LEU A 7 -2.079 -1.558 4.127 1.00 0.00 C +ATOM 123 CD1 LEU A 7 -3.224 -1.188 5.075 1.00 0.00 C +ATOM 124 CD2 LEU A 7 -0.891 -2.038 4.980 1.00 0.00 C +ATOM 125 H LEU A 7 -2.182 -1.096 1.068 1.00 0.00 H +ATOM 126 HA LEU A 7 -0.574 -3.041 2.436 1.00 0.00 H +ATOM 127 HB2 LEU A 7 -3.475 -2.234 2.660 1.00 0.00 H +ATOM 128 HB3 LEU A 7 -2.812 -3.520 3.665 1.00 0.00 H +ATOM 129 HG LEU A 7 -1.776 -0.664 3.583 1.00 0.00 H +ATOM 130 HD11 LEU A 7 -4.066 -0.795 4.505 1.00 0.00 H +ATOM 131 HD12 LEU A 7 -3.553 -2.070 5.626 1.00 0.00 H +ATOM 132 HD13 LEU A 7 -2.889 -0.433 5.787 1.00 0.00 H +ATOM 133 HD21 LEU A 7 -1.235 -2.453 5.927 1.00 0.00 H +ATOM 134 HD22 LEU A 7 -0.314 -2.808 4.473 1.00 0.00 H +ATOM 135 HD23 LEU A 7 -0.234 -1.196 5.184 1.00 0.00 H +ATOM 136 N LYS A 8 -2.711 -4.325 0.308 1.00 0.00 N +ATOM 137 CA LYS A 8 -3.090 -5.545 -0.417 1.00 0.00 C +ATOM 138 C LYS A 8 -1.889 -6.299 -0.992 1.00 0.00 C +ATOM 139 O LYS A 8 -1.885 -7.526 -0.985 1.00 0.00 O +ATOM 140 CB LYS A 8 -4.077 -5.189 -1.537 1.00 0.00 C +ATOM 141 CG LYS A 8 -4.961 -6.377 -1.915 1.00 0.00 C +ATOM 142 CD LYS A 8 -6.092 -5.927 -2.853 1.00 0.00 C +ATOM 143 CE LYS A 8 -6.345 -6.989 -3.925 1.00 0.00 C +ATOM 144 NZ LYS A 8 -7.706 -6.871 -4.496 1.00 0.00 N +ATOM 145 H LYS A 8 -3.163 -3.451 0.044 1.00 0.00 H +ATOM 146 HA LYS A 8 -3.576 -6.217 0.293 1.00 0.00 H +ATOM 147 HB2 LYS A 8 -4.702 -4.383 -1.205 1.00 0.00 H +ATOM 148 HB3 LYS A 8 -3.527 -4.857 -2.421 1.00 0.00 H +ATOM 149 HG2 LYS A 8 -4.364 -7.118 -2.411 1.00 0.00 H +ATOM 150 HG3 LYS A 8 -5.410 -6.796 -1.012 1.00 0.00 H +ATOM 151 HD2 LYS A 8 -6.988 -5.780 -2.282 1.00 0.00 H +ATOM 152 HD3 LYS A 8 -5.831 -4.988 -3.347 1.00 0.00 H +ATOM 153 HE2 LYS A 8 -5.625 -6.869 -4.712 1.00 0.00 H +ATOM 154 HE3 LYS A 8 -6.210 -7.979 -3.483 1.00 0.00 H +ATOM 155 HZ1 LYS A 8 -8.393 -7.094 -3.788 1.00 0.00 H +ATOM 156 HZ2 LYS A 8 -7.869 -5.930 -4.825 1.00 0.00 H +ATOM 157 HZ3 LYS A 8 -7.818 -7.515 -5.269 1.00 0.00 H +ATOM 158 N ASP A 9 -0.879 -5.565 -1.461 1.00 0.00 N +ATOM 159 CA ASP A 9 0.388 -6.124 -1.938 1.00 0.00 C +ATOM 160 C ASP A 9 1.241 -6.707 -0.792 1.00 0.00 C +ATOM 161 O ASP A 9 2.087 -7.564 -1.026 1.00 0.00 O +ATOM 162 CB ASP A 9 1.146 -5.019 -2.691 1.00 0.00 C +ATOM 163 CG ASP A 9 2.006 -5.586 -3.819 1.00 0.00 C +ATOM 164 OD1 ASP A 9 3.181 -5.908 -3.534 1.00 0.00 O +ATOM 165 OD2 ASP A 9 1.487 -5.664 -4.954 1.00 0.00 O +ATOM 166 H ASP A 9 -0.992 -4.558 -1.468 1.00 0.00 H +ATOM 167 HA ASP A 9 0.170 -6.935 -2.635 1.00 0.00 H +ATOM 168 HB2 ASP A 9 0.435 -4.333 -3.108 1.00 0.00 H +ATOM 169 HB3 ASP A 9 1.772 -4.458 -1.992 1.00 0.00 H +ATOM 170 N GLY A 10 0.985 -6.274 0.450 1.00 0.00 N +ATOM 171 CA GLY A 10 1.737 -6.639 1.646 1.00 0.00 C +ATOM 172 C GLY A 10 2.495 -5.468 2.278 1.00 0.00 C +ATOM 173 O GLY A 10 3.461 -5.715 3.003 1.00 0.00 O +ATOM 174 H GLY A 10 0.165 -5.692 0.580 1.00 0.00 H +ATOM 175 HA2 GLY A 10 1.039 -7.025 2.389 1.00 0.00 H +ATOM 176 HA3 GLY A 10 2.442 -7.433 1.411 1.00 0.00 H +ATOM 177 N GLY A 11 2.110 -4.213 1.995 1.00 0.00 N +ATOM 178 CA GLY A 11 2.673 -3.013 2.615 1.00 0.00 C +ATOM 179 C GLY A 11 4.207 -2.948 2.501 1.00 0.00 C +ATOM 180 O GLY A 11 4.725 -3.042 1.386 1.00 0.00 O +ATOM 181 H GLY A 11 1.398 -4.072 1.288 1.00 0.00 H +ATOM 182 HA2 GLY A 11 2.258 -2.139 2.116 1.00 0.00 H +ATOM 183 HA3 GLY A 11 2.357 -2.986 3.655 1.00 0.00 H +ATOM 184 N PRO A 12 4.960 -2.809 3.616 1.00 0.00 N +ATOM 185 CA PRO A 12 6.424 -2.779 3.578 1.00 0.00 C +ATOM 186 C PRO A 12 7.069 -4.028 2.960 1.00 0.00 C +ATOM 187 O PRO A 12 8.189 -3.932 2.461 1.00 0.00 O +ATOM 188 CB PRO A 12 6.890 -2.607 5.031 1.00 0.00 C +ATOM 189 CG PRO A 12 5.663 -2.077 5.767 1.00 0.00 C +ATOM 190 CD PRO A 12 4.496 -2.685 4.991 1.00 0.00 C +ATOM 191 HA PRO A 12 6.736 -1.908 3.002 1.00 0.00 H +ATOM 192 HB2 PRO A 12 7.202 -3.547 5.443 1.00 0.00 H +ATOM 193 HB3 PRO A 12 7.726 -1.910 5.099 1.00 0.00 H +ATOM 194 HG2 PRO A 12 5.657 -2.404 6.789 1.00 0.00 H +ATOM 195 HG3 PRO A 12 5.630 -0.990 5.687 1.00 0.00 H +ATOM 196 HD2 PRO A 12 4.243 -3.649 5.389 1.00 0.00 H +ATOM 197 HD3 PRO A 12 3.623 -2.038 5.075 1.00 0.00 H +ATOM 198 N SER A 13 6.387 -5.186 2.959 1.00 0.00 N +ATOM 199 CA SER A 13 6.949 -6.443 2.439 1.00 0.00 C +ATOM 200 C SER A 13 7.314 -6.364 0.949 1.00 0.00 C +ATOM 201 O SER A 13 8.295 -6.974 0.530 1.00 0.00 O +ATOM 202 CB SER A 13 6.004 -7.621 2.705 1.00 0.00 C +ATOM 203 OG SER A 13 4.930 -7.624 1.798 1.00 0.00 O +ATOM 204 H SER A 13 5.432 -5.191 3.307 1.00 0.00 H +ATOM 205 HA SER A 13 7.871 -6.641 2.985 1.00 0.00 H +ATOM 206 HB2 SER A 13 6.551 -8.539 2.604 1.00 0.00 H +ATOM 207 HB3 SER A 13 5.606 -7.556 3.718 1.00 0.00 H +ATOM 208 HG SER A 13 4.348 -6.883 2.036 1.00 0.00 H +ATOM 209 N SER A 14 6.579 -5.561 0.169 1.00 0.00 N +ATOM 210 CA SER A 14 6.820 -5.327 -1.256 1.00 0.00 C +ATOM 211 C SER A 14 7.922 -4.294 -1.522 1.00 0.00 C +ATOM 212 O SER A 14 8.242 -4.017 -2.677 1.00 0.00 O +ATOM 213 CB SER A 14 5.537 -4.831 -1.928 1.00 0.00 C +ATOM 214 OG SER A 14 4.441 -5.626 -1.548 1.00 0.00 O +ATOM 215 H SER A 14 5.746 -5.132 0.560 1.00 0.00 H +ATOM 216 HA SER A 14 7.104 -6.271 -1.725 1.00 0.00 H +ATOM 217 HB2 SER A 14 5.355 -3.815 -1.634 1.00 0.00 H +ATOM 218 HB3 SER A 14 5.656 -4.884 -3.011 1.00 0.00 H +ATOM 219 HG SER A 14 3.881 -5.799 -2.406 1.00 0.00 H +ATOM 220 N GLY A 15 8.461 -3.653 -0.477 1.00 0.00 N +ATOM 221 CA GLY A 15 9.520 -2.646 -0.549 1.00 0.00 C +ATOM 222 C GLY A 15 9.063 -1.246 -0.987 1.00 0.00 C +ATOM 223 O GLY A 15 9.688 -0.260 -0.601 1.00 0.00 O +ATOM 224 H GLY A 15 8.144 -3.918 0.453 1.00 0.00 H +ATOM 225 HA2 GLY A 15 9.982 -2.562 0.434 1.00 0.00 H +ATOM 226 HA3 GLY A 15 10.282 -2.988 -1.252 1.00 0.00 H +ATOM 227 N ARG A 16 7.983 -1.136 -1.775 1.00 0.00 N +ATOM 228 CA ARG A 16 7.407 0.144 -2.217 1.00 0.00 C +ATOM 229 C ARG A 16 6.873 0.959 -1.017 1.00 0.00 C +ATOM 230 O ARG A 16 6.188 0.381 -0.171 1.00 0.00 O +ATOM 231 CB ARG A 16 6.295 -0.134 -3.247 1.00 0.00 C +ATOM 232 CG ARG A 16 5.773 1.159 -3.895 1.00 0.00 C +ATOM 233 CD ARG A 16 4.638 0.926 -4.896 1.00 0.00 C +ATOM 234 NE ARG A 16 5.119 0.301 -6.142 1.00 0.00 N +ATOM 235 CZ ARG A 16 4.470 0.248 -7.298 1.00 0.00 C +ATOM 236 NH1 ARG A 16 3.270 0.763 -7.440 1.00 0.00 N +ATOM 237 NH2 ARG A 16 5.020 -0.326 -8.342 1.00 0.00 N +ATOM 238 H ARG A 16 7.569 -2.007 -2.081 1.00 0.00 H +ATOM 239 HA ARG A 16 8.207 0.703 -2.701 1.00 0.00 H +ATOM 240 HB2 ARG A 16 6.686 -0.773 -4.015 1.00 0.00 H +ATOM 241 HB3 ARG A 16 5.468 -0.652 -2.755 1.00 0.00 H +ATOM 242 HG2 ARG A 16 5.414 1.807 -3.119 1.00 0.00 H +ATOM 243 HG3 ARG A 16 6.591 1.664 -4.410 1.00 0.00 H +ATOM 244 HD2 ARG A 16 3.906 0.283 -4.446 1.00 0.00 H +ATOM 245 HD3 ARG A 16 4.201 1.899 -5.127 1.00 0.00 H +ATOM 246 HE ARG A 16 6.032 -0.122 -6.114 1.00 0.00 H +ATOM 247 HH11 ARG A 16 2.845 1.192 -6.637 1.00 0.00 H +ATOM 248 HH12 ARG A 16 2.779 0.716 -8.314 1.00 0.00 H +ATOM 249 HH21 ARG A 16 5.933 -0.740 -8.273 1.00 0.00 H +ATOM 250 HH22 ARG A 16 4.520 -0.368 -9.211 1.00 0.00 H +ATOM 251 N PRO A 17 7.105 2.288 -0.945 1.00 0.00 N +ATOM 252 CA PRO A 17 6.592 3.134 0.139 1.00 0.00 C +ATOM 253 C PRO A 17 5.058 3.310 0.093 1.00 0.00 C +ATOM 254 O PRO A 17 4.451 3.102 -0.962 1.00 0.00 O +ATOM 255 CB PRO A 17 7.309 4.480 -0.034 1.00 0.00 C +ATOM 256 CG PRO A 17 7.588 4.545 -1.531 1.00 0.00 C +ATOM 257 CD PRO A 17 7.889 3.089 -1.878 1.00 0.00 C +ATOM 258 HA PRO A 17 6.871 2.694 1.095 1.00 0.00 H +ATOM 259 HB2 PRO A 17 6.679 5.292 0.274 1.00 0.00 H +ATOM 260 HB3 PRO A 17 8.253 4.460 0.511 1.00 0.00 H +ATOM 261 HG2 PRO A 17 6.731 4.902 -2.069 1.00 0.00 H +ATOM 262 HG3 PRO A 17 8.431 5.198 -1.763 1.00 0.00 H +ATOM 263 HD2 PRO A 17 7.597 2.878 -2.889 1.00 0.00 H +ATOM 264 HD3 PRO A 17 8.949 2.883 -1.728 1.00 0.00 H +ATOM 265 N PRO A 18 4.425 3.724 1.211 1.00 0.00 N +ATOM 266 CA PRO A 18 2.983 3.945 1.275 1.00 0.00 C +ATOM 267 C PRO A 18 2.554 5.198 0.492 1.00 0.00 C +ATOM 268 O PRO A 18 3.293 6.183 0.449 1.00 0.00 O +ATOM 269 CB PRO A 18 2.654 4.089 2.764 1.00 0.00 C +ATOM 270 CG PRO A 18 3.948 4.624 3.370 1.00 0.00 C +ATOM 271 CD PRO A 18 5.036 3.983 2.507 1.00 0.00 C +ATOM 272 HA PRO A 18 2.476 3.068 0.878 1.00 0.00 H +ATOM 273 HB2 PRO A 18 1.847 4.781 2.913 1.00 0.00 H +ATOM 274 HB3 PRO A 18 2.438 3.109 3.186 1.00 0.00 H +ATOM 275 HG2 PRO A 18 3.988 5.694 3.306 1.00 0.00 H +ATOM 276 HG3 PRO A 18 4.049 4.343 4.419 1.00 0.00 H +ATOM 277 HD2 PRO A 18 5.868 4.652 2.399 1.00 0.00 H +ATOM 278 HD3 PRO A 18 5.351 3.039 2.955 1.00 0.00 H +ATOM 279 N PRO A 19 1.342 5.203 -0.093 1.00 0.00 N +ATOM 280 CA PRO A 19 0.805 6.357 -0.803 1.00 0.00 C +ATOM 281 C PRO A 19 0.320 7.423 0.190 1.00 0.00 C +ATOM 282 O PRO A 19 -0.257 7.100 1.229 1.00 0.00 O +ATOM 283 CB PRO A 19 -0.339 5.795 -1.648 1.00 0.00 C +ATOM 284 CG PRO A 19 -0.864 4.631 -0.807 1.00 0.00 C +ATOM 285 CD PRO A 19 0.380 4.112 -0.089 1.00 0.00 C +ATOM 286 HA PRO A 19 1.566 6.787 -1.457 1.00 0.00 H +ATOM 287 HB2 PRO A 19 -1.102 6.533 -1.800 1.00 0.00 H +ATOM 288 HB3 PRO A 19 0.063 5.409 -2.586 1.00 0.00 H +ATOM 289 HG2 PRO A 19 -1.599 4.969 -0.102 1.00 0.00 H +ATOM 290 HG3 PRO A 19 -1.304 3.856 -1.430 1.00 0.00 H +ATOM 291 HD2 PRO A 19 0.138 3.834 0.919 1.00 0.00 H +ATOM 292 HD3 PRO A 19 0.800 3.273 -0.642 1.00 0.00 H +ATOM 293 N SER A 20 0.540 8.696 -0.154 1.00 0.00 N +ATOM 294 CA SER A 20 0.107 9.883 0.597 1.00 0.00 C +ATOM 295 C SER A 20 -0.517 10.892 -0.359 1.00 0.00 C +ATOM 296 O SER A 20 0.173 11.221 -1.351 1.00 0.00 O +ATOM 297 CB SER A 20 1.287 10.518 1.338 1.00 0.00 C +ATOM 298 OG SER A 20 1.823 9.586 2.254 1.00 0.00 O +ATOM 299 OXT SER A 20 -1.676 11.275 -0.100 1.00 0.00 O +ATOM 300 H SER A 20 0.976 8.906 -1.042 1.00 0.00 H +ATOM 301 HA SER A 20 -0.660 9.612 1.323 1.00 0.00 H +ATOM 302 HB2 SER A 20 2.043 10.801 0.631 1.00 0.00 H +ATOM 303 HB3 SER A 20 0.947 11.404 1.878 1.00 0.00 H +ATOM 304 HG SER A 20 1.894 8.744 1.792 1.00 0.00 H +TER 305 SER A 20 +ENDMDL +MODEL 12 +ATOM 1 N ASN A 1 -4.775 8.349 0.978 1.00 0.00 N +ATOM 2 CA ASN A 1 -5.666 7.501 0.145 1.00 0.00 C +ATOM 3 C ASN A 1 -4.883 6.315 -0.422 1.00 0.00 C +ATOM 4 O ASN A 1 -3.710 6.189 -0.099 1.00 0.00 O +ATOM 5 CB ASN A 1 -6.368 8.312 -0.963 1.00 0.00 C +ATOM 6 CG ASN A 1 -7.731 7.695 -1.245 1.00 0.00 C +ATOM 7 OD1 ASN A 1 -8.561 7.621 -0.357 1.00 0.00 O +ATOM 8 ND2 ASN A 1 -7.984 7.161 -2.427 1.00 0.00 N +ATOM 9 H1 ASN A 1 -4.291 7.782 1.665 1.00 0.00 H +ATOM 10 H2 ASN A 1 -4.059 8.774 0.407 1.00 0.00 H +ATOM 11 H3 ASN A 1 -5.305 9.067 1.452 1.00 0.00 H +ATOM 12 HA ASN A 1 -6.445 7.096 0.797 1.00 0.00 H +ATOM 13 HB2 ASN A 1 -6.493 9.328 -0.640 1.00 0.00 H +ATOM 14 HB3 ASN A 1 -5.758 8.337 -1.869 1.00 0.00 H +ATOM 15 HD21 ASN A 1 -7.370 7.224 -3.224 1.00 0.00 H +ATOM 16 HD22 ASN A 1 -8.930 6.818 -2.517 1.00 0.00 H +ATOM 17 N LEU A 2 -5.505 5.439 -1.230 1.00 0.00 N +ATOM 18 CA LEU A 2 -4.870 4.301 -1.933 1.00 0.00 C +ATOM 19 C LEU A 2 -4.253 3.217 -1.013 1.00 0.00 C +ATOM 20 O LEU A 2 -3.725 2.212 -1.488 1.00 0.00 O +ATOM 21 CB LEU A 2 -3.879 4.858 -2.987 1.00 0.00 C +ATOM 22 CG LEU A 2 -3.862 4.103 -4.338 1.00 0.00 C +ATOM 23 CD1 LEU A 2 -3.942 5.102 -5.500 1.00 0.00 C +ATOM 24 CD2 LEU A 2 -2.594 3.266 -4.529 1.00 0.00 C +ATOM 25 H LEU A 2 -6.484 5.595 -1.443 1.00 0.00 H +ATOM 26 HA LEU A 2 -5.671 3.797 -2.474 1.00 0.00 H +ATOM 27 HB2 LEU A 2 -4.141 5.880 -3.181 1.00 0.00 H +ATOM 28 HB3 LEU A 2 -2.875 4.881 -2.566 1.00 0.00 H +ATOM 29 HG LEU A 2 -4.728 3.445 -4.407 1.00 0.00 H +ATOM 30 HD11 LEU A 2 -4.863 5.680 -5.430 1.00 0.00 H +ATOM 31 HD12 LEU A 2 -3.088 5.780 -5.472 1.00 0.00 H +ATOM 32 HD13 LEU A 2 -3.942 4.567 -6.450 1.00 0.00 H +ATOM 33 HD21 LEU A 2 -1.714 3.909 -4.532 1.00 0.00 H +ATOM 34 HD22 LEU A 2 -2.501 2.537 -3.726 1.00 0.00 H +ATOM 35 HD23 LEU A 2 -2.650 2.733 -5.479 1.00 0.00 H +ATOM 36 N TYR A 3 -4.358 3.387 0.311 1.00 0.00 N +ATOM 37 CA TYR A 3 -3.724 2.561 1.334 1.00 0.00 C +ATOM 38 C TYR A 3 -4.131 1.084 1.243 1.00 0.00 C +ATOM 39 O TYR A 3 -3.272 0.213 1.349 1.00 0.00 O +ATOM 40 CB TYR A 3 -4.034 3.171 2.713 1.00 0.00 C +ATOM 41 CG TYR A 3 -3.135 2.703 3.842 1.00 0.00 C +ATOM 42 CD1 TYR A 3 -1.737 2.851 3.727 1.00 0.00 C +ATOM 43 CD2 TYR A 3 -3.685 2.171 5.024 1.00 0.00 C +ATOM 44 CE1 TYR A 3 -0.891 2.412 4.759 1.00 0.00 C +ATOM 45 CE2 TYR A 3 -2.842 1.741 6.067 1.00 0.00 C +ATOM 46 CZ TYR A 3 -1.438 1.829 5.920 1.00 0.00 C +ATOM 47 OH TYR A 3 -0.611 1.332 6.879 1.00 0.00 O +ATOM 48 H TYR A 3 -4.748 4.266 0.609 1.00 0.00 H +ATOM 49 HA TYR A 3 -2.648 2.608 1.169 1.00 0.00 H +ATOM 50 HB2 TYR A 3 -3.940 4.237 2.633 1.00 0.00 H +ATOM 51 HB3 TYR A 3 -5.076 2.964 2.965 1.00 0.00 H +ATOM 52 HD1 TYR A 3 -1.301 3.304 2.848 1.00 0.00 H +ATOM 53 HD2 TYR A 3 -4.757 2.089 5.139 1.00 0.00 H +ATOM 54 HE1 TYR A 3 0.181 2.515 4.674 1.00 0.00 H +ATOM 55 HE2 TYR A 3 -3.268 1.331 6.971 1.00 0.00 H +ATOM 56 HH TYR A 3 -1.077 0.804 7.527 1.00 0.00 H +ATOM 57 N ILE A 4 -5.411 0.798 0.958 1.00 0.00 N +ATOM 58 CA ILE A 4 -5.929 -0.561 0.735 1.00 0.00 C +ATOM 59 C ILE A 4 -5.151 -1.265 -0.392 1.00 0.00 C +ATOM 60 O ILE A 4 -4.770 -2.424 -0.234 1.00 0.00 O +ATOM 61 CB ILE A 4 -7.448 -0.558 0.412 1.00 0.00 C +ATOM 62 CG1 ILE A 4 -8.318 0.310 1.355 1.00 0.00 C +ATOM 63 CG2 ILE A 4 -8.010 -2.000 0.433 1.00 0.00 C +ATOM 64 CD1 ILE A 4 -8.502 1.763 0.894 1.00 0.00 C +ATOM 65 H ILE A 4 -6.043 1.576 0.880 1.00 0.00 H +ATOM 66 HA ILE A 4 -5.774 -1.132 1.651 1.00 0.00 H +ATOM 67 HB ILE A 4 -7.573 -0.182 -0.605 1.00 0.00 H +ATOM 68 HG12 ILE A 4 -9.288 -0.144 1.429 1.00 0.00 H +ATOM 69 HG13 ILE A 4 -7.900 0.296 2.364 1.00 0.00 H +ATOM 70 HG21 ILE A 4 -7.241 -2.738 0.216 1.00 0.00 H +ATOM 71 HG22 ILE A 4 -8.427 -2.236 1.414 1.00 0.00 H +ATOM 72 HG23 ILE A 4 -8.799 -2.084 -0.315 1.00 0.00 H +ATOM 73 HD11 ILE A 4 -7.575 2.327 0.979 1.00 0.00 H +ATOM 74 HD12 ILE A 4 -8.846 1.782 -0.141 1.00 0.00 H +ATOM 75 HD13 ILE A 4 -9.256 2.242 1.519 1.00 0.00 H +ATOM 76 N GLN A 5 -4.901 -0.573 -1.513 1.00 0.00 N +ATOM 77 CA GLN A 5 -4.125 -1.106 -2.634 1.00 0.00 C +ATOM 78 C GLN A 5 -2.693 -1.437 -2.204 1.00 0.00 C +ATOM 79 O GLN A 5 -2.251 -2.565 -2.402 1.00 0.00 O +ATOM 80 CB GLN A 5 -4.128 -0.128 -3.830 1.00 0.00 C +ATOM 81 CG GLN A 5 -5.010 -0.590 -5.001 1.00 0.00 C +ATOM 82 CD GLN A 5 -4.334 -0.299 -6.339 1.00 0.00 C +ATOM 83 OE1 GLN A 5 -4.559 0.724 -6.965 1.00 0.00 O +ATOM 84 NE2 GLN A 5 -3.468 -1.181 -6.803 1.00 0.00 N +ATOM 85 H GLN A 5 -5.142 0.409 -1.535 1.00 0.00 H +ATOM 86 HA GLN A 5 -4.578 -2.049 -2.940 1.00 0.00 H +ATOM 87 HB2 GLN A 5 -4.488 0.824 -3.489 1.00 0.00 H +ATOM 88 HB3 GLN A 5 -3.103 -0.020 -4.191 1.00 0.00 H +ATOM 89 HG2 GLN A 5 -5.182 -1.646 -4.916 1.00 0.00 H +ATOM 90 HG3 GLN A 5 -5.966 -0.069 -4.961 1.00 0.00 H +ATOM 91 HE21 GLN A 5 -3.220 -2.017 -6.300 1.00 0.00 H +ATOM 92 HE22 GLN A 5 -3.046 -0.932 -7.681 1.00 0.00 H +ATOM 93 N TRP A 6 -1.990 -0.483 -1.580 1.00 0.00 N +ATOM 94 CA TRP A 6 -0.617 -0.690 -1.102 1.00 0.00 C +ATOM 95 C TRP A 6 -0.505 -1.806 -0.047 1.00 0.00 C +ATOM 96 O TRP A 6 0.434 -2.605 -0.072 1.00 0.00 O +ATOM 97 CB TRP A 6 -0.075 0.634 -0.556 1.00 0.00 C +ATOM 98 CG TRP A 6 1.309 0.540 0.003 1.00 0.00 C +ATOM 99 CD1 TRP A 6 2.446 0.522 -0.728 1.00 0.00 C +ATOM 100 CD2 TRP A 6 1.725 0.405 1.396 1.00 0.00 C +ATOM 101 NE1 TRP A 6 3.531 0.366 0.112 1.00 0.00 N +ATOM 102 CE2 TRP A 6 3.148 0.312 1.431 1.00 0.00 C +ATOM 103 CE3 TRP A 6 1.050 0.354 2.636 1.00 0.00 C +ATOM 104 CZ2 TRP A 6 3.871 0.207 2.626 1.00 0.00 C +ATOM 105 CZ3 TRP A 6 1.766 0.241 3.845 1.00 0.00 C +ATOM 106 CH2 TRP A 6 3.172 0.180 3.843 1.00 0.00 C +ATOM 107 H TRP A 6 -2.436 0.418 -1.445 1.00 0.00 H +ATOM 108 HA TRP A 6 0.001 -0.996 -1.948 1.00 0.00 H +ATOM 109 HB2 TRP A 6 -0.069 1.351 -1.354 1.00 0.00 H +ATOM 110 HB3 TRP A 6 -0.741 0.996 0.231 1.00 0.00 H +ATOM 111 HD1 TRP A 6 2.490 0.606 -1.806 1.00 0.00 H +ATOM 112 HE1 TRP A 6 4.506 0.317 -0.195 1.00 0.00 H +ATOM 113 HE3 TRP A 6 -0.028 0.413 2.652 1.00 0.00 H +ATOM 114 HZ2 TRP A 6 4.948 0.144 2.596 1.00 0.00 H +ATOM 115 HZ3 TRP A 6 1.233 0.211 4.786 1.00 0.00 H +ATOM 116 HH2 TRP A 6 3.712 0.109 4.775 1.00 0.00 H +ATOM 117 N LEU A 7 -1.478 -1.903 0.868 1.00 0.00 N +ATOM 118 CA LEU A 7 -1.565 -3.023 1.803 1.00 0.00 C +ATOM 119 C LEU A 7 -1.788 -4.359 1.077 1.00 0.00 C +ATOM 120 O LEU A 7 -1.184 -5.351 1.478 1.00 0.00 O +ATOM 121 CB LEU A 7 -2.659 -2.772 2.854 1.00 0.00 C +ATOM 122 CG LEU A 7 -2.323 -1.690 3.899 1.00 0.00 C +ATOM 123 CD1 LEU A 7 -3.521 -1.550 4.842 1.00 0.00 C +ATOM 124 CD2 LEU A 7 -1.085 -2.027 4.739 1.00 0.00 C +ATOM 125 H LEU A 7 -2.200 -1.184 0.892 1.00 0.00 H +ATOM 126 HA LEU A 7 -0.606 -3.120 2.310 1.00 0.00 H +ATOM 127 HB2 LEU A 7 -3.552 -2.472 2.340 1.00 0.00 H +ATOM 128 HB3 LEU A 7 -2.840 -3.707 3.385 1.00 0.00 H +ATOM 129 HG LEU A 7 -2.150 -0.733 3.410 1.00 0.00 H +ATOM 130 HD11 LEU A 7 -4.397 -1.228 4.278 1.00 0.00 H +ATOM 131 HD12 LEU A 7 -3.729 -2.502 5.330 1.00 0.00 H +ATOM 132 HD13 LEU A 7 -3.305 -0.807 5.605 1.00 0.00 H +ATOM 133 HD21 LEU A 7 -1.199 -3.007 5.202 1.00 0.00 H +ATOM 134 HD22 LEU A 7 -0.194 -2.019 4.114 1.00 0.00 H +ATOM 135 HD23 LEU A 7 -0.952 -1.273 5.515 1.00 0.00 H +ATOM 136 N LYS A 8 -2.578 -4.390 -0.010 1.00 0.00 N +ATOM 137 CA LYS A 8 -2.803 -5.590 -0.835 1.00 0.00 C +ATOM 138 C LYS A 8 -1.523 -6.177 -1.436 1.00 0.00 C +ATOM 139 O LYS A 8 -1.444 -7.395 -1.565 1.00 0.00 O +ATOM 140 CB LYS A 8 -3.841 -5.306 -1.943 1.00 0.00 C +ATOM 141 CG LYS A 8 -5.102 -6.183 -1.820 1.00 0.00 C +ATOM 142 CD LYS A 8 -6.388 -5.360 -1.964 1.00 0.00 C +ATOM 143 CE LYS A 8 -7.575 -6.172 -1.439 1.00 0.00 C +ATOM 144 NZ LYS A 8 -8.803 -5.348 -1.365 1.00 0.00 N +ATOM 145 H LYS A 8 -3.058 -3.531 -0.269 1.00 0.00 H +ATOM 146 HA LYS A 8 -3.176 -6.367 -0.170 1.00 0.00 H +ATOM 147 HB2 LYS A 8 -4.133 -4.275 -1.883 1.00 0.00 H +ATOM 148 HB3 LYS A 8 -3.394 -5.473 -2.925 1.00 0.00 H +ATOM 149 HG2 LYS A 8 -5.081 -6.931 -2.589 1.00 0.00 H +ATOM 150 HG3 LYS A 8 -5.122 -6.674 -0.847 1.00 0.00 H +ATOM 151 HD2 LYS A 8 -6.297 -4.453 -1.399 1.00 0.00 H +ATOM 152 HD3 LYS A 8 -6.539 -5.092 -3.010 1.00 0.00 H +ATOM 153 HE2 LYS A 8 -7.750 -7.001 -2.098 1.00 0.00 H +ATOM 154 HE3 LYS A 8 -7.320 -6.540 -0.441 1.00 0.00 H +ATOM 155 HZ1 LYS A 8 -8.641 -4.541 -0.776 1.00 0.00 H +ATOM 156 HZ2 LYS A 8 -9.066 -5.030 -2.289 1.00 0.00 H +ATOM 157 HZ3 LYS A 8 -9.564 -5.888 -0.973 1.00 0.00 H +ATOM 158 N ASP A 9 -0.517 -5.351 -1.751 1.00 0.00 N +ATOM 159 CA ASP A 9 0.810 -5.841 -2.151 1.00 0.00 C +ATOM 160 C ASP A 9 1.554 -6.575 -1.011 1.00 0.00 C +ATOM 161 O ASP A 9 2.438 -7.380 -1.298 1.00 0.00 O +ATOM 162 CB ASP A 9 1.696 -4.676 -2.632 1.00 0.00 C +ATOM 163 CG ASP A 9 1.245 -3.986 -3.921 1.00 0.00 C +ATOM 164 OD1 ASP A 9 1.597 -4.502 -5.006 1.00 0.00 O +ATOM 165 OD2 ASP A 9 0.666 -2.883 -3.811 1.00 0.00 O +ATOM 166 H ASP A 9 -0.685 -4.351 -1.702 1.00 0.00 H +ATOM 167 HA ASP A 9 0.696 -6.548 -2.974 1.00 0.00 H +ATOM 168 HB2 ASP A 9 1.720 -3.937 -1.854 1.00 0.00 H +ATOM 169 HB3 ASP A 9 2.698 -5.068 -2.815 1.00 0.00 H +ATOM 170 N GLY A 10 1.225 -6.295 0.263 1.00 0.00 N +ATOM 171 CA GLY A 10 1.982 -6.737 1.446 1.00 0.00 C +ATOM 172 C GLY A 10 2.507 -5.606 2.352 1.00 0.00 C +ATOM 173 O GLY A 10 3.317 -5.867 3.245 1.00 0.00 O +ATOM 174 H GLY A 10 0.375 -5.762 0.424 1.00 0.00 H +ATOM 175 HA2 GLY A 10 1.336 -7.376 2.049 1.00 0.00 H +ATOM 176 HA3 GLY A 10 2.840 -7.334 1.133 1.00 0.00 H +ATOM 177 N GLY A 11 2.078 -4.353 2.136 1.00 0.00 N +ATOM 178 CA GLY A 11 2.489 -3.194 2.933 1.00 0.00 C +ATOM 179 C GLY A 11 4.018 -3.015 3.017 1.00 0.00 C +ATOM 180 O GLY A 11 4.676 -2.975 1.975 1.00 0.00 O +ATOM 181 H GLY A 11 1.434 -4.188 1.373 1.00 0.00 H +ATOM 182 HA2 GLY A 11 2.070 -2.296 2.478 1.00 0.00 H +ATOM 183 HA3 GLY A 11 2.056 -3.301 3.926 1.00 0.00 H +ATOM 184 N PRO A 12 4.624 -2.897 4.222 1.00 0.00 N +ATOM 185 CA PRO A 12 6.074 -2.717 4.372 1.00 0.00 C +ATOM 186 C PRO A 12 6.928 -3.824 3.735 1.00 0.00 C +ATOM 187 O PRO A 12 8.086 -3.582 3.404 1.00 0.00 O +ATOM 188 CB PRO A 12 6.342 -2.659 5.880 1.00 0.00 C +ATOM 189 CG PRO A 12 4.997 -2.271 6.487 1.00 0.00 C +ATOM 190 CD PRO A 12 3.985 -2.895 5.530 1.00 0.00 C +ATOM 191 HA PRO A 12 6.352 -1.763 3.924 1.00 0.00 H +ATOM 192 HB2 PRO A 12 6.663 -3.615 6.246 1.00 0.00 H +ATOM 193 HB3 PRO A 12 7.115 -1.929 6.121 1.00 0.00 H +ATOM 194 HG2 PRO A 12 4.891 -2.675 7.475 1.00 0.00 H +ATOM 195 HG3 PRO A 12 4.893 -1.186 6.477 1.00 0.00 H +ATOM 196 HD2 PRO A 12 3.753 -3.898 5.834 1.00 0.00 H +ATOM 197 HD3 PRO A 12 3.065 -2.308 5.536 1.00 0.00 H +ATOM 198 N SER A 13 6.371 -5.030 3.550 1.00 0.00 N +ATOM 199 CA SER A 13 7.084 -6.170 2.958 1.00 0.00 C +ATOM 200 C SER A 13 7.083 -6.156 1.418 1.00 0.00 C +ATOM 201 O SER A 13 7.625 -7.072 0.804 1.00 0.00 O +ATOM 202 CB SER A 13 6.515 -7.484 3.508 1.00 0.00 C +ATOM 203 OG SER A 13 6.707 -7.539 4.910 1.00 0.00 O +ATOM 204 H SER A 13 5.380 -5.139 3.743 1.00 0.00 H +ATOM 205 HA SER A 13 8.130 -6.125 3.264 1.00 0.00 H +ATOM 206 HB2 SER A 13 5.466 -7.537 3.290 1.00 0.00 H +ATOM 207 HB3 SER A 13 7.033 -8.329 3.054 1.00 0.00 H +ATOM 208 HG SER A 13 6.297 -6.766 5.305 1.00 0.00 H +ATOM 209 N SER A 14 6.505 -5.124 0.784 1.00 0.00 N +ATOM 210 CA SER A 14 6.326 -5.021 -0.674 1.00 0.00 C +ATOM 211 C SER A 14 7.445 -4.276 -1.413 1.00 0.00 C +ATOM 212 O SER A 14 7.363 -4.116 -2.632 1.00 0.00 O +ATOM 213 CB SER A 14 5.029 -4.263 -0.971 1.00 0.00 C +ATOM 214 OG SER A 14 3.953 -4.822 -0.267 1.00 0.00 O +ATOM 215 H SER A 14 6.012 -4.435 1.345 1.00 0.00 H +ATOM 216 HA SER A 14 6.241 -6.022 -1.098 1.00 0.00 H +ATOM 217 HB2 SER A 14 5.146 -3.237 -0.678 1.00 0.00 H +ATOM 218 HB3 SER A 14 4.818 -4.312 -2.040 1.00 0.00 H +ATOM 219 HG SER A 14 3.220 -4.203 -0.295 1.00 0.00 H +ATOM 220 N GLY A 15 8.438 -3.724 -0.707 1.00 0.00 N +ATOM 221 CA GLY A 15 9.507 -2.889 -1.274 1.00 0.00 C +ATOM 222 C GLY A 15 9.063 -1.480 -1.708 1.00 0.00 C +ATOM 223 O GLY A 15 9.798 -0.518 -1.489 1.00 0.00 O +ATOM 224 H GLY A 15 8.430 -3.884 0.291 1.00 0.00 H +ATOM 225 HA2 GLY A 15 10.304 -2.784 -0.538 1.00 0.00 H +ATOM 226 HA3 GLY A 15 9.927 -3.393 -2.147 1.00 0.00 H +ATOM 227 N ARG A 16 7.872 -1.340 -2.309 1.00 0.00 N +ATOM 228 CA ARG A 16 7.271 -0.051 -2.694 1.00 0.00 C +ATOM 229 C ARG A 16 6.858 0.790 -1.462 1.00 0.00 C +ATOM 230 O ARG A 16 6.260 0.241 -0.533 1.00 0.00 O +ATOM 231 CB ARG A 16 6.089 -0.273 -3.662 1.00 0.00 C +ATOM 232 CG ARG A 16 4.953 -1.164 -3.120 1.00 0.00 C +ATOM 233 CD ARG A 16 3.733 -1.249 -4.050 1.00 0.00 C +ATOM 234 NE ARG A 16 4.008 -2.020 -5.278 1.00 0.00 N +ATOM 235 CZ ARG A 16 4.304 -1.553 -6.487 1.00 0.00 C +ATOM 236 NH1 ARG A 16 4.332 -0.266 -6.751 1.00 0.00 N +ATOM 237 NH2 ARG A 16 4.584 -2.382 -7.463 1.00 0.00 N +ATOM 238 H ARG A 16 7.380 -2.207 -2.502 1.00 0.00 H +ATOM 239 HA ARG A 16 8.042 0.496 -3.233 1.00 0.00 H +ATOM 240 HB2 ARG A 16 5.672 0.686 -3.902 1.00 0.00 H +ATOM 241 HB3 ARG A 16 6.479 -0.726 -4.575 1.00 0.00 H +ATOM 242 HG2 ARG A 16 5.339 -2.155 -2.977 1.00 0.00 H +ATOM 243 HG3 ARG A 16 4.607 -0.763 -2.173 1.00 0.00 H +ATOM 244 HD2 ARG A 16 2.929 -1.722 -3.520 1.00 0.00 H +ATOM 245 HD3 ARG A 16 3.380 -0.245 -4.284 1.00 0.00 H +ATOM 246 HE ARG A 16 3.860 -3.017 -5.208 1.00 0.00 H +ATOM 247 HH11 ARG A 16 4.070 0.367 -6.019 1.00 0.00 H +ATOM 248 HH12 ARG A 16 4.528 0.072 -7.675 1.00 0.00 H +ATOM 249 HH21 ARG A 16 4.555 -3.374 -7.290 1.00 0.00 H +ATOM 250 HH22 ARG A 16 4.810 -2.036 -8.376 1.00 0.00 H +ATOM 251 N PRO A 17 7.111 2.116 -1.447 1.00 0.00 N +ATOM 252 CA PRO A 17 6.730 2.992 -0.332 1.00 0.00 C +ATOM 253 C PRO A 17 5.203 3.215 -0.255 1.00 0.00 C +ATOM 254 O PRO A 17 4.512 3.033 -1.262 1.00 0.00 O +ATOM 255 CB PRO A 17 7.472 4.309 -0.592 1.00 0.00 C +ATOM 256 CG PRO A 17 7.586 4.354 -2.114 1.00 0.00 C +ATOM 257 CD PRO A 17 7.780 2.885 -2.487 1.00 0.00 C +ATOM 258 HA PRO A 17 7.081 2.557 0.604 1.00 0.00 H +ATOM 259 HB2 PRO A 17 6.910 5.146 -0.224 1.00 0.00 H +ATOM 260 HB3 PRO A 17 8.471 4.256 -0.155 1.00 0.00 H +ATOM 261 HG2 PRO A 17 6.692 4.750 -2.556 1.00 0.00 H +ATOM 262 HG3 PRO A 17 8.426 4.969 -2.440 1.00 0.00 H +ATOM 263 HD2 PRO A 17 7.339 2.682 -3.444 1.00 0.00 H +ATOM 264 HD3 PRO A 17 8.845 2.645 -2.487 1.00 0.00 H +ATOM 265 N PRO A 18 4.666 3.621 0.914 1.00 0.00 N +ATOM 266 CA PRO A 18 3.235 3.860 1.094 1.00 0.00 C +ATOM 267 C PRO A 18 2.748 5.165 0.425 1.00 0.00 C +ATOM 268 O PRO A 18 3.529 6.100 0.248 1.00 0.00 O +ATOM 269 CB PRO A 18 3.024 3.899 2.612 1.00 0.00 C +ATOM 270 CG PRO A 18 4.361 4.406 3.146 1.00 0.00 C +ATOM 271 CD PRO A 18 5.372 3.796 2.177 1.00 0.00 C +ATOM 272 HA PRO A 18 2.688 3.015 0.682 1.00 0.00 H +ATOM 273 HB2 PRO A 18 2.228 4.570 2.871 1.00 0.00 H +ATOM 274 HB3 PRO A 18 2.846 2.890 2.983 1.00 0.00 H +ATOM 275 HG2 PRO A 18 4.404 5.478 3.124 1.00 0.00 H +ATOM 276 HG3 PRO A 18 4.538 4.078 4.171 1.00 0.00 H +ATOM 277 HD2 PRO A 18 6.209 4.455 2.048 1.00 0.00 H +ATOM 278 HD3 PRO A 18 5.693 2.821 2.549 1.00 0.00 H +ATOM 279 N PRO A 19 1.443 5.263 0.091 1.00 0.00 N +ATOM 280 CA PRO A 19 0.813 6.446 -0.514 1.00 0.00 C +ATOM 281 C PRO A 19 0.366 7.514 0.505 1.00 0.00 C +ATOM 282 O PRO A 19 -0.168 8.563 0.135 1.00 0.00 O +ATOM 283 CB PRO A 19 -0.418 5.883 -1.228 1.00 0.00 C +ATOM 284 CG PRO A 19 -0.852 4.754 -0.291 1.00 0.00 C +ATOM 285 CD PRO A 19 0.481 4.171 0.160 1.00 0.00 C +ATOM 286 HA PRO A 19 1.483 6.910 -1.240 1.00 0.00 H +ATOM 287 HB2 PRO A 19 -1.186 6.626 -1.322 1.00 0.00 H +ATOM 288 HB3 PRO A 19 -0.127 5.468 -2.194 1.00 0.00 H +ATOM 289 HG2 PRO A 19 -1.411 5.134 0.542 1.00 0.00 H +ATOM 290 HG3 PRO A 19 -1.463 4.012 -0.801 1.00 0.00 H +ATOM 291 HD2 PRO A 19 0.406 3.804 1.165 1.00 0.00 H +ATOM 292 HD3 PRO A 19 0.786 3.388 -0.533 1.00 0.00 H +ATOM 293 N SER A 20 0.475 7.235 1.804 1.00 0.00 N +ATOM 294 CA SER A 20 0.117 8.121 2.917 1.00 0.00 C +ATOM 295 C SER A 20 0.951 7.740 4.134 1.00 0.00 C +ATOM 296 O SER A 20 1.145 6.518 4.316 1.00 0.00 O +ATOM 297 CB SER A 20 -1.376 8.004 3.229 1.00 0.00 C +ATOM 298 OG SER A 20 -2.078 8.526 2.113 1.00 0.00 O +ATOM 299 OXT SER A 20 1.384 8.682 4.830 1.00 0.00 O +ATOM 300 H SER A 20 0.881 6.355 2.097 1.00 0.00 H +ATOM 301 HA SER A 20 0.361 9.155 2.677 1.00 0.00 H +ATOM 302 HB2 SER A 20 -1.640 6.975 3.382 1.00 0.00 H +ATOM 303 HB3 SER A 20 -1.610 8.576 4.131 1.00 0.00 H +ATOM 304 HG SER A 20 -1.383 8.683 1.436 1.00 0.00 H +TER 305 SER A 20 +ENDMDL +MODEL 13 +ATOM 1 N ASN A 1 -7.908 6.785 -1.311 1.00 0.00 N +ATOM 2 CA ASN A 1 -7.019 6.327 -0.216 1.00 0.00 C +ATOM 3 C ASN A 1 -5.683 5.747 -0.661 1.00 0.00 C +ATOM 4 O ASN A 1 -4.708 6.050 0.013 1.00 0.00 O +ATOM 5 CB ASN A 1 -7.728 5.352 0.732 1.00 0.00 C +ATOM 6 CG ASN A 1 -8.620 6.137 1.676 1.00 0.00 C +ATOM 7 OD1 ASN A 1 -9.560 6.770 1.223 1.00 0.00 O +ATOM 8 ND2 ASN A 1 -8.313 6.173 2.959 1.00 0.00 N +ATOM 9 H1 ASN A 1 -7.434 7.466 -1.890 1.00 0.00 H +ATOM 10 H2 ASN A 1 -8.205 6.004 -1.879 1.00 0.00 H +ATOM 11 H3 ASN A 1 -8.733 7.210 -0.902 1.00 0.00 H +ATOM 12 HA ASN A 1 -6.754 7.204 0.378 1.00 0.00 H +ATOM 13 HB2 ASN A 1 -8.324 4.666 0.162 1.00 0.00 H +ATOM 14 HB3 ASN A 1 -6.996 4.787 1.311 1.00 0.00 H +ATOM 15 HD21 ASN A 1 -7.513 5.701 3.351 1.00 0.00 H +ATOM 16 HD22 ASN A 1 -8.923 6.730 3.536 1.00 0.00 H +ATOM 17 N LEU A 2 -5.615 4.880 -1.688 1.00 0.00 N +ATOM 18 CA LEU A 2 -4.406 4.163 -2.156 1.00 0.00 C +ATOM 19 C LEU A 2 -3.837 3.130 -1.158 1.00 0.00 C +ATOM 20 O LEU A 2 -3.364 2.071 -1.568 1.00 0.00 O +ATOM 21 CB LEU A 2 -3.322 5.161 -2.622 1.00 0.00 C +ATOM 22 CG LEU A 2 -3.769 6.069 -3.790 1.00 0.00 C +ATOM 23 CD1 LEU A 2 -3.562 7.551 -3.463 1.00 0.00 C +ATOM 24 CD2 LEU A 2 -3.001 5.730 -5.068 1.00 0.00 C +ATOM 25 H LEU A 2 -6.452 4.624 -2.189 1.00 0.00 H +ATOM 26 HA LEU A 2 -4.692 3.585 -3.037 1.00 0.00 H +ATOM 27 HB2 LEU A 2 -3.057 5.785 -1.790 1.00 0.00 H +ATOM 28 HB3 LEU A 2 -2.440 4.595 -2.923 1.00 0.00 H +ATOM 29 HG LEU A 2 -4.830 5.921 -3.991 1.00 0.00 H +ATOM 30 HD11 LEU A 2 -4.099 7.813 -2.552 1.00 0.00 H +ATOM 31 HD12 LEU A 2 -2.502 7.762 -3.318 1.00 0.00 H +ATOM 32 HD13 LEU A 2 -3.938 8.167 -4.281 1.00 0.00 H +ATOM 33 HD21 LEU A 2 -1.934 5.911 -4.924 1.00 0.00 H +ATOM 34 HD22 LEU A 2 -3.157 4.681 -5.323 1.00 0.00 H +ATOM 35 HD23 LEU A 2 -3.359 6.350 -5.889 1.00 0.00 H +ATOM 36 N TYR A 3 -3.941 3.391 0.150 1.00 0.00 N +ATOM 37 CA TYR A 3 -3.446 2.538 1.230 1.00 0.00 C +ATOM 38 C TYR A 3 -4.000 1.103 1.182 1.00 0.00 C +ATOM 39 O TYR A 3 -3.277 0.167 1.508 1.00 0.00 O +ATOM 40 CB TYR A 3 -3.738 3.210 2.583 1.00 0.00 C +ATOM 41 CG TYR A 3 -2.672 2.927 3.623 1.00 0.00 C +ATOM 42 CD1 TYR A 3 -2.765 1.788 4.444 1.00 0.00 C +ATOM 43 CD2 TYR A 3 -1.567 3.795 3.740 1.00 0.00 C +ATOM 44 CE1 TYR A 3 -1.751 1.512 5.382 1.00 0.00 C +ATOM 45 CE2 TYR A 3 -0.550 3.520 4.672 1.00 0.00 C +ATOM 46 CZ TYR A 3 -0.641 2.375 5.495 1.00 0.00 C +ATOM 47 OH TYR A 3 0.344 2.091 6.389 1.00 0.00 O +ATOM 48 H TYR A 3 -4.221 4.340 0.385 1.00 0.00 H +ATOM 49 HA TYR A 3 -2.363 2.475 1.122 1.00 0.00 H +ATOM 50 HB2 TYR A 3 -3.797 4.271 2.433 1.00 0.00 H +ATOM 51 HB3 TYR A 3 -4.711 2.883 2.955 1.00 0.00 H +ATOM 52 HD1 TYR A 3 -3.607 1.120 4.349 1.00 0.00 H +ATOM 53 HD2 TYR A 3 -1.493 4.677 3.117 1.00 0.00 H +ATOM 54 HE1 TYR A 3 -1.801 0.643 6.018 1.00 0.00 H +ATOM 55 HE2 TYR A 3 0.291 4.191 4.755 1.00 0.00 H +ATOM 56 HH TYR A 3 1.086 2.690 6.302 1.00 0.00 H +ATOM 57 N ILE A 4 -5.249 0.909 0.731 1.00 0.00 N +ATOM 58 CA ILE A 4 -5.862 -0.418 0.547 1.00 0.00 C +ATOM 59 C ILE A 4 -5.108 -1.223 -0.524 1.00 0.00 C +ATOM 60 O ILE A 4 -4.705 -2.359 -0.275 1.00 0.00 O +ATOM 61 CB ILE A 4 -7.371 -0.307 0.207 1.00 0.00 C +ATOM 62 CG1 ILE A 4 -8.145 0.575 1.218 1.00 0.00 C +ATOM 63 CG2 ILE A 4 -8.018 -1.702 0.164 1.00 0.00 C +ATOM 64 CD1 ILE A 4 -8.506 1.935 0.617 1.00 0.00 C +ATOM 65 H ILE A 4 -5.779 1.731 0.489 1.00 0.00 H +ATOM 66 HA ILE A 4 -5.769 -0.964 1.487 1.00 0.00 H +ATOM 67 HB ILE A 4 -7.472 0.126 -0.790 1.00 0.00 H +ATOM 68 HG12 ILE A 4 -9.048 0.069 1.502 1.00 0.00 H +ATOM 69 HG13 ILE A 4 -7.554 0.726 2.123 1.00 0.00 H +ATOM 70 HG21 ILE A 4 -7.562 -2.315 -0.613 1.00 0.00 H +ATOM 71 HG22 ILE A 4 -7.904 -2.200 1.127 1.00 0.00 H +ATOM 72 HG23 ILE A 4 -9.081 -1.610 -0.065 1.00 0.00 H +ATOM 73 HD11 ILE A 4 -7.611 2.423 0.233 1.00 0.00 H +ATOM 74 HD12 ILE A 4 -9.219 1.799 -0.198 1.00 0.00 H +ATOM 75 HD13 ILE A 4 -8.963 2.563 1.384 1.00 0.00 H +ATOM 76 N GLN A 5 -4.883 -0.627 -1.705 1.00 0.00 N +ATOM 77 CA GLN A 5 -4.097 -1.237 -2.779 1.00 0.00 C +ATOM 78 C GLN A 5 -2.654 -1.511 -2.339 1.00 0.00 C +ATOM 79 O GLN A 5 -2.134 -2.592 -2.614 1.00 0.00 O +ATOM 80 CB GLN A 5 -4.124 -0.349 -4.035 1.00 0.00 C +ATOM 81 CG GLN A 5 -5.446 -0.464 -4.826 1.00 0.00 C +ATOM 82 CD GLN A 5 -6.302 0.803 -4.886 1.00 0.00 C +ATOM 83 OE1 GLN A 5 -5.896 1.911 -4.564 1.00 0.00 O +ATOM 84 NE2 GLN A 5 -7.545 0.678 -5.313 1.00 0.00 N +ATOM 85 H GLN A 5 -5.163 0.337 -1.814 1.00 0.00 H +ATOM 86 HA GLN A 5 -4.533 -2.207 -3.026 1.00 0.00 H +ATOM 87 HB2 GLN A 5 -3.993 0.673 -3.735 1.00 0.00 H +ATOM 88 HB3 GLN A 5 -3.318 -0.674 -4.696 1.00 0.00 H +ATOM 89 HG2 GLN A 5 -5.203 -0.745 -5.833 1.00 0.00 H +ATOM 90 HG3 GLN A 5 -6.054 -1.268 -4.411 1.00 0.00 H +ATOM 91 HE21 GLN A 5 -7.934 -0.208 -5.587 1.00 0.00 H +ATOM 92 HE22 GLN A 5 -8.048 1.544 -5.402 1.00 0.00 H +ATOM 93 N TRP A 6 -2.027 -0.572 -1.618 1.00 0.00 N +ATOM 94 CA TRP A 6 -0.693 -0.764 -1.047 1.00 0.00 C +ATOM 95 C TRP A 6 -0.644 -1.917 -0.026 1.00 0.00 C +ATOM 96 O TRP A 6 0.231 -2.778 -0.111 1.00 0.00 O +ATOM 97 CB TRP A 6 -0.213 0.557 -0.443 1.00 0.00 C +ATOM 98 CG TRP A 6 1.169 0.505 0.124 1.00 0.00 C +ATOM 99 CD1 TRP A 6 2.314 0.542 -0.597 1.00 0.00 C +ATOM 100 CD2 TRP A 6 1.577 0.373 1.518 1.00 0.00 C +ATOM 101 NE1 TRP A 6 3.396 0.430 0.252 1.00 0.00 N +ATOM 102 CE2 TRP A 6 3.001 0.346 1.569 1.00 0.00 C +ATOM 103 CE3 TRP A 6 0.887 0.268 2.747 1.00 0.00 C +ATOM 104 CZ2 TRP A 6 3.712 0.258 2.772 1.00 0.00 C +ATOM 105 CZ3 TRP A 6 1.592 0.150 3.960 1.00 0.00 C +ATOM 106 CH2 TRP A 6 2.998 0.165 3.978 1.00 0.00 C +ATOM 107 H TRP A 6 -2.505 0.316 -1.478 1.00 0.00 H +ATOM 108 HA TRP A 6 -0.010 -1.033 -1.856 1.00 0.00 H +ATOM 109 HB2 TRP A 6 -0.234 1.306 -1.211 1.00 0.00 H +ATOM 110 HB3 TRP A 6 -0.898 0.860 0.348 1.00 0.00 H +ATOM 111 HD1 TRP A 6 2.368 0.630 -1.674 1.00 0.00 H +ATOM 112 HE1 TRP A 6 4.370 0.409 -0.063 1.00 0.00 H +ATOM 113 HE3 TRP A 6 -0.194 0.280 2.749 1.00 0.00 H +ATOM 114 HZ2 TRP A 6 4.792 0.247 2.758 1.00 0.00 H +ATOM 115 HZ3 TRP A 6 1.046 0.055 4.888 1.00 0.00 H +ATOM 116 HH2 TRP A 6 3.527 0.092 4.916 1.00 0.00 H +ATOM 117 N LEU A 7 -1.605 -2.000 0.907 1.00 0.00 N +ATOM 118 CA LEU A 7 -1.710 -3.134 1.832 1.00 0.00 C +ATOM 119 C LEU A 7 -1.929 -4.466 1.106 1.00 0.00 C +ATOM 120 O LEU A 7 -1.324 -5.461 1.502 1.00 0.00 O +ATOM 121 CB LEU A 7 -2.824 -2.903 2.868 1.00 0.00 C +ATOM 122 CG LEU A 7 -2.460 -1.924 4.000 1.00 0.00 C +ATOM 123 CD1 LEU A 7 -3.711 -1.690 4.853 1.00 0.00 C +ATOM 124 CD2 LEU A 7 -1.353 -2.460 4.918 1.00 0.00 C +ATOM 125 H LEU A 7 -2.291 -1.251 0.973 1.00 0.00 H +ATOM 126 HA LEU A 7 -0.757 -3.234 2.349 1.00 0.00 H +ATOM 127 HB2 LEU A 7 -3.682 -2.515 2.354 1.00 0.00 H +ATOM 128 HB3 LEU A 7 -3.076 -3.862 3.324 1.00 0.00 H +ATOM 129 HG LEU A 7 -2.134 -0.976 3.579 1.00 0.00 H +ATOM 130 HD11 LEU A 7 -4.496 -1.248 4.240 1.00 0.00 H +ATOM 131 HD12 LEU A 7 -4.067 -2.637 5.262 1.00 0.00 H +ATOM 132 HD13 LEU A 7 -3.483 -1.016 5.677 1.00 0.00 H +ATOM 133 HD21 LEU A 7 -1.664 -3.401 5.371 1.00 0.00 H +ATOM 134 HD22 LEU A 7 -0.433 -2.614 4.360 1.00 0.00 H +ATOM 135 HD23 LEU A 7 -1.147 -1.735 5.706 1.00 0.00 H +ATOM 136 N LYS A 8 -2.718 -4.492 0.018 1.00 0.00 N +ATOM 137 CA LYS A 8 -2.894 -5.686 -0.829 1.00 0.00 C +ATOM 138 C LYS A 8 -1.564 -6.220 -1.379 1.00 0.00 C +ATOM 139 O LYS A 8 -1.459 -7.409 -1.665 1.00 0.00 O +ATOM 140 CB LYS A 8 -3.864 -5.370 -1.980 1.00 0.00 C +ATOM 141 CG LYS A 8 -4.388 -6.622 -2.718 1.00 0.00 C +ATOM 142 CD LYS A 8 -4.505 -6.437 -4.242 1.00 0.00 C +ATOM 143 CE LYS A 8 -3.209 -6.745 -5.018 1.00 0.00 C +ATOM 144 NZ LYS A 8 -2.118 -5.779 -4.739 1.00 0.00 N +ATOM 145 H LYS A 8 -3.231 -3.643 -0.211 1.00 0.00 H +ATOM 146 HA LYS A 8 -3.325 -6.477 -0.214 1.00 0.00 H +ATOM 147 HB2 LYS A 8 -4.705 -4.839 -1.577 1.00 0.00 H +ATOM 148 HB3 LYS A 8 -3.360 -4.716 -2.685 1.00 0.00 H +ATOM 149 HG2 LYS A 8 -3.715 -7.435 -2.526 1.00 0.00 H +ATOM 150 HG3 LYS A 8 -5.377 -6.849 -2.317 1.00 0.00 H +ATOM 151 HD2 LYS A 8 -5.276 -7.091 -4.602 1.00 0.00 H +ATOM 152 HD3 LYS A 8 -4.855 -5.430 -4.471 1.00 0.00 H +ATOM 153 HE2 LYS A 8 -2.873 -7.727 -4.745 1.00 0.00 H +ATOM 154 HE3 LYS A 8 -3.446 -6.733 -6.086 1.00 0.00 H +ATOM 155 HZ1 LYS A 8 -2.396 -4.819 -4.880 1.00 0.00 H +ATOM 156 HZ2 LYS A 8 -1.774 -5.854 -3.793 1.00 0.00 H +ATOM 157 HZ3 LYS A 8 -1.282 -5.906 -5.304 1.00 0.00 H +ATOM 158 N ASP A 9 -0.551 -5.368 -1.570 1.00 0.00 N +ATOM 159 CA ASP A 9 0.787 -5.808 -1.980 1.00 0.00 C +ATOM 160 C ASP A 9 1.595 -6.452 -0.830 1.00 0.00 C +ATOM 161 O ASP A 9 2.685 -6.970 -1.090 1.00 0.00 O +ATOM 162 CB ASP A 9 1.594 -4.630 -2.566 1.00 0.00 C +ATOM 163 CG ASP A 9 0.973 -3.926 -3.776 1.00 0.00 C +ATOM 164 OD1 ASP A 9 0.255 -4.603 -4.551 1.00 0.00 O +ATOM 165 OD2 ASP A 9 1.306 -2.727 -3.970 1.00 0.00 O +ATOM 166 H ASP A 9 -0.687 -4.388 -1.343 1.00 0.00 H +ATOM 167 HA ASP A 9 0.689 -6.562 -2.762 1.00 0.00 H +ATOM 168 HB2 ASP A 9 1.719 -3.900 -1.790 1.00 0.00 H +ATOM 169 HB3 ASP A 9 2.559 -5.017 -2.894 1.00 0.00 H +ATOM 170 N GLY A 10 1.155 -6.367 0.440 1.00 0.00 N +ATOM 171 CA GLY A 10 1.920 -6.800 1.627 1.00 0.00 C +ATOM 172 C GLY A 10 2.495 -5.666 2.504 1.00 0.00 C +ATOM 173 O GLY A 10 3.323 -5.931 3.387 1.00 0.00 O +ATOM 174 H GLY A 10 0.231 -5.972 0.604 1.00 0.00 H +ATOM 175 HA2 GLY A 10 1.260 -7.399 2.254 1.00 0.00 H +ATOM 176 HA3 GLY A 10 2.750 -7.439 1.326 1.00 0.00 H +ATOM 177 N GLY A 11 2.078 -4.413 2.271 1.00 0.00 N +ATOM 178 CA GLY A 11 2.452 -3.248 3.072 1.00 0.00 C +ATOM 179 C GLY A 11 3.971 -2.986 3.103 1.00 0.00 C +ATOM 180 O GLY A 11 4.593 -2.901 2.043 1.00 0.00 O +ATOM 181 H GLY A 11 1.509 -4.255 1.448 1.00 0.00 H +ATOM 182 HA2 GLY A 11 1.968 -2.368 2.650 1.00 0.00 H +ATOM 183 HA3 GLY A 11 2.064 -3.396 4.078 1.00 0.00 H +ATOM 184 N PRO A 12 4.608 -2.840 4.289 1.00 0.00 N +ATOM 185 CA PRO A 12 6.049 -2.569 4.388 1.00 0.00 C +ATOM 186 C PRO A 12 6.947 -3.622 3.719 1.00 0.00 C +ATOM 187 O PRO A 12 8.100 -3.334 3.404 1.00 0.00 O +ATOM 188 CB PRO A 12 6.365 -2.497 5.887 1.00 0.00 C +ATOM 189 CG PRO A 12 5.019 -2.212 6.546 1.00 0.00 C +ATOM 190 CD PRO A 12 4.017 -2.897 5.618 1.00 0.00 C +ATOM 191 HA PRO A 12 6.252 -1.600 3.932 1.00 0.00 H +ATOM 192 HB2 PRO A 12 6.768 -3.428 6.235 1.00 0.00 H +ATOM 193 HB3 PRO A 12 7.091 -1.712 6.104 1.00 0.00 H +ATOM 194 HG2 PRO A 12 4.978 -2.632 7.532 1.00 0.00 H +ATOM 195 HG3 PRO A 12 4.836 -1.136 6.553 1.00 0.00 H +ATOM 196 HD2 PRO A 12 3.866 -3.916 5.917 1.00 0.00 H +ATOM 197 HD3 PRO A 12 3.061 -2.377 5.665 1.00 0.00 H +ATOM 198 N SER A 13 6.430 -4.838 3.502 1.00 0.00 N +ATOM 199 CA SER A 13 7.167 -5.968 2.930 1.00 0.00 C +ATOM 200 C SER A 13 7.113 -6.043 1.392 1.00 0.00 C +ATOM 201 O SER A 13 7.652 -6.980 0.805 1.00 0.00 O +ATOM 202 CB SER A 13 6.723 -7.269 3.614 1.00 0.00 C +ATOM 203 OG SER A 13 5.376 -7.634 3.349 1.00 0.00 O +ATOM 204 H SER A 13 5.454 -4.968 3.734 1.00 0.00 H +ATOM 205 HA SER A 13 8.222 -5.839 3.177 1.00 0.00 H +ATOM 206 HB2 SER A 13 7.360 -8.063 3.274 1.00 0.00 H +ATOM 207 HB3 SER A 13 6.865 -7.162 4.691 1.00 0.00 H +ATOM 208 HG SER A 13 4.737 -6.918 3.537 1.00 0.00 H +ATOM 209 N SER A 14 6.508 -5.047 0.733 1.00 0.00 N +ATOM 210 CA SER A 14 6.226 -5.028 -0.713 1.00 0.00 C +ATOM 211 C SER A 14 7.223 -4.235 -1.564 1.00 0.00 C +ATOM 212 O SER A 14 7.035 -4.116 -2.774 1.00 0.00 O +ATOM 213 CB SER A 14 4.854 -4.397 -0.935 1.00 0.00 C +ATOM 214 OG SER A 14 3.928 -5.006 -0.081 1.00 0.00 O +ATOM 215 H SER A 14 6.017 -4.350 1.287 1.00 0.00 H +ATOM 216 HA SER A 14 6.196 -6.052 -1.088 1.00 0.00 H +ATOM 217 HB2 SER A 14 4.903 -3.346 -0.722 1.00 0.00 H +ATOM 218 HB3 SER A 14 4.546 -4.527 -1.971 1.00 0.00 H +ATOM 219 HG SER A 14 3.589 -5.837 -0.501 1.00 0.00 H +ATOM 220 N GLY A 15 8.236 -3.613 -0.954 1.00 0.00 N +ATOM 221 CA GLY A 15 9.241 -2.785 -1.634 1.00 0.00 C +ATOM 222 C GLY A 15 8.755 -1.388 -2.056 1.00 0.00 C +ATOM 223 O GLY A 15 9.534 -0.439 -2.013 1.00 0.00 O +ATOM 224 H GLY A 15 8.306 -3.739 0.046 1.00 0.00 H +ATOM 225 HA2 GLY A 15 10.102 -2.664 -0.978 1.00 0.00 H +ATOM 226 HA3 GLY A 15 9.576 -3.308 -2.531 1.00 0.00 H +ATOM 227 N ARG A 16 7.484 -1.243 -2.458 1.00 0.00 N +ATOM 228 CA ARG A 16 6.866 0.043 -2.822 1.00 0.00 C +ATOM 229 C ARG A 16 6.607 0.907 -1.567 1.00 0.00 C +ATOM 230 O ARG A 16 6.048 0.385 -0.598 1.00 0.00 O +ATOM 231 CB ARG A 16 5.566 -0.231 -3.600 1.00 0.00 C +ATOM 232 CG ARG A 16 5.057 1.011 -4.351 1.00 0.00 C +ATOM 233 CD ARG A 16 3.793 0.732 -5.180 1.00 0.00 C +ATOM 234 NE ARG A 16 4.079 -0.101 -6.363 1.00 0.00 N +ATOM 235 CZ ARG A 16 3.877 -1.406 -6.533 1.00 0.00 C +ATOM 236 NH1 ARG A 16 3.266 -2.191 -5.676 1.00 0.00 N +ATOM 237 NH2 ARG A 16 4.308 -1.979 -7.632 1.00 0.00 N +ATOM 238 H ARG A 16 6.937 -2.095 -2.518 1.00 0.00 H +ATOM 239 HA ARG A 16 7.569 0.558 -3.476 1.00 0.00 H +ATOM 240 HB2 ARG A 16 5.749 -1.013 -4.312 1.00 0.00 H +ATOM 241 HB3 ARG A 16 4.793 -0.580 -2.914 1.00 0.00 H +ATOM 242 HG2 ARG A 16 4.834 1.777 -3.634 1.00 0.00 H +ATOM 243 HG3 ARG A 16 5.843 1.374 -5.018 1.00 0.00 H +ATOM 244 HD2 ARG A 16 3.079 0.222 -4.562 1.00 0.00 H +ATOM 245 HD3 ARG A 16 3.407 1.693 -5.529 1.00 0.00 H +ATOM 246 HE ARG A 16 4.530 0.371 -7.128 1.00 0.00 H +ATOM 247 HH11 ARG A 16 2.673 -1.883 -4.893 1.00 0.00 H +ATOM 248 HH12 ARG A 16 3.162 -3.167 -5.861 1.00 0.00 H +ATOM 249 HH21 ARG A 16 4.765 -1.448 -8.350 1.00 0.00 H +ATOM 250 HH22 ARG A 16 4.157 -2.963 -7.759 1.00 0.00 H +ATOM 251 N PRO A 17 6.947 2.213 -1.560 1.00 0.00 N +ATOM 252 CA PRO A 17 6.730 3.085 -0.400 1.00 0.00 C +ATOM 253 C PRO A 17 5.232 3.312 -0.095 1.00 0.00 C +ATOM 254 O PRO A 17 4.400 3.172 -0.996 1.00 0.00 O +ATOM 255 CB PRO A 17 7.438 4.403 -0.744 1.00 0.00 C +ATOM 256 CG PRO A 17 7.414 4.433 -2.270 1.00 0.00 C +ATOM 257 CD PRO A 17 7.583 2.961 -2.635 1.00 0.00 C +ATOM 258 HA PRO A 17 7.208 2.638 0.471 1.00 0.00 H +ATOM 259 HB2 PRO A 17 6.907 5.241 -0.336 1.00 0.00 H +ATOM 260 HB3 PRO A 17 8.472 4.360 -0.399 1.00 0.00 H +ATOM 261 HG2 PRO A 17 6.481 4.818 -2.635 1.00 0.00 H +ATOM 262 HG3 PRO A 17 8.216 5.048 -2.679 1.00 0.00 H +ATOM 263 HD2 PRO A 17 7.104 2.750 -3.572 1.00 0.00 H +ATOM 264 HD3 PRO A 17 8.643 2.709 -2.673 1.00 0.00 H +ATOM 265 N PRO A 18 4.878 3.687 1.151 1.00 0.00 N +ATOM 266 CA PRO A 18 3.495 3.929 1.554 1.00 0.00 C +ATOM 267 C PRO A 18 2.938 5.209 0.903 1.00 0.00 C +ATOM 268 O PRO A 18 3.617 6.239 0.913 1.00 0.00 O +ATOM 269 CB PRO A 18 3.524 4.048 3.081 1.00 0.00 C +ATOM 270 CG PRO A 18 4.937 4.549 3.376 1.00 0.00 C +ATOM 271 CD PRO A 18 5.775 3.886 2.283 1.00 0.00 C +ATOM 272 HA PRO A 18 2.889 3.069 1.280 1.00 0.00 H +ATOM 273 HB2 PRO A 18 2.789 4.750 3.425 1.00 0.00 H +ATOM 274 HB3 PRO A 18 3.390 3.061 3.527 1.00 0.00 H +ATOM 275 HG2 PRO A 18 4.989 5.618 3.306 1.00 0.00 H +ATOM 276 HG3 PRO A 18 5.272 4.261 4.373 1.00 0.00 H +ATOM 277 HD2 PRO A 18 6.593 4.522 2.003 1.00 0.00 H +ATOM 278 HD3 PRO A 18 6.135 2.918 2.635 1.00 0.00 H +ATOM 279 N PRO A 19 1.706 5.185 0.359 1.00 0.00 N +ATOM 280 CA PRO A 19 1.071 6.373 -0.198 1.00 0.00 C +ATOM 281 C PRO A 19 0.534 7.279 0.922 1.00 0.00 C +ATOM 282 O PRO A 19 0.005 6.793 1.925 1.00 0.00 O +ATOM 283 CB PRO A 19 -0.043 5.831 -1.093 1.00 0.00 C +ATOM 284 CG PRO A 19 -0.475 4.546 -0.383 1.00 0.00 C +ATOM 285 CD PRO A 19 0.817 4.036 0.254 1.00 0.00 C +ATOM 286 HA PRO A 19 1.785 6.932 -0.806 1.00 0.00 H +ATOM 287 HB2 PRO A 19 -0.857 6.527 -1.157 1.00 0.00 H +ATOM 288 HB3 PRO A 19 0.371 5.580 -2.071 1.00 0.00 H +ATOM 289 HG2 PRO A 19 -1.216 4.752 0.365 1.00 0.00 H +ATOM 290 HG3 PRO A 19 -0.885 3.819 -1.084 1.00 0.00 H +ATOM 291 HD2 PRO A 19 0.616 3.632 1.228 1.00 0.00 H +ATOM 292 HD3 PRO A 19 1.276 3.286 -0.389 1.00 0.00 H +ATOM 293 N SER A 20 0.660 8.597 0.722 1.00 0.00 N +ATOM 294 CA SER A 20 0.150 9.654 1.607 1.00 0.00 C +ATOM 295 C SER A 20 -1.110 10.284 1.016 1.00 0.00 C +ATOM 296 O SER A 20 -2.094 10.380 1.786 1.00 0.00 O +ATOM 297 CB SER A 20 1.248 10.701 1.823 1.00 0.00 C +ATOM 298 OG SER A 20 0.910 11.534 2.908 1.00 0.00 O +ATOM 299 OXT SER A 20 -1.067 10.639 -0.179 1.00 0.00 O +ATOM 300 H SER A 20 1.051 8.910 -0.152 1.00 0.00 H +ATOM 301 HA SER A 20 -0.125 9.214 2.563 1.00 0.00 H +ATOM 302 HB2 SER A 20 2.177 10.205 2.031 1.00 0.00 H +ATOM 303 HB3 SER A 20 1.371 11.300 0.918 1.00 0.00 H +ATOM 304 HG SER A 20 0.272 11.069 3.455 1.00 0.00 H +TER 305 SER A 20 +ENDMDL +MODEL 14 +ATOM 1 N ASN A 1 -6.401 7.662 -1.132 1.00 0.00 N +ATOM 2 CA ASN A 1 -7.275 6.470 -1.269 1.00 0.00 C +ATOM 3 C ASN A 1 -6.573 5.259 -1.924 1.00 0.00 C +ATOM 4 O ASN A 1 -7.244 4.408 -2.495 1.00 0.00 O +ATOM 5 CB ASN A 1 -8.588 6.852 -1.993 1.00 0.00 C +ATOM 6 CG ASN A 1 -9.793 6.163 -1.354 1.00 0.00 C +ATOM 7 OD1 ASN A 1 -9.671 5.136 -0.706 1.00 0.00 O +ATOM 8 ND2 ASN A 1 -10.977 6.741 -1.450 1.00 0.00 N +ATOM 9 H1 ASN A 1 -5.636 7.473 -0.499 1.00 0.00 H +ATOM 10 H2 ASN A 1 -6.040 7.938 -2.035 1.00 0.00 H +ATOM 11 H3 ASN A 1 -6.938 8.429 -0.749 1.00 0.00 H +ATOM 12 HA ASN A 1 -7.560 6.149 -0.264 1.00 0.00 H +ATOM 13 HB2 ASN A 1 -8.722 7.915 -1.937 1.00 0.00 H +ATOM 14 HB3 ASN A 1 -8.537 6.586 -3.050 1.00 0.00 H +ATOM 15 HD21 ASN A 1 -11.144 7.601 -1.945 1.00 0.00 H +ATOM 16 HD22 ASN A 1 -11.719 6.237 -0.991 1.00 0.00 H +ATOM 17 N LEU A 2 -5.236 5.147 -1.843 1.00 0.00 N +ATOM 18 CA LEU A 2 -4.460 4.057 -2.472 1.00 0.00 C +ATOM 19 C LEU A 2 -3.853 3.067 -1.460 1.00 0.00 C +ATOM 20 O LEU A 2 -3.274 2.048 -1.840 1.00 0.00 O +ATOM 21 CB LEU A 2 -3.389 4.680 -3.399 1.00 0.00 C +ATOM 22 CG LEU A 2 -3.705 4.592 -4.905 1.00 0.00 C +ATOM 23 CD1 LEU A 2 -3.639 3.147 -5.409 1.00 0.00 C +ATOM 24 CD2 LEU A 2 -5.061 5.208 -5.270 1.00 0.00 C +ATOM 25 H LEU A 2 -4.672 5.849 -1.391 1.00 0.00 H +ATOM 26 HA LEU A 2 -5.127 3.449 -3.079 1.00 0.00 H +ATOM 27 HB2 LEU A 2 -3.286 5.716 -3.140 1.00 0.00 H +ATOM 28 HB3 LEU A 2 -2.429 4.188 -3.232 1.00 0.00 H +ATOM 29 HG LEU A 2 -2.935 5.159 -5.430 1.00 0.00 H +ATOM 30 HD11 LEU A 2 -2.666 2.717 -5.172 1.00 0.00 H +ATOM 31 HD12 LEU A 2 -4.417 2.537 -4.955 1.00 0.00 H +ATOM 32 HD13 LEU A 2 -3.774 3.127 -6.492 1.00 0.00 H +ATOM 33 HD21 LEU A 2 -5.877 4.592 -4.894 1.00 0.00 H +ATOM 34 HD22 LEU A 2 -5.138 6.211 -4.856 1.00 0.00 H +ATOM 35 HD23 LEU A 2 -5.148 5.268 -6.356 1.00 0.00 H +ATOM 36 N TYR A 3 -4.027 3.341 -0.163 1.00 0.00 N +ATOM 37 CA TYR A 3 -3.458 2.567 0.937 1.00 0.00 C +ATOM 38 C TYR A 3 -3.944 1.109 0.964 1.00 0.00 C +ATOM 39 O TYR A 3 -3.174 0.216 1.296 1.00 0.00 O +ATOM 40 CB TYR A 3 -3.759 3.287 2.260 1.00 0.00 C +ATOM 41 CG TYR A 3 -2.564 3.330 3.186 1.00 0.00 C +ATOM 42 CD1 TYR A 3 -2.297 2.234 4.021 1.00 0.00 C +ATOM 43 CD2 TYR A 3 -1.713 4.454 3.196 1.00 0.00 C +ATOM 44 CE1 TYR A 3 -1.182 2.255 4.876 1.00 0.00 C +ATOM 45 CE2 TYR A 3 -0.605 4.489 4.064 1.00 0.00 C +ATOM 46 CZ TYR A 3 -0.339 3.386 4.907 1.00 0.00 C +ATOM 47 OH TYR A 3 0.697 3.407 5.788 1.00 0.00 O +ATOM 48 H TYR A 3 -4.543 4.171 0.073 1.00 0.00 H +ATOM 49 HA TYR A 3 -2.375 2.545 0.801 1.00 0.00 H +ATOM 50 HB2 TYR A 3 -4.061 4.293 2.042 1.00 0.00 H +ATOM 51 HB3 TYR A 3 -4.593 2.797 2.766 1.00 0.00 H +ATOM 52 HD1 TYR A 3 -2.954 1.378 4.007 1.00 0.00 H +ATOM 53 HD2 TYR A 3 -1.904 5.298 2.546 1.00 0.00 H +ATOM 54 HE1 TYR A 3 -0.969 1.423 5.532 1.00 0.00 H +ATOM 55 HE2 TYR A 3 0.032 5.362 4.078 1.00 0.00 H +ATOM 56 HH TYR A 3 0.695 4.212 6.308 1.00 0.00 H +ATOM 57 N ILE A 4 -5.199 0.862 0.556 1.00 0.00 N +ATOM 58 CA ILE A 4 -5.795 -0.478 0.440 1.00 0.00 C +ATOM 59 C ILE A 4 -4.969 -1.337 -0.529 1.00 0.00 C +ATOM 60 O ILE A 4 -4.571 -2.450 -0.193 1.00 0.00 O +ATOM 61 CB ILE A 4 -7.277 -0.384 -0.008 1.00 0.00 C +ATOM 62 CG1 ILE A 4 -8.120 0.501 0.945 1.00 0.00 C +ATOM 63 CG2 ILE A 4 -7.894 -1.795 -0.096 1.00 0.00 C +ATOM 64 CD1 ILE A 4 -9.475 0.918 0.356 1.00 0.00 C +ATOM 65 H ILE A 4 -5.761 1.657 0.298 1.00 0.00 H +ATOM 66 HA ILE A 4 -5.759 -0.960 1.418 1.00 0.00 H +ATOM 67 HB ILE A 4 -7.306 0.064 -1.002 1.00 0.00 H +ATOM 68 HG12 ILE A 4 -8.297 -0.048 1.850 1.00 0.00 H +ATOM 69 HG13 ILE A 4 -7.586 1.423 1.167 1.00 0.00 H +ATOM 70 HG21 ILE A 4 -7.385 -2.392 -0.852 1.00 0.00 H +ATOM 71 HG22 ILE A 4 -7.817 -2.302 0.867 1.00 0.00 H +ATOM 72 HG23 ILE A 4 -8.945 -1.739 -0.379 1.00 0.00 H +ATOM 73 HD11 ILE A 4 -9.330 1.364 -0.631 1.00 0.00 H +ATOM 74 HD12 ILE A 4 -10.141 0.060 0.274 1.00 0.00 H +ATOM 75 HD13 ILE A 4 -9.939 1.657 1.008 1.00 0.00 H +ATOM 76 N GLN A 5 -4.685 -0.803 -1.722 1.00 0.00 N +ATOM 77 CA GLN A 5 -3.904 -1.463 -2.769 1.00 0.00 C +ATOM 78 C GLN A 5 -2.453 -1.702 -2.326 1.00 0.00 C +ATOM 79 O GLN A 5 -1.920 -2.790 -2.539 1.00 0.00 O +ATOM 80 CB GLN A 5 -3.995 -0.617 -4.058 1.00 0.00 C +ATOM 81 CG GLN A 5 -4.421 -1.431 -5.294 1.00 0.00 C +ATOM 82 CD GLN A 5 -5.350 -0.621 -6.194 1.00 0.00 C +ATOM 83 OE1 GLN A 5 -4.942 0.305 -6.876 1.00 0.00 O +ATOM 84 NE2 GLN A 5 -6.636 -0.921 -6.208 1.00 0.00 N +ATOM 85 H GLN A 5 -4.991 0.144 -1.894 1.00 0.00 H +ATOM 86 HA GLN A 5 -4.348 -2.442 -2.942 1.00 0.00 H +ATOM 87 HB2 GLN A 5 -4.713 0.165 -3.902 1.00 0.00 H +ATOM 88 HB3 GLN A 5 -3.039 -0.132 -4.264 1.00 0.00 H +ATOM 89 HG2 GLN A 5 -3.546 -1.706 -5.851 1.00 0.00 H +ATOM 90 HG3 GLN A 5 -4.941 -2.342 -4.994 1.00 0.00 H +ATOM 91 HE21 GLN A 5 -7.025 -1.675 -5.669 1.00 0.00 H +ATOM 92 HE22 GLN A 5 -7.188 -0.340 -6.815 1.00 0.00 H +ATOM 93 N TRP A 6 -1.834 -0.719 -1.658 1.00 0.00 N +ATOM 94 CA TRP A 6 -0.498 -0.859 -1.070 1.00 0.00 C +ATOM 95 C TRP A 6 -0.433 -1.932 0.032 1.00 0.00 C +ATOM 96 O TRP A 6 0.497 -2.744 0.055 1.00 0.00 O +ATOM 97 CB TRP A 6 -0.042 0.505 -0.544 1.00 0.00 C +ATOM 98 CG TRP A 6 1.340 0.516 0.026 1.00 0.00 C +ATOM 99 CD1 TRP A 6 2.480 0.543 -0.699 1.00 0.00 C +ATOM 100 CD2 TRP A 6 1.754 0.502 1.428 1.00 0.00 C +ATOM 101 NE1 TRP A 6 3.565 0.518 0.155 1.00 0.00 N +ATOM 102 CE2 TRP A 6 3.179 0.507 1.471 1.00 0.00 C +ATOM 103 CE3 TRP A 6 1.081 0.494 2.669 1.00 0.00 C +ATOM 104 CZ2 TRP A 6 3.905 0.515 2.669 1.00 0.00 C +ATOM 105 CZ3 TRP A 6 1.798 0.487 3.882 1.00 0.00 C +ATOM 106 CH2 TRP A 6 3.205 0.501 3.885 1.00 0.00 C +ATOM 107 H TRP A 6 -2.329 0.162 -1.554 1.00 0.00 H +ATOM 108 HA TRP A 6 0.193 -1.170 -1.855 1.00 0.00 H +ATOM 109 HB2 TRP A 6 -0.076 1.206 -1.355 1.00 0.00 H +ATOM 110 HB3 TRP A 6 -0.737 0.847 0.222 1.00 0.00 H +ATOM 111 HD1 TRP A 6 2.524 0.581 -1.779 1.00 0.00 H +ATOM 112 HE1 TRP A 6 4.549 0.548 -0.121 1.00 0.00 H +ATOM 113 HE3 TRP A 6 0.001 0.500 2.681 1.00 0.00 H +ATOM 114 HZ2 TRP A 6 4.985 0.520 2.640 1.00 0.00 H +ATOM 115 HZ3 TRP A 6 1.267 0.489 4.823 1.00 0.00 H +ATOM 116 HH2 TRP A 6 3.747 0.509 4.821 1.00 0.00 H +ATOM 117 N LEU A 7 -1.429 -1.970 0.928 1.00 0.00 N +ATOM 118 CA LEU A 7 -1.563 -3.019 1.940 1.00 0.00 C +ATOM 119 C LEU A 7 -1.832 -4.398 1.325 1.00 0.00 C +ATOM 120 O LEU A 7 -1.302 -5.380 1.840 1.00 0.00 O +ATOM 121 CB LEU A 7 -2.671 -2.661 2.946 1.00 0.00 C +ATOM 122 CG LEU A 7 -2.287 -1.567 3.960 1.00 0.00 C +ATOM 123 CD1 LEU A 7 -3.511 -1.233 4.821 1.00 0.00 C +ATOM 124 CD2 LEU A 7 -1.148 -1.999 4.892 1.00 0.00 C +ATOM 125 H LEU A 7 -2.136 -1.238 0.898 1.00 0.00 H +ATOM 126 HA LEU A 7 -0.618 -3.107 2.473 1.00 0.00 H +ATOM 127 HB2 LEU A 7 -3.527 -2.321 2.395 1.00 0.00 H +ATOM 128 HB3 LEU A 7 -2.940 -3.558 3.506 1.00 0.00 H +ATOM 129 HG LEU A 7 -1.976 -0.668 3.433 1.00 0.00 H +ATOM 130 HD11 LEU A 7 -4.316 -0.864 4.185 1.00 0.00 H +ATOM 131 HD12 LEU A 7 -3.850 -2.123 5.351 1.00 0.00 H +ATOM 132 HD13 LEU A 7 -3.257 -0.464 5.550 1.00 0.00 H +ATOM 133 HD21 LEU A 7 -1.377 -2.965 5.340 1.00 0.00 H +ATOM 134 HD22 LEU A 7 -0.217 -2.069 4.334 1.00 0.00 H +ATOM 135 HD23 LEU A 7 -1.013 -1.260 5.680 1.00 0.00 H +ATOM 136 N LYS A 8 -2.599 -4.488 0.226 1.00 0.00 N +ATOM 137 CA LYS A 8 -2.976 -5.755 -0.427 1.00 0.00 C +ATOM 138 C LYS A 8 -1.777 -6.638 -0.783 1.00 0.00 C +ATOM 139 O LYS A 8 -1.856 -7.858 -0.664 1.00 0.00 O +ATOM 140 CB LYS A 8 -3.803 -5.465 -1.696 1.00 0.00 C +ATOM 141 CG LYS A 8 -4.622 -6.677 -2.165 1.00 0.00 C +ATOM 142 CD LYS A 8 -5.863 -6.886 -1.280 1.00 0.00 C +ATOM 143 CE LYS A 8 -6.602 -8.185 -1.607 1.00 0.00 C +ATOM 144 NZ LYS A 8 -5.801 -9.379 -1.240 1.00 0.00 N +ATOM 145 H LYS A 8 -3.048 -3.631 -0.094 1.00 0.00 H +ATOM 146 HA LYS A 8 -3.571 -6.320 0.286 1.00 0.00 H +ATOM 147 HB2 LYS A 8 -4.477 -4.656 -1.488 1.00 0.00 H +ATOM 148 HB3 LYS A 8 -3.125 -5.174 -2.502 1.00 0.00 H +ATOM 149 HG2 LYS A 8 -4.937 -6.516 -3.178 1.00 0.00 H +ATOM 150 HG3 LYS A 8 -3.995 -7.568 -2.162 1.00 0.00 H +ATOM 151 HD2 LYS A 8 -5.553 -6.915 -0.253 1.00 0.00 H +ATOM 152 HD3 LYS A 8 -6.542 -6.046 -1.435 1.00 0.00 H +ATOM 153 HE2 LYS A 8 -7.527 -8.206 -1.063 1.00 0.00 H +ATOM 154 HE3 LYS A 8 -6.842 -8.200 -2.674 1.00 0.00 H +ATOM 155 HZ1 LYS A 8 -4.958 -9.420 -1.800 1.00 0.00 H +ATOM 156 HZ2 LYS A 8 -5.526 -9.332 -0.267 1.00 0.00 H +ATOM 157 HZ3 LYS A 8 -6.335 -10.225 -1.388 1.00 0.00 H +ATOM 158 N ASP A 9 -0.693 -6.000 -1.216 1.00 0.00 N +ATOM 159 CA ASP A 9 0.577 -6.608 -1.609 1.00 0.00 C +ATOM 160 C ASP A 9 1.501 -6.893 -0.404 1.00 0.00 C +ATOM 161 O ASP A 9 2.502 -7.590 -0.554 1.00 0.00 O +ATOM 162 CB ASP A 9 1.191 -5.620 -2.609 1.00 0.00 C +ATOM 163 CG ASP A 9 2.246 -6.195 -3.544 1.00 0.00 C +ATOM 164 OD1 ASP A 9 1.842 -6.848 -4.529 1.00 0.00 O +ATOM 165 OD2 ASP A 9 3.401 -5.726 -3.445 1.00 0.00 O +ATOM 166 H ASP A 9 -0.773 -4.997 -1.309 1.00 0.00 H +ATOM 167 HA ASP A 9 0.386 -7.552 -2.122 1.00 0.00 H +ATOM 168 HB2 ASP A 9 0.396 -5.225 -3.212 1.00 0.00 H +ATOM 169 HB3 ASP A 9 1.601 -4.770 -2.070 1.00 0.00 H +ATOM 170 N GLY A 10 1.138 -6.413 0.799 1.00 0.00 N +ATOM 171 CA GLY A 10 1.851 -6.634 2.059 1.00 0.00 C +ATOM 172 C GLY A 10 2.515 -5.385 2.659 1.00 0.00 C +ATOM 173 O GLY A 10 3.469 -5.523 3.433 1.00 0.00 O +ATOM 174 H GLY A 10 0.235 -5.953 0.859 1.00 0.00 H +ATOM 175 HA2 GLY A 10 1.135 -7.004 2.792 1.00 0.00 H +ATOM 176 HA3 GLY A 10 2.606 -7.406 1.922 1.00 0.00 H +ATOM 177 N GLY A 11 2.037 -4.182 2.311 1.00 0.00 N +ATOM 178 CA GLY A 11 2.491 -2.882 2.819 1.00 0.00 C +ATOM 179 C GLY A 11 4.020 -2.705 2.788 1.00 0.00 C +ATOM 180 O GLY A 11 4.574 -2.593 1.694 1.00 0.00 O +ATOM 181 H GLY A 11 1.318 -4.166 1.598 1.00 0.00 H +ATOM 182 HA2 GLY A 11 2.060 -2.105 2.191 1.00 0.00 H +ATOM 183 HA3 GLY A 11 2.102 -2.739 3.824 1.00 0.00 H +ATOM 184 N PRO A 12 4.730 -2.700 3.937 1.00 0.00 N +ATOM 185 CA PRO A 12 6.196 -2.624 3.971 1.00 0.00 C +ATOM 186 C PRO A 12 6.905 -3.715 3.153 1.00 0.00 C +ATOM 187 O PRO A 12 8.004 -3.490 2.653 1.00 0.00 O +ATOM 188 CB PRO A 12 6.587 -2.742 5.450 1.00 0.00 C +ATOM 189 CG PRO A 12 5.333 -2.306 6.202 1.00 0.00 C +ATOM 190 CD PRO A 12 4.199 -2.770 5.292 1.00 0.00 C +ATOM 191 HA PRO A 12 6.504 -1.647 3.594 1.00 0.00 H +ATOM 192 HB2 PRO A 12 6.846 -3.754 5.696 1.00 0.00 H +ATOM 193 HB3 PRO A 12 7.442 -2.107 5.689 1.00 0.00 H +ATOM 194 HG2 PRO A 12 5.275 -2.782 7.162 1.00 0.00 H +ATOM 195 HG3 PRO A 12 5.315 -1.219 6.283 1.00 0.00 H +ATOM 196 HD2 PRO A 12 3.915 -3.777 5.531 1.00 0.00 H +ATOM 197 HD3 PRO A 12 3.335 -2.119 5.426 1.00 0.00 H +ATOM 198 N SER A 13 6.277 -4.888 3.002 1.00 0.00 N +ATOM 199 CA SER A 13 6.825 -6.021 2.248 1.00 0.00 C +ATOM 200 C SER A 13 6.595 -5.934 0.728 1.00 0.00 C +ATOM 201 O SER A 13 7.075 -6.791 -0.007 1.00 0.00 O +ATOM 202 CB SER A 13 6.342 -7.350 2.853 1.00 0.00 C +ATOM 203 OG SER A 13 4.946 -7.537 2.785 1.00 0.00 O +ATOM 204 H SER A 13 5.343 -4.969 3.391 1.00 0.00 H +ATOM 205 HA SER A 13 7.908 -6.013 2.377 1.00 0.00 H +ATOM 206 HB2 SER A 13 6.816 -8.154 2.324 1.00 0.00 H +ATOM 207 HB3 SER A 13 6.647 -7.388 3.900 1.00 0.00 H +ATOM 208 HG SER A 13 4.461 -6.757 3.136 1.00 0.00 H +ATOM 209 N SER A 14 5.937 -4.870 0.241 1.00 0.00 N +ATOM 210 CA SER A 14 5.582 -4.659 -1.171 1.00 0.00 C +ATOM 211 C SER A 14 6.709 -4.075 -2.046 1.00 0.00 C +ATOM 212 O SER A 14 6.506 -3.867 -3.240 1.00 0.00 O +ATOM 213 CB SER A 14 4.394 -3.697 -1.249 1.00 0.00 C +ATOM 214 OG SER A 14 3.342 -4.095 -0.399 1.00 0.00 O +ATOM 215 H SER A 14 5.543 -4.204 0.899 1.00 0.00 H +ATOM 216 HA SER A 14 5.276 -5.613 -1.607 1.00 0.00 H +ATOM 217 HB2 SER A 14 4.721 -2.717 -0.961 1.00 0.00 H +ATOM 218 HB3 SER A 14 4.025 -3.661 -2.271 1.00 0.00 H +ATOM 219 HG SER A 14 2.975 -3.313 0.029 1.00 0.00 H +ATOM 220 N GLY A 15 7.873 -3.737 -1.470 1.00 0.00 N +ATOM 221 CA GLY A 15 8.999 -3.132 -2.201 1.00 0.00 C +ATOM 222 C GLY A 15 8.848 -1.633 -2.516 1.00 0.00 C +ATOM 223 O GLY A 15 9.535 -1.130 -3.401 1.00 0.00 O +ATOM 224 H GLY A 15 7.986 -3.973 -0.495 1.00 0.00 H +ATOM 225 HA2 GLY A 15 9.912 -3.262 -1.623 1.00 0.00 H +ATOM 226 HA3 GLY A 15 9.130 -3.657 -3.149 1.00 0.00 H +ATOM 227 N ARG A 16 7.939 -0.924 -1.830 1.00 0.00 N +ATOM 228 CA ARG A 16 7.559 0.475 -2.105 1.00 0.00 C +ATOM 229 C ARG A 16 7.032 1.175 -0.838 1.00 0.00 C +ATOM 230 O ARG A 16 6.351 0.518 -0.047 1.00 0.00 O +ATOM 231 CB ARG A 16 6.517 0.515 -3.247 1.00 0.00 C +ATOM 232 CG ARG A 16 5.357 -0.489 -3.097 1.00 0.00 C +ATOM 233 CD ARG A 16 4.496 -0.583 -4.360 1.00 0.00 C +ATOM 234 NE ARG A 16 3.700 -1.826 -4.349 1.00 0.00 N +ATOM 235 CZ ARG A 16 3.398 -2.606 -5.380 1.00 0.00 C +ATOM 236 NH1 ARG A 16 3.636 -2.252 -6.620 1.00 0.00 N +ATOM 237 NH2 ARG A 16 2.850 -3.774 -5.180 1.00 0.00 N +ATOM 238 H ARG A 16 7.441 -1.405 -1.093 1.00 0.00 H +ATOM 239 HA ARG A 16 8.452 1.000 -2.443 1.00 0.00 H +ATOM 240 HB2 ARG A 16 6.101 1.503 -3.285 1.00 0.00 H +ATOM 241 HB3 ARG A 16 7.040 0.296 -4.178 1.00 0.00 H +ATOM 242 HG2 ARG A 16 5.766 -1.458 -2.886 1.00 0.00 H +ATOM 243 HG3 ARG A 16 4.736 -0.217 -2.247 1.00 0.00 H +ATOM 244 HD2 ARG A 16 3.834 0.260 -4.400 1.00 0.00 H +ATOM 245 HD3 ARG A 16 5.162 -0.588 -5.225 1.00 0.00 H +ATOM 246 HE ARG A 16 3.410 -2.188 -3.456 1.00 0.00 H +ATOM 247 HH11 ARG A 16 4.099 -1.379 -6.787 1.00 0.00 H +ATOM 248 HH12 ARG A 16 3.425 -2.883 -7.370 1.00 0.00 H +ATOM 249 HH21 ARG A 16 3.013 -4.274 -4.292 1.00 0.00 H +ATOM 250 HH22 ARG A 16 2.589 -4.386 -5.930 1.00 0.00 H +ATOM 251 N PRO A 17 7.296 2.484 -0.642 1.00 0.00 N +ATOM 252 CA PRO A 17 6.862 3.230 0.546 1.00 0.00 C +ATOM 253 C PRO A 17 5.336 3.464 0.578 1.00 0.00 C +ATOM 254 O PRO A 17 4.676 3.310 -0.454 1.00 0.00 O +ATOM 255 CB PRO A 17 7.636 4.555 0.478 1.00 0.00 C +ATOM 256 CG PRO A 17 7.830 4.776 -1.020 1.00 0.00 C +ATOM 257 CD PRO A 17 8.034 3.357 -1.545 1.00 0.00 C +ATOM 258 HA PRO A 17 7.157 2.685 1.444 1.00 0.00 H +ATOM 259 HB2 PRO A 17 7.068 5.354 0.914 1.00 0.00 H +ATOM 260 HB3 PRO A 17 8.609 4.434 0.956 1.00 0.00 H +ATOM 261 HG2 PRO A 17 6.963 5.230 -1.460 1.00 0.00 H +ATOM 262 HG3 PRO A 17 8.689 5.414 -1.228 1.00 0.00 H +ATOM 263 HD2 PRO A 17 7.651 3.270 -2.543 1.00 0.00 H +ATOM 264 HD3 PRO A 17 9.094 3.104 -1.509 1.00 0.00 H +ATOM 265 N PRO A 18 4.762 3.851 1.737 1.00 0.00 N +ATOM 266 CA PRO A 18 3.324 4.085 1.879 1.00 0.00 C +ATOM 267 C PRO A 18 2.832 5.288 1.045 1.00 0.00 C +ATOM 268 O PRO A 18 3.507 6.319 1.003 1.00 0.00 O +ATOM 269 CB PRO A 18 3.085 4.299 3.378 1.00 0.00 C +ATOM 270 CG PRO A 18 4.437 4.766 3.908 1.00 0.00 C +ATOM 271 CD PRO A 18 5.429 4.018 3.023 1.00 0.00 C +ATOM 272 HA PRO A 18 2.803 3.182 1.576 1.00 0.00 H +ATOM 273 HB2 PRO A 18 2.333 5.047 3.541 1.00 0.00 H +ATOM 274 HB3 PRO A 18 2.823 3.348 3.843 1.00 0.00 H +ATOM 275 HG2 PRO A 18 4.548 5.828 3.800 1.00 0.00 H +ATOM 276 HG3 PRO A 18 4.568 4.519 4.962 1.00 0.00 H +ATOM 277 HD2 PRO A 18 6.330 4.589 2.906 1.00 0.00 H +ATOM 278 HD3 PRO A 18 5.634 3.036 3.452 1.00 0.00 H +ATOM 279 N PRO A 19 1.660 5.185 0.385 1.00 0.00 N +ATOM 280 CA PRO A 19 1.102 6.250 -0.443 1.00 0.00 C +ATOM 281 C PRO A 19 0.321 7.283 0.390 1.00 0.00 C +ATOM 282 O PRO A 19 -0.811 7.023 0.804 1.00 0.00 O +ATOM 283 CB PRO A 19 0.206 5.530 -1.455 1.00 0.00 C +ATOM 284 CG PRO A 19 -0.321 4.332 -0.664 1.00 0.00 C +ATOM 285 CD PRO A 19 0.850 3.979 0.253 1.00 0.00 C +ATOM 286 HA PRO A 19 1.900 6.759 -0.984 1.00 0.00 H +ATOM 287 HB2 PRO A 19 -0.598 6.163 -1.776 1.00 0.00 H +ATOM 288 HB3 PRO A 19 0.818 5.174 -2.286 1.00 0.00 H +ATOM 289 HG2 PRO A 19 -1.190 4.599 -0.094 1.00 0.00 H +ATOM 290 HG3 PRO A 19 -0.584 3.506 -1.323 1.00 0.00 H +ATOM 291 HD2 PRO A 19 0.487 3.671 1.214 1.00 0.00 H +ATOM 292 HD3 PRO A 19 1.451 3.202 -0.216 1.00 0.00 H +ATOM 293 N SER A 20 0.922 8.471 0.555 1.00 0.00 N +ATOM 294 CA SER A 20 0.386 9.673 1.224 1.00 0.00 C +ATOM 295 C SER A 20 0.416 9.627 2.763 1.00 0.00 C +ATOM 296 O SER A 20 1.001 8.684 3.339 1.00 0.00 O +ATOM 297 CB SER A 20 -1.018 10.026 0.706 1.00 0.00 C +ATOM 298 OG SER A 20 -1.373 11.233 1.334 1.00 0.00 O +ATOM 299 OXT SER A 20 -0.165 10.594 3.315 1.00 0.00 O +ATOM 300 H SER A 20 1.888 8.511 0.265 1.00 0.00 H +ATOM 301 HA SER A 20 1.034 10.508 0.958 1.00 0.00 H +ATOM 302 HB2 SER A 20 -1.001 10.151 -0.360 1.00 0.00 H +ATOM 303 HB3 SER A 20 -1.730 9.255 1.002 1.00 0.00 H +ATOM 304 HG SER A 20 -0.935 11.116 2.254 1.00 0.00 H +TER 305 SER A 20 +ENDMDL +MODEL 15 +ATOM 1 N ASN A 1 -5.555 8.004 -1.532 1.00 0.00 N +ATOM 2 CA ASN A 1 -6.571 6.932 -1.361 1.00 0.00 C +ATOM 3 C ASN A 1 -6.105 5.544 -1.850 1.00 0.00 C +ATOM 4 O ASN A 1 -6.936 4.715 -2.200 1.00 0.00 O +ATOM 5 CB ASN A 1 -7.897 7.340 -2.038 1.00 0.00 C +ATOM 6 CG ASN A 1 -9.071 6.615 -1.385 1.00 0.00 C +ATOM 7 OD1 ASN A 1 -9.297 6.771 -0.197 1.00 0.00 O +ATOM 8 ND2 ASN A 1 -9.821 5.802 -2.107 1.00 0.00 N +ATOM 9 H1 ASN A 1 -4.747 7.831 -0.949 1.00 0.00 H +ATOM 10 H2 ASN A 1 -5.271 8.069 -2.500 1.00 0.00 H +ATOM 11 H3 ASN A 1 -5.951 8.893 -1.252 1.00 0.00 H +ATOM 12 HA ASN A 1 -6.784 6.837 -0.294 1.00 0.00 H +ATOM 13 HB2 ASN A 1 -8.035 8.399 -1.937 1.00 0.00 H +ATOM 14 HB3 ASN A 1 -7.861 7.128 -3.108 1.00 0.00 H +ATOM 15 HD21 ASN A 1 -9.603 5.565 -3.060 1.00 0.00 H +ATOM 16 HD22 ASN A 1 -10.562 5.348 -1.598 1.00 0.00 H +ATOM 17 N LEU A 2 -4.794 5.254 -1.881 1.00 0.00 N +ATOM 18 CA LEU A 2 -4.259 3.990 -2.422 1.00 0.00 C +ATOM 19 C LEU A 2 -3.783 3.017 -1.328 1.00 0.00 C +ATOM 20 O LEU A 2 -3.304 1.928 -1.638 1.00 0.00 O +ATOM 21 CB LEU A 2 -3.148 4.316 -3.442 1.00 0.00 C +ATOM 22 CG LEU A 2 -3.647 5.049 -4.702 1.00 0.00 C +ATOM 23 CD1 LEU A 2 -2.468 5.586 -5.520 1.00 0.00 C +ATOM 24 CD2 LEU A 2 -4.488 4.133 -5.599 1.00 0.00 C +ATOM 25 H LEU A 2 -4.097 5.917 -1.583 1.00 0.00 H +ATOM 26 HA LEU A 2 -5.044 3.453 -2.954 1.00 0.00 H +ATOM 27 HB2 LEU A 2 -2.418 4.936 -2.958 1.00 0.00 H +ATOM 28 HB3 LEU A 2 -2.649 3.395 -3.748 1.00 0.00 H +ATOM 29 HG LEU A 2 -4.253 5.904 -4.403 1.00 0.00 H +ATOM 30 HD11 LEU A 2 -1.705 6.004 -4.864 1.00 0.00 H +ATOM 31 HD12 LEU A 2 -2.024 4.789 -6.119 1.00 0.00 H +ATOM 32 HD13 LEU A 2 -2.821 6.376 -6.183 1.00 0.00 H +ATOM 33 HD21 LEU A 2 -3.921 3.235 -5.845 1.00 0.00 H +ATOM 34 HD22 LEU A 2 -5.413 3.854 -5.094 1.00 0.00 H +ATOM 35 HD23 LEU A 2 -4.743 4.655 -6.521 1.00 0.00 H +ATOM 36 N TYR A 3 -3.936 3.389 -0.051 1.00 0.00 N +ATOM 37 CA TYR A 3 -3.430 2.642 1.105 1.00 0.00 C +ATOM 38 C TYR A 3 -3.954 1.198 1.152 1.00 0.00 C +ATOM 39 O TYR A 3 -3.201 0.279 1.464 1.00 0.00 O +ATOM 40 CB TYR A 3 -3.762 3.414 2.395 1.00 0.00 C +ATOM 41 CG TYR A 3 -2.656 3.341 3.430 1.00 0.00 C +ATOM 42 CD1 TYR A 3 -2.409 2.135 4.112 1.00 0.00 C +ATOM 43 CD2 TYR A 3 -1.845 4.468 3.678 1.00 0.00 C +ATOM 44 CE1 TYR A 3 -1.337 2.043 5.019 1.00 0.00 C +ATOM 45 CE2 TYR A 3 -0.773 4.382 4.586 1.00 0.00 C +ATOM 46 CZ TYR A 3 -0.505 3.158 5.243 1.00 0.00 C +ATOM 47 OH TYR A 3 0.567 3.040 6.071 1.00 0.00 O +ATOM 48 H TYR A 3 -4.366 4.282 0.125 1.00 0.00 H +ATOM 49 HA TYR A 3 -2.345 2.592 1.013 1.00 0.00 H +ATOM 50 HB2 TYR A 3 -3.928 4.444 2.144 1.00 0.00 H +ATOM 51 HB3 TYR A 3 -4.687 3.030 2.829 1.00 0.00 H +ATOM 52 HD1 TYR A 3 -3.032 1.273 3.926 1.00 0.00 H +ATOM 53 HD2 TYR A 3 -2.028 5.403 3.166 1.00 0.00 H +ATOM 54 HE1 TYR A 3 -1.128 1.119 5.535 1.00 0.00 H +ATOM 55 HE2 TYR A 3 -0.160 5.252 4.768 1.00 0.00 H +ATOM 56 HH TYR A 3 1.163 3.787 5.994 1.00 0.00 H +ATOM 57 N ILE A 4 -5.227 0.988 0.788 1.00 0.00 N +ATOM 58 CA ILE A 4 -5.849 -0.340 0.711 1.00 0.00 C +ATOM 59 C ILE A 4 -5.125 -1.216 -0.325 1.00 0.00 C +ATOM 60 O ILE A 4 -4.736 -2.340 -0.013 1.00 0.00 O +ATOM 61 CB ILE A 4 -7.369 -0.238 0.414 1.00 0.00 C +ATOM 62 CG1 ILE A 4 -8.095 0.818 1.288 1.00 0.00 C +ATOM 63 CG2 ILE A 4 -8.031 -1.608 0.641 1.00 0.00 C +ATOM 64 CD1 ILE A 4 -8.378 2.119 0.526 1.00 0.00 C +ATOM 65 H ILE A 4 -5.784 1.799 0.563 1.00 0.00 H +ATOM 66 HA ILE A 4 -5.728 -0.819 1.684 1.00 0.00 H +ATOM 67 HB ILE A 4 -7.507 0.023 -0.637 1.00 0.00 H +ATOM 68 HG12 ILE A 4 -9.027 0.405 1.622 1.00 0.00 H +ATOM 69 HG13 ILE A 4 -7.505 1.038 2.179 1.00 0.00 H +ATOM 70 HG21 ILE A 4 -7.517 -2.377 0.069 1.00 0.00 H +ATOM 71 HG22 ILE A 4 -7.986 -1.872 1.699 1.00 0.00 H +ATOM 72 HG23 ILE A 4 -9.075 -1.566 0.331 1.00 0.00 H +ATOM 73 HD11 ILE A 4 -7.483 2.471 0.011 1.00 0.00 H +ATOM 74 HD12 ILE A 4 -9.168 1.948 -0.207 1.00 0.00 H +ATOM 75 HD13 ILE A 4 -8.711 2.887 1.226 1.00 0.00 H +ATOM 76 N GLN A 5 -4.916 -0.702 -1.546 1.00 0.00 N +ATOM 77 CA GLN A 5 -4.150 -1.391 -2.590 1.00 0.00 C +ATOM 78 C GLN A 5 -2.691 -1.624 -2.173 1.00 0.00 C +ATOM 79 O GLN A 5 -2.176 -2.721 -2.360 1.00 0.00 O +ATOM 80 CB GLN A 5 -4.230 -0.639 -3.931 1.00 0.00 C +ATOM 81 CG GLN A 5 -5.625 -0.733 -4.579 1.00 0.00 C +ATOM 82 CD GLN A 5 -5.546 -0.884 -6.097 1.00 0.00 C +ATOM 83 OE1 GLN A 5 -5.814 -1.942 -6.641 1.00 0.00 O +ATOM 84 NE2 GLN A 5 -5.189 0.150 -6.835 1.00 0.00 N +ATOM 85 H GLN A 5 -5.185 0.257 -1.709 1.00 0.00 H +ATOM 86 HA GLN A 5 -4.580 -2.380 -2.738 1.00 0.00 H +ATOM 87 HB2 GLN A 5 -3.999 0.395 -3.760 1.00 0.00 H +ATOM 88 HB3 GLN A 5 -3.503 -1.090 -4.608 1.00 0.00 H +ATOM 89 HG2 GLN A 5 -6.138 -1.583 -4.173 1.00 0.00 H +ATOM 90 HG3 GLN A 5 -6.209 0.153 -4.330 1.00 0.00 H +ATOM 91 HE21 GLN A 5 -4.962 1.049 -6.453 1.00 0.00 H +ATOM 92 HE22 GLN A 5 -5.143 -0.061 -7.818 1.00 0.00 H +ATOM 93 N TRP A 6 -2.038 -0.638 -1.550 1.00 0.00 N +ATOM 94 CA TRP A 6 -0.680 -0.802 -1.023 1.00 0.00 C +ATOM 95 C TRP A 6 -0.581 -1.902 0.052 1.00 0.00 C +ATOM 96 O TRP A 6 0.370 -2.683 0.054 1.00 0.00 O +ATOM 97 CB TRP A 6 -0.182 0.548 -0.505 1.00 0.00 C +ATOM 98 CG TRP A 6 1.217 0.527 0.021 1.00 0.00 C +ATOM 99 CD1 TRP A 6 2.341 0.528 -0.734 1.00 0.00 C +ATOM 100 CD2 TRP A 6 1.664 0.460 1.409 1.00 0.00 C +ATOM 101 NE1 TRP A 6 3.445 0.460 0.092 1.00 0.00 N +ATOM 102 CE2 TRP A 6 3.088 0.426 1.419 1.00 0.00 C +ATOM 103 CE3 TRP A 6 1.014 0.427 2.664 1.00 0.00 C +ATOM 104 CZ2 TRP A 6 3.837 0.383 2.600 1.00 0.00 C +ATOM 105 CZ3 TRP A 6 1.756 0.370 3.860 1.00 0.00 C +ATOM 106 CH2 TRP A 6 3.163 0.355 3.831 1.00 0.00 C +ATOM 107 H TRP A 6 -2.505 0.261 -1.452 1.00 0.00 H +ATOM 108 HA TRP A 6 -0.030 -1.112 -1.845 1.00 0.00 H +ATOM 109 HB2 TRP A 6 -0.227 1.255 -1.311 1.00 0.00 H +ATOM 110 HB3 TRP A 6 -0.844 0.890 0.290 1.00 0.00 H +ATOM 111 HD1 TRP A 6 2.361 0.562 -1.814 1.00 0.00 H +ATOM 112 HE1 TRP A 6 4.420 0.464 -0.212 1.00 0.00 H +ATOM 113 HE3 TRP A 6 -0.065 0.453 2.696 1.00 0.00 H +ATOM 114 HZ2 TRP A 6 4.916 0.365 2.548 1.00 0.00 H +ATOM 115 HZ3 TRP A 6 1.242 0.352 4.811 1.00 0.00 H +ATOM 116 HH2 TRP A 6 3.723 0.327 4.755 1.00 0.00 H +ATOM 117 N LEU A 7 -1.576 -2.011 0.945 1.00 0.00 N +ATOM 118 CA LEU A 7 -1.649 -3.105 1.914 1.00 0.00 C +ATOM 119 C LEU A 7 -1.882 -4.474 1.254 1.00 0.00 C +ATOM 120 O LEU A 7 -1.265 -5.442 1.698 1.00 0.00 O +ATOM 121 CB LEU A 7 -2.712 -2.809 2.985 1.00 0.00 C +ATOM 122 CG LEU A 7 -2.272 -1.754 4.020 1.00 0.00 C +ATOM 123 CD1 LEU A 7 -3.470 -1.358 4.888 1.00 0.00 C +ATOM 124 CD2 LEU A 7 -1.166 -2.267 4.955 1.00 0.00 C +ATOM 125 H LEU A 7 -2.302 -1.297 0.951 1.00 0.00 H +ATOM 126 HA LEU A 7 -0.678 -3.182 2.402 1.00 0.00 H +ATOM 127 HB2 LEU A 7 -3.598 -2.454 2.494 1.00 0.00 H +ATOM 128 HB3 LEU A 7 -2.946 -3.732 3.519 1.00 0.00 H +ATOM 129 HG LEU A 7 -1.907 -0.864 3.508 1.00 0.00 H +ATOM 130 HD11 LEU A 7 -4.258 -0.942 4.261 1.00 0.00 H +ATOM 131 HD12 LEU A 7 -3.855 -2.232 5.416 1.00 0.00 H +ATOM 132 HD13 LEU A 7 -3.169 -0.607 5.619 1.00 0.00 H +ATOM 133 HD21 LEU A 7 -1.504 -3.160 5.481 1.00 0.00 H +ATOM 134 HD22 LEU A 7 -0.268 -2.501 4.389 1.00 0.00 H +ATOM 135 HD23 LEU A 7 -0.914 -1.496 5.684 1.00 0.00 H +ATOM 136 N LYS A 8 -2.698 -4.571 0.188 1.00 0.00 N +ATOM 137 CA LYS A 8 -2.920 -5.824 -0.568 1.00 0.00 C +ATOM 138 C LYS A 8 -1.620 -6.483 -1.050 1.00 0.00 C +ATOM 139 O LYS A 8 -1.511 -7.703 -0.966 1.00 0.00 O +ATOM 140 CB LYS A 8 -3.867 -5.590 -1.762 1.00 0.00 C +ATOM 141 CG LYS A 8 -5.354 -5.831 -1.453 1.00 0.00 C +ATOM 142 CD LYS A 8 -6.249 -4.698 -1.982 1.00 0.00 C +ATOM 143 CE LYS A 8 -7.691 -5.177 -2.180 1.00 0.00 C +ATOM 144 NZ LYS A 8 -8.665 -4.079 -1.976 1.00 0.00 N +ATOM 145 H LYS A 8 -3.180 -3.726 -0.103 1.00 0.00 H +ATOM 146 HA LYS A 8 -3.374 -6.556 0.102 1.00 0.00 H +ATOM 147 HB2 LYS A 8 -3.752 -4.574 -2.087 1.00 0.00 H +ATOM 148 HB3 LYS A 8 -3.594 -6.271 -2.572 1.00 0.00 H +ATOM 149 HG2 LYS A 8 -5.657 -6.753 -1.911 1.00 0.00 H +ATOM 150 HG3 LYS A 8 -5.512 -5.922 -0.377 1.00 0.00 H +ATOM 151 HD2 LYS A 8 -6.243 -3.889 -1.277 1.00 0.00 H +ATOM 152 HD3 LYS A 8 -5.872 -4.334 -2.938 1.00 0.00 H +ATOM 153 HE2 LYS A 8 -7.798 -5.556 -3.178 1.00 0.00 H +ATOM 154 HE3 LYS A 8 -7.897 -5.991 -1.480 1.00 0.00 H +ATOM 155 HZ1 LYS A 8 -8.685 -3.817 -0.999 1.00 0.00 H +ATOM 156 HZ2 LYS A 8 -8.405 -3.272 -2.528 1.00 0.00 H +ATOM 157 HZ3 LYS A 8 -9.592 -4.377 -2.248 1.00 0.00 H +ATOM 158 N ASP A 9 -0.639 -5.703 -1.510 1.00 0.00 N +ATOM 159 CA ASP A 9 0.688 -6.202 -1.905 1.00 0.00 C +ATOM 160 C ASP A 9 1.568 -6.674 -0.725 1.00 0.00 C +ATOM 161 O ASP A 9 2.581 -7.332 -0.959 1.00 0.00 O +ATOM 162 CB ASP A 9 1.424 -5.117 -2.708 1.00 0.00 C +ATOM 163 CG ASP A 9 1.030 -5.128 -4.186 1.00 0.00 C +ATOM 164 OD1 ASP A 9 0.004 -4.494 -4.518 1.00 0.00 O +ATOM 165 OD2 ASP A 9 1.768 -5.764 -4.970 1.00 0.00 O +ATOM 166 H ASP A 9 -0.835 -4.715 -1.632 1.00 0.00 H +ATOM 167 HA ASP A 9 0.559 -7.070 -2.554 1.00 0.00 H +ATOM 168 HB2 ASP A 9 1.184 -4.157 -2.293 1.00 0.00 H +ATOM 169 HB3 ASP A 9 2.495 -5.299 -2.651 1.00 0.00 H +ATOM 170 N GLY A 10 1.193 -6.382 0.530 1.00 0.00 N +ATOM 171 CA GLY A 10 1.971 -6.722 1.726 1.00 0.00 C +ATOM 172 C GLY A 10 2.536 -5.512 2.484 1.00 0.00 C +ATOM 173 O GLY A 10 3.434 -5.686 3.319 1.00 0.00 O +ATOM 174 H GLY A 10 0.285 -5.945 0.663 1.00 0.00 H +ATOM 175 HA2 GLY A 10 1.329 -7.276 2.410 1.00 0.00 H +ATOM 176 HA3 GLY A 10 2.805 -7.370 1.457 1.00 0.00 H +ATOM 177 N GLY A 11 2.052 -4.294 2.195 1.00 0.00 N +ATOM 178 CA GLY A 11 2.478 -3.045 2.826 1.00 0.00 C +ATOM 179 C GLY A 11 4.005 -2.879 2.813 1.00 0.00 C +ATOM 180 O GLY A 11 4.582 -2.906 1.721 1.00 0.00 O +ATOM 181 H GLY A 11 1.402 -4.219 1.418 1.00 0.00 H +ATOM 182 HA2 GLY A 11 2.046 -2.213 2.270 1.00 0.00 H +ATOM 183 HA3 GLY A 11 2.084 -3.016 3.839 1.00 0.00 H +ATOM 184 N PRO A 12 4.692 -2.759 3.973 1.00 0.00 N +ATOM 185 CA PRO A 12 6.152 -2.629 4.039 1.00 0.00 C +ATOM 186 C PRO A 12 6.923 -3.746 3.321 1.00 0.00 C +ATOM 187 O PRO A 12 8.027 -3.514 2.831 1.00 0.00 O +ATOM 188 CB PRO A 12 6.510 -2.622 5.531 1.00 0.00 C +ATOM 189 CG PRO A 12 5.218 -2.200 6.225 1.00 0.00 C +ATOM 190 CD PRO A 12 4.129 -2.762 5.317 1.00 0.00 C +ATOM 191 HA PRO A 12 6.435 -1.671 3.598 1.00 0.00 H +ATOM 192 HB2 PRO A 12 6.814 -3.599 5.854 1.00 0.00 H +ATOM 193 HB3 PRO A 12 7.322 -1.925 5.744 1.00 0.00 H +ATOM 194 HG2 PRO A 12 5.154 -2.624 7.209 1.00 0.00 H +ATOM 195 HG3 PRO A 12 5.152 -1.112 6.247 1.00 0.00 H +ATOM 196 HD2 PRO A 12 3.874 -3.761 5.613 1.00 0.00 H +ATOM 197 HD3 PRO A 12 3.237 -2.141 5.389 1.00 0.00 H +ATOM 198 N SER A 13 6.342 -4.949 3.227 1.00 0.00 N +ATOM 199 CA SER A 13 6.953 -6.108 2.565 1.00 0.00 C +ATOM 200 C SER A 13 6.835 -6.089 1.028 1.00 0.00 C +ATOM 201 O SER A 13 7.310 -7.013 0.372 1.00 0.00 O +ATOM 202 CB SER A 13 6.418 -7.407 3.189 1.00 0.00 C +ATOM 203 OG SER A 13 5.049 -7.646 2.925 1.00 0.00 O +ATOM 204 H SER A 13 5.398 -5.042 3.586 1.00 0.00 H +ATOM 205 HA SER A 13 8.021 -6.087 2.780 1.00 0.00 H +ATOM 206 HB2 SER A 13 6.986 -8.229 2.798 1.00 0.00 H +ATOM 207 HB3 SER A 13 6.570 -7.367 4.269 1.00 0.00 H +ATOM 208 HG SER A 13 4.491 -6.875 3.179 1.00 0.00 H +ATOM 209 N SER A 14 6.261 -5.024 0.445 1.00 0.00 N +ATOM 210 CA SER A 14 5.991 -4.891 -1.000 1.00 0.00 C +ATOM 211 C SER A 14 7.137 -4.279 -1.817 1.00 0.00 C +ATOM 212 O SER A 14 7.039 -4.212 -3.040 1.00 0.00 O +ATOM 213 CB SER A 14 4.767 -3.997 -1.251 1.00 0.00 C +ATOM 214 OG SER A 14 3.740 -4.198 -0.309 1.00 0.00 O +ATOM 215 H SER A 14 5.896 -4.305 1.059 1.00 0.00 H +ATOM 216 HA SER A 14 5.772 -5.881 -1.404 1.00 0.00 H +ATOM 217 HB2 SER A 14 5.077 -2.971 -1.206 1.00 0.00 H +ATOM 218 HB3 SER A 14 4.387 -4.198 -2.253 1.00 0.00 H +ATOM 219 HG SER A 14 3.989 -3.688 0.498 1.00 0.00 H +ATOM 220 N GLY A 15 8.190 -3.753 -1.173 1.00 0.00 N +ATOM 221 CA GLY A 15 9.278 -3.048 -1.864 1.00 0.00 C +ATOM 222 C GLY A 15 8.923 -1.636 -2.363 1.00 0.00 C +ATOM 223 O GLY A 15 9.597 -1.125 -3.256 1.00 0.00 O +ATOM 224 H GLY A 15 8.230 -3.874 -0.169 1.00 0.00 H +ATOM 225 HA2 GLY A 15 10.132 -2.963 -1.193 1.00 0.00 H +ATOM 226 HA3 GLY A 15 9.593 -3.638 -2.728 1.00 0.00 H +ATOM 227 N ARG A 16 7.874 -1.002 -1.812 1.00 0.00 N +ATOM 228 CA ARG A 16 7.382 0.330 -2.201 1.00 0.00 C +ATOM 229 C ARG A 16 6.915 1.120 -0.964 1.00 0.00 C +ATOM 230 O ARG A 16 6.231 0.524 -0.128 1.00 0.00 O +ATOM 231 CB ARG A 16 6.224 0.134 -3.199 1.00 0.00 C +ATOM 232 CG ARG A 16 5.717 1.452 -3.807 1.00 0.00 C +ATOM 233 CD ARG A 16 4.513 1.235 -4.737 1.00 0.00 C +ATOM 234 NE ARG A 16 4.760 1.773 -6.087 1.00 0.00 N +ATOM 235 CZ ARG A 16 5.414 1.176 -7.078 1.00 0.00 C +ATOM 236 NH1 ARG A 16 5.904 -0.036 -6.958 1.00 0.00 N +ATOM 237 NH2 ARG A 16 5.592 1.801 -8.218 1.00 0.00 N +ATOM 238 H ARG A 16 7.386 -1.480 -1.068 1.00 0.00 H +ATOM 239 HA ARG A 16 8.193 0.866 -2.695 1.00 0.00 H +ATOM 240 HB2 ARG A 16 6.564 -0.500 -3.995 1.00 0.00 H +ATOM 241 HB3 ARG A 16 5.397 -0.368 -2.693 1.00 0.00 H +ATOM 242 HG2 ARG A 16 5.425 2.110 -3.011 1.00 0.00 H +ATOM 243 HG3 ARG A 16 6.533 1.921 -4.356 1.00 0.00 H +ATOM 244 HD2 ARG A 16 4.318 0.183 -4.813 1.00 0.00 H +ATOM 245 HD3 ARG A 16 3.650 1.750 -4.307 1.00 0.00 H +ATOM 246 HE ARG A 16 4.417 2.701 -6.269 1.00 0.00 H +ATOM 247 HH11 ARG A 16 5.763 -0.524 -6.091 1.00 0.00 H +ATOM 248 HH12 ARG A 16 6.395 -0.483 -7.711 1.00 0.00 H +ATOM 249 HH21 ARG A 16 5.241 2.733 -8.353 1.00 0.00 H +ATOM 250 HH22 ARG A 16 6.087 1.345 -8.963 1.00 0.00 H +ATOM 251 N PRO A 17 7.201 2.434 -0.845 1.00 0.00 N +ATOM 252 CA PRO A 17 6.709 3.260 0.266 1.00 0.00 C +ATOM 253 C PRO A 17 5.174 3.417 0.252 1.00 0.00 C +ATOM 254 O PRO A 17 4.553 3.245 -0.801 1.00 0.00 O +ATOM 255 CB PRO A 17 7.409 4.616 0.102 1.00 0.00 C +ATOM 256 CG PRO A 17 7.686 4.697 -1.397 1.00 0.00 C +ATOM 257 CD PRO A 17 7.996 3.247 -1.757 1.00 0.00 C +ATOM 258 HA PRO A 17 7.014 2.807 1.209 1.00 0.00 H +ATOM 259 HB2 PRO A 17 6.770 5.418 0.418 1.00 0.00 H +ATOM 260 HB3 PRO A 17 8.355 4.606 0.646 1.00 0.00 H +ATOM 261 HG2 PRO A 17 6.826 5.053 -1.931 1.00 0.00 H +ATOM 262 HG3 PRO A 17 8.523 5.360 -1.621 1.00 0.00 H +ATOM 263 HD2 PRO A 17 7.719 3.047 -2.774 1.00 0.00 H +ATOM 264 HD3 PRO A 17 9.056 3.045 -1.589 1.00 0.00 H +ATOM 265 N PRO A 18 4.551 3.769 1.395 1.00 0.00 N +ATOM 266 CA PRO A 18 3.107 3.972 1.479 1.00 0.00 C +ATOM 267 C PRO A 18 2.667 5.246 0.736 1.00 0.00 C +ATOM 268 O PRO A 18 3.406 6.231 0.715 1.00 0.00 O +ATOM 269 CB PRO A 18 2.790 4.070 2.975 1.00 0.00 C +ATOM 270 CG PRO A 18 4.088 4.608 3.577 1.00 0.00 C +ATOM 271 CD PRO A 18 5.169 3.986 2.696 1.00 0.00 C +ATOM 272 HA PRO A 18 2.605 3.104 1.061 1.00 0.00 H +ATOM 273 HB2 PRO A 18 1.976 4.746 3.152 1.00 0.00 H +ATOM 274 HB3 PRO A 18 2.591 3.076 3.371 1.00 0.00 H +ATOM 275 HG2 PRO A 18 4.120 5.679 3.526 1.00 0.00 H +ATOM 276 HG3 PRO A 18 4.200 4.315 4.621 1.00 0.00 H +ATOM 277 HD2 PRO A 18 6.005 4.652 2.605 1.00 0.00 H +ATOM 278 HD3 PRO A 18 5.478 3.028 3.113 1.00 0.00 H +ATOM 279 N PRO A 19 1.453 5.261 0.157 1.00 0.00 N +ATOM 280 CA PRO A 19 0.895 6.437 -0.497 1.00 0.00 C +ATOM 281 C PRO A 19 0.313 7.426 0.527 1.00 0.00 C +ATOM 282 O PRO A 19 -0.289 7.024 1.526 1.00 0.00 O +ATOM 283 CB PRO A 19 -0.191 5.879 -1.419 1.00 0.00 C +ATOM 284 CG PRO A 19 -0.709 4.662 -0.648 1.00 0.00 C +ATOM 285 CD PRO A 19 0.528 4.140 0.072 1.00 0.00 C +ATOM 286 HA PRO A 19 1.661 6.937 -1.093 1.00 0.00 H +ATOM 287 HB2 PRO A 19 -0.972 6.598 -1.574 1.00 0.00 H +ATOM 288 HB3 PRO A 19 0.264 5.549 -2.354 1.00 0.00 H +ATOM 289 HG2 PRO A 19 -1.469 4.948 0.054 1.00 0.00 H +ATOM 290 HG3 PRO A 19 -1.113 3.904 -1.316 1.00 0.00 H +ATOM 291 HD2 PRO A 19 0.269 3.796 1.055 1.00 0.00 H +ATOM 292 HD3 PRO A 19 0.983 3.342 -0.516 1.00 0.00 H +ATOM 293 N SER A 20 0.435 8.721 0.221 1.00 0.00 N +ATOM 294 CA SER A 20 -0.096 9.858 0.986 1.00 0.00 C +ATOM 295 C SER A 20 -0.738 10.863 0.030 1.00 0.00 C +ATOM 296 O SER A 20 0.078 11.508 -0.677 1.00 0.00 O +ATOM 297 CB SER A 20 1.036 10.515 1.790 1.00 0.00 C +ATOM 298 OG SER A 20 1.921 11.080 0.848 1.00 0.00 O +ATOM 299 OXT SER A 20 -1.985 10.935 0.010 1.00 0.00 O +ATOM 300 H SER A 20 0.966 8.976 -0.599 1.00 0.00 H +ATOM 301 HA SER A 20 -0.871 9.518 1.672 1.00 0.00 H +ATOM 302 HB2 SER A 20 0.640 11.279 2.431 1.00 0.00 H +ATOM 303 HB3 SER A 20 1.548 9.780 2.415 1.00 0.00 H +ATOM 304 HG SER A 20 1.284 11.357 0.104 1.00 0.00 H +TER 305 SER A 20 +ENDMDL +MODEL 16 +ATOM 1 N ASN A 1 -8.985 3.821 -0.843 1.00 0.00 N +ATOM 2 CA ASN A 1 -8.461 2.997 -1.957 1.00 0.00 C +ATOM 3 C ASN A 1 -6.942 2.892 -1.960 1.00 0.00 C +ATOM 4 O ASN A 1 -6.453 1.798 -1.714 1.00 0.00 O +ATOM 5 CB ASN A 1 -9.056 3.439 -3.298 1.00 0.00 C +ATOM 6 CG ASN A 1 -10.516 3.025 -3.296 1.00 0.00 C +ATOM 7 OD1 ASN A 1 -11.303 3.596 -2.558 1.00 0.00 O +ATOM 8 ND2 ASN A 1 -10.879 1.968 -3.997 1.00 0.00 N +ATOM 9 H1 ASN A 1 -8.630 3.491 0.044 1.00 0.00 H +ATOM 10 H2 ASN A 1 -8.733 4.791 -0.971 1.00 0.00 H +ATOM 11 H3 ASN A 1 -9.999 3.760 -0.843 1.00 0.00 H +ATOM 12 HA ASN A 1 -8.800 1.972 -1.795 1.00 0.00 H +ATOM 13 HB2 ASN A 1 -8.975 4.504 -3.404 1.00 0.00 H +ATOM 14 HB3 ASN A 1 -8.543 2.956 -4.125 1.00 0.00 H +ATOM 15 HD21 ASN A 1 -10.234 1.458 -4.583 1.00 0.00 H +ATOM 16 HD22 ASN A 1 -11.851 1.711 -3.928 1.00 0.00 H +ATOM 17 N LEU A 2 -6.201 3.988 -2.170 1.00 0.00 N +ATOM 18 CA LEU A 2 -4.729 4.023 -2.199 1.00 0.00 C +ATOM 19 C LEU A 2 -4.037 3.168 -1.116 1.00 0.00 C +ATOM 20 O LEU A 2 -3.314 2.226 -1.445 1.00 0.00 O +ATOM 21 CB LEU A 2 -4.249 5.491 -2.208 1.00 0.00 C +ATOM 22 CG LEU A 2 -4.830 6.411 -1.102 1.00 0.00 C +ATOM 23 CD1 LEU A 2 -3.744 6.981 -0.191 1.00 0.00 C +ATOM 24 CD2 LEU A 2 -5.610 7.577 -1.716 1.00 0.00 C +ATOM 25 H LEU A 2 -6.656 4.854 -2.419 1.00 0.00 H +ATOM 26 HA LEU A 2 -4.416 3.587 -3.149 1.00 0.00 H +ATOM 27 HB2 LEU A 2 -3.181 5.487 -2.102 1.00 0.00 H +ATOM 28 HB3 LEU A 2 -4.495 5.911 -3.186 1.00 0.00 H +ATOM 29 HG LEU A 2 -5.519 5.848 -0.473 1.00 0.00 H +ATOM 30 HD11 LEU A 2 -3.233 6.180 0.339 1.00 0.00 H +ATOM 31 HD12 LEU A 2 -3.013 7.542 -0.773 1.00 0.00 H +ATOM 32 HD13 LEU A 2 -4.187 7.648 0.549 1.00 0.00 H +ATOM 33 HD21 LEU A 2 -4.940 8.203 -2.305 1.00 0.00 H +ATOM 34 HD22 LEU A 2 -6.406 7.203 -2.358 1.00 0.00 H +ATOM 35 HD23 LEU A 2 -6.050 8.182 -0.924 1.00 0.00 H +ATOM 36 N TYR A 3 -4.276 3.462 0.168 1.00 0.00 N +ATOM 37 CA TYR A 3 -3.662 2.734 1.282 1.00 0.00 C +ATOM 38 C TYR A 3 -4.055 1.248 1.304 1.00 0.00 C +ATOM 39 O TYR A 3 -3.199 0.393 1.521 1.00 0.00 O +ATOM 40 CB TYR A 3 -4.017 3.443 2.599 1.00 0.00 C +ATOM 41 CG TYR A 3 -3.241 2.974 3.819 1.00 0.00 C +ATOM 42 CD1 TYR A 3 -1.832 2.899 3.785 1.00 0.00 C +ATOM 43 CD2 TYR A 3 -3.928 2.662 5.010 1.00 0.00 C +ATOM 44 CE1 TYR A 3 -1.115 2.469 4.918 1.00 0.00 C +ATOM 45 CE2 TYR A 3 -3.214 2.261 6.153 1.00 0.00 C +ATOM 46 CZ TYR A 3 -1.810 2.142 6.104 1.00 0.00 C +ATOM 47 OH TYR A 3 -1.150 1.670 7.197 1.00 0.00 O +ATOM 48 H TYR A 3 -4.837 4.272 0.378 1.00 0.00 H +ATOM 49 HA TYR A 3 -2.581 2.779 1.145 1.00 0.00 H +ATOM 50 HB2 TYR A 3 -3.831 4.492 2.471 1.00 0.00 H +ATOM 51 HB3 TYR A 3 -5.087 3.318 2.784 1.00 0.00 H +ATOM 52 HD1 TYR A 3 -1.288 3.179 2.895 1.00 0.00 H +ATOM 53 HD2 TYR A 3 -5.005 2.735 5.060 1.00 0.00 H +ATOM 54 HE1 TYR A 3 -0.037 2.418 4.887 1.00 0.00 H +ATOM 55 HE2 TYR A 3 -3.725 2.015 7.071 1.00 0.00 H +ATOM 56 HH TYR A 3 -0.473 1.035 6.968 1.00 0.00 H +ATOM 57 N ILE A 4 -5.324 0.935 1.003 1.00 0.00 N +ATOM 58 CA ILE A 4 -5.835 -0.433 0.848 1.00 0.00 C +ATOM 59 C ILE A 4 -5.070 -1.165 -0.259 1.00 0.00 C +ATOM 60 O ILE A 4 -4.556 -2.249 -0.010 1.00 0.00 O +ATOM 61 CB ILE A 4 -7.373 -0.454 0.628 1.00 0.00 C +ATOM 62 CG1 ILE A 4 -8.119 0.069 1.882 1.00 0.00 C +ATOM 63 CG2 ILE A 4 -7.865 -1.878 0.304 1.00 0.00 C +ATOM 64 CD1 ILE A 4 -8.406 1.577 1.860 1.00 0.00 C +ATOM 65 H ILE A 4 -5.933 1.699 0.766 1.00 0.00 H +ATOM 66 HA ILE A 4 -5.626 -0.976 1.772 1.00 0.00 H +ATOM 67 HB ILE A 4 -7.639 0.170 -0.222 1.00 0.00 H +ATOM 68 HG12 ILE A 4 -9.055 -0.451 1.958 1.00 0.00 H +ATOM 69 HG13 ILE A 4 -7.537 -0.172 2.773 1.00 0.00 H +ATOM 70 HG21 ILE A 4 -7.467 -2.211 -0.654 1.00 0.00 H +ATOM 71 HG22 ILE A 4 -7.552 -2.574 1.084 1.00 0.00 H +ATOM 72 HG23 ILE A 4 -8.953 -1.892 0.229 1.00 0.00 H +ATOM 73 HD11 ILE A 4 -7.613 2.129 1.361 1.00 0.00 H +ATOM 74 HD12 ILE A 4 -9.347 1.759 1.338 1.00 0.00 H +ATOM 75 HD13 ILE A 4 -8.496 1.941 2.884 1.00 0.00 H +ATOM 76 N GLN A 5 -4.953 -0.577 -1.456 1.00 0.00 N +ATOM 77 CA GLN A 5 -4.193 -1.137 -2.578 1.00 0.00 C +ATOM 78 C GLN A 5 -2.737 -1.444 -2.205 1.00 0.00 C +ATOM 79 O GLN A 5 -2.269 -2.544 -2.502 1.00 0.00 O +ATOM 80 CB GLN A 5 -4.275 -0.188 -3.786 1.00 0.00 C +ATOM 81 CG GLN A 5 -5.565 -0.416 -4.589 1.00 0.00 C +ATOM 82 CD GLN A 5 -5.973 0.808 -5.398 1.00 0.00 C +ATOM 83 OE1 GLN A 5 -7.023 1.388 -5.178 1.00 0.00 O +ATOM 84 NE2 GLN A 5 -5.173 1.247 -6.352 1.00 0.00 N +ATOM 85 H GLN A 5 -5.394 0.332 -1.576 1.00 0.00 H +ATOM 86 HA GLN A 5 -4.644 -2.090 -2.855 1.00 0.00 H +ATOM 87 HB2 GLN A 5 -4.256 0.826 -3.436 1.00 0.00 H +ATOM 88 HB3 GLN A 5 -3.423 -0.354 -4.446 1.00 0.00 H +ATOM 89 HG2 GLN A 5 -5.411 -1.237 -5.262 1.00 0.00 H +ATOM 90 HG3 GLN A 5 -6.383 -0.657 -3.908 1.00 0.00 H +ATOM 91 HE21 GLN A 5 -4.298 0.808 -6.577 1.00 0.00 H +ATOM 92 HE22 GLN A 5 -5.526 2.044 -6.855 1.00 0.00 H +ATOM 93 N TRP A 6 -2.045 -0.512 -1.537 1.00 0.00 N +ATOM 94 CA TRP A 6 -0.676 -0.717 -1.051 1.00 0.00 C +ATOM 95 C TRP A 6 -0.574 -1.823 0.011 1.00 0.00 C +ATOM 96 O TRP A 6 0.277 -2.708 -0.097 1.00 0.00 O +ATOM 97 CB TRP A 6 -0.129 0.610 -0.523 1.00 0.00 C +ATOM 98 CG TRP A 6 1.281 0.547 -0.017 1.00 0.00 C +ATOM 99 CD1 TRP A 6 2.388 0.529 -0.785 1.00 0.00 C +ATOM 100 CD2 TRP A 6 1.751 0.483 1.369 1.00 0.00 C +ATOM 101 NE1 TRP A 6 3.510 0.450 0.021 1.00 0.00 N +ATOM 102 CE2 TRP A 6 3.175 0.431 1.351 1.00 0.00 C +ATOM 103 CE3 TRP A 6 1.129 0.466 2.636 1.00 0.00 C +ATOM 104 CZ2 TRP A 6 3.949 0.390 2.518 1.00 0.00 C +ATOM 105 CZ3 TRP A 6 1.894 0.408 3.818 1.00 0.00 C +ATOM 106 CH2 TRP A 6 3.300 0.384 3.763 1.00 0.00 C +ATOM 107 H TRP A 6 -2.501 0.381 -1.357 1.00 0.00 H +ATOM 108 HA TRP A 6 -0.053 -1.031 -1.891 1.00 0.00 H +ATOM 109 HB2 TRP A 6 -0.167 1.328 -1.319 1.00 0.00 H +ATOM 110 HB3 TRP A 6 -0.772 0.969 0.281 1.00 0.00 H +ATOM 111 HD1 TRP A 6 2.399 0.570 -1.868 1.00 0.00 H +ATOM 112 HE1 TRP A 6 4.480 0.455 -0.290 1.00 0.00 H +ATOM 113 HE3 TRP A 6 0.051 0.501 2.690 1.00 0.00 H +ATOM 114 HZ2 TRP A 6 5.027 0.361 2.446 1.00 0.00 H +ATOM 115 HZ3 TRP A 6 1.403 0.391 4.779 1.00 0.00 H +ATOM 116 HH2 TRP A 6 3.881 0.356 4.673 1.00 0.00 H +ATOM 117 N LEU A 7 -1.457 -1.813 1.020 1.00 0.00 N +ATOM 118 CA LEU A 7 -1.515 -2.880 2.022 1.00 0.00 C +ATOM 119 C LEU A 7 -1.825 -4.246 1.392 1.00 0.00 C +ATOM 120 O LEU A 7 -1.201 -5.233 1.781 1.00 0.00 O +ATOM 121 CB LEU A 7 -2.540 -2.533 3.116 1.00 0.00 C +ATOM 122 CG LEU A 7 -2.096 -1.425 4.093 1.00 0.00 C +ATOM 123 CD1 LEU A 7 -3.250 -1.130 5.052 1.00 0.00 C +ATOM 124 CD2 LEU A 7 -0.870 -1.826 4.923 1.00 0.00 C +ATOM 125 H LEU A 7 -2.129 -1.050 1.079 1.00 0.00 H +ATOM 126 HA LEU A 7 -0.530 -2.978 2.476 1.00 0.00 H +ATOM 127 HB2 LEU A 7 -3.444 -2.212 2.636 1.00 0.00 H +ATOM 128 HB3 LEU A 7 -2.739 -3.435 3.698 1.00 0.00 H +ATOM 129 HG LEU A 7 -1.858 -0.515 3.546 1.00 0.00 H +ATOM 130 HD11 LEU A 7 -4.089 -0.709 4.497 1.00 0.00 H +ATOM 131 HD12 LEU A 7 -3.566 -2.044 5.557 1.00 0.00 H +ATOM 132 HD13 LEU A 7 -2.934 -0.410 5.803 1.00 0.00 H +ATOM 133 HD21 LEU A 7 -1.062 -2.759 5.451 1.00 0.00 H +ATOM 134 HD22 LEU A 7 0.000 -1.946 4.281 1.00 0.00 H +ATOM 135 HD23 LEU A 7 -0.647 -1.045 5.648 1.00 0.00 H +ATOM 136 N LYS A 8 -2.718 -4.307 0.394 1.00 0.00 N +ATOM 137 CA LYS A 8 -3.085 -5.532 -0.333 1.00 0.00 C +ATOM 138 C LYS A 8 -1.882 -6.223 -0.984 1.00 0.00 C +ATOM 139 O LYS A 8 -1.848 -7.448 -1.047 1.00 0.00 O +ATOM 140 CB LYS A 8 -4.149 -5.208 -1.398 1.00 0.00 C +ATOM 141 CG LYS A 8 -4.972 -6.445 -1.780 1.00 0.00 C +ATOM 142 CD LYS A 8 -5.913 -6.206 -2.971 1.00 0.00 C +ATOM 143 CE LYS A 8 -5.170 -6.233 -4.317 1.00 0.00 C +ATOM 144 NZ LYS A 8 -4.735 -4.890 -4.767 1.00 0.00 N +ATOM 145 H LYS A 8 -3.216 -3.446 0.170 1.00 0.00 H +ATOM 146 HA LYS A 8 -3.506 -6.236 0.387 1.00 0.00 H +ATOM 147 HB2 LYS A 8 -4.811 -4.457 -1.010 1.00 0.00 H +ATOM 148 HB3 LYS A 8 -3.649 -4.799 -2.275 1.00 0.00 H +ATOM 149 HG2 LYS A 8 -4.296 -7.239 -2.034 1.00 0.00 H +ATOM 150 HG3 LYS A 8 -5.577 -6.724 -0.915 1.00 0.00 H +ATOM 151 HD2 LYS A 8 -6.664 -6.972 -2.976 1.00 0.00 H +ATOM 152 HD3 LYS A 8 -6.467 -5.274 -2.843 1.00 0.00 H +ATOM 153 HE2 LYS A 8 -4.303 -6.857 -4.216 1.00 0.00 H +ATOM 154 HE3 LYS A 8 -5.841 -6.664 -5.066 1.00 0.00 H +ATOM 155 HZ1 LYS A 8 -5.540 -4.295 -4.905 1.00 0.00 H +ATOM 156 HZ2 LYS A 8 -4.116 -4.470 -4.084 1.00 0.00 H +ATOM 157 HZ3 LYS A 8 -4.232 -4.964 -5.642 1.00 0.00 H +ATOM 158 N ASP A 9 -0.902 -5.444 -1.456 1.00 0.00 N +ATOM 159 CA ASP A 9 0.348 -5.945 -2.038 1.00 0.00 C +ATOM 160 C ASP A 9 1.310 -6.525 -0.977 1.00 0.00 C +ATOM 161 O ASP A 9 2.208 -7.294 -1.310 1.00 0.00 O +ATOM 162 CB ASP A 9 1.013 -4.797 -2.817 1.00 0.00 C +ATOM 163 CG ASP A 9 1.703 -5.285 -4.093 1.00 0.00 C +ATOM 164 OD1 ASP A 9 0.950 -5.620 -5.038 1.00 0.00 O +ATOM 165 OD2 ASP A 9 2.951 -5.273 -4.135 1.00 0.00 O +ATOM 166 H ASP A 9 -1.024 -4.442 -1.395 1.00 0.00 H +ATOM 167 HA ASP A 9 0.107 -6.748 -2.738 1.00 0.00 H +ATOM 168 HB2 ASP A 9 0.261 -4.080 -3.084 1.00 0.00 H +ATOM 169 HB3 ASP A 9 1.722 -4.274 -2.176 1.00 0.00 H +ATOM 170 N GLY A 10 1.095 -6.194 0.306 1.00 0.00 N +ATOM 171 CA GLY A 10 1.925 -6.595 1.444 1.00 0.00 C +ATOM 172 C GLY A 10 2.500 -5.422 2.247 1.00 0.00 C +ATOM 173 O GLY A 10 3.312 -5.648 3.146 1.00 0.00 O +ATOM 174 H GLY A 10 0.256 -5.661 0.510 1.00 0.00 H +ATOM 175 HA2 GLY A 10 1.317 -7.196 2.118 1.00 0.00 H +ATOM 176 HA3 GLY A 10 2.758 -7.207 1.101 1.00 0.00 H +ATOM 177 N GLY A 11 2.118 -4.173 1.938 1.00 0.00 N +ATOM 178 CA GLY A 11 2.643 -2.980 2.600 1.00 0.00 C +ATOM 179 C GLY A 11 4.177 -2.920 2.520 1.00 0.00 C +ATOM 180 O GLY A 11 4.704 -2.996 1.404 1.00 0.00 O +ATOM 181 H GLY A 11 1.494 -4.036 1.148 1.00 0.00 H +ATOM 182 HA2 GLY A 11 2.239 -2.102 2.100 1.00 0.00 H +ATOM 183 HA3 GLY A 11 2.298 -2.976 3.632 1.00 0.00 H +ATOM 184 N PRO A 12 4.917 -2.819 3.647 1.00 0.00 N +ATOM 185 CA PRO A 12 6.382 -2.799 3.646 1.00 0.00 C +ATOM 186 C PRO A 12 7.030 -4.001 2.943 1.00 0.00 C +ATOM 187 O PRO A 12 8.063 -3.835 2.294 1.00 0.00 O +ATOM 188 CB PRO A 12 6.809 -2.746 5.118 1.00 0.00 C +ATOM 189 CG PRO A 12 5.582 -2.203 5.844 1.00 0.00 C +ATOM 190 CD PRO A 12 4.419 -2.739 5.012 1.00 0.00 C +ATOM 191 HA PRO A 12 6.713 -1.886 3.148 1.00 0.00 H +ATOM 192 HB2 PRO A 12 7.061 -3.725 5.477 1.00 0.00 H +ATOM 193 HB3 PRO A 12 7.675 -2.096 5.258 1.00 0.00 H +ATOM 194 HG2 PRO A 12 5.537 -2.571 6.851 1.00 0.00 H +ATOM 195 HG3 PRO A 12 5.587 -1.112 5.807 1.00 0.00 H +ATOM 196 HD2 PRO A 12 4.125 -3.710 5.361 1.00 0.00 H +ATOM 197 HD3 PRO A 12 3.565 -2.068 5.100 1.00 0.00 H +ATOM 198 N SER A 13 6.415 -5.193 3.014 1.00 0.00 N +ATOM 199 CA SER A 13 6.932 -6.420 2.383 1.00 0.00 C +ATOM 200 C SER A 13 7.055 -6.302 0.860 1.00 0.00 C +ATOM 201 O SER A 13 7.865 -6.999 0.255 1.00 0.00 O +ATOM 202 CB SER A 13 6.032 -7.613 2.710 1.00 0.00 C +ATOM 203 OG SER A 13 5.997 -7.832 4.106 1.00 0.00 O +ATOM 204 H SER A 13 5.544 -5.278 3.527 1.00 0.00 H +ATOM 205 HA SER A 13 7.927 -6.625 2.782 1.00 0.00 H +ATOM 206 HB2 SER A 13 5.038 -7.414 2.358 1.00 0.00 H +ATOM 207 HB3 SER A 13 6.424 -8.504 2.218 1.00 0.00 H +ATOM 208 HG SER A 13 5.429 -8.585 4.283 1.00 0.00 H +ATOM 209 N SER A 14 6.287 -5.390 0.254 1.00 0.00 N +ATOM 210 CA SER A 14 6.322 -5.050 -1.172 1.00 0.00 C +ATOM 211 C SER A 14 7.593 -4.289 -1.582 1.00 0.00 C +ATOM 212 O SER A 14 7.834 -4.108 -2.773 1.00 0.00 O +ATOM 213 CB SER A 14 5.101 -4.192 -1.567 1.00 0.00 C +ATOM 214 OG SER A 14 4.017 -4.292 -0.662 1.00 0.00 O +ATOM 215 H SER A 14 5.633 -4.881 0.831 1.00 0.00 H +ATOM 216 HA SER A 14 6.280 -5.977 -1.745 1.00 0.00 H +ATOM 217 HB2 SER A 14 5.409 -3.165 -1.614 1.00 0.00 H +ATOM 218 HB3 SER A 14 4.775 -4.489 -2.563 1.00 0.00 H +ATOM 219 HG SER A 14 4.222 -3.726 0.121 1.00 0.00 H +ATOM 220 N GLY A 15 8.386 -3.785 -0.622 1.00 0.00 N +ATOM 221 CA GLY A 15 9.603 -3.011 -0.885 1.00 0.00 C +ATOM 222 C GLY A 15 9.362 -1.593 -1.427 1.00 0.00 C +ATOM 223 O GLY A 15 10.306 -0.952 -1.881 1.00 0.00 O +ATOM 224 H GLY A 15 8.154 -3.973 0.353 1.00 0.00 H +ATOM 225 HA2 GLY A 15 10.169 -2.923 0.042 1.00 0.00 H +ATOM 226 HA3 GLY A 15 10.220 -3.549 -1.606 1.00 0.00 H +ATOM 227 N ARG A 16 8.117 -1.096 -1.381 1.00 0.00 N +ATOM 228 CA ARG A 16 7.691 0.212 -1.899 1.00 0.00 C +ATOM 229 C ARG A 16 7.091 1.060 -0.764 1.00 0.00 C +ATOM 230 O ARG A 16 6.300 0.516 0.009 1.00 0.00 O +ATOM 231 CB ARG A 16 6.671 -0.025 -3.030 1.00 0.00 C +ATOM 232 CG ARG A 16 6.236 1.275 -3.721 1.00 0.00 C +ATOM 233 CD ARG A 16 5.149 1.034 -4.770 1.00 0.00 C +ATOM 234 NE ARG A 16 4.730 2.310 -5.382 1.00 0.00 N +ATOM 235 CZ ARG A 16 3.684 2.515 -6.172 1.00 0.00 C +ATOM 236 NH1 ARG A 16 2.874 1.539 -6.511 1.00 0.00 N +ATOM 237 NH2 ARG A 16 3.433 3.717 -6.637 1.00 0.00 N +ATOM 238 H ARG A 16 7.418 -1.684 -0.950 1.00 0.00 H +ATOM 239 HA ARG A 16 8.564 0.718 -2.312 1.00 0.00 H +ATOM 240 HB2 ARG A 16 7.115 -0.671 -3.763 1.00 0.00 H +ATOM 241 HB3 ARG A 16 5.791 -0.523 -2.617 1.00 0.00 H +ATOM 242 HG2 ARG A 16 5.857 1.951 -2.979 1.00 0.00 H +ATOM 243 HG3 ARG A 16 7.100 1.731 -4.204 1.00 0.00 H +ATOM 244 HD2 ARG A 16 5.533 0.385 -5.534 1.00 0.00 H +ATOM 245 HD3 ARG A 16 4.293 0.562 -4.283 1.00 0.00 H +ATOM 246 HE ARG A 16 5.293 3.114 -5.162 1.00 0.00 H +ATOM 247 HH11 ARG A 16 3.073 0.618 -6.161 1.00 0.00 H +ATOM 248 HH12 ARG A 16 2.086 1.696 -7.110 1.00 0.00 H +ATOM 249 HH21 ARG A 16 4.029 4.490 -6.397 1.00 0.00 H +ATOM 250 HH22 ARG A 16 2.642 3.867 -7.235 1.00 0.00 H +ATOM 251 N PRO A 17 7.386 2.375 -0.671 1.00 0.00 N +ATOM 252 CA PRO A 17 6.796 3.253 0.346 1.00 0.00 C +ATOM 253 C PRO A 17 5.267 3.389 0.203 1.00 0.00 C +ATOM 254 O PRO A 17 4.733 3.160 -0.887 1.00 0.00 O +ATOM 255 CB PRO A 17 7.495 4.609 0.170 1.00 0.00 C +ATOM 256 CG PRO A 17 7.932 4.600 -1.293 1.00 0.00 C +ATOM 257 CD PRO A 17 8.291 3.135 -1.522 1.00 0.00 C +ATOM 258 HA PRO A 17 7.029 2.854 1.334 1.00 0.00 H +ATOM 259 HB2 PRO A 17 6.817 5.418 0.362 1.00 0.00 H +ATOM 260 HB3 PRO A 17 8.375 4.651 0.813 1.00 0.00 H +ATOM 261 HG2 PRO A 17 7.132 4.909 -1.938 1.00 0.00 H +ATOM 262 HG3 PRO A 17 8.783 5.259 -1.469 1.00 0.00 H +ATOM 263 HD2 PRO A 17 8.148 2.870 -2.552 1.00 0.00 H +ATOM 264 HD3 PRO A 17 9.319 2.954 -1.207 1.00 0.00 H +ATOM 265 N PRO A 18 4.555 3.783 1.280 1.00 0.00 N +ATOM 266 CA PRO A 18 3.107 3.955 1.251 1.00 0.00 C +ATOM 267 C PRO A 18 2.677 5.165 0.399 1.00 0.00 C +ATOM 268 O PRO A 18 3.440 6.118 0.240 1.00 0.00 O +ATOM 269 CB PRO A 18 2.682 4.114 2.714 1.00 0.00 C +ATOM 270 CG PRO A 18 3.920 4.702 3.385 1.00 0.00 C +ATOM 271 CD PRO A 18 5.071 4.058 2.612 1.00 0.00 C +ATOM 272 HA PRO A 18 2.660 3.050 0.846 1.00 0.00 H +ATOM 273 HB2 PRO A 18 1.846 4.781 2.800 1.00 0.00 H +ATOM 274 HB3 PRO A 18 2.472 3.133 3.140 1.00 0.00 H +ATOM 275 HG2 PRO A 18 3.940 5.770 3.288 1.00 0.00 H +ATOM 276 HG3 PRO A 18 3.960 4.460 4.446 1.00 0.00 H +ATOM 277 HD2 PRO A 18 5.906 4.730 2.557 1.00 0.00 H +ATOM 278 HD3 PRO A 18 5.353 3.118 3.092 1.00 0.00 H +ATOM 279 N PRO A 19 1.446 5.145 -0.145 1.00 0.00 N +ATOM 280 CA PRO A 19 0.886 6.247 -0.912 1.00 0.00 C +ATOM 281 C PRO A 19 0.347 7.353 0.009 1.00 0.00 C +ATOM 282 O PRO A 19 -0.657 7.156 0.691 1.00 0.00 O +ATOM 283 CB PRO A 19 -0.216 5.613 -1.764 1.00 0.00 C +ATOM 284 CG PRO A 19 -0.713 4.453 -0.902 1.00 0.00 C +ATOM 285 CD PRO A 19 0.539 4.007 -0.154 1.00 0.00 C +ATOM 286 HA PRO A 19 1.645 6.666 -1.575 1.00 0.00 H +ATOM 287 HB2 PRO A 19 -1.005 6.315 -1.954 1.00 0.00 H +ATOM 288 HB3 PRO A 19 0.222 5.216 -2.681 1.00 0.00 H +ATOM 289 HG2 PRO A 19 -1.473 4.780 -0.218 1.00 0.00 H +ATOM 290 HG3 PRO A 19 -1.118 3.650 -1.516 1.00 0.00 H +ATOM 291 HD2 PRO A 19 0.289 3.725 0.851 1.00 0.00 H +ATOM 292 HD3 PRO A 19 1.012 3.193 -0.700 1.00 0.00 H +ATOM 293 N SER A 20 0.994 8.526 -0.049 1.00 0.00 N +ATOM 294 CA SER A 20 0.653 9.774 0.659 1.00 0.00 C +ATOM 295 C SER A 20 0.918 9.764 2.177 1.00 0.00 C +ATOM 296 O SER A 20 0.442 10.754 2.789 1.00 0.00 O +ATOM 297 CB SER A 20 -0.786 10.208 0.336 1.00 0.00 C +ATOM 298 OG SER A 20 -0.959 11.455 0.965 1.00 0.00 O +ATOM 299 OXT SER A 20 1.603 8.846 2.675 1.00 0.00 O +ATOM 300 H SER A 20 1.867 8.518 -0.553 1.00 0.00 H +ATOM 301 HA SER A 20 1.307 10.553 0.271 1.00 0.00 H +ATOM 302 HB2 SER A 20 -0.919 10.302 -0.725 1.00 0.00 H +ATOM 303 HB3 SER A 20 -1.495 9.494 0.758 1.00 0.00 H +ATOM 304 HG SER A 20 -0.420 11.315 1.824 1.00 0.00 H +TER 305 SER A 20 +ENDMDL +MODEL 17 +ATOM 1 N ASN A 1 -8.598 5.262 -0.292 1.00 0.00 N +ATOM 2 CA ASN A 1 -8.658 3.999 -1.068 1.00 0.00 C +ATOM 3 C ASN A 1 -7.282 3.479 -1.479 1.00 0.00 C +ATOM 4 O ASN A 1 -7.038 2.293 -1.290 1.00 0.00 O +ATOM 5 CB ASN A 1 -9.633 4.090 -2.256 1.00 0.00 C +ATOM 6 CG ASN A 1 -11.034 3.705 -1.797 1.00 0.00 C +ATOM 7 OD1 ASN A 1 -11.203 2.706 -1.121 1.00 0.00 O +ATOM 8 ND2 ASN A 1 -12.056 4.485 -2.091 1.00 0.00 N +ATOM 9 H1 ASN A 1 -7.871 5.210 0.409 1.00 0.00 H +ATOM 10 H2 ASN A 1 -8.409 6.043 -0.906 1.00 0.00 H +ATOM 11 H3 ASN A 1 -9.483 5.425 0.171 1.00 0.00 H +ATOM 12 HA ASN A 1 -9.048 3.224 -0.405 1.00 0.00 H +ATOM 13 HB2 ASN A 1 -9.644 5.095 -2.633 1.00 0.00 H +ATOM 14 HB3 ASN A 1 -9.339 3.378 -3.028 1.00 0.00 H +ATOM 15 HD21 ASN A 1 -11.996 5.318 -2.653 1.00 0.00 H +ATOM 16 HD22 ASN A 1 -12.946 4.132 -1.770 1.00 0.00 H +ATOM 17 N LEU A 2 -6.367 4.322 -1.982 1.00 0.00 N +ATOM 18 CA LEU A 2 -5.025 3.900 -2.419 1.00 0.00 C +ATOM 19 C LEU A 2 -4.243 3.096 -1.364 1.00 0.00 C +ATOM 20 O LEU A 2 -3.570 2.120 -1.698 1.00 0.00 O +ATOM 21 CB LEU A 2 -4.224 5.145 -2.840 1.00 0.00 C +ATOM 22 CG LEU A 2 -4.672 5.767 -4.178 1.00 0.00 C +ATOM 23 CD1 LEU A 2 -3.897 7.063 -4.418 1.00 0.00 C +ATOM 24 CD2 LEU A 2 -4.426 4.814 -5.354 1.00 0.00 C +ATOM 25 H LEU A 2 -6.595 5.288 -2.162 1.00 0.00 H +ATOM 26 HA LEU A 2 -5.133 3.236 -3.278 1.00 0.00 H +ATOM 27 HB2 LEU A 2 -4.329 5.887 -2.073 1.00 0.00 H +ATOM 28 HB3 LEU A 2 -3.170 4.876 -2.925 1.00 0.00 H +ATOM 29 HG LEU A 2 -5.734 6.008 -4.131 1.00 0.00 H +ATOM 30 HD11 LEU A 2 -4.056 7.754 -3.588 1.00 0.00 H +ATOM 31 HD12 LEU A 2 -2.832 6.853 -4.509 1.00 0.00 H +ATOM 32 HD13 LEU A 2 -4.248 7.538 -5.334 1.00 0.00 H +ATOM 33 HD21 LEU A 2 -3.421 4.393 -5.292 1.00 0.00 H +ATOM 34 HD22 LEU A 2 -5.156 4.005 -5.345 1.00 0.00 H +ATOM 35 HD23 LEU A 2 -4.526 5.349 -6.297 1.00 0.00 H +ATOM 36 N TYR A 3 -4.383 3.462 -0.084 1.00 0.00 N +ATOM 37 CA TYR A 3 -3.757 2.758 1.034 1.00 0.00 C +ATOM 38 C TYR A 3 -4.175 1.279 1.120 1.00 0.00 C +ATOM 39 O TYR A 3 -3.350 0.425 1.441 1.00 0.00 O +ATOM 40 CB TYR A 3 -4.083 3.494 2.342 1.00 0.00 C +ATOM 41 CG TYR A 3 -3.021 3.296 3.403 1.00 0.00 C +ATOM 42 CD1 TYR A 3 -1.860 4.092 3.363 1.00 0.00 C +ATOM 43 CD2 TYR A 3 -3.175 2.317 4.405 1.00 0.00 C +ATOM 44 CE1 TYR A 3 -0.846 3.906 4.317 1.00 0.00 C +ATOM 45 CE2 TYR A 3 -2.162 2.132 5.366 1.00 0.00 C +ATOM 46 CZ TYR A 3 -0.992 2.923 5.318 1.00 0.00 C +ATOM 47 OH TYR A 3 0.011 2.729 6.217 1.00 0.00 O +ATOM 48 H TYR A 3 -4.910 4.298 0.109 1.00 0.00 H +ATOM 49 HA TYR A 3 -2.678 2.791 0.884 1.00 0.00 H +ATOM 50 HB2 TYR A 3 -4.169 4.543 2.134 1.00 0.00 H +ATOM 51 HB3 TYR A 3 -5.054 3.166 2.719 1.00 0.00 H +ATOM 52 HD1 TYR A 3 -1.741 4.850 2.600 1.00 0.00 H +ATOM 53 HD2 TYR A 3 -4.067 1.705 4.436 1.00 0.00 H +ATOM 54 HE1 TYR A 3 0.050 4.506 4.296 1.00 0.00 H +ATOM 55 HE2 TYR A 3 -2.281 1.396 6.145 1.00 0.00 H +ATOM 56 HH TYR A 3 -0.092 1.913 6.709 1.00 0.00 H +ATOM 57 N ILE A 4 -5.434 0.963 0.782 1.00 0.00 N +ATOM 58 CA ILE A 4 -5.959 -0.407 0.754 1.00 0.00 C +ATOM 59 C ILE A 4 -5.234 -1.224 -0.323 1.00 0.00 C +ATOM 60 O ILE A 4 -4.791 -2.341 -0.056 1.00 0.00 O +ATOM 61 CB ILE A 4 -7.489 -0.415 0.505 1.00 0.00 C +ATOM 62 CG1 ILE A 4 -8.287 0.574 1.386 1.00 0.00 C +ATOM 63 CG2 ILE A 4 -8.084 -1.834 0.645 1.00 0.00 C +ATOM 64 CD1 ILE A 4 -7.998 0.474 2.893 1.00 0.00 C +ATOM 65 H ILE A 4 -6.027 1.699 0.419 1.00 0.00 H +ATOM 66 HA ILE A 4 -5.758 -0.874 1.720 1.00 0.00 H +ATOM 67 HB ILE A 4 -7.652 -0.114 -0.531 1.00 0.00 H +ATOM 68 HG12 ILE A 4 -8.051 1.571 1.066 1.00 0.00 H +ATOM 69 HG13 ILE A 4 -9.351 0.403 1.219 1.00 0.00 H +ATOM 70 HG21 ILE A 4 -7.310 -2.600 0.624 1.00 0.00 H +ATOM 71 HG22 ILE A 4 -8.633 -1.940 1.582 1.00 0.00 H +ATOM 72 HG23 ILE A 4 -8.777 -2.015 -0.176 1.00 0.00 H +ATOM 73 HD11 ILE A 4 -7.679 -0.532 3.164 1.00 0.00 H +ATOM 74 HD12 ILE A 4 -7.214 1.179 3.165 1.00 0.00 H +ATOM 75 HD13 ILE A 4 -8.902 0.718 3.451 1.00 0.00 H +ATOM 76 N GLN A 5 -5.082 -0.658 -1.529 1.00 0.00 N +ATOM 77 CA GLN A 5 -4.322 -1.281 -2.612 1.00 0.00 C +ATOM 78 C GLN A 5 -2.862 -1.527 -2.213 1.00 0.00 C +ATOM 79 O GLN A 5 -2.351 -2.625 -2.425 1.00 0.00 O +ATOM 80 CB GLN A 5 -4.396 -0.435 -3.898 1.00 0.00 C +ATOM 81 CG GLN A 5 -5.293 -1.073 -4.971 1.00 0.00 C +ATOM 82 CD GLN A 5 -4.805 -0.728 -6.375 1.00 0.00 C +ATOM 83 OE1 GLN A 5 -4.736 0.424 -6.768 1.00 0.00 O +ATOM 84 NE2 GLN A 5 -4.436 -1.716 -7.169 1.00 0.00 N +ATOM 85 H GLN A 5 -5.436 0.282 -1.657 1.00 0.00 H +ATOM 86 HA GLN A 5 -4.757 -2.263 -2.799 1.00 0.00 H +ATOM 87 HB2 GLN A 5 -4.789 0.532 -3.651 1.00 0.00 H +ATOM 88 HB3 GLN A 5 -3.390 -0.336 -4.310 1.00 0.00 H +ATOM 89 HG2 GLN A 5 -5.281 -2.139 -4.848 1.00 0.00 H +ATOM 90 HG3 GLN A 5 -6.316 -0.718 -4.849 1.00 0.00 H +ATOM 91 HE21 GLN A 5 -4.461 -2.680 -6.883 1.00 0.00 H +ATOM 92 HE22 GLN A 5 -4.101 -1.424 -8.072 1.00 0.00 H +ATOM 93 N TRP A 6 -2.207 -0.530 -1.604 1.00 0.00 N +ATOM 94 CA TRP A 6 -0.837 -0.672 -1.104 1.00 0.00 C +ATOM 95 C TRP A 6 -0.705 -1.777 -0.043 1.00 0.00 C +ATOM 96 O TRP A 6 0.217 -2.593 -0.114 1.00 0.00 O +ATOM 97 CB TRP A 6 -0.347 0.675 -0.564 1.00 0.00 C +ATOM 98 CG TRP A 6 1.007 0.616 0.072 1.00 0.00 C +ATOM 99 CD1 TRP A 6 2.190 0.555 -0.580 1.00 0.00 C +ATOM 100 CD2 TRP A 6 1.332 0.576 1.493 1.00 0.00 C +ATOM 101 NE1 TRP A 6 3.222 0.465 0.337 1.00 0.00 N +ATOM 102 CE2 TRP A 6 2.749 0.489 1.629 1.00 0.00 C +ATOM 103 CE3 TRP A 6 0.572 0.607 2.680 1.00 0.00 C +ATOM 104 CZ2 TRP A 6 3.387 0.464 2.876 1.00 0.00 C +ATOM 105 CZ3 TRP A 6 1.201 0.554 3.937 1.00 0.00 C +ATOM 106 CH2 TRP A 6 2.602 0.496 4.040 1.00 0.00 C +ATOM 107 H TRP A 6 -2.687 0.361 -1.494 1.00 0.00 H +ATOM 108 HA TRP A 6 -0.192 -0.960 -1.936 1.00 0.00 H +ATOM 109 HB2 TRP A 6 -0.308 1.372 -1.379 1.00 0.00 H +ATOM 110 HB3 TRP A 6 -1.057 1.038 0.178 1.00 0.00 H +ATOM 111 HD1 TRP A 6 2.302 0.568 -1.656 1.00 0.00 H +ATOM 112 HE1 TRP A 6 4.213 0.428 0.099 1.00 0.00 H +ATOM 113 HE3 TRP A 6 -0.505 0.677 2.615 1.00 0.00 H +ATOM 114 HZ2 TRP A 6 4.464 0.415 2.929 1.00 0.00 H +ATOM 115 HZ3 TRP A 6 0.600 0.564 4.832 1.00 0.00 H +ATOM 116 HH2 TRP A 6 3.067 0.481 5.014 1.00 0.00 H +ATOM 117 N LEU A 7 -1.635 -1.843 0.921 1.00 0.00 N +ATOM 118 CA LEU A 7 -1.657 -2.918 1.915 1.00 0.00 C +ATOM 119 C LEU A 7 -1.850 -4.300 1.279 1.00 0.00 C +ATOM 120 O LEU A 7 -1.189 -5.245 1.705 1.00 0.00 O +ATOM 121 CB LEU A 7 -2.734 -2.654 2.978 1.00 0.00 C +ATOM 122 CG LEU A 7 -2.362 -1.573 4.010 1.00 0.00 C +ATOM 123 CD1 LEU A 7 -3.534 -1.401 4.981 1.00 0.00 C +ATOM 124 CD2 LEU A 7 -1.117 -1.940 4.827 1.00 0.00 C +ATOM 125 H LEU A 7 -2.351 -1.119 0.959 1.00 0.00 H +ATOM 126 HA LEU A 7 -0.679 -2.957 2.392 1.00 0.00 H +ATOM 127 HB2 LEU A 7 -3.631 -2.344 2.477 1.00 0.00 H +ATOM 128 HB3 LEU A 7 -2.923 -3.583 3.518 1.00 0.00 H +ATOM 129 HG LEU A 7 -2.187 -0.627 3.506 1.00 0.00 H +ATOM 130 HD11 LEU A 7 -4.451 -1.204 4.427 1.00 0.00 H +ATOM 131 HD12 LEU A 7 -3.657 -2.303 5.579 1.00 0.00 H +ATOM 132 HD13 LEU A 7 -3.341 -0.562 5.647 1.00 0.00 H +ATOM 133 HD21 LEU A 7 -1.237 -2.927 5.274 1.00 0.00 H +ATOM 134 HD22 LEU A 7 -0.232 -1.942 4.191 1.00 0.00 H +ATOM 135 HD23 LEU A 7 -0.962 -1.204 5.615 1.00 0.00 H +ATOM 136 N LYS A 8 -2.693 -4.415 0.243 1.00 0.00 N +ATOM 137 CA LYS A 8 -2.927 -5.668 -0.497 1.00 0.00 C +ATOM 138 C LYS A 8 -1.653 -6.277 -1.088 1.00 0.00 C +ATOM 139 O LYS A 8 -1.528 -7.496 -1.107 1.00 0.00 O +ATOM 140 CB LYS A 8 -3.973 -5.432 -1.602 1.00 0.00 C +ATOM 141 CG LYS A 8 -5.211 -6.326 -1.434 1.00 0.00 C +ATOM 142 CD LYS A 8 -6.475 -5.580 -1.872 1.00 0.00 C +ATOM 143 CE LYS A 8 -7.711 -6.420 -1.540 1.00 0.00 C +ATOM 144 NZ LYS A 8 -8.949 -5.755 -2.006 1.00 0.00 N +ATOM 145 H LYS A 8 -3.216 -3.585 -0.025 1.00 0.00 H +ATOM 146 HA LYS A 8 -3.295 -6.407 0.215 1.00 0.00 H +ATOM 147 HB2 LYS A 8 -4.282 -4.405 -1.571 1.00 0.00 H +ATOM 148 HB3 LYS A 8 -3.535 -5.617 -2.585 1.00 0.00 H +ATOM 149 HG2 LYS A 8 -5.095 -7.207 -2.035 1.00 0.00 H +ATOM 150 HG3 LYS A 8 -5.330 -6.615 -0.390 1.00 0.00 H +ATOM 151 HD2 LYS A 8 -6.532 -4.641 -1.355 1.00 0.00 H +ATOM 152 HD3 LYS A 8 -6.425 -5.375 -2.942 1.00 0.00 H +ATOM 153 HE2 LYS A 8 -7.625 -7.376 -2.020 1.00 0.00 H +ATOM 154 HE3 LYS A 8 -7.744 -6.556 -0.456 1.00 0.00 H +ATOM 155 HZ1 LYS A 8 -8.883 -4.758 -1.855 1.00 0.00 H +ATOM 156 HZ2 LYS A 8 -9.086 -5.926 -2.995 1.00 0.00 H +ATOM 157 HZ3 LYS A 8 -9.750 -6.109 -1.500 1.00 0.00 H +ATOM 158 N ASP A 9 -0.716 -5.437 -1.534 1.00 0.00 N +ATOM 159 CA ASP A 9 0.596 -5.859 -2.042 1.00 0.00 C +ATOM 160 C ASP A 9 1.481 -6.488 -0.941 1.00 0.00 C +ATOM 161 O ASP A 9 2.363 -7.284 -1.255 1.00 0.00 O +ATOM 162 CB ASP A 9 1.292 -4.644 -2.692 1.00 0.00 C +ATOM 163 CG ASP A 9 2.005 -4.972 -4.012 1.00 0.00 C +ATOM 164 OD1 ASP A 9 1.283 -5.311 -4.975 1.00 0.00 O +ATOM 165 OD2 ASP A 9 3.245 -4.797 -4.077 1.00 0.00 O +ATOM 166 H ASP A 9 -0.933 -4.447 -1.525 1.00 0.00 H +ATOM 167 HA ASP A 9 0.434 -6.621 -2.808 1.00 0.00 H +ATOM 168 HB2 ASP A 9 0.551 -3.893 -2.885 1.00 0.00 H +ATOM 169 HB3 ASP A 9 2.002 -4.208 -1.987 1.00 0.00 H +ATOM 170 N GLY A 10 1.219 -6.165 0.339 1.00 0.00 N +ATOM 171 CA GLY A 10 2.000 -6.593 1.510 1.00 0.00 C +ATOM 172 C GLY A 10 2.552 -5.441 2.368 1.00 0.00 C +ATOM 173 O GLY A 10 3.421 -5.669 3.222 1.00 0.00 O +ATOM 174 H GLY A 10 0.387 -5.611 0.509 1.00 0.00 H +ATOM 175 HA2 GLY A 10 1.359 -7.205 2.144 1.00 0.00 H +ATOM 176 HA3 GLY A 10 2.843 -7.202 1.190 1.00 0.00 H +ATOM 177 N GLY A 11 2.100 -4.200 2.127 1.00 0.00 N +ATOM 178 CA GLY A 11 2.565 -3.016 2.844 1.00 0.00 C +ATOM 179 C GLY A 11 4.085 -2.823 2.696 1.00 0.00 C +ATOM 180 O GLY A 11 4.601 -2.976 1.581 1.00 0.00 O +ATOM 181 H GLY A 11 1.469 -4.062 1.347 1.00 0.00 H +ATOM 182 HA2 GLY A 11 2.060 -2.134 2.448 1.00 0.00 H +ATOM 183 HA3 GLY A 11 2.283 -3.131 3.889 1.00 0.00 H +ATOM 184 N PRO A 12 4.824 -2.520 3.787 1.00 0.00 N +ATOM 185 CA PRO A 12 6.277 -2.307 3.754 1.00 0.00 C +ATOM 186 C PRO A 12 7.081 -3.495 3.201 1.00 0.00 C +ATOM 187 O PRO A 12 8.203 -3.312 2.737 1.00 0.00 O +ATOM 188 CB PRO A 12 6.699 -2.018 5.204 1.00 0.00 C +ATOM 189 CG PRO A 12 5.406 -1.656 5.929 1.00 0.00 C +ATOM 190 CD PRO A 12 4.342 -2.429 5.160 1.00 0.00 C +ATOM 191 HA PRO A 12 6.486 -1.429 3.142 1.00 0.00 H +ATOM 192 HB2 PRO A 12 7.148 -2.886 5.646 1.00 0.00 H +ATOM 193 HB3 PRO A 12 7.420 -1.199 5.254 1.00 0.00 H +ATOM 194 HG2 PRO A 12 5.441 -1.968 6.955 1.00 0.00 H +ATOM 195 HG3 PRO A 12 5.218 -0.586 5.838 1.00 0.00 H +ATOM 196 HD2 PRO A 12 4.219 -3.410 5.578 1.00 0.00 H +ATOM 197 HD3 PRO A 12 3.387 -1.911 5.231 1.00 0.00 H +ATOM 198 N SER A 13 6.509 -4.707 3.214 1.00 0.00 N +ATOM 199 CA SER A 13 7.159 -5.950 2.773 1.00 0.00 C +ATOM 200 C SER A 13 7.030 -6.225 1.263 1.00 0.00 C +ATOM 201 O SER A 13 7.213 -7.355 0.818 1.00 0.00 O +ATOM 202 CB SER A 13 6.698 -7.124 3.649 1.00 0.00 C +ATOM 203 OG SER A 13 5.331 -7.475 3.506 1.00 0.00 O +ATOM 204 H SER A 13 5.551 -4.762 3.529 1.00 0.00 H +ATOM 205 HA SER A 13 8.229 -5.841 2.949 1.00 0.00 H +ATOM 206 HB2 SER A 13 7.291 -7.982 3.396 1.00 0.00 H +ATOM 207 HB3 SER A 13 6.899 -6.873 4.691 1.00 0.00 H +ATOM 208 HG SER A 13 4.725 -6.704 3.495 1.00 0.00 H +ATOM 209 N SER A 14 6.763 -5.177 0.472 1.00 0.00 N +ATOM 210 CA SER A 14 6.427 -5.256 -0.961 1.00 0.00 C +ATOM 211 C SER A 14 7.393 -4.454 -1.849 1.00 0.00 C +ATOM 212 O SER A 14 7.103 -4.203 -3.018 1.00 0.00 O +ATOM 213 CB SER A 14 4.966 -4.835 -1.209 1.00 0.00 C +ATOM 214 OG SER A 14 4.155 -4.935 -0.060 1.00 0.00 O +ATOM 215 H SER A 14 6.628 -4.294 0.943 1.00 0.00 H +ATOM 216 HA SER A 14 6.505 -6.297 -1.276 1.00 0.00 H +ATOM 217 HB2 SER A 14 4.957 -3.816 -1.545 1.00 0.00 H +ATOM 218 HB3 SER A 14 4.553 -5.447 -2.010 1.00 0.00 H +ATOM 219 HG SER A 14 4.335 -4.165 0.528 1.00 0.00 H +ATOM 220 N GLY A 15 8.524 -3.999 -1.288 1.00 0.00 N +ATOM 221 CA GLY A 15 9.526 -3.183 -1.983 1.00 0.00 C +ATOM 222 C GLY A 15 9.030 -1.786 -2.384 1.00 0.00 C +ATOM 223 O GLY A 15 9.571 -1.198 -3.319 1.00 0.00 O +ATOM 224 H GLY A 15 8.702 -4.280 -0.334 1.00 0.00 H +ATOM 225 HA2 GLY A 15 10.392 -3.054 -1.335 1.00 0.00 H +ATOM 226 HA3 GLY A 15 9.855 -3.702 -2.884 1.00 0.00 H +ATOM 227 N ARG A 16 7.999 -1.262 -1.701 1.00 0.00 N +ATOM 228 CA ARG A 16 7.349 0.019 -2.007 1.00 0.00 C +ATOM 229 C ARG A 16 6.893 0.760 -0.731 1.00 0.00 C +ATOM 230 O ARG A 16 6.219 0.163 0.112 1.00 0.00 O +ATOM 231 CB ARG A 16 6.178 -0.191 -2.987 1.00 0.00 C +ATOM 232 CG ARG A 16 5.135 -1.203 -2.490 1.00 0.00 C +ATOM 233 CD ARG A 16 3.984 -1.428 -3.468 1.00 0.00 C +ATOM 234 NE ARG A 16 4.422 -2.198 -4.644 1.00 0.00 N +ATOM 235 CZ ARG A 16 3.985 -2.079 -5.889 1.00 0.00 C +ATOM 236 NH1 ARG A 16 3.095 -1.174 -6.226 1.00 0.00 N +ATOM 237 NH2 ARG A 16 4.443 -2.867 -6.829 1.00 0.00 N +ATOM 238 H ARG A 16 7.637 -1.808 -0.931 1.00 0.00 H +ATOM 239 HA ARG A 16 8.087 0.627 -2.526 1.00 0.00 H +ATOM 240 HB2 ARG A 16 5.690 0.752 -3.140 1.00 0.00 H +ATOM 241 HB3 ARG A 16 6.587 -0.548 -3.935 1.00 0.00 H +ATOM 242 HG2 ARG A 16 5.627 -2.142 -2.323 1.00 0.00 H +ATOM 243 HG3 ARG A 16 4.707 -0.869 -1.550 1.00 0.00 H +ATOM 244 HD2 ARG A 16 3.202 -1.967 -2.969 1.00 0.00 H +ATOM 245 HD3 ARG A 16 3.580 -0.460 -3.754 1.00 0.00 H +ATOM 246 HE ARG A 16 4.950 -3.039 -4.447 1.00 0.00 H +ATOM 247 HH11 ARG A 16 2.699 -0.623 -5.487 1.00 0.00 H +ATOM 248 HH12 ARG A 16 2.736 -1.119 -7.160 1.00 0.00 H +ATOM 249 HH21 ARG A 16 5.052 -3.623 -6.563 1.00 0.00 H +ATOM 250 HH22 ARG A 16 4.097 -2.799 -7.766 1.00 0.00 H +ATOM 251 N PRO A 17 7.222 2.058 -0.583 1.00 0.00 N +ATOM 252 CA PRO A 17 6.818 2.862 0.570 1.00 0.00 C +ATOM 253 C PRO A 17 5.308 3.175 0.566 1.00 0.00 C +ATOM 254 O PRO A 17 4.649 2.986 -0.461 1.00 0.00 O +ATOM 255 CB PRO A 17 7.668 4.136 0.467 1.00 0.00 C +ATOM 256 CG PRO A 17 7.903 4.302 -1.030 1.00 0.00 C +ATOM 257 CD PRO A 17 7.972 2.866 -1.536 1.00 0.00 C +ATOM 258 HA PRO A 17 7.067 2.330 1.490 1.00 0.00 H +ATOM 259 HB2 PRO A 17 7.140 4.980 0.866 1.00 0.00 H +ATOM 260 HB3 PRO A 17 8.622 3.973 0.971 1.00 0.00 H +ATOM 261 HG2 PRO A 17 7.092 4.833 -1.490 1.00 0.00 H +ATOM 262 HG3 PRO A 17 8.828 4.841 -1.235 1.00 0.00 H +ATOM 263 HD2 PRO A 17 7.531 2.795 -2.511 1.00 0.00 H +ATOM 264 HD3 PRO A 17 9.009 2.530 -1.559 1.00 0.00 H +ATOM 265 N PRO A 18 4.746 3.667 1.690 1.00 0.00 N +ATOM 266 CA PRO A 18 3.331 4.024 1.786 1.00 0.00 C +ATOM 267 C PRO A 18 2.969 5.219 0.879 1.00 0.00 C +ATOM 268 O PRO A 18 3.752 6.167 0.773 1.00 0.00 O +ATOM 269 CB PRO A 18 3.081 4.342 3.265 1.00 0.00 C +ATOM 270 CG PRO A 18 4.457 4.738 3.793 1.00 0.00 C +ATOM 271 CD PRO A 18 5.409 3.874 2.971 1.00 0.00 C +ATOM 272 HA PRO A 18 2.737 3.158 1.511 1.00 0.00 H +ATOM 273 HB2 PRO A 18 2.385 5.152 3.369 1.00 0.00 H +ATOM 274 HB3 PRO A 18 2.740 3.441 3.778 1.00 0.00 H +ATOM 275 HG2 PRO A 18 4.646 5.781 3.629 1.00 0.00 H +ATOM 276 HG3 PRO A 18 4.557 4.542 4.860 1.00 0.00 H +ATOM 277 HD2 PRO A 18 6.346 4.379 2.831 1.00 0.00 H +ATOM 278 HD3 PRO A 18 5.554 2.911 3.463 1.00 0.00 H +ATOM 279 N PRO A 19 1.774 5.216 0.253 1.00 0.00 N +ATOM 280 CA PRO A 19 1.314 6.299 -0.608 1.00 0.00 C +ATOM 281 C PRO A 19 0.874 7.500 0.242 1.00 0.00 C +ATOM 282 O PRO A 19 -0.165 7.445 0.901 1.00 0.00 O +ATOM 283 CB PRO A 19 0.174 5.693 -1.433 1.00 0.00 C +ATOM 284 CG PRO A 19 -0.436 4.648 -0.498 1.00 0.00 C +ATOM 285 CD PRO A 19 0.761 4.170 0.330 1.00 0.00 C +ATOM 286 HA PRO A 19 2.114 6.607 -1.283 1.00 0.00 H +ATOM 287 HB2 PRO A 19 -0.549 6.442 -1.694 1.00 0.00 H +ATOM 288 HB3 PRO A 19 0.591 5.191 -2.307 1.00 0.00 H +ATOM 289 HG2 PRO A 19 -1.187 5.087 0.130 1.00 0.00 H +ATOM 290 HG3 PRO A 19 -0.891 3.829 -1.053 1.00 0.00 H +ATOM 291 HD2 PRO A 19 0.466 4.016 1.350 1.00 0.00 H +ATOM 292 HD3 PRO A 19 1.161 3.257 -0.105 1.00 0.00 H +ATOM 293 N SER A 20 1.692 8.561 0.244 1.00 0.00 N +ATOM 294 CA SER A 20 1.395 9.850 0.892 1.00 0.00 C +ATOM 295 C SER A 20 0.641 10.781 -0.057 1.00 0.00 C +ATOM 296 O SER A 20 1.191 11.035 -1.153 1.00 0.00 O +ATOM 297 CB SER A 20 2.675 10.542 1.362 1.00 0.00 C +ATOM 298 OG SER A 20 3.385 9.705 2.254 1.00 0.00 O +ATOM 299 OXT SER A 20 -0.453 11.237 0.341 1.00 0.00 O +ATOM 300 H SER A 20 2.495 8.530 -0.365 1.00 0.00 H +ATOM 301 HA SER A 20 0.748 9.687 1.754 1.00 0.00 H +ATOM 302 HB2 SER A 20 3.293 10.759 0.512 1.00 0.00 H +ATOM 303 HB3 SER A 20 2.412 11.474 1.867 1.00 0.00 H +ATOM 304 HG SER A 20 3.522 8.859 1.817 1.00 0.00 H +TER 305 SER A 20 +ENDMDL +MODEL 18 +ATOM 1 N ASN A 1 -4.790 8.442 0.249 1.00 0.00 N +ATOM 2 CA ASN A 1 -5.686 7.485 -0.453 1.00 0.00 C +ATOM 3 C ASN A 1 -4.849 6.300 -0.965 1.00 0.00 C +ATOM 4 O ASN A 1 -3.693 6.208 -0.570 1.00 0.00 O +ATOM 5 CB ASN A 1 -6.519 8.196 -1.544 1.00 0.00 C +ATOM 6 CG ASN A 1 -7.833 7.461 -1.812 1.00 0.00 C +ATOM 7 OD1 ASN A 1 -7.853 6.422 -2.450 1.00 0.00 O +ATOM 8 ND2 ASN A 1 -8.951 7.930 -1.294 1.00 0.00 N +ATOM 9 H1 ASN A 1 -4.244 7.939 0.938 1.00 0.00 H +ATOM 10 H2 ASN A 1 -4.142 8.858 -0.406 1.00 0.00 H +ATOM 11 H3 ASN A 1 -5.325 9.168 0.704 1.00 0.00 H +ATOM 12 HA ASN A 1 -6.383 7.080 0.282 1.00 0.00 H +ATOM 13 HB2 ASN A 1 -6.738 9.195 -1.220 1.00 0.00 H +ATOM 14 HB3 ASN A 1 -5.944 8.259 -2.469 1.00 0.00 H +ATOM 15 HD21 ASN A 1 -9.019 8.786 -0.768 1.00 0.00 H +ATOM 16 HD22 ASN A 1 -9.770 7.389 -1.524 1.00 0.00 H +ATOM 17 N LEU A 2 -5.405 5.376 -1.765 1.00 0.00 N +ATOM 18 CA LEU A 2 -4.751 4.202 -2.378 1.00 0.00 C +ATOM 19 C LEU A 2 -4.144 3.169 -1.390 1.00 0.00 C +ATOM 20 O LEU A 2 -3.662 2.112 -1.794 1.00 0.00 O +ATOM 21 CB LEU A 2 -3.724 4.701 -3.418 1.00 0.00 C +ATOM 22 CG LEU A 2 -3.530 3.738 -4.610 1.00 0.00 C +ATOM 23 CD1 LEU A 2 -4.310 4.230 -5.834 1.00 0.00 C +ATOM 24 CD2 LEU A 2 -2.051 3.617 -4.978 1.00 0.00 C +ATOM 25 H LEU A 2 -6.367 5.541 -2.065 1.00 0.00 H +ATOM 26 HA LEU A 2 -5.530 3.669 -2.924 1.00 0.00 H +ATOM 27 HB2 LEU A 2 -4.059 5.647 -3.798 1.00 0.00 H +ATOM 28 HB3 LEU A 2 -2.776 4.864 -2.910 1.00 0.00 H +ATOM 29 HG LEU A 2 -3.896 2.747 -4.351 1.00 0.00 H +ATOM 30 HD11 LEU A 2 -5.363 4.348 -5.581 1.00 0.00 H +ATOM 31 HD12 LEU A 2 -3.911 5.184 -6.179 1.00 0.00 H +ATOM 32 HD13 LEU A 2 -4.230 3.497 -6.639 1.00 0.00 H +ATOM 33 HD21 LEU A 2 -1.642 4.598 -5.223 1.00 0.00 H +ATOM 34 HD22 LEU A 2 -1.504 3.192 -4.138 1.00 0.00 H +ATOM 35 HD23 LEU A 2 -1.942 2.955 -5.838 1.00 0.00 H +ATOM 36 N TYR A 3 -4.199 3.443 -0.085 1.00 0.00 N +ATOM 37 CA TYR A 3 -3.520 2.704 0.978 1.00 0.00 C +ATOM 38 C TYR A 3 -3.955 1.233 1.067 1.00 0.00 C +ATOM 39 O TYR A 3 -3.129 0.359 1.321 1.00 0.00 O +ATOM 40 CB TYR A 3 -3.753 3.449 2.303 1.00 0.00 C +ATOM 41 CG TYR A 3 -2.583 3.372 3.262 1.00 0.00 C +ATOM 42 CD1 TYR A 3 -2.356 2.199 4.004 1.00 0.00 C +ATOM 43 CD2 TYR A 3 -1.718 4.476 3.408 1.00 0.00 C +ATOM 44 CE1 TYR A 3 -1.265 2.121 4.888 1.00 0.00 C +ATOM 45 CE2 TYR A 3 -0.634 4.408 4.303 1.00 0.00 C +ATOM 46 CZ TYR A 3 -0.399 3.225 5.036 1.00 0.00 C +ATOM 47 OH TYR A 3 0.654 3.151 5.892 1.00 0.00 O +ATOM 48 H TYR A 3 -4.531 4.367 0.144 1.00 0.00 H +ATOM 49 HA TYR A 3 -2.450 2.720 0.763 1.00 0.00 H +ATOM 50 HB2 TYR A 3 -3.942 4.482 2.082 1.00 0.00 H +ATOM 51 HB3 TYR A 3 -4.647 3.061 2.792 1.00 0.00 H +ATOM 52 HD1 TYR A 3 -3.021 1.359 3.886 1.00 0.00 H +ATOM 53 HD2 TYR A 3 -1.875 5.381 2.835 1.00 0.00 H +ATOM 54 HE1 TYR A 3 -1.080 1.223 5.456 1.00 0.00 H +ATOM 55 HE2 TYR A 3 0.025 5.255 4.425 1.00 0.00 H +ATOM 56 HH TYR A 3 0.402 3.418 6.779 1.00 0.00 H +ATOM 57 N ILE A 4 -5.239 0.944 0.809 1.00 0.00 N +ATOM 58 CA ILE A 4 -5.793 -0.418 0.803 1.00 0.00 C +ATOM 59 C ILE A 4 -5.137 -1.278 -0.294 1.00 0.00 C +ATOM 60 O ILE A 4 -4.777 -2.429 -0.051 1.00 0.00 O +ATOM 61 CB ILE A 4 -7.337 -0.377 0.654 1.00 0.00 C +ATOM 62 CG1 ILE A 4 -8.002 0.564 1.695 1.00 0.00 C +ATOM 63 CG2 ILE A 4 -7.933 -1.789 0.786 1.00 0.00 C +ATOM 64 CD1 ILE A 4 -8.600 1.821 1.047 1.00 0.00 C +ATOM 65 H ILE A 4 -5.855 1.722 0.628 1.00 0.00 H +ATOM 66 HA ILE A 4 -5.561 -0.884 1.762 1.00 0.00 H +ATOM 67 HB ILE A 4 -7.578 -0.019 -0.348 1.00 0.00 H +ATOM 68 HG12 ILE A 4 -8.786 0.027 2.194 1.00 0.00 H +ATOM 69 HG13 ILE A 4 -7.278 0.868 2.451 1.00 0.00 H +ATOM 70 HG21 ILE A 4 -7.587 -2.427 -0.028 1.00 0.00 H +ATOM 71 HG22 ILE A 4 -7.641 -2.235 1.738 1.00 0.00 H +ATOM 72 HG23 ILE A 4 -9.023 -1.740 0.735 1.00 0.00 H +ATOM 73 HD11 ILE A 4 -7.889 2.268 0.350 1.00 0.00 H +ATOM 74 HD12 ILE A 4 -9.514 1.556 0.511 1.00 0.00 H +ATOM 75 HD13 ILE A 4 -8.845 2.548 1.821 1.00 0.00 H +ATOM 76 N GLN A 5 -4.930 -0.702 -1.487 1.00 0.00 N +ATOM 77 CA GLN A 5 -4.240 -1.358 -2.602 1.00 0.00 C +ATOM 78 C GLN A 5 -2.757 -1.594 -2.286 1.00 0.00 C +ATOM 79 O GLN A 5 -2.238 -2.664 -2.596 1.00 0.00 O +ATOM 80 CB GLN A 5 -4.402 -0.514 -3.877 1.00 0.00 C +ATOM 81 CG GLN A 5 -5.825 -0.583 -4.457 1.00 0.00 C +ATOM 82 CD GLN A 5 -6.299 0.780 -4.949 1.00 0.00 C +ATOM 83 OE1 GLN A 5 -5.987 1.219 -6.043 1.00 0.00 O +ATOM 84 NE2 GLN A 5 -7.068 1.504 -4.156 1.00 0.00 N +ATOM 85 H GLN A 5 -5.142 0.280 -1.577 1.00 0.00 H +ATOM 86 HA GLN A 5 -4.690 -2.336 -2.774 1.00 0.00 H +ATOM 87 HB2 GLN A 5 -4.176 0.508 -3.643 1.00 0.00 H +ATOM 88 HB3 GLN A 5 -3.702 -0.864 -4.637 1.00 0.00 H +ATOM 89 HG2 GLN A 5 -5.832 -1.272 -5.280 1.00 0.00 H +ATOM 90 HG3 GLN A 5 -6.527 -0.953 -3.709 1.00 0.00 H +ATOM 91 HE21 GLN A 5 -7.405 1.166 -3.274 1.00 0.00 H +ATOM 92 HE22 GLN A 5 -7.384 2.362 -4.578 1.00 0.00 H +ATOM 93 N TRP A 6 -2.087 -0.635 -1.631 1.00 0.00 N +ATOM 94 CA TRP A 6 -0.718 -0.822 -1.137 1.00 0.00 C +ATOM 95 C TRP A 6 -0.625 -1.935 -0.078 1.00 0.00 C +ATOM 96 O TRP A 6 0.234 -2.811 -0.181 1.00 0.00 O +ATOM 97 CB TRP A 6 -0.169 0.510 -0.615 1.00 0.00 C +ATOM 98 CG TRP A 6 1.231 0.448 -0.086 1.00 0.00 C +ATOM 99 CD1 TRP A 6 2.357 0.390 -0.836 1.00 0.00 C +ATOM 100 CD2 TRP A 6 1.678 0.412 1.305 1.00 0.00 C +ATOM 101 NE1 TRP A 6 3.461 0.324 -0.009 1.00 0.00 N +ATOM 102 CE2 TRP A 6 3.102 0.345 1.317 1.00 0.00 C +ATOM 103 CE3 TRP A 6 1.032 0.434 2.562 1.00 0.00 C +ATOM 104 CZ2 TRP A 6 3.852 0.322 2.500 1.00 0.00 C +ATOM 105 CZ3 TRP A 6 1.773 0.390 3.759 1.00 0.00 C +ATOM 106 CH2 TRP A 6 3.179 0.343 3.732 1.00 0.00 C +ATOM 107 H TRP A 6 -2.569 0.238 -1.442 1.00 0.00 H +ATOM 108 HA TRP A 6 -0.091 -1.137 -1.973 1.00 0.00 H +ATOM 109 HB2 TRP A 6 -0.191 1.219 -1.420 1.00 0.00 H +ATOM 110 HB3 TRP A 6 -0.817 0.881 0.178 1.00 0.00 H +ATOM 111 HD1 TRP A 6 2.382 0.389 -1.919 1.00 0.00 H +ATOM 112 HE1 TRP A 6 4.439 0.289 -0.304 1.00 0.00 H +ATOM 113 HE3 TRP A 6 -0.045 0.494 2.594 1.00 0.00 H +ATOM 114 HZ2 TRP A 6 4.931 0.270 2.447 1.00 0.00 H +ATOM 115 HZ3 TRP A 6 1.262 0.416 4.711 1.00 0.00 H +ATOM 116 HH2 TRP A 6 3.741 0.324 4.655 1.00 0.00 H +ATOM 117 N LEU A 7 -1.535 -1.954 0.908 1.00 0.00 N +ATOM 118 CA LEU A 7 -1.599 -3.028 1.905 1.00 0.00 C +ATOM 119 C LEU A 7 -1.859 -4.404 1.277 1.00 0.00 C +ATOM 120 O LEU A 7 -1.246 -5.374 1.719 1.00 0.00 O +ATOM 121 CB LEU A 7 -2.653 -2.718 2.982 1.00 0.00 C +ATOM 122 CG LEU A 7 -2.238 -1.612 3.971 1.00 0.00 C +ATOM 123 CD1 LEU A 7 -3.451 -1.213 4.816 1.00 0.00 C +ATOM 124 CD2 LEU A 7 -1.124 -2.058 4.928 1.00 0.00 C +ATOM 125 H LEU A 7 -2.199 -1.184 0.968 1.00 0.00 H +ATOM 126 HA LEU A 7 -0.619 -3.101 2.378 1.00 0.00 H +ATOM 127 HB2 LEU A 7 -3.556 -2.409 2.491 1.00 0.00 H +ATOM 128 HB3 LEU A 7 -2.850 -3.627 3.553 1.00 0.00 H +ATOM 129 HG LEU A 7 -1.894 -0.741 3.419 1.00 0.00 H +ATOM 130 HD11 LEU A 7 -4.238 -0.826 4.169 1.00 0.00 H +ATOM 131 HD12 LEU A 7 -3.830 -2.080 5.360 1.00 0.00 H +ATOM 132 HD13 LEU A 7 -3.169 -0.442 5.533 1.00 0.00 H +ATOM 133 HD21 LEU A 7 -1.484 -2.855 5.579 1.00 0.00 H +ATOM 134 HD22 LEU A 7 -0.258 -2.415 4.373 1.00 0.00 H +ATOM 135 HD23 LEU A 7 -0.808 -1.215 5.538 1.00 0.00 H +ATOM 136 N LYS A 8 -2.699 -4.500 0.231 1.00 0.00 N +ATOM 137 CA LYS A 8 -2.961 -5.760 -0.490 1.00 0.00 C +ATOM 138 C LYS A 8 -1.682 -6.440 -0.992 1.00 0.00 C +ATOM 139 O LYS A 8 -1.618 -7.666 -1.015 1.00 0.00 O +ATOM 140 CB LYS A 8 -3.959 -5.521 -1.641 1.00 0.00 C +ATOM 141 CG LYS A 8 -4.419 -6.827 -2.322 1.00 0.00 C +ATOM 142 CD LYS A 8 -3.630 -7.226 -3.585 1.00 0.00 C +ATOM 143 CE LYS A 8 -4.103 -6.440 -4.814 1.00 0.00 C +ATOM 144 NZ LYS A 8 -3.568 -7.025 -6.066 1.00 0.00 N +ATOM 145 H LYS A 8 -3.215 -3.664 -0.036 1.00 0.00 H +ATOM 146 HA LYS A 8 -3.413 -6.457 0.217 1.00 0.00 H +ATOM 147 HB2 LYS A 8 -4.821 -5.019 -1.247 1.00 0.00 H +ATOM 148 HB3 LYS A 8 -3.524 -4.853 -2.384 1.00 0.00 H +ATOM 149 HG2 LYS A 8 -4.327 -7.623 -1.608 1.00 0.00 H +ATOM 150 HG3 LYS A 8 -5.470 -6.727 -2.593 1.00 0.00 H +ATOM 151 HD2 LYS A 8 -2.588 -7.026 -3.423 1.00 0.00 H +ATOM 152 HD3 LYS A 8 -3.798 -8.290 -3.759 1.00 0.00 H +ATOM 153 HE2 LYS A 8 -5.175 -6.459 -4.850 1.00 0.00 H +ATOM 154 HE3 LYS A 8 -3.782 -5.399 -4.713 1.00 0.00 H +ATOM 155 HZ1 LYS A 8 -2.555 -6.986 -6.067 1.00 0.00 H +ATOM 156 HZ2 LYS A 8 -3.851 -7.992 -6.145 1.00 0.00 H +ATOM 157 HZ3 LYS A 8 -3.914 -6.519 -6.870 1.00 0.00 H +ATOM 158 N ASP A 9 -0.674 -5.659 -1.382 1.00 0.00 N +ATOM 159 CA ASP A 9 0.615 -6.165 -1.853 1.00 0.00 C +ATOM 160 C ASP A 9 1.571 -6.567 -0.705 1.00 0.00 C +ATOM 161 O ASP A 9 2.686 -7.014 -0.969 1.00 0.00 O +ATOM 162 CB ASP A 9 1.231 -5.098 -2.777 1.00 0.00 C +ATOM 163 CG ASP A 9 2.189 -5.711 -3.799 1.00 0.00 C +ATOM 164 OD1 ASP A 9 1.663 -6.222 -4.813 1.00 0.00 O +ATOM 165 OD2 ASP A 9 3.416 -5.646 -3.568 1.00 0.00 O +ATOM 166 H ASP A 9 -0.796 -4.654 -1.332 1.00 0.00 H +ATOM 167 HA ASP A 9 0.438 -7.059 -2.454 1.00 0.00 H +ATOM 168 HB2 ASP A 9 0.441 -4.595 -3.301 1.00 0.00 H +ATOM 169 HB3 ASP A 9 1.736 -4.335 -2.183 1.00 0.00 H +ATOM 170 N GLY A 10 1.188 -6.375 0.570 1.00 0.00 N +ATOM 171 CA GLY A 10 2.022 -6.675 1.745 1.00 0.00 C +ATOM 172 C GLY A 10 2.601 -5.455 2.475 1.00 0.00 C +ATOM 173 O GLY A 10 3.441 -5.624 3.363 1.00 0.00 O +ATOM 174 H GLY A 10 0.253 -6.015 0.741 1.00 0.00 H +ATOM 175 HA2 GLY A 10 1.412 -7.227 2.460 1.00 0.00 H +ATOM 176 HA3 GLY A 10 2.853 -7.319 1.458 1.00 0.00 H +ATOM 177 N GLY A 11 2.171 -4.233 2.128 1.00 0.00 N +ATOM 178 CA GLY A 11 2.595 -2.981 2.757 1.00 0.00 C +ATOM 179 C GLY A 11 4.126 -2.821 2.820 1.00 0.00 C +ATOM 180 O GLY A 11 4.764 -2.728 1.772 1.00 0.00 O +ATOM 181 H GLY A 11 1.579 -4.166 1.309 1.00 0.00 H +ATOM 182 HA2 GLY A 11 2.194 -2.157 2.171 1.00 0.00 H +ATOM 183 HA3 GLY A 11 2.155 -2.927 3.750 1.00 0.00 H +ATOM 184 N PRO A 12 4.762 -2.798 4.014 1.00 0.00 N +ATOM 185 CA PRO A 12 6.222 -2.711 4.128 1.00 0.00 C +ATOM 186 C PRO A 12 6.985 -3.820 3.384 1.00 0.00 C +ATOM 187 O PRO A 12 8.141 -3.624 3.019 1.00 0.00 O +ATOM 188 CB PRO A 12 6.536 -2.771 5.628 1.00 0.00 C +ATOM 189 CG PRO A 12 5.232 -2.347 6.300 1.00 0.00 C +ATOM 190 CD PRO A 12 4.159 -2.854 5.339 1.00 0.00 C +ATOM 191 HA PRO A 12 6.541 -1.745 3.735 1.00 0.00 H +ATOM 192 HB2 PRO A 12 6.809 -3.767 5.920 1.00 0.00 H +ATOM 193 HB3 PRO A 12 7.357 -2.104 5.890 1.00 0.00 H +ATOM 194 HG2 PRO A 12 5.131 -2.805 7.265 1.00 0.00 H +ATOM 195 HG3 PRO A 12 5.189 -1.259 6.357 1.00 0.00 H +ATOM 196 HD2 PRO A 12 3.884 -3.862 5.583 1.00 0.00 H +ATOM 197 HD3 PRO A 12 3.274 -2.223 5.414 1.00 0.00 H +ATOM 198 N SER A 13 6.349 -4.977 3.147 1.00 0.00 N +ATOM 199 CA SER A 13 6.954 -6.124 2.463 1.00 0.00 C +ATOM 200 C SER A 13 6.833 -6.062 0.928 1.00 0.00 C +ATOM 201 O SER A 13 7.261 -6.986 0.242 1.00 0.00 O +ATOM 202 CB SER A 13 6.368 -7.420 3.048 1.00 0.00 C +ATOM 203 OG SER A 13 7.404 -8.335 3.350 1.00 0.00 O +ATOM 204 H SER A 13 5.372 -5.058 3.425 1.00 0.00 H +ATOM 205 HA SER A 13 8.023 -6.116 2.682 1.00 0.00 H +ATOM 206 HB2 SER A 13 5.826 -7.190 3.945 1.00 0.00 H +ATOM 207 HB3 SER A 13 5.665 -7.873 2.347 1.00 0.00 H +ATOM 208 HG SER A 13 7.993 -7.938 3.997 1.00 0.00 H +ATOM 209 N SER A 14 6.285 -4.971 0.375 1.00 0.00 N +ATOM 210 CA SER A 14 5.996 -4.784 -1.057 1.00 0.00 C +ATOM 211 C SER A 14 7.108 -4.082 -1.850 1.00 0.00 C +ATOM 212 O SER A 14 6.920 -3.757 -3.019 1.00 0.00 O +ATOM 213 CB SER A 14 4.711 -3.968 -1.193 1.00 0.00 C +ATOM 214 OG SER A 14 3.682 -4.612 -0.483 1.00 0.00 O +ATOM 215 H SER A 14 5.894 -4.268 0.998 1.00 0.00 H +ATOM 216 HA SER A 14 5.825 -5.757 -1.521 1.00 0.00 H +ATOM 217 HB2 SER A 14 4.865 -2.985 -0.791 1.00 0.00 H +ATOM 218 HB3 SER A 14 4.431 -3.871 -2.241 1.00 0.00 H +ATOM 219 HG SER A 14 3.520 -5.494 -0.884 1.00 0.00 H +ATOM 220 N GLY A 15 8.256 -3.783 -1.226 1.00 0.00 N +ATOM 221 CA GLY A 15 9.384 -3.115 -1.892 1.00 0.00 C +ATOM 222 C GLY A 15 9.136 -1.644 -2.261 1.00 0.00 C +ATOM 223 O GLY A 15 9.906 -1.080 -3.037 1.00 0.00 O +ATOM 224 H GLY A 15 8.354 -4.097 -0.270 1.00 0.00 H +ATOM 225 HA2 GLY A 15 10.260 -3.161 -1.246 1.00 0.00 H +ATOM 226 HA3 GLY A 15 9.616 -3.654 -2.812 1.00 0.00 H +ATOM 227 N ARG A 16 8.071 -1.022 -1.733 1.00 0.00 N +ATOM 228 CA ARG A 16 7.620 0.333 -2.073 1.00 0.00 C +ATOM 229 C ARG A 16 7.039 1.042 -0.836 1.00 0.00 C +ATOM 230 O ARG A 16 6.265 0.407 -0.118 1.00 0.00 O +ATOM 231 CB ARG A 16 6.558 0.205 -3.182 1.00 0.00 C +ATOM 232 CG ARG A 16 6.146 1.562 -3.766 1.00 0.00 C +ATOM 233 CD ARG A 16 5.085 1.404 -4.861 1.00 0.00 C +ATOM 234 NE ARG A 16 5.279 2.408 -5.922 1.00 0.00 N +ATOM 235 CZ ARG A 16 4.427 2.749 -6.879 1.00 0.00 C +ATOM 236 NH1 ARG A 16 3.214 2.253 -6.941 1.00 0.00 N +ATOM 237 NH2 ARG A 16 4.794 3.604 -7.805 1.00 0.00 N +ATOM 238 H ARG A 16 7.498 -1.558 -1.093 1.00 0.00 H +ATOM 239 HA ARG A 16 8.474 0.889 -2.457 1.00 0.00 H +ATOM 240 HB2 ARG A 16 6.958 -0.402 -3.972 1.00 0.00 H +ATOM 241 HB3 ARG A 16 5.678 -0.308 -2.787 1.00 0.00 H +ATOM 242 HG2 ARG A 16 5.747 2.173 -2.980 1.00 0.00 H +ATOM 243 HG3 ARG A 16 7.035 2.033 -4.183 1.00 0.00 H +ATOM 244 HD2 ARG A 16 5.162 0.422 -5.287 1.00 0.00 H +ATOM 245 HD3 ARG A 16 4.099 1.511 -4.406 1.00 0.00 H +ATOM 246 HE ARG A 16 6.183 2.845 -5.952 1.00 0.00 H +ATOM 247 HH11 ARG A 16 2.943 1.589 -6.236 1.00 0.00 H +ATOM 248 HH12 ARG A 16 2.578 2.515 -7.670 1.00 0.00 H +ATOM 249 HH21 ARG A 16 5.722 3.990 -7.801 1.00 0.00 H +ATOM 250 HH22 ARG A 16 4.153 3.860 -8.532 1.00 0.00 H +ATOM 251 N PRO A 17 7.339 2.336 -0.597 1.00 0.00 N +ATOM 252 CA PRO A 17 6.761 3.096 0.517 1.00 0.00 C +ATOM 253 C PRO A 17 5.236 3.291 0.376 1.00 0.00 C +ATOM 254 O PRO A 17 4.700 3.157 -0.728 1.00 0.00 O +ATOM 255 CB PRO A 17 7.502 4.441 0.515 1.00 0.00 C +ATOM 256 CG PRO A 17 7.925 4.615 -0.941 1.00 0.00 C +ATOM 257 CD PRO A 17 8.240 3.185 -1.367 1.00 0.00 C +ATOM 258 HA PRO A 17 6.966 2.571 1.450 1.00 0.00 H +ATOM 259 HB2 PRO A 17 6.852 5.237 0.823 1.00 0.00 H +ATOM 260 HB3 PRO A 17 8.390 4.367 1.144 1.00 0.00 H +ATOM 261 HG2 PRO A 17 7.129 5.028 -1.529 1.00 0.00 H +ATOM 262 HG3 PRO A 17 8.791 5.270 -1.039 1.00 0.00 H +ATOM 263 HD2 PRO A 17 8.064 3.060 -2.418 1.00 0.00 H +ATOM 264 HD3 PRO A 17 9.272 2.943 -1.108 1.00 0.00 H +ATOM 265 N PRO A 18 4.530 3.634 1.472 1.00 0.00 N +ATOM 266 CA PRO A 18 3.086 3.848 1.449 1.00 0.00 C +ATOM 267 C PRO A 18 2.698 5.104 0.650 1.00 0.00 C +ATOM 268 O PRO A 18 3.420 6.101 0.687 1.00 0.00 O +ATOM 269 CB PRO A 18 2.662 3.983 2.913 1.00 0.00 C +ATOM 270 CG PRO A 18 3.925 4.461 3.623 1.00 0.00 C +ATOM 271 CD PRO A 18 5.046 3.799 2.825 1.00 0.00 C +ATOM 272 HA PRO A 18 2.610 2.974 1.015 1.00 0.00 H +ATOM 273 HB2 PRO A 18 1.872 4.701 3.016 1.00 0.00 H +ATOM 274 HB3 PRO A 18 2.373 3.010 3.303 1.00 0.00 H +ATOM 275 HG2 PRO A 18 4.006 5.530 3.586 1.00 0.00 H +ATOM 276 HG3 PRO A 18 3.940 4.157 4.670 1.00 0.00 H +ATOM 277 HD2 PRO A 18 5.918 4.424 2.818 1.00 0.00 H +ATOM 278 HD3 PRO A 18 5.270 2.821 3.248 1.00 0.00 H +ATOM 279 N PRO A 19 1.537 5.098 -0.033 1.00 0.00 N +ATOM 280 CA PRO A 19 1.010 6.280 -0.696 1.00 0.00 C +ATOM 281 C PRO A 19 0.436 7.257 0.342 1.00 0.00 C +ATOM 282 O PRO A 19 -0.227 6.870 1.309 1.00 0.00 O +ATOM 283 CB PRO A 19 -0.043 5.743 -1.671 1.00 0.00 C +ATOM 284 CG PRO A 19 -0.579 4.494 -0.969 1.00 0.00 C +ATOM 285 CD PRO A 19 0.631 3.970 -0.196 1.00 0.00 C +ATOM 286 HA PRO A 19 1.802 6.778 -1.258 1.00 0.00 H +ATOM 287 HB2 PRO A 19 -0.825 6.462 -1.825 1.00 0.00 H +ATOM 288 HB3 PRO A 19 0.453 5.447 -2.598 1.00 0.00 H +ATOM 289 HG2 PRO A 19 -1.381 4.744 -0.302 1.00 0.00 H +ATOM 290 HG3 PRO A 19 -0.944 3.756 -1.684 1.00 0.00 H +ATOM 291 HD2 PRO A 19 0.326 3.598 0.763 1.00 0.00 H +ATOM 292 HD3 PRO A 19 1.130 3.194 -0.777 1.00 0.00 H +ATOM 293 N SER A 20 0.706 8.552 0.169 1.00 0.00 N +ATOM 294 CA SER A 20 0.162 9.640 0.988 1.00 0.00 C +ATOM 295 C SER A 20 -0.066 10.872 0.126 1.00 0.00 C +ATOM 296 O SER A 20 0.918 11.303 -0.513 1.00 0.00 O +ATOM 297 CB SER A 20 1.092 9.931 2.166 1.00 0.00 C +ATOM 298 OG SER A 20 1.001 8.805 3.014 1.00 0.00 O +ATOM 299 OXT SER A 20 -1.239 11.304 0.086 1.00 0.00 O +ATOM 300 H SER A 20 1.318 8.846 -0.582 1.00 0.00 H +ATOM 301 HA SER A 20 -0.816 9.367 1.381 1.00 0.00 H +ATOM 302 HB2 SER A 20 2.100 10.060 1.823 1.00 0.00 H +ATOM 303 HB3 SER A 20 0.767 10.828 2.696 1.00 0.00 H +ATOM 304 HG SER A 20 0.609 8.093 2.479 1.00 0.00 H +TER 305 SER A 20 +ENDMDL +MODEL 19 +ATOM 1 N ASN A 1 -4.711 8.428 -0.250 1.00 0.00 N +ATOM 2 CA ASN A 1 -5.482 7.459 -1.069 1.00 0.00 C +ATOM 3 C ASN A 1 -4.637 6.216 -1.384 1.00 0.00 C +ATOM 4 O ASN A 1 -3.508 6.151 -0.914 1.00 0.00 O +ATOM 5 CB ASN A 1 -6.058 8.123 -2.332 1.00 0.00 C +ATOM 6 CG ASN A 1 -7.308 7.368 -2.763 1.00 0.00 C +ATOM 7 OD1 ASN A 1 -8.229 7.219 -1.982 1.00 0.00 O +ATOM 8 ND2 ASN A 1 -7.347 6.788 -3.948 1.00 0.00 N +ATOM 9 H1 ASN A 1 -4.276 7.945 0.525 1.00 0.00 H +ATOM 10 H2 ASN A 1 -3.969 8.859 -0.792 1.00 0.00 H +ATOM 11 H3 ASN A 1 -5.313 9.159 0.105 1.00 0.00 H +ATOM 12 HA ASN A 1 -6.326 7.121 -0.463 1.00 0.00 H +ATOM 13 HB2 ASN A 1 -6.310 9.144 -2.119 1.00 0.00 H +ATOM 14 HB3 ASN A 1 -5.314 8.139 -3.131 1.00 0.00 H +ATOM 15 HD21 ASN A 1 -6.635 6.892 -4.653 1.00 0.00 H +ATOM 16 HD22 ASN A 1 -8.230 6.344 -4.151 1.00 0.00 H +ATOM 17 N LEU A 2 -5.165 5.225 -2.127 1.00 0.00 N +ATOM 18 CA LEU A 2 -4.498 3.973 -2.561 1.00 0.00 C +ATOM 19 C LEU A 2 -3.959 3.039 -1.451 1.00 0.00 C +ATOM 20 O LEU A 2 -3.474 1.944 -1.745 1.00 0.00 O +ATOM 21 CB LEU A 2 -3.435 4.298 -3.639 1.00 0.00 C +ATOM 22 CG LEU A 2 -4.002 4.275 -5.079 1.00 0.00 C +ATOM 23 CD1 LEU A 2 -3.796 5.613 -5.794 1.00 0.00 C +ATOM 24 CD2 LEU A 2 -3.342 3.164 -5.900 1.00 0.00 C +ATOM 25 H LEU A 2 -6.111 5.349 -2.465 1.00 0.00 H +ATOM 26 HA LEU A 2 -5.264 3.362 -3.041 1.00 0.00 H +ATOM 27 HB2 LEU A 2 -3.039 5.276 -3.444 1.00 0.00 H +ATOM 28 HB3 LEU A 2 -2.623 3.573 -3.570 1.00 0.00 H +ATOM 29 HG LEU A 2 -5.074 4.082 -5.054 1.00 0.00 H +ATOM 30 HD11 LEU A 2 -4.302 6.407 -5.250 1.00 0.00 H +ATOM 31 HD12 LEU A 2 -2.731 5.843 -5.862 1.00 0.00 H +ATOM 32 HD13 LEU A 2 -4.209 5.556 -6.802 1.00 0.00 H +ATOM 33 HD21 LEU A 2 -2.271 3.350 -5.990 1.00 0.00 H +ATOM 34 HD22 LEU A 2 -3.499 2.202 -5.413 1.00 0.00 H +ATOM 35 HD23 LEU A 2 -3.782 3.126 -6.897 1.00 0.00 H +ATOM 36 N TYR A 3 -4.101 3.418 -0.179 1.00 0.00 N +ATOM 37 CA TYR A 3 -3.547 2.721 0.982 1.00 0.00 C +ATOM 38 C TYR A 3 -4.035 1.268 1.120 1.00 0.00 C +ATOM 39 O TYR A 3 -3.246 0.381 1.446 1.00 0.00 O +ATOM 40 CB TYR A 3 -3.866 3.547 2.234 1.00 0.00 C +ATOM 41 CG TYR A 3 -2.864 3.337 3.348 1.00 0.00 C +ATOM 42 CD1 TYR A 3 -1.722 4.158 3.414 1.00 0.00 C +ATOM 43 CD2 TYR A 3 -3.059 2.315 4.297 1.00 0.00 C +ATOM 44 CE1 TYR A 3 -0.764 3.952 4.424 1.00 0.00 C +ATOM 45 CE2 TYR A 3 -2.106 2.111 5.311 1.00 0.00 C +ATOM 46 CZ TYR A 3 -0.953 2.921 5.370 1.00 0.00 C +ATOM 47 OH TYR A 3 -0.015 2.685 6.326 1.00 0.00 O +ATOM 48 H TYR A 3 -4.435 4.356 -0.036 1.00 0.00 H +ATOM 49 HA TYR A 3 -2.464 2.693 0.862 1.00 0.00 H +ATOM 50 HB2 TYR A 3 -3.869 4.586 1.967 1.00 0.00 H +ATOM 51 HB3 TYR A 3 -4.870 3.311 2.589 1.00 0.00 H +ATOM 52 HD1 TYR A 3 -1.570 4.949 2.689 1.00 0.00 H +ATOM 53 HD2 TYR A 3 -3.934 1.680 4.247 1.00 0.00 H +ATOM 54 HE1 TYR A 3 0.103 4.591 4.475 1.00 0.00 H +ATOM 55 HE2 TYR A 3 -2.233 1.337 6.051 1.00 0.00 H +ATOM 56 HH TYR A 3 0.804 3.144 6.139 1.00 0.00 H +ATOM 57 N ILE A 4 -5.316 1.007 0.820 1.00 0.00 N +ATOM 58 CA ILE A 4 -5.898 -0.342 0.812 1.00 0.00 C +ATOM 59 C ILE A 4 -5.161 -1.235 -0.200 1.00 0.00 C +ATOM 60 O ILE A 4 -4.707 -2.324 0.147 1.00 0.00 O +ATOM 61 CB ILE A 4 -7.424 -0.311 0.536 1.00 0.00 C +ATOM 62 CG1 ILE A 4 -8.202 0.658 1.464 1.00 0.00 C +ATOM 63 CG2 ILE A 4 -8.008 -1.726 0.703 1.00 0.00 C +ATOM 64 CD1 ILE A 4 -8.481 2.022 0.816 1.00 0.00 C +ATOM 65 H ILE A 4 -5.901 1.792 0.575 1.00 0.00 H +ATOM 66 HA ILE A 4 -5.743 -0.778 1.800 1.00 0.00 H +ATOM 67 HB ILE A 4 -7.593 -0.010 -0.501 1.00 0.00 H +ATOM 68 HG12 ILE A 4 -9.140 0.204 1.722 1.00 0.00 H +ATOM 69 HG13 ILE A 4 -7.659 0.801 2.399 1.00 0.00 H +ATOM 70 HG21 ILE A 4 -7.552 -2.414 -0.005 1.00 0.00 H +ATOM 71 HG22 ILE A 4 -7.831 -2.089 1.719 1.00 0.00 H +ATOM 72 HG23 ILE A 4 -9.082 -1.713 0.513 1.00 0.00 H +ATOM 73 HD11 ILE A 4 -7.555 2.566 0.645 1.00 0.00 H +ATOM 74 HD12 ILE A 4 -9.003 1.881 -0.131 1.00 0.00 H +ATOM 75 HD13 ILE A 4 -9.118 2.609 1.477 1.00 0.00 H +ATOM 76 N GLN A 5 -5.005 -0.767 -1.445 1.00 0.00 N +ATOM 77 CA GLN A 5 -4.266 -1.471 -2.496 1.00 0.00 C +ATOM 78 C GLN A 5 -2.794 -1.703 -2.131 1.00 0.00 C +ATOM 79 O GLN A 5 -2.290 -2.798 -2.375 1.00 0.00 O +ATOM 80 CB GLN A 5 -4.404 -0.714 -3.831 1.00 0.00 C +ATOM 81 CG GLN A 5 -5.577 -1.242 -4.674 1.00 0.00 C +ATOM 82 CD GLN A 5 -5.172 -2.342 -5.657 1.00 0.00 C +ATOM 83 OE1 GLN A 5 -5.444 -2.266 -6.841 1.00 0.00 O +ATOM 84 NE2 GLN A 5 -4.511 -3.407 -5.235 1.00 0.00 N +ATOM 85 H GLN A 5 -5.339 0.164 -1.640 1.00 0.00 H +ATOM 86 HA GLN A 5 -4.705 -2.459 -2.606 1.00 0.00 H +ATOM 87 HB2 GLN A 5 -4.567 0.326 -3.624 1.00 0.00 H +ATOM 88 HB3 GLN A 5 -3.485 -0.802 -4.412 1.00 0.00 H +ATOM 89 HG2 GLN A 5 -6.322 -1.636 -4.010 1.00 0.00 H +ATOM 90 HG3 GLN A 5 -5.980 -0.410 -5.253 1.00 0.00 H +ATOM 91 HE21 GLN A 5 -4.079 -3.463 -4.327 1.00 0.00 H +ATOM 92 HE22 GLN A 5 -4.196 -3.952 -6.023 1.00 0.00 H +ATOM 93 N TRP A 6 -2.131 -0.715 -1.517 1.00 0.00 N +ATOM 94 CA TRP A 6 -0.771 -0.866 -0.989 1.00 0.00 C +ATOM 95 C TRP A 6 -0.676 -1.954 0.096 1.00 0.00 C +ATOM 96 O TRP A 6 0.217 -2.804 0.034 1.00 0.00 O +ATOM 97 CB TRP A 6 -0.278 0.492 -0.481 1.00 0.00 C +ATOM 98 CG TRP A 6 1.076 0.483 0.156 1.00 0.00 C +ATOM 99 CD1 TRP A 6 2.258 0.449 -0.500 1.00 0.00 C +ATOM 100 CD2 TRP A 6 1.409 0.516 1.577 1.00 0.00 C +ATOM 101 NE1 TRP A 6 3.295 0.438 0.415 1.00 0.00 N +ATOM 102 CE2 TRP A 6 2.830 0.499 1.706 1.00 0.00 C +ATOM 103 CE3 TRP A 6 0.660 0.554 2.771 1.00 0.00 C +ATOM 104 CZ2 TRP A 6 3.479 0.537 2.947 1.00 0.00 C +ATOM 105 CZ3 TRP A 6 1.299 0.565 4.026 1.00 0.00 C +ATOM 106 CH2 TRP A 6 2.703 0.571 4.116 1.00 0.00 C +ATOM 107 H TRP A 6 -2.609 0.176 -1.403 1.00 0.00 H +ATOM 108 HA TRP A 6 -0.117 -1.181 -1.802 1.00 0.00 H +ATOM 109 HB2 TRP A 6 -0.248 1.167 -1.315 1.00 0.00 H +ATOM 110 HB3 TRP A 6 -0.989 0.883 0.245 1.00 0.00 H +ATOM 111 HD1 TRP A 6 2.367 0.437 -1.575 1.00 0.00 H +ATOM 112 HE1 TRP A 6 4.290 0.412 0.180 1.00 0.00 H +ATOM 113 HE3 TRP A 6 -0.419 0.574 2.716 1.00 0.00 H +ATOM 114 HZ2 TRP A 6 4.558 0.526 2.988 1.00 0.00 H +ATOM 115 HZ3 TRP A 6 0.705 0.572 4.929 1.00 0.00 H +ATOM 116 HH2 TRP A 6 3.181 0.592 5.084 1.00 0.00 H +ATOM 117 N LEU A 7 -1.612 -1.982 1.056 1.00 0.00 N +ATOM 118 CA LEU A 7 -1.688 -3.061 2.044 1.00 0.00 C +ATOM 119 C LEU A 7 -1.950 -4.430 1.398 1.00 0.00 C +ATOM 120 O LEU A 7 -1.263 -5.384 1.758 1.00 0.00 O +ATOM 121 CB LEU A 7 -2.739 -2.752 3.125 1.00 0.00 C +ATOM 122 CG LEU A 7 -2.322 -1.677 4.150 1.00 0.00 C +ATOM 123 CD1 LEU A 7 -3.497 -1.435 5.104 1.00 0.00 C +ATOM 124 CD2 LEU A 7 -1.106 -2.095 4.988 1.00 0.00 C +ATOM 125 H LEU A 7 -2.302 -1.233 1.088 1.00 0.00 H +ATOM 126 HA LEU A 7 -0.712 -3.148 2.521 1.00 0.00 H +ATOM 127 HB2 LEU A 7 -3.632 -2.416 2.635 1.00 0.00 H +ATOM 128 HB3 LEU A 7 -2.947 -3.672 3.673 1.00 0.00 H +ATOM 129 HG LEU A 7 -2.094 -0.746 3.637 1.00 0.00 H +ATOM 130 HD11 LEU A 7 -4.353 -1.060 4.542 1.00 0.00 H +ATOM 131 HD12 LEU A 7 -3.770 -2.364 5.605 1.00 0.00 H +ATOM 132 HD13 LEU A 7 -3.222 -0.700 5.856 1.00 0.00 H +ATOM 133 HD21 LEU A 7 -1.285 -3.061 5.457 1.00 0.00 H +ATOM 134 HD22 LEU A 7 -0.217 -2.154 4.362 1.00 0.00 H +ATOM 135 HD23 LEU A 7 -0.919 -1.351 5.762 1.00 0.00 H +ATOM 136 N LYS A 8 -2.879 -4.534 0.430 1.00 0.00 N +ATOM 137 CA LYS A 8 -3.176 -5.792 -0.293 1.00 0.00 C +ATOM 138 C LYS A 8 -1.940 -6.427 -0.932 1.00 0.00 C +ATOM 139 O LYS A 8 -1.861 -7.649 -0.988 1.00 0.00 O +ATOM 140 CB LYS A 8 -4.234 -5.580 -1.389 1.00 0.00 C +ATOM 141 CG LYS A 8 -5.650 -5.363 -0.841 1.00 0.00 C +ATOM 142 CD LYS A 8 -6.641 -4.855 -1.906 1.00 0.00 C +ATOM 143 CE LYS A 8 -7.271 -5.959 -2.767 1.00 0.00 C +ATOM 144 NZ LYS A 8 -6.386 -6.423 -3.863 1.00 0.00 N +ATOM 145 H LYS A 8 -3.427 -3.700 0.224 1.00 0.00 H +ATOM 146 HA LYS A 8 -3.550 -6.525 0.424 1.00 0.00 H +ATOM 147 HB2 LYS A 8 -3.957 -4.718 -1.966 1.00 0.00 H +ATOM 148 HB3 LYS A 8 -4.252 -6.467 -2.023 1.00 0.00 H +ATOM 149 HG2 LYS A 8 -6.013 -6.296 -0.455 1.00 0.00 H +ATOM 150 HG3 LYS A 8 -5.609 -4.626 -0.042 1.00 0.00 H +ATOM 151 HD2 LYS A 8 -7.431 -4.329 -1.405 1.00 0.00 H +ATOM 152 HD3 LYS A 8 -6.171 -4.105 -2.541 1.00 0.00 H +ATOM 153 HE2 LYS A 8 -7.499 -6.796 -2.135 1.00 0.00 H +ATOM 154 HE3 LYS A 8 -8.193 -5.560 -3.199 1.00 0.00 H +ATOM 155 HZ1 LYS A 8 -6.162 -5.656 -4.484 1.00 0.00 H +ATOM 156 HZ2 LYS A 8 -5.528 -6.807 -3.488 1.00 0.00 H +ATOM 157 HZ3 LYS A 8 -6.850 -7.145 -4.401 1.00 0.00 H +ATOM 158 N ASP A 9 -1.006 -5.612 -1.428 1.00 0.00 N +ATOM 159 CA ASP A 9 0.249 -6.089 -2.012 1.00 0.00 C +ATOM 160 C ASP A 9 1.195 -6.700 -0.957 1.00 0.00 C +ATOM 161 O ASP A 9 1.906 -7.655 -1.257 1.00 0.00 O +ATOM 162 CB ASP A 9 0.908 -4.913 -2.751 1.00 0.00 C +ATOM 163 CG ASP A 9 1.926 -5.376 -3.792 1.00 0.00 C +ATOM 164 OD1 ASP A 9 3.079 -5.637 -3.380 1.00 0.00 O +ATOM 165 OD2 ASP A 9 1.557 -5.417 -4.986 1.00 0.00 O +ATOM 166 H ASP A 9 -1.181 -4.614 -1.403 1.00 0.00 H +ATOM 167 HA ASP A 9 0.021 -6.868 -2.743 1.00 0.00 H +ATOM 168 HB2 ASP A 9 0.144 -4.345 -3.245 1.00 0.00 H +ATOM 169 HB3 ASP A 9 1.399 -4.255 -2.030 1.00 0.00 H +ATOM 170 N GLY A 10 1.167 -6.180 0.281 1.00 0.00 N +ATOM 171 CA GLY A 10 2.093 -6.534 1.364 1.00 0.00 C +ATOM 172 C GLY A 10 2.641 -5.339 2.162 1.00 0.00 C +ATOM 173 O GLY A 10 3.484 -5.529 3.044 1.00 0.00 O +ATOM 174 H GLY A 10 0.409 -5.539 0.486 1.00 0.00 H +ATOM 175 HA2 GLY A 10 1.576 -7.194 2.060 1.00 0.00 H +ATOM 176 HA3 GLY A 10 2.946 -7.076 0.955 1.00 0.00 H +ATOM 177 N GLY A 11 2.182 -4.110 1.882 1.00 0.00 N +ATOM 178 CA GLY A 11 2.599 -2.906 2.599 1.00 0.00 C +ATOM 179 C GLY A 11 4.124 -2.698 2.547 1.00 0.00 C +ATOM 180 O GLY A 11 4.696 -2.700 1.453 1.00 0.00 O +ATOM 181 H GLY A 11 1.532 -3.983 1.113 1.00 0.00 H +ATOM 182 HA2 GLY A 11 2.116 -2.047 2.140 1.00 0.00 H +ATOM 183 HA3 GLY A 11 2.249 -2.984 3.627 1.00 0.00 H +ATOM 184 N PRO A 12 4.822 -2.540 3.693 1.00 0.00 N +ATOM 185 CA PRO A 12 6.282 -2.419 3.719 1.00 0.00 C +ATOM 186 C PRO A 12 7.024 -3.621 3.110 1.00 0.00 C +ATOM 187 O PRO A 12 8.145 -3.463 2.631 1.00 0.00 O +ATOM 188 CB PRO A 12 6.668 -2.252 5.194 1.00 0.00 C +ATOM 189 CG PRO A 12 5.381 -1.788 5.872 1.00 0.00 C +ATOM 190 CD PRO A 12 4.292 -2.472 5.049 1.00 0.00 C +ATOM 191 HA PRO A 12 6.564 -1.518 3.171 1.00 0.00 H +ATOM 192 HB2 PRO A 12 7.000 -3.185 5.608 1.00 0.00 H +ATOM 193 HB3 PRO A 12 7.469 -1.522 5.318 1.00 0.00 H +ATOM 194 HG2 PRO A 12 5.348 -2.107 6.896 1.00 0.00 H +ATOM 195 HG3 PRO A 12 5.287 -0.705 5.777 1.00 0.00 H +ATOM 196 HD2 PRO A 12 4.098 -3.457 5.427 1.00 0.00 H +ATOM 197 HD3 PRO A 12 3.371 -1.895 5.104 1.00 0.00 H +ATOM 198 N SER A 13 6.411 -4.816 3.098 1.00 0.00 N +ATOM 199 CA SER A 13 7.038 -6.057 2.614 1.00 0.00 C +ATOM 200 C SER A 13 7.028 -6.197 1.080 1.00 0.00 C +ATOM 201 O SER A 13 7.416 -7.241 0.562 1.00 0.00 O +ATOM 202 CB SER A 13 6.390 -7.277 3.283 1.00 0.00 C +ATOM 203 OG SER A 13 6.567 -7.211 4.686 1.00 0.00 O +ATOM 204 H SER A 13 5.434 -4.862 3.375 1.00 0.00 H +ATOM 205 HA SER A 13 8.085 -6.051 2.913 1.00 0.00 H +ATOM 206 HB2 SER A 13 5.341 -7.291 3.057 1.00 0.00 H +ATOM 207 HB3 SER A 13 6.867 -8.188 2.919 1.00 0.00 H +ATOM 208 HG SER A 13 6.098 -6.440 5.015 1.00 0.00 H +ATOM 209 N SER A 14 6.620 -5.147 0.358 1.00 0.00 N +ATOM 210 CA SER A 14 6.465 -5.116 -1.104 1.00 0.00 C +ATOM 211 C SER A 14 7.520 -4.277 -1.839 1.00 0.00 C +ATOM 212 O SER A 14 7.383 -4.035 -3.039 1.00 0.00 O +ATOM 213 CB SER A 14 5.072 -4.582 -1.431 1.00 0.00 C +ATOM 214 OG SER A 14 4.112 -5.580 -1.231 1.00 0.00 O +ATOM 215 H SER A 14 6.276 -4.349 0.876 1.00 0.00 H +ATOM 216 HA SER A 14 6.531 -6.130 -1.502 1.00 0.00 H +ATOM 217 HB2 SER A 14 4.854 -3.747 -0.793 1.00 0.00 H +ATOM 218 HB3 SER A 14 5.022 -4.287 -2.477 1.00 0.00 H +ATOM 219 HG SER A 14 3.651 -5.690 -2.148 1.00 0.00 H +ATOM 220 N GLY A 15 8.549 -3.780 -1.139 1.00 0.00 N +ATOM 221 CA GLY A 15 9.587 -2.933 -1.741 1.00 0.00 C +ATOM 222 C GLY A 15 9.096 -1.536 -2.151 1.00 0.00 C +ATOM 223 O GLY A 15 9.726 -0.894 -2.987 1.00 0.00 O +ATOM 224 H GLY A 15 8.618 -4.033 -0.161 1.00 0.00 H +ATOM 225 HA2 GLY A 15 10.410 -2.813 -1.039 1.00 0.00 H +ATOM 226 HA3 GLY A 15 9.975 -3.426 -2.634 1.00 0.00 H +ATOM 227 N ARG A 16 7.969 -1.073 -1.587 1.00 0.00 N +ATOM 228 CA ARG A 16 7.285 0.177 -1.944 1.00 0.00 C +ATOM 229 C ARG A 16 6.807 0.935 -0.691 1.00 0.00 C +ATOM 230 O ARG A 16 6.125 0.336 0.145 1.00 0.00 O +ATOM 231 CB ARG A 16 6.131 -0.110 -2.930 1.00 0.00 C +ATOM 232 CG ARG A 16 5.136 -1.187 -2.454 1.00 0.00 C +ATOM 233 CD ARG A 16 3.995 -1.438 -3.443 1.00 0.00 C +ATOM 234 NE ARG A 16 4.473 -2.075 -4.685 1.00 0.00 N +ATOM 235 CZ ARG A 16 4.016 -1.881 -5.916 1.00 0.00 C +ATOM 236 NH1 ARG A 16 3.041 -1.038 -6.174 1.00 0.00 N +ATOM 237 NH2 ARG A 16 4.543 -2.530 -6.926 1.00 0.00 N +ATOM 238 H ARG A 16 7.539 -1.660 -0.885 1.00 0.00 H +ATOM 239 HA ARG A 16 8.004 0.797 -2.475 1.00 0.00 H +ATOM 240 HB2 ARG A 16 5.588 0.802 -3.085 1.00 0.00 H +ATOM 241 HB3 ARG A 16 6.569 -0.435 -3.874 1.00 0.00 H +ATOM 242 HG2 ARG A 16 5.671 -2.106 -2.312 1.00 0.00 H +ATOM 243 HG3 ARG A 16 4.696 -0.891 -1.507 1.00 0.00 H +ATOM 244 HD2 ARG A 16 3.270 -2.080 -2.981 1.00 0.00 H +ATOM 245 HD3 ARG A 16 3.510 -0.485 -3.654 1.00 0.00 H +ATOM 246 HE ARG A 16 5.199 -2.769 -4.574 1.00 0.00 H +ATOM 247 HH11 ARG A 16 2.612 -0.568 -5.400 1.00 0.00 H +ATOM 248 HH12 ARG A 16 2.697 -0.911 -7.106 1.00 0.00 H +ATOM 249 HH21 ARG A 16 5.261 -3.213 -6.759 1.00 0.00 H +ATOM 250 HH22 ARG A 16 4.184 -2.398 -7.852 1.00 0.00 H +ATOM 251 N PRO A 17 7.131 2.235 -0.537 1.00 0.00 N +ATOM 252 CA PRO A 17 6.706 3.032 0.616 1.00 0.00 C +ATOM 253 C PRO A 17 5.183 3.290 0.607 1.00 0.00 C +ATOM 254 O PRO A 17 4.540 3.099 -0.429 1.00 0.00 O +ATOM 255 CB PRO A 17 7.514 4.332 0.509 1.00 0.00 C +ATOM 256 CG PRO A 17 7.726 4.499 -0.992 1.00 0.00 C +ATOM 257 CD PRO A 17 7.879 3.059 -1.478 1.00 0.00 C +ATOM 258 HA PRO A 17 6.972 2.511 1.537 1.00 0.00 H +ATOM 259 HB2 PRO A 17 6.963 5.160 0.913 1.00 0.00 H +ATOM 260 HB3 PRO A 17 8.479 4.197 1.000 1.00 0.00 H +ATOM 261 HG2 PRO A 17 6.880 4.973 -1.451 1.00 0.00 H +ATOM 262 HG3 PRO A 17 8.611 5.095 -1.213 1.00 0.00 H +ATOM 263 HD2 PRO A 17 7.476 2.955 -2.467 1.00 0.00 H +ATOM 264 HD3 PRO A 17 8.931 2.771 -1.454 1.00 0.00 H +ATOM 265 N PRO A 18 4.594 3.738 1.736 1.00 0.00 N +ATOM 266 CA PRO A 18 3.165 4.041 1.816 1.00 0.00 C +ATOM 267 C PRO A 18 2.783 5.192 0.871 1.00 0.00 C +ATOM 268 O PRO A 18 3.492 6.199 0.824 1.00 0.00 O +ATOM 269 CB PRO A 18 2.894 4.397 3.281 1.00 0.00 C +ATOM 270 CG PRO A 18 4.254 4.847 3.808 1.00 0.00 C +ATOM 271 CD PRO A 18 5.233 3.978 3.023 1.00 0.00 C +ATOM 272 HA PRO A 18 2.603 3.146 1.565 1.00 0.00 H +ATOM 273 HB2 PRO A 18 2.175 5.190 3.354 1.00 0.00 H +ATOM 274 HB3 PRO A 18 2.571 3.506 3.818 1.00 0.00 H +ATOM 275 HG2 PRO A 18 4.419 5.889 3.610 1.00 0.00 H +ATOM 276 HG3 PRO A 18 4.347 4.691 4.883 1.00 0.00 H +ATOM 277 HD2 PRO A 18 6.166 4.491 2.889 1.00 0.00 H +ATOM 278 HD3 PRO A 18 5.375 3.027 3.537 1.00 0.00 H +ATOM 279 N PRO A 19 1.669 5.075 0.121 1.00 0.00 N +ATOM 280 CA PRO A 19 1.193 6.145 -0.742 1.00 0.00 C +ATOM 281 C PRO A 19 0.412 7.189 0.066 1.00 0.00 C +ATOM 282 O PRO A 19 -0.366 6.839 0.959 1.00 0.00 O +ATOM 283 CB PRO A 19 0.286 5.445 -1.758 1.00 0.00 C +ATOM 284 CG PRO A 19 -0.334 4.311 -0.945 1.00 0.00 C +ATOM 285 CD PRO A 19 0.787 3.922 0.021 1.00 0.00 C +ATOM 286 HA PRO A 19 2.027 6.623 -1.257 1.00 0.00 H +ATOM 287 HB2 PRO A 19 -0.469 6.113 -2.125 1.00 0.00 H +ATOM 288 HB3 PRO A 19 0.899 5.024 -2.558 1.00 0.00 H +ATOM 289 HG2 PRO A 19 -1.202 4.649 -0.412 1.00 0.00 H +ATOM 290 HG3 PRO A 19 -0.632 3.479 -1.581 1.00 0.00 H +ATOM 291 HD2 PRO A 19 0.379 3.683 0.984 1.00 0.00 H +ATOM 292 HD3 PRO A 19 1.349 3.085 -0.391 1.00 0.00 H +ATOM 293 N SER A 20 0.545 8.452 -0.361 1.00 0.00 N +ATOM 294 CA SER A 20 -0.267 9.613 0.032 1.00 0.00 C +ATOM 295 C SER A 20 0.099 10.270 1.361 1.00 0.00 C +ATOM 296 O SER A 20 1.001 9.777 2.071 1.00 0.00 O +ATOM 297 CB SER A 20 -1.745 9.233 0.059 1.00 0.00 C +ATOM 298 OG SER A 20 -2.498 10.392 -0.203 1.00 0.00 O +ATOM 299 OXT SER A 20 -0.596 11.284 1.612 1.00 0.00 O +ATOM 300 H SER A 20 1.265 8.618 -1.047 1.00 0.00 H +ATOM 301 HA SER A 20 -0.121 10.385 -0.723 1.00 0.00 H +ATOM 302 HB2 SER A 20 -1.944 8.492 -0.691 1.00 0.00 H +ATOM 303 HB3 SER A 20 -1.994 8.859 1.055 1.00 0.00 H +ATOM 304 HG SER A 20 -2.028 11.083 0.314 1.00 0.00 H +TER 305 SER A 20 +ENDMDL +MODEL 20 +ATOM 1 N ASN A 1 -8.559 6.374 -1.226 1.00 0.00 N +ATOM 2 CA ASN A 1 -7.539 6.170 -0.168 1.00 0.00 C +ATOM 3 C ASN A 1 -6.191 5.649 -0.655 1.00 0.00 C +ATOM 4 O ASN A 1 -5.194 6.053 -0.072 1.00 0.00 O +ATOM 5 CB ASN A 1 -8.062 5.285 0.966 1.00 0.00 C +ATOM 6 CG ASN A 1 -8.992 6.102 1.840 1.00 0.00 C +ATOM 7 OD1 ASN A 1 -10.159 6.243 1.517 1.00 0.00 O +ATOM 8 ND2 ASN A 1 -8.488 6.730 2.886 1.00 0.00 N +ATOM 9 H1 ASN A 1 -8.207 6.992 -1.945 1.00 0.00 H +ATOM 10 H2 ASN A 1 -8.827 5.491 -1.639 1.00 0.00 H +ATOM 11 H3 ASN A 1 -9.389 6.786 -0.814 1.00 0.00 H +ATOM 12 HA ASN A 1 -7.316 7.145 0.269 1.00 0.00 H +ATOM 13 HB2 ASN A 1 -8.596 4.450 0.554 1.00 0.00 H +ATOM 14 HB3 ASN A 1 -7.238 4.906 1.572 1.00 0.00 H +ATOM 15 HD21 ASN A 1 -7.518 6.672 3.157 1.00 0.00 H +ATOM 16 HD22 ASN A 1 -9.151 7.262 3.426 1.00 0.00 H +ATOM 17 N LEU A 2 -6.126 4.735 -1.642 1.00 0.00 N +ATOM 18 CA LEU A 2 -4.891 4.125 -2.180 1.00 0.00 C +ATOM 19 C LEU A 2 -4.153 3.176 -1.204 1.00 0.00 C +ATOM 20 O LEU A 2 -3.597 2.164 -1.636 1.00 0.00 O +ATOM 21 CB LEU A 2 -3.962 5.228 -2.759 1.00 0.00 C +ATOM 22 CG LEU A 2 -3.563 5.018 -4.237 1.00 0.00 C +ATOM 23 CD1 LEU A 2 -3.974 6.221 -5.092 1.00 0.00 C +ATOM 24 CD2 LEU A 2 -2.055 4.808 -4.389 1.00 0.00 C +ATOM 25 H LEU A 2 -6.972 4.387 -2.062 1.00 0.00 H +ATOM 26 HA LEU A 2 -5.209 3.487 -3.002 1.00 0.00 H +ATOM 27 HB2 LEU A 2 -4.470 6.170 -2.679 1.00 0.00 H +ATOM 28 HB3 LEU A 2 -3.068 5.296 -2.140 1.00 0.00 H +ATOM 29 HG LEU A 2 -4.066 4.139 -4.638 1.00 0.00 H +ATOM 30 HD11 LEU A 2 -5.024 6.461 -4.923 1.00 0.00 H +ATOM 31 HD12 LEU A 2 -3.363 7.091 -4.843 1.00 0.00 H +ATOM 32 HD13 LEU A 2 -3.839 5.983 -6.147 1.00 0.00 H +ATOM 33 HD21 LEU A 2 -1.524 5.712 -4.089 1.00 0.00 H +ATOM 34 HD22 LEU A 2 -1.743 3.967 -3.772 1.00 0.00 H +ATOM 35 HD23 LEU A 2 -1.820 4.596 -5.432 1.00 0.00 H +ATOM 36 N TYR A 3 -4.202 3.452 0.106 1.00 0.00 N +ATOM 37 CA TYR A 3 -3.575 2.669 1.174 1.00 0.00 C +ATOM 38 C TYR A 3 -4.020 1.200 1.203 1.00 0.00 C +ATOM 39 O TYR A 3 -3.195 0.322 1.447 1.00 0.00 O +ATOM 40 CB TYR A 3 -3.843 3.340 2.530 1.00 0.00 C +ATOM 41 CG TYR A 3 -2.673 3.212 3.480 1.00 0.00 C +ATOM 42 CD1 TYR A 3 -2.543 2.088 4.320 1.00 0.00 C +ATOM 43 CD2 TYR A 3 -1.689 4.217 3.496 1.00 0.00 C +ATOM 44 CE1 TYR A 3 -1.427 1.974 5.172 1.00 0.00 C +ATOM 45 CE2 TYR A 3 -0.574 4.112 4.346 1.00 0.00 C +ATOM 46 CZ TYR A 3 -0.438 2.983 5.184 1.00 0.00 C +ATOM 47 OH TYR A 3 0.646 2.858 5.993 1.00 0.00 O +ATOM 48 H TYR A 3 -4.568 4.369 0.345 1.00 0.00 H +ATOM 49 HA TYR A 3 -2.498 2.677 1.000 1.00 0.00 H +ATOM 50 HB2 TYR A 3 -4.041 4.382 2.366 1.00 0.00 H +ATOM 51 HB3 TYR A 3 -4.737 2.911 2.988 1.00 0.00 H +ATOM 52 HD1 TYR A 3 -3.296 1.314 4.305 1.00 0.00 H +ATOM 53 HD2 TYR A 3 -1.794 5.082 2.856 1.00 0.00 H +ATOM 54 HE1 TYR A 3 -1.307 1.120 5.821 1.00 0.00 H +ATOM 55 HE2 TYR A 3 0.166 4.899 4.359 1.00 0.00 H +ATOM 56 HH TYR A 3 1.278 3.565 5.851 1.00 0.00 H +ATOM 57 N ILE A 4 -5.303 0.928 0.911 1.00 0.00 N +ATOM 58 CA ILE A 4 -5.843 -0.436 0.816 1.00 0.00 C +ATOM 59 C ILE A 4 -5.054 -1.237 -0.220 1.00 0.00 C +ATOM 60 O ILE A 4 -4.584 -2.327 0.084 1.00 0.00 O +ATOM 61 CB ILE A 4 -7.357 -0.449 0.483 1.00 0.00 C +ATOM 62 CG1 ILE A 4 -8.184 0.429 1.452 1.00 0.00 C +ATOM 63 CG2 ILE A 4 -7.909 -1.886 0.515 1.00 0.00 C +ATOM 64 CD1 ILE A 4 -8.655 1.719 0.779 1.00 0.00 C +ATOM 65 H ILE A 4 -5.915 1.709 0.742 1.00 0.00 H +ATOM 66 HA ILE A 4 -5.704 -0.925 1.782 1.00 0.00 H +ATOM 67 HB ILE A 4 -7.493 -0.077 -0.536 1.00 0.00 H +ATOM 68 HG12 ILE A 4 -9.042 -0.126 1.779 1.00 0.00 H +ATOM 69 HG13 ILE A 4 -7.595 0.676 2.336 1.00 0.00 H +ATOM 70 HG21 ILE A 4 -7.390 -2.519 -0.204 1.00 0.00 H +ATOM 71 HG22 ILE A 4 -7.795 -2.311 1.514 1.00 0.00 H +ATOM 72 HG23 ILE A 4 -8.968 -1.881 0.251 1.00 0.00 H +ATOM 73 HD11 ILE A 4 -7.807 2.246 0.343 1.00 0.00 H +ATOM 74 HD12 ILE A 4 -9.375 1.482 -0.007 1.00 0.00 H +ATOM 75 HD13 ILE A 4 -9.141 2.352 1.521 1.00 0.00 H +ATOM 76 N GLN A 5 -4.882 -0.682 -1.427 1.00 0.00 N +ATOM 77 CA GLN A 5 -4.187 -1.318 -2.543 1.00 0.00 C +ATOM 78 C GLN A 5 -2.715 -1.599 -2.195 1.00 0.00 C +ATOM 79 O GLN A 5 -2.236 -2.714 -2.401 1.00 0.00 O +ATOM 80 CB GLN A 5 -4.359 -0.428 -3.793 1.00 0.00 C +ATOM 81 CG GLN A 5 -4.481 -1.221 -5.109 1.00 0.00 C +ATOM 82 CD GLN A 5 -3.302 -1.006 -6.054 1.00 0.00 C +ATOM 83 OE1 GLN A 5 -2.144 -1.029 -5.666 1.00 0.00 O +ATOM 84 NE2 GLN A 5 -3.557 -0.777 -7.329 1.00 0.00 N +ATOM 85 H GLN A 5 -5.224 0.258 -1.562 1.00 0.00 H +ATOM 86 HA GLN A 5 -4.671 -2.279 -2.721 1.00 0.00 H +ATOM 87 HB2 GLN A 5 -5.247 0.161 -3.669 1.00 0.00 H +ATOM 88 HB3 GLN A 5 -3.541 0.293 -3.855 1.00 0.00 H +ATOM 89 HG2 GLN A 5 -4.542 -2.266 -4.873 1.00 0.00 H +ATOM 90 HG3 GLN A 5 -5.394 -0.897 -5.613 1.00 0.00 H +ATOM 91 HE21 GLN A 5 -4.491 -0.741 -7.700 1.00 0.00 H +ATOM 92 HE22 GLN A 5 -2.737 -0.694 -7.906 1.00 0.00 H +ATOM 93 N TRP A 6 -2.029 -0.624 -1.578 1.00 0.00 N +ATOM 94 CA TRP A 6 -0.665 -0.788 -1.058 1.00 0.00 C +ATOM 95 C TRP A 6 -0.556 -1.893 0.011 1.00 0.00 C +ATOM 96 O TRP A 6 0.331 -2.745 -0.077 1.00 0.00 O +ATOM 97 CB TRP A 6 -0.159 0.559 -0.523 1.00 0.00 C +ATOM 98 CG TRP A 6 1.225 0.523 0.051 1.00 0.00 C +ATOM 99 CD1 TRP A 6 2.372 0.435 -0.663 1.00 0.00 C +ATOM 100 CD2 TRP A 6 1.630 0.513 1.454 1.00 0.00 C +ATOM 101 NE1 TRP A 6 3.451 0.386 0.196 1.00 0.00 N +ATOM 102 CE2 TRP A 6 3.054 0.444 1.511 1.00 0.00 C +ATOM 103 CE3 TRP A 6 0.945 0.537 2.688 1.00 0.00 C +ATOM 104 CZ2 TRP A 6 3.767 0.433 2.717 1.00 0.00 C +ATOM 105 CZ3 TRP A 6 1.648 0.497 3.907 1.00 0.00 C +ATOM 106 CH2 TRP A 6 3.054 0.465 3.925 1.00 0.00 C +ATOM 107 H TRP A 6 -2.509 0.259 -1.436 1.00 0.00 H +ATOM 108 HA TRP A 6 -0.018 -1.090 -1.882 1.00 0.00 H +ATOM 109 HB2 TRP A 6 -0.168 1.265 -1.331 1.00 0.00 H +ATOM 110 HB3 TRP A 6 -0.840 0.912 0.252 1.00 0.00 H +ATOM 111 HD1 TRP A 6 2.432 0.386 -1.739 1.00 0.00 H +ATOM 112 HE1 TRP A 6 4.433 0.309 -0.087 1.00 0.00 H +ATOM 113 HE3 TRP A 6 -0.135 0.584 2.691 1.00 0.00 H +ATOM 114 HZ2 TRP A 6 4.847 0.386 2.702 1.00 0.00 H +ATOM 115 HZ3 TRP A 6 1.107 0.502 4.843 1.00 0.00 H +ATOM 116 HH2 TRP A 6 3.581 0.457 4.869 1.00 0.00 H +ATOM 117 N LEU A 7 -1.463 -1.916 0.999 1.00 0.00 N +ATOM 118 CA LEU A 7 -1.525 -3.000 1.984 1.00 0.00 C +ATOM 119 C LEU A 7 -1.822 -4.357 1.333 1.00 0.00 C +ATOM 120 O LEU A 7 -1.178 -5.338 1.700 1.00 0.00 O +ATOM 121 CB LEU A 7 -2.557 -2.691 3.086 1.00 0.00 C +ATOM 122 CG LEU A 7 -2.097 -1.666 4.139 1.00 0.00 C +ATOM 123 CD1 LEU A 7 -3.252 -1.407 5.113 1.00 0.00 C +ATOM 124 CD2 LEU A 7 -0.893 -2.152 4.958 1.00 0.00 C +ATOM 125 H LEU A 7 -2.157 -1.171 1.046 1.00 0.00 H +ATOM 126 HA LEU A 7 -0.541 -3.101 2.440 1.00 0.00 H +ATOM 127 HB2 LEU A 7 -3.443 -2.310 2.615 1.00 0.00 H +ATOM 128 HB3 LEU A 7 -2.794 -3.620 3.606 1.00 0.00 H +ATOM 129 HG LEU A 7 -1.835 -0.730 3.648 1.00 0.00 H +ATOM 130 HD11 LEU A 7 -4.113 -1.019 4.569 1.00 0.00 H +ATOM 131 HD12 LEU A 7 -3.533 -2.334 5.614 1.00 0.00 H +ATOM 132 HD13 LEU A 7 -2.951 -0.680 5.866 1.00 0.00 H +ATOM 133 HD21 LEU A 7 -1.114 -3.120 5.409 1.00 0.00 H +ATOM 134 HD22 LEU A 7 -0.012 -2.241 4.326 1.00 0.00 H +ATOM 135 HD23 LEU A 7 -0.668 -1.436 5.747 1.00 0.00 H +ATOM 136 N LYS A 8 -2.738 -4.419 0.353 1.00 0.00 N +ATOM 137 CA LYS A 8 -3.104 -5.647 -0.376 1.00 0.00 C +ATOM 138 C LYS A 8 -1.891 -6.322 -1.027 1.00 0.00 C +ATOM 139 O LYS A 8 -1.817 -7.547 -1.040 1.00 0.00 O +ATOM 140 CB LYS A 8 -4.205 -5.340 -1.415 1.00 0.00 C +ATOM 141 CG LYS A 8 -5.335 -6.380 -1.451 1.00 0.00 C +ATOM 142 CD LYS A 8 -4.972 -7.663 -2.207 1.00 0.00 C +ATOM 143 CE LYS A 8 -6.125 -8.664 -2.114 1.00 0.00 C +ATOM 144 NZ LYS A 8 -5.771 -9.943 -2.773 1.00 0.00 N +ATOM 145 H LYS A 8 -3.250 -3.563 0.145 1.00 0.00 H +ATOM 146 HA LYS A 8 -3.490 -6.354 0.358 1.00 0.00 H +ATOM 147 HB2 LYS A 8 -4.633 -4.384 -1.181 1.00 0.00 H +ATOM 148 HB3 LYS A 8 -3.770 -5.224 -2.411 1.00 0.00 H +ATOM 149 HG2 LYS A 8 -5.586 -6.642 -0.441 1.00 0.00 H +ATOM 150 HG3 LYS A 8 -6.197 -5.928 -1.944 1.00 0.00 H +ATOM 151 HD2 LYS A 8 -4.786 -7.429 -3.237 1.00 0.00 H +ATOM 152 HD3 LYS A 8 -4.085 -8.111 -1.765 1.00 0.00 H +ATOM 153 HE2 LYS A 8 -6.345 -8.851 -1.081 1.00 0.00 H +ATOM 154 HE3 LYS A 8 -7.012 -8.228 -2.581 1.00 0.00 H +ATOM 155 HZ1 LYS A 8 -5.589 -9.789 -3.756 1.00 0.00 H +ATOM 156 HZ2 LYS A 8 -4.937 -10.327 -2.348 1.00 0.00 H +ATOM 157 HZ3 LYS A 8 -6.525 -10.610 -2.677 1.00 0.00 H +ATOM 158 N ASP A 9 -0.939 -5.531 -1.526 1.00 0.00 N +ATOM 159 CA ASP A 9 0.321 -6.020 -2.093 1.00 0.00 C +ATOM 160 C ASP A 9 1.283 -6.607 -1.037 1.00 0.00 C +ATOM 161 O ASP A 9 2.139 -7.419 -1.377 1.00 0.00 O +ATOM 162 CB ASP A 9 0.989 -4.858 -2.850 1.00 0.00 C +ATOM 163 CG ASP A 9 1.796 -5.335 -4.057 1.00 0.00 C +ATOM 164 OD1 ASP A 9 1.163 -5.904 -4.975 1.00 0.00 O +ATOM 165 OD2 ASP A 9 3.019 -5.073 -4.070 1.00 0.00 O +ATOM 166 H ASP A 9 -1.118 -4.533 -1.538 1.00 0.00 H +ATOM 167 HA ASP A 9 0.090 -6.813 -2.809 1.00 0.00 H +ATOM 168 HB2 ASP A 9 0.226 -4.185 -3.190 1.00 0.00 H +ATOM 169 HB3 ASP A 9 1.629 -4.297 -2.165 1.00 0.00 H +ATOM 170 N GLY A 10 1.133 -6.217 0.240 1.00 0.00 N +ATOM 171 CA GLY A 10 2.010 -6.592 1.355 1.00 0.00 C +ATOM 172 C GLY A 10 2.573 -5.411 2.161 1.00 0.00 C +ATOM 173 O GLY A 10 3.398 -5.625 3.054 1.00 0.00 O +ATOM 174 H GLY A 10 0.303 -5.675 0.461 1.00 0.00 H +ATOM 175 HA2 GLY A 10 1.445 -7.224 2.039 1.00 0.00 H +ATOM 176 HA3 GLY A 10 2.855 -7.173 0.983 1.00 0.00 H +ATOM 177 N GLY A 11 2.155 -4.169 1.875 1.00 0.00 N +ATOM 178 CA GLY A 11 2.637 -2.966 2.554 1.00 0.00 C +ATOM 179 C GLY A 11 4.173 -2.844 2.510 1.00 0.00 C +ATOM 180 O GLY A 11 4.743 -2.864 1.419 1.00 0.00 O +ATOM 181 H GLY A 11 1.499 -4.036 1.112 1.00 0.00 H +ATOM 182 HA2 GLY A 11 2.212 -2.097 2.057 1.00 0.00 H +ATOM 183 HA3 GLY A 11 2.276 -2.984 3.579 1.00 0.00 H +ATOM 184 N PRO A 12 4.876 -2.729 3.659 1.00 0.00 N +ATOM 185 CA PRO A 12 6.341 -2.693 3.687 1.00 0.00 C +ATOM 186 C PRO A 12 7.005 -3.929 3.062 1.00 0.00 C +ATOM 187 O PRO A 12 8.095 -3.815 2.504 1.00 0.00 O +ATOM 188 CB PRO A 12 6.736 -2.568 5.165 1.00 0.00 C +ATOM 189 CG PRO A 12 5.479 -2.037 5.847 1.00 0.00 C +ATOM 190 CD PRO A 12 4.350 -2.640 5.013 1.00 0.00 C +ATOM 191 HA PRO A 12 6.678 -1.805 3.152 1.00 0.00 H +ATOM 192 HB2 PRO A 12 7.012 -3.524 5.567 1.00 0.00 H +ATOM 193 HB3 PRO A 12 7.579 -1.889 5.296 1.00 0.00 H +ATOM 194 HG2 PRO A 12 5.424 -2.369 6.866 1.00 0.00 H +ATOM 195 HG3 PRO A 12 5.453 -0.949 5.767 1.00 0.00 H +ATOM 196 HD2 PRO A 12 4.091 -3.614 5.380 1.00 0.00 H +ATOM 197 HD3 PRO A 12 3.468 -2.003 5.070 1.00 0.00 H +ATOM 198 N SER A 13 6.350 -5.101 3.114 1.00 0.00 N +ATOM 199 CA SER A 13 6.894 -6.348 2.558 1.00 0.00 C +ATOM 200 C SER A 13 7.064 -6.302 1.037 1.00 0.00 C +ATOM 201 O SER A 13 7.806 -7.118 0.493 1.00 0.00 O +ATOM 202 CB SER A 13 5.994 -7.536 2.906 1.00 0.00 C +ATOM 203 OG SER A 13 6.670 -8.733 2.580 1.00 0.00 O +ATOM 204 H SER A 13 5.406 -5.120 3.489 1.00 0.00 H +ATOM 205 HA SER A 13 7.875 -6.522 3.002 1.00 0.00 H +ATOM 206 HB2 SER A 13 5.770 -7.523 3.955 1.00 0.00 H +ATOM 207 HB3 SER A 13 5.068 -7.474 2.335 1.00 0.00 H +ATOM 208 HG SER A 13 7.095 -8.611 1.716 1.00 0.00 H +ATOM 209 N SER A 14 6.380 -5.370 0.366 1.00 0.00 N +ATOM 210 CA SER A 14 6.436 -5.119 -1.073 1.00 0.00 C +ATOM 211 C SER A 14 7.612 -4.213 -1.472 1.00 0.00 C +ATOM 212 O SER A 14 7.787 -3.922 -2.655 1.00 0.00 O +ATOM 213 CB SER A 14 5.135 -4.433 -1.522 1.00 0.00 C +ATOM 214 OG SER A 14 4.021 -4.846 -0.754 1.00 0.00 O +ATOM 215 H SER A 14 5.700 -4.806 0.866 1.00 0.00 H +ATOM 216 HA SER A 14 6.525 -6.070 -1.599 1.00 0.00 H +ATOM 217 HB2 SER A 14 5.251 -3.371 -1.420 1.00 0.00 H +ATOM 218 HB3 SER A 14 4.963 -4.657 -2.575 1.00 0.00 H +ATOM 219 HG SER A 14 3.267 -4.316 -1.024 1.00 0.00 H +ATOM 220 N GLY A 15 8.377 -3.685 -0.506 1.00 0.00 N +ATOM 221 CA GLY A 15 9.506 -2.771 -0.715 1.00 0.00 C +ATOM 222 C GLY A 15 9.108 -1.335 -1.091 1.00 0.00 C +ATOM 223 O GLY A 15 9.766 -0.389 -0.660 1.00 0.00 O +ATOM 224 H GLY A 15 8.157 -3.928 0.457 1.00 0.00 H +ATOM 225 HA2 GLY A 15 10.096 -2.732 0.199 1.00 0.00 H +ATOM 226 HA3 GLY A 15 10.140 -3.166 -1.510 1.00 0.00 H +ATOM 227 N ARG A 16 8.034 -1.153 -1.871 1.00 0.00 N +ATOM 228 CA ARG A 16 7.469 0.154 -2.234 1.00 0.00 C +ATOM 229 C ARG A 16 6.973 0.913 -0.978 1.00 0.00 C +ATOM 230 O ARG A 16 6.211 0.332 -0.200 1.00 0.00 O +ATOM 231 CB ARG A 16 6.320 -0.061 -3.236 1.00 0.00 C +ATOM 232 CG ARG A 16 5.701 1.259 -3.728 1.00 0.00 C +ATOM 233 CD ARG A 16 4.282 1.081 -4.280 1.00 0.00 C +ATOM 234 NE ARG A 16 3.436 2.223 -3.888 1.00 0.00 N +ATOM 235 CZ ARG A 16 2.113 2.270 -3.848 1.00 0.00 C +ATOM 236 NH1 ARG A 16 1.365 1.261 -4.236 1.00 0.00 N +ATOM 237 NH2 ARG A 16 1.519 3.348 -3.396 1.00 0.00 N +ATOM 238 H ARG A 16 7.609 -2.003 -2.232 1.00 0.00 H +ATOM 239 HA ARG A 16 8.260 0.723 -2.719 1.00 0.00 H +ATOM 240 HB2 ARG A 16 6.701 -0.598 -4.084 1.00 0.00 H +ATOM 241 HB3 ARG A 16 5.552 -0.663 -2.744 1.00 0.00 H +ATOM 242 HG2 ARG A 16 5.665 1.948 -2.906 1.00 0.00 H +ATOM 243 HG3 ARG A 16 6.342 1.711 -4.487 1.00 0.00 H +ATOM 244 HD2 ARG A 16 4.323 1.021 -5.351 1.00 0.00 H +ATOM 245 HD3 ARG A 16 3.851 0.165 -3.875 1.00 0.00 H +ATOM 246 HE ARG A 16 3.920 3.015 -3.494 1.00 0.00 H +ATOM 247 HH11 ARG A 16 1.821 0.446 -4.608 1.00 0.00 H +ATOM 248 HH12 ARG A 16 0.362 1.295 -4.201 1.00 0.00 H +ATOM 249 HH21 ARG A 16 2.072 4.122 -3.070 1.00 0.00 H +ATOM 250 HH22 ARG A 16 0.518 3.399 -3.384 1.00 0.00 H +ATOM 251 N PRO A 17 7.293 2.215 -0.808 1.00 0.00 N +ATOM 252 CA PRO A 17 6.771 3.037 0.288 1.00 0.00 C +ATOM 253 C PRO A 17 5.246 3.279 0.193 1.00 0.00 C +ATOM 254 O PRO A 17 4.657 3.102 -0.882 1.00 0.00 O +ATOM 255 CB PRO A 17 7.554 4.355 0.201 1.00 0.00 C +ATOM 256 CG PRO A 17 7.898 4.468 -1.280 1.00 0.00 C +ATOM 257 CD PRO A 17 8.151 3.015 -1.674 1.00 0.00 C +ATOM 258 HA PRO A 17 6.993 2.548 1.239 1.00 0.00 H +ATOM 259 HB2 PRO A 17 6.949 5.182 0.518 1.00 0.00 H +ATOM 260 HB3 PRO A 17 8.473 4.272 0.782 1.00 0.00 H +ATOM 261 HG2 PRO A 17 7.081 4.884 -1.837 1.00 0.00 H +ATOM 262 HG3 PRO A 17 8.774 5.093 -1.450 1.00 0.00 H +ATOM 263 HD2 PRO A 17 7.895 2.857 -2.704 1.00 0.00 H +ATOM 264 HD3 PRO A 17 9.194 2.757 -1.486 1.00 0.00 H +ATOM 265 N PRO A 18 4.597 3.714 1.294 1.00 0.00 N +ATOM 266 CA PRO A 18 3.162 3.983 1.317 1.00 0.00 C +ATOM 267 C PRO A 18 2.768 5.182 0.431 1.00 0.00 C +ATOM 268 O PRO A 18 3.608 6.024 0.114 1.00 0.00 O +ATOM 269 CB PRO A 18 2.811 4.228 2.790 1.00 0.00 C +ATOM 270 CG PRO A 18 4.117 4.740 3.389 1.00 0.00 C +ATOM 271 CD PRO A 18 5.176 3.963 2.610 1.00 0.00 C +ATOM 272 HA PRO A 18 2.635 3.096 0.970 1.00 0.00 H +ATOM 273 HB2 PRO A 18 2.034 4.962 2.882 1.00 0.00 H +ATOM 274 HB3 PRO A 18 2.539 3.285 3.264 1.00 0.00 H +ATOM 275 HG2 PRO A 18 4.224 5.797 3.237 1.00 0.00 H +ATOM 276 HG3 PRO A 18 4.178 4.547 4.461 1.00 0.00 H +ATOM 277 HD2 PRO A 18 6.074 4.543 2.520 1.00 0.00 H +ATOM 278 HD3 PRO A 18 5.373 3.011 3.105 1.00 0.00 H +ATOM 279 N PRO A 19 1.485 5.278 0.026 1.00 0.00 N +ATOM 280 CA PRO A 19 0.982 6.372 -0.808 1.00 0.00 C +ATOM 281 C PRO A 19 0.682 7.673 -0.045 1.00 0.00 C +ATOM 282 O PRO A 19 0.626 8.727 -0.675 1.00 0.00 O +ATOM 283 CB PRO A 19 -0.302 5.824 -1.426 1.00 0.00 C +ATOM 284 CG PRO A 19 -0.825 4.851 -0.371 1.00 0.00 C +ATOM 285 CD PRO A 19 0.452 4.272 0.229 1.00 0.00 C +ATOM 286 HA PRO A 19 1.699 6.601 -1.599 1.00 0.00 H +ATOM 287 HB2 PRO A 19 -1.008 6.612 -1.603 1.00 0.00 H +ATOM 288 HB3 PRO A 19 -0.052 5.278 -2.333 1.00 0.00 H +ATOM 289 HG2 PRO A 19 -1.402 5.364 0.374 1.00 0.00 H +ATOM 290 HG3 PRO A 19 -1.440 4.069 -0.815 1.00 0.00 H +ATOM 291 HD2 PRO A 19 0.318 4.081 1.276 1.00 0.00 H +ATOM 292 HD3 PRO A 19 0.728 3.363 -0.309 1.00 0.00 H +ATOM 293 N SER A 20 0.482 7.598 1.276 1.00 0.00 N +ATOM 294 CA SER A 20 0.266 8.724 2.196 1.00 0.00 C +ATOM 295 C SER A 20 1.329 8.752 3.288 1.00 0.00 C +ATOM 296 O SER A 20 1.742 7.644 3.706 1.00 0.00 O +ATOM 297 CB SER A 20 -1.141 8.690 2.805 1.00 0.00 C +ATOM 298 OG SER A 20 -1.374 7.496 3.524 1.00 0.00 O +ATOM 299 OXT SER A 20 1.652 9.878 3.716 1.00 0.00 O +ATOM 300 H SER A 20 0.581 6.704 1.731 1.00 0.00 H +ATOM 301 HA SER A 20 0.368 9.660 1.645 1.00 0.00 H +ATOM 302 HB2 SER A 20 -1.251 9.524 3.471 1.00 0.00 H +ATOM 303 HB3 SER A 20 -1.884 8.784 2.011 1.00 0.00 H +ATOM 304 HG SER A 20 -0.759 7.480 4.268 1.00 0.00 H +TER 305 SER A 20 +ENDMDL +MODEL 21 +ATOM 1 N ASN A 1 -8.205 5.399 0.404 1.00 0.00 N +ATOM 2 CA ASN A 1 -8.421 4.425 -0.695 1.00 0.00 C +ATOM 3 C ASN A 1 -7.126 3.775 -1.163 1.00 0.00 C +ATOM 4 O ASN A 1 -6.987 2.568 -1.004 1.00 0.00 O +ATOM 5 CB ASN A 1 -9.214 5.043 -1.856 1.00 0.00 C +ATOM 6 CG ASN A 1 -10.664 5.161 -1.424 1.00 0.00 C +ATOM 7 OD1 ASN A 1 -10.997 6.047 -0.655 1.00 0.00 O +ATOM 8 ND2 ASN A 1 -11.516 4.226 -1.803 1.00 0.00 N +ATOM 9 H1 ASN A 1 -7.624 4.992 1.125 1.00 0.00 H +ATOM 10 H2 ASN A 1 -7.759 6.235 0.050 1.00 0.00 H +ATOM 11 H3 ASN A 1 -9.098 5.664 0.802 1.00 0.00 H +ATOM 12 HA ASN A 1 -9.021 3.603 -0.300 1.00 0.00 H +ATOM 13 HB2 ASN A 1 -8.823 6.015 -2.087 1.00 0.00 H +ATOM 14 HB3 ASN A 1 -9.147 4.412 -2.743 1.00 0.00 H +ATOM 15 HD21 ASN A 1 -11.263 3.457 -2.402 1.00 0.00 H +ATOM 16 HD22 ASN A 1 -12.463 4.349 -1.476 1.00 0.00 H +ATOM 17 N LEU A 2 -6.172 4.549 -1.692 1.00 0.00 N +ATOM 18 CA LEU A 2 -4.889 4.051 -2.203 1.00 0.00 C +ATOM 19 C LEU A 2 -4.114 3.184 -1.190 1.00 0.00 C +ATOM 20 O LEU A 2 -3.509 2.181 -1.570 1.00 0.00 O +ATOM 21 CB LEU A 2 -4.073 5.277 -2.655 1.00 0.00 C +ATOM 22 CG LEU A 2 -4.033 5.475 -4.183 1.00 0.00 C +ATOM 23 CD1 LEU A 2 -4.073 6.965 -4.529 1.00 0.00 C +ATOM 24 CD2 LEU A 2 -2.762 4.845 -4.764 1.00 0.00 C +ATOM 25 H LEU A 2 -6.330 5.538 -1.816 1.00 0.00 H +ATOM 26 HA LEU A 2 -5.081 3.408 -3.065 1.00 0.00 H +ATOM 27 HB2 LEU A 2 -4.507 6.153 -2.213 1.00 0.00 H +ATOM 28 HB3 LEU A 2 -3.055 5.173 -2.305 1.00 0.00 H +ATOM 29 HG LEU A 2 -4.900 4.998 -4.643 1.00 0.00 H +ATOM 30 HD11 LEU A 2 -5.100 7.324 -4.467 1.00 0.00 H +ATOM 31 HD12 LEU A 2 -3.450 7.536 -3.839 1.00 0.00 H +ATOM 32 HD13 LEU A 2 -3.711 7.128 -5.545 1.00 0.00 H +ATOM 33 HD21 LEU A 2 -1.884 5.386 -4.413 1.00 0.00 H +ATOM 34 HD22 LEU A 2 -2.688 3.801 -4.461 1.00 0.00 H +ATOM 35 HD23 LEU A 2 -2.792 4.898 -5.853 1.00 0.00 H +ATOM 36 N TYR A 3 -4.187 3.525 0.103 1.00 0.00 N +ATOM 37 CA TYR A 3 -3.556 2.775 1.192 1.00 0.00 C +ATOM 38 C TYR A 3 -4.000 1.305 1.250 1.00 0.00 C +ATOM 39 O TYR A 3 -3.195 0.429 1.563 1.00 0.00 O +ATOM 40 CB TYR A 3 -3.840 3.474 2.532 1.00 0.00 C +ATOM 41 CG TYR A 3 -2.641 3.483 3.456 1.00 0.00 C +ATOM 42 CD1 TYR A 3 -2.318 2.335 4.203 1.00 0.00 C +ATOM 43 CD2 TYR A 3 -1.834 4.634 3.549 1.00 0.00 C +ATOM 44 CE1 TYR A 3 -1.190 2.334 5.043 1.00 0.00 C +ATOM 45 CE2 TYR A 3 -0.712 4.643 4.398 1.00 0.00 C +ATOM 46 CZ TYR A 3 -0.385 3.488 5.143 1.00 0.00 C +ATOM 47 OH TYR A 3 0.689 3.483 5.975 1.00 0.00 O +ATOM 48 H TYR A 3 -4.659 4.384 0.331 1.00 0.00 H +ATOM 49 HA TYR A 3 -2.477 2.787 1.022 1.00 0.00 H +ATOM 50 HB2 TYR A 3 -4.128 4.489 2.335 1.00 0.00 H +ATOM 51 HB3 TYR A 3 -4.675 2.981 3.036 1.00 0.00 H +ATOM 52 HD1 TYR A 3 -2.934 1.451 4.126 1.00 0.00 H +ATOM 53 HD2 TYR A 3 -2.071 5.516 2.968 1.00 0.00 H +ATOM 54 HE1 TYR A 3 -0.931 1.461 5.624 1.00 0.00 H +ATOM 55 HE2 TYR A 3 -0.096 5.527 4.474 1.00 0.00 H +ATOM 56 HH TYR A 3 0.536 4.026 6.750 1.00 0.00 H +ATOM 57 N ILE A 4 -5.268 1.027 0.907 1.00 0.00 N +ATOM 58 CA ILE A 4 -5.809 -0.333 0.842 1.00 0.00 C +ATOM 59 C ILE A 4 -5.065 -1.132 -0.228 1.00 0.00 C +ATOM 60 O ILE A 4 -4.619 -2.244 0.044 1.00 0.00 O +ATOM 61 CB ILE A 4 -7.333 -0.322 0.572 1.00 0.00 C +ATOM 62 CG1 ILE A 4 -8.130 0.602 1.523 1.00 0.00 C +ATOM 63 CG2 ILE A 4 -7.912 -1.748 0.626 1.00 0.00 C +ATOM 64 CD1 ILE A 4 -7.837 0.419 3.019 1.00 0.00 C +ATOM 65 H ILE A 4 -5.853 1.783 0.573 1.00 0.00 H +ATOM 66 HA ILE A 4 -5.628 -0.825 1.798 1.00 0.00 H +ATOM 67 HB ILE A 4 -7.498 0.045 -0.442 1.00 0.00 H +ATOM 68 HG12 ILE A 4 -7.904 1.618 1.263 1.00 0.00 H +ATOM 69 HG13 ILE A 4 -9.195 0.439 1.352 1.00 0.00 H +ATOM 70 HG21 ILE A 4 -7.438 -2.382 -0.123 1.00 0.00 H +ATOM 71 HG22 ILE A 4 -7.755 -2.190 1.610 1.00 0.00 H +ATOM 72 HG23 ILE A 4 -8.983 -1.721 0.418 1.00 0.00 H +ATOM 73 HD11 ILE A 4 -7.575 -0.614 3.246 1.00 0.00 H +ATOM 74 HD12 ILE A 4 -7.012 1.067 3.316 1.00 0.00 H +ATOM 75 HD13 ILE A 4 -8.722 0.689 3.595 1.00 0.00 H +ATOM 76 N GLN A 5 -4.894 -0.554 -1.425 1.00 0.00 N +ATOM 77 CA GLN A 5 -4.180 -1.182 -2.538 1.00 0.00 C +ATOM 78 C GLN A 5 -2.711 -1.453 -2.172 1.00 0.00 C +ATOM 79 O GLN A 5 -2.211 -2.547 -2.418 1.00 0.00 O +ATOM 80 CB GLN A 5 -4.321 -0.301 -3.794 1.00 0.00 C +ATOM 81 CG GLN A 5 -4.173 -1.098 -5.104 1.00 0.00 C +ATOM 82 CD GLN A 5 -2.956 -0.675 -5.920 1.00 0.00 C +ATOM 83 OE1 GLN A 5 -1.933 -1.333 -5.943 1.00 0.00 O +ATOM 84 NE2 GLN A 5 -3.020 0.437 -6.629 1.00 0.00 N +ATOM 85 H GLN A 5 -5.218 0.396 -1.539 1.00 0.00 H +ATOM 86 HA GLN A 5 -4.656 -2.143 -2.729 1.00 0.00 H +ATOM 87 HB2 GLN A 5 -5.289 0.161 -3.782 1.00 0.00 H +ATOM 88 HB3 GLN A 5 -3.593 0.512 -3.762 1.00 0.00 H +ATOM 89 HG2 GLN A 5 -4.079 -2.139 -4.863 1.00 0.00 H +ATOM 90 HG3 GLN A 5 -5.066 -0.948 -5.712 1.00 0.00 H +ATOM 91 HE21 GLN A 5 -3.834 1.023 -6.661 1.00 0.00 H +ATOM 92 HE22 GLN A 5 -2.179 0.616 -7.149 1.00 0.00 H +ATOM 93 N TRP A 6 -2.050 -0.491 -1.510 1.00 0.00 N +ATOM 94 CA TRP A 6 -0.682 -0.649 -1.004 1.00 0.00 C +ATOM 95 C TRP A 6 -0.552 -1.777 0.033 1.00 0.00 C +ATOM 96 O TRP A 6 0.343 -2.619 -0.074 1.00 0.00 O +ATOM 97 CB TRP A 6 -0.195 0.683 -0.426 1.00 0.00 C +ATOM 98 CG TRP A 6 1.199 0.640 0.118 1.00 0.00 C +ATOM 99 CD1 TRP A 6 2.328 0.641 -0.626 1.00 0.00 C +ATOM 100 CD2 TRP A 6 1.638 0.542 1.510 1.00 0.00 C +ATOM 101 NE1 TRP A 6 3.424 0.533 0.208 1.00 0.00 N +ATOM 102 CE2 TRP A 6 3.060 0.471 1.527 1.00 0.00 C +ATOM 103 CE3 TRP A 6 0.987 0.512 2.761 1.00 0.00 C +ATOM 104 CZ2 TRP A 6 3.807 0.373 2.709 1.00 0.00 C +ATOM 105 CZ3 TRP A 6 1.723 0.410 3.959 1.00 0.00 C +ATOM 106 CH2 TRP A 6 3.128 0.343 3.936 1.00 0.00 C +ATOM 107 H TRP A 6 -2.536 0.387 -1.350 1.00 0.00 H +ATOM 108 HA TRP A 6 -0.035 -0.916 -1.840 1.00 0.00 H +ATOM 109 HB2 TRP A 6 -0.231 1.421 -1.204 1.00 0.00 H +ATOM 110 HB3 TRP A 6 -0.865 0.995 0.375 1.00 0.00 H +ATOM 111 HD1 TRP A 6 2.362 0.708 -1.706 1.00 0.00 H +ATOM 112 HE1 TRP A 6 4.401 0.535 -0.078 1.00 0.00 H +ATOM 113 HE3 TRP A 6 -0.088 0.583 2.787 1.00 0.00 H +ATOM 114 HZ2 TRP A 6 4.885 0.322 2.660 1.00 0.00 H +ATOM 115 HZ3 TRP A 6 1.210 0.395 4.909 1.00 0.00 H +ATOM 116 HH2 TRP A 6 3.683 0.276 4.862 1.00 0.00 H +ATOM 117 N LEU A 7 -1.451 -1.826 1.027 1.00 0.00 N +ATOM 118 CA LEU A 7 -1.482 -2.920 2.000 1.00 0.00 C +ATOM 119 C LEU A 7 -1.770 -4.274 1.337 1.00 0.00 C +ATOM 120 O LEU A 7 -1.172 -5.271 1.735 1.00 0.00 O +ATOM 121 CB LEU A 7 -2.494 -2.616 3.120 1.00 0.00 C +ATOM 122 CG LEU A 7 -2.022 -1.536 4.111 1.00 0.00 C +ATOM 123 CD1 LEU A 7 -3.153 -1.196 5.086 1.00 0.00 C +ATOM 124 CD2 LEU A 7 -0.804 -1.981 4.934 1.00 0.00 C +ATOM 125 H LEU A 7 -2.149 -1.086 1.092 1.00 0.00 H +ATOM 126 HA LEU A 7 -0.489 -3.014 2.435 1.00 0.00 H +ATOM 127 HB2 LEU A 7 -3.409 -2.283 2.668 1.00 0.00 H +ATOM 128 HB3 LEU A 7 -2.686 -3.532 3.681 1.00 0.00 H +ATOM 129 HG LEU A 7 -1.764 -0.633 3.565 1.00 0.00 H +ATOM 130 HD11 LEU A 7 -4.027 -0.854 4.530 1.00 0.00 H +ATOM 131 HD12 LEU A 7 -3.418 -2.076 5.672 1.00 0.00 H +ATOM 132 HD13 LEU A 7 -2.833 -0.402 5.761 1.00 0.00 H +ATOM 133 HD21 LEU A 7 -1.025 -2.912 5.456 1.00 0.00 H +ATOM 134 HD22 LEU A 7 0.060 -2.128 4.287 1.00 0.00 H +ATOM 135 HD23 LEU A 7 -0.552 -1.214 5.664 1.00 0.00 H +ATOM 136 N LYS A 8 -2.622 -4.312 0.302 1.00 0.00 N +ATOM 137 CA LYS A 8 -2.964 -5.533 -0.446 1.00 0.00 C +ATOM 138 C LYS A 8 -1.748 -6.215 -1.087 1.00 0.00 C +ATOM 139 O LYS A 8 -1.680 -7.440 -1.095 1.00 0.00 O +ATOM 140 CB LYS A 8 -4.040 -5.202 -1.495 1.00 0.00 C +ATOM 141 CG LYS A 8 -5.019 -6.365 -1.703 1.00 0.00 C +ATOM 142 CD LYS A 8 -6.311 -5.884 -2.382 1.00 0.00 C +ATOM 143 CE LYS A 8 -7.429 -6.917 -2.201 1.00 0.00 C +ATOM 144 NZ LYS A 8 -8.063 -6.804 -0.863 1.00 0.00 N +ATOM 145 H LYS A 8 -3.107 -3.448 0.065 1.00 0.00 H +ATOM 146 HA LYS A 8 -3.372 -6.243 0.275 1.00 0.00 H +ATOM 147 HB2 LYS A 8 -4.590 -4.341 -1.167 1.00 0.00 H +ATOM 148 HB3 LYS A 8 -3.577 -4.927 -2.444 1.00 0.00 H +ATOM 149 HG2 LYS A 8 -4.554 -7.109 -2.321 1.00 0.00 H +ATOM 150 HG3 LYS A 8 -5.268 -6.792 -0.732 1.00 0.00 H +ATOM 151 HD2 LYS A 8 -6.615 -4.953 -1.943 1.00 0.00 H +ATOM 152 HD3 LYS A 8 -6.116 -5.737 -3.446 1.00 0.00 H +ATOM 153 HE2 LYS A 8 -8.176 -6.759 -2.955 1.00 0.00 H +ATOM 154 HE3 LYS A 8 -6.998 -7.914 -2.334 1.00 0.00 H +ATOM 155 HZ1 LYS A 8 -7.353 -6.774 -0.143 1.00 0.00 H +ATOM 156 HZ2 LYS A 8 -8.612 -5.957 -0.808 1.00 0.00 H +ATOM 157 HZ3 LYS A 8 -8.670 -7.595 -0.691 1.00 0.00 H +ATOM 158 N ASP A 9 -0.774 -5.426 -1.557 1.00 0.00 N +ATOM 159 CA ASP A 9 0.530 -5.873 -2.078 1.00 0.00 C +ATOM 160 C ASP A 9 1.485 -6.399 -0.981 1.00 0.00 C +ATOM 161 O ASP A 9 2.573 -6.882 -1.301 1.00 0.00 O +ATOM 162 CB ASP A 9 1.212 -4.694 -2.814 1.00 0.00 C +ATOM 163 CG ASP A 9 1.583 -4.991 -4.272 1.00 0.00 C +ATOM 164 OD1 ASP A 9 0.662 -5.343 -5.038 1.00 0.00 O +ATOM 165 OD2 ASP A 9 2.782 -4.809 -4.612 1.00 0.00 O +ATOM 166 H ASP A 9 -0.962 -4.430 -1.556 1.00 0.00 H +ATOM 167 HA ASP A 9 0.358 -6.689 -2.785 1.00 0.00 H +ATOM 168 HB2 ASP A 9 0.541 -3.857 -2.802 1.00 0.00 H +ATOM 169 HB3 ASP A 9 2.121 -4.414 -2.279 1.00 0.00 H +ATOM 170 N GLY A 10 1.125 -6.270 0.304 1.00 0.00 N +ATOM 171 CA GLY A 10 1.936 -6.685 1.451 1.00 0.00 C +ATOM 172 C GLY A 10 2.565 -5.530 2.237 1.00 0.00 C +ATOM 173 O GLY A 10 3.424 -5.778 3.084 1.00 0.00 O +ATOM 174 H GLY A 10 0.211 -5.877 0.508 1.00 0.00 H +ATOM 175 HA2 GLY A 10 1.298 -7.243 2.136 1.00 0.00 H +ATOM 176 HA3 GLY A 10 2.735 -7.352 1.125 1.00 0.00 H +ATOM 177 N GLY A 11 2.184 -4.272 1.973 1.00 0.00 N +ATOM 178 CA GLY A 11 2.732 -3.116 2.683 1.00 0.00 C +ATOM 179 C GLY A 11 4.265 -3.035 2.545 1.00 0.00 C +ATOM 180 O GLY A 11 4.771 -3.134 1.422 1.00 0.00 O +ATOM 181 H GLY A 11 1.507 -4.103 1.237 1.00 0.00 H +ATOM 182 HA2 GLY A 11 2.296 -2.204 2.279 1.00 0.00 H +ATOM 183 HA3 GLY A 11 2.443 -3.201 3.729 1.00 0.00 H +ATOM 184 N PRO A 12 5.029 -2.881 3.651 1.00 0.00 N +ATOM 185 CA PRO A 12 6.491 -2.829 3.600 1.00 0.00 C +ATOM 186 C PRO A 12 7.138 -4.072 2.966 1.00 0.00 C +ATOM 187 O PRO A 12 8.211 -3.949 2.375 1.00 0.00 O +ATOM 188 CB PRO A 12 6.970 -2.642 5.048 1.00 0.00 C +ATOM 189 CG PRO A 12 5.734 -2.162 5.806 1.00 0.00 C +ATOM 190 CD PRO A 12 4.578 -2.795 5.033 1.00 0.00 C +ATOM 191 HA PRO A 12 6.783 -1.953 3.019 1.00 0.00 H +ATOM 192 HB2 PRO A 12 7.325 -3.570 5.452 1.00 0.00 H +ATOM 193 HB3 PRO A 12 7.775 -1.907 5.107 1.00 0.00 H +ATOM 194 HG2 PRO A 12 5.750 -2.505 6.823 1.00 0.00 H +ATOM 195 HG3 PRO A 12 5.663 -1.077 5.744 1.00 0.00 H +ATOM 196 HD2 PRO A 12 4.362 -3.773 5.418 1.00 0.00 H +ATOM 197 HD3 PRO A 12 3.684 -2.179 5.140 1.00 0.00 H +ATOM 198 N SER A 13 6.492 -5.249 3.030 1.00 0.00 N +ATOM 199 CA SER A 13 7.032 -6.510 2.502 1.00 0.00 C +ATOM 200 C SER A 13 7.252 -6.475 0.991 1.00 0.00 C +ATOM 201 O SER A 13 8.198 -7.085 0.501 1.00 0.00 O +ATOM 202 CB SER A 13 6.085 -7.675 2.806 1.00 0.00 C +ATOM 203 OG SER A 13 5.872 -7.807 4.197 1.00 0.00 O +ATOM 204 H SER A 13 5.578 -5.299 3.472 1.00 0.00 H +ATOM 205 HA SER A 13 7.994 -6.707 2.977 1.00 0.00 H +ATOM 206 HB2 SER A 13 5.144 -7.497 2.322 1.00 0.00 H +ATOM 207 HB3 SER A 13 6.513 -8.600 2.417 1.00 0.00 H +ATOM 208 HG SER A 13 6.506 -8.436 4.551 1.00 0.00 H +ATOM 209 N SER A 14 6.398 -5.751 0.257 1.00 0.00 N +ATOM 210 CA SER A 14 6.540 -5.569 -1.189 1.00 0.00 C +ATOM 211 C SER A 14 7.723 -4.673 -1.582 1.00 0.00 C +ATOM 212 O SER A 14 8.110 -4.660 -2.750 1.00 0.00 O +ATOM 213 CB SER A 14 5.248 -4.986 -1.771 1.00 0.00 C +ATOM 214 OG SER A 14 4.583 -5.979 -2.515 1.00 0.00 O +ATOM 215 H SER A 14 5.654 -5.262 0.743 1.00 0.00 H +ATOM 216 HA SER A 14 6.710 -6.543 -1.651 1.00 0.00 H +ATOM 217 HB2 SER A 14 4.614 -4.652 -0.972 1.00 0.00 H +ATOM 218 HB3 SER A 14 5.507 -4.180 -2.451 1.00 0.00 H +ATOM 219 HG SER A 14 3.809 -6.342 -2.003 1.00 0.00 H +ATOM 220 N GLY A 15 8.298 -3.917 -0.635 1.00 0.00 N +ATOM 221 CA GLY A 15 9.467 -3.068 -0.877 1.00 0.00 C +ATOM 222 C GLY A 15 9.130 -1.720 -1.522 1.00 0.00 C +ATOM 223 O GLY A 15 9.898 -1.231 -2.349 1.00 0.00 O +ATOM 224 H GLY A 15 7.970 -4.008 0.322 1.00 0.00 H +ATOM 225 HA2 GLY A 15 9.963 -2.879 0.074 1.00 0.00 H +ATOM 226 HA3 GLY A 15 10.166 -3.596 -1.527 1.00 0.00 H +ATOM 227 N ARG A 16 7.986 -1.120 -1.164 1.00 0.00 N +ATOM 228 CA ARG A 16 7.493 0.155 -1.712 1.00 0.00 C +ATOM 229 C ARG A 16 6.893 1.052 -0.617 1.00 0.00 C +ATOM 230 O ARG A 16 6.228 0.526 0.276 1.00 0.00 O +ATOM 231 CB ARG A 16 6.486 -0.108 -2.852 1.00 0.00 C +ATOM 232 CG ARG A 16 5.371 -1.121 -2.515 1.00 0.00 C +ATOM 233 CD ARG A 16 4.390 -1.352 -3.682 1.00 0.00 C +ATOM 234 NE ARG A 16 4.505 -2.695 -4.282 1.00 0.00 N +ATOM 235 CZ ARG A 16 5.417 -3.159 -5.117 1.00 0.00 C +ATOM 236 NH1 ARG A 16 6.381 -2.403 -5.595 1.00 0.00 N +ATOM 237 NH2 ARG A 16 5.336 -4.410 -5.482 1.00 0.00 N +ATOM 238 H ARG A 16 7.428 -1.572 -0.451 1.00 0.00 H +ATOM 239 HA ARG A 16 8.348 0.677 -2.139 1.00 0.00 H +ATOM 240 HB2 ARG A 16 6.022 0.825 -3.109 1.00 0.00 H +ATOM 241 HB3 ARG A 16 7.046 -0.475 -3.709 1.00 0.00 H +ATOM 242 HG2 ARG A 16 5.827 -2.059 -2.261 1.00 0.00 H +ATOM 243 HG3 ARG A 16 4.805 -0.751 -1.666 1.00 0.00 H +ATOM 244 HD2 ARG A 16 3.389 -1.227 -3.316 1.00 0.00 H +ATOM 245 HD3 ARG A 16 4.531 -0.590 -4.449 1.00 0.00 H +ATOM 246 HE ARG A 16 3.776 -3.394 -4.104 1.00 0.00 H +ATOM 247 HH11 ARG A 16 6.393 -1.440 -5.320 1.00 0.00 H +ATOM 248 HH12 ARG A 16 7.062 -2.775 -6.231 1.00 0.00 H +ATOM 249 HH21 ARG A 16 4.489 -4.903 -5.147 1.00 0.00 H +ATOM 250 HH22 ARG A 16 6.023 -4.858 -6.055 1.00 0.00 H +ATOM 251 N PRO A 17 7.075 2.387 -0.684 1.00 0.00 N +ATOM 252 CA PRO A 17 6.538 3.322 0.308 1.00 0.00 C +ATOM 253 C PRO A 17 5.011 3.481 0.186 1.00 0.00 C +ATOM 254 O PRO A 17 4.452 3.191 -0.874 1.00 0.00 O +ATOM 255 CB PRO A 17 7.258 4.647 0.031 1.00 0.00 C +ATOM 256 CG PRO A 17 7.545 4.595 -1.468 1.00 0.00 C +ATOM 257 CD PRO A 17 7.782 3.109 -1.733 1.00 0.00 C +ATOM 258 HA PRO A 17 6.789 2.972 1.310 1.00 0.00 H +ATOM 259 HB2 PRO A 17 6.629 5.482 0.272 1.00 0.00 H +ATOM 260 HB3 PRO A 17 8.199 4.671 0.582 1.00 0.00 H +ATOM 261 HG2 PRO A 17 6.707 4.957 -2.032 1.00 0.00 H +ATOM 262 HG3 PRO A 17 8.418 5.192 -1.732 1.00 0.00 H +ATOM 263 HD2 PRO A 17 7.395 2.837 -2.696 1.00 0.00 H +ATOM 264 HD3 PRO A 17 8.849 2.890 -1.670 1.00 0.00 H +ATOM 265 N PRO A 18 4.330 3.962 1.245 1.00 0.00 N +ATOM 266 CA PRO A 18 2.890 4.179 1.221 1.00 0.00 C +ATOM 267 C PRO A 18 2.501 5.385 0.341 1.00 0.00 C +ATOM 268 O PRO A 18 3.270 6.342 0.211 1.00 0.00 O +ATOM 269 CB PRO A 18 2.483 4.404 2.680 1.00 0.00 C +ATOM 270 CG PRO A 18 3.743 4.989 3.313 1.00 0.00 C +ATOM 271 CD PRO A 18 4.873 4.294 2.554 1.00 0.00 C +ATOM 272 HA PRO A 18 2.410 3.277 0.849 1.00 0.00 H +ATOM 273 HB2 PRO A 18 1.664 5.093 2.748 1.00 0.00 H +ATOM 274 HB3 PRO A 18 2.248 3.446 3.144 1.00 0.00 H +ATOM 275 HG2 PRO A 18 3.784 6.052 3.175 1.00 0.00 H +ATOM 276 HG3 PRO A 18 3.788 4.783 4.383 1.00 0.00 H +ATOM 277 HD2 PRO A 18 5.715 4.952 2.453 1.00 0.00 H +ATOM 278 HD3 PRO A 18 5.153 3.376 3.072 1.00 0.00 H +ATOM 279 N PRO A 19 1.280 5.377 -0.223 1.00 0.00 N +ATOM 280 CA PRO A 19 0.762 6.450 -1.060 1.00 0.00 C +ATOM 281 C PRO A 19 0.382 7.663 -0.198 1.00 0.00 C +ATOM 282 O PRO A 19 -0.624 7.631 0.512 1.00 0.00 O +ATOM 283 CB PRO A 19 -0.435 5.840 -1.790 1.00 0.00 C +ATOM 284 CG PRO A 19 -0.951 4.783 -0.812 1.00 0.00 C +ATOM 285 CD PRO A 19 0.299 4.311 -0.088 1.00 0.00 C +ATOM 286 HA PRO A 19 1.508 6.751 -1.796 1.00 0.00 H +ATOM 287 HB2 PRO A 19 -1.185 6.582 -1.983 1.00 0.00 H +ATOM 288 HB3 PRO A 19 -0.088 5.348 -2.699 1.00 0.00 H +ATOM 289 HG2 PRO A 19 -1.652 5.211 -0.122 1.00 0.00 H +ATOM 290 HG3 PRO A 19 -1.423 3.952 -1.333 1.00 0.00 H +ATOM 291 HD2 PRO A 19 0.083 4.134 0.948 1.00 0.00 H +ATOM 292 HD3 PRO A 19 0.683 3.414 -0.572 1.00 0.00 H +ATOM 293 N SER A 20 1.217 8.708 -0.251 1.00 0.00 N +ATOM 294 CA SER A 20 0.998 10.004 0.410 1.00 0.00 C +ATOM 295 C SER A 20 0.315 10.992 -0.534 1.00 0.00 C +ATOM 296 O SER A 20 0.887 11.215 -1.624 1.00 0.00 O +ATOM 297 CB SER A 20 2.322 10.595 0.894 1.00 0.00 C +ATOM 298 OG SER A 20 2.966 9.680 1.760 1.00 0.00 O +ATOM 299 OXT SER A 20 -0.750 11.510 -0.139 1.00 0.00 O +ATOM 300 H SER A 20 1.987 8.656 -0.900 1.00 0.00 H +ATOM 301 HA SER A 20 0.337 9.875 1.267 1.00 0.00 H +ATOM 302 HB2 SER A 20 2.954 10.792 0.050 1.00 0.00 H +ATOM 303 HB3 SER A 20 2.127 11.529 1.425 1.00 0.00 H +ATOM 304 HG SER A 20 3.007 8.832 1.306 1.00 0.00 H +TER 305 SER A 20 +ENDMDL +MODEL 22 +ATOM 1 N ASN A 1 -7.147 6.420 -0.321 1.00 0.00 N +ATOM 2 CA ASN A 1 -7.735 5.239 -1.002 1.00 0.00 C +ATOM 3 C ASN A 1 -6.654 4.233 -1.423 1.00 0.00 C +ATOM 4 O ASN A 1 -6.828 3.043 -1.189 1.00 0.00 O +ATOM 5 CB ASN A 1 -8.631 5.670 -2.180 1.00 0.00 C +ATOM 6 CG ASN A 1 -7.791 6.178 -3.342 1.00 0.00 C +ATOM 7 OD1 ASN A 1 -6.938 7.030 -3.134 1.00 0.00 O +ATOM 8 ND2 ASN A 1 -7.925 5.610 -4.527 1.00 0.00 N +ATOM 9 H1 ASN A 1 -6.444 6.132 0.344 1.00 0.00 H +ATOM 10 H2 ASN A 1 -6.730 7.032 -1.016 1.00 0.00 H +ATOM 11 H3 ASN A 1 -7.869 6.934 0.166 1.00 0.00 H +ATOM 12 HA ASN A 1 -8.365 4.712 -0.285 1.00 0.00 H +ATOM 13 HB2 ASN A 1 -9.211 4.828 -2.507 1.00 0.00 H +ATOM 14 HB3 ASN A 1 -9.301 6.470 -1.860 1.00 0.00 H +ATOM 15 HD21 ASN A 1 -8.593 4.875 -4.704 1.00 0.00 H +ATOM 16 HD22 ASN A 1 -7.334 5.964 -5.263 1.00 0.00 H +ATOM 17 N LEU A 2 -5.522 4.698 -1.980 1.00 0.00 N +ATOM 18 CA LEU A 2 -4.409 3.863 -2.457 1.00 0.00 C +ATOM 19 C LEU A 2 -3.793 2.972 -1.363 1.00 0.00 C +ATOM 20 O LEU A 2 -3.233 1.920 -1.669 1.00 0.00 O +ATOM 21 CB LEU A 2 -3.326 4.784 -3.046 1.00 0.00 C +ATOM 22 CG LEU A 2 -3.749 5.553 -4.315 1.00 0.00 C +ATOM 23 CD1 LEU A 2 -2.850 6.776 -4.507 1.00 0.00 C +ATOM 24 CD2 LEU A 2 -3.680 4.665 -5.559 1.00 0.00 C +ATOM 25 H LEU A 2 -5.460 5.679 -2.226 1.00 0.00 H +ATOM 26 HA LEU A 2 -4.775 3.199 -3.243 1.00 0.00 H +ATOM 27 HB2 LEU A 2 -3.054 5.502 -2.296 1.00 0.00 H +ATOM 28 HB3 LEU A 2 -2.440 4.192 -3.280 1.00 0.00 H +ATOM 29 HG LEU A 2 -4.770 5.913 -4.203 1.00 0.00 H +ATOM 30 HD11 LEU A 2 -2.889 7.409 -3.621 1.00 0.00 H +ATOM 31 HD12 LEU A 2 -1.821 6.467 -4.687 1.00 0.00 H +ATOM 32 HD13 LEU A 2 -3.206 7.360 -5.357 1.00 0.00 H +ATOM 33 HD21 LEU A 2 -2.700 4.193 -5.633 1.00 0.00 H +ATOM 34 HD22 LEU A 2 -4.449 3.893 -5.510 1.00 0.00 H +ATOM 35 HD23 LEU A 2 -3.847 5.268 -6.452 1.00 0.00 H +ATOM 36 N TYR A 3 -3.931 3.366 -0.089 1.00 0.00 N +ATOM 37 CA TYR A 3 -3.447 2.623 1.074 1.00 0.00 C +ATOM 38 C TYR A 3 -3.964 1.180 1.109 1.00 0.00 C +ATOM 39 O TYR A 3 -3.229 0.272 1.491 1.00 0.00 O +ATOM 40 CB TYR A 3 -3.837 3.358 2.368 1.00 0.00 C +ATOM 41 CG TYR A 3 -2.695 3.445 3.358 1.00 0.00 C +ATOM 42 CD1 TYR A 3 -2.319 2.321 4.114 1.00 0.00 C +ATOM 43 CD2 TYR A 3 -1.990 4.653 3.499 1.00 0.00 C +ATOM 44 CE1 TYR A 3 -1.242 2.408 5.016 1.00 0.00 C +ATOM 45 CE2 TYR A 3 -0.914 4.751 4.400 1.00 0.00 C +ATOM 46 CZ TYR A 3 -0.539 3.622 5.162 1.00 0.00 C +ATOM 47 OH TYR A 3 0.485 3.702 6.054 1.00 0.00 O +ATOM 48 H TYR A 3 -4.371 4.256 0.070 1.00 0.00 H +ATOM 49 HA TYR A 3 -2.359 2.584 1.015 1.00 0.00 H +ATOM 50 HB2 TYR A 3 -4.150 4.353 2.117 1.00 0.00 H +ATOM 51 HB3 TYR A 3 -4.678 2.850 2.844 1.00 0.00 H +ATOM 52 HD1 TYR A 3 -2.858 1.392 4.001 1.00 0.00 H +ATOM 53 HD2 TYR A 3 -2.289 5.504 2.906 1.00 0.00 H +ATOM 54 HE1 TYR A 3 -0.942 1.554 5.604 1.00 0.00 H +ATOM 55 HE2 TYR A 3 -0.364 5.678 4.516 1.00 0.00 H +ATOM 56 HH TYR A 3 0.190 4.071 6.890 1.00 0.00 H +ATOM 57 N ILE A 4 -5.213 0.963 0.670 1.00 0.00 N +ATOM 58 CA ILE A 4 -5.823 -0.366 0.587 1.00 0.00 C +ATOM 59 C ILE A 4 -5.035 -1.235 -0.401 1.00 0.00 C +ATOM 60 O ILE A 4 -4.639 -2.349 -0.066 1.00 0.00 O +ATOM 61 CB ILE A 4 -7.315 -0.267 0.189 1.00 0.00 C +ATOM 62 CG1 ILE A 4 -8.131 0.588 1.186 1.00 0.00 C +ATOM 63 CG2 ILE A 4 -7.906 -1.688 0.098 1.00 0.00 C +ATOM 64 CD1 ILE A 4 -9.426 1.134 0.567 1.00 0.00 C +ATOM 65 H ILE A 4 -5.742 1.753 0.322 1.00 0.00 H +ATOM 66 HA ILE A 4 -5.754 -0.841 1.568 1.00 0.00 H +ATOM 67 HB ILE A 4 -7.380 0.200 -0.796 1.00 0.00 H +ATOM 68 HG12 ILE A 4 -8.384 -0.019 2.034 1.00 0.00 H +ATOM 69 HG13 ILE A 4 -7.554 1.453 1.513 1.00 0.00 H +ATOM 70 HG21 ILE A 4 -7.613 -2.155 -0.842 1.00 0.00 H +ATOM 71 HG22 ILE A 4 -7.546 -2.302 0.925 1.00 0.00 H +ATOM 72 HG23 ILE A 4 -8.995 -1.665 0.139 1.00 0.00 H +ATOM 73 HD11 ILE A 4 -9.186 1.834 -0.233 1.00 0.00 H +ATOM 74 HD12 ILE A 4 -10.035 0.325 0.163 1.00 0.00 H +ATOM 75 HD13 ILE A 4 -10.000 1.657 1.332 1.00 0.00 H +ATOM 76 N GLN A 5 -4.770 -0.707 -1.602 1.00 0.00 N +ATOM 77 CA GLN A 5 -4.004 -1.401 -2.634 1.00 0.00 C +ATOM 78 C GLN A 5 -2.557 -1.659 -2.193 1.00 0.00 C +ATOM 79 O GLN A 5 -2.034 -2.749 -2.416 1.00 0.00 O +ATOM 80 CB GLN A 5 -4.064 -0.600 -3.951 1.00 0.00 C +ATOM 81 CG GLN A 5 -4.101 -1.517 -5.182 1.00 0.00 C +ATOM 82 CD GLN A 5 -5.437 -2.250 -5.294 1.00 0.00 C +ATOM 83 OE1 GLN A 5 -6.433 -1.708 -5.744 1.00 0.00 O +ATOM 84 NE2 GLN A 5 -5.519 -3.495 -4.863 1.00 0.00 N +ATOM 85 H GLN A 5 -5.062 0.244 -1.779 1.00 0.00 H +ATOM 86 HA GLN A 5 -4.475 -2.372 -2.776 1.00 0.00 H +ATOM 87 HB2 GLN A 5 -4.948 0.009 -3.946 1.00 0.00 H +ATOM 88 HB3 GLN A 5 -3.195 0.059 -4.019 1.00 0.00 H +ATOM 89 HG2 GLN A 5 -3.954 -0.923 -6.064 1.00 0.00 H +ATOM 90 HG3 GLN A 5 -3.280 -2.234 -5.138 1.00 0.00 H +ATOM 91 HE21 GLN A 5 -4.727 -3.993 -4.495 1.00 0.00 H +ATOM 92 HE22 GLN A 5 -6.432 -3.902 -4.971 1.00 0.00 H +ATOM 93 N TRP A 6 -1.937 -0.681 -1.518 1.00 0.00 N +ATOM 94 CA TRP A 6 -0.600 -0.811 -0.937 1.00 0.00 C +ATOM 95 C TRP A 6 -0.532 -1.917 0.130 1.00 0.00 C +ATOM 96 O TRP A 6 0.363 -2.764 0.091 1.00 0.00 O +ATOM 97 CB TRP A 6 -0.164 0.545 -0.369 1.00 0.00 C +ATOM 98 CG TRP A 6 1.216 0.547 0.205 1.00 0.00 C +ATOM 99 CD1 TRP A 6 2.366 0.594 -0.508 1.00 0.00 C +ATOM 100 CD2 TRP A 6 1.619 0.456 1.606 1.00 0.00 C +ATOM 101 NE1 TRP A 6 3.444 0.504 0.353 1.00 0.00 N +ATOM 102 CE2 TRP A 6 3.043 0.441 1.664 1.00 0.00 C +ATOM 103 CE3 TRP A 6 0.931 0.375 2.834 1.00 0.00 C +ATOM 104 CZ2 TRP A 6 3.753 0.369 2.869 1.00 0.00 C +ATOM 105 CZ3 TRP A 6 1.631 0.287 4.054 1.00 0.00 C +ATOM 106 CH2 TRP A 6 3.038 0.291 4.074 1.00 0.00 C +ATOM 107 H TRP A 6 -2.437 0.199 -1.406 1.00 0.00 H +ATOM 108 HA TRP A 6 0.095 -1.089 -1.730 1.00 0.00 H +ATOM 109 HB2 TRP A 6 -0.202 1.270 -1.159 1.00 0.00 H +ATOM 110 HB3 TRP A 6 -0.861 0.845 0.413 1.00 0.00 H +ATOM 111 HD1 TRP A 6 2.421 0.666 -1.584 1.00 0.00 H +ATOM 112 HE1 TRP A 6 4.427 0.496 0.079 1.00 0.00 H +ATOM 113 HE3 TRP A 6 -0.148 0.387 2.825 1.00 0.00 H +ATOM 114 HZ2 TRP A 6 4.834 0.356 2.853 1.00 0.00 H +ATOM 115 HZ3 TRP A 6 1.088 0.221 4.984 1.00 0.00 H +ATOM 116 HH2 TRP A 6 3.566 0.226 5.014 1.00 0.00 H +ATOM 117 N LEU A 7 -1.493 -1.950 1.062 1.00 0.00 N +ATOM 118 CA LEU A 7 -1.591 -3.020 2.054 1.00 0.00 C +ATOM 119 C LEU A 7 -1.887 -4.379 1.416 1.00 0.00 C +ATOM 120 O LEU A 7 -1.332 -5.379 1.867 1.00 0.00 O +ATOM 121 CB LEU A 7 -2.648 -2.680 3.119 1.00 0.00 C +ATOM 122 CG LEU A 7 -2.204 -1.596 4.116 1.00 0.00 C +ATOM 123 CD1 LEU A 7 -3.353 -1.276 5.075 1.00 0.00 C +ATOM 124 CD2 LEU A 7 -0.992 -2.019 4.955 1.00 0.00 C +ATOM 125 H LEU A 7 -2.199 -1.215 1.063 1.00 0.00 H +ATOM 126 HA LEU A 7 -0.619 -3.132 2.532 1.00 0.00 H +ATOM 127 HB2 LEU A 7 -3.533 -2.337 2.619 1.00 0.00 H +ATOM 128 HB3 LEU A 7 -2.884 -3.585 3.682 1.00 0.00 H +ATOM 129 HG LEU A 7 -1.950 -0.690 3.572 1.00 0.00 H +ATOM 130 HD11 LEU A 7 -4.247 -1.017 4.508 1.00 0.00 H +ATOM 131 HD12 LEU A 7 -3.565 -2.140 5.705 1.00 0.00 H +ATOM 132 HD13 LEU A 7 -3.079 -0.432 5.708 1.00 0.00 H +ATOM 133 HD21 LEU A 7 -1.200 -2.960 5.466 1.00 0.00 H +ATOM 134 HD22 LEU A 7 -0.115 -2.141 4.324 1.00 0.00 H +ATOM 135 HD23 LEU A 7 -0.770 -1.251 5.695 1.00 0.00 H +ATOM 136 N LYS A 8 -2.704 -4.425 0.351 1.00 0.00 N +ATOM 137 CA LYS A 8 -3.024 -5.667 -0.363 1.00 0.00 C +ATOM 138 C LYS A 8 -1.783 -6.379 -0.902 1.00 0.00 C +ATOM 139 O LYS A 8 -1.714 -7.603 -0.824 1.00 0.00 O +ATOM 140 CB LYS A 8 -4.029 -5.384 -1.498 1.00 0.00 C +ATOM 141 CG LYS A 8 -4.718 -6.666 -1.991 1.00 0.00 C +ATOM 142 CD LYS A 8 -5.727 -7.192 -0.954 1.00 0.00 C +ATOM 143 CE LYS A 8 -5.697 -8.722 -0.865 1.00 0.00 C +ATOM 144 NZ LYS A 8 -6.010 -9.184 0.509 1.00 0.00 N +ATOM 145 H LYS A 8 -3.166 -3.563 0.071 1.00 0.00 H +ATOM 146 HA LYS A 8 -3.461 -6.347 0.365 1.00 0.00 H +ATOM 147 HB2 LYS A 8 -4.778 -4.706 -1.137 1.00 0.00 H +ATOM 148 HB3 LYS A 8 -3.501 -4.924 -2.335 1.00 0.00 H +ATOM 149 HG2 LYS A 8 -5.236 -6.455 -2.907 1.00 0.00 H +ATOM 150 HG3 LYS A 8 -3.961 -7.422 -2.206 1.00 0.00 H +ATOM 151 HD2 LYS A 8 -5.484 -6.782 0.007 1.00 0.00 H +ATOM 152 HD3 LYS A 8 -6.729 -6.861 -1.233 1.00 0.00 H +ATOM 153 HE2 LYS A 8 -6.422 -9.127 -1.544 1.00 0.00 H +ATOM 154 HE3 LYS A 8 -4.703 -9.081 -1.147 1.00 0.00 H +ATOM 155 HZ1 LYS A 8 -5.172 -9.166 1.076 1.00 0.00 H +ATOM 156 HZ2 LYS A 8 -6.699 -8.578 0.933 1.00 0.00 H +ATOM 157 HZ3 LYS A 8 -6.369 -10.130 0.493 1.00 0.00 H +ATOM 158 N ASP A 9 -0.814 -5.616 -1.411 1.00 0.00 N +ATOM 159 CA ASP A 9 0.466 -6.130 -1.902 1.00 0.00 C +ATOM 160 C ASP A 9 1.395 -6.627 -0.772 1.00 0.00 C +ATOM 161 O ASP A 9 2.377 -7.317 -1.041 1.00 0.00 O +ATOM 162 CB ASP A 9 1.145 -5.018 -2.722 1.00 0.00 C +ATOM 163 CG ASP A 9 2.033 -5.572 -3.840 1.00 0.00 C +ATOM 164 OD1 ASP A 9 3.217 -5.858 -3.563 1.00 0.00 O +ATOM 165 OD2 ASP A 9 1.516 -5.670 -4.975 1.00 0.00 O +ATOM 166 H ASP A 9 -0.985 -4.619 -1.475 1.00 0.00 H +ATOM 167 HA ASP A 9 0.267 -6.973 -2.567 1.00 0.00 H +ATOM 168 HB2 ASP A 9 0.385 -4.401 -3.160 1.00 0.00 H +ATOM 169 HB3 ASP A 9 1.730 -4.377 -2.062 1.00 0.00 H +ATOM 170 N GLY A 10 1.124 -6.267 0.493 1.00 0.00 N +ATOM 171 CA GLY A 10 1.948 -6.626 1.656 1.00 0.00 C +ATOM 172 C GLY A 10 2.533 -5.439 2.437 1.00 0.00 C +ATOM 173 O GLY A 10 3.358 -5.653 3.329 1.00 0.00 O +ATOM 174 H GLY A 10 0.279 -5.730 0.656 1.00 0.00 H +ATOM 175 HA2 GLY A 10 1.331 -7.206 2.341 1.00 0.00 H +ATOM 176 HA3 GLY A 10 2.781 -7.257 1.345 1.00 0.00 H +ATOM 177 N GLY A 11 2.128 -4.200 2.126 1.00 0.00 N +ATOM 178 CA GLY A 11 2.561 -2.998 2.829 1.00 0.00 C +ATOM 179 C GLY A 11 4.092 -2.817 2.806 1.00 0.00 C +ATOM 180 O GLY A 11 4.667 -2.692 1.724 1.00 0.00 O +ATOM 181 H GLY A 11 1.538 -4.070 1.311 1.00 0.00 H +ATOM 182 HA2 GLY A 11 2.108 -2.134 2.348 1.00 0.00 H +ATOM 183 HA3 GLY A 11 2.187 -3.048 3.848 1.00 0.00 H +ATOM 184 N PRO A 12 4.785 -2.805 3.967 1.00 0.00 N +ATOM 185 CA PRO A 12 6.246 -2.706 4.011 1.00 0.00 C +ATOM 186 C PRO A 12 6.976 -3.836 3.263 1.00 0.00 C +ATOM 187 O PRO A 12 8.113 -3.645 2.838 1.00 0.00 O +ATOM 188 CB PRO A 12 6.631 -2.710 5.496 1.00 0.00 C +ATOM 189 CG PRO A 12 5.341 -2.359 6.233 1.00 0.00 C +ATOM 190 CD PRO A 12 4.243 -2.888 5.316 1.00 0.00 C +ATOM 191 HA PRO A 12 6.540 -1.751 3.570 1.00 0.00 H +ATOM 192 HB2 PRO A 12 6.984 -3.679 5.793 1.00 0.00 H +ATOM 193 HB3 PRO A 12 7.415 -1.982 5.705 1.00 0.00 H +ATOM 194 HG2 PRO A 12 5.305 -2.841 7.191 1.00 0.00 H +ATOM 195 HG3 PRO A 12 5.252 -1.274 6.318 1.00 0.00 H +ATOM 196 HD2 PRO A 12 4.007 -3.905 5.563 1.00 0.00 H +ATOM 197 HD3 PRO A 12 3.346 -2.281 5.435 1.00 0.00 H +ATOM 198 N SER A 13 6.332 -4.997 3.071 1.00 0.00 N +ATOM 199 CA SER A 13 6.911 -6.174 2.405 1.00 0.00 C +ATOM 200 C SER A 13 6.618 -6.217 0.896 1.00 0.00 C +ATOM 201 O SER A 13 6.579 -7.294 0.305 1.00 0.00 O +ATOM 202 CB SER A 13 6.458 -7.466 3.098 1.00 0.00 C +ATOM 203 OG SER A 13 6.899 -7.491 4.441 1.00 0.00 O +ATOM 204 H SER A 13 5.358 -5.057 3.358 1.00 0.00 H +ATOM 205 HA SER A 13 7.997 -6.129 2.500 1.00 0.00 H +ATOM 206 HB2 SER A 13 5.387 -7.520 3.078 1.00 0.00 H +ATOM 207 HB3 SER A 13 6.893 -8.322 2.581 1.00 0.00 H +ATOM 208 HG SER A 13 6.357 -6.887 4.951 1.00 0.00 H +ATOM 209 N SER A 14 6.432 -5.052 0.265 1.00 0.00 N +ATOM 210 CA SER A 14 6.076 -4.919 -1.157 1.00 0.00 C +ATOM 211 C SER A 14 7.132 -4.174 -1.984 1.00 0.00 C +ATOM 212 O SER A 14 6.929 -3.921 -3.169 1.00 0.00 O +ATOM 213 CB SER A 14 4.715 -4.232 -1.266 1.00 0.00 C +ATOM 214 OG SER A 14 3.775 -4.945 -0.496 1.00 0.00 O +ATOM 215 H SER A 14 6.365 -4.227 0.848 1.00 0.00 H +ATOM 216 HA SER A 14 5.970 -5.909 -1.604 1.00 0.00 H +ATOM 217 HB2 SER A 14 4.790 -3.226 -0.900 1.00 0.00 H +ATOM 218 HB3 SER A 14 4.396 -4.200 -2.306 1.00 0.00 H +ATOM 219 HG SER A 14 3.597 -5.804 -0.924 1.00 0.00 H +ATOM 220 N GLY A 15 8.259 -3.794 -1.363 1.00 0.00 N +ATOM 221 CA GLY A 15 9.337 -3.046 -2.017 1.00 0.00 C +ATOM 222 C GLY A 15 8.945 -1.615 -2.403 1.00 0.00 C +ATOM 223 O GLY A 15 9.471 -1.083 -3.379 1.00 0.00 O +ATOM 224 H GLY A 15 8.370 -4.078 -0.400 1.00 0.00 H +ATOM 225 HA2 GLY A 15 10.194 -2.991 -1.346 1.00 0.00 H +ATOM 226 HA3 GLY A 15 9.646 -3.574 -2.921 1.00 0.00 H +ATOM 227 N ARG A 16 8.005 -1.001 -1.666 1.00 0.00 N +ATOM 228 CA ARG A 16 7.468 0.335 -1.947 1.00 0.00 C +ATOM 229 C ARG A 16 6.939 1.037 -0.683 1.00 0.00 C +ATOM 230 O ARG A 16 6.297 0.382 0.141 1.00 0.00 O +ATOM 231 CB ARG A 16 6.363 0.241 -3.014 1.00 0.00 C +ATOM 232 CG ARG A 16 5.268 -0.802 -2.713 1.00 0.00 C +ATOM 233 CD ARG A 16 4.161 -0.846 -3.770 1.00 0.00 C +ATOM 234 NE ARG A 16 4.681 -1.237 -5.095 1.00 0.00 N +ATOM 235 CZ ARG A 16 5.016 -0.436 -6.099 1.00 0.00 C +ATOM 236 NH1 ARG A 16 4.910 0.871 -6.014 1.00 0.00 N +ATOM 237 NH2 ARG A 16 5.479 -0.936 -7.220 1.00 0.00 N +ATOM 238 H ARG A 16 7.638 -1.499 -0.867 1.00 0.00 H +ATOM 239 HA ARG A 16 8.282 0.927 -2.362 1.00 0.00 H +ATOM 240 HB2 ARG A 16 5.895 1.203 -3.097 1.00 0.00 H +ATOM 241 HB3 ARG A 16 6.844 -0.019 -3.959 1.00 0.00 H +ATOM 242 HG2 ARG A 16 5.727 -1.771 -2.660 1.00 0.00 H +ATOM 243 HG3 ARG A 16 4.810 -0.587 -1.750 1.00 0.00 H +ATOM 244 HD2 ARG A 16 3.418 -1.558 -3.465 1.00 0.00 H +ATOM 245 HD3 ARG A 16 3.662 0.123 -3.814 1.00 0.00 H +ATOM 246 HE ARG A 16 4.831 -2.228 -5.227 1.00 0.00 H +ATOM 247 HH11 ARG A 16 4.571 1.257 -5.151 1.00 0.00 H +ATOM 248 HH12 ARG A 16 5.171 1.470 -6.773 1.00 0.00 H +ATOM 249 HH21 ARG A 16 5.580 -1.932 -7.319 1.00 0.00 H +ATOM 250 HH22 ARG A 16 5.740 -0.329 -7.975 1.00 0.00 H +ATOM 251 N PRO A 17 7.146 2.361 -0.541 1.00 0.00 N +ATOM 252 CA PRO A 17 6.642 3.137 0.592 1.00 0.00 C +ATOM 253 C PRO A 17 5.117 3.361 0.511 1.00 0.00 C +ATOM 254 O PRO A 17 4.532 3.158 -0.557 1.00 0.00 O +ATOM 255 CB PRO A 17 7.416 4.460 0.520 1.00 0.00 C +ATOM 256 CG PRO A 17 7.671 4.652 -0.972 1.00 0.00 C +ATOM 257 CD PRO A 17 7.829 3.228 -1.493 1.00 0.00 C +ATOM 258 HA PRO A 17 6.878 2.623 1.524 1.00 0.00 H +ATOM 259 HB2 PRO A 17 6.830 5.268 0.915 1.00 0.00 H +ATOM 260 HB3 PRO A 17 8.368 4.346 1.042 1.00 0.00 H +ATOM 261 HG2 PRO A 17 6.841 5.143 -1.443 1.00 0.00 H +ATOM 262 HG3 PRO A 17 8.569 5.244 -1.152 1.00 0.00 H +ATOM 263 HD2 PRO A 17 7.382 3.137 -2.464 1.00 0.00 H +ATOM 264 HD3 PRO A 17 8.886 2.963 -1.532 1.00 0.00 H +ATOM 265 N PRO A 18 4.468 3.790 1.613 1.00 0.00 N +ATOM 266 CA PRO A 18 3.035 4.076 1.629 1.00 0.00 C +ATOM 267 C PRO A 18 2.678 5.275 0.730 1.00 0.00 C +ATOM 268 O PRO A 18 3.501 6.177 0.557 1.00 0.00 O +ATOM 269 CB PRO A 18 2.681 4.342 3.098 1.00 0.00 C +ATOM 270 CG PRO A 18 3.998 4.812 3.711 1.00 0.00 C +ATOM 271 CD PRO A 18 5.049 4.030 2.928 1.00 0.00 C +ATOM 272 HA PRO A 18 2.502 3.188 1.294 1.00 0.00 H +ATOM 273 HB2 PRO A 18 1.929 5.103 3.178 1.00 0.00 H +ATOM 274 HB3 PRO A 18 2.369 3.411 3.573 1.00 0.00 H +ATOM 275 HG2 PRO A 18 4.128 5.869 3.579 1.00 0.00 H +ATOM 276 HG3 PRO A 18 4.048 4.597 4.778 1.00 0.00 H +ATOM 277 HD2 PRO A 18 5.952 4.603 2.839 1.00 0.00 H +ATOM 278 HD3 PRO A 18 5.240 3.074 3.417 1.00 0.00 H +ATOM 279 N PRO A 19 1.456 5.312 0.158 1.00 0.00 N +ATOM 280 CA PRO A 19 1.020 6.389 -0.730 1.00 0.00 C +ATOM 281 C PRO A 19 0.573 7.658 0.014 1.00 0.00 C +ATOM 282 O PRO A 19 0.781 8.756 -0.501 1.00 0.00 O +ATOM 283 CB PRO A 19 -0.147 5.799 -1.525 1.00 0.00 C +ATOM 284 CG PRO A 19 -0.739 4.750 -0.582 1.00 0.00 C +ATOM 285 CD PRO A 19 0.461 4.252 0.217 1.00 0.00 C +ATOM 286 HA PRO A 19 1.824 6.660 -1.417 1.00 0.00 H +ATOM 287 HB2 PRO A 19 -0.871 6.555 -1.758 1.00 0.00 H +ATOM 288 HB3 PRO A 19 0.235 5.311 -2.422 1.00 0.00 H +ATOM 289 HG2 PRO A 19 -1.472 5.190 0.066 1.00 0.00 H +ATOM 290 HG3 PRO A 19 -1.196 3.933 -1.136 1.00 0.00 H +ATOM 291 HD2 PRO A 19 0.178 4.064 1.235 1.00 0.00 H +ATOM 292 HD3 PRO A 19 0.863 3.356 -0.255 1.00 0.00 H +ATOM 293 N SER A 20 -0.071 7.506 1.180 1.00 0.00 N +ATOM 294 CA SER A 20 -0.495 8.598 2.070 1.00 0.00 C +ATOM 295 C SER A 20 0.609 8.944 3.064 1.00 0.00 C +ATOM 296 O SER A 20 0.894 10.155 3.181 1.00 0.00 O +ATOM 297 CB SER A 20 -1.736 8.215 2.879 1.00 0.00 C +ATOM 298 OG SER A 20 -2.830 7.879 2.044 1.00 0.00 O +ATOM 299 OXT SER A 20 1.084 7.996 3.730 1.00 0.00 O +ATOM 300 H SER A 20 -0.157 6.569 1.538 1.00 0.00 H +ATOM 301 HA SER A 20 -0.699 9.493 1.486 1.00 0.00 H +ATOM 302 HB2 SER A 20 -1.500 7.370 3.497 1.00 0.00 H +ATOM 303 HB3 SER A 20 -2.011 9.052 3.523 1.00 0.00 H +ATOM 304 HG SER A 20 -3.169 8.700 1.678 1.00 0.00 H +TER 305 SER A 20 +ENDMDL +MODEL 23 +ATOM 1 N ASN A 1 -8.995 5.512 -1.807 1.00 0.00 N +ATOM 2 CA ASN A 1 -8.139 5.500 -0.596 1.00 0.00 C +ATOM 3 C ASN A 1 -6.657 5.213 -0.847 1.00 0.00 C +ATOM 4 O ASN A 1 -5.857 5.704 -0.062 1.00 0.00 O +ATOM 5 CB ASN A 1 -8.684 4.564 0.498 1.00 0.00 C +ATOM 6 CG ASN A 1 -9.123 5.373 1.709 1.00 0.00 C +ATOM 7 OD1 ASN A 1 -10.305 5.507 1.971 1.00 0.00 O +ATOM 8 ND2 ASN A 1 -8.201 5.977 2.436 1.00 0.00 N +ATOM 9 H1 ASN A 1 -8.610 6.132 -2.507 1.00 0.00 H +ATOM 10 H2 ASN A 1 -9.086 4.582 -2.189 1.00 0.00 H +ATOM 11 H3 ASN A 1 -9.920 5.841 -1.561 1.00 0.00 H +ATOM 12 HA ASN A 1 -8.157 6.511 -0.184 1.00 0.00 H +ATOM 13 HB2 ASN A 1 -9.524 4.019 0.112 1.00 0.00 H +ATOM 14 HB3 ASN A 1 -7.920 3.855 0.818 1.00 0.00 H +ATOM 15 HD21 ASN A 1 -7.210 5.924 2.252 1.00 0.00 H +ATOM 16 HD22 ASN A 1 -8.568 6.492 3.222 1.00 0.00 H +ATOM 17 N LEU A 2 -6.287 4.419 -1.870 1.00 0.00 N +ATOM 18 CA LEU A 2 -4.918 3.992 -2.233 1.00 0.00 C +ATOM 19 C LEU A 2 -4.198 3.117 -1.189 1.00 0.00 C +ATOM 20 O LEU A 2 -3.649 2.074 -1.544 1.00 0.00 O +ATOM 21 CB LEU A 2 -4.033 5.181 -2.661 1.00 0.00 C +ATOM 22 CG LEU A 2 -4.577 5.992 -3.859 1.00 0.00 C +ATOM 23 CD1 LEU A 2 -5.182 7.328 -3.410 1.00 0.00 C +ATOM 24 CD2 LEU A 2 -3.464 6.283 -4.867 1.00 0.00 C +ATOM 25 H LEU A 2 -6.993 4.011 -2.461 1.00 0.00 H +ATOM 26 HA LEU A 2 -5.014 3.355 -3.115 1.00 0.00 H +ATOM 27 HB2 LEU A 2 -3.937 5.845 -1.824 1.00 0.00 H +ATOM 28 HB3 LEU A 2 -3.061 4.766 -2.935 1.00 0.00 H +ATOM 29 HG LEU A 2 -5.348 5.414 -4.371 1.00 0.00 H +ATOM 30 HD11 LEU A 2 -6.031 7.162 -2.754 1.00 0.00 H +ATOM 31 HD12 LEU A 2 -4.432 7.916 -2.879 1.00 0.00 H +ATOM 32 HD13 LEU A 2 -5.517 7.893 -4.282 1.00 0.00 H +ATOM 33 HD21 LEU A 2 -2.669 6.860 -4.395 1.00 0.00 H +ATOM 34 HD22 LEU A 2 -3.056 5.346 -5.245 1.00 0.00 H +ATOM 35 HD23 LEU A 2 -3.867 6.848 -5.709 1.00 0.00 H +ATOM 36 N TYR A 3 -4.220 3.498 0.091 1.00 0.00 N +ATOM 37 CA TYR A 3 -3.550 2.790 1.185 1.00 0.00 C +ATOM 38 C TYR A 3 -3.980 1.315 1.283 1.00 0.00 C +ATOM 39 O TYR A 3 -3.150 0.440 1.515 1.00 0.00 O +ATOM 40 CB TYR A 3 -3.809 3.544 2.496 1.00 0.00 C +ATOM 41 CG TYR A 3 -2.752 3.301 3.554 1.00 0.00 C +ATOM 42 CD1 TYR A 3 -2.869 2.215 4.443 1.00 0.00 C +ATOM 43 CD2 TYR A 3 -1.653 4.178 3.655 1.00 0.00 C +ATOM 44 CE1 TYR A 3 -1.899 2.018 5.443 1.00 0.00 C +ATOM 45 CE2 TYR A 3 -0.683 3.985 4.655 1.00 0.00 C +ATOM 46 CZ TYR A 3 -0.812 2.911 5.561 1.00 0.00 C +ATOM 47 OH TYR A 3 0.085 2.742 6.568 1.00 0.00 O +ATOM 48 H TYR A 3 -4.660 4.395 0.286 1.00 0.00 H +ATOM 49 HA TYR A 3 -2.478 2.809 0.991 1.00 0.00 H +ATOM 50 HB2 TYR A 3 -3.840 4.595 2.283 1.00 0.00 H +ATOM 51 HB3 TYR A 3 -4.790 3.270 2.890 1.00 0.00 H +ATOM 52 HD1 TYR A 3 -3.710 1.538 4.369 1.00 0.00 H +ATOM 53 HD2 TYR A 3 -1.555 5.018 2.982 1.00 0.00 H +ATOM 54 HE1 TYR A 3 -1.977 1.210 6.151 1.00 0.00 H +ATOM 55 HE2 TYR A 3 0.149 4.672 4.736 1.00 0.00 H +ATOM 56 HH TYR A 3 0.563 3.552 6.750 1.00 0.00 H +ATOM 57 N ILE A 4 -5.264 1.030 1.024 1.00 0.00 N +ATOM 58 CA ILE A 4 -5.827 -0.326 0.952 1.00 0.00 C +ATOM 59 C ILE A 4 -5.114 -1.151 -0.131 1.00 0.00 C +ATOM 60 O ILE A 4 -4.658 -2.257 0.147 1.00 0.00 O +ATOM 61 CB ILE A 4 -7.356 -0.272 0.705 1.00 0.00 C +ATOM 62 CG1 ILE A 4 -8.110 0.581 1.757 1.00 0.00 C +ATOM 63 CG2 ILE A 4 -7.947 -1.695 0.687 1.00 0.00 C +ATOM 64 CD1 ILE A 4 -9.451 1.106 1.228 1.00 0.00 C +ATOM 65 H ILE A 4 -5.870 1.816 0.855 1.00 0.00 H +ATOM 66 HA ILE A 4 -5.652 -0.820 1.909 1.00 0.00 H +ATOM 67 HB ILE A 4 -7.515 0.178 -0.278 1.00 0.00 H +ATOM 68 HG12 ILE A 4 -8.294 -0.024 2.624 1.00 0.00 H +ATOM 69 HG13 ILE A 4 -7.523 1.453 2.040 1.00 0.00 H +ATOM 70 HG21 ILE A 4 -7.530 -2.276 -0.135 1.00 0.00 H +ATOM 71 HG22 ILE A 4 -7.726 -2.202 1.628 1.00 0.00 H +ATOM 72 HG23 ILE A 4 -9.028 -1.659 0.555 1.00 0.00 H +ATOM 73 HD11 ILE A 4 -9.295 1.636 0.288 1.00 0.00 H +ATOM 74 HD12 ILE A 4 -10.147 0.285 1.062 1.00 0.00 H +ATOM 75 HD13 ILE A 4 -9.883 1.794 1.955 1.00 0.00 H +ATOM 76 N GLN A 5 -4.980 -0.613 -1.354 1.00 0.00 N +ATOM 77 CA GLN A 5 -4.248 -1.254 -2.452 1.00 0.00 C +ATOM 78 C GLN A 5 -2.764 -1.451 -2.115 1.00 0.00 C +ATOM 79 O GLN A 5 -2.210 -2.510 -2.406 1.00 0.00 O +ATOM 80 CB GLN A 5 -4.397 -0.444 -3.752 1.00 0.00 C +ATOM 81 CG GLN A 5 -5.780 -0.585 -4.421 1.00 0.00 C +ATOM 82 CD GLN A 5 -5.677 -1.049 -5.874 1.00 0.00 C +ATOM 83 OE1 GLN A 5 -4.908 -0.532 -6.667 1.00 0.00 O +ATOM 84 NE2 GLN A 5 -6.453 -2.034 -6.287 1.00 0.00 N +ATOM 85 H GLN A 5 -5.284 0.340 -1.486 1.00 0.00 H +ATOM 86 HA GLN A 5 -4.665 -2.247 -2.623 1.00 0.00 H +ATOM 87 HB2 GLN A 5 -4.235 0.592 -3.525 1.00 0.00 H +ATOM 88 HB3 GLN A 5 -3.627 -0.786 -4.446 1.00 0.00 H +ATOM 89 HG2 GLN A 5 -6.358 -1.301 -3.870 1.00 0.00 H +ATOM 90 HG3 GLN A 5 -6.280 0.383 -4.410 1.00 0.00 H +ATOM 91 HE21 GLN A 5 -7.135 -2.486 -5.703 1.00 0.00 H +ATOM 92 HE22 GLN A 5 -6.309 -2.278 -7.253 1.00 0.00 H +ATOM 93 N TRP A 6 -2.122 -0.471 -1.467 1.00 0.00 N +ATOM 94 CA TRP A 6 -0.752 -0.626 -0.970 1.00 0.00 C +ATOM 95 C TRP A 6 -0.626 -1.773 0.051 1.00 0.00 C +ATOM 96 O TRP A 6 0.275 -2.606 -0.073 1.00 0.00 O +ATOM 97 CB TRP A 6 -0.246 0.708 -0.409 1.00 0.00 C +ATOM 98 CG TRP A 6 1.122 0.638 0.187 1.00 0.00 C +ATOM 99 CD1 TRP A 6 2.283 0.580 -0.505 1.00 0.00 C +ATOM 100 CD2 TRP A 6 1.498 0.590 1.599 1.00 0.00 C +ATOM 101 NE1 TRP A 6 3.337 0.446 0.374 1.00 0.00 N +ATOM 102 CE2 TRP A 6 2.919 0.485 1.681 1.00 0.00 C +ATOM 103 CE3 TRP A 6 0.791 0.638 2.820 1.00 0.00 C +ATOM 104 CZ2 TRP A 6 3.609 0.442 2.898 1.00 0.00 C +ATOM 105 CZ3 TRP A 6 1.472 0.592 4.050 1.00 0.00 C +ATOM 106 CH2 TRP A 6 2.875 0.504 4.093 1.00 0.00 C +ATOM 107 H TRP A 6 -2.627 0.394 -1.292 1.00 0.00 H +ATOM 108 HA TRP A 6 -0.116 -0.900 -1.810 1.00 0.00 H +ATOM 109 HB2 TRP A 6 -0.230 1.425 -1.207 1.00 0.00 H +ATOM 110 HB3 TRP A 6 -0.932 1.060 0.358 1.00 0.00 H +ATOM 111 HD1 TRP A 6 2.377 0.619 -1.579 1.00 0.00 H +ATOM 112 HE1 TRP A 6 4.319 0.364 0.099 1.00 0.00 H +ATOM 113 HE3 TRP A 6 -0.286 0.722 2.803 1.00 0.00 H +ATOM 114 HZ2 TRP A 6 4.686 0.366 2.903 1.00 0.00 H +ATOM 115 HZ3 TRP A 6 0.916 0.637 4.976 1.00 0.00 H +ATOM 116 HH2 TRP A 6 3.385 0.485 5.046 1.00 0.00 H +ATOM 117 N LEU A 7 -1.546 -1.866 1.019 1.00 0.00 N +ATOM 118 CA LEU A 7 -1.600 -2.993 1.954 1.00 0.00 C +ATOM 119 C LEU A 7 -1.891 -4.331 1.257 1.00 0.00 C +ATOM 120 O LEU A 7 -1.258 -5.322 1.617 1.00 0.00 O +ATOM 121 CB LEU A 7 -2.629 -2.736 3.069 1.00 0.00 C +ATOM 122 CG LEU A 7 -2.255 -1.624 4.066 1.00 0.00 C +ATOM 123 CD1 LEU A 7 -3.410 -1.464 5.059 1.00 0.00 C +ATOM 124 CD2 LEU A 7 -0.975 -1.930 4.852 1.00 0.00 C +ATOM 125 H LEU A 7 -2.238 -1.124 1.101 1.00 0.00 H +ATOM 126 HA LEU A 7 -0.616 -3.103 2.408 1.00 0.00 H +ATOM 127 HB2 LEU A 7 -3.559 -2.467 2.606 1.00 0.00 H +ATOM 128 HB3 LEU A 7 -2.758 -3.662 3.632 1.00 0.00 H +ATOM 129 HG LEU A 7 -2.117 -0.684 3.539 1.00 0.00 H +ATOM 130 HD11 LEU A 7 -4.330 -1.232 4.522 1.00 0.00 H +ATOM 131 HD12 LEU A 7 -3.546 -2.384 5.627 1.00 0.00 H +ATOM 132 HD13 LEU A 7 -3.198 -0.653 5.753 1.00 0.00 H +ATOM 133 HD21 LEU A 7 -1.059 -2.897 5.349 1.00 0.00 H +ATOM 134 HD22 LEU A 7 -0.117 -1.940 4.182 1.00 0.00 H +ATOM 135 HD23 LEU A 7 -0.809 -1.154 5.600 1.00 0.00 H +ATOM 136 N LYS A 8 -2.780 -4.375 0.246 1.00 0.00 N +ATOM 137 CA LYS A 8 -3.068 -5.596 -0.534 1.00 0.00 C +ATOM 138 C LYS A 8 -1.816 -6.219 -1.151 1.00 0.00 C +ATOM 139 O LYS A 8 -1.740 -7.439 -1.237 1.00 0.00 O +ATOM 140 CB LYS A 8 -4.081 -5.335 -1.662 1.00 0.00 C +ATOM 141 CG LYS A 8 -5.498 -4.986 -1.175 1.00 0.00 C +ATOM 142 CD LYS A 8 -6.576 -5.917 -1.747 1.00 0.00 C +ATOM 143 CE LYS A 8 -6.443 -7.334 -1.176 1.00 0.00 C +ATOM 144 NZ LYS A 8 -7.563 -8.199 -1.611 1.00 0.00 N +ATOM 145 H LYS A 8 -3.304 -3.525 0.051 1.00 0.00 H +ATOM 146 HA LYS A 8 -3.475 -6.350 0.141 1.00 0.00 H +ATOM 147 HB2 LYS A 8 -3.719 -4.518 -2.256 1.00 0.00 H +ATOM 148 HB3 LYS A 8 -4.124 -6.228 -2.289 1.00 0.00 H +ATOM 149 HG2 LYS A 8 -5.519 -5.056 -0.105 1.00 0.00 H +ATOM 150 HG3 LYS A 8 -5.730 -3.973 -1.499 1.00 0.00 H +ATOM 151 HD2 LYS A 8 -7.544 -5.528 -1.496 1.00 0.00 H +ATOM 152 HD3 LYS A 8 -6.493 -5.943 -2.836 1.00 0.00 H +ATOM 153 HE2 LYS A 8 -5.519 -7.762 -1.515 1.00 0.00 H +ATOM 154 HE3 LYS A 8 -6.423 -7.269 -0.084 1.00 0.00 H +ATOM 155 HZ1 LYS A 8 -8.442 -7.832 -1.266 1.00 0.00 H +ATOM 156 HZ2 LYS A 8 -7.603 -8.242 -2.621 1.00 0.00 H +ATOM 157 HZ3 LYS A 8 -7.442 -9.138 -1.253 1.00 0.00 H +ATOM 158 N ASP A 9 -0.849 -5.393 -1.556 1.00 0.00 N +ATOM 159 CA ASP A 9 0.436 -5.853 -2.083 1.00 0.00 C +ATOM 160 C ASP A 9 1.332 -6.506 -1.009 1.00 0.00 C +ATOM 161 O ASP A 9 2.223 -7.275 -1.345 1.00 0.00 O +ATOM 162 CB ASP A 9 1.145 -4.662 -2.744 1.00 0.00 C +ATOM 163 CG ASP A 9 2.097 -5.123 -3.846 1.00 0.00 C +ATOM 164 OD1 ASP A 9 3.259 -5.441 -3.507 1.00 0.00 O +ATOM 165 OD2 ASP A 9 1.661 -5.116 -5.015 1.00 0.00 O +ATOM 166 H ASP A 9 -1.027 -4.396 -1.508 1.00 0.00 H +ATOM 167 HA ASP A 9 0.243 -6.603 -2.852 1.00 0.00 H +ATOM 168 HB2 ASP A 9 0.408 -4.009 -3.170 1.00 0.00 H +ATOM 169 HB3 ASP A 9 1.699 -4.094 -1.991 1.00 0.00 H +ATOM 170 N GLY A 10 1.085 -6.233 0.280 1.00 0.00 N +ATOM 171 CA GLY A 10 1.935 -6.630 1.406 1.00 0.00 C +ATOM 172 C GLY A 10 2.538 -5.448 2.178 1.00 0.00 C +ATOM 173 O GLY A 10 3.381 -5.658 3.052 1.00 0.00 O +ATOM 174 H GLY A 10 0.224 -5.740 0.500 1.00 0.00 H +ATOM 175 HA2 GLY A 10 1.338 -7.217 2.103 1.00 0.00 H +ATOM 176 HA3 GLY A 10 2.755 -7.257 1.056 1.00 0.00 H +ATOM 177 N GLY A 11 2.139 -4.205 1.865 1.00 0.00 N +ATOM 178 CA GLY A 11 2.660 -3.003 2.510 1.00 0.00 C +ATOM 179 C GLY A 11 4.193 -2.919 2.402 1.00 0.00 C +ATOM 180 O GLY A 11 4.722 -3.051 1.294 1.00 0.00 O +ATOM 181 H GLY A 11 1.481 -4.078 1.104 1.00 0.00 H +ATOM 182 HA2 GLY A 11 2.230 -2.129 2.025 1.00 0.00 H +ATOM 183 HA3 GLY A 11 2.339 -3.009 3.550 1.00 0.00 H +ATOM 184 N PRO A 12 4.936 -2.732 3.516 1.00 0.00 N +ATOM 185 CA PRO A 12 6.401 -2.697 3.498 1.00 0.00 C +ATOM 186 C PRO A 12 7.057 -3.980 2.962 1.00 0.00 C +ATOM 187 O PRO A 12 8.194 -3.921 2.498 1.00 0.00 O +ATOM 188 CB PRO A 12 6.843 -2.444 4.945 1.00 0.00 C +ATOM 189 CG PRO A 12 5.600 -1.887 5.633 1.00 0.00 C +ATOM 190 CD PRO A 12 4.459 -2.571 4.884 1.00 0.00 C +ATOM 191 HA PRO A 12 6.718 -1.858 2.877 1.00 0.00 H +ATOM 192 HB2 PRO A 12 7.157 -3.358 5.411 1.00 0.00 H +ATOM 193 HB3 PRO A 12 7.673 -1.736 4.990 1.00 0.00 H +ATOM 194 HG2 PRO A 12 5.587 -2.145 6.675 1.00 0.00 H +ATOM 195 HG3 PRO A 12 5.548 -0.809 5.478 1.00 0.00 H +ATOM 196 HD2 PRO A 12 4.243 -3.527 5.321 1.00 0.00 H +ATOM 197 HD3 PRO A 12 3.561 -1.958 4.940 1.00 0.00 H +ATOM 198 N SER A 13 6.364 -5.132 2.996 1.00 0.00 N +ATOM 199 CA SER A 13 6.922 -6.427 2.577 1.00 0.00 C +ATOM 200 C SER A 13 7.348 -6.452 1.106 1.00 0.00 C +ATOM 201 O SER A 13 8.273 -7.185 0.760 1.00 0.00 O +ATOM 202 CB SER A 13 5.902 -7.544 2.812 1.00 0.00 C +ATOM 203 OG SER A 13 6.513 -8.805 2.628 1.00 0.00 O +ATOM 204 H SER A 13 5.404 -5.115 3.326 1.00 0.00 H +ATOM 205 HA SER A 13 7.802 -6.636 3.185 1.00 0.00 H +ATOM 206 HB2 SER A 13 5.525 -7.475 3.814 1.00 0.00 H +ATOM 207 HB3 SER A 13 5.073 -7.436 2.110 1.00 0.00 H +ATOM 208 HG SER A 13 6.978 -8.809 1.779 1.00 0.00 H +ATOM 209 N SER A 14 6.688 -5.663 0.253 1.00 0.00 N +ATOM 210 CA SER A 14 7.033 -5.491 -1.164 1.00 0.00 C +ATOM 211 C SER A 14 8.036 -4.355 -1.407 1.00 0.00 C +ATOM 212 O SER A 14 8.270 -3.979 -2.556 1.00 0.00 O +ATOM 213 CB SER A 14 5.763 -5.217 -1.973 1.00 0.00 C +ATOM 214 OG SER A 14 4.936 -6.345 -2.040 1.00 0.00 O +ATOM 215 H SER A 14 5.903 -5.135 0.612 1.00 0.00 H +ATOM 216 HA SER A 14 7.475 -6.413 -1.545 1.00 0.00 H +ATOM 217 HB2 SER A 14 5.221 -4.416 -1.508 1.00 0.00 H +ATOM 218 HB3 SER A 14 6.026 -4.948 -2.995 1.00 0.00 H +ATOM 219 HG SER A 14 4.164 -6.059 -2.655 1.00 0.00 H +ATOM 220 N GLY A 15 8.590 -3.733 -0.358 1.00 0.00 N +ATOM 221 CA GLY A 15 9.577 -2.650 -0.433 1.00 0.00 C +ATOM 222 C GLY A 15 9.029 -1.291 -0.893 1.00 0.00 C +ATOM 223 O GLY A 15 9.565 -0.255 -0.498 1.00 0.00 O +ATOM 224 H GLY A 15 8.346 -4.054 0.578 1.00 0.00 H +ATOM 225 HA2 GLY A 15 10.022 -2.519 0.554 1.00 0.00 H +ATOM 226 HA3 GLY A 15 10.370 -2.944 -1.121 1.00 0.00 H +ATOM 227 N ARG A 16 7.961 -1.275 -1.702 1.00 0.00 N +ATOM 228 CA ARG A 16 7.253 -0.068 -2.152 1.00 0.00 C +ATOM 229 C ARG A 16 6.758 0.782 -0.961 1.00 0.00 C +ATOM 230 O ARG A 16 6.062 0.249 -0.094 1.00 0.00 O +ATOM 231 CB ARG A 16 6.114 -0.429 -3.128 1.00 0.00 C +ATOM 232 CG ARG A 16 5.073 -1.437 -2.599 1.00 0.00 C +ATOM 233 CD ARG A 16 4.058 -1.882 -3.667 1.00 0.00 C +ATOM 234 NE ARG A 16 2.925 -0.944 -3.816 1.00 0.00 N +ATOM 235 CZ ARG A 16 2.827 0.118 -4.610 1.00 0.00 C +ATOM 236 NH1 ARG A 16 3.797 0.480 -5.418 1.00 0.00 N +ATOM 237 NH2 ARG A 16 1.736 0.848 -4.603 1.00 0.00 N +ATOM 238 H ARG A 16 7.673 -2.184 -2.046 1.00 0.00 H +ATOM 239 HA ARG A 16 7.981 0.515 -2.712 1.00 0.00 H +ATOM 240 HB2 ARG A 16 5.597 0.477 -3.381 1.00 0.00 H +ATOM 241 HB3 ARG A 16 6.567 -0.849 -4.028 1.00 0.00 H +ATOM 242 HG2 ARG A 16 5.592 -2.305 -2.239 1.00 0.00 H +ATOM 243 HG3 ARG A 16 4.537 -1.022 -1.749 1.00 0.00 H +ATOM 244 HD2 ARG A 16 4.565 -1.958 -4.610 1.00 0.00 H +ATOM 245 HD3 ARG A 16 3.649 -2.842 -3.350 1.00 0.00 H +ATOM 246 HE ARG A 16 2.106 -1.187 -3.286 1.00 0.00 H +ATOM 247 HH11 ARG A 16 4.617 -0.096 -5.446 1.00 0.00 H +ATOM 248 HH12 ARG A 16 3.713 1.284 -6.011 1.00 0.00 H +ATOM 249 HH21 ARG A 16 0.947 0.584 -4.042 1.00 0.00 H +ATOM 250 HH22 ARG A 16 1.678 1.660 -5.191 1.00 0.00 H +ATOM 251 N PRO A 17 7.067 2.094 -0.905 1.00 0.00 N +ATOM 252 CA PRO A 17 6.620 2.967 0.182 1.00 0.00 C +ATOM 253 C PRO A 17 5.099 3.227 0.122 1.00 0.00 C +ATOM 254 O PRO A 17 4.486 3.009 -0.928 1.00 0.00 O +ATOM 255 CB PRO A 17 7.427 4.260 0.005 1.00 0.00 C +ATOM 256 CG PRO A 17 7.667 4.322 -1.501 1.00 0.00 C +ATOM 257 CD PRO A 17 7.835 2.854 -1.882 1.00 0.00 C +ATOM 258 HA PRO A 17 6.870 2.512 1.140 1.00 0.00 H +ATOM 259 HB2 PRO A 17 6.867 5.112 0.340 1.00 0.00 H +ATOM 260 HB3 PRO A 17 8.385 4.162 0.519 1.00 0.00 H +ATOM 261 HG2 PRO A 17 6.828 4.758 -2.008 1.00 0.00 H +ATOM 262 HG3 PRO A 17 8.552 4.908 -1.749 1.00 0.00 H +ATOM 263 HD2 PRO A 17 7.456 2.680 -2.871 1.00 0.00 H +ATOM 264 HD3 PRO A 17 8.888 2.571 -1.812 1.00 0.00 H +ATOM 265 N PRO A 18 4.480 3.698 1.223 1.00 0.00 N +ATOM 266 CA PRO A 18 3.051 4.007 1.257 1.00 0.00 C +ATOM 267 C PRO A 18 2.699 5.236 0.396 1.00 0.00 C +ATOM 268 O PRO A 18 3.570 6.059 0.111 1.00 0.00 O +ATOM 269 CB PRO A 18 2.722 4.232 2.738 1.00 0.00 C +ATOM 270 CG PRO A 18 4.041 4.721 3.329 1.00 0.00 C +ATOM 271 CD PRO A 18 5.086 3.950 2.524 1.00 0.00 C +ATOM 272 HA PRO A 18 2.496 3.146 0.892 1.00 0.00 H +ATOM 273 HB2 PRO A 18 1.954 4.972 2.852 1.00 0.00 H +ATOM 274 HB3 PRO A 18 2.449 3.284 3.200 1.00 0.00 H +ATOM 275 HG2 PRO A 18 4.155 5.779 3.195 1.00 0.00 H +ATOM 276 HG3 PRO A 18 4.113 4.505 4.395 1.00 0.00 H +ATOM 277 HD2 PRO A 18 5.979 4.535 2.413 1.00 0.00 H +ATOM 278 HD3 PRO A 18 5.300 2.999 3.013 1.00 0.00 H +ATOM 279 N PRO A 19 1.420 5.393 -0.004 1.00 0.00 N +ATOM 280 CA PRO A 19 0.957 6.533 -0.802 1.00 0.00 C +ATOM 281 C PRO A 19 0.749 7.823 0.014 1.00 0.00 C +ATOM 282 O PRO A 19 0.677 8.899 -0.575 1.00 0.00 O +ATOM 283 CB PRO A 19 -0.367 6.064 -1.415 1.00 0.00 C +ATOM 284 CG PRO A 19 -0.913 5.086 -0.375 1.00 0.00 C +ATOM 285 CD PRO A 19 0.348 4.422 0.169 1.00 0.00 C +ATOM 286 HA PRO A 19 1.669 6.748 -1.599 1.00 0.00 H +ATOM 287 HB2 PRO A 19 -1.038 6.889 -1.556 1.00 0.00 H +ATOM 288 HB3 PRO A 19 -0.164 5.530 -2.346 1.00 0.00 H +ATOM 289 HG2 PRO A 19 -1.441 5.605 0.402 1.00 0.00 H +ATOM 290 HG3 PRO A 19 -1.584 4.357 -0.825 1.00 0.00 H +ATOM 291 HD2 PRO A 19 0.225 4.183 1.208 1.00 0.00 H +ATOM 292 HD3 PRO A 19 0.576 3.535 -0.421 1.00 0.00 H +ATOM 293 N SER A 20 0.622 7.704 1.342 1.00 0.00 N +ATOM 294 CA SER A 20 0.537 8.783 2.335 1.00 0.00 C +ATOM 295 C SER A 20 1.931 9.218 2.798 1.00 0.00 C +ATOM 296 O SER A 20 2.563 8.335 3.437 1.00 0.00 O +ATOM 297 CB SER A 20 -0.247 8.262 3.545 1.00 0.00 C +ATOM 298 OG SER A 20 0.531 7.207 4.069 1.00 0.00 O +ATOM 299 OXT SER A 20 2.277 10.398 2.599 1.00 0.00 O +ATOM 300 H SER A 20 0.701 6.779 1.733 1.00 0.00 H +ATOM 301 HA SER A 20 0.039 9.654 1.908 1.00 0.00 H +ATOM 302 HB2 SER A 20 -0.369 9.038 4.276 1.00 0.00 H +ATOM 303 HB3 SER A 20 -1.237 7.911 3.252 1.00 0.00 H +ATOM 304 HG SER A 20 1.480 7.561 3.895 1.00 0.00 H +TER 305 SER A 20 +ENDMDL +MODEL 24 +ATOM 1 N ASN A 1 -6.292 7.385 1.128 1.00 0.00 N +ATOM 2 CA ASN A 1 -7.232 6.863 0.107 1.00 0.00 C +ATOM 3 C ASN A 1 -6.739 5.538 -0.485 1.00 0.00 C +ATOM 4 O ASN A 1 -7.431 4.543 -0.336 1.00 0.00 O +ATOM 5 CB ASN A 1 -7.545 7.923 -0.975 1.00 0.00 C +ATOM 6 CG ASN A 1 -6.313 8.297 -1.796 1.00 0.00 C +ATOM 7 OD1 ASN A 1 -5.208 8.306 -1.270 1.00 0.00 O +ATOM 8 ND2 ASN A 1 -6.440 8.526 -3.087 1.00 0.00 N +ATOM 9 H1 ASN A 1 -6.040 6.659 1.782 1.00 0.00 H +ATOM 10 H2 ASN A 1 -5.460 7.735 0.662 1.00 0.00 H +ATOM 11 H3 ASN A 1 -6.719 8.150 1.634 1.00 0.00 H +ATOM 12 HA ASN A 1 -8.173 6.624 0.607 1.00 0.00 H +ATOM 13 HB2 ASN A 1 -8.294 7.530 -1.636 1.00 0.00 H +ATOM 14 HB3 ASN A 1 -7.929 8.825 -0.499 1.00 0.00 H +ATOM 15 HD21 ASN A 1 -7.324 8.491 -3.570 1.00 0.00 H +ATOM 16 HD22 ASN A 1 -5.584 8.752 -3.571 1.00 0.00 H +ATOM 17 N LEU A 2 -5.556 5.496 -1.115 1.00 0.00 N +ATOM 18 CA LEU A 2 -5.032 4.330 -1.843 1.00 0.00 C +ATOM 19 C LEU A 2 -4.313 3.290 -0.955 1.00 0.00 C +ATOM 20 O LEU A 2 -3.853 2.259 -1.446 1.00 0.00 O +ATOM 21 CB LEU A 2 -4.138 4.841 -3.003 1.00 0.00 C +ATOM 22 CG LEU A 2 -4.722 4.651 -4.418 1.00 0.00 C +ATOM 23 CD1 LEU A 2 -4.894 3.173 -4.766 1.00 0.00 C +ATOM 24 CD2 LEU A 2 -6.050 5.386 -4.636 1.00 0.00 C +ATOM 25 H LEU A 2 -5.044 6.368 -1.237 1.00 0.00 H +ATOM 26 HA LEU A 2 -5.880 3.796 -2.268 1.00 0.00 H +ATOM 27 HB2 LEU A 2 -3.967 5.890 -2.853 1.00 0.00 H +ATOM 28 HB3 LEU A 2 -3.179 4.327 -2.975 1.00 0.00 H +ATOM 29 HG LEU A 2 -4.002 5.061 -5.126 1.00 0.00 H +ATOM 30 HD11 LEU A 2 -3.966 2.642 -4.555 1.00 0.00 H +ATOM 31 HD12 LEU A 2 -5.713 2.736 -4.196 1.00 0.00 H +ATOM 32 HD13 LEU A 2 -5.117 3.069 -5.827 1.00 0.00 H +ATOM 33 HD21 LEU A 2 -6.733 5.221 -3.804 1.00 0.00 H +ATOM 34 HD22 LEU A 2 -5.855 6.450 -4.745 1.00 0.00 H +ATOM 35 HD23 LEU A 2 -6.526 5.028 -5.550 1.00 0.00 H +ATOM 36 N TYR A 3 -4.243 3.530 0.360 1.00 0.00 N +ATOM 37 CA TYR A 3 -3.536 2.698 1.337 1.00 0.00 C +ATOM 38 C TYR A 3 -3.999 1.230 1.340 1.00 0.00 C +ATOM 39 O TYR A 3 -3.180 0.335 1.524 1.00 0.00 O +ATOM 40 CB TYR A 3 -3.688 3.329 2.730 1.00 0.00 C +ATOM 41 CG TYR A 3 -2.527 3.057 3.667 1.00 0.00 C +ATOM 42 CD1 TYR A 3 -2.504 1.888 4.455 1.00 0.00 C +ATOM 43 CD2 TYR A 3 -1.478 3.993 3.769 1.00 0.00 C +ATOM 44 CE1 TYR A 3 -1.449 1.665 5.360 1.00 0.00 C +ATOM 45 CE2 TYR A 3 -0.422 3.773 4.671 1.00 0.00 C +ATOM 46 CZ TYR A 3 -0.410 2.617 5.478 1.00 0.00 C +ATOM 47 OH TYR A 3 0.592 2.435 6.380 1.00 0.00 O +ATOM 48 H TYR A 3 -4.647 4.393 0.678 1.00 0.00 H +ATOM 49 HA TYR A 3 -2.476 2.708 1.078 1.00 0.00 H +ATOM 50 HB2 TYR A 3 -3.781 4.391 2.610 1.00 0.00 H +ATOM 51 HB3 TYR A 3 -4.613 2.981 3.190 1.00 0.00 H +ATOM 52 HD1 TYR A 3 -3.302 1.165 4.368 1.00 0.00 H +ATOM 53 HD2 TYR A 3 -1.485 4.893 3.169 1.00 0.00 H +ATOM 54 HE1 TYR A 3 -1.435 0.773 5.967 1.00 0.00 H +ATOM 55 HE2 TYR A 3 0.377 4.493 4.774 1.00 0.00 H +ATOM 56 HH TYR A 3 0.371 1.780 7.044 1.00 0.00 H +ATOM 57 N ILE A 4 -5.291 0.971 1.083 1.00 0.00 N +ATOM 58 CA ILE A 4 -5.855 -0.385 0.970 1.00 0.00 C +ATOM 59 C ILE A 4 -5.185 -1.167 -0.172 1.00 0.00 C +ATOM 60 O ILE A 4 -4.825 -2.331 0.000 1.00 0.00 O +ATOM 61 CB ILE A 4 -7.390 -0.331 0.775 1.00 0.00 C +ATOM 62 CG1 ILE A 4 -8.107 0.494 1.877 1.00 0.00 C +ATOM 63 CG2 ILE A 4 -7.991 -1.748 0.746 1.00 0.00 C +ATOM 64 CD1 ILE A 4 -8.694 1.795 1.319 1.00 0.00 C +ATOM 65 H ILE A 4 -5.903 1.762 0.942 1.00 0.00 H +ATOM 66 HA ILE A 4 -5.647 -0.919 1.898 1.00 0.00 H +ATOM 67 HB ILE A 4 -7.594 0.123 -0.197 1.00 0.00 H +ATOM 68 HG12 ILE A 4 -8.901 -0.096 2.292 1.00 0.00 H +ATOM 69 HG13 ILE A 4 -7.417 0.733 2.687 1.00 0.00 H +ATOM 70 HG21 ILE A 4 -7.583 -2.322 -0.085 1.00 0.00 H +ATOM 71 HG22 ILE A 4 -7.771 -2.267 1.681 1.00 0.00 H +ATOM 72 HG23 ILE A 4 -9.072 -1.688 0.616 1.00 0.00 H +ATOM 73 HD11 ILE A 4 -7.897 2.395 0.886 1.00 0.00 H +ATOM 74 HD12 ILE A 4 -9.436 1.569 0.553 1.00 0.00 H +ATOM 75 HD13 ILE A 4 -9.171 2.357 2.121 1.00 0.00 H +ATOM 76 N GLN A 5 -4.990 -0.524 -1.331 1.00 0.00 N +ATOM 77 CA GLN A 5 -4.287 -1.099 -2.478 1.00 0.00 C +ATOM 78 C GLN A 5 -2.828 -1.408 -2.125 1.00 0.00 C +ATOM 79 O GLN A 5 -2.375 -2.526 -2.353 1.00 0.00 O +ATOM 80 CB GLN A 5 -4.383 -0.141 -3.683 1.00 0.00 C +ATOM 81 CG GLN A 5 -5.134 -0.729 -4.885 1.00 0.00 C +ATOM 82 CD GLN A 5 -6.640 -0.793 -4.645 1.00 0.00 C +ATOM 83 OE1 GLN A 5 -7.380 0.135 -4.919 1.00 0.00 O +ATOM 84 NE2 GLN A 5 -7.150 -1.887 -4.116 1.00 0.00 N +ATOM 85 H GLN A 5 -5.215 0.461 -1.367 1.00 0.00 H +ATOM 86 HA GLN A 5 -4.756 -2.048 -2.731 1.00 0.00 H +ATOM 87 HB2 GLN A 5 -4.893 0.749 -3.368 1.00 0.00 H +ATOM 88 HB3 GLN A 5 -3.380 0.134 -4.013 1.00 0.00 H +ATOM 89 HG2 GLN A 5 -4.946 -0.115 -5.745 1.00 0.00 H +ATOM 90 HG3 GLN A 5 -4.744 -1.721 -5.116 1.00 0.00 H +ATOM 91 HE21 GLN A 5 -6.566 -2.656 -3.852 1.00 0.00 H +ATOM 92 HE22 GLN A 5 -8.148 -1.839 -3.996 1.00 0.00 H +ATOM 93 N TRP A 6 -2.121 -0.454 -1.511 1.00 0.00 N +ATOM 94 CA TRP A 6 -0.744 -0.663 -1.057 1.00 0.00 C +ATOM 95 C TRP A 6 -0.613 -1.790 -0.020 1.00 0.00 C +ATOM 96 O TRP A 6 0.331 -2.579 -0.067 1.00 0.00 O +ATOM 97 CB TRP A 6 -0.201 0.655 -0.509 1.00 0.00 C +ATOM 98 CG TRP A 6 1.191 0.564 0.027 1.00 0.00 C +ATOM 99 CD1 TRP A 6 2.317 0.549 -0.722 1.00 0.00 C +ATOM 100 CD2 TRP A 6 1.627 0.427 1.415 1.00 0.00 C +ATOM 101 NE1 TRP A 6 3.412 0.401 0.105 1.00 0.00 N +ATOM 102 CE2 TRP A 6 3.049 0.343 1.428 1.00 0.00 C +ATOM 103 CE3 TRP A 6 0.972 0.368 2.666 1.00 0.00 C +ATOM 104 CZ2 TRP A 6 3.794 0.234 2.609 1.00 0.00 C +ATOM 105 CZ3 TRP A 6 1.709 0.249 3.860 1.00 0.00 C +ATOM 106 CH2 TRP A 6 3.114 0.197 3.837 1.00 0.00 C +ATOM 107 H TRP A 6 -2.569 0.443 -1.359 1.00 0.00 H +ATOM 108 HA TRP A 6 -0.136 -0.952 -1.917 1.00 0.00 H +ATOM 109 HB2 TRP A 6 -0.211 1.379 -1.301 1.00 0.00 H +ATOM 110 HB3 TRP A 6 -0.855 1.013 0.287 1.00 0.00 H +ATOM 111 HD1 TRP A 6 2.345 0.630 -1.800 1.00 0.00 H +ATOM 112 HE1 TRP A 6 4.387 0.366 -0.203 1.00 0.00 H +ATOM 113 HE3 TRP A 6 -0.106 0.426 2.698 1.00 0.00 H +ATOM 114 HZ2 TRP A 6 4.873 0.181 2.560 1.00 0.00 H +ATOM 115 HZ3 TRP A 6 1.192 0.211 4.808 1.00 0.00 H +ATOM 116 HH2 TRP A 6 3.670 0.129 4.761 1.00 0.00 H +ATOM 117 N LEU A 7 -1.578 -1.920 0.901 1.00 0.00 N +ATOM 118 CA LEU A 7 -1.631 -3.070 1.801 1.00 0.00 C +ATOM 119 C LEU A 7 -1.843 -4.394 1.050 1.00 0.00 C +ATOM 120 O LEU A 7 -1.191 -5.372 1.418 1.00 0.00 O +ATOM 121 CB LEU A 7 -2.686 -2.859 2.899 1.00 0.00 C +ATOM 122 CG LEU A 7 -2.268 -1.863 4.000 1.00 0.00 C +ATOM 123 CD1 LEU A 7 -3.426 -1.718 4.994 1.00 0.00 C +ATOM 124 CD2 LEU A 7 -1.023 -2.315 4.775 1.00 0.00 C +ATOM 125 H LEU A 7 -2.292 -1.197 0.964 1.00 0.00 H +ATOM 126 HA LEU A 7 -0.656 -3.165 2.275 1.00 0.00 H +ATOM 127 HB2 LEU A 7 -3.583 -2.492 2.437 1.00 0.00 H +ATOM 128 HB3 LEU A 7 -2.886 -3.821 3.373 1.00 0.00 H +ATOM 129 HG LEU A 7 -2.065 -0.889 3.560 1.00 0.00 H +ATOM 130 HD11 LEU A 7 -4.316 -1.368 4.472 1.00 0.00 H +ATOM 131 HD12 LEU A 7 -3.638 -2.679 5.461 1.00 0.00 H +ATOM 132 HD13 LEU A 7 -3.167 -0.998 5.769 1.00 0.00 H +ATOM 133 HD21 LEU A 7 -1.138 -3.351 5.097 1.00 0.00 H +ATOM 134 HD22 LEU A 7 -0.138 -2.227 4.147 1.00 0.00 H +ATOM 135 HD23 LEU A 7 -0.876 -1.684 5.651 1.00 0.00 H +ATOM 136 N LYS A 8 -2.657 -4.444 -0.024 1.00 0.00 N +ATOM 137 CA LYS A 8 -2.775 -5.659 -0.860 1.00 0.00 C +ATOM 138 C LYS A 8 -1.440 -6.118 -1.450 1.00 0.00 C +ATOM 139 O LYS A 8 -1.240 -7.322 -1.591 1.00 0.00 O +ATOM 140 CB LYS A 8 -3.774 -5.527 -2.021 1.00 0.00 C +ATOM 141 CG LYS A 8 -5.249 -5.395 -1.620 1.00 0.00 C +ATOM 142 CD LYS A 8 -6.167 -6.088 -2.648 1.00 0.00 C +ATOM 143 CE LYS A 8 -7.424 -5.268 -2.953 1.00 0.00 C +ATOM 144 NZ LYS A 8 -8.590 -6.134 -3.235 1.00 0.00 N +ATOM 145 H LYS A 8 -3.174 -3.604 -0.275 1.00 0.00 H +ATOM 146 HA LYS A 8 -3.108 -6.475 -0.218 1.00 0.00 H +ATOM 147 HB2 LYS A 8 -3.507 -4.656 -2.587 1.00 0.00 H +ATOM 148 HB3 LYS A 8 -3.662 -6.434 -2.619 1.00 0.00 H +ATOM 149 HG2 LYS A 8 -5.393 -5.849 -0.659 1.00 0.00 H +ATOM 150 HG3 LYS A 8 -5.497 -4.337 -1.541 1.00 0.00 H +ATOM 151 HD2 LYS A 8 -5.619 -6.230 -3.559 1.00 0.00 H +ATOM 152 HD3 LYS A 8 -6.435 -7.067 -2.249 1.00 0.00 H +ATOM 153 HE2 LYS A 8 -7.648 -4.648 -2.106 1.00 0.00 H +ATOM 154 HE3 LYS A 8 -7.213 -4.642 -3.824 1.00 0.00 H +ATOM 155 HZ1 LYS A 8 -8.371 -6.792 -3.971 1.00 0.00 H +ATOM 156 HZ2 LYS A 8 -8.842 -6.653 -2.403 1.00 0.00 H +ATOM 157 HZ3 LYS A 8 -9.385 -5.577 -3.521 1.00 0.00 H +ATOM 158 N ASP A 9 -0.520 -5.196 -1.760 1.00 0.00 N +ATOM 159 CA ASP A 9 0.824 -5.550 -2.228 1.00 0.00 C +ATOM 160 C ASP A 9 1.682 -6.246 -1.149 1.00 0.00 C +ATOM 161 O ASP A 9 2.738 -6.791 -1.479 1.00 0.00 O +ATOM 162 CB ASP A 9 1.569 -4.302 -2.729 1.00 0.00 C +ATOM 163 CG ASP A 9 0.926 -3.620 -3.934 1.00 0.00 C +ATOM 164 OD1 ASP A 9 0.770 -4.314 -4.963 1.00 0.00 O +ATOM 165 OD2 ASP A 9 0.694 -2.393 -3.841 1.00 0.00 O +ATOM 166 H ASP A 9 -0.774 -4.217 -1.668 1.00 0.00 H +ATOM 167 HA ASP A 9 0.732 -6.246 -3.065 1.00 0.00 H +ATOM 168 HB2 ASP A 9 1.611 -3.592 -1.925 1.00 0.00 H +ATOM 169 HB3 ASP A 9 2.563 -4.606 -3.037 1.00 0.00 H +ATOM 170 N GLY A 10 1.266 -6.215 0.128 1.00 0.00 N +ATOM 171 CA GLY A 10 2.015 -6.734 1.274 1.00 0.00 C +ATOM 172 C GLY A 10 2.595 -5.646 2.186 1.00 0.00 C +ATOM 173 O GLY A 10 3.441 -5.959 3.033 1.00 0.00 O +ATOM 174 H GLY A 10 0.348 -5.819 0.317 1.00 0.00 H +ATOM 175 HA2 GLY A 10 1.343 -7.348 1.874 1.00 0.00 H +ATOM 176 HA3 GLY A 10 2.832 -7.371 0.933 1.00 0.00 H +ATOM 177 N GLY A 11 2.188 -4.378 2.015 1.00 0.00 N +ATOM 178 CA GLY A 11 2.682 -3.258 2.815 1.00 0.00 C +ATOM 179 C GLY A 11 4.216 -3.151 2.773 1.00 0.00 C +ATOM 180 O GLY A 11 4.797 -3.293 1.691 1.00 0.00 O +ATOM 181 H GLY A 11 1.532 -4.174 1.270 1.00 0.00 H +ATOM 182 HA2 GLY A 11 2.262 -2.332 2.425 1.00 0.00 H +ATOM 183 HA3 GLY A 11 2.330 -3.391 3.837 1.00 0.00 H +ATOM 184 N PRO A 12 4.904 -2.935 3.918 1.00 0.00 N +ATOM 185 CA PRO A 12 6.365 -2.823 3.965 1.00 0.00 C +ATOM 186 C PRO A 12 7.102 -4.015 3.335 1.00 0.00 C +ATOM 187 O PRO A 12 8.165 -3.833 2.746 1.00 0.00 O +ATOM 188 CB PRO A 12 6.736 -2.681 5.447 1.00 0.00 C +ATOM 189 CG PRO A 12 5.452 -2.189 6.112 1.00 0.00 C +ATOM 190 CD PRO A 12 4.353 -2.826 5.263 1.00 0.00 C +ATOM 191 HA PRO A 12 6.658 -1.915 3.438 1.00 0.00 H +ATOM 192 HB2 PRO A 12 7.038 -3.626 5.856 1.00 0.00 H +ATOM 193 HB3 PRO A 12 7.554 -1.973 5.589 1.00 0.00 H +ATOM 194 HG2 PRO A 12 5.394 -2.523 7.130 1.00 0.00 H +ATOM 195 HG3 PRO A 12 5.394 -1.103 6.036 1.00 0.00 H +ATOM 196 HD2 PRO A 12 4.102 -3.797 5.644 1.00 0.00 H +ATOM 197 HD3 PRO A 12 3.456 -2.209 5.293 1.00 0.00 H +ATOM 198 N SER A 13 6.528 -5.228 3.414 1.00 0.00 N +ATOM 199 CA SER A 13 7.138 -6.446 2.859 1.00 0.00 C +ATOM 200 C SER A 13 7.295 -6.407 1.333 1.00 0.00 C +ATOM 201 O SER A 13 8.174 -7.073 0.792 1.00 0.00 O +ATOM 202 CB SER A 13 6.348 -7.692 3.277 1.00 0.00 C +ATOM 203 OG SER A 13 5.118 -7.809 2.592 1.00 0.00 O +ATOM 204 H SER A 13 5.614 -5.292 3.842 1.00 0.00 H +ATOM 205 HA SER A 13 8.138 -6.537 3.280 1.00 0.00 H +ATOM 206 HB2 SER A 13 6.942 -8.561 3.069 1.00 0.00 H +ATOM 207 HB3 SER A 13 6.165 -7.667 4.352 1.00 0.00 H +ATOM 208 HG SER A 13 4.500 -7.079 2.847 1.00 0.00 H +ATOM 209 N SER A 14 6.489 -5.586 0.645 1.00 0.00 N +ATOM 210 CA SER A 14 6.548 -5.376 -0.801 1.00 0.00 C +ATOM 211 C SER A 14 7.615 -4.354 -1.227 1.00 0.00 C +ATOM 212 O SER A 14 7.779 -4.098 -2.420 1.00 0.00 O +ATOM 213 CB SER A 14 5.172 -4.906 -1.282 1.00 0.00 C +ATOM 214 OG SER A 14 4.768 -5.648 -2.411 1.00 0.00 O +ATOM 215 H SER A 14 5.813 -5.042 1.173 1.00 0.00 H +ATOM 216 HA SER A 14 6.781 -6.328 -1.284 1.00 0.00 H +ATOM 217 HB2 SER A 14 4.456 -5.042 -0.494 1.00 0.00 H +ATOM 218 HB3 SER A 14 5.202 -3.849 -1.527 1.00 0.00 H +ATOM 219 HG SER A 14 4.004 -6.211 -2.103 1.00 0.00 H +ATOM 220 N GLY A 15 8.309 -3.713 -0.277 1.00 0.00 N +ATOM 221 CA GLY A 15 9.390 -2.752 -0.512 1.00 0.00 C +ATOM 222 C GLY A 15 8.950 -1.376 -1.041 1.00 0.00 C +ATOM 223 O GLY A 15 9.569 -0.373 -0.689 1.00 0.00 O +ATOM 224 H GLY A 15 8.111 -3.947 0.692 1.00 0.00 H +ATOM 225 HA2 GLY A 15 9.920 -2.595 0.428 1.00 0.00 H +ATOM 226 HA3 GLY A 15 10.093 -3.179 -1.226 1.00 0.00 H +ATOM 227 N ARG A 16 7.896 -1.304 -1.867 1.00 0.00 N +ATOM 228 CA ARG A 16 7.317 -0.041 -2.355 1.00 0.00 C +ATOM 229 C ARG A 16 6.801 0.839 -1.194 1.00 0.00 C +ATOM 230 O ARG A 16 6.157 0.315 -0.283 1.00 0.00 O +ATOM 231 CB ARG A 16 6.215 -0.292 -3.405 1.00 0.00 C +ATOM 232 CG ARG A 16 5.119 -1.280 -2.965 1.00 0.00 C +ATOM 233 CD ARG A 16 3.913 -1.309 -3.915 1.00 0.00 C +ATOM 234 NE ARG A 16 4.266 -1.765 -5.273 1.00 0.00 N +ATOM 235 CZ ARG A 16 4.470 -3.012 -5.684 1.00 0.00 C +ATOM 236 NH1 ARG A 16 4.434 -4.046 -4.877 1.00 0.00 N +ATOM 237 NH2 ARG A 16 4.742 -3.246 -6.946 1.00 0.00 N +ATOM 238 H ARG A 16 7.511 -2.196 -2.163 1.00 0.00 H +ATOM 239 HA ARG A 16 8.125 0.496 -2.848 1.00 0.00 H +ATOM 240 HB2 ARG A 16 5.747 0.647 -3.630 1.00 0.00 H +ATOM 241 HB3 ARG A 16 6.683 -0.678 -4.311 1.00 0.00 H +ATOM 242 HG2 ARG A 16 5.544 -2.264 -2.923 1.00 0.00 H +ATOM 243 HG3 ARG A 16 4.753 -1.013 -1.976 1.00 0.00 H +ATOM 244 HD2 ARG A 16 3.174 -1.974 -3.511 1.00 0.00 H +ATOM 245 HD3 ARG A 16 3.485 -0.307 -3.974 1.00 0.00 H +ATOM 246 HE ARG A 16 4.286 -1.055 -5.983 1.00 0.00 H +ATOM 247 HH11 ARG A 16 4.241 -3.927 -3.896 1.00 0.00 H +ATOM 248 HH12 ARG A 16 4.571 -4.985 -5.203 1.00 0.00 H +ATOM 249 HH21 ARG A 16 4.784 -2.494 -7.608 1.00 0.00 H +ATOM 250 HH22 ARG A 16 4.878 -4.192 -7.246 1.00 0.00 H +ATOM 251 N PRO A 17 7.021 2.169 -1.222 1.00 0.00 N +ATOM 252 CA PRO A 17 6.564 3.076 -0.168 1.00 0.00 C +ATOM 253 C PRO A 17 5.035 3.273 -0.193 1.00 0.00 C +ATOM 254 O PRO A 17 4.408 3.044 -1.232 1.00 0.00 O +ATOM 255 CB PRO A 17 7.304 4.392 -0.436 1.00 0.00 C +ATOM 256 CG PRO A 17 7.488 4.390 -1.951 1.00 0.00 C +ATOM 257 CD PRO A 17 7.717 2.912 -2.265 1.00 0.00 C +ATOM 258 HA PRO A 17 6.863 2.681 0.803 1.00 0.00 H +ATOM 259 HB2 PRO A 17 6.718 5.234 -0.121 1.00 0.00 H +ATOM 260 HB3 PRO A 17 8.279 4.364 0.050 1.00 0.00 H +ATOM 261 HG2 PRO A 17 6.611 4.759 -2.447 1.00 0.00 H +ATOM 262 HG3 PRO A 17 8.336 5.002 -2.259 1.00 0.00 H +ATOM 263 HD2 PRO A 17 7.314 2.668 -3.229 1.00 0.00 H +ATOM 264 HD3 PRO A 17 8.783 2.685 -2.219 1.00 0.00 H +ATOM 265 N PRO A 18 4.420 3.714 0.924 1.00 0.00 N +ATOM 266 CA PRO A 18 2.979 3.943 0.997 1.00 0.00 C +ATOM 267 C PRO A 18 2.541 5.167 0.167 1.00 0.00 C +ATOM 268 O PRO A 18 3.300 6.129 0.038 1.00 0.00 O +ATOM 269 CB PRO A 18 2.670 4.129 2.486 1.00 0.00 C +ATOM 270 CG PRO A 18 3.976 4.683 3.053 1.00 0.00 C +ATOM 271 CD PRO A 18 5.042 3.977 2.213 1.00 0.00 C +ATOM 272 HA PRO A 18 2.469 3.052 0.638 1.00 0.00 H +ATOM 273 HB2 PRO A 18 1.865 4.824 2.627 1.00 0.00 H +ATOM 274 HB3 PRO A 18 2.459 3.159 2.939 1.00 0.00 H +ATOM 275 HG2 PRO A 18 4.030 5.747 2.929 1.00 0.00 H +ATOM 276 HG3 PRO A 18 4.085 4.459 4.114 1.00 0.00 H +ATOM 277 HD2 PRO A 18 5.901 4.608 2.092 1.00 0.00 H +ATOM 278 HD3 PRO A 18 5.310 3.030 2.683 1.00 0.00 H +ATOM 279 N PRO A 19 1.305 5.165 -0.369 1.00 0.00 N +ATOM 280 CA PRO A 19 0.753 6.266 -1.151 1.00 0.00 C +ATOM 281 C PRO A 19 0.318 7.409 -0.226 1.00 0.00 C +ATOM 282 O PRO A 19 -0.451 7.189 0.714 1.00 0.00 O +ATOM 283 CB PRO A 19 -0.432 5.656 -1.908 1.00 0.00 C +ATOM 284 CG PRO A 19 -0.932 4.559 -0.967 1.00 0.00 C +ATOM 285 CD PRO A 19 0.347 4.074 -0.285 1.00 0.00 C +ATOM 286 HA PRO A 19 1.493 6.630 -1.865 1.00 0.00 H +ATOM 287 HB2 PRO A 19 -1.195 6.390 -2.081 1.00 0.00 H +ATOM 288 HB3 PRO A 19 -0.073 5.200 -2.833 1.00 0.00 H +ATOM 289 HG2 PRO A 19 -1.625 4.954 -0.249 1.00 0.00 H +ATOM 290 HG3 PRO A 19 -1.416 3.748 -1.510 1.00 0.00 H +ATOM 291 HD2 PRO A 19 0.150 3.833 0.742 1.00 0.00 H +ATOM 292 HD3 PRO A 19 0.754 3.228 -0.832 1.00 0.00 H +ATOM 293 N SER A 20 0.793 8.629 -0.503 1.00 0.00 N +ATOM 294 CA SER A 20 0.416 9.847 0.221 1.00 0.00 C +ATOM 295 C SER A 20 0.407 11.090 -0.662 1.00 0.00 C +ATOM 296 O SER A 20 0.891 11.013 -1.811 1.00 0.00 O +ATOM 297 CB SER A 20 1.359 10.094 1.397 1.00 0.00 C +ATOM 298 OG SER A 20 0.787 11.196 2.067 1.00 0.00 O +ATOM 299 OXT SER A 20 -0.035 12.112 -0.078 1.00 0.00 O +ATOM 300 H SER A 20 1.371 8.782 -1.320 1.00 0.00 H +ATOM 301 HA SER A 20 -0.594 9.730 0.608 1.00 0.00 H +ATOM 302 HB2 SER A 20 1.400 9.236 2.040 1.00 0.00 H +ATOM 303 HB3 SER A 20 2.353 10.357 1.025 1.00 0.00 H +ATOM 304 HG SER A 20 0.387 11.733 1.311 1.00 0.00 H +TER 305 SER A 20 +ENDMDL +MODEL 25 +ATOM 1 N ASN A 1 -8.822 3.713 -1.688 1.00 0.00 N +ATOM 2 CA ASN A 1 -7.636 4.584 -1.839 1.00 0.00 C +ATOM 3 C ASN A 1 -6.387 3.720 -2.050 1.00 0.00 C +ATOM 4 O ASN A 1 -6.449 2.520 -1.793 1.00 0.00 O +ATOM 5 CB ASN A 1 -7.493 5.546 -0.643 1.00 0.00 C +ATOM 6 CG ASN A 1 -6.684 6.775 -1.045 1.00 0.00 C +ATOM 7 OD1 ASN A 1 -5.471 6.716 -1.147 1.00 0.00 O +ATOM 8 ND2 ASN A 1 -7.325 7.882 -1.371 1.00 0.00 N +ATOM 9 H1 ASN A 1 -8.903 3.106 -2.494 1.00 0.00 H +ATOM 10 H2 ASN A 1 -8.709 3.131 -0.870 1.00 0.00 H +ATOM 11 H3 ASN A 1 -9.662 4.268 -1.598 1.00 0.00 H +ATOM 12 HA ASN A 1 -7.770 5.186 -2.739 1.00 0.00 H +ATOM 13 HB2 ASN A 1 -8.468 5.855 -0.319 1.00 0.00 H +ATOM 14 HB3 ASN A 1 -6.990 5.041 0.185 1.00 0.00 H +ATOM 15 HD21 ASN A 1 -8.323 8.004 -1.308 1.00 0.00 H +ATOM 16 HD22 ASN A 1 -6.719 8.647 -1.627 1.00 0.00 H +ATOM 17 N LEU A 2 -5.276 4.311 -2.504 1.00 0.00 N +ATOM 18 CA LEU A 2 -4.020 3.626 -2.831 1.00 0.00 C +ATOM 19 C LEU A 2 -3.471 2.838 -1.629 1.00 0.00 C +ATOM 20 O LEU A 2 -2.958 1.734 -1.800 1.00 0.00 O +ATOM 21 CB LEU A 2 -3.012 4.674 -3.361 1.00 0.00 C +ATOM 22 CG LEU A 2 -2.196 4.219 -4.592 1.00 0.00 C +ATOM 23 CD1 LEU A 2 -1.533 5.435 -5.247 1.00 0.00 C +ATOM 24 CD2 LEU A 2 -1.091 3.204 -4.289 1.00 0.00 C +ATOM 25 H LEU A 2 -5.249 5.328 -2.518 1.00 0.00 H +ATOM 26 HA LEU A 2 -4.228 2.905 -3.623 1.00 0.00 H +ATOM 27 HB2 LEU A 2 -3.558 5.557 -3.630 1.00 0.00 H +ATOM 28 HB3 LEU A 2 -2.343 4.981 -2.561 1.00 0.00 H +ATOM 29 HG LEU A 2 -2.881 3.777 -5.315 1.00 0.00 H +ATOM 30 HD11 LEU A 2 -2.296 6.145 -5.570 1.00 0.00 H +ATOM 31 HD12 LEU A 2 -0.864 5.929 -4.541 1.00 0.00 H +ATOM 32 HD13 LEU A 2 -0.962 5.119 -6.121 1.00 0.00 H +ATOM 33 HD21 LEU A 2 -0.285 3.677 -3.730 1.00 0.00 H +ATOM 34 HD22 LEU A 2 -1.483 2.363 -3.723 1.00 0.00 H +ATOM 35 HD23 LEU A 2 -0.681 2.826 -5.224 1.00 0.00 H +ATOM 36 N TYR A 3 -3.666 3.358 -0.409 1.00 0.00 N +ATOM 37 CA TYR A 3 -3.284 2.708 0.847 1.00 0.00 C +ATOM 38 C TYR A 3 -3.873 1.292 1.002 1.00 0.00 C +ATOM 39 O TYR A 3 -3.194 0.398 1.503 1.00 0.00 O +ATOM 40 CB TYR A 3 -3.690 3.607 2.030 1.00 0.00 C +ATOM 41 CG TYR A 3 -2.649 3.669 3.132 1.00 0.00 C +ATOM 42 CD1 TYR A 3 -2.390 2.535 3.927 1.00 0.00 C +ATOM 43 CD2 TYR A 3 -1.934 4.863 3.357 1.00 0.00 C +ATOM 44 CE1 TYR A 3 -1.425 2.597 4.950 1.00 0.00 C +ATOM 45 CE2 TYR A 3 -0.980 4.936 4.389 1.00 0.00 C +ATOM 46 CZ TYR A 3 -0.731 3.802 5.194 1.00 0.00 C +ATOM 47 OH TYR A 3 0.150 3.872 6.227 1.00 0.00 O +ATOM 48 H TYR A 3 -4.047 4.292 -0.362 1.00 0.00 H +ATOM 49 HA TYR A 3 -2.198 2.613 0.856 1.00 0.00 H +ATOM 50 HB2 TYR A 3 -3.852 4.601 1.660 1.00 0.00 H +ATOM 51 HB3 TYR A 3 -4.632 3.256 2.454 1.00 0.00 H +ATOM 52 HD1 TYR A 3 -2.935 1.619 3.761 1.00 0.00 H +ATOM 53 HD2 TYR A 3 -2.110 5.742 2.747 1.00 0.00 H +ATOM 54 HE1 TYR A 3 -1.221 1.739 5.572 1.00 0.00 H +ATOM 55 HE2 TYR A 3 -0.449 5.867 4.548 1.00 0.00 H +ATOM 56 HH TYR A 3 0.326 4.786 6.461 1.00 0.00 H +ATOM 57 N ILE A 4 -5.115 1.071 0.535 1.00 0.00 N +ATOM 58 CA ILE A 4 -5.776 -0.242 0.562 1.00 0.00 C +ATOM 59 C ILE A 4 -5.002 -1.217 -0.330 1.00 0.00 C +ATOM 60 O ILE A 4 -4.614 -2.289 0.122 1.00 0.00 O +ATOM 61 CB ILE A 4 -7.263 -0.143 0.130 1.00 0.00 C +ATOM 62 CG1 ILE A 4 -8.048 0.841 1.030 1.00 0.00 C +ATOM 63 CG2 ILE A 4 -7.919 -1.539 0.153 1.00 0.00 C +ATOM 64 CD1 ILE A 4 -9.483 1.110 0.557 1.00 0.00 C +ATOM 65 H ILE A 4 -5.572 1.829 0.046 1.00 0.00 H +ATOM 66 HA ILE A 4 -5.741 -0.629 1.581 1.00 0.00 H +ATOM 67 HB ILE A 4 -7.305 0.225 -0.896 1.00 0.00 H +ATOM 68 HG12 ILE A 4 -8.090 0.432 2.021 1.00 0.00 H +ATOM 69 HG13 ILE A 4 -7.535 1.802 1.049 1.00 0.00 H +ATOM 70 HG21 ILE A 4 -7.419 -2.213 -0.543 1.00 0.00 H +ATOM 71 HG22 ILE A 4 -7.865 -1.964 1.157 1.00 0.00 H +ATOM 72 HG23 ILE A 4 -8.963 -1.481 -0.153 1.00 0.00 H +ATOM 73 HD11 ILE A 4 -9.492 1.320 -0.512 1.00 0.00 H +ATOM 74 HD12 ILE A 4 -10.118 0.247 0.759 1.00 0.00 H +ATOM 75 HD13 ILE A 4 -9.887 1.968 1.096 1.00 0.00 H +ATOM 76 N GLN A 5 -4.757 -0.824 -1.585 1.00 0.00 N +ATOM 77 CA GLN A 5 -4.017 -1.607 -2.576 1.00 0.00 C +ATOM 78 C GLN A 5 -2.587 -1.900 -2.083 1.00 0.00 C +ATOM 79 O GLN A 5 -2.148 -3.047 -2.102 1.00 0.00 O +ATOM 80 CB GLN A 5 -4.057 -0.847 -3.919 1.00 0.00 C +ATOM 81 CG GLN A 5 -4.071 -1.760 -5.155 1.00 0.00 C +ATOM 82 CD GLN A 5 -2.773 -2.524 -5.382 1.00 0.00 C +ATOM 83 OE1 GLN A 5 -2.723 -3.734 -5.250 1.00 0.00 O +ATOM 84 NE2 GLN A 5 -1.697 -1.854 -5.752 1.00 0.00 N +ATOM 85 H GLN A 5 -5.059 0.104 -1.844 1.00 0.00 H +ATOM 86 HA GLN A 5 -4.528 -2.564 -2.697 1.00 0.00 H +ATOM 87 HB2 GLN A 5 -4.942 -0.241 -3.937 1.00 0.00 H +ATOM 88 HB3 GLN A 5 -3.227 -0.144 -3.981 1.00 0.00 H +ATOM 89 HG2 GLN A 5 -4.865 -2.472 -5.038 1.00 0.00 H +ATOM 90 HG3 GLN A 5 -4.268 -1.149 -6.038 1.00 0.00 H +ATOM 91 HE21 GLN A 5 -1.694 -0.862 -5.911 1.00 0.00 H +ATOM 92 HE22 GLN A 5 -0.889 -2.443 -5.884 1.00 0.00 H +ATOM 93 N TRP A 6 -1.898 -0.878 -1.557 1.00 0.00 N +ATOM 94 CA TRP A 6 -0.578 -0.992 -0.936 1.00 0.00 C +ATOM 95 C TRP A 6 -0.552 -2.023 0.205 1.00 0.00 C +ATOM 96 O TRP A 6 0.292 -2.918 0.198 1.00 0.00 O +ATOM 97 CB TRP A 6 -0.127 0.397 -0.466 1.00 0.00 C +ATOM 98 CG TRP A 6 1.249 0.448 0.122 1.00 0.00 C +ATOM 99 CD1 TRP A 6 2.402 0.437 -0.587 1.00 0.00 C +ATOM 100 CD2 TRP A 6 1.644 0.501 1.528 1.00 0.00 C +ATOM 101 NE1 TRP A 6 3.474 0.460 0.282 1.00 0.00 N +ATOM 102 CE2 TRP A 6 3.068 0.490 1.594 1.00 0.00 C +ATOM 103 CE3 TRP A 6 0.952 0.549 2.757 1.00 0.00 C +ATOM 104 CZ2 TRP A 6 3.775 0.513 2.805 1.00 0.00 C +ATOM 105 CZ3 TRP A 6 1.647 0.567 3.982 1.00 0.00 C +ATOM 106 CH2 TRP A 6 3.054 0.548 4.010 1.00 0.00 C +ATOM 107 H TRP A 6 -2.335 0.042 -1.580 1.00 0.00 H +ATOM 108 HA TRP A 6 0.127 -1.341 -1.691 1.00 0.00 H +ATOM 109 HB2 TRP A 6 -0.154 1.059 -1.310 1.00 0.00 H +ATOM 110 HB3 TRP A 6 -0.830 0.770 0.277 1.00 0.00 H +ATOM 111 HD1 TRP A 6 2.467 0.400 -1.665 1.00 0.00 H +ATOM 112 HE1 TRP A 6 4.459 0.466 0.011 1.00 0.00 H +ATOM 113 HE3 TRP A 6 -0.127 0.579 2.747 1.00 0.00 H +ATOM 114 HZ2 TRP A 6 4.854 0.502 2.796 1.00 0.00 H +ATOM 115 HZ3 TRP A 6 1.097 0.607 4.913 1.00 0.00 H +ATOM 116 HH2 TRP A 6 3.578 0.569 4.955 1.00 0.00 H +ATOM 117 N LEU A 7 -1.488 -1.942 1.163 1.00 0.00 N +ATOM 118 CA LEU A 7 -1.617 -2.951 2.219 1.00 0.00 C +ATOM 119 C LEU A 7 -1.966 -4.341 1.668 1.00 0.00 C +ATOM 120 O LEU A 7 -1.376 -5.320 2.123 1.00 0.00 O +ATOM 121 CB LEU A 7 -2.642 -2.514 3.280 1.00 0.00 C +ATOM 122 CG LEU A 7 -2.149 -1.401 4.223 1.00 0.00 C +ATOM 123 CD1 LEU A 7 -3.284 -0.995 5.164 1.00 0.00 C +ATOM 124 CD2 LEU A 7 -0.953 -1.839 5.080 1.00 0.00 C +ATOM 125 H LEU A 7 -2.154 -1.170 1.141 1.00 0.00 H +ATOM 126 HA LEU A 7 -0.644 -3.065 2.695 1.00 0.00 H +ATOM 127 HB2 LEU A 7 -3.519 -2.160 2.773 1.00 0.00 H +ATOM 128 HB3 LEU A 7 -2.902 -3.381 3.888 1.00 0.00 H +ATOM 129 HG LEU A 7 -1.860 -0.531 3.640 1.00 0.00 H +ATOM 130 HD11 LEU A 7 -4.142 -0.659 4.582 1.00 0.00 H +ATOM 131 HD12 LEU A 7 -3.579 -1.842 5.783 1.00 0.00 H +ATOM 132 HD13 LEU A 7 -2.959 -0.178 5.809 1.00 0.00 H +ATOM 133 HD21 LEU A 7 -1.180 -2.772 5.594 1.00 0.00 H +ATOM 134 HD22 LEU A 7 -0.070 -1.975 4.456 1.00 0.00 H +ATOM 135 HD23 LEU A 7 -0.724 -1.071 5.819 1.00 0.00 H +ATOM 136 N LYS A 8 -2.866 -4.444 0.675 1.00 0.00 N +ATOM 137 CA LYS A 8 -3.232 -5.709 0.014 1.00 0.00 C +ATOM 138 C LYS A 8 -1.995 -6.419 -0.554 1.00 0.00 C +ATOM 139 O LYS A 8 -1.851 -7.626 -0.374 1.00 0.00 O +ATOM 140 CB LYS A 8 -4.313 -5.443 -1.057 1.00 0.00 C +ATOM 141 CG LYS A 8 -5.232 -6.637 -1.368 1.00 0.00 C +ATOM 142 CD LYS A 8 -4.597 -7.726 -2.241 1.00 0.00 C +ATOM 143 CE LYS A 8 -5.626 -8.816 -2.553 1.00 0.00 C +ATOM 144 NZ LYS A 8 -4.979 -9.985 -3.192 1.00 0.00 N +ATOM 145 H LYS A 8 -3.334 -3.588 0.376 1.00 0.00 H +ATOM 146 HA LYS A 8 -3.648 -6.368 0.776 1.00 0.00 H +ATOM 147 HB2 LYS A 8 -4.926 -4.632 -0.716 1.00 0.00 H +ATOM 148 HB3 LYS A 8 -3.853 -5.080 -1.976 1.00 0.00 H +ATOM 149 HG2 LYS A 8 -5.526 -7.084 -0.438 1.00 0.00 H +ATOM 150 HG3 LYS A 8 -6.106 -6.251 -1.896 1.00 0.00 H +ATOM 151 HD2 LYS A 8 -4.253 -7.289 -3.159 1.00 0.00 H +ATOM 152 HD3 LYS A 8 -3.770 -8.185 -1.708 1.00 0.00 H +ATOM 153 HE2 LYS A 8 -6.094 -9.129 -1.640 1.00 0.00 H +ATOM 154 HE3 LYS A 8 -6.396 -8.398 -3.207 1.00 0.00 H +ATOM 155 HZ1 LYS A 8 -4.519 -9.702 -4.048 1.00 0.00 H +ATOM 156 HZ2 LYS A 8 -4.281 -10.374 -2.570 1.00 0.00 H +ATOM 157 HZ3 LYS A 8 -5.664 -10.700 -3.404 1.00 0.00 H +ATOM 158 N ASP A 9 -1.077 -5.668 -1.169 1.00 0.00 N +ATOM 159 CA ASP A 9 0.212 -6.164 -1.668 1.00 0.00 C +ATOM 160 C ASP A 9 1.207 -6.590 -0.560 1.00 0.00 C +ATOM 161 O ASP A 9 2.261 -7.145 -0.857 1.00 0.00 O +ATOM 162 CB ASP A 9 0.834 -5.084 -2.569 1.00 0.00 C +ATOM 163 CG ASP A 9 1.509 -5.695 -3.797 1.00 0.00 C +ATOM 164 OD1 ASP A 9 0.788 -5.935 -4.790 1.00 0.00 O +ATOM 165 OD2 ASP A 9 2.746 -5.888 -3.742 1.00 0.00 O +ATOM 166 H ASP A 9 -1.310 -4.691 -1.337 1.00 0.00 H +ATOM 167 HA ASP A 9 0.016 -7.046 -2.280 1.00 0.00 H +ATOM 168 HB2 ASP A 9 0.061 -4.414 -2.894 1.00 0.00 H +ATOM 169 HB3 ASP A 9 1.556 -4.497 -1.999 1.00 0.00 H +ATOM 170 N GLY A 10 0.892 -6.349 0.722 1.00 0.00 N +ATOM 171 CA GLY A 10 1.749 -6.664 1.870 1.00 0.00 C +ATOM 172 C GLY A 10 2.432 -5.442 2.495 1.00 0.00 C +ATOM 173 O GLY A 10 3.341 -5.612 3.316 1.00 0.00 O +ATOM 174 H GLY A 10 -0.020 -5.949 0.925 1.00 0.00 H +ATOM 175 HA2 GLY A 10 1.134 -7.131 2.639 1.00 0.00 H +ATOM 176 HA3 GLY A 10 2.517 -7.381 1.579 1.00 0.00 H +ATOM 177 N GLY A 11 2.030 -4.224 2.106 1.00 0.00 N +ATOM 178 CA GLY A 11 2.562 -2.956 2.594 1.00 0.00 C +ATOM 179 C GLY A 11 4.077 -2.849 2.377 1.00 0.00 C +ATOM 180 O GLY A 11 4.519 -2.945 1.227 1.00 0.00 O +ATOM 181 H GLY A 11 1.324 -4.158 1.376 1.00 0.00 H +ATOM 182 HA2 GLY A 11 2.087 -2.147 2.042 1.00 0.00 H +ATOM 183 HA3 GLY A 11 2.297 -2.847 3.642 1.00 0.00 H +ATOM 184 N PRO A 12 4.898 -2.704 3.442 1.00 0.00 N +ATOM 185 CA PRO A 12 6.359 -2.670 3.324 1.00 0.00 C +ATOM 186 C PRO A 12 6.945 -3.880 2.582 1.00 0.00 C +ATOM 187 O PRO A 12 7.983 -3.757 1.936 1.00 0.00 O +ATOM 188 CB PRO A 12 6.900 -2.604 4.759 1.00 0.00 C +ATOM 189 CG PRO A 12 5.728 -2.068 5.577 1.00 0.00 C +ATOM 190 CD PRO A 12 4.512 -2.626 4.845 1.00 0.00 C +ATOM 191 HA PRO A 12 6.641 -1.759 2.794 1.00 0.00 H +ATOM 192 HB2 PRO A 12 7.189 -3.579 5.102 1.00 0.00 H +ATOM 193 HB3 PRO A 12 7.769 -1.950 4.830 1.00 0.00 H +ATOM 194 HG2 PRO A 12 5.767 -2.427 6.588 1.00 0.00 H +ATOM 195 HG3 PRO A 12 5.715 -0.978 5.530 1.00 0.00 H +ATOM 196 HD2 PRO A 12 4.264 -3.600 5.220 1.00 0.00 H +ATOM 197 HD3 PRO A 12 3.657 -1.969 5.001 1.00 0.00 H +ATOM 198 N SER A 13 6.257 -5.031 2.623 1.00 0.00 N +ATOM 199 CA SER A 13 6.670 -6.282 1.972 1.00 0.00 C +ATOM 200 C SER A 13 6.824 -6.145 0.453 1.00 0.00 C +ATOM 201 O SER A 13 7.646 -6.844 -0.133 1.00 0.00 O +ATOM 202 CB SER A 13 5.666 -7.410 2.245 1.00 0.00 C +ATOM 203 OG SER A 13 5.190 -7.395 3.578 1.00 0.00 O +ATOM 204 H SER A 13 5.393 -5.044 3.149 1.00 0.00 H +ATOM 205 HA SER A 13 7.634 -6.578 2.384 1.00 0.00 H +ATOM 206 HB2 SER A 13 4.832 -7.298 1.579 1.00 0.00 H +ATOM 207 HB3 SER A 13 6.147 -8.369 2.042 1.00 0.00 H +ATOM 208 HG SER A 13 4.440 -6.757 3.610 1.00 0.00 H +ATOM 209 N SER A 14 6.065 -5.236 -0.178 1.00 0.00 N +ATOM 210 CA SER A 14 6.173 -4.951 -1.616 1.00 0.00 C +ATOM 211 C SER A 14 7.384 -4.059 -1.960 1.00 0.00 C +ATOM 212 O SER A 14 7.680 -3.817 -3.128 1.00 0.00 O +ATOM 213 CB SER A 14 4.873 -4.299 -2.106 1.00 0.00 C +ATOM 214 OG SER A 14 4.686 -4.580 -3.476 1.00 0.00 O +ATOM 215 H SER A 14 5.428 -4.670 0.375 1.00 0.00 H +ATOM 216 HA SER A 14 6.289 -5.897 -2.145 1.00 0.00 H +ATOM 217 HB2 SER A 14 4.045 -4.689 -1.546 1.00 0.00 H +ATOM 218 HB3 SER A 14 4.926 -3.220 -1.965 1.00 0.00 H +ATOM 219 HG SER A 14 3.848 -5.193 -3.590 1.00 0.00 H +ATOM 220 N GLY A 15 8.094 -3.531 -0.951 1.00 0.00 N +ATOM 221 CA GLY A 15 9.291 -2.699 -1.108 1.00 0.00 C +ATOM 222 C GLY A 15 9.020 -1.228 -1.452 1.00 0.00 C +ATOM 223 O GLY A 15 9.943 -0.418 -1.405 1.00 0.00 O +ATOM 224 H GLY A 15 7.836 -3.773 0.003 1.00 0.00 H +ATOM 225 HA2 GLY A 15 9.859 -2.730 -0.178 1.00 0.00 H +ATOM 226 HA3 GLY A 15 9.916 -3.120 -1.896 1.00 0.00 H +ATOM 227 N ARG A 16 7.772 -0.861 -1.777 1.00 0.00 N +ATOM 228 CA ARG A 16 7.352 0.518 -2.058 1.00 0.00 C +ATOM 229 C ARG A 16 6.926 1.233 -0.760 1.00 0.00 C +ATOM 230 O ARG A 16 6.220 0.619 0.040 1.00 0.00 O +ATOM 231 CB ARG A 16 6.203 0.479 -3.084 1.00 0.00 C +ATOM 232 CG ARG A 16 5.906 1.869 -3.663 1.00 0.00 C +ATOM 233 CD ARG A 16 4.859 1.824 -4.784 1.00 0.00 C +ATOM 234 NE ARG A 16 5.035 2.953 -5.722 1.00 0.00 N +ATOM 235 CZ ARG A 16 5.956 3.050 -6.675 1.00 0.00 C +ATOM 236 NH1 ARG A 16 6.818 2.086 -6.908 1.00 0.00 N +ATOM 237 NH2 ARG A 16 6.038 4.130 -7.417 1.00 0.00 N +ATOM 238 H ARG A 16 7.080 -1.599 -1.790 1.00 0.00 H +ATOM 239 HA ARG A 16 8.204 1.035 -2.496 1.00 0.00 H +ATOM 240 HB2 ARG A 16 6.476 -0.180 -3.886 1.00 0.00 H +ATOM 241 HB3 ARG A 16 5.302 0.068 -2.623 1.00 0.00 H +ATOM 242 HG2 ARG A 16 5.541 2.500 -2.875 1.00 0.00 H +ATOM 243 HG3 ARG A 16 6.835 2.270 -4.065 1.00 0.00 H +ATOM 244 HD2 ARG A 16 4.961 0.902 -5.323 1.00 0.00 H +ATOM 245 HD3 ARG A 16 3.862 1.868 -4.338 1.00 0.00 H +ATOM 246 HE ARG A 16 4.410 3.733 -5.609 1.00 0.00 H +ATOM 247 HH11 ARG A 16 6.760 1.254 -6.348 1.00 0.00 H +ATOM 248 HH12 ARG A 16 7.516 2.163 -7.627 1.00 0.00 H +ATOM 249 HH21 ARG A 16 5.407 4.899 -7.273 1.00 0.00 H +ATOM 250 HH22 ARG A 16 6.744 4.192 -8.129 1.00 0.00 H +ATOM 251 N PRO A 17 7.271 2.523 -0.549 1.00 0.00 N +ATOM 252 CA PRO A 17 6.808 3.297 0.611 1.00 0.00 C +ATOM 253 C PRO A 17 5.279 3.519 0.624 1.00 0.00 C +ATOM 254 O PRO A 17 4.632 3.367 -0.415 1.00 0.00 O +ATOM 255 CB PRO A 17 7.573 4.626 0.537 1.00 0.00 C +ATOM 256 CG PRO A 17 7.901 4.777 -0.945 1.00 0.00 C +ATOM 257 CD PRO A 17 8.157 3.337 -1.372 1.00 0.00 C +ATOM 258 HA PRO A 17 7.094 2.768 1.522 1.00 0.00 H +ATOM 259 HB2 PRO A 17 6.961 5.439 0.877 1.00 0.00 H +ATOM 260 HB3 PRO A 17 8.500 4.546 1.107 1.00 0.00 H +ATOM 261 HG2 PRO A 17 7.076 5.201 -1.484 1.00 0.00 H +ATOM 262 HG3 PRO A 17 8.773 5.411 -1.109 1.00 0.00 H +ATOM 263 HD2 PRO A 17 7.927 3.208 -2.412 1.00 0.00 H +ATOM 264 HD3 PRO A 17 9.192 3.067 -1.160 1.00 0.00 H +ATOM 265 N PRO A 18 4.694 3.905 1.780 1.00 0.00 N +ATOM 266 CA PRO A 18 3.255 4.134 1.918 1.00 0.00 C +ATOM 267 C PRO A 18 2.773 5.345 1.089 1.00 0.00 C +ATOM 268 O PRO A 18 3.434 6.387 1.085 1.00 0.00 O +ATOM 269 CB PRO A 18 2.999 4.340 3.415 1.00 0.00 C +ATOM 270 CG PRO A 18 4.345 4.826 3.946 1.00 0.00 C +ATOM 271 CD PRO A 18 5.352 4.088 3.066 1.00 0.00 C +ATOM 272 HA PRO A 18 2.740 3.228 1.610 1.00 0.00 H +ATOM 273 HB2 PRO A 18 2.235 5.077 3.575 1.00 0.00 H +ATOM 274 HB3 PRO A 18 2.750 3.384 3.875 1.00 0.00 H +ATOM 275 HG2 PRO A 18 4.442 5.889 3.834 1.00 0.00 H +ATOM 276 HG3 PRO A 18 4.476 4.586 5.001 1.00 0.00 H +ATOM 277 HD2 PRO A 18 6.245 4.671 2.949 1.00 0.00 H +ATOM 278 HD3 PRO A 18 5.572 3.112 3.500 1.00 0.00 H +ATOM 279 N PRO A 19 1.634 5.227 0.378 1.00 0.00 N +ATOM 280 CA PRO A 19 1.081 6.286 -0.462 1.00 0.00 C +ATOM 281 C PRO A 19 0.140 7.224 0.318 1.00 0.00 C +ATOM 282 O PRO A 19 -0.995 6.854 0.627 1.00 0.00 O +ATOM 283 CB PRO A 19 0.343 5.530 -1.568 1.00 0.00 C +ATOM 284 CG PRO A 19 -0.205 4.301 -0.835 1.00 0.00 C +ATOM 285 CD PRO A 19 0.881 3.994 0.190 1.00 0.00 C +ATOM 286 HA PRO A 19 1.884 6.872 -0.910 1.00 0.00 H +ATOM 287 HB2 PRO A 19 -0.453 6.123 -1.976 1.00 0.00 H +ATOM 288 HB3 PRO A 19 1.059 5.213 -2.327 1.00 0.00 H +ATOM 289 HG2 PRO A 19 -1.137 4.524 -0.353 1.00 0.00 H +ATOM 290 HG3 PRO A 19 -0.362 3.458 -1.502 1.00 0.00 H +ATOM 291 HD2 PRO A 19 0.439 3.685 1.117 1.00 0.00 H +ATOM 292 HD3 PRO A 19 1.543 3.227 -0.214 1.00 0.00 H +ATOM 293 N SER A 20 0.592 8.464 0.558 1.00 0.00 N +ATOM 294 CA SER A 20 -0.080 9.471 1.411 1.00 0.00 C +ATOM 295 C SER A 20 -0.300 8.997 2.863 1.00 0.00 C +ATOM 296 O SER A 20 -1.168 9.604 3.527 1.00 0.00 O +ATOM 297 CB SER A 20 -1.392 9.955 0.771 1.00 0.00 C +ATOM 298 OG SER A 20 -1.109 10.475 -0.508 1.00 0.00 O +ATOM 299 OXT SER A 20 0.428 8.079 3.303 1.00 0.00 O +ATOM 300 H SER A 20 1.561 8.632 0.336 1.00 0.00 H +ATOM 301 HA SER A 20 0.570 10.339 1.493 1.00 0.00 H +ATOM 302 HB2 SER A 20 -2.075 9.132 0.683 1.00 0.00 H +ATOM 303 HB3 SER A 20 -1.847 10.731 1.390 1.00 0.00 H +ATOM 304 HG SER A 20 -0.488 9.864 -0.909 1.00 0.00 H +TER 305 SER A 20 +ENDMDL +MODEL 26 +ATOM 1 N ASN A 1 -6.391 7.510 1.067 1.00 0.00 N +ATOM 2 CA ASN A 1 -7.401 6.806 0.244 1.00 0.00 C +ATOM 3 C ASN A 1 -6.844 5.505 -0.338 1.00 0.00 C +ATOM 4 O ASN A 1 -7.312 4.446 0.047 1.00 0.00 O +ATOM 5 CB ASN A 1 -8.052 7.731 -0.811 1.00 0.00 C +ATOM 6 CG ASN A 1 -9.488 7.309 -1.115 1.00 0.00 C +ATOM 7 OD1 ASN A 1 -10.112 6.606 -0.339 1.00 0.00 O +ATOM 8 ND2 ASN A 1 -10.066 7.738 -2.223 1.00 0.00 N +ATOM 9 H1 ASN A 1 -5.984 6.869 1.737 1.00 0.00 H +ATOM 10 H2 ASN A 1 -5.657 7.891 0.486 1.00 0.00 H +ATOM 11 H3 ASN A 1 -6.829 8.267 1.573 1.00 0.00 H +ATOM 12 HA ASN A 1 -8.203 6.494 0.918 1.00 0.00 H +ATOM 13 HB2 ASN A 1 -8.056 8.737 -0.438 1.00 0.00 H +ATOM 14 HB3 ASN A 1 -7.467 7.735 -1.732 1.00 0.00 H +ATOM 15 HD21 ASN A 1 -9.621 8.342 -2.895 1.00 0.00 H +ATOM 16 HD22 ASN A 1 -11.024 7.438 -2.329 1.00 0.00 H +ATOM 17 N LEU A 2 -5.809 5.545 -1.190 1.00 0.00 N +ATOM 18 CA LEU A 2 -5.260 4.361 -1.876 1.00 0.00 C +ATOM 19 C LEU A 2 -4.455 3.379 -0.984 1.00 0.00 C +ATOM 20 O LEU A 2 -3.894 2.406 -1.484 1.00 0.00 O +ATOM 21 CB LEU A 2 -4.436 4.848 -3.091 1.00 0.00 C +ATOM 22 CG LEU A 2 -4.581 3.949 -4.337 1.00 0.00 C +ATOM 23 CD1 LEU A 2 -5.961 4.101 -4.990 1.00 0.00 C +ATOM 24 CD2 LEU A 2 -3.517 4.307 -5.376 1.00 0.00 C +ATOM 25 H LEU A 2 -5.432 6.430 -1.495 1.00 0.00 H +ATOM 26 HA LEU A 2 -6.112 3.787 -2.244 1.00 0.00 H +ATOM 27 HB2 LEU A 2 -4.762 5.838 -3.347 1.00 0.00 H +ATOM 28 HB3 LEU A 2 -3.385 4.897 -2.803 1.00 0.00 H +ATOM 29 HG LEU A 2 -4.439 2.910 -4.055 1.00 0.00 H +ATOM 30 HD11 LEU A 2 -6.748 3.783 -4.309 1.00 0.00 H +ATOM 31 HD12 LEU A 2 -6.130 5.140 -5.275 1.00 0.00 H +ATOM 32 HD13 LEU A 2 -6.013 3.478 -5.884 1.00 0.00 H +ATOM 33 HD21 LEU A 2 -3.640 5.340 -5.703 1.00 0.00 H +ATOM 34 HD22 LEU A 2 -2.523 4.177 -4.947 1.00 0.00 H +ATOM 35 HD23 LEU A 2 -3.611 3.645 -6.237 1.00 0.00 H +ATOM 36 N TYR A 3 -4.393 3.603 0.335 1.00 0.00 N +ATOM 37 CA TYR A 3 -3.609 2.805 1.286 1.00 0.00 C +ATOM 38 C TYR A 3 -3.980 1.311 1.271 1.00 0.00 C +ATOM 39 O TYR A 3 -3.097 0.457 1.342 1.00 0.00 O +ATOM 40 CB TYR A 3 -3.768 3.413 2.688 1.00 0.00 C +ATOM 41 CG TYR A 3 -2.733 2.956 3.700 1.00 0.00 C +ATOM 42 CD1 TYR A 3 -1.416 3.452 3.615 1.00 0.00 C +ATOM 43 CD2 TYR A 3 -3.089 2.094 4.759 1.00 0.00 C +ATOM 44 CE1 TYR A 3 -0.459 3.085 4.578 1.00 0.00 C +ATOM 45 CE2 TYR A 3 -2.137 1.743 5.737 1.00 0.00 C +ATOM 46 CZ TYR A 3 -0.818 2.240 5.645 1.00 0.00 C +ATOM 47 OH TYR A 3 0.102 1.933 6.600 1.00 0.00 O +ATOM 48 H TYR A 3 -4.931 4.374 0.692 1.00 0.00 H +ATOM 49 HA TYR A 3 -2.558 2.880 1.004 1.00 0.00 H +ATOM 50 HB2 TYR A 3 -3.700 4.480 2.599 1.00 0.00 H +ATOM 51 HB3 TYR A 3 -4.769 3.193 3.064 1.00 0.00 H +ATOM 52 HD1 TYR A 3 -1.140 4.153 2.841 1.00 0.00 H +ATOM 53 HD2 TYR A 3 -4.101 1.723 4.839 1.00 0.00 H +ATOM 54 HE1 TYR A 3 0.543 3.484 4.536 1.00 0.00 H +ATOM 55 HE2 TYR A 3 -2.415 1.104 6.560 1.00 0.00 H +ATOM 56 HH TYR A 3 -0.304 1.658 7.423 1.00 0.00 H +ATOM 57 N ILE A 4 -5.271 0.979 1.105 1.00 0.00 N +ATOM 58 CA ILE A 4 -5.754 -0.410 1.022 1.00 0.00 C +ATOM 59 C ILE A 4 -5.089 -1.175 -0.139 1.00 0.00 C +ATOM 60 O ILE A 4 -4.712 -2.334 0.030 1.00 0.00 O +ATOM 61 CB ILE A 4 -7.299 -0.466 0.907 1.00 0.00 C +ATOM 62 CG1 ILE A 4 -8.026 0.325 2.026 1.00 0.00 C +ATOM 63 CG2 ILE A 4 -7.790 -1.925 0.951 1.00 0.00 C +ATOM 64 CD1 ILE A 4 -8.616 1.639 1.507 1.00 0.00 C +ATOM 65 H ILE A 4 -5.941 1.734 1.048 1.00 0.00 H +ATOM 66 HA ILE A 4 -5.466 -0.915 1.945 1.00 0.00 H +ATOM 67 HB ILE A 4 -7.586 -0.056 -0.062 1.00 0.00 H +ATOM 68 HG12 ILE A 4 -8.820 -0.280 2.419 1.00 0.00 H +ATOM 69 HG13 ILE A 4 -7.342 0.536 2.850 1.00 0.00 H +ATOM 70 HG21 ILE A 4 -7.387 -2.483 0.107 1.00 0.00 H +ATOM 71 HG22 ILE A 4 -7.482 -2.388 1.890 1.00 0.00 H +ATOM 72 HG23 ILE A 4 -8.878 -1.947 0.874 1.00 0.00 H +ATOM 73 HD11 ILE A 4 -7.815 2.287 1.164 1.00 0.00 H +ATOM 74 HD12 ILE A 4 -9.304 1.440 0.682 1.00 0.00 H +ATOM 75 HD13 ILE A 4 -9.164 2.137 2.308 1.00 0.00 H +ATOM 76 N GLN A 5 -4.926 -0.531 -1.304 1.00 0.00 N +ATOM 77 CA GLN A 5 -4.245 -1.108 -2.469 1.00 0.00 C +ATOM 78 C GLN A 5 -2.765 -1.396 -2.181 1.00 0.00 C +ATOM 79 O GLN A 5 -2.271 -2.461 -2.542 1.00 0.00 O +ATOM 80 CB GLN A 5 -4.387 -0.170 -3.681 1.00 0.00 C +ATOM 81 CG GLN A 5 -5.621 -0.468 -4.541 1.00 0.00 C +ATOM 82 CD GLN A 5 -5.458 -1.776 -5.310 1.00 0.00 C +ATOM 83 OE1 GLN A 5 -4.686 -1.876 -6.248 1.00 0.00 O +ATOM 84 NE2 GLN A 5 -6.163 -2.827 -4.942 1.00 0.00 N +ATOM 85 H GLN A 5 -5.175 0.448 -1.343 1.00 0.00 H +ATOM 86 HA GLN A 5 -4.705 -2.066 -2.705 1.00 0.00 H +ATOM 87 HB2 GLN A 5 -4.457 0.839 -3.324 1.00 0.00 H +ATOM 88 HB3 GLN A 5 -3.501 -0.243 -4.314 1.00 0.00 H +ATOM 89 HG2 GLN A 5 -6.481 -0.542 -3.904 1.00 0.00 H +ATOM 90 HG3 GLN A 5 -5.740 0.337 -5.267 1.00 0.00 H +ATOM 91 HE21 GLN A 5 -6.842 -2.805 -4.203 1.00 0.00 H +ATOM 92 HE22 GLN A 5 -5.976 -3.641 -5.504 1.00 0.00 H +ATOM 93 N TRP A 6 -2.070 -0.489 -1.486 1.00 0.00 N +ATOM 94 CA TRP A 6 -0.694 -0.725 -1.048 1.00 0.00 C +ATOM 95 C TRP A 6 -0.586 -1.880 -0.041 1.00 0.00 C +ATOM 96 O TRP A 6 0.293 -2.734 -0.172 1.00 0.00 O +ATOM 97 CB TRP A 6 -0.120 0.575 -0.487 1.00 0.00 C +ATOM 98 CG TRP A 6 1.275 0.460 0.036 1.00 0.00 C +ATOM 99 CD1 TRP A 6 2.391 0.368 -0.723 1.00 0.00 C +ATOM 100 CD2 TRP A 6 1.722 0.382 1.424 1.00 0.00 C +ATOM 101 NE1 TRP A 6 3.492 0.238 0.099 1.00 0.00 N +ATOM 102 CE2 TRP A 6 3.144 0.266 1.428 1.00 0.00 C +ATOM 103 CE3 TRP A 6 1.079 0.400 2.681 1.00 0.00 C +ATOM 104 CZ2 TRP A 6 3.896 0.202 2.607 1.00 0.00 C +ATOM 105 CZ3 TRP A 6 1.824 0.321 3.875 1.00 0.00 C +ATOM 106 CH2 TRP A 6 3.227 0.234 3.842 1.00 0.00 C +ATOM 107 H TRP A 6 -2.540 0.365 -1.212 1.00 0.00 H +ATOM 108 HA TRP A 6 -0.096 -1.008 -1.916 1.00 0.00 H +ATOM 109 HB2 TRP A 6 -0.125 1.309 -1.269 1.00 0.00 H +ATOM 110 HB3 TRP A 6 -0.758 0.938 0.318 1.00 0.00 H +ATOM 111 HD1 TRP A 6 2.415 0.380 -1.804 1.00 0.00 H +ATOM 112 HE1 TRP A 6 4.461 0.154 -0.221 1.00 0.00 H +ATOM 113 HE3 TRP A 6 0.002 0.485 2.724 1.00 0.00 H +ATOM 114 HZ2 TRP A 6 4.971 0.113 2.553 1.00 0.00 H +ATOM 115 HZ3 TRP A 6 1.315 0.339 4.828 1.00 0.00 H +ATOM 116 HH2 TRP A 6 3.787 0.188 4.764 1.00 0.00 H +ATOM 117 N LEU A 7 -1.509 -1.961 0.928 1.00 0.00 N +ATOM 118 CA LEU A 7 -1.576 -3.104 1.842 1.00 0.00 C +ATOM 119 C LEU A 7 -1.846 -4.428 1.109 1.00 0.00 C +ATOM 120 O LEU A 7 -1.246 -5.436 1.477 1.00 0.00 O +ATOM 121 CB LEU A 7 -2.635 -2.881 2.933 1.00 0.00 C +ATOM 122 CG LEU A 7 -2.340 -1.734 3.917 1.00 0.00 C +ATOM 123 CD1 LEU A 7 -3.514 -1.637 4.896 1.00 0.00 C +ATOM 124 CD2 LEU A 7 -1.050 -1.947 4.717 1.00 0.00 C +ATOM 125 H LEU A 7 -2.179 -1.199 1.017 1.00 0.00 H +ATOM 126 HA LEU A 7 -0.602 -3.218 2.316 1.00 0.00 H +ATOM 127 HB2 LEU A 7 -3.569 -2.670 2.449 1.00 0.00 H +ATOM 128 HB3 LEU A 7 -2.724 -3.804 3.508 1.00 0.00 H +ATOM 129 HG LEU A 7 -2.258 -0.794 3.378 1.00 0.00 H +ATOM 130 HD11 LEU A 7 -4.444 -1.501 4.345 1.00 0.00 H +ATOM 131 HD12 LEU A 7 -3.577 -2.544 5.497 1.00 0.00 H +ATOM 132 HD13 LEU A 7 -3.373 -0.786 5.557 1.00 0.00 H +ATOM 133 HD21 LEU A 7 -1.082 -2.901 5.242 1.00 0.00 H +ATOM 134 HD22 LEU A 7 -0.188 -1.932 4.050 1.00 0.00 H +ATOM 135 HD23 LEU A 7 -0.929 -1.141 5.440 1.00 0.00 H +ATOM 136 N LYS A 8 -2.690 -4.435 0.061 1.00 0.00 N +ATOM 137 CA LYS A 8 -2.971 -5.620 -0.774 1.00 0.00 C +ATOM 138 C LYS A 8 -1.703 -6.283 -1.322 1.00 0.00 C +ATOM 139 O LYS A 8 -1.660 -7.507 -1.400 1.00 0.00 O +ATOM 140 CB LYS A 8 -3.900 -5.260 -1.954 1.00 0.00 C +ATOM 141 CG LYS A 8 -5.270 -5.950 -1.934 1.00 0.00 C +ATOM 142 CD LYS A 8 -6.299 -5.296 -1.003 1.00 0.00 C +ATOM 143 CE LYS A 8 -6.225 -5.825 0.432 1.00 0.00 C +ATOM 144 NZ LYS A 8 -7.472 -5.522 1.173 1.00 0.00 N +ATOM 145 H LYS A 8 -3.165 -3.561 -0.155 1.00 0.00 H +ATOM 146 HA LYS A 8 -3.442 -6.380 -0.153 1.00 0.00 H +ATOM 147 HB2 LYS A 8 -4.061 -4.199 -1.939 1.00 0.00 H +ATOM 148 HB3 LYS A 8 -3.414 -5.561 -2.885 1.00 0.00 H +ATOM 149 HG2 LYS A 8 -5.666 -5.938 -2.931 1.00 0.00 H +ATOM 150 HG3 LYS A 8 -5.158 -7.008 -1.693 1.00 0.00 H +ATOM 151 HD2 LYS A 8 -6.123 -4.238 -0.987 1.00 0.00 H +ATOM 152 HD3 LYS A 8 -7.289 -5.514 -1.408 1.00 0.00 H +ATOM 153 HE2 LYS A 8 -6.080 -6.888 0.407 1.00 0.00 H +ATOM 154 HE3 LYS A 8 -5.360 -5.380 0.933 1.00 0.00 H +ATOM 155 HZ1 LYS A 8 -7.622 -4.522 1.214 1.00 0.00 H +ATOM 156 HZ2 LYS A 8 -8.262 -5.946 0.705 1.00 0.00 H +ATOM 157 HZ3 LYS A 8 -7.423 -5.889 2.114 1.00 0.00 H +ATOM 158 N ASP A 9 -0.697 -5.489 -1.696 1.00 0.00 N +ATOM 159 CA ASP A 9 0.578 -5.995 -2.210 1.00 0.00 C +ATOM 160 C ASP A 9 1.430 -6.676 -1.116 1.00 0.00 C +ATOM 161 O ASP A 9 2.217 -7.569 -1.419 1.00 0.00 O +ATOM 162 CB ASP A 9 1.320 -4.822 -2.871 1.00 0.00 C +ATOM 163 CG ASP A 9 2.419 -5.299 -3.819 1.00 0.00 C +ATOM 164 OD1 ASP A 9 3.520 -5.598 -3.301 1.00 0.00 O +ATOM 165 OD2 ASP A 9 2.157 -5.333 -5.040 1.00 0.00 O +ATOM 166 H ASP A 9 -0.826 -4.488 -1.630 1.00 0.00 H +ATOM 167 HA ASP A 9 0.373 -6.742 -2.979 1.00 0.00 H +ATOM 168 HB2 ASP A 9 0.614 -4.235 -3.427 1.00 0.00 H +ATOM 169 HB3 ASP A 9 1.750 -4.177 -2.102 1.00 0.00 H +ATOM 170 N GLY A 10 1.241 -6.295 0.157 1.00 0.00 N +ATOM 171 CA GLY A 10 2.072 -6.717 1.292 1.00 0.00 C +ATOM 172 C GLY A 10 2.600 -5.567 2.160 1.00 0.00 C +ATOM 173 O GLY A 10 3.329 -5.819 3.122 1.00 0.00 O +ATOM 174 H GLY A 10 0.439 -5.705 0.348 1.00 0.00 H +ATOM 175 HA2 GLY A 10 1.481 -7.376 1.928 1.00 0.00 H +ATOM 176 HA3 GLY A 10 2.933 -7.279 0.931 1.00 0.00 H +ATOM 177 N GLY A 11 2.242 -4.309 1.862 1.00 0.00 N +ATOM 178 CA GLY A 11 2.640 -3.145 2.653 1.00 0.00 C +ATOM 179 C GLY A 11 4.171 -3.021 2.779 1.00 0.00 C +ATOM 180 O GLY A 11 4.857 -3.010 1.755 1.00 0.00 O +ATOM 181 H GLY A 11 1.703 -4.147 1.019 1.00 0.00 H +ATOM 182 HA2 GLY A 11 2.262 -2.248 2.167 1.00 0.00 H +ATOM 183 HA3 GLY A 11 2.174 -3.222 3.633 1.00 0.00 H +ATOM 184 N PRO A 12 4.750 -2.936 3.998 1.00 0.00 N +ATOM 185 CA PRO A 12 6.203 -2.848 4.176 1.00 0.00 C +ATOM 186 C PRO A 12 6.986 -3.997 3.521 1.00 0.00 C +ATOM 187 O PRO A 12 8.127 -3.802 3.103 1.00 0.00 O +ATOM 188 CB PRO A 12 6.446 -2.831 5.690 1.00 0.00 C +ATOM 189 CG PRO A 12 5.113 -2.378 6.278 1.00 0.00 C +ATOM 190 CD PRO A 12 4.086 -2.931 5.293 1.00 0.00 C +ATOM 191 HA PRO A 12 6.548 -1.905 3.749 1.00 0.00 H +ATOM 192 HB2 PRO A 12 6.705 -3.810 6.045 1.00 0.00 H +ATOM 193 HB3 PRO A 12 7.253 -2.148 5.957 1.00 0.00 H +ATOM 194 HG2 PRO A 12 4.966 -2.790 7.258 1.00 0.00 H +ATOM 195 HG3 PRO A 12 5.066 -1.289 6.283 1.00 0.00 H +ATOM 196 HD2 PRO A 12 3.799 -3.927 5.571 1.00 0.00 H +ATOM 197 HD3 PRO A 12 3.196 -2.303 5.294 1.00 0.00 H +ATOM 198 N SER A 13 6.377 -5.184 3.397 1.00 0.00 N +ATOM 199 CA SER A 13 6.999 -6.365 2.789 1.00 0.00 C +ATOM 200 C SER A 13 7.090 -6.294 1.255 1.00 0.00 C +ATOM 201 O SER A 13 7.691 -7.181 0.653 1.00 0.00 O +ATOM 202 CB SER A 13 6.253 -7.630 3.234 1.00 0.00 C +ATOM 203 OG SER A 13 6.246 -7.721 4.648 1.00 0.00 O +ATOM 204 H SER A 13 5.417 -5.288 3.715 1.00 0.00 H +ATOM 205 HA SER A 13 8.023 -6.439 3.156 1.00 0.00 H +ATOM 206 HB2 SER A 13 5.242 -7.590 2.876 1.00 0.00 H +ATOM 207 HB3 SER A 13 6.749 -8.510 2.826 1.00 0.00 H +ATOM 208 HG SER A 13 7.152 -7.694 4.967 1.00 0.00 H +ATOM 209 N SER A 14 6.547 -5.244 0.623 1.00 0.00 N +ATOM 210 CA SER A 14 6.546 -5.037 -0.834 1.00 0.00 C +ATOM 211 C SER A 14 7.710 -4.195 -1.366 1.00 0.00 C +ATOM 212 O SER A 14 7.806 -3.980 -2.574 1.00 0.00 O +ATOM 213 CB SER A 14 5.255 -4.326 -1.232 1.00 0.00 C +ATOM 214 OG SER A 14 4.168 -5.191 -1.045 1.00 0.00 O +ATOM 215 H SER A 14 6.016 -4.575 1.174 1.00 0.00 H +ATOM 216 HA SER A 14 6.572 -6.003 -1.341 1.00 0.00 H +ATOM 217 HB2 SER A 14 5.126 -3.452 -0.623 1.00 0.00 H +ATOM 218 HB3 SER A 14 5.295 -4.054 -2.288 1.00 0.00 H +ATOM 219 HG SER A 14 3.879 -5.451 -2.001 1.00 0.00 H +ATOM 220 N GLY A 15 8.565 -3.636 -0.501 1.00 0.00 N +ATOM 221 CA GLY A 15 9.674 -2.757 -0.898 1.00 0.00 C +ATOM 222 C GLY A 15 9.253 -1.339 -1.324 1.00 0.00 C +ATOM 223 O GLY A 15 9.969 -0.382 -1.033 1.00 0.00 O +ATOM 224 H GLY A 15 8.424 -3.831 0.482 1.00 0.00 H +ATOM 225 HA2 GLY A 15 10.376 -2.674 -0.069 1.00 0.00 H +ATOM 226 HA3 GLY A 15 10.203 -3.214 -1.736 1.00 0.00 H +ATOM 227 N ARG A 16 8.102 -1.178 -1.996 1.00 0.00 N +ATOM 228 CA ARG A 16 7.531 0.125 -2.365 1.00 0.00 C +ATOM 229 C ARG A 16 6.961 0.857 -1.128 1.00 0.00 C +ATOM 230 O ARG A 16 6.215 0.232 -0.372 1.00 0.00 O +ATOM 231 CB ARG A 16 6.442 -0.081 -3.437 1.00 0.00 C +ATOM 232 CG ARG A 16 5.971 1.260 -4.018 1.00 0.00 C +ATOM 233 CD ARG A 16 4.982 1.094 -5.178 1.00 0.00 C +ATOM 234 NE ARG A 16 4.802 2.367 -5.907 1.00 0.00 N +ATOM 235 CZ ARG A 16 5.658 2.919 -6.763 1.00 0.00 C +ATOM 236 NH1 ARG A 16 6.787 2.331 -7.088 1.00 0.00 N +ATOM 237 NH2 ARG A 16 5.400 4.083 -7.311 1.00 0.00 N +ATOM 238 H ARG A 16 7.619 -2.035 -2.253 1.00 0.00 H +ATOM 239 HA ARG A 16 8.340 0.714 -2.794 1.00 0.00 H +ATOM 240 HB2 ARG A 16 6.841 -0.685 -4.229 1.00 0.00 H +ATOM 241 HB3 ARG A 16 5.593 -0.617 -3.009 1.00 0.00 H +ATOM 242 HG2 ARG A 16 5.493 1.822 -3.239 1.00 0.00 H +ATOM 243 HG3 ARG A 16 6.844 1.801 -4.375 1.00 0.00 H +ATOM 244 HD2 ARG A 16 5.357 0.352 -5.856 1.00 0.00 H +ATOM 245 HD3 ARG A 16 4.021 0.765 -4.779 1.00 0.00 H +ATOM 246 HE ARG A 16 3.960 2.882 -5.711 1.00 0.00 H +ATOM 247 HH11 ARG A 16 6.987 1.438 -6.674 1.00 0.00 H +ATOM 248 HH12 ARG A 16 7.437 2.753 -7.728 1.00 0.00 H +ATOM 249 HH21 ARG A 16 4.551 4.572 -7.091 1.00 0.00 H +ATOM 250 HH22 ARG A 16 6.056 4.492 -7.951 1.00 0.00 H +ATOM 251 N PRO A 17 7.229 2.166 -0.931 1.00 0.00 N +ATOM 252 CA PRO A 17 6.645 2.952 0.164 1.00 0.00 C +ATOM 253 C PRO A 17 5.124 3.174 0.002 1.00 0.00 C +ATOM 254 O PRO A 17 4.593 2.997 -1.099 1.00 0.00 O +ATOM 255 CB PRO A 17 7.407 4.284 0.146 1.00 0.00 C +ATOM 256 CG PRO A 17 7.816 4.441 -1.315 1.00 0.00 C +ATOM 257 CD PRO A 17 8.118 3.003 -1.727 1.00 0.00 C +ATOM 258 HA PRO A 17 6.829 2.440 1.109 1.00 0.00 H +ATOM 259 HB2 PRO A 17 6.773 5.093 0.456 1.00 0.00 H +ATOM 260 HB3 PRO A 17 8.301 4.200 0.766 1.00 0.00 H +ATOM 261 HG2 PRO A 17 7.016 4.853 -1.900 1.00 0.00 H +ATOM 262 HG3 PRO A 17 8.685 5.087 -1.430 1.00 0.00 H +ATOM 263 HD2 PRO A 17 7.923 2.865 -2.773 1.00 0.00 H +ATOM 264 HD3 PRO A 17 9.154 2.758 -1.485 1.00 0.00 H +ATOM 265 N PRO A 18 4.413 3.584 1.073 1.00 0.00 N +ATOM 266 CA PRO A 18 2.970 3.822 1.030 1.00 0.00 C +ATOM 267 C PRO A 18 2.594 5.069 0.201 1.00 0.00 C +ATOM 268 O PRO A 18 3.394 5.998 0.089 1.00 0.00 O +ATOM 269 CB PRO A 18 2.538 3.970 2.492 1.00 0.00 C +ATOM 270 CG PRO A 18 3.794 4.489 3.188 1.00 0.00 C +ATOM 271 CD PRO A 18 4.918 3.789 2.425 1.00 0.00 C +ATOM 272 HA PRO A 18 2.489 2.946 0.603 1.00 0.00 H +ATOM 273 HB2 PRO A 18 1.732 4.672 2.584 1.00 0.00 H +ATOM 274 HB3 PRO A 18 2.286 2.991 2.895 1.00 0.00 H +ATOM 275 HG2 PRO A 18 3.872 5.555 3.099 1.00 0.00 H +ATOM 276 HG3 PRO A 18 3.805 4.232 4.248 1.00 0.00 H +ATOM 277 HD2 PRO A 18 5.797 4.405 2.406 1.00 0.00 H +ATOM 278 HD3 PRO A 18 5.127 2.823 2.884 1.00 0.00 H +ATOM 279 N PRO A 19 1.367 5.119 -0.360 1.00 0.00 N +ATOM 280 CA PRO A 19 0.902 6.218 -1.210 1.00 0.00 C +ATOM 281 C PRO A 19 0.393 7.441 -0.434 1.00 0.00 C +ATOM 282 O PRO A 19 0.376 8.539 -0.986 1.00 0.00 O +ATOM 283 CB PRO A 19 -0.244 5.614 -2.031 1.00 0.00 C +ATOM 284 CG PRO A 19 -0.838 4.567 -1.088 1.00 0.00 C +ATOM 285 CD PRO A 19 0.396 4.036 -0.365 1.00 0.00 C +ATOM 286 HA PRO A 19 1.700 6.542 -1.881 1.00 0.00 H +ATOM 287 HB2 PRO A 19 -0.972 6.361 -2.283 1.00 0.00 H +ATOM 288 HB3 PRO A 19 0.161 5.121 -2.915 1.00 0.00 H +ATOM 289 HG2 PRO A 19 -1.529 5.013 -0.399 1.00 0.00 H +ATOM 290 HG3 PRO A 19 -1.356 3.777 -1.634 1.00 0.00 H +ATOM 291 HD2 PRO A 19 0.146 3.757 0.640 1.00 0.00 H +ATOM 292 HD3 PRO A 19 0.819 3.209 -0.930 1.00 0.00 H +ATOM 293 N SER A 20 -0.071 7.250 0.808 1.00 0.00 N +ATOM 294 CA SER A 20 -0.627 8.275 1.694 1.00 0.00 C +ATOM 295 C SER A 20 -0.615 7.810 3.147 1.00 0.00 C +ATOM 296 O SER A 20 -0.310 6.619 3.378 1.00 0.00 O +ATOM 297 CB SER A 20 -2.071 8.593 1.302 1.00 0.00 C +ATOM 298 OG SER A 20 -2.519 9.564 2.220 1.00 0.00 O +ATOM 299 OXT SER A 20 -1.045 8.668 3.958 1.00 0.00 O +ATOM 300 H SER A 20 0.027 6.343 1.249 1.00 0.00 H +ATOM 301 HA SER A 20 -0.028 9.183 1.627 1.00 0.00 H +ATOM 302 HB2 SER A 20 -2.109 8.980 0.302 1.00 0.00 H +ATOM 303 HB3 SER A 20 -2.678 7.692 1.404 1.00 0.00 H +ATOM 304 HG SER A 20 -1.976 9.352 3.052 1.00 0.00 H +TER 305 SER A 20 +ENDMDL +MODEL 27 +ATOM 1 N ASN A 1 -6.891 7.053 0.882 1.00 0.00 N +ATOM 2 CA ASN A 1 -7.783 6.096 0.185 1.00 0.00 C +ATOM 3 C ASN A 1 -7.000 4.934 -0.439 1.00 0.00 C +ATOM 4 O ASN A 1 -7.252 3.795 -0.069 1.00 0.00 O +ATOM 5 CB ASN A 1 -8.741 6.795 -0.802 1.00 0.00 C +ATOM 6 CG ASN A 1 -10.186 6.423 -0.481 1.00 0.00 C +ATOM 7 OD1 ASN A 1 -10.742 5.509 -1.060 1.00 0.00 O +ATOM 8 ND2 ASN A 1 -10.818 7.078 0.477 1.00 0.00 N +ATOM 9 H1 ASN A 1 -6.270 6.561 1.512 1.00 0.00 H +ATOM 10 H2 ASN A 1 -6.341 7.576 0.215 1.00 0.00 H +ATOM 11 H3 ASN A 1 -7.442 7.704 1.424 1.00 0.00 H +ATOM 12 HA ASN A 1 -8.409 5.625 0.947 1.00 0.00 H +ATOM 13 HB2 ASN A 1 -8.621 7.858 -0.720 1.00 0.00 H +ATOM 14 HB3 ASN A 1 -8.526 6.488 -1.827 1.00 0.00 H +ATOM 15 HD21 ASN A 1 -10.460 7.874 0.978 1.00 0.00 H +ATOM 16 HD22 ASN A 1 -11.767 6.760 0.616 1.00 0.00 H +ATOM 17 N LEU A 2 -6.006 5.194 -1.304 1.00 0.00 N +ATOM 18 CA LEU A 2 -5.176 4.163 -1.955 1.00 0.00 C +ATOM 19 C LEU A 2 -4.381 3.236 -1.006 1.00 0.00 C +ATOM 20 O LEU A 2 -3.851 2.217 -1.451 1.00 0.00 O +ATOM 21 CB LEU A 2 -4.228 4.849 -2.968 1.00 0.00 C +ATOM 22 CG LEU A 2 -4.572 4.553 -4.446 1.00 0.00 C +ATOM 23 CD1 LEU A 2 -4.888 5.843 -5.207 1.00 0.00 C +ATOM 24 CD2 LEU A 2 -3.420 3.823 -5.139 1.00 0.00 C +ATOM 25 H LEU A 2 -5.840 6.139 -1.619 1.00 0.00 H +ATOM 26 HA LEU A 2 -5.853 3.499 -2.494 1.00 0.00 H +ATOM 27 HB2 LEU A 2 -4.280 5.910 -2.815 1.00 0.00 H +ATOM 28 HB3 LEU A 2 -3.207 4.517 -2.778 1.00 0.00 H +ATOM 29 HG LEU A 2 -5.453 3.919 -4.507 1.00 0.00 H +ATOM 30 HD11 LEU A 2 -5.757 6.328 -4.763 1.00 0.00 H +ATOM 31 HD12 LEU A 2 -4.034 6.520 -5.172 1.00 0.00 H +ATOM 32 HD13 LEU A 2 -5.113 5.608 -6.248 1.00 0.00 H +ATOM 33 HD21 LEU A 2 -2.521 4.441 -5.130 1.00 0.00 H +ATOM 34 HD22 LEU A 2 -3.217 2.884 -4.623 1.00 0.00 H +ATOM 35 HD23 LEU A 2 -3.691 3.600 -6.170 1.00 0.00 H +ATOM 36 N TYR A 3 -4.322 3.538 0.295 1.00 0.00 N +ATOM 37 CA TYR A 3 -3.630 2.739 1.309 1.00 0.00 C +ATOM 38 C TYR A 3 -4.063 1.261 1.312 1.00 0.00 C +ATOM 39 O TYR A 3 -3.226 0.377 1.478 1.00 0.00 O +ATOM 40 CB TYR A 3 -3.838 3.395 2.684 1.00 0.00 C +ATOM 41 CG TYR A 3 -2.746 3.070 3.682 1.00 0.00 C +ATOM 42 CD1 TYR A 3 -1.555 3.822 3.668 1.00 0.00 C +ATOM 43 CD2 TYR A 3 -2.916 2.041 4.628 1.00 0.00 C +ATOM 44 CE1 TYR A 3 -0.528 3.543 4.588 1.00 0.00 C +ATOM 45 CE2 TYR A 3 -1.889 1.757 5.549 1.00 0.00 C +ATOM 46 CZ TYR A 3 -0.690 2.503 5.526 1.00 0.00 C +ATOM 47 OH TYR A 3 0.302 2.210 6.407 1.00 0.00 O +ATOM 48 H TYR A 3 -4.782 4.379 0.596 1.00 0.00 H +ATOM 49 HA TYR A 3 -2.564 2.767 1.081 1.00 0.00 H +ATOM 50 HB2 TYR A 3 -3.870 4.459 2.551 1.00 0.00 H +ATOM 51 HB3 TYR A 3 -4.808 3.100 3.087 1.00 0.00 H +ATOM 52 HD1 TYR A 3 -1.427 4.632 2.963 1.00 0.00 H +ATOM 53 HD2 TYR A 3 -3.834 1.470 4.653 1.00 0.00 H +ATOM 54 HE1 TYR A 3 0.367 4.148 4.584 1.00 0.00 H +ATOM 55 HE2 TYR A 3 -1.998 0.980 6.291 1.00 0.00 H +ATOM 56 HH TYR A 3 1.068 2.771 6.272 1.00 0.00 H +ATOM 57 N ILE A 4 -5.351 0.975 1.056 1.00 0.00 N +ATOM 58 CA ILE A 4 -5.888 -0.395 0.981 1.00 0.00 C +ATOM 59 C ILE A 4 -5.258 -1.202 -0.170 1.00 0.00 C +ATOM 60 O ILE A 4 -5.000 -2.397 -0.010 1.00 0.00 O +ATOM 61 CB ILE A 4 -7.431 -0.365 0.840 1.00 0.00 C +ATOM 62 CG1 ILE A 4 -8.123 0.422 1.988 1.00 0.00 C +ATOM 63 CG2 ILE A 4 -8.009 -1.791 0.799 1.00 0.00 C +ATOM 64 CD1 ILE A 4 -8.974 1.614 1.515 1.00 0.00 C +ATOM 65 H ILE A 4 -5.981 1.754 0.908 1.00 0.00 H +ATOM 66 HA ILE A 4 -5.641 -0.909 1.910 1.00 0.00 H +ATOM 67 HB ILE A 4 -7.663 0.104 -0.117 1.00 0.00 H +ATOM 68 HG12 ILE A 4 -8.761 -0.255 2.523 1.00 0.00 H +ATOM 69 HG13 ILE A 4 -7.383 0.790 2.700 1.00 0.00 H +ATOM 70 HG21 ILE A 4 -7.689 -2.299 -0.111 1.00 0.00 H +ATOM 71 HG22 ILE A 4 -7.678 -2.350 1.677 1.00 0.00 H +ATOM 72 HG23 ILE A 4 -9.099 -1.748 0.791 1.00 0.00 H +ATOM 73 HD11 ILE A 4 -8.549 2.540 1.901 1.00 0.00 H +ATOM 74 HD12 ILE A 4 -9.023 1.674 0.427 1.00 0.00 H +ATOM 75 HD13 ILE A 4 -9.990 1.511 1.898 1.00 0.00 H +ATOM 76 N GLN A 5 -5.008 -0.559 -1.320 1.00 0.00 N +ATOM 77 CA GLN A 5 -4.326 -1.156 -2.473 1.00 0.00 C +ATOM 78 C GLN A 5 -2.853 -1.433 -2.147 1.00 0.00 C +ATOM 79 O GLN A 5 -2.377 -2.543 -2.369 1.00 0.00 O +ATOM 80 CB GLN A 5 -4.472 -0.240 -3.703 1.00 0.00 C +ATOM 81 CG GLN A 5 -5.830 -0.425 -4.399 1.00 0.00 C +ATOM 82 CD GLN A 5 -6.178 0.770 -5.279 1.00 0.00 C +ATOM 83 OE1 GLN A 5 -5.720 0.909 -6.400 1.00 0.00 O +ATOM 84 NE2 GLN A 5 -7.002 1.685 -4.804 1.00 0.00 N +ATOM 85 H GLN A 5 -5.155 0.443 -1.336 1.00 0.00 H +ATOM 86 HA GLN A 5 -4.787 -2.118 -2.705 1.00 0.00 H +ATOM 87 HB2 GLN A 5 -4.380 0.781 -3.387 1.00 0.00 H +ATOM 88 HB3 GLN A 5 -3.684 -0.462 -4.425 1.00 0.00 H +ATOM 89 HG2 GLN A 5 -5.791 -1.307 -5.009 1.00 0.00 H +ATOM 90 HG3 GLN A 5 -6.617 -0.559 -3.656 1.00 0.00 H +ATOM 91 HE21 GLN A 5 -7.431 1.614 -3.898 1.00 0.00 H +ATOM 92 HE22 GLN A 5 -7.199 2.423 -5.458 1.00 0.00 H +ATOM 93 N TRP A 6 -2.147 -0.465 -1.550 1.00 0.00 N +ATOM 94 CA TRP A 6 -0.764 -0.655 -1.100 1.00 0.00 C +ATOM 95 C TRP A 6 -0.620 -1.767 -0.046 1.00 0.00 C +ATOM 96 O TRP A 6 0.292 -2.590 -0.131 1.00 0.00 O +ATOM 97 CB TRP A 6 -0.223 0.670 -0.570 1.00 0.00 C +ATOM 98 CG TRP A 6 1.164 0.588 -0.013 1.00 0.00 C +ATOM 99 CD1 TRP A 6 2.300 0.553 -0.745 1.00 0.00 C +ATOM 100 CD2 TRP A 6 1.583 0.484 1.384 1.00 0.00 C +ATOM 101 NE1 TRP A 6 3.385 0.445 0.101 1.00 0.00 N +ATOM 102 CE2 TRP A 6 3.006 0.404 1.417 1.00 0.00 C +ATOM 103 CE3 TRP A 6 0.917 0.446 2.628 1.00 0.00 C +ATOM 104 CZ2 TRP A 6 3.739 0.321 2.605 1.00 0.00 C +ATOM 105 CZ3 TRP A 6 1.641 0.345 3.833 1.00 0.00 C +ATOM 106 CH2 TRP A 6 3.047 0.297 3.825 1.00 0.00 C +ATOM 107 H TRP A 6 -2.601 0.431 -1.402 1.00 0.00 H +ATOM 108 HA TRP A 6 -0.156 -0.955 -1.957 1.00 0.00 H +ATOM 109 HB2 TRP A 6 -0.221 1.379 -1.376 1.00 0.00 H +ATOM 110 HB3 TRP A 6 -0.886 1.043 0.211 1.00 0.00 H +ATOM 111 HD1 TRP A 6 2.343 0.604 -1.827 1.00 0.00 H +ATOM 112 HE1 TRP A 6 4.363 0.430 -0.184 1.00 0.00 H +ATOM 113 HE3 TRP A 6 -0.163 0.502 2.652 1.00 0.00 H +ATOM 114 HZ2 TRP A 6 4.818 0.270 2.567 1.00 0.00 H +ATOM 115 HZ3 TRP A 6 1.113 0.309 4.774 1.00 0.00 H +ATOM 116 HH2 TRP A 6 3.594 0.239 4.756 1.00 0.00 H +ATOM 117 N LEU A 7 -1.538 -1.844 0.927 1.00 0.00 N +ATOM 118 CA LEU A 7 -1.586 -2.971 1.862 1.00 0.00 C +ATOM 119 C LEU A 7 -1.803 -4.308 1.137 1.00 0.00 C +ATOM 120 O LEU A 7 -1.174 -5.298 1.515 1.00 0.00 O +ATOM 121 CB LEU A 7 -2.666 -2.743 2.930 1.00 0.00 C +ATOM 122 CG LEU A 7 -2.317 -1.692 4.002 1.00 0.00 C +ATOM 123 CD1 LEU A 7 -3.510 -1.571 4.957 1.00 0.00 C +ATOM 124 CD2 LEU A 7 -1.074 -2.069 4.817 1.00 0.00 C +ATOM 125 H LEU A 7 -2.228 -1.098 1.006 1.00 0.00 H +ATOM 126 HA LEU A 7 -0.615 -3.051 2.349 1.00 0.00 H +ATOM 127 HB2 LEU A 7 -3.562 -2.425 2.433 1.00 0.00 H +ATOM 128 HB3 LEU A 7 -2.847 -3.693 3.438 1.00 0.00 H +ATOM 129 HG LEU A 7 -2.144 -0.726 3.537 1.00 0.00 H +ATOM 130 HD11 LEU A 7 -4.393 -1.251 4.403 1.00 0.00 H +ATOM 131 HD12 LEU A 7 -3.709 -2.532 5.432 1.00 0.00 H +ATOM 132 HD13 LEU A 7 -3.298 -0.838 5.731 1.00 0.00 H +ATOM 133 HD21 LEU A 7 -1.167 -3.087 5.199 1.00 0.00 H +ATOM 134 HD22 LEU A 7 -0.183 -1.995 4.196 1.00 0.00 H +ATOM 135 HD23 LEU A 7 -0.956 -1.382 5.655 1.00 0.00 H +ATOM 136 N LYS A 8 -2.624 -4.342 0.073 1.00 0.00 N +ATOM 137 CA LYS A 8 -2.837 -5.530 -0.770 1.00 0.00 C +ATOM 138 C LYS A 8 -1.539 -6.072 -1.384 1.00 0.00 C +ATOM 139 O LYS A 8 -1.398 -7.286 -1.490 1.00 0.00 O +ATOM 140 CB LYS A 8 -3.851 -5.224 -1.892 1.00 0.00 C +ATOM 141 CG LYS A 8 -4.867 -6.357 -2.133 1.00 0.00 C +ATOM 142 CD LYS A 8 -6.241 -6.033 -1.528 1.00 0.00 C +ATOM 143 CE LYS A 8 -6.193 -5.982 0.004 1.00 0.00 C +ATOM 144 NZ LYS A 8 -7.398 -5.322 0.557 1.00 0.00 N +ATOM 145 H LYS A 8 -3.095 -3.479 -0.180 1.00 0.00 H +ATOM 146 HA LYS A 8 -3.224 -6.323 -0.132 1.00 0.00 H +ATOM 147 HB2 LYS A 8 -4.391 -4.335 -1.628 1.00 0.00 H +ATOM 148 HB3 LYS A 8 -3.307 -5.048 -2.822 1.00 0.00 H +ATOM 149 HG2 LYS A 8 -4.979 -6.503 -3.190 1.00 0.00 H +ATOM 150 HG3 LYS A 8 -4.495 -7.304 -1.740 1.00 0.00 H +ATOM 151 HD2 LYS A 8 -6.567 -5.079 -1.897 1.00 0.00 H +ATOM 152 HD3 LYS A 8 -6.954 -6.797 -1.840 1.00 0.00 H +ATOM 153 HE2 LYS A 8 -6.136 -6.983 0.386 1.00 0.00 H +ATOM 154 HE3 LYS A 8 -5.303 -5.427 0.313 1.00 0.00 H +ATOM 155 HZ1 LYS A 8 -7.411 -4.352 0.270 1.00 0.00 H +ATOM 156 HZ2 LYS A 8 -8.235 -5.778 0.219 1.00 0.00 H +ATOM 157 HZ3 LYS A 8 -7.387 -5.360 1.567 1.00 0.00 H +ATOM 158 N ASP A 9 -0.586 -5.196 -1.733 1.00 0.00 N +ATOM 159 CA ASP A 9 0.742 -5.596 -2.224 1.00 0.00 C +ATOM 160 C ASP A 9 1.596 -6.294 -1.144 1.00 0.00 C +ATOM 161 O ASP A 9 2.602 -6.919 -1.489 1.00 0.00 O +ATOM 162 CB ASP A 9 1.544 -4.384 -2.750 1.00 0.00 C +ATOM 163 CG ASP A 9 0.978 -3.644 -3.968 1.00 0.00 C +ATOM 164 OD1 ASP A 9 0.247 -4.280 -4.760 1.00 0.00 O +ATOM 165 OD2 ASP A 9 1.381 -2.472 -4.162 1.00 0.00 O +ATOM 166 H ASP A 9 -0.811 -4.209 -1.663 1.00 0.00 H +ATOM 167 HA ASP A 9 0.611 -6.302 -3.046 1.00 0.00 H +ATOM 168 HB2 ASP A 9 1.620 -3.675 -1.948 1.00 0.00 H +ATOM 169 HB3 ASP A 9 2.528 -4.743 -3.048 1.00 0.00 H +ATOM 170 N GLY A 10 1.242 -6.171 0.145 1.00 0.00 N +ATOM 171 CA GLY A 10 2.030 -6.642 1.290 1.00 0.00 C +ATOM 172 C GLY A 10 2.603 -5.520 2.168 1.00 0.00 C +ATOM 173 O GLY A 10 3.419 -5.803 3.047 1.00 0.00 O +ATOM 174 H GLY A 10 0.348 -5.733 0.351 1.00 0.00 H +ATOM 175 HA2 GLY A 10 1.391 -7.260 1.920 1.00 0.00 H +ATOM 176 HA3 GLY A 10 2.859 -7.262 0.950 1.00 0.00 H +ATOM 177 N GLY A 11 2.213 -4.255 1.949 1.00 0.00 N +ATOM 178 CA GLY A 11 2.700 -3.121 2.734 1.00 0.00 C +ATOM 179 C GLY A 11 4.238 -3.008 2.707 1.00 0.00 C +ATOM 180 O GLY A 11 4.830 -3.106 1.626 1.00 0.00 O +ATOM 181 H GLY A 11 1.566 -4.066 1.192 1.00 0.00 H +ATOM 182 HA2 GLY A 11 2.278 -2.203 2.330 1.00 0.00 H +ATOM 183 HA3 GLY A 11 2.340 -3.242 3.755 1.00 0.00 H +ATOM 184 N PRO A 12 4.916 -2.815 3.863 1.00 0.00 N +ATOM 185 CA PRO A 12 6.378 -2.719 3.922 1.00 0.00 C +ATOM 186 C PRO A 12 7.104 -3.938 3.329 1.00 0.00 C +ATOM 187 O PRO A 12 8.203 -3.799 2.793 1.00 0.00 O +ATOM 188 CB PRO A 12 6.739 -2.555 5.405 1.00 0.00 C +ATOM 189 CG PRO A 12 5.447 -2.080 6.062 1.00 0.00 C +ATOM 190 CD PRO A 12 4.360 -2.729 5.208 1.00 0.00 C +ATOM 191 HA PRO A 12 6.689 -1.827 3.377 1.00 0.00 H +ATOM 192 HB2 PRO A 12 7.056 -3.491 5.824 1.00 0.00 H +ATOM 193 HB3 PRO A 12 7.544 -1.832 5.542 1.00 0.00 H +ATOM 194 HG2 PRO A 12 5.388 -2.415 7.080 1.00 0.00 H +ATOM 195 HG3 PRO A 12 5.375 -0.995 5.986 1.00 0.00 H +ATOM 196 HD2 PRO A 12 4.126 -3.708 5.580 1.00 0.00 H +ATOM 197 HD3 PRO A 12 3.453 -2.129 5.244 1.00 0.00 H +ATOM 198 N SER A 13 6.487 -5.126 3.383 1.00 0.00 N +ATOM 199 CA SER A 13 7.062 -6.391 2.910 1.00 0.00 C +ATOM 200 C SER A 13 7.106 -6.523 1.380 1.00 0.00 C +ATOM 201 O SER A 13 7.528 -7.564 0.882 1.00 0.00 O +ATOM 202 CB SER A 13 6.294 -7.570 3.525 1.00 0.00 C +ATOM 203 OG SER A 13 6.273 -7.463 4.938 1.00 0.00 O +ATOM 204 H SER A 13 5.554 -5.180 3.780 1.00 0.00 H +ATOM 205 HA SER A 13 8.093 -6.447 3.259 1.00 0.00 H +ATOM 206 HB2 SER A 13 5.287 -7.567 3.155 1.00 0.00 H +ATOM 207 HB3 SER A 13 6.781 -8.506 3.247 1.00 0.00 H +ATOM 208 HG SER A 13 7.175 -7.487 5.266 1.00 0.00 H +ATOM 209 N SER A 14 6.699 -5.485 0.633 1.00 0.00 N +ATOM 210 CA SER A 14 6.610 -5.482 -0.834 1.00 0.00 C +ATOM 211 C SER A 14 7.584 -4.502 -1.514 1.00 0.00 C +ATOM 212 O SER A 14 7.442 -4.206 -2.702 1.00 0.00 O +ATOM 213 CB SER A 14 5.155 -5.226 -1.232 1.00 0.00 C +ATOM 214 OG SER A 14 4.800 -6.039 -2.327 1.00 0.00 O +ATOM 215 H SER A 14 6.332 -4.681 1.131 1.00 0.00 H +ATOM 216 HA SER A 14 6.872 -6.476 -1.198 1.00 0.00 H +ATOM 217 HB2 SER A 14 4.515 -5.452 -0.401 1.00 0.00 H +ATOM 218 HB3 SER A 14 4.998 -4.181 -1.482 1.00 0.00 H +ATOM 219 HG SER A 14 3.937 -6.470 -2.076 1.00 0.00 H +ATOM 220 N GLY A 15 8.565 -3.977 -0.761 1.00 0.00 N +ATOM 221 CA GLY A 15 9.672 -3.163 -1.282 1.00 0.00 C +ATOM 222 C GLY A 15 9.268 -1.785 -1.820 1.00 0.00 C +ATOM 223 O GLY A 15 9.964 -1.240 -2.674 1.00 0.00 O +ATOM 224 H GLY A 15 8.599 -4.262 0.210 1.00 0.00 H +ATOM 225 HA2 GLY A 15 10.403 -3.009 -0.487 1.00 0.00 H +ATOM 226 HA3 GLY A 15 10.168 -3.709 -2.087 1.00 0.00 H +ATOM 227 N ARG A 16 8.140 -1.233 -1.349 1.00 0.00 N +ATOM 228 CA ARG A 16 7.498 -0.025 -1.884 1.00 0.00 C +ATOM 229 C ARG A 16 6.929 0.860 -0.758 1.00 0.00 C +ATOM 230 O ARG A 16 6.271 0.329 0.139 1.00 0.00 O +ATOM 231 CB ARG A 16 6.407 -0.441 -2.895 1.00 0.00 C +ATOM 232 CG ARG A 16 5.361 -1.404 -2.301 1.00 0.00 C +ATOM 233 CD ARG A 16 4.279 -1.827 -3.291 1.00 0.00 C +ATOM 234 NE ARG A 16 4.779 -2.819 -4.260 1.00 0.00 N +ATOM 235 CZ ARG A 16 4.349 -2.952 -5.509 1.00 0.00 C +ATOM 236 NH1 ARG A 16 3.327 -2.269 -5.969 1.00 0.00 N +ATOM 237 NH2 ARG A 16 4.939 -3.800 -6.319 1.00 0.00 N +ATOM 238 H ARG A 16 7.655 -1.742 -0.622 1.00 0.00 H +ATOM 239 HA ARG A 16 8.255 0.540 -2.429 1.00 0.00 H +ATOM 240 HB2 ARG A 16 5.902 0.443 -3.234 1.00 0.00 H +ATOM 241 HB3 ARG A 16 6.890 -0.927 -3.745 1.00 0.00 H +ATOM 242 HG2 ARG A 16 5.869 -2.285 -1.958 1.00 0.00 H +ATOM 243 HG3 ARG A 16 4.860 -0.926 -1.472 1.00 0.00 H +ATOM 244 HD2 ARG A 16 3.459 -2.256 -2.747 1.00 0.00 H +ATOM 245 HD3 ARG A 16 3.903 -0.939 -3.800 1.00 0.00 H +ATOM 246 HE ARG A 16 5.524 -3.428 -3.947 1.00 0.00 H +ATOM 247 HH11 ARG A 16 2.617 -2.056 -5.244 1.00 0.00 H +ATOM 248 HH12 ARG A 16 3.019 -2.337 -6.918 1.00 0.00 H +ATOM 249 HH21 ARG A 16 5.659 -4.401 -5.958 1.00 0.00 H +ATOM 250 HH22 ARG A 16 4.587 -3.922 -7.250 1.00 0.00 H +ATOM 251 N PRO A 17 7.128 2.192 -0.787 1.00 0.00 N +ATOM 252 CA PRO A 17 6.585 3.097 0.228 1.00 0.00 C +ATOM 253 C PRO A 17 5.060 3.276 0.076 1.00 0.00 C +ATOM 254 O PRO A 17 4.523 3.016 -1.003 1.00 0.00 O +ATOM 255 CB PRO A 17 7.327 4.419 0.005 1.00 0.00 C +ATOM 256 CG PRO A 17 7.594 4.418 -1.499 1.00 0.00 C +ATOM 257 CD PRO A 17 7.848 2.945 -1.807 1.00 0.00 C +ATOM 258 HA PRO A 17 6.811 2.711 1.221 1.00 0.00 H +ATOM 259 HB2 PRO A 17 6.717 5.255 0.287 1.00 0.00 H +ATOM 260 HB3 PRO A 17 8.275 4.397 0.543 1.00 0.00 H +ATOM 261 HG2 PRO A 17 6.743 4.783 -2.041 1.00 0.00 H +ATOM 262 HG3 PRO A 17 8.452 5.039 -1.758 1.00 0.00 H +ATOM 263 HD2 PRO A 17 7.478 2.699 -2.783 1.00 0.00 H +ATOM 264 HD3 PRO A 17 8.915 2.731 -1.732 1.00 0.00 H +ATOM 265 N PRO A 18 4.352 3.730 1.131 1.00 0.00 N +ATOM 266 CA PRO A 18 2.910 3.955 1.082 1.00 0.00 C +ATOM 267 C PRO A 18 2.524 5.163 0.203 1.00 0.00 C +ATOM 268 O PRO A 18 3.330 6.074 0.016 1.00 0.00 O +ATOM 269 CB PRO A 18 2.481 4.156 2.540 1.00 0.00 C +ATOM 270 CG PRO A 18 3.734 4.715 3.207 1.00 0.00 C +ATOM 271 CD PRO A 18 4.864 4.002 2.467 1.00 0.00 C +ATOM 272 HA PRO A 18 2.431 3.060 0.690 1.00 0.00 H +ATOM 273 HB2 PRO A 18 1.667 4.852 2.608 1.00 0.00 H +ATOM 274 HB3 PRO A 18 2.235 3.190 2.981 1.00 0.00 H +ATOM 275 HG2 PRO A 18 3.798 5.778 3.077 1.00 0.00 H +ATOM 276 HG3 PRO A 18 3.753 4.504 4.277 1.00 0.00 H +ATOM 277 HD2 PRO A 18 5.732 4.631 2.414 1.00 0.00 H +ATOM 278 HD3 PRO A 18 5.090 3.058 2.966 1.00 0.00 H +ATOM 279 N PRO A 19 1.275 5.206 -0.306 1.00 0.00 N +ATOM 280 CA PRO A 19 0.771 6.284 -1.164 1.00 0.00 C +ATOM 281 C PRO A 19 0.330 7.537 -0.389 1.00 0.00 C +ATOM 282 O PRO A 19 0.160 8.598 -0.988 1.00 0.00 O +ATOM 283 CB PRO A 19 -0.429 5.664 -1.889 1.00 0.00 C +ATOM 284 CG PRO A 19 -0.979 4.669 -0.864 1.00 0.00 C +ATOM 285 CD PRO A 19 0.284 4.149 -0.189 1.00 0.00 C +ATOM 286 HA PRO A 19 1.528 6.574 -1.894 1.00 0.00 H +ATOM 287 HB2 PRO A 19 -1.160 6.411 -2.131 1.00 0.00 H +ATOM 288 HB3 PRO A 19 -0.083 5.121 -2.771 1.00 0.00 H +ATOM 289 HG2 PRO A 19 -1.622 5.157 -0.157 1.00 0.00 H +ATOM 290 HG3 PRO A 19 -1.531 3.860 -1.339 1.00 0.00 H +ATOM 291 HD2 PRO A 19 0.091 3.933 0.844 1.00 0.00 H +ATOM 292 HD3 PRO A 19 0.650 3.279 -0.729 1.00 0.00 H +ATOM 293 N SER A 20 0.116 7.403 0.925 1.00 0.00 N +ATOM 294 CA SER A 20 -0.336 8.429 1.868 1.00 0.00 C +ATOM 295 C SER A 20 0.288 8.158 3.235 1.00 0.00 C +ATOM 296 O SER A 20 1.091 8.990 3.697 1.00 0.00 O +ATOM 297 CB SER A 20 -1.868 8.401 1.974 1.00 0.00 C +ATOM 298 OG SER A 20 -2.214 7.177 2.590 1.00 0.00 O +ATOM 299 OXT SER A 20 -0.112 7.093 3.776 1.00 0.00 O +ATOM 300 H SER A 20 0.272 6.489 1.323 1.00 0.00 H +ATOM 301 HA SER A 20 -0.007 9.414 1.535 1.00 0.00 H +ATOM 302 HB2 SER A 20 -2.212 9.224 2.570 1.00 0.00 H +ATOM 303 HB3 SER A 20 -2.324 8.479 0.986 1.00 0.00 H +ATOM 304 HG SER A 20 -1.394 7.015 3.184 1.00 0.00 H +TER 305 SER A 20 +ENDMDL +MODEL 28 +ATOM 1 N ASN A 1 -4.637 8.314 0.281 1.00 0.00 N +ATOM 2 CA ASN A 1 -5.414 7.451 -0.654 1.00 0.00 C +ATOM 3 C ASN A 1 -4.552 6.258 -1.103 1.00 0.00 C +ATOM 4 O ASN A 1 -3.410 6.182 -0.671 1.00 0.00 O +ATOM 5 CB ASN A 1 -5.986 8.274 -1.830 1.00 0.00 C +ATOM 6 CG ASN A 1 -7.060 7.510 -2.606 1.00 0.00 C +ATOM 7 OD1 ASN A 1 -7.598 6.525 -2.122 1.00 0.00 O +ATOM 8 ND2 ASN A 1 -7.361 7.888 -3.833 1.00 0.00 N +ATOM 9 H1 ASN A 1 -4.274 7.750 1.038 1.00 0.00 H +ATOM 10 H2 ASN A 1 -3.845 8.730 -0.193 1.00 0.00 H +ATOM 11 H3 ASN A 1 -5.220 9.048 0.659 1.00 0.00 H +ATOM 12 HA ASN A 1 -6.264 7.034 -0.107 1.00 0.00 H +ATOM 13 HB2 ASN A 1 -6.417 9.177 -1.442 1.00 0.00 H +ATOM 14 HB3 ASN A 1 -5.178 8.555 -2.505 1.00 0.00 H +ATOM 15 HD21 ASN A 1 -6.930 8.673 -4.294 1.00 0.00 H +ATOM 16 HD22 ASN A 1 -8.069 7.331 -4.288 1.00 0.00 H +ATOM 17 N LEU A 2 -5.081 5.309 -1.895 1.00 0.00 N +ATOM 18 CA LEU A 2 -4.421 4.095 -2.428 1.00 0.00 C +ATOM 19 C LEU A 2 -3.907 3.086 -1.373 1.00 0.00 C +ATOM 20 O LEU A 2 -3.438 2.004 -1.727 1.00 0.00 O +ATOM 21 CB LEU A 2 -3.323 4.462 -3.461 1.00 0.00 C +ATOM 22 CG LEU A 2 -3.852 4.852 -4.858 1.00 0.00 C +ATOM 23 CD1 LEU A 2 -4.240 6.330 -4.955 1.00 0.00 C +ATOM 24 CD2 LEU A 2 -2.790 4.587 -5.929 1.00 0.00 C +ATOM 25 H LEU A 2 -6.060 5.437 -2.149 1.00 0.00 H +ATOM 26 HA LEU A 2 -5.183 3.538 -2.975 1.00 0.00 H +ATOM 27 HB2 LEU A 2 -2.763 5.291 -3.073 1.00 0.00 H +ATOM 28 HB3 LEU A 2 -2.689 3.583 -3.592 1.00 0.00 H +ATOM 29 HG LEU A 2 -4.724 4.242 -5.093 1.00 0.00 H +ATOM 30 HD11 LEU A 2 -5.010 6.557 -4.229 1.00 0.00 H +ATOM 31 HD12 LEU A 2 -3.370 6.961 -4.774 1.00 0.00 H +ATOM 32 HD13 LEU A 2 -4.633 6.540 -5.950 1.00 0.00 H +ATOM 33 HD21 LEU A 2 -1.903 5.190 -5.739 1.00 0.00 H +ATOM 34 HD22 LEU A 2 -2.517 3.530 -5.926 1.00 0.00 H +ATOM 35 HD23 LEU A 2 -3.189 4.833 -6.912 1.00 0.00 H +ATOM 36 N TYR A 3 -4.044 3.394 -0.080 1.00 0.00 N +ATOM 37 CA TYR A 3 -3.489 2.632 1.037 1.00 0.00 C +ATOM 38 C TYR A 3 -3.961 1.172 1.078 1.00 0.00 C +ATOM 39 O TYR A 3 -3.161 0.277 1.338 1.00 0.00 O +ATOM 40 CB TYR A 3 -3.815 3.362 2.349 1.00 0.00 C +ATOM 41 CG TYR A 3 -2.670 3.331 3.335 1.00 0.00 C +ATOM 42 CD1 TYR A 3 -2.480 2.213 4.167 1.00 0.00 C +ATOM 43 CD2 TYR A 3 -1.776 4.416 3.400 1.00 0.00 C +ATOM 44 CE1 TYR A 3 -1.407 2.188 5.077 1.00 0.00 C +ATOM 45 CE2 TYR A 3 -0.707 4.403 4.312 1.00 0.00 C +ATOM 46 CZ TYR A 3 -0.523 3.285 5.158 1.00 0.00 C +ATOM 47 OH TYR A 3 0.472 3.267 6.085 1.00 0.00 O +ATOM 48 H TYR A 3 -4.369 4.327 0.113 1.00 0.00 H +ATOM 49 HA TYR A 3 -2.405 2.622 0.917 1.00 0.00 H +ATOM 50 HB2 TYR A 3 -4.046 4.385 2.124 1.00 0.00 H +ATOM 51 HB3 TYR A 3 -4.703 2.925 2.808 1.00 0.00 H +ATOM 52 HD1 TYR A 3 -3.164 1.380 4.111 1.00 0.00 H +ATOM 53 HD2 TYR A 3 -1.914 5.270 2.750 1.00 0.00 H +ATOM 54 HE1 TYR A 3 -1.257 1.345 5.732 1.00 0.00 H +ATOM 55 HE2 TYR A 3 -0.031 5.245 4.351 1.00 0.00 H +ATOM 56 HH TYR A 3 0.616 4.135 6.463 1.00 0.00 H +ATOM 57 N ILE A 4 -5.240 0.915 0.764 1.00 0.00 N +ATOM 58 CA ILE A 4 -5.800 -0.440 0.662 1.00 0.00 C +ATOM 59 C ILE A 4 -5.054 -1.256 -0.409 1.00 0.00 C +ATOM 60 O ILE A 4 -4.725 -2.421 -0.194 1.00 0.00 O +ATOM 61 CB ILE A 4 -7.321 -0.381 0.365 1.00 0.00 C +ATOM 62 CG1 ILE A 4 -8.099 0.508 1.368 1.00 0.00 C +ATOM 63 CG2 ILE A 4 -7.932 -1.793 0.371 1.00 0.00 C +ATOM 64 CD1 ILE A 4 -8.620 1.792 0.710 1.00 0.00 C +ATOM 65 H ILE A 4 -5.837 1.705 0.575 1.00 0.00 H +ATOM 66 HA ILE A 4 -5.656 -0.946 1.618 1.00 0.00 H +ATOM 67 HB ILE A 4 -7.455 0.022 -0.641 1.00 0.00 H +ATOM 68 HG12 ILE A 4 -8.933 -0.049 1.751 1.00 0.00 H +ATOM 69 HG13 ILE A 4 -7.469 0.772 2.219 1.00 0.00 H +ATOM 70 HG21 ILE A 4 -7.495 -2.396 -0.421 1.00 0.00 H +ATOM 71 HG22 ILE A 4 -7.751 -2.278 1.331 1.00 0.00 H +ATOM 72 HG23 ILE A 4 -9.007 -1.735 0.196 1.00 0.00 H +ATOM 73 HD11 ILE A 4 -7.790 2.390 0.335 1.00 0.00 H +ATOM 74 HD12 ILE A 4 -9.288 1.538 -0.114 1.00 0.00 H +ATOM 75 HD13 ILE A 4 -9.178 2.375 1.445 1.00 0.00 H +ATOM 76 N GLN A 5 -4.758 -0.632 -1.557 1.00 0.00 N +ATOM 77 CA GLN A 5 -4.009 -1.246 -2.650 1.00 0.00 C +ATOM 78 C GLN A 5 -2.556 -1.532 -2.257 1.00 0.00 C +ATOM 79 O GLN A 5 -2.056 -2.621 -2.522 1.00 0.00 O +ATOM 80 CB GLN A 5 -4.126 -0.385 -3.921 1.00 0.00 C +ATOM 81 CG GLN A 5 -4.525 -1.255 -5.121 1.00 0.00 C +ATOM 82 CD GLN A 5 -4.816 -0.407 -6.354 1.00 0.00 C +ATOM 83 OE1 GLN A 5 -5.867 0.201 -6.470 1.00 0.00 O +ATOM 84 NE2 GLN A 5 -3.916 -0.347 -7.314 1.00 0.00 N +ATOM 85 H GLN A 5 -4.955 0.358 -1.625 1.00 0.00 H +ATOM 86 HA GLN A 5 -4.460 -2.209 -2.849 1.00 0.00 H +ATOM 87 HB2 GLN A 5 -4.872 0.371 -3.769 1.00 0.00 H +ATOM 88 HB3 GLN A 5 -3.180 0.117 -4.130 1.00 0.00 H +ATOM 89 HG2 GLN A 5 -3.722 -1.931 -5.344 1.00 0.00 H +ATOM 90 HG3 GLN A 5 -5.434 -1.805 -4.876 1.00 0.00 H +ATOM 91 HE21 GLN A 5 -3.043 -0.844 -7.271 1.00 0.00 H +ATOM 92 HE22 GLN A 5 -4.190 0.218 -8.099 1.00 0.00 H +ATOM 93 N TRP A 6 -1.905 -0.591 -1.563 1.00 0.00 N +ATOM 94 CA TRP A 6 -0.573 -0.794 -0.989 1.00 0.00 C +ATOM 95 C TRP A 6 -0.539 -1.937 0.047 1.00 0.00 C +ATOM 96 O TRP A 6 0.365 -2.772 0.016 1.00 0.00 O +ATOM 97 CB TRP A 6 -0.090 0.537 -0.404 1.00 0.00 C +ATOM 98 CG TRP A 6 1.273 0.496 0.209 1.00 0.00 C +ATOM 99 CD1 TRP A 6 2.441 0.483 -0.473 1.00 0.00 C +ATOM 100 CD2 TRP A 6 1.630 0.425 1.623 1.00 0.00 C +ATOM 101 NE1 TRP A 6 3.492 0.396 0.418 1.00 0.00 N +ATOM 102 CE2 TRP A 6 3.053 0.371 1.722 1.00 0.00 C +ATOM 103 CE3 TRP A 6 0.899 0.398 2.830 1.00 0.00 C +ATOM 104 CZ2 TRP A 6 3.719 0.302 2.954 1.00 0.00 C +ATOM 105 CZ3 TRP A 6 1.557 0.314 4.072 1.00 0.00 C +ATOM 106 CH2 TRP A 6 2.961 0.267 4.137 1.00 0.00 C +ATOM 107 H TRP A 6 -2.385 0.292 -1.412 1.00 0.00 H +ATOM 108 HA TRP A 6 0.108 -1.080 -1.790 1.00 0.00 H +ATOM 109 HB2 TRP A 6 -0.079 1.264 -1.193 1.00 0.00 H +ATOM 110 HB3 TRP A 6 -0.793 0.874 0.356 1.00 0.00 H +ATOM 111 HD1 TRP A 6 2.536 0.516 -1.550 1.00 0.00 H +ATOM 112 HE1 TRP A 6 4.475 0.350 0.133 1.00 0.00 H +ATOM 113 HE3 TRP A 6 -0.179 0.447 2.791 1.00 0.00 H +ATOM 114 HZ2 TRP A 6 4.797 0.257 2.979 1.00 0.00 H +ATOM 115 HZ3 TRP A 6 0.979 0.296 4.987 1.00 0.00 H +ATOM 116 HH2 TRP A 6 3.455 0.210 5.097 1.00 0.00 H +ATOM 117 N LEU A 7 -1.539 -2.023 0.936 1.00 0.00 N +ATOM 118 CA LEU A 7 -1.647 -3.114 1.911 1.00 0.00 C +ATOM 119 C LEU A 7 -1.880 -4.491 1.263 1.00 0.00 C +ATOM 120 O LEU A 7 -1.299 -5.464 1.739 1.00 0.00 O +ATOM 121 CB LEU A 7 -2.744 -2.801 2.945 1.00 0.00 C +ATOM 122 CG LEU A 7 -2.387 -1.679 3.942 1.00 0.00 C +ATOM 123 CD1 LEU A 7 -3.618 -1.346 4.787 1.00 0.00 C +ATOM 124 CD2 LEU A 7 -1.248 -2.065 4.893 1.00 0.00 C +ATOM 125 H LEU A 7 -2.229 -1.275 0.955 1.00 0.00 H +ATOM 126 HA LEU A 7 -0.693 -3.194 2.432 1.00 0.00 H +ATOM 127 HB2 LEU A 7 -3.630 -2.508 2.415 1.00 0.00 H +ATOM 128 HB3 LEU A 7 -2.953 -3.706 3.517 1.00 0.00 H +ATOM 129 HG LEU A 7 -2.088 -0.784 3.401 1.00 0.00 H +ATOM 130 HD11 LEU A 7 -4.425 -0.996 4.140 1.00 0.00 H +ATOM 131 HD12 LEU A 7 -3.951 -2.230 5.330 1.00 0.00 H +ATOM 132 HD13 LEU A 7 -3.378 -0.561 5.504 1.00 0.00 H +ATOM 133 HD21 LEU A 7 -1.499 -2.980 5.429 1.00 0.00 H +ATOM 134 HD22 LEU A 7 -0.325 -2.214 4.336 1.00 0.00 H +ATOM 135 HD23 LEU A 7 -1.082 -1.265 5.612 1.00 0.00 H +ATOM 136 N LYS A 8 -2.664 -4.593 0.174 1.00 0.00 N +ATOM 137 CA LYS A 8 -2.892 -5.859 -0.562 1.00 0.00 C +ATOM 138 C LYS A 8 -1.591 -6.528 -1.022 1.00 0.00 C +ATOM 139 O LYS A 8 -1.477 -7.746 -0.936 1.00 0.00 O +ATOM 140 CB LYS A 8 -3.818 -5.628 -1.769 1.00 0.00 C +ATOM 141 CG LYS A 8 -5.295 -5.486 -1.357 1.00 0.00 C +ATOM 142 CD LYS A 8 -6.116 -4.646 -2.351 1.00 0.00 C +ATOM 143 CE LYS A 8 -6.882 -5.452 -3.401 1.00 0.00 C +ATOM 144 NZ LYS A 8 -7.477 -4.544 -4.411 1.00 0.00 N +ATOM 145 H LYS A 8 -3.145 -3.750 -0.132 1.00 0.00 H +ATOM 146 HA LYS A 8 -3.367 -6.574 0.111 1.00 0.00 H +ATOM 147 HB2 LYS A 8 -3.512 -4.730 -2.271 1.00 0.00 H +ATOM 148 HB3 LYS A 8 -3.736 -6.467 -2.462 1.00 0.00 H +ATOM 149 HG2 LYS A 8 -5.729 -6.465 -1.296 1.00 0.00 H +ATOM 150 HG3 LYS A 8 -5.344 -4.993 -0.387 1.00 0.00 H +ATOM 151 HD2 LYS A 8 -6.826 -4.068 -1.791 1.00 0.00 H +ATOM 152 HD3 LYS A 8 -5.454 -3.961 -2.867 1.00 0.00 H +ATOM 153 HE2 LYS A 8 -6.208 -6.131 -3.888 1.00 0.00 H +ATOM 154 HE3 LYS A 8 -7.667 -6.022 -2.896 1.00 0.00 H +ATOM 155 HZ1 LYS A 8 -8.054 -3.846 -3.961 1.00 0.00 H +ATOM 156 HZ2 LYS A 8 -6.746 -4.071 -4.926 1.00 0.00 H +ATOM 157 HZ3 LYS A 8 -8.047 -5.062 -5.068 1.00 0.00 H +ATOM 158 N ASP A 9 -0.606 -5.739 -1.457 1.00 0.00 N +ATOM 159 CA ASP A 9 0.739 -6.198 -1.825 1.00 0.00 C +ATOM 160 C ASP A 9 1.651 -6.499 -0.611 1.00 0.00 C +ATOM 161 O ASP A 9 2.838 -6.780 -0.797 1.00 0.00 O +ATOM 162 CB ASP A 9 1.370 -5.155 -2.771 1.00 0.00 C +ATOM 163 CG ASP A 9 1.177 -5.531 -4.240 1.00 0.00 C +ATOM 164 OD1 ASP A 9 0.135 -5.136 -4.811 1.00 0.00 O +ATOM 165 OD2 ASP A 9 2.077 -6.215 -4.775 1.00 0.00 O +ATOM 166 H ASP A 9 -0.801 -4.748 -1.533 1.00 0.00 H +ATOM 167 HA ASP A 9 0.652 -7.136 -2.376 1.00 0.00 H +ATOM 168 HB2 ASP A 9 0.911 -4.202 -2.593 1.00 0.00 H +ATOM 169 HB3 ASP A 9 2.441 -5.088 -2.597 1.00 0.00 H +ATOM 170 N GLY A 10 1.167 -6.398 0.637 1.00 0.00 N +ATOM 171 CA GLY A 10 1.944 -6.694 1.851 1.00 0.00 C +ATOM 172 C GLY A 10 2.520 -5.474 2.584 1.00 0.00 C +ATOM 173 O GLY A 10 3.356 -5.650 3.475 1.00 0.00 O +ATOM 174 H GLY A 10 0.189 -6.147 0.762 1.00 0.00 H +ATOM 175 HA2 GLY A 10 1.294 -7.220 2.549 1.00 0.00 H +ATOM 176 HA3 GLY A 10 2.770 -7.362 1.607 1.00 0.00 H +ATOM 177 N GLY A 11 2.100 -4.254 2.229 1.00 0.00 N +ATOM 178 CA GLY A 11 2.528 -2.992 2.832 1.00 0.00 C +ATOM 179 C GLY A 11 4.060 -2.837 2.922 1.00 0.00 C +ATOM 180 O GLY A 11 4.712 -2.686 1.888 1.00 0.00 O +ATOM 181 H GLY A 11 1.508 -4.184 1.407 1.00 0.00 H +ATOM 182 HA2 GLY A 11 2.150 -2.182 2.211 1.00 0.00 H +ATOM 183 HA3 GLY A 11 2.067 -2.896 3.812 1.00 0.00 H +ATOM 184 N PRO A 12 4.678 -2.872 4.125 1.00 0.00 N +ATOM 185 CA PRO A 12 6.137 -2.792 4.262 1.00 0.00 C +ATOM 186 C PRO A 12 6.903 -3.861 3.466 1.00 0.00 C +ATOM 187 O PRO A 12 8.043 -3.629 3.069 1.00 0.00 O +ATOM 188 CB PRO A 12 6.429 -2.936 5.761 1.00 0.00 C +ATOM 189 CG PRO A 12 5.120 -2.531 6.433 1.00 0.00 C +ATOM 190 CD PRO A 12 4.058 -2.991 5.436 1.00 0.00 C +ATOM 191 HA PRO A 12 6.463 -1.808 3.926 1.00 0.00 H +ATOM 192 HB2 PRO A 12 6.685 -3.949 6.004 1.00 0.00 H +ATOM 193 HB3 PRO A 12 7.254 -2.292 6.069 1.00 0.00 H +ATOM 194 HG2 PRO A 12 5.002 -3.028 7.377 1.00 0.00 H +ATOM 195 HG3 PRO A 12 5.080 -1.447 6.534 1.00 0.00 H +ATOM 196 HD2 PRO A 12 3.779 -4.009 5.628 1.00 0.00 H +ATOM 197 HD3 PRO A 12 3.172 -2.363 5.530 1.00 0.00 H +ATOM 198 N SER A 13 6.278 -5.017 3.209 1.00 0.00 N +ATOM 199 CA SER A 13 6.884 -6.142 2.489 1.00 0.00 C +ATOM 200 C SER A 13 6.737 -6.043 0.960 1.00 0.00 C +ATOM 201 O SER A 13 7.147 -6.960 0.254 1.00 0.00 O +ATOM 202 CB SER A 13 6.306 -7.461 3.021 1.00 0.00 C +ATOM 203 OG SER A 13 6.621 -7.599 4.395 1.00 0.00 O +ATOM 204 H SER A 13 5.320 -5.131 3.531 1.00 0.00 H +ATOM 205 HA SER A 13 7.953 -6.155 2.698 1.00 0.00 H +ATOM 206 HB2 SER A 13 5.240 -7.459 2.898 1.00 0.00 H +ATOM 207 HB3 SER A 13 6.742 -8.301 2.479 1.00 0.00 H +ATOM 208 HG SER A 13 5.808 -7.714 4.892 1.00 0.00 H +ATOM 209 N SER A 14 6.176 -4.942 0.434 1.00 0.00 N +ATOM 210 CA SER A 14 5.884 -4.748 -0.996 1.00 0.00 C +ATOM 211 C SER A 14 7.004 -4.076 -1.802 1.00 0.00 C +ATOM 212 O SER A 14 6.860 -3.890 -3.006 1.00 0.00 O +ATOM 213 CB SER A 14 4.636 -3.874 -1.140 1.00 0.00 C +ATOM 214 OG SER A 14 3.598 -4.383 -0.343 1.00 0.00 O +ATOM 215 H SER A 14 5.795 -4.245 1.069 1.00 0.00 H +ATOM 216 HA SER A 14 5.675 -5.716 -1.456 1.00 0.00 H +ATOM 217 HB2 SER A 14 4.865 -2.873 -0.828 1.00 0.00 H +ATOM 218 HB3 SER A 14 4.320 -3.854 -2.182 1.00 0.00 H +ATOM 219 HG SER A 14 3.437 -5.331 -0.578 1.00 0.00 H +ATOM 220 N GLY A 15 8.091 -3.636 -1.156 1.00 0.00 N +ATOM 221 CA GLY A 15 9.222 -2.961 -1.807 1.00 0.00 C +ATOM 222 C GLY A 15 8.979 -1.499 -2.225 1.00 0.00 C +ATOM 223 O GLY A 15 9.937 -0.811 -2.570 1.00 0.00 O +ATOM 224 H GLY A 15 8.136 -3.819 -0.163 1.00 0.00 H +ATOM 225 HA2 GLY A 15 10.080 -2.981 -1.136 1.00 0.00 H +ATOM 226 HA3 GLY A 15 9.494 -3.517 -2.706 1.00 0.00 H +ATOM 227 N ARG A 16 7.733 -1.005 -2.166 1.00 0.00 N +ATOM 228 CA ARG A 16 7.340 0.378 -2.469 1.00 0.00 C +ATOM 229 C ARG A 16 6.864 1.090 -1.189 1.00 0.00 C +ATOM 230 O ARG A 16 6.138 0.469 -0.408 1.00 0.00 O +ATOM 231 CB ARG A 16 6.242 0.351 -3.552 1.00 0.00 C +ATOM 232 CG ARG A 16 5.909 1.749 -4.102 1.00 0.00 C +ATOM 233 CD ARG A 16 4.828 1.696 -5.186 1.00 0.00 C +ATOM 234 NE ARG A 16 4.677 3.011 -5.838 1.00 0.00 N +ATOM 235 CZ ARG A 16 4.080 3.264 -6.997 1.00 0.00 C +ATOM 236 NH1 ARG A 16 3.453 2.326 -7.670 1.00 0.00 N +ATOM 237 NH2 ARG A 16 4.108 4.474 -7.504 1.00 0.00 N +ATOM 238 H ARG A 16 7.011 -1.654 -1.889 1.00 0.00 H +ATOM 239 HA ARG A 16 8.211 0.896 -2.870 1.00 0.00 H +ATOM 240 HB2 ARG A 16 6.577 -0.266 -4.364 1.00 0.00 H +ATOM 241 HB3 ARG A 16 5.337 -0.100 -3.141 1.00 0.00 H +ATOM 242 HG2 ARG A 16 5.561 2.365 -3.295 1.00 0.00 H +ATOM 243 HG3 ARG A 16 6.814 2.176 -4.534 1.00 0.00 H +ATOM 244 HD2 ARG A 16 5.104 0.967 -5.923 1.00 0.00 H +ATOM 245 HD3 ARG A 16 3.881 1.398 -4.732 1.00 0.00 H +ATOM 246 HE ARG A 16 5.099 3.795 -5.368 1.00 0.00 H +ATOM 247 HH11 ARG A 16 3.423 1.404 -7.274 1.00 0.00 H +ATOM 248 HH12 ARG A 16 3.006 2.520 -8.548 1.00 0.00 H +ATOM 249 HH21 ARG A 16 4.586 5.218 -7.026 1.00 0.00 H +ATOM 250 HH22 ARG A 16 3.669 4.656 -8.390 1.00 0.00 H +ATOM 251 N PRO A 17 7.209 2.375 -0.963 1.00 0.00 N +ATOM 252 CA PRO A 17 6.738 3.134 0.201 1.00 0.00 C +ATOM 253 C PRO A 17 5.208 3.346 0.203 1.00 0.00 C +ATOM 254 O PRO A 17 4.576 3.259 -0.855 1.00 0.00 O +ATOM 255 CB PRO A 17 7.490 4.471 0.149 1.00 0.00 C +ATOM 256 CG PRO A 17 7.846 4.634 -1.326 1.00 0.00 C +ATOM 257 CD PRO A 17 8.110 3.196 -1.761 1.00 0.00 C +ATOM 258 HA PRO A 17 7.021 2.596 1.106 1.00 0.00 H +ATOM 259 HB2 PRO A 17 6.862 5.275 0.482 1.00 0.00 H +ATOM 260 HB3 PRO A 17 8.407 4.394 0.736 1.00 0.00 H +ATOM 261 HG2 PRO A 17 7.031 5.063 -1.877 1.00 0.00 H +ATOM 262 HG3 PRO A 17 8.720 5.268 -1.469 1.00 0.00 H +ATOM 263 HD2 PRO A 17 7.900 3.076 -2.806 1.00 0.00 H +ATOM 264 HD3 PRO A 17 9.141 2.925 -1.531 1.00 0.00 H +ATOM 265 N PRO A 18 4.607 3.648 1.372 1.00 0.00 N +ATOM 266 CA PRO A 18 3.168 3.868 1.495 1.00 0.00 C +ATOM 267 C PRO A 18 2.728 5.176 0.813 1.00 0.00 C +ATOM 268 O PRO A 18 3.421 6.189 0.932 1.00 0.00 O +ATOM 269 CB PRO A 18 2.880 3.905 2.999 1.00 0.00 C +ATOM 270 CG PRO A 18 4.202 4.357 3.615 1.00 0.00 C +ATOM 271 CD PRO A 18 5.252 3.767 2.674 1.00 0.00 C +ATOM 272 HA PRO A 18 2.650 3.021 1.056 1.00 0.00 H +ATOM 273 HB2 PRO A 18 2.097 4.604 3.221 1.00 0.00 H +ATOM 274 HB3 PRO A 18 2.640 2.905 3.351 1.00 0.00 H +ATOM 275 HG2 PRO A 18 4.268 5.428 3.640 1.00 0.00 H +ATOM 276 HG3 PRO A 18 4.322 3.987 4.633 1.00 0.00 H +ATOM 277 HD2 PRO A 18 6.103 4.418 2.610 1.00 0.00 H +ATOM 278 HD3 PRO A 18 5.544 2.776 3.024 1.00 0.00 H +ATOM 279 N PRO A 19 1.566 5.189 0.135 1.00 0.00 N +ATOM 280 CA PRO A 19 0.986 6.406 -0.419 1.00 0.00 C +ATOM 281 C PRO A 19 0.340 7.243 0.694 1.00 0.00 C +ATOM 282 O PRO A 19 -0.310 6.698 1.588 1.00 0.00 O +ATOM 283 CB PRO A 19 -0.045 5.908 -1.435 1.00 0.00 C +ATOM 284 CG PRO A 19 -0.542 4.596 -0.823 1.00 0.00 C +ATOM 285 CD PRO A 19 0.688 4.050 -0.100 1.00 0.00 C +ATOM 286 HA PRO A 19 1.751 6.996 -0.927 1.00 0.00 H +ATOM 287 HB2 PRO A 19 -0.849 6.611 -1.542 1.00 0.00 H +ATOM 288 HB3 PRO A 19 0.455 5.698 -2.382 1.00 0.00 H +ATOM 289 HG2 PRO A 19 -1.344 4.774 -0.133 1.00 0.00 H +ATOM 290 HG3 PRO A 19 -0.898 3.904 -1.584 1.00 0.00 H +ATOM 291 HD2 PRO A 19 0.402 3.603 0.833 1.00 0.00 H +ATOM 292 HD3 PRO A 19 1.199 3.327 -0.734 1.00 0.00 H +ATOM 293 N SER A 20 0.480 8.571 0.624 1.00 0.00 N +ATOM 294 CA SER A 20 -0.125 9.511 1.572 1.00 0.00 C +ATOM 295 C SER A 20 -0.770 10.671 0.820 1.00 0.00 C +ATOM 296 O SER A 20 -2.016 10.756 0.905 1.00 0.00 O +ATOM 297 CB SER A 20 0.919 9.961 2.597 1.00 0.00 C +ATOM 298 OG SER A 20 0.248 10.488 3.720 1.00 0.00 O +ATOM 299 OXT SER A 20 -0.011 11.405 0.152 1.00 0.00 O +ATOM 300 H SER A 20 1.013 8.983 -0.129 1.00 0.00 H +ATOM 301 HA SER A 20 -0.928 9.009 2.110 1.00 0.00 H +ATOM 302 HB2 SER A 20 1.519 9.122 2.895 1.00 0.00 H +ATOM 303 HB3 SER A 20 1.582 10.712 2.159 1.00 0.00 H +ATOM 304 HG SER A 20 -0.420 11.104 3.405 1.00 0.00 H +TER 305 SER A 20 +ENDMDL +MODEL 29 +ATOM 1 N ASN A 1 -8.605 5.735 -1.508 1.00 0.00 N +ATOM 2 CA ASN A 1 -7.571 6.051 -0.495 1.00 0.00 C +ATOM 3 C ASN A 1 -6.164 5.538 -0.832 1.00 0.00 C +ATOM 4 O ASN A 1 -5.240 5.940 -0.139 1.00 0.00 O +ATOM 5 CB ASN A 1 -8.006 5.614 0.920 1.00 0.00 C +ATOM 6 CG ASN A 1 -8.446 6.833 1.721 1.00 0.00 C +ATOM 7 OD1 ASN A 1 -7.636 7.667 2.079 1.00 0.00 O +ATOM 8 ND2 ASN A 1 -9.727 7.012 1.978 1.00 0.00 N +ATOM 9 H1 ASN A 1 -8.317 6.060 -2.422 1.00 0.00 H +ATOM 10 H2 ASN A 1 -8.771 4.738 -1.536 1.00 0.00 H +ATOM 11 H3 ASN A 1 -9.471 6.197 -1.263 1.00 0.00 H +ATOM 12 HA ASN A 1 -7.456 7.138 -0.461 1.00 0.00 H +ATOM 13 HB2 ASN A 1 -8.823 4.923 0.844 1.00 0.00 H +ATOM 14 HB3 ASN A 1 -7.168 5.160 1.453 1.00 0.00 H +ATOM 15 HD21 ASN A 1 -10.461 6.361 1.754 1.00 0.00 H +ATOM 16 HD22 ASN A 1 -9.905 7.847 2.515 1.00 0.00 H +ATOM 17 N LEU A 2 -5.966 4.679 -1.852 1.00 0.00 N +ATOM 18 CA LEU A 2 -4.666 4.117 -2.283 1.00 0.00 C +ATOM 19 C LEU A 2 -4.002 3.168 -1.262 1.00 0.00 C +ATOM 20 O LEU A 2 -3.524 2.099 -1.642 1.00 0.00 O +ATOM 21 CB LEU A 2 -3.717 5.253 -2.748 1.00 0.00 C +ATOM 22 CG LEU A 2 -3.317 5.246 -4.235 1.00 0.00 C +ATOM 23 CD1 LEU A 2 -2.553 3.980 -4.653 1.00 0.00 C +ATOM 24 CD2 LEU A 2 -4.536 5.478 -5.132 1.00 0.00 C +ATOM 25 H LEU A 2 -6.737 4.358 -2.414 1.00 0.00 H +ATOM 26 HA LEU A 2 -4.871 3.489 -3.150 1.00 0.00 H +ATOM 27 HB2 LEU A 2 -4.203 6.188 -2.545 1.00 0.00 H +ATOM 28 HB3 LEU A 2 -2.806 5.212 -2.162 1.00 0.00 H +ATOM 29 HG LEU A 2 -2.646 6.094 -4.387 1.00 0.00 H +ATOM 30 HD11 LEU A 2 -1.523 4.249 -4.893 1.00 0.00 H +ATOM 31 HD12 LEU A 2 -2.534 3.243 -3.853 1.00 0.00 H +ATOM 32 HD13 LEU A 2 -3.005 3.530 -5.537 1.00 0.00 H +ATOM 33 HD21 LEU A 2 -5.218 4.631 -5.088 1.00 0.00 H +ATOM 34 HD22 LEU A 2 -5.054 6.385 -4.819 1.00 0.00 H +ATOM 35 HD23 LEU A 2 -4.203 5.612 -6.162 1.00 0.00 H +ATOM 36 N TYR A 3 -4.025 3.502 0.030 1.00 0.00 N +ATOM 37 CA TYR A 3 -3.458 2.724 1.133 1.00 0.00 C +ATOM 38 C TYR A 3 -3.964 1.270 1.170 1.00 0.00 C +ATOM 39 O TYR A 3 -3.186 0.358 1.441 1.00 0.00 O +ATOM 40 CB TYR A 3 -3.738 3.456 2.457 1.00 0.00 C +ATOM 41 CG TYR A 3 -2.570 3.419 3.420 1.00 0.00 C +ATOM 42 CD1 TYR A 3 -2.245 2.219 4.078 1.00 0.00 C +ATOM 43 CD2 TYR A 3 -1.797 4.577 3.646 1.00 0.00 C +ATOM 44 CE1 TYR A 3 -1.149 2.170 4.960 1.00 0.00 C +ATOM 45 CE2 TYR A 3 -0.713 4.539 4.544 1.00 0.00 C +ATOM 46 CZ TYR A 3 -0.388 3.333 5.204 1.00 0.00 C +ATOM 47 OH TYR A 3 0.627 3.280 6.107 1.00 0.00 O +ATOM 48 H TYR A 3 -4.367 4.438 0.237 1.00 0.00 H +ATOM 49 HA TYR A 3 -2.377 2.691 0.989 1.00 0.00 H +ATOM 50 HB2 TYR A 3 -3.966 4.481 2.238 1.00 0.00 H +ATOM 51 HB3 TYR A 3 -4.614 3.021 2.941 1.00 0.00 H +ATOM 52 HD1 TYR A 3 -2.836 1.333 3.908 1.00 0.00 H +ATOM 53 HD2 TYR A 3 -2.032 5.503 3.135 1.00 0.00 H +ATOM 54 HE1 TYR A 3 -0.891 1.259 5.474 1.00 0.00 H +ATOM 55 HE2 TYR A 3 -0.128 5.433 4.713 1.00 0.00 H +ATOM 56 HH TYR A 3 0.617 4.042 6.689 1.00 0.00 H +ATOM 57 N ILE A 4 -5.244 1.037 0.838 1.00 0.00 N +ATOM 58 CA ILE A 4 -5.834 -0.306 0.713 1.00 0.00 C +ATOM 59 C ILE A 4 -5.105 -1.123 -0.367 1.00 0.00 C +ATOM 60 O ILE A 4 -4.724 -2.268 -0.130 1.00 0.00 O +ATOM 61 CB ILE A 4 -7.352 -0.235 0.407 1.00 0.00 C +ATOM 62 CG1 ILE A 4 -8.137 0.689 1.373 1.00 0.00 C +ATOM 63 CG2 ILE A 4 -7.972 -1.643 0.457 1.00 0.00 C +ATOM 64 CD1 ILE A 4 -8.547 2.007 0.707 1.00 0.00 C +ATOM 65 H ILE A 4 -5.819 1.844 0.651 1.00 0.00 H +ATOM 66 HA ILE A 4 -5.700 -0.825 1.663 1.00 0.00 H +ATOM 67 HB ILE A 4 -7.482 0.137 -0.611 1.00 0.00 H +ATOM 68 HG12 ILE A 4 -9.022 0.177 1.699 1.00 0.00 H +ATOM 69 HG13 ILE A 4 -7.548 0.901 2.265 1.00 0.00 H +ATOM 70 HG21 ILE A 4 -7.504 -2.298 -0.279 1.00 0.00 H +ATOM 71 HG22 ILE A 4 -7.845 -2.074 1.451 1.00 0.00 H +ATOM 72 HG23 ILE A 4 -9.037 -1.590 0.226 1.00 0.00 H +ATOM 73 HD11 ILE A 4 -7.664 2.587 0.439 1.00 0.00 H +ATOM 74 HD12 ILE A 4 -9.134 1.802 -0.191 1.00 0.00 H +ATOM 75 HD13 ILE A 4 -9.164 2.579 1.400 1.00 0.00 H +ATOM 76 N GLN A 5 -4.897 -0.530 -1.550 1.00 0.00 N +ATOM 77 CA GLN A 5 -4.198 -1.155 -2.673 1.00 0.00 C +ATOM 78 C GLN A 5 -2.723 -1.419 -2.333 1.00 0.00 C +ATOM 79 O GLN A 5 -2.200 -2.473 -2.684 1.00 0.00 O +ATOM 80 CB GLN A 5 -4.336 -0.262 -3.917 1.00 0.00 C +ATOM 81 CG GLN A 5 -3.914 -0.964 -5.221 1.00 0.00 C +ATOM 82 CD GLN A 5 -5.086 -1.137 -6.184 1.00 0.00 C +ATOM 83 OE1 GLN A 5 -5.679 -0.180 -6.653 1.00 0.00 O +ATOM 84 NE2 GLN A 5 -5.471 -2.356 -6.511 1.00 0.00 N +ATOM 85 H GLN A 5 -5.132 0.448 -1.635 1.00 0.00 H +ATOM 86 HA GLN A 5 -4.672 -2.115 -2.879 1.00 0.00 H +ATOM 87 HB2 GLN A 5 -5.362 0.038 -4.009 1.00 0.00 H +ATOM 88 HB3 GLN A 5 -3.724 0.632 -3.790 1.00 0.00 H +ATOM 89 HG2 GLN A 5 -3.155 -0.376 -5.701 1.00 0.00 H +ATOM 90 HG3 GLN A 5 -3.469 -1.937 -5.010 1.00 0.00 H +ATOM 91 HE21 GLN A 5 -4.984 -3.177 -6.199 1.00 0.00 H +ATOM 92 HE22 GLN A 5 -6.221 -2.372 -7.181 1.00 0.00 H +ATOM 93 N TRP A 6 -2.071 -0.497 -1.615 1.00 0.00 N +ATOM 94 CA TRP A 6 -0.715 -0.699 -1.098 1.00 0.00 C +ATOM 95 C TRP A 6 -0.639 -1.865 -0.097 1.00 0.00 C +ATOM 96 O TRP A 6 0.196 -2.757 -0.250 1.00 0.00 O +ATOM 97 CB TRP A 6 -0.203 0.608 -0.484 1.00 0.00 C +ATOM 98 CG TRP A 6 1.201 0.530 0.024 1.00 0.00 C +ATOM 99 CD1 TRP A 6 2.311 0.523 -0.750 1.00 0.00 C +ATOM 100 CD2 TRP A 6 1.672 0.404 1.403 1.00 0.00 C +ATOM 101 NE1 TRP A 6 3.428 0.392 0.050 1.00 0.00 N +ATOM 102 CE2 TRP A 6 3.094 0.319 1.381 1.00 0.00 C +ATOM 103 CE3 TRP A 6 1.048 0.358 2.668 1.00 0.00 C +ATOM 104 CZ2 TRP A 6 3.864 0.210 2.546 1.00 0.00 C +ATOM 105 CZ3 TRP A 6 1.810 0.242 3.848 1.00 0.00 C +ATOM 106 CH2 TRP A 6 3.214 0.174 3.791 1.00 0.00 C +ATOM 107 H TRP A 6 -2.559 0.372 -1.412 1.00 0.00 H +ATOM 108 HA TRP A 6 -0.064 -0.958 -1.933 1.00 0.00 H +ATOM 109 HB2 TRP A 6 -0.249 1.374 -1.234 1.00 0.00 H +ATOM 110 HB3 TRP A 6 -0.852 0.901 0.340 1.00 0.00 H +ATOM 111 HD1 TRP A 6 2.315 0.589 -1.829 1.00 0.00 H +ATOM 112 HE1 TRP A 6 4.395 0.361 -0.282 1.00 0.00 H +ATOM 113 HE3 TRP A 6 -0.028 0.427 2.725 1.00 0.00 H +ATOM 114 HZ2 TRP A 6 4.940 0.156 2.473 1.00 0.00 H +ATOM 115 HZ3 TRP A 6 1.316 0.221 4.810 1.00 0.00 H +ATOM 116 HH2 TRP A 6 3.792 0.099 4.701 1.00 0.00 H +ATOM 117 N LEU A 7 -1.536 -1.900 0.899 1.00 0.00 N +ATOM 118 CA LEU A 7 -1.617 -3.007 1.855 1.00 0.00 C +ATOM 119 C LEU A 7 -1.901 -4.357 1.181 1.00 0.00 C +ATOM 120 O LEU A 7 -1.360 -5.362 1.635 1.00 0.00 O +ATOM 121 CB LEU A 7 -2.675 -2.710 2.932 1.00 0.00 C +ATOM 122 CG LEU A 7 -2.221 -1.687 3.991 1.00 0.00 C +ATOM 123 CD1 LEU A 7 -3.385 -1.386 4.937 1.00 0.00 C +ATOM 124 CD2 LEU A 7 -1.031 -2.194 4.815 1.00 0.00 C +ATOM 125 H LEU A 7 -2.191 -1.126 0.991 1.00 0.00 H +ATOM 126 HA LEU A 7 -0.645 -3.114 2.334 1.00 0.00 H +ATOM 127 HB2 LEU A 7 -3.552 -2.327 2.447 1.00 0.00 H +ATOM 128 HB3 LEU A 7 -2.922 -3.640 3.447 1.00 0.00 H +ATOM 129 HG LEU A 7 -1.930 -0.760 3.500 1.00 0.00 H +ATOM 130 HD11 LEU A 7 -4.245 -1.036 4.365 1.00 0.00 H +ATOM 131 HD12 LEU A 7 -3.661 -2.286 5.488 1.00 0.00 H +ATOM 132 HD13 LEU A 7 -3.096 -0.608 5.644 1.00 0.00 H +ATOM 133 HD21 LEU A 7 -1.172 -3.243 5.075 1.00 0.00 H +ATOM 134 HD22 LEU A 7 -0.114 -2.086 4.240 1.00 0.00 H +ATOM 135 HD23 LEU A 7 -0.929 -1.613 5.731 1.00 0.00 H +ATOM 136 N LYS A 8 -2.692 -4.379 0.094 1.00 0.00 N +ATOM 137 CA LYS A 8 -3.020 -5.583 -0.687 1.00 0.00 C +ATOM 138 C LYS A 8 -1.785 -6.364 -1.155 1.00 0.00 C +ATOM 139 O LYS A 8 -1.838 -7.588 -1.203 1.00 0.00 O +ATOM 140 CB LYS A 8 -3.879 -5.189 -1.903 1.00 0.00 C +ATOM 141 CG LYS A 8 -4.659 -6.371 -2.495 1.00 0.00 C +ATOM 142 CD LYS A 8 -5.247 -6.001 -3.867 1.00 0.00 C +ATOM 143 CE LYS A 8 -6.373 -6.957 -4.272 1.00 0.00 C +ATOM 144 NZ LYS A 8 -7.632 -6.645 -3.554 1.00 0.00 N +ATOM 145 H LYS A 8 -3.148 -3.504 -0.155 1.00 0.00 H +ATOM 146 HA LYS A 8 -3.595 -6.254 -0.047 1.00 0.00 H +ATOM 147 HB2 LYS A 8 -4.579 -4.436 -1.597 1.00 0.00 H +ATOM 148 HB3 LYS A 8 -3.229 -4.772 -2.673 1.00 0.00 H +ATOM 149 HG2 LYS A 8 -3.997 -7.208 -2.609 1.00 0.00 H +ATOM 150 HG3 LYS A 8 -5.454 -6.641 -1.801 1.00 0.00 H +ATOM 151 HD2 LYS A 8 -5.637 -5.002 -3.821 1.00 0.00 H +ATOM 152 HD3 LYS A 8 -4.447 -6.061 -4.607 1.00 0.00 H +ATOM 153 HE2 LYS A 8 -6.542 -6.870 -5.328 1.00 0.00 H +ATOM 154 HE3 LYS A 8 -6.057 -7.983 -4.060 1.00 0.00 H +ATOM 155 HZ1 LYS A 8 -7.483 -6.699 -2.554 1.00 0.00 H +ATOM 156 HZ2 LYS A 8 -7.939 -5.708 -3.782 1.00 0.00 H +ATOM 157 HZ3 LYS A 8 -8.360 -7.298 -3.811 1.00 0.00 H +ATOM 158 N ASP A 9 -0.706 -5.663 -1.517 1.00 0.00 N +ATOM 159 CA ASP A 9 0.544 -6.266 -1.987 1.00 0.00 C +ATOM 160 C ASP A 9 1.293 -6.977 -0.843 1.00 0.00 C +ATOM 161 O ASP A 9 1.650 -8.148 -0.961 1.00 0.00 O +ATOM 162 CB ASP A 9 1.392 -5.171 -2.653 1.00 0.00 C +ATOM 163 CG ASP A 9 2.434 -5.757 -3.608 1.00 0.00 C +ATOM 164 OD1 ASP A 9 3.525 -6.132 -3.128 1.00 0.00 O +ATOM 165 OD2 ASP A 9 2.117 -5.814 -4.817 1.00 0.00 O +ATOM 166 H ASP A 9 -0.755 -4.653 -1.452 1.00 0.00 H +ATOM 167 HA ASP A 9 0.304 -7.017 -2.743 1.00 0.00 H +ATOM 168 HB2 ASP A 9 0.744 -4.518 -3.205 1.00 0.00 H +ATOM 169 HB3 ASP A 9 1.878 -4.560 -1.892 1.00 0.00 H +ATOM 170 N GLY A 10 1.469 -6.281 0.289 1.00 0.00 N +ATOM 171 CA GLY A 10 2.142 -6.803 1.484 1.00 0.00 C +ATOM 172 C GLY A 10 2.644 -5.740 2.469 1.00 0.00 C +ATOM 173 O GLY A 10 3.613 -5.985 3.194 1.00 0.00 O +ATOM 174 H GLY A 10 1.155 -5.323 0.250 1.00 0.00 H +ATOM 175 HA2 GLY A 10 1.445 -7.452 2.016 1.00 0.00 H +ATOM 176 HA3 GLY A 10 2.995 -7.408 1.175 1.00 0.00 H +ATOM 177 N GLY A 11 2.028 -4.548 2.496 1.00 0.00 N +ATOM 178 CA GLY A 11 2.465 -3.422 3.328 1.00 0.00 C +ATOM 179 C GLY A 11 3.961 -3.104 3.147 1.00 0.00 C +ATOM 180 O GLY A 11 4.428 -3.060 2.005 1.00 0.00 O +ATOM 181 H GLY A 11 1.229 -4.418 1.894 1.00 0.00 H +ATOM 182 HA2 GLY A 11 1.897 -2.535 3.047 1.00 0.00 H +ATOM 183 HA3 GLY A 11 2.242 -3.663 4.366 1.00 0.00 H +ATOM 184 N PRO A 12 4.744 -2.895 4.229 1.00 0.00 N +ATOM 185 CA PRO A 12 6.184 -2.626 4.136 1.00 0.00 C +ATOM 186 C PRO A 12 6.990 -3.695 3.379 1.00 0.00 C +ATOM 187 O PRO A 12 8.035 -3.383 2.813 1.00 0.00 O +ATOM 188 CB PRO A 12 6.687 -2.517 5.581 1.00 0.00 C +ATOM 189 CG PRO A 12 5.435 -2.200 6.394 1.00 0.00 C +ATOM 190 CD PRO A 12 4.325 -2.910 5.621 1.00 0.00 C +ATOM 191 HA PRO A 12 6.325 -1.668 3.636 1.00 0.00 H +ATOM 192 HB2 PRO A 12 7.124 -3.443 5.902 1.00 0.00 H +ATOM 193 HB3 PRO A 12 7.439 -1.733 5.682 1.00 0.00 H +ATOM 194 HG2 PRO A 12 5.516 -2.586 7.392 1.00 0.00 H +ATOM 195 HG3 PRO A 12 5.256 -1.124 6.386 1.00 0.00 H +ATOM 196 HD2 PRO A 12 4.214 -3.919 5.968 1.00 0.00 H +ATOM 197 HD3 PRO A 12 3.379 -2.387 5.767 1.00 0.00 H +ATOM 198 N SER A 13 6.507 -4.946 3.334 1.00 0.00 N +ATOM 199 CA SER A 13 7.187 -6.064 2.673 1.00 0.00 C +ATOM 200 C SER A 13 7.029 -6.063 1.139 1.00 0.00 C +ATOM 201 O SER A 13 7.451 -7.024 0.494 1.00 0.00 O +ATOM 202 CB SER A 13 6.706 -7.387 3.280 1.00 0.00 C +ATOM 203 OG SER A 13 7.516 -8.439 2.801 1.00 0.00 O +ATOM 204 H SER A 13 5.587 -5.127 3.723 1.00 0.00 H +ATOM 205 HA SER A 13 8.254 -5.982 2.881 1.00 0.00 H +ATOM 206 HB2 SER A 13 6.777 -7.338 4.350 1.00 0.00 H +ATOM 207 HB3 SER A 13 5.667 -7.570 3.006 1.00 0.00 H +ATOM 208 HG SER A 13 7.599 -8.303 1.840 1.00 0.00 H +ATOM 209 N SER A 14 6.431 -5.007 0.568 1.00 0.00 N +ATOM 210 CA SER A 14 6.122 -4.843 -0.863 1.00 0.00 C +ATOM 211 C SER A 14 7.243 -4.167 -1.670 1.00 0.00 C +ATOM 212 O SER A 14 7.126 -4.014 -2.885 1.00 0.00 O +ATOM 213 CB SER A 14 4.869 -3.968 -1.035 1.00 0.00 C +ATOM 214 OG SER A 14 3.852 -4.282 -0.111 1.00 0.00 O +ATOM 215 H SER A 14 6.092 -4.293 1.198 1.00 0.00 H +ATOM 216 HA SER A 14 5.916 -5.820 -1.304 1.00 0.00 H +ATOM 217 HB2 SER A 14 5.148 -2.940 -0.902 1.00 0.00 H +ATOM 218 HB3 SER A 14 4.489 -4.086 -2.049 1.00 0.00 H +ATOM 219 HG SER A 14 4.047 -3.794 0.729 1.00 0.00 H +ATOM 220 N GLY A 15 8.295 -3.658 -1.015 1.00 0.00 N +ATOM 221 CA GLY A 15 9.401 -2.924 -1.649 1.00 0.00 C +ATOM 222 C GLY A 15 9.095 -1.469 -2.050 1.00 0.00 C +ATOM 223 O GLY A 15 10.027 -0.688 -2.223 1.00 0.00 O +ATOM 224 H GLY A 15 8.323 -3.798 -0.013 1.00 0.00 H +ATOM 225 HA2 GLY A 15 10.254 -2.914 -0.971 1.00 0.00 H +ATOM 226 HA3 GLY A 15 9.705 -3.456 -2.552 1.00 0.00 H +ATOM 227 N ARG A 16 7.815 -1.082 -2.167 1.00 0.00 N +ATOM 228 CA ARG A 16 7.364 0.285 -2.472 1.00 0.00 C +ATOM 229 C ARG A 16 6.898 1.010 -1.194 1.00 0.00 C +ATOM 230 O ARG A 16 6.164 0.402 -0.414 1.00 0.00 O +ATOM 231 CB ARG A 16 6.227 0.209 -3.508 1.00 0.00 C +ATOM 232 CG ARG A 16 5.864 1.592 -4.069 1.00 0.00 C +ATOM 233 CD ARG A 16 4.667 1.536 -5.024 1.00 0.00 C +ATOM 234 NE ARG A 16 4.606 2.733 -5.883 1.00 0.00 N +ATOM 235 CZ ARG A 16 4.305 3.981 -5.540 1.00 0.00 C +ATOM 236 NH1 ARG A 16 3.982 4.326 -4.313 1.00 0.00 N +ATOM 237 NH2 ARG A 16 4.338 4.924 -6.455 1.00 0.00 N +ATOM 238 H ARG A 16 7.121 -1.806 -2.050 1.00 0.00 H +ATOM 239 HA ARG A 16 8.203 0.825 -2.912 1.00 0.00 H +ATOM 240 HB2 ARG A 16 6.538 -0.422 -4.318 1.00 0.00 H +ATOM 241 HB3 ARG A 16 5.345 -0.244 -3.049 1.00 0.00 H +ATOM 242 HG2 ARG A 16 5.623 2.244 -3.251 1.00 0.00 H +ATOM 243 HG3 ARG A 16 6.729 1.984 -4.604 1.00 0.00 H +ATOM 244 HD2 ARG A 16 4.756 0.665 -5.645 1.00 0.00 H +ATOM 245 HD3 ARG A 16 3.744 1.430 -4.452 1.00 0.00 H +ATOM 246 HE ARG A 16 4.837 2.583 -6.851 1.00 0.00 H +ATOM 247 HH11 ARG A 16 3.989 3.631 -3.582 1.00 0.00 H +ATOM 248 HH12 ARG A 16 3.762 5.278 -4.085 1.00 0.00 H +ATOM 249 HH21 ARG A 16 4.596 4.707 -7.402 1.00 0.00 H +ATOM 250 HH22 ARG A 16 4.116 5.872 -6.209 1.00 0.00 H +ATOM 251 N PRO A 17 7.232 2.303 -0.989 1.00 0.00 N +ATOM 252 CA PRO A 17 6.749 3.076 0.161 1.00 0.00 C +ATOM 253 C PRO A 17 5.224 3.306 0.130 1.00 0.00 C +ATOM 254 O PRO A 17 4.612 3.230 -0.945 1.00 0.00 O +ATOM 255 CB PRO A 17 7.515 4.405 0.107 1.00 0.00 C +ATOM 256 CG PRO A 17 7.835 4.571 -1.375 1.00 0.00 C +ATOM 257 CD PRO A 17 8.095 3.134 -1.819 1.00 0.00 C +ATOM 258 HA PRO A 17 7.009 2.547 1.078 1.00 0.00 H +ATOM 259 HB2 PRO A 17 6.905 5.214 0.461 1.00 0.00 H +ATOM 260 HB3 PRO A 17 8.445 4.313 0.672 1.00 0.00 H +ATOM 261 HG2 PRO A 17 7.005 4.997 -1.906 1.00 0.00 H +ATOM 262 HG3 PRO A 17 8.703 5.210 -1.537 1.00 0.00 H +ATOM 263 HD2 PRO A 17 7.847 3.012 -2.856 1.00 0.00 H +ATOM 264 HD3 PRO A 17 9.137 2.873 -1.630 1.00 0.00 H +ATOM 265 N PRO A 18 4.607 3.621 1.290 1.00 0.00 N +ATOM 266 CA PRO A 18 3.173 3.861 1.391 1.00 0.00 C +ATOM 267 C PRO A 18 2.768 5.155 0.668 1.00 0.00 C +ATOM 268 O PRO A 18 3.536 6.122 0.654 1.00 0.00 O +ATOM 269 CB PRO A 18 2.862 3.940 2.889 1.00 0.00 C +ATOM 270 CG PRO A 18 4.175 4.424 3.496 1.00 0.00 C +ATOM 271 CD PRO A 18 5.230 3.775 2.601 1.00 0.00 C +ATOM 272 HA PRO A 18 2.647 3.013 0.960 1.00 0.00 H +ATOM 273 HB2 PRO A 18 2.070 4.638 3.081 1.00 0.00 H +ATOM 274 HB3 PRO A 18 2.631 2.946 3.269 1.00 0.00 H +ATOM 275 HG2 PRO A 18 4.245 5.494 3.460 1.00 0.00 H +ATOM 276 HG3 PRO A 18 4.280 4.116 4.536 1.00 0.00 H +ATOM 277 HD2 PRO A 18 6.097 4.404 2.530 1.00 0.00 H +ATOM 278 HD3 PRO A 18 5.490 2.793 2.996 1.00 0.00 H +ATOM 279 N PRO A 19 1.558 5.206 0.088 1.00 0.00 N +ATOM 280 CA PRO A 19 1.036 6.414 -0.536 1.00 0.00 C +ATOM 281 C PRO A 19 0.580 7.431 0.525 1.00 0.00 C +ATOM 282 O PRO A 19 0.139 7.063 1.615 1.00 0.00 O +ATOM 283 CB PRO A 19 -0.114 5.918 -1.419 1.00 0.00 C +ATOM 284 CG PRO A 19 -0.641 4.693 -0.668 1.00 0.00 C +ATOM 285 CD PRO A 19 0.599 4.117 0.004 1.00 0.00 C +ATOM 286 HA PRO A 19 1.800 6.874 -1.164 1.00 0.00 H +ATOM 287 HB2 PRO A 19 -0.876 6.667 -1.512 1.00 0.00 H +ATOM 288 HB3 PRO A 19 0.288 5.602 -2.384 1.00 0.00 H +ATOM 289 HG2 PRO A 19 -1.374 4.978 0.062 1.00 0.00 H +ATOM 290 HG3 PRO A 19 -1.084 3.963 -1.347 1.00 0.00 H +ATOM 291 HD2 PRO A 19 0.357 3.758 0.986 1.00 0.00 H +ATOM 292 HD3 PRO A 19 1.015 3.321 -0.613 1.00 0.00 H +ATOM 293 N SER A 20 0.671 8.718 0.173 1.00 0.00 N +ATOM 294 CA SER A 20 0.166 9.881 0.915 1.00 0.00 C +ATOM 295 C SER A 20 -0.789 10.667 0.023 1.00 0.00 C +ATOM 296 O SER A 20 -1.886 10.995 0.519 1.00 0.00 O +ATOM 297 CB SER A 20 1.319 10.782 1.355 1.00 0.00 C +ATOM 298 OG SER A 20 2.016 10.129 2.391 1.00 0.00 O +ATOM 299 OXT SER A 20 -0.396 10.900 -1.142 1.00 0.00 O +ATOM 300 H SER A 20 0.997 8.943 -0.756 1.00 0.00 H +ATOM 301 HA SER A 20 -0.403 9.569 1.792 1.00 0.00 H +ATOM 302 HB2 SER A 20 1.979 10.958 0.527 1.00 0.00 H +ATOM 303 HB3 SER A 20 0.933 11.738 1.713 1.00 0.00 H +ATOM 304 HG SER A 20 1.901 9.185 2.245 1.00 0.00 H +TER 305 SER A 20 +ENDMDL +MODEL 30 +ATOM 1 N ASN A 1 -6.460 7.364 0.613 1.00 0.00 N +ATOM 2 CA ASN A 1 -7.483 6.556 -0.103 1.00 0.00 C +ATOM 3 C ASN A 1 -6.889 5.287 -0.732 1.00 0.00 C +ATOM 4 O ASN A 1 -7.475 4.227 -0.571 1.00 0.00 O +ATOM 5 CB ASN A 1 -8.236 7.406 -1.144 1.00 0.00 C +ATOM 6 CG ASN A 1 -7.303 7.780 -2.289 1.00 0.00 C +ATOM 7 OD1 ASN A 1 -6.233 8.314 -2.043 1.00 0.00 O +ATOM 8 ND2 ASN A 1 -7.597 7.393 -3.514 1.00 0.00 N +ATOM 9 H1 ASN A 1 -5.878 6.774 1.192 1.00 0.00 H +ATOM 10 H2 ASN A 1 -5.887 7.854 -0.067 1.00 0.00 H +ATOM 11 H3 ASN A 1 -6.912 8.053 1.197 1.00 0.00 H +ATOM 12 HA ASN A 1 -8.216 6.208 0.628 1.00 0.00 H +ATOM 13 HB2 ASN A 1 -9.064 6.843 -1.530 1.00 0.00 H +ATOM 14 HB3 ASN A 1 -8.607 8.320 -0.677 1.00 0.00 H +ATOM 15 HD21 ASN A 1 -8.429 6.875 -3.745 1.00 0.00 H +ATOM 16 HD22 ASN A 1 -6.919 7.643 -4.219 1.00 0.00 H +ATOM 17 N LEU A 2 -5.741 5.358 -1.420 1.00 0.00 N +ATOM 18 CA LEU A 2 -5.100 4.220 -2.108 1.00 0.00 C +ATOM 19 C LEU A 2 -4.341 3.246 -1.180 1.00 0.00 C +ATOM 20 O LEU A 2 -3.776 2.254 -1.644 1.00 0.00 O +ATOM 21 CB LEU A 2 -4.211 4.795 -3.233 1.00 0.00 C +ATOM 22 CG LEU A 2 -5.026 4.979 -4.531 1.00 0.00 C +ATOM 23 CD1 LEU A 2 -4.502 6.140 -5.376 1.00 0.00 C +ATOM 24 CD2 LEU A 2 -5.004 3.695 -5.367 1.00 0.00 C +ATOM 25 H LEU A 2 -5.329 6.267 -1.601 1.00 0.00 H +ATOM 26 HA LEU A 2 -5.882 3.615 -2.569 1.00 0.00 H +ATOM 27 HB2 LEU A 2 -3.822 5.746 -2.923 1.00 0.00 H +ATOM 28 HB3 LEU A 2 -3.367 4.131 -3.434 1.00 0.00 H +ATOM 29 HG LEU A 2 -6.062 5.205 -4.277 1.00 0.00 H +ATOM 30 HD11 LEU A 2 -4.492 7.057 -4.785 1.00 0.00 H +ATOM 31 HD12 LEU A 2 -3.492 5.927 -5.725 1.00 0.00 H +ATOM 32 HD13 LEU A 2 -5.154 6.287 -6.238 1.00 0.00 H +ATOM 33 HD21 LEU A 2 -3.983 3.466 -5.675 1.00 0.00 H +ATOM 34 HD22 LEU A 2 -5.397 2.860 -4.791 1.00 0.00 H +ATOM 35 HD23 LEU A 2 -5.619 3.822 -6.259 1.00 0.00 H +ATOM 36 N TYR A 3 -4.369 3.488 0.136 1.00 0.00 N +ATOM 37 CA TYR A 3 -3.657 2.701 1.145 1.00 0.00 C +ATOM 38 C TYR A 3 -4.098 1.228 1.178 1.00 0.00 C +ATOM 39 O TYR A 3 -3.268 0.347 1.389 1.00 0.00 O +ATOM 40 CB TYR A 3 -3.837 3.357 2.523 1.00 0.00 C +ATOM 41 CG TYR A 3 -2.642 3.161 3.434 1.00 0.00 C +ATOM 42 CD1 TYR A 3 -2.458 1.945 4.120 1.00 0.00 C +ATOM 43 CD2 TYR A 3 -1.695 4.196 3.573 1.00 0.00 C +ATOM 44 CE1 TYR A 3 -1.331 1.761 4.945 1.00 0.00 C +ATOM 45 CE2 TYR A 3 -0.570 4.016 4.396 1.00 0.00 C +ATOM 46 CZ TYR A 3 -0.383 2.798 5.082 1.00 0.00 C +ATOM 47 OH TYR A 3 0.699 2.647 5.890 1.00 0.00 O +ATOM 48 H TYR A 3 -4.905 4.281 0.443 1.00 0.00 H +ATOM 49 HA TYR A 3 -2.597 2.723 0.895 1.00 0.00 H +ATOM 50 HB2 TYR A 3 -3.991 4.410 2.383 1.00 0.00 H +ATOM 51 HB3 TYR A 3 -4.732 2.959 3.008 1.00 0.00 H +ATOM 52 HD1 TYR A 3 -3.179 1.149 4.003 1.00 0.00 H +ATOM 53 HD2 TYR A 3 -1.824 5.137 3.055 1.00 0.00 H +ATOM 54 HE1 TYR A 3 -1.180 0.826 5.463 1.00 0.00 H +ATOM 55 HE2 TYR A 3 0.151 4.808 4.521 1.00 0.00 H +ATOM 56 HH TYR A 3 0.441 2.460 6.795 1.00 0.00 H +ATOM 57 N ILE A 4 -5.388 0.955 0.919 1.00 0.00 N +ATOM 58 CA ILE A 4 -5.920 -0.410 0.824 1.00 0.00 C +ATOM 59 C ILE A 4 -5.170 -1.190 -0.266 1.00 0.00 C +ATOM 60 O ILE A 4 -4.654 -2.276 -0.009 1.00 0.00 O +ATOM 61 CB ILE A 4 -7.449 -0.413 0.570 1.00 0.00 C +ATOM 62 CG1 ILE A 4 -8.252 0.393 1.623 1.00 0.00 C +ATOM 63 CG2 ILE A 4 -7.973 -1.860 0.555 1.00 0.00 C +ATOM 64 CD1 ILE A 4 -8.642 1.792 1.136 1.00 0.00 C +ATOM 65 H ILE A 4 -6.009 1.734 0.758 1.00 0.00 H +ATOM 66 HA ILE A 4 -5.730 -0.915 1.773 1.00 0.00 H +ATOM 67 HB ILE A 4 -7.642 0.008 -0.418 1.00 0.00 H +ATOM 68 HG12 ILE A 4 -9.148 -0.149 1.858 1.00 0.00 H +ATOM 69 HG13 ILE A 4 -7.684 0.477 2.549 1.00 0.00 H +ATOM 70 HG21 ILE A 4 -7.552 -2.404 -0.285 1.00 0.00 H +ATOM 71 HG22 ILE A 4 -7.704 -2.366 1.485 1.00 0.00 H +ATOM 72 HG23 ILE A 4 -9.059 -1.868 0.448 1.00 0.00 H +ATOM 73 HD11 ILE A 4 -7.779 2.452 1.188 1.00 0.00 H +ATOM 74 HD12 ILE A 4 -9.018 1.751 0.113 1.00 0.00 H +ATOM 75 HD13 ILE A 4 -9.431 2.192 1.775 1.00 0.00 H +ATOM 76 N GLN A 5 -5.097 -0.628 -1.481 1.00 0.00 N +ATOM 77 CA GLN A 5 -4.416 -1.240 -2.624 1.00 0.00 C +ATOM 78 C GLN A 5 -2.926 -1.482 -2.349 1.00 0.00 C +ATOM 79 O GLN A 5 -2.406 -2.535 -2.707 1.00 0.00 O +ATOM 80 CB GLN A 5 -4.601 -0.369 -3.878 1.00 0.00 C +ATOM 81 CG GLN A 5 -4.909 -1.238 -5.106 1.00 0.00 C +ATOM 82 CD GLN A 5 -4.680 -0.468 -6.398 1.00 0.00 C +ATOM 83 OE1 GLN A 5 -5.535 0.265 -6.866 1.00 0.00 O +ATOM 84 NE2 GLN A 5 -3.518 -0.604 -7.008 1.00 0.00 N +ATOM 85 H GLN A 5 -5.464 0.307 -1.591 1.00 0.00 H +ATOM 86 HA GLN A 5 -4.871 -2.214 -2.798 1.00 0.00 H +ATOM 87 HB2 GLN A 5 -5.414 0.312 -3.716 1.00 0.00 H +ATOM 88 HB3 GLN A 5 -3.691 0.207 -4.059 1.00 0.00 H +ATOM 89 HG2 GLN A 5 -4.269 -2.099 -5.094 1.00 0.00 H +ATOM 90 HG3 GLN A 5 -5.953 -1.554 -5.065 1.00 0.00 H +ATOM 91 HE21 GLN A 5 -2.791 -1.203 -6.654 1.00 0.00 H +ATOM 92 HE22 GLN A 5 -3.429 -0.080 -7.861 1.00 0.00 H +ATOM 93 N TRP A 6 -2.259 -0.532 -1.681 1.00 0.00 N +ATOM 94 CA TRP A 6 -0.876 -0.690 -1.231 1.00 0.00 C +ATOM 95 C TRP A 6 -0.716 -1.832 -0.211 1.00 0.00 C +ATOM 96 O TRP A 6 0.176 -2.668 -0.361 1.00 0.00 O +ATOM 97 CB TRP A 6 -0.374 0.647 -0.679 1.00 0.00 C +ATOM 98 CG TRP A 6 1.038 0.612 -0.187 1.00 0.00 C +ATOM 99 CD1 TRP A 6 2.141 0.697 -0.963 1.00 0.00 C +ATOM 100 CD2 TRP A 6 1.520 0.464 1.184 1.00 0.00 C +ATOM 101 NE1 TRP A 6 3.265 0.595 -0.168 1.00 0.00 N +ATOM 102 CE2 TRP A 6 2.944 0.448 1.159 1.00 0.00 C +ATOM 103 CE3 TRP A 6 0.902 0.355 2.448 1.00 0.00 C +ATOM 104 CZ2 TRP A 6 3.724 0.344 2.317 1.00 0.00 C +ATOM 105 CZ3 TRP A 6 1.675 0.244 3.623 1.00 0.00 C +ATOM 106 CH2 TRP A 6 3.080 0.249 3.561 1.00 0.00 C +ATOM 107 H TRP A 6 -2.752 0.326 -1.458 1.00 0.00 H +ATOM 108 HA TRP A 6 -0.260 -0.952 -2.093 1.00 0.00 H +ATOM 109 HB2 TRP A 6 -0.441 1.380 -1.459 1.00 0.00 H +ATOM 110 HB3 TRP A 6 -1.015 0.962 0.144 1.00 0.00 H +ATOM 111 HD1 TRP A 6 2.138 0.826 -2.038 1.00 0.00 H +ATOM 112 HE1 TRP A 6 4.223 0.685 -0.491 1.00 0.00 H +ATOM 113 HE3 TRP A 6 -0.175 0.378 2.506 1.00 0.00 H +ATOM 114 HZ2 TRP A 6 4.802 0.341 2.239 1.00 0.00 H +ATOM 115 HZ3 TRP A 6 1.187 0.174 4.582 1.00 0.00 H +ATOM 116 HH2 TRP A 6 3.663 0.185 4.467 1.00 0.00 H +ATOM 117 N LEU A 7 -1.599 -1.914 0.796 1.00 0.00 N +ATOM 118 CA LEU A 7 -1.593 -3.012 1.768 1.00 0.00 C +ATOM 119 C LEU A 7 -1.846 -4.384 1.129 1.00 0.00 C +ATOM 120 O LEU A 7 -1.193 -5.345 1.538 1.00 0.00 O +ATOM 121 CB LEU A 7 -2.602 -2.751 2.902 1.00 0.00 C +ATOM 122 CG LEU A 7 -2.105 -1.780 3.989 1.00 0.00 C +ATOM 123 CD1 LEU A 7 -3.232 -1.537 4.996 1.00 0.00 C +ATOM 124 CD2 LEU A 7 -0.894 -2.319 4.764 1.00 0.00 C +ATOM 125 H LEU A 7 -2.301 -1.181 0.888 1.00 0.00 H +ATOM 126 HA LEU A 7 -0.591 -3.074 2.189 1.00 0.00 H +ATOM 127 HB2 LEU A 7 -3.494 -2.341 2.469 1.00 0.00 H +ATOM 128 HB3 LEU A 7 -2.838 -3.699 3.387 1.00 0.00 H +ATOM 129 HG LEU A 7 -1.835 -0.833 3.527 1.00 0.00 H +ATOM 130 HD11 LEU A 7 -4.108 -1.139 4.483 1.00 0.00 H +ATOM 131 HD12 LEU A 7 -3.500 -2.472 5.489 1.00 0.00 H +ATOM 132 HD13 LEU A 7 -2.913 -0.822 5.752 1.00 0.00 H +ATOM 133 HD21 LEU A 7 -1.122 -3.301 5.179 1.00 0.00 H +ATOM 134 HD22 LEU A 7 -0.027 -2.398 4.112 1.00 0.00 H +ATOM 135 HD23 LEU A 7 -0.639 -1.639 5.576 1.00 0.00 H +ATOM 136 N LYS A 8 -2.722 -4.491 0.113 1.00 0.00 N +ATOM 137 CA LYS A 8 -2.959 -5.749 -0.626 1.00 0.00 C +ATOM 138 C LYS A 8 -1.683 -6.372 -1.201 1.00 0.00 C +ATOM 139 O LYS A 8 -1.595 -7.593 -1.269 1.00 0.00 O +ATOM 140 CB LYS A 8 -4.007 -5.555 -1.743 1.00 0.00 C +ATOM 141 CG LYS A 8 -5.443 -5.846 -1.265 1.00 0.00 C +ATOM 142 CD LYS A 8 -6.440 -4.718 -1.552 1.00 0.00 C +ATOM 143 CE LYS A 8 -6.997 -4.739 -2.978 1.00 0.00 C +ATOM 144 NZ LYS A 8 -7.865 -3.560 -3.222 1.00 0.00 N +ATOM 145 H LYS A 8 -3.252 -3.655 -0.124 1.00 0.00 H +ATOM 146 HA LYS A 8 -3.328 -6.495 0.081 1.00 0.00 H +ATOM 147 HB2 LYS A 8 -3.958 -4.540 -2.087 1.00 0.00 H +ATOM 148 HB3 LYS A 8 -3.787 -6.243 -2.562 1.00 0.00 H +ATOM 149 HG2 LYS A 8 -5.788 -6.734 -1.758 1.00 0.00 H +ATOM 150 HG3 LYS A 8 -5.439 -6.011 -0.187 1.00 0.00 H +ATOM 151 HD2 LYS A 8 -7.260 -4.808 -0.866 1.00 0.00 H +ATOM 152 HD3 LYS A 8 -5.951 -3.767 -1.378 1.00 0.00 H +ATOM 153 HE2 LYS A 8 -6.181 -4.725 -3.675 1.00 0.00 H +ATOM 154 HE3 LYS A 8 -7.572 -5.660 -3.111 1.00 0.00 H +ATOM 155 HZ1 LYS A 8 -8.644 -3.562 -2.574 1.00 0.00 H +ATOM 156 HZ2 LYS A 8 -7.341 -2.706 -3.093 1.00 0.00 H +ATOM 157 HZ3 LYS A 8 -8.232 -3.580 -4.164 1.00 0.00 H +ATOM 158 N ASP A 9 -0.696 -5.556 -1.580 1.00 0.00 N +ATOM 159 CA ASP A 9 0.598 -6.026 -2.075 1.00 0.00 C +ATOM 160 C ASP A 9 1.519 -6.577 -0.966 1.00 0.00 C +ATOM 161 O ASP A 9 2.545 -7.185 -1.279 1.00 0.00 O +ATOM 162 CB ASP A 9 1.286 -4.862 -2.807 1.00 0.00 C +ATOM 163 CG ASP A 9 2.136 -5.346 -3.982 1.00 0.00 C +ATOM 164 OD1 ASP A 9 1.579 -5.513 -5.084 1.00 0.00 O +ATOM 165 OD2 ASP A 9 3.373 -5.444 -3.814 1.00 0.00 O +ATOM 166 H ASP A 9 -0.850 -4.558 -1.514 1.00 0.00 H +ATOM 167 HA ASP A 9 0.421 -6.829 -2.794 1.00 0.00 H +ATOM 168 HB2 ASP A 9 0.534 -4.192 -3.177 1.00 0.00 H +ATOM 169 HB3 ASP A 9 1.907 -4.305 -2.103 1.00 0.00 H +ATOM 170 N GLY A 10 1.200 -6.338 0.319 1.00 0.00 N +ATOM 171 CA GLY A 10 1.994 -6.734 1.492 1.00 0.00 C +ATOM 172 C GLY A 10 2.551 -5.569 2.334 1.00 0.00 C +ATOM 173 O GLY A 10 3.261 -5.808 3.315 1.00 0.00 O +ATOM 174 H GLY A 10 0.312 -5.879 0.502 1.00 0.00 H +ATOM 175 HA2 GLY A 10 1.360 -7.337 2.142 1.00 0.00 H +ATOM 176 HA3 GLY A 10 2.835 -7.356 1.186 1.00 0.00 H +ATOM 177 N GLY A 11 2.238 -4.314 1.983 1.00 0.00 N +ATOM 178 CA GLY A 11 2.630 -3.135 2.756 1.00 0.00 C +ATOM 179 C GLY A 11 4.156 -2.921 2.790 1.00 0.00 C +ATOM 180 O GLY A 11 4.786 -2.907 1.729 1.00 0.00 O +ATOM 181 H GLY A 11 1.725 -4.177 1.122 1.00 0.00 H +ATOM 182 HA2 GLY A 11 2.172 -2.252 2.310 1.00 0.00 H +ATOM 183 HA3 GLY A 11 2.237 -3.250 3.763 1.00 0.00 H +ATOM 184 N PRO A 12 4.785 -2.743 3.974 1.00 0.00 N +ATOM 185 CA PRO A 12 6.237 -2.551 4.077 1.00 0.00 C +ATOM 186 C PRO A 12 7.066 -3.702 3.485 1.00 0.00 C +ATOM 187 O PRO A 12 8.207 -3.486 3.077 1.00 0.00 O +ATOM 188 CB PRO A 12 6.543 -2.392 5.572 1.00 0.00 C +ATOM 189 CG PRO A 12 5.203 -2.021 6.203 1.00 0.00 C +ATOM 190 CD PRO A 12 4.182 -2.709 5.300 1.00 0.00 C +ATOM 191 HA PRO A 12 6.501 -1.628 3.560 1.00 0.00 H +ATOM 192 HB2 PRO A 12 6.913 -3.312 5.983 1.00 0.00 H +ATOM 193 HB3 PRO A 12 7.291 -1.616 5.745 1.00 0.00 H +ATOM 194 HG2 PRO A 12 5.137 -2.391 7.208 1.00 0.00 H +ATOM 195 HG3 PRO A 12 5.065 -0.941 6.157 1.00 0.00 H +ATOM 196 HD2 PRO A 12 3.987 -3.705 5.648 1.00 0.00 H +ATOM 197 HD3 PRO A 12 3.247 -2.149 5.311 1.00 0.00 H +ATOM 198 N SER A 13 6.502 -4.917 3.405 1.00 0.00 N +ATOM 199 CA SER A 13 7.196 -6.128 2.940 1.00 0.00 C +ATOM 200 C SER A 13 7.128 -6.326 1.416 1.00 0.00 C +ATOM 201 O SER A 13 7.334 -7.437 0.931 1.00 0.00 O +ATOM 202 CB SER A 13 6.674 -7.367 3.682 1.00 0.00 C +ATOM 203 OG SER A 13 6.833 -7.217 5.081 1.00 0.00 O +ATOM 204 H SER A 13 5.524 -4.999 3.654 1.00 0.00 H +ATOM 205 HA SER A 13 8.254 -6.034 3.186 1.00 0.00 H +ATOM 206 HB2 SER A 13 5.633 -7.499 3.458 1.00 0.00 H +ATOM 207 HB3 SER A 13 7.251 -8.238 3.368 1.00 0.00 H +ATOM 208 HG SER A 13 6.115 -6.675 5.416 1.00 0.00 H +ATOM 209 N SER A 14 6.854 -5.257 0.662 1.00 0.00 N +ATOM 210 CA SER A 14 6.584 -5.293 -0.785 1.00 0.00 C +ATOM 211 C SER A 14 7.566 -4.459 -1.616 1.00 0.00 C +ATOM 212 O SER A 14 7.367 -4.289 -2.817 1.00 0.00 O +ATOM 213 CB SER A 14 5.146 -4.838 -1.031 1.00 0.00 C +ATOM 214 OG SER A 14 4.277 -5.620 -0.252 1.00 0.00 O +ATOM 215 H SER A 14 6.601 -4.410 1.157 1.00 0.00 H +ATOM 216 HA SER A 14 6.658 -6.321 -1.144 1.00 0.00 H +ATOM 217 HB2 SER A 14 5.044 -3.806 -0.757 1.00 0.00 H +ATOM 218 HB3 SER A 14 4.908 -4.937 -2.086 1.00 0.00 H +ATOM 219 HG SER A 14 3.762 -6.253 -0.814 1.00 0.00 H +ATOM 220 N GLY A 15 8.616 -3.911 -0.986 1.00 0.00 N +ATOM 221 CA GLY A 15 9.650 -3.115 -1.655 1.00 0.00 C +ATOM 222 C GLY A 15 9.148 -1.778 -2.215 1.00 0.00 C +ATOM 223 O GLY A 15 9.705 -1.282 -3.192 1.00 0.00 O +ATOM 224 H GLY A 15 8.720 -4.130 -0.003 1.00 0.00 H +ATOM 225 HA2 GLY A 15 10.451 -2.904 -0.947 1.00 0.00 H +ATOM 226 HA3 GLY A 15 10.069 -3.693 -2.479 1.00 0.00 H +ATOM 227 N ARG A 16 8.090 -1.203 -1.622 1.00 0.00 N +ATOM 228 CA ARG A 16 7.417 0.014 -2.096 1.00 0.00 C +ATOM 229 C ARG A 16 6.924 0.888 -0.926 1.00 0.00 C +ATOM 230 O ARG A 16 6.280 0.358 -0.018 1.00 0.00 O +ATOM 231 CB ARG A 16 6.269 -0.371 -3.052 1.00 0.00 C +ATOM 232 CG ARG A 16 5.250 -1.359 -2.458 1.00 0.00 C +ATOM 233 CD ARG A 16 4.104 -1.695 -3.419 1.00 0.00 C +ATOM 234 NE ARG A 16 4.341 -2.957 -4.134 1.00 0.00 N +ATOM 235 CZ ARG A 16 4.904 -3.201 -5.305 1.00 0.00 C +ATOM 236 NH1 ARG A 16 5.427 -2.257 -6.053 1.00 0.00 N +ATOM 237 NH2 ARG A 16 4.910 -4.436 -5.734 1.00 0.00 N +ATOM 238 H ARG A 16 7.706 -1.667 -0.809 1.00 0.00 H +ATOM 239 HA ARG A 16 8.145 0.582 -2.674 1.00 0.00 H +ATOM 240 HB2 ARG A 16 5.747 0.525 -3.327 1.00 0.00 H +ATOM 241 HB3 ARG A 16 6.708 -0.821 -3.943 1.00 0.00 H +ATOM 242 HG2 ARG A 16 5.762 -2.268 -2.207 1.00 0.00 H +ATOM 243 HG3 ARG A 16 4.813 -0.934 -1.563 1.00 0.00 H +ATOM 244 HD2 ARG A 16 3.194 -1.780 -2.857 1.00 0.00 H +ATOM 245 HD3 ARG A 16 3.933 -0.873 -4.115 1.00 0.00 H +ATOM 246 HE ARG A 16 3.985 -3.821 -3.714 1.00 0.00 H +ATOM 247 HH11 ARG A 16 5.402 -1.317 -5.706 1.00 0.00 H +ATOM 248 HH12 ARG A 16 5.836 -2.486 -6.938 1.00 0.00 H +ATOM 249 HH21 ARG A 16 4.381 -5.092 -5.130 1.00 0.00 H +ATOM 250 HH22 ARG A 16 5.299 -4.728 -6.606 1.00 0.00 H +ATOM 251 N PRO A 17 7.173 2.212 -0.928 1.00 0.00 N +ATOM 252 CA PRO A 17 6.709 3.107 0.135 1.00 0.00 C +ATOM 253 C PRO A 17 5.179 3.304 0.093 1.00 0.00 C +ATOM 254 O PRO A 17 4.572 3.105 -0.963 1.00 0.00 O +ATOM 255 CB PRO A 17 7.453 4.424 -0.105 1.00 0.00 C +ATOM 256 CG PRO A 17 7.690 4.435 -1.615 1.00 0.00 C +ATOM 257 CD PRO A 17 7.884 2.960 -1.955 1.00 0.00 C +ATOM 258 HA PRO A 17 6.996 2.696 1.103 1.00 0.00 H +ATOM 259 HB2 PRO A 17 6.854 5.262 0.195 1.00 0.00 H +ATOM 260 HB3 PRO A 17 8.414 4.395 0.413 1.00 0.00 H +ATOM 261 HG2 PRO A 17 6.842 4.840 -2.134 1.00 0.00 H +ATOM 262 HG3 PRO A 17 8.568 5.026 -1.881 1.00 0.00 H +ATOM 263 HD2 PRO A 17 7.475 2.744 -2.923 1.00 0.00 H +ATOM 264 HD3 PRO A 17 8.945 2.707 -1.917 1.00 0.00 H +ATOM 265 N PRO A 18 4.547 3.703 1.215 1.00 0.00 N +ATOM 266 CA PRO A 18 3.107 3.958 1.273 1.00 0.00 C +ATOM 267 C PRO A 18 2.718 5.246 0.522 1.00 0.00 C +ATOM 268 O PRO A 18 3.537 6.161 0.405 1.00 0.00 O +ATOM 269 CB PRO A 18 2.775 4.060 2.766 1.00 0.00 C +ATOM 270 CG PRO A 18 4.078 4.556 3.393 1.00 0.00 C +ATOM 271 CD PRO A 18 5.157 3.921 2.519 1.00 0.00 C +ATOM 272 HA PRO A 18 2.574 3.114 0.842 1.00 0.00 H +ATOM 273 HB2 PRO A 18 1.979 4.759 2.934 1.00 0.00 H +ATOM 274 HB3 PRO A 18 2.537 3.072 3.156 1.00 0.00 H +ATOM 275 HG2 PRO A 18 4.137 5.627 3.359 1.00 0.00 H +ATOM 276 HG3 PRO A 18 4.168 4.245 4.434 1.00 0.00 H +ATOM 277 HD2 PRO A 18 5.999 4.580 2.430 1.00 0.00 H +ATOM 278 HD3 PRO A 18 5.454 2.961 2.942 1.00 0.00 H +ATOM 279 N PRO A 19 1.462 5.356 0.042 1.00 0.00 N +ATOM 280 CA PRO A 19 0.965 6.565 -0.607 1.00 0.00 C +ATOM 281 C PRO A 19 0.679 7.670 0.424 1.00 0.00 C +ATOM 282 O PRO A 19 0.133 7.394 1.493 1.00 0.00 O +ATOM 283 CB PRO A 19 -0.307 6.120 -1.337 1.00 0.00 C +ATOM 284 CG PRO A 19 -0.842 4.980 -0.470 1.00 0.00 C +ATOM 285 CD PRO A 19 0.425 4.333 0.092 1.00 0.00 C +ATOM 286 HA PRO A 19 1.694 6.927 -1.334 1.00 0.00 H +ATOM 287 HB2 PRO A 19 -1.016 6.923 -1.394 1.00 0.00 H +ATOM 288 HB3 PRO A 19 -0.038 5.730 -2.321 1.00 0.00 H +ATOM 289 HG2 PRO A 19 -1.462 5.358 0.320 1.00 0.00 H +ATOM 290 HG3 PRO A 19 -1.427 4.271 -1.057 1.00 0.00 H +ATOM 291 HD2 PRO A 19 0.263 4.017 1.104 1.00 0.00 H +ATOM 292 HD3 PRO A 19 0.718 3.493 -0.537 1.00 0.00 H +ATOM 293 N SER A 20 1.033 8.915 0.077 1.00 0.00 N +ATOM 294 CA SER A 20 0.705 10.139 0.828 1.00 0.00 C +ATOM 295 C SER A 20 -0.786 10.478 0.742 1.00 0.00 C +ATOM 296 O SER A 20 -1.375 10.693 1.822 1.00 0.00 O +ATOM 297 CB SER A 20 1.520 11.322 0.296 1.00 0.00 C +ATOM 298 OG SER A 20 2.902 11.054 0.415 1.00 0.00 O +ATOM 299 OXT SER A 20 -1.297 10.548 -0.398 1.00 0.00 O +ATOM 300 H SER A 20 1.493 9.051 -0.810 1.00 0.00 H +ATOM 301 HA SER A 20 0.929 9.985 1.882 1.00 0.00 H +ATOM 302 HB2 SER A 20 1.278 11.484 -0.737 1.00 0.00 H +ATOM 303 HB3 SER A 20 1.270 12.218 0.868 1.00 0.00 H +ATOM 304 HG SER A 20 3.079 10.774 1.317 1.00 0.00 H +TER 305 SER A 20 +ENDMDL +MODEL 31 +ATOM 1 N ASN A 1 -5.909 7.522 0.267 1.00 0.00 N +ATOM 2 CA ASN A 1 -6.878 6.859 -0.640 1.00 0.00 C +ATOM 3 C ASN A 1 -6.387 5.474 -1.074 1.00 0.00 C +ATOM 4 O ASN A 1 -7.073 4.506 -0.795 1.00 0.00 O +ATOM 5 CB ASN A 1 -7.238 7.752 -1.848 1.00 0.00 C +ATOM 6 CG ASN A 1 -6.030 7.972 -2.754 1.00 0.00 C +ATOM 7 OD1 ASN A 1 -4.939 8.212 -2.259 1.00 0.00 O +ATOM 8 ND2 ASN A 1 -6.143 7.768 -4.052 1.00 0.00 N +ATOM 9 H1 ASN A 1 -5.599 6.883 0.986 1.00 0.00 H +ATOM 10 H2 ASN A 1 -5.112 7.842 -0.277 1.00 0.00 H +ATOM 11 H3 ASN A 1 -6.337 8.328 0.703 1.00 0.00 H +ATOM 12 HA ASN A 1 -7.798 6.680 -0.079 1.00 0.00 H +ATOM 13 HB2 ASN A 1 -8.017 7.278 -2.413 1.00 0.00 H +ATOM 14 HB3 ASN A 1 -7.592 8.722 -1.493 1.00 0.00 H +ATOM 15 HD21 ASN A 1 -7.007 7.508 -4.498 1.00 0.00 H +ATOM 16 HD22 ASN A 1 -5.297 7.914 -4.581 1.00 0.00 H +ATOM 17 N LEU A 2 -5.214 5.357 -1.714 1.00 0.00 N +ATOM 18 CA LEU A 2 -4.723 4.133 -2.374 1.00 0.00 C +ATOM 19 C LEU A 2 -4.072 3.112 -1.410 1.00 0.00 C +ATOM 20 O LEU A 2 -3.514 2.099 -1.824 1.00 0.00 O +ATOM 21 CB LEU A 2 -3.784 4.570 -3.527 1.00 0.00 C +ATOM 22 CG LEU A 2 -4.051 3.825 -4.857 1.00 0.00 C +ATOM 23 CD1 LEU A 2 -4.094 4.806 -6.033 1.00 0.00 C +ATOM 24 CD2 LEU A 2 -2.990 2.766 -5.156 1.00 0.00 C +ATOM 25 H LEU A 2 -4.694 6.204 -1.928 1.00 0.00 H +ATOM 26 HA LEU A 2 -5.592 3.628 -2.801 1.00 0.00 H +ATOM 27 HB2 LEU A 2 -3.918 5.621 -3.694 1.00 0.00 H +ATOM 28 HB3 LEU A 2 -2.742 4.452 -3.229 1.00 0.00 H +ATOM 29 HG LEU A 2 -5.023 3.338 -4.815 1.00 0.00 H +ATOM 30 HD11 LEU A 2 -4.920 5.505 -5.900 1.00 0.00 H +ATOM 31 HD12 LEU A 2 -3.158 5.361 -6.096 1.00 0.00 H +ATOM 32 HD13 LEU A 2 -4.250 4.259 -6.963 1.00 0.00 H +ATOM 33 HD21 LEU A 2 -2.068 3.238 -5.500 1.00 0.00 H +ATOM 34 HD22 LEU A 2 -2.771 2.189 -4.262 1.00 0.00 H +ATOM 35 HD23 LEU A 2 -3.360 2.093 -5.930 1.00 0.00 H +ATOM 36 N TYR A 3 -4.158 3.379 -0.100 1.00 0.00 N +ATOM 37 CA TYR A 3 -3.550 2.591 0.970 1.00 0.00 C +ATOM 38 C TYR A 3 -4.064 1.142 1.019 1.00 0.00 C +ATOM 39 O TYR A 3 -3.312 0.246 1.398 1.00 0.00 O +ATOM 40 CB TYR A 3 -3.780 3.308 2.312 1.00 0.00 C +ATOM 41 CG TYR A 3 -2.551 3.326 3.197 1.00 0.00 C +ATOM 42 CD1 TYR A 3 -2.261 2.225 4.024 1.00 0.00 C +ATOM 43 CD2 TYR A 3 -1.687 4.439 3.181 1.00 0.00 C +ATOM 44 CE1 TYR A 3 -1.106 2.230 4.829 1.00 0.00 C +ATOM 45 CE2 TYR A 3 -0.529 4.448 3.976 1.00 0.00 C +ATOM 46 CZ TYR A 3 -0.232 3.340 4.800 1.00 0.00 C +ATOM 47 OH TYR A 3 0.880 3.349 5.583 1.00 0.00 O +ATOM 48 H TYR A 3 -4.674 4.203 0.150 1.00 0.00 H +ATOM 49 HA TYR A 3 -2.477 2.550 0.784 1.00 0.00 H +ATOM 50 HB2 TYR A 3 -4.071 4.321 2.112 1.00 0.00 H +ATOM 51 HB3 TYR A 3 -4.604 2.835 2.848 1.00 0.00 H +ATOM 52 HD1 TYR A 3 -2.925 1.374 4.033 1.00 0.00 H +ATOM 53 HD2 TYR A 3 -1.899 5.294 2.555 1.00 0.00 H +ATOM 54 HE1 TYR A 3 -0.876 1.391 5.467 1.00 0.00 H +ATOM 55 HE2 TYR A 3 0.134 5.301 3.953 1.00 0.00 H +ATOM 56 HH TYR A 3 0.691 3.713 6.450 1.00 0.00 H +ATOM 57 N ILE A 4 -5.318 0.899 0.604 1.00 0.00 N +ATOM 58 CA ILE A 4 -5.916 -0.442 0.543 1.00 0.00 C +ATOM 59 C ILE A 4 -5.144 -1.321 -0.447 1.00 0.00 C +ATOM 60 O ILE A 4 -4.704 -2.405 -0.072 1.00 0.00 O +ATOM 61 CB ILE A 4 -7.426 -0.393 0.201 1.00 0.00 C +ATOM 62 CG1 ILE A 4 -8.210 0.560 1.137 1.00 0.00 C +ATOM 63 CG2 ILE A 4 -8.041 -1.802 0.286 1.00 0.00 C +ATOM 64 CD1 ILE A 4 -8.670 1.817 0.395 1.00 0.00 C +ATOM 65 H ILE A 4 -5.870 1.690 0.302 1.00 0.00 H +ATOM 66 HA ILE A 4 -5.811 -0.900 1.529 1.00 0.00 H +ATOM 67 HB ILE A 4 -7.537 -0.053 -0.832 1.00 0.00 H +ATOM 68 HG12 ILE A 4 -9.071 0.045 1.518 1.00 0.00 H +ATOM 69 HG13 ILE A 4 -7.591 0.854 1.986 1.00 0.00 H +ATOM 70 HG21 ILE A 4 -7.564 -2.474 -0.427 1.00 0.00 H +ATOM 71 HG22 ILE A 4 -7.920 -2.203 1.294 1.00 0.00 H +ATOM 72 HG23 ILE A 4 -9.103 -1.755 0.046 1.00 0.00 H +ATOM 73 HD11 ILE A 4 -7.834 2.238 -0.159 1.00 0.00 H +ATOM 74 HD12 ILE A 4 -9.467 1.560 -0.304 1.00 0.00 H +ATOM 75 HD13 ILE A 4 -9.041 2.553 1.108 1.00 0.00 H +ATOM 76 N GLN A 5 -4.941 -0.843 -1.684 1.00 0.00 N +ATOM 77 CA GLN A 5 -4.117 -1.514 -2.693 1.00 0.00 C +ATOM 78 C GLN A 5 -2.686 -1.746 -2.187 1.00 0.00 C +ATOM 79 O GLN A 5 -2.209 -2.879 -2.229 1.00 0.00 O +ATOM 80 CB GLN A 5 -4.134 -0.708 -4.002 1.00 0.00 C +ATOM 81 CG GLN A 5 -5.442 -0.901 -4.795 1.00 0.00 C +ATOM 82 CD GLN A 5 -6.166 0.412 -5.082 1.00 0.00 C +ATOM 83 OE1 GLN A 5 -6.464 1.188 -4.184 1.00 0.00 O +ATOM 84 NE2 GLN A 5 -6.497 0.688 -6.330 1.00 0.00 N +ATOM 85 H GLN A 5 -5.307 0.072 -1.913 1.00 0.00 H +ATOM 86 HA GLN A 5 -4.539 -2.498 -2.896 1.00 0.00 H +ATOM 87 HB2 GLN A 5 -4.024 0.333 -3.767 1.00 0.00 H +ATOM 88 HB3 GLN A 5 -3.302 -1.031 -4.631 1.00 0.00 H +ATOM 89 HG2 GLN A 5 -5.209 -1.374 -5.729 1.00 0.00 H +ATOM 90 HG3 GLN A 5 -6.129 -1.543 -4.244 1.00 0.00 H +ATOM 91 HE21 GLN A 5 -6.283 0.067 -7.093 1.00 0.00 H +ATOM 92 HE22 GLN A 5 -7.002 1.548 -6.458 1.00 0.00 H +ATOM 93 N TRP A 6 -2.034 -0.709 -1.645 1.00 0.00 N +ATOM 94 CA TRP A 6 -0.678 -0.829 -1.093 1.00 0.00 C +ATOM 95 C TRP A 6 -0.567 -1.888 0.023 1.00 0.00 C +ATOM 96 O TRP A 6 0.376 -2.684 0.030 1.00 0.00 O +ATOM 97 CB TRP A 6 -0.200 0.546 -0.612 1.00 0.00 C +ATOM 98 CG TRP A 6 1.200 0.544 -0.082 1.00 0.00 C +ATOM 99 CD1 TRP A 6 2.322 0.559 -0.836 1.00 0.00 C +ATOM 100 CD2 TRP A 6 1.651 0.467 1.306 1.00 0.00 C +ATOM 101 NE1 TRP A 6 3.427 0.481 -0.014 1.00 0.00 N +ATOM 102 CE2 TRP A 6 3.075 0.428 1.313 1.00 0.00 C +ATOM 103 CE3 TRP A 6 1.006 0.418 2.560 1.00 0.00 C +ATOM 104 CZ2 TRP A 6 3.828 0.362 2.492 1.00 0.00 C +ATOM 105 CZ3 TRP A 6 1.749 0.341 3.754 1.00 0.00 C +ATOM 106 CH2 TRP A 6 3.155 0.321 3.723 1.00 0.00 C +ATOM 107 H TRP A 6 -2.492 0.198 -1.645 1.00 0.00 H +ATOM 108 HA TRP A 6 -0.016 -1.157 -1.898 1.00 0.00 H +ATOM 109 HB2 TRP A 6 -0.249 1.230 -1.438 1.00 0.00 H +ATOM 110 HB3 TRP A 6 -0.866 0.904 0.171 1.00 0.00 H +ATOM 111 HD1 TRP A 6 2.344 0.600 -1.918 1.00 0.00 H +ATOM 112 HE1 TRP A 6 4.399 0.465 -0.330 1.00 0.00 H +ATOM 113 HE3 TRP A 6 -0.073 0.449 2.593 1.00 0.00 H +ATOM 114 HZ2 TRP A 6 4.906 0.339 2.439 1.00 0.00 H +ATOM 115 HZ3 TRP A 6 1.239 0.310 4.706 1.00 0.00 H +ATOM 116 HH2 TRP A 6 3.716 0.279 4.647 1.00 0.00 H +ATOM 117 N LEU A 7 -1.531 -1.946 0.950 1.00 0.00 N +ATOM 118 CA LEU A 7 -1.587 -3.012 1.954 1.00 0.00 C +ATOM 119 C LEU A 7 -1.883 -4.387 1.338 1.00 0.00 C +ATOM 120 O LEU A 7 -1.259 -5.363 1.752 1.00 0.00 O +ATOM 121 CB LEU A 7 -2.605 -2.670 3.056 1.00 0.00 C +ATOM 122 CG LEU A 7 -2.118 -1.596 4.051 1.00 0.00 C +ATOM 123 CD1 LEU A 7 -3.255 -1.244 5.014 1.00 0.00 C +ATOM 124 CD2 LEU A 7 -0.920 -2.061 4.892 1.00 0.00 C +ATOM 125 H LEU A 7 -2.264 -1.238 0.941 1.00 0.00 H +ATOM 126 HA LEU A 7 -0.599 -3.102 2.404 1.00 0.00 H +ATOM 127 HB2 LEU A 7 -3.502 -2.314 2.587 1.00 0.00 H +ATOM 128 HB3 LEU A 7 -2.828 -3.576 3.621 1.00 0.00 H +ATOM 129 HG LEU A 7 -1.835 -0.698 3.507 1.00 0.00 H +ATOM 130 HD11 LEU A 7 -4.107 -0.863 4.451 1.00 0.00 H +ATOM 131 HD12 LEU A 7 -3.559 -2.129 5.572 1.00 0.00 H +ATOM 132 HD13 LEU A 7 -2.924 -0.478 5.716 1.00 0.00 H +ATOM 133 HD21 LEU A 7 -1.159 -2.994 5.401 1.00 0.00 H +ATOM 134 HD22 LEU A 7 -0.046 -2.207 4.261 1.00 0.00 H +ATOM 135 HD23 LEU A 7 -0.673 -1.303 5.635 1.00 0.00 H +ATOM 136 N LYS A 8 -2.772 -4.477 0.334 1.00 0.00 N +ATOM 137 CA LYS A 8 -3.105 -5.716 -0.398 1.00 0.00 C +ATOM 138 C LYS A 8 -1.879 -6.425 -0.982 1.00 0.00 C +ATOM 139 O LYS A 8 -1.855 -7.653 -0.986 1.00 0.00 O +ATOM 140 CB LYS A 8 -4.125 -5.413 -1.517 1.00 0.00 C +ATOM 141 CG LYS A 8 -5.509 -6.032 -1.296 1.00 0.00 C +ATOM 142 CD LYS A 8 -5.571 -7.539 -1.610 1.00 0.00 C +ATOM 143 CE LYS A 8 -6.790 -7.876 -2.484 1.00 0.00 C +ATOM 144 NZ LYS A 8 -6.467 -7.814 -3.931 1.00 0.00 N +ATOM 145 H LYS A 8 -3.262 -3.623 0.071 1.00 0.00 H +ATOM 146 HA LYS A 8 -3.545 -6.418 0.311 1.00 0.00 H +ATOM 147 HB2 LYS A 8 -4.241 -4.349 -1.587 1.00 0.00 H +ATOM 148 HB3 LYS A 8 -3.737 -5.743 -2.483 1.00 0.00 H +ATOM 149 HG2 LYS A 8 -5.784 -5.888 -0.269 1.00 0.00 H +ATOM 150 HG3 LYS A 8 -6.212 -5.498 -1.938 1.00 0.00 H +ATOM 151 HD2 LYS A 8 -4.677 -7.825 -2.131 1.00 0.00 H +ATOM 152 HD3 LYS A 8 -5.653 -8.084 -0.669 1.00 0.00 H +ATOM 153 HE2 LYS A 8 -7.125 -8.867 -2.245 1.00 0.00 H +ATOM 154 HE3 LYS A 8 -7.598 -7.177 -2.246 1.00 0.00 H +ATOM 155 HZ1 LYS A 8 -6.123 -6.897 -4.179 1.00 0.00 H +ATOM 156 HZ2 LYS A 8 -5.753 -8.496 -4.155 1.00 0.00 H +ATOM 157 HZ3 LYS A 8 -7.289 -8.017 -4.487 1.00 0.00 H +ATOM 158 N ASP A 9 -0.876 -5.673 -1.449 1.00 0.00 N +ATOM 159 CA ASP A 9 0.398 -6.223 -1.930 1.00 0.00 C +ATOM 160 C ASP A 9 1.311 -6.762 -0.805 1.00 0.00 C +ATOM 161 O ASP A 9 2.203 -7.564 -1.082 1.00 0.00 O +ATOM 162 CB ASP A 9 1.147 -5.144 -2.731 1.00 0.00 C +ATOM 163 CG ASP A 9 0.467 -4.801 -4.061 1.00 0.00 C +ATOM 164 OD1 ASP A 9 0.157 -5.754 -4.813 1.00 0.00 O +ATOM 165 OD2 ASP A 9 0.290 -3.591 -4.324 1.00 0.00 O +ATOM 166 H ASP A 9 -1.030 -4.670 -1.499 1.00 0.00 H +ATOM 167 HA ASP A 9 0.195 -7.060 -2.600 1.00 0.00 H +ATOM 168 HB2 ASP A 9 1.201 -4.253 -2.136 1.00 0.00 H +ATOM 169 HB3 ASP A 9 2.152 -5.505 -2.957 1.00 0.00 H +ATOM 170 N GLY A 10 1.096 -6.352 0.456 1.00 0.00 N +ATOM 171 CA GLY A 10 1.939 -6.705 1.606 1.00 0.00 C +ATOM 172 C GLY A 10 2.565 -5.512 2.347 1.00 0.00 C +ATOM 173 O GLY A 10 3.435 -5.730 3.206 1.00 0.00 O +ATOM 174 H GLY A 10 0.261 -5.800 0.631 1.00 0.00 H +ATOM 175 HA2 GLY A 10 1.326 -7.256 2.320 1.00 0.00 H +ATOM 176 HA3 GLY A 10 2.746 -7.365 1.289 1.00 0.00 H +ATOM 177 N GLY A 11 2.176 -4.272 2.029 1.00 0.00 N +ATOM 178 CA GLY A 11 2.626 -3.057 2.710 1.00 0.00 C +ATOM 179 C GLY A 11 4.158 -2.915 2.747 1.00 0.00 C +ATOM 180 O GLY A 11 4.789 -2.963 1.691 1.00 0.00 O +ATOM 181 H GLY A 11 1.547 -4.148 1.241 1.00 0.00 H +ATOM 182 HA2 GLY A 11 2.223 -2.195 2.180 1.00 0.00 H +ATOM 183 HA3 GLY A 11 2.209 -3.058 3.715 1.00 0.00 H +ATOM 184 N PRO A 12 4.800 -2.763 3.930 1.00 0.00 N +ATOM 185 CA PRO A 12 6.259 -2.630 4.030 1.00 0.00 C +ATOM 186 C PRO A 12 7.037 -3.777 3.366 1.00 0.00 C +ATOM 187 O PRO A 12 8.146 -3.571 2.879 1.00 0.00 O +ATOM 188 CB PRO A 12 6.578 -2.563 5.529 1.00 0.00 C +ATOM 189 CG PRO A 12 5.267 -2.123 6.174 1.00 0.00 C +ATOM 190 CD PRO A 12 4.203 -2.726 5.258 1.00 0.00 C +ATOM 191 HA PRO A 12 6.554 -1.691 3.560 1.00 0.00 H +ATOM 192 HB2 PRO A 12 6.879 -3.525 5.897 1.00 0.00 H +ATOM 193 HB3 PRO A 12 7.381 -1.855 5.734 1.00 0.00 H +ATOM 194 HG2 PRO A 12 5.180 -2.511 7.171 1.00 0.00 H +ATOM 195 HG3 PRO A 12 5.195 -1.035 6.150 1.00 0.00 H +ATOM 196 HD2 PRO A 12 3.949 -3.717 5.582 1.00 0.00 H +ATOM 197 HD3 PRO A 12 3.303 -2.112 5.287 1.00 0.00 H +ATOM 198 N SER A 13 6.444 -4.979 3.307 1.00 0.00 N +ATOM 199 CA SER A 13 7.043 -6.156 2.670 1.00 0.00 C +ATOM 200 C SER A 13 6.983 -6.137 1.130 1.00 0.00 C +ATOM 201 O SER A 13 7.548 -7.021 0.494 1.00 0.00 O +ATOM 202 CB SER A 13 6.428 -7.435 3.253 1.00 0.00 C +ATOM 203 OG SER A 13 5.089 -7.644 2.842 1.00 0.00 O +ATOM 204 H SER A 13 5.500 -5.052 3.666 1.00 0.00 H +ATOM 205 HA SER A 13 8.101 -6.173 2.933 1.00 0.00 H +ATOM 206 HB2 SER A 13 7.018 -8.273 2.935 1.00 0.00 H +ATOM 207 HB3 SER A 13 6.467 -7.386 4.343 1.00 0.00 H +ATOM 208 HG SER A 13 4.507 -6.893 3.104 1.00 0.00 H +ATOM 209 N SER A 14 6.343 -5.125 0.518 1.00 0.00 N +ATOM 210 CA SER A 14 6.214 -4.963 -0.941 1.00 0.00 C +ATOM 211 C SER A 14 7.325 -4.127 -1.595 1.00 0.00 C +ATOM 212 O SER A 14 7.306 -3.936 -2.809 1.00 0.00 O +ATOM 213 CB SER A 14 4.882 -4.280 -1.265 1.00 0.00 C +ATOM 214 OG SER A 14 3.823 -4.982 -0.663 1.00 0.00 O +ATOM 215 H SER A 14 5.902 -4.413 1.097 1.00 0.00 H +ATOM 216 HA SER A 14 6.217 -5.946 -1.415 1.00 0.00 H +ATOM 217 HB2 SER A 14 4.899 -3.274 -0.893 1.00 0.00 H +ATOM 218 HB3 SER A 14 4.731 -4.256 -2.345 1.00 0.00 H +ATOM 219 HG SER A 14 4.199 -5.674 -0.113 1.00 0.00 H +ATOM 220 N GLY A 15 8.258 -3.554 -0.822 1.00 0.00 N +ATOM 221 CA GLY A 15 9.356 -2.717 -1.330 1.00 0.00 C +ATOM 222 C GLY A 15 8.956 -1.287 -1.733 1.00 0.00 C +ATOM 223 O GLY A 15 9.753 -0.366 -1.564 1.00 0.00 O +ATOM 224 H GLY A 15 8.204 -3.723 0.175 1.00 0.00 H +ATOM 225 HA2 GLY A 15 10.135 -2.654 -0.570 1.00 0.00 H +ATOM 226 HA3 GLY A 15 9.789 -3.199 -2.207 1.00 0.00 H +ATOM 227 N ARG A 16 7.740 -1.078 -2.255 1.00 0.00 N +ATOM 228 CA ARG A 16 7.196 0.244 -2.606 1.00 0.00 C +ATOM 229 C ARG A 16 6.800 1.026 -1.334 1.00 0.00 C +ATOM 230 O ARG A 16 6.153 0.438 -0.465 1.00 0.00 O +ATOM 231 CB ARG A 16 6.004 0.043 -3.562 1.00 0.00 C +ATOM 232 CG ARG A 16 5.598 1.337 -4.286 1.00 0.00 C +ATOM 233 CD ARG A 16 4.649 1.070 -5.464 1.00 0.00 C +ATOM 234 NE ARG A 16 5.376 0.549 -6.647 1.00 0.00 N +ATOM 235 CZ ARG A 16 5.988 1.239 -7.584 1.00 0.00 C +ATOM 236 NH1 ARG A 16 6.011 2.568 -7.581 1.00 0.00 N +ATOM 237 NH2 ARG A 16 6.613 0.642 -8.574 1.00 0.00 N +ATOM 238 H ARG A 16 7.177 -1.909 -2.406 1.00 0.00 H +ATOM 239 HA ARG A 16 7.984 0.785 -3.128 1.00 0.00 H +ATOM 240 HB2 ARG A 16 6.273 -0.691 -4.297 1.00 0.00 H +ATOM 241 HB3 ARG A 16 5.146 -0.347 -3.007 1.00 0.00 H +ATOM 242 HG2 ARG A 16 5.106 1.985 -3.586 1.00 0.00 H +ATOM 243 HG3 ARG A 16 6.488 1.833 -4.670 1.00 0.00 H +ATOM 244 HD2 ARG A 16 3.914 0.349 -5.162 1.00 0.00 H +ATOM 245 HD3 ARG A 16 4.142 2.000 -5.728 1.00 0.00 H +ATOM 246 HE ARG A 16 5.404 -0.458 -6.736 1.00 0.00 H +ATOM 247 HH11 ARG A 16 5.535 3.037 -6.833 1.00 0.00 H +ATOM 248 HH12 ARG A 16 6.471 3.081 -8.301 1.00 0.00 H +ATOM 249 HH21 ARG A 16 6.628 -0.366 -8.623 1.00 0.00 H +ATOM 250 HH22 ARG A 16 7.076 1.176 -9.280 1.00 0.00 H +ATOM 251 N PRO A 17 7.126 2.330 -1.200 1.00 0.00 N +ATOM 252 CA PRO A 17 6.809 3.113 0.002 1.00 0.00 C +ATOM 253 C PRO A 17 5.294 3.369 0.169 1.00 0.00 C +ATOM 254 O PRO A 17 4.551 3.273 -0.812 1.00 0.00 O +ATOM 255 CB PRO A 17 7.588 4.425 -0.160 1.00 0.00 C +ATOM 256 CG PRO A 17 7.688 4.594 -1.672 1.00 0.00 C +ATOM 257 CD PRO A 17 7.850 3.156 -2.157 1.00 0.00 C +ATOM 258 HA PRO A 17 7.177 2.582 0.880 1.00 0.00 H +ATOM 259 HB2 PRO A 17 7.056 5.245 0.283 1.00 0.00 H +ATOM 260 HB3 PRO A 17 8.589 4.309 0.258 1.00 0.00 H +ATOM 261 HG2 PRO A 17 6.798 5.040 -2.072 1.00 0.00 H +ATOM 262 HG3 PRO A 17 8.535 5.216 -1.960 1.00 0.00 H +ATOM 263 HD2 PRO A 17 7.432 3.044 -3.139 1.00 0.00 H +ATOM 264 HD3 PRO A 17 8.905 2.879 -2.151 1.00 0.00 H +ATOM 265 N PRO A 18 4.828 3.720 1.386 1.00 0.00 N +ATOM 266 CA PRO A 18 3.415 3.979 1.661 1.00 0.00 C +ATOM 267 C PRO A 18 2.921 5.257 0.956 1.00 0.00 C +ATOM 268 O PRO A 18 3.633 6.262 0.960 1.00 0.00 O +ATOM 269 CB PRO A 18 3.307 4.111 3.185 1.00 0.00 C +ATOM 270 CG PRO A 18 4.701 4.568 3.609 1.00 0.00 C +ATOM 271 CD PRO A 18 5.614 3.867 2.605 1.00 0.00 C +ATOM 272 HA PRO A 18 2.830 3.121 1.340 1.00 0.00 H +ATOM 273 HB2 PRO A 18 2.567 4.840 3.454 1.00 0.00 H +ATOM 274 HB3 PRO A 18 3.099 3.135 3.621 1.00 0.00 H +ATOM 275 HG2 PRO A 18 4.796 5.634 3.537 1.00 0.00 H +ATOM 276 HG3 PRO A 18 4.929 4.279 4.636 1.00 0.00 H +ATOM 277 HD2 PRO A 18 6.488 4.461 2.417 1.00 0.00 H +ATOM 278 HD3 PRO A 18 5.884 2.880 2.982 1.00 0.00 H +ATOM 279 N PRO A 19 1.704 5.254 0.376 1.00 0.00 N +ATOM 280 CA PRO A 19 1.131 6.433 -0.268 1.00 0.00 C +ATOM 281 C PRO A 19 0.578 7.422 0.772 1.00 0.00 C +ATOM 282 O PRO A 19 -0.096 7.022 1.725 1.00 0.00 O +ATOM 283 CB PRO A 19 0.032 5.878 -1.180 1.00 0.00 C +ATOM 284 CG PRO A 19 -0.464 4.639 -0.433 1.00 0.00 C +ATOM 285 CD PRO A 19 0.792 4.121 0.270 1.00 0.00 C +ATOM 286 HA PRO A 19 1.886 6.934 -0.875 1.00 0.00 H +ATOM 287 HB2 PRO A 19 -0.759 6.592 -1.305 1.00 0.00 H +ATOM 288 HB3 PRO A 19 0.474 5.572 -2.129 1.00 0.00 H +ATOM 289 HG2 PRO A 19 -1.223 4.899 0.279 1.00 0.00 H +ATOM 290 HG3 PRO A 19 -0.879 3.897 -1.115 1.00 0.00 H +ATOM 291 HD2 PRO A 19 0.545 3.752 1.247 1.00 0.00 H +ATOM 292 HD3 PRO A 19 1.257 3.344 -0.337 1.00 0.00 H +ATOM 293 N SER A 20 0.825 8.716 0.549 1.00 0.00 N +ATOM 294 CA SER A 20 0.360 9.847 1.362 1.00 0.00 C +ATOM 295 C SER A 20 -0.255 10.948 0.496 1.00 0.00 C +ATOM 296 O SER A 20 0.173 11.092 -0.672 1.00 0.00 O +ATOM 297 CB SER A 20 1.496 10.383 2.241 1.00 0.00 C +ATOM 298 OG SER A 20 2.667 10.641 1.485 1.00 0.00 O +ATOM 299 OXT SER A 20 -1.188 11.592 1.023 1.00 0.00 O +ATOM 300 H SER A 20 1.372 9.005 -0.251 1.00 0.00 H +ATOM 301 HA SER A 20 -0.439 9.514 2.020 1.00 0.00 H +ATOM 302 HB2 SER A 20 1.175 11.295 2.707 1.00 0.00 H +ATOM 303 HB3 SER A 20 1.726 9.639 3.008 1.00 0.00 H +ATOM 304 HG SER A 20 3.313 11.084 2.036 1.00 0.00 H +TER 305 SER A 20 +ENDMDL +MODEL 32 +ATOM 1 N ASN A 1 -6.852 6.802 0.784 1.00 0.00 N +ATOM 2 CA ASN A 1 -7.569 5.905 -0.155 1.00 0.00 C +ATOM 3 C ASN A 1 -6.675 4.784 -0.685 1.00 0.00 C +ATOM 4 O ASN A 1 -6.907 3.637 -0.312 1.00 0.00 O +ATOM 5 CB ASN A 1 -8.306 6.688 -1.259 1.00 0.00 C +ATOM 6 CG ASN A 1 -9.658 7.144 -0.720 1.00 0.00 C +ATOM 7 OD1 ASN A 1 -10.402 6.342 -0.185 1.00 0.00 O +ATOM 8 ND2 ASN A 1 -9.997 8.418 -0.771 1.00 0.00 N +ATOM 9 H1 ASN A 1 -6.406 6.262 1.512 1.00 0.00 H +ATOM 10 H2 ASN A 1 -6.150 7.342 0.294 1.00 0.00 H +ATOM 11 H3 ASN A 1 -7.507 7.441 1.214 1.00 0.00 H +ATOM 12 HA ASN A 1 -8.341 5.383 0.416 1.00 0.00 H +ATOM 13 HB2 ASN A 1 -7.724 7.543 -1.544 1.00 0.00 H +ATOM 14 HB3 ASN A 1 -8.496 6.032 -2.110 1.00 0.00 H +ATOM 15 HD21 ASN A 1 -9.452 9.144 -1.207 1.00 0.00 H +ATOM 16 HD22 ASN A 1 -10.916 8.601 -0.396 1.00 0.00 H +ATOM 17 N LEU A 2 -5.641 5.081 -1.489 1.00 0.00 N +ATOM 18 CA LEU A 2 -4.771 4.070 -2.118 1.00 0.00 C +ATOM 19 C LEU A 2 -4.066 3.118 -1.122 1.00 0.00 C +ATOM 20 O LEU A 2 -3.610 2.044 -1.507 1.00 0.00 O +ATOM 21 CB LEU A 2 -3.736 4.788 -3.009 1.00 0.00 C +ATOM 22 CG LEU A 2 -3.207 3.896 -4.155 1.00 0.00 C +ATOM 23 CD1 LEU A 2 -4.121 3.970 -5.385 1.00 0.00 C +ATOM 24 CD2 LEU A 2 -1.783 4.286 -4.551 1.00 0.00 C +ATOM 25 H LEU A 2 -5.488 6.032 -1.793 1.00 0.00 H +ATOM 26 HA LEU A 2 -5.401 3.449 -2.761 1.00 0.00 H +ATOM 27 HB2 LEU A 2 -4.197 5.657 -3.437 1.00 0.00 H +ATOM 28 HB3 LEU A 2 -2.911 5.107 -2.379 1.00 0.00 H +ATOM 29 HG LEU A 2 -3.172 2.861 -3.826 1.00 0.00 H +ATOM 30 HD11 LEU A 2 -5.104 4.362 -5.124 1.00 0.00 H +ATOM 31 HD12 LEU A 2 -3.683 4.602 -6.157 1.00 0.00 H +ATOM 32 HD13 LEU A 2 -4.253 2.966 -5.790 1.00 0.00 H +ATOM 33 HD21 LEU A 2 -1.718 5.358 -4.736 1.00 0.00 H +ATOM 34 HD22 LEU A 2 -1.099 4.008 -3.752 1.00 0.00 H +ATOM 35 HD23 LEU A 2 -1.488 3.743 -5.449 1.00 0.00 H +ATOM 36 N TYR A 3 -4.017 3.470 0.169 1.00 0.00 N +ATOM 37 CA TYR A 3 -3.452 2.660 1.248 1.00 0.00 C +ATOM 38 C TYR A 3 -4.002 1.221 1.271 1.00 0.00 C +ATOM 39 O TYR A 3 -3.253 0.284 1.527 1.00 0.00 O +ATOM 40 CB TYR A 3 -3.690 3.373 2.590 1.00 0.00 C +ATOM 41 CG TYR A 3 -2.578 3.161 3.597 1.00 0.00 C +ATOM 42 CD1 TYR A 3 -2.514 1.966 4.339 1.00 0.00 C +ATOM 43 CD2 TYR A 3 -1.601 4.161 3.787 1.00 0.00 C +ATOM 44 CE1 TYR A 3 -1.479 1.768 5.270 1.00 0.00 C +ATOM 45 CE2 TYR A 3 -0.567 3.969 4.722 1.00 0.00 C +ATOM 46 CZ TYR A 3 -0.503 2.769 5.464 1.00 0.00 C +ATOM 47 OH TYR A 3 0.485 2.574 6.378 1.00 0.00 O +ATOM 48 H TYR A 3 -4.399 4.368 0.410 1.00 0.00 H +ATOM 49 HA TYR A 3 -2.376 2.600 1.088 1.00 0.00 H +ATOM 50 HB2 TYR A 3 -3.782 4.426 2.403 1.00 0.00 H +ATOM 51 HB3 TYR A 3 -4.635 3.037 3.021 1.00 0.00 H +ATOM 52 HD1 TYR A 3 -3.259 1.196 4.191 1.00 0.00 H +ATOM 53 HD2 TYR A 3 -1.635 5.081 3.217 1.00 0.00 H +ATOM 54 HE1 TYR A 3 -1.416 0.856 5.843 1.00 0.00 H +ATOM 55 HE2 TYR A 3 0.180 4.734 4.872 1.00 0.00 H +ATOM 56 HH TYR A 3 0.286 3.012 7.208 1.00 0.00 H +ATOM 57 N ILE A 4 -5.291 1.031 0.946 1.00 0.00 N +ATOM 58 CA ILE A 4 -5.931 -0.293 0.853 1.00 0.00 C +ATOM 59 C ILE A 4 -5.280 -1.132 -0.262 1.00 0.00 C +ATOM 60 O ILE A 4 -4.975 -2.308 -0.057 1.00 0.00 O +ATOM 61 CB ILE A 4 -7.452 -0.139 0.612 1.00 0.00 C +ATOM 62 CG1 ILE A 4 -8.150 0.694 1.716 1.00 0.00 C +ATOM 63 CG2 ILE A 4 -8.133 -1.519 0.519 1.00 0.00 C +ATOM 64 CD1 ILE A 4 -9.405 1.406 1.195 1.00 0.00 C +ATOM 65 H ILE A 4 -5.843 1.851 0.722 1.00 0.00 H +ATOM 66 HA ILE A 4 -5.780 -0.822 1.794 1.00 0.00 H +ATOM 67 HB ILE A 4 -7.585 0.372 -0.343 1.00 0.00 H +ATOM 68 HG12 ILE A 4 -8.432 0.039 2.518 1.00 0.00 H +ATOM 69 HG13 ILE A 4 -7.485 1.468 2.099 1.00 0.00 H +ATOM 70 HG21 ILE A 4 -7.763 -2.077 -0.343 1.00 0.00 H +ATOM 71 HG22 ILE A 4 -7.934 -2.097 1.423 1.00 0.00 H +ATOM 72 HG23 ILE A 4 -9.211 -1.406 0.405 1.00 0.00 H +ATOM 73 HD11 ILE A 4 -9.143 2.050 0.354 1.00 0.00 H +ATOM 74 HD12 ILE A 4 -10.152 0.681 0.875 1.00 0.00 H +ATOM 75 HD13 ILE A 4 -9.826 2.022 1.989 1.00 0.00 H +ATOM 76 N GLN A 5 -5.043 -0.527 -1.433 1.00 0.00 N +ATOM 77 CA GLN A 5 -4.319 -1.165 -2.532 1.00 0.00 C +ATOM 78 C GLN A 5 -2.856 -1.426 -2.147 1.00 0.00 C +ATOM 79 O GLN A 5 -2.382 -2.537 -2.342 1.00 0.00 O +ATOM 80 CB GLN A 5 -4.432 -0.330 -3.822 1.00 0.00 C +ATOM 81 CG GLN A 5 -5.812 -0.453 -4.498 1.00 0.00 C +ATOM 82 CD GLN A 5 -6.574 0.869 -4.544 1.00 0.00 C +ATOM 83 OE1 GLN A 5 -6.511 1.619 -5.500 1.00 0.00 O +ATOM 84 NE2 GLN A 5 -7.337 1.205 -3.520 1.00 0.00 N +ATOM 85 H GLN A 5 -5.183 0.474 -1.483 1.00 0.00 H +ATOM 86 HA GLN A 5 -4.763 -2.143 -2.723 1.00 0.00 H +ATOM 87 HB2 GLN A 5 -4.261 0.701 -3.579 1.00 0.00 H +ATOM 88 HB3 GLN A 5 -3.682 -0.687 -4.528 1.00 0.00 H +ATOM 89 HG2 GLN A 5 -5.671 -0.801 -5.503 1.00 0.00 H +ATOM 90 HG3 GLN A 5 -6.424 -1.202 -3.994 1.00 0.00 H +ATOM 91 HE21 GLN A 5 -7.488 0.604 -2.731 1.00 0.00 H +ATOM 92 HE22 GLN A 5 -7.851 2.055 -3.678 1.00 0.00 H +ATOM 93 N TRP A 6 -2.161 -0.464 -1.529 1.00 0.00 N +ATOM 94 CA TRP A 6 -0.783 -0.667 -1.057 1.00 0.00 C +ATOM 95 C TRP A 6 -0.645 -1.797 -0.021 1.00 0.00 C +ATOM 96 O TRP A 6 0.314 -2.570 -0.062 1.00 0.00 O +ATOM 97 CB TRP A 6 -0.249 0.652 -0.495 1.00 0.00 C +ATOM 98 CG TRP A 6 1.135 0.570 0.072 1.00 0.00 C +ATOM 99 CD1 TRP A 6 2.275 0.562 -0.652 1.00 0.00 C +ATOM 100 CD2 TRP A 6 1.545 0.458 1.469 1.00 0.00 C +ATOM 101 NE1 TRP A 6 3.360 0.439 0.197 1.00 0.00 N +ATOM 102 CE2 TRP A 6 2.968 0.390 1.513 1.00 0.00 C +ATOM 103 CE3 TRP A 6 0.867 0.423 2.708 1.00 0.00 C +ATOM 104 CZ2 TRP A 6 3.691 0.320 2.711 1.00 0.00 C +ATOM 105 CZ3 TRP A 6 1.580 0.342 3.919 1.00 0.00 C +ATOM 106 CH2 TRP A 6 2.987 0.304 3.924 1.00 0.00 C +ATOM 107 H TRP A 6 -2.607 0.442 -1.410 1.00 0.00 H +ATOM 108 HA TRP A 6 -0.164 -0.953 -1.911 1.00 0.00 H +ATOM 109 HB2 TRP A 6 -0.245 1.376 -1.287 1.00 0.00 H +ATOM 110 HB3 TRP A 6 -0.917 0.998 0.291 1.00 0.00 H +ATOM 111 HD1 TRP A 6 2.321 0.634 -1.731 1.00 0.00 H +ATOM 112 HE1 TRP A 6 4.338 0.431 -0.094 1.00 0.00 H +ATOM 113 HE3 TRP A 6 -0.213 0.476 2.719 1.00 0.00 H +ATOM 114 HZ2 TRP A 6 4.771 0.289 2.684 1.00 0.00 H +ATOM 115 HZ3 TRP A 6 1.047 0.329 4.859 1.00 0.00 H +ATOM 116 HH2 TRP A 6 3.522 0.272 4.860 1.00 0.00 H +ATOM 117 N LEU A 7 -1.613 -1.946 0.894 1.00 0.00 N +ATOM 118 CA LEU A 7 -1.654 -3.093 1.806 1.00 0.00 C +ATOM 119 C LEU A 7 -1.835 -4.426 1.058 1.00 0.00 C +ATOM 120 O LEU A 7 -1.246 -5.420 1.478 1.00 0.00 O +ATOM 121 CB LEU A 7 -2.752 -2.898 2.866 1.00 0.00 C +ATOM 122 CG LEU A 7 -2.416 -1.848 3.943 1.00 0.00 C +ATOM 123 CD1 LEU A 7 -3.648 -1.629 4.827 1.00 0.00 C +ATOM 124 CD2 LEU A 7 -1.246 -2.272 4.838 1.00 0.00 C +ATOM 125 H LEU A 7 -2.340 -1.237 0.952 1.00 0.00 H +ATOM 126 HA LEU A 7 -0.691 -3.164 2.309 1.00 0.00 H +ATOM 127 HB2 LEU A 7 -3.651 -2.591 2.366 1.00 0.00 H +ATOM 128 HB3 LEU A 7 -2.928 -3.852 3.365 1.00 0.00 H +ATOM 129 HG LEU A 7 -2.156 -0.903 3.474 1.00 0.00 H +ATOM 130 HD11 LEU A 7 -4.482 -1.286 4.215 1.00 0.00 H +ATOM 131 HD12 LEU A 7 -3.923 -2.562 5.321 1.00 0.00 H +ATOM 132 HD13 LEU A 7 -3.435 -0.875 5.585 1.00 0.00 H +ATOM 133 HD21 LEU A 7 -1.429 -3.262 5.255 1.00 0.00 H +ATOM 134 HD22 LEU A 7 -0.321 -2.286 4.263 1.00 0.00 H +ATOM 135 HD23 LEU A 7 -1.123 -1.560 5.652 1.00 0.00 H +ATOM 136 N LYS A 8 -2.573 -4.450 -0.065 1.00 0.00 N +ATOM 137 CA LYS A 8 -2.753 -5.637 -0.920 1.00 0.00 C +ATOM 138 C LYS A 8 -1.423 -6.194 -1.444 1.00 0.00 C +ATOM 139 O LYS A 8 -1.285 -7.410 -1.532 1.00 0.00 O +ATOM 140 CB LYS A 8 -3.680 -5.295 -2.099 1.00 0.00 C +ATOM 141 CG LYS A 8 -4.298 -6.504 -2.814 1.00 0.00 C +ATOM 142 CD LYS A 8 -5.536 -7.065 -2.098 1.00 0.00 C +ATOM 143 CE LYS A 8 -6.303 -8.006 -3.036 1.00 0.00 C +ATOM 144 NZ LYS A 8 -7.007 -7.254 -4.106 1.00 0.00 N +ATOM 145 H LYS A 8 -2.995 -3.577 -0.362 1.00 0.00 H +ATOM 146 HA LYS A 8 -3.211 -6.421 -0.316 1.00 0.00 H +ATOM 147 HB2 LYS A 8 -4.480 -4.685 -1.727 1.00 0.00 H +ATOM 148 HB3 LYS A 8 -3.094 -4.770 -2.849 1.00 0.00 H +ATOM 149 HG2 LYS A 8 -4.583 -6.205 -3.804 1.00 0.00 H +ATOM 150 HG3 LYS A 8 -3.557 -7.296 -2.934 1.00 0.00 H +ATOM 151 HD2 LYS A 8 -5.227 -7.608 -1.225 1.00 0.00 H +ATOM 152 HD3 LYS A 8 -6.190 -6.253 -1.779 1.00 0.00 H +ATOM 153 HE2 LYS A 8 -5.610 -8.689 -3.488 1.00 0.00 H +ATOM 154 HE3 LYS A 8 -7.027 -8.580 -2.453 1.00 0.00 H +ATOM 155 HZ1 LYS A 8 -7.790 -6.744 -3.720 1.00 0.00 H +ATOM 156 HZ2 LYS A 8 -6.372 -6.589 -4.533 1.00 0.00 H +ATOM 157 HZ3 LYS A 8 -7.345 -7.883 -4.822 1.00 0.00 H +ATOM 158 N ASP A 9 -0.447 -5.329 -1.753 1.00 0.00 N +ATOM 159 CA ASP A 9 0.910 -5.749 -2.133 1.00 0.00 C +ATOM 160 C ASP A 9 1.670 -6.459 -0.990 1.00 0.00 C +ATOM 161 O ASP A 9 2.622 -7.186 -1.270 1.00 0.00 O +ATOM 162 CB ASP A 9 1.736 -4.535 -2.594 1.00 0.00 C +ATOM 163 CG ASP A 9 1.220 -3.854 -3.861 1.00 0.00 C +ATOM 164 OD1 ASP A 9 1.591 -4.337 -4.953 1.00 0.00 O +ATOM 165 OD2 ASP A 9 0.541 -2.814 -3.721 1.00 0.00 O +ATOM 166 H ASP A 9 -0.655 -4.337 -1.719 1.00 0.00 H +ATOM 167 HA ASP A 9 0.844 -6.450 -2.966 1.00 0.00 H +ATOM 168 HB2 ASP A 9 1.736 -3.811 -1.802 1.00 0.00 H +ATOM 169 HB3 ASP A 9 2.749 -4.874 -2.808 1.00 0.00 H +ATOM 170 N GLY A 10 1.257 -6.258 0.274 1.00 0.00 N +ATOM 171 CA GLY A 10 1.961 -6.712 1.480 1.00 0.00 C +ATOM 172 C GLY A 10 2.411 -5.586 2.425 1.00 0.00 C +ATOM 173 O GLY A 10 3.160 -5.849 3.367 1.00 0.00 O +ATOM 174 H GLY A 10 0.383 -5.760 0.408 1.00 0.00 H +ATOM 175 HA2 GLY A 10 1.304 -7.377 2.037 1.00 0.00 H +ATOM 176 HA3 GLY A 10 2.850 -7.277 1.196 1.00 0.00 H +ATOM 177 N GLY A 11 2.008 -4.326 2.183 1.00 0.00 N +ATOM 178 CA GLY A 11 2.450 -3.174 2.973 1.00 0.00 C +ATOM 179 C GLY A 11 3.980 -2.984 2.932 1.00 0.00 C +ATOM 180 O GLY A 11 4.559 -3.040 1.839 1.00 0.00 O +ATOM 181 H GLY A 11 1.456 -4.151 1.354 1.00 0.00 H +ATOM 182 HA2 GLY A 11 1.984 -2.274 2.571 1.00 0.00 H +ATOM 183 HA3 GLY A 11 2.101 -3.314 3.994 1.00 0.00 H +ATOM 184 N PRO A 12 4.665 -2.766 4.078 1.00 0.00 N +ATOM 185 CA PRO A 12 6.116 -2.537 4.125 1.00 0.00 C +ATOM 186 C PRO A 12 6.959 -3.639 3.466 1.00 0.00 C +ATOM 187 O PRO A 12 8.019 -3.357 2.912 1.00 0.00 O +ATOM 188 CB PRO A 12 6.477 -2.417 5.612 1.00 0.00 C +ATOM 189 CG PRO A 12 5.164 -2.042 6.293 1.00 0.00 C +ATOM 190 CD PRO A 12 4.110 -2.726 5.425 1.00 0.00 C +ATOM 191 HA PRO A 12 6.331 -1.590 3.630 1.00 0.00 H +ATOM 192 HB2 PRO A 12 6.847 -3.351 5.989 1.00 0.00 H +ATOM 193 HB3 PRO A 12 7.243 -1.658 5.777 1.00 0.00 H +ATOM 194 HG2 PRO A 12 5.133 -2.413 7.299 1.00 0.00 H +ATOM 195 HG3 PRO A 12 5.028 -0.961 6.254 1.00 0.00 H +ATOM 196 HD2 PRO A 12 3.922 -3.721 5.781 1.00 0.00 H +ATOM 197 HD3 PRO A 12 3.178 -2.162 5.468 1.00 0.00 H +ATOM 198 N SER A 13 6.486 -4.890 3.490 1.00 0.00 N +ATOM 199 CA SER A 13 7.202 -6.073 2.992 1.00 0.00 C +ATOM 200 C SER A 13 7.143 -6.241 1.464 1.00 0.00 C +ATOM 201 O SER A 13 7.476 -7.309 0.957 1.00 0.00 O +ATOM 202 CB SER A 13 6.669 -7.320 3.710 1.00 0.00 C +ATOM 203 OG SER A 13 6.903 -7.208 5.102 1.00 0.00 O +ATOM 204 H SER A 13 5.586 -5.054 3.924 1.00 0.00 H +ATOM 205 HA SER A 13 8.256 -5.969 3.247 1.00 0.00 H +ATOM 206 HB2 SER A 13 5.615 -7.410 3.532 1.00 0.00 H +ATOM 207 HB3 SER A 13 7.175 -8.210 3.337 1.00 0.00 H +ATOM 208 HG SER A 13 7.852 -7.195 5.257 1.00 0.00 H +ATOM 209 N SER A 14 6.739 -5.198 0.725 1.00 0.00 N +ATOM 210 CA SER A 14 6.405 -5.266 -0.708 1.00 0.00 C +ATOM 211 C SER A 14 7.371 -4.503 -1.623 1.00 0.00 C +ATOM 212 O SER A 14 7.116 -4.406 -2.826 1.00 0.00 O +ATOM 213 CB SER A 14 4.983 -4.759 -0.973 1.00 0.00 C +ATOM 214 OG SER A 14 4.134 -4.862 0.138 1.00 0.00 O +ATOM 215 H SER A 14 6.478 -4.368 1.241 1.00 0.00 H +ATOM 216 HA SER A 14 6.427 -6.311 -1.020 1.00 0.00 H +ATOM 217 HB2 SER A 14 5.039 -3.727 -1.263 1.00 0.00 H +ATOM 218 HB3 SER A 14 4.571 -5.340 -1.796 1.00 0.00 H +ATOM 219 HG SER A 14 4.313 -4.115 0.764 1.00 0.00 H +ATOM 220 N GLY A 15 8.442 -3.922 -1.059 1.00 0.00 N +ATOM 221 CA GLY A 15 9.474 -3.182 -1.792 1.00 0.00 C +ATOM 222 C GLY A 15 9.029 -1.817 -2.334 1.00 0.00 C +ATOM 223 O GLY A 15 9.636 -1.322 -3.282 1.00 0.00 O +ATOM 224 H GLY A 15 8.567 -4.078 -0.067 1.00 0.00 H +ATOM 225 HA2 GLY A 15 10.326 -3.018 -1.132 1.00 0.00 H +ATOM 226 HA3 GLY A 15 9.816 -3.786 -2.634 1.00 0.00 H +ATOM 227 N ARG A 16 7.971 -1.217 -1.769 1.00 0.00 N +ATOM 228 CA ARG A 16 7.354 0.032 -2.244 1.00 0.00 C +ATOM 229 C ARG A 16 6.844 0.894 -1.071 1.00 0.00 C +ATOM 230 O ARG A 16 6.204 0.347 -0.168 1.00 0.00 O +ATOM 231 CB ARG A 16 6.234 -0.313 -3.248 1.00 0.00 C +ATOM 232 CG ARG A 16 5.064 -1.085 -2.611 1.00 0.00 C +ATOM 233 CD ARG A 16 4.139 -1.794 -3.605 1.00 0.00 C +ATOM 234 NE ARG A 16 4.801 -2.956 -4.225 1.00 0.00 N +ATOM 235 CZ ARG A 16 5.278 -3.071 -5.455 1.00 0.00 C +ATOM 236 NH1 ARG A 16 5.210 -2.093 -6.329 1.00 0.00 N +ATOM 237 NH2 ARG A 16 5.864 -4.186 -5.822 1.00 0.00 N +ATOM 238 H ARG A 16 7.549 -1.675 -0.973 1.00 0.00 H +ATOM 239 HA ARG A 16 8.120 0.589 -2.783 1.00 0.00 H +ATOM 240 HB2 ARG A 16 5.854 0.601 -3.662 1.00 0.00 H +ATOM 241 HB3 ARG A 16 6.672 -0.909 -4.049 1.00 0.00 H +ATOM 242 HG2 ARG A 16 5.474 -1.825 -1.951 1.00 0.00 H +ATOM 243 HG3 ARG A 16 4.465 -0.382 -2.044 1.00 0.00 H +ATOM 244 HD2 ARG A 16 3.261 -2.128 -3.087 1.00 0.00 H +ATOM 245 HD3 ARG A 16 3.785 -1.084 -4.353 1.00 0.00 H +ATOM 246 HE ARG A 16 4.929 -3.770 -3.646 1.00 0.00 H +ATOM 247 HH11 ARG A 16 4.742 -1.252 -6.044 1.00 0.00 H +ATOM 248 HH12 ARG A 16 5.588 -2.189 -7.251 1.00 0.00 H +ATOM 249 HH21 ARG A 16 5.998 -4.910 -5.134 1.00 0.00 H +ATOM 250 HH22 ARG A 16 6.200 -4.304 -6.756 1.00 0.00 H +ATOM 251 N PRO A 17 7.087 2.220 -1.065 1.00 0.00 N +ATOM 252 CA PRO A 17 6.655 3.106 0.019 1.00 0.00 C +ATOM 253 C PRO A 17 5.123 3.267 0.052 1.00 0.00 C +ATOM 254 O PRO A 17 4.470 3.043 -0.971 1.00 0.00 O +ATOM 255 CB PRO A 17 7.355 4.442 -0.256 1.00 0.00 C +ATOM 256 CG PRO A 17 7.509 4.455 -1.776 1.00 0.00 C +ATOM 257 CD PRO A 17 7.758 2.986 -2.109 1.00 0.00 C +ATOM 258 HA PRO A 17 6.997 2.705 0.974 1.00 0.00 H +ATOM 259 HB2 PRO A 17 6.753 5.266 0.076 1.00 0.00 H +ATOM 260 HB3 PRO A 17 8.342 4.438 0.209 1.00 0.00 H +ATOM 261 HG2 PRO A 17 6.616 4.812 -2.251 1.00 0.00 H +ATOM 262 HG3 PRO A 17 8.338 5.087 -2.096 1.00 0.00 H +ATOM 263 HD2 PRO A 17 7.347 2.746 -3.071 1.00 0.00 H +ATOM 264 HD3 PRO A 17 8.828 2.777 -2.079 1.00 0.00 H +ATOM 265 N PRO A 18 4.537 3.673 1.196 1.00 0.00 N +ATOM 266 CA PRO A 18 3.102 3.903 1.304 1.00 0.00 C +ATOM 267 C PRO A 18 2.667 5.149 0.509 1.00 0.00 C +ATOM 268 O PRO A 18 3.454 6.085 0.353 1.00 0.00 O +ATOM 269 CB PRO A 18 2.819 4.069 2.799 1.00 0.00 C +ATOM 270 CG PRO A 18 4.134 4.621 3.345 1.00 0.00 C +ATOM 271 CD PRO A 18 5.189 3.944 2.471 1.00 0.00 C +ATOM 272 HA PRO A 18 2.575 3.028 0.934 1.00 0.00 H +ATOM 273 HB2 PRO A 18 2.014 4.759 2.964 1.00 0.00 H +ATOM 274 HB3 PRO A 18 2.618 3.095 3.244 1.00 0.00 H +ATOM 275 HG2 PRO A 18 4.176 5.688 3.241 1.00 0.00 H +ATOM 276 HG3 PRO A 18 4.266 4.380 4.399 1.00 0.00 H +ATOM 277 HD2 PRO A 18 6.030 4.595 2.329 1.00 0.00 H +ATOM 278 HD3 PRO A 18 5.495 3.002 2.927 1.00 0.00 H +ATOM 279 N PRO A 19 1.416 5.184 0.020 1.00 0.00 N +ATOM 280 CA PRO A 19 0.856 6.338 -0.670 1.00 0.00 C +ATOM 281 C PRO A 19 0.274 7.370 0.308 1.00 0.00 C +ATOM 282 O PRO A 19 -0.285 7.006 1.346 1.00 0.00 O +ATOM 283 CB PRO A 19 -0.241 5.744 -1.552 1.00 0.00 C +ATOM 284 CG PRO A 19 -0.772 4.583 -0.706 1.00 0.00 C +ATOM 285 CD PRO A 19 0.476 4.073 0.003 1.00 0.00 C +ATOM 286 HA PRO A 19 1.613 6.813 -1.296 1.00 0.00 H +ATOM 287 HB2 PRO A 19 -1.012 6.464 -1.746 1.00 0.00 H +ATOM 288 HB3 PRO A 19 0.214 5.358 -2.465 1.00 0.00 H +ATOM 289 HG2 PRO A 19 -1.504 4.924 0.000 1.00 0.00 H +ATOM 290 HG3 PRO A 19 -1.221 3.803 -1.320 1.00 0.00 H +ATOM 291 HD2 PRO A 19 0.238 3.772 1.005 1.00 0.00 H +ATOM 292 HD3 PRO A 19 0.911 3.257 -0.574 1.00 0.00 H +ATOM 293 N SER A 20 0.317 8.642 -0.115 1.00 0.00 N +ATOM 294 CA SER A 20 -0.113 9.835 0.640 1.00 0.00 C +ATOM 295 C SER A 20 0.639 10.031 1.968 1.00 0.00 C +ATOM 296 O SER A 20 0.066 10.720 2.840 1.00 0.00 O +ATOM 297 CB SER A 20 -1.636 9.826 0.849 1.00 0.00 C +ATOM 298 OG SER A 20 -2.305 9.711 -0.395 1.00 0.00 O +ATOM 299 OXT SER A 20 1.796 9.565 2.056 1.00 0.00 O +ATOM 300 H SER A 20 0.838 8.806 -0.960 1.00 0.00 H +ATOM 301 HA SER A 20 0.140 10.716 0.055 1.00 0.00 H +ATOM 302 HB2 SER A 20 -1.902 8.994 1.472 1.00 0.00 H +ATOM 303 HB3 SER A 20 -1.934 10.755 1.339 1.00 0.00 H +ATOM 304 HG SER A 20 -1.851 10.287 -1.014 1.00 0.00 H +TER 305 SER A 20 +ENDMDL +MODEL 33 +ATOM 1 N ASN A 1 -9.696 2.810 -1.214 1.00 0.00 N +ATOM 2 CA ASN A 1 -8.702 3.862 -0.904 1.00 0.00 C +ATOM 3 C ASN A 1 -7.320 3.416 -1.392 1.00 0.00 C +ATOM 4 O ASN A 1 -7.058 2.216 -1.401 1.00 0.00 O +ATOM 5 CB ASN A 1 -8.682 4.180 0.603 1.00 0.00 C +ATOM 6 CG ASN A 1 -7.901 5.460 0.875 1.00 0.00 C +ATOM 7 OD1 ASN A 1 -6.683 5.431 0.961 1.00 0.00 O +ATOM 8 ND2 ASN A 1 -8.563 6.601 0.949 1.00 0.00 N +ATOM 9 H1 ASN A 1 -9.798 2.712 -2.215 1.00 0.00 H +ATOM 10 H2 ASN A 1 -9.371 1.928 -0.840 1.00 0.00 H +ATOM 11 H3 ASN A 1 -10.593 3.041 -0.806 1.00 0.00 H +ATOM 12 HA ASN A 1 -8.978 4.770 -1.442 1.00 0.00 H +ATOM 13 HB2 ASN A 1 -9.690 4.302 0.950 1.00 0.00 H +ATOM 14 HB3 ASN A 1 -8.208 3.365 1.150 1.00 0.00 H +ATOM 15 HD21 ASN A 1 -9.568 6.669 0.919 1.00 0.00 H +ATOM 16 HD22 ASN A 1 -7.997 7.418 1.129 1.00 0.00 H +ATOM 17 N LEU A 2 -6.450 4.362 -1.773 1.00 0.00 N +ATOM 18 CA LEU A 2 -5.070 4.110 -2.206 1.00 0.00 C +ATOM 19 C LEU A 2 -4.261 3.274 -1.198 1.00 0.00 C +ATOM 20 O LEU A 2 -3.535 2.363 -1.600 1.00 0.00 O +ATOM 21 CB LEU A 2 -4.351 5.440 -2.547 1.00 0.00 C +ATOM 22 CG LEU A 2 -4.514 6.597 -1.528 1.00 0.00 C +ATOM 23 CD1 LEU A 2 -3.229 7.411 -1.372 1.00 0.00 C +ATOM 24 CD2 LEU A 2 -5.623 7.572 -1.951 1.00 0.00 C +ATOM 25 H LEU A 2 -6.706 5.331 -1.654 1.00 0.00 H +ATOM 26 HA LEU A 2 -5.109 3.519 -3.122 1.00 0.00 H +ATOM 27 HB2 LEU A 2 -3.303 5.230 -2.636 1.00 0.00 H +ATOM 28 HB3 LEU A 2 -4.699 5.782 -3.523 1.00 0.00 H +ATOM 29 HG LEU A 2 -4.759 6.191 -0.552 1.00 0.00 H +ATOM 30 HD11 LEU A 2 -2.500 6.830 -0.816 1.00 0.00 H +ATOM 31 HD12 LEU A 2 -2.824 7.681 -2.347 1.00 0.00 H +ATOM 32 HD13 LEU A 2 -3.422 8.320 -0.800 1.00 0.00 H +ATOM 33 HD21 LEU A 2 -5.295 8.148 -2.819 1.00 0.00 H +ATOM 34 HD22 LEU A 2 -6.539 7.048 -2.209 1.00 0.00 H +ATOM 35 HD23 LEU A 2 -5.828 8.260 -1.132 1.00 0.00 H +ATOM 36 N TYR A 3 -4.415 3.532 0.107 1.00 0.00 N +ATOM 37 CA TYR A 3 -3.672 2.802 1.139 1.00 0.00 C +ATOM 38 C TYR A 3 -4.041 1.307 1.188 1.00 0.00 C +ATOM 39 O TYR A 3 -3.171 0.461 1.386 1.00 0.00 O +ATOM 40 CB TYR A 3 -3.879 3.480 2.497 1.00 0.00 C +ATOM 41 CG TYR A 3 -2.767 3.185 3.485 1.00 0.00 C +ATOM 42 CD1 TYR A 3 -2.814 2.034 4.294 1.00 0.00 C +ATOM 43 CD2 TYR A 3 -1.673 4.066 3.584 1.00 0.00 C +ATOM 44 CE1 TYR A 3 -1.769 1.770 5.202 1.00 0.00 C +ATOM 45 CE2 TYR A 3 -0.633 3.814 4.497 1.00 0.00 C +ATOM 46 CZ TYR A 3 -0.678 2.659 5.305 1.00 0.00 C +ATOM 47 OH TYR A 3 0.328 2.397 6.181 1.00 0.00 O +ATOM 48 H TYR A 3 -5.030 4.292 0.388 1.00 0.00 H +ATOM 49 HA TYR A 3 -2.611 2.866 0.893 1.00 0.00 H +ATOM 50 HB2 TYR A 3 -3.928 4.541 2.345 1.00 0.00 H +ATOM 51 HB3 TYR A 3 -4.839 3.176 2.920 1.00 0.00 H +ATOM 52 HD1 TYR A 3 -3.646 1.348 4.217 1.00 0.00 H +ATOM 53 HD2 TYR A 3 -1.623 4.947 2.966 1.00 0.00 H +ATOM 54 HE1 TYR A 3 -1.786 0.898 5.835 1.00 0.00 H +ATOM 55 HE2 TYR A 3 0.183 4.517 4.582 1.00 0.00 H +ATOM 56 HH TYR A 3 1.000 3.080 6.149 1.00 0.00 H +ATOM 57 N ILE A 4 -5.317 0.964 0.945 1.00 0.00 N +ATOM 58 CA ILE A 4 -5.797 -0.427 0.890 1.00 0.00 C +ATOM 59 C ILE A 4 -5.106 -1.182 -0.260 1.00 0.00 C +ATOM 60 O ILE A 4 -4.649 -2.312 -0.079 1.00 0.00 O +ATOM 61 CB ILE A 4 -7.343 -0.481 0.776 1.00 0.00 C +ATOM 62 CG1 ILE A 4 -8.026 0.176 2.003 1.00 0.00 C +ATOM 63 CG2 ILE A 4 -7.809 -1.944 0.634 1.00 0.00 C +ATOM 64 CD1 ILE A 4 -9.518 0.486 1.806 1.00 0.00 C +ATOM 65 H ILE A 4 -5.958 1.710 0.720 1.00 0.00 H +ATOM 66 HA ILE A 4 -5.510 -0.925 1.817 1.00 0.00 H +ATOM 67 HB ILE A 4 -7.647 0.059 -0.122 1.00 0.00 H +ATOM 68 HG12 ILE A 4 -7.929 -0.490 2.838 1.00 0.00 H +ATOM 69 HG13 ILE A 4 -7.538 1.122 2.236 1.00 0.00 H +ATOM 70 HG21 ILE A 4 -7.478 -2.358 -0.319 1.00 0.00 H +ATOM 71 HG22 ILE A 4 -7.398 -2.547 1.445 1.00 0.00 H +ATOM 72 HG23 ILE A 4 -8.894 -2.016 0.659 1.00 0.00 H +ATOM 73 HD11 ILE A 4 -9.642 1.219 1.013 1.00 0.00 H +ATOM 74 HD12 ILE A 4 -10.080 -0.412 1.556 1.00 0.00 H +ATOM 75 HD13 ILE A 4 -9.924 0.899 2.728 1.00 0.00 H +ATOM 76 N GLN A 5 -4.987 -0.542 -1.429 1.00 0.00 N +ATOM 77 CA GLN A 5 -4.265 -1.071 -2.589 1.00 0.00 C +ATOM 78 C GLN A 5 -2.780 -1.329 -2.278 1.00 0.00 C +ATOM 79 O GLN A 5 -2.258 -2.372 -2.663 1.00 0.00 O +ATOM 80 CB GLN A 5 -4.444 -0.110 -3.783 1.00 0.00 C +ATOM 81 CG GLN A 5 -5.274 -0.705 -4.937 1.00 0.00 C +ATOM 82 CD GLN A 5 -4.406 -1.168 -6.106 1.00 0.00 C +ATOM 83 OE1 GLN A 5 -3.743 -0.382 -6.761 1.00 0.00 O +ATOM 84 NE2 GLN A 5 -4.396 -2.444 -6.437 1.00 0.00 N +ATOM 85 H GLN A 5 -5.362 0.397 -1.487 1.00 0.00 H +ATOM 86 HA GLN A 5 -4.696 -2.043 -2.836 1.00 0.00 H +ATOM 87 HB2 GLN A 5 -4.937 0.777 -3.433 1.00 0.00 H +ATOM 88 HB3 GLN A 5 -3.468 0.199 -4.159 1.00 0.00 H +ATOM 89 HG2 GLN A 5 -5.827 -1.546 -4.565 1.00 0.00 H +ATOM 90 HG3 GLN A 5 -5.939 0.070 -5.317 1.00 0.00 H +ATOM 91 HE21 GLN A 5 -4.933 -3.137 -5.951 1.00 0.00 H +ATOM 92 HE22 GLN A 5 -3.802 -2.637 -7.226 1.00 0.00 H +ATOM 93 N TRP A 6 -2.110 -0.425 -1.550 1.00 0.00 N +ATOM 94 CA TRP A 6 -0.735 -0.642 -1.083 1.00 0.00 C +ATOM 95 C TRP A 6 -0.618 -1.798 -0.074 1.00 0.00 C +ATOM 96 O TRP A 6 0.284 -2.632 -0.196 1.00 0.00 O +ATOM 97 CB TRP A 6 -0.178 0.660 -0.502 1.00 0.00 C +ATOM 98 CG TRP A 6 1.220 0.560 0.030 1.00 0.00 C +ATOM 99 CD1 TRP A 6 2.344 0.499 -0.720 1.00 0.00 C +ATOM 100 CD2 TRP A 6 1.660 0.470 1.420 1.00 0.00 C +ATOM 101 NE1 TRP A 6 3.446 0.394 0.108 1.00 0.00 N +ATOM 102 CE2 TRP A 6 3.084 0.389 1.433 1.00 0.00 C +ATOM 103 CE3 TRP A 6 1.008 0.446 2.674 1.00 0.00 C +ATOM 104 CZ2 TRP A 6 3.829 0.330 2.618 1.00 0.00 C +ATOM 105 CZ3 TRP A 6 1.746 0.354 3.871 1.00 0.00 C +ATOM 106 CH2 TRP A 6 3.152 0.312 3.847 1.00 0.00 C +ATOM 107 H TRP A 6 -2.590 0.437 -1.304 1.00 0.00 H +ATOM 108 HA TRP A 6 -0.120 -0.916 -1.942 1.00 0.00 H +ATOM 109 HB2 TRP A 6 -0.189 1.403 -1.276 1.00 0.00 H +ATOM 110 HB3 TRP A 6 -0.826 1.000 0.307 1.00 0.00 H +ATOM 111 HD1 TRP A 6 2.370 0.522 -1.801 1.00 0.00 H +ATOM 112 HE1 TRP A 6 4.422 0.342 -0.195 1.00 0.00 H +ATOM 113 HE3 TRP A 6 -0.071 0.498 2.709 1.00 0.00 H +ATOM 114 HZ2 TRP A 6 4.908 0.276 2.569 1.00 0.00 H +ATOM 115 HZ3 TRP A 6 1.228 0.327 4.819 1.00 0.00 H +ATOM 116 HH2 TRP A 6 3.709 0.259 4.771 1.00 0.00 H +ATOM 117 N LEU A 7 -1.541 -1.889 0.896 1.00 0.00 N +ATOM 118 CA LEU A 7 -1.582 -3.011 1.838 1.00 0.00 C +ATOM 119 C LEU A 7 -1.783 -4.360 1.136 1.00 0.00 C +ATOM 120 O LEU A 7 -1.117 -5.321 1.517 1.00 0.00 O +ATOM 121 CB LEU A 7 -2.666 -2.803 2.908 1.00 0.00 C +ATOM 122 CG LEU A 7 -2.354 -1.713 3.950 1.00 0.00 C +ATOM 123 CD1 LEU A 7 -3.542 -1.608 4.912 1.00 0.00 C +ATOM 124 CD2 LEU A 7 -1.090 -2.018 4.764 1.00 0.00 C +ATOM 125 H LEU A 7 -2.233 -1.146 0.975 1.00 0.00 H +ATOM 126 HA LEU A 7 -0.612 -3.079 2.329 1.00 0.00 H +ATOM 127 HB2 LEU A 7 -3.578 -2.536 2.410 1.00 0.00 H +ATOM 128 HB3 LEU A 7 -2.803 -3.746 3.442 1.00 0.00 H +ATOM 129 HG LEU A 7 -2.222 -0.755 3.451 1.00 0.00 H +ATOM 130 HD11 LEU A 7 -4.453 -1.399 4.353 1.00 0.00 H +ATOM 131 HD12 LEU A 7 -3.663 -2.544 5.458 1.00 0.00 H +ATOM 132 HD13 LEU A 7 -3.376 -0.804 5.626 1.00 0.00 H +ATOM 133 HD21 LEU A 7 -1.148 -3.021 5.187 1.00 0.00 H +ATOM 134 HD22 LEU A 7 -0.210 -1.944 4.128 1.00 0.00 H +ATOM 135 HD23 LEU A 7 -0.982 -1.297 5.571 1.00 0.00 H +ATOM 136 N LYS A 8 -2.633 -4.432 0.094 1.00 0.00 N +ATOM 137 CA LYS A 8 -2.884 -5.655 -0.692 1.00 0.00 C +ATOM 138 C LYS A 8 -1.596 -6.330 -1.179 1.00 0.00 C +ATOM 139 O LYS A 8 -1.525 -7.556 -1.201 1.00 0.00 O +ATOM 140 CB LYS A 8 -3.808 -5.329 -1.882 1.00 0.00 C +ATOM 141 CG LYS A 8 -4.241 -6.587 -2.655 1.00 0.00 C +ATOM 142 CD LYS A 8 -5.060 -6.237 -3.903 1.00 0.00 C +ATOM 143 CE LYS A 8 -5.306 -7.504 -4.738 1.00 0.00 C +ATOM 144 NZ LYS A 8 -4.559 -7.485 -6.019 1.00 0.00 N +ATOM 145 H LYS A 8 -3.173 -3.595 -0.117 1.00 0.00 H +ATOM 146 HA LYS A 8 -3.386 -6.377 -0.047 1.00 0.00 H +ATOM 147 HB2 LYS A 8 -4.685 -4.834 -1.511 1.00 0.00 H +ATOM 148 HB3 LYS A 8 -3.277 -4.670 -2.567 1.00 0.00 H +ATOM 149 HG2 LYS A 8 -3.365 -7.128 -2.956 1.00 0.00 H +ATOM 150 HG3 LYS A 8 -4.835 -7.226 -2.000 1.00 0.00 H +ATOM 151 HD2 LYS A 8 -6.002 -5.819 -3.605 1.00 0.00 H +ATOM 152 HD3 LYS A 8 -4.524 -5.490 -4.491 1.00 0.00 H +ATOM 153 HE2 LYS A 8 -4.994 -8.359 -4.169 1.00 0.00 H +ATOM 154 HE3 LYS A 8 -6.379 -7.594 -4.932 1.00 0.00 H +ATOM 155 HZ1 LYS A 8 -4.868 -6.712 -6.594 1.00 0.00 H +ATOM 156 HZ2 LYS A 8 -3.566 -7.387 -5.848 1.00 0.00 H +ATOM 157 HZ3 LYS A 8 -4.715 -8.344 -6.529 1.00 0.00 H +ATOM 158 N ASP A 9 -0.590 -5.540 -1.563 1.00 0.00 N +ATOM 159 CA ASP A 9 0.696 -6.034 -2.059 1.00 0.00 C +ATOM 160 C ASP A 9 1.604 -6.602 -0.943 1.00 0.00 C +ATOM 161 O ASP A 9 2.534 -7.350 -1.236 1.00 0.00 O +ATOM 162 CB ASP A 9 1.377 -4.885 -2.828 1.00 0.00 C +ATOM 163 CG ASP A 9 2.180 -5.390 -4.029 1.00 0.00 C +ATOM 164 OD1 ASP A 9 1.517 -5.724 -5.041 1.00 0.00 O +ATOM 165 OD2 ASP A 9 3.423 -5.398 -3.944 1.00 0.00 O +ATOM 166 H ASP A 9 -0.734 -4.540 -1.523 1.00 0.00 H +ATOM 167 HA ASP A 9 0.502 -6.844 -2.765 1.00 0.00 H +ATOM 168 HB2 ASP A 9 0.622 -4.207 -3.177 1.00 0.00 H +ATOM 169 HB3 ASP A 9 2.011 -4.308 -2.158 1.00 0.00 H +ATOM 170 N GLY A 10 1.315 -6.291 0.335 1.00 0.00 N +ATOM 171 CA GLY A 10 2.125 -6.667 1.501 1.00 0.00 C +ATOM 172 C GLY A 10 2.634 -5.488 2.350 1.00 0.00 C +ATOM 173 O GLY A 10 3.490 -5.686 3.216 1.00 0.00 O +ATOM 174 H GLY A 10 0.438 -5.808 0.503 1.00 0.00 H +ATOM 175 HA2 GLY A 10 1.519 -7.303 2.147 1.00 0.00 H +ATOM 176 HA3 GLY A 10 2.993 -7.245 1.182 1.00 0.00 H +ATOM 177 N GLY A 11 2.132 -4.266 2.113 1.00 0.00 N +ATOM 178 CA GLY A 11 2.535 -3.041 2.809 1.00 0.00 C +ATOM 179 C GLY A 11 4.061 -2.833 2.842 1.00 0.00 C +ATOM 180 O GLY A 11 4.676 -2.729 1.777 1.00 0.00 O +ATOM 181 H GLY A 11 1.459 -4.179 1.364 1.00 0.00 H +ATOM 182 HA2 GLY A 11 2.091 -2.192 2.292 1.00 0.00 H +ATOM 183 HA3 GLY A 11 2.124 -3.070 3.815 1.00 0.00 H +ATOM 184 N PRO A 12 4.716 -2.764 4.022 1.00 0.00 N +ATOM 185 CA PRO A 12 6.173 -2.628 4.110 1.00 0.00 C +ATOM 186 C PRO A 12 6.953 -3.752 3.413 1.00 0.00 C +ATOM 187 O PRO A 12 8.085 -3.532 2.985 1.00 0.00 O +ATOM 188 CB PRO A 12 6.510 -2.614 5.607 1.00 0.00 C +ATOM 189 CG PRO A 12 5.200 -2.211 6.279 1.00 0.00 C +ATOM 190 CD PRO A 12 4.136 -2.801 5.356 1.00 0.00 C +ATOM 191 HA PRO A 12 6.463 -1.674 3.669 1.00 0.00 H +ATOM 192 HB2 PRO A 12 6.824 -3.586 5.936 1.00 0.00 H +ATOM 193 HB3 PRO A 12 7.309 -1.906 5.829 1.00 0.00 H +ATOM 194 HG2 PRO A 12 5.129 -2.629 7.265 1.00 0.00 H +ATOM 195 HG3 PRO A 12 5.116 -1.124 6.289 1.00 0.00 H +ATOM 196 HD2 PRO A 12 3.912 -3.811 5.640 1.00 0.00 H +ATOM 197 HD3 PRO A 12 3.224 -2.208 5.422 1.00 0.00 H +ATOM 198 N SER A 13 6.364 -4.949 3.290 1.00 0.00 N +ATOM 199 CA SER A 13 7.032 -6.120 2.719 1.00 0.00 C +ATOM 200 C SER A 13 7.005 -6.154 1.183 1.00 0.00 C +ATOM 201 O SER A 13 7.560 -7.084 0.599 1.00 0.00 O +ATOM 202 CB SER A 13 6.426 -7.399 3.310 1.00 0.00 C +ATOM 203 OG SER A 13 7.402 -8.420 3.301 1.00 0.00 O +ATOM 204 H SER A 13 5.392 -5.053 3.575 1.00 0.00 H +ATOM 205 HA SER A 13 8.080 -6.085 3.021 1.00 0.00 H +ATOM 206 HB2 SER A 13 6.109 -7.214 4.318 1.00 0.00 H +ATOM 207 HB3 SER A 13 5.557 -7.710 2.730 1.00 0.00 H +ATOM 208 HG SER A 13 7.730 -8.506 2.397 1.00 0.00 H +ATOM 209 N SER A 14 6.381 -5.157 0.538 1.00 0.00 N +ATOM 210 CA SER A 14 6.165 -5.055 -0.915 1.00 0.00 C +ATOM 211 C SER A 14 7.342 -4.457 -1.697 1.00 0.00 C +ATOM 212 O SER A 14 7.309 -4.428 -2.924 1.00 0.00 O +ATOM 213 CB SER A 14 4.964 -4.138 -1.174 1.00 0.00 C +ATOM 214 OG SER A 14 3.864 -4.511 -0.377 1.00 0.00 O +ATOM 215 H SER A 14 5.881 -4.475 1.098 1.00 0.00 H +ATOM 216 HA SER A 14 5.937 -6.042 -1.321 1.00 0.00 H +ATOM 217 HB2 SER A 14 5.238 -3.127 -0.943 1.00 0.00 H +ATOM 218 HB3 SER A 14 4.688 -4.185 -2.225 1.00 0.00 H +ATOM 219 HG SER A 14 3.188 -3.835 -0.468 1.00 0.00 H +ATOM 220 N GLY A 15 8.357 -3.909 -1.017 1.00 0.00 N +ATOM 221 CA GLY A 15 9.474 -3.213 -1.669 1.00 0.00 C +ATOM 222 C GLY A 15 9.156 -1.791 -2.160 1.00 0.00 C +ATOM 223 O GLY A 15 9.942 -1.231 -2.920 1.00 0.00 O +ATOM 224 H GLY A 15 8.341 -3.994 -0.010 1.00 0.00 H +ATOM 225 HA2 GLY A 15 10.311 -3.152 -0.976 1.00 0.00 H +ATOM 226 HA3 GLY A 15 9.800 -3.797 -2.532 1.00 0.00 H +ATOM 227 N ARG A 16 8.024 -1.197 -1.741 1.00 0.00 N +ATOM 228 CA ARG A 16 7.568 0.140 -2.156 1.00 0.00 C +ATOM 229 C ARG A 16 7.012 0.930 -0.956 1.00 0.00 C +ATOM 230 O ARG A 16 6.231 0.354 -0.196 1.00 0.00 O +ATOM 231 CB ARG A 16 6.504 -0.029 -3.256 1.00 0.00 C +ATOM 232 CG ARG A 16 6.136 1.305 -3.920 1.00 0.00 C +ATOM 233 CD ARG A 16 5.111 1.119 -5.043 1.00 0.00 C +ATOM 234 NE ARG A 16 4.902 2.373 -5.790 1.00 0.00 N +ATOM 235 CZ ARG A 16 4.118 3.394 -5.467 1.00 0.00 C +ATOM 236 NH1 ARG A 16 3.401 3.409 -4.368 1.00 0.00 N +ATOM 237 NH2 ARG A 16 4.046 4.440 -6.259 1.00 0.00 N +ATOM 238 H ARG A 16 7.441 -1.716 -1.100 1.00 0.00 H +ATOM 239 HA ARG A 16 8.423 0.671 -2.576 1.00 0.00 H +ATOM 240 HB2 ARG A 16 6.886 -0.694 -4.006 1.00 0.00 H +ATOM 241 HB3 ARG A 16 5.608 -0.485 -2.831 1.00 0.00 H +ATOM 242 HG2 ARG A 16 5.722 1.960 -3.177 1.00 0.00 H +ATOM 243 HG3 ARG A 16 7.039 1.747 -4.344 1.00 0.00 H +ATOM 244 HD2 ARG A 16 5.466 0.364 -5.719 1.00 0.00 H +ATOM 245 HD3 ARG A 16 4.167 0.759 -4.628 1.00 0.00 H +ATOM 246 HE ARG A 16 5.422 2.462 -6.647 1.00 0.00 H +ATOM 247 HH11 ARG A 16 3.504 2.647 -3.718 1.00 0.00 H +ATOM 248 HH12 ARG A 16 2.814 4.189 -4.136 1.00 0.00 H +ATOM 249 HH21 ARG A 16 4.589 4.478 -7.103 1.00 0.00 H +ATOM 250 HH22 ARG A 16 3.453 5.213 -6.014 1.00 0.00 H +ATOM 251 N PRO A 17 7.341 2.229 -0.790 1.00 0.00 N +ATOM 252 CA PRO A 17 6.828 3.050 0.313 1.00 0.00 C +ATOM 253 C PRO A 17 5.302 3.268 0.240 1.00 0.00 C +ATOM 254 O PRO A 17 4.711 3.118 -0.837 1.00 0.00 O +ATOM 255 CB PRO A 17 7.588 4.382 0.217 1.00 0.00 C +ATOM 256 CG PRO A 17 7.955 4.479 -1.259 1.00 0.00 C +ATOM 257 CD PRO A 17 8.236 3.024 -1.624 1.00 0.00 C +ATOM 258 HA PRO A 17 7.073 2.564 1.257 1.00 0.00 H +ATOM 259 HB2 PRO A 17 6.962 5.202 0.511 1.00 0.00 H +ATOM 260 HB3 PRO A 17 8.498 4.326 0.815 1.00 0.00 H +ATOM 261 HG2 PRO A 17 7.141 4.874 -1.836 1.00 0.00 H +ATOM 262 HG3 PRO A 17 8.825 5.116 -1.425 1.00 0.00 H +ATOM 263 HD2 PRO A 17 8.031 2.852 -2.663 1.00 0.00 H +ATOM 264 HD3 PRO A 17 9.270 2.778 -1.381 1.00 0.00 H +ATOM 265 N PRO A 18 4.658 3.643 1.366 1.00 0.00 N +ATOM 266 CA PRO A 18 3.221 3.898 1.414 1.00 0.00 C +ATOM 267 C PRO A 18 2.834 5.170 0.637 1.00 0.00 C +ATOM 268 O PRO A 18 3.623 6.115 0.574 1.00 0.00 O +ATOM 269 CB PRO A 18 2.872 4.023 2.901 1.00 0.00 C +ATOM 270 CG PRO A 18 4.173 4.506 3.536 1.00 0.00 C +ATOM 271 CD PRO A 18 5.248 3.833 2.686 1.00 0.00 C +ATOM 272 HA PRO A 18 2.702 3.039 0.999 1.00 0.00 H +ATOM 273 HB2 PRO A 18 2.085 4.736 3.051 1.00 0.00 H +ATOM 274 HB3 PRO A 18 2.619 3.041 3.300 1.00 0.00 H +ATOM 275 HG2 PRO A 18 4.254 5.575 3.483 1.00 0.00 H +ATOM 276 HG3 PRO A 18 4.246 4.214 4.585 1.00 0.00 H +ATOM 277 HD2 PRO A 18 6.117 4.459 2.619 1.00 0.00 H +ATOM 278 HD3 PRO A 18 5.501 2.862 3.113 1.00 0.00 H +ATOM 279 N PRO A 19 1.620 5.223 0.057 1.00 0.00 N +ATOM 280 CA PRO A 19 1.139 6.367 -0.722 1.00 0.00 C +ATOM 281 C PRO A 19 0.477 7.473 0.123 1.00 0.00 C +ATOM 282 O PRO A 19 0.201 8.545 -0.412 1.00 0.00 O +ATOM 283 CB PRO A 19 0.125 5.747 -1.684 1.00 0.00 C +ATOM 284 CG PRO A 19 -0.519 4.650 -0.831 1.00 0.00 C +ATOM 285 CD PRO A 19 0.673 4.117 -0.040 1.00 0.00 C +ATOM 286 HA PRO A 19 1.956 6.812 -1.290 1.00 0.00 H +ATOM 287 HB2 PRO A 19 -0.603 6.470 -1.999 1.00 0.00 H +ATOM 288 HB3 PRO A 19 0.651 5.295 -2.525 1.00 0.00 H +ATOM 289 HG2 PRO A 19 -1.270 5.054 -0.179 1.00 0.00 H +ATOM 290 HG3 PRO A 19 -0.979 3.875 -1.444 1.00 0.00 H +ATOM 291 HD2 PRO A 19 0.362 3.806 0.939 1.00 0.00 H +ATOM 292 HD3 PRO A 19 1.138 3.304 -0.597 1.00 0.00 H +ATOM 293 N SER A 20 0.213 7.210 1.410 1.00 0.00 N +ATOM 294 CA SER A 20 -0.379 8.118 2.401 1.00 0.00 C +ATOM 295 C SER A 20 0.477 8.085 3.667 1.00 0.00 C +ATOM 296 O SER A 20 0.871 9.175 4.129 1.00 0.00 O +ATOM 297 CB SER A 20 -1.821 7.700 2.717 1.00 0.00 C +ATOM 298 OG SER A 20 -2.657 8.835 2.780 1.00 0.00 O +ATOM 299 OXT SER A 20 0.731 6.946 4.124 1.00 0.00 O +ATOM 300 H SER A 20 0.539 6.334 1.792 1.00 0.00 H +ATOM 301 HA SER A 20 -0.376 9.140 2.021 1.00 0.00 H +ATOM 302 HB2 SER A 20 -2.175 7.041 1.948 1.00 0.00 H +ATOM 303 HB3 SER A 20 -1.844 7.173 3.675 1.00 0.00 H +ATOM 304 HG SER A 20 -3.473 8.604 3.228 1.00 0.00 H +TER 305 SER A 20 +ENDMDL +MODEL 34 +ATOM 1 N ASN A 1 -5.799 7.830 -0.622 1.00 0.00 N +ATOM 2 CA ASN A 1 -6.880 6.904 -1.045 1.00 0.00 C +ATOM 3 C ASN A 1 -6.385 5.527 -1.533 1.00 0.00 C +ATOM 4 O ASN A 1 -7.195 4.623 -1.680 1.00 0.00 O +ATOM 5 CB ASN A 1 -7.825 7.579 -2.066 1.00 0.00 C +ATOM 6 CG ASN A 1 -9.296 7.287 -1.763 1.00 0.00 C +ATOM 7 OD1 ASN A 1 -9.622 6.455 -0.932 1.00 0.00 O +ATOM 8 ND2 ASN A 1 -10.226 7.998 -2.373 1.00 0.00 N +ATOM 9 H1 ASN A 1 -5.221 7.401 0.088 1.00 0.00 H +ATOM 10 H2 ASN A 1 -5.228 8.093 -1.416 1.00 0.00 H +ATOM 11 H3 ASN A 1 -6.207 8.670 -0.235 1.00 0.00 H +ATOM 12 HA ASN A 1 -7.484 6.690 -0.160 1.00 0.00 H +ATOM 13 HB2 ASN A 1 -7.668 8.640 -2.035 1.00 0.00 H +ATOM 14 HB3 ASN A 1 -7.593 7.245 -3.078 1.00 0.00 H +ATOM 15 HD21 ASN A 1 -10.030 8.724 -3.044 1.00 0.00 H +ATOM 16 HD22 ASN A 1 -11.167 7.758 -2.108 1.00 0.00 H +ATOM 17 N LEU A 2 -5.074 5.320 -1.762 1.00 0.00 N +ATOM 18 CA LEU A 2 -4.517 4.062 -2.295 1.00 0.00 C +ATOM 19 C LEU A 2 -3.967 3.102 -1.219 1.00 0.00 C +ATOM 20 O LEU A 2 -3.428 2.045 -1.548 1.00 0.00 O +ATOM 21 CB LEU A 2 -3.448 4.425 -3.346 1.00 0.00 C +ATOM 22 CG LEU A 2 -4.051 4.779 -4.719 1.00 0.00 C +ATOM 23 CD1 LEU A 2 -3.023 5.544 -5.556 1.00 0.00 C +ATOM 24 CD2 LEU A 2 -4.473 3.517 -5.479 1.00 0.00 C +ATOM 25 H LEU A 2 -4.397 6.057 -1.657 1.00 0.00 H +ATOM 26 HA LEU A 2 -5.309 3.505 -2.795 1.00 0.00 H +ATOM 27 HB2 LEU A 2 -2.890 5.269 -2.989 1.00 0.00 H +ATOM 28 HB3 LEU A 2 -2.757 3.592 -3.484 1.00 0.00 H +ATOM 29 HG LEU A 2 -4.923 5.421 -4.583 1.00 0.00 H +ATOM 30 HD11 LEU A 2 -2.817 6.509 -5.095 1.00 0.00 H +ATOM 31 HD12 LEU A 2 -2.096 4.973 -5.628 1.00 0.00 H +ATOM 32 HD13 LEU A 2 -3.417 5.717 -6.558 1.00 0.00 H +ATOM 33 HD21 LEU A 2 -3.615 2.859 -5.616 1.00 0.00 H +ATOM 34 HD22 LEU A 2 -5.251 2.986 -4.932 1.00 0.00 H +ATOM 35 HD23 LEU A 2 -4.869 3.792 -6.456 1.00 0.00 H +ATOM 36 N TYR A 3 -4.114 3.440 0.068 1.00 0.00 N +ATOM 37 CA TYR A 3 -3.557 2.674 1.187 1.00 0.00 C +ATOM 38 C TYR A 3 -4.050 1.217 1.220 1.00 0.00 C +ATOM 39 O TYR A 3 -3.279 0.313 1.534 1.00 0.00 O +ATOM 40 CB TYR A 3 -3.871 3.401 2.505 1.00 0.00 C +ATOM 41 CG TYR A 3 -2.796 3.226 3.558 1.00 0.00 C +ATOM 42 CD1 TYR A 3 -2.742 2.051 4.335 1.00 0.00 C +ATOM 43 CD2 TYR A 3 -1.836 4.240 3.749 1.00 0.00 C +ATOM 44 CE1 TYR A 3 -1.743 1.897 5.317 1.00 0.00 C +ATOM 45 CE2 TYR A 3 -0.837 4.088 4.726 1.00 0.00 C +ATOM 46 CZ TYR A 3 -0.793 2.923 5.516 1.00 0.00 C +ATOM 47 OH TYR A 3 0.148 2.813 6.496 1.00 0.00 O +ATOM 48 H TYR A 3 -4.583 4.306 0.272 1.00 0.00 H +ATOM 49 HA TYR A 3 -2.473 2.651 1.067 1.00 0.00 H +ATOM 50 HB2 TYR A 3 -3.978 4.449 2.299 1.00 0.00 H +ATOM 51 HB3 TYR A 3 -4.828 3.055 2.899 1.00 0.00 H +ATOM 52 HD1 TYR A 3 -3.469 1.267 4.176 1.00 0.00 H +ATOM 53 HD2 TYR A 3 -1.865 5.144 3.155 1.00 0.00 H +ATOM 54 HE1 TYR A 3 -1.699 0.996 5.909 1.00 0.00 H +ATOM 55 HE2 TYR A 3 -0.106 4.866 4.894 1.00 0.00 H +ATOM 56 HH TYR A 3 -0.189 2.359 7.268 1.00 0.00 H +ATOM 57 N ILE A 4 -5.316 0.983 0.838 1.00 0.00 N +ATOM 58 CA ILE A 4 -5.917 -0.354 0.736 1.00 0.00 C +ATOM 59 C ILE A 4 -5.164 -1.204 -0.302 1.00 0.00 C +ATOM 60 O ILE A 4 -4.740 -2.313 0.009 1.00 0.00 O +ATOM 61 CB ILE A 4 -7.431 -0.260 0.419 1.00 0.00 C +ATOM 62 CG1 ILE A 4 -8.188 0.682 1.392 1.00 0.00 C +ATOM 63 CG2 ILE A 4 -8.073 -1.658 0.464 1.00 0.00 C +ATOM 64 CD1 ILE A 4 -8.662 1.967 0.703 1.00 0.00 C +ATOM 65 H ILE A 4 -5.883 1.784 0.606 1.00 0.00 H +ATOM 66 HA ILE A 4 -5.806 -0.849 1.701 1.00 0.00 H +ATOM 67 HB ILE A 4 -7.550 0.118 -0.599 1.00 0.00 H +ATOM 68 HG12 ILE A 4 -9.043 0.163 1.781 1.00 0.00 H +ATOM 69 HG13 ILE A 4 -7.554 0.946 2.240 1.00 0.00 H +ATOM 70 HG21 ILE A 4 -7.627 -2.311 -0.285 1.00 0.00 H +ATOM 71 HG22 ILE A 4 -7.939 -2.102 1.451 1.00 0.00 H +ATOM 72 HG23 ILE A 4 -9.141 -1.582 0.251 1.00 0.00 H +ATOM 73 HD11 ILE A 4 -7.826 2.470 0.218 1.00 0.00 H +ATOM 74 HD12 ILE A 4 -9.419 1.723 -0.045 1.00 0.00 H +ATOM 75 HD13 ILE A 4 -9.102 2.636 1.442 1.00 0.00 H +ATOM 76 N GLN A 5 -4.951 -0.669 -1.512 1.00 0.00 N +ATOM 77 CA GLN A 5 -4.159 -1.301 -2.575 1.00 0.00 C +ATOM 78 C GLN A 5 -2.710 -1.563 -2.137 1.00 0.00 C +ATOM 79 O GLN A 5 -2.195 -2.659 -2.357 1.00 0.00 O +ATOM 80 CB GLN A 5 -4.205 -0.425 -3.844 1.00 0.00 C +ATOM 81 CG GLN A 5 -5.431 -0.707 -4.723 1.00 0.00 C +ATOM 82 CD GLN A 5 -5.229 -1.914 -5.660 1.00 0.00 C +ATOM 83 OE1 GLN A 5 -4.748 -2.967 -5.270 1.00 0.00 O +ATOM 84 NE2 GLN A 5 -5.591 -1.783 -6.912 1.00 0.00 N +ATOM 85 H GLN A 5 -5.269 0.277 -1.662 1.00 0.00 H +ATOM 86 HA GLN A 5 -4.597 -2.273 -2.805 1.00 0.00 H +ATOM 87 HB2 GLN A 5 -4.227 0.606 -3.547 1.00 0.00 H +ATOM 88 HB3 GLN A 5 -3.305 -0.586 -4.439 1.00 0.00 H +ATOM 89 HG2 GLN A 5 -6.272 -0.904 -4.086 1.00 0.00 H +ATOM 90 HG3 GLN A 5 -5.620 0.176 -5.336 1.00 0.00 H +ATOM 91 HE21 GLN A 5 -6.009 -0.948 -7.281 1.00 0.00 H +ATOM 92 HE22 GLN A 5 -5.424 -2.601 -7.488 1.00 0.00 H +ATOM 93 N TRP A 6 -2.061 -0.590 -1.483 1.00 0.00 N +ATOM 94 CA TRP A 6 -0.707 -0.761 -0.942 1.00 0.00 C +ATOM 95 C TRP A 6 -0.625 -1.886 0.103 1.00 0.00 C +ATOM 96 O TRP A 6 0.254 -2.748 0.014 1.00 0.00 O +ATOM 97 CB TRP A 6 -0.203 0.570 -0.378 1.00 0.00 C +ATOM 98 CG TRP A 6 1.188 0.516 0.176 1.00 0.00 C +ATOM 99 CD1 TRP A 6 2.328 0.543 -0.554 1.00 0.00 C +ATOM 100 CD2 TRP A 6 1.611 0.411 1.571 1.00 0.00 C +ATOM 101 NE1 TRP A 6 3.420 0.431 0.286 1.00 0.00 N +ATOM 102 CE2 TRP A 6 3.036 0.358 1.604 1.00 0.00 C +ATOM 103 CE3 TRP A 6 0.941 0.370 2.813 1.00 0.00 C +ATOM 104 CZ2 TRP A 6 3.764 0.276 2.797 1.00 0.00 C +ATOM 105 CZ3 TRP A 6 1.660 0.285 4.021 1.00 0.00 C +ATOM 106 CH2 TRP A 6 3.067 0.241 4.016 1.00 0.00 C +ATOM 107 H TRP A 6 -2.536 0.304 -1.365 1.00 0.00 H +ATOM 108 HA TRP A 6 -0.047 -1.048 -1.761 1.00 0.00 H +ATOM 109 HB2 TRP A 6 -0.223 1.298 -1.166 1.00 0.00 H +ATOM 110 HB3 TRP A 6 -0.876 0.904 0.412 1.00 0.00 H +ATOM 111 HD1 TRP A 6 2.371 0.637 -1.631 1.00 0.00 H +ATOM 112 HE1 TRP A 6 4.399 0.438 -0.005 1.00 0.00 H +ATOM 113 HE3 TRP A 6 -0.139 0.419 2.832 1.00 0.00 H +ATOM 114 HZ2 TRP A 6 4.843 0.240 2.765 1.00 0.00 H +ATOM 115 HZ3 TRP A 6 1.130 0.269 4.964 1.00 0.00 H +ATOM 116 HH2 TRP A 6 3.612 0.191 4.946 1.00 0.00 H +ATOM 117 N LEU A 7 -1.566 -1.931 1.058 1.00 0.00 N +ATOM 118 CA LEU A 7 -1.690 -3.054 1.991 1.00 0.00 C +ATOM 119 C LEU A 7 -1.955 -4.378 1.260 1.00 0.00 C +ATOM 120 O LEU A 7 -1.318 -5.376 1.595 1.00 0.00 O +ATOM 121 CB LEU A 7 -2.786 -2.777 3.037 1.00 0.00 C +ATOM 122 CG LEU A 7 -2.391 -1.764 4.129 1.00 0.00 C +ATOM 123 CD1 LEU A 7 -3.612 -1.492 5.013 1.00 0.00 C +ATOM 124 CD2 LEU A 7 -1.258 -2.274 5.027 1.00 0.00 C +ATOM 125 H LEU A 7 -2.249 -1.176 1.107 1.00 0.00 H +ATOM 126 HA LEU A 7 -0.737 -3.180 2.499 1.00 0.00 H +ATOM 127 HB2 LEU A 7 -3.649 -2.397 2.525 1.00 0.00 H +ATOM 128 HB3 LEU A 7 -3.042 -3.717 3.527 1.00 0.00 H +ATOM 129 HG LEU A 7 -2.078 -0.829 3.669 1.00 0.00 H +ATOM 130 HD11 LEU A 7 -4.419 -1.078 4.410 1.00 0.00 H +ATOM 131 HD12 LEU A 7 -3.953 -2.420 5.476 1.00 0.00 H +ATOM 132 HD13 LEU A 7 -3.357 -0.782 5.798 1.00 0.00 H +ATOM 133 HD21 LEU A 7 -1.530 -3.234 5.465 1.00 0.00 H +ATOM 134 HD22 LEU A 7 -0.339 -2.386 4.455 1.00 0.00 H +ATOM 135 HD23 LEU A 7 -1.069 -1.559 5.827 1.00 0.00 H +ATOM 136 N LYS A 8 -2.824 -4.393 0.234 1.00 0.00 N +ATOM 137 CA LYS A 8 -3.130 -5.587 -0.573 1.00 0.00 C +ATOM 138 C LYS A 8 -1.901 -6.192 -1.263 1.00 0.00 C +ATOM 139 O LYS A 8 -1.908 -7.378 -1.579 1.00 0.00 O +ATOM 140 CB LYS A 8 -4.203 -5.259 -1.628 1.00 0.00 C +ATOM 141 CG LYS A 8 -5.048 -6.490 -2.013 1.00 0.00 C +ATOM 142 CD LYS A 8 -5.129 -6.766 -3.523 1.00 0.00 C +ATOM 143 CE LYS A 8 -3.903 -7.532 -4.050 1.00 0.00 C +ATOM 144 NZ LYS A 8 -2.952 -6.665 -4.790 1.00 0.00 N +ATOM 145 H LYS A 8 -3.348 -3.538 0.053 1.00 0.00 H +ATOM 146 HA LYS A 8 -3.517 -6.346 0.108 1.00 0.00 H +ATOM 147 HB2 LYS A 8 -4.855 -4.504 -1.233 1.00 0.00 H +ATOM 148 HB3 LYS A 8 -3.725 -4.833 -2.511 1.00 0.00 H +ATOM 149 HG2 LYS A 8 -4.619 -7.352 -1.538 1.00 0.00 H +ATOM 150 HG3 LYS A 8 -6.060 -6.319 -1.647 1.00 0.00 H +ATOM 151 HD2 LYS A 8 -6.009 -7.348 -3.720 1.00 0.00 H +ATOM 152 HD3 LYS A 8 -5.287 -5.837 -4.075 1.00 0.00 H +ATOM 153 HE2 LYS A 8 -3.389 -7.970 -3.216 1.00 0.00 H +ATOM 154 HE3 LYS A 8 -4.260 -8.327 -4.710 1.00 0.00 H +ATOM 155 HZ1 LYS A 8 -3.417 -6.219 -5.569 1.00 0.00 H +ATOM 156 HZ2 LYS A 8 -2.573 -5.948 -4.185 1.00 0.00 H +ATOM 157 HZ3 LYS A 8 -2.177 -7.215 -5.141 1.00 0.00 H +ATOM 158 N ASP A 9 -0.868 -5.389 -1.528 1.00 0.00 N +ATOM 159 CA ASP A 9 0.415 -5.850 -2.062 1.00 0.00 C +ATOM 160 C ASP A 9 1.361 -6.433 -0.997 1.00 0.00 C +ATOM 161 O ASP A 9 2.393 -7.000 -1.356 1.00 0.00 O +ATOM 162 CB ASP A 9 1.128 -4.679 -2.755 1.00 0.00 C +ATOM 163 CG ASP A 9 1.821 -5.147 -4.033 1.00 0.00 C +ATOM 164 OD1 ASP A 9 1.092 -5.500 -4.985 1.00 0.00 O +ATOM 165 OD2 ASP A 9 3.071 -5.076 -4.089 1.00 0.00 O +ATOM 166 H ASP A 9 -0.983 -4.400 -1.335 1.00 0.00 H +ATOM 167 HA ASP A 9 0.222 -6.632 -2.802 1.00 0.00 H +ATOM 168 HB2 ASP A 9 0.407 -3.924 -3.002 1.00 0.00 H +ATOM 169 HB3 ASP A 9 1.858 -4.239 -2.072 1.00 0.00 H +ATOM 170 N GLY A 10 1.065 -6.245 0.295 1.00 0.00 N +ATOM 171 CA GLY A 10 1.887 -6.698 1.422 1.00 0.00 C +ATOM 172 C GLY A 10 2.425 -5.583 2.330 1.00 0.00 C +ATOM 173 O GLY A 10 3.181 -5.881 3.256 1.00 0.00 O +ATOM 174 H GLY A 10 0.187 -5.780 0.519 1.00 0.00 H +ATOM 175 HA2 GLY A 10 1.284 -7.365 2.037 1.00 0.00 H +ATOM 176 HA3 GLY A 10 2.742 -7.268 1.059 1.00 0.00 H +ATOM 177 N GLY A 11 2.061 -4.312 2.104 1.00 0.00 N +ATOM 178 CA GLY A 11 2.490 -3.202 2.957 1.00 0.00 C +ATOM 179 C GLY A 11 4.026 -3.036 2.995 1.00 0.00 C +ATOM 180 O GLY A 11 4.652 -3.007 1.932 1.00 0.00 O +ATOM 181 H GLY A 11 1.472 -4.098 1.305 1.00 0.00 H +ATOM 182 HA2 GLY A 11 2.054 -2.278 2.582 1.00 0.00 H +ATOM 183 HA3 GLY A 11 2.093 -3.382 3.955 1.00 0.00 H +ATOM 184 N PRO A 12 4.674 -2.922 4.179 1.00 0.00 N +ATOM 185 CA PRO A 12 6.124 -2.708 4.301 1.00 0.00 C +ATOM 186 C PRO A 12 7.022 -3.877 3.833 1.00 0.00 C +ATOM 187 O PRO A 12 8.218 -3.871 4.113 1.00 0.00 O +ATOM 188 CB PRO A 12 6.391 -2.376 5.780 1.00 0.00 C +ATOM 189 CG PRO A 12 5.023 -2.264 6.447 1.00 0.00 C +ATOM 190 CD PRO A 12 4.073 -2.998 5.504 1.00 0.00 C +ATOM 191 HA PRO A 12 6.387 -1.837 3.703 1.00 0.00 H +ATOM 192 HB2 PRO A 12 6.965 -3.158 6.239 1.00 0.00 H +ATOM 193 HB3 PRO A 12 6.935 -1.434 5.867 1.00 0.00 H +ATOM 194 HG2 PRO A 12 5.033 -2.731 7.413 1.00 0.00 H +ATOM 195 HG3 PRO A 12 4.734 -1.214 6.511 1.00 0.00 H +ATOM 196 HD2 PRO A 12 3.967 -4.022 5.806 1.00 0.00 H +ATOM 197 HD3 PRO A 12 3.094 -2.523 5.547 1.00 0.00 H +ATOM 198 N SER A 13 6.477 -4.893 3.152 1.00 0.00 N +ATOM 199 CA SER A 13 7.175 -6.119 2.726 1.00 0.00 C +ATOM 200 C SER A 13 7.263 -6.275 1.201 1.00 0.00 C +ATOM 201 O SER A 13 7.639 -7.338 0.711 1.00 0.00 O +ATOM 202 CB SER A 13 6.505 -7.331 3.383 1.00 0.00 C +ATOM 203 OG SER A 13 6.754 -7.284 4.773 1.00 0.00 O +ATOM 204 H SER A 13 5.498 -4.804 2.901 1.00 0.00 H +ATOM 205 HA SER A 13 8.208 -6.093 3.078 1.00 0.00 H +ATOM 206 HB2 SER A 13 5.448 -7.301 3.204 1.00 0.00 H +ATOM 207 HB3 SER A 13 6.916 -8.258 2.983 1.00 0.00 H +ATOM 208 HG SER A 13 6.699 -6.365 5.049 1.00 0.00 H +ATOM 209 N SER A 14 6.946 -5.213 0.448 1.00 0.00 N +ATOM 210 CA SER A 14 6.719 -5.256 -1.005 1.00 0.00 C +ATOM 211 C SER A 14 7.679 -4.357 -1.805 1.00 0.00 C +ATOM 212 O SER A 14 7.475 -4.156 -3.000 1.00 0.00 O +ATOM 213 CB SER A 14 5.251 -4.902 -1.299 1.00 0.00 C +ATOM 214 OG SER A 14 4.376 -5.610 -0.441 1.00 0.00 O +ATOM 215 H SER A 14 6.585 -4.411 0.948 1.00 0.00 H +ATOM 216 HA SER A 14 6.876 -6.275 -1.359 1.00 0.00 H +ATOM 217 HB2 SER A 14 5.108 -3.848 -1.154 1.00 0.00 H +ATOM 218 HB3 SER A 14 5.023 -5.134 -2.341 1.00 0.00 H +ATOM 219 HG SER A 14 3.677 -6.081 -0.956 1.00 0.00 H +ATOM 220 N GLY A 15 8.709 -3.785 -1.159 1.00 0.00 N +ATOM 221 CA GLY A 15 9.714 -2.925 -1.800 1.00 0.00 C +ATOM 222 C GLY A 15 9.190 -1.564 -2.282 1.00 0.00 C +ATOM 223 O GLY A 15 9.812 -0.954 -3.149 1.00 0.00 O +ATOM 224 H GLY A 15 8.834 -4.046 -0.191 1.00 0.00 H +ATOM 225 HA2 GLY A 15 10.523 -2.738 -1.093 1.00 0.00 H +ATOM 226 HA3 GLY A 15 10.138 -3.448 -2.658 1.00 0.00 H +ATOM 227 N ARG A 16 8.055 -1.092 -1.742 1.00 0.00 N +ATOM 228 CA ARG A 16 7.352 0.126 -2.173 1.00 0.00 C +ATOM 229 C ARG A 16 6.879 0.975 -0.975 1.00 0.00 C +ATOM 230 O ARG A 16 6.283 0.422 -0.047 1.00 0.00 O +ATOM 231 CB ARG A 16 6.179 -0.250 -3.105 1.00 0.00 C +ATOM 232 CG ARG A 16 5.216 -1.290 -2.506 1.00 0.00 C +ATOM 233 CD ARG A 16 3.913 -1.453 -3.294 1.00 0.00 C +ATOM 234 NE ARG A 16 3.979 -2.564 -4.251 1.00 0.00 N +ATOM 235 CZ ARG A 16 4.099 -2.562 -5.568 1.00 0.00 C +ATOM 236 NH1 ARG A 16 4.326 -1.471 -6.261 1.00 0.00 N +ATOM 237 NH2 ARG A 16 3.956 -3.703 -6.191 1.00 0.00 N +ATOM 238 H ARG A 16 7.635 -1.646 -1.010 1.00 0.00 H +ATOM 239 HA ARG A 16 8.053 0.718 -2.760 1.00 0.00 H +ATOM 240 HB2 ARG A 16 5.622 0.641 -3.323 1.00 0.00 H +ATOM 241 HB3 ARG A 16 6.585 -0.650 -4.035 1.00 0.00 H +ATOM 242 HG2 ARG A 16 5.716 -2.239 -2.480 1.00 0.00 H +ATOM 243 HG3 ARG A 16 4.938 -1.000 -1.497 1.00 0.00 H +ATOM 244 HD2 ARG A 16 3.113 -1.638 -2.604 1.00 0.00 H +ATOM 245 HD3 ARG A 16 3.642 -0.518 -3.782 1.00 0.00 H +ATOM 246 HE ARG A 16 3.778 -3.506 -3.901 1.00 0.00 H +ATOM 247 HH11 ARG A 16 4.431 -0.607 -5.761 1.00 0.00 H +ATOM 248 HH12 ARG A 16 4.393 -1.513 -7.260 1.00 0.00 H +ATOM 249 HH21 ARG A 16 3.656 -4.483 -5.580 1.00 0.00 H +ATOM 250 HH22 ARG A 16 3.997 -3.809 -7.186 1.00 0.00 H +ATOM 251 N PRO A 17 7.088 2.308 -0.976 1.00 0.00 N +ATOM 252 CA PRO A 17 6.623 3.182 0.103 1.00 0.00 C +ATOM 253 C PRO A 17 5.085 3.329 0.103 1.00 0.00 C +ATOM 254 O PRO A 17 4.453 3.095 -0.930 1.00 0.00 O +ATOM 255 CB PRO A 17 7.322 4.523 -0.149 1.00 0.00 C +ATOM 256 CG PRO A 17 7.496 4.553 -1.666 1.00 0.00 C +ATOM 257 CD PRO A 17 7.747 3.086 -2.015 1.00 0.00 C +ATOM 258 HA PRO A 17 6.949 2.777 1.062 1.00 0.00 H +ATOM 259 HB2 PRO A 17 6.713 5.342 0.184 1.00 0.00 H +ATOM 260 HB3 PRO A 17 8.304 4.513 0.328 1.00 0.00 H +ATOM 261 HG2 PRO A 17 6.610 4.918 -2.148 1.00 0.00 H +ATOM 262 HG3 PRO A 17 8.331 5.187 -1.966 1.00 0.00 H +ATOM 263 HD2 PRO A 17 7.329 2.855 -2.976 1.00 0.00 H +ATOM 264 HD3 PRO A 17 8.819 2.881 -1.995 1.00 0.00 H +ATOM 265 N PRO A 18 4.472 3.730 1.236 1.00 0.00 N +ATOM 266 CA PRO A 18 3.027 3.921 1.331 1.00 0.00 C +ATOM 267 C PRO A 18 2.560 5.180 0.573 1.00 0.00 C +ATOM 268 O PRO A 18 3.278 6.182 0.545 1.00 0.00 O +ATOM 269 CB PRO A 18 2.729 4.033 2.829 1.00 0.00 C +ATOM 270 CG PRO A 18 4.024 4.603 3.406 1.00 0.00 C +ATOM 271 CD PRO A 18 5.103 3.976 2.524 1.00 0.00 C +ATOM 272 HA PRO A 18 2.530 3.041 0.935 1.00 0.00 H +ATOM 273 HB2 PRO A 18 1.904 4.696 3.008 1.00 0.00 H +ATOM 274 HB3 PRO A 18 2.555 3.040 3.241 1.00 0.00 H +ATOM 275 HG2 PRO A 18 4.040 5.673 3.332 1.00 0.00 H +ATOM 276 HG3 PRO A 18 4.152 4.336 4.455 1.00 0.00 H +ATOM 277 HD2 PRO A 18 5.931 4.649 2.412 1.00 0.00 H +ATOM 278 HD3 PRO A 18 5.423 3.028 2.956 1.00 0.00 H +ATOM 279 N PRO A 19 1.350 5.165 -0.019 1.00 0.00 N +ATOM 280 CA PRO A 19 0.784 6.306 -0.729 1.00 0.00 C +ATOM 281 C PRO A 19 0.140 7.315 0.240 1.00 0.00 C +ATOM 282 O PRO A 19 -0.739 6.964 1.032 1.00 0.00 O +ATOM 283 CB PRO A 19 -0.244 5.698 -1.684 1.00 0.00 C +ATOM 284 CG PRO A 19 -0.754 4.477 -0.918 1.00 0.00 C +ATOM 285 CD PRO A 19 0.472 4.010 -0.137 1.00 0.00 C +ATOM 286 HA PRO A 19 1.559 6.806 -1.311 1.00 0.00 H +ATOM 287 HB2 PRO A 19 -1.041 6.389 -1.882 1.00 0.00 H +ATOM 288 HB3 PRO A 19 0.259 5.368 -2.595 1.00 0.00 H +ATOM 289 HG2 PRO A 19 -1.552 4.747 -0.254 1.00 0.00 H +ATOM 290 HG3 PRO A 19 -1.111 3.700 -1.593 1.00 0.00 H +ATOM 291 HD2 PRO A 19 0.182 3.664 0.836 1.00 0.00 H +ATOM 292 HD3 PRO A 19 0.986 3.234 -0.702 1.00 0.00 H +ATOM 293 N SER A 20 0.543 8.582 0.113 1.00 0.00 N +ATOM 294 CA SER A 20 0.016 9.748 0.833 1.00 0.00 C +ATOM 295 C SER A 20 -0.159 10.912 -0.134 1.00 0.00 C +ATOM 296 O SER A 20 -1.277 11.467 -0.133 1.00 0.00 O +ATOM 297 CB SER A 20 0.963 10.142 1.970 1.00 0.00 C +ATOM 298 OG SER A 20 0.800 9.241 3.044 1.00 0.00 O +ATOM 299 OXT SER A 20 0.816 11.191 -0.866 1.00 0.00 O +ATOM 300 H SER A 20 1.245 8.811 -0.579 1.00 0.00 H +ATOM 301 HA SER A 20 -0.972 9.534 1.233 1.00 0.00 H +ATOM 302 HB2 SER A 20 1.977 10.105 1.621 1.00 0.00 H +ATOM 303 HB3 SER A 20 0.729 11.154 2.307 1.00 0.00 H +ATOM 304 HG SER A 20 -0.132 9.020 3.102 1.00 0.00 H +TER 305 SER A 20 +ENDMDL +MODEL 35 +ATOM 1 N ASN A 1 -5.868 7.107 0.465 1.00 0.00 N +ATOM 2 CA ASN A 1 -6.755 6.451 -0.528 1.00 0.00 C +ATOM 3 C ASN A 1 -6.147 5.130 -1.011 1.00 0.00 C +ATOM 4 O ASN A 1 -6.599 4.083 -0.564 1.00 0.00 O +ATOM 5 CB ASN A 1 -7.175 7.413 -1.661 1.00 0.00 C +ATOM 6 CG ASN A 1 -8.572 7.064 -2.164 1.00 0.00 C +ATOM 7 OD1 ASN A 1 -8.793 5.981 -2.676 1.00 0.00 O +ATOM 8 ND2 ASN A 1 -9.552 7.938 -2.002 1.00 0.00 N +ATOM 9 H1 ASN A 1 -5.629 6.454 1.200 1.00 0.00 H +ATOM 10 H2 ASN A 1 -5.021 7.437 0.025 1.00 0.00 H +ATOM 11 H3 ASN A 1 -6.346 7.894 0.882 1.00 0.00 H +ATOM 12 HA ASN A 1 -7.671 6.165 -0.007 1.00 0.00 H +ATOM 13 HB2 ASN A 1 -7.174 8.419 -1.289 1.00 0.00 H +ATOM 14 HB3 ASN A 1 -6.479 7.362 -2.498 1.00 0.00 H +ATOM 15 HD21 ASN A 1 -9.433 8.852 -1.600 1.00 0.00 H +ATOM 16 HD22 ASN A 1 -10.445 7.627 -2.351 1.00 0.00 H +ATOM 17 N LEU A 2 -5.067 5.159 -1.809 1.00 0.00 N +ATOM 18 CA LEU A 2 -4.393 3.972 -2.370 1.00 0.00 C +ATOM 19 C LEU A 2 -3.815 2.986 -1.322 1.00 0.00 C +ATOM 20 O LEU A 2 -3.405 1.881 -1.670 1.00 0.00 O +ATOM 21 CB LEU A 2 -3.318 4.475 -3.359 1.00 0.00 C +ATOM 22 CG LEU A 2 -2.775 3.391 -4.321 1.00 0.00 C +ATOM 23 CD1 LEU A 2 -2.886 3.852 -5.776 1.00 0.00 C +ATOM 24 CD2 LEU A 2 -1.305 3.059 -4.036 1.00 0.00 C +ATOM 25 H LEU A 2 -4.731 6.044 -2.158 1.00 0.00 H +ATOM 26 HA LEU A 2 -5.136 3.416 -2.944 1.00 0.00 H +ATOM 27 HB2 LEU A 2 -3.747 5.262 -3.949 1.00 0.00 H +ATOM 28 HB3 LEU A 2 -2.496 4.924 -2.803 1.00 0.00 H +ATOM 29 HG LEU A 2 -3.366 2.482 -4.221 1.00 0.00 H +ATOM 30 HD11 LEU A 2 -3.924 4.091 -6.007 1.00 0.00 H +ATOM 31 HD12 LEU A 2 -2.264 4.732 -5.945 1.00 0.00 H +ATOM 32 HD13 LEU A 2 -2.567 3.048 -6.440 1.00 0.00 H +ATOM 33 HD21 LEU A 2 -0.682 3.941 -4.189 1.00 0.00 H +ATOM 34 HD22 LEU A 2 -1.195 2.711 -3.010 1.00 0.00 H +ATOM 35 HD23 LEU A 2 -0.974 2.268 -4.708 1.00 0.00 H +ATOM 36 N TYR A 3 -3.811 3.352 -0.033 1.00 0.00 N +ATOM 37 CA TYR A 3 -3.274 2.565 1.082 1.00 0.00 C +ATOM 38 C TYR A 3 -3.871 1.151 1.162 1.00 0.00 C +ATOM 39 O TYR A 3 -3.162 0.203 1.485 1.00 0.00 O +ATOM 40 CB TYR A 3 -3.498 3.331 2.395 1.00 0.00 C +ATOM 41 CG TYR A 3 -2.474 3.026 3.471 1.00 0.00 C +ATOM 42 CD1 TYR A 3 -2.556 1.845 4.232 1.00 0.00 C +ATOM 43 CD2 TYR A 3 -1.445 3.950 3.728 1.00 0.00 C +ATOM 44 CE1 TYR A 3 -1.614 1.596 5.250 1.00 0.00 C +ATOM 45 CE2 TYR A 3 -0.515 3.719 4.759 1.00 0.00 C +ATOM 46 CZ TYR A 3 -0.602 2.538 5.524 1.00 0.00 C +ATOM 47 OH TYR A 3 0.272 2.308 6.543 1.00 0.00 O +ATOM 48 H TYR A 3 -4.199 4.255 0.180 1.00 0.00 H +ATOM 49 HA TYR A 3 -2.199 2.466 0.933 1.00 0.00 H +ATOM 50 HB2 TYR A 3 -3.461 4.382 2.183 1.00 0.00 H +ATOM 51 HB3 TYR A 3 -4.496 3.115 2.779 1.00 0.00 H +ATOM 52 HD1 TYR A 3 -3.347 1.135 4.044 1.00 0.00 H +ATOM 53 HD2 TYR A 3 -1.383 4.866 3.163 1.00 0.00 H +ATOM 54 HE1 TYR A 3 -1.662 0.704 5.850 1.00 0.00 H +ATOM 55 HE2 TYR A 3 0.238 4.465 4.970 1.00 0.00 H +ATOM 56 HH TYR A 3 0.748 3.106 6.781 1.00 0.00 H +ATOM 57 N ILE A 4 -5.156 0.994 0.814 1.00 0.00 N +ATOM 58 CA ILE A 4 -5.850 -0.301 0.744 1.00 0.00 C +ATOM 59 C ILE A 4 -5.166 -1.221 -0.284 1.00 0.00 C +ATOM 60 O ILE A 4 -4.867 -2.383 0.001 1.00 0.00 O +ATOM 61 CB ILE A 4 -7.341 -0.069 0.393 1.00 0.00 C +ATOM 62 CG1 ILE A 4 -8.074 0.816 1.434 1.00 0.00 C +ATOM 63 CG2 ILE A 4 -8.093 -1.407 0.261 1.00 0.00 C +ATOM 64 CD1 ILE A 4 -9.121 1.725 0.775 1.00 0.00 C +ATOM 65 H ILE A 4 -5.666 1.828 0.551 1.00 0.00 H +ATOM 66 HA ILE A 4 -5.792 -0.788 1.718 1.00 0.00 H +ATOM 67 HB ILE A 4 -7.379 0.436 -0.575 1.00 0.00 H +ATOM 68 HG12 ILE A 4 -8.565 0.180 2.146 1.00 0.00 H +ATOM 69 HG13 ILE A 4 -7.376 1.460 1.967 1.00 0.00 H +ATOM 70 HG21 ILE A 4 -7.735 -1.962 -0.606 1.00 0.00 H +ATOM 71 HG22 ILE A 4 -7.943 -2.009 1.159 1.00 0.00 H +ATOM 72 HG23 ILE A 4 -9.159 -1.227 0.131 1.00 0.00 H +ATOM 73 HD11 ILE A 4 -8.623 2.466 0.151 1.00 0.00 H +ATOM 74 HD12 ILE A 4 -9.802 1.138 0.157 1.00 0.00 H +ATOM 75 HD13 ILE A 4 -9.693 2.241 1.546 1.00 0.00 H +ATOM 76 N GLN A 5 -4.893 -0.684 -1.479 1.00 0.00 N +ATOM 77 CA GLN A 5 -4.220 -1.377 -2.577 1.00 0.00 C +ATOM 78 C GLN A 5 -2.743 -1.658 -2.245 1.00 0.00 C +ATOM 79 O GLN A 5 -2.248 -2.748 -2.519 1.00 0.00 O +ATOM 80 CB GLN A 5 -4.380 -0.533 -3.859 1.00 0.00 C +ATOM 81 CG GLN A 5 -4.875 -1.373 -5.046 1.00 0.00 C +ATOM 82 CD GLN A 5 -5.310 -0.493 -6.218 1.00 0.00 C +ATOM 83 OE1 GLN A 5 -4.652 0.465 -6.592 1.00 0.00 O +ATOM 84 NE2 GLN A 5 -6.447 -0.772 -6.830 1.00 0.00 N +ATOM 85 H GLN A 5 -5.079 0.301 -1.598 1.00 0.00 H +ATOM 86 HA GLN A 5 -4.712 -2.339 -2.718 1.00 0.00 H +ATOM 87 HB2 GLN A 5 -5.088 0.251 -3.671 1.00 0.00 H +ATOM 88 HB3 GLN A 5 -3.433 -0.060 -4.120 1.00 0.00 H +ATOM 89 HG2 GLN A 5 -4.081 -2.018 -5.371 1.00 0.00 H +ATOM 90 HG3 GLN A 5 -5.728 -1.974 -4.725 1.00 0.00 H +ATOM 91 HE21 GLN A 5 -7.033 -1.546 -6.574 1.00 0.00 H +ATOM 92 HE22 GLN A 5 -6.664 -0.145 -7.586 1.00 0.00 H +ATOM 93 N TRP A 6 -2.061 -0.708 -1.593 1.00 0.00 N +ATOM 94 CA TRP A 6 -0.699 -0.882 -1.080 1.00 0.00 C +ATOM 95 C TRP A 6 -0.600 -1.986 -0.008 1.00 0.00 C +ATOM 96 O TRP A 6 0.299 -2.830 -0.069 1.00 0.00 O +ATOM 97 CB TRP A 6 -0.198 0.465 -0.550 1.00 0.00 C +ATOM 98 CG TRP A 6 1.182 0.437 0.022 1.00 0.00 C +ATOM 99 CD1 TRP A 6 2.329 0.427 -0.694 1.00 0.00 C +ATOM 100 CD2 TRP A 6 1.580 0.373 1.425 1.00 0.00 C +ATOM 101 NE1 TRP A 6 3.407 0.351 0.167 1.00 0.00 N +ATOM 102 CE2 TRP A 6 3.005 0.332 1.482 1.00 0.00 C +ATOM 103 CE3 TRP A 6 0.886 0.337 2.656 1.00 0.00 C +ATOM 104 CZ2 TRP A 6 3.709 0.283 2.693 1.00 0.00 C +ATOM 105 CZ3 TRP A 6 1.584 0.265 3.877 1.00 0.00 C +ATOM 106 CH2 TRP A 6 2.991 0.248 3.900 1.00 0.00 C +ATOM 107 H TRP A 6 -2.532 0.184 -1.455 1.00 0.00 H +ATOM 108 HA TRP A 6 -0.054 -1.185 -1.905 1.00 0.00 H +ATOM 109 HB2 TRP A 6 -0.210 1.168 -1.360 1.00 0.00 H +ATOM 110 HB3 TRP A 6 -0.877 0.814 0.226 1.00 0.00 H +ATOM 111 HD1 TRP A 6 2.391 0.455 -1.774 1.00 0.00 H +ATOM 112 HE1 TRP A 6 4.385 0.314 -0.130 1.00 0.00 H +ATOM 113 HE3 TRP A 6 -0.194 0.363 2.653 1.00 0.00 H +ATOM 114 HZ2 TRP A 6 4.789 0.251 2.682 1.00 0.00 H +ATOM 115 HZ3 TRP A 6 1.036 0.230 4.808 1.00 0.00 H +ATOM 116 HH2 TRP A 6 3.515 0.202 4.842 1.00 0.00 H +ATOM 117 N LEU A 7 -1.541 -2.027 0.949 1.00 0.00 N +ATOM 118 CA LEU A 7 -1.640 -3.112 1.929 1.00 0.00 C +ATOM 119 C LEU A 7 -1.889 -4.468 1.261 1.00 0.00 C +ATOM 120 O LEU A 7 -1.238 -5.436 1.646 1.00 0.00 O +ATOM 121 CB LEU A 7 -2.740 -2.826 2.968 1.00 0.00 C +ATOM 122 CG LEU A 7 -2.343 -1.833 4.074 1.00 0.00 C +ATOM 123 CD1 LEU A 7 -3.572 -1.572 4.953 1.00 0.00 C +ATOM 124 CD2 LEU A 7 -1.217 -2.363 4.972 1.00 0.00 C +ATOM 125 H LEU A 7 -2.224 -1.274 0.990 1.00 0.00 H +ATOM 126 HA LEU A 7 -0.682 -3.200 2.437 1.00 0.00 H +ATOM 127 HB2 LEU A 7 -3.591 -2.427 2.451 1.00 0.00 H +ATOM 128 HB3 LEU A 7 -3.015 -3.766 3.448 1.00 0.00 H +ATOM 129 HG LEU A 7 -2.019 -0.896 3.626 1.00 0.00 H +ATOM 130 HD11 LEU A 7 -4.372 -1.143 4.348 1.00 0.00 H +ATOM 131 HD12 LEU A 7 -3.920 -2.504 5.398 1.00 0.00 H +ATOM 132 HD13 LEU A 7 -3.325 -0.876 5.753 1.00 0.00 H +ATOM 133 HD21 LEU A 7 -1.486 -3.340 5.377 1.00 0.00 H +ATOM 134 HD22 LEU A 7 -0.290 -2.450 4.406 1.00 0.00 H +ATOM 135 HD23 LEU A 7 -1.040 -1.673 5.795 1.00 0.00 H +ATOM 136 N LYS A 8 -2.770 -4.540 0.248 1.00 0.00 N +ATOM 137 CA LYS A 8 -3.034 -5.773 -0.517 1.00 0.00 C +ATOM 138 C LYS A 8 -1.772 -6.426 -1.091 1.00 0.00 C +ATOM 139 O LYS A 8 -1.728 -7.650 -1.174 1.00 0.00 O +ATOM 140 CB LYS A 8 -4.047 -5.506 -1.649 1.00 0.00 C +ATOM 141 CG LYS A 8 -5.490 -5.877 -1.287 1.00 0.00 C +ATOM 142 CD LYS A 8 -5.698 -7.403 -1.249 1.00 0.00 C +ATOM 143 CE LYS A 8 -7.160 -7.768 -0.972 1.00 0.00 C +ATOM 144 NZ LYS A 8 -8.019 -7.558 -2.161 1.00 0.00 N +ATOM 145 H LYS A 8 -3.298 -3.699 0.023 1.00 0.00 H +ATOM 146 HA LYS A 8 -3.441 -6.510 0.174 1.00 0.00 H +ATOM 147 HB2 LYS A 8 -4.017 -4.461 -1.891 1.00 0.00 H +ATOM 148 HB3 LYS A 8 -3.763 -6.070 -2.541 1.00 0.00 H +ATOM 149 HG2 LYS A 8 -5.721 -5.471 -0.321 1.00 0.00 H +ATOM 150 HG3 LYS A 8 -6.147 -5.448 -2.044 1.00 0.00 H +ATOM 151 HD2 LYS A 8 -5.409 -7.817 -2.196 1.00 0.00 H +ATOM 152 HD3 LYS A 8 -5.085 -7.829 -0.456 1.00 0.00 H +ATOM 153 HE2 LYS A 8 -7.211 -8.801 -0.686 1.00 0.00 H +ATOM 154 HE3 LYS A 8 -7.517 -7.163 -0.132 1.00 0.00 H +ATOM 155 HZ1 LYS A 8 -7.967 -6.595 -2.466 1.00 0.00 H +ATOM 156 HZ2 LYS A 8 -7.713 -8.153 -2.920 1.00 0.00 H +ATOM 157 HZ3 LYS A 8 -8.983 -7.781 -1.944 1.00 0.00 H +ATOM 158 N ASP A 9 -0.765 -5.631 -1.463 1.00 0.00 N +ATOM 159 CA ASP A 9 0.519 -6.121 -1.972 1.00 0.00 C +ATOM 160 C ASP A 9 1.445 -6.678 -0.865 1.00 0.00 C +ATOM 161 O ASP A 9 2.350 -7.452 -1.161 1.00 0.00 O +ATOM 162 CB ASP A 9 1.192 -4.971 -2.744 1.00 0.00 C +ATOM 163 CG ASP A 9 2.106 -5.477 -3.863 1.00 0.00 C +ATOM 164 OD1 ASP A 9 1.541 -5.942 -4.878 1.00 0.00 O +ATOM 165 OD2 ASP A 9 3.339 -5.352 -3.715 1.00 0.00 O +ATOM 166 H ASP A 9 -0.913 -4.632 -1.417 1.00 0.00 H +ATOM 167 HA ASP A 9 0.324 -6.932 -2.676 1.00 0.00 H +ATOM 168 HB2 ASP A 9 0.429 -4.352 -3.175 1.00 0.00 H +ATOM 169 HB3 ASP A 9 1.743 -4.334 -2.055 1.00 0.00 H +ATOM 170 N GLY A 10 1.199 -6.324 0.409 1.00 0.00 N +ATOM 171 CA GLY A 10 2.035 -6.695 1.561 1.00 0.00 C +ATOM 172 C GLY A 10 2.549 -5.516 2.405 1.00 0.00 C +ATOM 173 O GLY A 10 3.396 -5.721 3.280 1.00 0.00 O +ATOM 174 H GLY A 10 0.336 -5.822 0.592 1.00 0.00 H +ATOM 175 HA2 GLY A 10 1.449 -7.339 2.217 1.00 0.00 H +ATOM 176 HA3 GLY A 10 2.902 -7.263 1.226 1.00 0.00 H +ATOM 177 N GLY A 11 2.066 -4.289 2.167 1.00 0.00 N +ATOM 178 CA GLY A 11 2.482 -3.079 2.879 1.00 0.00 C +ATOM 179 C GLY A 11 4.013 -2.881 2.908 1.00 0.00 C +ATOM 180 O GLY A 11 4.621 -2.749 1.846 1.00 0.00 O +ATOM 181 H GLY A 11 1.409 -4.178 1.404 1.00 0.00 H +ATOM 182 HA2 GLY A 11 2.044 -2.219 2.376 1.00 0.00 H +ATOM 183 HA3 GLY A 11 2.076 -3.118 3.887 1.00 0.00 H +ATOM 184 N PRO A 12 4.676 -2.846 4.086 1.00 0.00 N +ATOM 185 CA PRO A 12 6.134 -2.696 4.170 1.00 0.00 C +ATOM 186 C PRO A 12 6.928 -3.774 3.419 1.00 0.00 C +ATOM 187 O PRO A 12 8.047 -3.516 2.983 1.00 0.00 O +ATOM 188 CB PRO A 12 6.477 -2.732 5.665 1.00 0.00 C +ATOM 189 CG PRO A 12 5.171 -2.350 6.354 1.00 0.00 C +ATOM 190 CD PRO A 12 4.103 -2.919 5.422 1.00 0.00 C +ATOM 191 HA PRO A 12 6.404 -1.720 3.765 1.00 0.00 H +ATOM 192 HB2 PRO A 12 6.791 -3.715 5.961 1.00 0.00 H +ATOM 193 HB3 PRO A 12 7.280 -2.035 5.906 1.00 0.00 H +ATOM 194 HG2 PRO A 12 5.107 -2.794 7.329 1.00 0.00 H +ATOM 195 HG3 PRO A 12 5.083 -1.262 6.389 1.00 0.00 H +ATOM 196 HD2 PRO A 12 3.883 -3.937 5.681 1.00 0.00 H +ATOM 197 HD3 PRO A 12 3.191 -2.329 5.510 1.00 0.00 H +ATOM 198 N SER A 13 6.360 -4.977 3.249 1.00 0.00 N +ATOM 199 CA SER A 13 7.010 -6.099 2.562 1.00 0.00 C +ATOM 200 C SER A 13 6.911 -6.017 1.027 1.00 0.00 C +ATOM 201 O SER A 13 7.428 -6.898 0.345 1.00 0.00 O +ATOM 202 CB SER A 13 6.444 -7.423 3.092 1.00 0.00 C +ATOM 203 OG SER A 13 6.672 -7.521 4.489 1.00 0.00 O +ATOM 204 H SER A 13 5.417 -5.134 3.594 1.00 0.00 H +ATOM 205 HA SER A 13 8.075 -6.080 2.799 1.00 0.00 H +ATOM 206 HB2 SER A 13 5.389 -7.461 2.900 1.00 0.00 H +ATOM 207 HB3 SER A 13 6.937 -8.259 2.596 1.00 0.00 H +ATOM 208 HG SER A 13 7.611 -7.422 4.660 1.00 0.00 H +ATOM 209 N SER A 14 6.292 -4.962 0.480 1.00 0.00 N +ATOM 210 CA SER A 14 6.048 -4.754 -0.957 1.00 0.00 C +ATOM 211 C SER A 14 7.176 -4.018 -1.697 1.00 0.00 C +ATOM 212 O SER A 14 7.059 -3.747 -2.892 1.00 0.00 O +ATOM 213 CB SER A 14 4.777 -3.919 -1.127 1.00 0.00 C +ATOM 214 OG SER A 14 3.709 -4.470 -0.389 1.00 0.00 O +ATOM 215 H SER A 14 5.828 -4.305 1.101 1.00 0.00 H +ATOM 216 HA SER A 14 5.888 -5.719 -1.440 1.00 0.00 H +ATOM 217 HB2 SER A 14 4.964 -2.920 -0.782 1.00 0.00 H +ATOM 218 HB3 SER A 14 4.508 -3.877 -2.181 1.00 0.00 H +ATOM 219 HG SER A 14 2.926 -3.939 -0.562 1.00 0.00 H +ATOM 220 N GLY A 15 8.243 -3.596 -1.007 1.00 0.00 N +ATOM 221 CA GLY A 15 9.361 -2.835 -1.585 1.00 0.00 C +ATOM 222 C GLY A 15 9.056 -1.352 -1.859 1.00 0.00 C +ATOM 223 O GLY A 15 9.930 -0.509 -1.670 1.00 0.00 O +ATOM 224 H GLY A 15 8.265 -3.821 -0.022 1.00 0.00 H +ATOM 225 HA2 GLY A 15 10.215 -2.889 -0.911 1.00 0.00 H +ATOM 226 HA3 GLY A 15 9.653 -3.296 -2.529 1.00 0.00 H +ATOM 227 N ARG A 16 7.831 -1.015 -2.290 1.00 0.00 N +ATOM 228 CA ARG A 16 7.367 0.368 -2.493 1.00 0.00 C +ATOM 229 C ARG A 16 6.877 0.999 -1.170 1.00 0.00 C +ATOM 230 O ARG A 16 6.119 0.344 -0.451 1.00 0.00 O +ATOM 231 CB ARG A 16 6.250 0.369 -3.554 1.00 0.00 C +ATOM 232 CG ARG A 16 5.874 1.792 -3.992 1.00 0.00 C +ATOM 233 CD ARG A 16 4.768 1.802 -5.052 1.00 0.00 C +ATOM 234 NE ARG A 16 4.592 3.152 -5.624 1.00 0.00 N +ATOM 235 CZ ARG A 16 5.342 3.725 -6.562 1.00 0.00 C +ATOM 236 NH1 ARG A 16 6.353 3.099 -7.118 1.00 0.00 N +ATOM 237 NH2 ARG A 16 5.089 4.951 -6.960 1.00 0.00 N +ATOM 238 H ARG A 16 7.202 -1.790 -2.478 1.00 0.00 H +ATOM 239 HA ARG A 16 8.215 0.937 -2.874 1.00 0.00 H +ATOM 240 HB2 ARG A 16 6.587 -0.180 -4.412 1.00 0.00 H +ATOM 241 HB3 ARG A 16 5.369 -0.141 -3.162 1.00 0.00 H +ATOM 242 HG2 ARG A 16 5.534 2.339 -3.134 1.00 0.00 H +ATOM 243 HG3 ARG A 16 6.762 2.274 -4.401 1.00 0.00 H +ATOM 244 HD2 ARG A 16 5.029 1.120 -5.838 1.00 0.00 H +ATOM 245 HD3 ARG A 16 3.833 1.483 -4.587 1.00 0.00 H +ATOM 246 HE ARG A 16 3.843 3.705 -5.240 1.00 0.00 H +ATOM 247 HH11 ARG A 16 6.545 2.161 -6.819 1.00 0.00 H +ATOM 248 HH12 ARG A 16 6.918 3.536 -7.824 1.00 0.00 H +ATOM 249 HH21 ARG A 16 4.328 5.470 -6.560 1.00 0.00 H +ATOM 250 HH22 ARG A 16 5.659 5.373 -7.669 1.00 0.00 H +ATOM 251 N PRO A 17 7.221 2.269 -0.859 1.00 0.00 N +ATOM 252 CA PRO A 17 6.705 2.983 0.318 1.00 0.00 C +ATOM 253 C PRO A 17 5.183 3.245 0.249 1.00 0.00 C +ATOM 254 O PRO A 17 4.594 3.146 -0.833 1.00 0.00 O +ATOM 255 CB PRO A 17 7.498 4.298 0.370 1.00 0.00 C +ATOM 256 CG PRO A 17 7.885 4.544 -1.084 1.00 0.00 C +ATOM 257 CD PRO A 17 8.134 3.131 -1.601 1.00 0.00 C +ATOM 258 HA PRO A 17 6.917 2.397 1.214 1.00 0.00 H +ATOM 259 HB2 PRO A 17 6.889 5.098 0.744 1.00 0.00 H +ATOM 260 HB3 PRO A 17 8.399 4.155 0.967 1.00 0.00 H +ATOM 261 HG2 PRO A 17 7.088 5.020 -1.623 1.00 0.00 H +ATOM 262 HG3 PRO A 17 8.772 5.172 -1.170 1.00 0.00 H +ATOM 263 HD2 PRO A 17 7.928 3.076 -2.653 1.00 0.00 H +ATOM 264 HD3 PRO A 17 9.163 2.835 -1.385 1.00 0.00 H +ATOM 265 N PRO A 18 4.535 3.602 1.379 1.00 0.00 N +ATOM 266 CA PRO A 18 3.098 3.869 1.415 1.00 0.00 C +ATOM 267 C PRO A 18 2.719 5.165 0.669 1.00 0.00 C +ATOM 268 O PRO A 18 3.544 6.071 0.542 1.00 0.00 O +ATOM 269 CB PRO A 18 2.731 3.957 2.902 1.00 0.00 C +ATOM 270 CG PRO A 18 4.030 4.415 3.560 1.00 0.00 C +ATOM 271 CD PRO A 18 5.106 3.739 2.712 1.00 0.00 C +ATOM 272 HA PRO A 18 2.577 3.026 0.967 1.00 0.00 H +ATOM 273 HB2 PRO A 18 1.947 4.671 3.062 1.00 0.00 H +ATOM 274 HB3 PRO A 18 2.465 2.968 3.271 1.00 0.00 H +ATOM 275 HG2 PRO A 18 4.125 5.483 3.523 1.00 0.00 H +ATOM 276 HG3 PRO A 18 4.086 4.106 4.605 1.00 0.00 H +ATOM 277 HD2 PRO A 18 5.991 4.345 2.679 1.00 0.00 H +ATOM 278 HD3 PRO A 18 5.326 2.749 3.115 1.00 0.00 H +ATOM 279 N PRO A 19 1.459 5.284 0.203 1.00 0.00 N +ATOM 280 CA PRO A 19 0.978 6.448 -0.545 1.00 0.00 C +ATOM 281 C PRO A 19 0.572 7.643 0.336 1.00 0.00 C +ATOM 282 O PRO A 19 0.552 8.771 -0.151 1.00 0.00 O +ATOM 283 CB PRO A 19 -0.242 5.929 -1.311 1.00 0.00 C +ATOM 284 CG PRO A 19 -0.801 4.845 -0.388 1.00 0.00 C +ATOM 285 CD PRO A 19 0.449 4.236 0.235 1.00 0.00 C +ATOM 286 HA PRO A 19 1.734 6.784 -1.254 1.00 0.00 H +ATOM 287 HB2 PRO A 19 -0.960 6.711 -1.465 1.00 0.00 H +ATOM 288 HB3 PRO A 19 0.084 5.476 -2.248 1.00 0.00 H +ATOM 289 HG2 PRO A 19 -1.437 5.271 0.364 1.00 0.00 H +ATOM 290 HG3 PRO A 19 -1.352 4.094 -0.947 1.00 0.00 H +ATOM 291 HD2 PRO A 19 0.254 3.936 1.246 1.00 0.00 H +ATOM 292 HD3 PRO A 19 0.782 3.395 -0.374 1.00 0.00 H +ATOM 293 N SER A 20 0.203 7.390 1.598 1.00 0.00 N +ATOM 294 CA SER A 20 -0.287 8.373 2.572 1.00 0.00 C +ATOM 295 C SER A 20 -0.081 7.848 3.993 1.00 0.00 C +ATOM 296 O SER A 20 -0.913 6.978 4.355 1.00 0.00 O +ATOM 297 CB SER A 20 -1.774 8.674 2.311 1.00 0.00 C +ATOM 298 OG SER A 20 -2.506 7.508 2.636 1.00 0.00 O +ATOM 299 OXT SER A 20 0.876 8.292 4.654 1.00 0.00 O +ATOM 300 H SER A 20 0.248 6.431 1.907 1.00 0.00 H +ATOM 301 HA SER A 20 0.288 9.295 2.477 1.00 0.00 H +ATOM 302 HB2 SER A 20 -2.096 9.492 2.926 1.00 0.00 H +ATOM 303 HB3 SER A 20 -1.935 8.957 1.270 1.00 0.00 H +ATOM 304 HG SER A 20 -1.946 7.163 3.425 1.00 0.00 H +TER 305 SER A 20 +ENDMDL +MODEL 36 +ATOM 1 N ASN A 1 -8.345 5.007 0.601 1.00 0.00 N +ATOM 2 CA ASN A 1 -8.415 4.187 -0.632 1.00 0.00 C +ATOM 3 C ASN A 1 -7.045 3.669 -1.059 1.00 0.00 C +ATOM 4 O ASN A 1 -6.816 2.479 -0.901 1.00 0.00 O +ATOM 5 CB ASN A 1 -9.197 4.893 -1.758 1.00 0.00 C +ATOM 6 CG ASN A 1 -10.643 5.166 -1.337 1.00 0.00 C +ATOM 7 OD1 ASN A 1 -10.996 4.994 -0.179 1.00 0.00 O +ATOM 8 ND2 ASN A 1 -11.503 5.612 -2.232 1.00 0.00 N +ATOM 9 H1 ASN A 1 -7.873 4.502 1.338 1.00 0.00 H +ATOM 10 H2 ASN A 1 -7.870 5.880 0.423 1.00 0.00 H +ATOM 11 H3 ASN A 1 -9.297 5.207 0.895 1.00 0.00 H +ATOM 12 HA ASN A 1 -8.987 3.291 -0.382 1.00 0.00 H +ATOM 13 HB2 ASN A 1 -8.717 5.825 -1.987 1.00 0.00 H +ATOM 14 HB3 ASN A 1 -9.208 4.248 -2.640 1.00 0.00 H +ATOM 15 HD21 ASN A 1 -11.263 5.791 -3.194 1.00 0.00 H +ATOM 16 HD22 ASN A 1 -12.436 5.760 -1.880 1.00 0.00 H +ATOM 17 N LEU A 2 -6.121 4.518 -1.533 1.00 0.00 N +ATOM 18 CA LEU A 2 -4.809 4.093 -2.051 1.00 0.00 C +ATOM 19 C LEU A 2 -4.031 3.175 -1.085 1.00 0.00 C +ATOM 20 O LEU A 2 -3.434 2.185 -1.506 1.00 0.00 O +ATOM 21 CB LEU A 2 -3.963 5.337 -2.400 1.00 0.00 C +ATOM 22 CG LEU A 2 -4.300 6.102 -3.694 1.00 0.00 C +ATOM 23 CD1 LEU A 2 -4.155 5.211 -4.929 1.00 0.00 C +ATOM 24 CD2 LEU A 2 -5.687 6.754 -3.691 1.00 0.00 C +ATOM 25 H LEU A 2 -6.348 5.491 -1.680 1.00 0.00 H +ATOM 26 HA LEU A 2 -4.967 3.507 -2.957 1.00 0.00 H +ATOM 27 HB2 LEU A 2 -4.062 6.029 -1.586 1.00 0.00 H +ATOM 28 HB3 LEU A 2 -2.931 5.009 -2.510 1.00 0.00 H +ATOM 29 HG LEU A 2 -3.568 6.906 -3.783 1.00 0.00 H +ATOM 30 HD11 LEU A 2 -3.189 4.708 -4.910 1.00 0.00 H +ATOM 31 HD12 LEU A 2 -4.950 4.465 -4.963 1.00 0.00 H +ATOM 32 HD13 LEU A 2 -4.210 5.824 -5.829 1.00 0.00 H +ATOM 33 HD21 LEU A 2 -6.467 5.996 -3.738 1.00 0.00 H +ATOM 34 HD22 LEU A 2 -5.803 7.376 -2.804 1.00 0.00 H +ATOM 35 HD23 LEU A 2 -5.778 7.392 -4.570 1.00 0.00 H +ATOM 36 N TYR A 3 -4.080 3.473 0.219 1.00 0.00 N +ATOM 37 CA TYR A 3 -3.443 2.669 1.265 1.00 0.00 C +ATOM 38 C TYR A 3 -3.970 1.221 1.326 1.00 0.00 C +ATOM 39 O TYR A 3 -3.220 0.316 1.685 1.00 0.00 O +ATOM 40 CB TYR A 3 -3.618 3.386 2.614 1.00 0.00 C +ATOM 41 CG TYR A 3 -2.451 3.202 3.563 1.00 0.00 C +ATOM 42 CD1 TYR A 3 -2.336 2.022 4.319 1.00 0.00 C +ATOM 43 CD2 TYR A 3 -1.484 4.220 3.700 1.00 0.00 C +ATOM 44 CE1 TYR A 3 -1.266 1.859 5.218 1.00 0.00 C +ATOM 45 CE2 TYR A 3 -0.422 4.070 4.610 1.00 0.00 C +ATOM 46 CZ TYR A 3 -0.314 2.887 5.374 1.00 0.00 C +ATOM 47 OH TYR A 3 0.689 2.738 6.281 1.00 0.00 O +ATOM 48 H TYR A 3 -4.533 4.332 0.484 1.00 0.00 H +ATOM 49 HA TYR A 3 -2.376 2.623 1.045 1.00 0.00 H +ATOM 50 HB2 TYR A 3 -3.738 4.435 2.426 1.00 0.00 H +ATOM 51 HB3 TYR A 3 -4.533 3.034 3.097 1.00 0.00 H +ATOM 52 HD1 TYR A 3 -3.073 1.242 4.208 1.00 0.00 H +ATOM 53 HD2 TYR A 3 -1.561 5.130 3.117 1.00 0.00 H +ATOM 54 HE1 TYR A 3 -1.168 0.961 5.808 1.00 0.00 H +ATOM 55 HE2 TYR A 3 0.304 4.861 4.721 1.00 0.00 H +ATOM 56 HH TYR A 3 1.122 3.570 6.477 1.00 0.00 H +ATOM 57 N ILE A 4 -5.233 0.982 0.940 1.00 0.00 N +ATOM 58 CA ILE A 4 -5.848 -0.352 0.877 1.00 0.00 C +ATOM 59 C ILE A 4 -5.163 -1.178 -0.214 1.00 0.00 C +ATOM 60 O ILE A 4 -4.701 -2.283 0.059 1.00 0.00 O +ATOM 61 CB ILE A 4 -7.377 -0.269 0.636 1.00 0.00 C +ATOM 62 CG1 ILE A 4 -8.108 0.711 1.586 1.00 0.00 C +ATOM 63 CG2 ILE A 4 -8.024 -1.663 0.703 1.00 0.00 C +ATOM 64 CD1 ILE A 4 -8.003 0.381 3.081 1.00 0.00 C +ATOM 65 H ILE A 4 -5.759 1.748 0.533 1.00 0.00 H +ATOM 66 HA ILE A 4 -5.674 -0.861 1.826 1.00 0.00 H +ATOM 67 HB ILE A 4 -7.542 0.099 -0.378 1.00 0.00 H +ATOM 68 HG12 ILE A 4 -7.695 1.690 1.433 1.00 0.00 H +ATOM 69 HG13 ILE A 4 -9.164 0.739 1.316 1.00 0.00 H +ATOM 70 HG21 ILE A 4 -7.622 -2.307 -0.080 1.00 0.00 H +ATOM 71 HG22 ILE A 4 -7.834 -2.127 1.670 1.00 0.00 H +ATOM 72 HG23 ILE A 4 -9.101 -1.579 0.552 1.00 0.00 H +ATOM 73 HD11 ILE A 4 -8.525 -0.550 3.300 1.00 0.00 H +ATOM 74 HD12 ILE A 4 -6.959 0.295 3.382 1.00 0.00 H +ATOM 75 HD13 ILE A 4 -8.466 1.184 3.656 1.00 0.00 H +ATOM 76 N GLN A 5 -5.052 -0.619 -1.428 1.00 0.00 N +ATOM 77 CA GLN A 5 -4.299 -1.207 -2.540 1.00 0.00 C +ATOM 78 C GLN A 5 -2.854 -1.505 -2.123 1.00 0.00 C +ATOM 79 O GLN A 5 -2.421 -2.646 -2.248 1.00 0.00 O +ATOM 80 CB GLN A 5 -4.364 -0.280 -3.767 1.00 0.00 C +ATOM 81 CG GLN A 5 -5.703 -0.407 -4.512 1.00 0.00 C +ATOM 82 CD GLN A 5 -5.997 0.832 -5.354 1.00 0.00 C +ATOM 83 OE1 GLN A 5 -6.747 1.710 -4.957 1.00 0.00 O +ATOM 84 NE2 GLN A 5 -5.409 0.958 -6.528 1.00 0.00 N +ATOM 85 H GLN A 5 -5.422 0.315 -1.546 1.00 0.00 H +ATOM 86 HA GLN A 5 -4.752 -2.163 -2.806 1.00 0.00 H +ATOM 87 HB2 GLN A 5 -4.243 0.735 -3.441 1.00 0.00 H +ATOM 88 HB3 GLN A 5 -3.560 -0.532 -4.460 1.00 0.00 H +ATOM 89 HG2 GLN A 5 -5.663 -1.264 -5.156 1.00 0.00 H +ATOM 90 HG3 GLN A 5 -6.516 -0.529 -3.797 1.00 0.00 H +ATOM 91 HE21 GLN A 5 -4.765 0.277 -6.894 1.00 0.00 H +ATOM 92 HE22 GLN A 5 -5.664 1.794 -7.028 1.00 0.00 H +ATOM 93 N TRP A 6 -2.139 -0.521 -1.559 1.00 0.00 N +ATOM 94 CA TRP A 6 -0.764 -0.708 -1.080 1.00 0.00 C +ATOM 95 C TRP A 6 -0.621 -1.821 -0.023 1.00 0.00 C +ATOM 96 O TRP A 6 0.282 -2.655 -0.123 1.00 0.00 O +ATOM 97 CB TRP A 6 -0.226 0.624 -0.556 1.00 0.00 C +ATOM 98 CG TRP A 6 1.177 0.552 -0.041 1.00 0.00 C +ATOM 99 CD1 TRP A 6 2.291 0.506 -0.805 1.00 0.00 C +ATOM 100 CD2 TRP A 6 1.636 0.472 1.346 1.00 0.00 C +ATOM 101 NE1 TRP A 6 3.401 0.391 0.008 1.00 0.00 N +ATOM 102 CE2 TRP A 6 3.059 0.386 1.338 1.00 0.00 C +ATOM 103 CE3 TRP A 6 1.004 0.469 2.607 1.00 0.00 C +ATOM 104 CZ2 TRP A 6 3.822 0.325 2.511 1.00 0.00 C +ATOM 105 CZ3 TRP A 6 1.758 0.393 3.795 1.00 0.00 C +ATOM 106 CH2 TRP A 6 3.163 0.337 3.750 1.00 0.00 C +ATOM 107 H TRP A 6 -2.566 0.400 -1.493 1.00 0.00 H +ATOM 108 HA TRP A 6 -0.148 -1.012 -1.929 1.00 0.00 H +ATOM 109 HB2 TRP A 6 -0.256 1.338 -1.356 1.00 0.00 H +ATOM 110 HB3 TRP A 6 -0.872 0.979 0.246 1.00 0.00 H +ATOM 111 HD1 TRP A 6 2.305 0.538 -1.888 1.00 0.00 H +ATOM 112 HE1 TRP A 6 4.371 0.349 -0.315 1.00 0.00 H +ATOM 113 HE3 TRP A 6 -0.074 0.535 2.657 1.00 0.00 H +ATOM 114 HZ2 TRP A 6 4.900 0.268 2.446 1.00 0.00 H +ATOM 115 HZ3 TRP A 6 1.258 0.397 4.753 1.00 0.00 H +ATOM 116 HH2 TRP A 6 3.733 0.301 4.667 1.00 0.00 H +ATOM 117 N LEU A 7 -1.520 -1.885 0.971 1.00 0.00 N +ATOM 118 CA LEU A 7 -1.546 -3.008 1.915 1.00 0.00 C +ATOM 119 C LEU A 7 -1.821 -4.345 1.210 1.00 0.00 C +ATOM 120 O LEU A 7 -1.199 -5.346 1.565 1.00 0.00 O +ATOM 121 CB LEU A 7 -2.568 -2.758 3.038 1.00 0.00 C +ATOM 122 CG LEU A 7 -2.110 -1.733 4.094 1.00 0.00 C +ATOM 123 CD1 LEU A 7 -3.291 -1.398 5.011 1.00 0.00 C +ATOM 124 CD2 LEU A 7 -0.966 -2.250 4.977 1.00 0.00 C +ATOM 125 H LEU A 7 -2.224 -1.155 1.053 1.00 0.00 H +ATOM 126 HA LEU A 7 -0.553 -3.100 2.352 1.00 0.00 H +ATOM 127 HB2 LEU A 7 -3.476 -2.399 2.593 1.00 0.00 H +ATOM 128 HB3 LEU A 7 -2.769 -3.700 3.549 1.00 0.00 H +ATOM 129 HG LEU A 7 -1.780 -0.823 3.598 1.00 0.00 H +ATOM 130 HD11 LEU A 7 -4.097 -0.955 4.426 1.00 0.00 H +ATOM 131 HD12 LEU A 7 -3.659 -2.303 5.495 1.00 0.00 H +ATOM 132 HD13 LEU A 7 -2.979 -0.690 5.779 1.00 0.00 H +ATOM 133 HD21 LEU A 7 -1.320 -3.059 5.617 1.00 0.00 H +ATOM 134 HD22 LEU A 7 -0.139 -2.614 4.372 1.00 0.00 H +ATOM 135 HD23 LEU A 7 -0.594 -1.440 5.602 1.00 0.00 H +ATOM 136 N LYS A 8 -2.683 -4.366 0.182 1.00 0.00 N +ATOM 137 CA LYS A 8 -3.015 -5.563 -0.608 1.00 0.00 C +ATOM 138 C LYS A 8 -1.848 -6.159 -1.409 1.00 0.00 C +ATOM 139 O LYS A 8 -1.978 -7.286 -1.891 1.00 0.00 O +ATOM 140 CB LYS A 8 -4.151 -5.246 -1.594 1.00 0.00 C +ATOM 141 CG LYS A 8 -5.168 -6.394 -1.663 1.00 0.00 C +ATOM 142 CD LYS A 8 -5.900 -6.429 -3.012 1.00 0.00 C +ATOM 143 CE LYS A 8 -5.280 -7.448 -3.983 1.00 0.00 C +ATOM 144 NZ LYS A 8 -3.846 -7.183 -4.280 1.00 0.00 N +ATOM 145 H LYS A 8 -3.170 -3.498 -0.036 1.00 0.00 H +ATOM 146 HA LYS A 8 -3.348 -6.330 0.093 1.00 0.00 H +ATOM 147 HB2 LYS A 8 -4.653 -4.353 -1.273 1.00 0.00 H +ATOM 148 HB3 LYS A 8 -3.719 -5.054 -2.577 1.00 0.00 H +ATOM 149 HG2 LYS A 8 -4.651 -7.324 -1.524 1.00 0.00 H +ATOM 150 HG3 LYS A 8 -5.894 -6.248 -0.863 1.00 0.00 H +ATOM 151 HD2 LYS A 8 -6.926 -6.694 -2.842 1.00 0.00 H +ATOM 152 HD3 LYS A 8 -5.919 -5.435 -3.463 1.00 0.00 H +ATOM 153 HE2 LYS A 8 -5.363 -8.426 -3.549 1.00 0.00 H +ATOM 154 HE3 LYS A 8 -5.865 -7.435 -4.907 1.00 0.00 H +ATOM 155 HZ1 LYS A 8 -3.724 -6.252 -4.654 1.00 0.00 H +ATOM 156 HZ2 LYS A 8 -3.274 -7.269 -3.437 1.00 0.00 H +ATOM 157 HZ3 LYS A 8 -3.500 -7.847 -4.959 1.00 0.00 H +ATOM 158 N ASP A 9 -0.761 -5.409 -1.606 1.00 0.00 N +ATOM 159 CA ASP A 9 0.518 -5.887 -2.146 1.00 0.00 C +ATOM 160 C ASP A 9 1.477 -6.413 -1.062 1.00 0.00 C +ATOM 161 O ASP A 9 2.507 -6.993 -1.402 1.00 0.00 O +ATOM 162 CB ASP A 9 1.203 -4.746 -2.916 1.00 0.00 C +ATOM 163 CG ASP A 9 0.565 -4.528 -4.288 1.00 0.00 C +ATOM 164 OD1 ASP A 9 0.935 -5.288 -5.208 1.00 0.00 O +ATOM 165 OD2 ASP A 9 -0.287 -3.621 -4.405 1.00 0.00 O +ATOM 166 H ASP A 9 -0.838 -4.424 -1.369 1.00 0.00 H +ATOM 167 HA ASP A 9 0.340 -6.709 -2.843 1.00 0.00 H +ATOM 168 HB2 ASP A 9 1.118 -3.841 -2.345 1.00 0.00 H +ATOM 169 HB3 ASP A 9 2.251 -4.998 -3.073 1.00 0.00 H +ATOM 170 N GLY A 10 1.166 -6.210 0.226 1.00 0.00 N +ATOM 171 CA GLY A 10 1.990 -6.622 1.367 1.00 0.00 C +ATOM 172 C GLY A 10 2.542 -5.464 2.208 1.00 0.00 C +ATOM 173 O GLY A 10 3.334 -5.711 3.115 1.00 0.00 O +ATOM 174 H GLY A 10 0.272 -5.773 0.437 1.00 0.00 H +ATOM 175 HA2 GLY A 10 1.386 -7.249 2.021 1.00 0.00 H +ATOM 176 HA3 GLY A 10 2.837 -7.217 1.024 1.00 0.00 H +ATOM 177 N GLY A 11 2.159 -4.210 1.925 1.00 0.00 N +ATOM 178 CA GLY A 11 2.661 -3.046 2.655 1.00 0.00 C +ATOM 179 C GLY A 11 4.200 -2.979 2.631 1.00 0.00 C +ATOM 180 O GLY A 11 4.782 -3.116 1.550 1.00 0.00 O +ATOM 181 H GLY A 11 1.535 -4.045 1.144 1.00 0.00 H +ATOM 182 HA2 GLY A 11 2.267 -2.143 2.192 1.00 0.00 H +ATOM 183 HA3 GLY A 11 2.290 -3.099 3.676 1.00 0.00 H +ATOM 184 N PRO A 12 4.884 -2.799 3.785 1.00 0.00 N +ATOM 185 CA PRO A 12 6.347 -2.733 3.841 1.00 0.00 C +ATOM 186 C PRO A 12 7.047 -3.937 3.195 1.00 0.00 C +ATOM 187 O PRO A 12 8.110 -3.775 2.595 1.00 0.00 O +ATOM 188 CB PRO A 12 6.717 -2.624 5.327 1.00 0.00 C +ATOM 189 CG PRO A 12 5.445 -2.101 5.991 1.00 0.00 C +ATOM 190 CD PRO A 12 4.334 -2.698 5.130 1.00 0.00 C +ATOM 191 HA PRO A 12 6.671 -1.826 3.329 1.00 0.00 H +ATOM 192 HB2 PRO A 12 6.987 -3.584 5.724 1.00 0.00 H +ATOM 193 HB3 PRO A 12 7.555 -1.942 5.483 1.00 0.00 H +ATOM 194 HG2 PRO A 12 5.372 -2.442 7.006 1.00 0.00 H +ATOM 195 HG3 PRO A 12 5.418 -1.013 5.926 1.00 0.00 H +ATOM 196 HD2 PRO A 12 4.059 -3.669 5.495 1.00 0.00 H +ATOM 197 HD3 PRO A 12 3.452 -2.058 5.170 1.00 0.00 H +ATOM 198 N SER A 13 6.446 -5.136 3.263 1.00 0.00 N +ATOM 199 CA SER A 13 7.011 -6.363 2.690 1.00 0.00 C +ATOM 200 C SER A 13 7.149 -6.316 1.165 1.00 0.00 C +ATOM 201 O SER A 13 7.983 -7.035 0.623 1.00 0.00 O +ATOM 202 CB SER A 13 6.153 -7.573 3.073 1.00 0.00 C +ATOM 203 OG SER A 13 6.053 -7.692 4.480 1.00 0.00 O +ATOM 204 H SER A 13 5.546 -5.219 3.725 1.00 0.00 H +ATOM 205 HA SER A 13 8.010 -6.507 3.102 1.00 0.00 H +ATOM 206 HB2 SER A 13 5.170 -7.453 2.659 1.00 0.00 H +ATOM 207 HB3 SER A 13 6.605 -8.481 2.668 1.00 0.00 H +ATOM 208 HG SER A 13 6.911 -7.936 4.835 1.00 0.00 H +ATOM 209 N SER A 14 6.381 -5.460 0.473 1.00 0.00 N +ATOM 210 CA SER A 14 6.506 -5.250 -0.977 1.00 0.00 C +ATOM 211 C SER A 14 7.628 -4.264 -1.351 1.00 0.00 C +ATOM 212 O SER A 14 7.865 -4.012 -2.530 1.00 0.00 O +ATOM 213 CB SER A 14 5.167 -4.770 -1.558 1.00 0.00 C +ATOM 214 OG SER A 14 4.894 -5.465 -2.757 1.00 0.00 O +ATOM 215 H SER A 14 5.734 -4.866 0.986 1.00 0.00 H +ATOM 216 HA SER A 14 6.748 -6.210 -1.440 1.00 0.00 H +ATOM 217 HB2 SER A 14 4.383 -4.958 -0.850 1.00 0.00 H +ATOM 218 HB3 SER A 14 5.209 -3.700 -1.766 1.00 0.00 H +ATOM 219 HG SER A 14 3.943 -5.622 -2.814 1.00 0.00 H +ATOM 220 N GLY A 15 8.305 -3.650 -0.369 1.00 0.00 N +ATOM 221 CA GLY A 15 9.425 -2.723 -0.566 1.00 0.00 C +ATOM 222 C GLY A 15 9.041 -1.328 -1.080 1.00 0.00 C +ATOM 223 O GLY A 15 9.718 -0.356 -0.750 1.00 0.00 O +ATOM 224 H GLY A 15 8.061 -3.868 0.595 1.00 0.00 H +ATOM 225 HA2 GLY A 15 9.946 -2.602 0.385 1.00 0.00 H +ATOM 226 HA3 GLY A 15 10.124 -3.163 -1.277 1.00 0.00 H +ATOM 227 N ARG A 16 7.963 -1.202 -1.869 1.00 0.00 N +ATOM 228 CA ARG A 16 7.437 0.089 -2.339 1.00 0.00 C +ATOM 229 C ARG A 16 6.901 0.917 -1.155 1.00 0.00 C +ATOM 230 O ARG A 16 6.143 0.369 -0.352 1.00 0.00 O +ATOM 231 CB ARG A 16 6.345 -0.153 -3.399 1.00 0.00 C +ATOM 232 CG ARG A 16 6.052 1.130 -4.193 1.00 0.00 C +ATOM 233 CD ARG A 16 5.045 0.908 -5.333 1.00 0.00 C +ATOM 234 NE ARG A 16 5.431 1.681 -6.532 1.00 0.00 N +ATOM 235 CZ ARG A 16 5.978 1.218 -7.653 1.00 0.00 C +ATOM 236 NH1 ARG A 16 6.157 -0.064 -7.871 1.00 0.00 N +ATOM 237 NH2 ARG A 16 6.370 2.053 -8.588 1.00 0.00 N +ATOM 238 H ARG A 16 7.514 -2.068 -2.147 1.00 0.00 H +ATOM 239 HA ARG A 16 8.272 0.615 -2.801 1.00 0.00 H +ATOM 240 HB2 ARG A 16 6.677 -0.916 -4.076 1.00 0.00 H +ATOM 241 HB3 ARG A 16 5.432 -0.513 -2.923 1.00 0.00 H +ATOM 242 HG2 ARG A 16 5.653 1.865 -3.521 1.00 0.00 H +ATOM 243 HG3 ARG A 16 6.992 1.485 -4.616 1.00 0.00 H +ATOM 244 HD2 ARG A 16 5.018 -0.136 -5.581 1.00 0.00 H +ATOM 245 HD3 ARG A 16 4.058 1.230 -4.997 1.00 0.00 H +ATOM 246 HE ARG A 16 5.320 2.679 -6.467 1.00 0.00 H +ATOM 247 HH11 ARG A 16 5.847 -0.713 -7.171 1.00 0.00 H +ATOM 248 HH12 ARG A 16 6.562 -0.400 -8.725 1.00 0.00 H +ATOM 249 HH21 ARG A 16 6.273 3.046 -8.463 1.00 0.00 H +ATOM 250 HH22 ARG A 16 6.787 1.699 -9.428 1.00 0.00 H +ATOM 251 N PRO A 17 7.223 2.224 -1.040 1.00 0.00 N +ATOM 252 CA PRO A 17 6.725 3.069 0.048 1.00 0.00 C +ATOM 253 C PRO A 17 5.198 3.267 -0.012 1.00 0.00 C +ATOM 254 O PRO A 17 4.600 3.082 -1.075 1.00 0.00 O +ATOM 255 CB PRO A 17 7.472 4.402 -0.100 1.00 0.00 C +ATOM 256 CG PRO A 17 7.803 4.461 -1.589 1.00 0.00 C +ATOM 257 CD PRO A 17 8.084 2.999 -1.923 1.00 0.00 C +ATOM 258 HA PRO A 17 6.988 2.611 1.003 1.00 0.00 H +ATOM 259 HB2 PRO A 17 6.847 5.226 0.187 1.00 0.00 H +ATOM 260 HB3 PRO A 17 8.397 4.366 0.477 1.00 0.00 H +ATOM 261 HG2 PRO A 17 6.973 4.836 -2.156 1.00 0.00 H +ATOM 262 HG3 PRO A 17 8.662 5.098 -1.791 1.00 0.00 H +ATOM 263 HD2 PRO A 17 7.847 2.797 -2.950 1.00 0.00 H +ATOM 264 HD3 PRO A 17 9.128 2.763 -1.708 1.00 0.00 H +ATOM 265 N PRO A 18 4.558 3.663 1.109 1.00 0.00 N +ATOM 266 CA PRO A 18 3.118 3.895 1.157 1.00 0.00 C +ATOM 267 C PRO A 18 2.704 5.139 0.350 1.00 0.00 C +ATOM 268 O PRO A 18 3.494 6.075 0.206 1.00 0.00 O +ATOM 269 CB PRO A 18 2.775 4.055 2.641 1.00 0.00 C +ATOM 270 CG PRO A 18 4.071 4.582 3.251 1.00 0.00 C +ATOM 271 CD PRO A 18 5.151 3.896 2.419 1.00 0.00 C +ATOM 272 HA PRO A 18 2.608 3.020 0.760 1.00 0.00 H +ATOM 273 HB2 PRO A 18 1.974 4.756 2.776 1.00 0.00 H +ATOM 274 HB3 PRO A 18 2.543 3.080 3.070 1.00 0.00 H +ATOM 275 HG2 PRO A 18 4.134 5.649 3.159 1.00 0.00 H +ATOM 276 HG3 PRO A 18 4.154 4.332 4.308 1.00 0.00 H +ATOM 277 HD2 PRO A 18 6.013 4.529 2.331 1.00 0.00 H +ATOM 278 HD3 PRO A 18 5.412 2.939 2.872 1.00 0.00 H +ATOM 279 N PRO A 19 1.454 5.184 -0.142 1.00 0.00 N +ATOM 280 CA PRO A 19 0.910 6.335 -0.849 1.00 0.00 C +ATOM 281 C PRO A 19 0.561 7.461 0.136 1.00 0.00 C +ATOM 282 O PRO A 19 -0.109 7.228 1.144 1.00 0.00 O +ATOM 283 CB PRO A 19 -0.325 5.804 -1.578 1.00 0.00 C +ATOM 284 CG PRO A 19 -0.816 4.675 -0.671 1.00 0.00 C +ATOM 285 CD PRO A 19 0.464 4.121 -0.057 1.00 0.00 C +ATOM 286 HA PRO A 19 1.631 6.703 -1.581 1.00 0.00 H +ATOM 287 HB2 PRO A 19 -1.071 6.569 -1.676 1.00 0.00 H +ATOM 288 HB3 PRO A 19 -0.024 5.388 -2.541 1.00 0.00 H +ATOM 289 HG2 PRO A 19 -1.472 5.053 0.089 1.00 0.00 H +ATOM 290 HG3 PRO A 19 -1.335 3.905 -1.236 1.00 0.00 H +ATOM 291 HD2 PRO A 19 0.297 3.850 0.968 1.00 0.00 H +ATOM 292 HD3 PRO A 19 0.811 3.272 -0.645 1.00 0.00 H +ATOM 293 N SER A 20 1.026 8.673 -0.178 1.00 0.00 N +ATOM 294 CA SER A 20 0.698 9.933 0.494 1.00 0.00 C +ATOM 295 C SER A 20 -0.638 10.528 0.034 1.00 0.00 C +ATOM 296 O SER A 20 -1.052 10.270 -1.120 1.00 0.00 O +ATOM 297 CB SER A 20 1.845 10.928 0.290 1.00 0.00 C +ATOM 298 OG SER A 20 2.324 10.900 -1.046 1.00 0.00 O +ATOM 299 OXT SER A 20 -1.231 11.239 0.875 1.00 0.00 O +ATOM 300 H SER A 20 1.554 8.807 -1.028 1.00 0.00 H +ATOM 301 HA SER A 20 0.586 9.752 1.561 1.00 0.00 H +ATOM 302 HB2 SER A 20 1.493 11.917 0.514 1.00 0.00 H +ATOM 303 HB3 SER A 20 2.664 10.654 0.959 1.00 0.00 H +ATOM 304 HG SER A 20 2.939 11.625 -1.177 1.00 0.00 H +TER 305 SER A 20 +ENDMDL +MODEL 37 +ATOM 1 N ASN A 1 -5.798 7.479 0.401 1.00 0.00 N +ATOM 2 CA ASN A 1 -6.588 7.022 -0.767 1.00 0.00 C +ATOM 3 C ASN A 1 -6.199 5.613 -1.207 1.00 0.00 C +ATOM 4 O ASN A 1 -7.021 4.713 -1.096 1.00 0.00 O +ATOM 5 CB ASN A 1 -6.557 8.030 -1.932 1.00 0.00 C +ATOM 6 CG ASN A 1 -7.956 8.586 -2.147 1.00 0.00 C +ATOM 7 OD1 ASN A 1 -8.343 9.541 -1.498 1.00 0.00 O +ATOM 8 ND2 ASN A 1 -8.767 7.973 -2.991 1.00 0.00 N +ATOM 9 H1 ASN A 1 -5.816 6.777 1.127 1.00 0.00 H +ATOM 10 H2 ASN A 1 -4.838 7.655 0.131 1.00 0.00 H +ATOM 11 H3 ASN A 1 -6.193 8.335 0.767 1.00 0.00 H +ATOM 12 HA ASN A 1 -7.627 6.938 -0.443 1.00 0.00 H +ATOM 13 HB2 ASN A 1 -5.884 8.832 -1.696 1.00 0.00 H +ATOM 14 HB3 ASN A 1 -6.214 7.562 -2.856 1.00 0.00 H +ATOM 15 HD21 ASN A 1 -8.509 7.171 -3.541 1.00 0.00 H +ATOM 16 HD22 ASN A 1 -9.676 8.400 -3.071 1.00 0.00 H +ATOM 17 N LEU A 2 -4.963 5.401 -1.676 1.00 0.00 N +ATOM 18 CA LEU A 2 -4.527 4.127 -2.262 1.00 0.00 C +ATOM 19 C LEU A 2 -4.002 3.108 -1.223 1.00 0.00 C +ATOM 20 O LEU A 2 -3.490 2.051 -1.588 1.00 0.00 O +ATOM 21 CB LEU A 2 -3.515 4.448 -3.386 1.00 0.00 C +ATOM 22 CG LEU A 2 -3.518 3.386 -4.508 1.00 0.00 C +ATOM 23 CD1 LEU A 2 -3.924 3.985 -5.857 1.00 0.00 C +ATOM 24 CD2 LEU A 2 -2.165 2.687 -4.652 1.00 0.00 C +ATOM 25 H LEU A 2 -4.310 6.167 -1.771 1.00 0.00 H +ATOM 26 HA LEU A 2 -5.403 3.668 -2.726 1.00 0.00 H +ATOM 27 HB2 LEU A 2 -3.766 5.400 -3.813 1.00 0.00 H +ATOM 28 HB3 LEU A 2 -2.516 4.554 -2.964 1.00 0.00 H +ATOM 29 HG LEU A 2 -4.262 2.639 -4.267 1.00 0.00 H +ATOM 30 HD11 LEU A 2 -4.932 4.396 -5.784 1.00 0.00 H +ATOM 31 HD12 LEU A 2 -3.228 4.767 -6.155 1.00 0.00 H +ATOM 32 HD13 LEU A 2 -3.936 3.199 -6.614 1.00 0.00 H +ATOM 33 HD21 LEU A 2 -1.412 3.394 -5.001 1.00 0.00 H +ATOM 34 HD22 LEU A 2 -1.857 2.272 -3.692 1.00 0.00 H +ATOM 35 HD23 LEU A 2 -2.253 1.872 -5.370 1.00 0.00 H +ATOM 36 N TYR A 3 -4.143 3.405 0.077 1.00 0.00 N +ATOM 37 CA TYR A 3 -3.594 2.622 1.192 1.00 0.00 C +ATOM 38 C TYR A 3 -4.041 1.158 1.165 1.00 0.00 C +ATOM 39 O TYR A 3 -3.239 0.261 1.408 1.00 0.00 O +ATOM 40 CB TYR A 3 -3.976 3.276 2.532 1.00 0.00 C +ATOM 41 CG TYR A 3 -2.857 3.224 3.553 1.00 0.00 C +ATOM 42 CD1 TYR A 3 -2.508 2.017 4.182 1.00 0.00 C +ATOM 43 CD2 TYR A 3 -2.132 4.392 3.837 1.00 0.00 C +ATOM 44 CE1 TYR A 3 -1.412 1.972 5.068 1.00 0.00 C +ATOM 45 CE2 TYR A 3 -1.039 4.360 4.722 1.00 0.00 C +ATOM 46 CZ TYR A 3 -0.662 3.140 5.323 1.00 0.00 C +ATOM 47 OH TYR A 3 0.439 3.086 6.118 1.00 0.00 O +ATOM 48 H TYR A 3 -4.628 4.258 0.296 1.00 0.00 H +ATOM 49 HA TYR A 3 -2.507 2.635 1.105 1.00 0.00 H +ATOM 50 HB2 TYR A 3 -4.228 4.303 2.352 1.00 0.00 H +ATOM 51 HB3 TYR A 3 -4.863 2.793 2.949 1.00 0.00 H +ATOM 52 HD1 TYR A 3 -3.069 1.122 3.968 1.00 0.00 H +ATOM 53 HD2 TYR A 3 -2.417 5.309 3.354 1.00 0.00 H +ATOM 54 HE1 TYR A 3 -1.123 1.050 5.550 1.00 0.00 H +ATOM 55 HE2 TYR A 3 -0.485 5.260 4.942 1.00 0.00 H +ATOM 56 HH TYR A 3 0.954 3.895 6.046 1.00 0.00 H +ATOM 57 N ILE A 4 -5.313 0.913 0.819 1.00 0.00 N +ATOM 58 CA ILE A 4 -5.875 -0.433 0.687 1.00 0.00 C +ATOM 59 C ILE A 4 -5.150 -1.213 -0.419 1.00 0.00 C +ATOM 60 O ILE A 4 -4.782 -2.367 -0.218 1.00 0.00 O +ATOM 61 CB ILE A 4 -7.404 -0.376 0.441 1.00 0.00 C +ATOM 62 CG1 ILE A 4 -8.133 0.538 1.461 1.00 0.00 C +ATOM 63 CG2 ILE A 4 -7.996 -1.794 0.489 1.00 0.00 C +ATOM 64 CD1 ILE A 4 -8.579 1.867 0.834 1.00 0.00 C +ATOM 65 H ILE A 4 -5.909 1.712 0.664 1.00 0.00 H +ATOM 66 HA ILE A 4 -5.703 -0.963 1.625 1.00 0.00 H +ATOM 67 HB ILE A 4 -7.582 0.014 -0.564 1.00 0.00 H +ATOM 68 HG12 ILE A 4 -8.999 0.022 1.830 1.00 0.00 H +ATOM 69 HG13 ILE A 4 -7.484 0.744 2.314 1.00 0.00 H +ATOM 70 HG21 ILE A 4 -7.610 -2.395 -0.333 1.00 0.00 H +ATOM 71 HG22 ILE A 4 -7.734 -2.278 1.431 1.00 0.00 H +ATOM 72 HG23 ILE A 4 -9.082 -1.752 0.406 1.00 0.00 H +ATOM 73 HD11 ILE A 4 -7.781 2.293 0.225 1.00 0.00 H +ATOM 74 HD12 ILE A 4 -9.456 1.698 0.209 1.00 0.00 H +ATOM 75 HD13 ILE A 4 -8.839 2.575 1.623 1.00 0.00 H +ATOM 76 N GLN A 5 -4.916 -0.587 -1.582 1.00 0.00 N +ATOM 77 CA GLN A 5 -4.177 -1.207 -2.684 1.00 0.00 C +ATOM 78 C GLN A 5 -2.695 -1.416 -2.351 1.00 0.00 C +ATOM 79 O GLN A 5 -2.131 -2.431 -2.746 1.00 0.00 O +ATOM 80 CB GLN A 5 -4.323 -0.379 -3.966 1.00 0.00 C +ATOM 81 CG GLN A 5 -5.742 -0.393 -4.567 1.00 0.00 C +ATOM 82 CD GLN A 5 -6.425 0.974 -4.548 1.00 0.00 C +ATOM 83 OE1 GLN A 5 -6.408 1.714 -5.514 1.00 0.00 O +ATOM 84 NE2 GLN A 5 -7.071 1.361 -3.464 1.00 0.00 N +ATOM 85 H GLN A 5 -5.081 0.408 -1.625 1.00 0.00 H +ATOM 86 HA GLN A 5 -4.585 -2.193 -2.872 1.00 0.00 H +ATOM 87 HB2 GLN A 5 -4.062 0.637 -3.742 1.00 0.00 H +ATOM 88 HB3 GLN A 5 -3.636 -0.777 -4.715 1.00 0.00 H +ATOM 89 HG2 GLN A 5 -5.677 -0.726 -5.585 1.00 0.00 H +ATOM 90 HG3 GLN A 5 -6.369 -1.116 -4.046 1.00 0.00 H +ATOM 91 HE21 GLN A 5 -7.192 0.797 -2.646 1.00 0.00 H +ATOM 92 HE22 GLN A 5 -7.525 2.252 -3.586 1.00 0.00 H +ATOM 93 N TRP A 6 -2.077 -0.504 -1.595 1.00 0.00 N +ATOM 94 CA TRP A 6 -0.720 -0.701 -1.084 1.00 0.00 C +ATOM 95 C TRP A 6 -0.636 -1.874 -0.089 1.00 0.00 C +ATOM 96 O TRP A 6 0.249 -2.721 -0.206 1.00 0.00 O +ATOM 97 CB TRP A 6 -0.212 0.612 -0.482 1.00 0.00 C +ATOM 98 CG TRP A 6 1.182 0.533 0.054 1.00 0.00 C +ATOM 99 CD1 TRP A 6 2.314 0.521 -0.685 1.00 0.00 C +ATOM 100 CD2 TRP A 6 1.608 0.404 1.443 1.00 0.00 C +ATOM 101 NE1 TRP A 6 3.408 0.380 0.147 1.00 0.00 N +ATOM 102 CE2 TRP A 6 3.031 0.317 1.470 1.00 0.00 C +ATOM 103 CE3 TRP A 6 0.937 0.364 2.685 1.00 0.00 C +ATOM 104 CZ2 TRP A 6 3.755 0.214 2.665 1.00 0.00 C +ATOM 105 CZ3 TRP A 6 1.654 0.247 3.892 1.00 0.00 C +ATOM 106 CH2 TRP A 6 3.057 0.179 3.883 1.00 0.00 C +ATOM 107 H TRP A 6 -2.581 0.349 -1.361 1.00 0.00 H +ATOM 108 HA TRP A 6 -0.070 -0.958 -1.922 1.00 0.00 H +ATOM 109 HB2 TRP A 6 -0.239 1.366 -1.245 1.00 0.00 H +ATOM 110 HB3 TRP A 6 -0.876 0.919 0.324 1.00 0.00 H +ATOM 111 HD1 TRP A 6 2.354 0.591 -1.764 1.00 0.00 H +ATOM 112 HE1 TRP A 6 4.380 0.346 -0.171 1.00 0.00 H +ATOM 113 HE3 TRP A 6 -0.140 0.441 2.699 1.00 0.00 H +ATOM 114 HZ2 TRP A 6 4.832 0.162 2.632 1.00 0.00 H +ATOM 115 HZ3 TRP A 6 1.123 0.229 4.833 1.00 0.00 H +ATOM 116 HH2 TRP A 6 3.599 0.110 4.815 1.00 0.00 H +ATOM 117 N LEU A 7 -1.578 -1.972 0.862 1.00 0.00 N +ATOM 118 CA LEU A 7 -1.635 -3.091 1.807 1.00 0.00 C +ATOM 119 C LEU A 7 -1.938 -4.442 1.140 1.00 0.00 C +ATOM 120 O LEU A 7 -1.409 -5.445 1.613 1.00 0.00 O +ATOM 121 CB LEU A 7 -2.649 -2.806 2.929 1.00 0.00 C +ATOM 122 CG LEU A 7 -2.162 -1.784 3.974 1.00 0.00 C +ATOM 123 CD1 LEU A 7 -3.325 -1.421 4.903 1.00 0.00 C +ATOM 124 CD2 LEU A 7 -1.020 -2.318 4.848 1.00 0.00 C +ATOM 125 H LEU A 7 -2.263 -1.224 0.945 1.00 0.00 H +ATOM 126 HA LEU A 7 -0.647 -3.201 2.250 1.00 0.00 H +ATOM 127 HB2 LEU A 7 -3.548 -2.428 2.482 1.00 0.00 H +ATOM 128 HB3 LEU A 7 -2.870 -3.739 3.450 1.00 0.00 H +ATOM 129 HG LEU A 7 -1.826 -0.882 3.469 1.00 0.00 H +ATOM 130 HD11 LEU A 7 -4.144 -0.999 4.320 1.00 0.00 H +ATOM 131 HD12 LEU A 7 -3.677 -2.310 5.426 1.00 0.00 H +ATOM 132 HD13 LEU A 7 -2.996 -0.686 5.638 1.00 0.00 H +ATOM 133 HD21 LEU A 7 -1.350 -3.197 5.402 1.00 0.00 H +ATOM 134 HD22 LEU A 7 -0.162 -2.584 4.235 1.00 0.00 H +ATOM 135 HD23 LEU A 7 -0.705 -1.549 5.553 1.00 0.00 H +ATOM 136 N LYS A 8 -2.727 -4.482 0.050 1.00 0.00 N +ATOM 137 CA LYS A 8 -3.029 -5.712 -0.710 1.00 0.00 C +ATOM 138 C LYS A 8 -1.781 -6.486 -1.146 1.00 0.00 C +ATOM 139 O LYS A 8 -1.824 -7.713 -1.157 1.00 0.00 O +ATOM 140 CB LYS A 8 -3.877 -5.403 -1.959 1.00 0.00 C +ATOM 141 CG LYS A 8 -5.382 -5.303 -1.680 1.00 0.00 C +ATOM 142 CD LYS A 8 -6.121 -4.820 -2.936 1.00 0.00 C +ATOM 143 CE LYS A 8 -7.604 -4.569 -2.640 1.00 0.00 C +ATOM 144 NZ LYS A 8 -8.094 -3.337 -3.303 1.00 0.00 N +ATOM 145 H LYS A 8 -3.183 -3.613 -0.220 1.00 0.00 H +ATOM 146 HA LYS A 8 -3.587 -6.394 -0.066 1.00 0.00 H +ATOM 147 HB2 LYS A 8 -3.547 -4.468 -2.369 1.00 0.00 H +ATOM 148 HB3 LYS A 8 -3.735 -6.199 -2.691 1.00 0.00 H +ATOM 149 HG2 LYS A 8 -5.755 -6.268 -1.398 1.00 0.00 H +ATOM 150 HG3 LYS A 8 -5.561 -4.609 -0.862 1.00 0.00 H +ATOM 151 HD2 LYS A 8 -5.672 -3.907 -3.278 1.00 0.00 H +ATOM 152 HD3 LYS A 8 -6.030 -5.569 -3.726 1.00 0.00 H +ATOM 153 HE2 LYS A 8 -8.176 -5.405 -2.994 1.00 0.00 H +ATOM 154 HE3 LYS A 8 -7.739 -4.483 -1.558 1.00 0.00 H +ATOM 155 HZ1 LYS A 8 -7.671 -2.528 -2.870 1.00 0.00 H +ATOM 156 HZ2 LYS A 8 -7.852 -3.348 -4.286 1.00 0.00 H +ATOM 157 HZ3 LYS A 8 -9.100 -3.265 -3.217 1.00 0.00 H +ATOM 158 N ASP A 9 -0.706 -5.789 -1.524 1.00 0.00 N +ATOM 159 CA ASP A 9 0.553 -6.406 -1.949 1.00 0.00 C +ATOM 160 C ASP A 9 1.294 -7.047 -0.758 1.00 0.00 C +ATOM 161 O ASP A 9 1.606 -8.237 -0.786 1.00 0.00 O +ATOM 162 CB ASP A 9 1.394 -5.344 -2.675 1.00 0.00 C +ATOM 163 CG ASP A 9 2.486 -5.969 -3.549 1.00 0.00 C +ATOM 164 OD1 ASP A 9 3.523 -6.378 -2.986 1.00 0.00 O +ATOM 165 OD2 ASP A 9 2.263 -6.015 -4.778 1.00 0.00 O +ATOM 166 H ASP A 9 -0.768 -4.780 -1.507 1.00 0.00 H +ATOM 167 HA ASP A 9 0.326 -7.201 -2.662 1.00 0.00 H +ATOM 168 HB2 ASP A 9 0.747 -4.757 -3.298 1.00 0.00 H +ATOM 169 HB3 ASP A 9 1.836 -4.661 -1.952 1.00 0.00 H +ATOM 170 N GLY A 10 1.509 -6.275 0.317 1.00 0.00 N +ATOM 171 CA GLY A 10 2.156 -6.749 1.545 1.00 0.00 C +ATOM 172 C GLY A 10 2.683 -5.650 2.474 1.00 0.00 C +ATOM 173 O GLY A 10 3.675 -5.864 3.179 1.00 0.00 O +ATOM 174 H GLY A 10 1.256 -5.305 0.206 1.00 0.00 H +ATOM 175 HA2 GLY A 10 1.435 -7.344 2.107 1.00 0.00 H +ATOM 176 HA3 GLY A 10 2.991 -7.399 1.279 1.00 0.00 H +ATOM 177 N GLY A 11 2.059 -4.463 2.477 1.00 0.00 N +ATOM 178 CA GLY A 11 2.499 -3.312 3.269 1.00 0.00 C +ATOM 179 C GLY A 11 3.991 -2.994 3.056 1.00 0.00 C +ATOM 180 O GLY A 11 4.434 -2.979 1.903 1.00 0.00 O +ATOM 181 H GLY A 11 1.253 -4.352 1.879 1.00 0.00 H +ATOM 182 HA2 GLY A 11 1.923 -2.437 2.974 1.00 0.00 H +ATOM 183 HA3 GLY A 11 2.296 -3.527 4.316 1.00 0.00 H +ATOM 184 N PRO A 12 4.793 -2.762 4.118 1.00 0.00 N +ATOM 185 CA PRO A 12 6.229 -2.487 3.995 1.00 0.00 C +ATOM 186 C PRO A 12 7.028 -3.585 3.274 1.00 0.00 C +ATOM 187 O PRO A 12 8.076 -3.294 2.700 1.00 0.00 O +ATOM 188 CB PRO A 12 6.752 -2.306 5.426 1.00 0.00 C +ATOM 189 CG PRO A 12 5.507 -2.017 6.260 1.00 0.00 C +ATOM 190 CD PRO A 12 4.401 -2.765 5.520 1.00 0.00 C +ATOM 191 HA PRO A 12 6.358 -1.552 3.450 1.00 0.00 H +ATOM 192 HB2 PRO A 12 7.237 -3.200 5.768 1.00 0.00 H +ATOM 193 HB3 PRO A 12 7.469 -1.487 5.487 1.00 0.00 H +ATOM 194 HG2 PRO A 12 5.620 -2.390 7.260 1.00 0.00 H +ATOM 195 HG3 PRO A 12 5.297 -0.947 6.247 1.00 0.00 H +ATOM 196 HD2 PRO A 12 4.322 -3.771 5.884 1.00 0.00 H +ATOM 197 HD3 PRO A 12 3.446 -2.266 5.679 1.00 0.00 H +ATOM 198 N SER A 13 6.542 -4.835 3.272 1.00 0.00 N +ATOM 199 CA SER A 13 7.225 -5.960 2.613 1.00 0.00 C +ATOM 200 C SER A 13 7.090 -5.923 1.084 1.00 0.00 C +ATOM 201 O SER A 13 7.812 -6.639 0.397 1.00 0.00 O +ATOM 202 CB SER A 13 6.715 -7.304 3.143 1.00 0.00 C +ATOM 203 OG SER A 13 6.868 -7.384 4.548 1.00 0.00 O +ATOM 204 H SER A 13 5.615 -5.000 3.652 1.00 0.00 H +ATOM 205 HA SER A 13 8.289 -5.899 2.846 1.00 0.00 H +ATOM 206 HB2 SER A 13 5.676 -7.407 2.896 1.00 0.00 H +ATOM 207 HB3 SER A 13 7.295 -8.107 2.686 1.00 0.00 H +ATOM 208 HG SER A 13 6.175 -6.863 4.961 1.00 0.00 H +ATOM 209 N SER A 14 6.215 -5.060 0.547 1.00 0.00 N +ATOM 210 CA SER A 14 5.985 -4.853 -0.893 1.00 0.00 C +ATOM 211 C SER A 14 7.162 -4.169 -1.609 1.00 0.00 C +ATOM 212 O SER A 14 7.144 -4.019 -2.829 1.00 0.00 O +ATOM 213 CB SER A 14 4.753 -3.963 -1.131 1.00 0.00 C +ATOM 214 OG SER A 14 3.717 -4.170 -0.195 1.00 0.00 O +ATOM 215 H SER A 14 5.645 -4.521 1.187 1.00 0.00 H +ATOM 216 HA SER A 14 5.802 -5.822 -1.361 1.00 0.00 H +ATOM 217 HB2 SER A 14 5.060 -2.936 -1.075 1.00 0.00 H +ATOM 218 HB3 SER A 14 4.378 -4.145 -2.137 1.00 0.00 H +ATOM 219 HG SER A 14 3.940 -3.652 0.618 1.00 0.00 H +ATOM 220 N GLY A 15 8.149 -3.648 -0.867 1.00 0.00 N +ATOM 221 CA GLY A 15 9.308 -2.922 -1.397 1.00 0.00 C +ATOM 222 C GLY A 15 9.025 -1.456 -1.756 1.00 0.00 C +ATOM 223 O GLY A 15 9.889 -0.604 -1.556 1.00 0.00 O +ATOM 224 H GLY A 15 8.079 -3.767 0.134 1.00 0.00 H +ATOM 225 HA2 GLY A 15 10.105 -2.947 -0.656 1.00 0.00 H +ATOM 226 HA3 GLY A 15 9.666 -3.429 -2.292 1.00 0.00 H +ATOM 227 N ARG A 16 7.825 -1.141 -2.266 1.00 0.00 N +ATOM 228 CA ARG A 16 7.373 0.232 -2.551 1.00 0.00 C +ATOM 229 C ARG A 16 6.899 0.948 -1.262 1.00 0.00 C +ATOM 230 O ARG A 16 6.146 0.343 -0.492 1.00 0.00 O +ATOM 231 CB ARG A 16 6.251 0.175 -3.606 1.00 0.00 C +ATOM 232 CG ARG A 16 5.730 1.567 -4.005 1.00 0.00 C +ATOM 233 CD ARG A 16 4.469 1.519 -4.875 1.00 0.00 C +ATOM 234 NE ARG A 16 4.763 1.758 -6.300 1.00 0.00 N +ATOM 235 CZ ARG A 16 3.916 2.227 -7.208 1.00 0.00 C +ATOM 236 NH1 ARG A 16 2.658 2.472 -6.918 1.00 0.00 N +ATOM 237 NH2 ARG A 16 4.320 2.468 -8.433 1.00 0.00 N +ATOM 238 H ARG A 16 7.201 -1.921 -2.440 1.00 0.00 H +ATOM 239 HA ARG A 16 8.223 0.770 -2.970 1.00 0.00 H +ATOM 240 HB2 ARG A 16 6.631 -0.312 -4.483 1.00 0.00 H +ATOM 241 HB3 ARG A 16 5.424 -0.414 -3.204 1.00 0.00 H +ATOM 242 HG2 ARG A 16 5.505 2.115 -3.110 1.00 0.00 H +ATOM 243 HG3 ARG A 16 6.516 2.126 -4.513 1.00 0.00 H +ATOM 244 HD2 ARG A 16 4.016 0.551 -4.774 1.00 0.00 H +ATOM 245 HD3 ARG A 16 3.800 2.303 -4.511 1.00 0.00 H +ATOM 246 HE ARG A 16 5.706 1.581 -6.603 1.00 0.00 H +ATOM 247 HH11 ARG A 16 2.347 2.274 -5.983 1.00 0.00 H +ATOM 248 HH12 ARG A 16 2.019 2.829 -7.604 1.00 0.00 H +ATOM 249 HH21 ARG A 16 5.274 2.298 -8.697 1.00 0.00 H +ATOM 250 HH22 ARG A 16 3.671 2.823 -9.112 1.00 0.00 H +ATOM 251 N PRO A 17 7.238 2.239 -1.049 1.00 0.00 N +ATOM 252 CA PRO A 17 6.752 3.031 0.091 1.00 0.00 C +ATOM 253 C PRO A 17 5.220 3.248 0.078 1.00 0.00 C +ATOM 254 O PRO A 17 4.591 3.120 -0.974 1.00 0.00 O +ATOM 255 CB PRO A 17 7.502 4.368 0.005 1.00 0.00 C +ATOM 256 CG PRO A 17 7.850 4.499 -1.475 1.00 0.00 C +ATOM 257 CD PRO A 17 8.119 3.053 -1.878 1.00 0.00 C +ATOM 258 HA PRO A 17 7.029 2.523 1.014 1.00 0.00 H +ATOM 259 HB2 PRO A 17 6.875 5.179 0.323 1.00 0.00 H +ATOM 260 HB3 PRO A 17 8.421 4.310 0.590 1.00 0.00 H +ATOM 261 HG2 PRO A 17 7.030 4.911 -2.031 1.00 0.00 H +ATOM 262 HG3 PRO A 17 8.722 5.135 -1.635 1.00 0.00 H +ATOM 263 HD2 PRO A 17 7.895 2.907 -2.917 1.00 0.00 H +ATOM 264 HD3 PRO A 17 9.157 2.796 -1.662 1.00 0.00 H +ATOM 265 N PRO A 18 4.609 3.598 1.230 1.00 0.00 N +ATOM 266 CA PRO A 18 3.169 3.836 1.328 1.00 0.00 C +ATOM 267 C PRO A 18 2.742 5.156 0.656 1.00 0.00 C +ATOM 268 O PRO A 18 3.546 6.084 0.554 1.00 0.00 O +ATOM 269 CB PRO A 18 2.862 3.850 2.829 1.00 0.00 C +ATOM 270 CG PRO A 18 4.166 4.332 3.459 1.00 0.00 C +ATOM 271 CD PRO A 18 5.241 3.765 2.532 1.00 0.00 C +ATOM 272 HA PRO A 18 2.644 3.006 0.861 1.00 0.00 H +ATOM 273 HB2 PRO A 18 2.058 4.525 3.049 1.00 0.00 H +ATOM 274 HB3 PRO A 18 2.652 2.837 3.167 1.00 0.00 H +ATOM 275 HG2 PRO A 18 4.207 5.404 3.483 1.00 0.00 H +ATOM 276 HG3 PRO A 18 4.282 3.964 4.478 1.00 0.00 H +ATOM 277 HD2 PRO A 18 6.067 4.446 2.460 1.00 0.00 H +ATOM 278 HD3 PRO A 18 5.572 2.793 2.901 1.00 0.00 H +ATOM 279 N PRO A 19 1.469 5.271 0.226 1.00 0.00 N +ATOM 280 CA PRO A 19 0.934 6.477 -0.411 1.00 0.00 C +ATOM 281 C PRO A 19 0.511 7.576 0.577 1.00 0.00 C +ATOM 282 O PRO A 19 0.337 8.718 0.154 1.00 0.00 O +ATOM 283 CB PRO A 19 -0.292 5.993 -1.191 1.00 0.00 C +ATOM 284 CG PRO A 19 -0.802 4.823 -0.346 1.00 0.00 C +ATOM 285 CD PRO A 19 0.482 4.200 0.195 1.00 0.00 C +ATOM 286 HA PRO A 19 1.665 6.898 -1.103 1.00 0.00 H +ATOM 287 HB2 PRO A 19 -1.032 6.767 -1.264 1.00 0.00 H +ATOM 288 HB3 PRO A 19 0.019 5.632 -2.172 1.00 0.00 H +ATOM 289 HG2 PRO A 19 -1.428 5.170 0.453 1.00 0.00 H +ATOM 290 HG3 PRO A 19 -1.362 4.109 -0.947 1.00 0.00 H +ATOM 291 HD2 PRO A 19 0.321 3.813 1.183 1.00 0.00 H +ATOM 292 HD3 PRO A 19 0.825 3.424 -0.490 1.00 0.00 H +ATOM 293 N SER A 20 0.305 7.237 1.858 1.00 0.00 N +ATOM 294 CA SER A 20 -0.121 8.153 2.922 1.00 0.00 C +ATOM 295 C SER A 20 0.633 7.935 4.225 1.00 0.00 C +ATOM 296 O SER A 20 1.271 6.865 4.365 1.00 0.00 O +ATOM 297 CB SER A 20 -1.606 7.996 3.229 1.00 0.00 C +ATOM 298 OG SER A 20 -1.979 9.152 3.934 1.00 0.00 O +ATOM 299 OXT SER A 20 0.418 8.818 5.086 1.00 0.00 O +ATOM 300 H SER A 20 0.556 6.306 2.160 1.00 0.00 H +ATOM 301 HA SER A 20 0.065 9.179 2.607 1.00 0.00 H +ATOM 302 HB2 SER A 20 -2.169 7.916 2.319 1.00 0.00 H +ATOM 303 HB3 SER A 20 -1.742 7.145 3.893 1.00 0.00 H +ATOM 304 HG SER A 20 -1.222 9.307 4.547 1.00 0.00 H +TER 305 SER A 20 +ENDMDL +MODEL 38 +ATOM 1 N ASN A 1 -6.430 7.268 -0.166 1.00 0.00 N +ATOM 2 CA ASN A 1 -7.338 6.541 -1.083 1.00 0.00 C +ATOM 3 C ASN A 1 -6.741 5.186 -1.487 1.00 0.00 C +ATOM 4 O ASN A 1 -7.302 4.173 -1.103 1.00 0.00 O +ATOM 5 CB ASN A 1 -7.816 7.420 -2.263 1.00 0.00 C +ATOM 6 CG ASN A 1 -6.722 7.736 -3.278 1.00 0.00 C +ATOM 7 OD1 ASN A 1 -6.455 6.960 -4.175 1.00 0.00 O +ATOM 8 ND2 ASN A 1 -5.989 8.824 -3.136 1.00 0.00 N +ATOM 9 H1 ASN A 1 -6.139 6.658 0.586 1.00 0.00 H +ATOM 10 H2 ASN A 1 -5.611 7.592 -0.664 1.00 0.00 H +ATOM 11 H3 ASN A 1 -6.908 8.064 0.234 1.00 0.00 H +ATOM 12 HA ASN A 1 -8.233 6.285 -0.514 1.00 0.00 H +ATOM 13 HB2 ASN A 1 -8.609 6.904 -2.770 1.00 0.00 H +ATOM 14 HB3 ASN A 1 -8.228 8.355 -1.876 1.00 0.00 H +ATOM 15 HD21 ASN A 1 -6.187 9.584 -2.506 1.00 0.00 H +ATOM 16 HD22 ASN A 1 -5.321 8.935 -3.885 1.00 0.00 H +ATOM 17 N LEU A 2 -5.581 5.139 -2.154 1.00 0.00 N +ATOM 18 CA LEU A 2 -4.935 3.924 -2.679 1.00 0.00 C +ATOM 19 C LEU A 2 -4.238 3.028 -1.631 1.00 0.00 C +ATOM 20 O LEU A 2 -3.619 2.024 -1.985 1.00 0.00 O +ATOM 21 CB LEU A 2 -3.974 4.371 -3.806 1.00 0.00 C +ATOM 22 CG LEU A 2 -4.642 4.256 -5.191 1.00 0.00 C +ATOM 23 CD1 LEU A 2 -3.992 5.215 -6.190 1.00 0.00 C +ATOM 24 CD2 LEU A 2 -4.527 2.822 -5.718 1.00 0.00 C +ATOM 25 H LEU A 2 -5.206 6.000 -2.526 1.00 0.00 H +ATOM 26 HA LEU A 2 -5.713 3.296 -3.117 1.00 0.00 H +ATOM 27 HB2 LEU A 2 -3.690 5.392 -3.639 1.00 0.00 H +ATOM 28 HB3 LEU A 2 -3.065 3.769 -3.800 1.00 0.00 H +ATOM 29 HG LEU A 2 -5.698 4.515 -5.115 1.00 0.00 H +ATOM 30 HD11 LEU A 2 -4.204 6.242 -5.892 1.00 0.00 H +ATOM 31 HD12 LEU A 2 -2.915 5.058 -6.224 1.00 0.00 H +ATOM 32 HD13 LEU A 2 -4.414 5.054 -7.182 1.00 0.00 H +ATOM 33 HD21 LEU A 2 -3.478 2.549 -5.839 1.00 0.00 H +ATOM 34 HD22 LEU A 2 -4.998 2.131 -5.020 1.00 0.00 H +ATOM 35 HD23 LEU A 2 -5.031 2.745 -6.681 1.00 0.00 H +ATOM 36 N TYR A 3 -4.360 3.359 -0.340 1.00 0.00 N +ATOM 37 CA TYR A 3 -3.724 2.648 0.772 1.00 0.00 C +ATOM 38 C TYR A 3 -4.137 1.169 0.856 1.00 0.00 C +ATOM 39 O TYR A 3 -3.317 0.329 1.227 1.00 0.00 O +ATOM 40 CB TYR A 3 -4.029 3.379 2.090 1.00 0.00 C +ATOM 41 CG TYR A 3 -2.887 3.312 3.082 1.00 0.00 C +ATOM 42 CD1 TYR A 3 -1.861 4.274 3.013 1.00 0.00 C +ATOM 43 CD2 TYR A 3 -2.830 2.295 4.054 1.00 0.00 C +ATOM 44 CE1 TYR A 3 -0.765 4.215 3.892 1.00 0.00 C +ATOM 45 CE2 TYR A 3 -1.745 2.242 4.951 1.00 0.00 C +ATOM 46 CZ TYR A 3 -0.706 3.197 4.866 1.00 0.00 C +ATOM 47 OH TYR A 3 0.351 3.124 5.717 1.00 0.00 O +ATOM 48 H TYR A 3 -4.937 4.156 -0.129 1.00 0.00 H +ATOM 49 HA TYR A 3 -2.646 2.676 0.609 1.00 0.00 H +ATOM 50 HB2 TYR A 3 -4.231 4.410 1.870 1.00 0.00 H +ATOM 51 HB3 TYR A 3 -4.934 2.967 2.541 1.00 0.00 H +ATOM 52 HD1 TYR A 3 -1.912 5.069 2.285 1.00 0.00 H +ATOM 53 HD2 TYR A 3 -3.617 1.558 4.111 1.00 0.00 H +ATOM 54 HE1 TYR A 3 0.013 4.960 3.818 1.00 0.00 H +ATOM 55 HE2 TYR A 3 -1.685 1.473 5.706 1.00 0.00 H +ATOM 56 HH TYR A 3 1.074 3.686 5.430 1.00 0.00 H +ATOM 57 N ILE A 4 -5.379 0.841 0.456 1.00 0.00 N +ATOM 58 CA ILE A 4 -5.867 -0.543 0.382 1.00 0.00 C +ATOM 59 C ILE A 4 -4.972 -1.370 -0.545 1.00 0.00 C +ATOM 60 O ILE A 4 -4.513 -2.431 -0.139 1.00 0.00 O +ATOM 61 CB ILE A 4 -7.351 -0.631 -0.056 1.00 0.00 C +ATOM 62 CG1 ILE A 4 -8.267 0.276 0.803 1.00 0.00 C +ATOM 63 CG2 ILE A 4 -7.848 -2.085 0.043 1.00 0.00 C +ATOM 64 CD1 ILE A 4 -8.626 1.595 0.106 1.00 0.00 C +ATOM 65 H ILE A 4 -5.992 1.589 0.165 1.00 0.00 H +ATOM 66 HA ILE A 4 -5.785 -0.978 1.379 1.00 0.00 H +ATOM 67 HB ILE A 4 -7.431 -0.341 -1.106 1.00 0.00 H +ATOM 68 HG12 ILE A 4 -9.174 -0.257 1.016 1.00 0.00 H +ATOM 69 HG13 ILE A 4 -7.782 0.492 1.756 1.00 0.00 H +ATOM 70 HG21 ILE A 4 -7.271 -2.734 -0.616 1.00 0.00 H +ATOM 71 HG22 ILE A 4 -7.761 -2.445 1.069 1.00 0.00 H +ATOM 72 HG23 ILE A 4 -8.892 -2.140 -0.270 1.00 0.00 H +ATOM 73 HD11 ILE A 4 -7.974 1.772 -0.749 1.00 0.00 H +ATOM 74 HD12 ILE A 4 -9.658 1.551 -0.248 1.00 0.00 H +ATOM 75 HD13 ILE A 4 -8.528 2.422 0.809 1.00 0.00 H +ATOM 76 N GLN A 5 -4.692 -0.874 -1.757 1.00 0.00 N +ATOM 77 CA GLN A 5 -3.867 -1.563 -2.751 1.00 0.00 C +ATOM 78 C GLN A 5 -2.445 -1.809 -2.222 1.00 0.00 C +ATOM 79 O GLN A 5 -1.929 -2.921 -2.330 1.00 0.00 O +ATOM 80 CB GLN A 5 -3.847 -0.743 -4.058 1.00 0.00 C +ATOM 81 CG GLN A 5 -3.727 -1.623 -5.311 1.00 0.00 C +ATOM 82 CD GLN A 5 -5.084 -2.186 -5.734 1.00 0.00 C +ATOM 83 OE1 GLN A 5 -5.698 -2.984 -5.042 1.00 0.00 O +ATOM 84 NE2 GLN A 5 -5.615 -1.776 -6.871 1.00 0.00 N +ATOM 85 H GLN A 5 -5.036 0.048 -1.986 1.00 0.00 H +ATOM 86 HA GLN A 5 -4.323 -2.535 -2.945 1.00 0.00 H +ATOM 87 HB2 GLN A 5 -4.757 -0.178 -4.122 1.00 0.00 H +ATOM 88 HB3 GLN A 5 -3.011 -0.043 -4.034 1.00 0.00 H +ATOM 89 HG2 GLN A 5 -3.329 -1.033 -6.114 1.00 0.00 H +ATOM 90 HG3 GLN A 5 -3.035 -2.447 -5.128 1.00 0.00 H +ATOM 91 HE21 GLN A 5 -5.153 -1.128 -7.485 1.00 0.00 H +ATOM 92 HE22 GLN A 5 -6.510 -2.185 -7.079 1.00 0.00 H +ATOM 93 N TRP A 6 -1.839 -0.788 -1.599 1.00 0.00 N +ATOM 94 CA TRP A 6 -0.525 -0.892 -0.956 1.00 0.00 C +ATOM 95 C TRP A 6 -0.505 -1.946 0.161 1.00 0.00 C +ATOM 96 O TRP A 6 0.383 -2.798 0.180 1.00 0.00 O +ATOM 97 CB TRP A 6 -0.095 0.486 -0.442 1.00 0.00 C +ATOM 98 CG TRP A 6 1.244 0.517 0.231 1.00 0.00 C +ATOM 99 CD1 TRP A 6 2.442 0.440 -0.391 1.00 0.00 C +ATOM 100 CD2 TRP A 6 1.543 0.573 1.661 1.00 0.00 C +ATOM 101 NE1 TRP A 6 3.455 0.482 0.546 1.00 0.00 N +ATOM 102 CE2 TRP A 6 2.959 0.563 1.826 1.00 0.00 C +ATOM 103 CE3 TRP A 6 0.765 0.602 2.836 1.00 0.00 C +ATOM 104 CZ2 TRP A 6 3.578 0.610 3.082 1.00 0.00 C +ATOM 105 CZ3 TRP A 6 1.375 0.609 4.105 1.00 0.00 C +ATOM 106 CH2 TRP A 6 2.774 0.632 4.232 1.00 0.00 C +ATOM 107 H TRP A 6 -2.350 0.086 -1.539 1.00 0.00 H +ATOM 108 HA TRP A 6 0.198 -1.218 -1.705 1.00 0.00 H +ATOM 109 HB2 TRP A 6 -0.064 1.159 -1.277 1.00 0.00 H +ATOM 110 HB3 TRP A 6 -0.841 0.856 0.262 1.00 0.00 H +ATOM 111 HD1 TRP A 6 2.583 0.342 -1.457 1.00 0.00 H +ATOM 112 HE1 TRP A 6 4.453 0.438 0.329 1.00 0.00 H +ATOM 113 HE3 TRP A 6 -0.312 0.606 2.755 1.00 0.00 H +ATOM 114 HZ2 TRP A 6 4.655 0.607 3.156 1.00 0.00 H +ATOM 115 HZ3 TRP A 6 0.762 0.609 4.996 1.00 0.00 H +ATOM 116 HH2 TRP A 6 3.223 0.656 5.215 1.00 0.00 H +ATOM 117 N LEU A 7 -1.495 -1.933 1.067 1.00 0.00 N +ATOM 118 CA LEU A 7 -1.631 -2.979 2.085 1.00 0.00 C +ATOM 119 C LEU A 7 -1.880 -4.365 1.470 1.00 0.00 C +ATOM 120 O LEU A 7 -1.286 -5.334 1.938 1.00 0.00 O +ATOM 121 CB LEU A 7 -2.736 -2.618 3.092 1.00 0.00 C +ATOM 122 CG LEU A 7 -2.373 -1.484 4.072 1.00 0.00 C +ATOM 123 CD1 LEU A 7 -3.572 -1.205 4.981 1.00 0.00 C +ATOM 124 CD2 LEU A 7 -1.173 -1.831 4.963 1.00 0.00 C +ATOM 125 H LEU A 7 -2.195 -1.196 1.019 1.00 0.00 H +ATOM 126 HA LEU A 7 -0.684 -3.061 2.616 1.00 0.00 H +ATOM 127 HB2 LEU A 7 -3.605 -2.317 2.540 1.00 0.00 H +ATOM 128 HB3 LEU A 7 -2.968 -3.507 3.680 1.00 0.00 H +ATOM 129 HG LEU A 7 -2.145 -0.578 3.513 1.00 0.00 H +ATOM 130 HD11 LEU A 7 -4.432 -0.914 4.377 1.00 0.00 H +ATOM 131 HD12 LEU A 7 -3.821 -2.097 5.558 1.00 0.00 H +ATOM 132 HD13 LEU A 7 -3.338 -0.395 5.671 1.00 0.00 H +ATOM 133 HD21 LEU A 7 -1.337 -2.790 5.456 1.00 0.00 H +ATOM 134 HD22 LEU A 7 -0.263 -1.882 4.367 1.00 0.00 H +ATOM 135 HD23 LEU A 7 -1.035 -1.059 5.719 1.00 0.00 H +ATOM 136 N LYS A 8 -2.706 -4.471 0.416 1.00 0.00 N +ATOM 137 CA LYS A 8 -3.040 -5.736 -0.258 1.00 0.00 C +ATOM 138 C LYS A 8 -1.805 -6.466 -0.789 1.00 0.00 C +ATOM 139 O LYS A 8 -1.742 -7.687 -0.688 1.00 0.00 O +ATOM 140 CB LYS A 8 -4.034 -5.485 -1.410 1.00 0.00 C +ATOM 141 CG LYS A 8 -4.931 -6.689 -1.757 1.00 0.00 C +ATOM 142 CD LYS A 8 -6.238 -6.726 -0.944 1.00 0.00 C +ATOM 143 CE LYS A 8 -6.111 -7.395 0.434 1.00 0.00 C +ATOM 144 NZ LYS A 8 -6.596 -8.795 0.413 1.00 0.00 N +ATOM 145 H LYS A 8 -3.180 -3.623 0.110 1.00 0.00 H +ATOM 146 HA LYS A 8 -3.483 -6.388 0.485 1.00 0.00 H +ATOM 147 HB2 LYS A 8 -4.667 -4.665 -1.133 1.00 0.00 H +ATOM 148 HB3 LYS A 8 -3.469 -5.209 -2.302 1.00 0.00 H +ATOM 149 HG2 LYS A 8 -5.179 -6.640 -2.800 1.00 0.00 H +ATOM 150 HG3 LYS A 8 -4.383 -7.626 -1.648 1.00 0.00 H +ATOM 151 HD2 LYS A 8 -6.571 -5.716 -0.797 1.00 0.00 H +ATOM 152 HD3 LYS A 8 -6.998 -7.246 -1.531 1.00 0.00 H +ATOM 153 HE2 LYS A 8 -5.079 -7.389 0.729 1.00 0.00 H +ATOM 154 HE3 LYS A 8 -6.699 -6.816 1.151 1.00 0.00 H +ATOM 155 HZ1 LYS A 8 -7.551 -8.825 0.081 1.00 0.00 H +ATOM 156 HZ2 LYS A 8 -6.018 -9.355 -0.202 1.00 0.00 H +ATOM 157 HZ3 LYS A 8 -6.565 -9.193 1.343 1.00 0.00 H +ATOM 158 N ASP A 9 -0.838 -5.715 -1.323 1.00 0.00 N +ATOM 159 CA ASP A 9 0.450 -6.224 -1.807 1.00 0.00 C +ATOM 160 C ASP A 9 1.375 -6.712 -0.666 1.00 0.00 C +ATOM 161 O ASP A 9 2.268 -7.521 -0.902 1.00 0.00 O +ATOM 162 CB ASP A 9 1.122 -5.114 -2.638 1.00 0.00 C +ATOM 163 CG ASP A 9 1.749 -5.645 -3.931 1.00 0.00 C +ATOM 164 OD1 ASP A 9 2.908 -6.107 -3.879 1.00 0.00 O +ATOM 165 OD2 ASP A 9 1.053 -5.563 -4.967 1.00 0.00 O +ATOM 166 H ASP A 9 -1.027 -4.724 -1.433 1.00 0.00 H +ATOM 167 HA ASP A 9 0.258 -7.078 -2.459 1.00 0.00 H +ATOM 168 HB2 ASP A 9 0.383 -4.379 -2.891 1.00 0.00 H +ATOM 169 HB3 ASP A 9 1.874 -4.603 -2.038 1.00 0.00 H +ATOM 170 N GLY A 10 1.131 -6.267 0.578 1.00 0.00 N +ATOM 171 CA GLY A 10 1.947 -6.573 1.759 1.00 0.00 C +ATOM 172 C GLY A 10 2.471 -5.343 2.517 1.00 0.00 C +ATOM 173 O GLY A 10 3.312 -5.492 3.405 1.00 0.00 O +ATOM 174 H GLY A 10 0.292 -5.717 0.714 1.00 0.00 H +ATOM 175 HA2 GLY A 10 1.343 -7.159 2.453 1.00 0.00 H +ATOM 176 HA3 GLY A 10 2.809 -7.177 1.472 1.00 0.00 H +ATOM 177 N GLY A 11 2.017 -4.128 2.178 1.00 0.00 N +ATOM 178 CA GLY A 11 2.486 -2.885 2.787 1.00 0.00 C +ATOM 179 C GLY A 11 4.008 -2.719 2.637 1.00 0.00 C +ATOM 180 O GLY A 11 4.503 -2.800 1.506 1.00 0.00 O +ATOM 181 H GLY A 11 1.396 -4.039 1.378 1.00 0.00 H +ATOM 182 HA2 GLY A 11 2.001 -2.048 2.288 1.00 0.00 H +ATOM 183 HA3 GLY A 11 2.186 -2.879 3.832 1.00 0.00 H +ATOM 184 N PRO A 12 4.780 -2.519 3.728 1.00 0.00 N +ATOM 185 CA PRO A 12 6.239 -2.387 3.665 1.00 0.00 C +ATOM 186 C PRO A 12 6.950 -3.575 3.000 1.00 0.00 C +ATOM 187 O PRO A 12 7.979 -3.391 2.354 1.00 0.00 O +ATOM 188 CB PRO A 12 6.713 -2.228 5.117 1.00 0.00 C +ATOM 189 CG PRO A 12 5.470 -1.751 5.866 1.00 0.00 C +ATOM 190 CD PRO A 12 4.331 -2.431 5.110 1.00 0.00 C +ATOM 191 HA PRO A 12 6.480 -1.479 3.109 1.00 0.00 H +ATOM 192 HB2 PRO A 12 7.058 -3.165 5.510 1.00 0.00 H +ATOM 193 HB3 PRO A 12 7.527 -1.506 5.194 1.00 0.00 H +ATOM 194 HG2 PRO A 12 5.494 -2.065 6.892 1.00 0.00 H +ATOM 195 HG3 PRO A 12 5.378 -0.669 5.771 1.00 0.00 H +ATOM 196 HD2 PRO A 12 4.149 -3.411 5.508 1.00 0.00 H +ATOM 197 HD3 PRO A 12 3.421 -1.842 5.212 1.00 0.00 H +ATOM 198 N SER A 13 6.391 -4.788 3.108 1.00 0.00 N +ATOM 199 CA SER A 13 6.963 -6.030 2.565 1.00 0.00 C +ATOM 200 C SER A 13 6.817 -6.172 1.040 1.00 0.00 C +ATOM 201 O SER A 13 7.075 -7.245 0.502 1.00 0.00 O +ATOM 202 CB SER A 13 6.348 -7.235 3.292 1.00 0.00 C +ATOM 203 OG SER A 13 6.588 -7.135 4.685 1.00 0.00 O +ATOM 204 H SER A 13 5.511 -4.881 3.605 1.00 0.00 H +ATOM 205 HA SER A 13 8.033 -6.031 2.772 1.00 0.00 H +ATOM 206 HB2 SER A 13 5.290 -7.255 3.114 1.00 0.00 H +ATOM 207 HB3 SER A 13 6.798 -8.157 2.922 1.00 0.00 H +ATOM 208 HG SER A 13 7.535 -7.126 4.838 1.00 0.00 H +ATOM 209 N SER A 14 6.433 -5.095 0.342 1.00 0.00 N +ATOM 210 CA SER A 14 6.094 -5.070 -1.091 1.00 0.00 C +ATOM 211 C SER A 14 7.131 -4.326 -1.948 1.00 0.00 C +ATOM 212 O SER A 14 6.912 -4.123 -3.139 1.00 0.00 O +ATOM 213 CB SER A 14 4.713 -4.430 -1.320 1.00 0.00 C +ATOM 214 OG SER A 14 3.852 -4.557 -0.209 1.00 0.00 O +ATOM 215 H SER A 14 6.248 -4.262 0.883 1.00 0.00 H +ATOM 216 HA SER A 14 6.036 -6.095 -1.458 1.00 0.00 H +ATOM 217 HB2 SER A 14 4.851 -3.386 -1.528 1.00 0.00 H +ATOM 218 HB3 SER A 14 4.256 -4.900 -2.188 1.00 0.00 H +ATOM 219 HG SER A 14 4.090 -3.859 0.448 1.00 0.00 H +ATOM 220 N GLY A 15 8.234 -3.851 -1.350 1.00 0.00 N +ATOM 221 CA GLY A 15 9.242 -3.043 -2.046 1.00 0.00 C +ATOM 222 C GLY A 15 8.765 -1.634 -2.430 1.00 0.00 C +ATOM 223 O GLY A 15 9.339 -1.029 -3.333 1.00 0.00 O +ATOM 224 H GLY A 15 8.368 -4.078 -0.374 1.00 0.00 H +ATOM 225 HA2 GLY A 15 10.125 -2.943 -1.415 1.00 0.00 H +ATOM 226 HA3 GLY A 15 9.540 -3.557 -2.962 1.00 0.00 H +ATOM 227 N ARG A 16 7.712 -1.116 -1.776 1.00 0.00 N +ATOM 228 CA ARG A 16 7.012 0.119 -2.159 1.00 0.00 C +ATOM 229 C ARG A 16 6.744 1.004 -0.927 1.00 0.00 C +ATOM 230 O ARG A 16 6.192 0.494 0.050 1.00 0.00 O +ATOM 231 CB ARG A 16 5.715 -0.274 -2.903 1.00 0.00 C +ATOM 232 CG ARG A 16 5.325 0.703 -4.024 1.00 0.00 C +ATOM 233 CD ARG A 16 4.678 2.015 -3.540 1.00 0.00 C +ATOM 234 NE ARG A 16 3.237 2.087 -3.842 1.00 0.00 N +ATOM 235 CZ ARG A 16 2.680 2.273 -5.035 1.00 0.00 C +ATOM 236 NH1 ARG A 16 3.403 2.443 -6.118 1.00 0.00 N +ATOM 237 NH2 ARG A 16 1.375 2.289 -5.163 1.00 0.00 N +ATOM 238 H ARG A 16 7.321 -1.668 -1.025 1.00 0.00 H +ATOM 239 HA ARG A 16 7.663 0.650 -2.853 1.00 0.00 H +ATOM 240 HB2 ARG A 16 5.853 -1.247 -3.334 1.00 0.00 H +ATOM 241 HB3 ARG A 16 4.890 -0.391 -2.200 1.00 0.00 H +ATOM 242 HG2 ARG A 16 6.212 0.951 -4.574 1.00 0.00 H +ATOM 243 HG3 ARG A 16 4.637 0.186 -4.695 1.00 0.00 H +ATOM 244 HD2 ARG A 16 4.810 2.091 -2.478 1.00 0.00 H +ATOM 245 HD3 ARG A 16 5.186 2.860 -4.006 1.00 0.00 H +ATOM 246 HE ARG A 16 2.615 2.042 -3.054 1.00 0.00 H +ATOM 247 HH11 ARG A 16 4.402 2.431 -6.023 1.00 0.00 H +ATOM 248 HH12 ARG A 16 2.980 2.582 -7.018 1.00 0.00 H +ATOM 249 HH21 ARG A 16 0.783 2.132 -4.366 1.00 0.00 H +ATOM 250 HH22 ARG A 16 0.966 2.417 -6.070 1.00 0.00 H +ATOM 251 N PRO A 17 7.089 2.310 -0.946 1.00 0.00 N +ATOM 252 CA PRO A 17 6.885 3.210 0.196 1.00 0.00 C +ATOM 253 C PRO A 17 5.393 3.477 0.503 1.00 0.00 C +ATOM 254 O PRO A 17 4.546 3.303 -0.377 1.00 0.00 O +ATOM 255 CB PRO A 17 7.623 4.504 -0.182 1.00 0.00 C +ATOM 256 CG PRO A 17 7.588 4.505 -1.707 1.00 0.00 C +ATOM 257 CD PRO A 17 7.737 3.023 -2.038 1.00 0.00 C +ATOM 258 HA PRO A 17 7.356 2.774 1.077 1.00 0.00 H +ATOM 259 HB2 PRO A 17 7.117 5.363 0.213 1.00 0.00 H +ATOM 260 HB3 PRO A 17 8.658 4.442 0.155 1.00 0.00 H +ATOM 261 HG2 PRO A 17 6.657 4.893 -2.074 1.00 0.00 H +ATOM 262 HG3 PRO A 17 8.394 5.099 -2.134 1.00 0.00 H +ATOM 263 HD2 PRO A 17 7.256 2.797 -2.970 1.00 0.00 H +ATOM 264 HD3 PRO A 17 8.794 2.757 -2.066 1.00 0.00 H +ATOM 265 N PRO A 18 5.059 3.929 1.730 1.00 0.00 N +ATOM 266 CA PRO A 18 3.682 4.205 2.144 1.00 0.00 C +ATOM 267 C PRO A 18 3.095 5.411 1.383 1.00 0.00 C +ATOM 268 O PRO A 18 3.661 6.502 1.452 1.00 0.00 O +ATOM 269 CB PRO A 18 3.748 4.459 3.655 1.00 0.00 C +ATOM 270 CG PRO A 18 5.175 4.956 3.878 1.00 0.00 C +ATOM 271 CD PRO A 18 5.977 4.185 2.832 1.00 0.00 C +ATOM 272 HA PRO A 18 3.080 3.317 1.975 1.00 0.00 H +ATOM 273 HB2 PRO A 18 3.033 5.203 3.949 1.00 0.00 H +ATOM 274 HB3 PRO A 18 3.609 3.517 4.186 1.00 0.00 H +ATOM 275 HG2 PRO A 18 5.245 6.014 3.714 1.00 0.00 H +ATOM 276 HG3 PRO A 18 5.524 4.748 4.890 1.00 0.00 H +ATOM 277 HD2 PRO A 18 6.810 4.771 2.495 1.00 0.00 H +ATOM 278 HD3 PRO A 18 6.310 3.236 3.253 1.00 0.00 H +ATOM 279 N PRO A 19 1.966 5.253 0.661 1.00 0.00 N +ATOM 280 CA PRO A 19 1.331 6.356 -0.052 1.00 0.00 C +ATOM 281 C PRO A 19 0.578 7.268 0.928 1.00 0.00 C +ATOM 282 O PRO A 19 -0.202 6.793 1.754 1.00 0.00 O +ATOM 283 CB PRO A 19 0.397 5.681 -1.061 1.00 0.00 C +ATOM 284 CG PRO A 19 -0.022 4.391 -0.357 1.00 0.00 C +ATOM 285 CD PRO A 19 1.197 4.027 0.492 1.00 0.00 C +ATOM 286 HA PRO A 19 2.080 6.941 -0.589 1.00 0.00 H +ATOM 287 HB2 PRO A 19 -0.455 6.299 -1.267 1.00 0.00 H +ATOM 288 HB3 PRO A 19 0.960 5.433 -1.961 1.00 0.00 H +ATOM 289 HG2 PRO A 19 -0.883 4.555 0.261 1.00 0.00 H +ATOM 290 HG3 PRO A 19 -0.265 3.606 -1.072 1.00 0.00 H +ATOM 291 HD2 PRO A 19 0.884 3.651 1.447 1.00 0.00 H +ATOM 292 HD3 PRO A 19 1.805 3.288 -0.030 1.00 0.00 H +ATOM 293 N SER A 20 0.794 8.581 0.820 1.00 0.00 N +ATOM 294 CA SER A 20 0.068 9.633 1.546 1.00 0.00 C +ATOM 295 C SER A 20 -0.019 10.895 0.692 1.00 0.00 C +ATOM 296 O SER A 20 0.894 11.061 -0.156 1.00 0.00 O +ATOM 297 CB SER A 20 0.690 9.909 2.920 1.00 0.00 C +ATOM 298 OG SER A 20 2.087 10.037 2.813 1.00 0.00 O +ATOM 299 OXT SER A 20 -1.022 11.612 0.858 1.00 0.00 O +ATOM 300 H SER A 20 1.377 8.948 0.073 1.00 0.00 H +ATOM 301 HA SER A 20 -0.962 9.316 1.705 1.00 0.00 H +ATOM 302 HB2 SER A 20 0.282 10.819 3.316 1.00 0.00 H +ATOM 303 HB3 SER A 20 0.461 9.076 3.584 1.00 0.00 H +ATOM 304 HG SER A 20 2.347 9.513 2.048 1.00 0.00 H +TER 305 SER A 20 +ENDMDL +MASTER 109 0 0 2 0 0 0 611552 38 0 2 +END HEADER DE NOVO PROTEIN 25-FEB-02 1L2Y +TITLE NMR STRUCTURE OF TRP-CAGE MINIPROTEIN CONSTRUCT TC5B +COMPND MOL_ID: 1; +COMPND 2 MOLECULE: TC5B; +COMPND 3 CHAIN: A; +COMPND 4 ENGINEERED: YES +SOURCE MOL_ID: 1; +SOURCE 2 SYNTHETIC: YES; +SOURCE 3 OTHER_DETAILS: THE PROTEIN WAS SYNTHESIZED USING STANDARD +SOURCE 4 FMOC SOLID-PHASE SYNTHESIS METHODS ON AN APPLIED +SOURCE 5 BIOSYSTEMS 433A PEPTIDE SYNTHESIZER. +KEYWDS MINIPROTEIN, TWO-STATE FOLDING, TRP-CAGE, DE NOVO PROTEIN +EXPDTA SOLUTION NMR +NUMMDL 38 +AUTHOR J.W.NEIDIGH,R.M.FESINMEYER,N.H.ANDERSEN +REVDAT 2 24-FEB-09 1L2Y 1 VERSN +REVDAT 1 29-MAY-02 1L2Y 0 +JRNL AUTH J.W.NEIDIGH,R.M.FESINMEYER,N.H.ANDERSEN +JRNL TITL DESIGNING A 20-RESIDUE PROTEIN. +JRNL REF NAT.STRUCT.BIOL. V. 9 425 2002 +JRNL REFN ISSN 1072-8368 +JRNL PMID 11979279 +JRNL DOI 10.1038/NSB798 +REMARK 1 +REMARK 2 +REMARK 2 RESOLUTION. NOT APPLICABLE. +REMARK 3 +REMARK 3 REFINEMENT. +REMARK 3 PROGRAM : AMBER 6.0 +REMARK 3 AUTHORS : KOLLMAN +REMARK 3 +REMARK 3 OTHER REFINEMENT REMARKS: 169 NOE DISTANCE CONSTRAINTS WERE +REMARK 3 EMPLOYED. CNS WAS EMPLOYED FOR S.A., FOLLOWED BY MINIMIZATION +REMARK 3 USING THE SANDER MODULE OF AMBER. +REMARK 4 +REMARK 4 1L2Y COMPLIES WITH FORMAT V. 3.15, 01-DEC-08 +REMARK 100 +REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY RCSB ON 28-FEB-02. +REMARK 100 THE RCSB ID CODE IS RCSB015598. +REMARK 210 +REMARK 210 EXPERIMENTAL DETAILS +REMARK 210 EXPERIMENT TYPE : NMR +REMARK 210 TEMPERATURE (KELVIN) : 282 +REMARK 210 PH : 7 +REMARK 210 IONIC STRENGTH : NULL +REMARK 210 PRESSURE : AMBIENT +REMARK 210 SAMPLE CONTENTS : 1.0-1.8 MM TC5B +REMARK 210 +REMARK 210 NMR EXPERIMENTS CONDUCTED : 2D NOESY +REMARK 210 SPECTROMETER FIELD STRENGTH : 500 MHZ +REMARK 210 SPECTROMETER MODEL : DRX +REMARK 210 SPECTROMETER MANUFACTURER : BRUKER +REMARK 210 +REMARK 210 STRUCTURE DETERMINATION. +REMARK 210 SOFTWARE USED : XWINNMR 2.6, FELIX 95, CNS +REMARK 210 1.0, AMBER 6.0 +REMARK 210 METHOD USED : SIMULATED ANNEALING FROM +REMARK 210 RANDOM STRUCTURES FOLLOWED BY +REMARK 210 STEEPEST DESCENT MINIMIZATION +REMARK 210 +REMARK 210 CONFORMERS, NUMBER CALCULATED : 50 +REMARK 210 CONFORMERS, NUMBER SUBMITTED : 38 +REMARK 210 CONFORMERS, SELECTION CRITERIA : STRUCTURES WITH ACCEPTABLE +REMARK 210 COVALENT GEOMETRY, STRUCTURES +REMARK 210 WITH THE LEAST RESTRAINT +REMARK 210 VIOLATIONS +REMARK 210 +REMARK 210 BEST REPRESENTATIVE CONFORMER IN THIS ENSEMBLE : NULL +REMARK 210 +REMARK 210 REMARK: THIS STRUCTURE WAS DETERMINED USING STANDARD 2D +REMARK 210 HOMONUCLEAR TECHNIQUES. +REMARK 215 +REMARK 215 NMR STUDY +REMARK 215 THE COORDINATES IN THIS ENTRY WERE GENERATED FROM SOLUTION +REMARK 215 NMR DATA. PROTEIN DATA BANK CONVENTIONS REQUIRE THAT +REMARK 215 CRYST1 AND SCALE RECORDS BE INCLUDED, BUT THE VALUES ON +REMARK 215 THESE RECORDS ARE MEANINGLESS. +REMARK 500 +REMARK 500 GEOMETRY AND STEREOCHEMISTRY +REMARK 500 SUBTOPIC: COVALENT BOND ANGLES +REMARK 500 +REMARK 500 THE STEREOCHEMICAL PARAMETERS OF THE FOLLOWING RESIDUES +REMARK 500 HAVE VALUES WHICH DEVIATE FROM EXPECTED VALUES BY MORE +REMARK 500 THAN 6*RMSD (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN +REMARK 500 IDENTIFIER; SSEQ=SEQUENCE NUMBER; I=INSERTION CODE). +REMARK 500 +REMARK 500 STANDARD TABLE: +REMARK 500 FORMAT: (10X,I3,1X,A3,1X,A1,I4,A1,3(1X,A4,2X),12X,F5.1) +REMARK 500 +REMARK 500 EXPECTED VALUES PROTEIN: ENGH AND HUBER, 1999 +REMARK 500 EXPECTED VALUES NUCLEIC ACID: CLOWNEY ET AL 1996 +REMARK 500 +REMARK 500 M RES CSSEQI ATM1 ATM2 ATM3 +REMARK 500 2 ARG A 16 NE - CZ - NH1 ANGL. DEV. = 3.6 DEGREES +REMARK 500 13 ARG A 16 NE - CZ - NH1 ANGL. DEV. = 4.7 DEGREES +REMARK 500 +REMARK 500 REMARK: NULL +REMARK 500 +REMARK 500 GEOMETRY AND STEREOCHEMISTRY +REMARK 500 SUBTOPIC: TORSION ANGLES +REMARK 500 +REMARK 500 TORSION ANGLES OUTSIDE THE EXPECTED RAMACHANDRAN REGIONS: +REMARK 500 (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN IDENTIFIER; +REMARK 500 SSEQ=SEQUENCE NUMBER; I=INSERTION CODE). +REMARK 500 +REMARK 500 STANDARD TABLE: +REMARK 500 FORMAT:(10X,I3,1X,A3,1X,A1,I4,A1,4X,F7.2,3X,F7.2) +REMARK 500 +REMARK 500 EXPECTED VALUES: GJ KLEYWEGT AND TA JONES (1996). PHI/PSI- +REMARK 500 CHOLOGY: RAMACHANDRAN REVISITED. STRUCTURE 4, 1395 - 1400 +REMARK 500 +REMARK 500 M RES CSSEQI PSI PHI +REMARK 500 5 LEU A 2 -34.83 72.95 +REMARK 500 6 LEU A 2 -33.93 63.45 +REMARK 500 9 LEU A 2 -18.34 57.13 +REMARK 500 13 LEU A 2 -33.72 66.32 +REMARK 500 18 LEU A 2 -3.11 60.50 +REMARK 500 19 LEU A 2 -1.16 58.98 +REMARK 500 20 LEU A 2 -32.96 68.39 +REMARK 500 23 LEU A 2 -47.12 63.92 +REMARK 500 28 LEU A 2 -2.46 61.26 +REMARK 500 29 LEU A 2 -42.02 66.43 +REMARK 500 34 PRO A 12 11.15 -66.86 +REMARK 500 +REMARK 500 REMARK: NULL +REMARK 900 +REMARK 900 RELATED ENTRIES +REMARK 900 RELATED ID: 5292 RELATED DB: BMRB +REMARK 900 BMRB 5292 IS CHEMICAL SHIFTS FOR TC5B IN BUFFER AND BUFFER +REMARK 900 CONTAINING 30 VOL-% TFE. +REMARK 900 RELATED ID: 1JRJ RELATED DB: PDB +REMARK 900 1JRJ IS AN ANALAGOUS C-TERMINAL STRUCTURE. +DBREF 1L2Y A 1 20 PDB 1L2Y 1L2Y 1 20 +SEQRES 1 A 20 ASN LEU TYR ILE GLN TRP LEU LYS ASP GLY GLY PRO SER +SEQRES 2 A 20 SER GLY ARG PRO PRO PRO SER +HELIX 1 1 ASN A 1 ASP A 9 1 9 +HELIX 2 2 GLY A 10 GLY A 15 5 6 +CRYST1 1.000 1.000 1.000 90.00 90.00 90.00 P 1 1 +ORIGX1 1.000000 0.000000 0.000000 0.00000 +ORIGX2 0.000000 1.000000 0.000000 0.00000 +ORIGX3 0.000000 0.000000 1.000000 0.00000 +SCALE1 1.000000 0.000000 0.000000 0.00000 +SCALE2 0.000000 1.000000 0.000000 0.00000 +SCALE3 0.000000 0.000000 1.000000 0.00000 +MODEL 1 +ATOM 1 N ASN A 1 -8.901 4.127 -0.555 1.00 0.00 N +ATOM 2 CA ASN A 1 -8.608 3.135 -1.618 1.00 0.00 C +ATOM 3 C ASN A 1 -7.117 2.964 -1.897 1.00 0.00 C +ATOM 4 O ASN A 1 -6.634 1.849 -1.758 1.00 0.00 O +ATOM 5 CB ASN A 1 -9.437 3.396 -2.889 1.00 0.00 C +ATOM 6 CG ASN A 1 -10.915 3.130 -2.611 1.00 0.00 C +ATOM 7 OD1 ASN A 1 -11.269 2.700 -1.524 1.00 0.00 O +ATOM 8 ND2 ASN A 1 -11.806 3.406 -3.543 1.00 0.00 N +ATOM 9 H1 ASN A 1 -8.330 3.957 0.261 1.00 0.00 H +ATOM 10 H2 ASN A 1 -8.740 5.068 -0.889 1.00 0.00 H +ATOM 11 H3 ASN A 1 -9.877 4.041 -0.293 1.00 0.00 H +ATOM 12 HA ASN A 1 -8.930 2.162 -1.239 1.00 0.00 H +ATOM 13 HB2 ASN A 1 -9.310 4.417 -3.193 1.00 0.00 H +ATOM 14 HB3 ASN A 1 -9.108 2.719 -3.679 1.00 0.00 H +ATOM 15 HD21 ASN A 1 -11.572 3.791 -4.444 1.00 0.00 H +ATOM 16 HD22 ASN A 1 -12.757 3.183 -3.294 1.00 0.00 H +ATOM 17 N LEU A 2 -6.379 4.031 -2.228 1.00 0.00 N +ATOM 18 CA LEU A 2 -4.923 4.002 -2.452 1.00 0.00 C +ATOM 19 C LEU A 2 -4.136 3.187 -1.404 1.00 0.00 C +ATOM 20 O LEU A 2 -3.391 2.274 -1.760 1.00 0.00 O +ATOM 21 CB LEU A 2 -4.411 5.450 -2.619 1.00 0.00 C +ATOM 22 CG LEU A 2 -4.795 6.450 -1.495 1.00 0.00 C +ATOM 23 CD1 LEU A 2 -3.612 6.803 -0.599 1.00 0.00 C +ATOM 24 CD2 LEU A 2 -5.351 7.748 -2.084 1.00 0.00 C +ATOM 25 H LEU A 2 -6.821 4.923 -2.394 1.00 0.00 H +ATOM 26 HA LEU A 2 -4.750 3.494 -3.403 1.00 0.00 H +ATOM 27 HB2 LEU A 2 -3.340 5.414 -2.672 1.00 0.00 H +ATOM 28 HB3 LEU A 2 -4.813 5.817 -3.564 1.00 0.00 H +ATOM 29 HG LEU A 2 -5.568 6.022 -0.858 1.00 0.00 H +ATOM 30 HD11 LEU A 2 -3.207 5.905 -0.146 1.00 0.00 H +ATOM 31 HD12 LEU A 2 -2.841 7.304 -1.183 1.00 0.00 H +ATOM 32 HD13 LEU A 2 -3.929 7.477 0.197 1.00 0.00 H +ATOM 33 HD21 LEU A 2 -4.607 8.209 -2.736 1.00 0.00 H +ATOM 34 HD22 LEU A 2 -6.255 7.544 -2.657 1.00 0.00 H +ATOM 35 HD23 LEU A 2 -5.592 8.445 -1.281 1.00 0.00 H +ATOM 36 N TYR A 3 -4.354 3.455 -0.111 1.00 0.00 N +ATOM 37 CA TYR A 3 -3.690 2.738 0.981 1.00 0.00 C +ATOM 38 C TYR A 3 -4.102 1.256 1.074 1.00 0.00 C +ATOM 39 O TYR A 3 -3.291 0.409 1.442 1.00 0.00 O +ATOM 40 CB TYR A 3 -3.964 3.472 2.302 1.00 0.00 C +ATOM 41 CG TYR A 3 -2.824 3.339 3.290 1.00 0.00 C +ATOM 42 CD1 TYR A 3 -2.746 2.217 4.138 1.00 0.00 C +ATOM 43 CD2 TYR A 3 -1.820 4.326 3.332 1.00 0.00 C +ATOM 44 CE1 TYR A 3 -1.657 2.076 5.018 1.00 0.00 C +ATOM 45 CE2 TYR A 3 -0.725 4.185 4.205 1.00 0.00 C +ATOM 46 CZ TYR A 3 -0.639 3.053 5.043 1.00 0.00 C +ATOM 47 OH TYR A 3 0.433 2.881 5.861 1.00 0.00 O +ATOM 48 H TYR A 3 -4.934 4.245 0.120 1.00 0.00 H +ATOM 49 HA TYR A 3 -2.615 2.768 0.796 1.00 0.00 H +ATOM 50 HB2 TYR A 3 -4.117 4.513 2.091 1.00 0.00 H +ATOM 51 HB3 TYR A 3 -4.886 3.096 2.750 1.00 0.00 H +ATOM 52 HD1 TYR A 3 -3.513 1.456 4.101 1.00 0.00 H +ATOM 53 HD2 TYR A 3 -1.877 5.200 2.695 1.00 0.00 H +ATOM 54 HE1 TYR A 3 -1.576 1.221 5.669 1.00 0.00 H +ATOM 55 HE2 TYR A 3 0.033 4.952 4.233 1.00 0.00 H +ATOM 56 HH TYR A 3 1.187 3.395 5.567 1.00 0.00 H +ATOM 57 N ILE A 4 -5.342 0.925 0.689 1.00 0.00 N +ATOM 58 CA ILE A 4 -5.857 -0.449 0.613 1.00 0.00 C +ATOM 59 C ILE A 4 -5.089 -1.221 -0.470 1.00 0.00 C +ATOM 60 O ILE A 4 -4.621 -2.334 -0.226 1.00 0.00 O +ATOM 61 CB ILE A 4 -7.386 -0.466 0.343 1.00 0.00 C +ATOM 62 CG1 ILE A 4 -8.197 0.540 1.197 1.00 0.00 C +ATOM 63 CG2 ILE A 4 -7.959 -1.884 0.501 1.00 0.00 C +ATOM 64 CD1 ILE A 4 -8.019 0.412 2.715 1.00 0.00 C +ATOM 65 H ILE A 4 -5.906 1.656 0.283 1.00 0.00 H +ATOM 66 HA ILE A 4 -5.670 -0.941 1.568 1.00 0.00 H +ATOM 67 HB ILE A 4 -7.554 -0.192 -0.697 1.00 0.00 H +ATOM 68 HG12 ILE A 4 -7.900 1.531 0.912 1.00 0.00 H +ATOM 69 HG13 ILE A 4 -9.257 0.424 0.964 1.00 0.00 H +ATOM 70 HG21 ILE A 4 -7.509 -2.555 -0.232 1.00 0.00 H +ATOM 71 HG22 ILE A 4 -7.759 -2.271 1.501 1.00 0.00 H +ATOM 72 HG23 ILE A 4 -9.036 -1.871 0.332 1.00 0.00 H +ATOM 73 HD11 ILE A 4 -8.306 -0.585 3.049 1.00 0.00 H +ATOM 74 HD12 ILE A 4 -6.983 0.606 2.995 1.00 0.00 H +ATOM 75 HD13 ILE A 4 -8.656 1.144 3.213 1.00 0.00 H +ATOM 76 N GLN A 5 -4.907 -0.601 -1.645 1.00 0.00 N +ATOM 77 CA GLN A 5 -4.122 -1.167 -2.743 1.00 0.00 C +ATOM 78 C GLN A 5 -2.629 -1.321 -2.390 1.00 0.00 C +ATOM 79 O GLN A 5 -1.986 -2.240 -2.884 1.00 0.00 O +ATOM 80 CB GLN A 5 -4.292 -0.313 -4.013 1.00 0.00 C +ATOM 81 CG GLN A 5 -4.244 -1.171 -5.290 1.00 0.00 C +ATOM 82 CD GLN A 5 -5.576 -1.860 -5.585 1.00 0.00 C +ATOM 83 OE1 GLN A 5 -5.769 -3.044 -5.335 1.00 0.00 O +ATOM 84 NE2 GLN A 5 -6.532 -1.146 -6.152 1.00 0.00 N +ATOM 85 H GLN A 5 -5.327 0.318 -1.763 1.00 0.00 H +ATOM 86 HA GLN A 5 -4.517 -2.162 -2.940 1.00 0.00 H +ATOM 87 HB2 GLN A 5 -5.238 0.191 -3.969 1.00 0.00 H +ATOM 88 HB3 GLN A 5 -3.492 0.429 -4.053 1.00 0.00 H +ATOM 89 HG2 GLN A 5 -3.993 -0.539 -6.120 1.00 0.00 H +ATOM 90 HG3 GLN A 5 -3.458 -1.923 -5.205 1.00 0.00 H +ATOM 91 HE21 GLN A 5 -6.389 -0.184 -6.408 1.00 0.00 H +ATOM 92 HE22 GLN A 5 -7.392 -1.635 -6.335 1.00 0.00 H +ATOM 93 N TRP A 6 -2.074 -0.459 -1.528 1.00 0.00 N +ATOM 94 CA TRP A 6 -0.716 -0.631 -0.993 1.00 0.00 C +ATOM 95 C TRP A 6 -0.631 -1.766 0.044 1.00 0.00 C +ATOM 96 O TRP A 6 0.295 -2.579 -0.004 1.00 0.00 O +ATOM 97 CB TRP A 6 -0.221 0.703 -0.417 1.00 0.00 C +ATOM 98 CG TRP A 6 1.148 0.652 0.194 1.00 0.00 C +ATOM 99 CD1 TRP A 6 2.319 0.664 -0.482 1.00 0.00 C +ATOM 100 CD2 TRP A 6 1.508 0.564 1.606 1.00 0.00 C +ATOM 101 NE1 TRP A 6 3.371 0.560 0.411 1.00 0.00 N +ATOM 102 CE2 TRP A 6 2.928 0.515 1.710 1.00 0.00 C +ATOM 103 CE3 TRP A 6 0.779 0.524 2.812 1.00 0.00 C +ATOM 104 CZ2 TRP A 6 3.599 0.445 2.938 1.00 0.00 C +ATOM 105 CZ3 TRP A 6 1.439 0.433 4.053 1.00 0.00 C +ATOM 106 CH2 TRP A 6 2.842 0.407 4.120 1.00 0.00 C +ATOM 107 H TRP A 6 -2.624 0.343 -1.242 1.00 0.00 H +ATOM 108 HA TRP A 6 -0.052 -0.908 -1.813 1.00 0.00 H +ATOM 109 HB2 TRP A 6 -0.206 1.425 -1.211 1.00 0.00 H +ATOM 110 HB3 TRP A 6 -0.921 1.044 0.344 1.00 0.00 H +ATOM 111 HD1 TRP A 6 2.412 0.733 -1.558 1.00 0.00 H +ATOM 112 HE1 TRP A 6 4.360 0.536 0.156 1.00 0.00 H +ATOM 113 HE3 TRP A 6 -0.299 0.571 2.773 1.00 0.00 H +ATOM 114 HZ2 TRP A 6 4.679 0.418 2.961 1.00 0.00 H +ATOM 115 HZ3 TRP A 6 0.862 0.400 4.966 1.00 0.00 H +ATOM 116 HH2 TRP A 6 3.334 0.360 5.081 1.00 0.00 H +ATOM 117 N LEU A 7 -1.600 -1.860 0.967 1.00 0.00 N +ATOM 118 CA LEU A 7 -1.641 -2.932 1.963 1.00 0.00 C +ATOM 119 C LEU A 7 -1.847 -4.319 1.342 1.00 0.00 C +ATOM 120 O LEU A 7 -1.144 -5.248 1.742 1.00 0.00 O +ATOM 121 CB LEU A 7 -2.710 -2.645 3.033 1.00 0.00 C +ATOM 122 CG LEU A 7 -2.301 -1.579 4.069 1.00 0.00 C +ATOM 123 CD1 LEU A 7 -3.475 -1.323 5.018 1.00 0.00 C +ATOM 124 CD2 LEU A 7 -1.093 -2.007 4.914 1.00 0.00 C +ATOM 125 H LEU A 7 -2.316 -1.137 0.994 1.00 0.00 H +ATOM 126 HA LEU A 7 -0.666 -2.978 2.445 1.00 0.00 H +ATOM 127 HB2 LEU A 7 -3.600 -2.308 2.537 1.00 0.00 H +ATOM 128 HB3 LEU A 7 -2.921 -3.571 3.572 1.00 0.00 H +ATOM 129 HG LEU A 7 -2.061 -0.649 3.560 1.00 0.00 H +ATOM 130 HD11 LEU A 7 -4.343 -0.992 4.449 1.00 0.00 H +ATOM 131 HD12 LEU A 7 -3.725 -2.237 5.560 1.00 0.00 H +ATOM 132 HD13 LEU A 7 -3.211 -0.549 5.739 1.00 0.00 H +ATOM 133 HD21 LEU A 7 -1.270 -2.989 5.354 1.00 0.00 H +ATOM 134 HD22 LEU A 7 -0.195 -2.045 4.300 1.00 0.00 H +ATOM 135 HD23 LEU A 7 -0.922 -1.286 5.712 1.00 0.00 H +ATOM 136 N LYS A 8 -2.753 -4.481 0.360 1.00 0.00 N +ATOM 137 CA LYS A 8 -3.024 -5.791 -0.269 1.00 0.00 C +ATOM 138 C LYS A 8 -1.796 -6.427 -0.937 1.00 0.00 C +ATOM 139 O LYS A 8 -1.719 -7.648 -1.030 1.00 0.00 O +ATOM 140 CB LYS A 8 -4.224 -5.697 -1.232 1.00 0.00 C +ATOM 141 CG LYS A 8 -3.930 -5.009 -2.577 1.00 0.00 C +ATOM 142 CD LYS A 8 -3.682 -5.986 -3.736 1.00 0.00 C +ATOM 143 CE LYS A 8 -3.494 -5.199 -5.039 1.00 0.00 C +ATOM 144 NZ LYS A 8 -4.563 -5.483 -6.023 1.00 0.00 N +ATOM 145 H LYS A 8 -3.321 -3.675 0.097 1.00 0.00 H +ATOM 146 HA LYS A 8 -3.309 -6.478 0.529 1.00 0.00 H +ATOM 147 HB2 LYS A 8 -4.565 -6.694 -1.436 1.00 0.00 H +ATOM 148 HB3 LYS A 8 -5.019 -5.143 -0.731 1.00 0.00 H +ATOM 149 HG2 LYS A 8 -4.769 -4.390 -2.830 1.00 0.00 H +ATOM 150 HG3 LYS A 8 -3.062 -4.368 -2.469 1.00 0.00 H +ATOM 151 HD2 LYS A 8 -2.799 -6.562 -3.536 1.00 0.00 H +ATOM 152 HD3 LYS A 8 -4.524 -6.674 -3.818 1.00 0.00 H +ATOM 153 HE2 LYS A 8 -3.502 -4.150 -4.813 1.00 0.00 H +ATOM 154 HE3 LYS A 8 -2.511 -5.439 -5.457 1.00 0.00 H +ATOM 155 HZ1 LYS A 8 -4.621 -6.474 -6.211 1.00 0.00 H +ATOM 156 HZ2 LYS A 8 -5.442 -5.124 -5.657 1.00 0.00 H +ATOM 157 HZ3 LYS A 8 -4.382 -4.983 -6.881 1.00 0.00 H +ATOM 158 N ASP A 9 -0.828 -5.607 -1.355 1.00 0.00 N +ATOM 159 CA ASP A 9 0.466 -6.016 -1.905 1.00 0.00 C +ATOM 160 C ASP A 9 1.481 -6.464 -0.832 1.00 0.00 C +ATOM 161 O ASP A 9 2.545 -6.971 -1.194 1.00 0.00 O +ATOM 162 CB ASP A 9 1.033 -4.839 -2.724 1.00 0.00 C +ATOM 163 CG ASP A 9 0.672 -4.906 -4.210 1.00 0.00 C +ATOM 164 OD1 ASP A 9 -0.532 -5.051 -4.522 1.00 0.00 O +ATOM 165 OD2 ASP A 9 1.627 -4.815 -5.017 1.00 0.00 O +ATOM 166 H ASP A 9 -1.010 -4.616 -1.291 1.00 0.00 H +ATOM 167 HA ASP A 9 0.319 -6.867 -2.574 1.00 0.00 H +ATOM 168 HB2 ASP A 9 0.644 -3.924 -2.320 1.00 0.00 H +ATOM 169 HB3 ASP A 9 2.116 -4.837 -2.650 1.00 0.00 H +ATOM 170 N GLY A 10 1.185 -6.278 0.464 1.00 0.00 N +ATOM 171 CA GLY A 10 2.060 -6.618 1.593 1.00 0.00 C +ATOM 172 C GLY A 10 2.628 -5.412 2.353 1.00 0.00 C +ATOM 173 O GLY A 10 3.496 -5.594 3.208 1.00 0.00 O +ATOM 174 H GLY A 10 0.265 -5.908 0.693 1.00 0.00 H +ATOM 175 HA2 GLY A 10 1.486 -7.214 2.304 1.00 0.00 H +ATOM 176 HA3 GLY A 10 2.897 -7.228 1.252 1.00 0.00 H +ATOM 177 N GLY A 11 2.172 -4.187 2.055 1.00 0.00 N +ATOM 178 CA GLY A 11 2.626 -2.967 2.723 1.00 0.00 C +ATOM 179 C GLY A 11 4.157 -2.802 2.654 1.00 0.00 C +ATOM 180 O GLY A 11 4.710 -2.829 1.551 1.00 0.00 O +ATOM 181 H GLY A 11 1.481 -4.089 1.319 1.00 0.00 H +ATOM 182 HA2 GLY A 11 2.164 -2.109 2.237 1.00 0.00 H +ATOM 183 HA3 GLY A 11 2.280 -2.997 3.753 1.00 0.00 H +ATOM 184 N PRO A 12 4.871 -2.651 3.794 1.00 0.00 N +ATOM 185 CA PRO A 12 6.333 -2.533 3.806 1.00 0.00 C +ATOM 186 C PRO A 12 7.058 -3.729 3.165 1.00 0.00 C +ATOM 187 O PRO A 12 8.139 -3.562 2.601 1.00 0.00 O +ATOM 188 CB PRO A 12 6.740 -2.387 5.279 1.00 0.00 C +ATOM 189 CG PRO A 12 5.460 -1.952 5.987 1.00 0.00 C +ATOM 190 CD PRO A 12 4.362 -2.615 5.160 1.00 0.00 C +ATOM 191 HA PRO A 12 6.611 -1.626 3.267 1.00 0.00 H +ATOM 192 HB2 PRO A 12 7.091 -3.323 5.670 1.00 0.00 H +ATOM 193 HB3 PRO A 12 7.531 -1.647 5.403 1.00 0.00 H +ATOM 194 HG2 PRO A 12 5.443 -2.302 7.001 1.00 0.00 H +ATOM 195 HG3 PRO A 12 5.358 -0.867 5.929 1.00 0.00 H +ATOM 196 HD2 PRO A 12 4.173 -3.609 5.516 1.00 0.00 H +ATOM 197 HD3 PRO A 12 3.440 -2.042 5.246 1.00 0.00 H +ATOM 198 N SER A 13 6.463 -4.929 3.205 1.00 0.00 N +ATOM 199 CA SER A 13 7.049 -6.179 2.704 1.00 0.00 C +ATOM 200 C SER A 13 6.897 -6.369 1.185 1.00 0.00 C +ATOM 201 O SER A 13 7.025 -7.488 0.697 1.00 0.00 O +ATOM 202 CB SER A 13 6.458 -7.371 3.472 1.00 0.00 C +ATOM 203 OG SER A 13 6.763 -7.264 4.850 1.00 0.00 O +ATOM 204 H SER A 13 5.535 -4.999 3.613 1.00 0.00 H +ATOM 205 HA SER A 13 8.121 -6.159 2.903 1.00 0.00 H +ATOM 206 HB2 SER A 13 5.393 -7.382 3.344 1.00 0.00 H +ATOM 207 HB3 SER A 13 6.880 -8.302 3.093 1.00 0.00 H +ATOM 208 HG SER A 13 7.707 -7.394 4.970 1.00 0.00 H +ATOM 209 N SER A 14 6.637 -5.290 0.434 1.00 0.00 N +ATOM 210 CA SER A 14 6.389 -5.315 -1.015 1.00 0.00 C +ATOM 211 C SER A 14 7.332 -4.405 -1.823 1.00 0.00 C +ATOM 212 O SER A 14 7.082 -4.123 -2.993 1.00 0.00 O +ATOM 213 CB SER A 14 4.914 -4.993 -1.265 1.00 0.00 C +ATOM 214 OG SER A 14 4.431 -5.743 -2.358 1.00 0.00 O +ATOM 215 H SER A 14 6.509 -4.415 0.930 1.00 0.00 H +ATOM 216 HA SER A 14 6.562 -6.329 -1.378 1.00 0.00 H +ATOM 217 HB2 SER A 14 4.344 -5.236 -0.389 1.00 0.00 H +ATOM 218 HB3 SER A 14 4.778 -3.934 -1.457 1.00 0.00 H +ATOM 219 HG SER A 14 3.714 -6.324 -1.987 1.00 0.00 H +ATOM 220 N GLY A 15 8.419 -3.920 -1.202 1.00 0.00 N +ATOM 221 CA GLY A 15 9.451 -3.116 -1.870 1.00 0.00 C +ATOM 222 C GLY A 15 8.984 -1.725 -2.316 1.00 0.00 C +ATOM 223 O GLY A 15 9.539 -1.177 -3.267 1.00 0.00 O +ATOM 224 H GLY A 15 8.573 -4.210 -0.246 1.00 0.00 H +ATOM 225 HA2 GLY A 15 10.297 -2.987 -1.194 1.00 0.00 H +ATOM 226 HA3 GLY A 15 9.805 -3.652 -2.752 1.00 0.00 H +ATOM 227 N ARG A 16 7.956 -1.164 -1.660 1.00 0.00 N +ATOM 228 CA ARG A 16 7.289 0.084 -2.054 1.00 0.00 C +ATOM 229 C ARG A 16 6.855 0.916 -0.829 1.00 0.00 C +ATOM 230 O ARG A 16 6.222 0.366 0.076 1.00 0.00 O +ATOM 231 CB ARG A 16 6.110 -0.243 -2.994 1.00 0.00 C +ATOM 232 CG ARG A 16 5.046 -1.171 -2.378 1.00 0.00 C +ATOM 233 CD ARG A 16 3.923 -1.592 -3.338 1.00 0.00 C +ATOM 234 NE ARG A 16 4.251 -2.811 -4.100 1.00 0.00 N +ATOM 235 CZ ARG A 16 4.859 -2.914 -5.274 1.00 0.00 C +ATOM 236 NH1 ARG A 16 5.289 -1.864 -5.937 1.00 0.00 N +ATOM 237 NH2 ARG A 16 5.035 -4.095 -5.809 1.00 0.00 N +ATOM 238 H ARG A 16 7.579 -1.676 -0.874 1.00 0.00 H +ATOM 239 HA ARG A 16 8.009 0.663 -2.630 1.00 0.00 H +ATOM 240 HB2 ARG A 16 5.634 0.678 -3.269 1.00 0.00 H +ATOM 241 HB3 ARG A 16 6.524 -0.720 -3.880 1.00 0.00 H +ATOM 242 HG2 ARG A 16 5.538 -2.059 -2.031 1.00 0.00 H +ATOM 243 HG3 ARG A 16 4.579 -0.652 -1.549 1.00 0.00 H +ATOM 244 HD2 ARG A 16 3.033 -1.774 -2.766 1.00 0.00 H +ATOM 245 HD3 ARG A 16 3.669 -0.765 -4.003 1.00 0.00 H +ATOM 246 HE ARG A 16 3.963 -3.694 -3.698 1.00 0.00 H +ATOM 247 HH11 ARG A 16 5.150 -0.962 -5.521 1.00 0.00 H +ATOM 248 HH12 ARG A 16 5.761 -1.962 -6.815 1.00 0.00 H +ATOM 249 HH21 ARG A 16 4.649 -4.894 -5.327 1.00 0.00 H +ATOM 250 HH22 ARG A 16 5.508 -4.205 -6.684 1.00 0.00 H +ATOM 251 N PRO A 17 7.156 2.230 -0.780 1.00 0.00 N +ATOM 252 CA PRO A 17 6.782 3.088 0.345 1.00 0.00 C +ATOM 253 C PRO A 17 5.261 3.331 0.395 1.00 0.00 C +ATOM 254 O PRO A 17 4.586 3.165 -0.624 1.00 0.00 O +ATOM 255 CB PRO A 17 7.554 4.394 0.119 1.00 0.00 C +ATOM 256 CG PRO A 17 7.677 4.474 -1.401 1.00 0.00 C +ATOM 257 CD PRO A 17 7.820 3.010 -1.816 1.00 0.00 C +ATOM 258 HA PRO A 17 7.107 2.628 1.279 1.00 0.00 H +ATOM 259 HB2 PRO A 17 7.009 5.234 0.505 1.00 0.00 H +ATOM 260 HB3 PRO A 17 8.548 4.308 0.561 1.00 0.00 H +ATOM 261 HG2 PRO A 17 6.800 4.914 -1.836 1.00 0.00 H +ATOM 262 HG3 PRO A 17 8.540 5.066 -1.707 1.00 0.00 H +ATOM 263 HD2 PRO A 17 7.349 2.844 -2.766 1.00 0.00 H +ATOM 264 HD3 PRO A 17 8.876 2.739 -1.855 1.00 0.00 H +ATOM 265 N PRO A 18 4.710 3.739 1.555 1.00 0.00 N +ATOM 266 CA PRO A 18 3.287 4.031 1.686 1.00 0.00 C +ATOM 267 C PRO A 18 2.901 5.305 0.913 1.00 0.00 C +ATOM 268 O PRO A 18 3.684 6.256 0.871 1.00 0.00 O +ATOM 269 CB PRO A 18 3.035 4.190 3.187 1.00 0.00 C +ATOM 270 CG PRO A 18 4.385 4.655 3.729 1.00 0.00 C +ATOM 271 CD PRO A 18 5.393 3.949 2.823 1.00 0.00 C +ATOM 272 HA PRO A 18 2.719 3.181 1.316 1.00 0.00 H +ATOM 273 HB2 PRO A 18 2.274 4.924 3.372 1.00 0.00 H +ATOM 274 HB3 PRO A 18 2.781 3.223 3.618 1.00 0.00 H +ATOM 275 HG2 PRO A 18 4.482 5.721 3.654 1.00 0.00 H +ATOM 276 HG3 PRO A 18 4.518 4.377 4.775 1.00 0.00 H +ATOM 277 HD2 PRO A 18 6.262 4.562 2.682 1.00 0.00 H +ATOM 278 HD3 PRO A 18 5.662 2.983 3.253 1.00 0.00 H +ATOM 279 N PRO A 19 1.688 5.360 0.336 1.00 0.00 N +ATOM 280 CA PRO A 19 1.185 6.543 -0.353 1.00 0.00 C +ATOM 281 C PRO A 19 0.715 7.607 0.655 1.00 0.00 C +ATOM 282 O PRO A 19 -0.124 7.324 1.513 1.00 0.00 O +ATOM 283 CB PRO A 19 0.048 6.014 -1.229 1.00 0.00 C +ATOM 284 CG PRO A 19 -0.519 4.852 -0.412 1.00 0.00 C +ATOM 285 CD PRO A 19 0.716 4.275 0.272 1.00 0.00 C +ATOM 286 HA PRO A 19 1.961 6.966 -0.991 1.00 0.00 H +ATOM 287 HB2 PRO A 19 -0.697 6.770 -1.389 1.00 0.00 H +ATOM 288 HB3 PRO A 19 0.463 5.630 -2.162 1.00 0.00 H +ATOM 289 HG2 PRO A 19 -1.232 5.201 0.310 1.00 0.00 H +ATOM 290 HG3 PRO A 19 -1.019 4.114 -1.041 1.00 0.00 H +ATOM 291 HD2 PRO A 19 0.470 3.937 1.260 1.00 0.00 H +ATOM 292 HD3 PRO A 19 1.121 3.461 -0.329 1.00 0.00 H +ATOM 293 N SER A 20 1.271 8.822 0.549 1.00 0.00 N +ATOM 294 CA SER A 20 0.852 10.027 1.285 1.00 0.00 C +ATOM 295 C SER A 20 -0.406 10.657 0.683 1.00 0.00 C +ATOM 296 O SER A 20 -0.387 10.916 -0.540 1.00 0.00 O +ATOM 297 CB SER A 20 1.972 11.071 1.284 1.00 0.00 C +ATOM 298 OG SER A 20 3.120 10.541 1.911 1.00 0.00 O +ATOM 299 OXT SER A 20 -1.341 10.903 1.473 1.00 0.00 O +ATOM 300 H SER A 20 1.969 8.961 -0.165 1.00 0.00 H +ATOM 301 HA SER A 20 0.601 9.760 2.310 1.00 0.00 H +ATOM 302 HB2 SER A 20 2.210 11.338 0.272 1.00 0.00 H +ATOM 303 HB3 SER A 20 1.636 11.959 1.824 1.00 0.00 H +ATOM 304 HG SER A 20 2.831 10.040 2.676 1.00 0.00 H +TER 305 SER A 20 +ENDMDL +MODEL 2 +ATOM 1 N ASN A 1 -6.919 6.901 0.917 1.00 0.00 N +ATOM 2 CA ASN A 1 -7.682 6.025 -0.010 1.00 0.00 C +ATOM 3 C ASN A 1 -6.840 4.889 -0.589 1.00 0.00 C +ATOM 4 O ASN A 1 -7.106 3.741 -0.253 1.00 0.00 O +ATOM 5 CB ASN A 1 -8.428 6.847 -1.072 1.00 0.00 C +ATOM 6 CG ASN A 1 -9.504 7.659 -0.362 1.00 0.00 C +ATOM 7 OD1 ASN A 1 -9.180 8.568 0.382 1.00 0.00 O +ATOM 8 ND2 ASN A 1 -10.768 7.290 -0.468 1.00 0.00 N +ATOM 9 H1 ASN A 1 -6.513 6.358 1.667 1.00 0.00 H +ATOM 10 H2 ASN A 1 -6.191 7.398 0.422 1.00 0.00 H +ATOM 11 H3 ASN A 1 -7.553 7.592 1.308 1.00 0.00 H +ATOM 12 HA ASN A 1 -8.451 5.523 0.581 1.00 0.00 H +ATOM 13 HB2 ASN A 1 -7.743 7.506 -1.571 1.00 0.00 H +ATOM 14 HB3 ASN A 1 -8.886 6.189 -1.811 1.00 0.00 H +ATOM 15 HD21 ASN A 1 -11.078 6.519 -1.037 1.00 0.00 H +ATOM 16 HD22 ASN A 1 -11.417 7.848 0.064 1.00 0.00 H +ATOM 17 N LEU A 2 -5.819 5.175 -1.412 1.00 0.00 N +ATOM 18 CA LEU A 2 -5.020 4.162 -2.130 1.00 0.00 C +ATOM 19 C LEU A 2 -4.244 3.179 -1.224 1.00 0.00 C +ATOM 20 O LEU A 2 -3.761 2.148 -1.693 1.00 0.00 O +ATOM 21 CB LEU A 2 -4.073 4.863 -3.128 1.00 0.00 C +ATOM 22 CG LEU A 2 -4.831 5.608 -4.250 1.00 0.00 C +ATOM 23 CD1 LEU A 2 -5.010 7.109 -3.963 1.00 0.00 C +ATOM 24 CD2 LEU A 2 -4.110 5.465 -5.592 1.00 0.00 C +ATOM 25 H LEU A 2 -5.631 6.133 -1.665 1.00 0.00 H +ATOM 26 HA LEU A 2 -5.709 3.545 -2.710 1.00 0.00 H +ATOM 27 HB2 LEU A 2 -3.472 5.572 -2.591 1.00 0.00 H +ATOM 28 HB3 LEU A 2 -3.451 4.089 -3.583 1.00 0.00 H +ATOM 29 HG LEU A 2 -5.820 5.160 -4.359 1.00 0.00 H +ATOM 30 HD11 LEU A 2 -5.173 7.303 -2.907 1.00 0.00 H +ATOM 31 HD12 LEU A 2 -4.124 7.663 -4.273 1.00 0.00 H +ATOM 32 HD13 LEU A 2 -5.867 7.480 -4.526 1.00 0.00 H +ATOM 33 HD21 LEU A 2 -3.114 5.904 -5.535 1.00 0.00 H +ATOM 34 HD22 LEU A 2 -4.023 4.410 -5.855 1.00 0.00 H +ATOM 35 HD23 LEU A 2 -4.683 5.969 -6.371 1.00 0.00 H +ATOM 36 N TYR A 3 -4.181 3.456 0.082 1.00 0.00 N +ATOM 37 CA TYR A 3 -3.537 2.636 1.105 1.00 0.00 C +ATOM 38 C TYR A 3 -4.038 1.181 1.139 1.00 0.00 C +ATOM 39 O TYR A 3 -3.259 0.273 1.413 1.00 0.00 O +ATOM 40 CB TYR A 3 -3.727 3.313 2.471 1.00 0.00 C +ATOM 41 CG TYR A 3 -2.520 3.154 3.365 1.00 0.00 C +ATOM 42 CD1 TYR A 3 -2.382 2.007 4.169 1.00 0.00 C +ATOM 43 CD2 TYR A 3 -1.514 4.139 3.357 1.00 0.00 C +ATOM 44 CE1 TYR A 3 -1.233 1.840 4.963 1.00 0.00 C +ATOM 45 CE2 TYR A 3 -0.365 3.977 4.149 1.00 0.00 C +ATOM 46 CZ TYR A 3 -0.218 2.820 4.947 1.00 0.00 C +ATOM 47 OH TYR A 3 0.909 2.639 5.687 1.00 0.00 O +ATOM 48 H TYR A 3 -4.618 4.309 0.378 1.00 0.00 H +ATOM 49 HA TYR A 3 -2.470 2.610 0.881 1.00 0.00 H +ATOM 50 HB2 TYR A 3 -3.905 4.360 2.315 1.00 0.00 H +ATOM 51 HB3 TYR A 3 -4.610 2.907 2.968 1.00 0.00 H +ATOM 52 HD1 TYR A 3 -3.154 1.253 4.165 1.00 0.00 H +ATOM 53 HD2 TYR A 3 -1.614 5.025 2.743 1.00 0.00 H +ATOM 54 HE1 TYR A 3 -1.110 0.964 5.579 1.00 0.00 H +ATOM 55 HE2 TYR A 3 0.390 4.746 4.148 1.00 0.00 H +ATOM 56 HH TYR A 3 1.602 3.248 5.433 1.00 0.00 H +ATOM 57 N ILE A 4 -5.316 0.947 0.804 1.00 0.00 N +ATOM 58 CA ILE A 4 -5.914 -0.393 0.686 1.00 0.00 C +ATOM 59 C ILE A 4 -5.157 -1.200 -0.382 1.00 0.00 C +ATOM 60 O ILE A 4 -4.755 -2.338 -0.140 1.00 0.00 O +ATOM 61 CB ILE A 4 -7.421 -0.283 0.330 1.00 0.00 C +ATOM 62 CG1 ILE A 4 -8.214 0.632 1.300 1.00 0.00 C +ATOM 63 CG2 ILE A 4 -8.099 -1.670 0.270 1.00 0.00 C +ATOM 64 CD1 ILE A 4 -9.489 1.191 0.662 1.00 0.00 C +ATOM 65 H ILE A 4 -5.889 1.753 0.580 1.00 0.00 H +ATOM 66 HA ILE A 4 -5.814 -0.911 1.639 1.00 0.00 H +ATOM 67 HB ILE A 4 -7.477 0.157 -0.667 1.00 0.00 H +ATOM 68 HG12 ILE A 4 -8.484 0.062 2.168 1.00 0.00 H +ATOM 69 HG13 ILE A 4 -7.616 1.489 1.603 1.00 0.00 H +ATOM 70 HG21 ILE A 4 -7.421 -2.428 -0.112 1.00 0.00 H +ATOM 71 HG22 ILE A 4 -8.432 -1.979 1.263 1.00 0.00 H +ATOM 72 HG23 ILE A 4 -8.967 -1.620 -0.389 1.00 0.00 H +ATOM 73 HD11 ILE A 4 -9.235 1.742 -0.245 1.00 0.00 H +ATOM 74 HD12 ILE A 4 -10.180 0.385 0.416 1.00 0.00 H +ATOM 75 HD13 ILE A 4 -9.973 1.875 1.360 1.00 0.00 H +ATOM 76 N GLN A 5 -4.948 -0.605 -1.564 1.00 0.00 N +ATOM 77 CA GLN A 5 -4.253 -1.225 -2.692 1.00 0.00 C +ATOM 78 C GLN A 5 -2.763 -1.444 -2.393 1.00 0.00 C +ATOM 79 O GLN A 5 -2.186 -2.435 -2.832 1.00 0.00 O +ATOM 80 CB GLN A 5 -4.443 -0.345 -3.944 1.00 0.00 C +ATOM 81 CG GLN A 5 -4.608 -1.157 -5.242 1.00 0.00 C +ATOM 82 CD GLN A 5 -5.950 -0.859 -5.909 1.00 0.00 C +ATOM 83 OE1 GLN A 5 -6.138 0.164 -6.544 1.00 0.00 O +ATOM 84 NE2 GLN A 5 -6.941 -1.718 -5.770 1.00 0.00 N +ATOM 85 H GLN A 5 -5.217 0.365 -1.657 1.00 0.00 H +ATOM 86 HA GLN A 5 -4.707 -2.201 -2.864 1.00 0.00 H +ATOM 87 HB2 GLN A 5 -5.320 0.258 -3.806 1.00 0.00 H +ATOM 88 HB3 GLN A 5 -3.591 0.328 -4.050 1.00 0.00 H +ATOM 89 HG2 GLN A 5 -3.816 -0.901 -5.919 1.00 0.00 H +ATOM 90 HG3 GLN A 5 -4.525 -2.228 -5.051 1.00 0.00 H +ATOM 91 HE21 GLN A 5 -6.847 -2.590 -5.280 1.00 0.00 H +ATOM 92 HE22 GLN A 5 -7.781 -1.439 -6.247 1.00 0.00 H +ATOM 93 N TRP A 6 -2.145 -0.549 -1.610 1.00 0.00 N +ATOM 94 CA TRP A 6 -0.791 -0.749 -1.090 1.00 0.00 C +ATOM 95 C TRP A 6 -0.713 -1.909 -0.084 1.00 0.00 C +ATOM 96 O TRP A 6 0.161 -2.766 -0.210 1.00 0.00 O +ATOM 97 CB TRP A 6 -0.266 0.564 -0.501 1.00 0.00 C +ATOM 98 CG TRP A 6 1.149 0.501 -0.014 1.00 0.00 C +ATOM 99 CD1 TRP A 6 2.254 0.539 -0.795 1.00 0.00 C +ATOM 100 CD2 TRP A 6 1.637 0.388 1.358 1.00 0.00 C +ATOM 101 NE1 TRP A 6 3.382 0.433 -0.006 1.00 0.00 N +ATOM 102 CE2 TRP A 6 3.062 0.366 1.327 1.00 0.00 C +ATOM 103 CE3 TRP A 6 1.023 0.313 2.627 1.00 0.00 C +ATOM 104 CZ2 TRP A 6 3.844 0.308 2.487 1.00 0.00 C +ATOM 105 CZ3 TRP A 6 1.800 0.231 3.799 1.00 0.00 C +ATOM 106 CH2 TRP A 6 3.205 0.246 3.733 1.00 0.00 C +ATOM 107 H TRP A 6 -2.669 0.277 -1.341 1.00 0.00 H +ATOM 108 HA TRP A 6 -0.144 -1.024 -1.920 1.00 0.00 H +ATOM 109 HB2 TRP A 6 -0.327 1.320 -1.260 1.00 0.00 H +ATOM 110 HB3 TRP A 6 -0.903 0.868 0.329 1.00 0.00 H +ATOM 111 HD1 TRP A 6 2.260 0.636 -1.868 1.00 0.00 H +ATOM 112 HE1 TRP A 6 4.347 0.425 -0.348 1.00 0.00 H +ATOM 113 HE3 TRP A 6 -0.055 0.327 2.692 1.00 0.00 H +ATOM 114 HZ2 TRP A 6 4.922 0.297 2.403 1.00 0.00 H +ATOM 115 HZ3 TRP A 6 1.315 0.170 4.763 1.00 0.00 H +ATOM 116 HH2 TRP A 6 3.791 0.201 4.639 1.00 0.00 H +ATOM 117 N LEU A 7 -1.646 -1.992 0.877 1.00 0.00 N +ATOM 118 CA LEU A 7 -1.701 -3.105 1.831 1.00 0.00 C +ATOM 119 C LEU A 7 -1.917 -4.465 1.152 1.00 0.00 C +ATOM 120 O LEU A 7 -1.290 -5.437 1.570 1.00 0.00 O +ATOM 121 CB LEU A 7 -2.777 -2.856 2.905 1.00 0.00 C +ATOM 122 CG LEU A 7 -2.370 -1.808 3.958 1.00 0.00 C +ATOM 123 CD1 LEU A 7 -3.595 -1.444 4.805 1.00 0.00 C +ATOM 124 CD2 LEU A 7 -1.255 -2.296 4.897 1.00 0.00 C +ATOM 125 H LEU A 7 -2.325 -1.238 0.964 1.00 0.00 H +ATOM 126 HA LEU A 7 -0.726 -3.167 2.315 1.00 0.00 H +ATOM 127 HB2 LEU A 7 -3.670 -2.517 2.417 1.00 0.00 H +ATOM 128 HB3 LEU A 7 -2.988 -3.793 3.422 1.00 0.00 H +ATOM 129 HG LEU A 7 -2.023 -0.911 3.448 1.00 0.00 H +ATOM 130 HD11 LEU A 7 -4.368 -1.013 4.171 1.00 0.00 H +ATOM 131 HD12 LEU A 7 -3.990 -2.337 5.292 1.00 0.00 H +ATOM 132 HD13 LEU A 7 -3.314 -0.721 5.570 1.00 0.00 H +ATOM 133 HD21 LEU A 7 -1.674 -2.706 5.816 1.00 0.00 H +ATOM 134 HD22 LEU A 7 -0.651 -3.072 4.431 1.00 0.00 H +ATOM 135 HD23 LEU A 7 -0.606 -1.459 5.148 1.00 0.00 H +ATOM 136 N LYS A 8 -2.727 -4.538 0.081 1.00 0.00 N +ATOM 137 CA LYS A 8 -2.916 -5.759 -0.732 1.00 0.00 C +ATOM 138 C LYS A 8 -1.597 -6.366 -1.231 1.00 0.00 C +ATOM 139 O LYS A 8 -1.499 -7.582 -1.342 1.00 0.00 O +ATOM 140 CB LYS A 8 -3.803 -5.459 -1.952 1.00 0.00 C +ATOM 141 CG LYS A 8 -5.289 -5.218 -1.653 1.00 0.00 C +ATOM 142 CD LYS A 8 -6.117 -6.512 -1.588 1.00 0.00 C +ATOM 143 CE LYS A 8 -7.591 -6.248 -1.927 1.00 0.00 C +ATOM 144 NZ LYS A 8 -8.242 -5.337 -0.956 1.00 0.00 N +ATOM 145 H LYS A 8 -3.244 -3.695 -0.159 1.00 0.00 H +ATOM 146 HA LYS A 8 -3.390 -6.527 -0.119 1.00 0.00 H +ATOM 147 HB2 LYS A 8 -3.417 -4.581 -2.432 1.00 0.00 H +ATOM 148 HB3 LYS A 8 -3.718 -6.282 -2.665 1.00 0.00 H +ATOM 149 HG2 LYS A 8 -5.369 -4.715 -0.708 1.00 0.00 H +ATOM 150 HG3 LYS A 8 -5.682 -4.593 -2.456 1.00 0.00 H +ATOM 151 HD2 LYS A 8 -5.718 -7.218 -2.290 1.00 0.00 H +ATOM 152 HD3 LYS A 8 -6.028 -6.959 -0.595 1.00 0.00 H +ATOM 153 HE2 LYS A 8 -7.646 -5.806 -2.903 1.00 0.00 H +ATOM 154 HE3 LYS A 8 -8.119 -7.204 -1.955 1.00 0.00 H +ATOM 155 HZ1 LYS A 8 -8.219 -5.741 -0.030 1.00 0.00 H +ATOM 156 HZ2 LYS A 8 -7.756 -4.452 -0.934 1.00 0.00 H +ATOM 157 HZ3 LYS A 8 -9.207 -5.176 -1.217 1.00 0.00 H +ATOM 158 N ASP A 9 -0.598 -5.528 -1.520 1.00 0.00 N +ATOM 159 CA ASP A 9 0.739 -5.926 -1.971 1.00 0.00 C +ATOM 160 C ASP A 9 1.608 -6.494 -0.823 1.00 0.00 C +ATOM 161 O ASP A 9 2.705 -7.002 -1.069 1.00 0.00 O +ATOM 162 CB ASP A 9 1.387 -4.675 -2.604 1.00 0.00 C +ATOM 163 CG ASP A 9 2.379 -4.929 -3.745 1.00 0.00 C +ATOM 164 OD1 ASP A 9 2.947 -6.037 -3.844 1.00 0.00 O +ATOM 165 OD2 ASP A 9 2.565 -3.967 -4.523 1.00 0.00 O +ATOM 166 H ASP A 9 -0.766 -4.537 -1.399 1.00 0.00 H +ATOM 167 HA ASP A 9 0.643 -6.697 -2.737 1.00 0.00 H +ATOM 168 HB2 ASP A 9 0.598 -4.057 -2.988 1.00 0.00 H +ATOM 169 HB3 ASP A 9 1.882 -4.089 -1.828 1.00 0.00 H +ATOM 170 N GLY A 10 1.186 -6.365 0.446 1.00 0.00 N +ATOM 171 CA GLY A 10 1.973 -6.740 1.632 1.00 0.00 C +ATOM 172 C GLY A 10 2.532 -5.564 2.451 1.00 0.00 C +ATOM 173 O GLY A 10 3.354 -5.783 3.347 1.00 0.00 O +ATOM 174 H GLY A 10 0.256 -5.985 0.605 1.00 0.00 H +ATOM 175 HA2 GLY A 10 1.333 -7.328 2.291 1.00 0.00 H +ATOM 176 HA3 GLY A 10 2.812 -7.373 1.342 1.00 0.00 H +ATOM 177 N GLY A 11 2.105 -4.325 2.171 1.00 0.00 N +ATOM 178 CA GLY A 11 2.505 -3.133 2.918 1.00 0.00 C +ATOM 179 C GLY A 11 4.031 -2.908 2.926 1.00 0.00 C +ATOM 180 O GLY A 11 4.638 -2.849 1.855 1.00 0.00 O +ATOM 181 H GLY A 11 1.516 -4.204 1.357 1.00 0.00 H +ATOM 182 HA2 GLY A 11 2.038 -2.263 2.459 1.00 0.00 H +ATOM 183 HA3 GLY A 11 2.123 -3.226 3.932 1.00 0.00 H +ATOM 184 N PRO A 12 4.693 -2.777 4.097 1.00 0.00 N +ATOM 185 CA PRO A 12 6.148 -2.595 4.163 1.00 0.00 C +ATOM 186 C PRO A 12 6.957 -3.724 3.506 1.00 0.00 C +ATOM 187 O PRO A 12 8.099 -3.504 3.110 1.00 0.00 O +ATOM 188 CB PRO A 12 6.499 -2.497 5.652 1.00 0.00 C +ATOM 189 CG PRO A 12 5.185 -2.111 6.326 1.00 0.00 C +ATOM 190 CD PRO A 12 4.127 -2.769 5.441 1.00 0.00 C +ATOM 191 HA PRO A 12 6.400 -1.655 3.673 1.00 0.00 H +ATOM 192 HB2 PRO A 12 6.853 -3.440 6.022 1.00 0.00 H +ATOM 193 HB3 PRO A 12 7.273 -1.749 5.829 1.00 0.00 H +ATOM 194 HG2 PRO A 12 5.140 -2.494 7.327 1.00 0.00 H +ATOM 195 HG3 PRO A 12 5.066 -1.027 6.297 1.00 0.00 H +ATOM 196 HD2 PRO A 12 3.932 -3.771 5.772 1.00 0.00 H +ATOM 197 HD3 PRO A 12 3.200 -2.199 5.491 1.00 0.00 H +ATOM 198 N SER A 13 6.381 -4.927 3.375 1.00 0.00 N +ATOM 199 CA SER A 13 7.056 -6.106 2.818 1.00 0.00 C +ATOM 200 C SER A 13 7.017 -6.159 1.275 1.00 0.00 C +ATOM 201 O SER A 13 7.448 -7.142 0.680 1.00 0.00 O +ATOM 202 CB SER A 13 6.474 -7.366 3.479 1.00 0.00 C +ATOM 203 OG SER A 13 7.471 -8.354 3.649 1.00 0.00 O +ATOM 204 H SER A 13 5.406 -5.030 3.647 1.00 0.00 H +ATOM 205 HA SER A 13 8.108 -6.044 3.095 1.00 0.00 H +ATOM 206 HB2 SER A 13 6.071 -7.105 4.439 1.00 0.00 H +ATOM 207 HB3 SER A 13 5.651 -7.761 2.885 1.00 0.00 H +ATOM 208 HG SER A 13 8.161 -8.011 4.225 1.00 0.00 H +ATOM 209 N SER A 14 6.529 -5.095 0.619 1.00 0.00 N +ATOM 210 CA SER A 14 6.302 -5.007 -0.834 1.00 0.00 C +ATOM 211 C SER A 14 7.350 -4.180 -1.591 1.00 0.00 C +ATOM 212 O SER A 14 7.202 -3.947 -2.792 1.00 0.00 O +ATOM 213 CB SER A 14 4.935 -4.369 -1.091 1.00 0.00 C +ATOM 214 OG SER A 14 3.965 -4.957 -0.265 1.00 0.00 O +ATOM 215 H SER A 14 6.105 -4.361 1.178 1.00 0.00 H +ATOM 216 HA SER A 14 6.289 -6.011 -1.260 1.00 0.00 H +ATOM 217 HB2 SER A 14 4.989 -3.318 -0.882 1.00 0.00 H +ATOM 218 HB3 SER A 14 4.656 -4.489 -2.138 1.00 0.00 H +ATOM 219 HG SER A 14 3.647 -5.806 -0.666 1.00 0.00 H +ATOM 220 N GLY A 15 8.373 -3.654 -0.908 1.00 0.00 N +ATOM 221 CA GLY A 15 9.445 -2.839 -1.497 1.00 0.00 C +ATOM 222 C GLY A 15 9.049 -1.393 -1.840 1.00 0.00 C +ATOM 223 O GLY A 15 9.855 -0.483 -1.659 1.00 0.00 O +ATOM 224 H GLY A 15 8.407 -3.857 0.081 1.00 0.00 H +ATOM 225 HA2 GLY A 15 10.287 -2.809 -0.807 1.00 0.00 H +ATOM 226 HA3 GLY A 15 9.786 -3.320 -2.417 1.00 0.00 H +ATOM 227 N ARG A 16 7.819 -1.163 -2.323 1.00 0.00 N +ATOM 228 CA ARG A 16 7.267 0.167 -2.623 1.00 0.00 C +ATOM 229 C ARG A 16 6.861 0.912 -1.332 1.00 0.00 C +ATOM 230 O ARG A 16 6.127 0.334 -0.526 1.00 0.00 O +ATOM 231 CB ARG A 16 6.068 -0.003 -3.571 1.00 0.00 C +ATOM 232 CG ARG A 16 5.414 1.333 -3.977 1.00 0.00 C +ATOM 233 CD ARG A 16 4.325 1.183 -5.049 1.00 0.00 C +ATOM 234 NE ARG A 16 3.153 0.425 -4.574 1.00 0.00 N +ATOM 235 CZ ARG A 16 2.950 -0.885 -4.652 1.00 0.00 C +ATOM 236 NH1 ARG A 16 3.781 -1.719 -5.224 1.00 0.00 N +ATOM 237 NH2 ARG A 16 1.882 -1.432 -4.137 1.00 0.00 N +ATOM 238 H ARG A 16 7.253 -1.991 -2.486 1.00 0.00 H +ATOM 239 HA ARG A 16 8.044 0.730 -3.139 1.00 0.00 H +ATOM 240 HB2 ARG A 16 6.405 -0.501 -4.460 1.00 0.00 H +ATOM 241 HB3 ARG A 16 5.323 -0.632 -3.081 1.00 0.00 H +ATOM 242 HG2 ARG A 16 4.972 1.774 -3.104 1.00 0.00 H +ATOM 243 HG3 ARG A 16 6.184 1.994 -4.374 1.00 0.00 H +ATOM 244 HD2 ARG A 16 4.002 2.161 -5.348 1.00 0.00 H +ATOM 245 HD3 ARG A 16 4.750 0.718 -5.940 1.00 0.00 H +ATOM 246 HE ARG A 16 2.420 0.960 -4.143 1.00 0.00 H +ATOM 247 HH11 ARG A 16 4.628 -1.423 -5.666 1.00 0.00 H +ATOM 248 HH12 ARG A 16 3.523 -2.718 -5.142 1.00 0.00 H +ATOM 249 HH21 ARG A 16 1.142 -0.941 -3.681 1.00 0.00 H +ATOM 250 HH22 ARG A 16 1.880 -2.460 -4.219 1.00 0.00 H +ATOM 251 N PRO A 17 7.251 2.191 -1.139 1.00 0.00 N +ATOM 252 CA PRO A 17 6.871 2.981 0.038 1.00 0.00 C +ATOM 253 C PRO A 17 5.351 3.255 0.119 1.00 0.00 C +ATOM 254 O PRO A 17 4.652 3.132 -0.890 1.00 0.00 O +ATOM 255 CB PRO A 17 7.673 4.286 -0.077 1.00 0.00 C +ATOM 256 CG PRO A 17 7.906 4.435 -1.577 1.00 0.00 C +ATOM 257 CD PRO A 17 8.086 2.989 -2.028 1.00 0.00 C +ATOM 258 HA PRO A 17 7.180 2.447 0.936 1.00 0.00 H +ATOM 259 HB2 PRO A 17 7.111 5.116 0.307 1.00 0.00 H +ATOM 260 HB3 PRO A 17 8.633 4.169 0.430 1.00 0.00 H +ATOM 261 HG2 PRO A 17 7.061 4.889 -2.058 1.00 0.00 H +ATOM 262 HG3 PRO A 17 8.783 5.042 -1.795 1.00 0.00 H +ATOM 263 HD2 PRO A 17 7.767 2.872 -3.046 1.00 0.00 H +ATOM 264 HD3 PRO A 17 9.129 2.692 -1.905 1.00 0.00 H +ATOM 265 N PRO A 18 4.829 3.643 1.300 1.00 0.00 N +ATOM 266 CA PRO A 18 3.403 3.904 1.495 1.00 0.00 C +ATOM 267 C PRO A 18 2.923 5.149 0.722 1.00 0.00 C +ATOM 268 O PRO A 18 3.644 6.147 0.672 1.00 0.00 O +ATOM 269 CB PRO A 18 3.222 4.081 3.006 1.00 0.00 C +ATOM 270 CG PRO A 18 4.595 4.541 3.490 1.00 0.00 C +ATOM 271 CD PRO A 18 5.551 3.810 2.554 1.00 0.00 C +ATOM 272 HA PRO A 18 2.843 3.030 1.174 1.00 0.00 H +ATOM 273 HB2 PRO A 18 2.475 4.822 3.217 1.00 0.00 H +ATOM 274 HB3 PRO A 18 2.979 3.120 3.459 1.00 0.00 H +ATOM 275 HG2 PRO A 18 4.701 5.605 3.396 1.00 0.00 H +ATOM 276 HG3 PRO A 18 4.768 4.278 4.535 1.00 0.00 H +ATOM 277 HD2 PRO A 18 6.440 4.391 2.399 1.00 0.00 H +ATOM 278 HD3 PRO A 18 5.790 2.828 2.968 1.00 0.00 H +ATOM 279 N PRO A 19 1.700 5.129 0.152 1.00 0.00 N +ATOM 280 CA PRO A 19 1.125 6.268 -0.557 1.00 0.00 C +ATOM 281 C PRO A 19 0.575 7.306 0.435 1.00 0.00 C +ATOM 282 O PRO A 19 -0.344 7.009 1.205 1.00 0.00 O +ATOM 283 CB PRO A 19 0.028 5.669 -1.440 1.00 0.00 C +ATOM 284 CG PRO A 19 -0.475 4.478 -0.625 1.00 0.00 C +ATOM 285 CD PRO A 19 0.782 3.998 0.106 1.00 0.00 C +ATOM 286 HA PRO A 19 1.879 6.738 -1.190 1.00 0.00 H +ATOM 287 HB2 PRO A 19 -0.759 6.379 -1.608 1.00 0.00 H +ATOM 288 HB3 PRO A 19 0.474 5.307 -2.369 1.00 0.00 H +ATOM 289 HG2 PRO A 19 -1.233 4.781 0.071 1.00 0.00 H +ATOM 290 HG3 PRO A 19 -0.891 3.701 -1.265 1.00 0.00 H +ATOM 291 HD2 PRO A 19 0.533 3.683 1.101 1.00 0.00 H +ATOM 292 HD3 PRO A 19 1.245 3.191 -0.461 1.00 0.00 H +ATOM 293 N SER A 20 1.145 8.513 0.410 1.00 0.00 N +ATOM 294 CA SER A 20 0.696 9.699 1.148 1.00 0.00 C +ATOM 295 C SER A 20 -0.231 10.590 0.317 1.00 0.00 C +ATOM 296 O SER A 20 -1.174 11.122 0.943 1.00 0.00 O +ATOM 297 CB SER A 20 1.911 10.475 1.671 1.00 0.00 C +ATOM 298 OG SER A 20 2.908 10.615 0.673 1.00 0.00 O +ATOM 299 OXT SER A 20 -0.010 10.716 -0.908 1.00 0.00 O +ATOM 300 H SER A 20 1.907 8.704 -0.228 1.00 0.00 H +ATOM 301 HA SER A 20 0.105 9.384 2.006 1.00 0.00 H +ATOM 302 HB2 SER A 20 1.593 11.450 1.985 1.00 0.00 H +ATOM 303 HB3 SER A 20 2.334 9.927 2.515 1.00 0.00 H +ATOM 304 HG SER A 20 3.569 11.243 0.968 1.00 0.00 H +TER 305 SER A 20 +ENDMDL +MODEL 3 +ATOM 1 N ASN A 1 -6.589 7.754 -0.571 1.00 0.00 N +ATOM 2 CA ASN A 1 -7.389 6.514 -0.405 1.00 0.00 C +ATOM 3 C ASN A 1 -6.780 5.255 -1.052 1.00 0.00 C +ATOM 4 O ASN A 1 -7.487 4.266 -1.200 1.00 0.00 O +ATOM 5 CB ASN A 1 -8.845 6.767 -0.857 1.00 0.00 C +ATOM 6 CG ASN A 1 -9.521 7.797 0.047 1.00 0.00 C +ATOM 7 OD1 ASN A 1 -8.922 8.257 1.009 1.00 0.00 O +ATOM 8 ND2 ASN A 1 -10.737 8.213 -0.242 1.00 0.00 N +ATOM 9 H1 ASN A 1 -5.686 7.665 -0.127 1.00 0.00 H +ATOM 10 H2 ASN A 1 -6.476 7.977 -1.550 1.00 0.00 H +ATOM 11 H3 ASN A 1 -7.086 8.512 -0.117 1.00 0.00 H +ATOM 12 HA ASN A 1 -7.439 6.298 0.664 1.00 0.00 H +ATOM 13 HB2 ASN A 1 -8.842 7.132 -1.866 1.00 0.00 H +ATOM 14 HB3 ASN A 1 -9.424 5.843 -0.797 1.00 0.00 H +ATOM 15 HD21 ASN A 1 -11.261 7.891 -1.039 1.00 0.00 H +ATOM 16 HD22 ASN A 1 -11.125 8.874 0.414 1.00 0.00 H +ATOM 17 N LEU A 2 -5.480 5.231 -1.392 1.00 0.00 N +ATOM 18 CA LEU A 2 -4.832 4.056 -2.001 1.00 0.00 C +ATOM 19 C LEU A 2 -4.184 3.091 -0.988 1.00 0.00 C +ATOM 20 O LEU A 2 -3.640 2.061 -1.389 1.00 0.00 O +ATOM 21 CB LEU A 2 -3.822 4.536 -3.062 1.00 0.00 C +ATOM 22 CG LEU A 2 -4.511 4.943 -4.385 1.00 0.00 C +ATOM 23 CD1 LEU A 2 -4.400 6.448 -4.640 1.00 0.00 C +ATOM 24 CD2 LEU A 2 -3.900 4.181 -5.563 1.00 0.00 C +ATOM 25 H LEU A 2 -4.873 6.022 -1.250 1.00 0.00 H +ATOM 26 HA LEU A 2 -5.585 3.455 -2.516 1.00 0.00 H +ATOM 27 HB2 LEU A 2 -3.291 5.384 -2.674 1.00 0.00 H +ATOM 28 HB3 LEU A 2 -3.120 3.726 -3.266 1.00 0.00 H +ATOM 29 HG LEU A 2 -5.571 4.692 -4.345 1.00 0.00 H +ATOM 30 HD11 LEU A 2 -4.890 6.998 -3.839 1.00 0.00 H +ATOM 31 HD12 LEU A 2 -3.352 6.744 -4.701 1.00 0.00 H +ATOM 32 HD13 LEU A 2 -4.890 6.694 -5.582 1.00 0.00 H +ATOM 33 HD21 LEU A 2 -2.824 4.351 -5.605 1.00 0.00 H +ATOM 34 HD22 LEU A 2 -4.093 3.114 -5.443 1.00 0.00 H +ATOM 35 HD23 LEU A 2 -4.353 4.513 -6.498 1.00 0.00 H +ATOM 36 N TYR A 3 -4.252 3.387 0.316 1.00 0.00 N +ATOM 37 CA TYR A 3 -3.584 2.609 1.367 1.00 0.00 C +ATOM 38 C TYR A 3 -4.003 1.131 1.375 1.00 0.00 C +ATOM 39 O TYR A 3 -3.167 0.257 1.584 1.00 0.00 O +ATOM 40 CB TYR A 3 -3.828 3.261 2.737 1.00 0.00 C +ATOM 41 CG TYR A 3 -2.625 3.147 3.649 1.00 0.00 C +ATOM 42 CD1 TYR A 3 -2.431 2.000 4.441 1.00 0.00 C +ATOM 43 CD2 TYR A 3 -1.668 4.180 3.663 1.00 0.00 C +ATOM 44 CE1 TYR A 3 -1.274 1.880 5.234 1.00 0.00 C +ATOM 45 CE2 TYR A 3 -0.512 4.070 4.456 1.00 0.00 C +ATOM 46 CZ TYR A 3 -0.306 2.910 5.235 1.00 0.00 C +ATOM 47 OH TYR A 3 0.828 2.769 5.969 1.00 0.00 O +ATOM 48 H TYR A 3 -4.725 4.233 0.586 1.00 0.00 H +ATOM 49 HA TYR A 3 -2.512 2.640 1.167 1.00 0.00 H +ATOM 50 HB2 TYR A 3 -4.053 4.300 2.590 1.00 0.00 H +ATOM 51 HB3 TYR A 3 -4.698 2.806 3.217 1.00 0.00 H +ATOM 52 HD1 TYR A 3 -3.165 1.208 4.426 1.00 0.00 H +ATOM 53 HD2 TYR A 3 -1.819 5.061 3.058 1.00 0.00 H +ATOM 54 HE1 TYR A 3 -1.103 1.003 5.839 1.00 0.00 H +ATOM 55 HE2 TYR A 3 0.213 4.873 4.463 1.00 0.00 H +ATOM 56 HH TYR A 3 1.448 3.481 5.798 1.00 0.00 H +ATOM 57 N ILE A 4 -5.279 0.849 1.085 1.00 0.00 N +ATOM 58 CA ILE A 4 -5.832 -0.507 0.951 1.00 0.00 C +ATOM 59 C ILE A 4 -5.162 -1.250 -0.218 1.00 0.00 C +ATOM 60 O ILE A 4 -4.774 -2.406 -0.080 1.00 0.00 O +ATOM 61 CB ILE A 4 -7.364 -0.433 0.749 1.00 0.00 C +ATOM 62 CG1 ILE A 4 -8.090 0.338 1.884 1.00 0.00 C +ATOM 63 CG2 ILE A 4 -7.975 -1.842 0.631 1.00 0.00 C +ATOM 64 CD1 ILE A 4 -9.163 1.282 1.326 1.00 0.00 C +ATOM 65 H ILE A 4 -5.896 1.633 0.934 1.00 0.00 H +ATOM 66 HA ILE A 4 -5.625 -1.065 1.865 1.00 0.00 H +ATOM 67 HB ILE A 4 -7.545 0.087 -0.194 1.00 0.00 H +ATOM 68 HG12 ILE A 4 -8.556 -0.369 2.543 1.00 0.00 H +ATOM 69 HG13 ILE A 4 -7.392 0.938 2.466 1.00 0.00 H +ATOM 70 HG21 ILE A 4 -7.611 -2.347 -0.263 1.00 0.00 H +ATOM 71 HG22 ILE A 4 -7.710 -2.438 1.506 1.00 0.00 H +ATOM 72 HG23 ILE A 4 -9.061 -1.773 0.565 1.00 0.00 H +ATOM 73 HD11 ILE A 4 -8.695 2.037 0.690 1.00 0.00 H +ATOM 74 HD12 ILE A 4 -9.891 0.720 0.741 1.00 0.00 H +ATOM 75 HD13 ILE A 4 -9.673 1.781 2.148 1.00 0.00 H +ATOM 76 N GLN A 5 -5.009 -0.575 -1.365 1.00 0.00 N +ATOM 77 CA GLN A 5 -4.335 -1.103 -2.553 1.00 0.00 C +ATOM 78 C GLN A 5 -2.863 -1.419 -2.249 1.00 0.00 C +ATOM 79 O GLN A 5 -2.395 -2.511 -2.553 1.00 0.00 O +ATOM 80 CB GLN A 5 -4.497 -0.107 -3.724 1.00 0.00 C +ATOM 81 CG GLN A 5 -4.929 -0.785 -5.036 1.00 0.00 C +ATOM 82 CD GLN A 5 -3.943 -1.843 -5.517 1.00 0.00 C +ATOM 83 OE1 GLN A 5 -4.193 -3.032 -5.373 1.00 0.00 O +ATOM 84 NE2 GLN A 5 -2.824 -1.457 -6.094 1.00 0.00 N +ATOM 85 H GLN A 5 -5.260 0.403 -1.368 1.00 0.00 H +ATOM 86 HA GLN A 5 -4.818 -2.043 -2.816 1.00 0.00 H +ATOM 87 HB2 GLN A 5 -5.239 0.620 -3.454 1.00 0.00 H +ATOM 88 HB3 GLN A 5 -3.566 0.435 -3.888 1.00 0.00 H +ATOM 89 HG2 GLN A 5 -5.882 -1.252 -4.881 1.00 0.00 H +ATOM 90 HG3 GLN A 5 -5.049 -0.026 -5.809 1.00 0.00 H +ATOM 91 HE21 GLN A 5 -2.586 -0.491 -6.238 1.00 0.00 H +ATOM 92 HE22 GLN A 5 -2.170 -2.206 -6.277 1.00 0.00 H +ATOM 93 N TRP A 6 -2.154 -0.497 -1.588 1.00 0.00 N +ATOM 94 CA TRP A 6 -0.771 -0.717 -1.152 1.00 0.00 C +ATOM 95 C TRP A 6 -0.632 -1.844 -0.111 1.00 0.00 C +ATOM 96 O TRP A 6 0.256 -2.687 -0.229 1.00 0.00 O +ATOM 97 CB TRP A 6 -0.212 0.604 -0.620 1.00 0.00 C +ATOM 98 CG TRP A 6 1.197 0.514 -0.129 1.00 0.00 C +ATOM 99 CD1 TRP A 6 2.296 0.452 -0.915 1.00 0.00 C +ATOM 100 CD2 TRP A 6 1.679 0.425 1.247 1.00 0.00 C +ATOM 101 NE1 TRP A 6 3.420 0.332 -0.121 1.00 0.00 N +ATOM 102 CE2 TRP A 6 3.101 0.324 1.215 1.00 0.00 C +ATOM 103 CE3 TRP A 6 1.066 0.422 2.519 1.00 0.00 C +ATOM 104 CZ2 TRP A 6 3.882 0.249 2.375 1.00 0.00 C +ATOM 105 CZ3 TRP A 6 1.839 0.334 3.694 1.00 0.00 C +ATOM 106 CH2 TRP A 6 3.243 0.260 3.625 1.00 0.00 C +ATOM 107 H TRP A 6 -2.607 0.391 -1.386 1.00 0.00 H +ATOM 108 HA TRP A 6 -0.178 -1.016 -2.020 1.00 0.00 H +ATOM 109 HB2 TRP A 6 -0.248 1.329 -1.411 1.00 0.00 H +ATOM 110 HB3 TRP A 6 -0.841 0.958 0.197 1.00 0.00 H +ATOM 111 HD1 TRP A 6 2.289 0.483 -1.998 1.00 0.00 H +ATOM 112 HE1 TRP A 6 4.387 0.296 -0.451 1.00 0.00 H +ATOM 113 HE3 TRP A 6 -0.010 0.498 2.586 1.00 0.00 H +ATOM 114 HZ2 TRP A 6 4.957 0.179 2.290 1.00 0.00 H +ATOM 115 HZ3 TRP A 6 1.352 0.341 4.659 1.00 0.00 H +ATOM 116 HH2 TRP A 6 3.829 0.212 4.531 1.00 0.00 H +ATOM 117 N LEU A 7 -1.520 -1.904 0.893 1.00 0.00 N +ATOM 118 CA LEU A 7 -1.537 -3.007 1.858 1.00 0.00 C +ATOM 119 C LEU A 7 -1.844 -4.359 1.198 1.00 0.00 C +ATOM 120 O LEU A 7 -1.228 -5.350 1.586 1.00 0.00 O +ATOM 121 CB LEU A 7 -2.520 -2.723 3.008 1.00 0.00 C +ATOM 122 CG LEU A 7 -2.010 -1.728 4.070 1.00 0.00 C +ATOM 123 CD1 LEU A 7 -3.122 -1.497 5.096 1.00 0.00 C +ATOM 124 CD2 LEU A 7 -0.775 -2.236 4.826 1.00 0.00 C +ATOM 125 H LEU A 7 -2.201 -1.155 0.992 1.00 0.00 H +ATOM 126 HA LEU A 7 -0.534 -3.107 2.271 1.00 0.00 H +ATOM 127 HB2 LEU A 7 -3.422 -2.325 2.584 1.00 0.00 H +ATOM 128 HB3 LEU A 7 -2.740 -3.665 3.514 1.00 0.00 H +ATOM 129 HG LEU A 7 -1.763 -0.780 3.597 1.00 0.00 H +ATOM 130 HD11 LEU A 7 -4.006 -1.098 4.599 1.00 0.00 H +ATOM 131 HD12 LEU A 7 -3.380 -2.437 5.585 1.00 0.00 H +ATOM 132 HD13 LEU A 7 -2.791 -0.787 5.854 1.00 0.00 H +ATOM 133 HD21 LEU A 7 -0.973 -3.222 5.249 1.00 0.00 H +ATOM 134 HD22 LEU A 7 0.080 -2.296 4.155 1.00 0.00 H +ATOM 135 HD23 LEU A 7 -0.521 -1.546 5.630 1.00 0.00 H +ATOM 136 N LYS A 8 -2.716 -4.413 0.176 1.00 0.00 N +ATOM 137 CA LYS A 8 -2.930 -5.631 -0.629 1.00 0.00 C +ATOM 138 C LYS A 8 -1.639 -6.169 -1.261 1.00 0.00 C +ATOM 139 O LYS A 8 -1.492 -7.384 -1.349 1.00 0.00 O +ATOM 140 CB LYS A 8 -3.989 -5.413 -1.725 1.00 0.00 C +ATOM 141 CG LYS A 8 -5.424 -5.638 -1.230 1.00 0.00 C +ATOM 142 CD LYS A 8 -6.411 -5.713 -2.404 1.00 0.00 C +ATOM 143 CE LYS A 8 -6.685 -4.341 -3.038 1.00 0.00 C +ATOM 144 NZ LYS A 8 -6.352 -4.311 -4.482 1.00 0.00 N +ATOM 145 H LYS A 8 -3.241 -3.572 -0.051 1.00 0.00 H +ATOM 146 HA LYS A 8 -3.274 -6.422 0.036 1.00 0.00 H +ATOM 147 HB2 LYS A 8 -3.906 -4.405 -2.084 1.00 0.00 H +ATOM 148 HB3 LYS A 8 -3.797 -6.130 -2.525 1.00 0.00 H +ATOM 149 HG2 LYS A 8 -5.464 -6.558 -0.680 1.00 0.00 H +ATOM 150 HG3 LYS A 8 -5.719 -4.846 -0.542 1.00 0.00 H +ATOM 151 HD2 LYS A 8 -6.003 -6.362 -3.154 1.00 0.00 H +ATOM 152 HD3 LYS A 8 -7.356 -6.108 -2.033 1.00 0.00 H +ATOM 153 HE2 LYS A 8 -7.726 -4.108 -2.919 1.00 0.00 H +ATOM 154 HE3 LYS A 8 -6.117 -3.577 -2.500 1.00 0.00 H +ATOM 155 HZ1 LYS A 8 -5.352 -4.135 -4.636 1.00 0.00 H +ATOM 156 HZ2 LYS A 8 -6.602 -5.176 -4.938 1.00 0.00 H +ATOM 157 HZ3 LYS A 8 -6.827 -3.549 -4.942 1.00 0.00 H +ATOM 158 N ASP A 9 -0.694 -5.301 -1.644 1.00 0.00 N +ATOM 159 CA ASP A 9 0.627 -5.715 -2.141 1.00 0.00 C +ATOM 160 C ASP A 9 1.545 -6.280 -1.027 1.00 0.00 C +ATOM 161 O ASP A 9 2.653 -6.733 -1.322 1.00 0.00 O +ATOM 162 CB ASP A 9 1.362 -4.545 -2.833 1.00 0.00 C +ATOM 163 CG ASP A 9 0.631 -3.826 -3.974 1.00 0.00 C +ATOM 164 OD1 ASP A 9 -0.157 -4.486 -4.688 1.00 0.00 O +ATOM 165 OD2 ASP A 9 0.959 -2.631 -4.185 1.00 0.00 O +ATOM 166 H ASP A 9 -0.905 -4.313 -1.586 1.00 0.00 H +ATOM 167 HA ASP A 9 0.482 -6.505 -2.880 1.00 0.00 H +ATOM 168 HB2 ASP A 9 1.582 -3.813 -2.080 1.00 0.00 H +ATOM 169 HB3 ASP A 9 2.279 -4.946 -3.266 1.00 0.00 H +ATOM 170 N GLY A 10 1.135 -6.232 0.250 1.00 0.00 N +ATOM 171 CA GLY A 10 1.917 -6.656 1.417 1.00 0.00 C +ATOM 172 C GLY A 10 2.414 -5.500 2.294 1.00 0.00 C +ATOM 173 O GLY A 10 3.054 -5.736 3.320 1.00 0.00 O +ATOM 174 H GLY A 10 0.200 -5.879 0.438 1.00 0.00 H +ATOM 175 HA2 GLY A 10 1.298 -7.304 2.035 1.00 0.00 H +ATOM 176 HA3 GLY A 10 2.784 -7.233 1.096 1.00 0.00 H +ATOM 177 N GLY A 11 2.142 -4.244 1.916 1.00 0.00 N +ATOM 178 CA GLY A 11 2.643 -3.083 2.643 1.00 0.00 C +ATOM 179 C GLY A 11 4.182 -3.056 2.660 1.00 0.00 C +ATOM 180 O GLY A 11 4.791 -3.197 1.594 1.00 0.00 O +ATOM 181 H GLY A 11 1.623 -4.089 1.059 1.00 0.00 H +ATOM 182 HA2 GLY A 11 2.286 -2.178 2.156 1.00 0.00 H +ATOM 183 HA3 GLY A 11 2.244 -3.115 3.654 1.00 0.00 H +ATOM 184 N PRO A 12 4.842 -2.900 3.832 1.00 0.00 N +ATOM 185 CA PRO A 12 6.302 -2.829 3.917 1.00 0.00 C +ATOM 186 C PRO A 12 7.030 -4.020 3.276 1.00 0.00 C +ATOM 187 O PRO A 12 8.132 -3.843 2.757 1.00 0.00 O +ATOM 188 CB PRO A 12 6.642 -2.717 5.411 1.00 0.00 C +ATOM 189 CG PRO A 12 5.352 -2.223 6.059 1.00 0.00 C +ATOM 190 CD PRO A 12 4.260 -2.809 5.166 1.00 0.00 C +ATOM 191 HA PRO A 12 6.628 -1.916 3.416 1.00 0.00 H +ATOM 192 HB2 PRO A 12 6.925 -3.673 5.809 1.00 0.00 H +ATOM 193 HB3 PRO A 12 7.463 -2.016 5.581 1.00 0.00 H +ATOM 194 HG2 PRO A 12 5.263 -2.588 7.064 1.00 0.00 H +ATOM 195 HG3 PRO A 12 5.314 -1.133 6.017 1.00 0.00 H +ATOM 196 HD2 PRO A 12 3.974 -3.782 5.516 1.00 0.00 H +ATOM 197 HD3 PRO A 12 3.381 -2.165 5.191 1.00 0.00 H +ATOM 198 N SER A 13 6.424 -5.220 3.257 1.00 0.00 N +ATOM 199 CA SER A 13 7.055 -6.413 2.675 1.00 0.00 C +ATOM 200 C SER A 13 7.230 -6.327 1.155 1.00 0.00 C +ATOM 201 O SER A 13 8.109 -6.992 0.615 1.00 0.00 O +ATOM 202 CB SER A 13 6.276 -7.683 3.042 1.00 0.00 C +ATOM 203 OG SER A 13 5.083 -7.810 2.296 1.00 0.00 O +ATOM 204 H SER A 13 5.479 -5.307 3.613 1.00 0.00 H +ATOM 205 HA SER A 13 8.051 -6.506 3.109 1.00 0.00 H +ATOM 206 HB2 SER A 13 6.897 -8.537 2.850 1.00 0.00 H +ATOM 207 HB3 SER A 13 6.031 -7.660 4.105 1.00 0.00 H +ATOM 208 HG SER A 13 5.284 -8.181 1.431 1.00 0.00 H +ATOM 209 N SER A 14 6.424 -5.506 0.464 1.00 0.00 N +ATOM 210 CA SER A 14 6.562 -5.254 -0.977 1.00 0.00 C +ATOM 211 C SER A 14 7.683 -4.260 -1.316 1.00 0.00 C +ATOM 212 O SER A 14 7.958 -4.028 -2.492 1.00 0.00 O +ATOM 213 CB SER A 14 5.232 -4.754 -1.561 1.00 0.00 C +ATOM 214 OG SER A 14 4.689 -5.759 -2.390 1.00 0.00 O +ATOM 215 H SER A 14 5.730 -4.974 0.980 1.00 0.00 H +ATOM 216 HA SER A 14 6.816 -6.193 -1.471 1.00 0.00 H +ATOM 217 HB2 SER A 14 4.548 -4.536 -0.764 1.00 0.00 H +ATOM 218 HB3 SER A 14 5.400 -3.866 -2.170 1.00 0.00 H +ATOM 219 HG SER A 14 3.898 -6.171 -1.941 1.00 0.00 H +ATOM 220 N GLY A 15 8.320 -3.632 -0.318 1.00 0.00 N +ATOM 221 CA GLY A 15 9.452 -2.715 -0.493 1.00 0.00 C +ATOM 222 C GLY A 15 9.088 -1.324 -1.031 1.00 0.00 C +ATOM 223 O GLY A 15 9.745 -0.349 -0.674 1.00 0.00 O +ATOM 224 H GLY A 15 8.043 -3.844 0.636 1.00 0.00 H +ATOM 225 HA2 GLY A 15 9.948 -2.591 0.468 1.00 0.00 H +ATOM 226 HA3 GLY A 15 10.165 -3.167 -1.183 1.00 0.00 H +ATOM 227 N ARG A 16 8.043 -1.206 -1.866 1.00 0.00 N +ATOM 228 CA ARG A 16 7.509 0.078 -2.349 1.00 0.00 C +ATOM 229 C ARG A 16 6.942 0.905 -1.177 1.00 0.00 C +ATOM 230 O ARG A 16 6.183 0.348 -0.380 1.00 0.00 O +ATOM 231 CB ARG A 16 6.426 -0.188 -3.413 1.00 0.00 C +ATOM 232 CG ARG A 16 5.953 1.107 -4.102 1.00 0.00 C +ATOM 233 CD ARG A 16 4.797 0.884 -5.083 1.00 0.00 C +ATOM 234 NE ARG A 16 5.176 -0.019 -6.186 1.00 0.00 N +ATOM 235 CZ ARG A 16 4.649 -1.200 -6.493 1.00 0.00 C +ATOM 236 NH1 ARG A 16 3.626 -1.720 -5.848 1.00 0.00 N +ATOM 237 NH2 ARG A 16 5.165 -1.891 -7.482 1.00 0.00 N +ATOM 238 H ARG A 16 7.615 -2.078 -2.159 1.00 0.00 H +ATOM 239 HA ARG A 16 8.337 0.615 -2.807 1.00 0.00 H +ATOM 240 HB2 ARG A 16 6.828 -0.848 -4.157 1.00 0.00 H +ATOM 241 HB3 ARG A 16 5.573 -0.680 -2.944 1.00 0.00 H +ATOM 242 HG2 ARG A 16 5.630 1.797 -3.346 1.00 0.00 H +ATOM 243 HG3 ARG A 16 6.793 1.555 -4.637 1.00 0.00 H +ATOM 244 HD2 ARG A 16 3.970 0.454 -4.552 1.00 0.00 H +ATOM 245 HD3 ARG A 16 4.515 1.851 -5.503 1.00 0.00 H +ATOM 246 HE ARG A 16 5.943 0.289 -6.761 1.00 0.00 H +ATOM 247 HH11 ARG A 16 3.180 -1.223 -5.093 1.00 0.00 H +ATOM 248 HH12 ARG A 16 3.231 -2.612 -6.088 1.00 0.00 H +ATOM 249 HH21 ARG A 16 5.951 -1.541 -8.001 1.00 0.00 H +ATOM 250 HH22 ARG A 16 4.778 -2.789 -7.706 1.00 0.00 H +ATOM 251 N PRO A 17 7.224 2.222 -1.082 1.00 0.00 N +ATOM 252 CA PRO A 17 6.670 3.081 -0.030 1.00 0.00 C +ATOM 253 C PRO A 17 5.138 3.240 -0.131 1.00 0.00 C +ATOM 254 O PRO A 17 4.571 3.021 -1.206 1.00 0.00 O +ATOM 255 CB PRO A 17 7.384 4.430 -0.195 1.00 0.00 C +ATOM 256 CG PRO A 17 7.755 4.460 -1.675 1.00 0.00 C +ATOM 257 CD PRO A 17 8.084 2.998 -1.964 1.00 0.00 C +ATOM 258 HA PRO A 17 6.923 2.656 0.942 1.00 0.00 H +ATOM 259 HB2 PRO A 17 6.729 5.243 0.053 1.00 0.00 H +ATOM 260 HB3 PRO A 17 8.293 4.437 0.408 1.00 0.00 H +ATOM 261 HG2 PRO A 17 6.932 4.798 -2.274 1.00 0.00 H +ATOM 262 HG3 PRO A 17 8.607 5.114 -1.870 1.00 0.00 H +ATOM 263 HD2 PRO A 17 7.877 2.763 -2.990 1.00 0.00 H +ATOM 264 HD3 PRO A 17 9.127 2.798 -1.720 1.00 0.00 H +ATOM 265 N PRO A 18 4.461 3.639 0.965 1.00 0.00 N +ATOM 266 CA PRO A 18 3.015 3.863 0.981 1.00 0.00 C +ATOM 267 C PRO A 18 2.598 5.121 0.193 1.00 0.00 C +ATOM 268 O PRO A 18 3.428 5.993 -0.068 1.00 0.00 O +ATOM 269 CB PRO A 18 2.645 3.981 2.465 1.00 0.00 C +ATOM 270 CG PRO A 18 3.916 4.525 3.112 1.00 0.00 C +ATOM 271 CD PRO A 18 5.026 3.878 2.287 1.00 0.00 C +ATOM 272 HA PRO A 18 2.518 2.995 0.551 1.00 0.00 H +ATOM 273 HB2 PRO A 18 1.825 4.659 2.602 1.00 0.00 H +ATOM 274 HB3 PRO A 18 2.430 2.993 2.869 1.00 0.00 H +ATOM 275 HG2 PRO A 18 3.957 5.595 3.042 1.00 0.00 H +ATOM 276 HG3 PRO A 18 3.983 4.249 4.165 1.00 0.00 H +ATOM 277 HD2 PRO A 18 5.870 4.536 2.218 1.00 0.00 H +ATOM 278 HD3 PRO A 18 5.309 2.925 2.736 1.00 0.00 H +ATOM 279 N PRO A 19 1.304 5.247 -0.167 1.00 0.00 N +ATOM 280 CA PRO A 19 0.774 6.401 -0.902 1.00 0.00 C +ATOM 281 C PRO A 19 0.569 7.659 -0.043 1.00 0.00 C +ATOM 282 O PRO A 19 0.515 8.755 -0.597 1.00 0.00 O +ATOM 283 CB PRO A 19 -0.568 5.927 -1.467 1.00 0.00 C +ATOM 284 CG PRO A 19 -1.027 4.877 -0.459 1.00 0.00 C +ATOM 285 CD PRO A 19 0.279 4.224 -0.018 1.00 0.00 C +ATOM 286 HA PRO A 19 1.443 6.655 -1.727 1.00 0.00 H +ATOM 287 HB2 PRO A 19 -1.269 6.738 -1.523 1.00 0.00 H +ATOM 288 HB3 PRO A 19 -0.411 5.458 -2.438 1.00 0.00 H +ATOM 289 HG2 PRO A 19 -1.528 5.334 0.372 1.00 0.00 H +ATOM 290 HG3 PRO A 19 -1.691 4.148 -0.918 1.00 0.00 H +ATOM 291 HD2 PRO A 19 0.212 3.908 1.005 1.00 0.00 H +ATOM 292 HD3 PRO A 19 0.512 3.395 -0.684 1.00 0.00 H +ATOM 293 N SER A 20 0.445 7.509 1.283 1.00 0.00 N +ATOM 294 CA SER A 20 0.349 8.586 2.279 1.00 0.00 C +ATOM 295 C SER A 20 1.387 8.402 3.380 1.00 0.00 C +ATOM 296 O SER A 20 1.887 9.446 3.847 1.00 0.00 O +ATOM 297 CB SER A 20 -1.064 8.699 2.867 1.00 0.00 C +ATOM 298 OG SER A 20 -1.468 7.515 3.527 1.00 0.00 O +ATOM 299 OXT SER A 20 1.609 7.229 3.761 1.00 0.00 O +ATOM 300 H SER A 20 0.533 6.584 1.677 1.00 0.00 H +ATOM 301 HA SER A 20 0.581 9.535 1.797 1.00 0.00 H +ATOM 302 HB2 SER A 20 -1.081 9.509 3.570 1.00 0.00 H +ATOM 303 HB3 SER A 20 -1.771 8.923 2.068 1.00 0.00 H +ATOM 304 HG SER A 20 -0.877 7.386 4.279 1.00 0.00 H +TER 305 SER A 20 +ENDMDL +MODEL 4 +ATOM 1 N ASN A 1 -7.996 5.298 -0.779 1.00 0.00 N +ATOM 2 CA ASN A 1 -7.990 4.067 -1.611 1.00 0.00 C +ATOM 3 C ASN A 1 -6.595 3.515 -1.890 1.00 0.00 C +ATOM 4 O ASN A 1 -6.409 2.326 -1.667 1.00 0.00 O +ATOM 5 CB ASN A 1 -8.817 4.236 -2.891 1.00 0.00 C +ATOM 6 CG ASN A 1 -10.260 4.485 -2.482 1.00 0.00 C +ATOM 7 OD1 ASN A 1 -10.595 5.590 -2.090 1.00 0.00 O +ATOM 8 ND2 ASN A 1 -11.097 3.465 -2.420 1.00 0.00 N +ATOM 9 H1 ASN A 1 -7.499 5.145 0.089 1.00 0.00 H +ATOM 10 H2 ASN A 1 -7.580 6.071 -1.279 1.00 0.00 H +ATOM 11 H3 ASN A 1 -8.957 5.549 -0.571 1.00 0.00 H +ATOM 12 HA ASN A 1 -8.483 3.285 -1.032 1.00 0.00 H +ATOM 13 HB2 ASN A 1 -8.449 5.070 -3.456 1.00 0.00 H +ATOM 14 HB3 ASN A 1 -8.756 3.334 -3.502 1.00 0.00 H +ATOM 15 HD21 ASN A 1 -10.855 2.524 -2.688 1.00 0.00 H +ATOM 16 HD22 ASN A 1 -12.028 3.700 -2.110 1.00 0.00 H +ATOM 17 N LEU A 2 -5.616 4.322 -2.330 1.00 0.00 N +ATOM 18 CA LEU A 2 -4.255 3.853 -2.649 1.00 0.00 C +ATOM 19 C LEU A 2 -3.609 2.984 -1.550 1.00 0.00 C +ATOM 20 O LEU A 2 -2.969 1.976 -1.846 1.00 0.00 O +ATOM 21 CB LEU A 2 -3.364 5.074 -2.976 1.00 0.00 C +ATOM 22 CG LEU A 2 -3.035 5.287 -4.464 1.00 0.00 C +ATOM 23 CD1 LEU A 2 -2.298 4.086 -5.067 1.00 0.00 C +ATOM 24 CD2 LEU A 2 -4.283 5.609 -5.288 1.00 0.00 C +ATOM 25 H LEU A 2 -5.808 5.284 -2.567 1.00 0.00 H +ATOM 26 HA LEU A 2 -4.324 3.212 -3.525 1.00 0.00 H +ATOM 27 HB2 LEU A 2 -3.868 5.953 -2.622 1.00 0.00 H +ATOM 28 HB3 LEU A 2 -2.413 4.965 -2.461 1.00 0.00 H +ATOM 29 HG LEU A 2 -2.366 6.146 -4.524 1.00 0.00 H +ATOM 30 HD11 LEU A 2 -1.513 3.750 -4.388 1.00 0.00 H +ATOM 31 HD12 LEU A 2 -2.985 3.262 -5.255 1.00 0.00 H +ATOM 32 HD13 LEU A 2 -1.840 4.380 -6.010 1.00 0.00 H +ATOM 33 HD21 LEU A 2 -4.988 4.779 -5.260 1.00 0.00 H +ATOM 34 HD22 LEU A 2 -4.758 6.509 -4.897 1.00 0.00 H +ATOM 35 HD23 LEU A 2 -3.993 5.793 -6.323 1.00 0.00 H +ATOM 36 N TYR A 3 -3.829 3.342 -0.280 1.00 0.00 N +ATOM 37 CA TYR A 3 -3.352 2.587 0.881 1.00 0.00 C +ATOM 38 C TYR A 3 -3.885 1.142 0.933 1.00 0.00 C +ATOM 39 O TYR A 3 -3.182 0.255 1.410 1.00 0.00 O +ATOM 40 CB TYR A 3 -3.714 3.350 2.166 1.00 0.00 C +ATOM 41 CG TYR A 3 -2.571 3.426 3.153 1.00 0.00 C +ATOM 42 CD1 TYR A 3 -2.238 2.307 3.939 1.00 0.00 C +ATOM 43 CD2 TYR A 3 -1.826 4.614 3.277 1.00 0.00 C +ATOM 44 CE1 TYR A 3 -1.172 2.377 4.854 1.00 0.00 C +ATOM 45 CE2 TYR A 3 -0.758 4.692 4.190 1.00 0.00 C +ATOM 46 CZ TYR A 3 -0.434 3.573 4.988 1.00 0.00 C +ATOM 47 OH TYR A 3 0.564 3.651 5.909 1.00 0.00 O +ATOM 48 H TYR A 3 -4.312 4.211 -0.115 1.00 0.00 H +ATOM 49 HA TYR A 3 -2.266 2.531 0.815 1.00 0.00 H +ATOM 50 HB2 TYR A 3 -4.003 4.349 1.900 1.00 0.00 H +ATOM 51 HB3 TYR A 3 -4.571 2.877 2.649 1.00 0.00 H +ATOM 52 HD1 TYR A 3 -2.810 1.398 3.838 1.00 0.00 H +ATOM 53 HD2 TYR A 3 -2.070 5.479 2.676 1.00 0.00 H +ATOM 54 HE1 TYR A 3 -0.916 1.531 5.472 1.00 0.00 H +ATOM 55 HE2 TYR A 3 -0.198 5.613 4.266 1.00 0.00 H +ATOM 56 HH TYR A 3 0.792 4.562 6.104 1.00 0.00 H +ATOM 57 N ILE A 4 -5.099 0.891 0.414 1.00 0.00 N +ATOM 58 CA ILE A 4 -5.705 -0.444 0.348 1.00 0.00 C +ATOM 59 C ILE A 4 -4.882 -1.332 -0.589 1.00 0.00 C +ATOM 60 O ILE A 4 -4.466 -2.411 -0.181 1.00 0.00 O +ATOM 61 CB ILE A 4 -7.191 -0.380 -0.086 1.00 0.00 C +ATOM 62 CG1 ILE A 4 -8.038 0.622 0.737 1.00 0.00 C +ATOM 63 CG2 ILE A 4 -7.836 -1.778 -0.048 1.00 0.00 C +ATOM 64 CD1 ILE A 4 -8.051 0.390 2.254 1.00 0.00 C +ATOM 65 H ILE A 4 -5.574 1.642 -0.074 1.00 0.00 H +ATOM 66 HA ILE A 4 -5.657 -0.892 1.341 1.00 0.00 H +ATOM 67 HB ILE A 4 -7.230 -0.049 -1.125 1.00 0.00 H +ATOM 68 HG12 ILE A 4 -7.652 1.607 0.557 1.00 0.00 H +ATOM 69 HG13 ILE A 4 -9.066 0.590 0.375 1.00 0.00 H +ATOM 70 HG21 ILE A 4 -7.351 -2.438 -0.767 1.00 0.00 H +ATOM 71 HG22 ILE A 4 -7.744 -2.214 0.948 1.00 0.00 H +ATOM 72 HG23 ILE A 4 -8.891 -1.708 -0.312 1.00 0.00 H +ATOM 73 HD11 ILE A 4 -8.463 -0.592 2.485 1.00 0.00 H +ATOM 74 HD12 ILE A 4 -7.043 0.470 2.659 1.00 0.00 H +ATOM 75 HD13 ILE A 4 -8.674 1.150 2.725 1.00 0.00 H +ATOM 76 N GLN A 5 -4.600 -0.857 -1.811 1.00 0.00 N +ATOM 77 CA GLN A 5 -3.712 -1.519 -2.775 1.00 0.00 C +ATOM 78 C GLN A 5 -2.314 -1.759 -2.183 1.00 0.00 C +ATOM 79 O GLN A 5 -1.803 -2.878 -2.255 1.00 0.00 O +ATOM 80 CB GLN A 5 -3.634 -0.674 -4.062 1.00 0.00 C +ATOM 81 CG GLN A 5 -4.792 -0.953 -5.031 1.00 0.00 C +ATOM 82 CD GLN A 5 -4.542 -2.214 -5.853 1.00 0.00 C +ATOM 83 OE1 GLN A 5 -4.848 -3.320 -5.436 1.00 0.00 O +ATOM 84 NE2 GLN A 5 -3.968 -2.093 -7.036 1.00 0.00 N +ATOM 85 H GLN A 5 -4.948 0.063 -2.038 1.00 0.00 H +ATOM 86 HA GLN A 5 -4.122 -2.500 -3.019 1.00 0.00 H +ATOM 87 HB2 GLN A 5 -3.656 0.364 -3.792 1.00 0.00 H +ATOM 88 HB3 GLN A 5 -2.694 -0.880 -4.579 1.00 0.00 H +ATOM 89 HG2 GLN A 5 -5.696 -1.078 -4.467 1.00 0.00 H +ATOM 90 HG3 GLN A 5 -4.898 -0.106 -5.710 1.00 0.00 H +ATOM 91 HE21 GLN A 5 -3.693 -1.205 -7.419 1.00 0.00 H +ATOM 92 HE22 GLN A 5 -3.810 -2.965 -7.512 1.00 0.00 H +ATOM 93 N TRP A 6 -1.713 -0.734 -1.561 1.00 0.00 N +ATOM 94 CA TRP A 6 -0.400 -0.841 -0.917 1.00 0.00 C +ATOM 95 C TRP A 6 -0.353 -1.931 0.171 1.00 0.00 C +ATOM 96 O TRP A 6 0.567 -2.757 0.175 1.00 0.00 O +ATOM 97 CB TRP A 6 0.005 0.531 -0.361 1.00 0.00 C +ATOM 98 CG TRP A 6 1.372 0.565 0.247 1.00 0.00 C +ATOM 99 CD1 TRP A 6 2.532 0.625 -0.442 1.00 0.00 C +ATOM 100 CD2 TRP A 6 1.747 0.483 1.657 1.00 0.00 C +ATOM 101 NE1 TRP A 6 3.594 0.565 0.438 1.00 0.00 N +ATOM 102 CE2 TRP A 6 3.169 0.480 1.743 1.00 0.00 C +ATOM 103 CE3 TRP A 6 1.032 0.393 2.872 1.00 0.00 C +ATOM 104 CZ2 TRP A 6 3.853 0.395 2.965 1.00 0.00 C +ATOM 105 CZ3 TRP A 6 1.707 0.293 4.104 1.00 0.00 C +ATOM 106 CH2 TRP A 6 3.112 0.296 4.154 1.00 0.00 C +ATOM 107 H TRP A 6 -2.186 0.167 -1.566 1.00 0.00 H +ATOM 108 HA TRP A 6 0.329 -1.126 -1.676 1.00 0.00 H +ATOM 109 HB2 TRP A 6 -0.024 1.242 -1.164 1.00 0.00 H +ATOM 110 HB3 TRP A 6 -0.716 0.838 0.395 1.00 0.00 H +ATOM 111 HD1 TRP A 6 2.616 0.684 -1.518 1.00 0.00 H +ATOM 112 HE1 TRP A 6 4.579 0.565 0.164 1.00 0.00 H +ATOM 113 HE3 TRP A 6 -0.046 0.398 2.841 1.00 0.00 H +ATOM 114 HZ2 TRP A 6 4.933 0.389 2.975 1.00 0.00 H +ATOM 115 HZ3 TRP A 6 1.142 0.218 5.022 1.00 0.00 H +ATOM 116 HH2 TRP A 6 3.621 0.223 5.106 1.00 0.00 H +ATOM 117 N LEU A 7 -1.360 -1.961 1.060 1.00 0.00 N +ATOM 118 CA LEU A 7 -1.529 -3.019 2.059 1.00 0.00 C +ATOM 119 C LEU A 7 -1.819 -4.386 1.425 1.00 0.00 C +ATOM 120 O LEU A 7 -1.263 -5.376 1.896 1.00 0.00 O +ATOM 121 CB LEU A 7 -2.645 -2.652 3.058 1.00 0.00 C +ATOM 122 CG LEU A 7 -2.265 -1.546 4.060 1.00 0.00 C +ATOM 123 CD1 LEU A 7 -3.504 -1.129 4.860 1.00 0.00 C +ATOM 124 CD2 LEU A 7 -1.186 -1.989 5.054 1.00 0.00 C +ATOM 125 H LEU A 7 -2.062 -1.224 1.020 1.00 0.00 H +ATOM 126 HA LEU A 7 -0.594 -3.131 2.603 1.00 0.00 H +ATOM 127 HB2 LEU A 7 -3.499 -2.320 2.500 1.00 0.00 H +ATOM 128 HB3 LEU A 7 -2.915 -3.543 3.627 1.00 0.00 H +ATOM 129 HG LEU A 7 -1.898 -0.680 3.518 1.00 0.00 H +ATOM 130 HD11 LEU A 7 -4.273 -0.762 4.181 1.00 0.00 H +ATOM 131 HD12 LEU A 7 -3.892 -1.977 5.422 1.00 0.00 H +ATOM 132 HD13 LEU A 7 -3.243 -0.331 5.557 1.00 0.00 H +ATOM 133 HD21 LEU A 7 -1.516 -2.875 5.597 1.00 0.00 H +ATOM 134 HD22 LEU A 7 -0.258 -2.212 4.531 1.00 0.00 H +ATOM 135 HD23 LEU A 7 -0.990 -1.188 5.767 1.00 0.00 H +ATOM 136 N LYS A 8 -2.636 -4.457 0.360 1.00 0.00 N +ATOM 137 CA LYS A 8 -3.000 -5.710 -0.323 1.00 0.00 C +ATOM 138 C LYS A 8 -1.774 -6.506 -0.772 1.00 0.00 C +ATOM 139 O LYS A 8 -1.764 -7.728 -0.650 1.00 0.00 O +ATOM 140 CB LYS A 8 -3.907 -5.437 -1.541 1.00 0.00 C +ATOM 141 CG LYS A 8 -4.842 -6.624 -1.830 1.00 0.00 C +ATOM 142 CD LYS A 8 -6.265 -6.337 -1.328 1.00 0.00 C +ATOM 143 CE LYS A 8 -7.114 -7.612 -1.287 1.00 0.00 C +ATOM 144 NZ LYS A 8 -6.875 -8.381 -0.042 1.00 0.00 N +ATOM 145 H LYS A 8 -3.089 -3.595 0.056 1.00 0.00 H +ATOM 146 HA LYS A 8 -3.534 -6.330 0.396 1.00 0.00 H +ATOM 147 HB2 LYS A 8 -4.501 -4.566 -1.344 1.00 0.00 H +ATOM 148 HB3 LYS A 8 -3.287 -5.248 -2.418 1.00 0.00 H +ATOM 149 HG2 LYS A 8 -4.871 -6.798 -2.888 1.00 0.00 H +ATOM 150 HG3 LYS A 8 -4.454 -7.529 -1.364 1.00 0.00 H +ATOM 151 HD2 LYS A 8 -6.209 -5.923 -0.340 1.00 0.00 H +ATOM 152 HD3 LYS A 8 -6.730 -5.625 -2.013 1.00 0.00 H +ATOM 153 HE2 LYS A 8 -8.151 -7.343 -1.337 1.00 0.00 H +ATOM 154 HE3 LYS A 8 -6.877 -8.220 -2.164 1.00 0.00 H +ATOM 155 HZ1 LYS A 8 -5.889 -8.591 0.053 1.00 0.00 H +ATOM 156 HZ2 LYS A 8 -7.168 -7.840 0.762 1.00 0.00 H +ATOM 157 HZ3 LYS A 8 -7.394 -9.248 -0.055 1.00 0.00 H +ATOM 158 N ASP A 9 -0.756 -5.802 -1.272 1.00 0.00 N +ATOM 159 CA ASP A 9 0.519 -6.369 -1.719 1.00 0.00 C +ATOM 160 C ASP A 9 1.466 -6.750 -0.552 1.00 0.00 C +ATOM 161 O ASP A 9 2.432 -7.481 -0.764 1.00 0.00 O +ATOM 162 CB ASP A 9 1.147 -5.356 -2.691 1.00 0.00 C +ATOM 163 CG ASP A 9 2.157 -5.999 -3.643 1.00 0.00 C +ATOM 164 OD1 ASP A 9 1.687 -6.708 -4.559 1.00 0.00 O +ATOM 165 OD2 ASP A 9 3.367 -5.733 -3.478 1.00 0.00 O +ATOM 166 H ASP A 9 -0.906 -4.806 -1.394 1.00 0.00 H +ATOM 167 HA ASP A 9 0.309 -7.281 -2.280 1.00 0.00 H +ATOM 168 HB2 ASP A 9 0.365 -4.908 -3.272 1.00 0.00 H +ATOM 169 HB3 ASP A 9 1.602 -4.539 -2.136 1.00 0.00 H +ATOM 170 N GLY A 10 1.166 -6.322 0.686 1.00 0.00 N +ATOM 171 CA GLY A 10 1.940 -6.628 1.899 1.00 0.00 C +ATOM 172 C GLY A 10 2.455 -5.411 2.687 1.00 0.00 C +ATOM 173 O GLY A 10 3.258 -5.576 3.605 1.00 0.00 O +ATOM 174 H GLY A 10 0.283 -5.838 0.808 1.00 0.00 H +ATOM 175 HA2 GLY A 10 1.308 -7.208 2.569 1.00 0.00 H +ATOM 176 HA3 GLY A 10 2.799 -7.243 1.641 1.00 0.00 H +ATOM 177 N GLY A 11 2.025 -4.190 2.349 1.00 0.00 N +ATOM 178 CA GLY A 11 2.501 -2.933 2.929 1.00 0.00 C +ATOM 179 C GLY A 11 4.035 -2.809 2.947 1.00 0.00 C +ATOM 180 O GLY A 11 4.636 -2.640 1.883 1.00 0.00 O +ATOM 181 H GLY A 11 1.426 -4.116 1.535 1.00 0.00 H +ATOM 182 HA2 GLY A 11 2.113 -2.118 2.323 1.00 0.00 H +ATOM 183 HA3 GLY A 11 2.088 -2.828 3.930 1.00 0.00 H +ATOM 184 N PRO A 12 4.714 -2.887 4.112 1.00 0.00 N +ATOM 185 CA PRO A 12 6.177 -2.830 4.177 1.00 0.00 C +ATOM 186 C PRO A 12 6.894 -3.885 3.322 1.00 0.00 C +ATOM 187 O PRO A 12 8.009 -3.632 2.870 1.00 0.00 O +ATOM 188 CB PRO A 12 6.543 -2.996 5.656 1.00 0.00 C +ATOM 189 CG PRO A 12 5.275 -2.581 6.397 1.00 0.00 C +ATOM 190 CD PRO A 12 4.158 -3.015 5.451 1.00 0.00 C +ATOM 191 HA PRO A 12 6.493 -1.842 3.843 1.00 0.00 H +ATOM 192 HB2 PRO A 12 6.796 -4.015 5.874 1.00 0.00 H +ATOM 193 HB3 PRO A 12 7.390 -2.365 5.930 1.00 0.00 H +ATOM 194 HG2 PRO A 12 5.198 -3.086 7.340 1.00 0.00 H +ATOM 195 HG3 PRO A 12 5.255 -1.495 6.510 1.00 0.00 H +ATOM 196 HD2 PRO A 12 3.876 -4.032 5.645 1.00 0.00 H +ATOM 197 HD3 PRO A 12 3.286 -2.377 5.597 1.00 0.00 H +ATOM 198 N SER A 13 6.272 -5.048 3.067 1.00 0.00 N +ATOM 199 CA SER A 13 6.859 -6.106 2.234 1.00 0.00 C +ATOM 200 C SER A 13 6.522 -5.983 0.737 1.00 0.00 C +ATOM 201 O SER A 13 6.868 -6.883 -0.022 1.00 0.00 O +ATOM 202 CB SER A 13 6.517 -7.490 2.809 1.00 0.00 C +ATOM 203 OG SER A 13 5.152 -7.809 2.665 1.00 0.00 O +ATOM 204 H SER A 13 5.336 -5.211 3.432 1.00 0.00 H +ATOM 205 HA SER A 13 7.945 -6.021 2.301 1.00 0.00 H +ATOM 206 HB2 SER A 13 7.100 -8.230 2.296 1.00 0.00 H +ATOM 207 HB3 SER A 13 6.776 -7.504 3.869 1.00 0.00 H +ATOM 208 HG SER A 13 4.960 -7.945 1.731 1.00 0.00 H +ATOM 209 N SER A 14 5.879 -4.888 0.300 1.00 0.00 N +ATOM 210 CA SER A 14 5.483 -4.641 -1.100 1.00 0.00 C +ATOM 211 C SER A 14 6.594 -4.035 -1.979 1.00 0.00 C +ATOM 212 O SER A 14 6.388 -3.818 -3.171 1.00 0.00 O +ATOM 213 CB SER A 14 4.291 -3.674 -1.143 1.00 0.00 C +ATOM 214 OG SER A 14 3.244 -4.095 -0.294 1.00 0.00 O +ATOM 215 H SER A 14 5.551 -4.209 0.982 1.00 0.00 H +ATOM 216 HA SER A 14 5.168 -5.582 -1.554 1.00 0.00 H +ATOM 217 HB2 SER A 14 4.621 -2.702 -0.832 1.00 0.00 H +ATOM 218 HB3 SER A 14 3.920 -3.612 -2.167 1.00 0.00 H +ATOM 219 HG SER A 14 2.497 -3.486 -0.373 1.00 0.00 H +ATOM 220 N GLY A 15 7.760 -3.685 -1.413 1.00 0.00 N +ATOM 221 CA GLY A 15 8.865 -3.074 -2.168 1.00 0.00 C +ATOM 222 C GLY A 15 8.636 -1.615 -2.597 1.00 0.00 C +ATOM 223 O GLY A 15 9.329 -1.131 -3.490 1.00 0.00 O +ATOM 224 H GLY A 15 7.882 -3.900 -0.435 1.00 0.00 H +ATOM 225 HA2 GLY A 15 9.772 -3.108 -1.566 1.00 0.00 H +ATOM 226 HA3 GLY A 15 9.044 -3.662 -3.070 1.00 0.00 H +ATOM 227 N ARG A 16 7.674 -0.910 -1.982 1.00 0.00 N +ATOM 228 CA ARG A 16 7.291 0.476 -2.303 1.00 0.00 C +ATOM 229 C ARG A 16 6.926 1.243 -1.019 1.00 0.00 C +ATOM 230 O ARG A 16 6.299 0.641 -0.143 1.00 0.00 O +ATOM 231 CB ARG A 16 6.095 0.409 -3.275 1.00 0.00 C +ATOM 232 CG ARG A 16 5.718 1.773 -3.872 1.00 0.00 C +ATOM 233 CD ARG A 16 4.496 1.668 -4.787 1.00 0.00 C +ATOM 234 NE ARG A 16 4.170 2.979 -5.381 1.00 0.00 N +ATOM 235 CZ ARG A 16 4.620 3.482 -6.525 1.00 0.00 C +ATOM 236 NH1 ARG A 16 5.433 2.811 -7.310 1.00 0.00 N +ATOM 237 NH2 ARG A 16 4.260 4.687 -6.902 1.00 0.00 N +ATOM 238 H ARG A 16 7.165 -1.374 -1.242 1.00 0.00 H +ATOM 239 HA ARG A 16 8.134 0.962 -2.796 1.00 0.00 H +ATOM 240 HB2 ARG A 16 6.346 -0.256 -4.078 1.00 0.00 H +ATOM 241 HB3 ARG A 16 5.232 -0.006 -2.753 1.00 0.00 H +ATOM 242 HG2 ARG A 16 5.497 2.454 -3.073 1.00 0.00 H +ATOM 243 HG3 ARG A 16 6.563 2.153 -4.447 1.00 0.00 H +ATOM 244 HD2 ARG A 16 4.704 0.968 -5.573 1.00 0.00 H +ATOM 245 HD3 ARG A 16 3.644 1.325 -4.197 1.00 0.00 H +ATOM 246 HE ARG A 16 3.562 3.570 -4.839 1.00 0.00 H +ATOM 247 HH11 ARG A 16 5.714 1.890 -7.023 1.00 0.00 H +ATOM 248 HH12 ARG A 16 5.768 3.197 -8.173 1.00 0.00 H +ATOM 249 HH21 ARG A 16 3.648 5.240 -6.327 1.00 0.00 H +ATOM 250 HH22 ARG A 16 4.602 5.065 -7.766 1.00 0.00 H +ATOM 251 N PRO A 17 7.244 2.550 -0.887 1.00 0.00 N +ATOM 252 CA PRO A 17 6.834 3.351 0.272 1.00 0.00 C +ATOM 253 C PRO A 17 5.302 3.529 0.364 1.00 0.00 C +ATOM 254 O PRO A 17 4.613 3.423 -0.657 1.00 0.00 O +ATOM 255 CB PRO A 17 7.546 4.701 0.109 1.00 0.00 C +ATOM 256 CG PRO A 17 7.773 4.807 -1.398 1.00 0.00 C +ATOM 257 CD PRO A 17 8.043 3.359 -1.797 1.00 0.00 C +ATOM 258 HA PRO A 17 7.191 2.864 1.180 1.00 0.00 H +ATOM 259 HB2 PRO A 17 6.929 5.505 0.461 1.00 0.00 H +ATOM 260 HB3 PRO A 17 8.509 4.667 0.619 1.00 0.00 H +ATOM 261 HG2 PRO A 17 6.902 5.190 -1.895 1.00 0.00 H +ATOM 262 HG3 PRO A 17 8.614 5.459 -1.638 1.00 0.00 H +ATOM 263 HD2 PRO A 17 7.743 3.188 -2.813 1.00 0.00 H +ATOM 264 HD3 PRO A 17 9.099 3.130 -1.650 1.00 0.00 H +ATOM 265 N PRO A 18 4.761 3.830 1.562 1.00 0.00 N +ATOM 266 CA PRO A 18 3.330 4.041 1.763 1.00 0.00 C +ATOM 267 C PRO A 18 2.857 5.363 1.124 1.00 0.00 C +ATOM 268 O PRO A 18 3.561 6.372 1.215 1.00 0.00 O +ATOM 269 CB PRO A 18 3.122 4.052 3.280 1.00 0.00 C +ATOM 270 CG PRO A 18 4.467 4.528 3.826 1.00 0.00 C +ATOM 271 CD PRO A 18 5.475 3.963 2.826 1.00 0.00 C +ATOM 272 HA PRO A 18 2.789 3.199 1.338 1.00 0.00 H +ATOM 273 HB2 PRO A 18 2.336 4.730 3.554 1.00 0.00 H +ATOM 274 HB3 PRO A 18 2.928 3.039 3.629 1.00 0.00 H +ATOM 275 HG2 PRO A 18 4.513 5.600 3.853 1.00 0.00 H +ATOM 276 HG3 PRO A 18 4.649 4.156 4.834 1.00 0.00 H +ATOM 277 HD2 PRO A 18 6.306 4.633 2.716 1.00 0.00 H +ATOM 278 HD3 PRO A 18 5.808 2.979 3.157 1.00 0.00 H +ATOM 279 N PRO A 19 1.664 5.391 0.501 1.00 0.00 N +ATOM 280 CA PRO A 19 1.089 6.605 -0.071 1.00 0.00 C +ATOM 281 C PRO A 19 0.480 7.494 1.027 1.00 0.00 C +ATOM 282 O PRO A 19 -0.248 6.998 1.889 1.00 0.00 O +ATOM 283 CB PRO A 19 0.030 6.099 -1.056 1.00 0.00 C +ATOM 284 CG PRO A 19 -0.452 4.787 -0.431 1.00 0.00 C +ATOM 285 CD PRO A 19 0.776 4.254 0.301 1.00 0.00 C +ATOM 286 HA PRO A 19 1.850 7.167 -0.612 1.00 0.00 H +ATOM 287 HB2 PRO A 19 -0.777 6.800 -1.143 1.00 0.00 H +ATOM 288 HB3 PRO A 19 0.507 5.887 -2.015 1.00 0.00 H +ATOM 289 HG2 PRO A 19 -1.258 4.965 0.255 1.00 0.00 H +ATOM 290 HG3 PRO A 19 -0.783 4.076 -1.188 1.00 0.00 H +ATOM 291 HD2 PRO A 19 0.491 3.835 1.247 1.00 0.00 H +ATOM 292 HD3 PRO A 19 1.276 3.508 -0.318 1.00 0.00 H +ATOM 293 N SER A 20 0.773 8.801 0.994 1.00 0.00 N +ATOM 294 CA SER A 20 0.156 9.787 1.896 1.00 0.00 C +ATOM 295 C SER A 20 -1.215 10.283 1.430 1.00 0.00 C +ATOM 296 O SER A 20 -1.579 10.082 0.257 1.00 0.00 O +ATOM 297 CB SER A 20 1.058 11.002 2.110 1.00 0.00 C +ATOM 298 OG SER A 20 0.393 11.759 3.099 1.00 0.00 O +ATOM 299 OXT SER A 20 -1.809 10.968 2.306 1.00 0.00 O +ATOM 300 H SER A 20 1.346 9.144 0.240 1.00 0.00 H +ATOM 301 HA SER A 20 -0.001 9.315 2.867 1.00 0.00 H +ATOM 302 HB2 SER A 20 2.029 10.699 2.452 1.00 0.00 H +ATOM 303 HB3 SER A 20 1.131 11.580 1.186 1.00 0.00 H +ATOM 304 HG SER A 20 -0.584 11.562 2.923 1.00 0.00 H +TER 305 SER A 20 +ENDMDL +MODEL 5 +ATOM 1 N ASN A 1 -8.175 6.595 -1.658 1.00 0.00 N +ATOM 2 CA ASN A 1 -7.203 6.342 -0.567 1.00 0.00 C +ATOM 3 C ASN A 1 -5.868 5.761 -1.012 1.00 0.00 C +ATOM 4 O ASN A 1 -4.867 6.207 -0.471 1.00 0.00 O +ATOM 5 CB ASN A 1 -7.789 5.475 0.551 1.00 0.00 C +ATOM 6 CG ASN A 1 -8.492 6.367 1.553 1.00 0.00 C +ATOM 7 OD1 ASN A 1 -9.561 6.874 1.264 1.00 0.00 O +ATOM 8 ND2 ASN A 1 -7.884 6.637 2.695 1.00 0.00 N +ATOM 9 H1 ASN A 1 -7.762 7.177 -2.374 1.00 0.00 H +ATOM 10 H2 ASN A 1 -8.486 5.725 -2.069 1.00 0.00 H +ATOM 11 H3 ASN A 1 -8.985 7.069 -1.275 1.00 0.00 H +ATOM 12 HA ASN A 1 -6.948 7.307 -0.124 1.00 0.00 H +ATOM 13 HB2 ASN A 1 -8.491 4.779 0.135 1.00 0.00 H +ATOM 14 HB3 ASN A 1 -6.995 4.925 1.061 1.00 0.00 H +ATOM 15 HD21 ASN A 1 -6.974 6.276 2.941 1.00 0.00 H +ATOM 16 HD22 ASN A 1 -8.390 7.244 3.321 1.00 0.00 H +ATOM 17 N LEU A 2 -5.828 4.741 -1.887 1.00 0.00 N +ATOM 18 CA LEU A 2 -4.612 4.045 -2.368 1.00 0.00 C +ATOM 19 C LEU A 2 -3.979 3.125 -1.303 1.00 0.00 C +ATOM 20 O LEU A 2 -3.517 2.035 -1.641 1.00 0.00 O +ATOM 21 CB LEU A 2 -3.580 5.040 -2.959 1.00 0.00 C +ATOM 22 CG LEU A 2 -4.147 5.962 -4.067 1.00 0.00 C +ATOM 23 CD1 LEU A 2 -3.532 7.367 -4.057 1.00 0.00 C +ATOM 24 CD2 LEU A 2 -3.954 5.329 -5.447 1.00 0.00 C +ATOM 25 H LEU A 2 -6.690 4.354 -2.239 1.00 0.00 H +ATOM 26 HA LEU A 2 -4.915 3.389 -3.185 1.00 0.00 H +ATOM 27 HB2 LEU A 2 -3.214 5.658 -2.162 1.00 0.00 H +ATOM 28 HB3 LEU A 2 -2.734 4.477 -3.358 1.00 0.00 H +ATOM 29 HG LEU A 2 -5.216 6.098 -3.915 1.00 0.00 H +ATOM 30 HD11 LEU A 2 -3.212 7.650 -3.053 1.00 0.00 H +ATOM 31 HD12 LEU A 2 -2.676 7.423 -4.729 1.00 0.00 H +ATOM 32 HD13 LEU A 2 -4.283 8.087 -4.385 1.00 0.00 H +ATOM 33 HD21 LEU A 2 -2.891 5.203 -5.654 1.00 0.00 H +ATOM 34 HD22 LEU A 2 -4.442 4.355 -5.483 1.00 0.00 H +ATOM 35 HD23 LEU A 2 -4.390 5.972 -6.210 1.00 0.00 H +ATOM 36 N TYR A 3 -4.034 3.507 -0.022 1.00 0.00 N +ATOM 37 CA TYR A 3 -3.488 2.754 1.113 1.00 0.00 C +ATOM 38 C TYR A 3 -3.999 1.304 1.197 1.00 0.00 C +ATOM 39 O TYR A 3 -3.219 0.398 1.481 1.00 0.00 O +ATOM 40 CB TYR A 3 -3.764 3.518 2.421 1.00 0.00 C +ATOM 41 CG TYR A 3 -2.555 3.588 3.333 1.00 0.00 C +ATOM 42 CD1 TYR A 3 -2.195 2.479 4.123 1.00 0.00 C +ATOM 43 CD2 TYR A 3 -1.776 4.762 3.370 1.00 0.00 C +ATOM 44 CE1 TYR A 3 -1.050 2.538 4.942 1.00 0.00 C +ATOM 45 CE2 TYR A 3 -0.643 4.831 4.199 1.00 0.00 C +ATOM 46 CZ TYR A 3 -0.268 3.716 4.975 1.00 0.00 C +ATOM 47 OH TYR A 3 0.867 3.769 5.724 1.00 0.00 O +ATOM 48 H TYR A 3 -4.320 4.468 0.138 1.00 0.00 H +ATOM 49 HA TYR A 3 -2.408 2.707 0.979 1.00 0.00 H +ATOM 50 HB2 TYR A 3 -4.066 4.518 2.176 1.00 0.00 H +ATOM 51 HB3 TYR A 3 -4.590 3.050 2.959 1.00 0.00 H +ATOM 52 HD1 TYR A 3 -2.793 1.578 4.096 1.00 0.00 H +ATOM 53 HD2 TYR A 3 -2.027 5.621 2.759 1.00 0.00 H +ATOM 54 HE1 TYR A 3 -0.776 1.690 5.552 1.00 0.00 H +ATOM 55 HE2 TYR A 3 -0.044 5.734 4.228 1.00 0.00 H +ATOM 56 HH TYR A 3 1.327 2.931 5.742 1.00 0.00 H +ATOM 57 N ILE A 4 -5.288 1.067 0.907 1.00 0.00 N +ATOM 58 CA ILE A 4 -5.894 -0.275 0.884 1.00 0.00 C +ATOM 59 C ILE A 4 -5.214 -1.162 -0.172 1.00 0.00 C +ATOM 60 O ILE A 4 -4.782 -2.273 0.130 1.00 0.00 O +ATOM 61 CB ILE A 4 -7.430 -0.201 0.663 1.00 0.00 C +ATOM 62 CG1 ILE A 4 -8.116 0.772 1.655 1.00 0.00 C +ATOM 63 CG2 ILE A 4 -8.062 -1.596 0.813 1.00 0.00 C +ATOM 64 CD1 ILE A 4 -8.454 2.122 1.015 1.00 0.00 C +ATOM 65 H ILE A 4 -5.869 1.867 0.710 1.00 0.00 H +ATOM 66 HA ILE A 4 -5.718 -0.740 1.855 1.00 0.00 H +ATOM 67 HB ILE A 4 -7.627 0.135 -0.357 1.00 0.00 H +ATOM 68 HG12 ILE A 4 -9.024 0.321 2.007 1.00 0.00 H +ATOM 69 HG13 ILE A 4 -7.470 0.935 2.519 1.00 0.00 H +ATOM 70 HG21 ILE A 4 -7.644 -2.289 0.083 1.00 0.00 H +ATOM 71 HG22 ILE A 4 -7.885 -1.983 1.817 1.00 0.00 H +ATOM 72 HG23 ILE A 4 -9.137 -1.535 0.640 1.00 0.00 H +ATOM 73 HD11 ILE A 4 -7.676 2.427 0.316 1.00 0.00 H +ATOM 74 HD12 ILE A 4 -9.403 2.047 0.483 1.00 0.00 H +ATOM 75 HD13 ILE A 4 -8.550 2.876 1.798 1.00 0.00 H +ATOM 76 N GLN A 5 -5.080 -0.655 -1.404 1.00 0.00 N +ATOM 77 CA GLN A 5 -4.405 -1.359 -2.496 1.00 0.00 C +ATOM 78 C GLN A 5 -2.908 -1.559 -2.203 1.00 0.00 C +ATOM 79 O GLN A 5 -2.368 -2.623 -2.496 1.00 0.00 O +ATOM 80 CB GLN A 5 -4.637 -0.594 -3.811 1.00 0.00 C +ATOM 81 CG GLN A 5 -4.176 -1.352 -5.070 1.00 0.00 C +ATOM 82 CD GLN A 5 -5.080 -2.517 -5.485 1.00 0.00 C +ATOM 83 OE1 GLN A 5 -5.806 -3.119 -4.707 1.00 0.00 O +ATOM 84 NE2 GLN A 5 -5.067 -2.886 -6.751 1.00 0.00 N +ATOM 85 H GLN A 5 -5.392 0.289 -1.566 1.00 0.00 H +ATOM 86 HA GLN A 5 -4.856 -2.348 -2.581 1.00 0.00 H +ATOM 87 HB2 GLN A 5 -5.687 -0.394 -3.904 1.00 0.00 H +ATOM 88 HB3 GLN A 5 -4.096 0.353 -3.763 1.00 0.00 H +ATOM 89 HG2 GLN A 5 -4.136 -0.654 -5.884 1.00 0.00 H +ATOM 90 HG3 GLN A 5 -3.160 -1.723 -4.932 1.00 0.00 H +ATOM 91 HE21 GLN A 5 -4.471 -2.439 -7.427 1.00 0.00 H +ATOM 92 HE22 GLN A 5 -5.746 -3.581 -7.000 1.00 0.00 H +ATOM 93 N TRP A 6 -2.243 -0.575 -1.581 1.00 0.00 N +ATOM 94 CA TRP A 6 -0.858 -0.716 -1.118 1.00 0.00 C +ATOM 95 C TRP A 6 -0.699 -1.828 -0.069 1.00 0.00 C +ATOM 96 O TRP A 6 0.195 -2.668 -0.194 1.00 0.00 O +ATOM 97 CB TRP A 6 -0.351 0.624 -0.585 1.00 0.00 C +ATOM 98 CG TRP A 6 1.048 0.578 -0.054 1.00 0.00 C +ATOM 99 CD1 TRP A 6 2.171 0.607 -0.807 1.00 0.00 C +ATOM 100 CD2 TRP A 6 1.497 0.476 1.333 1.00 0.00 C +ATOM 101 NE1 TRP A 6 3.277 0.517 0.018 1.00 0.00 N +ATOM 102 CE2 TRP A 6 2.921 0.430 1.339 1.00 0.00 C +ATOM 103 CE3 TRP A 6 0.854 0.427 2.590 1.00 0.00 C +ATOM 104 CZ2 TRP A 6 3.676 0.352 2.517 1.00 0.00 C +ATOM 105 CZ3 TRP A 6 1.600 0.338 3.783 1.00 0.00 C +ATOM 106 CH2 TRP A 6 3.006 0.310 3.748 1.00 0.00 C +ATOM 107 H TRP A 6 -2.729 0.304 -1.422 1.00 0.00 H +ATOM 108 HA TRP A 6 -0.238 -0.999 -1.969 1.00 0.00 H +ATOM 109 HB2 TRP A 6 -0.385 1.340 -1.384 1.00 0.00 H +ATOM 110 HB3 TRP A 6 -1.007 0.967 0.214 1.00 0.00 H +ATOM 111 HD1 TRP A 6 2.193 0.693 -1.885 1.00 0.00 H +ATOM 112 HE1 TRP A 6 4.245 0.568 -0.288 1.00 0.00 H +ATOM 113 HE3 TRP A 6 -0.224 0.468 2.624 1.00 0.00 H +ATOM 114 HZ2 TRP A 6 4.754 0.329 2.457 1.00 0.00 H +ATOM 115 HZ3 TRP A 6 1.091 0.294 4.733 1.00 0.00 H +ATOM 116 HH2 TRP A 6 3.573 0.259 4.666 1.00 0.00 H +ATOM 117 N LEU A 7 -1.582 -1.882 0.939 1.00 0.00 N +ATOM 118 CA LEU A 7 -1.603 -2.983 1.905 1.00 0.00 C +ATOM 119 C LEU A 7 -1.840 -4.339 1.225 1.00 0.00 C +ATOM 120 O LEU A 7 -1.195 -5.312 1.611 1.00 0.00 O +ATOM 121 CB LEU A 7 -2.648 -2.725 3.008 1.00 0.00 C +ATOM 122 CG LEU A 7 -2.246 -1.632 4.018 1.00 0.00 C +ATOM 123 CD1 LEU A 7 -3.417 -1.351 4.965 1.00 0.00 C +ATOM 124 CD2 LEU A 7 -1.033 -2.033 4.868 1.00 0.00 C +ATOM 125 H LEU A 7 -2.278 -1.141 1.019 1.00 0.00 H +ATOM 126 HA LEU A 7 -0.618 -3.051 2.362 1.00 0.00 H +ATOM 127 HB2 LEU A 7 -3.566 -2.428 2.539 1.00 0.00 H +ATOM 128 HB3 LEU A 7 -2.811 -3.653 3.557 1.00 0.00 H +ATOM 129 HG LEU A 7 -2.009 -0.713 3.490 1.00 0.00 H +ATOM 130 HD11 LEU A 7 -4.299 -1.072 4.387 1.00 0.00 H +ATOM 131 HD12 LEU A 7 -3.642 -2.240 5.555 1.00 0.00 H +ATOM 132 HD13 LEU A 7 -3.161 -0.532 5.635 1.00 0.00 H +ATOM 133 HD21 LEU A 7 -1.219 -2.989 5.358 1.00 0.00 H +ATOM 134 HD22 LEU A 7 -0.146 -2.116 4.244 1.00 0.00 H +ATOM 135 HD23 LEU A 7 -0.847 -1.273 5.626 1.00 0.00 H +ATOM 136 N LYS A 8 -2.685 -4.402 0.182 1.00 0.00 N +ATOM 137 CA LYS A 8 -2.936 -5.625 -0.601 1.00 0.00 C +ATOM 138 C LYS A 8 -1.667 -6.232 -1.217 1.00 0.00 C +ATOM 139 O LYS A 8 -1.582 -7.450 -1.336 1.00 0.00 O +ATOM 140 CB LYS A 8 -3.985 -5.346 -1.693 1.00 0.00 C +ATOM 141 CG LYS A 8 -4.692 -6.641 -2.114 1.00 0.00 C +ATOM 142 CD LYS A 8 -5.718 -6.428 -3.232 1.00 0.00 C +ATOM 143 CE LYS A 8 -5.032 -6.294 -4.599 1.00 0.00 C +ATOM 144 NZ LYS A 8 -5.771 -7.040 -5.645 1.00 0.00 N +ATOM 145 H LYS A 8 -3.211 -3.559 -0.040 1.00 0.00 H +ATOM 146 HA LYS A 8 -3.336 -6.373 0.084 1.00 0.00 H +ATOM 147 HB2 LYS A 8 -4.713 -4.655 -1.313 1.00 0.00 H +ATOM 148 HB3 LYS A 8 -3.500 -4.897 -2.560 1.00 0.00 H +ATOM 149 HG2 LYS A 8 -3.952 -7.338 -2.457 1.00 0.00 H +ATOM 150 HG3 LYS A 8 -5.210 -7.046 -1.244 1.00 0.00 H +ATOM 151 HD2 LYS A 8 -6.387 -7.266 -3.257 1.00 0.00 H +ATOM 152 HD3 LYS A 8 -6.315 -5.536 -3.029 1.00 0.00 H +ATOM 153 HE2 LYS A 8 -4.993 -5.257 -4.871 1.00 0.00 H +ATOM 154 HE3 LYS A 8 -4.012 -6.679 -4.526 1.00 0.00 H +ATOM 155 HZ1 LYS A 8 -5.793 -8.024 -5.407 1.00 0.00 H +ATOM 156 HZ2 LYS A 8 -6.721 -6.700 -5.709 1.00 0.00 H +ATOM 157 HZ3 LYS A 8 -5.316 -6.938 -6.542 1.00 0.00 H +ATOM 158 N ASP A 9 -0.684 -5.400 -1.577 1.00 0.00 N +ATOM 159 CA ASP A 9 0.625 -5.836 -2.086 1.00 0.00 C +ATOM 160 C ASP A 9 1.499 -6.498 -0.998 1.00 0.00 C +ATOM 161 O ASP A 9 2.414 -7.249 -1.327 1.00 0.00 O +ATOM 162 CB ASP A 9 1.344 -4.617 -2.703 1.00 0.00 C +ATOM 163 CG ASP A 9 2.032 -4.934 -4.036 1.00 0.00 C +ATOM 164 OD1 ASP A 9 1.293 -5.094 -5.034 1.00 0.00 O +ATOM 165 OD2 ASP A 9 3.282 -4.935 -4.072 1.00 0.00 O +ATOM 166 H ASP A 9 -0.848 -4.407 -1.477 1.00 0.00 H +ATOM 167 HA ASP A 9 0.459 -6.576 -2.871 1.00 0.00 H +ATOM 168 HB2 ASP A 9 0.621 -3.842 -2.868 1.00 0.00 H +ATOM 169 HB3 ASP A 9 2.073 -4.222 -1.993 1.00 0.00 H +ATOM 170 N GLY A 10 1.197 -6.249 0.290 1.00 0.00 N +ATOM 171 CA GLY A 10 1.964 -6.697 1.458 1.00 0.00 C +ATOM 172 C GLY A 10 2.454 -5.562 2.375 1.00 0.00 C +ATOM 173 O GLY A 10 3.219 -5.821 3.307 1.00 0.00 O +ATOM 174 H GLY A 10 0.340 -5.733 0.471 1.00 0.00 H +ATOM 175 HA2 GLY A 10 1.338 -7.359 2.052 1.00 0.00 H +ATOM 176 HA3 GLY A 10 2.839 -7.260 1.131 1.00 0.00 H +ATOM 177 N GLY A 11 2.062 -4.303 2.120 1.00 0.00 N +ATOM 178 CA GLY A 11 2.530 -3.141 2.879 1.00 0.00 C +ATOM 179 C GLY A 11 4.060 -2.973 2.802 1.00 0.00 C +ATOM 180 O GLY A 11 4.611 -3.075 1.699 1.00 0.00 O +ATOM 181 H GLY A 11 1.492 -4.143 1.300 1.00 0.00 H +ATOM 182 HA2 GLY A 11 2.070 -2.244 2.466 1.00 0.00 H +ATOM 183 HA3 GLY A 11 2.200 -3.255 3.909 1.00 0.00 H +ATOM 184 N PRO A 12 4.771 -2.727 3.926 1.00 0.00 N +ATOM 185 CA PRO A 12 6.226 -2.519 3.940 1.00 0.00 C +ATOM 186 C PRO A 12 7.037 -3.646 3.278 1.00 0.00 C +ATOM 187 O PRO A 12 8.097 -3.395 2.709 1.00 0.00 O +ATOM 188 CB PRO A 12 6.621 -2.378 5.418 1.00 0.00 C +ATOM 189 CG PRO A 12 5.327 -1.974 6.119 1.00 0.00 C +ATOM 190 CD PRO A 12 4.247 -2.658 5.284 1.00 0.00 C +ATOM 191 HA PRO A 12 6.447 -1.585 3.423 1.00 0.00 H +ATOM 192 HB2 PRO A 12 6.987 -3.310 5.804 1.00 0.00 H +ATOM 193 HB3 PRO A 12 7.399 -1.626 5.554 1.00 0.00 H +ATOM 194 HG2 PRO A 12 5.312 -2.328 7.132 1.00 0.00 H +ATOM 195 HG3 PRO A 12 5.205 -0.892 6.065 1.00 0.00 H +ATOM 196 HD2 PRO A 12 4.054 -3.644 5.660 1.00 0.00 H +ATOM 197 HD3 PRO A 12 3.323 -2.082 5.337 1.00 0.00 H +ATOM 198 N SER A 13 6.521 -4.880 3.304 1.00 0.00 N +ATOM 199 CA SER A 13 7.176 -6.096 2.804 1.00 0.00 C +ATOM 200 C SER A 13 7.053 -6.286 1.281 1.00 0.00 C +ATOM 201 O SER A 13 7.203 -7.401 0.787 1.00 0.00 O +ATOM 202 CB SER A 13 6.621 -7.302 3.574 1.00 0.00 C +ATOM 203 OG SER A 13 6.881 -7.134 4.956 1.00 0.00 O +ATOM 204 H SER A 13 5.621 -5.007 3.748 1.00 0.00 H +ATOM 205 HA SER A 13 8.242 -6.031 3.029 1.00 0.00 H +ATOM 206 HB2 SER A 13 5.562 -7.373 3.414 1.00 0.00 H +ATOM 207 HB3 SER A 13 7.106 -8.216 3.229 1.00 0.00 H +ATOM 208 HG SER A 13 6.464 -7.849 5.442 1.00 0.00 H +ATOM 209 N SER A 14 6.792 -5.202 0.538 1.00 0.00 N +ATOM 210 CA SER A 14 6.428 -5.207 -0.894 1.00 0.00 C +ATOM 211 C SER A 14 7.386 -4.379 -1.769 1.00 0.00 C +ATOM 212 O SER A 14 7.101 -4.123 -2.941 1.00 0.00 O +ATOM 213 CB SER A 14 4.978 -4.731 -1.093 1.00 0.00 C +ATOM 214 OG SER A 14 4.172 -4.953 0.037 1.00 0.00 O +ATOM 215 H SER A 14 6.675 -4.342 1.057 1.00 0.00 H +ATOM 216 HA SER A 14 6.470 -6.235 -1.257 1.00 0.00 H +ATOM 217 HB2 SER A 14 4.988 -3.679 -1.305 1.00 0.00 H +ATOM 218 HB3 SER A 14 4.551 -5.239 -1.956 1.00 0.00 H +ATOM 219 HG SER A 14 4.342 -4.220 0.679 1.00 0.00 H +ATOM 220 N GLY A 15 8.502 -3.913 -1.182 1.00 0.00 N +ATOM 221 CA GLY A 15 9.546 -3.129 -1.849 1.00 0.00 C +ATOM 222 C GLY A 15 9.114 -1.724 -2.287 1.00 0.00 C +ATOM 223 O GLY A 15 9.680 -1.186 -3.235 1.00 0.00 O +ATOM 224 H GLY A 15 8.649 -4.194 -0.222 1.00 0.00 H +ATOM 225 HA2 GLY A 15 10.391 -3.019 -1.170 1.00 0.00 H +ATOM 226 HA3 GLY A 15 9.893 -3.670 -2.730 1.00 0.00 H +ATOM 227 N ARG A 16 8.100 -1.139 -1.630 1.00 0.00 N +ATOM 228 CA ARG A 16 7.450 0.119 -2.030 1.00 0.00 C +ATOM 229 C ARG A 16 6.928 0.911 -0.816 1.00 0.00 C +ATOM 230 O ARG A 16 6.269 0.321 0.044 1.00 0.00 O +ATOM 231 CB ARG A 16 6.317 -0.179 -3.034 1.00 0.00 C +ATOM 232 CG ARG A 16 5.288 -1.191 -2.504 1.00 0.00 C +ATOM 233 CD ARG A 16 4.285 -1.659 -3.553 1.00 0.00 C +ATOM 234 NE ARG A 16 4.933 -2.527 -4.549 1.00 0.00 N +ATOM 235 CZ ARG A 16 4.527 -2.735 -5.794 1.00 0.00 C +ATOM 236 NH1 ARG A 16 3.493 -2.100 -6.302 1.00 0.00 N +ATOM 237 NH2 ARG A 16 5.167 -3.578 -6.566 1.00 0.00 N +ATOM 238 H ARG A 16 7.708 -1.640 -0.844 1.00 0.00 H +ATOM 239 HA ARG A 16 8.196 0.717 -2.550 1.00 0.00 H +ATOM 240 HB2 ARG A 16 5.809 0.739 -3.257 1.00 0.00 H +ATOM 241 HB3 ARG A 16 6.768 -0.575 -3.945 1.00 0.00 H +ATOM 242 HG2 ARG A 16 5.817 -2.049 -2.135 1.00 0.00 H +ATOM 243 HG3 ARG A 16 4.734 -0.757 -1.678 1.00 0.00 H +ATOM 244 HD2 ARG A 16 3.499 -2.206 -3.068 1.00 0.00 H +ATOM 245 HD3 ARG A 16 3.837 -0.783 -4.024 1.00 0.00 H +ATOM 246 HE ARG A 16 5.648 -3.155 -4.195 1.00 0.00 H +ATOM 247 HH11 ARG A 16 2.947 -1.544 -5.671 1.00 0.00 H +ATOM 248 HH12 ARG A 16 3.153 -2.320 -7.218 1.00 0.00 H +ATOM 249 HH21 ARG A 16 5.883 -4.149 -6.152 1.00 0.00 H +ATOM 250 HH22 ARG A 16 4.831 -3.768 -7.490 1.00 0.00 H +ATOM 251 N PRO A 17 7.167 2.235 -0.738 1.00 0.00 N +ATOM 252 CA PRO A 17 6.698 3.071 0.368 1.00 0.00 C +ATOM 253 C PRO A 17 5.171 3.287 0.323 1.00 0.00 C +ATOM 254 O PRO A 17 4.562 3.090 -0.732 1.00 0.00 O +ATOM 255 CB PRO A 17 7.457 4.393 0.202 1.00 0.00 C +ATOM 256 CG PRO A 17 7.658 4.498 -1.308 1.00 0.00 C +ATOM 257 CD PRO A 17 7.864 3.045 -1.729 1.00 0.00 C +ATOM 258 HA PRO A 17 6.972 2.607 1.317 1.00 0.00 H +ATOM 259 HB2 PRO A 17 6.878 5.217 0.571 1.00 0.00 H +ATOM 260 HB3 PRO A 17 8.428 4.317 0.695 1.00 0.00 H +ATOM 261 HG2 PRO A 17 6.793 4.919 -1.784 1.00 0.00 H +ATOM 262 HG3 PRO A 17 8.520 5.115 -1.561 1.00 0.00 H +ATOM 263 HD2 PRO A 17 7.450 2.878 -2.705 1.00 0.00 H +ATOM 264 HD3 PRO A 17 8.927 2.802 -1.714 1.00 0.00 H +ATOM 265 N PRO A 18 4.543 3.703 1.441 1.00 0.00 N +ATOM 266 CA PRO A 18 3.105 3.956 1.499 1.00 0.00 C +ATOM 267 C PRO A 18 2.686 5.190 0.673 1.00 0.00 C +ATOM 268 O PRO A 18 3.440 6.163 0.597 1.00 0.00 O +ATOM 269 CB PRO A 18 2.777 4.132 2.983 1.00 0.00 C +ATOM 270 CG PRO A 18 4.091 4.608 3.598 1.00 0.00 C +ATOM 271 CD PRO A 18 5.149 3.902 2.752 1.00 0.00 C +ATOM 272 HA PRO A 18 2.585 3.075 1.131 1.00 0.00 H +ATOM 273 HB2 PRO A 18 2.005 4.865 3.119 1.00 0.00 H +ATOM 274 HB3 PRO A 18 2.506 3.167 3.411 1.00 0.00 H +ATOM 275 HG2 PRO A 18 4.187 5.674 3.523 1.00 0.00 H +ATOM 276 HG3 PRO A 18 4.169 4.334 4.651 1.00 0.00 H +ATOM 277 HD2 PRO A 18 6.028 4.511 2.668 1.00 0.00 H +ATOM 278 HD3 PRO A 18 5.384 2.932 3.191 1.00 0.00 H +ATOM 279 N PRO A 19 1.485 5.179 0.063 1.00 0.00 N +ATOM 280 CA PRO A 19 0.959 6.296 -0.711 1.00 0.00 C +ATOM 281 C PRO A 19 0.308 7.346 0.205 1.00 0.00 C +ATOM 282 O PRO A 19 -0.866 7.217 0.563 1.00 0.00 O +ATOM 283 CB PRO A 19 -0.038 5.662 -1.685 1.00 0.00 C +ATOM 284 CG PRO A 19 -0.611 4.494 -0.880 1.00 0.00 C +ATOM 285 CD PRO A 19 0.571 4.046 -0.020 1.00 0.00 C +ATOM 286 HA PRO A 19 1.758 6.771 -1.284 1.00 0.00 H +ATOM 287 HB2 PRO A 19 -0.808 6.358 -1.956 1.00 0.00 H +ATOM 288 HB3 PRO A 19 0.500 5.276 -2.551 1.00 0.00 H +ATOM 289 HG2 PRO A 19 -1.432 4.815 -0.268 1.00 0.00 H +ATOM 290 HG3 PRO A 19 -0.960 3.695 -1.533 1.00 0.00 H +ATOM 291 HD2 PRO A 19 0.232 3.772 0.961 1.00 0.00 H +ATOM 292 HD3 PRO A 19 1.080 3.221 -0.514 1.00 0.00 H +ATOM 293 N SER A 20 1.081 8.389 0.531 1.00 0.00 N +ATOM 294 CA SER A 20 0.712 9.526 1.401 1.00 0.00 C +ATOM 295 C SER A 20 0.588 9.160 2.890 1.00 0.00 C +ATOM 296 O SER A 20 0.262 10.095 3.652 1.00 0.00 O +ATOM 297 CB SER A 20 -0.566 10.221 0.907 1.00 0.00 C +ATOM 298 OG SER A 20 -0.448 10.583 -0.457 1.00 0.00 O +ATOM 299 OXT SER A 20 0.841 7.989 3.253 1.00 0.00 O +ATOM 300 H SER A 20 2.044 8.336 0.235 1.00 0.00 H +ATOM 301 HA SER A 20 1.510 10.263 1.347 1.00 0.00 H +ATOM 302 HB2 SER A 20 -1.397 9.552 1.023 1.00 0.00 H +ATOM 303 HB3 SER A 20 -0.739 11.118 1.507 1.00 0.00 H +ATOM 304 HG SER A 20 -1.325 10.595 -0.845 1.00 0.00 H +TER 305 SER A 20 +ENDMDL +MODEL 6 +ATOM 1 N ASN A 1 -8.386 5.528 0.323 1.00 0.00 N +ATOM 2 CA ASN A 1 -7.252 6.475 0.201 1.00 0.00 C +ATOM 3 C ASN A 1 -5.976 5.793 -0.320 1.00 0.00 C +ATOM 4 O ASN A 1 -4.928 5.981 0.279 1.00 0.00 O +ATOM 5 CB ASN A 1 -6.989 7.168 1.563 1.00 0.00 C +ATOM 6 CG ASN A 1 -8.182 7.971 2.069 1.00 0.00 C +ATOM 7 OD1 ASN A 1 -9.321 7.671 1.737 1.00 0.00 O +ATOM 8 ND2 ASN A 1 -7.956 8.989 2.877 1.00 0.00 N +ATOM 9 H1 ASN A 1 -8.680 5.191 -0.583 1.00 0.00 H +ATOM 10 H2 ASN A 1 -8.133 4.750 0.917 1.00 0.00 H +ATOM 11 H3 ASN A 1 -9.162 6.024 0.757 1.00 0.00 H +ATOM 12 HA ASN A 1 -7.519 7.256 -0.513 1.00 0.00 H +ATOM 13 HB2 ASN A 1 -6.753 6.414 2.289 1.00 0.00 H +ATOM 14 HB3 ASN A 1 -6.141 7.847 1.464 1.00 0.00 H +ATOM 15 HD21 ASN A 1 -7.025 9.245 3.168 1.00 0.00 H +ATOM 16 HD22 ASN A 1 -8.768 9.497 3.186 1.00 0.00 H +ATOM 17 N LEU A 2 -6.033 4.992 -1.399 1.00 0.00 N +ATOM 18 CA LEU A 2 -4.893 4.279 -2.026 1.00 0.00 C +ATOM 19 C LEU A 2 -4.189 3.209 -1.150 1.00 0.00 C +ATOM 20 O LEU A 2 -3.787 2.161 -1.653 1.00 0.00 O +ATOM 21 CB LEU A 2 -3.898 5.323 -2.592 1.00 0.00 C +ATOM 22 CG LEU A 2 -3.403 5.048 -4.026 1.00 0.00 C +ATOM 23 CD1 LEU A 2 -4.520 5.284 -5.049 1.00 0.00 C +ATOM 24 CD2 LEU A 2 -2.245 5.991 -4.373 1.00 0.00 C +ATOM 25 H LEU A 2 -6.896 4.918 -1.915 1.00 0.00 H +ATOM 26 HA LEU A 2 -5.303 3.724 -2.868 1.00 0.00 H +ATOM 27 HB2 LEU A 2 -4.382 6.281 -2.586 1.00 0.00 H +ATOM 28 HB3 LEU A 2 -3.041 5.381 -1.923 1.00 0.00 H +ATOM 29 HG LEU A 2 -3.055 4.018 -4.106 1.00 0.00 H +ATOM 30 HD11 LEU A 2 -5.356 4.614 -4.868 1.00 0.00 H +ATOM 31 HD12 LEU A 2 -4.864 6.318 -4.993 1.00 0.00 H +ATOM 32 HD13 LEU A 2 -4.141 5.093 -6.053 1.00 0.00 H +ATOM 33 HD21 LEU A 2 -2.447 7.000 -4.006 1.00 0.00 H +ATOM 34 HD22 LEU A 2 -1.330 5.621 -3.919 1.00 0.00 H +ATOM 35 HD23 LEU A 2 -2.089 6.031 -5.450 1.00 0.00 H +ATOM 36 N TYR A 3 -4.112 3.429 0.165 1.00 0.00 N +ATOM 37 CA TYR A 3 -3.496 2.595 1.193 1.00 0.00 C +ATOM 38 C TYR A 3 -4.014 1.148 1.203 1.00 0.00 C +ATOM 39 O TYR A 3 -3.249 0.231 1.485 1.00 0.00 O +ATOM 40 CB TYR A 3 -3.710 3.279 2.555 1.00 0.00 C +ATOM 41 CG TYR A 3 -2.553 3.084 3.510 1.00 0.00 C +ATOM 42 CD1 TYR A 3 -2.456 1.903 4.268 1.00 0.00 C +ATOM 43 CD2 TYR A 3 -1.561 4.078 3.620 1.00 0.00 C +ATOM 44 CE1 TYR A 3 -1.355 1.701 5.120 1.00 0.00 C +ATOM 45 CE2 TYR A 3 -0.454 3.878 4.467 1.00 0.00 C +ATOM 46 CZ TYR A 3 -0.345 2.682 5.210 1.00 0.00 C +ATOM 47 OH TYR A 3 0.737 2.459 6.003 1.00 0.00 O +ATOM 48 H TYR A 3 -4.356 4.372 0.451 1.00 0.00 H +ATOM 49 HA TYR A 3 -2.424 2.563 0.995 1.00 0.00 H +ATOM 50 HB2 TYR A 3 -3.843 4.331 2.391 1.00 0.00 H +ATOM 51 HB3 TYR A 3 -4.629 2.908 3.015 1.00 0.00 H +ATOM 52 HD1 TYR A 3 -3.225 1.149 4.184 1.00 0.00 H +ATOM 53 HD2 TYR A 3 -1.654 5.000 3.056 1.00 0.00 H +ATOM 54 HE1 TYR A 3 -1.263 0.796 5.701 1.00 0.00 H +ATOM 55 HE2 TYR A 3 0.299 4.646 4.556 1.00 0.00 H +ATOM 56 HH TYR A 3 1.435 3.096 5.844 1.00 0.00 H +ATOM 57 N ILE A 4 -5.288 0.927 0.844 1.00 0.00 N +ATOM 58 CA ILE A 4 -5.882 -0.413 0.700 1.00 0.00 C +ATOM 59 C ILE A 4 -5.155 -1.216 -0.392 1.00 0.00 C +ATOM 60 O ILE A 4 -4.783 -2.368 -0.166 1.00 0.00 O +ATOM 61 CB ILE A 4 -7.403 -0.333 0.415 1.00 0.00 C +ATOM 62 CG1 ILE A 4 -8.165 0.597 1.397 1.00 0.00 C +ATOM 63 CG2 ILE A 4 -8.025 -1.739 0.474 1.00 0.00 C +ATOM 64 CD1 ILE A 4 -8.569 1.925 0.742 1.00 0.00 C +ATOM 65 H ILE A 4 -5.849 1.736 0.639 1.00 0.00 H +ATOM 66 HA ILE A 4 -5.742 -0.945 1.643 1.00 0.00 H +ATOM 67 HB ILE A 4 -7.545 0.041 -0.602 1.00 0.00 H +ATOM 68 HG12 ILE A 4 -9.051 0.094 1.733 1.00 0.00 H +ATOM 69 HG13 ILE A 4 -7.558 0.797 2.280 1.00 0.00 H +ATOM 70 HG21 ILE A 4 -7.561 -2.398 -0.261 1.00 0.00 H +ATOM 71 HG22 ILE A 4 -7.892 -2.168 1.469 1.00 0.00 H +ATOM 72 HG23 ILE A 4 -9.091 -1.683 0.250 1.00 0.00 H +ATOM 73 HD11 ILE A 4 -7.690 2.447 0.367 1.00 0.00 H +ATOM 74 HD12 ILE A 4 -9.256 1.730 -0.083 1.00 0.00 H +ATOM 75 HD13 ILE A 4 -9.076 2.550 1.478 1.00 0.00 H +ATOM 76 N GLN A 5 -4.919 -0.602 -1.563 1.00 0.00 N +ATOM 77 CA GLN A 5 -4.148 -1.213 -2.650 1.00 0.00 C +ATOM 78 C GLN A 5 -2.698 -1.477 -2.220 1.00 0.00 C +ATOM 79 O GLN A 5 -2.176 -2.563 -2.456 1.00 0.00 O +ATOM 80 CB GLN A 5 -4.189 -0.338 -3.923 1.00 0.00 C +ATOM 81 CG GLN A 5 -5.048 -0.952 -5.043 1.00 0.00 C +ATOM 82 CD GLN A 5 -4.557 -0.530 -6.426 1.00 0.00 C +ATOM 83 OE1 GLN A 5 -3.843 -1.254 -7.098 1.00 0.00 O +ATOM 84 NE2 GLN A 5 -4.900 0.648 -6.907 1.00 0.00 N +ATOM 85 H GLN A 5 -5.147 0.379 -1.642 1.00 0.00 H +ATOM 86 HA GLN A 5 -4.590 -2.184 -2.870 1.00 0.00 H +ATOM 87 HB2 GLN A 5 -4.595 0.621 -3.666 1.00 0.00 H +ATOM 88 HB3 GLN A 5 -3.171 -0.226 -4.301 1.00 0.00 H +ATOM 89 HG2 GLN A 5 -5.003 -2.022 -4.969 1.00 0.00 H +ATOM 90 HG3 GLN A 5 -6.090 -0.657 -4.912 1.00 0.00 H +ATOM 91 HE21 GLN A 5 -5.491 1.299 -6.420 1.00 0.00 H +ATOM 92 HE22 GLN A 5 -4.516 0.824 -7.820 1.00 0.00 H +ATOM 93 N TRP A 6 -2.058 -0.514 -1.548 1.00 0.00 N +ATOM 94 CA TRP A 6 -0.698 -0.699 -1.033 1.00 0.00 C +ATOM 95 C TRP A 6 -0.598 -1.819 0.024 1.00 0.00 C +ATOM 96 O TRP A 6 0.351 -2.603 0.007 1.00 0.00 O +ATOM 97 CB TRP A 6 -0.182 0.633 -0.487 1.00 0.00 C +ATOM 98 CG TRP A 6 1.208 0.559 0.054 1.00 0.00 C +ATOM 99 CD1 TRP A 6 2.340 0.584 -0.684 1.00 0.00 C +ATOM 100 CD2 TRP A 6 1.636 0.399 1.441 1.00 0.00 C +ATOM 101 NE1 TRP A 6 3.434 0.426 0.145 1.00 0.00 N +ATOM 102 CE2 TRP A 6 3.060 0.338 1.464 1.00 0.00 C +ATOM 103 CE3 TRP A 6 0.968 0.306 2.680 1.00 0.00 C +ATOM 104 CZ2 TRP A 6 3.793 0.231 2.652 1.00 0.00 C +ATOM 105 CZ3 TRP A 6 1.692 0.176 3.881 1.00 0.00 C +ATOM 106 CH2 TRP A 6 3.098 0.160 3.871 1.00 0.00 C +ATOM 107 H TRP A 6 -2.537 0.370 -1.411 1.00 0.00 H +ATOM 108 HA TRP A 6 -0.056 -0.999 -1.865 1.00 0.00 H +ATOM 109 HB2 TRP A 6 -0.199 1.355 -1.281 1.00 0.00 H +ATOM 110 HB3 TRP A 6 -0.845 0.977 0.306 1.00 0.00 H +ATOM 111 HD1 TRP A 6 2.372 0.691 -1.760 1.00 0.00 H +ATOM 112 HE1 TRP A 6 4.406 0.397 -0.171 1.00 0.00 H +ATOM 113 HE3 TRP A 6 -0.111 0.343 2.699 1.00 0.00 H +ATOM 114 HZ2 TRP A 6 4.871 0.201 2.617 1.00 0.00 H +ATOM 115 HZ3 TRP A 6 1.165 0.101 4.820 1.00 0.00 H +ATOM 116 HH2 TRP A 6 3.644 0.086 4.800 1.00 0.00 H +ATOM 117 N LEU A 7 -1.583 -1.947 0.921 1.00 0.00 N +ATOM 118 CA LEU A 7 -1.656 -3.076 1.851 1.00 0.00 C +ATOM 119 C LEU A 7 -1.870 -4.413 1.124 1.00 0.00 C +ATOM 120 O LEU A 7 -1.239 -5.396 1.507 1.00 0.00 O +ATOM 121 CB LEU A 7 -2.744 -2.838 2.914 1.00 0.00 C +ATOM 122 CG LEU A 7 -2.336 -1.840 4.014 1.00 0.00 C +ATOM 123 CD1 LEU A 7 -3.558 -1.525 4.882 1.00 0.00 C +ATOM 124 CD2 LEU A 7 -1.236 -2.386 4.934 1.00 0.00 C +ATOM 125 H LEU A 7 -2.308 -1.232 0.953 1.00 0.00 H +ATOM 126 HA LEU A 7 -0.691 -3.164 2.348 1.00 0.00 H +ATOM 127 HB2 LEU A 7 -3.619 -2.459 2.422 1.00 0.00 H +ATOM 128 HB3 LEU A 7 -2.984 -3.790 3.391 1.00 0.00 H +ATOM 129 HG LEU A 7 -1.981 -0.918 3.559 1.00 0.00 H +ATOM 130 HD11 LEU A 7 -4.336 -1.072 4.269 1.00 0.00 H +ATOM 131 HD12 LEU A 7 -3.942 -2.440 5.333 1.00 0.00 H +ATOM 132 HD13 LEU A 7 -3.281 -0.829 5.675 1.00 0.00 H +ATOM 133 HD21 LEU A 7 -1.580 -3.296 5.429 1.00 0.00 H +ATOM 134 HD22 LEU A 7 -0.333 -2.606 4.369 1.00 0.00 H +ATOM 135 HD23 LEU A 7 -0.987 -1.645 5.691 1.00 0.00 H +ATOM 136 N LYS A 8 -2.686 -4.452 0.056 1.00 0.00 N +ATOM 137 CA LYS A 8 -2.868 -5.634 -0.809 1.00 0.00 C +ATOM 138 C LYS A 8 -1.553 -6.182 -1.385 1.00 0.00 C +ATOM 139 O LYS A 8 -1.446 -7.398 -1.524 1.00 0.00 O +ATOM 140 CB LYS A 8 -3.855 -5.315 -1.947 1.00 0.00 C +ATOM 141 CG LYS A 8 -5.312 -5.718 -1.691 1.00 0.00 C +ATOM 142 CD LYS A 8 -5.595 -7.194 -2.011 1.00 0.00 C +ATOM 143 CE LYS A 8 -7.083 -7.358 -2.351 1.00 0.00 C +ATOM 144 NZ LYS A 8 -7.467 -8.781 -2.499 1.00 0.00 N +ATOM 145 H LYS A 8 -3.201 -3.604 -0.166 1.00 0.00 H +ATOM 146 HA LYS A 8 -3.277 -6.443 -0.202 1.00 0.00 H +ATOM 147 HB2 LYS A 8 -3.830 -4.256 -2.119 1.00 0.00 H +ATOM 148 HB3 LYS A 8 -3.518 -5.782 -2.874 1.00 0.00 H +ATOM 149 HG2 LYS A 8 -5.538 -5.544 -0.657 1.00 0.00 H +ATOM 150 HG3 LYS A 8 -5.933 -5.099 -2.340 1.00 0.00 H +ATOM 151 HD2 LYS A 8 -4.999 -7.501 -2.849 1.00 0.00 H +ATOM 152 HD3 LYS A 8 -5.322 -7.812 -1.153 1.00 0.00 H +ATOM 153 HE2 LYS A 8 -7.668 -6.922 -1.564 1.00 0.00 H +ATOM 154 HE3 LYS A 8 -7.274 -6.823 -3.286 1.00 0.00 H +ATOM 155 HZ1 LYS A 8 -6.831 -9.251 -3.130 1.00 0.00 H +ATOM 156 HZ2 LYS A 8 -7.436 -9.244 -1.601 1.00 0.00 H +ATOM 157 HZ3 LYS A 8 -8.406 -8.854 -2.869 1.00 0.00 H +ATOM 158 N ASP A 9 -0.560 -5.331 -1.687 1.00 0.00 N +ATOM 159 CA ASP A 9 0.784 -5.780 -2.096 1.00 0.00 C +ATOM 160 C ASP A 9 1.568 -6.488 -0.965 1.00 0.00 C +ATOM 161 O ASP A 9 2.503 -7.234 -1.258 1.00 0.00 O +ATOM 162 CB ASP A 9 1.632 -4.594 -2.600 1.00 0.00 C +ATOM 163 CG ASP A 9 1.231 -4.011 -3.959 1.00 0.00 C +ATOM 164 OD1 ASP A 9 1.430 -4.722 -4.969 1.00 0.00 O +ATOM 165 OD2 ASP A 9 0.856 -2.815 -4.003 1.00 0.00 O +ATOM 166 H ASP A 9 -0.747 -4.339 -1.618 1.00 0.00 H +ATOM 167 HA ASP A 9 0.686 -6.498 -2.912 1.00 0.00 H +ATOM 168 HB2 ASP A 9 1.563 -3.808 -1.872 1.00 0.00 H +ATOM 169 HB3 ASP A 9 2.656 -4.948 -2.713 1.00 0.00 H +ATOM 170 N GLY A 10 1.199 -6.278 0.311 1.00 0.00 N +ATOM 171 CA GLY A 10 1.937 -6.750 1.490 1.00 0.00 C +ATOM 172 C GLY A 10 2.431 -5.639 2.432 1.00 0.00 C +ATOM 173 O GLY A 10 3.200 -5.926 3.352 1.00 0.00 O +ATOM 174 H GLY A 10 0.336 -5.769 0.474 1.00 0.00 H +ATOM 175 HA2 GLY A 10 1.286 -7.408 2.066 1.00 0.00 H +ATOM 176 HA3 GLY A 10 2.807 -7.329 1.179 1.00 0.00 H +ATOM 177 N GLY A 11 2.031 -4.376 2.219 1.00 0.00 N +ATOM 178 CA GLY A 11 2.470 -3.241 3.034 1.00 0.00 C +ATOM 179 C GLY A 11 4.000 -3.062 3.006 1.00 0.00 C +ATOM 180 O GLY A 11 4.575 -3.113 1.914 1.00 0.00 O +ATOM 181 H GLY A 11 1.469 -4.186 1.397 1.00 0.00 H +ATOM 182 HA2 GLY A 11 2.015 -2.334 2.636 1.00 0.00 H +ATOM 183 HA3 GLY A 11 2.114 -3.391 4.051 1.00 0.00 H +ATOM 184 N PRO A 12 4.686 -2.853 4.152 1.00 0.00 N +ATOM 185 CA PRO A 12 6.138 -2.627 4.199 1.00 0.00 C +ATOM 186 C PRO A 12 6.979 -3.705 3.499 1.00 0.00 C +ATOM 187 O PRO A 12 8.023 -3.398 2.928 1.00 0.00 O +ATOM 188 CB PRO A 12 6.504 -2.546 5.686 1.00 0.00 C +ATOM 189 CG PRO A 12 5.198 -2.156 6.370 1.00 0.00 C +ATOM 190 CD PRO A 12 4.133 -2.817 5.498 1.00 0.00 C +ATOM 191 HA PRO A 12 6.351 -1.666 3.730 1.00 0.00 H +ATOM 192 HB2 PRO A 12 6.853 -3.495 6.045 1.00 0.00 H +ATOM 193 HB3 PRO A 12 7.286 -1.807 5.866 1.00 0.00 H +ATOM 194 HG2 PRO A 12 5.162 -2.534 7.374 1.00 0.00 H +ATOM 195 HG3 PRO A 12 5.079 -1.073 6.340 1.00 0.00 H +ATOM 196 HD2 PRO A 12 3.931 -3.812 5.845 1.00 0.00 H +ATOM 197 HD3 PRO A 12 3.207 -2.241 5.544 1.00 0.00 H +ATOM 198 N SER A 13 6.508 -4.958 3.493 1.00 0.00 N +ATOM 199 CA SER A 13 7.189 -6.103 2.872 1.00 0.00 C +ATOM 200 C SER A 13 7.058 -6.147 1.336 1.00 0.00 C +ATOM 201 O SER A 13 7.435 -7.142 0.722 1.00 0.00 O +ATOM 202 CB SER A 13 6.693 -7.403 3.522 1.00 0.00 C +ATOM 203 OG SER A 13 7.056 -7.403 4.891 1.00 0.00 O +ATOM 204 H SER A 13 5.629 -5.143 3.955 1.00 0.00 H +ATOM 205 HA SER A 13 8.255 -6.026 3.087 1.00 0.00 H +ATOM 206 HB2 SER A 13 5.625 -7.465 3.433 1.00 0.00 H +ATOM 207 HB3 SER A 13 7.159 -8.260 3.034 1.00 0.00 H +ATOM 208 HG SER A 13 6.918 -8.284 5.253 1.00 0.00 H +ATOM 209 N SER A 14 6.545 -5.077 0.709 1.00 0.00 N +ATOM 210 CA SER A 14 6.283 -4.978 -0.737 1.00 0.00 C +ATOM 211 C SER A 14 7.371 -4.237 -1.526 1.00 0.00 C +ATOM 212 O SER A 14 7.218 -4.034 -2.732 1.00 0.00 O +ATOM 213 CB SER A 14 4.974 -4.222 -0.999 1.00 0.00 C +ATOM 214 OG SER A 14 3.964 -4.544 -0.082 1.00 0.00 O +ATOM 215 H SER A 14 6.237 -4.313 1.299 1.00 0.00 H +ATOM 216 HA SER A 14 6.178 -5.981 -1.151 1.00 0.00 H +ATOM 217 HB2 SER A 14 5.169 -3.169 -0.937 1.00 0.00 H +ATOM 218 HB3 SER A 14 4.638 -4.447 -2.011 1.00 0.00 H +ATOM 219 HG SER A 14 4.139 -4.000 0.726 1.00 0.00 H +ATOM 220 N GLY A 15 8.414 -3.725 -0.859 1.00 0.00 N +ATOM 221 CA GLY A 15 9.471 -2.894 -1.454 1.00 0.00 C +ATOM 222 C GLY A 15 9.041 -1.455 -1.795 1.00 0.00 C +ATOM 223 O GLY A 15 9.819 -0.525 -1.599 1.00 0.00 O +ATOM 224 H GLY A 15 8.450 -3.903 0.136 1.00 0.00 H +ATOM 225 HA2 GLY A 15 10.311 -2.842 -0.764 1.00 0.00 H +ATOM 226 HA3 GLY A 15 9.822 -3.367 -2.372 1.00 0.00 H +ATOM 227 N ARG A 16 7.814 -1.262 -2.297 1.00 0.00 N +ATOM 228 CA ARG A 16 7.226 0.051 -2.611 1.00 0.00 C +ATOM 229 C ARG A 16 6.816 0.830 -1.338 1.00 0.00 C +ATOM 230 O ARG A 16 6.195 0.243 -0.447 1.00 0.00 O +ATOM 231 CB ARG A 16 6.050 -0.120 -3.595 1.00 0.00 C +ATOM 232 CG ARG A 16 4.880 -0.960 -3.052 1.00 0.00 C +ATOM 233 CD ARG A 16 3.737 -1.115 -4.058 1.00 0.00 C +ATOM 234 NE ARG A 16 4.012 -2.181 -5.038 1.00 0.00 N +ATOM 235 CZ ARG A 16 3.322 -2.423 -6.147 1.00 0.00 C +ATOM 236 NH1 ARG A 16 2.338 -1.649 -6.533 1.00 0.00 N +ATOM 237 NH2 ARG A 16 3.618 -3.461 -6.892 1.00 0.00 N +ATOM 238 H ARG A 16 7.281 -2.107 -2.474 1.00 0.00 H +ATOM 239 HA ARG A 16 8.002 0.620 -3.123 1.00 0.00 H +ATOM 240 HB2 ARG A 16 5.676 0.855 -3.843 1.00 0.00 H +ATOM 241 HB3 ARG A 16 6.426 -0.587 -4.506 1.00 0.00 H +ATOM 242 HG2 ARG A 16 5.248 -1.936 -2.800 1.00 0.00 H +ATOM 243 HG3 ARG A 16 4.474 -0.469 -2.174 1.00 0.00 H +ATOM 244 HD2 ARG A 16 2.836 -1.356 -3.526 1.00 0.00 H +ATOM 245 HD3 ARG A 16 3.570 -0.162 -4.563 1.00 0.00 H +ATOM 246 HE ARG A 16 4.727 -2.848 -4.801 1.00 0.00 H +ATOM 247 HH11 ARG A 16 1.964 -1.052 -5.816 1.00 0.00 H +ATOM 248 HH12 ARG A 16 1.772 -1.893 -7.322 1.00 0.00 H +ATOM 249 HH21 ARG A 16 4.226 -4.165 -6.517 1.00 0.00 H +ATOM 250 HH22 ARG A 16 3.002 -3.699 -7.645 1.00 0.00 H +ATOM 251 N PRO A 17 7.097 2.147 -1.240 1.00 0.00 N +ATOM 252 CA PRO A 17 6.733 2.965 -0.077 1.00 0.00 C +ATOM 253 C PRO A 17 5.211 3.205 0.012 1.00 0.00 C +ATOM 254 O PRO A 17 4.514 3.057 -0.995 1.00 0.00 O +ATOM 255 CB PRO A 17 7.499 4.279 -0.266 1.00 0.00 C +ATOM 256 CG PRO A 17 7.601 4.413 -1.783 1.00 0.00 C +ATOM 257 CD PRO A 17 7.764 2.966 -2.245 1.00 0.00 C +ATOM 258 HA PRO A 17 7.073 2.472 0.834 1.00 0.00 H +ATOM 259 HB2 PRO A 17 6.958 5.103 0.157 1.00 0.00 H +ATOM 260 HB3 PRO A 17 8.500 4.183 0.158 1.00 0.00 H +ATOM 261 HG2 PRO A 17 6.711 4.851 -2.192 1.00 0.00 H +ATOM 262 HG3 PRO A 17 8.451 5.031 -2.080 1.00 0.00 H +ATOM 263 HD2 PRO A 17 7.305 2.827 -3.205 1.00 0.00 H +ATOM 264 HD3 PRO A 17 8.823 2.707 -2.277 1.00 0.00 H +ATOM 265 N PRO A 18 4.682 3.595 1.190 1.00 0.00 N +ATOM 266 CA PRO A 18 3.257 3.860 1.368 1.00 0.00 C +ATOM 267 C PRO A 18 2.815 5.129 0.616 1.00 0.00 C +ATOM 268 O PRO A 18 3.586 6.086 0.526 1.00 0.00 O +ATOM 269 CB PRO A 18 3.049 4.007 2.879 1.00 0.00 C +ATOM 270 CG PRO A 18 4.407 4.496 3.377 1.00 0.00 C +ATOM 271 CD PRO A 18 5.393 3.792 2.447 1.00 0.00 C +ATOM 272 HA PRO A 18 2.691 3.004 1.010 1.00 0.00 H +ATOM 273 HB2 PRO A 18 2.280 4.725 3.093 1.00 0.00 H +ATOM 274 HB3 PRO A 18 2.830 3.031 3.313 1.00 0.00 H +ATOM 275 HG2 PRO A 18 4.488 5.562 3.288 1.00 0.00 H +ATOM 276 HG3 PRO A 18 4.575 4.231 4.423 1.00 0.00 H +ATOM 277 HD2 PRO A 18 6.262 4.402 2.293 1.00 0.00 H +ATOM 278 HD3 PRO A 18 5.666 2.823 2.864 1.00 0.00 H +ATOM 279 N PRO A 19 1.564 5.179 0.116 1.00 0.00 N +ATOM 280 CA PRO A 19 1.048 6.326 -0.630 1.00 0.00 C +ATOM 281 C PRO A 19 0.603 7.495 0.262 1.00 0.00 C +ATOM 282 O PRO A 19 0.510 8.619 -0.227 1.00 0.00 O +ATOM 283 CB PRO A 19 -0.136 5.763 -1.415 1.00 0.00 C +ATOM 284 CG PRO A 19 -0.683 4.666 -0.501 1.00 0.00 C +ATOM 285 CD PRO A 19 0.585 4.100 0.134 1.00 0.00 C +ATOM 286 HA PRO A 19 1.801 6.695 -1.328 1.00 0.00 H +ATOM 287 HB2 PRO A 19 -0.875 6.521 -1.589 1.00 0.00 H +ATOM 288 HB3 PRO A 19 0.239 5.311 -2.333 1.00 0.00 H +ATOM 289 HG2 PRO A 19 -1.340 5.073 0.243 1.00 0.00 H +ATOM 290 HG3 PRO A 19 -1.221 3.904 -1.064 1.00 0.00 H +ATOM 291 HD2 PRO A 19 0.390 3.791 1.143 1.00 0.00 H +ATOM 292 HD3 PRO A 19 0.959 3.279 -0.477 1.00 0.00 H +ATOM 293 N SER A 20 0.367 7.228 1.556 1.00 0.00 N +ATOM 294 CA SER A 20 -0.233 8.139 2.544 1.00 0.00 C +ATOM 295 C SER A 20 -1.656 8.585 2.160 1.00 0.00 C +ATOM 296 O SER A 20 -2.384 7.708 1.628 1.00 0.00 O +ATOM 297 CB SER A 20 0.737 9.297 2.810 1.00 0.00 C +ATOM 298 OG SER A 20 0.750 9.605 4.190 1.00 0.00 O +ATOM 299 OXT SER A 20 -2.026 9.739 2.451 1.00 0.00 O +ATOM 300 H SER A 20 0.453 6.262 1.817 1.00 0.00 H +ATOM 301 HA SER A 20 -0.350 7.592 3.476 1.00 0.00 H +ATOM 302 HB2 SER A 20 1.724 9.013 2.499 1.00 0.00 H +ATOM 303 HB3 SER A 20 0.448 10.165 2.214 1.00 0.00 H +ATOM 304 HG SER A 20 0.692 10.559 4.282 1.00 0.00 H +TER 305 SER A 20 +ENDMDL +MODEL 7 +ATOM 1 N ASN A 1 -8.903 5.528 -0.196 1.00 0.00 N +ATOM 2 CA ASN A 1 -7.549 5.998 -0.581 1.00 0.00 C +ATOM 3 C ASN A 1 -6.760 4.831 -1.189 1.00 0.00 C +ATOM 4 O ASN A 1 -7.247 3.705 -1.144 1.00 0.00 O +ATOM 5 CB ASN A 1 -6.831 6.647 0.620 1.00 0.00 C +ATOM 6 CG ASN A 1 -5.684 7.538 0.154 1.00 0.00 C +ATOM 7 OD1 ASN A 1 -4.583 7.063 -0.078 1.00 0.00 O +ATOM 8 ND2 ASN A 1 -5.924 8.815 -0.078 1.00 0.00 N +ATOM 9 H1 ASN A 1 -9.364 5.129 -1.005 1.00 0.00 H +ATOM 10 H2 ASN A 1 -8.821 4.800 0.502 1.00 0.00 H +ATOM 11 H3 ASN A 1 -9.457 6.290 0.168 1.00 0.00 H +ATOM 12 HA ASN A 1 -7.661 6.757 -1.358 1.00 0.00 H +ATOM 13 HB2 ASN A 1 -7.535 7.240 1.171 1.00 0.00 H +ATOM 14 HB3 ASN A 1 -6.437 5.876 1.282 1.00 0.00 H +ATOM 15 HD21 ASN A 1 -6.803 9.269 0.111 1.00 0.00 H +ATOM 16 HD22 ASN A 1 -5.123 9.345 -0.388 1.00 0.00 H +ATOM 17 N LEU A 2 -5.566 5.065 -1.745 1.00 0.00 N +ATOM 18 CA LEU A 2 -4.705 4.017 -2.308 1.00 0.00 C +ATOM 19 C LEU A 2 -4.063 3.108 -1.244 1.00 0.00 C +ATOM 20 O LEU A 2 -3.570 2.036 -1.587 1.00 0.00 O +ATOM 21 CB LEU A 2 -3.636 4.665 -3.218 1.00 0.00 C +ATOM 22 CG LEU A 2 -3.984 4.537 -4.715 1.00 0.00 C +ATOM 23 CD1 LEU A 2 -3.137 5.490 -5.557 1.00 0.00 C +ATOM 24 CD2 LEU A 2 -3.737 3.110 -5.216 1.00 0.00 C +ATOM 25 H LEU A 2 -5.153 5.991 -1.653 1.00 0.00 H +ATOM 26 HA LEU A 2 -5.332 3.363 -2.913 1.00 0.00 H +ATOM 27 HB2 LEU A 2 -3.557 5.706 -2.970 1.00 0.00 H +ATOM 28 HB3 LEU A 2 -2.666 4.195 -3.051 1.00 0.00 H +ATOM 29 HG LEU A 2 -5.035 4.787 -4.864 1.00 0.00 H +ATOM 30 HD11 LEU A 2 -3.377 6.522 -5.297 1.00 0.00 H +ATOM 31 HD12 LEU A 2 -2.077 5.308 -5.382 1.00 0.00 H +ATOM 32 HD13 LEU A 2 -3.356 5.339 -6.615 1.00 0.00 H +ATOM 33 HD21 LEU A 2 -2.687 2.842 -5.096 1.00 0.00 H +ATOM 34 HD22 LEU A 2 -4.350 2.412 -4.658 1.00 0.00 H +ATOM 35 HD23 LEU A 2 -4.007 3.032 -6.270 1.00 0.00 H +ATOM 36 N TYR A 3 -4.102 3.487 0.042 1.00 0.00 N +ATOM 37 CA TYR A 3 -3.503 2.730 1.149 1.00 0.00 C +ATOM 38 C TYR A 3 -3.977 1.265 1.216 1.00 0.00 C +ATOM 39 O TYR A 3 -3.168 0.369 1.448 1.00 0.00 O +ATOM 40 CB TYR A 3 -3.768 3.466 2.474 1.00 0.00 C +ATOM 41 CG TYR A 3 -2.672 3.279 3.509 1.00 0.00 C +ATOM 42 CD1 TYR A 3 -2.536 2.057 4.196 1.00 0.00 C +ATOM 43 CD2 TYR A 3 -1.783 4.339 3.784 1.00 0.00 C +ATOM 44 CE1 TYR A 3 -1.523 1.895 5.162 1.00 0.00 C +ATOM 45 CE2 TYR A 3 -0.765 4.177 4.741 1.00 0.00 C +ATOM 46 CZ TYR A 3 -0.640 2.961 5.441 1.00 0.00 C +ATOM 47 OH TYR A 3 0.309 2.837 6.407 1.00 0.00 O +ATOM 48 H TYR A 3 -4.453 4.414 0.232 1.00 0.00 H +ATOM 49 HA TYR A 3 -2.424 2.713 0.990 1.00 0.00 H +ATOM 50 HB2 TYR A 3 -3.861 4.514 2.266 1.00 0.00 H +ATOM 51 HB3 TYR A 3 -4.720 3.136 2.894 1.00 0.00 H +ATOM 52 HD1 TYR A 3 -3.211 1.241 3.988 1.00 0.00 H +ATOM 53 HD2 TYR A 3 -1.890 5.287 3.275 1.00 0.00 H +ATOM 54 HE1 TYR A 3 -1.418 0.959 5.689 1.00 0.00 H +ATOM 55 HE2 TYR A 3 -0.083 4.982 4.975 1.00 0.00 H +ATOM 56 HH TYR A 3 0.037 2.243 7.107 1.00 0.00 H +ATOM 57 N ILE A 4 -5.269 1.004 0.959 1.00 0.00 N +ATOM 58 CA ILE A 4 -5.833 -0.356 0.888 1.00 0.00 C +ATOM 59 C ILE A 4 -5.161 -1.164 -0.238 1.00 0.00 C +ATOM 60 O ILE A 4 -4.772 -2.318 -0.049 1.00 0.00 O +ATOM 61 CB ILE A 4 -7.371 -0.313 0.696 1.00 0.00 C +ATOM 62 CG1 ILE A 4 -8.110 0.552 1.752 1.00 0.00 C +ATOM 63 CG2 ILE A 4 -7.954 -1.737 0.753 1.00 0.00 C +ATOM 64 CD1 ILE A 4 -8.509 1.938 1.232 1.00 0.00 C +ATOM 65 H ILE A 4 -5.872 1.790 0.762 1.00 0.00 H +ATOM 66 HA ILE A 4 -5.619 -0.864 1.831 1.00 0.00 H +ATOM 67 HB ILE A 4 -7.587 0.085 -0.297 1.00 0.00 H +ATOM 68 HG12 ILE A 4 -8.999 0.033 2.055 1.00 0.00 H +ATOM 69 HG13 ILE A 4 -7.496 0.664 2.647 1.00 0.00 H +ATOM 70 HG21 ILE A 4 -7.517 -2.368 -0.021 1.00 0.00 H +ATOM 71 HG22 ILE A 4 -7.761 -2.183 1.729 1.00 0.00 H +ATOM 72 HG23 ILE A 4 -9.031 -1.704 0.581 1.00 0.00 H +ATOM 73 HD11 ILE A 4 -7.626 2.563 1.121 1.00 0.00 H +ATOM 74 HD12 ILE A 4 -9.024 1.846 0.274 1.00 0.00 H +ATOM 75 HD13 ILE A 4 -9.188 2.410 1.945 1.00 0.00 H +ATOM 76 N GLN A 5 -5.003 -0.544 -1.411 1.00 0.00 N +ATOM 77 CA GLN A 5 -4.375 -1.125 -2.597 1.00 0.00 C +ATOM 78 C GLN A 5 -2.869 -1.353 -2.405 1.00 0.00 C +ATOM 79 O GLN A 5 -2.354 -2.357 -2.886 1.00 0.00 O +ATOM 80 CB GLN A 5 -4.661 -0.216 -3.809 1.00 0.00 C +ATOM 81 CG GLN A 5 -5.379 -0.927 -4.966 1.00 0.00 C +ATOM 82 CD GLN A 5 -4.417 -1.485 -6.011 1.00 0.00 C +ATOM 83 OE1 GLN A 5 -4.226 -0.906 -7.068 1.00 0.00 O +ATOM 84 NE2 GLN A 5 -3.781 -2.614 -5.772 1.00 0.00 N +ATOM 85 H GLN A 5 -5.256 0.433 -1.455 1.00 0.00 H +ATOM 86 HA GLN A 5 -4.826 -2.102 -2.768 1.00 0.00 H +ATOM 87 HB2 GLN A 5 -5.275 0.600 -3.481 1.00 0.00 H +ATOM 88 HB3 GLN A 5 -3.731 0.222 -4.174 1.00 0.00 H +ATOM 89 HG2 GLN A 5 -5.955 -1.738 -4.564 1.00 0.00 H +ATOM 90 HG3 GLN A 5 -6.017 -0.197 -5.466 1.00 0.00 H +ATOM 91 HE21 GLN A 5 -3.799 -3.091 -4.886 1.00 0.00 H +ATOM 92 HE22 GLN A 5 -3.166 -2.885 -6.520 1.00 0.00 H +ATOM 93 N TRP A 6 -2.181 -0.471 -1.666 1.00 0.00 N +ATOM 94 CA TRP A 6 -0.803 -0.688 -1.216 1.00 0.00 C +ATOM 95 C TRP A 6 -0.702 -1.871 -0.236 1.00 0.00 C +ATOM 96 O TRP A 6 0.137 -2.753 -0.420 1.00 0.00 O +ATOM 97 CB TRP A 6 -0.253 0.612 -0.609 1.00 0.00 C +ATOM 98 CG TRP A 6 1.148 0.524 -0.079 1.00 0.00 C +ATOM 99 CD1 TRP A 6 2.275 0.502 -0.828 1.00 0.00 C +ATOM 100 CD2 TRP A 6 1.590 0.428 1.311 1.00 0.00 C +ATOM 101 NE1 TRP A 6 3.377 0.391 0.000 1.00 0.00 N +ATOM 102 CE2 TRP A 6 3.013 0.346 1.324 1.00 0.00 C +ATOM 103 CE3 TRP A 6 0.937 0.410 2.563 1.00 0.00 C +ATOM 104 CZ2 TRP A 6 3.756 0.265 2.509 1.00 0.00 C +ATOM 105 CZ3 TRP A 6 1.672 0.321 3.762 1.00 0.00 C +ATOM 106 CH2 TRP A 6 3.077 0.254 3.738 1.00 0.00 C +ATOM 107 H TRP A 6 -2.666 0.378 -1.389 1.00 0.00 H +ATOM 108 HA TRP A 6 -0.189 -0.942 -2.080 1.00 0.00 H +ATOM 109 HB2 TRP A 6 -0.274 1.369 -1.369 1.00 0.00 H +ATOM 110 HB3 TRP A 6 -0.902 0.932 0.205 1.00 0.00 H +ATOM 111 HD1 TRP A 6 2.303 0.552 -1.909 1.00 0.00 H +ATOM 112 HE1 TRP A 6 4.354 0.366 -0.301 1.00 0.00 H +ATOM 113 HE3 TRP A 6 -0.141 0.482 2.594 1.00 0.00 H +ATOM 114 HZ2 TRP A 6 4.833 0.212 2.461 1.00 0.00 H +ATOM 115 HZ3 TRP A 6 1.154 0.320 4.711 1.00 0.00 H +ATOM 116 HH2 TRP A 6 3.633 0.202 4.663 1.00 0.00 H +ATOM 117 N LEU A 7 -1.584 -1.939 0.773 1.00 0.00 N +ATOM 118 CA LEU A 7 -1.618 -3.061 1.719 1.00 0.00 C +ATOM 119 C LEU A 7 -1.896 -4.418 1.055 1.00 0.00 C +ATOM 120 O LEU A 7 -1.383 -5.420 1.551 1.00 0.00 O +ATOM 121 CB LEU A 7 -2.638 -2.803 2.843 1.00 0.00 C +ATOM 122 CG LEU A 7 -2.158 -1.828 3.935 1.00 0.00 C +ATOM 123 CD1 LEU A 7 -3.332 -1.509 4.865 1.00 0.00 C +ATOM 124 CD2 LEU A 7 -1.029 -2.411 4.793 1.00 0.00 C +ATOM 125 H LEU A 7 -2.238 -1.169 0.902 1.00 0.00 H +ATOM 126 HA LEU A 7 -0.625 -3.152 2.159 1.00 0.00 H +ATOM 127 HB2 LEU A 7 -3.528 -2.398 2.401 1.00 0.00 H +ATOM 128 HB3 LEU A 7 -2.875 -3.753 3.326 1.00 0.00 H +ATOM 129 HG LEU A 7 -1.813 -0.903 3.475 1.00 0.00 H +ATOM 130 HD11 LEU A 7 -4.138 -1.046 4.295 1.00 0.00 H +ATOM 131 HD12 LEU A 7 -3.701 -2.424 5.328 1.00 0.00 H +ATOM 132 HD13 LEU A 7 -3.014 -0.822 5.647 1.00 0.00 H +ATOM 133 HD21 LEU A 7 -1.366 -3.322 5.290 1.00 0.00 H +ATOM 134 HD22 LEU A 7 -0.162 -2.644 4.181 1.00 0.00 H +ATOM 135 HD23 LEU A 7 -0.726 -1.685 5.547 1.00 0.00 H +ATOM 136 N LYS A 8 -2.649 -4.469 -0.060 1.00 0.00 N +ATOM 137 CA LYS A 8 -2.926 -5.712 -0.805 1.00 0.00 C +ATOM 138 C LYS A 8 -1.673 -6.493 -1.213 1.00 0.00 C +ATOM 139 O LYS A 8 -1.747 -7.718 -1.261 1.00 0.00 O +ATOM 140 CB LYS A 8 -3.745 -5.435 -2.077 1.00 0.00 C +ATOM 141 CG LYS A 8 -5.245 -5.187 -1.834 1.00 0.00 C +ATOM 142 CD LYS A 8 -6.112 -6.160 -2.652 1.00 0.00 C +ATOM 143 CE LYS A 8 -6.013 -7.607 -2.144 1.00 0.00 C +ATOM 144 NZ LYS A 8 -6.775 -7.803 -0.889 1.00 0.00 N +ATOM 145 H LYS A 8 -3.091 -3.603 -0.351 1.00 0.00 H +ATOM 146 HA LYS A 8 -3.486 -6.385 -0.157 1.00 0.00 H +ATOM 147 HB2 LYS A 8 -3.336 -4.566 -2.556 1.00 0.00 H +ATOM 148 HB3 LYS A 8 -3.629 -6.287 -2.748 1.00 0.00 H +ATOM 149 HG2 LYS A 8 -5.457 -5.322 -0.791 1.00 0.00 H +ATOM 150 HG3 LYS A 8 -5.483 -4.171 -2.145 1.00 0.00 H +ATOM 151 HD2 LYS A 8 -7.135 -5.843 -2.591 1.00 0.00 H +ATOM 152 HD3 LYS A 8 -5.787 -6.129 -3.694 1.00 0.00 H +ATOM 153 HE2 LYS A 8 -6.405 -8.266 -2.895 1.00 0.00 H +ATOM 154 HE3 LYS A 8 -4.957 -7.857 -1.989 1.00 0.00 H +ATOM 155 HZ1 LYS A 8 -6.431 -7.175 -0.174 1.00 0.00 H +ATOM 156 HZ2 LYS A 8 -7.755 -7.610 -1.046 1.00 0.00 H +ATOM 157 HZ3 LYS A 8 -6.676 -8.755 -0.564 1.00 0.00 H +ATOM 158 N ASP A 9 -0.575 -5.806 -1.542 1.00 0.00 N +ATOM 159 CA ASP A 9 0.679 -6.439 -1.960 1.00 0.00 C +ATOM 160 C ASP A 9 1.407 -7.073 -0.759 1.00 0.00 C +ATOM 161 O ASP A 9 1.771 -8.246 -0.798 1.00 0.00 O +ATOM 162 CB ASP A 9 1.529 -5.384 -2.684 1.00 0.00 C +ATOM 163 CG ASP A 9 2.629 -6.016 -3.539 1.00 0.00 C +ATOM 164 OD1 ASP A 9 3.661 -6.415 -2.960 1.00 0.00 O +ATOM 165 OD2 ASP A 9 2.415 -6.083 -4.770 1.00 0.00 O +ATOM 166 H ASP A 9 -0.608 -4.796 -1.483 1.00 0.00 H +ATOM 167 HA ASP A 9 0.451 -7.236 -2.670 1.00 0.00 H +ATOM 168 HB2 ASP A 9 0.890 -4.801 -3.319 1.00 0.00 H +ATOM 169 HB3 ASP A 9 1.960 -4.694 -1.962 1.00 0.00 H +ATOM 170 N GLY A 10 1.538 -6.316 0.338 1.00 0.00 N +ATOM 171 CA GLY A 10 2.154 -6.771 1.590 1.00 0.00 C +ATOM 172 C GLY A 10 2.656 -5.655 2.516 1.00 0.00 C +ATOM 173 O GLY A 10 3.600 -5.875 3.278 1.00 0.00 O +ATOM 174 H GLY A 10 1.219 -5.364 0.236 1.00 0.00 H +ATOM 175 HA2 GLY A 10 1.421 -7.360 2.140 1.00 0.00 H +ATOM 176 HA3 GLY A 10 2.998 -7.420 1.354 1.00 0.00 H +ATOM 177 N GLY A 11 2.069 -4.451 2.456 1.00 0.00 N +ATOM 178 CA GLY A 11 2.511 -3.295 3.240 1.00 0.00 C +ATOM 179 C GLY A 11 4.009 -2.997 3.049 1.00 0.00 C +ATOM 180 O GLY A 11 4.473 -2.994 1.904 1.00 0.00 O +ATOM 181 H GLY A 11 1.299 -4.330 1.814 1.00 0.00 H +ATOM 182 HA2 GLY A 11 1.950 -2.415 2.922 1.00 0.00 H +ATOM 183 HA3 GLY A 11 2.285 -3.490 4.287 1.00 0.00 H +ATOM 184 N PRO A 12 4.798 -2.757 4.119 1.00 0.00 N +ATOM 185 CA PRO A 12 6.237 -2.490 4.008 1.00 0.00 C +ATOM 186 C PRO A 12 7.033 -3.579 3.271 1.00 0.00 C +ATOM 187 O PRO A 12 8.035 -3.275 2.626 1.00 0.00 O +ATOM 188 CB PRO A 12 6.745 -2.333 5.447 1.00 0.00 C +ATOM 189 CG PRO A 12 5.496 -1.973 6.248 1.00 0.00 C +ATOM 190 CD PRO A 12 4.382 -2.715 5.512 1.00 0.00 C +ATOM 191 HA PRO A 12 6.371 -1.546 3.479 1.00 0.00 H +ATOM 192 HB2 PRO A 12 7.173 -3.251 5.802 1.00 0.00 H +ATOM 193 HB3 PRO A 12 7.505 -1.553 5.517 1.00 0.00 H +ATOM 194 HG2 PRO A 12 5.579 -2.312 7.263 1.00 0.00 H +ATOM 195 HG3 PRO A 12 5.320 -0.898 6.189 1.00 0.00 H +ATOM 196 HD2 PRO A 12 4.273 -3.709 5.901 1.00 0.00 H +ATOM 197 HD3 PRO A 12 3.437 -2.188 5.641 1.00 0.00 H +ATOM 198 N SER A 13 6.580 -4.841 3.318 1.00 0.00 N +ATOM 199 CA SER A 13 7.226 -5.980 2.655 1.00 0.00 C +ATOM 200 C SER A 13 6.995 -6.022 1.132 1.00 0.00 C +ATOM 201 O SER A 13 7.473 -6.945 0.480 1.00 0.00 O +ATOM 202 CB SER A 13 6.775 -7.286 3.323 1.00 0.00 C +ATOM 203 OG SER A 13 7.214 -7.315 4.671 1.00 0.00 O +ATOM 204 H SER A 13 5.719 -5.035 3.818 1.00 0.00 H +ATOM 205 HA SER A 13 8.303 -5.894 2.797 1.00 0.00 H +ATOM 206 HB2 SER A 13 5.704 -7.348 3.296 1.00 0.00 H +ATOM 207 HB3 SER A 13 7.200 -8.143 2.797 1.00 0.00 H +ATOM 208 HG SER A 13 8.172 -7.390 4.683 1.00 0.00 H +ATOM 209 N SER A 14 6.312 -5.020 0.559 1.00 0.00 N +ATOM 210 CA SER A 14 6.003 -4.909 -0.880 1.00 0.00 C +ATOM 211 C SER A 14 7.153 -4.342 -1.729 1.00 0.00 C +ATOM 212 O SER A 14 7.036 -4.271 -2.950 1.00 0.00 O +ATOM 213 CB SER A 14 4.797 -3.981 -1.103 1.00 0.00 C +ATOM 214 OG SER A 14 3.761 -4.194 -0.169 1.00 0.00 O +ATOM 215 H SER A 14 5.943 -4.308 1.175 1.00 0.00 H +ATOM 216 HA SER A 14 5.743 -5.896 -1.266 1.00 0.00 H +ATOM 217 HB2 SER A 14 5.128 -2.964 -1.021 1.00 0.00 H +ATOM 218 HB3 SER A 14 4.414 -4.137 -2.112 1.00 0.00 H +ATOM 219 HG SER A 14 4.006 -3.709 0.659 1.00 0.00 H +ATOM 220 N GLY A 15 8.240 -3.857 -1.110 1.00 0.00 N +ATOM 221 CA GLY A 15 9.347 -3.207 -1.825 1.00 0.00 C +ATOM 222 C GLY A 15 9.072 -1.761 -2.273 1.00 0.00 C +ATOM 223 O GLY A 15 9.838 -1.222 -3.067 1.00 0.00 O +ATOM 224 H GLY A 15 8.290 -3.959 -0.106 1.00 0.00 H +ATOM 225 HA2 GLY A 15 10.231 -3.198 -1.187 1.00 0.00 H +ATOM 226 HA3 GLY A 15 9.588 -3.789 -2.715 1.00 0.00 H +ATOM 227 N ARG A 16 7.994 -1.127 -1.781 1.00 0.00 N +ATOM 228 CA ARG A 16 7.572 0.231 -2.153 1.00 0.00 C +ATOM 229 C ARG A 16 6.983 0.981 -0.944 1.00 0.00 C +ATOM 230 O ARG A 16 6.181 0.382 -0.224 1.00 0.00 O +ATOM 231 CB ARG A 16 6.533 0.117 -3.285 1.00 0.00 C +ATOM 232 CG ARG A 16 6.200 1.481 -3.901 1.00 0.00 C +ATOM 233 CD ARG A 16 5.147 1.363 -5.008 1.00 0.00 C +ATOM 234 NE ARG A 16 5.045 2.615 -5.780 1.00 0.00 N +ATOM 235 CZ ARG A 16 4.495 3.765 -5.404 1.00 0.00 C +ATOM 236 NH1 ARG A 16 3.939 3.937 -4.225 1.00 0.00 N +ATOM 237 NH2 ARG A 16 4.510 4.784 -6.232 1.00 0.00 N +ATOM 238 H ARG A 16 7.425 -1.634 -1.117 1.00 0.00 H +ATOM 239 HA ARG A 16 8.445 0.765 -2.527 1.00 0.00 H +ATOM 240 HB2 ARG A 16 6.925 -0.523 -4.052 1.00 0.00 H +ATOM 241 HB3 ARG A 16 5.621 -0.343 -2.899 1.00 0.00 H +ATOM 242 HG2 ARG A 16 5.824 2.127 -3.131 1.00 0.00 H +ATOM 243 HG3 ARG A 16 7.111 1.904 -4.324 1.00 0.00 H +ATOM 244 HD2 ARG A 16 5.422 0.565 -5.670 1.00 0.00 H +ATOM 245 HD3 ARG A 16 4.180 1.105 -4.573 1.00 0.00 H +ATOM 246 HE ARG A 16 5.452 2.594 -6.699 1.00 0.00 H +ATOM 247 HH11 ARG A 16 3.987 3.199 -3.541 1.00 0.00 H +ATOM 248 HH12 ARG A 16 3.537 4.819 -3.965 1.00 0.00 H +ATOM 249 HH21 ARG A 16 4.943 4.701 -7.136 1.00 0.00 H +ATOM 250 HH22 ARG A 16 4.103 5.659 -5.956 1.00 0.00 H +ATOM 251 N PRO A 17 7.298 2.279 -0.734 1.00 0.00 N +ATOM 252 CA PRO A 17 6.723 3.073 0.357 1.00 0.00 C +ATOM 253 C PRO A 17 5.203 3.301 0.202 1.00 0.00 C +ATOM 254 O PRO A 17 4.670 3.166 -0.908 1.00 0.00 O +ATOM 255 CB PRO A 17 7.497 4.399 0.343 1.00 0.00 C +ATOM 256 CG PRO A 17 7.943 4.539 -1.109 1.00 0.00 C +ATOM 257 CD PRO A 17 8.231 3.093 -1.505 1.00 0.00 C +ATOM 258 HA PRO A 17 6.912 2.560 1.300 1.00 0.00 H +ATOM 259 HB2 PRO A 17 6.863 5.216 0.629 1.00 0.00 H +ATOM 260 HB3 PRO A 17 8.374 4.317 0.985 1.00 0.00 H +ATOM 261 HG2 PRO A 17 7.164 4.960 -1.715 1.00 0.00 H +ATOM 262 HG3 PRO A 17 8.827 5.172 -1.206 1.00 0.00 H +ATOM 263 HD2 PRO A 17 8.069 2.954 -2.556 1.00 0.00 H +ATOM 264 HD3 PRO A 17 9.253 2.834 -1.225 1.00 0.00 H +ATOM 265 N PRO A 18 4.505 3.662 1.301 1.00 0.00 N +ATOM 266 CA PRO A 18 3.065 3.925 1.293 1.00 0.00 C +ATOM 267 C PRO A 18 2.700 5.218 0.535 1.00 0.00 C +ATOM 268 O PRO A 18 3.563 6.066 0.303 1.00 0.00 O +ATOM 269 CB PRO A 18 2.661 4.003 2.774 1.00 0.00 C +ATOM 270 CG PRO A 18 3.933 4.476 3.472 1.00 0.00 C +ATOM 271 CD PRO A 18 5.039 3.819 2.649 1.00 0.00 C +ATOM 272 HA PRO A 18 2.557 3.083 0.827 1.00 0.00 H +ATOM 273 HB2 PRO A 18 1.863 4.706 2.916 1.00 0.00 H +ATOM 274 HB3 PRO A 18 2.402 3.008 3.132 1.00 0.00 H +ATOM 275 HG2 PRO A 18 4.014 5.546 3.443 1.00 0.00 H +ATOM 276 HG3 PRO A 18 3.962 4.161 4.516 1.00 0.00 H +ATOM 277 HD2 PRO A 18 5.912 4.443 2.633 1.00 0.00 H +ATOM 278 HD3 PRO A 18 5.271 2.838 3.065 1.00 0.00 H +ATOM 279 N PRO A 19 1.420 5.389 0.147 1.00 0.00 N +ATOM 280 CA PRO A 19 0.934 6.590 -0.541 1.00 0.00 C +ATOM 281 C PRO A 19 0.630 7.773 0.396 1.00 0.00 C +ATOM 282 O PRO A 19 0.546 8.904 -0.075 1.00 0.00 O +ATOM 283 CB PRO A 19 -0.347 6.136 -1.247 1.00 0.00 C +ATOM 284 CG PRO A 19 -0.893 5.051 -0.317 1.00 0.00 C +ATOM 285 CD PRO A 19 0.371 4.378 0.209 1.00 0.00 C +ATOM 286 HA PRO A 19 1.659 6.921 -1.282 1.00 0.00 H +ATOM 287 HB2 PRO A 19 -1.043 6.948 -1.342 1.00 0.00 H +ATOM 288 HB3 PRO A 19 -0.093 5.696 -2.212 1.00 0.00 H +ATOM 289 HG2 PRO A 19 -1.462 5.481 0.484 1.00 0.00 H +ATOM 290 HG3 PRO A 19 -1.521 4.344 -0.854 1.00 0.00 H +ATOM 291 HD2 PRO A 19 0.226 4.052 1.221 1.00 0.00 H +ATOM 292 HD3 PRO A 19 0.641 3.547 -0.443 1.00 0.00 H +ATOM 293 N SER A 20 0.436 7.512 1.697 1.00 0.00 N +ATOM 294 CA SER A 20 0.332 8.504 2.776 1.00 0.00 C +ATOM 295 C SER A 20 1.687 8.700 3.451 1.00 0.00 C +ATOM 296 O SER A 20 2.070 9.878 3.606 1.00 0.00 O +ATOM 297 CB SER A 20 -0.673 8.043 3.830 1.00 0.00 C +ATOM 298 OG SER A 20 -1.935 7.948 3.212 1.00 0.00 O +ATOM 299 OXT SER A 20 2.277 7.664 3.828 1.00 0.00 O +ATOM 300 H SER A 20 0.578 6.559 1.993 1.00 0.00 H +ATOM 301 HA SER A 20 0.032 9.475 2.381 1.00 0.00 H +ATOM 302 HB2 SER A 20 -0.383 7.085 4.216 1.00 0.00 H +ATOM 303 HB3 SER A 20 -0.705 8.762 4.652 1.00 0.00 H +ATOM 304 HG SER A 20 -1.800 8.230 2.302 1.00 0.00 H +TER 305 SER A 20 +ENDMDL +MODEL 8 +ATOM 1 N ASN A 1 -8.769 4.941 0.058 1.00 0.00 N +ATOM 2 CA ASN A 1 -8.628 3.743 -0.810 1.00 0.00 C +ATOM 3 C ASN A 1 -7.194 3.417 -1.223 1.00 0.00 C +ATOM 4 O ASN A 1 -6.825 2.255 -1.104 1.00 0.00 O +ATOM 5 CB ASN A 1 -9.576 3.798 -2.012 1.00 0.00 C +ATOM 6 CG ASN A 1 -10.980 3.563 -1.485 1.00 0.00 C +ATOM 7 OD1 ASN A 1 -11.581 4.475 -0.943 1.00 0.00 O +ATOM 8 ND2 ASN A 1 -11.465 2.335 -1.495 1.00 0.00 N +ATOM 9 H1 ASN A 1 -8.177 4.864 0.873 1.00 0.00 H +ATOM 10 H2 ASN A 1 -8.539 5.782 -0.450 1.00 0.00 H +ATOM 11 H3 ASN A 1 -9.736 5.016 0.359 1.00 0.00 H +ATOM 12 HA ASN A 1 -8.940 2.881 -0.218 1.00 0.00 H +ATOM 13 HB2 ASN A 1 -9.516 4.760 -2.484 1.00 0.00 H +ATOM 14 HB3 ASN A 1 -9.322 3.021 -2.735 1.00 0.00 H +ATOM 15 HD21 ASN A 1 -10.980 1.548 -1.895 1.00 0.00 H +ATOM 16 HD22 ASN A 1 -12.387 2.236 -1.101 1.00 0.00 H +ATOM 17 N LEU A 2 -6.386 4.385 -1.677 1.00 0.00 N +ATOM 18 CA LEU A 2 -4.979 4.182 -2.071 1.00 0.00 C +ATOM 19 C LEU A 2 -4.170 3.301 -1.091 1.00 0.00 C +ATOM 20 O LEU A 2 -3.510 2.351 -1.513 1.00 0.00 O +ATOM 21 CB LEU A 2 -4.298 5.547 -2.330 1.00 0.00 C +ATOM 22 CG LEU A 2 -4.562 6.652 -1.277 1.00 0.00 C +ATOM 23 CD1 LEU A 2 -3.311 7.480 -1.001 1.00 0.00 C +ATOM 24 CD2 LEU A 2 -5.661 7.624 -1.728 1.00 0.00 C +ATOM 25 H LEU A 2 -6.742 5.314 -1.830 1.00 0.00 H +ATOM 26 HA LEU A 2 -4.973 3.640 -3.018 1.00 0.00 H +ATOM 27 HB2 LEU A 2 -3.239 5.382 -2.373 1.00 0.00 H +ATOM 28 HB3 LEU A 2 -4.613 5.914 -3.308 1.00 0.00 H +ATOM 29 HG LEU A 2 -4.870 6.194 -0.336 1.00 0.00 H +ATOM 30 HD11 LEU A 2 -2.556 6.855 -0.534 1.00 0.00 H +ATOM 31 HD12 LEU A 2 -2.907 7.891 -1.928 1.00 0.00 H +ATOM 32 HD13 LEU A 2 -3.544 8.302 -0.323 1.00 0.00 H +ATOM 33 HD21 LEU A 2 -5.277 8.270 -2.519 1.00 0.00 H +ATOM 34 HD22 LEU A 2 -6.532 7.099 -2.108 1.00 0.00 H +ATOM 35 HD23 LEU A 2 -5.957 8.251 -0.887 1.00 0.00 H +ATOM 36 N TYR A 3 -4.272 3.566 0.214 1.00 0.00 N +ATOM 37 CA TYR A 3 -3.591 2.791 1.257 1.00 0.00 C +ATOM 38 C TYR A 3 -4.035 1.316 1.320 1.00 0.00 C +ATOM 39 O TYR A 3 -3.216 0.439 1.587 1.00 0.00 O +ATOM 40 CB TYR A 3 -3.809 3.489 2.607 1.00 0.00 C +ATOM 41 CG TYR A 3 -2.680 3.265 3.592 1.00 0.00 C +ATOM 42 CD1 TYR A 3 -2.635 2.094 4.373 1.00 0.00 C +ATOM 43 CD2 TYR A 3 -1.676 4.243 3.732 1.00 0.00 C +ATOM 44 CE1 TYR A 3 -1.601 1.916 5.312 1.00 0.00 C +ATOM 45 CE2 TYR A 3 -0.650 4.078 4.679 1.00 0.00 C +ATOM 46 CZ TYR A 3 -0.618 2.916 5.478 1.00 0.00 C +ATOM 47 OH TYR A 3 0.344 2.765 6.428 1.00 0.00 O +ATOM 48 H TYR A 3 -4.793 4.381 0.493 1.00 0.00 H +ATOM 49 HA TYR A 3 -2.522 2.805 1.039 1.00 0.00 H +ATOM 50 HB2 TYR A 3 -3.904 4.544 2.433 1.00 0.00 H +ATOM 51 HB3 TYR A 3 -4.748 3.153 3.047 1.00 0.00 H +ATOM 52 HD1 TYR A 3 -3.397 1.337 4.260 1.00 0.00 H +ATOM 53 HD2 TYR A 3 -1.691 5.139 3.130 1.00 0.00 H +ATOM 54 HE1 TYR A 3 -1.558 1.031 5.929 1.00 0.00 H +ATOM 55 HE2 TYR A 3 0.099 4.851 4.791 1.00 0.00 H +ATOM 56 HH TYR A 3 0.794 3.595 6.593 1.00 0.00 H +ATOM 57 N ILE A 4 -5.312 1.025 1.029 1.00 0.00 N +ATOM 58 CA ILE A 4 -5.855 -0.341 0.979 1.00 0.00 C +ATOM 59 C ILE A 4 -5.188 -1.123 -0.163 1.00 0.00 C +ATOM 60 O ILE A 4 -4.740 -2.254 0.031 1.00 0.00 O +ATOM 61 CB ILE A 4 -7.398 -0.328 0.820 1.00 0.00 C +ATOM 62 CG1 ILE A 4 -8.143 0.621 1.794 1.00 0.00 C +ATOM 63 CG2 ILE A 4 -7.976 -1.749 0.938 1.00 0.00 C +ATOM 64 CD1 ILE A 4 -7.792 0.462 3.281 1.00 0.00 C +ATOM 65 H ILE A 4 -5.901 1.775 0.693 1.00 0.00 H +ATOM 66 HA ILE A 4 -5.609 -0.846 1.915 1.00 0.00 H +ATOM 67 HB ILE A 4 -7.635 0.015 -0.186 1.00 0.00 H +ATOM 68 HG12 ILE A 4 -7.917 1.630 1.508 1.00 0.00 H +ATOM 69 HG13 ILE A 4 -9.215 0.465 1.676 1.00 0.00 H +ATOM 70 HG21 ILE A 4 -7.579 -2.387 0.147 1.00 0.00 H +ATOM 71 HG22 ILE A 4 -7.724 -2.190 1.903 1.00 0.00 H +ATOM 72 HG23 ILE A 4 -9.062 -1.721 0.834 1.00 0.00 H +ATOM 73 HD11 ILE A 4 -7.711 -0.590 3.551 1.00 0.00 H +ATOM 74 HD12 ILE A 4 -6.848 0.965 3.496 1.00 0.00 H +ATOM 75 HD13 ILE A 4 -8.578 0.918 3.885 1.00 0.00 H +ATOM 76 N GLN A 5 -5.075 -0.498 -1.343 1.00 0.00 N +ATOM 77 CA GLN A 5 -4.362 -1.071 -2.489 1.00 0.00 C +ATOM 78 C GLN A 5 -2.867 -1.283 -2.198 1.00 0.00 C +ATOM 79 O GLN A 5 -2.320 -2.311 -2.590 1.00 0.00 O +ATOM 80 CB GLN A 5 -4.555 -0.198 -3.737 1.00 0.00 C +ATOM 81 CG GLN A 5 -5.995 -0.248 -4.266 1.00 0.00 C +ATOM 82 CD GLN A 5 -6.126 0.517 -5.579 1.00 0.00 C +ATOM 83 OE1 GLN A 5 -5.978 -0.031 -6.658 1.00 0.00 O +ATOM 84 NE2 GLN A 5 -6.401 1.806 -5.540 1.00 0.00 N +ATOM 85 H GLN A 5 -5.445 0.441 -1.413 1.00 0.00 H +ATOM 86 HA GLN A 5 -4.782 -2.057 -2.696 1.00 0.00 H +ATOM 87 HB2 GLN A 5 -4.314 0.818 -3.488 1.00 0.00 H +ATOM 88 HB3 GLN A 5 -3.891 -0.565 -4.522 1.00 0.00 H +ATOM 89 HG2 GLN A 5 -6.273 -1.272 -4.428 1.00 0.00 H +ATOM 90 HG3 GLN A 5 -6.680 0.175 -3.530 1.00 0.00 H +ATOM 91 HE21 GLN A 5 -6.520 2.309 -4.682 1.00 0.00 H +ATOM 92 HE22 GLN A 5 -6.457 2.229 -6.452 1.00 0.00 H +ATOM 93 N TRP A 6 -2.207 -0.362 -1.483 1.00 0.00 N +ATOM 94 CA TRP A 6 -0.824 -0.567 -1.033 1.00 0.00 C +ATOM 95 C TRP A 6 -0.685 -1.753 -0.064 1.00 0.00 C +ATOM 96 O TRP A 6 0.203 -2.588 -0.244 1.00 0.00 O +ATOM 97 CB TRP A 6 -0.276 0.722 -0.418 1.00 0.00 C +ATOM 98 CG TRP A 6 1.118 0.612 0.126 1.00 0.00 C +ATOM 99 CD1 TRP A 6 2.254 0.594 -0.609 1.00 0.00 C +ATOM 100 CD2 TRP A 6 1.544 0.501 1.519 1.00 0.00 C +ATOM 101 NE1 TRP A 6 3.347 0.461 0.227 1.00 0.00 N +ATOM 102 CE2 TRP A 6 2.967 0.413 1.548 1.00 0.00 C +ATOM 103 CE3 TRP A 6 0.878 0.488 2.764 1.00 0.00 C +ATOM 104 CZ2 TRP A 6 3.697 0.331 2.741 1.00 0.00 C +ATOM 105 CZ3 TRP A 6 1.600 0.402 3.971 1.00 0.00 C +ATOM 106 CH2 TRP A 6 3.004 0.331 3.961 1.00 0.00 C +ATOM 107 H TRP A 6 -2.689 0.503 -1.249 1.00 0.00 H +ATOM 108 HA TRP A 6 -0.214 -0.807 -1.905 1.00 0.00 H +ATOM 109 HB2 TRP A 6 -0.281 1.482 -1.175 1.00 0.00 H +ATOM 110 HB3 TRP A 6 -0.933 1.043 0.389 1.00 0.00 H +ATOM 111 HD1 TRP A 6 2.293 0.681 -1.686 1.00 0.00 H +ATOM 112 HE1 TRP A 6 4.326 0.458 -0.069 1.00 0.00 H +ATOM 113 HE3 TRP A 6 -0.200 0.564 2.787 1.00 0.00 H +ATOM 114 HZ2 TRP A 6 4.776 0.281 2.705 1.00 0.00 H +ATOM 115 HZ3 TRP A 6 1.071 0.411 4.914 1.00 0.00 H +ATOM 116 HH2 TRP A 6 3.548 0.291 4.893 1.00 0.00 H +ATOM 117 N LEU A 7 -1.580 -1.874 0.927 1.00 0.00 N +ATOM 118 CA LEU A 7 -1.599 -3.031 1.829 1.00 0.00 C +ATOM 119 C LEU A 7 -1.786 -4.356 1.073 1.00 0.00 C +ATOM 120 O LEU A 7 -1.124 -5.333 1.422 1.00 0.00 O +ATOM 121 CB LEU A 7 -2.674 -2.852 2.916 1.00 0.00 C +ATOM 122 CG LEU A 7 -2.324 -1.798 3.986 1.00 0.00 C +ATOM 123 CD1 LEU A 7 -3.552 -1.544 4.867 1.00 0.00 C +ATOM 124 CD2 LEU A 7 -1.168 -2.243 4.890 1.00 0.00 C +ATOM 125 H LEU A 7 -2.270 -1.136 1.054 1.00 0.00 H +ATOM 126 HA LEU A 7 -0.625 -3.099 2.308 1.00 0.00 H +ATOM 127 HB2 LEU A 7 -3.588 -2.556 2.439 1.00 0.00 H +ATOM 128 HB3 LEU A 7 -2.827 -3.808 3.419 1.00 0.00 H +ATOM 129 HG LEU A 7 -2.045 -0.863 3.506 1.00 0.00 H +ATOM 130 HD11 LEU A 7 -4.374 -1.176 4.252 1.00 0.00 H +ATOM 131 HD12 LEU A 7 -3.856 -2.467 5.361 1.00 0.00 H +ATOM 132 HD13 LEU A 7 -3.318 -0.796 5.624 1.00 0.00 H +ATOM 133 HD21 LEU A 7 -1.414 -3.187 5.378 1.00 0.00 H +ATOM 134 HD22 LEU A 7 -0.257 -2.363 4.309 1.00 0.00 H +ATOM 135 HD23 LEU A 7 -0.985 -1.485 5.652 1.00 0.00 H +ATOM 136 N LYS A 8 -2.609 -4.385 0.009 1.00 0.00 N +ATOM 137 CA LYS A 8 -2.835 -5.565 -0.847 1.00 0.00 C +ATOM 138 C LYS A 8 -1.558 -6.137 -1.482 1.00 0.00 C +ATOM 139 O LYS A 8 -1.510 -7.335 -1.746 1.00 0.00 O +ATOM 140 CB LYS A 8 -3.872 -5.210 -1.927 1.00 0.00 C +ATOM 141 CG LYS A 8 -4.472 -6.419 -2.672 1.00 0.00 C +ATOM 142 CD LYS A 8 -3.967 -6.562 -4.118 1.00 0.00 C +ATOM 143 CE LYS A 8 -4.912 -7.488 -4.895 1.00 0.00 C +ATOM 144 NZ LYS A 8 -4.381 -7.814 -6.240 1.00 0.00 N +ATOM 145 H LYS A 8 -3.146 -3.541 -0.174 1.00 0.00 H +ATOM 146 HA LYS A 8 -3.247 -6.357 -0.218 1.00 0.00 H +ATOM 147 HB2 LYS A 8 -4.675 -4.677 -1.456 1.00 0.00 H +ATOM 148 HB3 LYS A 8 -3.417 -4.531 -2.647 1.00 0.00 H +ATOM 149 HG2 LYS A 8 -4.216 -7.311 -2.133 1.00 0.00 H +ATOM 150 HG3 LYS A 8 -5.554 -6.284 -2.697 1.00 0.00 H +ATOM 151 HD2 LYS A 8 -3.944 -5.597 -4.587 1.00 0.00 H +ATOM 152 HD3 LYS A 8 -2.954 -6.968 -4.111 1.00 0.00 H +ATOM 153 HE2 LYS A 8 -5.039 -8.398 -4.342 1.00 0.00 H +ATOM 154 HE3 LYS A 8 -5.879 -6.986 -4.990 1.00 0.00 H +ATOM 155 HZ1 LYS A 8 -4.156 -6.967 -6.745 1.00 0.00 H +ATOM 156 HZ2 LYS A 8 -3.540 -8.372 -6.153 1.00 0.00 H +ATOM 157 HZ3 LYS A 8 -5.066 -8.339 -6.770 1.00 0.00 H +ATOM 158 N ASP A 9 -0.531 -5.310 -1.709 1.00 0.00 N +ATOM 159 CA ASP A 9 0.782 -5.753 -2.199 1.00 0.00 C +ATOM 160 C ASP A 9 1.608 -6.478 -1.111 1.00 0.00 C +ATOM 161 O ASP A 9 2.514 -7.238 -1.445 1.00 0.00 O +ATOM 162 CB ASP A 9 1.552 -4.536 -2.756 1.00 0.00 C +ATOM 163 CG ASP A 9 2.243 -4.819 -4.098 1.00 0.00 C +ATOM 164 OD1 ASP A 9 1.520 -4.894 -5.114 1.00 0.00 O +ATOM 165 OD2 ASP A 9 3.496 -4.834 -4.151 1.00 0.00 O +ATOM 166 H ASP A 9 -0.652 -4.327 -1.493 1.00 0.00 H +ATOM 167 HA ASP A 9 0.624 -6.460 -3.016 1.00 0.00 H +ATOM 168 HB2 ASP A 9 0.860 -3.728 -2.893 1.00 0.00 H +ATOM 169 HB3 ASP A 9 2.281 -4.194 -2.021 1.00 0.00 H +ATOM 170 N GLY A 10 1.277 -6.270 0.176 1.00 0.00 N +ATOM 171 CA GLY A 10 2.025 -6.755 1.345 1.00 0.00 C +ATOM 172 C GLY A 10 2.511 -5.652 2.302 1.00 0.00 C +ATOM 173 O GLY A 10 3.330 -5.927 3.184 1.00 0.00 O +ATOM 174 H GLY A 10 0.421 -5.751 0.355 1.00 0.00 H +ATOM 175 HA2 GLY A 10 1.382 -7.428 1.912 1.00 0.00 H +ATOM 176 HA3 GLY A 10 2.898 -7.318 1.016 1.00 0.00 H +ATOM 177 N GLY A 11 2.061 -4.397 2.131 1.00 0.00 N +ATOM 178 CA GLY A 11 2.503 -3.261 2.946 1.00 0.00 C +ATOM 179 C GLY A 11 4.031 -3.074 2.887 1.00 0.00 C +ATOM 180 O GLY A 11 4.595 -3.162 1.791 1.00 0.00 O +ATOM 181 H GLY A 11 1.442 -4.219 1.351 1.00 0.00 H +ATOM 182 HA2 GLY A 11 2.030 -2.351 2.579 1.00 0.00 H +ATOM 183 HA3 GLY A 11 2.173 -3.433 3.969 1.00 0.00 H +ATOM 184 N PRO A 12 4.729 -2.844 4.022 1.00 0.00 N +ATOM 185 CA PRO A 12 6.186 -2.657 4.057 1.00 0.00 C +ATOM 186 C PRO A 12 7.000 -3.804 3.440 1.00 0.00 C +ATOM 187 O PRO A 12 8.098 -3.571 2.938 1.00 0.00 O +ATOM 188 CB PRO A 12 6.560 -2.503 5.537 1.00 0.00 C +ATOM 189 CG PRO A 12 5.258 -2.091 6.219 1.00 0.00 C +ATOM 190 CD PRO A 12 4.187 -2.773 5.373 1.00 0.00 C +ATOM 191 HA PRO A 12 6.428 -1.733 3.531 1.00 0.00 H +ATOM 192 HB2 PRO A 12 6.920 -3.432 5.936 1.00 0.00 H +ATOM 193 HB3 PRO A 12 7.339 -1.752 5.678 1.00 0.00 H +ATOM 194 HG2 PRO A 12 5.228 -2.441 7.233 1.00 0.00 H +ATOM 195 HG3 PRO A 12 5.143 -1.008 6.161 1.00 0.00 H +ATOM 196 HD2 PRO A 12 3.987 -3.759 5.747 1.00 0.00 H +ATOM 197 HD3 PRO A 12 3.262 -2.198 5.412 1.00 0.00 H +ATOM 198 N SER A 13 6.470 -5.035 3.441 1.00 0.00 N +ATOM 199 CA SER A 13 7.162 -6.235 2.936 1.00 0.00 C +ATOM 200 C SER A 13 7.153 -6.352 1.402 1.00 0.00 C +ATOM 201 O SER A 13 7.495 -7.398 0.861 1.00 0.00 O +ATOM 202 CB SER A 13 6.574 -7.490 3.595 1.00 0.00 C +ATOM 203 OG SER A 13 6.813 -7.451 4.988 1.00 0.00 O +ATOM 204 H SER A 13 5.505 -5.137 3.737 1.00 0.00 H +ATOM 205 HA SER A 13 8.211 -6.179 3.232 1.00 0.00 H +ATOM 206 HB2 SER A 13 5.517 -7.526 3.415 1.00 0.00 H +ATOM 207 HB3 SER A 13 7.054 -8.380 3.187 1.00 0.00 H +ATOM 208 HG SER A 13 6.443 -6.640 5.343 1.00 0.00 H +ATOM 209 N SER A 14 6.767 -5.279 0.701 1.00 0.00 N +ATOM 210 CA SER A 14 6.504 -5.245 -0.744 1.00 0.00 C +ATOM 211 C SER A 14 7.583 -4.513 -1.556 1.00 0.00 C +ATOM 212 O SER A 14 7.477 -4.434 -2.776 1.00 0.00 O +ATOM 213 CB SER A 14 5.171 -4.534 -0.999 1.00 0.00 C +ATOM 214 OG SER A 14 4.177 -4.877 -0.070 1.00 0.00 O +ATOM 215 H SER A 14 6.484 -4.475 1.245 1.00 0.00 H +ATOM 216 HA SER A 14 6.420 -6.264 -1.123 1.00 0.00 H +ATOM 217 HB2 SER A 14 5.334 -3.475 -0.949 1.00 0.00 H +ATOM 218 HB3 SER A 14 4.831 -4.746 -2.011 1.00 0.00 H +ATOM 219 HG SER A 14 4.259 -4.235 0.675 1.00 0.00 H +ATOM 220 N GLY A 15 8.589 -3.916 -0.899 1.00 0.00 N +ATOM 221 CA GLY A 15 9.628 -3.120 -1.568 1.00 0.00 C +ATOM 222 C GLY A 15 9.147 -1.769 -2.127 1.00 0.00 C +ATOM 223 O GLY A 15 9.811 -1.210 -2.995 1.00 0.00 O +ATOM 224 H GLY A 15 8.637 -4.053 0.102 1.00 0.00 H +ATOM 225 HA2 GLY A 15 10.434 -2.923 -0.862 1.00 0.00 H +ATOM 226 HA3 GLY A 15 10.042 -3.698 -2.394 1.00 0.00 H +ATOM 227 N ARG A 16 8.006 -1.245 -1.647 1.00 0.00 N +ATOM 228 CA ARG A 16 7.372 -0.003 -2.121 1.00 0.00 C +ATOM 229 C ARG A 16 6.899 0.883 -0.950 1.00 0.00 C +ATOM 230 O ARG A 16 6.250 0.369 -0.033 1.00 0.00 O +ATOM 231 CB ARG A 16 6.209 -0.320 -3.084 1.00 0.00 C +ATOM 232 CG ARG A 16 5.215 -1.352 -2.526 1.00 0.00 C +ATOM 233 CD ARG A 16 3.904 -1.443 -3.304 1.00 0.00 C +ATOM 234 NE ARG A 16 4.061 -2.274 -4.499 1.00 0.00 N +ATOM 235 CZ ARG A 16 3.904 -1.985 -5.776 1.00 0.00 C +ATOM 236 NH1 ARG A 16 3.635 -0.767 -6.189 1.00 0.00 N +ATOM 237 NH2 ARG A 16 4.003 -2.954 -6.651 1.00 0.00 N +ATOM 238 H ARG A 16 7.548 -1.757 -0.908 1.00 0.00 H +ATOM 239 HA ARG A 16 8.120 0.548 -2.691 1.00 0.00 H +ATOM 240 HB2 ARG A 16 5.677 0.590 -3.285 1.00 0.00 H +ATOM 241 HB3 ARG A 16 6.620 -0.712 -4.017 1.00 0.00 H +ATOM 242 HG2 ARG A 16 5.685 -2.316 -2.545 1.00 0.00 H +ATOM 243 HG3 ARG A 16 4.960 -1.114 -1.497 1.00 0.00 H +ATOM 244 HD2 ARG A 16 3.151 -1.874 -2.673 1.00 0.00 H +ATOM 245 HD3 ARG A 16 3.536 -0.446 -3.542 1.00 0.00 H +ATOM 246 HE ARG A 16 4.127 -3.284 -4.320 1.00 0.00 H +ATOM 247 HH11 ARG A 16 3.507 -0.060 -5.490 1.00 0.00 H +ATOM 248 HH12 ARG A 16 3.473 -0.577 -7.160 1.00 0.00 H +ATOM 249 HH21 ARG A 16 4.040 -3.895 -6.271 1.00 0.00 H +ATOM 250 HH22 ARG A 16 3.899 -2.795 -7.633 1.00 0.00 H +ATOM 251 N PRO A 17 7.166 2.205 -0.969 1.00 0.00 N +ATOM 252 CA PRO A 17 6.727 3.117 0.088 1.00 0.00 C +ATOM 253 C PRO A 17 5.195 3.304 0.088 1.00 0.00 C +ATOM 254 O PRO A 17 4.551 3.043 -0.934 1.00 0.00 O +ATOM 255 CB PRO A 17 7.460 4.433 -0.196 1.00 0.00 C +ATOM 256 CG PRO A 17 7.647 4.418 -1.712 1.00 0.00 C +ATOM 257 CD PRO A 17 7.865 2.938 -2.017 1.00 0.00 C +ATOM 258 HA PRO A 17 7.042 2.728 1.057 1.00 0.00 H +ATOM 259 HB2 PRO A 17 6.869 5.275 0.109 1.00 0.00 H +ATOM 260 HB3 PRO A 17 8.437 4.415 0.288 1.00 0.00 H +ATOM 261 HG2 PRO A 17 6.774 4.790 -2.212 1.00 0.00 H +ATOM 262 HG3 PRO A 17 8.499 5.023 -2.023 1.00 0.00 H +ATOM 263 HD2 PRO A 17 7.459 2.692 -2.979 1.00 0.00 H +ATOM 264 HD3 PRO A 17 8.930 2.705 -1.974 1.00 0.00 H +ATOM 265 N PRO A 18 4.598 3.763 1.206 1.00 0.00 N +ATOM 266 CA PRO A 18 3.160 4.002 1.296 1.00 0.00 C +ATOM 267 C PRO A 18 2.723 5.223 0.459 1.00 0.00 C +ATOM 268 O PRO A 18 3.486 6.180 0.323 1.00 0.00 O +ATOM 269 CB PRO A 18 2.870 4.209 2.786 1.00 0.00 C +ATOM 270 CG PRO A 18 4.187 4.765 3.327 1.00 0.00 C +ATOM 271 CD PRO A 18 5.239 4.048 2.482 1.00 0.00 C +ATOM 272 HA PRO A 18 2.639 3.111 0.954 1.00 0.00 H +ATOM 273 HB2 PRO A 18 2.070 4.910 2.928 1.00 0.00 H +ATOM 274 HB3 PRO A 18 2.665 3.246 3.253 1.00 0.00 H +ATOM 275 HG2 PRO A 18 4.242 5.828 3.190 1.00 0.00 H +ATOM 276 HG3 PRO A 18 4.310 4.556 4.389 1.00 0.00 H +ATOM 277 HD2 PRO A 18 6.095 4.679 2.337 1.00 0.00 H +ATOM 278 HD3 PRO A 18 5.518 3.109 2.962 1.00 0.00 H +ATOM 279 N PRO A 19 1.487 5.223 -0.081 1.00 0.00 N +ATOM 280 CA PRO A 19 0.954 6.306 -0.911 1.00 0.00 C +ATOM 281 C PRO A 19 0.318 7.463 -0.116 1.00 0.00 C +ATOM 282 O PRO A 19 -0.042 8.473 -0.718 1.00 0.00 O +ATOM 283 CB PRO A 19 -0.097 5.617 -1.786 1.00 0.00 C +ATOM 284 CG PRO A 19 -0.667 4.552 -0.849 1.00 0.00 C +ATOM 285 CD PRO A 19 0.572 4.092 -0.088 1.00 0.00 C +ATOM 286 HA PRO A 19 1.738 6.719 -1.548 1.00 0.00 H +ATOM 287 HB2 PRO A 19 -0.857 6.308 -2.094 1.00 0.00 H +ATOM 288 HB3 PRO A 19 0.396 5.133 -2.632 1.00 0.00 H +ATOM 289 HG2 PRO A 19 -1.398 4.970 -0.184 1.00 0.00 H +ATOM 290 HG3 PRO A 19 -1.129 3.736 -1.404 1.00 0.00 H +ATOM 291 HD2 PRO A 19 0.311 3.818 0.916 1.00 0.00 H +ATOM 292 HD3 PRO A 19 1.042 3.271 -0.628 1.00 0.00 H +ATOM 293 N SER A 20 0.154 7.315 1.206 1.00 0.00 N +ATOM 294 CA SER A 20 -0.381 8.320 2.134 1.00 0.00 C +ATOM 295 C SER A 20 0.429 8.296 3.426 1.00 0.00 C +ATOM 296 O SER A 20 0.669 7.163 3.906 1.00 0.00 O +ATOM 297 CB SER A 20 -1.858 8.039 2.425 1.00 0.00 C +ATOM 298 OG SER A 20 -2.535 9.236 2.730 1.00 0.00 O +ATOM 299 OXT SER A 20 0.789 9.398 3.882 1.00 0.00 O +ATOM 300 H SER A 20 0.527 6.490 1.654 1.00 0.00 H +ATOM 301 HA SER A 20 -0.263 9.307 1.688 1.00 0.00 H +ATOM 302 HB2 SER A 20 -2.309 7.588 1.562 1.00 0.00 H +ATOM 303 HB3 SER A 20 -1.945 7.348 3.266 1.00 0.00 H +ATOM 304 HG SER A 20 -1.973 9.971 2.469 1.00 0.00 H +TER 305 SER A 20 +ENDMDL +MODEL 9 +ATOM 1 N ASN A 1 -6.355 7.914 0.576 1.00 0.00 N +ATOM 2 CA ASN A 1 -6.778 6.858 -0.378 1.00 0.00 C +ATOM 3 C ASN A 1 -5.549 6.028 -0.782 1.00 0.00 C +ATOM 4 O ASN A 1 -4.530 6.178 -0.119 1.00 0.00 O +ATOM 5 CB ASN A 1 -7.563 7.460 -1.562 1.00 0.00 C +ATOM 6 CG ASN A 1 -8.448 6.400 -2.211 1.00 0.00 C +ATOM 7 OD1 ASN A 1 -8.022 5.688 -3.104 1.00 0.00 O +ATOM 8 ND2 ASN A 1 -9.658 6.188 -1.730 1.00 0.00 N +ATOM 9 H1 ASN A 1 -5.830 7.486 1.328 1.00 0.00 H +ATOM 10 H2 ASN A 1 -5.742 8.573 0.115 1.00 0.00 H +ATOM 11 H3 ASN A 1 -7.157 8.399 0.955 1.00 0.00 H +ATOM 12 HA ASN A 1 -7.452 6.182 0.150 1.00 0.00 H +ATOM 13 HB2 ASN A 1 -8.178 8.264 -1.206 1.00 0.00 H +ATOM 14 HB3 ASN A 1 -6.872 7.865 -2.304 1.00 0.00 H +ATOM 15 HD21 ASN A 1 -10.087 6.731 -1.001 1.00 0.00 H +ATOM 16 HD22 ASN A 1 -10.166 5.465 -2.217 1.00 0.00 H +ATOM 17 N LEU A 2 -5.630 5.135 -1.783 1.00 0.00 N +ATOM 18 CA LEU A 2 -4.587 4.213 -2.289 1.00 0.00 C +ATOM 19 C LEU A 2 -3.962 3.229 -1.269 1.00 0.00 C +ATOM 20 O LEU A 2 -3.407 2.204 -1.668 1.00 0.00 O +ATOM 21 CB LEU A 2 -3.510 5.015 -3.058 1.00 0.00 C +ATOM 22 CG LEU A 2 -3.772 5.277 -4.555 1.00 0.00 C +ATOM 23 CD1 LEU A 2 -3.748 3.980 -5.372 1.00 0.00 C +ATOM 24 CD2 LEU A 2 -5.076 6.028 -4.834 1.00 0.00 C +ATOM 25 H LEU A 2 -6.497 5.119 -2.318 1.00 0.00 H +ATOM 26 HA LEU A 2 -5.078 3.561 -3.012 1.00 0.00 H +ATOM 27 HB2 LEU A 2 -3.409 5.968 -2.575 1.00 0.00 H +ATOM 28 HB3 LEU A 2 -2.567 4.475 -3.000 1.00 0.00 H +ATOM 29 HG LEU A 2 -2.952 5.903 -4.913 1.00 0.00 H +ATOM 30 HD11 LEU A 2 -2.862 3.397 -5.120 1.00 0.00 H +ATOM 31 HD12 LEU A 2 -4.638 3.385 -5.182 1.00 0.00 H +ATOM 32 HD13 LEU A 2 -3.712 4.225 -6.435 1.00 0.00 H +ATOM 33 HD21 LEU A 2 -5.932 5.392 -4.613 1.00 0.00 H +ATOM 34 HD22 LEU A 2 -5.123 6.933 -4.230 1.00 0.00 H +ATOM 35 HD23 LEU A 2 -5.117 6.307 -5.887 1.00 0.00 H +ATOM 36 N TYR A 3 -4.092 3.484 0.034 1.00 0.00 N +ATOM 37 CA TYR A 3 -3.507 2.707 1.123 1.00 0.00 C +ATOM 38 C TYR A 3 -3.985 1.247 1.144 1.00 0.00 C +ATOM 39 O TYR A 3 -3.180 0.347 1.372 1.00 0.00 O +ATOM 40 CB TYR A 3 -3.807 3.419 2.451 1.00 0.00 C +ATOM 41 CG TYR A 3 -2.696 3.269 3.468 1.00 0.00 C +ATOM 42 CD1 TYR A 3 -2.590 2.095 4.240 1.00 0.00 C +ATOM 43 CD2 TYR A 3 -1.753 4.303 3.625 1.00 0.00 C +ATOM 44 CE1 TYR A 3 -1.550 1.959 5.180 1.00 0.00 C +ATOM 45 CE2 TYR A 3 -0.711 4.172 4.561 1.00 0.00 C +ATOM 46 CZ TYR A 3 -0.611 3.005 5.344 1.00 0.00 C +ATOM 47 OH TYR A 3 0.374 2.911 6.276 1.00 0.00 O +ATOM 48 H TYR A 3 -4.425 4.414 0.259 1.00 0.00 H +ATOM 49 HA TYR A 3 -2.425 2.700 0.981 1.00 0.00 H +ATOM 50 HB2 TYR A 3 -3.951 4.464 2.254 1.00 0.00 H +ATOM 51 HB3 TYR A 3 -4.742 3.045 2.871 1.00 0.00 H +ATOM 52 HD1 TYR A 3 -3.308 1.299 4.106 1.00 0.00 H +ATOM 53 HD2 TYR A 3 -1.821 5.207 3.034 1.00 0.00 H +ATOM 54 HE1 TYR A 3 -1.462 1.059 5.769 1.00 0.00 H +ATOM 55 HE2 TYR A 3 0.006 4.966 4.698 1.00 0.00 H +ATOM 56 HH TYR A 3 0.027 2.663 7.133 1.00 0.00 H +ATOM 57 N ILE A 4 -5.271 0.998 0.853 1.00 0.00 N +ATOM 58 CA ILE A 4 -5.839 -0.354 0.750 1.00 0.00 C +ATOM 59 C ILE A 4 -5.129 -1.160 -0.354 1.00 0.00 C +ATOM 60 O ILE A 4 -4.715 -2.294 -0.121 1.00 0.00 O +ATOM 61 CB ILE A 4 -7.375 -0.317 0.526 1.00 0.00 C +ATOM 62 CG1 ILE A 4 -8.137 0.556 1.557 1.00 0.00 C +ATOM 63 CG2 ILE A 4 -7.940 -1.748 0.590 1.00 0.00 C +ATOM 64 CD1 ILE A 4 -8.425 1.981 1.063 1.00 0.00 C +ATOM 65 H ILE A 4 -5.872 1.793 0.698 1.00 0.00 H +ATOM 66 HA ILE A 4 -5.651 -0.867 1.695 1.00 0.00 H +ATOM 67 HB ILE A 4 -7.576 0.069 -0.474 1.00 0.00 H +ATOM 68 HG12 ILE A 4 -9.072 0.079 1.780 1.00 0.00 H +ATOM 69 HG13 ILE A 4 -7.585 0.601 2.497 1.00 0.00 H +ATOM 70 HG21 ILE A 4 -7.504 -2.371 -0.192 1.00 0.00 H +ATOM 71 HG22 ILE A 4 -7.727 -2.194 1.563 1.00 0.00 H +ATOM 72 HG23 ILE A 4 -9.020 -1.731 0.437 1.00 0.00 H +ATOM 73 HD11 ILE A 4 -7.512 2.575 1.038 1.00 0.00 H +ATOM 74 HD12 ILE A 4 -8.867 1.949 0.066 1.00 0.00 H +ATOM 75 HD13 ILE A 4 -9.137 2.458 1.739 1.00 0.00 H +ATOM 76 N GLN A 5 -4.949 -0.564 -1.544 1.00 0.00 N +ATOM 77 CA GLN A 5 -4.210 -1.179 -2.650 1.00 0.00 C +ATOM 78 C GLN A 5 -2.730 -1.412 -2.309 1.00 0.00 C +ATOM 79 O GLN A 5 -2.180 -2.447 -2.679 1.00 0.00 O +ATOM 80 CB GLN A 5 -4.326 -0.333 -3.929 1.00 0.00 C +ATOM 81 CG GLN A 5 -5.654 -0.555 -4.672 1.00 0.00 C +ATOM 82 CD GLN A 5 -5.597 0.001 -6.097 1.00 0.00 C +ATOM 83 OE1 GLN A 5 -4.724 -0.323 -6.881 1.00 0.00 O +ATOM 84 NE2 GLN A 5 -6.527 0.846 -6.499 1.00 0.00 N +ATOM 85 H GLN A 5 -5.256 0.391 -1.646 1.00 0.00 H +ATOM 86 HA GLN A 5 -4.639 -2.162 -2.849 1.00 0.00 H +ATOM 87 HB2 GLN A 5 -4.251 0.704 -3.662 1.00 0.00 H +ATOM 88 HB3 GLN A 5 -3.512 -0.622 -4.596 1.00 0.00 H +ATOM 89 HG2 GLN A 5 -5.858 -1.608 -4.716 1.00 0.00 H +ATOM 90 HG3 GLN A 5 -6.466 -0.086 -4.117 1.00 0.00 H +ATOM 91 HE21 GLN A 5 -7.297 1.142 -5.929 1.00 0.00 H +ATOM 92 HE22 GLN A 5 -6.409 1.126 -7.459 1.00 0.00 H +ATOM 93 N TRP A 6 -2.081 -0.492 -1.584 1.00 0.00 N +ATOM 94 CA TRP A 6 -0.717 -0.712 -1.094 1.00 0.00 C +ATOM 95 C TRP A 6 -0.634 -1.871 -0.083 1.00 0.00 C +ATOM 96 O TRP A 6 0.235 -2.738 -0.203 1.00 0.00 O +ATOM 97 CB TRP A 6 -0.168 0.595 -0.511 1.00 0.00 C +ATOM 98 CG TRP A 6 1.222 0.490 0.032 1.00 0.00 C +ATOM 99 CD1 TRP A 6 2.356 0.444 -0.705 1.00 0.00 C +ATOM 100 CD2 TRP A 6 1.648 0.375 1.425 1.00 0.00 C +ATOM 101 NE1 TRP A 6 3.446 0.307 0.129 1.00 0.00 N +ATOM 102 CE2 TRP A 6 3.068 0.266 1.450 1.00 0.00 C +ATOM 103 CE3 TRP A 6 0.980 0.360 2.668 1.00 0.00 C +ATOM 104 CZ2 TRP A 6 3.796 0.163 2.643 1.00 0.00 C +ATOM 105 CZ3 TRP A 6 1.699 0.248 3.874 1.00 0.00 C +ATOM 106 CH2 TRP A 6 3.103 0.153 3.864 1.00 0.00 C +ATOM 107 H TRP A 6 -2.567 0.373 -1.361 1.00 0.00 H +ATOM 108 HA TRP A 6 -0.089 -0.993 -1.940 1.00 0.00 H +ATOM 109 HB2 TRP A 6 -0.171 1.336 -1.287 1.00 0.00 H +ATOM 110 HB3 TRP A 6 -0.824 0.933 0.292 1.00 0.00 H +ATOM 111 HD1 TRP A 6 2.407 0.492 -1.782 1.00 0.00 H +ATOM 112 HE1 TRP A 6 4.421 0.258 -0.183 1.00 0.00 H +ATOM 113 HE3 TRP A 6 -0.097 0.448 2.689 1.00 0.00 H +ATOM 114 HZ2 TRP A 6 4.873 0.086 2.605 1.00 0.00 H +ATOM 115 HZ3 TRP A 6 1.170 0.248 4.818 1.00 0.00 H +ATOM 116 HH2 TRP A 6 3.648 0.079 4.793 1.00 0.00 H +ATOM 117 N LEU A 7 -1.559 -1.927 0.884 1.00 0.00 N +ATOM 118 CA LEU A 7 -1.650 -3.030 1.843 1.00 0.00 C +ATOM 119 C LEU A 7 -1.902 -4.384 1.166 1.00 0.00 C +ATOM 120 O LEU A 7 -1.269 -5.361 1.560 1.00 0.00 O +ATOM 121 CB LEU A 7 -2.733 -2.741 2.896 1.00 0.00 C +ATOM 122 CG LEU A 7 -2.320 -1.710 3.964 1.00 0.00 C +ATOM 123 CD1 LEU A 7 -3.516 -1.453 4.886 1.00 0.00 C +ATOM 124 CD2 LEU A 7 -1.139 -2.196 4.813 1.00 0.00 C +ATOM 125 H LEU A 7 -2.231 -1.165 0.952 1.00 0.00 H +ATOM 126 HA LEU A 7 -0.687 -3.126 2.344 1.00 0.00 H +ATOM 127 HB2 LEU A 7 -3.603 -2.370 2.390 1.00 0.00 H +ATOM 128 HB3 LEU A 7 -2.981 -3.673 3.405 1.00 0.00 H +ATOM 129 HG LEU A 7 -2.041 -0.773 3.487 1.00 0.00 H +ATOM 130 HD11 LEU A 7 -4.353 -1.069 4.302 1.00 0.00 H +ATOM 131 HD12 LEU A 7 -3.815 -2.379 5.378 1.00 0.00 H +ATOM 132 HD13 LEU A 7 -3.251 -0.717 5.645 1.00 0.00 H +ATOM 133 HD21 LEU A 7 -1.303 -3.225 5.133 1.00 0.00 H +ATOM 134 HD22 LEU A 7 -0.219 -2.141 4.234 1.00 0.00 H +ATOM 135 HD23 LEU A 7 -1.022 -1.564 5.694 1.00 0.00 H +ATOM 136 N LYS A 8 -2.764 -4.435 0.137 1.00 0.00 N +ATOM 137 CA LYS A 8 -3.064 -5.639 -0.660 1.00 0.00 C +ATOM 138 C LYS A 8 -1.824 -6.358 -1.202 1.00 0.00 C +ATOM 139 O LYS A 8 -1.858 -7.580 -1.310 1.00 0.00 O +ATOM 140 CB LYS A 8 -3.983 -5.265 -1.837 1.00 0.00 C +ATOM 141 CG LYS A 8 -5.484 -5.361 -1.533 1.00 0.00 C +ATOM 142 CD LYS A 8 -5.970 -6.821 -1.519 1.00 0.00 C +ATOM 143 CE LYS A 8 -7.373 -6.934 -2.133 1.00 0.00 C +ATOM 144 NZ LYS A 8 -7.546 -8.214 -2.860 1.00 0.00 N +ATOM 145 H LYS A 8 -3.276 -3.581 -0.075 1.00 0.00 H +ATOM 146 HA LYS A 8 -3.567 -6.365 -0.022 1.00 0.00 H +ATOM 147 HB2 LYS A 8 -3.764 -4.255 -2.124 1.00 0.00 H +ATOM 148 HB3 LYS A 8 -3.765 -5.907 -2.694 1.00 0.00 H +ATOM 149 HG2 LYS A 8 -5.673 -4.922 -0.572 1.00 0.00 H +ATOM 150 HG3 LYS A 8 -6.001 -4.816 -2.323 1.00 0.00 H +ATOM 151 HD2 LYS A 8 -5.288 -7.424 -2.086 1.00 0.00 H +ATOM 152 HD3 LYS A 8 -5.982 -7.196 -0.493 1.00 0.00 H +ATOM 153 HE2 LYS A 8 -8.103 -6.877 -1.348 1.00 0.00 H +ATOM 154 HE3 LYS A 8 -7.516 -6.106 -2.833 1.00 0.00 H +ATOM 155 HZ1 LYS A 8 -6.850 -8.287 -3.593 1.00 0.00 H +ATOM 156 HZ2 LYS A 8 -7.431 -8.996 -2.230 1.00 0.00 H +ATOM 157 HZ3 LYS A 8 -8.463 -8.259 -3.283 1.00 0.00 H +ATOM 158 N ASP A 9 -0.763 -5.623 -1.552 1.00 0.00 N +ATOM 159 CA ASP A 9 0.496 -6.197 -2.043 1.00 0.00 C +ATOM 160 C ASP A 9 1.282 -6.902 -0.920 1.00 0.00 C +ATOM 161 O ASP A 9 1.817 -7.991 -1.121 1.00 0.00 O +ATOM 162 CB ASP A 9 1.321 -5.072 -2.691 1.00 0.00 C +ATOM 163 CG ASP A 9 2.292 -5.605 -3.748 1.00 0.00 C +ATOM 164 OD1 ASP A 9 3.441 -5.927 -3.382 1.00 0.00 O +ATOM 165 OD2 ASP A 9 1.868 -5.659 -4.923 1.00 0.00 O +ATOM 166 H ASP A 9 -0.837 -4.618 -1.476 1.00 0.00 H +ATOM 167 HA ASP A 9 0.265 -6.940 -2.810 1.00 0.00 H +ATOM 168 HB2 ASP A 9 0.651 -4.376 -3.157 1.00 0.00 H +ATOM 169 HB3 ASP A 9 1.866 -4.522 -1.921 1.00 0.00 H +ATOM 170 N GLY A 10 1.295 -6.304 0.280 1.00 0.00 N +ATOM 171 CA GLY A 10 2.040 -6.794 1.445 1.00 0.00 C +ATOM 172 C GLY A 10 2.489 -5.723 2.455 1.00 0.00 C +ATOM 173 O GLY A 10 3.314 -6.013 3.317 1.00 0.00 O +ATOM 174 H GLY A 10 0.707 -5.487 0.357 1.00 0.00 H +ATOM 175 HA2 GLY A 10 1.418 -7.514 1.975 1.00 0.00 H +ATOM 176 HA3 GLY A 10 2.937 -7.314 1.102 1.00 0.00 H +ATOM 177 N GLY A 11 1.982 -4.483 2.376 1.00 0.00 N +ATOM 178 CA GLY A 11 2.428 -3.400 3.257 1.00 0.00 C +ATOM 179 C GLY A 11 3.939 -3.116 3.122 1.00 0.00 C +ATOM 180 O GLY A 11 4.431 -3.017 1.996 1.00 0.00 O +ATOM 181 H GLY A 11 1.270 -4.287 1.690 1.00 0.00 H +ATOM 182 HA2 GLY A 11 1.885 -2.490 3.006 1.00 0.00 H +ATOM 183 HA3 GLY A 11 2.184 -3.679 4.281 1.00 0.00 H +ATOM 184 N PRO A 12 4.698 -2.946 4.226 1.00 0.00 N +ATOM 185 CA PRO A 12 6.130 -2.631 4.172 1.00 0.00 C +ATOM 186 C PRO A 12 7.010 -3.666 3.454 1.00 0.00 C +ATOM 187 O PRO A 12 8.063 -3.297 2.936 1.00 0.00 O +ATOM 188 CB PRO A 12 6.588 -2.475 5.628 1.00 0.00 C +ATOM 189 CG PRO A 12 5.303 -2.191 6.399 1.00 0.00 C +ATOM 190 CD PRO A 12 4.243 -2.957 5.611 1.00 0.00 C +ATOM 191 HA PRO A 12 6.248 -1.673 3.664 1.00 0.00 H +ATOM 192 HB2 PRO A 12 7.051 -3.377 5.980 1.00 0.00 H +ATOM 193 HB3 PRO A 12 7.305 -1.661 5.732 1.00 0.00 H +ATOM 194 HG2 PRO A 12 5.371 -2.555 7.406 1.00 0.00 H +ATOM 195 HG3 PRO A 12 5.086 -1.123 6.366 1.00 0.00 H +ATOM 196 HD2 PRO A 12 4.164 -3.965 5.971 1.00 0.00 H +ATOM 197 HD3 PRO A 12 3.275 -2.469 5.727 1.00 0.00 H +ATOM 198 N SER A 13 6.616 -4.948 3.398 1.00 0.00 N +ATOM 199 CA SER A 13 7.425 -6.010 2.779 1.00 0.00 C +ATOM 200 C SER A 13 7.282 -6.083 1.247 1.00 0.00 C +ATOM 201 O SER A 13 7.825 -6.993 0.624 1.00 0.00 O +ATOM 202 CB SER A 13 7.160 -7.358 3.464 1.00 0.00 C +ATOM 203 OG SER A 13 5.803 -7.725 3.370 1.00 0.00 O +ATOM 204 H SER A 13 5.705 -5.222 3.755 1.00 0.00 H +ATOM 205 HA SER A 13 8.474 -5.782 2.964 1.00 0.00 H +ATOM 206 HB2 SER A 13 7.759 -8.113 2.992 1.00 0.00 H +ATOM 207 HB3 SER A 13 7.430 -7.277 4.519 1.00 0.00 H +ATOM 208 HG SER A 13 5.735 -8.681 3.298 1.00 0.00 H +ATOM 209 N SER A 14 6.606 -5.101 0.635 1.00 0.00 N +ATOM 210 CA SER A 14 6.348 -4.975 -0.808 1.00 0.00 C +ATOM 211 C SER A 14 7.404 -4.162 -1.577 1.00 0.00 C +ATOM 212 O SER A 14 7.289 -3.990 -2.790 1.00 0.00 O +ATOM 213 CB SER A 14 5.008 -4.262 -1.007 1.00 0.00 C +ATOM 214 OG SER A 14 4.002 -4.863 -0.226 1.00 0.00 O +ATOM 215 H SER A 14 6.121 -4.441 1.233 1.00 0.00 H +ATOM 216 HA SER A 14 6.278 -5.969 -1.254 1.00 0.00 H +ATOM 217 HB2 SER A 14 5.110 -3.234 -0.719 1.00 0.00 H +ATOM 218 HB3 SER A 14 4.727 -4.291 -2.059 1.00 0.00 H +ATOM 219 HG SER A 14 3.353 -4.187 -0.015 1.00 0.00 H +ATOM 220 N GLY A 15 8.395 -3.574 -0.897 1.00 0.00 N +ATOM 221 CA GLY A 15 9.449 -2.750 -1.509 1.00 0.00 C +ATOM 222 C GLY A 15 9.021 -1.317 -1.874 1.00 0.00 C +ATOM 223 O GLY A 15 9.808 -0.389 -1.697 1.00 0.00 O +ATOM 224 H GLY A 15 8.410 -3.718 0.104 1.00 0.00 H +ATOM 225 HA2 GLY A 15 10.294 -2.689 -0.823 1.00 0.00 H +ATOM 226 HA3 GLY A 15 9.796 -3.237 -2.420 1.00 0.00 H +ATOM 227 N ARG A 16 7.790 -1.115 -2.367 1.00 0.00 N +ATOM 228 CA ARG A 16 7.218 0.212 -2.656 1.00 0.00 C +ATOM 229 C ARG A 16 6.821 0.946 -1.353 1.00 0.00 C +ATOM 230 O ARG A 16 6.154 0.335 -0.515 1.00 0.00 O +ATOM 231 CB ARG A 16 6.002 0.046 -3.589 1.00 0.00 C +ATOM 232 CG ARG A 16 5.399 1.393 -4.024 1.00 0.00 C +ATOM 233 CD ARG A 16 4.125 1.223 -4.857 1.00 0.00 C +ATOM 234 NE ARG A 16 3.497 2.535 -5.114 1.00 0.00 N +ATOM 235 CZ ARG A 16 2.320 2.983 -4.685 1.00 0.00 C +ATOM 236 NH1 ARG A 16 1.482 2.226 -4.014 1.00 0.00 N +ATOM 237 NH2 ARG A 16 1.953 4.216 -4.940 1.00 0.00 N +ATOM 238 H ARG A 16 7.238 -1.952 -2.530 1.00 0.00 H +ATOM 239 HA ARG A 16 7.984 0.787 -3.176 1.00 0.00 H +ATOM 240 HB2 ARG A 16 6.312 -0.490 -4.465 1.00 0.00 H +ATOM 241 HB3 ARG A 16 5.238 -0.540 -3.076 1.00 0.00 H +ATOM 242 HG2 ARG A 16 5.163 1.964 -3.147 1.00 0.00 H +ATOM 243 HG3 ARG A 16 6.135 1.947 -4.608 1.00 0.00 H +ATOM 244 HD2 ARG A 16 4.374 0.761 -5.793 1.00 0.00 H +ATOM 245 HD3 ARG A 16 3.445 0.561 -4.322 1.00 0.00 H +ATOM 246 HE ARG A 16 4.053 3.192 -5.635 1.00 0.00 H +ATOM 247 HH11 ARG A 16 1.728 1.264 -3.884 1.00 0.00 H +ATOM 248 HH12 ARG A 16 0.601 2.578 -3.692 1.00 0.00 H +ATOM 249 HH21 ARG A 16 2.560 4.835 -5.449 1.00 0.00 H +ATOM 250 HH22 ARG A 16 1.060 4.549 -4.627 1.00 0.00 H +ATOM 251 N PRO A 17 7.132 2.251 -1.190 1.00 0.00 N +ATOM 252 CA PRO A 17 6.721 3.035 -0.016 1.00 0.00 C +ATOM 253 C PRO A 17 5.194 3.259 0.062 1.00 0.00 C +ATOM 254 O PRO A 17 4.507 3.162 -0.959 1.00 0.00 O +ATOM 255 CB PRO A 17 7.473 4.368 -0.143 1.00 0.00 C +ATOM 256 CG PRO A 17 7.674 4.523 -1.648 1.00 0.00 C +ATOM 257 CD PRO A 17 7.904 3.085 -2.103 1.00 0.00 C +ATOM 258 HA PRO A 17 7.053 2.520 0.885 1.00 0.00 H +ATOM 259 HB2 PRO A 17 6.889 5.177 0.251 1.00 0.00 H +ATOM 260 HB3 PRO A 17 8.446 4.287 0.346 1.00 0.00 H +ATOM 261 HG2 PRO A 17 6.803 4.942 -2.114 1.00 0.00 H +ATOM 262 HG3 PRO A 17 8.524 5.165 -1.882 1.00 0.00 H +ATOM 263 HD2 PRO A 17 7.561 2.953 -3.111 1.00 0.00 H +ATOM 264 HD3 PRO A 17 8.962 2.836 -2.011 1.00 0.00 H +ATOM 265 N PRO A 18 4.651 3.589 1.252 1.00 0.00 N +ATOM 266 CA PRO A 18 3.222 3.833 1.437 1.00 0.00 C +ATOM 267 C PRO A 18 2.772 5.142 0.759 1.00 0.00 C +ATOM 268 O PRO A 18 3.480 6.148 0.843 1.00 0.00 O +ATOM 269 CB PRO A 18 3.004 3.890 2.953 1.00 0.00 C +ATOM 270 CG PRO A 18 4.356 4.348 3.494 1.00 0.00 C +ATOM 271 CD PRO A 18 5.355 3.724 2.520 1.00 0.00 C +ATOM 272 HA PRO A 18 2.669 2.988 1.034 1.00 0.00 H +ATOM 273 HB2 PRO A 18 2.233 4.593 3.203 1.00 0.00 H +ATOM 274 HB3 PRO A 18 2.784 2.892 3.327 1.00 0.00 H +ATOM 275 HG2 PRO A 18 4.430 5.418 3.487 1.00 0.00 H +ATOM 276 HG3 PRO A 18 4.520 4.003 4.516 1.00 0.00 H +ATOM 277 HD2 PRO A 18 6.211 4.361 2.405 1.00 0.00 H +ATOM 278 HD3 PRO A 18 5.649 2.736 2.877 1.00 0.00 H +ATOM 279 N PRO A 19 1.591 5.165 0.108 1.00 0.00 N +ATOM 280 CA PRO A 19 1.031 6.371 -0.488 1.00 0.00 C +ATOM 281 C PRO A 19 0.380 7.262 0.584 1.00 0.00 C +ATOM 282 O PRO A 19 -0.321 6.767 1.470 1.00 0.00 O +ATOM 283 CB PRO A 19 0.009 5.859 -1.504 1.00 0.00 C +ATOM 284 CG PRO A 19 -0.512 4.571 -0.862 1.00 0.00 C +ATOM 285 CD PRO A 19 0.696 4.034 -0.095 1.00 0.00 C +ATOM 286 HA PRO A 19 1.809 6.936 -1.005 1.00 0.00 H +ATOM 287 HB2 PRO A 19 -0.784 6.568 -1.642 1.00 0.00 H +ATOM 288 HB3 PRO A 19 0.521 5.617 -2.437 1.00 0.00 H +ATOM 289 HG2 PRO A 19 -1.327 4.778 -0.196 1.00 0.00 H +ATOM 290 HG3 PRO A 19 -0.847 3.854 -1.611 1.00 0.00 H +ATOM 291 HD2 PRO A 19 0.386 3.632 0.850 1.00 0.00 H +ATOM 292 HD3 PRO A 19 1.206 3.279 -0.693 1.00 0.00 H +ATOM 293 N SER A 20 0.592 8.578 0.472 1.00 0.00 N +ATOM 294 CA SER A 20 0.019 9.620 1.329 1.00 0.00 C +ATOM 295 C SER A 20 -0.235 10.875 0.498 1.00 0.00 C +ATOM 296 O SER A 20 0.745 11.327 -0.137 1.00 0.00 O +ATOM 297 CB SER A 20 0.977 9.898 2.490 1.00 0.00 C +ATOM 298 OG SER A 20 0.308 10.641 3.489 1.00 0.00 O +ATOM 299 OXT SER A 20 -1.409 11.298 0.440 1.00 0.00 O +ATOM 300 H SER A 20 1.168 8.935 -0.278 1.00 0.00 H +ATOM 301 HA SER A 20 -0.939 9.293 1.731 1.00 0.00 H +ATOM 302 HB2 SER A 20 1.316 8.968 2.904 1.00 0.00 H +ATOM 303 HB3 SER A 20 1.845 10.449 2.120 1.00 0.00 H +ATOM 304 HG SER A 20 0.955 10.989 4.106 1.00 0.00 H +TER 305 SER A 20 +ENDMDL +MODEL 10 +ATOM 1 N ASN A 1 -6.943 6.963 0.951 1.00 0.00 N +ATOM 2 CA ASN A 1 -7.689 6.240 -0.107 1.00 0.00 C +ATOM 3 C ASN A 1 -6.888 5.124 -0.770 1.00 0.00 C +ATOM 4 O ASN A 1 -7.377 4.006 -0.773 1.00 0.00 O +ATOM 5 CB ASN A 1 -8.340 7.202 -1.116 1.00 0.00 C +ATOM 6 CG ASN A 1 -9.413 8.048 -0.430 1.00 0.00 C +ATOM 7 OD1 ASN A 1 -9.573 7.981 0.781 1.00 0.00 O +ATOM 8 ND2 ASN A 1 -10.146 8.872 -1.153 1.00 0.00 N +ATOM 9 H1 ASN A 1 -6.551 6.315 1.619 1.00 0.00 H +ATOM 10 H2 ASN A 1 -6.210 7.532 0.552 1.00 0.00 H +ATOM 11 H3 ASN A 1 -7.600 7.571 1.435 1.00 0.00 H +ATOM 12 HA ASN A 1 -8.514 5.723 0.389 1.00 0.00 H +ATOM 13 HB2 ASN A 1 -7.587 7.849 -1.524 1.00 0.00 H +ATOM 14 HB3 ASN A 1 -8.816 6.622 -1.909 1.00 0.00 H +ATOM 15 HD21 ASN A 1 -10.039 8.989 -2.148 1.00 0.00 H +ATOM 16 HD22 ASN A 1 -10.843 9.380 -0.632 1.00 0.00 H +ATOM 17 N LEU A 2 -5.683 5.360 -1.308 1.00 0.00 N +ATOM 18 CA LEU A 2 -4.939 4.305 -2.022 1.00 0.00 C +ATOM 19 C LEU A 2 -4.268 3.260 -1.097 1.00 0.00 C +ATOM 20 O LEU A 2 -3.716 2.270 -1.573 1.00 0.00 O +ATOM 21 CB LEU A 2 -3.943 4.985 -2.983 1.00 0.00 C +ATOM 22 CG LEU A 2 -3.510 4.134 -4.197 1.00 0.00 C +ATOM 23 CD1 LEU A 2 -4.689 3.815 -5.127 1.00 0.00 C +ATOM 24 CD2 LEU A 2 -2.467 4.910 -5.004 1.00 0.00 C +ATOM 25 H LEU A 2 -5.289 6.289 -1.343 1.00 0.00 H +ATOM 26 HA LEU A 2 -5.665 3.756 -2.620 1.00 0.00 H +ATOM 27 HB2 LEU A 2 -4.400 5.882 -3.353 1.00 0.00 H +ATOM 28 HB3 LEU A 2 -3.059 5.272 -2.417 1.00 0.00 H +ATOM 29 HG LEU A 2 -3.055 3.203 -3.864 1.00 0.00 H +ATOM 30 HD11 LEU A 2 -5.375 3.120 -4.648 1.00 0.00 H +ATOM 31 HD12 LEU A 2 -5.221 4.730 -5.390 1.00 0.00 H +ATOM 32 HD13 LEU A 2 -4.321 3.345 -6.040 1.00 0.00 H +ATOM 33 HD21 LEU A 2 -2.887 5.852 -5.359 1.00 0.00 H +ATOM 34 HD22 LEU A 2 -1.596 5.115 -4.384 1.00 0.00 H +ATOM 35 HD23 LEU A 2 -2.147 4.317 -5.861 1.00 0.00 H +ATOM 36 N TYR A 3 -4.340 3.443 0.228 1.00 0.00 N +ATOM 37 CA TYR A 3 -3.683 2.595 1.228 1.00 0.00 C +ATOM 38 C TYR A 3 -4.096 1.115 1.160 1.00 0.00 C +ATOM 39 O TYR A 3 -3.266 0.248 1.427 1.00 0.00 O +ATOM 40 CB TYR A 3 -3.925 3.179 2.630 1.00 0.00 C +ATOM 41 CG TYR A 3 -2.760 2.970 3.580 1.00 0.00 C +ATOM 42 CD1 TYR A 3 -1.680 3.874 3.561 1.00 0.00 C +ATOM 43 CD2 TYR A 3 -2.753 1.884 4.475 1.00 0.00 C +ATOM 44 CE1 TYR A 3 -0.588 3.691 4.430 1.00 0.00 C +ATOM 45 CE2 TYR A 3 -1.662 1.698 5.348 1.00 0.00 C +ATOM 46 CZ TYR A 3 -0.577 2.599 5.325 1.00 0.00 C +ATOM 47 OH TYR A 3 0.476 2.408 6.162 1.00 0.00 O +ATOM 48 H TYR A 3 -4.813 4.268 0.548 1.00 0.00 H +ATOM 49 HA TYR A 3 -2.609 2.637 1.035 1.00 0.00 H +ATOM 50 HB2 TYR A 3 -4.100 4.233 2.534 1.00 0.00 H +ATOM 51 HB3 TYR A 3 -4.832 2.746 3.057 1.00 0.00 H +ATOM 52 HD1 TYR A 3 -1.686 4.718 2.886 1.00 0.00 H +ATOM 53 HD2 TYR A 3 -3.582 1.193 4.494 1.00 0.00 H +ATOM 54 HE1 TYR A 3 0.229 4.396 4.422 1.00 0.00 H +ATOM 55 HE2 TYR A 3 -1.639 0.873 6.042 1.00 0.00 H +ATOM 56 HH TYR A 3 1.215 2.981 5.950 1.00 0.00 H +ATOM 57 N ILE A 4 -5.333 0.810 0.732 1.00 0.00 N +ATOM 58 CA ILE A 4 -5.790 -0.565 0.464 1.00 0.00 C +ATOM 59 C ILE A 4 -4.909 -1.223 -0.610 1.00 0.00 C +ATOM 60 O ILE A 4 -4.439 -2.342 -0.417 1.00 0.00 O +ATOM 61 CB ILE A 4 -7.285 -0.604 0.049 1.00 0.00 C +ATOM 62 CG1 ILE A 4 -8.234 0.069 1.074 1.00 0.00 C +ATOM 63 CG2 ILE A 4 -7.764 -2.056 -0.139 1.00 0.00 C +ATOM 64 CD1 ILE A 4 -8.662 1.477 0.657 1.00 0.00 C +ATOM 65 H ILE A 4 -5.959 1.576 0.529 1.00 0.00 H +ATOM 66 HA ILE A 4 -5.679 -1.148 1.381 1.00 0.00 H +ATOM 67 HB ILE A 4 -7.388 -0.102 -0.916 1.00 0.00 H +ATOM 68 HG12 ILE A 4 -9.112 -0.539 1.177 1.00 0.00 H +ATOM 69 HG13 ILE A 4 -7.760 0.113 2.055 1.00 0.00 H +ATOM 70 HG21 ILE A 4 -7.127 -2.599 -0.836 1.00 0.00 H +ATOM 71 HG22 ILE A 4 -7.772 -2.577 0.819 1.00 0.00 H +ATOM 72 HG23 ILE A 4 -8.776 -2.054 -0.550 1.00 0.00 H +ATOM 73 HD11 ILE A 4 -7.813 2.149 0.745 1.00 0.00 H +ATOM 74 HD12 ILE A 4 -9.034 1.472 -0.368 1.00 0.00 H +ATOM 75 HD13 ILE A 4 -9.458 1.827 1.316 1.00 0.00 H +ATOM 76 N GLN A 5 -4.664 -0.521 -1.727 1.00 0.00 N +ATOM 77 CA GLN A 5 -3.843 -0.981 -2.852 1.00 0.00 C +ATOM 78 C GLN A 5 -2.374 -1.203 -2.455 1.00 0.00 C +ATOM 79 O GLN A 5 -1.735 -2.102 -2.996 1.00 0.00 O +ATOM 80 CB GLN A 5 -3.966 0.016 -4.026 1.00 0.00 C +ATOM 81 CG GLN A 5 -4.731 -0.540 -5.248 1.00 0.00 C +ATOM 82 CD GLN A 5 -3.839 -0.991 -6.408 1.00 0.00 C +ATOM 83 OE1 GLN A 5 -2.801 -0.426 -6.704 1.00 0.00 O +ATOM 84 NE2 GLN A 5 -4.226 -2.006 -7.158 1.00 0.00 N +ATOM 85 H GLN A 5 -4.986 0.437 -1.755 1.00 0.00 H +ATOM 86 HA GLN A 5 -4.229 -1.945 -3.174 1.00 0.00 H +ATOM 87 HB2 GLN A 5 -4.481 0.889 -3.674 1.00 0.00 H +ATOM 88 HB3 GLN A 5 -2.974 0.357 -4.328 1.00 0.00 H +ATOM 89 HG2 GLN A 5 -5.311 -1.383 -4.925 1.00 0.00 H +ATOM 90 HG3 GLN A 5 -5.374 0.252 -5.631 1.00 0.00 H +ATOM 91 HE21 GLN A 5 -5.133 -2.431 -7.060 1.00 0.00 H +ATOM 92 HE22 GLN A 5 -3.683 -2.060 -8.004 1.00 0.00 H +ATOM 93 N TRP A 6 -1.859 -0.430 -1.488 1.00 0.00 N +ATOM 94 CA TRP A 6 -0.534 -0.641 -0.897 1.00 0.00 C +ATOM 95 C TRP A 6 -0.505 -1.815 0.100 1.00 0.00 C +ATOM 96 O TRP A 6 0.412 -2.635 0.060 1.00 0.00 O +ATOM 97 CB TRP A 6 -0.068 0.666 -0.245 1.00 0.00 C +ATOM 98 CG TRP A 6 1.303 0.611 0.356 1.00 0.00 C +ATOM 99 CD1 TRP A 6 2.468 0.703 -0.325 1.00 0.00 C +ATOM 100 CD2 TRP A 6 1.674 0.434 1.758 1.00 0.00 C +ATOM 101 NE1 TRP A 6 3.528 0.564 0.550 1.00 0.00 N +ATOM 102 CE2 TRP A 6 3.097 0.425 1.849 1.00 0.00 C +ATOM 103 CE3 TRP A 6 0.953 0.284 2.960 1.00 0.00 C +ATOM 104 CZ2 TRP A 6 3.775 0.299 3.069 1.00 0.00 C +ATOM 105 CZ3 TRP A 6 1.622 0.134 4.190 1.00 0.00 C +ATOM 106 CH2 TRP A 6 3.026 0.159 4.250 1.00 0.00 C +ATOM 107 H TRP A 6 -2.448 0.312 -1.131 1.00 0.00 H +ATOM 108 HA TRP A 6 0.169 -0.885 -1.694 1.00 0.00 H +ATOM 109 HB2 TRP A 6 -0.074 1.434 -0.994 1.00 0.00 H +ATOM 110 HB3 TRP A 6 -0.776 0.954 0.532 1.00 0.00 H +ATOM 111 HD1 TRP A 6 2.556 0.855 -1.394 1.00 0.00 H +ATOM 112 HE1 TRP A 6 4.512 0.575 0.270 1.00 0.00 H +ATOM 113 HE3 TRP A 6 -0.126 0.291 2.931 1.00 0.00 H +ATOM 114 HZ2 TRP A 6 4.854 0.309 3.090 1.00 0.00 H +ATOM 115 HZ3 TRP A 6 1.050 0.016 5.100 1.00 0.00 H +ATOM 116 HH2 TRP A 6 3.527 0.067 5.203 1.00 0.00 H +ATOM 117 N LEU A 7 -1.510 -1.935 0.978 1.00 0.00 N +ATOM 118 CA LEU A 7 -1.599 -3.048 1.926 1.00 0.00 C +ATOM 119 C LEU A 7 -1.809 -4.403 1.239 1.00 0.00 C +ATOM 120 O LEU A 7 -1.124 -5.355 1.613 1.00 0.00 O +ATOM 121 CB LEU A 7 -2.699 -2.798 2.974 1.00 0.00 C +ATOM 122 CG LEU A 7 -2.286 -1.852 4.119 1.00 0.00 C +ATOM 123 CD1 LEU A 7 -3.491 -1.640 5.038 1.00 0.00 C +ATOM 124 CD2 LEU A 7 -1.140 -2.415 4.972 1.00 0.00 C +ATOM 125 H LEU A 7 -2.224 -1.210 1.007 1.00 0.00 H +ATOM 126 HA LEU A 7 -0.640 -3.131 2.434 1.00 0.00 H +ATOM 127 HB2 LEU A 7 -3.547 -2.370 2.475 1.00 0.00 H +ATOM 128 HB3 LEU A 7 -2.977 -3.755 3.419 1.00 0.00 H +ATOM 129 HG LEU A 7 -1.983 -0.891 3.707 1.00 0.00 H +ATOM 130 HD11 LEU A 7 -4.312 -1.199 4.473 1.00 0.00 H +ATOM 131 HD12 LEU A 7 -3.814 -2.592 5.458 1.00 0.00 H +ATOM 132 HD13 LEU A 7 -3.224 -0.969 5.855 1.00 0.00 H +ATOM 133 HD21 LEU A 7 -1.389 -3.418 5.318 1.00 0.00 H +ATOM 134 HD22 LEU A 7 -0.217 -2.452 4.397 1.00 0.00 H +ATOM 135 HD23 LEU A 7 -0.968 -1.773 5.834 1.00 0.00 H +ATOM 136 N LYS A 8 -2.697 -4.510 0.235 1.00 0.00 N +ATOM 137 CA LYS A 8 -2.957 -5.783 -0.469 1.00 0.00 C +ATOM 138 C LYS A 8 -1.729 -6.374 -1.170 1.00 0.00 C +ATOM 139 O LYS A 8 -1.710 -7.566 -1.460 1.00 0.00 O +ATOM 140 CB LYS A 8 -4.168 -5.663 -1.419 1.00 0.00 C +ATOM 141 CG LYS A 8 -4.006 -4.746 -2.644 1.00 0.00 C +ATOM 142 CD LYS A 8 -3.193 -5.323 -3.812 1.00 0.00 C +ATOM 143 CE LYS A 8 -3.386 -4.457 -5.061 1.00 0.00 C +ATOM 144 NZ LYS A 8 -2.231 -4.566 -5.977 1.00 0.00 N +ATOM 145 H LYS A 8 -3.247 -3.686 -0.007 1.00 0.00 H +ATOM 146 HA LYS A 8 -3.228 -6.519 0.290 1.00 0.00 H +ATOM 147 HB2 LYS A 8 -4.396 -6.648 -1.779 1.00 0.00 H +ATOM 148 HB3 LYS A 8 -5.007 -5.283 -0.833 1.00 0.00 H +ATOM 149 HG2 LYS A 8 -4.987 -4.511 -3.011 1.00 0.00 H +ATOM 150 HG3 LYS A 8 -3.534 -3.825 -2.321 1.00 0.00 H +ATOM 151 HD2 LYS A 8 -2.153 -5.339 -3.548 1.00 0.00 H +ATOM 152 HD3 LYS A 8 -3.497 -6.350 -4.023 1.00 0.00 H +ATOM 153 HE2 LYS A 8 -4.271 -4.779 -5.575 1.00 0.00 H +ATOM 154 HE3 LYS A 8 -3.483 -3.417 -4.746 1.00 0.00 H +ATOM 155 HZ1 LYS A 8 -1.362 -4.377 -5.451 1.00 0.00 H +ATOM 156 HZ2 LYS A 8 -2.123 -5.504 -6.333 1.00 0.00 H +ATOM 157 HZ3 LYS A 8 -2.292 -3.898 -6.731 1.00 0.00 H +ATOM 158 N ASP A 9 -0.707 -5.552 -1.426 1.00 0.00 N +ATOM 159 CA ASP A 9 0.589 -5.960 -1.966 1.00 0.00 C +ATOM 160 C ASP A 9 1.516 -6.588 -0.906 1.00 0.00 C +ATOM 161 O ASP A 9 2.485 -7.250 -1.274 1.00 0.00 O +ATOM 162 CB ASP A 9 1.253 -4.722 -2.594 1.00 0.00 C +ATOM 163 CG ASP A 9 1.159 -4.718 -4.115 1.00 0.00 C +ATOM 164 OD1 ASP A 9 0.038 -4.607 -4.656 1.00 0.00 O +ATOM 165 OD2 ASP A 9 2.240 -4.782 -4.738 1.00 0.00 O +ATOM 166 H ASP A 9 -0.829 -4.576 -1.196 1.00 0.00 H +ATOM 167 HA ASP A 9 0.438 -6.713 -2.742 1.00 0.00 H +ATOM 168 HB2 ASP A 9 0.768 -3.843 -2.217 1.00 0.00 H +ATOM 169 HB3 ASP A 9 2.307 -4.701 -2.323 1.00 0.00 H +ATOM 170 N GLY A 10 1.212 -6.406 0.389 1.00 0.00 N +ATOM 171 CA GLY A 10 2.037 -6.837 1.523 1.00 0.00 C +ATOM 172 C GLY A 10 2.524 -5.698 2.431 1.00 0.00 C +ATOM 173 O GLY A 10 3.335 -5.946 3.326 1.00 0.00 O +ATOM 174 H GLY A 10 0.334 -5.944 0.606 1.00 0.00 H +ATOM 175 HA2 GLY A 10 1.452 -7.525 2.133 1.00 0.00 H +ATOM 176 HA3 GLY A 10 2.916 -7.372 1.161 1.00 0.00 H +ATOM 177 N GLY A 11 2.079 -4.450 2.212 1.00 0.00 N +ATOM 178 CA GLY A 11 2.527 -3.280 2.968 1.00 0.00 C +ATOM 179 C GLY A 11 4.060 -3.125 2.939 1.00 0.00 C +ATOM 180 O GLY A 11 4.630 -3.169 1.842 1.00 0.00 O +ATOM 181 H GLY A 11 1.473 -4.294 1.414 1.00 0.00 H +ATOM 182 HA2 GLY A 11 2.088 -2.385 2.527 1.00 0.00 H +ATOM 183 HA3 GLY A 11 2.161 -3.373 3.989 1.00 0.00 H +ATOM 184 N PRO A 12 4.753 -2.971 4.089 1.00 0.00 N +ATOM 185 CA PRO A 12 6.211 -2.791 4.140 1.00 0.00 C +ATOM 186 C PRO A 12 7.014 -3.874 3.403 1.00 0.00 C +ATOM 187 O PRO A 12 8.041 -3.574 2.797 1.00 0.00 O +ATOM 188 CB PRO A 12 6.582 -2.768 5.628 1.00 0.00 C +ATOM 189 CG PRO A 12 5.287 -2.370 6.329 1.00 0.00 C +ATOM 190 CD PRO A 12 4.205 -2.974 5.438 1.00 0.00 C +ATOM 191 HA PRO A 12 6.452 -1.822 3.699 1.00 0.00 H +ATOM 192 HB2 PRO A 12 6.909 -3.736 5.954 1.00 0.00 H +ATOM 193 HB3 PRO A 12 7.381 -2.053 5.830 1.00 0.00 H +ATOM 194 HG2 PRO A 12 5.244 -2.782 7.319 1.00 0.00 H +ATOM 195 HG3 PRO A 12 5.193 -1.282 6.336 1.00 0.00 H +ATOM 196 HD2 PRO A 12 3.982 -3.977 5.748 1.00 0.00 H +ATOM 197 HD3 PRO A 12 3.295 -2.381 5.511 1.00 0.00 H +ATOM 198 N SER A 13 6.533 -5.123 3.409 1.00 0.00 N +ATOM 199 CA SER A 13 7.187 -6.275 2.772 1.00 0.00 C +ATOM 200 C SER A 13 7.064 -6.297 1.237 1.00 0.00 C +ATOM 201 O SER A 13 7.472 -7.272 0.612 1.00 0.00 O +ATOM 202 CB SER A 13 6.637 -7.571 3.386 1.00 0.00 C +ATOM 203 OG SER A 13 6.985 -7.634 4.757 1.00 0.00 O +ATOM 204 H SER A 13 5.655 -5.302 3.884 1.00 0.00 H +ATOM 205 HA SER A 13 8.253 -6.230 2.991 1.00 0.00 H +ATOM 206 HB2 SER A 13 5.569 -7.587 3.288 1.00 0.00 H +ATOM 207 HB3 SER A 13 7.058 -8.437 2.875 1.00 0.00 H +ATOM 208 HG SER A 13 7.938 -7.738 4.830 1.00 0.00 H +ATOM 209 N SER A 14 6.524 -5.234 0.624 1.00 0.00 N +ATOM 210 CA SER A 14 6.244 -5.155 -0.818 1.00 0.00 C +ATOM 211 C SER A 14 7.352 -4.486 -1.642 1.00 0.00 C +ATOM 212 O SER A 14 7.292 -4.512 -2.869 1.00 0.00 O +ATOM 213 CB SER A 14 4.956 -4.361 -1.069 1.00 0.00 C +ATOM 214 OG SER A 14 3.953 -4.634 -0.126 1.00 0.00 O +ATOM 215 H SER A 14 6.200 -4.481 1.217 1.00 0.00 H +ATOM 216 HA SER A 14 6.093 -6.164 -1.206 1.00 0.00 H +ATOM 217 HB2 SER A 14 5.186 -3.314 -1.030 1.00 0.00 H +ATOM 218 HB3 SER A 14 4.589 -4.586 -2.070 1.00 0.00 H +ATOM 219 HG SER A 14 4.150 -4.078 0.666 1.00 0.00 H +ATOM 220 N GLY A 15 8.336 -3.840 -0.998 1.00 0.00 N +ATOM 221 CA GLY A 15 9.395 -3.094 -1.693 1.00 0.00 C +ATOM 222 C GLY A 15 8.943 -1.756 -2.301 1.00 0.00 C +ATOM 223 O GLY A 15 9.512 -1.327 -3.303 1.00 0.00 O +ATOM 224 H GLY A 15 8.352 -3.897 0.012 1.00 0.00 H +ATOM 225 HA2 GLY A 15 10.206 -2.893 -0.996 1.00 0.00 H +ATOM 226 HA3 GLY A 15 9.795 -3.712 -2.500 1.00 0.00 H +ATOM 227 N ARG A 16 7.916 -1.105 -1.732 1.00 0.00 N +ATOM 228 CA ARG A 16 7.364 0.181 -2.198 1.00 0.00 C +ATOM 229 C ARG A 16 6.867 1.046 -1.024 1.00 0.00 C +ATOM 230 O ARG A 16 6.262 0.497 -0.098 1.00 0.00 O +ATOM 231 CB ARG A 16 6.251 -0.057 -3.241 1.00 0.00 C +ATOM 232 CG ARG A 16 5.161 -1.058 -2.811 1.00 0.00 C +ATOM 233 CD ARG A 16 4.134 -1.346 -3.924 1.00 0.00 C +ATOM 234 NE ARG A 16 4.103 -2.766 -4.336 1.00 0.00 N +ATOM 235 CZ ARG A 16 5.054 -3.492 -4.909 1.00 0.00 C +ATOM 236 NH1 ARG A 16 6.220 -2.996 -5.246 1.00 0.00 N +ATOM 237 NH2 ARG A 16 4.821 -4.753 -5.163 1.00 0.00 N +ATOM 238 H ARG A 16 7.511 -1.511 -0.898 1.00 0.00 H +ATOM 239 HA ARG A 16 8.172 0.718 -2.695 1.00 0.00 H +ATOM 240 HB2 ARG A 16 5.778 0.884 -3.444 1.00 0.00 H +ATOM 241 HB3 ARG A 16 6.725 -0.430 -4.149 1.00 0.00 H +ATOM 242 HG2 ARG A 16 5.634 -1.981 -2.535 1.00 0.00 H +ATOM 243 HG3 ARG A 16 4.637 -0.670 -1.938 1.00 0.00 H +ATOM 244 HD2 ARG A 16 3.159 -1.073 -3.568 1.00 0.00 H +ATOM 245 HD3 ARG A 16 4.340 -0.723 -4.795 1.00 0.00 H +ATOM 246 HE ARG A 16 3.238 -3.299 -4.232 1.00 0.00 H +ATOM 247 HH11 ARG A 16 6.407 -2.037 -5.038 1.00 0.00 H +ATOM 248 HH12 ARG A 16 6.943 -3.615 -5.560 1.00 0.00 H +ATOM 249 HH21 ARG A 16 3.839 -5.043 -5.009 1.00 0.00 H +ATOM 250 HH22 ARG A 16 5.505 -5.381 -5.529 1.00 0.00 H +ATOM 251 N PRO A 17 7.083 2.378 -1.045 1.00 0.00 N +ATOM 252 CA PRO A 17 6.638 3.277 0.023 1.00 0.00 C +ATOM 253 C PRO A 17 5.104 3.442 0.035 1.00 0.00 C +ATOM 254 O PRO A 17 4.455 3.170 -0.978 1.00 0.00 O +ATOM 255 CB PRO A 17 7.343 4.610 -0.260 1.00 0.00 C +ATOM 256 CG PRO A 17 7.496 4.611 -1.779 1.00 0.00 C +ATOM 257 CD PRO A 17 7.741 3.138 -2.101 1.00 0.00 C +ATOM 258 HA PRO A 17 6.968 2.888 0.986 1.00 0.00 H +ATOM 259 HB2 PRO A 17 6.744 5.438 0.067 1.00 0.00 H +ATOM 260 HB3 PRO A 17 8.332 4.604 0.204 1.00 0.00 H +ATOM 261 HG2 PRO A 17 6.603 4.967 -2.256 1.00 0.00 H +ATOM 262 HG3 PRO A 17 8.328 5.240 -2.103 1.00 0.00 H +ATOM 263 HD2 PRO A 17 7.319 2.890 -3.056 1.00 0.00 H +ATOM 264 HD3 PRO A 17 8.812 2.932 -2.083 1.00 0.00 H +ATOM 265 N PRO A 18 4.512 3.890 1.161 1.00 0.00 N +ATOM 266 CA PRO A 18 3.074 4.111 1.260 1.00 0.00 C +ATOM 267 C PRO A 18 2.616 5.335 0.440 1.00 0.00 C +ATOM 268 O PRO A 18 3.395 6.265 0.230 1.00 0.00 O +ATOM 269 CB PRO A 18 2.796 4.301 2.754 1.00 0.00 C +ATOM 270 CG PRO A 18 4.105 4.879 3.287 1.00 0.00 C +ATOM 271 CD PRO A 18 5.162 4.183 2.431 1.00 0.00 C +ATOM 272 HA PRO A 18 2.556 3.220 0.910 1.00 0.00 H +ATOM 273 HB2 PRO A 18 1.983 4.984 2.910 1.00 0.00 H +ATOM 274 HB3 PRO A 18 2.610 3.329 3.214 1.00 0.00 H +ATOM 275 HG2 PRO A 18 4.140 5.943 3.153 1.00 0.00 H +ATOM 276 HG3 PRO A 18 4.240 4.666 4.348 1.00 0.00 H +ATOM 277 HD2 PRO A 18 6.005 4.829 2.279 1.00 0.00 H +ATOM 278 HD3 PRO A 18 5.463 3.249 2.906 1.00 0.00 H +ATOM 279 N PRO A 19 1.341 5.370 0.004 1.00 0.00 N +ATOM 280 CA PRO A 19 0.777 6.481 -0.754 1.00 0.00 C +ATOM 281 C PRO A 19 0.447 7.673 0.157 1.00 0.00 C +ATOM 282 O PRO A 19 -0.482 7.605 0.965 1.00 0.00 O +ATOM 283 CB PRO A 19 -0.466 5.904 -1.437 1.00 0.00 C +ATOM 284 CG PRO A 19 -0.933 4.811 -0.475 1.00 0.00 C +ATOM 285 CD PRO A 19 0.371 4.292 0.127 1.00 0.00 C +ATOM 286 HA PRO A 19 1.481 6.804 -1.523 1.00 0.00 H +ATOM 287 HB2 PRO A 19 -1.221 6.657 -1.557 1.00 0.00 H +ATOM 288 HB3 PRO A 19 -0.172 5.448 -2.384 1.00 0.00 H +ATOM 289 HG2 PRO A 19 -1.573 5.216 0.285 1.00 0.00 H +ATOM 290 HG3 PRO A 19 -1.468 4.019 -0.996 1.00 0.00 H +ATOM 291 HD2 PRO A 19 0.227 4.038 1.160 1.00 0.00 H +ATOM 292 HD3 PRO A 19 0.725 3.441 -0.450 1.00 0.00 H +ATOM 293 N SER A 20 1.209 8.762 0.004 1.00 0.00 N +ATOM 294 CA SER A 20 1.059 10.038 0.716 1.00 0.00 C +ATOM 295 C SER A 20 1.217 11.216 -0.248 1.00 0.00 C +ATOM 296 O SER A 20 2.389 11.403 -0.664 1.00 0.00 O +ATOM 297 CB SER A 20 2.098 10.115 1.845 1.00 0.00 C +ATOM 298 OG SER A 20 3.359 10.263 1.230 1.00 0.00 O +ATOM 299 OXT SER A 20 0.202 11.886 -0.520 1.00 0.00 O +ATOM 300 H SER A 20 1.991 8.709 -0.634 1.00 0.00 H +ATOM 301 HA SER A 20 0.060 10.107 1.146 1.00 0.00 H +ATOM 302 HB2 SER A 20 1.894 10.958 2.477 1.00 0.00 H +ATOM 303 HB3 SER A 20 2.070 9.211 2.456 1.00 0.00 H +ATOM 304 HG SER A 20 3.120 10.769 0.374 1.00 0.00 H +TER 305 SER A 20 +ENDMDL +MODEL 11 +ATOM 1 N ASN A 1 -6.688 7.436 -0.473 1.00 0.00 N +ATOM 2 CA ASN A 1 -7.529 6.238 -0.712 1.00 0.00 C +ATOM 3 C ASN A 1 -6.749 5.006 -1.210 1.00 0.00 C +ATOM 4 O ASN A 1 -7.279 3.906 -1.158 1.00 0.00 O +ATOM 5 CB ASN A 1 -8.713 6.573 -1.639 1.00 0.00 C +ATOM 6 CG ASN A 1 -9.880 5.632 -1.366 1.00 0.00 C +ATOM 7 OD1 ASN A 1 -10.413 5.629 -0.269 1.00 0.00 O +ATOM 8 ND2 ASN A 1 -10.300 4.816 -2.315 1.00 0.00 N +ATOM 9 H1 ASN A 1 -5.936 7.221 0.168 1.00 0.00 H +ATOM 10 H2 ASN A 1 -6.305 7.780 -1.344 1.00 0.00 H +ATOM 11 H3 ASN A 1 -7.252 8.169 -0.065 1.00 0.00 H +ATOM 12 HA ASN A 1 -7.963 5.944 0.246 1.00 0.00 H +ATOM 13 HB2 ASN A 1 -9.025 7.584 -1.463 1.00 0.00 H +ATOM 14 HB3 ASN A 1 -8.412 6.523 -2.686 1.00 0.00 H +ATOM 15 HD21 ASN A 1 -9.869 4.743 -3.220 1.00 0.00 H +ATOM 16 HD22 ASN A 1 -11.067 4.224 -2.039 1.00 0.00 H +ATOM 17 N LEU A 2 -5.494 5.147 -1.665 1.00 0.00 N +ATOM 18 CA LEU A 2 -4.691 4.051 -2.237 1.00 0.00 C +ATOM 19 C LEU A 2 -4.046 3.125 -1.181 1.00 0.00 C +ATOM 20 O LEU A 2 -3.429 2.120 -1.531 1.00 0.00 O +ATOM 21 CB LEU A 2 -3.615 4.692 -3.131 1.00 0.00 C +ATOM 22 CG LEU A 2 -4.196 5.327 -4.413 1.00 0.00 C +ATOM 23 CD1 LEU A 2 -3.432 6.605 -4.768 1.00 0.00 C +ATOM 24 CD2 LEU A 2 -4.134 4.351 -5.589 1.00 0.00 C +ATOM 25 H LEU A 2 -5.038 6.044 -1.695 1.00 0.00 H +ATOM 26 HA LEU A 2 -5.328 3.419 -2.859 1.00 0.00 H +ATOM 27 HB2 LEU A 2 -3.113 5.455 -2.568 1.00 0.00 H +ATOM 28 HB3 LEU A 2 -2.872 3.942 -3.409 1.00 0.00 H +ATOM 29 HG LEU A 2 -5.238 5.607 -4.254 1.00 0.00 H +ATOM 30 HD11 LEU A 2 -3.529 7.331 -3.961 1.00 0.00 H +ATOM 31 HD12 LEU A 2 -2.377 6.382 -4.926 1.00 0.00 H +ATOM 32 HD13 LEU A 2 -3.850 7.041 -5.676 1.00 0.00 H +ATOM 33 HD21 LEU A 2 -3.107 4.029 -5.760 1.00 0.00 H +ATOM 34 HD22 LEU A 2 -4.756 3.481 -5.378 1.00 0.00 H +ATOM 35 HD23 LEU A 2 -4.508 4.834 -6.491 1.00 0.00 H +ATOM 36 N TYR A 3 -4.195 3.445 0.111 1.00 0.00 N +ATOM 37 CA TYR A 3 -3.594 2.700 1.221 1.00 0.00 C +ATOM 38 C TYR A 3 -4.029 1.227 1.239 1.00 0.00 C +ATOM 39 O TYR A 3 -3.224 0.352 1.545 1.00 0.00 O +ATOM 40 CB TYR A 3 -3.934 3.395 2.550 1.00 0.00 C +ATOM 41 CG TYR A 3 -2.766 3.426 3.514 1.00 0.00 C +ATOM 42 CD1 TYR A 3 -2.442 2.278 4.260 1.00 0.00 C +ATOM 43 CD2 TYR A 3 -1.987 4.594 3.643 1.00 0.00 C +ATOM 44 CE1 TYR A 3 -1.344 2.291 5.138 1.00 0.00 C +ATOM 45 CE2 TYR A 3 -0.891 4.614 4.527 1.00 0.00 C +ATOM 46 CZ TYR A 3 -0.566 3.461 5.272 1.00 0.00 C +ATOM 47 OH TYR A 3 0.481 3.472 6.138 1.00 0.00 O +ATOM 48 H TYR A 3 -4.719 4.274 0.329 1.00 0.00 H +ATOM 49 HA TYR A 3 -2.512 2.721 1.090 1.00 0.00 H +ATOM 50 HB2 TYR A 3 -4.233 4.404 2.342 1.00 0.00 H +ATOM 51 HB3 TYR A 3 -4.777 2.889 3.026 1.00 0.00 H +ATOM 52 HD1 TYR A 3 -3.039 1.385 4.148 1.00 0.00 H +ATOM 53 HD2 TYR A 3 -2.219 5.478 3.065 1.00 0.00 H +ATOM 54 HE1 TYR A 3 -1.086 1.416 5.715 1.00 0.00 H +ATOM 55 HE2 TYR A 3 -0.292 5.509 4.627 1.00 0.00 H +ATOM 56 HH TYR A 3 0.250 3.913 6.958 1.00 0.00 H +ATOM 57 N ILE A 4 -5.286 0.955 0.858 1.00 0.00 N +ATOM 58 CA ILE A 4 -5.847 -0.393 0.739 1.00 0.00 C +ATOM 59 C ILE A 4 -5.076 -1.179 -0.327 1.00 0.00 C +ATOM 60 O ILE A 4 -4.596 -2.269 -0.040 1.00 0.00 O +ATOM 61 CB ILE A 4 -7.361 -0.341 0.420 1.00 0.00 C +ATOM 62 CG1 ILE A 4 -8.160 0.545 1.415 1.00 0.00 C +ATOM 63 CG2 ILE A 4 -7.962 -1.760 0.413 1.00 0.00 C +ATOM 64 CD1 ILE A 4 -9.201 1.423 0.710 1.00 0.00 C +ATOM 65 H ILE A 4 -5.875 1.740 0.624 1.00 0.00 H +ATOM 66 HA ILE A 4 -5.714 -0.910 1.692 1.00 0.00 H +ATOM 67 HB ILE A 4 -7.471 0.071 -0.583 1.00 0.00 H +ATOM 68 HG12 ILE A 4 -8.664 -0.092 2.116 1.00 0.00 H +ATOM 69 HG13 ILE A 4 -7.498 1.210 1.968 1.00 0.00 H +ATOM 70 HG21 ILE A 4 -7.462 -2.390 -0.323 1.00 0.00 H +ATOM 71 HG22 ILE A 4 -7.853 -2.219 1.398 1.00 0.00 H +ATOM 72 HG23 ILE A 4 -9.022 -1.713 0.159 1.00 0.00 H +ATOM 73 HD11 ILE A 4 -8.755 1.914 -0.157 1.00 0.00 H +ATOM 74 HD12 ILE A 4 -10.046 0.816 0.386 1.00 0.00 H +ATOM 75 HD13 ILE A 4 -9.552 2.192 1.399 1.00 0.00 H +ATOM 76 N GLN A 5 -4.908 -0.611 -1.532 1.00 0.00 N +ATOM 77 CA GLN A 5 -4.116 -1.188 -2.627 1.00 0.00 C +ATOM 78 C GLN A 5 -2.676 -1.485 -2.194 1.00 0.00 C +ATOM 79 O GLN A 5 -2.183 -2.586 -2.432 1.00 0.00 O +ATOM 80 CB GLN A 5 -4.133 -0.239 -3.843 1.00 0.00 C +ATOM 81 CG GLN A 5 -5.217 -0.612 -4.859 1.00 0.00 C +ATOM 82 CD GLN A 5 -5.369 0.472 -5.923 1.00 0.00 C +ATOM 83 OE1 GLN A 5 -6.272 1.289 -5.876 1.00 0.00 O +ATOM 84 NE2 GLN A 5 -4.484 0.535 -6.899 1.00 0.00 N +ATOM 85 H GLN A 5 -5.264 0.324 -1.655 1.00 0.00 H +ATOM 86 HA GLN A 5 -4.559 -2.141 -2.917 1.00 0.00 H +ATOM 87 HB2 GLN A 5 -4.314 0.761 -3.498 1.00 0.00 H +ATOM 88 HB3 GLN A 5 -3.168 -0.273 -4.350 1.00 0.00 H +ATOM 89 HG2 GLN A 5 -4.948 -1.535 -5.335 1.00 0.00 H +ATOM 90 HG3 GLN A 5 -6.173 -0.735 -4.347 1.00 0.00 H +ATOM 91 HE21 GLN A 5 -3.716 -0.109 -6.984 1.00 0.00 H +ATOM 92 HE22 GLN A 5 -4.657 1.272 -7.562 1.00 0.00 H +ATOM 93 N TRP A 6 -2.015 -0.526 -1.535 1.00 0.00 N +ATOM 94 CA TRP A 6 -0.661 -0.714 -1.009 1.00 0.00 C +ATOM 95 C TRP A 6 -0.581 -1.833 0.042 1.00 0.00 C +ATOM 96 O TRP A 6 0.287 -2.706 -0.046 1.00 0.00 O +ATOM 97 CB TRP A 6 -0.147 0.614 -0.453 1.00 0.00 C +ATOM 98 CG TRP A 6 1.240 0.540 0.100 1.00 0.00 C +ATOM 99 CD1 TRP A 6 2.369 0.426 -0.635 1.00 0.00 C +ATOM 100 CD2 TRP A 6 1.668 0.524 1.498 1.00 0.00 C +ATOM 101 NE1 TRP A 6 3.457 0.329 0.207 1.00 0.00 N +ATOM 102 CE2 TRP A 6 3.087 0.401 1.528 1.00 0.00 C +ATOM 103 CE3 TRP A 6 1.008 0.607 2.744 1.00 0.00 C +ATOM 104 CZ2 TRP A 6 3.824 0.375 2.719 1.00 0.00 C +ATOM 105 CZ3 TRP A 6 1.737 0.578 3.950 1.00 0.00 C +ATOM 106 CH2 TRP A 6 3.140 0.468 3.941 1.00 0.00 C +ATOM 107 H TRP A 6 -2.482 0.369 -1.404 1.00 0.00 H +ATOM 108 HA TRP A 6 -0.009 -1.011 -1.832 1.00 0.00 H +ATOM 109 HB2 TRP A 6 -0.158 1.339 -1.244 1.00 0.00 H +ATOM 110 HB3 TRP A 6 -0.819 0.959 0.333 1.00 0.00 H +ATOM 111 HD1 TRP A 6 2.409 0.399 -1.716 1.00 0.00 H +ATOM 112 HE1 TRP A 6 4.432 0.245 -0.091 1.00 0.00 H +ATOM 113 HE3 TRP A 6 -0.065 0.714 2.764 1.00 0.00 H +ATOM 114 HZ2 TRP A 6 4.901 0.285 2.682 1.00 0.00 H +ATOM 115 HZ3 TRP A 6 1.222 0.668 4.895 1.00 0.00 H +ATOM 116 HH2 TRP A 6 3.687 0.462 4.872 1.00 0.00 H +ATOM 117 N LEU A 7 -1.500 -1.852 1.018 1.00 0.00 N +ATOM 118 CA LEU A 7 -1.566 -2.933 2.003 1.00 0.00 C +ATOM 119 C LEU A 7 -1.887 -4.289 1.365 1.00 0.00 C +ATOM 120 O LEU A 7 -1.341 -5.295 1.810 1.00 0.00 O +ATOM 121 CB LEU A 7 -2.578 -2.606 3.117 1.00 0.00 C +ATOM 122 CG LEU A 7 -2.079 -1.558 4.127 1.00 0.00 C +ATOM 123 CD1 LEU A 7 -3.224 -1.188 5.075 1.00 0.00 C +ATOM 124 CD2 LEU A 7 -0.891 -2.038 4.980 1.00 0.00 C +ATOM 125 H LEU A 7 -2.182 -1.096 1.068 1.00 0.00 H +ATOM 126 HA LEU A 7 -0.574 -3.041 2.436 1.00 0.00 H +ATOM 127 HB2 LEU A 7 -3.475 -2.234 2.660 1.00 0.00 H +ATOM 128 HB3 LEU A 7 -2.812 -3.520 3.665 1.00 0.00 H +ATOM 129 HG LEU A 7 -1.776 -0.664 3.583 1.00 0.00 H +ATOM 130 HD11 LEU A 7 -4.066 -0.795 4.505 1.00 0.00 H +ATOM 131 HD12 LEU A 7 -3.553 -2.070 5.626 1.00 0.00 H +ATOM 132 HD13 LEU A 7 -2.889 -0.433 5.787 1.00 0.00 H +ATOM 133 HD21 LEU A 7 -1.235 -2.453 5.927 1.00 0.00 H +ATOM 134 HD22 LEU A 7 -0.314 -2.808 4.473 1.00 0.00 H +ATOM 135 HD23 LEU A 7 -0.234 -1.196 5.184 1.00 0.00 H +ATOM 136 N LYS A 8 -2.711 -4.325 0.308 1.00 0.00 N +ATOM 137 CA LYS A 8 -3.090 -5.545 -0.417 1.00 0.00 C +ATOM 138 C LYS A 8 -1.889 -6.299 -0.992 1.00 0.00 C +ATOM 139 O LYS A 8 -1.885 -7.526 -0.985 1.00 0.00 O +ATOM 140 CB LYS A 8 -4.077 -5.189 -1.537 1.00 0.00 C +ATOM 141 CG LYS A 8 -4.961 -6.377 -1.915 1.00 0.00 C +ATOM 142 CD LYS A 8 -6.092 -5.927 -2.853 1.00 0.00 C +ATOM 143 CE LYS A 8 -6.345 -6.989 -3.925 1.00 0.00 C +ATOM 144 NZ LYS A 8 -7.706 -6.871 -4.496 1.00 0.00 N +ATOM 145 H LYS A 8 -3.163 -3.451 0.044 1.00 0.00 H +ATOM 146 HA LYS A 8 -3.576 -6.217 0.293 1.00 0.00 H +ATOM 147 HB2 LYS A 8 -4.702 -4.383 -1.205 1.00 0.00 H +ATOM 148 HB3 LYS A 8 -3.527 -4.857 -2.421 1.00 0.00 H +ATOM 149 HG2 LYS A 8 -4.364 -7.118 -2.411 1.00 0.00 H +ATOM 150 HG3 LYS A 8 -5.410 -6.796 -1.012 1.00 0.00 H +ATOM 151 HD2 LYS A 8 -6.988 -5.780 -2.282 1.00 0.00 H +ATOM 152 HD3 LYS A 8 -5.831 -4.988 -3.347 1.00 0.00 H +ATOM 153 HE2 LYS A 8 -5.625 -6.869 -4.712 1.00 0.00 H +ATOM 154 HE3 LYS A 8 -6.210 -7.979 -3.483 1.00 0.00 H +ATOM 155 HZ1 LYS A 8 -8.393 -7.094 -3.788 1.00 0.00 H +ATOM 156 HZ2 LYS A 8 -7.869 -5.930 -4.825 1.00 0.00 H +ATOM 157 HZ3 LYS A 8 -7.818 -7.515 -5.269 1.00 0.00 H +ATOM 158 N ASP A 9 -0.879 -5.565 -1.461 1.00 0.00 N +ATOM 159 CA ASP A 9 0.388 -6.124 -1.938 1.00 0.00 C +ATOM 160 C ASP A 9 1.241 -6.707 -0.792 1.00 0.00 C +ATOM 161 O ASP A 9 2.087 -7.564 -1.026 1.00 0.00 O +ATOM 162 CB ASP A 9 1.146 -5.019 -2.691 1.00 0.00 C +ATOM 163 CG ASP A 9 2.006 -5.586 -3.819 1.00 0.00 C +ATOM 164 OD1 ASP A 9 3.181 -5.908 -3.534 1.00 0.00 O +ATOM 165 OD2 ASP A 9 1.487 -5.664 -4.954 1.00 0.00 O +ATOM 166 H ASP A 9 -0.992 -4.558 -1.468 1.00 0.00 H +ATOM 167 HA ASP A 9 0.170 -6.935 -2.635 1.00 0.00 H +ATOM 168 HB2 ASP A 9 0.435 -4.333 -3.108 1.00 0.00 H +ATOM 169 HB3 ASP A 9 1.772 -4.458 -1.992 1.00 0.00 H +ATOM 170 N GLY A 10 0.985 -6.274 0.450 1.00 0.00 N +ATOM 171 CA GLY A 10 1.737 -6.639 1.646 1.00 0.00 C +ATOM 172 C GLY A 10 2.495 -5.468 2.278 1.00 0.00 C +ATOM 173 O GLY A 10 3.461 -5.715 3.003 1.00 0.00 O +ATOM 174 H GLY A 10 0.165 -5.692 0.580 1.00 0.00 H +ATOM 175 HA2 GLY A 10 1.039 -7.025 2.389 1.00 0.00 H +ATOM 176 HA3 GLY A 10 2.442 -7.433 1.411 1.00 0.00 H +ATOM 177 N GLY A 11 2.110 -4.213 1.995 1.00 0.00 N +ATOM 178 CA GLY A 11 2.673 -3.013 2.615 1.00 0.00 C +ATOM 179 C GLY A 11 4.207 -2.948 2.501 1.00 0.00 C +ATOM 180 O GLY A 11 4.725 -3.042 1.386 1.00 0.00 O +ATOM 181 H GLY A 11 1.398 -4.072 1.288 1.00 0.00 H +ATOM 182 HA2 GLY A 11 2.258 -2.139 2.116 1.00 0.00 H +ATOM 183 HA3 GLY A 11 2.357 -2.986 3.655 1.00 0.00 H +ATOM 184 N PRO A 12 4.960 -2.809 3.616 1.00 0.00 N +ATOM 185 CA PRO A 12 6.424 -2.779 3.578 1.00 0.00 C +ATOM 186 C PRO A 12 7.069 -4.028 2.960 1.00 0.00 C +ATOM 187 O PRO A 12 8.189 -3.932 2.461 1.00 0.00 O +ATOM 188 CB PRO A 12 6.890 -2.607 5.031 1.00 0.00 C +ATOM 189 CG PRO A 12 5.663 -2.077 5.767 1.00 0.00 C +ATOM 190 CD PRO A 12 4.496 -2.685 4.991 1.00 0.00 C +ATOM 191 HA PRO A 12 6.736 -1.908 3.002 1.00 0.00 H +ATOM 192 HB2 PRO A 12 7.202 -3.547 5.443 1.00 0.00 H +ATOM 193 HB3 PRO A 12 7.726 -1.910 5.099 1.00 0.00 H +ATOM 194 HG2 PRO A 12 5.657 -2.404 6.789 1.00 0.00 H +ATOM 195 HG3 PRO A 12 5.630 -0.990 5.687 1.00 0.00 H +ATOM 196 HD2 PRO A 12 4.243 -3.649 5.389 1.00 0.00 H +ATOM 197 HD3 PRO A 12 3.623 -2.038 5.075 1.00 0.00 H +ATOM 198 N SER A 13 6.387 -5.186 2.959 1.00 0.00 N +ATOM 199 CA SER A 13 6.949 -6.443 2.439 1.00 0.00 C +ATOM 200 C SER A 13 7.314 -6.364 0.949 1.00 0.00 C +ATOM 201 O SER A 13 8.295 -6.974 0.530 1.00 0.00 O +ATOM 202 CB SER A 13 6.004 -7.621 2.705 1.00 0.00 C +ATOM 203 OG SER A 13 4.930 -7.624 1.798 1.00 0.00 O +ATOM 204 H SER A 13 5.432 -5.191 3.307 1.00 0.00 H +ATOM 205 HA SER A 13 7.871 -6.641 2.985 1.00 0.00 H +ATOM 206 HB2 SER A 13 6.551 -8.539 2.604 1.00 0.00 H +ATOM 207 HB3 SER A 13 5.606 -7.556 3.718 1.00 0.00 H +ATOM 208 HG SER A 13 4.348 -6.883 2.036 1.00 0.00 H +ATOM 209 N SER A 14 6.579 -5.561 0.169 1.00 0.00 N +ATOM 210 CA SER A 14 6.820 -5.327 -1.256 1.00 0.00 C +ATOM 211 C SER A 14 7.922 -4.294 -1.522 1.00 0.00 C +ATOM 212 O SER A 14 8.242 -4.017 -2.677 1.00 0.00 O +ATOM 213 CB SER A 14 5.537 -4.831 -1.928 1.00 0.00 C +ATOM 214 OG SER A 14 4.441 -5.626 -1.548 1.00 0.00 O +ATOM 215 H SER A 14 5.746 -5.132 0.560 1.00 0.00 H +ATOM 216 HA SER A 14 7.104 -6.271 -1.725 1.00 0.00 H +ATOM 217 HB2 SER A 14 5.355 -3.815 -1.634 1.00 0.00 H +ATOM 218 HB3 SER A 14 5.656 -4.884 -3.011 1.00 0.00 H +ATOM 219 HG SER A 14 3.881 -5.799 -2.406 1.00 0.00 H +ATOM 220 N GLY A 15 8.461 -3.653 -0.477 1.00 0.00 N +ATOM 221 CA GLY A 15 9.520 -2.646 -0.549 1.00 0.00 C +ATOM 222 C GLY A 15 9.063 -1.246 -0.987 1.00 0.00 C +ATOM 223 O GLY A 15 9.688 -0.260 -0.601 1.00 0.00 O +ATOM 224 H GLY A 15 8.144 -3.918 0.453 1.00 0.00 H +ATOM 225 HA2 GLY A 15 9.982 -2.562 0.434 1.00 0.00 H +ATOM 226 HA3 GLY A 15 10.282 -2.988 -1.252 1.00 0.00 H +ATOM 227 N ARG A 16 7.983 -1.136 -1.775 1.00 0.00 N +ATOM 228 CA ARG A 16 7.407 0.144 -2.217 1.00 0.00 C +ATOM 229 C ARG A 16 6.873 0.959 -1.017 1.00 0.00 C +ATOM 230 O ARG A 16 6.188 0.381 -0.171 1.00 0.00 O +ATOM 231 CB ARG A 16 6.295 -0.134 -3.247 1.00 0.00 C +ATOM 232 CG ARG A 16 5.773 1.159 -3.895 1.00 0.00 C +ATOM 233 CD ARG A 16 4.638 0.926 -4.896 1.00 0.00 C +ATOM 234 NE ARG A 16 5.119 0.301 -6.142 1.00 0.00 N +ATOM 235 CZ ARG A 16 4.470 0.248 -7.298 1.00 0.00 C +ATOM 236 NH1 ARG A 16 3.270 0.763 -7.440 1.00 0.00 N +ATOM 237 NH2 ARG A 16 5.020 -0.326 -8.342 1.00 0.00 N +ATOM 238 H ARG A 16 7.569 -2.007 -2.081 1.00 0.00 H +ATOM 239 HA ARG A 16 8.207 0.703 -2.701 1.00 0.00 H +ATOM 240 HB2 ARG A 16 6.686 -0.773 -4.015 1.00 0.00 H +ATOM 241 HB3 ARG A 16 5.468 -0.652 -2.755 1.00 0.00 H +ATOM 242 HG2 ARG A 16 5.414 1.807 -3.119 1.00 0.00 H +ATOM 243 HG3 ARG A 16 6.591 1.664 -4.410 1.00 0.00 H +ATOM 244 HD2 ARG A 16 3.906 0.283 -4.446 1.00 0.00 H +ATOM 245 HD3 ARG A 16 4.201 1.899 -5.127 1.00 0.00 H +ATOM 246 HE ARG A 16 6.032 -0.122 -6.114 1.00 0.00 H +ATOM 247 HH11 ARG A 16 2.845 1.192 -6.637 1.00 0.00 H +ATOM 248 HH12 ARG A 16 2.779 0.716 -8.314 1.00 0.00 H +ATOM 249 HH21 ARG A 16 5.933 -0.740 -8.273 1.00 0.00 H +ATOM 250 HH22 ARG A 16 4.520 -0.368 -9.211 1.00 0.00 H +ATOM 251 N PRO A 17 7.105 2.288 -0.945 1.00 0.00 N +ATOM 252 CA PRO A 17 6.592 3.134 0.139 1.00 0.00 C +ATOM 253 C PRO A 17 5.058 3.310 0.093 1.00 0.00 C +ATOM 254 O PRO A 17 4.451 3.102 -0.962 1.00 0.00 O +ATOM 255 CB PRO A 17 7.309 4.480 -0.034 1.00 0.00 C +ATOM 256 CG PRO A 17 7.588 4.545 -1.531 1.00 0.00 C +ATOM 257 CD PRO A 17 7.889 3.089 -1.878 1.00 0.00 C +ATOM 258 HA PRO A 17 6.871 2.694 1.095 1.00 0.00 H +ATOM 259 HB2 PRO A 17 6.679 5.292 0.274 1.00 0.00 H +ATOM 260 HB3 PRO A 17 8.253 4.460 0.511 1.00 0.00 H +ATOM 261 HG2 PRO A 17 6.731 4.902 -2.069 1.00 0.00 H +ATOM 262 HG3 PRO A 17 8.431 5.198 -1.763 1.00 0.00 H +ATOM 263 HD2 PRO A 17 7.597 2.878 -2.889 1.00 0.00 H +ATOM 264 HD3 PRO A 17 8.949 2.883 -1.728 1.00 0.00 H +ATOM 265 N PRO A 18 4.425 3.724 1.211 1.00 0.00 N +ATOM 266 CA PRO A 18 2.983 3.945 1.275 1.00 0.00 C +ATOM 267 C PRO A 18 2.554 5.198 0.492 1.00 0.00 C +ATOM 268 O PRO A 18 3.293 6.183 0.449 1.00 0.00 O +ATOM 269 CB PRO A 18 2.654 4.089 2.764 1.00 0.00 C +ATOM 270 CG PRO A 18 3.948 4.624 3.370 1.00 0.00 C +ATOM 271 CD PRO A 18 5.036 3.983 2.507 1.00 0.00 C +ATOM 272 HA PRO A 18 2.476 3.068 0.878 1.00 0.00 H +ATOM 273 HB2 PRO A 18 1.847 4.781 2.913 1.00 0.00 H +ATOM 274 HB3 PRO A 18 2.438 3.109 3.186 1.00 0.00 H +ATOM 275 HG2 PRO A 18 3.988 5.694 3.306 1.00 0.00 H +ATOM 276 HG3 PRO A 18 4.049 4.343 4.419 1.00 0.00 H +ATOM 277 HD2 PRO A 18 5.868 4.652 2.399 1.00 0.00 H +ATOM 278 HD3 PRO A 18 5.351 3.039 2.955 1.00 0.00 H +ATOM 279 N PRO A 19 1.342 5.203 -0.093 1.00 0.00 N +ATOM 280 CA PRO A 19 0.805 6.357 -0.803 1.00 0.00 C +ATOM 281 C PRO A 19 0.320 7.423 0.190 1.00 0.00 C +ATOM 282 O PRO A 19 -0.257 7.100 1.229 1.00 0.00 O +ATOM 283 CB PRO A 19 -0.339 5.795 -1.648 1.00 0.00 C +ATOM 284 CG PRO A 19 -0.864 4.631 -0.807 1.00 0.00 C +ATOM 285 CD PRO A 19 0.380 4.112 -0.089 1.00 0.00 C +ATOM 286 HA PRO A 19 1.566 6.787 -1.457 1.00 0.00 H +ATOM 287 HB2 PRO A 19 -1.102 6.533 -1.800 1.00 0.00 H +ATOM 288 HB3 PRO A 19 0.063 5.409 -2.586 1.00 0.00 H +ATOM 289 HG2 PRO A 19 -1.599 4.969 -0.102 1.00 0.00 H +ATOM 290 HG3 PRO A 19 -1.304 3.856 -1.430 1.00 0.00 H +ATOM 291 HD2 PRO A 19 0.138 3.834 0.919 1.00 0.00 H +ATOM 292 HD3 PRO A 19 0.800 3.273 -0.642 1.00 0.00 H +ATOM 293 N SER A 20 0.540 8.696 -0.154 1.00 0.00 N +ATOM 294 CA SER A 20 0.107 9.883 0.597 1.00 0.00 C +ATOM 295 C SER A 20 -0.517 10.892 -0.359 1.00 0.00 C +ATOM 296 O SER A 20 0.173 11.221 -1.351 1.00 0.00 O +ATOM 297 CB SER A 20 1.287 10.518 1.338 1.00 0.00 C +ATOM 298 OG SER A 20 1.823 9.586 2.254 1.00 0.00 O +ATOM 299 OXT SER A 20 -1.676 11.275 -0.100 1.00 0.00 O +ATOM 300 H SER A 20 0.976 8.906 -1.042 1.00 0.00 H +ATOM 301 HA SER A 20 -0.660 9.612 1.323 1.00 0.00 H +ATOM 302 HB2 SER A 20 2.043 10.801 0.631 1.00 0.00 H +ATOM 303 HB3 SER A 20 0.947 11.404 1.878 1.00 0.00 H +ATOM 304 HG SER A 20 1.894 8.744 1.792 1.00 0.00 H +TER 305 SER A 20 +ENDMDL +MODEL 12 +ATOM 1 N ASN A 1 -4.775 8.349 0.978 1.00 0.00 N +ATOM 2 CA ASN A 1 -5.666 7.501 0.145 1.00 0.00 C +ATOM 3 C ASN A 1 -4.883 6.315 -0.422 1.00 0.00 C +ATOM 4 O ASN A 1 -3.710 6.189 -0.099 1.00 0.00 O +ATOM 5 CB ASN A 1 -6.368 8.312 -0.963 1.00 0.00 C +ATOM 6 CG ASN A 1 -7.731 7.695 -1.245 1.00 0.00 C +ATOM 7 OD1 ASN A 1 -8.561 7.621 -0.357 1.00 0.00 O +ATOM 8 ND2 ASN A 1 -7.984 7.161 -2.427 1.00 0.00 N +ATOM 9 H1 ASN A 1 -4.291 7.782 1.665 1.00 0.00 H +ATOM 10 H2 ASN A 1 -4.059 8.774 0.407 1.00 0.00 H +ATOM 11 H3 ASN A 1 -5.305 9.067 1.452 1.00 0.00 H +ATOM 12 HA ASN A 1 -6.445 7.096 0.797 1.00 0.00 H +ATOM 13 HB2 ASN A 1 -6.493 9.328 -0.640 1.00 0.00 H +ATOM 14 HB3 ASN A 1 -5.758 8.337 -1.869 1.00 0.00 H +ATOM 15 HD21 ASN A 1 -7.370 7.224 -3.224 1.00 0.00 H +ATOM 16 HD22 ASN A 1 -8.930 6.818 -2.517 1.00 0.00 H +ATOM 17 N LEU A 2 -5.505 5.439 -1.230 1.00 0.00 N +ATOM 18 CA LEU A 2 -4.870 4.301 -1.933 1.00 0.00 C +ATOM 19 C LEU A 2 -4.253 3.217 -1.013 1.00 0.00 C +ATOM 20 O LEU A 2 -3.725 2.212 -1.488 1.00 0.00 O +ATOM 21 CB LEU A 2 -3.879 4.858 -2.987 1.00 0.00 C +ATOM 22 CG LEU A 2 -3.862 4.103 -4.338 1.00 0.00 C +ATOM 23 CD1 LEU A 2 -3.942 5.102 -5.500 1.00 0.00 C +ATOM 24 CD2 LEU A 2 -2.594 3.266 -4.529 1.00 0.00 C +ATOM 25 H LEU A 2 -6.484 5.595 -1.443 1.00 0.00 H +ATOM 26 HA LEU A 2 -5.671 3.797 -2.474 1.00 0.00 H +ATOM 27 HB2 LEU A 2 -4.141 5.880 -3.181 1.00 0.00 H +ATOM 28 HB3 LEU A 2 -2.875 4.881 -2.566 1.00 0.00 H +ATOM 29 HG LEU A 2 -4.728 3.445 -4.407 1.00 0.00 H +ATOM 30 HD11 LEU A 2 -4.863 5.680 -5.430 1.00 0.00 H +ATOM 31 HD12 LEU A 2 -3.088 5.780 -5.472 1.00 0.00 H +ATOM 32 HD13 LEU A 2 -3.942 4.567 -6.450 1.00 0.00 H +ATOM 33 HD21 LEU A 2 -1.714 3.909 -4.532 1.00 0.00 H +ATOM 34 HD22 LEU A 2 -2.501 2.537 -3.726 1.00 0.00 H +ATOM 35 HD23 LEU A 2 -2.650 2.733 -5.479 1.00 0.00 H +ATOM 36 N TYR A 3 -4.358 3.387 0.311 1.00 0.00 N +ATOM 37 CA TYR A 3 -3.724 2.561 1.334 1.00 0.00 C +ATOM 38 C TYR A 3 -4.131 1.084 1.243 1.00 0.00 C +ATOM 39 O TYR A 3 -3.272 0.213 1.349 1.00 0.00 O +ATOM 40 CB TYR A 3 -4.034 3.171 2.713 1.00 0.00 C +ATOM 41 CG TYR A 3 -3.135 2.703 3.842 1.00 0.00 C +ATOM 42 CD1 TYR A 3 -1.737 2.851 3.727 1.00 0.00 C +ATOM 43 CD2 TYR A 3 -3.685 2.171 5.024 1.00 0.00 C +ATOM 44 CE1 TYR A 3 -0.891 2.412 4.759 1.00 0.00 C +ATOM 45 CE2 TYR A 3 -2.842 1.741 6.067 1.00 0.00 C +ATOM 46 CZ TYR A 3 -1.438 1.829 5.920 1.00 0.00 C +ATOM 47 OH TYR A 3 -0.611 1.332 6.879 1.00 0.00 O +ATOM 48 H TYR A 3 -4.748 4.266 0.609 1.00 0.00 H +ATOM 49 HA TYR A 3 -2.648 2.608 1.169 1.00 0.00 H +ATOM 50 HB2 TYR A 3 -3.940 4.237 2.633 1.00 0.00 H +ATOM 51 HB3 TYR A 3 -5.076 2.964 2.965 1.00 0.00 H +ATOM 52 HD1 TYR A 3 -1.301 3.304 2.848 1.00 0.00 H +ATOM 53 HD2 TYR A 3 -4.757 2.089 5.139 1.00 0.00 H +ATOM 54 HE1 TYR A 3 0.181 2.515 4.674 1.00 0.00 H +ATOM 55 HE2 TYR A 3 -3.268 1.331 6.971 1.00 0.00 H +ATOM 56 HH TYR A 3 -1.077 0.804 7.527 1.00 0.00 H +ATOM 57 N ILE A 4 -5.411 0.798 0.958 1.00 0.00 N +ATOM 58 CA ILE A 4 -5.929 -0.561 0.735 1.00 0.00 C +ATOM 59 C ILE A 4 -5.151 -1.265 -0.392 1.00 0.00 C +ATOM 60 O ILE A 4 -4.770 -2.424 -0.234 1.00 0.00 O +ATOM 61 CB ILE A 4 -7.448 -0.558 0.412 1.00 0.00 C +ATOM 62 CG1 ILE A 4 -8.318 0.310 1.355 1.00 0.00 C +ATOM 63 CG2 ILE A 4 -8.010 -2.000 0.433 1.00 0.00 C +ATOM 64 CD1 ILE A 4 -8.502 1.763 0.894 1.00 0.00 C +ATOM 65 H ILE A 4 -6.043 1.576 0.880 1.00 0.00 H +ATOM 66 HA ILE A 4 -5.774 -1.132 1.651 1.00 0.00 H +ATOM 67 HB ILE A 4 -7.573 -0.182 -0.605 1.00 0.00 H +ATOM 68 HG12 ILE A 4 -9.288 -0.144 1.429 1.00 0.00 H +ATOM 69 HG13 ILE A 4 -7.900 0.296 2.364 1.00 0.00 H +ATOM 70 HG21 ILE A 4 -7.241 -2.738 0.216 1.00 0.00 H +ATOM 71 HG22 ILE A 4 -8.427 -2.236 1.414 1.00 0.00 H +ATOM 72 HG23 ILE A 4 -8.799 -2.084 -0.315 1.00 0.00 H +ATOM 73 HD11 ILE A 4 -7.575 2.327 0.979 1.00 0.00 H +ATOM 74 HD12 ILE A 4 -8.846 1.782 -0.141 1.00 0.00 H +ATOM 75 HD13 ILE A 4 -9.256 2.242 1.519 1.00 0.00 H +ATOM 76 N GLN A 5 -4.901 -0.573 -1.513 1.00 0.00 N +ATOM 77 CA GLN A 5 -4.125 -1.106 -2.634 1.00 0.00 C +ATOM 78 C GLN A 5 -2.693 -1.437 -2.204 1.00 0.00 C +ATOM 79 O GLN A 5 -2.251 -2.565 -2.402 1.00 0.00 O +ATOM 80 CB GLN A 5 -4.128 -0.128 -3.830 1.00 0.00 C +ATOM 81 CG GLN A 5 -5.010 -0.590 -5.001 1.00 0.00 C +ATOM 82 CD GLN A 5 -4.334 -0.299 -6.339 1.00 0.00 C +ATOM 83 OE1 GLN A 5 -4.559 0.724 -6.965 1.00 0.00 O +ATOM 84 NE2 GLN A 5 -3.468 -1.181 -6.803 1.00 0.00 N +ATOM 85 H GLN A 5 -5.142 0.409 -1.535 1.00 0.00 H +ATOM 86 HA GLN A 5 -4.578 -2.049 -2.940 1.00 0.00 H +ATOM 87 HB2 GLN A 5 -4.488 0.824 -3.489 1.00 0.00 H +ATOM 88 HB3 GLN A 5 -3.103 -0.020 -4.191 1.00 0.00 H +ATOM 89 HG2 GLN A 5 -5.182 -1.646 -4.916 1.00 0.00 H +ATOM 90 HG3 GLN A 5 -5.966 -0.069 -4.961 1.00 0.00 H +ATOM 91 HE21 GLN A 5 -3.220 -2.017 -6.300 1.00 0.00 H +ATOM 92 HE22 GLN A 5 -3.046 -0.932 -7.681 1.00 0.00 H +ATOM 93 N TRP A 6 -1.990 -0.483 -1.580 1.00 0.00 N +ATOM 94 CA TRP A 6 -0.617 -0.690 -1.102 1.00 0.00 C +ATOM 95 C TRP A 6 -0.505 -1.806 -0.047 1.00 0.00 C +ATOM 96 O TRP A 6 0.434 -2.605 -0.072 1.00 0.00 O +ATOM 97 CB TRP A 6 -0.075 0.634 -0.556 1.00 0.00 C +ATOM 98 CG TRP A 6 1.309 0.540 0.003 1.00 0.00 C +ATOM 99 CD1 TRP A 6 2.446 0.522 -0.728 1.00 0.00 C +ATOM 100 CD2 TRP A 6 1.725 0.405 1.396 1.00 0.00 C +ATOM 101 NE1 TRP A 6 3.531 0.366 0.112 1.00 0.00 N +ATOM 102 CE2 TRP A 6 3.148 0.312 1.431 1.00 0.00 C +ATOM 103 CE3 TRP A 6 1.050 0.354 2.636 1.00 0.00 C +ATOM 104 CZ2 TRP A 6 3.871 0.207 2.626 1.00 0.00 C +ATOM 105 CZ3 TRP A 6 1.766 0.241 3.845 1.00 0.00 C +ATOM 106 CH2 TRP A 6 3.172 0.180 3.843 1.00 0.00 C +ATOM 107 H TRP A 6 -2.436 0.418 -1.445 1.00 0.00 H +ATOM 108 HA TRP A 6 0.001 -0.996 -1.948 1.00 0.00 H +ATOM 109 HB2 TRP A 6 -0.069 1.351 -1.354 1.00 0.00 H +ATOM 110 HB3 TRP A 6 -0.741 0.996 0.231 1.00 0.00 H +ATOM 111 HD1 TRP A 6 2.490 0.606 -1.806 1.00 0.00 H +ATOM 112 HE1 TRP A 6 4.506 0.317 -0.195 1.00 0.00 H +ATOM 113 HE3 TRP A 6 -0.028 0.413 2.652 1.00 0.00 H +ATOM 114 HZ2 TRP A 6 4.948 0.144 2.596 1.00 0.00 H +ATOM 115 HZ3 TRP A 6 1.233 0.211 4.786 1.00 0.00 H +ATOM 116 HH2 TRP A 6 3.712 0.109 4.775 1.00 0.00 H +ATOM 117 N LEU A 7 -1.478 -1.903 0.868 1.00 0.00 N +ATOM 118 CA LEU A 7 -1.565 -3.023 1.803 1.00 0.00 C +ATOM 119 C LEU A 7 -1.788 -4.359 1.077 1.00 0.00 C +ATOM 120 O LEU A 7 -1.184 -5.351 1.478 1.00 0.00 O +ATOM 121 CB LEU A 7 -2.659 -2.772 2.854 1.00 0.00 C +ATOM 122 CG LEU A 7 -2.323 -1.690 3.899 1.00 0.00 C +ATOM 123 CD1 LEU A 7 -3.521 -1.550 4.842 1.00 0.00 C +ATOM 124 CD2 LEU A 7 -1.085 -2.027 4.739 1.00 0.00 C +ATOM 125 H LEU A 7 -2.200 -1.184 0.892 1.00 0.00 H +ATOM 126 HA LEU A 7 -0.606 -3.120 2.310 1.00 0.00 H +ATOM 127 HB2 LEU A 7 -3.552 -2.472 2.340 1.00 0.00 H +ATOM 128 HB3 LEU A 7 -2.840 -3.707 3.385 1.00 0.00 H +ATOM 129 HG LEU A 7 -2.150 -0.733 3.410 1.00 0.00 H +ATOM 130 HD11 LEU A 7 -4.397 -1.228 4.278 1.00 0.00 H +ATOM 131 HD12 LEU A 7 -3.729 -2.502 5.330 1.00 0.00 H +ATOM 132 HD13 LEU A 7 -3.305 -0.807 5.605 1.00 0.00 H +ATOM 133 HD21 LEU A 7 -1.199 -3.007 5.202 1.00 0.00 H +ATOM 134 HD22 LEU A 7 -0.194 -2.019 4.114 1.00 0.00 H +ATOM 135 HD23 LEU A 7 -0.952 -1.273 5.515 1.00 0.00 H +ATOM 136 N LYS A 8 -2.578 -4.390 -0.010 1.00 0.00 N +ATOM 137 CA LYS A 8 -2.803 -5.590 -0.835 1.00 0.00 C +ATOM 138 C LYS A 8 -1.523 -6.177 -1.436 1.00 0.00 C +ATOM 139 O LYS A 8 -1.444 -7.395 -1.565 1.00 0.00 O +ATOM 140 CB LYS A 8 -3.841 -5.306 -1.943 1.00 0.00 C +ATOM 141 CG LYS A 8 -5.102 -6.183 -1.820 1.00 0.00 C +ATOM 142 CD LYS A 8 -6.388 -5.360 -1.964 1.00 0.00 C +ATOM 143 CE LYS A 8 -7.575 -6.172 -1.439 1.00 0.00 C +ATOM 144 NZ LYS A 8 -8.803 -5.348 -1.365 1.00 0.00 N +ATOM 145 H LYS A 8 -3.058 -3.531 -0.269 1.00 0.00 H +ATOM 146 HA LYS A 8 -3.176 -6.367 -0.170 1.00 0.00 H +ATOM 147 HB2 LYS A 8 -4.133 -4.275 -1.883 1.00 0.00 H +ATOM 148 HB3 LYS A 8 -3.394 -5.473 -2.925 1.00 0.00 H +ATOM 149 HG2 LYS A 8 -5.081 -6.931 -2.589 1.00 0.00 H +ATOM 150 HG3 LYS A 8 -5.122 -6.674 -0.847 1.00 0.00 H +ATOM 151 HD2 LYS A 8 -6.297 -4.453 -1.399 1.00 0.00 H +ATOM 152 HD3 LYS A 8 -6.539 -5.092 -3.010 1.00 0.00 H +ATOM 153 HE2 LYS A 8 -7.750 -7.001 -2.098 1.00 0.00 H +ATOM 154 HE3 LYS A 8 -7.320 -6.540 -0.441 1.00 0.00 H +ATOM 155 HZ1 LYS A 8 -8.641 -4.541 -0.776 1.00 0.00 H +ATOM 156 HZ2 LYS A 8 -9.066 -5.030 -2.289 1.00 0.00 H +ATOM 157 HZ3 LYS A 8 -9.564 -5.888 -0.973 1.00 0.00 H +ATOM 158 N ASP A 9 -0.517 -5.351 -1.751 1.00 0.00 N +ATOM 159 CA ASP A 9 0.810 -5.841 -2.151 1.00 0.00 C +ATOM 160 C ASP A 9 1.554 -6.575 -1.011 1.00 0.00 C +ATOM 161 O ASP A 9 2.438 -7.380 -1.298 1.00 0.00 O +ATOM 162 CB ASP A 9 1.696 -4.676 -2.632 1.00 0.00 C +ATOM 163 CG ASP A 9 1.245 -3.986 -3.921 1.00 0.00 C +ATOM 164 OD1 ASP A 9 1.597 -4.502 -5.006 1.00 0.00 O +ATOM 165 OD2 ASP A 9 0.666 -2.883 -3.811 1.00 0.00 O +ATOM 166 H ASP A 9 -0.685 -4.351 -1.702 1.00 0.00 H +ATOM 167 HA ASP A 9 0.696 -6.548 -2.974 1.00 0.00 H +ATOM 168 HB2 ASP A 9 1.720 -3.937 -1.854 1.00 0.00 H +ATOM 169 HB3 ASP A 9 2.698 -5.068 -2.815 1.00 0.00 H +ATOM 170 N GLY A 10 1.225 -6.295 0.263 1.00 0.00 N +ATOM 171 CA GLY A 10 1.982 -6.737 1.446 1.00 0.00 C +ATOM 172 C GLY A 10 2.507 -5.606 2.352 1.00 0.00 C +ATOM 173 O GLY A 10 3.317 -5.867 3.245 1.00 0.00 O +ATOM 174 H GLY A 10 0.375 -5.762 0.424 1.00 0.00 H +ATOM 175 HA2 GLY A 10 1.336 -7.376 2.049 1.00 0.00 H +ATOM 176 HA3 GLY A 10 2.840 -7.334 1.133 1.00 0.00 H +ATOM 177 N GLY A 11 2.078 -4.353 2.136 1.00 0.00 N +ATOM 178 CA GLY A 11 2.489 -3.194 2.933 1.00 0.00 C +ATOM 179 C GLY A 11 4.018 -3.015 3.017 1.00 0.00 C +ATOM 180 O GLY A 11 4.676 -2.975 1.975 1.00 0.00 O +ATOM 181 H GLY A 11 1.434 -4.188 1.373 1.00 0.00 H +ATOM 182 HA2 GLY A 11 2.070 -2.296 2.478 1.00 0.00 H +ATOM 183 HA3 GLY A 11 2.056 -3.301 3.926 1.00 0.00 H +ATOM 184 N PRO A 12 4.624 -2.897 4.222 1.00 0.00 N +ATOM 185 CA PRO A 12 6.074 -2.717 4.372 1.00 0.00 C +ATOM 186 C PRO A 12 6.928 -3.824 3.735 1.00 0.00 C +ATOM 187 O PRO A 12 8.086 -3.582 3.404 1.00 0.00 O +ATOM 188 CB PRO A 12 6.342 -2.659 5.880 1.00 0.00 C +ATOM 189 CG PRO A 12 4.997 -2.271 6.487 1.00 0.00 C +ATOM 190 CD PRO A 12 3.985 -2.895 5.530 1.00 0.00 C +ATOM 191 HA PRO A 12 6.352 -1.763 3.924 1.00 0.00 H +ATOM 192 HB2 PRO A 12 6.663 -3.615 6.246 1.00 0.00 H +ATOM 193 HB3 PRO A 12 7.115 -1.929 6.121 1.00 0.00 H +ATOM 194 HG2 PRO A 12 4.891 -2.675 7.475 1.00 0.00 H +ATOM 195 HG3 PRO A 12 4.893 -1.186 6.477 1.00 0.00 H +ATOM 196 HD2 PRO A 12 3.753 -3.898 5.834 1.00 0.00 H +ATOM 197 HD3 PRO A 12 3.065 -2.308 5.536 1.00 0.00 H +ATOM 198 N SER A 13 6.371 -5.030 3.550 1.00 0.00 N +ATOM 199 CA SER A 13 7.084 -6.170 2.958 1.00 0.00 C +ATOM 200 C SER A 13 7.083 -6.156 1.418 1.00 0.00 C +ATOM 201 O SER A 13 7.625 -7.072 0.804 1.00 0.00 O +ATOM 202 CB SER A 13 6.515 -7.484 3.508 1.00 0.00 C +ATOM 203 OG SER A 13 6.707 -7.539 4.910 1.00 0.00 O +ATOM 204 H SER A 13 5.380 -5.139 3.743 1.00 0.00 H +ATOM 205 HA SER A 13 8.130 -6.125 3.264 1.00 0.00 H +ATOM 206 HB2 SER A 13 5.466 -7.537 3.290 1.00 0.00 H +ATOM 207 HB3 SER A 13 7.033 -8.329 3.054 1.00 0.00 H +ATOM 208 HG SER A 13 6.297 -6.766 5.305 1.00 0.00 H +ATOM 209 N SER A 14 6.505 -5.124 0.784 1.00 0.00 N +ATOM 210 CA SER A 14 6.326 -5.021 -0.674 1.00 0.00 C +ATOM 211 C SER A 14 7.445 -4.276 -1.413 1.00 0.00 C +ATOM 212 O SER A 14 7.363 -4.116 -2.632 1.00 0.00 O +ATOM 213 CB SER A 14 5.029 -4.263 -0.971 1.00 0.00 C +ATOM 214 OG SER A 14 3.953 -4.822 -0.267 1.00 0.00 O +ATOM 215 H SER A 14 6.012 -4.435 1.345 1.00 0.00 H +ATOM 216 HA SER A 14 6.241 -6.022 -1.098 1.00 0.00 H +ATOM 217 HB2 SER A 14 5.146 -3.237 -0.678 1.00 0.00 H +ATOM 218 HB3 SER A 14 4.818 -4.312 -2.040 1.00 0.00 H +ATOM 219 HG SER A 14 3.220 -4.203 -0.295 1.00 0.00 H +ATOM 220 N GLY A 15 8.438 -3.724 -0.707 1.00 0.00 N +ATOM 221 CA GLY A 15 9.507 -2.889 -1.274 1.00 0.00 C +ATOM 222 C GLY A 15 9.063 -1.480 -1.708 1.00 0.00 C +ATOM 223 O GLY A 15 9.798 -0.518 -1.489 1.00 0.00 O +ATOM 224 H GLY A 15 8.430 -3.884 0.291 1.00 0.00 H +ATOM 225 HA2 GLY A 15 10.304 -2.784 -0.538 1.00 0.00 H +ATOM 226 HA3 GLY A 15 9.927 -3.393 -2.147 1.00 0.00 H +ATOM 227 N ARG A 16 7.872 -1.340 -2.309 1.00 0.00 N +ATOM 228 CA ARG A 16 7.271 -0.051 -2.694 1.00 0.00 C +ATOM 229 C ARG A 16 6.858 0.790 -1.462 1.00 0.00 C +ATOM 230 O ARG A 16 6.260 0.241 -0.533 1.00 0.00 O +ATOM 231 CB ARG A 16 6.089 -0.273 -3.662 1.00 0.00 C +ATOM 232 CG ARG A 16 4.953 -1.164 -3.120 1.00 0.00 C +ATOM 233 CD ARG A 16 3.733 -1.249 -4.050 1.00 0.00 C +ATOM 234 NE ARG A 16 4.008 -2.020 -5.278 1.00 0.00 N +ATOM 235 CZ ARG A 16 4.304 -1.553 -6.487 1.00 0.00 C +ATOM 236 NH1 ARG A 16 4.332 -0.266 -6.751 1.00 0.00 N +ATOM 237 NH2 ARG A 16 4.584 -2.382 -7.463 1.00 0.00 N +ATOM 238 H ARG A 16 7.380 -2.207 -2.502 1.00 0.00 H +ATOM 239 HA ARG A 16 8.042 0.496 -3.233 1.00 0.00 H +ATOM 240 HB2 ARG A 16 5.672 0.686 -3.902 1.00 0.00 H +ATOM 241 HB3 ARG A 16 6.479 -0.726 -4.575 1.00 0.00 H +ATOM 242 HG2 ARG A 16 5.339 -2.155 -2.977 1.00 0.00 H +ATOM 243 HG3 ARG A 16 4.607 -0.763 -2.173 1.00 0.00 H +ATOM 244 HD2 ARG A 16 2.929 -1.722 -3.520 1.00 0.00 H +ATOM 245 HD3 ARG A 16 3.380 -0.245 -4.284 1.00 0.00 H +ATOM 246 HE ARG A 16 3.860 -3.017 -5.208 1.00 0.00 H +ATOM 247 HH11 ARG A 16 4.070 0.367 -6.019 1.00 0.00 H +ATOM 248 HH12 ARG A 16 4.528 0.072 -7.675 1.00 0.00 H +ATOM 249 HH21 ARG A 16 4.555 -3.374 -7.290 1.00 0.00 H +ATOM 250 HH22 ARG A 16 4.810 -2.036 -8.376 1.00 0.00 H +ATOM 251 N PRO A 17 7.111 2.116 -1.447 1.00 0.00 N +ATOM 252 CA PRO A 17 6.730 2.992 -0.332 1.00 0.00 C +ATOM 253 C PRO A 17 5.203 3.215 -0.255 1.00 0.00 C +ATOM 254 O PRO A 17 4.512 3.033 -1.262 1.00 0.00 O +ATOM 255 CB PRO A 17 7.472 4.309 -0.592 1.00 0.00 C +ATOM 256 CG PRO A 17 7.586 4.354 -2.114 1.00 0.00 C +ATOM 257 CD PRO A 17 7.780 2.885 -2.487 1.00 0.00 C +ATOM 258 HA PRO A 17 7.081 2.557 0.604 1.00 0.00 H +ATOM 259 HB2 PRO A 17 6.910 5.146 -0.224 1.00 0.00 H +ATOM 260 HB3 PRO A 17 8.471 4.256 -0.155 1.00 0.00 H +ATOM 261 HG2 PRO A 17 6.692 4.750 -2.556 1.00 0.00 H +ATOM 262 HG3 PRO A 17 8.426 4.969 -2.440 1.00 0.00 H +ATOM 263 HD2 PRO A 17 7.339 2.682 -3.444 1.00 0.00 H +ATOM 264 HD3 PRO A 17 8.845 2.645 -2.487 1.00 0.00 H +ATOM 265 N PRO A 18 4.666 3.621 0.914 1.00 0.00 N +ATOM 266 CA PRO A 18 3.235 3.860 1.094 1.00 0.00 C +ATOM 267 C PRO A 18 2.748 5.165 0.425 1.00 0.00 C +ATOM 268 O PRO A 18 3.529 6.100 0.248 1.00 0.00 O +ATOM 269 CB PRO A 18 3.024 3.899 2.612 1.00 0.00 C +ATOM 270 CG PRO A 18 4.361 4.406 3.146 1.00 0.00 C +ATOM 271 CD PRO A 18 5.372 3.796 2.177 1.00 0.00 C +ATOM 272 HA PRO A 18 2.688 3.015 0.682 1.00 0.00 H +ATOM 273 HB2 PRO A 18 2.228 4.570 2.871 1.00 0.00 H +ATOM 274 HB3 PRO A 18 2.846 2.890 2.983 1.00 0.00 H +ATOM 275 HG2 PRO A 18 4.404 5.478 3.124 1.00 0.00 H +ATOM 276 HG3 PRO A 18 4.538 4.078 4.171 1.00 0.00 H +ATOM 277 HD2 PRO A 18 6.209 4.455 2.048 1.00 0.00 H +ATOM 278 HD3 PRO A 18 5.693 2.821 2.549 1.00 0.00 H +ATOM 279 N PRO A 19 1.443 5.263 0.091 1.00 0.00 N +ATOM 280 CA PRO A 19 0.813 6.446 -0.514 1.00 0.00 C +ATOM 281 C PRO A 19 0.366 7.514 0.505 1.00 0.00 C +ATOM 282 O PRO A 19 -0.168 8.563 0.135 1.00 0.00 O +ATOM 283 CB PRO A 19 -0.418 5.883 -1.228 1.00 0.00 C +ATOM 284 CG PRO A 19 -0.852 4.754 -0.291 1.00 0.00 C +ATOM 285 CD PRO A 19 0.481 4.171 0.160 1.00 0.00 C +ATOM 286 HA PRO A 19 1.483 6.910 -1.240 1.00 0.00 H +ATOM 287 HB2 PRO A 19 -1.186 6.626 -1.322 1.00 0.00 H +ATOM 288 HB3 PRO A 19 -0.127 5.468 -2.194 1.00 0.00 H +ATOM 289 HG2 PRO A 19 -1.411 5.134 0.542 1.00 0.00 H +ATOM 290 HG3 PRO A 19 -1.463 4.012 -0.801 1.00 0.00 H +ATOM 291 HD2 PRO A 19 0.406 3.804 1.165 1.00 0.00 H +ATOM 292 HD3 PRO A 19 0.786 3.388 -0.533 1.00 0.00 H +ATOM 293 N SER A 20 0.475 7.235 1.804 1.00 0.00 N +ATOM 294 CA SER A 20 0.117 8.121 2.917 1.00 0.00 C +ATOM 295 C SER A 20 0.951 7.740 4.134 1.00 0.00 C +ATOM 296 O SER A 20 1.145 6.518 4.316 1.00 0.00 O +ATOM 297 CB SER A 20 -1.376 8.004 3.229 1.00 0.00 C +ATOM 298 OG SER A 20 -2.078 8.526 2.113 1.00 0.00 O +ATOM 299 OXT SER A 20 1.384 8.682 4.830 1.00 0.00 O +ATOM 300 H SER A 20 0.881 6.355 2.097 1.00 0.00 H +ATOM 301 HA SER A 20 0.361 9.155 2.677 1.00 0.00 H +ATOM 302 HB2 SER A 20 -1.640 6.975 3.382 1.00 0.00 H +ATOM 303 HB3 SER A 20 -1.610 8.576 4.131 1.00 0.00 H +ATOM 304 HG SER A 20 -1.383 8.683 1.436 1.00 0.00 H +TER 305 SER A 20 +ENDMDL +MODEL 13 +ATOM 1 N ASN A 1 -7.908 6.785 -1.311 1.00 0.00 N +ATOM 2 CA ASN A 1 -7.019 6.327 -0.216 1.00 0.00 C +ATOM 3 C ASN A 1 -5.683 5.747 -0.661 1.00 0.00 C +ATOM 4 O ASN A 1 -4.708 6.050 0.013 1.00 0.00 O +ATOM 5 CB ASN A 1 -7.728 5.352 0.732 1.00 0.00 C +ATOM 6 CG ASN A 1 -8.620 6.137 1.676 1.00 0.00 C +ATOM 7 OD1 ASN A 1 -9.560 6.770 1.223 1.00 0.00 O +ATOM 8 ND2 ASN A 1 -8.313 6.173 2.959 1.00 0.00 N +ATOM 9 H1 ASN A 1 -7.434 7.466 -1.890 1.00 0.00 H +ATOM 10 H2 ASN A 1 -8.205 6.004 -1.879 1.00 0.00 H +ATOM 11 H3 ASN A 1 -8.733 7.210 -0.902 1.00 0.00 H +ATOM 12 HA ASN A 1 -6.754 7.204 0.378 1.00 0.00 H +ATOM 13 HB2 ASN A 1 -8.324 4.666 0.162 1.00 0.00 H +ATOM 14 HB3 ASN A 1 -6.996 4.787 1.311 1.00 0.00 H +ATOM 15 HD21 ASN A 1 -7.513 5.701 3.351 1.00 0.00 H +ATOM 16 HD22 ASN A 1 -8.923 6.730 3.536 1.00 0.00 H +ATOM 17 N LEU A 2 -5.615 4.880 -1.688 1.00 0.00 N +ATOM 18 CA LEU A 2 -4.406 4.163 -2.156 1.00 0.00 C +ATOM 19 C LEU A 2 -3.837 3.130 -1.158 1.00 0.00 C +ATOM 20 O LEU A 2 -3.364 2.071 -1.568 1.00 0.00 O +ATOM 21 CB LEU A 2 -3.322 5.161 -2.622 1.00 0.00 C +ATOM 22 CG LEU A 2 -3.769 6.069 -3.790 1.00 0.00 C +ATOM 23 CD1 LEU A 2 -3.562 7.551 -3.463 1.00 0.00 C +ATOM 24 CD2 LEU A 2 -3.001 5.730 -5.068 1.00 0.00 C +ATOM 25 H LEU A 2 -6.452 4.624 -2.189 1.00 0.00 H +ATOM 26 HA LEU A 2 -4.692 3.585 -3.037 1.00 0.00 H +ATOM 27 HB2 LEU A 2 -3.057 5.785 -1.790 1.00 0.00 H +ATOM 28 HB3 LEU A 2 -2.440 4.595 -2.923 1.00 0.00 H +ATOM 29 HG LEU A 2 -4.830 5.921 -3.991 1.00 0.00 H +ATOM 30 HD11 LEU A 2 -4.099 7.813 -2.552 1.00 0.00 H +ATOM 31 HD12 LEU A 2 -2.502 7.762 -3.318 1.00 0.00 H +ATOM 32 HD13 LEU A 2 -3.938 8.167 -4.281 1.00 0.00 H +ATOM 33 HD21 LEU A 2 -1.934 5.911 -4.924 1.00 0.00 H +ATOM 34 HD22 LEU A 2 -3.157 4.681 -5.323 1.00 0.00 H +ATOM 35 HD23 LEU A 2 -3.359 6.350 -5.889 1.00 0.00 H +ATOM 36 N TYR A 3 -3.941 3.391 0.150 1.00 0.00 N +ATOM 37 CA TYR A 3 -3.446 2.538 1.230 1.00 0.00 C +ATOM 38 C TYR A 3 -4.000 1.103 1.182 1.00 0.00 C +ATOM 39 O TYR A 3 -3.277 0.167 1.508 1.00 0.00 O +ATOM 40 CB TYR A 3 -3.738 3.210 2.583 1.00 0.00 C +ATOM 41 CG TYR A 3 -2.672 2.927 3.623 1.00 0.00 C +ATOM 42 CD1 TYR A 3 -2.765 1.788 4.444 1.00 0.00 C +ATOM 43 CD2 TYR A 3 -1.567 3.795 3.740 1.00 0.00 C +ATOM 44 CE1 TYR A 3 -1.751 1.512 5.382 1.00 0.00 C +ATOM 45 CE2 TYR A 3 -0.550 3.520 4.672 1.00 0.00 C +ATOM 46 CZ TYR A 3 -0.641 2.375 5.495 1.00 0.00 C +ATOM 47 OH TYR A 3 0.344 2.091 6.389 1.00 0.00 O +ATOM 48 H TYR A 3 -4.221 4.340 0.385 1.00 0.00 H +ATOM 49 HA TYR A 3 -2.363 2.475 1.122 1.00 0.00 H +ATOM 50 HB2 TYR A 3 -3.797 4.271 2.433 1.00 0.00 H +ATOM 51 HB3 TYR A 3 -4.711 2.883 2.955 1.00 0.00 H +ATOM 52 HD1 TYR A 3 -3.607 1.120 4.349 1.00 0.00 H +ATOM 53 HD2 TYR A 3 -1.493 4.677 3.117 1.00 0.00 H +ATOM 54 HE1 TYR A 3 -1.801 0.643 6.018 1.00 0.00 H +ATOM 55 HE2 TYR A 3 0.291 4.191 4.755 1.00 0.00 H +ATOM 56 HH TYR A 3 1.086 2.690 6.302 1.00 0.00 H +ATOM 57 N ILE A 4 -5.249 0.909 0.731 1.00 0.00 N +ATOM 58 CA ILE A 4 -5.862 -0.418 0.547 1.00 0.00 C +ATOM 59 C ILE A 4 -5.108 -1.223 -0.524 1.00 0.00 C +ATOM 60 O ILE A 4 -4.705 -2.359 -0.275 1.00 0.00 O +ATOM 61 CB ILE A 4 -7.371 -0.307 0.207 1.00 0.00 C +ATOM 62 CG1 ILE A 4 -8.145 0.575 1.218 1.00 0.00 C +ATOM 63 CG2 ILE A 4 -8.018 -1.702 0.164 1.00 0.00 C +ATOM 64 CD1 ILE A 4 -8.506 1.935 0.617 1.00 0.00 C +ATOM 65 H ILE A 4 -5.779 1.731 0.489 1.00 0.00 H +ATOM 66 HA ILE A 4 -5.769 -0.964 1.487 1.00 0.00 H +ATOM 67 HB ILE A 4 -7.472 0.126 -0.790 1.00 0.00 H +ATOM 68 HG12 ILE A 4 -9.048 0.069 1.502 1.00 0.00 H +ATOM 69 HG13 ILE A 4 -7.554 0.726 2.123 1.00 0.00 H +ATOM 70 HG21 ILE A 4 -7.562 -2.315 -0.613 1.00 0.00 H +ATOM 71 HG22 ILE A 4 -7.904 -2.200 1.127 1.00 0.00 H +ATOM 72 HG23 ILE A 4 -9.081 -1.610 -0.065 1.00 0.00 H +ATOM 73 HD11 ILE A 4 -7.611 2.423 0.233 1.00 0.00 H +ATOM 74 HD12 ILE A 4 -9.219 1.799 -0.198 1.00 0.00 H +ATOM 75 HD13 ILE A 4 -8.963 2.563 1.384 1.00 0.00 H +ATOM 76 N GLN A 5 -4.883 -0.627 -1.705 1.00 0.00 N +ATOM 77 CA GLN A 5 -4.097 -1.237 -2.779 1.00 0.00 C +ATOM 78 C GLN A 5 -2.654 -1.511 -2.339 1.00 0.00 C +ATOM 79 O GLN A 5 -2.134 -2.592 -2.614 1.00 0.00 O +ATOM 80 CB GLN A 5 -4.124 -0.349 -4.035 1.00 0.00 C +ATOM 81 CG GLN A 5 -5.446 -0.464 -4.826 1.00 0.00 C +ATOM 82 CD GLN A 5 -6.302 0.803 -4.886 1.00 0.00 C +ATOM 83 OE1 GLN A 5 -5.896 1.911 -4.564 1.00 0.00 O +ATOM 84 NE2 GLN A 5 -7.545 0.678 -5.313 1.00 0.00 N +ATOM 85 H GLN A 5 -5.163 0.337 -1.814 1.00 0.00 H +ATOM 86 HA GLN A 5 -4.533 -2.207 -3.026 1.00 0.00 H +ATOM 87 HB2 GLN A 5 -3.993 0.673 -3.735 1.00 0.00 H +ATOM 88 HB3 GLN A 5 -3.318 -0.674 -4.696 1.00 0.00 H +ATOM 89 HG2 GLN A 5 -5.203 -0.745 -5.833 1.00 0.00 H +ATOM 90 HG3 GLN A 5 -6.054 -1.268 -4.411 1.00 0.00 H +ATOM 91 HE21 GLN A 5 -7.934 -0.208 -5.587 1.00 0.00 H +ATOM 92 HE22 GLN A 5 -8.048 1.544 -5.402 1.00 0.00 H +ATOM 93 N TRP A 6 -2.027 -0.572 -1.618 1.00 0.00 N +ATOM 94 CA TRP A 6 -0.693 -0.764 -1.047 1.00 0.00 C +ATOM 95 C TRP A 6 -0.644 -1.917 -0.026 1.00 0.00 C +ATOM 96 O TRP A 6 0.231 -2.778 -0.111 1.00 0.00 O +ATOM 97 CB TRP A 6 -0.213 0.557 -0.443 1.00 0.00 C +ATOM 98 CG TRP A 6 1.169 0.505 0.124 1.00 0.00 C +ATOM 99 CD1 TRP A 6 2.314 0.542 -0.597 1.00 0.00 C +ATOM 100 CD2 TRP A 6 1.577 0.373 1.518 1.00 0.00 C +ATOM 101 NE1 TRP A 6 3.396 0.430 0.252 1.00 0.00 N +ATOM 102 CE2 TRP A 6 3.001 0.346 1.569 1.00 0.00 C +ATOM 103 CE3 TRP A 6 0.887 0.268 2.747 1.00 0.00 C +ATOM 104 CZ2 TRP A 6 3.712 0.258 2.772 1.00 0.00 C +ATOM 105 CZ3 TRP A 6 1.592 0.150 3.960 1.00 0.00 C +ATOM 106 CH2 TRP A 6 2.998 0.165 3.978 1.00 0.00 C +ATOM 107 H TRP A 6 -2.505 0.316 -1.478 1.00 0.00 H +ATOM 108 HA TRP A 6 -0.010 -1.033 -1.856 1.00 0.00 H +ATOM 109 HB2 TRP A 6 -0.234 1.306 -1.211 1.00 0.00 H +ATOM 110 HB3 TRP A 6 -0.898 0.860 0.348 1.00 0.00 H +ATOM 111 HD1 TRP A 6 2.368 0.630 -1.674 1.00 0.00 H +ATOM 112 HE1 TRP A 6 4.370 0.409 -0.063 1.00 0.00 H +ATOM 113 HE3 TRP A 6 -0.194 0.280 2.749 1.00 0.00 H +ATOM 114 HZ2 TRP A 6 4.792 0.247 2.758 1.00 0.00 H +ATOM 115 HZ3 TRP A 6 1.046 0.055 4.888 1.00 0.00 H +ATOM 116 HH2 TRP A 6 3.527 0.092 4.916 1.00 0.00 H +ATOM 117 N LEU A 7 -1.605 -2.000 0.907 1.00 0.00 N +ATOM 118 CA LEU A 7 -1.710 -3.134 1.832 1.00 0.00 C +ATOM 119 C LEU A 7 -1.929 -4.466 1.106 1.00 0.00 C +ATOM 120 O LEU A 7 -1.324 -5.461 1.502 1.00 0.00 O +ATOM 121 CB LEU A 7 -2.824 -2.903 2.868 1.00 0.00 C +ATOM 122 CG LEU A 7 -2.460 -1.924 4.000 1.00 0.00 C +ATOM 123 CD1 LEU A 7 -3.711 -1.690 4.853 1.00 0.00 C +ATOM 124 CD2 LEU A 7 -1.353 -2.460 4.918 1.00 0.00 C +ATOM 125 H LEU A 7 -2.291 -1.251 0.973 1.00 0.00 H +ATOM 126 HA LEU A 7 -0.757 -3.234 2.349 1.00 0.00 H +ATOM 127 HB2 LEU A 7 -3.682 -2.515 2.354 1.00 0.00 H +ATOM 128 HB3 LEU A 7 -3.076 -3.862 3.324 1.00 0.00 H +ATOM 129 HG LEU A 7 -2.134 -0.976 3.579 1.00 0.00 H +ATOM 130 HD11 LEU A 7 -4.496 -1.248 4.240 1.00 0.00 H +ATOM 131 HD12 LEU A 7 -4.067 -2.637 5.262 1.00 0.00 H +ATOM 132 HD13 LEU A 7 -3.483 -1.016 5.677 1.00 0.00 H +ATOM 133 HD21 LEU A 7 -1.664 -3.401 5.371 1.00 0.00 H +ATOM 134 HD22 LEU A 7 -0.433 -2.614 4.360 1.00 0.00 H +ATOM 135 HD23 LEU A 7 -1.147 -1.735 5.706 1.00 0.00 H +ATOM 136 N LYS A 8 -2.718 -4.492 0.018 1.00 0.00 N +ATOM 137 CA LYS A 8 -2.894 -5.686 -0.829 1.00 0.00 C +ATOM 138 C LYS A 8 -1.564 -6.220 -1.379 1.00 0.00 C +ATOM 139 O LYS A 8 -1.459 -7.409 -1.665 1.00 0.00 O +ATOM 140 CB LYS A 8 -3.864 -5.370 -1.980 1.00 0.00 C +ATOM 141 CG LYS A 8 -4.388 -6.622 -2.718 1.00 0.00 C +ATOM 142 CD LYS A 8 -4.505 -6.437 -4.242 1.00 0.00 C +ATOM 143 CE LYS A 8 -3.209 -6.745 -5.018 1.00 0.00 C +ATOM 144 NZ LYS A 8 -2.118 -5.779 -4.739 1.00 0.00 N +ATOM 145 H LYS A 8 -3.231 -3.643 -0.211 1.00 0.00 H +ATOM 146 HA LYS A 8 -3.325 -6.477 -0.214 1.00 0.00 H +ATOM 147 HB2 LYS A 8 -4.705 -4.839 -1.577 1.00 0.00 H +ATOM 148 HB3 LYS A 8 -3.360 -4.716 -2.685 1.00 0.00 H +ATOM 149 HG2 LYS A 8 -3.715 -7.435 -2.526 1.00 0.00 H +ATOM 150 HG3 LYS A 8 -5.377 -6.849 -2.317 1.00 0.00 H +ATOM 151 HD2 LYS A 8 -5.276 -7.091 -4.602 1.00 0.00 H +ATOM 152 HD3 LYS A 8 -4.855 -5.430 -4.471 1.00 0.00 H +ATOM 153 HE2 LYS A 8 -2.873 -7.727 -4.745 1.00 0.00 H +ATOM 154 HE3 LYS A 8 -3.446 -6.733 -6.086 1.00 0.00 H +ATOM 155 HZ1 LYS A 8 -2.396 -4.819 -4.880 1.00 0.00 H +ATOM 156 HZ2 LYS A 8 -1.774 -5.854 -3.793 1.00 0.00 H +ATOM 157 HZ3 LYS A 8 -1.282 -5.906 -5.304 1.00 0.00 H +ATOM 158 N ASP A 9 -0.551 -5.368 -1.570 1.00 0.00 N +ATOM 159 CA ASP A 9 0.787 -5.808 -1.980 1.00 0.00 C +ATOM 160 C ASP A 9 1.595 -6.452 -0.830 1.00 0.00 C +ATOM 161 O ASP A 9 2.685 -6.970 -1.090 1.00 0.00 O +ATOM 162 CB ASP A 9 1.594 -4.630 -2.566 1.00 0.00 C +ATOM 163 CG ASP A 9 0.973 -3.926 -3.776 1.00 0.00 C +ATOM 164 OD1 ASP A 9 0.255 -4.603 -4.551 1.00 0.00 O +ATOM 165 OD2 ASP A 9 1.306 -2.727 -3.970 1.00 0.00 O +ATOM 166 H ASP A 9 -0.687 -4.388 -1.343 1.00 0.00 H +ATOM 167 HA ASP A 9 0.689 -6.562 -2.762 1.00 0.00 H +ATOM 168 HB2 ASP A 9 1.719 -3.900 -1.790 1.00 0.00 H +ATOM 169 HB3 ASP A 9 2.559 -5.017 -2.894 1.00 0.00 H +ATOM 170 N GLY A 10 1.155 -6.367 0.440 1.00 0.00 N +ATOM 171 CA GLY A 10 1.920 -6.800 1.627 1.00 0.00 C +ATOM 172 C GLY A 10 2.495 -5.666 2.504 1.00 0.00 C +ATOM 173 O GLY A 10 3.323 -5.931 3.387 1.00 0.00 O +ATOM 174 H GLY A 10 0.231 -5.972 0.604 1.00 0.00 H +ATOM 175 HA2 GLY A 10 1.260 -7.399 2.254 1.00 0.00 H +ATOM 176 HA3 GLY A 10 2.750 -7.439 1.326 1.00 0.00 H +ATOM 177 N GLY A 11 2.078 -4.413 2.271 1.00 0.00 N +ATOM 178 CA GLY A 11 2.452 -3.248 3.072 1.00 0.00 C +ATOM 179 C GLY A 11 3.971 -2.986 3.103 1.00 0.00 C +ATOM 180 O GLY A 11 4.593 -2.901 2.043 1.00 0.00 O +ATOM 181 H GLY A 11 1.509 -4.255 1.448 1.00 0.00 H +ATOM 182 HA2 GLY A 11 1.968 -2.368 2.650 1.00 0.00 H +ATOM 183 HA3 GLY A 11 2.064 -3.396 4.078 1.00 0.00 H +ATOM 184 N PRO A 12 4.608 -2.840 4.289 1.00 0.00 N +ATOM 185 CA PRO A 12 6.049 -2.569 4.388 1.00 0.00 C +ATOM 186 C PRO A 12 6.947 -3.622 3.719 1.00 0.00 C +ATOM 187 O PRO A 12 8.100 -3.334 3.404 1.00 0.00 O +ATOM 188 CB PRO A 12 6.365 -2.497 5.887 1.00 0.00 C +ATOM 189 CG PRO A 12 5.019 -2.212 6.546 1.00 0.00 C +ATOM 190 CD PRO A 12 4.017 -2.897 5.618 1.00 0.00 C +ATOM 191 HA PRO A 12 6.252 -1.600 3.932 1.00 0.00 H +ATOM 192 HB2 PRO A 12 6.768 -3.428 6.235 1.00 0.00 H +ATOM 193 HB3 PRO A 12 7.091 -1.712 6.104 1.00 0.00 H +ATOM 194 HG2 PRO A 12 4.978 -2.632 7.532 1.00 0.00 H +ATOM 195 HG3 PRO A 12 4.836 -1.136 6.553 1.00 0.00 H +ATOM 196 HD2 PRO A 12 3.866 -3.916 5.917 1.00 0.00 H +ATOM 197 HD3 PRO A 12 3.061 -2.377 5.665 1.00 0.00 H +ATOM 198 N SER A 13 6.430 -4.838 3.502 1.00 0.00 N +ATOM 199 CA SER A 13 7.167 -5.968 2.930 1.00 0.00 C +ATOM 200 C SER A 13 7.113 -6.043 1.392 1.00 0.00 C +ATOM 201 O SER A 13 7.652 -6.980 0.805 1.00 0.00 O +ATOM 202 CB SER A 13 6.723 -7.269 3.614 1.00 0.00 C +ATOM 203 OG SER A 13 5.376 -7.634 3.349 1.00 0.00 O +ATOM 204 H SER A 13 5.454 -4.968 3.734 1.00 0.00 H +ATOM 205 HA SER A 13 8.222 -5.839 3.177 1.00 0.00 H +ATOM 206 HB2 SER A 13 7.360 -8.063 3.274 1.00 0.00 H +ATOM 207 HB3 SER A 13 6.865 -7.162 4.691 1.00 0.00 H +ATOM 208 HG SER A 13 4.737 -6.918 3.537 1.00 0.00 H +ATOM 209 N SER A 14 6.508 -5.047 0.733 1.00 0.00 N +ATOM 210 CA SER A 14 6.226 -5.028 -0.713 1.00 0.00 C +ATOM 211 C SER A 14 7.223 -4.235 -1.564 1.00 0.00 C +ATOM 212 O SER A 14 7.035 -4.116 -2.774 1.00 0.00 O +ATOM 213 CB SER A 14 4.854 -4.397 -0.935 1.00 0.00 C +ATOM 214 OG SER A 14 3.928 -5.006 -0.081 1.00 0.00 O +ATOM 215 H SER A 14 6.017 -4.350 1.287 1.00 0.00 H +ATOM 216 HA SER A 14 6.196 -6.052 -1.088 1.00 0.00 H +ATOM 217 HB2 SER A 14 4.903 -3.346 -0.722 1.00 0.00 H +ATOM 218 HB3 SER A 14 4.546 -4.527 -1.971 1.00 0.00 H +ATOM 219 HG SER A 14 3.589 -5.837 -0.501 1.00 0.00 H +ATOM 220 N GLY A 15 8.236 -3.613 -0.954 1.00 0.00 N +ATOM 221 CA GLY A 15 9.241 -2.785 -1.634 1.00 0.00 C +ATOM 222 C GLY A 15 8.755 -1.388 -2.056 1.00 0.00 C +ATOM 223 O GLY A 15 9.534 -0.439 -2.013 1.00 0.00 O +ATOM 224 H GLY A 15 8.306 -3.739 0.046 1.00 0.00 H +ATOM 225 HA2 GLY A 15 10.102 -2.664 -0.978 1.00 0.00 H +ATOM 226 HA3 GLY A 15 9.576 -3.308 -2.531 1.00 0.00 H +ATOM 227 N ARG A 16 7.484 -1.243 -2.458 1.00 0.00 N +ATOM 228 CA ARG A 16 6.866 0.043 -2.822 1.00 0.00 C +ATOM 229 C ARG A 16 6.607 0.907 -1.567 1.00 0.00 C +ATOM 230 O ARG A 16 6.048 0.385 -0.598 1.00 0.00 O +ATOM 231 CB ARG A 16 5.566 -0.231 -3.600 1.00 0.00 C +ATOM 232 CG ARG A 16 5.057 1.011 -4.351 1.00 0.00 C +ATOM 233 CD ARG A 16 3.793 0.732 -5.180 1.00 0.00 C +ATOM 234 NE ARG A 16 4.079 -0.101 -6.363 1.00 0.00 N +ATOM 235 CZ ARG A 16 3.877 -1.406 -6.533 1.00 0.00 C +ATOM 236 NH1 ARG A 16 3.266 -2.191 -5.676 1.00 0.00 N +ATOM 237 NH2 ARG A 16 4.308 -1.979 -7.632 1.00 0.00 N +ATOM 238 H ARG A 16 6.937 -2.095 -2.518 1.00 0.00 H +ATOM 239 HA ARG A 16 7.569 0.558 -3.476 1.00 0.00 H +ATOM 240 HB2 ARG A 16 5.749 -1.013 -4.312 1.00 0.00 H +ATOM 241 HB3 ARG A 16 4.793 -0.580 -2.914 1.00 0.00 H +ATOM 242 HG2 ARG A 16 4.834 1.777 -3.634 1.00 0.00 H +ATOM 243 HG3 ARG A 16 5.843 1.374 -5.018 1.00 0.00 H +ATOM 244 HD2 ARG A 16 3.079 0.222 -4.562 1.00 0.00 H +ATOM 245 HD3 ARG A 16 3.407 1.693 -5.529 1.00 0.00 H +ATOM 246 HE ARG A 16 4.530 0.371 -7.128 1.00 0.00 H +ATOM 247 HH11 ARG A 16 2.673 -1.883 -4.893 1.00 0.00 H +ATOM 248 HH12 ARG A 16 3.162 -3.167 -5.861 1.00 0.00 H +ATOM 249 HH21 ARG A 16 4.765 -1.448 -8.350 1.00 0.00 H +ATOM 250 HH22 ARG A 16 4.157 -2.963 -7.759 1.00 0.00 H +ATOM 251 N PRO A 17 6.947 2.213 -1.560 1.00 0.00 N +ATOM 252 CA PRO A 17 6.730 3.085 -0.400 1.00 0.00 C +ATOM 253 C PRO A 17 5.232 3.312 -0.095 1.00 0.00 C +ATOM 254 O PRO A 17 4.400 3.172 -0.996 1.00 0.00 O +ATOM 255 CB PRO A 17 7.438 4.403 -0.744 1.00 0.00 C +ATOM 256 CG PRO A 17 7.414 4.433 -2.270 1.00 0.00 C +ATOM 257 CD PRO A 17 7.583 2.961 -2.635 1.00 0.00 C +ATOM 258 HA PRO A 17 7.208 2.638 0.471 1.00 0.00 H +ATOM 259 HB2 PRO A 17 6.907 5.241 -0.336 1.00 0.00 H +ATOM 260 HB3 PRO A 17 8.472 4.360 -0.399 1.00 0.00 H +ATOM 261 HG2 PRO A 17 6.481 4.818 -2.635 1.00 0.00 H +ATOM 262 HG3 PRO A 17 8.216 5.048 -2.679 1.00 0.00 H +ATOM 263 HD2 PRO A 17 7.104 2.750 -3.572 1.00 0.00 H +ATOM 264 HD3 PRO A 17 8.643 2.709 -2.673 1.00 0.00 H +ATOM 265 N PRO A 18 4.878 3.687 1.151 1.00 0.00 N +ATOM 266 CA PRO A 18 3.495 3.929 1.554 1.00 0.00 C +ATOM 267 C PRO A 18 2.938 5.209 0.903 1.00 0.00 C +ATOM 268 O PRO A 18 3.617 6.239 0.913 1.00 0.00 O +ATOM 269 CB PRO A 18 3.524 4.048 3.081 1.00 0.00 C +ATOM 270 CG PRO A 18 4.937 4.549 3.376 1.00 0.00 C +ATOM 271 CD PRO A 18 5.775 3.886 2.283 1.00 0.00 C +ATOM 272 HA PRO A 18 2.889 3.069 1.280 1.00 0.00 H +ATOM 273 HB2 PRO A 18 2.789 4.750 3.425 1.00 0.00 H +ATOM 274 HB3 PRO A 18 3.390 3.061 3.527 1.00 0.00 H +ATOM 275 HG2 PRO A 18 4.989 5.618 3.306 1.00 0.00 H +ATOM 276 HG3 PRO A 18 5.272 4.261 4.373 1.00 0.00 H +ATOM 277 HD2 PRO A 18 6.593 4.522 2.003 1.00 0.00 H +ATOM 278 HD3 PRO A 18 6.135 2.918 2.635 1.00 0.00 H +ATOM 279 N PRO A 19 1.706 5.185 0.359 1.00 0.00 N +ATOM 280 CA PRO A 19 1.071 6.373 -0.198 1.00 0.00 C +ATOM 281 C PRO A 19 0.534 7.279 0.922 1.00 0.00 C +ATOM 282 O PRO A 19 0.005 6.793 1.925 1.00 0.00 O +ATOM 283 CB PRO A 19 -0.043 5.831 -1.093 1.00 0.00 C +ATOM 284 CG PRO A 19 -0.475 4.546 -0.383 1.00 0.00 C +ATOM 285 CD PRO A 19 0.817 4.036 0.254 1.00 0.00 C +ATOM 286 HA PRO A 19 1.785 6.932 -0.806 1.00 0.00 H +ATOM 287 HB2 PRO A 19 -0.857 6.527 -1.157 1.00 0.00 H +ATOM 288 HB3 PRO A 19 0.371 5.580 -2.071 1.00 0.00 H +ATOM 289 HG2 PRO A 19 -1.216 4.752 0.365 1.00 0.00 H +ATOM 290 HG3 PRO A 19 -0.885 3.819 -1.084 1.00 0.00 H +ATOM 291 HD2 PRO A 19 0.616 3.632 1.228 1.00 0.00 H +ATOM 292 HD3 PRO A 19 1.276 3.286 -0.389 1.00 0.00 H +ATOM 293 N SER A 20 0.660 8.597 0.722 1.00 0.00 N +ATOM 294 CA SER A 20 0.150 9.654 1.607 1.00 0.00 C +ATOM 295 C SER A 20 -1.110 10.284 1.016 1.00 0.00 C +ATOM 296 O SER A 20 -2.094 10.380 1.786 1.00 0.00 O +ATOM 297 CB SER A 20 1.248 10.701 1.823 1.00 0.00 C +ATOM 298 OG SER A 20 0.910 11.534 2.908 1.00 0.00 O +ATOM 299 OXT SER A 20 -1.067 10.639 -0.179 1.00 0.00 O +ATOM 300 H SER A 20 1.051 8.910 -0.152 1.00 0.00 H +ATOM 301 HA SER A 20 -0.125 9.214 2.563 1.00 0.00 H +ATOM 302 HB2 SER A 20 2.177 10.205 2.031 1.00 0.00 H +ATOM 303 HB3 SER A 20 1.371 11.300 0.918 1.00 0.00 H +ATOM 304 HG SER A 20 0.272 11.069 3.455 1.00 0.00 H +TER 305 SER A 20 +ENDMDL +MODEL 14 +ATOM 1 N ASN A 1 -6.401 7.662 -1.132 1.00 0.00 N +ATOM 2 CA ASN A 1 -7.275 6.470 -1.269 1.00 0.00 C +ATOM 3 C ASN A 1 -6.573 5.259 -1.924 1.00 0.00 C +ATOM 4 O ASN A 1 -7.244 4.408 -2.495 1.00 0.00 O +ATOM 5 CB ASN A 1 -8.588 6.852 -1.993 1.00 0.00 C +ATOM 6 CG ASN A 1 -9.793 6.163 -1.354 1.00 0.00 C +ATOM 7 OD1 ASN A 1 -9.671 5.136 -0.706 1.00 0.00 O +ATOM 8 ND2 ASN A 1 -10.977 6.741 -1.450 1.00 0.00 N +ATOM 9 H1 ASN A 1 -5.636 7.473 -0.499 1.00 0.00 H +ATOM 10 H2 ASN A 1 -6.040 7.938 -2.035 1.00 0.00 H +ATOM 11 H3 ASN A 1 -6.938 8.429 -0.749 1.00 0.00 H +ATOM 12 HA ASN A 1 -7.560 6.149 -0.264 1.00 0.00 H +ATOM 13 HB2 ASN A 1 -8.722 7.915 -1.937 1.00 0.00 H +ATOM 14 HB3 ASN A 1 -8.537 6.586 -3.050 1.00 0.00 H +ATOM 15 HD21 ASN A 1 -11.144 7.601 -1.945 1.00 0.00 H +ATOM 16 HD22 ASN A 1 -11.719 6.237 -0.991 1.00 0.00 H +ATOM 17 N LEU A 2 -5.236 5.147 -1.843 1.00 0.00 N +ATOM 18 CA LEU A 2 -4.460 4.057 -2.472 1.00 0.00 C +ATOM 19 C LEU A 2 -3.853 3.067 -1.460 1.00 0.00 C +ATOM 20 O LEU A 2 -3.274 2.048 -1.840 1.00 0.00 O +ATOM 21 CB LEU A 2 -3.389 4.680 -3.399 1.00 0.00 C +ATOM 22 CG LEU A 2 -3.705 4.592 -4.905 1.00 0.00 C +ATOM 23 CD1 LEU A 2 -3.639 3.147 -5.409 1.00 0.00 C +ATOM 24 CD2 LEU A 2 -5.061 5.208 -5.270 1.00 0.00 C +ATOM 25 H LEU A 2 -4.672 5.849 -1.391 1.00 0.00 H +ATOM 26 HA LEU A 2 -5.127 3.449 -3.079 1.00 0.00 H +ATOM 27 HB2 LEU A 2 -3.286 5.716 -3.140 1.00 0.00 H +ATOM 28 HB3 LEU A 2 -2.429 4.188 -3.232 1.00 0.00 H +ATOM 29 HG LEU A 2 -2.935 5.159 -5.430 1.00 0.00 H +ATOM 30 HD11 LEU A 2 -2.666 2.717 -5.172 1.00 0.00 H +ATOM 31 HD12 LEU A 2 -4.417 2.537 -4.955 1.00 0.00 H +ATOM 32 HD13 LEU A 2 -3.774 3.127 -6.492 1.00 0.00 H +ATOM 33 HD21 LEU A 2 -5.877 4.592 -4.894 1.00 0.00 H +ATOM 34 HD22 LEU A 2 -5.138 6.211 -4.856 1.00 0.00 H +ATOM 35 HD23 LEU A 2 -5.148 5.268 -6.356 1.00 0.00 H +ATOM 36 N TYR A 3 -4.027 3.341 -0.163 1.00 0.00 N +ATOM 37 CA TYR A 3 -3.458 2.567 0.937 1.00 0.00 C +ATOM 38 C TYR A 3 -3.944 1.109 0.964 1.00 0.00 C +ATOM 39 O TYR A 3 -3.174 0.216 1.296 1.00 0.00 O +ATOM 40 CB TYR A 3 -3.759 3.287 2.260 1.00 0.00 C +ATOM 41 CG TYR A 3 -2.564 3.330 3.186 1.00 0.00 C +ATOM 42 CD1 TYR A 3 -2.297 2.234 4.021 1.00 0.00 C +ATOM 43 CD2 TYR A 3 -1.713 4.454 3.196 1.00 0.00 C +ATOM 44 CE1 TYR A 3 -1.182 2.255 4.876 1.00 0.00 C +ATOM 45 CE2 TYR A 3 -0.605 4.489 4.064 1.00 0.00 C +ATOM 46 CZ TYR A 3 -0.339 3.386 4.907 1.00 0.00 C +ATOM 47 OH TYR A 3 0.697 3.407 5.788 1.00 0.00 O +ATOM 48 H TYR A 3 -4.543 4.171 0.073 1.00 0.00 H +ATOM 49 HA TYR A 3 -2.375 2.545 0.801 1.00 0.00 H +ATOM 50 HB2 TYR A 3 -4.061 4.293 2.042 1.00 0.00 H +ATOM 51 HB3 TYR A 3 -4.593 2.797 2.766 1.00 0.00 H +ATOM 52 HD1 TYR A 3 -2.954 1.378 4.007 1.00 0.00 H +ATOM 53 HD2 TYR A 3 -1.904 5.298 2.546 1.00 0.00 H +ATOM 54 HE1 TYR A 3 -0.969 1.423 5.532 1.00 0.00 H +ATOM 55 HE2 TYR A 3 0.032 5.362 4.078 1.00 0.00 H +ATOM 56 HH TYR A 3 0.695 4.212 6.308 1.00 0.00 H +ATOM 57 N ILE A 4 -5.199 0.862 0.556 1.00 0.00 N +ATOM 58 CA ILE A 4 -5.795 -0.478 0.440 1.00 0.00 C +ATOM 59 C ILE A 4 -4.969 -1.337 -0.529 1.00 0.00 C +ATOM 60 O ILE A 4 -4.571 -2.450 -0.193 1.00 0.00 O +ATOM 61 CB ILE A 4 -7.277 -0.384 -0.008 1.00 0.00 C +ATOM 62 CG1 ILE A 4 -8.120 0.501 0.945 1.00 0.00 C +ATOM 63 CG2 ILE A 4 -7.894 -1.795 -0.096 1.00 0.00 C +ATOM 64 CD1 ILE A 4 -9.475 0.918 0.356 1.00 0.00 C +ATOM 65 H ILE A 4 -5.761 1.657 0.298 1.00 0.00 H +ATOM 66 HA ILE A 4 -5.759 -0.960 1.418 1.00 0.00 H +ATOM 67 HB ILE A 4 -7.306 0.064 -1.002 1.00 0.00 H +ATOM 68 HG12 ILE A 4 -8.297 -0.048 1.850 1.00 0.00 H +ATOM 69 HG13 ILE A 4 -7.586 1.423 1.167 1.00 0.00 H +ATOM 70 HG21 ILE A 4 -7.385 -2.392 -0.852 1.00 0.00 H +ATOM 71 HG22 ILE A 4 -7.817 -2.302 0.867 1.00 0.00 H +ATOM 72 HG23 ILE A 4 -8.945 -1.739 -0.379 1.00 0.00 H +ATOM 73 HD11 ILE A 4 -9.330 1.364 -0.631 1.00 0.00 H +ATOM 74 HD12 ILE A 4 -10.141 0.060 0.274 1.00 0.00 H +ATOM 75 HD13 ILE A 4 -9.939 1.657 1.008 1.00 0.00 H +ATOM 76 N GLN A 5 -4.685 -0.803 -1.722 1.00 0.00 N +ATOM 77 CA GLN A 5 -3.904 -1.463 -2.769 1.00 0.00 C +ATOM 78 C GLN A 5 -2.453 -1.702 -2.326 1.00 0.00 C +ATOM 79 O GLN A 5 -1.920 -2.790 -2.539 1.00 0.00 O +ATOM 80 CB GLN A 5 -3.995 -0.617 -4.058 1.00 0.00 C +ATOM 81 CG GLN A 5 -4.421 -1.431 -5.294 1.00 0.00 C +ATOM 82 CD GLN A 5 -5.350 -0.621 -6.194 1.00 0.00 C +ATOM 83 OE1 GLN A 5 -4.942 0.305 -6.876 1.00 0.00 O +ATOM 84 NE2 GLN A 5 -6.636 -0.921 -6.208 1.00 0.00 N +ATOM 85 H GLN A 5 -4.991 0.144 -1.894 1.00 0.00 H +ATOM 86 HA GLN A 5 -4.348 -2.442 -2.942 1.00 0.00 H +ATOM 87 HB2 GLN A 5 -4.713 0.165 -3.902 1.00 0.00 H +ATOM 88 HB3 GLN A 5 -3.039 -0.132 -4.264 1.00 0.00 H +ATOM 89 HG2 GLN A 5 -3.546 -1.706 -5.851 1.00 0.00 H +ATOM 90 HG3 GLN A 5 -4.941 -2.342 -4.994 1.00 0.00 H +ATOM 91 HE21 GLN A 5 -7.025 -1.675 -5.669 1.00 0.00 H +ATOM 92 HE22 GLN A 5 -7.188 -0.340 -6.815 1.00 0.00 H +ATOM 93 N TRP A 6 -1.834 -0.719 -1.658 1.00 0.00 N +ATOM 94 CA TRP A 6 -0.498 -0.859 -1.070 1.00 0.00 C +ATOM 95 C TRP A 6 -0.433 -1.932 0.032 1.00 0.00 C +ATOM 96 O TRP A 6 0.497 -2.744 0.055 1.00 0.00 O +ATOM 97 CB TRP A 6 -0.042 0.505 -0.544 1.00 0.00 C +ATOM 98 CG TRP A 6 1.340 0.516 0.026 1.00 0.00 C +ATOM 99 CD1 TRP A 6 2.480 0.543 -0.699 1.00 0.00 C +ATOM 100 CD2 TRP A 6 1.754 0.502 1.428 1.00 0.00 C +ATOM 101 NE1 TRP A 6 3.565 0.518 0.155 1.00 0.00 N +ATOM 102 CE2 TRP A 6 3.179 0.507 1.471 1.00 0.00 C +ATOM 103 CE3 TRP A 6 1.081 0.494 2.669 1.00 0.00 C +ATOM 104 CZ2 TRP A 6 3.905 0.515 2.669 1.00 0.00 C +ATOM 105 CZ3 TRP A 6 1.798 0.487 3.882 1.00 0.00 C +ATOM 106 CH2 TRP A 6 3.205 0.501 3.885 1.00 0.00 C +ATOM 107 H TRP A 6 -2.329 0.162 -1.554 1.00 0.00 H +ATOM 108 HA TRP A 6 0.193 -1.170 -1.855 1.00 0.00 H +ATOM 109 HB2 TRP A 6 -0.076 1.206 -1.355 1.00 0.00 H +ATOM 110 HB3 TRP A 6 -0.737 0.847 0.222 1.00 0.00 H +ATOM 111 HD1 TRP A 6 2.524 0.581 -1.779 1.00 0.00 H +ATOM 112 HE1 TRP A 6 4.549 0.548 -0.121 1.00 0.00 H +ATOM 113 HE3 TRP A 6 0.001 0.500 2.681 1.00 0.00 H +ATOM 114 HZ2 TRP A 6 4.985 0.520 2.640 1.00 0.00 H +ATOM 115 HZ3 TRP A 6 1.267 0.489 4.823 1.00 0.00 H +ATOM 116 HH2 TRP A 6 3.747 0.509 4.821 1.00 0.00 H +ATOM 117 N LEU A 7 -1.429 -1.970 0.928 1.00 0.00 N +ATOM 118 CA LEU A 7 -1.563 -3.019 1.940 1.00 0.00 C +ATOM 119 C LEU A 7 -1.832 -4.398 1.325 1.00 0.00 C +ATOM 120 O LEU A 7 -1.302 -5.380 1.840 1.00 0.00 O +ATOM 121 CB LEU A 7 -2.671 -2.661 2.946 1.00 0.00 C +ATOM 122 CG LEU A 7 -2.287 -1.567 3.960 1.00 0.00 C +ATOM 123 CD1 LEU A 7 -3.511 -1.233 4.821 1.00 0.00 C +ATOM 124 CD2 LEU A 7 -1.148 -1.999 4.892 1.00 0.00 C +ATOM 125 H LEU A 7 -2.136 -1.238 0.898 1.00 0.00 H +ATOM 126 HA LEU A 7 -0.618 -3.107 2.473 1.00 0.00 H +ATOM 127 HB2 LEU A 7 -3.527 -2.321 2.395 1.00 0.00 H +ATOM 128 HB3 LEU A 7 -2.940 -3.558 3.506 1.00 0.00 H +ATOM 129 HG LEU A 7 -1.976 -0.668 3.433 1.00 0.00 H +ATOM 130 HD11 LEU A 7 -4.316 -0.864 4.185 1.00 0.00 H +ATOM 131 HD12 LEU A 7 -3.850 -2.123 5.351 1.00 0.00 H +ATOM 132 HD13 LEU A 7 -3.257 -0.464 5.550 1.00 0.00 H +ATOM 133 HD21 LEU A 7 -1.377 -2.965 5.340 1.00 0.00 H +ATOM 134 HD22 LEU A 7 -0.217 -2.069 4.334 1.00 0.00 H +ATOM 135 HD23 LEU A 7 -1.013 -1.260 5.680 1.00 0.00 H +ATOM 136 N LYS A 8 -2.599 -4.488 0.226 1.00 0.00 N +ATOM 137 CA LYS A 8 -2.976 -5.755 -0.427 1.00 0.00 C +ATOM 138 C LYS A 8 -1.777 -6.638 -0.783 1.00 0.00 C +ATOM 139 O LYS A 8 -1.856 -7.858 -0.664 1.00 0.00 O +ATOM 140 CB LYS A 8 -3.803 -5.465 -1.696 1.00 0.00 C +ATOM 141 CG LYS A 8 -4.622 -6.677 -2.165 1.00 0.00 C +ATOM 142 CD LYS A 8 -5.863 -6.886 -1.280 1.00 0.00 C +ATOM 143 CE LYS A 8 -6.602 -8.185 -1.607 1.00 0.00 C +ATOM 144 NZ LYS A 8 -5.801 -9.379 -1.240 1.00 0.00 N +ATOM 145 H LYS A 8 -3.048 -3.631 -0.094 1.00 0.00 H +ATOM 146 HA LYS A 8 -3.571 -6.320 0.286 1.00 0.00 H +ATOM 147 HB2 LYS A 8 -4.477 -4.656 -1.488 1.00 0.00 H +ATOM 148 HB3 LYS A 8 -3.125 -5.174 -2.502 1.00 0.00 H +ATOM 149 HG2 LYS A 8 -4.937 -6.516 -3.178 1.00 0.00 H +ATOM 150 HG3 LYS A 8 -3.995 -7.568 -2.162 1.00 0.00 H +ATOM 151 HD2 LYS A 8 -5.553 -6.915 -0.253 1.00 0.00 H +ATOM 152 HD3 LYS A 8 -6.542 -6.046 -1.435 1.00 0.00 H +ATOM 153 HE2 LYS A 8 -7.527 -8.206 -1.063 1.00 0.00 H +ATOM 154 HE3 LYS A 8 -6.842 -8.200 -2.674 1.00 0.00 H +ATOM 155 HZ1 LYS A 8 -4.958 -9.420 -1.800 1.00 0.00 H +ATOM 156 HZ2 LYS A 8 -5.526 -9.332 -0.267 1.00 0.00 H +ATOM 157 HZ3 LYS A 8 -6.335 -10.225 -1.388 1.00 0.00 H +ATOM 158 N ASP A 9 -0.693 -6.000 -1.216 1.00 0.00 N +ATOM 159 CA ASP A 9 0.577 -6.608 -1.609 1.00 0.00 C +ATOM 160 C ASP A 9 1.501 -6.893 -0.404 1.00 0.00 C +ATOM 161 O ASP A 9 2.502 -7.590 -0.554 1.00 0.00 O +ATOM 162 CB ASP A 9 1.191 -5.620 -2.609 1.00 0.00 C +ATOM 163 CG ASP A 9 2.246 -6.195 -3.544 1.00 0.00 C +ATOM 164 OD1 ASP A 9 1.842 -6.848 -4.529 1.00 0.00 O +ATOM 165 OD2 ASP A 9 3.401 -5.726 -3.445 1.00 0.00 O +ATOM 166 H ASP A 9 -0.773 -4.997 -1.309 1.00 0.00 H +ATOM 167 HA ASP A 9 0.386 -7.552 -2.122 1.00 0.00 H +ATOM 168 HB2 ASP A 9 0.396 -5.225 -3.212 1.00 0.00 H +ATOM 169 HB3 ASP A 9 1.601 -4.770 -2.070 1.00 0.00 H +ATOM 170 N GLY A 10 1.138 -6.413 0.799 1.00 0.00 N +ATOM 171 CA GLY A 10 1.851 -6.634 2.059 1.00 0.00 C +ATOM 172 C GLY A 10 2.515 -5.385 2.659 1.00 0.00 C +ATOM 173 O GLY A 10 3.469 -5.523 3.433 1.00 0.00 O +ATOM 174 H GLY A 10 0.235 -5.953 0.859 1.00 0.00 H +ATOM 175 HA2 GLY A 10 1.135 -7.004 2.792 1.00 0.00 H +ATOM 176 HA3 GLY A 10 2.606 -7.406 1.922 1.00 0.00 H +ATOM 177 N GLY A 11 2.037 -4.182 2.311 1.00 0.00 N +ATOM 178 CA GLY A 11 2.491 -2.882 2.819 1.00 0.00 C +ATOM 179 C GLY A 11 4.020 -2.705 2.788 1.00 0.00 C +ATOM 180 O GLY A 11 4.574 -2.593 1.694 1.00 0.00 O +ATOM 181 H GLY A 11 1.318 -4.166 1.598 1.00 0.00 H +ATOM 182 HA2 GLY A 11 2.060 -2.105 2.191 1.00 0.00 H +ATOM 183 HA3 GLY A 11 2.102 -2.739 3.824 1.00 0.00 H +ATOM 184 N PRO A 12 4.730 -2.700 3.937 1.00 0.00 N +ATOM 185 CA PRO A 12 6.196 -2.624 3.971 1.00 0.00 C +ATOM 186 C PRO A 12 6.905 -3.715 3.153 1.00 0.00 C +ATOM 187 O PRO A 12 8.004 -3.490 2.653 1.00 0.00 O +ATOM 188 CB PRO A 12 6.587 -2.742 5.450 1.00 0.00 C +ATOM 189 CG PRO A 12 5.333 -2.306 6.202 1.00 0.00 C +ATOM 190 CD PRO A 12 4.199 -2.770 5.292 1.00 0.00 C +ATOM 191 HA PRO A 12 6.504 -1.647 3.594 1.00 0.00 H +ATOM 192 HB2 PRO A 12 6.846 -3.754 5.696 1.00 0.00 H +ATOM 193 HB3 PRO A 12 7.442 -2.107 5.689 1.00 0.00 H +ATOM 194 HG2 PRO A 12 5.275 -2.782 7.162 1.00 0.00 H +ATOM 195 HG3 PRO A 12 5.315 -1.219 6.283 1.00 0.00 H +ATOM 196 HD2 PRO A 12 3.915 -3.777 5.531 1.00 0.00 H +ATOM 197 HD3 PRO A 12 3.335 -2.119 5.426 1.00 0.00 H +ATOM 198 N SER A 13 6.277 -4.888 3.002 1.00 0.00 N +ATOM 199 CA SER A 13 6.825 -6.021 2.248 1.00 0.00 C +ATOM 200 C SER A 13 6.595 -5.934 0.728 1.00 0.00 C +ATOM 201 O SER A 13 7.075 -6.791 -0.007 1.00 0.00 O +ATOM 202 CB SER A 13 6.342 -7.350 2.853 1.00 0.00 C +ATOM 203 OG SER A 13 4.946 -7.537 2.785 1.00 0.00 O +ATOM 204 H SER A 13 5.343 -4.969 3.391 1.00 0.00 H +ATOM 205 HA SER A 13 7.908 -6.013 2.377 1.00 0.00 H +ATOM 206 HB2 SER A 13 6.816 -8.154 2.324 1.00 0.00 H +ATOM 207 HB3 SER A 13 6.647 -7.388 3.900 1.00 0.00 H +ATOM 208 HG SER A 13 4.461 -6.757 3.136 1.00 0.00 H +ATOM 209 N SER A 14 5.937 -4.870 0.241 1.00 0.00 N +ATOM 210 CA SER A 14 5.582 -4.659 -1.171 1.00 0.00 C +ATOM 211 C SER A 14 6.709 -4.075 -2.046 1.00 0.00 C +ATOM 212 O SER A 14 6.506 -3.867 -3.240 1.00 0.00 O +ATOM 213 CB SER A 14 4.394 -3.697 -1.249 1.00 0.00 C +ATOM 214 OG SER A 14 3.342 -4.095 -0.399 1.00 0.00 O +ATOM 215 H SER A 14 5.543 -4.204 0.899 1.00 0.00 H +ATOM 216 HA SER A 14 5.276 -5.613 -1.607 1.00 0.00 H +ATOM 217 HB2 SER A 14 4.721 -2.717 -0.961 1.00 0.00 H +ATOM 218 HB3 SER A 14 4.025 -3.661 -2.271 1.00 0.00 H +ATOM 219 HG SER A 14 2.975 -3.313 0.029 1.00 0.00 H +ATOM 220 N GLY A 15 7.873 -3.737 -1.470 1.00 0.00 N +ATOM 221 CA GLY A 15 8.999 -3.132 -2.201 1.00 0.00 C +ATOM 222 C GLY A 15 8.848 -1.633 -2.516 1.00 0.00 C +ATOM 223 O GLY A 15 9.535 -1.130 -3.401 1.00 0.00 O +ATOM 224 H GLY A 15 7.986 -3.973 -0.495 1.00 0.00 H +ATOM 225 HA2 GLY A 15 9.912 -3.262 -1.623 1.00 0.00 H +ATOM 226 HA3 GLY A 15 9.130 -3.657 -3.149 1.00 0.00 H +ATOM 227 N ARG A 16 7.939 -0.924 -1.830 1.00 0.00 N +ATOM 228 CA ARG A 16 7.559 0.475 -2.105 1.00 0.00 C +ATOM 229 C ARG A 16 7.032 1.175 -0.838 1.00 0.00 C +ATOM 230 O ARG A 16 6.351 0.518 -0.047 1.00 0.00 O +ATOM 231 CB ARG A 16 6.517 0.515 -3.247 1.00 0.00 C +ATOM 232 CG ARG A 16 5.357 -0.489 -3.097 1.00 0.00 C +ATOM 233 CD ARG A 16 4.496 -0.583 -4.360 1.00 0.00 C +ATOM 234 NE ARG A 16 3.700 -1.826 -4.349 1.00 0.00 N +ATOM 235 CZ ARG A 16 3.398 -2.606 -5.380 1.00 0.00 C +ATOM 236 NH1 ARG A 16 3.636 -2.252 -6.620 1.00 0.00 N +ATOM 237 NH2 ARG A 16 2.850 -3.774 -5.180 1.00 0.00 N +ATOM 238 H ARG A 16 7.441 -1.405 -1.093 1.00 0.00 H +ATOM 239 HA ARG A 16 8.452 1.000 -2.443 1.00 0.00 H +ATOM 240 HB2 ARG A 16 6.101 1.503 -3.285 1.00 0.00 H +ATOM 241 HB3 ARG A 16 7.040 0.296 -4.178 1.00 0.00 H +ATOM 242 HG2 ARG A 16 5.766 -1.458 -2.886 1.00 0.00 H +ATOM 243 HG3 ARG A 16 4.736 -0.217 -2.247 1.00 0.00 H +ATOM 244 HD2 ARG A 16 3.834 0.260 -4.400 1.00 0.00 H +ATOM 245 HD3 ARG A 16 5.162 -0.588 -5.225 1.00 0.00 H +ATOM 246 HE ARG A 16 3.410 -2.188 -3.456 1.00 0.00 H +ATOM 247 HH11 ARG A 16 4.099 -1.379 -6.787 1.00 0.00 H +ATOM 248 HH12 ARG A 16 3.425 -2.883 -7.370 1.00 0.00 H +ATOM 249 HH21 ARG A 16 3.013 -4.274 -4.292 1.00 0.00 H +ATOM 250 HH22 ARG A 16 2.589 -4.386 -5.930 1.00 0.00 H +ATOM 251 N PRO A 17 7.296 2.484 -0.642 1.00 0.00 N +ATOM 252 CA PRO A 17 6.862 3.230 0.546 1.00 0.00 C +ATOM 253 C PRO A 17 5.336 3.464 0.578 1.00 0.00 C +ATOM 254 O PRO A 17 4.676 3.310 -0.454 1.00 0.00 O +ATOM 255 CB PRO A 17 7.636 4.555 0.478 1.00 0.00 C +ATOM 256 CG PRO A 17 7.830 4.776 -1.020 1.00 0.00 C +ATOM 257 CD PRO A 17 8.034 3.357 -1.545 1.00 0.00 C +ATOM 258 HA PRO A 17 7.157 2.685 1.444 1.00 0.00 H +ATOM 259 HB2 PRO A 17 7.068 5.354 0.914 1.00 0.00 H +ATOM 260 HB3 PRO A 17 8.609 4.434 0.956 1.00 0.00 H +ATOM 261 HG2 PRO A 17 6.963 5.230 -1.460 1.00 0.00 H +ATOM 262 HG3 PRO A 17 8.689 5.414 -1.228 1.00 0.00 H +ATOM 263 HD2 PRO A 17 7.651 3.270 -2.543 1.00 0.00 H +ATOM 264 HD3 PRO A 17 9.094 3.104 -1.509 1.00 0.00 H +ATOM 265 N PRO A 18 4.762 3.851 1.737 1.00 0.00 N +ATOM 266 CA PRO A 18 3.324 4.085 1.879 1.00 0.00 C +ATOM 267 C PRO A 18 2.832 5.288 1.045 1.00 0.00 C +ATOM 268 O PRO A 18 3.507 6.319 1.003 1.00 0.00 O +ATOM 269 CB PRO A 18 3.085 4.299 3.378 1.00 0.00 C +ATOM 270 CG PRO A 18 4.437 4.766 3.908 1.00 0.00 C +ATOM 271 CD PRO A 18 5.429 4.018 3.023 1.00 0.00 C +ATOM 272 HA PRO A 18 2.803 3.182 1.576 1.00 0.00 H +ATOM 273 HB2 PRO A 18 2.333 5.047 3.541 1.00 0.00 H +ATOM 274 HB3 PRO A 18 2.823 3.348 3.843 1.00 0.00 H +ATOM 275 HG2 PRO A 18 4.548 5.828 3.800 1.00 0.00 H +ATOM 276 HG3 PRO A 18 4.568 4.519 4.962 1.00 0.00 H +ATOM 277 HD2 PRO A 18 6.330 4.589 2.906 1.00 0.00 H +ATOM 278 HD3 PRO A 18 5.634 3.036 3.452 1.00 0.00 H +ATOM 279 N PRO A 19 1.660 5.185 0.385 1.00 0.00 N +ATOM 280 CA PRO A 19 1.102 6.250 -0.443 1.00 0.00 C +ATOM 281 C PRO A 19 0.321 7.283 0.390 1.00 0.00 C +ATOM 282 O PRO A 19 -0.811 7.023 0.804 1.00 0.00 O +ATOM 283 CB PRO A 19 0.206 5.530 -1.455 1.00 0.00 C +ATOM 284 CG PRO A 19 -0.321 4.332 -0.664 1.00 0.00 C +ATOM 285 CD PRO A 19 0.850 3.979 0.253 1.00 0.00 C +ATOM 286 HA PRO A 19 1.900 6.759 -0.984 1.00 0.00 H +ATOM 287 HB2 PRO A 19 -0.598 6.163 -1.776 1.00 0.00 H +ATOM 288 HB3 PRO A 19 0.818 5.174 -2.286 1.00 0.00 H +ATOM 289 HG2 PRO A 19 -1.190 4.599 -0.094 1.00 0.00 H +ATOM 290 HG3 PRO A 19 -0.584 3.506 -1.323 1.00 0.00 H +ATOM 291 HD2 PRO A 19 0.487 3.671 1.214 1.00 0.00 H +ATOM 292 HD3 PRO A 19 1.451 3.202 -0.216 1.00 0.00 H +ATOM 293 N SER A 20 0.922 8.471 0.555 1.00 0.00 N +ATOM 294 CA SER A 20 0.386 9.673 1.224 1.00 0.00 C +ATOM 295 C SER A 20 0.416 9.627 2.763 1.00 0.00 C +ATOM 296 O SER A 20 1.001 8.684 3.339 1.00 0.00 O +ATOM 297 CB SER A 20 -1.018 10.026 0.706 1.00 0.00 C +ATOM 298 OG SER A 20 -1.373 11.233 1.334 1.00 0.00 O +ATOM 299 OXT SER A 20 -0.165 10.594 3.315 1.00 0.00 O +ATOM 300 H SER A 20 1.888 8.511 0.265 1.00 0.00 H +ATOM 301 HA SER A 20 1.034 10.508 0.958 1.00 0.00 H +ATOM 302 HB2 SER A 20 -1.001 10.151 -0.360 1.00 0.00 H +ATOM 303 HB3 SER A 20 -1.730 9.255 1.002 1.00 0.00 H +ATOM 304 HG SER A 20 -0.935 11.116 2.254 1.00 0.00 H +TER 305 SER A 20 +ENDMDL +MODEL 15 +ATOM 1 N ASN A 1 -5.555 8.004 -1.532 1.00 0.00 N +ATOM 2 CA ASN A 1 -6.571 6.932 -1.361 1.00 0.00 C +ATOM 3 C ASN A 1 -6.105 5.544 -1.850 1.00 0.00 C +ATOM 4 O ASN A 1 -6.936 4.715 -2.200 1.00 0.00 O +ATOM 5 CB ASN A 1 -7.897 7.340 -2.038 1.00 0.00 C +ATOM 6 CG ASN A 1 -9.071 6.615 -1.385 1.00 0.00 C +ATOM 7 OD1 ASN A 1 -9.297 6.771 -0.197 1.00 0.00 O +ATOM 8 ND2 ASN A 1 -9.821 5.802 -2.107 1.00 0.00 N +ATOM 9 H1 ASN A 1 -4.747 7.831 -0.949 1.00 0.00 H +ATOM 10 H2 ASN A 1 -5.271 8.069 -2.500 1.00 0.00 H +ATOM 11 H3 ASN A 1 -5.951 8.893 -1.252 1.00 0.00 H +ATOM 12 HA ASN A 1 -6.784 6.837 -0.294 1.00 0.00 H +ATOM 13 HB2 ASN A 1 -8.035 8.399 -1.937 1.00 0.00 H +ATOM 14 HB3 ASN A 1 -7.861 7.128 -3.108 1.00 0.00 H +ATOM 15 HD21 ASN A 1 -9.603 5.565 -3.060 1.00 0.00 H +ATOM 16 HD22 ASN A 1 -10.562 5.348 -1.598 1.00 0.00 H +ATOM 17 N LEU A 2 -4.794 5.254 -1.881 1.00 0.00 N +ATOM 18 CA LEU A 2 -4.259 3.990 -2.422 1.00 0.00 C +ATOM 19 C LEU A 2 -3.783 3.017 -1.328 1.00 0.00 C +ATOM 20 O LEU A 2 -3.304 1.928 -1.638 1.00 0.00 O +ATOM 21 CB LEU A 2 -3.148 4.316 -3.442 1.00 0.00 C +ATOM 22 CG LEU A 2 -3.647 5.049 -4.702 1.00 0.00 C +ATOM 23 CD1 LEU A 2 -2.468 5.586 -5.520 1.00 0.00 C +ATOM 24 CD2 LEU A 2 -4.488 4.133 -5.599 1.00 0.00 C +ATOM 25 H LEU A 2 -4.097 5.917 -1.583 1.00 0.00 H +ATOM 26 HA LEU A 2 -5.044 3.453 -2.954 1.00 0.00 H +ATOM 27 HB2 LEU A 2 -2.418 4.936 -2.958 1.00 0.00 H +ATOM 28 HB3 LEU A 2 -2.649 3.395 -3.748 1.00 0.00 H +ATOM 29 HG LEU A 2 -4.253 5.904 -4.403 1.00 0.00 H +ATOM 30 HD11 LEU A 2 -1.705 6.004 -4.864 1.00 0.00 H +ATOM 31 HD12 LEU A 2 -2.024 4.789 -6.119 1.00 0.00 H +ATOM 32 HD13 LEU A 2 -2.821 6.376 -6.183 1.00 0.00 H +ATOM 33 HD21 LEU A 2 -3.921 3.235 -5.845 1.00 0.00 H +ATOM 34 HD22 LEU A 2 -5.413 3.854 -5.094 1.00 0.00 H +ATOM 35 HD23 LEU A 2 -4.743 4.655 -6.521 1.00 0.00 H +ATOM 36 N TYR A 3 -3.936 3.389 -0.051 1.00 0.00 N +ATOM 37 CA TYR A 3 -3.430 2.642 1.105 1.00 0.00 C +ATOM 38 C TYR A 3 -3.954 1.198 1.152 1.00 0.00 C +ATOM 39 O TYR A 3 -3.201 0.279 1.464 1.00 0.00 O +ATOM 40 CB TYR A 3 -3.762 3.414 2.395 1.00 0.00 C +ATOM 41 CG TYR A 3 -2.656 3.341 3.430 1.00 0.00 C +ATOM 42 CD1 TYR A 3 -2.409 2.135 4.112 1.00 0.00 C +ATOM 43 CD2 TYR A 3 -1.845 4.468 3.678 1.00 0.00 C +ATOM 44 CE1 TYR A 3 -1.337 2.043 5.019 1.00 0.00 C +ATOM 45 CE2 TYR A 3 -0.773 4.382 4.586 1.00 0.00 C +ATOM 46 CZ TYR A 3 -0.505 3.158 5.243 1.00 0.00 C +ATOM 47 OH TYR A 3 0.567 3.040 6.071 1.00 0.00 O +ATOM 48 H TYR A 3 -4.366 4.282 0.125 1.00 0.00 H +ATOM 49 HA TYR A 3 -2.345 2.592 1.013 1.00 0.00 H +ATOM 50 HB2 TYR A 3 -3.928 4.444 2.144 1.00 0.00 H +ATOM 51 HB3 TYR A 3 -4.687 3.030 2.829 1.00 0.00 H +ATOM 52 HD1 TYR A 3 -3.032 1.273 3.926 1.00 0.00 H +ATOM 53 HD2 TYR A 3 -2.028 5.403 3.166 1.00 0.00 H +ATOM 54 HE1 TYR A 3 -1.128 1.119 5.535 1.00 0.00 H +ATOM 55 HE2 TYR A 3 -0.160 5.252 4.768 1.00 0.00 H +ATOM 56 HH TYR A 3 1.163 3.787 5.994 1.00 0.00 H +ATOM 57 N ILE A 4 -5.227 0.988 0.788 1.00 0.00 N +ATOM 58 CA ILE A 4 -5.849 -0.340 0.711 1.00 0.00 C +ATOM 59 C ILE A 4 -5.125 -1.216 -0.325 1.00 0.00 C +ATOM 60 O ILE A 4 -4.736 -2.340 -0.013 1.00 0.00 O +ATOM 61 CB ILE A 4 -7.369 -0.238 0.414 1.00 0.00 C +ATOM 62 CG1 ILE A 4 -8.095 0.818 1.288 1.00 0.00 C +ATOM 63 CG2 ILE A 4 -8.031 -1.608 0.641 1.00 0.00 C +ATOM 64 CD1 ILE A 4 -8.378 2.119 0.526 1.00 0.00 C +ATOM 65 H ILE A 4 -5.784 1.799 0.563 1.00 0.00 H +ATOM 66 HA ILE A 4 -5.728 -0.819 1.684 1.00 0.00 H +ATOM 67 HB ILE A 4 -7.507 0.023 -0.637 1.00 0.00 H +ATOM 68 HG12 ILE A 4 -9.027 0.405 1.622 1.00 0.00 H +ATOM 69 HG13 ILE A 4 -7.505 1.038 2.179 1.00 0.00 H +ATOM 70 HG21 ILE A 4 -7.517 -2.377 0.069 1.00 0.00 H +ATOM 71 HG22 ILE A 4 -7.986 -1.872 1.699 1.00 0.00 H +ATOM 72 HG23 ILE A 4 -9.075 -1.566 0.331 1.00 0.00 H +ATOM 73 HD11 ILE A 4 -7.483 2.471 0.011 1.00 0.00 H +ATOM 74 HD12 ILE A 4 -9.168 1.948 -0.207 1.00 0.00 H +ATOM 75 HD13 ILE A 4 -8.711 2.887 1.226 1.00 0.00 H +ATOM 76 N GLN A 5 -4.916 -0.702 -1.546 1.00 0.00 N +ATOM 77 CA GLN A 5 -4.150 -1.391 -2.590 1.00 0.00 C +ATOM 78 C GLN A 5 -2.691 -1.624 -2.173 1.00 0.00 C +ATOM 79 O GLN A 5 -2.176 -2.721 -2.360 1.00 0.00 O +ATOM 80 CB GLN A 5 -4.230 -0.639 -3.931 1.00 0.00 C +ATOM 81 CG GLN A 5 -5.625 -0.733 -4.579 1.00 0.00 C +ATOM 82 CD GLN A 5 -5.546 -0.884 -6.097 1.00 0.00 C +ATOM 83 OE1 GLN A 5 -5.814 -1.942 -6.641 1.00 0.00 O +ATOM 84 NE2 GLN A 5 -5.189 0.150 -6.835 1.00 0.00 N +ATOM 85 H GLN A 5 -5.185 0.257 -1.709 1.00 0.00 H +ATOM 86 HA GLN A 5 -4.580 -2.380 -2.738 1.00 0.00 H +ATOM 87 HB2 GLN A 5 -3.999 0.395 -3.760 1.00 0.00 H +ATOM 88 HB3 GLN A 5 -3.503 -1.090 -4.608 1.00 0.00 H +ATOM 89 HG2 GLN A 5 -6.138 -1.583 -4.173 1.00 0.00 H +ATOM 90 HG3 GLN A 5 -6.209 0.153 -4.330 1.00 0.00 H +ATOM 91 HE21 GLN A 5 -4.962 1.049 -6.453 1.00 0.00 H +ATOM 92 HE22 GLN A 5 -5.143 -0.061 -7.818 1.00 0.00 H +ATOM 93 N TRP A 6 -2.038 -0.638 -1.550 1.00 0.00 N +ATOM 94 CA TRP A 6 -0.680 -0.802 -1.023 1.00 0.00 C +ATOM 95 C TRP A 6 -0.581 -1.902 0.052 1.00 0.00 C +ATOM 96 O TRP A 6 0.370 -2.683 0.054 1.00 0.00 O +ATOM 97 CB TRP A 6 -0.182 0.548 -0.505 1.00 0.00 C +ATOM 98 CG TRP A 6 1.217 0.527 0.021 1.00 0.00 C +ATOM 99 CD1 TRP A 6 2.341 0.528 -0.734 1.00 0.00 C +ATOM 100 CD2 TRP A 6 1.664 0.460 1.409 1.00 0.00 C +ATOM 101 NE1 TRP A 6 3.445 0.460 0.092 1.00 0.00 N +ATOM 102 CE2 TRP A 6 3.088 0.426 1.419 1.00 0.00 C +ATOM 103 CE3 TRP A 6 1.014 0.427 2.664 1.00 0.00 C +ATOM 104 CZ2 TRP A 6 3.837 0.383 2.600 1.00 0.00 C +ATOM 105 CZ3 TRP A 6 1.756 0.370 3.860 1.00 0.00 C +ATOM 106 CH2 TRP A 6 3.163 0.355 3.831 1.00 0.00 C +ATOM 107 H TRP A 6 -2.505 0.261 -1.452 1.00 0.00 H +ATOM 108 HA TRP A 6 -0.030 -1.112 -1.845 1.00 0.00 H +ATOM 109 HB2 TRP A 6 -0.227 1.255 -1.311 1.00 0.00 H +ATOM 110 HB3 TRP A 6 -0.844 0.890 0.290 1.00 0.00 H +ATOM 111 HD1 TRP A 6 2.361 0.562 -1.814 1.00 0.00 H +ATOM 112 HE1 TRP A 6 4.420 0.464 -0.212 1.00 0.00 H +ATOM 113 HE3 TRP A 6 -0.065 0.453 2.696 1.00 0.00 H +ATOM 114 HZ2 TRP A 6 4.916 0.365 2.548 1.00 0.00 H +ATOM 115 HZ3 TRP A 6 1.242 0.352 4.811 1.00 0.00 H +ATOM 116 HH2 TRP A 6 3.723 0.327 4.755 1.00 0.00 H +ATOM 117 N LEU A 7 -1.576 -2.011 0.945 1.00 0.00 N +ATOM 118 CA LEU A 7 -1.649 -3.105 1.914 1.00 0.00 C +ATOM 119 C LEU A 7 -1.882 -4.474 1.254 1.00 0.00 C +ATOM 120 O LEU A 7 -1.265 -5.442 1.698 1.00 0.00 O +ATOM 121 CB LEU A 7 -2.712 -2.809 2.985 1.00 0.00 C +ATOM 122 CG LEU A 7 -2.272 -1.754 4.020 1.00 0.00 C +ATOM 123 CD1 LEU A 7 -3.470 -1.358 4.888 1.00 0.00 C +ATOM 124 CD2 LEU A 7 -1.166 -2.267 4.955 1.00 0.00 C +ATOM 125 H LEU A 7 -2.302 -1.297 0.951 1.00 0.00 H +ATOM 126 HA LEU A 7 -0.678 -3.182 2.402 1.00 0.00 H +ATOM 127 HB2 LEU A 7 -3.598 -2.454 2.494 1.00 0.00 H +ATOM 128 HB3 LEU A 7 -2.946 -3.732 3.519 1.00 0.00 H +ATOM 129 HG LEU A 7 -1.907 -0.864 3.508 1.00 0.00 H +ATOM 130 HD11 LEU A 7 -4.258 -0.942 4.261 1.00 0.00 H +ATOM 131 HD12 LEU A 7 -3.855 -2.232 5.416 1.00 0.00 H +ATOM 132 HD13 LEU A 7 -3.169 -0.607 5.619 1.00 0.00 H +ATOM 133 HD21 LEU A 7 -1.504 -3.160 5.481 1.00 0.00 H +ATOM 134 HD22 LEU A 7 -0.268 -2.501 4.389 1.00 0.00 H +ATOM 135 HD23 LEU A 7 -0.914 -1.496 5.684 1.00 0.00 H +ATOM 136 N LYS A 8 -2.698 -4.571 0.188 1.00 0.00 N +ATOM 137 CA LYS A 8 -2.920 -5.824 -0.568 1.00 0.00 C +ATOM 138 C LYS A 8 -1.620 -6.483 -1.050 1.00 0.00 C +ATOM 139 O LYS A 8 -1.511 -7.703 -0.966 1.00 0.00 O +ATOM 140 CB LYS A 8 -3.867 -5.590 -1.762 1.00 0.00 C +ATOM 141 CG LYS A 8 -5.354 -5.831 -1.453 1.00 0.00 C +ATOM 142 CD LYS A 8 -6.249 -4.698 -1.982 1.00 0.00 C +ATOM 143 CE LYS A 8 -7.691 -5.177 -2.180 1.00 0.00 C +ATOM 144 NZ LYS A 8 -8.665 -4.079 -1.976 1.00 0.00 N +ATOM 145 H LYS A 8 -3.180 -3.726 -0.103 1.00 0.00 H +ATOM 146 HA LYS A 8 -3.374 -6.556 0.102 1.00 0.00 H +ATOM 147 HB2 LYS A 8 -3.752 -4.574 -2.087 1.00 0.00 H +ATOM 148 HB3 LYS A 8 -3.594 -6.271 -2.572 1.00 0.00 H +ATOM 149 HG2 LYS A 8 -5.657 -6.753 -1.911 1.00 0.00 H +ATOM 150 HG3 LYS A 8 -5.512 -5.922 -0.377 1.00 0.00 H +ATOM 151 HD2 LYS A 8 -6.243 -3.889 -1.277 1.00 0.00 H +ATOM 152 HD3 LYS A 8 -5.872 -4.334 -2.938 1.00 0.00 H +ATOM 153 HE2 LYS A 8 -7.798 -5.556 -3.178 1.00 0.00 H +ATOM 154 HE3 LYS A 8 -7.897 -5.991 -1.480 1.00 0.00 H +ATOM 155 HZ1 LYS A 8 -8.685 -3.817 -0.999 1.00 0.00 H +ATOM 156 HZ2 LYS A 8 -8.405 -3.272 -2.528 1.00 0.00 H +ATOM 157 HZ3 LYS A 8 -9.592 -4.377 -2.248 1.00 0.00 H +ATOM 158 N ASP A 9 -0.639 -5.703 -1.510 1.00 0.00 N +ATOM 159 CA ASP A 9 0.688 -6.202 -1.905 1.00 0.00 C +ATOM 160 C ASP A 9 1.568 -6.674 -0.725 1.00 0.00 C +ATOM 161 O ASP A 9 2.581 -7.332 -0.959 1.00 0.00 O +ATOM 162 CB ASP A 9 1.424 -5.117 -2.708 1.00 0.00 C +ATOM 163 CG ASP A 9 1.030 -5.128 -4.186 1.00 0.00 C +ATOM 164 OD1 ASP A 9 0.004 -4.494 -4.518 1.00 0.00 O +ATOM 165 OD2 ASP A 9 1.768 -5.764 -4.970 1.00 0.00 O +ATOM 166 H ASP A 9 -0.835 -4.715 -1.632 1.00 0.00 H +ATOM 167 HA ASP A 9 0.559 -7.070 -2.554 1.00 0.00 H +ATOM 168 HB2 ASP A 9 1.184 -4.157 -2.293 1.00 0.00 H +ATOM 169 HB3 ASP A 9 2.495 -5.299 -2.651 1.00 0.00 H +ATOM 170 N GLY A 10 1.193 -6.382 0.530 1.00 0.00 N +ATOM 171 CA GLY A 10 1.971 -6.722 1.726 1.00 0.00 C +ATOM 172 C GLY A 10 2.536 -5.512 2.484 1.00 0.00 C +ATOM 173 O GLY A 10 3.434 -5.686 3.319 1.00 0.00 O +ATOM 174 H GLY A 10 0.285 -5.945 0.663 1.00 0.00 H +ATOM 175 HA2 GLY A 10 1.329 -7.276 2.410 1.00 0.00 H +ATOM 176 HA3 GLY A 10 2.805 -7.370 1.457 1.00 0.00 H +ATOM 177 N GLY A 11 2.052 -4.294 2.195 1.00 0.00 N +ATOM 178 CA GLY A 11 2.478 -3.045 2.826 1.00 0.00 C +ATOM 179 C GLY A 11 4.005 -2.879 2.813 1.00 0.00 C +ATOM 180 O GLY A 11 4.582 -2.906 1.721 1.00 0.00 O +ATOM 181 H GLY A 11 1.402 -4.219 1.418 1.00 0.00 H +ATOM 182 HA2 GLY A 11 2.046 -2.213 2.270 1.00 0.00 H +ATOM 183 HA3 GLY A 11 2.084 -3.016 3.839 1.00 0.00 H +ATOM 184 N PRO A 12 4.692 -2.759 3.973 1.00 0.00 N +ATOM 185 CA PRO A 12 6.152 -2.629 4.039 1.00 0.00 C +ATOM 186 C PRO A 12 6.923 -3.746 3.321 1.00 0.00 C +ATOM 187 O PRO A 12 8.027 -3.514 2.831 1.00 0.00 O +ATOM 188 CB PRO A 12 6.510 -2.622 5.531 1.00 0.00 C +ATOM 189 CG PRO A 12 5.218 -2.200 6.225 1.00 0.00 C +ATOM 190 CD PRO A 12 4.129 -2.762 5.317 1.00 0.00 C +ATOM 191 HA PRO A 12 6.435 -1.671 3.598 1.00 0.00 H +ATOM 192 HB2 PRO A 12 6.814 -3.599 5.854 1.00 0.00 H +ATOM 193 HB3 PRO A 12 7.322 -1.925 5.744 1.00 0.00 H +ATOM 194 HG2 PRO A 12 5.154 -2.624 7.209 1.00 0.00 H +ATOM 195 HG3 PRO A 12 5.152 -1.112 6.247 1.00 0.00 H +ATOM 196 HD2 PRO A 12 3.874 -3.761 5.613 1.00 0.00 H +ATOM 197 HD3 PRO A 12 3.237 -2.141 5.389 1.00 0.00 H +ATOM 198 N SER A 13 6.342 -4.949 3.227 1.00 0.00 N +ATOM 199 CA SER A 13 6.953 -6.108 2.565 1.00 0.00 C +ATOM 200 C SER A 13 6.835 -6.089 1.028 1.00 0.00 C +ATOM 201 O SER A 13 7.310 -7.013 0.372 1.00 0.00 O +ATOM 202 CB SER A 13 6.418 -7.407 3.189 1.00 0.00 C +ATOM 203 OG SER A 13 5.049 -7.646 2.925 1.00 0.00 O +ATOM 204 H SER A 13 5.398 -5.042 3.586 1.00 0.00 H +ATOM 205 HA SER A 13 8.021 -6.087 2.780 1.00 0.00 H +ATOM 206 HB2 SER A 13 6.986 -8.229 2.798 1.00 0.00 H +ATOM 207 HB3 SER A 13 6.570 -7.367 4.269 1.00 0.00 H +ATOM 208 HG SER A 13 4.491 -6.875 3.179 1.00 0.00 H +ATOM 209 N SER A 14 6.261 -5.024 0.445 1.00 0.00 N +ATOM 210 CA SER A 14 5.991 -4.891 -1.000 1.00 0.00 C +ATOM 211 C SER A 14 7.137 -4.279 -1.817 1.00 0.00 C +ATOM 212 O SER A 14 7.039 -4.212 -3.040 1.00 0.00 O +ATOM 213 CB SER A 14 4.767 -3.997 -1.251 1.00 0.00 C +ATOM 214 OG SER A 14 3.740 -4.198 -0.309 1.00 0.00 O +ATOM 215 H SER A 14 5.896 -4.305 1.059 1.00 0.00 H +ATOM 216 HA SER A 14 5.772 -5.881 -1.404 1.00 0.00 H +ATOM 217 HB2 SER A 14 5.077 -2.971 -1.206 1.00 0.00 H +ATOM 218 HB3 SER A 14 4.387 -4.198 -2.253 1.00 0.00 H +ATOM 219 HG SER A 14 3.989 -3.688 0.498 1.00 0.00 H +ATOM 220 N GLY A 15 8.190 -3.753 -1.173 1.00 0.00 N +ATOM 221 CA GLY A 15 9.278 -3.048 -1.864 1.00 0.00 C +ATOM 222 C GLY A 15 8.923 -1.636 -2.363 1.00 0.00 C +ATOM 223 O GLY A 15 9.597 -1.125 -3.256 1.00 0.00 O +ATOM 224 H GLY A 15 8.230 -3.874 -0.169 1.00 0.00 H +ATOM 225 HA2 GLY A 15 10.132 -2.963 -1.193 1.00 0.00 H +ATOM 226 HA3 GLY A 15 9.593 -3.638 -2.728 1.00 0.00 H +ATOM 227 N ARG A 16 7.874 -1.002 -1.812 1.00 0.00 N +ATOM 228 CA ARG A 16 7.382 0.330 -2.201 1.00 0.00 C +ATOM 229 C ARG A 16 6.915 1.120 -0.964 1.00 0.00 C +ATOM 230 O ARG A 16 6.231 0.524 -0.128 1.00 0.00 O +ATOM 231 CB ARG A 16 6.224 0.134 -3.199 1.00 0.00 C +ATOM 232 CG ARG A 16 5.717 1.452 -3.807 1.00 0.00 C +ATOM 233 CD ARG A 16 4.513 1.235 -4.737 1.00 0.00 C +ATOM 234 NE ARG A 16 4.760 1.773 -6.087 1.00 0.00 N +ATOM 235 CZ ARG A 16 5.414 1.176 -7.078 1.00 0.00 C +ATOM 236 NH1 ARG A 16 5.904 -0.036 -6.958 1.00 0.00 N +ATOM 237 NH2 ARG A 16 5.592 1.801 -8.218 1.00 0.00 N +ATOM 238 H ARG A 16 7.386 -1.480 -1.068 1.00 0.00 H +ATOM 239 HA ARG A 16 8.193 0.866 -2.695 1.00 0.00 H +ATOM 240 HB2 ARG A 16 6.564 -0.500 -3.995 1.00 0.00 H +ATOM 241 HB3 ARG A 16 5.397 -0.368 -2.693 1.00 0.00 H +ATOM 242 HG2 ARG A 16 5.425 2.110 -3.011 1.00 0.00 H +ATOM 243 HG3 ARG A 16 6.533 1.921 -4.356 1.00 0.00 H +ATOM 244 HD2 ARG A 16 4.318 0.183 -4.813 1.00 0.00 H +ATOM 245 HD3 ARG A 16 3.650 1.750 -4.307 1.00 0.00 H +ATOM 246 HE ARG A 16 4.417 2.701 -6.269 1.00 0.00 H +ATOM 247 HH11 ARG A 16 5.763 -0.524 -6.091 1.00 0.00 H +ATOM 248 HH12 ARG A 16 6.395 -0.483 -7.711 1.00 0.00 H +ATOM 249 HH21 ARG A 16 5.241 2.733 -8.353 1.00 0.00 H +ATOM 250 HH22 ARG A 16 6.087 1.345 -8.963 1.00 0.00 H +ATOM 251 N PRO A 17 7.201 2.434 -0.845 1.00 0.00 N +ATOM 252 CA PRO A 17 6.709 3.260 0.266 1.00 0.00 C +ATOM 253 C PRO A 17 5.174 3.417 0.252 1.00 0.00 C +ATOM 254 O PRO A 17 4.553 3.245 -0.801 1.00 0.00 O +ATOM 255 CB PRO A 17 7.409 4.616 0.102 1.00 0.00 C +ATOM 256 CG PRO A 17 7.686 4.697 -1.397 1.00 0.00 C +ATOM 257 CD PRO A 17 7.996 3.247 -1.757 1.00 0.00 C +ATOM 258 HA PRO A 17 7.014 2.807 1.209 1.00 0.00 H +ATOM 259 HB2 PRO A 17 6.770 5.418 0.418 1.00 0.00 H +ATOM 260 HB3 PRO A 17 8.355 4.606 0.646 1.00 0.00 H +ATOM 261 HG2 PRO A 17 6.826 5.053 -1.931 1.00 0.00 H +ATOM 262 HG3 PRO A 17 8.523 5.360 -1.621 1.00 0.00 H +ATOM 263 HD2 PRO A 17 7.719 3.047 -2.774 1.00 0.00 H +ATOM 264 HD3 PRO A 17 9.056 3.045 -1.589 1.00 0.00 H +ATOM 265 N PRO A 18 4.551 3.769 1.395 1.00 0.00 N +ATOM 266 CA PRO A 18 3.107 3.972 1.479 1.00 0.00 C +ATOM 267 C PRO A 18 2.667 5.246 0.736 1.00 0.00 C +ATOM 268 O PRO A 18 3.406 6.231 0.715 1.00 0.00 O +ATOM 269 CB PRO A 18 2.790 4.070 2.975 1.00 0.00 C +ATOM 270 CG PRO A 18 4.088 4.608 3.577 1.00 0.00 C +ATOM 271 CD PRO A 18 5.169 3.986 2.696 1.00 0.00 C +ATOM 272 HA PRO A 18 2.605 3.104 1.061 1.00 0.00 H +ATOM 273 HB2 PRO A 18 1.976 4.746 3.152 1.00 0.00 H +ATOM 274 HB3 PRO A 18 2.591 3.076 3.371 1.00 0.00 H +ATOM 275 HG2 PRO A 18 4.120 5.679 3.526 1.00 0.00 H +ATOM 276 HG3 PRO A 18 4.200 4.315 4.621 1.00 0.00 H +ATOM 277 HD2 PRO A 18 6.005 4.652 2.605 1.00 0.00 H +ATOM 278 HD3 PRO A 18 5.478 3.028 3.113 1.00 0.00 H +ATOM 279 N PRO A 19 1.453 5.261 0.157 1.00 0.00 N +ATOM 280 CA PRO A 19 0.895 6.437 -0.497 1.00 0.00 C +ATOM 281 C PRO A 19 0.313 7.426 0.527 1.00 0.00 C +ATOM 282 O PRO A 19 -0.289 7.024 1.526 1.00 0.00 O +ATOM 283 CB PRO A 19 -0.191 5.879 -1.419 1.00 0.00 C +ATOM 284 CG PRO A 19 -0.709 4.662 -0.648 1.00 0.00 C +ATOM 285 CD PRO A 19 0.528 4.140 0.072 1.00 0.00 C +ATOM 286 HA PRO A 19 1.661 6.937 -1.093 1.00 0.00 H +ATOM 287 HB2 PRO A 19 -0.972 6.598 -1.574 1.00 0.00 H +ATOM 288 HB3 PRO A 19 0.264 5.549 -2.354 1.00 0.00 H +ATOM 289 HG2 PRO A 19 -1.469 4.948 0.054 1.00 0.00 H +ATOM 290 HG3 PRO A 19 -1.113 3.904 -1.316 1.00 0.00 H +ATOM 291 HD2 PRO A 19 0.269 3.796 1.055 1.00 0.00 H +ATOM 292 HD3 PRO A 19 0.983 3.342 -0.516 1.00 0.00 H +ATOM 293 N SER A 20 0.435 8.721 0.221 1.00 0.00 N +ATOM 294 CA SER A 20 -0.096 9.858 0.986 1.00 0.00 C +ATOM 295 C SER A 20 -0.738 10.863 0.030 1.00 0.00 C +ATOM 296 O SER A 20 0.078 11.508 -0.677 1.00 0.00 O +ATOM 297 CB SER A 20 1.036 10.515 1.790 1.00 0.00 C +ATOM 298 OG SER A 20 1.921 11.080 0.848 1.00 0.00 O +ATOM 299 OXT SER A 20 -1.985 10.935 0.010 1.00 0.00 O +ATOM 300 H SER A 20 0.966 8.976 -0.599 1.00 0.00 H +ATOM 301 HA SER A 20 -0.871 9.518 1.672 1.00 0.00 H +ATOM 302 HB2 SER A 20 0.640 11.279 2.431 1.00 0.00 H +ATOM 303 HB3 SER A 20 1.548 9.780 2.415 1.00 0.00 H +ATOM 304 HG SER A 20 1.284 11.357 0.104 1.00 0.00 H +TER 305 SER A 20 +ENDMDL +MODEL 16 +ATOM 1 N ASN A 1 -8.985 3.821 -0.843 1.00 0.00 N +ATOM 2 CA ASN A 1 -8.461 2.997 -1.957 1.00 0.00 C +ATOM 3 C ASN A 1 -6.942 2.892 -1.960 1.00 0.00 C +ATOM 4 O ASN A 1 -6.453 1.798 -1.714 1.00 0.00 O +ATOM 5 CB ASN A 1 -9.056 3.439 -3.298 1.00 0.00 C +ATOM 6 CG ASN A 1 -10.516 3.025 -3.296 1.00 0.00 C +ATOM 7 OD1 ASN A 1 -11.303 3.596 -2.558 1.00 0.00 O +ATOM 8 ND2 ASN A 1 -10.879 1.968 -3.997 1.00 0.00 N +ATOM 9 H1 ASN A 1 -8.630 3.491 0.044 1.00 0.00 H +ATOM 10 H2 ASN A 1 -8.733 4.791 -0.971 1.00 0.00 H +ATOM 11 H3 ASN A 1 -9.999 3.760 -0.843 1.00 0.00 H +ATOM 12 HA ASN A 1 -8.800 1.972 -1.795 1.00 0.00 H +ATOM 13 HB2 ASN A 1 -8.975 4.504 -3.404 1.00 0.00 H +ATOM 14 HB3 ASN A 1 -8.543 2.956 -4.125 1.00 0.00 H +ATOM 15 HD21 ASN A 1 -10.234 1.458 -4.583 1.00 0.00 H +ATOM 16 HD22 ASN A 1 -11.851 1.711 -3.928 1.00 0.00 H +ATOM 17 N LEU A 2 -6.201 3.988 -2.170 1.00 0.00 N +ATOM 18 CA LEU A 2 -4.729 4.023 -2.199 1.00 0.00 C +ATOM 19 C LEU A 2 -4.037 3.168 -1.116 1.00 0.00 C +ATOM 20 O LEU A 2 -3.314 2.226 -1.445 1.00 0.00 O +ATOM 21 CB LEU A 2 -4.249 5.491 -2.208 1.00 0.00 C +ATOM 22 CG LEU A 2 -4.830 6.411 -1.102 1.00 0.00 C +ATOM 23 CD1 LEU A 2 -3.744 6.981 -0.191 1.00 0.00 C +ATOM 24 CD2 LEU A 2 -5.610 7.577 -1.716 1.00 0.00 C +ATOM 25 H LEU A 2 -6.656 4.854 -2.419 1.00 0.00 H +ATOM 26 HA LEU A 2 -4.416 3.587 -3.149 1.00 0.00 H +ATOM 27 HB2 LEU A 2 -3.181 5.487 -2.102 1.00 0.00 H +ATOM 28 HB3 LEU A 2 -4.495 5.911 -3.186 1.00 0.00 H +ATOM 29 HG LEU A 2 -5.519 5.848 -0.473 1.00 0.00 H +ATOM 30 HD11 LEU A 2 -3.233 6.180 0.339 1.00 0.00 H +ATOM 31 HD12 LEU A 2 -3.013 7.542 -0.773 1.00 0.00 H +ATOM 32 HD13 LEU A 2 -4.187 7.648 0.549 1.00 0.00 H +ATOM 33 HD21 LEU A 2 -4.940 8.203 -2.305 1.00 0.00 H +ATOM 34 HD22 LEU A 2 -6.406 7.203 -2.358 1.00 0.00 H +ATOM 35 HD23 LEU A 2 -6.050 8.182 -0.924 1.00 0.00 H +ATOM 36 N TYR A 3 -4.276 3.462 0.168 1.00 0.00 N +ATOM 37 CA TYR A 3 -3.662 2.734 1.282 1.00 0.00 C +ATOM 38 C TYR A 3 -4.055 1.248 1.304 1.00 0.00 C +ATOM 39 O TYR A 3 -3.199 0.393 1.521 1.00 0.00 O +ATOM 40 CB TYR A 3 -4.017 3.443 2.599 1.00 0.00 C +ATOM 41 CG TYR A 3 -3.241 2.974 3.819 1.00 0.00 C +ATOM 42 CD1 TYR A 3 -1.832 2.899 3.785 1.00 0.00 C +ATOM 43 CD2 TYR A 3 -3.928 2.662 5.010 1.00 0.00 C +ATOM 44 CE1 TYR A 3 -1.115 2.469 4.918 1.00 0.00 C +ATOM 45 CE2 TYR A 3 -3.214 2.261 6.153 1.00 0.00 C +ATOM 46 CZ TYR A 3 -1.810 2.142 6.104 1.00 0.00 C +ATOM 47 OH TYR A 3 -1.150 1.670 7.197 1.00 0.00 O +ATOM 48 H TYR A 3 -4.837 4.272 0.378 1.00 0.00 H +ATOM 49 HA TYR A 3 -2.581 2.779 1.145 1.00 0.00 H +ATOM 50 HB2 TYR A 3 -3.831 4.492 2.471 1.00 0.00 H +ATOM 51 HB3 TYR A 3 -5.087 3.318 2.784 1.00 0.00 H +ATOM 52 HD1 TYR A 3 -1.288 3.179 2.895 1.00 0.00 H +ATOM 53 HD2 TYR A 3 -5.005 2.735 5.060 1.00 0.00 H +ATOM 54 HE1 TYR A 3 -0.037 2.418 4.887 1.00 0.00 H +ATOM 55 HE2 TYR A 3 -3.725 2.015 7.071 1.00 0.00 H +ATOM 56 HH TYR A 3 -0.473 1.035 6.968 1.00 0.00 H +ATOM 57 N ILE A 4 -5.324 0.935 1.003 1.00 0.00 N +ATOM 58 CA ILE A 4 -5.835 -0.433 0.848 1.00 0.00 C +ATOM 59 C ILE A 4 -5.070 -1.165 -0.259 1.00 0.00 C +ATOM 60 O ILE A 4 -4.556 -2.249 -0.010 1.00 0.00 O +ATOM 61 CB ILE A 4 -7.373 -0.454 0.628 1.00 0.00 C +ATOM 62 CG1 ILE A 4 -8.119 0.069 1.882 1.00 0.00 C +ATOM 63 CG2 ILE A 4 -7.865 -1.878 0.304 1.00 0.00 C +ATOM 64 CD1 ILE A 4 -8.406 1.577 1.860 1.00 0.00 C +ATOM 65 H ILE A 4 -5.933 1.699 0.766 1.00 0.00 H +ATOM 66 HA ILE A 4 -5.626 -0.976 1.772 1.00 0.00 H +ATOM 67 HB ILE A 4 -7.639 0.170 -0.222 1.00 0.00 H +ATOM 68 HG12 ILE A 4 -9.055 -0.451 1.958 1.00 0.00 H +ATOM 69 HG13 ILE A 4 -7.537 -0.172 2.773 1.00 0.00 H +ATOM 70 HG21 ILE A 4 -7.467 -2.211 -0.654 1.00 0.00 H +ATOM 71 HG22 ILE A 4 -7.552 -2.574 1.084 1.00 0.00 H +ATOM 72 HG23 ILE A 4 -8.953 -1.892 0.229 1.00 0.00 H +ATOM 73 HD11 ILE A 4 -7.613 2.129 1.361 1.00 0.00 H +ATOM 74 HD12 ILE A 4 -9.347 1.759 1.338 1.00 0.00 H +ATOM 75 HD13 ILE A 4 -8.496 1.941 2.884 1.00 0.00 H +ATOM 76 N GLN A 5 -4.953 -0.577 -1.456 1.00 0.00 N +ATOM 77 CA GLN A 5 -4.193 -1.137 -2.578 1.00 0.00 C +ATOM 78 C GLN A 5 -2.737 -1.444 -2.205 1.00 0.00 C +ATOM 79 O GLN A 5 -2.269 -2.544 -2.502 1.00 0.00 O +ATOM 80 CB GLN A 5 -4.275 -0.188 -3.786 1.00 0.00 C +ATOM 81 CG GLN A 5 -5.565 -0.416 -4.589 1.00 0.00 C +ATOM 82 CD GLN A 5 -5.973 0.808 -5.398 1.00 0.00 C +ATOM 83 OE1 GLN A 5 -7.023 1.388 -5.178 1.00 0.00 O +ATOM 84 NE2 GLN A 5 -5.173 1.247 -6.352 1.00 0.00 N +ATOM 85 H GLN A 5 -5.394 0.332 -1.576 1.00 0.00 H +ATOM 86 HA GLN A 5 -4.644 -2.090 -2.855 1.00 0.00 H +ATOM 87 HB2 GLN A 5 -4.256 0.826 -3.436 1.00 0.00 H +ATOM 88 HB3 GLN A 5 -3.423 -0.354 -4.446 1.00 0.00 H +ATOM 89 HG2 GLN A 5 -5.411 -1.237 -5.262 1.00 0.00 H +ATOM 90 HG3 GLN A 5 -6.383 -0.657 -3.908 1.00 0.00 H +ATOM 91 HE21 GLN A 5 -4.298 0.808 -6.577 1.00 0.00 H +ATOM 92 HE22 GLN A 5 -5.526 2.044 -6.855 1.00 0.00 H +ATOM 93 N TRP A 6 -2.045 -0.512 -1.537 1.00 0.00 N +ATOM 94 CA TRP A 6 -0.676 -0.717 -1.051 1.00 0.00 C +ATOM 95 C TRP A 6 -0.574 -1.823 0.011 1.00 0.00 C +ATOM 96 O TRP A 6 0.277 -2.708 -0.097 1.00 0.00 O +ATOM 97 CB TRP A 6 -0.129 0.610 -0.523 1.00 0.00 C +ATOM 98 CG TRP A 6 1.281 0.547 -0.017 1.00 0.00 C +ATOM 99 CD1 TRP A 6 2.388 0.529 -0.785 1.00 0.00 C +ATOM 100 CD2 TRP A 6 1.751 0.483 1.369 1.00 0.00 C +ATOM 101 NE1 TRP A 6 3.510 0.450 0.021 1.00 0.00 N +ATOM 102 CE2 TRP A 6 3.175 0.431 1.351 1.00 0.00 C +ATOM 103 CE3 TRP A 6 1.129 0.466 2.636 1.00 0.00 C +ATOM 104 CZ2 TRP A 6 3.949 0.390 2.518 1.00 0.00 C +ATOM 105 CZ3 TRP A 6 1.894 0.408 3.818 1.00 0.00 C +ATOM 106 CH2 TRP A 6 3.300 0.384 3.763 1.00 0.00 C +ATOM 107 H TRP A 6 -2.501 0.381 -1.357 1.00 0.00 H +ATOM 108 HA TRP A 6 -0.053 -1.031 -1.891 1.00 0.00 H +ATOM 109 HB2 TRP A 6 -0.167 1.328 -1.319 1.00 0.00 H +ATOM 110 HB3 TRP A 6 -0.772 0.969 0.281 1.00 0.00 H +ATOM 111 HD1 TRP A 6 2.399 0.570 -1.868 1.00 0.00 H +ATOM 112 HE1 TRP A 6 4.480 0.455 -0.290 1.00 0.00 H +ATOM 113 HE3 TRP A 6 0.051 0.501 2.690 1.00 0.00 H +ATOM 114 HZ2 TRP A 6 5.027 0.361 2.446 1.00 0.00 H +ATOM 115 HZ3 TRP A 6 1.403 0.391 4.779 1.00 0.00 H +ATOM 116 HH2 TRP A 6 3.881 0.356 4.673 1.00 0.00 H +ATOM 117 N LEU A 7 -1.457 -1.813 1.020 1.00 0.00 N +ATOM 118 CA LEU A 7 -1.515 -2.880 2.022 1.00 0.00 C +ATOM 119 C LEU A 7 -1.825 -4.246 1.392 1.00 0.00 C +ATOM 120 O LEU A 7 -1.201 -5.233 1.781 1.00 0.00 O +ATOM 121 CB LEU A 7 -2.540 -2.533 3.116 1.00 0.00 C +ATOM 122 CG LEU A 7 -2.096 -1.425 4.093 1.00 0.00 C +ATOM 123 CD1 LEU A 7 -3.250 -1.130 5.052 1.00 0.00 C +ATOM 124 CD2 LEU A 7 -0.870 -1.826 4.923 1.00 0.00 C +ATOM 125 H LEU A 7 -2.129 -1.050 1.079 1.00 0.00 H +ATOM 126 HA LEU A 7 -0.530 -2.978 2.476 1.00 0.00 H +ATOM 127 HB2 LEU A 7 -3.444 -2.212 2.636 1.00 0.00 H +ATOM 128 HB3 LEU A 7 -2.739 -3.435 3.698 1.00 0.00 H +ATOM 129 HG LEU A 7 -1.858 -0.515 3.546 1.00 0.00 H +ATOM 130 HD11 LEU A 7 -4.089 -0.709 4.497 1.00 0.00 H +ATOM 131 HD12 LEU A 7 -3.566 -2.044 5.557 1.00 0.00 H +ATOM 132 HD13 LEU A 7 -2.934 -0.410 5.803 1.00 0.00 H +ATOM 133 HD21 LEU A 7 -1.062 -2.759 5.451 1.00 0.00 H +ATOM 134 HD22 LEU A 7 0.000 -1.946 4.281 1.00 0.00 H +ATOM 135 HD23 LEU A 7 -0.647 -1.045 5.648 1.00 0.00 H +ATOM 136 N LYS A 8 -2.718 -4.307 0.394 1.00 0.00 N +ATOM 137 CA LYS A 8 -3.085 -5.532 -0.333 1.00 0.00 C +ATOM 138 C LYS A 8 -1.882 -6.223 -0.984 1.00 0.00 C +ATOM 139 O LYS A 8 -1.848 -7.448 -1.047 1.00 0.00 O +ATOM 140 CB LYS A 8 -4.149 -5.208 -1.398 1.00 0.00 C +ATOM 141 CG LYS A 8 -4.972 -6.445 -1.780 1.00 0.00 C +ATOM 142 CD LYS A 8 -5.913 -6.206 -2.971 1.00 0.00 C +ATOM 143 CE LYS A 8 -5.170 -6.233 -4.317 1.00 0.00 C +ATOM 144 NZ LYS A 8 -4.735 -4.890 -4.767 1.00 0.00 N +ATOM 145 H LYS A 8 -3.216 -3.446 0.170 1.00 0.00 H +ATOM 146 HA LYS A 8 -3.506 -6.236 0.387 1.00 0.00 H +ATOM 147 HB2 LYS A 8 -4.811 -4.457 -1.010 1.00 0.00 H +ATOM 148 HB3 LYS A 8 -3.649 -4.799 -2.275 1.00 0.00 H +ATOM 149 HG2 LYS A 8 -4.296 -7.239 -2.034 1.00 0.00 H +ATOM 150 HG3 LYS A 8 -5.577 -6.724 -0.915 1.00 0.00 H +ATOM 151 HD2 LYS A 8 -6.664 -6.972 -2.976 1.00 0.00 H +ATOM 152 HD3 LYS A 8 -6.467 -5.274 -2.843 1.00 0.00 H +ATOM 153 HE2 LYS A 8 -4.303 -6.857 -4.216 1.00 0.00 H +ATOM 154 HE3 LYS A 8 -5.841 -6.664 -5.066 1.00 0.00 H +ATOM 155 HZ1 LYS A 8 -5.540 -4.295 -4.905 1.00 0.00 H +ATOM 156 HZ2 LYS A 8 -4.116 -4.470 -4.084 1.00 0.00 H +ATOM 157 HZ3 LYS A 8 -4.232 -4.964 -5.642 1.00 0.00 H +ATOM 158 N ASP A 9 -0.902 -5.444 -1.456 1.00 0.00 N +ATOM 159 CA ASP A 9 0.348 -5.945 -2.038 1.00 0.00 C +ATOM 160 C ASP A 9 1.310 -6.525 -0.977 1.00 0.00 C +ATOM 161 O ASP A 9 2.208 -7.294 -1.310 1.00 0.00 O +ATOM 162 CB ASP A 9 1.013 -4.797 -2.817 1.00 0.00 C +ATOM 163 CG ASP A 9 1.703 -5.285 -4.093 1.00 0.00 C +ATOM 164 OD1 ASP A 9 0.950 -5.620 -5.038 1.00 0.00 O +ATOM 165 OD2 ASP A 9 2.951 -5.273 -4.135 1.00 0.00 O +ATOM 166 H ASP A 9 -1.024 -4.442 -1.395 1.00 0.00 H +ATOM 167 HA ASP A 9 0.107 -6.748 -2.738 1.00 0.00 H +ATOM 168 HB2 ASP A 9 0.261 -4.080 -3.084 1.00 0.00 H +ATOM 169 HB3 ASP A 9 1.722 -4.274 -2.176 1.00 0.00 H +ATOM 170 N GLY A 10 1.095 -6.194 0.306 1.00 0.00 N +ATOM 171 CA GLY A 10 1.925 -6.595 1.444 1.00 0.00 C +ATOM 172 C GLY A 10 2.500 -5.422 2.247 1.00 0.00 C +ATOM 173 O GLY A 10 3.312 -5.648 3.146 1.00 0.00 O +ATOM 174 H GLY A 10 0.256 -5.661 0.510 1.00 0.00 H +ATOM 175 HA2 GLY A 10 1.317 -7.196 2.118 1.00 0.00 H +ATOM 176 HA3 GLY A 10 2.758 -7.207 1.101 1.00 0.00 H +ATOM 177 N GLY A 11 2.118 -4.173 1.938 1.00 0.00 N +ATOM 178 CA GLY A 11 2.643 -2.980 2.600 1.00 0.00 C +ATOM 179 C GLY A 11 4.177 -2.920 2.520 1.00 0.00 C +ATOM 180 O GLY A 11 4.704 -2.996 1.404 1.00 0.00 O +ATOM 181 H GLY A 11 1.494 -4.036 1.148 1.00 0.00 H +ATOM 182 HA2 GLY A 11 2.239 -2.102 2.100 1.00 0.00 H +ATOM 183 HA3 GLY A 11 2.298 -2.976 3.632 1.00 0.00 H +ATOM 184 N PRO A 12 4.917 -2.819 3.647 1.00 0.00 N +ATOM 185 CA PRO A 12 6.382 -2.799 3.646 1.00 0.00 C +ATOM 186 C PRO A 12 7.030 -4.001 2.943 1.00 0.00 C +ATOM 187 O PRO A 12 8.063 -3.835 2.294 1.00 0.00 O +ATOM 188 CB PRO A 12 6.809 -2.746 5.118 1.00 0.00 C +ATOM 189 CG PRO A 12 5.582 -2.203 5.844 1.00 0.00 C +ATOM 190 CD PRO A 12 4.419 -2.739 5.012 1.00 0.00 C +ATOM 191 HA PRO A 12 6.713 -1.886 3.148 1.00 0.00 H +ATOM 192 HB2 PRO A 12 7.061 -3.725 5.477 1.00 0.00 H +ATOM 193 HB3 PRO A 12 7.675 -2.096 5.258 1.00 0.00 H +ATOM 194 HG2 PRO A 12 5.537 -2.571 6.851 1.00 0.00 H +ATOM 195 HG3 PRO A 12 5.587 -1.112 5.807 1.00 0.00 H +ATOM 196 HD2 PRO A 12 4.125 -3.710 5.361 1.00 0.00 H +ATOM 197 HD3 PRO A 12 3.565 -2.068 5.100 1.00 0.00 H +ATOM 198 N SER A 13 6.415 -5.193 3.014 1.00 0.00 N +ATOM 199 CA SER A 13 6.932 -6.420 2.383 1.00 0.00 C +ATOM 200 C SER A 13 7.055 -6.302 0.860 1.00 0.00 C +ATOM 201 O SER A 13 7.865 -6.999 0.255 1.00 0.00 O +ATOM 202 CB SER A 13 6.032 -7.613 2.710 1.00 0.00 C +ATOM 203 OG SER A 13 5.997 -7.832 4.106 1.00 0.00 O +ATOM 204 H SER A 13 5.544 -5.278 3.527 1.00 0.00 H +ATOM 205 HA SER A 13 7.927 -6.625 2.782 1.00 0.00 H +ATOM 206 HB2 SER A 13 5.038 -7.414 2.358 1.00 0.00 H +ATOM 207 HB3 SER A 13 6.424 -8.504 2.218 1.00 0.00 H +ATOM 208 HG SER A 13 5.429 -8.585 4.283 1.00 0.00 H +ATOM 209 N SER A 14 6.287 -5.390 0.254 1.00 0.00 N +ATOM 210 CA SER A 14 6.322 -5.050 -1.172 1.00 0.00 C +ATOM 211 C SER A 14 7.593 -4.289 -1.582 1.00 0.00 C +ATOM 212 O SER A 14 7.834 -4.108 -2.773 1.00 0.00 O +ATOM 213 CB SER A 14 5.101 -4.192 -1.567 1.00 0.00 C +ATOM 214 OG SER A 14 4.017 -4.292 -0.662 1.00 0.00 O +ATOM 215 H SER A 14 5.633 -4.881 0.831 1.00 0.00 H +ATOM 216 HA SER A 14 6.280 -5.977 -1.745 1.00 0.00 H +ATOM 217 HB2 SER A 14 5.409 -3.165 -1.614 1.00 0.00 H +ATOM 218 HB3 SER A 14 4.775 -4.489 -2.563 1.00 0.00 H +ATOM 219 HG SER A 14 4.222 -3.726 0.121 1.00 0.00 H +ATOM 220 N GLY A 15 8.386 -3.785 -0.622 1.00 0.00 N +ATOM 221 CA GLY A 15 9.603 -3.011 -0.885 1.00 0.00 C +ATOM 222 C GLY A 15 9.362 -1.593 -1.427 1.00 0.00 C +ATOM 223 O GLY A 15 10.306 -0.952 -1.881 1.00 0.00 O +ATOM 224 H GLY A 15 8.154 -3.973 0.353 1.00 0.00 H +ATOM 225 HA2 GLY A 15 10.169 -2.923 0.042 1.00 0.00 H +ATOM 226 HA3 GLY A 15 10.220 -3.549 -1.606 1.00 0.00 H +ATOM 227 N ARG A 16 8.117 -1.096 -1.381 1.00 0.00 N +ATOM 228 CA ARG A 16 7.691 0.212 -1.899 1.00 0.00 C +ATOM 229 C ARG A 16 7.091 1.060 -0.764 1.00 0.00 C +ATOM 230 O ARG A 16 6.300 0.516 0.009 1.00 0.00 O +ATOM 231 CB ARG A 16 6.671 -0.025 -3.030 1.00 0.00 C +ATOM 232 CG ARG A 16 6.236 1.275 -3.721 1.00 0.00 C +ATOM 233 CD ARG A 16 5.149 1.034 -4.770 1.00 0.00 C +ATOM 234 NE ARG A 16 4.730 2.310 -5.382 1.00 0.00 N +ATOM 235 CZ ARG A 16 3.684 2.515 -6.172 1.00 0.00 C +ATOM 236 NH1 ARG A 16 2.874 1.539 -6.511 1.00 0.00 N +ATOM 237 NH2 ARG A 16 3.433 3.717 -6.637 1.00 0.00 N +ATOM 238 H ARG A 16 7.418 -1.684 -0.950 1.00 0.00 H +ATOM 239 HA ARG A 16 8.564 0.718 -2.312 1.00 0.00 H +ATOM 240 HB2 ARG A 16 7.115 -0.671 -3.763 1.00 0.00 H +ATOM 241 HB3 ARG A 16 5.791 -0.523 -2.617 1.00 0.00 H +ATOM 242 HG2 ARG A 16 5.857 1.951 -2.979 1.00 0.00 H +ATOM 243 HG3 ARG A 16 7.100 1.731 -4.204 1.00 0.00 H +ATOM 244 HD2 ARG A 16 5.533 0.385 -5.534 1.00 0.00 H +ATOM 245 HD3 ARG A 16 4.293 0.562 -4.283 1.00 0.00 H +ATOM 246 HE ARG A 16 5.293 3.114 -5.162 1.00 0.00 H +ATOM 247 HH11 ARG A 16 3.073 0.618 -6.161 1.00 0.00 H +ATOM 248 HH12 ARG A 16 2.086 1.696 -7.110 1.00 0.00 H +ATOM 249 HH21 ARG A 16 4.029 4.490 -6.397 1.00 0.00 H +ATOM 250 HH22 ARG A 16 2.642 3.867 -7.235 1.00 0.00 H +ATOM 251 N PRO A 17 7.386 2.375 -0.671 1.00 0.00 N +ATOM 252 CA PRO A 17 6.796 3.253 0.346 1.00 0.00 C +ATOM 253 C PRO A 17 5.267 3.389 0.203 1.00 0.00 C +ATOM 254 O PRO A 17 4.733 3.160 -0.887 1.00 0.00 O +ATOM 255 CB PRO A 17 7.495 4.609 0.170 1.00 0.00 C +ATOM 256 CG PRO A 17 7.932 4.600 -1.293 1.00 0.00 C +ATOM 257 CD PRO A 17 8.291 3.135 -1.522 1.00 0.00 C +ATOM 258 HA PRO A 17 7.029 2.854 1.334 1.00 0.00 H +ATOM 259 HB2 PRO A 17 6.817 5.418 0.362 1.00 0.00 H +ATOM 260 HB3 PRO A 17 8.375 4.651 0.813 1.00 0.00 H +ATOM 261 HG2 PRO A 17 7.132 4.909 -1.938 1.00 0.00 H +ATOM 262 HG3 PRO A 17 8.783 5.259 -1.469 1.00 0.00 H +ATOM 263 HD2 PRO A 17 8.148 2.870 -2.552 1.00 0.00 H +ATOM 264 HD3 PRO A 17 9.319 2.954 -1.207 1.00 0.00 H +ATOM 265 N PRO A 18 4.555 3.783 1.280 1.00 0.00 N +ATOM 266 CA PRO A 18 3.107 3.955 1.251 1.00 0.00 C +ATOM 267 C PRO A 18 2.677 5.165 0.399 1.00 0.00 C +ATOM 268 O PRO A 18 3.440 6.118 0.240 1.00 0.00 O +ATOM 269 CB PRO A 18 2.682 4.114 2.714 1.00 0.00 C +ATOM 270 CG PRO A 18 3.920 4.702 3.385 1.00 0.00 C +ATOM 271 CD PRO A 18 5.071 4.058 2.612 1.00 0.00 C +ATOM 272 HA PRO A 18 2.660 3.050 0.846 1.00 0.00 H +ATOM 273 HB2 PRO A 18 1.846 4.781 2.800 1.00 0.00 H +ATOM 274 HB3 PRO A 18 2.472 3.133 3.140 1.00 0.00 H +ATOM 275 HG2 PRO A 18 3.940 5.770 3.288 1.00 0.00 H +ATOM 276 HG3 PRO A 18 3.960 4.460 4.446 1.00 0.00 H +ATOM 277 HD2 PRO A 18 5.906 4.730 2.557 1.00 0.00 H +ATOM 278 HD3 PRO A 18 5.353 3.118 3.092 1.00 0.00 H +ATOM 279 N PRO A 19 1.446 5.145 -0.145 1.00 0.00 N +ATOM 280 CA PRO A 19 0.886 6.247 -0.912 1.00 0.00 C +ATOM 281 C PRO A 19 0.347 7.353 0.009 1.00 0.00 C +ATOM 282 O PRO A 19 -0.657 7.156 0.691 1.00 0.00 O +ATOM 283 CB PRO A 19 -0.216 5.613 -1.764 1.00 0.00 C +ATOM 284 CG PRO A 19 -0.713 4.453 -0.902 1.00 0.00 C +ATOM 285 CD PRO A 19 0.539 4.007 -0.154 1.00 0.00 C +ATOM 286 HA PRO A 19 1.645 6.666 -1.575 1.00 0.00 H +ATOM 287 HB2 PRO A 19 -1.005 6.315 -1.954 1.00 0.00 H +ATOM 288 HB3 PRO A 19 0.222 5.216 -2.681 1.00 0.00 H +ATOM 289 HG2 PRO A 19 -1.473 4.780 -0.218 1.00 0.00 H +ATOM 290 HG3 PRO A 19 -1.118 3.650 -1.516 1.00 0.00 H +ATOM 291 HD2 PRO A 19 0.289 3.725 0.851 1.00 0.00 H +ATOM 292 HD3 PRO A 19 1.012 3.193 -0.700 1.00 0.00 H +ATOM 293 N SER A 20 0.994 8.526 -0.049 1.00 0.00 N +ATOM 294 CA SER A 20 0.653 9.774 0.659 1.00 0.00 C +ATOM 295 C SER A 20 0.918 9.764 2.177 1.00 0.00 C +ATOM 296 O SER A 20 0.442 10.754 2.789 1.00 0.00 O +ATOM 297 CB SER A 20 -0.786 10.208 0.336 1.00 0.00 C +ATOM 298 OG SER A 20 -0.959 11.455 0.965 1.00 0.00 O +ATOM 299 OXT SER A 20 1.603 8.846 2.675 1.00 0.00 O +ATOM 300 H SER A 20 1.867 8.518 -0.553 1.00 0.00 H +ATOM 301 HA SER A 20 1.307 10.553 0.271 1.00 0.00 H +ATOM 302 HB2 SER A 20 -0.919 10.302 -0.725 1.00 0.00 H +ATOM 303 HB3 SER A 20 -1.495 9.494 0.758 1.00 0.00 H +ATOM 304 HG SER A 20 -0.420 11.315 1.824 1.00 0.00 H +TER 305 SER A 20 +ENDMDL +MODEL 17 +ATOM 1 N ASN A 1 -8.598 5.262 -0.292 1.00 0.00 N +ATOM 2 CA ASN A 1 -8.658 3.999 -1.068 1.00 0.00 C +ATOM 3 C ASN A 1 -7.282 3.479 -1.479 1.00 0.00 C +ATOM 4 O ASN A 1 -7.038 2.293 -1.290 1.00 0.00 O +ATOM 5 CB ASN A 1 -9.633 4.090 -2.256 1.00 0.00 C +ATOM 6 CG ASN A 1 -11.034 3.705 -1.797 1.00 0.00 C +ATOM 7 OD1 ASN A 1 -11.203 2.706 -1.121 1.00 0.00 O +ATOM 8 ND2 ASN A 1 -12.056 4.485 -2.091 1.00 0.00 N +ATOM 9 H1 ASN A 1 -7.871 5.210 0.409 1.00 0.00 H +ATOM 10 H2 ASN A 1 -8.409 6.043 -0.906 1.00 0.00 H +ATOM 11 H3 ASN A 1 -9.483 5.425 0.171 1.00 0.00 H +ATOM 12 HA ASN A 1 -9.048 3.224 -0.405 1.00 0.00 H +ATOM 13 HB2 ASN A 1 -9.644 5.095 -2.633 1.00 0.00 H +ATOM 14 HB3 ASN A 1 -9.339 3.378 -3.028 1.00 0.00 H +ATOM 15 HD21 ASN A 1 -11.996 5.318 -2.653 1.00 0.00 H +ATOM 16 HD22 ASN A 1 -12.946 4.132 -1.770 1.00 0.00 H +ATOM 17 N LEU A 2 -6.367 4.322 -1.982 1.00 0.00 N +ATOM 18 CA LEU A 2 -5.025 3.900 -2.419 1.00 0.00 C +ATOM 19 C LEU A 2 -4.243 3.096 -1.364 1.00 0.00 C +ATOM 20 O LEU A 2 -3.570 2.120 -1.698 1.00 0.00 O +ATOM 21 CB LEU A 2 -4.224 5.145 -2.840 1.00 0.00 C +ATOM 22 CG LEU A 2 -4.672 5.767 -4.178 1.00 0.00 C +ATOM 23 CD1 LEU A 2 -3.897 7.063 -4.418 1.00 0.00 C +ATOM 24 CD2 LEU A 2 -4.426 4.814 -5.354 1.00 0.00 C +ATOM 25 H LEU A 2 -6.595 5.288 -2.162 1.00 0.00 H +ATOM 26 HA LEU A 2 -5.133 3.236 -3.278 1.00 0.00 H +ATOM 27 HB2 LEU A 2 -4.329 5.887 -2.073 1.00 0.00 H +ATOM 28 HB3 LEU A 2 -3.170 4.876 -2.925 1.00 0.00 H +ATOM 29 HG LEU A 2 -5.734 6.008 -4.131 1.00 0.00 H +ATOM 30 HD11 LEU A 2 -4.056 7.754 -3.588 1.00 0.00 H +ATOM 31 HD12 LEU A 2 -2.832 6.853 -4.509 1.00 0.00 H +ATOM 32 HD13 LEU A 2 -4.248 7.538 -5.334 1.00 0.00 H +ATOM 33 HD21 LEU A 2 -3.421 4.393 -5.292 1.00 0.00 H +ATOM 34 HD22 LEU A 2 -5.156 4.005 -5.345 1.00 0.00 H +ATOM 35 HD23 LEU A 2 -4.526 5.349 -6.297 1.00 0.00 H +ATOM 36 N TYR A 3 -4.383 3.462 -0.084 1.00 0.00 N +ATOM 37 CA TYR A 3 -3.757 2.758 1.034 1.00 0.00 C +ATOM 38 C TYR A 3 -4.175 1.279 1.120 1.00 0.00 C +ATOM 39 O TYR A 3 -3.350 0.425 1.441 1.00 0.00 O +ATOM 40 CB TYR A 3 -4.083 3.494 2.342 1.00 0.00 C +ATOM 41 CG TYR A 3 -3.021 3.296 3.403 1.00 0.00 C +ATOM 42 CD1 TYR A 3 -1.860 4.092 3.363 1.00 0.00 C +ATOM 43 CD2 TYR A 3 -3.175 2.317 4.405 1.00 0.00 C +ATOM 44 CE1 TYR A 3 -0.846 3.906 4.317 1.00 0.00 C +ATOM 45 CE2 TYR A 3 -2.162 2.132 5.366 1.00 0.00 C +ATOM 46 CZ TYR A 3 -0.992 2.923 5.318 1.00 0.00 C +ATOM 47 OH TYR A 3 0.011 2.729 6.217 1.00 0.00 O +ATOM 48 H TYR A 3 -4.910 4.298 0.109 1.00 0.00 H +ATOM 49 HA TYR A 3 -2.678 2.791 0.884 1.00 0.00 H +ATOM 50 HB2 TYR A 3 -4.169 4.543 2.134 1.00 0.00 H +ATOM 51 HB3 TYR A 3 -5.054 3.166 2.719 1.00 0.00 H +ATOM 52 HD1 TYR A 3 -1.741 4.850 2.600 1.00 0.00 H +ATOM 53 HD2 TYR A 3 -4.067 1.705 4.436 1.00 0.00 H +ATOM 54 HE1 TYR A 3 0.050 4.506 4.296 1.00 0.00 H +ATOM 55 HE2 TYR A 3 -2.281 1.396 6.145 1.00 0.00 H +ATOM 56 HH TYR A 3 -0.092 1.913 6.709 1.00 0.00 H +ATOM 57 N ILE A 4 -5.434 0.963 0.782 1.00 0.00 N +ATOM 58 CA ILE A 4 -5.959 -0.407 0.754 1.00 0.00 C +ATOM 59 C ILE A 4 -5.234 -1.224 -0.323 1.00 0.00 C +ATOM 60 O ILE A 4 -4.791 -2.341 -0.056 1.00 0.00 O +ATOM 61 CB ILE A 4 -7.489 -0.415 0.505 1.00 0.00 C +ATOM 62 CG1 ILE A 4 -8.287 0.574 1.386 1.00 0.00 C +ATOM 63 CG2 ILE A 4 -8.084 -1.834 0.645 1.00 0.00 C +ATOM 64 CD1 ILE A 4 -7.998 0.474 2.893 1.00 0.00 C +ATOM 65 H ILE A 4 -6.027 1.699 0.419 1.00 0.00 H +ATOM 66 HA ILE A 4 -5.758 -0.874 1.720 1.00 0.00 H +ATOM 67 HB ILE A 4 -7.652 -0.114 -0.531 1.00 0.00 H +ATOM 68 HG12 ILE A 4 -8.051 1.571 1.066 1.00 0.00 H +ATOM 69 HG13 ILE A 4 -9.351 0.403 1.219 1.00 0.00 H +ATOM 70 HG21 ILE A 4 -7.310 -2.600 0.624 1.00 0.00 H +ATOM 71 HG22 ILE A 4 -8.633 -1.940 1.582 1.00 0.00 H +ATOM 72 HG23 ILE A 4 -8.777 -2.015 -0.176 1.00 0.00 H +ATOM 73 HD11 ILE A 4 -7.679 -0.532 3.164 1.00 0.00 H +ATOM 74 HD12 ILE A 4 -7.214 1.179 3.165 1.00 0.00 H +ATOM 75 HD13 ILE A 4 -8.902 0.718 3.451 1.00 0.00 H +ATOM 76 N GLN A 5 -5.082 -0.658 -1.529 1.00 0.00 N +ATOM 77 CA GLN A 5 -4.322 -1.281 -2.612 1.00 0.00 C +ATOM 78 C GLN A 5 -2.862 -1.527 -2.213 1.00 0.00 C +ATOM 79 O GLN A 5 -2.351 -2.625 -2.425 1.00 0.00 O +ATOM 80 CB GLN A 5 -4.396 -0.435 -3.898 1.00 0.00 C +ATOM 81 CG GLN A 5 -5.293 -1.073 -4.971 1.00 0.00 C +ATOM 82 CD GLN A 5 -4.805 -0.728 -6.375 1.00 0.00 C +ATOM 83 OE1 GLN A 5 -4.736 0.424 -6.768 1.00 0.00 O +ATOM 84 NE2 GLN A 5 -4.436 -1.716 -7.169 1.00 0.00 N +ATOM 85 H GLN A 5 -5.436 0.282 -1.657 1.00 0.00 H +ATOM 86 HA GLN A 5 -4.757 -2.263 -2.799 1.00 0.00 H +ATOM 87 HB2 GLN A 5 -4.789 0.532 -3.651 1.00 0.00 H +ATOM 88 HB3 GLN A 5 -3.390 -0.336 -4.310 1.00 0.00 H +ATOM 89 HG2 GLN A 5 -5.281 -2.139 -4.848 1.00 0.00 H +ATOM 90 HG3 GLN A 5 -6.316 -0.718 -4.849 1.00 0.00 H +ATOM 91 HE21 GLN A 5 -4.461 -2.680 -6.883 1.00 0.00 H +ATOM 92 HE22 GLN A 5 -4.101 -1.424 -8.072 1.00 0.00 H +ATOM 93 N TRP A 6 -2.207 -0.530 -1.604 1.00 0.00 N +ATOM 94 CA TRP A 6 -0.837 -0.672 -1.104 1.00 0.00 C +ATOM 95 C TRP A 6 -0.705 -1.777 -0.043 1.00 0.00 C +ATOM 96 O TRP A 6 0.217 -2.593 -0.114 1.00 0.00 O +ATOM 97 CB TRP A 6 -0.347 0.675 -0.564 1.00 0.00 C +ATOM 98 CG TRP A 6 1.007 0.616 0.072 1.00 0.00 C +ATOM 99 CD1 TRP A 6 2.190 0.555 -0.580 1.00 0.00 C +ATOM 100 CD2 TRP A 6 1.332 0.576 1.493 1.00 0.00 C +ATOM 101 NE1 TRP A 6 3.222 0.465 0.337 1.00 0.00 N +ATOM 102 CE2 TRP A 6 2.749 0.489 1.629 1.00 0.00 C +ATOM 103 CE3 TRP A 6 0.572 0.607 2.680 1.00 0.00 C +ATOM 104 CZ2 TRP A 6 3.387 0.464 2.876 1.00 0.00 C +ATOM 105 CZ3 TRP A 6 1.201 0.554 3.937 1.00 0.00 C +ATOM 106 CH2 TRP A 6 2.602 0.496 4.040 1.00 0.00 C +ATOM 107 H TRP A 6 -2.687 0.361 -1.494 1.00 0.00 H +ATOM 108 HA TRP A 6 -0.192 -0.960 -1.936 1.00 0.00 H +ATOM 109 HB2 TRP A 6 -0.308 1.372 -1.379 1.00 0.00 H +ATOM 110 HB3 TRP A 6 -1.057 1.038 0.178 1.00 0.00 H +ATOM 111 HD1 TRP A 6 2.302 0.568 -1.656 1.00 0.00 H +ATOM 112 HE1 TRP A 6 4.213 0.428 0.099 1.00 0.00 H +ATOM 113 HE3 TRP A 6 -0.505 0.677 2.615 1.00 0.00 H +ATOM 114 HZ2 TRP A 6 4.464 0.415 2.929 1.00 0.00 H +ATOM 115 HZ3 TRP A 6 0.600 0.564 4.832 1.00 0.00 H +ATOM 116 HH2 TRP A 6 3.067 0.481 5.014 1.00 0.00 H +ATOM 117 N LEU A 7 -1.635 -1.843 0.921 1.00 0.00 N +ATOM 118 CA LEU A 7 -1.657 -2.918 1.915 1.00 0.00 C +ATOM 119 C LEU A 7 -1.850 -4.300 1.279 1.00 0.00 C +ATOM 120 O LEU A 7 -1.189 -5.245 1.705 1.00 0.00 O +ATOM 121 CB LEU A 7 -2.734 -2.654 2.978 1.00 0.00 C +ATOM 122 CG LEU A 7 -2.362 -1.573 4.010 1.00 0.00 C +ATOM 123 CD1 LEU A 7 -3.534 -1.401 4.981 1.00 0.00 C +ATOM 124 CD2 LEU A 7 -1.117 -1.940 4.827 1.00 0.00 C +ATOM 125 H LEU A 7 -2.351 -1.119 0.959 1.00 0.00 H +ATOM 126 HA LEU A 7 -0.679 -2.957 2.392 1.00 0.00 H +ATOM 127 HB2 LEU A 7 -3.631 -2.344 2.477 1.00 0.00 H +ATOM 128 HB3 LEU A 7 -2.923 -3.583 3.518 1.00 0.00 H +ATOM 129 HG LEU A 7 -2.187 -0.627 3.506 1.00 0.00 H +ATOM 130 HD11 LEU A 7 -4.451 -1.204 4.427 1.00 0.00 H +ATOM 131 HD12 LEU A 7 -3.657 -2.303 5.579 1.00 0.00 H +ATOM 132 HD13 LEU A 7 -3.341 -0.562 5.647 1.00 0.00 H +ATOM 133 HD21 LEU A 7 -1.237 -2.927 5.274 1.00 0.00 H +ATOM 134 HD22 LEU A 7 -0.232 -1.942 4.191 1.00 0.00 H +ATOM 135 HD23 LEU A 7 -0.962 -1.204 5.615 1.00 0.00 H +ATOM 136 N LYS A 8 -2.693 -4.415 0.243 1.00 0.00 N +ATOM 137 CA LYS A 8 -2.927 -5.668 -0.497 1.00 0.00 C +ATOM 138 C LYS A 8 -1.653 -6.277 -1.088 1.00 0.00 C +ATOM 139 O LYS A 8 -1.528 -7.496 -1.107 1.00 0.00 O +ATOM 140 CB LYS A 8 -3.973 -5.432 -1.602 1.00 0.00 C +ATOM 141 CG LYS A 8 -5.211 -6.326 -1.434 1.00 0.00 C +ATOM 142 CD LYS A 8 -6.475 -5.580 -1.872 1.00 0.00 C +ATOM 143 CE LYS A 8 -7.711 -6.420 -1.540 1.00 0.00 C +ATOM 144 NZ LYS A 8 -8.949 -5.755 -2.006 1.00 0.00 N +ATOM 145 H LYS A 8 -3.216 -3.585 -0.025 1.00 0.00 H +ATOM 146 HA LYS A 8 -3.295 -6.407 0.215 1.00 0.00 H +ATOM 147 HB2 LYS A 8 -4.282 -4.405 -1.571 1.00 0.00 H +ATOM 148 HB3 LYS A 8 -3.535 -5.617 -2.585 1.00 0.00 H +ATOM 149 HG2 LYS A 8 -5.095 -7.207 -2.035 1.00 0.00 H +ATOM 150 HG3 LYS A 8 -5.330 -6.615 -0.390 1.00 0.00 H +ATOM 151 HD2 LYS A 8 -6.532 -4.641 -1.355 1.00 0.00 H +ATOM 152 HD3 LYS A 8 -6.425 -5.375 -2.942 1.00 0.00 H +ATOM 153 HE2 LYS A 8 -7.625 -7.376 -2.020 1.00 0.00 H +ATOM 154 HE3 LYS A 8 -7.744 -6.556 -0.456 1.00 0.00 H +ATOM 155 HZ1 LYS A 8 -8.883 -4.758 -1.855 1.00 0.00 H +ATOM 156 HZ2 LYS A 8 -9.086 -5.926 -2.995 1.00 0.00 H +ATOM 157 HZ3 LYS A 8 -9.750 -6.109 -1.500 1.00 0.00 H +ATOM 158 N ASP A 9 -0.716 -5.437 -1.534 1.00 0.00 N +ATOM 159 CA ASP A 9 0.596 -5.859 -2.042 1.00 0.00 C +ATOM 160 C ASP A 9 1.481 -6.488 -0.941 1.00 0.00 C +ATOM 161 O ASP A 9 2.363 -7.284 -1.255 1.00 0.00 O +ATOM 162 CB ASP A 9 1.292 -4.644 -2.692 1.00 0.00 C +ATOM 163 CG ASP A 9 2.005 -4.972 -4.012 1.00 0.00 C +ATOM 164 OD1 ASP A 9 1.283 -5.311 -4.975 1.00 0.00 O +ATOM 165 OD2 ASP A 9 3.245 -4.797 -4.077 1.00 0.00 O +ATOM 166 H ASP A 9 -0.933 -4.447 -1.525 1.00 0.00 H +ATOM 167 HA ASP A 9 0.434 -6.621 -2.808 1.00 0.00 H +ATOM 168 HB2 ASP A 9 0.551 -3.893 -2.885 1.00 0.00 H +ATOM 169 HB3 ASP A 9 2.002 -4.208 -1.987 1.00 0.00 H +ATOM 170 N GLY A 10 1.219 -6.165 0.339 1.00 0.00 N +ATOM 171 CA GLY A 10 2.000 -6.593 1.510 1.00 0.00 C +ATOM 172 C GLY A 10 2.552 -5.441 2.368 1.00 0.00 C +ATOM 173 O GLY A 10 3.421 -5.669 3.222 1.00 0.00 O +ATOM 174 H GLY A 10 0.387 -5.611 0.509 1.00 0.00 H +ATOM 175 HA2 GLY A 10 1.359 -7.205 2.144 1.00 0.00 H +ATOM 176 HA3 GLY A 10 2.843 -7.202 1.190 1.00 0.00 H +ATOM 177 N GLY A 11 2.100 -4.200 2.127 1.00 0.00 N +ATOM 178 CA GLY A 11 2.565 -3.016 2.844 1.00 0.00 C +ATOM 179 C GLY A 11 4.085 -2.823 2.696 1.00 0.00 C +ATOM 180 O GLY A 11 4.601 -2.976 1.581 1.00 0.00 O +ATOM 181 H GLY A 11 1.469 -4.062 1.347 1.00 0.00 H +ATOM 182 HA2 GLY A 11 2.060 -2.134 2.448 1.00 0.00 H +ATOM 183 HA3 GLY A 11 2.283 -3.131 3.889 1.00 0.00 H +ATOM 184 N PRO A 12 4.824 -2.520 3.787 1.00 0.00 N +ATOM 185 CA PRO A 12 6.277 -2.307 3.754 1.00 0.00 C +ATOM 186 C PRO A 12 7.081 -3.495 3.201 1.00 0.00 C +ATOM 187 O PRO A 12 8.203 -3.312 2.737 1.00 0.00 O +ATOM 188 CB PRO A 12 6.699 -2.018 5.204 1.00 0.00 C +ATOM 189 CG PRO A 12 5.406 -1.656 5.929 1.00 0.00 C +ATOM 190 CD PRO A 12 4.342 -2.429 5.160 1.00 0.00 C +ATOM 191 HA PRO A 12 6.486 -1.429 3.142 1.00 0.00 H +ATOM 192 HB2 PRO A 12 7.148 -2.886 5.646 1.00 0.00 H +ATOM 193 HB3 PRO A 12 7.420 -1.199 5.254 1.00 0.00 H +ATOM 194 HG2 PRO A 12 5.441 -1.968 6.955 1.00 0.00 H +ATOM 195 HG3 PRO A 12 5.218 -0.586 5.838 1.00 0.00 H +ATOM 196 HD2 PRO A 12 4.219 -3.410 5.578 1.00 0.00 H +ATOM 197 HD3 PRO A 12 3.387 -1.911 5.231 1.00 0.00 H +ATOM 198 N SER A 13 6.509 -4.707 3.214 1.00 0.00 N +ATOM 199 CA SER A 13 7.159 -5.950 2.773 1.00 0.00 C +ATOM 200 C SER A 13 7.030 -6.225 1.263 1.00 0.00 C +ATOM 201 O SER A 13 7.213 -7.355 0.818 1.00 0.00 O +ATOM 202 CB SER A 13 6.698 -7.124 3.649 1.00 0.00 C +ATOM 203 OG SER A 13 5.331 -7.475 3.506 1.00 0.00 O +ATOM 204 H SER A 13 5.551 -4.762 3.529 1.00 0.00 H +ATOM 205 HA SER A 13 8.229 -5.841 2.949 1.00 0.00 H +ATOM 206 HB2 SER A 13 7.291 -7.982 3.396 1.00 0.00 H +ATOM 207 HB3 SER A 13 6.899 -6.873 4.691 1.00 0.00 H +ATOM 208 HG SER A 13 4.725 -6.704 3.495 1.00 0.00 H +ATOM 209 N SER A 14 6.763 -5.177 0.472 1.00 0.00 N +ATOM 210 CA SER A 14 6.427 -5.256 -0.961 1.00 0.00 C +ATOM 211 C SER A 14 7.393 -4.454 -1.849 1.00 0.00 C +ATOM 212 O SER A 14 7.103 -4.203 -3.018 1.00 0.00 O +ATOM 213 CB SER A 14 4.966 -4.835 -1.209 1.00 0.00 C +ATOM 214 OG SER A 14 4.155 -4.935 -0.060 1.00 0.00 O +ATOM 215 H SER A 14 6.628 -4.294 0.943 1.00 0.00 H +ATOM 216 HA SER A 14 6.505 -6.297 -1.276 1.00 0.00 H +ATOM 217 HB2 SER A 14 4.957 -3.816 -1.545 1.00 0.00 H +ATOM 218 HB3 SER A 14 4.553 -5.447 -2.010 1.00 0.00 H +ATOM 219 HG SER A 14 4.335 -4.165 0.528 1.00 0.00 H +ATOM 220 N GLY A 15 8.524 -3.999 -1.288 1.00 0.00 N +ATOM 221 CA GLY A 15 9.526 -3.183 -1.983 1.00 0.00 C +ATOM 222 C GLY A 15 9.030 -1.786 -2.384 1.00 0.00 C +ATOM 223 O GLY A 15 9.571 -1.198 -3.319 1.00 0.00 O +ATOM 224 H GLY A 15 8.702 -4.280 -0.334 1.00 0.00 H +ATOM 225 HA2 GLY A 15 10.392 -3.054 -1.335 1.00 0.00 H +ATOM 226 HA3 GLY A 15 9.855 -3.702 -2.884 1.00 0.00 H +ATOM 227 N ARG A 16 7.999 -1.262 -1.701 1.00 0.00 N +ATOM 228 CA ARG A 16 7.349 0.019 -2.007 1.00 0.00 C +ATOM 229 C ARG A 16 6.893 0.760 -0.731 1.00 0.00 C +ATOM 230 O ARG A 16 6.219 0.163 0.112 1.00 0.00 O +ATOM 231 CB ARG A 16 6.178 -0.191 -2.987 1.00 0.00 C +ATOM 232 CG ARG A 16 5.135 -1.203 -2.490 1.00 0.00 C +ATOM 233 CD ARG A 16 3.984 -1.428 -3.468 1.00 0.00 C +ATOM 234 NE ARG A 16 4.422 -2.198 -4.644 1.00 0.00 N +ATOM 235 CZ ARG A 16 3.985 -2.079 -5.889 1.00 0.00 C +ATOM 236 NH1 ARG A 16 3.095 -1.174 -6.226 1.00 0.00 N +ATOM 237 NH2 ARG A 16 4.443 -2.867 -6.829 1.00 0.00 N +ATOM 238 H ARG A 16 7.637 -1.808 -0.931 1.00 0.00 H +ATOM 239 HA ARG A 16 8.087 0.627 -2.526 1.00 0.00 H +ATOM 240 HB2 ARG A 16 5.690 0.752 -3.140 1.00 0.00 H +ATOM 241 HB3 ARG A 16 6.587 -0.548 -3.935 1.00 0.00 H +ATOM 242 HG2 ARG A 16 5.627 -2.142 -2.323 1.00 0.00 H +ATOM 243 HG3 ARG A 16 4.707 -0.869 -1.550 1.00 0.00 H +ATOM 244 HD2 ARG A 16 3.202 -1.967 -2.969 1.00 0.00 H +ATOM 245 HD3 ARG A 16 3.580 -0.460 -3.754 1.00 0.00 H +ATOM 246 HE ARG A 16 4.950 -3.039 -4.447 1.00 0.00 H +ATOM 247 HH11 ARG A 16 2.699 -0.623 -5.487 1.00 0.00 H +ATOM 248 HH12 ARG A 16 2.736 -1.119 -7.160 1.00 0.00 H +ATOM 249 HH21 ARG A 16 5.052 -3.623 -6.563 1.00 0.00 H +ATOM 250 HH22 ARG A 16 4.097 -2.799 -7.766 1.00 0.00 H +ATOM 251 N PRO A 17 7.222 2.058 -0.583 1.00 0.00 N +ATOM 252 CA PRO A 17 6.818 2.862 0.570 1.00 0.00 C +ATOM 253 C PRO A 17 5.308 3.175 0.566 1.00 0.00 C +ATOM 254 O PRO A 17 4.649 2.986 -0.461 1.00 0.00 O +ATOM 255 CB PRO A 17 7.668 4.136 0.467 1.00 0.00 C +ATOM 256 CG PRO A 17 7.903 4.302 -1.030 1.00 0.00 C +ATOM 257 CD PRO A 17 7.972 2.866 -1.536 1.00 0.00 C +ATOM 258 HA PRO A 17 7.067 2.330 1.490 1.00 0.00 H +ATOM 259 HB2 PRO A 17 7.140 4.980 0.866 1.00 0.00 H +ATOM 260 HB3 PRO A 17 8.622 3.973 0.971 1.00 0.00 H +ATOM 261 HG2 PRO A 17 7.092 4.833 -1.490 1.00 0.00 H +ATOM 262 HG3 PRO A 17 8.828 4.841 -1.235 1.00 0.00 H +ATOM 263 HD2 PRO A 17 7.531 2.795 -2.511 1.00 0.00 H +ATOM 264 HD3 PRO A 17 9.009 2.530 -1.559 1.00 0.00 H +ATOM 265 N PRO A 18 4.746 3.667 1.690 1.00 0.00 N +ATOM 266 CA PRO A 18 3.331 4.024 1.786 1.00 0.00 C +ATOM 267 C PRO A 18 2.969 5.219 0.879 1.00 0.00 C +ATOM 268 O PRO A 18 3.752 6.167 0.773 1.00 0.00 O +ATOM 269 CB PRO A 18 3.081 4.342 3.265 1.00 0.00 C +ATOM 270 CG PRO A 18 4.457 4.738 3.793 1.00 0.00 C +ATOM 271 CD PRO A 18 5.409 3.874 2.971 1.00 0.00 C +ATOM 272 HA PRO A 18 2.737 3.158 1.511 1.00 0.00 H +ATOM 273 HB2 PRO A 18 2.385 5.152 3.369 1.00 0.00 H +ATOM 274 HB3 PRO A 18 2.740 3.441 3.778 1.00 0.00 H +ATOM 275 HG2 PRO A 18 4.646 5.781 3.629 1.00 0.00 H +ATOM 276 HG3 PRO A 18 4.557 4.542 4.860 1.00 0.00 H +ATOM 277 HD2 PRO A 18 6.346 4.379 2.831 1.00 0.00 H +ATOM 278 HD3 PRO A 18 5.554 2.911 3.463 1.00 0.00 H +ATOM 279 N PRO A 19 1.774 5.216 0.253 1.00 0.00 N +ATOM 280 CA PRO A 19 1.314 6.299 -0.608 1.00 0.00 C +ATOM 281 C PRO A 19 0.874 7.500 0.242 1.00 0.00 C +ATOM 282 O PRO A 19 -0.165 7.445 0.901 1.00 0.00 O +ATOM 283 CB PRO A 19 0.174 5.693 -1.433 1.00 0.00 C +ATOM 284 CG PRO A 19 -0.436 4.648 -0.498 1.00 0.00 C +ATOM 285 CD PRO A 19 0.761 4.170 0.330 1.00 0.00 C +ATOM 286 HA PRO A 19 2.114 6.607 -1.283 1.00 0.00 H +ATOM 287 HB2 PRO A 19 -0.549 6.442 -1.694 1.00 0.00 H +ATOM 288 HB3 PRO A 19 0.591 5.191 -2.307 1.00 0.00 H +ATOM 289 HG2 PRO A 19 -1.187 5.087 0.130 1.00 0.00 H +ATOM 290 HG3 PRO A 19 -0.891 3.829 -1.053 1.00 0.00 H +ATOM 291 HD2 PRO A 19 0.466 4.016 1.350 1.00 0.00 H +ATOM 292 HD3 PRO A 19 1.161 3.257 -0.105 1.00 0.00 H +ATOM 293 N SER A 20 1.692 8.561 0.244 1.00 0.00 N +ATOM 294 CA SER A 20 1.395 9.850 0.892 1.00 0.00 C +ATOM 295 C SER A 20 0.641 10.781 -0.057 1.00 0.00 C +ATOM 296 O SER A 20 1.191 11.035 -1.153 1.00 0.00 O +ATOM 297 CB SER A 20 2.675 10.542 1.362 1.00 0.00 C +ATOM 298 OG SER A 20 3.385 9.705 2.254 1.00 0.00 O +ATOM 299 OXT SER A 20 -0.453 11.237 0.341 1.00 0.00 O +ATOM 300 H SER A 20 2.495 8.530 -0.365 1.00 0.00 H +ATOM 301 HA SER A 20 0.748 9.687 1.754 1.00 0.00 H +ATOM 302 HB2 SER A 20 3.293 10.759 0.512 1.00 0.00 H +ATOM 303 HB3 SER A 20 2.412 11.474 1.867 1.00 0.00 H +ATOM 304 HG SER A 20 3.522 8.859 1.817 1.00 0.00 H +TER 305 SER A 20 +ENDMDL +MODEL 18 +ATOM 1 N ASN A 1 -4.790 8.442 0.249 1.00 0.00 N +ATOM 2 CA ASN A 1 -5.686 7.485 -0.453 1.00 0.00 C +ATOM 3 C ASN A 1 -4.849 6.300 -0.965 1.00 0.00 C +ATOM 4 O ASN A 1 -3.693 6.208 -0.570 1.00 0.00 O +ATOM 5 CB ASN A 1 -6.519 8.196 -1.544 1.00 0.00 C +ATOM 6 CG ASN A 1 -7.833 7.461 -1.812 1.00 0.00 C +ATOM 7 OD1 ASN A 1 -7.853 6.422 -2.450 1.00 0.00 O +ATOM 8 ND2 ASN A 1 -8.951 7.930 -1.294 1.00 0.00 N +ATOM 9 H1 ASN A 1 -4.244 7.939 0.938 1.00 0.00 H +ATOM 10 H2 ASN A 1 -4.142 8.858 -0.406 1.00 0.00 H +ATOM 11 H3 ASN A 1 -5.325 9.168 0.704 1.00 0.00 H +ATOM 12 HA ASN A 1 -6.383 7.080 0.282 1.00 0.00 H +ATOM 13 HB2 ASN A 1 -6.738 9.195 -1.220 1.00 0.00 H +ATOM 14 HB3 ASN A 1 -5.944 8.259 -2.469 1.00 0.00 H +ATOM 15 HD21 ASN A 1 -9.019 8.786 -0.768 1.00 0.00 H +ATOM 16 HD22 ASN A 1 -9.770 7.389 -1.524 1.00 0.00 H +ATOM 17 N LEU A 2 -5.405 5.376 -1.765 1.00 0.00 N +ATOM 18 CA LEU A 2 -4.751 4.202 -2.378 1.00 0.00 C +ATOM 19 C LEU A 2 -4.144 3.169 -1.390 1.00 0.00 C +ATOM 20 O LEU A 2 -3.662 2.112 -1.794 1.00 0.00 O +ATOM 21 CB LEU A 2 -3.724 4.701 -3.418 1.00 0.00 C +ATOM 22 CG LEU A 2 -3.530 3.738 -4.610 1.00 0.00 C +ATOM 23 CD1 LEU A 2 -4.310 4.230 -5.834 1.00 0.00 C +ATOM 24 CD2 LEU A 2 -2.051 3.617 -4.978 1.00 0.00 C +ATOM 25 H LEU A 2 -6.367 5.541 -2.065 1.00 0.00 H +ATOM 26 HA LEU A 2 -5.530 3.669 -2.924 1.00 0.00 H +ATOM 27 HB2 LEU A 2 -4.059 5.647 -3.798 1.00 0.00 H +ATOM 28 HB3 LEU A 2 -2.776 4.864 -2.910 1.00 0.00 H +ATOM 29 HG LEU A 2 -3.896 2.747 -4.351 1.00 0.00 H +ATOM 30 HD11 LEU A 2 -5.363 4.348 -5.581 1.00 0.00 H +ATOM 31 HD12 LEU A 2 -3.911 5.184 -6.179 1.00 0.00 H +ATOM 32 HD13 LEU A 2 -4.230 3.497 -6.639 1.00 0.00 H +ATOM 33 HD21 LEU A 2 -1.642 4.598 -5.223 1.00 0.00 H +ATOM 34 HD22 LEU A 2 -1.504 3.192 -4.138 1.00 0.00 H +ATOM 35 HD23 LEU A 2 -1.942 2.955 -5.838 1.00 0.00 H +ATOM 36 N TYR A 3 -4.199 3.443 -0.085 1.00 0.00 N +ATOM 37 CA TYR A 3 -3.520 2.704 0.978 1.00 0.00 C +ATOM 38 C TYR A 3 -3.955 1.233 1.067 1.00 0.00 C +ATOM 39 O TYR A 3 -3.129 0.359 1.321 1.00 0.00 O +ATOM 40 CB TYR A 3 -3.753 3.449 2.303 1.00 0.00 C +ATOM 41 CG TYR A 3 -2.583 3.372 3.262 1.00 0.00 C +ATOM 42 CD1 TYR A 3 -2.356 2.199 4.004 1.00 0.00 C +ATOM 43 CD2 TYR A 3 -1.718 4.476 3.408 1.00 0.00 C +ATOM 44 CE1 TYR A 3 -1.265 2.121 4.888 1.00 0.00 C +ATOM 45 CE2 TYR A 3 -0.634 4.408 4.303 1.00 0.00 C +ATOM 46 CZ TYR A 3 -0.399 3.225 5.036 1.00 0.00 C +ATOM 47 OH TYR A 3 0.654 3.151 5.892 1.00 0.00 O +ATOM 48 H TYR A 3 -4.531 4.367 0.144 1.00 0.00 H +ATOM 49 HA TYR A 3 -2.450 2.720 0.763 1.00 0.00 H +ATOM 50 HB2 TYR A 3 -3.942 4.482 2.082 1.00 0.00 H +ATOM 51 HB3 TYR A 3 -4.647 3.061 2.792 1.00 0.00 H +ATOM 52 HD1 TYR A 3 -3.021 1.359 3.886 1.00 0.00 H +ATOM 53 HD2 TYR A 3 -1.875 5.381 2.835 1.00 0.00 H +ATOM 54 HE1 TYR A 3 -1.080 1.223 5.456 1.00 0.00 H +ATOM 55 HE2 TYR A 3 0.025 5.255 4.425 1.00 0.00 H +ATOM 56 HH TYR A 3 0.402 3.418 6.779 1.00 0.00 H +ATOM 57 N ILE A 4 -5.239 0.944 0.809 1.00 0.00 N +ATOM 58 CA ILE A 4 -5.793 -0.418 0.803 1.00 0.00 C +ATOM 59 C ILE A 4 -5.137 -1.278 -0.294 1.00 0.00 C +ATOM 60 O ILE A 4 -4.777 -2.429 -0.051 1.00 0.00 O +ATOM 61 CB ILE A 4 -7.337 -0.377 0.654 1.00 0.00 C +ATOM 62 CG1 ILE A 4 -8.002 0.564 1.695 1.00 0.00 C +ATOM 63 CG2 ILE A 4 -7.933 -1.789 0.786 1.00 0.00 C +ATOM 64 CD1 ILE A 4 -8.600 1.821 1.047 1.00 0.00 C +ATOM 65 H ILE A 4 -5.855 1.722 0.628 1.00 0.00 H +ATOM 66 HA ILE A 4 -5.561 -0.884 1.762 1.00 0.00 H +ATOM 67 HB ILE A 4 -7.578 -0.019 -0.348 1.00 0.00 H +ATOM 68 HG12 ILE A 4 -8.786 0.027 2.194 1.00 0.00 H +ATOM 69 HG13 ILE A 4 -7.278 0.868 2.451 1.00 0.00 H +ATOM 70 HG21 ILE A 4 -7.587 -2.427 -0.028 1.00 0.00 H +ATOM 71 HG22 ILE A 4 -7.641 -2.235 1.738 1.00 0.00 H +ATOM 72 HG23 ILE A 4 -9.023 -1.740 0.735 1.00 0.00 H +ATOM 73 HD11 ILE A 4 -7.889 2.268 0.350 1.00 0.00 H +ATOM 74 HD12 ILE A 4 -9.514 1.556 0.511 1.00 0.00 H +ATOM 75 HD13 ILE A 4 -8.845 2.548 1.821 1.00 0.00 H +ATOM 76 N GLN A 5 -4.930 -0.702 -1.487 1.00 0.00 N +ATOM 77 CA GLN A 5 -4.240 -1.358 -2.602 1.00 0.00 C +ATOM 78 C GLN A 5 -2.757 -1.594 -2.286 1.00 0.00 C +ATOM 79 O GLN A 5 -2.238 -2.664 -2.596 1.00 0.00 O +ATOM 80 CB GLN A 5 -4.402 -0.514 -3.877 1.00 0.00 C +ATOM 81 CG GLN A 5 -5.825 -0.583 -4.457 1.00 0.00 C +ATOM 82 CD GLN A 5 -6.299 0.780 -4.949 1.00 0.00 C +ATOM 83 OE1 GLN A 5 -5.987 1.219 -6.043 1.00 0.00 O +ATOM 84 NE2 GLN A 5 -7.068 1.504 -4.156 1.00 0.00 N +ATOM 85 H GLN A 5 -5.142 0.280 -1.577 1.00 0.00 H +ATOM 86 HA GLN A 5 -4.690 -2.336 -2.774 1.00 0.00 H +ATOM 87 HB2 GLN A 5 -4.176 0.508 -3.643 1.00 0.00 H +ATOM 88 HB3 GLN A 5 -3.702 -0.864 -4.637 1.00 0.00 H +ATOM 89 HG2 GLN A 5 -5.832 -1.272 -5.280 1.00 0.00 H +ATOM 90 HG3 GLN A 5 -6.527 -0.953 -3.709 1.00 0.00 H +ATOM 91 HE21 GLN A 5 -7.405 1.166 -3.274 1.00 0.00 H +ATOM 92 HE22 GLN A 5 -7.384 2.362 -4.578 1.00 0.00 H +ATOM 93 N TRP A 6 -2.087 -0.635 -1.631 1.00 0.00 N +ATOM 94 CA TRP A 6 -0.718 -0.822 -1.137 1.00 0.00 C +ATOM 95 C TRP A 6 -0.625 -1.935 -0.078 1.00 0.00 C +ATOM 96 O TRP A 6 0.234 -2.811 -0.181 1.00 0.00 O +ATOM 97 CB TRP A 6 -0.169 0.510 -0.615 1.00 0.00 C +ATOM 98 CG TRP A 6 1.231 0.448 -0.086 1.00 0.00 C +ATOM 99 CD1 TRP A 6 2.357 0.390 -0.836 1.00 0.00 C +ATOM 100 CD2 TRP A 6 1.678 0.412 1.305 1.00 0.00 C +ATOM 101 NE1 TRP A 6 3.461 0.324 -0.009 1.00 0.00 N +ATOM 102 CE2 TRP A 6 3.102 0.345 1.317 1.00 0.00 C +ATOM 103 CE3 TRP A 6 1.032 0.434 2.562 1.00 0.00 C +ATOM 104 CZ2 TRP A 6 3.852 0.322 2.500 1.00 0.00 C +ATOM 105 CZ3 TRP A 6 1.773 0.390 3.759 1.00 0.00 C +ATOM 106 CH2 TRP A 6 3.179 0.343 3.732 1.00 0.00 C +ATOM 107 H TRP A 6 -2.569 0.238 -1.442 1.00 0.00 H +ATOM 108 HA TRP A 6 -0.091 -1.137 -1.973 1.00 0.00 H +ATOM 109 HB2 TRP A 6 -0.191 1.219 -1.420 1.00 0.00 H +ATOM 110 HB3 TRP A 6 -0.817 0.881 0.178 1.00 0.00 H +ATOM 111 HD1 TRP A 6 2.382 0.389 -1.919 1.00 0.00 H +ATOM 112 HE1 TRP A 6 4.439 0.289 -0.304 1.00 0.00 H +ATOM 113 HE3 TRP A 6 -0.045 0.494 2.594 1.00 0.00 H +ATOM 114 HZ2 TRP A 6 4.931 0.270 2.447 1.00 0.00 H +ATOM 115 HZ3 TRP A 6 1.262 0.416 4.711 1.00 0.00 H +ATOM 116 HH2 TRP A 6 3.741 0.324 4.655 1.00 0.00 H +ATOM 117 N LEU A 7 -1.535 -1.954 0.908 1.00 0.00 N +ATOM 118 CA LEU A 7 -1.599 -3.028 1.905 1.00 0.00 C +ATOM 119 C LEU A 7 -1.859 -4.404 1.277 1.00 0.00 C +ATOM 120 O LEU A 7 -1.246 -5.374 1.719 1.00 0.00 O +ATOM 121 CB LEU A 7 -2.653 -2.718 2.982 1.00 0.00 C +ATOM 122 CG LEU A 7 -2.238 -1.612 3.971 1.00 0.00 C +ATOM 123 CD1 LEU A 7 -3.451 -1.213 4.816 1.00 0.00 C +ATOM 124 CD2 LEU A 7 -1.124 -2.058 4.928 1.00 0.00 C +ATOM 125 H LEU A 7 -2.199 -1.184 0.968 1.00 0.00 H +ATOM 126 HA LEU A 7 -0.619 -3.101 2.378 1.00 0.00 H +ATOM 127 HB2 LEU A 7 -3.556 -2.409 2.491 1.00 0.00 H +ATOM 128 HB3 LEU A 7 -2.850 -3.627 3.553 1.00 0.00 H +ATOM 129 HG LEU A 7 -1.894 -0.741 3.419 1.00 0.00 H +ATOM 130 HD11 LEU A 7 -4.238 -0.826 4.169 1.00 0.00 H +ATOM 131 HD12 LEU A 7 -3.830 -2.080 5.360 1.00 0.00 H +ATOM 132 HD13 LEU A 7 -3.169 -0.442 5.533 1.00 0.00 H +ATOM 133 HD21 LEU A 7 -1.484 -2.855 5.579 1.00 0.00 H +ATOM 134 HD22 LEU A 7 -0.258 -2.415 4.373 1.00 0.00 H +ATOM 135 HD23 LEU A 7 -0.808 -1.215 5.538 1.00 0.00 H +ATOM 136 N LYS A 8 -2.699 -4.500 0.231 1.00 0.00 N +ATOM 137 CA LYS A 8 -2.961 -5.760 -0.490 1.00 0.00 C +ATOM 138 C LYS A 8 -1.682 -6.440 -0.992 1.00 0.00 C +ATOM 139 O LYS A 8 -1.618 -7.666 -1.015 1.00 0.00 O +ATOM 140 CB LYS A 8 -3.959 -5.521 -1.641 1.00 0.00 C +ATOM 141 CG LYS A 8 -4.419 -6.827 -2.322 1.00 0.00 C +ATOM 142 CD LYS A 8 -3.630 -7.226 -3.585 1.00 0.00 C +ATOM 143 CE LYS A 8 -4.103 -6.440 -4.814 1.00 0.00 C +ATOM 144 NZ LYS A 8 -3.568 -7.025 -6.066 1.00 0.00 N +ATOM 145 H LYS A 8 -3.215 -3.664 -0.036 1.00 0.00 H +ATOM 146 HA LYS A 8 -3.413 -6.457 0.217 1.00 0.00 H +ATOM 147 HB2 LYS A 8 -4.821 -5.019 -1.247 1.00 0.00 H +ATOM 148 HB3 LYS A 8 -3.524 -4.853 -2.384 1.00 0.00 H +ATOM 149 HG2 LYS A 8 -4.327 -7.623 -1.608 1.00 0.00 H +ATOM 150 HG3 LYS A 8 -5.470 -6.727 -2.593 1.00 0.00 H +ATOM 151 HD2 LYS A 8 -2.588 -7.026 -3.423 1.00 0.00 H +ATOM 152 HD3 LYS A 8 -3.798 -8.290 -3.759 1.00 0.00 H +ATOM 153 HE2 LYS A 8 -5.175 -6.459 -4.850 1.00 0.00 H +ATOM 154 HE3 LYS A 8 -3.782 -5.399 -4.713 1.00 0.00 H +ATOM 155 HZ1 LYS A 8 -2.555 -6.986 -6.067 1.00 0.00 H +ATOM 156 HZ2 LYS A 8 -3.851 -7.992 -6.145 1.00 0.00 H +ATOM 157 HZ3 LYS A 8 -3.914 -6.519 -6.870 1.00 0.00 H +ATOM 158 N ASP A 9 -0.674 -5.659 -1.382 1.00 0.00 N +ATOM 159 CA ASP A 9 0.615 -6.165 -1.853 1.00 0.00 C +ATOM 160 C ASP A 9 1.571 -6.567 -0.705 1.00 0.00 C +ATOM 161 O ASP A 9 2.686 -7.014 -0.969 1.00 0.00 O +ATOM 162 CB ASP A 9 1.231 -5.098 -2.777 1.00 0.00 C +ATOM 163 CG ASP A 9 2.189 -5.711 -3.799 1.00 0.00 C +ATOM 164 OD1 ASP A 9 1.663 -6.222 -4.813 1.00 0.00 O +ATOM 165 OD2 ASP A 9 3.416 -5.646 -3.568 1.00 0.00 O +ATOM 166 H ASP A 9 -0.796 -4.654 -1.332 1.00 0.00 H +ATOM 167 HA ASP A 9 0.438 -7.059 -2.454 1.00 0.00 H +ATOM 168 HB2 ASP A 9 0.441 -4.595 -3.301 1.00 0.00 H +ATOM 169 HB3 ASP A 9 1.736 -4.335 -2.183 1.00 0.00 H +ATOM 170 N GLY A 10 1.188 -6.375 0.570 1.00 0.00 N +ATOM 171 CA GLY A 10 2.022 -6.675 1.745 1.00 0.00 C +ATOM 172 C GLY A 10 2.601 -5.455 2.475 1.00 0.00 C +ATOM 173 O GLY A 10 3.441 -5.624 3.363 1.00 0.00 O +ATOM 174 H GLY A 10 0.253 -6.015 0.741 1.00 0.00 H +ATOM 175 HA2 GLY A 10 1.412 -7.227 2.460 1.00 0.00 H +ATOM 176 HA3 GLY A 10 2.853 -7.319 1.458 1.00 0.00 H +ATOM 177 N GLY A 11 2.171 -4.233 2.128 1.00 0.00 N +ATOM 178 CA GLY A 11 2.595 -2.981 2.757 1.00 0.00 C +ATOM 179 C GLY A 11 4.126 -2.821 2.820 1.00 0.00 C +ATOM 180 O GLY A 11 4.764 -2.728 1.772 1.00 0.00 O +ATOM 181 H GLY A 11 1.579 -4.166 1.309 1.00 0.00 H +ATOM 182 HA2 GLY A 11 2.194 -2.157 2.171 1.00 0.00 H +ATOM 183 HA3 GLY A 11 2.155 -2.927 3.750 1.00 0.00 H +ATOM 184 N PRO A 12 4.762 -2.798 4.014 1.00 0.00 N +ATOM 185 CA PRO A 12 6.222 -2.711 4.128 1.00 0.00 C +ATOM 186 C PRO A 12 6.985 -3.820 3.384 1.00 0.00 C +ATOM 187 O PRO A 12 8.141 -3.624 3.019 1.00 0.00 O +ATOM 188 CB PRO A 12 6.536 -2.771 5.628 1.00 0.00 C +ATOM 189 CG PRO A 12 5.232 -2.347 6.300 1.00 0.00 C +ATOM 190 CD PRO A 12 4.159 -2.854 5.339 1.00 0.00 C +ATOM 191 HA PRO A 12 6.541 -1.745 3.735 1.00 0.00 H +ATOM 192 HB2 PRO A 12 6.809 -3.767 5.920 1.00 0.00 H +ATOM 193 HB3 PRO A 12 7.357 -2.104 5.890 1.00 0.00 H +ATOM 194 HG2 PRO A 12 5.131 -2.805 7.265 1.00 0.00 H +ATOM 195 HG3 PRO A 12 5.189 -1.259 6.357 1.00 0.00 H +ATOM 196 HD2 PRO A 12 3.884 -3.862 5.583 1.00 0.00 H +ATOM 197 HD3 PRO A 12 3.274 -2.223 5.414 1.00 0.00 H +ATOM 198 N SER A 13 6.349 -4.977 3.147 1.00 0.00 N +ATOM 199 CA SER A 13 6.954 -6.124 2.463 1.00 0.00 C +ATOM 200 C SER A 13 6.833 -6.062 0.928 1.00 0.00 C +ATOM 201 O SER A 13 7.261 -6.986 0.242 1.00 0.00 O +ATOM 202 CB SER A 13 6.368 -7.420 3.048 1.00 0.00 C +ATOM 203 OG SER A 13 7.404 -8.335 3.350 1.00 0.00 O +ATOM 204 H SER A 13 5.372 -5.058 3.425 1.00 0.00 H +ATOM 205 HA SER A 13 8.023 -6.116 2.682 1.00 0.00 H +ATOM 206 HB2 SER A 13 5.826 -7.190 3.945 1.00 0.00 H +ATOM 207 HB3 SER A 13 5.665 -7.873 2.347 1.00 0.00 H +ATOM 208 HG SER A 13 7.993 -7.938 3.997 1.00 0.00 H +ATOM 209 N SER A 14 6.285 -4.971 0.375 1.00 0.00 N +ATOM 210 CA SER A 14 5.996 -4.784 -1.057 1.00 0.00 C +ATOM 211 C SER A 14 7.108 -4.082 -1.850 1.00 0.00 C +ATOM 212 O SER A 14 6.920 -3.757 -3.019 1.00 0.00 O +ATOM 213 CB SER A 14 4.711 -3.968 -1.193 1.00 0.00 C +ATOM 214 OG SER A 14 3.682 -4.612 -0.483 1.00 0.00 O +ATOM 215 H SER A 14 5.894 -4.268 0.998 1.00 0.00 H +ATOM 216 HA SER A 14 5.825 -5.757 -1.521 1.00 0.00 H +ATOM 217 HB2 SER A 14 4.865 -2.985 -0.791 1.00 0.00 H +ATOM 218 HB3 SER A 14 4.431 -3.871 -2.241 1.00 0.00 H +ATOM 219 HG SER A 14 3.520 -5.494 -0.884 1.00 0.00 H +ATOM 220 N GLY A 15 8.256 -3.783 -1.226 1.00 0.00 N +ATOM 221 CA GLY A 15 9.384 -3.115 -1.892 1.00 0.00 C +ATOM 222 C GLY A 15 9.136 -1.644 -2.261 1.00 0.00 C +ATOM 223 O GLY A 15 9.906 -1.080 -3.037 1.00 0.00 O +ATOM 224 H GLY A 15 8.354 -4.097 -0.270 1.00 0.00 H +ATOM 225 HA2 GLY A 15 10.260 -3.161 -1.246 1.00 0.00 H +ATOM 226 HA3 GLY A 15 9.616 -3.654 -2.812 1.00 0.00 H +ATOM 227 N ARG A 16 8.071 -1.022 -1.733 1.00 0.00 N +ATOM 228 CA ARG A 16 7.620 0.333 -2.073 1.00 0.00 C +ATOM 229 C ARG A 16 7.039 1.042 -0.836 1.00 0.00 C +ATOM 230 O ARG A 16 6.265 0.407 -0.118 1.00 0.00 O +ATOM 231 CB ARG A 16 6.558 0.205 -3.182 1.00 0.00 C +ATOM 232 CG ARG A 16 6.146 1.562 -3.766 1.00 0.00 C +ATOM 233 CD ARG A 16 5.085 1.404 -4.861 1.00 0.00 C +ATOM 234 NE ARG A 16 5.279 2.408 -5.922 1.00 0.00 N +ATOM 235 CZ ARG A 16 4.427 2.749 -6.879 1.00 0.00 C +ATOM 236 NH1 ARG A 16 3.214 2.253 -6.941 1.00 0.00 N +ATOM 237 NH2 ARG A 16 4.794 3.604 -7.805 1.00 0.00 N +ATOM 238 H ARG A 16 7.498 -1.558 -1.093 1.00 0.00 H +ATOM 239 HA ARG A 16 8.474 0.889 -2.457 1.00 0.00 H +ATOM 240 HB2 ARG A 16 6.958 -0.402 -3.972 1.00 0.00 H +ATOM 241 HB3 ARG A 16 5.678 -0.308 -2.787 1.00 0.00 H +ATOM 242 HG2 ARG A 16 5.747 2.173 -2.980 1.00 0.00 H +ATOM 243 HG3 ARG A 16 7.035 2.033 -4.183 1.00 0.00 H +ATOM 244 HD2 ARG A 16 5.162 0.422 -5.287 1.00 0.00 H +ATOM 245 HD3 ARG A 16 4.099 1.511 -4.406 1.00 0.00 H +ATOM 246 HE ARG A 16 6.183 2.845 -5.952 1.00 0.00 H +ATOM 247 HH11 ARG A 16 2.943 1.589 -6.236 1.00 0.00 H +ATOM 248 HH12 ARG A 16 2.578 2.515 -7.670 1.00 0.00 H +ATOM 249 HH21 ARG A 16 5.722 3.990 -7.801 1.00 0.00 H +ATOM 250 HH22 ARG A 16 4.153 3.860 -8.532 1.00 0.00 H +ATOM 251 N PRO A 17 7.339 2.336 -0.597 1.00 0.00 N +ATOM 252 CA PRO A 17 6.761 3.096 0.517 1.00 0.00 C +ATOM 253 C PRO A 17 5.236 3.291 0.376 1.00 0.00 C +ATOM 254 O PRO A 17 4.700 3.157 -0.728 1.00 0.00 O +ATOM 255 CB PRO A 17 7.502 4.441 0.515 1.00 0.00 C +ATOM 256 CG PRO A 17 7.925 4.615 -0.941 1.00 0.00 C +ATOM 257 CD PRO A 17 8.240 3.185 -1.367 1.00 0.00 C +ATOM 258 HA PRO A 17 6.966 2.571 1.450 1.00 0.00 H +ATOM 259 HB2 PRO A 17 6.852 5.237 0.823 1.00 0.00 H +ATOM 260 HB3 PRO A 17 8.390 4.367 1.144 1.00 0.00 H +ATOM 261 HG2 PRO A 17 7.129 5.028 -1.529 1.00 0.00 H +ATOM 262 HG3 PRO A 17 8.791 5.270 -1.039 1.00 0.00 H +ATOM 263 HD2 PRO A 17 8.064 3.060 -2.418 1.00 0.00 H +ATOM 264 HD3 PRO A 17 9.272 2.943 -1.108 1.00 0.00 H +ATOM 265 N PRO A 18 4.530 3.634 1.472 1.00 0.00 N +ATOM 266 CA PRO A 18 3.086 3.848 1.449 1.00 0.00 C +ATOM 267 C PRO A 18 2.698 5.104 0.650 1.00 0.00 C +ATOM 268 O PRO A 18 3.420 6.101 0.687 1.00 0.00 O +ATOM 269 CB PRO A 18 2.662 3.983 2.913 1.00 0.00 C +ATOM 270 CG PRO A 18 3.925 4.461 3.623 1.00 0.00 C +ATOM 271 CD PRO A 18 5.046 3.799 2.825 1.00 0.00 C +ATOM 272 HA PRO A 18 2.610 2.974 1.015 1.00 0.00 H +ATOM 273 HB2 PRO A 18 1.872 4.701 3.016 1.00 0.00 H +ATOM 274 HB3 PRO A 18 2.373 3.010 3.303 1.00 0.00 H +ATOM 275 HG2 PRO A 18 4.006 5.530 3.586 1.00 0.00 H +ATOM 276 HG3 PRO A 18 3.940 4.157 4.670 1.00 0.00 H +ATOM 277 HD2 PRO A 18 5.918 4.424 2.818 1.00 0.00 H +ATOM 278 HD3 PRO A 18 5.270 2.821 3.248 1.00 0.00 H +ATOM 279 N PRO A 19 1.537 5.098 -0.033 1.00 0.00 N +ATOM 280 CA PRO A 19 1.010 6.280 -0.696 1.00 0.00 C +ATOM 281 C PRO A 19 0.436 7.257 0.342 1.00 0.00 C +ATOM 282 O PRO A 19 -0.227 6.870 1.309 1.00 0.00 O +ATOM 283 CB PRO A 19 -0.043 5.743 -1.671 1.00 0.00 C +ATOM 284 CG PRO A 19 -0.579 4.494 -0.969 1.00 0.00 C +ATOM 285 CD PRO A 19 0.631 3.970 -0.196 1.00 0.00 C +ATOM 286 HA PRO A 19 1.802 6.778 -1.258 1.00 0.00 H +ATOM 287 HB2 PRO A 19 -0.825 6.462 -1.825 1.00 0.00 H +ATOM 288 HB3 PRO A 19 0.453 5.447 -2.598 1.00 0.00 H +ATOM 289 HG2 PRO A 19 -1.381 4.744 -0.302 1.00 0.00 H +ATOM 290 HG3 PRO A 19 -0.944 3.756 -1.684 1.00 0.00 H +ATOM 291 HD2 PRO A 19 0.326 3.598 0.763 1.00 0.00 H +ATOM 292 HD3 PRO A 19 1.130 3.194 -0.777 1.00 0.00 H +ATOM 293 N SER A 20 0.706 8.552 0.169 1.00 0.00 N +ATOM 294 CA SER A 20 0.162 9.640 0.988 1.00 0.00 C +ATOM 295 C SER A 20 -0.066 10.872 0.126 1.00 0.00 C +ATOM 296 O SER A 20 0.918 11.303 -0.513 1.00 0.00 O +ATOM 297 CB SER A 20 1.092 9.931 2.166 1.00 0.00 C +ATOM 298 OG SER A 20 1.001 8.805 3.014 1.00 0.00 O +ATOM 299 OXT SER A 20 -1.239 11.304 0.086 1.00 0.00 O +ATOM 300 H SER A 20 1.318 8.846 -0.582 1.00 0.00 H +ATOM 301 HA SER A 20 -0.816 9.367 1.381 1.00 0.00 H +ATOM 302 HB2 SER A 20 2.100 10.060 1.823 1.00 0.00 H +ATOM 303 HB3 SER A 20 0.767 10.828 2.696 1.00 0.00 H +ATOM 304 HG SER A 20 0.609 8.093 2.479 1.00 0.00 H +TER 305 SER A 20 +ENDMDL +MODEL 19 +ATOM 1 N ASN A 1 -4.711 8.428 -0.250 1.00 0.00 N +ATOM 2 CA ASN A 1 -5.482 7.459 -1.069 1.00 0.00 C +ATOM 3 C ASN A 1 -4.637 6.216 -1.384 1.00 0.00 C +ATOM 4 O ASN A 1 -3.508 6.151 -0.914 1.00 0.00 O +ATOM 5 CB ASN A 1 -6.058 8.123 -2.332 1.00 0.00 C +ATOM 6 CG ASN A 1 -7.308 7.368 -2.763 1.00 0.00 C +ATOM 7 OD1 ASN A 1 -8.229 7.219 -1.982 1.00 0.00 O +ATOM 8 ND2 ASN A 1 -7.347 6.788 -3.948 1.00 0.00 N +ATOM 9 H1 ASN A 1 -4.276 7.945 0.525 1.00 0.00 H +ATOM 10 H2 ASN A 1 -3.969 8.859 -0.792 1.00 0.00 H +ATOM 11 H3 ASN A 1 -5.313 9.159 0.105 1.00 0.00 H +ATOM 12 HA ASN A 1 -6.326 7.121 -0.463 1.00 0.00 H +ATOM 13 HB2 ASN A 1 -6.310 9.144 -2.119 1.00 0.00 H +ATOM 14 HB3 ASN A 1 -5.314 8.139 -3.131 1.00 0.00 H +ATOM 15 HD21 ASN A 1 -6.635 6.892 -4.653 1.00 0.00 H +ATOM 16 HD22 ASN A 1 -8.230 6.344 -4.151 1.00 0.00 H +ATOM 17 N LEU A 2 -5.165 5.225 -2.127 1.00 0.00 N +ATOM 18 CA LEU A 2 -4.498 3.973 -2.561 1.00 0.00 C +ATOM 19 C LEU A 2 -3.959 3.039 -1.451 1.00 0.00 C +ATOM 20 O LEU A 2 -3.474 1.944 -1.745 1.00 0.00 O +ATOM 21 CB LEU A 2 -3.435 4.298 -3.639 1.00 0.00 C +ATOM 22 CG LEU A 2 -4.002 4.275 -5.079 1.00 0.00 C +ATOM 23 CD1 LEU A 2 -3.796 5.613 -5.794 1.00 0.00 C +ATOM 24 CD2 LEU A 2 -3.342 3.164 -5.900 1.00 0.00 C +ATOM 25 H LEU A 2 -6.111 5.349 -2.465 1.00 0.00 H +ATOM 26 HA LEU A 2 -5.264 3.362 -3.041 1.00 0.00 H +ATOM 27 HB2 LEU A 2 -3.039 5.276 -3.444 1.00 0.00 H +ATOM 28 HB3 LEU A 2 -2.623 3.573 -3.570 1.00 0.00 H +ATOM 29 HG LEU A 2 -5.074 4.082 -5.054 1.00 0.00 H +ATOM 30 HD11 LEU A 2 -4.302 6.407 -5.250 1.00 0.00 H +ATOM 31 HD12 LEU A 2 -2.731 5.843 -5.862 1.00 0.00 H +ATOM 32 HD13 LEU A 2 -4.209 5.556 -6.802 1.00 0.00 H +ATOM 33 HD21 LEU A 2 -2.271 3.350 -5.990 1.00 0.00 H +ATOM 34 HD22 LEU A 2 -3.499 2.202 -5.413 1.00 0.00 H +ATOM 35 HD23 LEU A 2 -3.782 3.126 -6.897 1.00 0.00 H +ATOM 36 N TYR A 3 -4.101 3.418 -0.179 1.00 0.00 N +ATOM 37 CA TYR A 3 -3.547 2.721 0.982 1.00 0.00 C +ATOM 38 C TYR A 3 -4.035 1.268 1.120 1.00 0.00 C +ATOM 39 O TYR A 3 -3.246 0.381 1.446 1.00 0.00 O +ATOM 40 CB TYR A 3 -3.866 3.547 2.234 1.00 0.00 C +ATOM 41 CG TYR A 3 -2.864 3.337 3.348 1.00 0.00 C +ATOM 42 CD1 TYR A 3 -1.722 4.158 3.414 1.00 0.00 C +ATOM 43 CD2 TYR A 3 -3.059 2.315 4.297 1.00 0.00 C +ATOM 44 CE1 TYR A 3 -0.764 3.952 4.424 1.00 0.00 C +ATOM 45 CE2 TYR A 3 -2.106 2.111 5.311 1.00 0.00 C +ATOM 46 CZ TYR A 3 -0.953 2.921 5.370 1.00 0.00 C +ATOM 47 OH TYR A 3 -0.015 2.685 6.326 1.00 0.00 O +ATOM 48 H TYR A 3 -4.435 4.356 -0.036 1.00 0.00 H +ATOM 49 HA TYR A 3 -2.464 2.693 0.862 1.00 0.00 H +ATOM 50 HB2 TYR A 3 -3.869 4.586 1.967 1.00 0.00 H +ATOM 51 HB3 TYR A 3 -4.870 3.311 2.589 1.00 0.00 H +ATOM 52 HD1 TYR A 3 -1.570 4.949 2.689 1.00 0.00 H +ATOM 53 HD2 TYR A 3 -3.934 1.680 4.247 1.00 0.00 H +ATOM 54 HE1 TYR A 3 0.103 4.591 4.475 1.00 0.00 H +ATOM 55 HE2 TYR A 3 -2.233 1.337 6.051 1.00 0.00 H +ATOM 56 HH TYR A 3 0.804 3.144 6.139 1.00 0.00 H +ATOM 57 N ILE A 4 -5.316 1.007 0.820 1.00 0.00 N +ATOM 58 CA ILE A 4 -5.898 -0.342 0.812 1.00 0.00 C +ATOM 59 C ILE A 4 -5.161 -1.235 -0.200 1.00 0.00 C +ATOM 60 O ILE A 4 -4.707 -2.324 0.147 1.00 0.00 O +ATOM 61 CB ILE A 4 -7.424 -0.311 0.536 1.00 0.00 C +ATOM 62 CG1 ILE A 4 -8.202 0.658 1.464 1.00 0.00 C +ATOM 63 CG2 ILE A 4 -8.008 -1.726 0.703 1.00 0.00 C +ATOM 64 CD1 ILE A 4 -8.481 2.022 0.816 1.00 0.00 C +ATOM 65 H ILE A 4 -5.901 1.792 0.575 1.00 0.00 H +ATOM 66 HA ILE A 4 -5.743 -0.778 1.800 1.00 0.00 H +ATOM 67 HB ILE A 4 -7.593 -0.010 -0.501 1.00 0.00 H +ATOM 68 HG12 ILE A 4 -9.140 0.204 1.722 1.00 0.00 H +ATOM 69 HG13 ILE A 4 -7.659 0.801 2.399 1.00 0.00 H +ATOM 70 HG21 ILE A 4 -7.552 -2.414 -0.005 1.00 0.00 H +ATOM 71 HG22 ILE A 4 -7.831 -2.089 1.719 1.00 0.00 H +ATOM 72 HG23 ILE A 4 -9.082 -1.713 0.513 1.00 0.00 H +ATOM 73 HD11 ILE A 4 -7.555 2.566 0.645 1.00 0.00 H +ATOM 74 HD12 ILE A 4 -9.003 1.881 -0.131 1.00 0.00 H +ATOM 75 HD13 ILE A 4 -9.118 2.609 1.477 1.00 0.00 H +ATOM 76 N GLN A 5 -5.005 -0.767 -1.445 1.00 0.00 N +ATOM 77 CA GLN A 5 -4.266 -1.471 -2.496 1.00 0.00 C +ATOM 78 C GLN A 5 -2.794 -1.703 -2.131 1.00 0.00 C +ATOM 79 O GLN A 5 -2.290 -2.798 -2.375 1.00 0.00 O +ATOM 80 CB GLN A 5 -4.404 -0.714 -3.831 1.00 0.00 C +ATOM 81 CG GLN A 5 -5.577 -1.242 -4.674 1.00 0.00 C +ATOM 82 CD GLN A 5 -5.172 -2.342 -5.657 1.00 0.00 C +ATOM 83 OE1 GLN A 5 -5.444 -2.266 -6.841 1.00 0.00 O +ATOM 84 NE2 GLN A 5 -4.511 -3.407 -5.235 1.00 0.00 N +ATOM 85 H GLN A 5 -5.339 0.164 -1.640 1.00 0.00 H +ATOM 86 HA GLN A 5 -4.705 -2.459 -2.606 1.00 0.00 H +ATOM 87 HB2 GLN A 5 -4.567 0.326 -3.624 1.00 0.00 H +ATOM 88 HB3 GLN A 5 -3.485 -0.802 -4.412 1.00 0.00 H +ATOM 89 HG2 GLN A 5 -6.322 -1.636 -4.010 1.00 0.00 H +ATOM 90 HG3 GLN A 5 -5.980 -0.410 -5.253 1.00 0.00 H +ATOM 91 HE21 GLN A 5 -4.079 -3.463 -4.327 1.00 0.00 H +ATOM 92 HE22 GLN A 5 -4.196 -3.952 -6.023 1.00 0.00 H +ATOM 93 N TRP A 6 -2.131 -0.715 -1.517 1.00 0.00 N +ATOM 94 CA TRP A 6 -0.771 -0.866 -0.989 1.00 0.00 C +ATOM 95 C TRP A 6 -0.676 -1.954 0.096 1.00 0.00 C +ATOM 96 O TRP A 6 0.217 -2.804 0.034 1.00 0.00 O +ATOM 97 CB TRP A 6 -0.278 0.492 -0.481 1.00 0.00 C +ATOM 98 CG TRP A 6 1.076 0.483 0.156 1.00 0.00 C +ATOM 99 CD1 TRP A 6 2.258 0.449 -0.500 1.00 0.00 C +ATOM 100 CD2 TRP A 6 1.409 0.516 1.577 1.00 0.00 C +ATOM 101 NE1 TRP A 6 3.295 0.438 0.415 1.00 0.00 N +ATOM 102 CE2 TRP A 6 2.830 0.499 1.706 1.00 0.00 C +ATOM 103 CE3 TRP A 6 0.660 0.554 2.771 1.00 0.00 C +ATOM 104 CZ2 TRP A 6 3.479 0.537 2.947 1.00 0.00 C +ATOM 105 CZ3 TRP A 6 1.299 0.565 4.026 1.00 0.00 C +ATOM 106 CH2 TRP A 6 2.703 0.571 4.116 1.00 0.00 C +ATOM 107 H TRP A 6 -2.609 0.176 -1.403 1.00 0.00 H +ATOM 108 HA TRP A 6 -0.117 -1.181 -1.802 1.00 0.00 H +ATOM 109 HB2 TRP A 6 -0.248 1.167 -1.315 1.00 0.00 H +ATOM 110 HB3 TRP A 6 -0.989 0.883 0.245 1.00 0.00 H +ATOM 111 HD1 TRP A 6 2.367 0.437 -1.575 1.00 0.00 H +ATOM 112 HE1 TRP A 6 4.290 0.412 0.180 1.00 0.00 H +ATOM 113 HE3 TRP A 6 -0.419 0.574 2.716 1.00 0.00 H +ATOM 114 HZ2 TRP A 6 4.558 0.526 2.988 1.00 0.00 H +ATOM 115 HZ3 TRP A 6 0.705 0.572 4.929 1.00 0.00 H +ATOM 116 HH2 TRP A 6 3.181 0.592 5.084 1.00 0.00 H +ATOM 117 N LEU A 7 -1.612 -1.982 1.056 1.00 0.00 N +ATOM 118 CA LEU A 7 -1.688 -3.061 2.044 1.00 0.00 C +ATOM 119 C LEU A 7 -1.950 -4.430 1.398 1.00 0.00 C +ATOM 120 O LEU A 7 -1.263 -5.384 1.758 1.00 0.00 O +ATOM 121 CB LEU A 7 -2.739 -2.752 3.125 1.00 0.00 C +ATOM 122 CG LEU A 7 -2.322 -1.677 4.150 1.00 0.00 C +ATOM 123 CD1 LEU A 7 -3.497 -1.435 5.104 1.00 0.00 C +ATOM 124 CD2 LEU A 7 -1.106 -2.095 4.988 1.00 0.00 C +ATOM 125 H LEU A 7 -2.302 -1.233 1.088 1.00 0.00 H +ATOM 126 HA LEU A 7 -0.712 -3.148 2.521 1.00 0.00 H +ATOM 127 HB2 LEU A 7 -3.632 -2.416 2.635 1.00 0.00 H +ATOM 128 HB3 LEU A 7 -2.947 -3.672 3.673 1.00 0.00 H +ATOM 129 HG LEU A 7 -2.094 -0.746 3.637 1.00 0.00 H +ATOM 130 HD11 LEU A 7 -4.353 -1.060 4.542 1.00 0.00 H +ATOM 131 HD12 LEU A 7 -3.770 -2.364 5.605 1.00 0.00 H +ATOM 132 HD13 LEU A 7 -3.222 -0.700 5.856 1.00 0.00 H +ATOM 133 HD21 LEU A 7 -1.285 -3.061 5.457 1.00 0.00 H +ATOM 134 HD22 LEU A 7 -0.217 -2.154 4.362 1.00 0.00 H +ATOM 135 HD23 LEU A 7 -0.919 -1.351 5.762 1.00 0.00 H +ATOM 136 N LYS A 8 -2.879 -4.534 0.430 1.00 0.00 N +ATOM 137 CA LYS A 8 -3.176 -5.792 -0.293 1.00 0.00 C +ATOM 138 C LYS A 8 -1.940 -6.427 -0.932 1.00 0.00 C +ATOM 139 O LYS A 8 -1.861 -7.649 -0.988 1.00 0.00 O +ATOM 140 CB LYS A 8 -4.234 -5.580 -1.389 1.00 0.00 C +ATOM 141 CG LYS A 8 -5.650 -5.363 -0.841 1.00 0.00 C +ATOM 142 CD LYS A 8 -6.641 -4.855 -1.906 1.00 0.00 C +ATOM 143 CE LYS A 8 -7.271 -5.959 -2.767 1.00 0.00 C +ATOM 144 NZ LYS A 8 -6.386 -6.423 -3.863 1.00 0.00 N +ATOM 145 H LYS A 8 -3.427 -3.700 0.224 1.00 0.00 H +ATOM 146 HA LYS A 8 -3.550 -6.525 0.424 1.00 0.00 H +ATOM 147 HB2 LYS A 8 -3.957 -4.718 -1.966 1.00 0.00 H +ATOM 148 HB3 LYS A 8 -4.252 -6.467 -2.023 1.00 0.00 H +ATOM 149 HG2 LYS A 8 -6.013 -6.296 -0.455 1.00 0.00 H +ATOM 150 HG3 LYS A 8 -5.609 -4.626 -0.042 1.00 0.00 H +ATOM 151 HD2 LYS A 8 -7.431 -4.329 -1.405 1.00 0.00 H +ATOM 152 HD3 LYS A 8 -6.171 -4.105 -2.541 1.00 0.00 H +ATOM 153 HE2 LYS A 8 -7.499 -6.796 -2.135 1.00 0.00 H +ATOM 154 HE3 LYS A 8 -8.193 -5.560 -3.199 1.00 0.00 H +ATOM 155 HZ1 LYS A 8 -6.162 -5.656 -4.484 1.00 0.00 H +ATOM 156 HZ2 LYS A 8 -5.528 -6.807 -3.488 1.00 0.00 H +ATOM 157 HZ3 LYS A 8 -6.850 -7.145 -4.401 1.00 0.00 H +ATOM 158 N ASP A 9 -1.006 -5.612 -1.428 1.00 0.00 N +ATOM 159 CA ASP A 9 0.249 -6.089 -2.012 1.00 0.00 C +ATOM 160 C ASP A 9 1.195 -6.700 -0.957 1.00 0.00 C +ATOM 161 O ASP A 9 1.906 -7.655 -1.257 1.00 0.00 O +ATOM 162 CB ASP A 9 0.908 -4.913 -2.751 1.00 0.00 C +ATOM 163 CG ASP A 9 1.926 -5.376 -3.792 1.00 0.00 C +ATOM 164 OD1 ASP A 9 3.079 -5.637 -3.380 1.00 0.00 O +ATOM 165 OD2 ASP A 9 1.557 -5.417 -4.986 1.00 0.00 O +ATOM 166 H ASP A 9 -1.181 -4.614 -1.403 1.00 0.00 H +ATOM 167 HA ASP A 9 0.021 -6.868 -2.743 1.00 0.00 H +ATOM 168 HB2 ASP A 9 0.144 -4.345 -3.245 1.00 0.00 H +ATOM 169 HB3 ASP A 9 1.399 -4.255 -2.030 1.00 0.00 H +ATOM 170 N GLY A 10 1.167 -6.180 0.281 1.00 0.00 N +ATOM 171 CA GLY A 10 2.093 -6.534 1.364 1.00 0.00 C +ATOM 172 C GLY A 10 2.641 -5.339 2.162 1.00 0.00 C +ATOM 173 O GLY A 10 3.484 -5.529 3.044 1.00 0.00 O +ATOM 174 H GLY A 10 0.409 -5.539 0.486 1.00 0.00 H +ATOM 175 HA2 GLY A 10 1.576 -7.194 2.060 1.00 0.00 H +ATOM 176 HA3 GLY A 10 2.946 -7.076 0.955 1.00 0.00 H +ATOM 177 N GLY A 11 2.182 -4.110 1.882 1.00 0.00 N +ATOM 178 CA GLY A 11 2.599 -2.906 2.599 1.00 0.00 C +ATOM 179 C GLY A 11 4.124 -2.698 2.547 1.00 0.00 C +ATOM 180 O GLY A 11 4.696 -2.700 1.453 1.00 0.00 O +ATOM 181 H GLY A 11 1.532 -3.983 1.113 1.00 0.00 H +ATOM 182 HA2 GLY A 11 2.116 -2.047 2.140 1.00 0.00 H +ATOM 183 HA3 GLY A 11 2.249 -2.984 3.627 1.00 0.00 H +ATOM 184 N PRO A 12 4.822 -2.540 3.693 1.00 0.00 N +ATOM 185 CA PRO A 12 6.282 -2.419 3.719 1.00 0.00 C +ATOM 186 C PRO A 12 7.024 -3.621 3.110 1.00 0.00 C +ATOM 187 O PRO A 12 8.145 -3.463 2.631 1.00 0.00 O +ATOM 188 CB PRO A 12 6.668 -2.252 5.194 1.00 0.00 C +ATOM 189 CG PRO A 12 5.381 -1.788 5.872 1.00 0.00 C +ATOM 190 CD PRO A 12 4.292 -2.472 5.049 1.00 0.00 C +ATOM 191 HA PRO A 12 6.564 -1.518 3.171 1.00 0.00 H +ATOM 192 HB2 PRO A 12 7.000 -3.185 5.608 1.00 0.00 H +ATOM 193 HB3 PRO A 12 7.469 -1.522 5.318 1.00 0.00 H +ATOM 194 HG2 PRO A 12 5.348 -2.107 6.896 1.00 0.00 H +ATOM 195 HG3 PRO A 12 5.287 -0.705 5.777 1.00 0.00 H +ATOM 196 HD2 PRO A 12 4.098 -3.457 5.427 1.00 0.00 H +ATOM 197 HD3 PRO A 12 3.371 -1.895 5.104 1.00 0.00 H +ATOM 198 N SER A 13 6.411 -4.816 3.098 1.00 0.00 N +ATOM 199 CA SER A 13 7.038 -6.057 2.614 1.00 0.00 C +ATOM 200 C SER A 13 7.028 -6.197 1.080 1.00 0.00 C +ATOM 201 O SER A 13 7.416 -7.241 0.562 1.00 0.00 O +ATOM 202 CB SER A 13 6.390 -7.277 3.283 1.00 0.00 C +ATOM 203 OG SER A 13 6.567 -7.211 4.686 1.00 0.00 O +ATOM 204 H SER A 13 5.434 -4.862 3.375 1.00 0.00 H +ATOM 205 HA SER A 13 8.085 -6.051 2.913 1.00 0.00 H +ATOM 206 HB2 SER A 13 5.341 -7.291 3.057 1.00 0.00 H +ATOM 207 HB3 SER A 13 6.867 -8.188 2.919 1.00 0.00 H +ATOM 208 HG SER A 13 6.098 -6.440 5.015 1.00 0.00 H +ATOM 209 N SER A 14 6.620 -5.147 0.358 1.00 0.00 N +ATOM 210 CA SER A 14 6.465 -5.116 -1.104 1.00 0.00 C +ATOM 211 C SER A 14 7.520 -4.277 -1.839 1.00 0.00 C +ATOM 212 O SER A 14 7.383 -4.035 -3.039 1.00 0.00 O +ATOM 213 CB SER A 14 5.072 -4.582 -1.431 1.00 0.00 C +ATOM 214 OG SER A 14 4.112 -5.580 -1.231 1.00 0.00 O +ATOM 215 H SER A 14 6.276 -4.349 0.876 1.00 0.00 H +ATOM 216 HA SER A 14 6.531 -6.130 -1.502 1.00 0.00 H +ATOM 217 HB2 SER A 14 4.854 -3.747 -0.793 1.00 0.00 H +ATOM 218 HB3 SER A 14 5.022 -4.287 -2.477 1.00 0.00 H +ATOM 219 HG SER A 14 3.651 -5.690 -2.148 1.00 0.00 H +ATOM 220 N GLY A 15 8.549 -3.780 -1.139 1.00 0.00 N +ATOM 221 CA GLY A 15 9.587 -2.933 -1.741 1.00 0.00 C +ATOM 222 C GLY A 15 9.096 -1.536 -2.151 1.00 0.00 C +ATOM 223 O GLY A 15 9.726 -0.894 -2.987 1.00 0.00 O +ATOM 224 H GLY A 15 8.618 -4.033 -0.161 1.00 0.00 H +ATOM 225 HA2 GLY A 15 10.410 -2.813 -1.039 1.00 0.00 H +ATOM 226 HA3 GLY A 15 9.975 -3.426 -2.634 1.00 0.00 H +ATOM 227 N ARG A 16 7.969 -1.073 -1.587 1.00 0.00 N +ATOM 228 CA ARG A 16 7.285 0.177 -1.944 1.00 0.00 C +ATOM 229 C ARG A 16 6.807 0.935 -0.691 1.00 0.00 C +ATOM 230 O ARG A 16 6.125 0.336 0.145 1.00 0.00 O +ATOM 231 CB ARG A 16 6.131 -0.110 -2.930 1.00 0.00 C +ATOM 232 CG ARG A 16 5.136 -1.187 -2.454 1.00 0.00 C +ATOM 233 CD ARG A 16 3.995 -1.438 -3.443 1.00 0.00 C +ATOM 234 NE ARG A 16 4.473 -2.075 -4.685 1.00 0.00 N +ATOM 235 CZ ARG A 16 4.016 -1.881 -5.916 1.00 0.00 C +ATOM 236 NH1 ARG A 16 3.041 -1.038 -6.174 1.00 0.00 N +ATOM 237 NH2 ARG A 16 4.543 -2.530 -6.926 1.00 0.00 N +ATOM 238 H ARG A 16 7.539 -1.660 -0.885 1.00 0.00 H +ATOM 239 HA ARG A 16 8.004 0.797 -2.475 1.00 0.00 H +ATOM 240 HB2 ARG A 16 5.588 0.802 -3.085 1.00 0.00 H +ATOM 241 HB3 ARG A 16 6.569 -0.435 -3.874 1.00 0.00 H +ATOM 242 HG2 ARG A 16 5.671 -2.106 -2.312 1.00 0.00 H +ATOM 243 HG3 ARG A 16 4.696 -0.891 -1.507 1.00 0.00 H +ATOM 244 HD2 ARG A 16 3.270 -2.080 -2.981 1.00 0.00 H +ATOM 245 HD3 ARG A 16 3.510 -0.485 -3.654 1.00 0.00 H +ATOM 246 HE ARG A 16 5.199 -2.769 -4.574 1.00 0.00 H +ATOM 247 HH11 ARG A 16 2.612 -0.568 -5.400 1.00 0.00 H +ATOM 248 HH12 ARG A 16 2.697 -0.911 -7.106 1.00 0.00 H +ATOM 249 HH21 ARG A 16 5.261 -3.213 -6.759 1.00 0.00 H +ATOM 250 HH22 ARG A 16 4.184 -2.398 -7.852 1.00 0.00 H +ATOM 251 N PRO A 17 7.131 2.235 -0.537 1.00 0.00 N +ATOM 252 CA PRO A 17 6.706 3.032 0.616 1.00 0.00 C +ATOM 253 C PRO A 17 5.183 3.290 0.607 1.00 0.00 C +ATOM 254 O PRO A 17 4.540 3.099 -0.429 1.00 0.00 O +ATOM 255 CB PRO A 17 7.514 4.332 0.509 1.00 0.00 C +ATOM 256 CG PRO A 17 7.726 4.499 -0.992 1.00 0.00 C +ATOM 257 CD PRO A 17 7.879 3.059 -1.478 1.00 0.00 C +ATOM 258 HA PRO A 17 6.972 2.511 1.537 1.00 0.00 H +ATOM 259 HB2 PRO A 17 6.963 5.160 0.913 1.00 0.00 H +ATOM 260 HB3 PRO A 17 8.479 4.197 1.000 1.00 0.00 H +ATOM 261 HG2 PRO A 17 6.880 4.973 -1.451 1.00 0.00 H +ATOM 262 HG3 PRO A 17 8.611 5.095 -1.213 1.00 0.00 H +ATOM 263 HD2 PRO A 17 7.476 2.955 -2.467 1.00 0.00 H +ATOM 264 HD3 PRO A 17 8.931 2.771 -1.454 1.00 0.00 H +ATOM 265 N PRO A 18 4.594 3.738 1.736 1.00 0.00 N +ATOM 266 CA PRO A 18 3.165 4.041 1.816 1.00 0.00 C +ATOM 267 C PRO A 18 2.783 5.192 0.871 1.00 0.00 C +ATOM 268 O PRO A 18 3.492 6.199 0.824 1.00 0.00 O +ATOM 269 CB PRO A 18 2.894 4.397 3.281 1.00 0.00 C +ATOM 270 CG PRO A 18 4.254 4.847 3.808 1.00 0.00 C +ATOM 271 CD PRO A 18 5.233 3.978 3.023 1.00 0.00 C +ATOM 272 HA PRO A 18 2.603 3.146 1.565 1.00 0.00 H +ATOM 273 HB2 PRO A 18 2.175 5.190 3.354 1.00 0.00 H +ATOM 274 HB3 PRO A 18 2.571 3.506 3.818 1.00 0.00 H +ATOM 275 HG2 PRO A 18 4.419 5.889 3.610 1.00 0.00 H +ATOM 276 HG3 PRO A 18 4.347 4.691 4.883 1.00 0.00 H +ATOM 277 HD2 PRO A 18 6.166 4.491 2.889 1.00 0.00 H +ATOM 278 HD3 PRO A 18 5.375 3.027 3.537 1.00 0.00 H +ATOM 279 N PRO A 19 1.669 5.075 0.121 1.00 0.00 N +ATOM 280 CA PRO A 19 1.193 6.145 -0.742 1.00 0.00 C +ATOM 281 C PRO A 19 0.412 7.189 0.066 1.00 0.00 C +ATOM 282 O PRO A 19 -0.366 6.839 0.959 1.00 0.00 O +ATOM 283 CB PRO A 19 0.286 5.445 -1.758 1.00 0.00 C +ATOM 284 CG PRO A 19 -0.334 4.311 -0.945 1.00 0.00 C +ATOM 285 CD PRO A 19 0.787 3.922 0.021 1.00 0.00 C +ATOM 286 HA PRO A 19 2.027 6.623 -1.257 1.00 0.00 H +ATOM 287 HB2 PRO A 19 -0.469 6.113 -2.125 1.00 0.00 H +ATOM 288 HB3 PRO A 19 0.899 5.024 -2.558 1.00 0.00 H +ATOM 289 HG2 PRO A 19 -1.202 4.649 -0.412 1.00 0.00 H +ATOM 290 HG3 PRO A 19 -0.632 3.479 -1.581 1.00 0.00 H +ATOM 291 HD2 PRO A 19 0.379 3.683 0.984 1.00 0.00 H +ATOM 292 HD3 PRO A 19 1.349 3.085 -0.391 1.00 0.00 H +ATOM 293 N SER A 20 0.545 8.452 -0.361 1.00 0.00 N +ATOM 294 CA SER A 20 -0.267 9.613 0.032 1.00 0.00 C +ATOM 295 C SER A 20 0.099 10.270 1.361 1.00 0.00 C +ATOM 296 O SER A 20 1.001 9.777 2.071 1.00 0.00 O +ATOM 297 CB SER A 20 -1.745 9.233 0.059 1.00 0.00 C +ATOM 298 OG SER A 20 -2.498 10.392 -0.203 1.00 0.00 O +ATOM 299 OXT SER A 20 -0.596 11.284 1.612 1.00 0.00 O +ATOM 300 H SER A 20 1.265 8.618 -1.047 1.00 0.00 H +ATOM 301 HA SER A 20 -0.121 10.385 -0.723 1.00 0.00 H +ATOM 302 HB2 SER A 20 -1.944 8.492 -0.691 1.00 0.00 H +ATOM 303 HB3 SER A 20 -1.994 8.859 1.055 1.00 0.00 H +ATOM 304 HG SER A 20 -2.028 11.083 0.314 1.00 0.00 H +TER 305 SER A 20 +ENDMDL +MODEL 20 +ATOM 1 N ASN A 1 -8.559 6.374 -1.226 1.00 0.00 N +ATOM 2 CA ASN A 1 -7.539 6.170 -0.168 1.00 0.00 C +ATOM 3 C ASN A 1 -6.191 5.649 -0.655 1.00 0.00 C +ATOM 4 O ASN A 1 -5.194 6.053 -0.072 1.00 0.00 O +ATOM 5 CB ASN A 1 -8.062 5.285 0.966 1.00 0.00 C +ATOM 6 CG ASN A 1 -8.992 6.102 1.840 1.00 0.00 C +ATOM 7 OD1 ASN A 1 -10.159 6.243 1.517 1.00 0.00 O +ATOM 8 ND2 ASN A 1 -8.488 6.730 2.886 1.00 0.00 N +ATOM 9 H1 ASN A 1 -8.207 6.992 -1.945 1.00 0.00 H +ATOM 10 H2 ASN A 1 -8.827 5.491 -1.639 1.00 0.00 H +ATOM 11 H3 ASN A 1 -9.389 6.786 -0.814 1.00 0.00 H +ATOM 12 HA ASN A 1 -7.316 7.145 0.269 1.00 0.00 H +ATOM 13 HB2 ASN A 1 -8.596 4.450 0.554 1.00 0.00 H +ATOM 14 HB3 ASN A 1 -7.238 4.906 1.572 1.00 0.00 H +ATOM 15 HD21 ASN A 1 -7.518 6.672 3.157 1.00 0.00 H +ATOM 16 HD22 ASN A 1 -9.151 7.262 3.426 1.00 0.00 H +ATOM 17 N LEU A 2 -6.126 4.735 -1.642 1.00 0.00 N +ATOM 18 CA LEU A 2 -4.891 4.125 -2.180 1.00 0.00 C +ATOM 19 C LEU A 2 -4.153 3.176 -1.204 1.00 0.00 C +ATOM 20 O LEU A 2 -3.597 2.164 -1.636 1.00 0.00 O +ATOM 21 CB LEU A 2 -3.962 5.228 -2.759 1.00 0.00 C +ATOM 22 CG LEU A 2 -3.563 5.018 -4.237 1.00 0.00 C +ATOM 23 CD1 LEU A 2 -3.974 6.221 -5.092 1.00 0.00 C +ATOM 24 CD2 LEU A 2 -2.055 4.808 -4.389 1.00 0.00 C +ATOM 25 H LEU A 2 -6.972 4.387 -2.062 1.00 0.00 H +ATOM 26 HA LEU A 2 -5.209 3.487 -3.002 1.00 0.00 H +ATOM 27 HB2 LEU A 2 -4.470 6.170 -2.679 1.00 0.00 H +ATOM 28 HB3 LEU A 2 -3.068 5.296 -2.140 1.00 0.00 H +ATOM 29 HG LEU A 2 -4.066 4.139 -4.638 1.00 0.00 H +ATOM 30 HD11 LEU A 2 -5.024 6.461 -4.923 1.00 0.00 H +ATOM 31 HD12 LEU A 2 -3.363 7.091 -4.843 1.00 0.00 H +ATOM 32 HD13 LEU A 2 -3.839 5.983 -6.147 1.00 0.00 H +ATOM 33 HD21 LEU A 2 -1.524 5.712 -4.089 1.00 0.00 H +ATOM 34 HD22 LEU A 2 -1.743 3.967 -3.772 1.00 0.00 H +ATOM 35 HD23 LEU A 2 -1.820 4.596 -5.432 1.00 0.00 H +ATOM 36 N TYR A 3 -4.202 3.452 0.106 1.00 0.00 N +ATOM 37 CA TYR A 3 -3.575 2.669 1.174 1.00 0.00 C +ATOM 38 C TYR A 3 -4.020 1.200 1.203 1.00 0.00 C +ATOM 39 O TYR A 3 -3.195 0.322 1.447 1.00 0.00 O +ATOM 40 CB TYR A 3 -3.843 3.340 2.530 1.00 0.00 C +ATOM 41 CG TYR A 3 -2.673 3.212 3.480 1.00 0.00 C +ATOM 42 CD1 TYR A 3 -2.543 2.088 4.320 1.00 0.00 C +ATOM 43 CD2 TYR A 3 -1.689 4.217 3.496 1.00 0.00 C +ATOM 44 CE1 TYR A 3 -1.427 1.974 5.172 1.00 0.00 C +ATOM 45 CE2 TYR A 3 -0.574 4.112 4.346 1.00 0.00 C +ATOM 46 CZ TYR A 3 -0.438 2.983 5.184 1.00 0.00 C +ATOM 47 OH TYR A 3 0.646 2.858 5.993 1.00 0.00 O +ATOM 48 H TYR A 3 -4.568 4.369 0.345 1.00 0.00 H +ATOM 49 HA TYR A 3 -2.498 2.677 1.000 1.00 0.00 H +ATOM 50 HB2 TYR A 3 -4.041 4.382 2.366 1.00 0.00 H +ATOM 51 HB3 TYR A 3 -4.737 2.911 2.988 1.00 0.00 H +ATOM 52 HD1 TYR A 3 -3.296 1.314 4.305 1.00 0.00 H +ATOM 53 HD2 TYR A 3 -1.794 5.082 2.856 1.00 0.00 H +ATOM 54 HE1 TYR A 3 -1.307 1.120 5.821 1.00 0.00 H +ATOM 55 HE2 TYR A 3 0.166 4.899 4.359 1.00 0.00 H +ATOM 56 HH TYR A 3 1.278 3.565 5.851 1.00 0.00 H +ATOM 57 N ILE A 4 -5.303 0.928 0.911 1.00 0.00 N +ATOM 58 CA ILE A 4 -5.843 -0.436 0.816 1.00 0.00 C +ATOM 59 C ILE A 4 -5.054 -1.237 -0.220 1.00 0.00 C +ATOM 60 O ILE A 4 -4.584 -2.327 0.084 1.00 0.00 O +ATOM 61 CB ILE A 4 -7.357 -0.449 0.483 1.00 0.00 C +ATOM 62 CG1 ILE A 4 -8.184 0.429 1.452 1.00 0.00 C +ATOM 63 CG2 ILE A 4 -7.909 -1.886 0.515 1.00 0.00 C +ATOM 64 CD1 ILE A 4 -8.655 1.719 0.779 1.00 0.00 C +ATOM 65 H ILE A 4 -5.915 1.709 0.742 1.00 0.00 H +ATOM 66 HA ILE A 4 -5.704 -0.925 1.782 1.00 0.00 H +ATOM 67 HB ILE A 4 -7.493 -0.077 -0.536 1.00 0.00 H +ATOM 68 HG12 ILE A 4 -9.042 -0.126 1.779 1.00 0.00 H +ATOM 69 HG13 ILE A 4 -7.595 0.676 2.336 1.00 0.00 H +ATOM 70 HG21 ILE A 4 -7.390 -2.519 -0.204 1.00 0.00 H +ATOM 71 HG22 ILE A 4 -7.795 -2.311 1.514 1.00 0.00 H +ATOM 72 HG23 ILE A 4 -8.968 -1.881 0.251 1.00 0.00 H +ATOM 73 HD11 ILE A 4 -7.807 2.246 0.343 1.00 0.00 H +ATOM 74 HD12 ILE A 4 -9.375 1.482 -0.007 1.00 0.00 H +ATOM 75 HD13 ILE A 4 -9.141 2.352 1.521 1.00 0.00 H +ATOM 76 N GLN A 5 -4.882 -0.682 -1.427 1.00 0.00 N +ATOM 77 CA GLN A 5 -4.187 -1.318 -2.543 1.00 0.00 C +ATOM 78 C GLN A 5 -2.715 -1.599 -2.195 1.00 0.00 C +ATOM 79 O GLN A 5 -2.236 -2.714 -2.401 1.00 0.00 O +ATOM 80 CB GLN A 5 -4.359 -0.428 -3.793 1.00 0.00 C +ATOM 81 CG GLN A 5 -4.481 -1.221 -5.109 1.00 0.00 C +ATOM 82 CD GLN A 5 -3.302 -1.006 -6.054 1.00 0.00 C +ATOM 83 OE1 GLN A 5 -2.144 -1.029 -5.666 1.00 0.00 O +ATOM 84 NE2 GLN A 5 -3.557 -0.777 -7.329 1.00 0.00 N +ATOM 85 H GLN A 5 -5.224 0.258 -1.562 1.00 0.00 H +ATOM 86 HA GLN A 5 -4.671 -2.279 -2.721 1.00 0.00 H +ATOM 87 HB2 GLN A 5 -5.247 0.161 -3.669 1.00 0.00 H +ATOM 88 HB3 GLN A 5 -3.541 0.293 -3.855 1.00 0.00 H +ATOM 89 HG2 GLN A 5 -4.542 -2.266 -4.873 1.00 0.00 H +ATOM 90 HG3 GLN A 5 -5.394 -0.897 -5.613 1.00 0.00 H +ATOM 91 HE21 GLN A 5 -4.491 -0.741 -7.700 1.00 0.00 H +ATOM 92 HE22 GLN A 5 -2.737 -0.694 -7.906 1.00 0.00 H +ATOM 93 N TRP A 6 -2.029 -0.624 -1.578 1.00 0.00 N +ATOM 94 CA TRP A 6 -0.665 -0.788 -1.058 1.00 0.00 C +ATOM 95 C TRP A 6 -0.556 -1.893 0.011 1.00 0.00 C +ATOM 96 O TRP A 6 0.331 -2.745 -0.077 1.00 0.00 O +ATOM 97 CB TRP A 6 -0.159 0.559 -0.523 1.00 0.00 C +ATOM 98 CG TRP A 6 1.225 0.523 0.051 1.00 0.00 C +ATOM 99 CD1 TRP A 6 2.372 0.435 -0.663 1.00 0.00 C +ATOM 100 CD2 TRP A 6 1.630 0.513 1.454 1.00 0.00 C +ATOM 101 NE1 TRP A 6 3.451 0.386 0.196 1.00 0.00 N +ATOM 102 CE2 TRP A 6 3.054 0.444 1.511 1.00 0.00 C +ATOM 103 CE3 TRP A 6 0.945 0.537 2.688 1.00 0.00 C +ATOM 104 CZ2 TRP A 6 3.767 0.433 2.717 1.00 0.00 C +ATOM 105 CZ3 TRP A 6 1.648 0.497 3.907 1.00 0.00 C +ATOM 106 CH2 TRP A 6 3.054 0.465 3.925 1.00 0.00 C +ATOM 107 H TRP A 6 -2.509 0.259 -1.436 1.00 0.00 H +ATOM 108 HA TRP A 6 -0.018 -1.090 -1.882 1.00 0.00 H +ATOM 109 HB2 TRP A 6 -0.168 1.265 -1.331 1.00 0.00 H +ATOM 110 HB3 TRP A 6 -0.840 0.912 0.252 1.00 0.00 H +ATOM 111 HD1 TRP A 6 2.432 0.386 -1.739 1.00 0.00 H +ATOM 112 HE1 TRP A 6 4.433 0.309 -0.087 1.00 0.00 H +ATOM 113 HE3 TRP A 6 -0.135 0.584 2.691 1.00 0.00 H +ATOM 114 HZ2 TRP A 6 4.847 0.386 2.702 1.00 0.00 H +ATOM 115 HZ3 TRP A 6 1.107 0.502 4.843 1.00 0.00 H +ATOM 116 HH2 TRP A 6 3.581 0.457 4.869 1.00 0.00 H +ATOM 117 N LEU A 7 -1.463 -1.916 0.999 1.00 0.00 N +ATOM 118 CA LEU A 7 -1.525 -3.000 1.984 1.00 0.00 C +ATOM 119 C LEU A 7 -1.822 -4.357 1.333 1.00 0.00 C +ATOM 120 O LEU A 7 -1.178 -5.338 1.700 1.00 0.00 O +ATOM 121 CB LEU A 7 -2.557 -2.691 3.086 1.00 0.00 C +ATOM 122 CG LEU A 7 -2.097 -1.666 4.139 1.00 0.00 C +ATOM 123 CD1 LEU A 7 -3.252 -1.407 5.113 1.00 0.00 C +ATOM 124 CD2 LEU A 7 -0.893 -2.152 4.958 1.00 0.00 C +ATOM 125 H LEU A 7 -2.157 -1.171 1.046 1.00 0.00 H +ATOM 126 HA LEU A 7 -0.541 -3.101 2.440 1.00 0.00 H +ATOM 127 HB2 LEU A 7 -3.443 -2.310 2.615 1.00 0.00 H +ATOM 128 HB3 LEU A 7 -2.794 -3.620 3.606 1.00 0.00 H +ATOM 129 HG LEU A 7 -1.835 -0.730 3.648 1.00 0.00 H +ATOM 130 HD11 LEU A 7 -4.113 -1.019 4.569 1.00 0.00 H +ATOM 131 HD12 LEU A 7 -3.533 -2.334 5.614 1.00 0.00 H +ATOM 132 HD13 LEU A 7 -2.951 -0.680 5.866 1.00 0.00 H +ATOM 133 HD21 LEU A 7 -1.114 -3.120 5.409 1.00 0.00 H +ATOM 134 HD22 LEU A 7 -0.012 -2.241 4.326 1.00 0.00 H +ATOM 135 HD23 LEU A 7 -0.668 -1.436 5.747 1.00 0.00 H +ATOM 136 N LYS A 8 -2.738 -4.419 0.353 1.00 0.00 N +ATOM 137 CA LYS A 8 -3.104 -5.647 -0.376 1.00 0.00 C +ATOM 138 C LYS A 8 -1.891 -6.322 -1.027 1.00 0.00 C +ATOM 139 O LYS A 8 -1.817 -7.547 -1.040 1.00 0.00 O +ATOM 140 CB LYS A 8 -4.205 -5.340 -1.415 1.00 0.00 C +ATOM 141 CG LYS A 8 -5.335 -6.380 -1.451 1.00 0.00 C +ATOM 142 CD LYS A 8 -4.972 -7.663 -2.207 1.00 0.00 C +ATOM 143 CE LYS A 8 -6.125 -8.664 -2.114 1.00 0.00 C +ATOM 144 NZ LYS A 8 -5.771 -9.943 -2.773 1.00 0.00 N +ATOM 145 H LYS A 8 -3.250 -3.563 0.145 1.00 0.00 H +ATOM 146 HA LYS A 8 -3.490 -6.354 0.358 1.00 0.00 H +ATOM 147 HB2 LYS A 8 -4.633 -4.384 -1.181 1.00 0.00 H +ATOM 148 HB3 LYS A 8 -3.770 -5.224 -2.411 1.00 0.00 H +ATOM 149 HG2 LYS A 8 -5.586 -6.642 -0.441 1.00 0.00 H +ATOM 150 HG3 LYS A 8 -6.197 -5.928 -1.944 1.00 0.00 H +ATOM 151 HD2 LYS A 8 -4.786 -7.429 -3.237 1.00 0.00 H +ATOM 152 HD3 LYS A 8 -4.085 -8.111 -1.765 1.00 0.00 H +ATOM 153 HE2 LYS A 8 -6.345 -8.851 -1.081 1.00 0.00 H +ATOM 154 HE3 LYS A 8 -7.012 -8.228 -2.581 1.00 0.00 H +ATOM 155 HZ1 LYS A 8 -5.589 -9.789 -3.756 1.00 0.00 H +ATOM 156 HZ2 LYS A 8 -4.937 -10.327 -2.348 1.00 0.00 H +ATOM 157 HZ3 LYS A 8 -6.525 -10.610 -2.677 1.00 0.00 H +ATOM 158 N ASP A 9 -0.939 -5.531 -1.526 1.00 0.00 N +ATOM 159 CA ASP A 9 0.321 -6.020 -2.093 1.00 0.00 C +ATOM 160 C ASP A 9 1.283 -6.607 -1.037 1.00 0.00 C +ATOM 161 O ASP A 9 2.139 -7.419 -1.377 1.00 0.00 O +ATOM 162 CB ASP A 9 0.989 -4.858 -2.850 1.00 0.00 C +ATOM 163 CG ASP A 9 1.796 -5.335 -4.057 1.00 0.00 C +ATOM 164 OD1 ASP A 9 1.163 -5.904 -4.975 1.00 0.00 O +ATOM 165 OD2 ASP A 9 3.019 -5.073 -4.070 1.00 0.00 O +ATOM 166 H ASP A 9 -1.118 -4.533 -1.538 1.00 0.00 H +ATOM 167 HA ASP A 9 0.090 -6.813 -2.809 1.00 0.00 H +ATOM 168 HB2 ASP A 9 0.226 -4.185 -3.190 1.00 0.00 H +ATOM 169 HB3 ASP A 9 1.629 -4.297 -2.165 1.00 0.00 H +ATOM 170 N GLY A 10 1.133 -6.217 0.240 1.00 0.00 N +ATOM 171 CA GLY A 10 2.010 -6.592 1.355 1.00 0.00 C +ATOM 172 C GLY A 10 2.573 -5.411 2.161 1.00 0.00 C +ATOM 173 O GLY A 10 3.398 -5.625 3.054 1.00 0.00 O +ATOM 174 H GLY A 10 0.303 -5.675 0.461 1.00 0.00 H +ATOM 175 HA2 GLY A 10 1.445 -7.224 2.039 1.00 0.00 H +ATOM 176 HA3 GLY A 10 2.855 -7.173 0.983 1.00 0.00 H +ATOM 177 N GLY A 11 2.155 -4.169 1.875 1.00 0.00 N +ATOM 178 CA GLY A 11 2.637 -2.966 2.554 1.00 0.00 C +ATOM 179 C GLY A 11 4.173 -2.844 2.510 1.00 0.00 C +ATOM 180 O GLY A 11 4.743 -2.864 1.419 1.00 0.00 O +ATOM 181 H GLY A 11 1.499 -4.036 1.112 1.00 0.00 H +ATOM 182 HA2 GLY A 11 2.212 -2.097 2.057 1.00 0.00 H +ATOM 183 HA3 GLY A 11 2.276 -2.984 3.579 1.00 0.00 H +ATOM 184 N PRO A 12 4.876 -2.729 3.659 1.00 0.00 N +ATOM 185 CA PRO A 12 6.341 -2.693 3.687 1.00 0.00 C +ATOM 186 C PRO A 12 7.005 -3.929 3.062 1.00 0.00 C +ATOM 187 O PRO A 12 8.095 -3.815 2.504 1.00 0.00 O +ATOM 188 CB PRO A 12 6.736 -2.568 5.165 1.00 0.00 C +ATOM 189 CG PRO A 12 5.479 -2.037 5.847 1.00 0.00 C +ATOM 190 CD PRO A 12 4.350 -2.640 5.013 1.00 0.00 C +ATOM 191 HA PRO A 12 6.678 -1.805 3.152 1.00 0.00 H +ATOM 192 HB2 PRO A 12 7.012 -3.524 5.567 1.00 0.00 H +ATOM 193 HB3 PRO A 12 7.579 -1.889 5.296 1.00 0.00 H +ATOM 194 HG2 PRO A 12 5.424 -2.369 6.866 1.00 0.00 H +ATOM 195 HG3 PRO A 12 5.453 -0.949 5.767 1.00 0.00 H +ATOM 196 HD2 PRO A 12 4.091 -3.614 5.380 1.00 0.00 H +ATOM 197 HD3 PRO A 12 3.468 -2.003 5.070 1.00 0.00 H +ATOM 198 N SER A 13 6.350 -5.101 3.114 1.00 0.00 N +ATOM 199 CA SER A 13 6.894 -6.348 2.558 1.00 0.00 C +ATOM 200 C SER A 13 7.064 -6.302 1.037 1.00 0.00 C +ATOM 201 O SER A 13 7.806 -7.118 0.493 1.00 0.00 O +ATOM 202 CB SER A 13 5.994 -7.536 2.906 1.00 0.00 C +ATOM 203 OG SER A 13 6.670 -8.733 2.580 1.00 0.00 O +ATOM 204 H SER A 13 5.406 -5.120 3.489 1.00 0.00 H +ATOM 205 HA SER A 13 7.875 -6.522 3.002 1.00 0.00 H +ATOM 206 HB2 SER A 13 5.770 -7.523 3.955 1.00 0.00 H +ATOM 207 HB3 SER A 13 5.068 -7.474 2.335 1.00 0.00 H +ATOM 208 HG SER A 13 7.095 -8.611 1.716 1.00 0.00 H +ATOM 209 N SER A 14 6.380 -5.370 0.366 1.00 0.00 N +ATOM 210 CA SER A 14 6.436 -5.119 -1.073 1.00 0.00 C +ATOM 211 C SER A 14 7.612 -4.213 -1.472 1.00 0.00 C +ATOM 212 O SER A 14 7.787 -3.922 -2.655 1.00 0.00 O +ATOM 213 CB SER A 14 5.135 -4.433 -1.522 1.00 0.00 C +ATOM 214 OG SER A 14 4.021 -4.846 -0.754 1.00 0.00 O +ATOM 215 H SER A 14 5.700 -4.806 0.866 1.00 0.00 H +ATOM 216 HA SER A 14 6.525 -6.070 -1.599 1.00 0.00 H +ATOM 217 HB2 SER A 14 5.251 -3.371 -1.420 1.00 0.00 H +ATOM 218 HB3 SER A 14 4.963 -4.657 -2.575 1.00 0.00 H +ATOM 219 HG SER A 14 3.267 -4.316 -1.024 1.00 0.00 H +ATOM 220 N GLY A 15 8.377 -3.685 -0.506 1.00 0.00 N +ATOM 221 CA GLY A 15 9.506 -2.771 -0.715 1.00 0.00 C +ATOM 222 C GLY A 15 9.108 -1.335 -1.091 1.00 0.00 C +ATOM 223 O GLY A 15 9.766 -0.389 -0.660 1.00 0.00 O +ATOM 224 H GLY A 15 8.157 -3.928 0.457 1.00 0.00 H +ATOM 225 HA2 GLY A 15 10.096 -2.732 0.199 1.00 0.00 H +ATOM 226 HA3 GLY A 15 10.140 -3.166 -1.510 1.00 0.00 H +ATOM 227 N ARG A 16 8.034 -1.153 -1.871 1.00 0.00 N +ATOM 228 CA ARG A 16 7.469 0.154 -2.234 1.00 0.00 C +ATOM 229 C ARG A 16 6.973 0.913 -0.978 1.00 0.00 C +ATOM 230 O ARG A 16 6.211 0.332 -0.200 1.00 0.00 O +ATOM 231 CB ARG A 16 6.320 -0.061 -3.236 1.00 0.00 C +ATOM 232 CG ARG A 16 5.701 1.259 -3.728 1.00 0.00 C +ATOM 233 CD ARG A 16 4.282 1.081 -4.280 1.00 0.00 C +ATOM 234 NE ARG A 16 3.436 2.223 -3.888 1.00 0.00 N +ATOM 235 CZ ARG A 16 2.113 2.270 -3.848 1.00 0.00 C +ATOM 236 NH1 ARG A 16 1.365 1.261 -4.236 1.00 0.00 N +ATOM 237 NH2 ARG A 16 1.519 3.348 -3.396 1.00 0.00 N +ATOM 238 H ARG A 16 7.609 -2.003 -2.232 1.00 0.00 H +ATOM 239 HA ARG A 16 8.260 0.723 -2.719 1.00 0.00 H +ATOM 240 HB2 ARG A 16 6.701 -0.598 -4.084 1.00 0.00 H +ATOM 241 HB3 ARG A 16 5.552 -0.663 -2.744 1.00 0.00 H +ATOM 242 HG2 ARG A 16 5.665 1.948 -2.906 1.00 0.00 H +ATOM 243 HG3 ARG A 16 6.342 1.711 -4.487 1.00 0.00 H +ATOM 244 HD2 ARG A 16 4.323 1.021 -5.351 1.00 0.00 H +ATOM 245 HD3 ARG A 16 3.851 0.165 -3.875 1.00 0.00 H +ATOM 246 HE ARG A 16 3.920 3.015 -3.494 1.00 0.00 H +ATOM 247 HH11 ARG A 16 1.821 0.446 -4.608 1.00 0.00 H +ATOM 248 HH12 ARG A 16 0.362 1.295 -4.201 1.00 0.00 H +ATOM 249 HH21 ARG A 16 2.072 4.122 -3.070 1.00 0.00 H +ATOM 250 HH22 ARG A 16 0.518 3.399 -3.384 1.00 0.00 H +ATOM 251 N PRO A 17 7.293 2.215 -0.808 1.00 0.00 N +ATOM 252 CA PRO A 17 6.771 3.037 0.288 1.00 0.00 C +ATOM 253 C PRO A 17 5.246 3.279 0.193 1.00 0.00 C +ATOM 254 O PRO A 17 4.657 3.102 -0.882 1.00 0.00 O +ATOM 255 CB PRO A 17 7.554 4.355 0.201 1.00 0.00 C +ATOM 256 CG PRO A 17 7.898 4.468 -1.280 1.00 0.00 C +ATOM 257 CD PRO A 17 8.151 3.015 -1.674 1.00 0.00 C +ATOM 258 HA PRO A 17 6.993 2.548 1.239 1.00 0.00 H +ATOM 259 HB2 PRO A 17 6.949 5.182 0.518 1.00 0.00 H +ATOM 260 HB3 PRO A 17 8.473 4.272 0.782 1.00 0.00 H +ATOM 261 HG2 PRO A 17 7.081 4.884 -1.837 1.00 0.00 H +ATOM 262 HG3 PRO A 17 8.774 5.093 -1.450 1.00 0.00 H +ATOM 263 HD2 PRO A 17 7.895 2.857 -2.704 1.00 0.00 H +ATOM 264 HD3 PRO A 17 9.194 2.757 -1.486 1.00 0.00 H +ATOM 265 N PRO A 18 4.597 3.714 1.294 1.00 0.00 N +ATOM 266 CA PRO A 18 3.162 3.983 1.317 1.00 0.00 C +ATOM 267 C PRO A 18 2.768 5.182 0.431 1.00 0.00 C +ATOM 268 O PRO A 18 3.608 6.024 0.114 1.00 0.00 O +ATOM 269 CB PRO A 18 2.811 4.228 2.790 1.00 0.00 C +ATOM 270 CG PRO A 18 4.117 4.740 3.389 1.00 0.00 C +ATOM 271 CD PRO A 18 5.176 3.963 2.610 1.00 0.00 C +ATOM 272 HA PRO A 18 2.635 3.096 0.970 1.00 0.00 H +ATOM 273 HB2 PRO A 18 2.034 4.962 2.882 1.00 0.00 H +ATOM 274 HB3 PRO A 18 2.539 3.285 3.264 1.00 0.00 H +ATOM 275 HG2 PRO A 18 4.224 5.797 3.237 1.00 0.00 H +ATOM 276 HG3 PRO A 18 4.178 4.547 4.461 1.00 0.00 H +ATOM 277 HD2 PRO A 18 6.074 4.543 2.520 1.00 0.00 H +ATOM 278 HD3 PRO A 18 5.373 3.011 3.105 1.00 0.00 H +ATOM 279 N PRO A 19 1.485 5.278 0.026 1.00 0.00 N +ATOM 280 CA PRO A 19 0.982 6.372 -0.808 1.00 0.00 C +ATOM 281 C PRO A 19 0.682 7.673 -0.045 1.00 0.00 C +ATOM 282 O PRO A 19 0.626 8.727 -0.675 1.00 0.00 O +ATOM 283 CB PRO A 19 -0.302 5.824 -1.426 1.00 0.00 C +ATOM 284 CG PRO A 19 -0.825 4.851 -0.371 1.00 0.00 C +ATOM 285 CD PRO A 19 0.452 4.272 0.229 1.00 0.00 C +ATOM 286 HA PRO A 19 1.699 6.601 -1.599 1.00 0.00 H +ATOM 287 HB2 PRO A 19 -1.008 6.612 -1.603 1.00 0.00 H +ATOM 288 HB3 PRO A 19 -0.052 5.278 -2.333 1.00 0.00 H +ATOM 289 HG2 PRO A 19 -1.402 5.364 0.374 1.00 0.00 H +ATOM 290 HG3 PRO A 19 -1.440 4.069 -0.815 1.00 0.00 H +ATOM 291 HD2 PRO A 19 0.318 4.081 1.276 1.00 0.00 H +ATOM 292 HD3 PRO A 19 0.728 3.363 -0.309 1.00 0.00 H +ATOM 293 N SER A 20 0.482 7.598 1.276 1.00 0.00 N +ATOM 294 CA SER A 20 0.266 8.724 2.196 1.00 0.00 C +ATOM 295 C SER A 20 1.329 8.752 3.288 1.00 0.00 C +ATOM 296 O SER A 20 1.742 7.644 3.706 1.00 0.00 O +ATOM 297 CB SER A 20 -1.141 8.690 2.805 1.00 0.00 C +ATOM 298 OG SER A 20 -1.374 7.496 3.524 1.00 0.00 O +ATOM 299 OXT SER A 20 1.652 9.878 3.716 1.00 0.00 O +ATOM 300 H SER A 20 0.581 6.704 1.731 1.00 0.00 H +ATOM 301 HA SER A 20 0.368 9.660 1.645 1.00 0.00 H +ATOM 302 HB2 SER A 20 -1.251 9.524 3.471 1.00 0.00 H +ATOM 303 HB3 SER A 20 -1.884 8.784 2.011 1.00 0.00 H +ATOM 304 HG SER A 20 -0.759 7.480 4.268 1.00 0.00 H +TER 305 SER A 20 +ENDMDL +MODEL 21 +ATOM 1 N ASN A 1 -8.205 5.399 0.404 1.00 0.00 N +ATOM 2 CA ASN A 1 -8.421 4.425 -0.695 1.00 0.00 C +ATOM 3 C ASN A 1 -7.126 3.775 -1.163 1.00 0.00 C +ATOM 4 O ASN A 1 -6.987 2.568 -1.004 1.00 0.00 O +ATOM 5 CB ASN A 1 -9.214 5.043 -1.856 1.00 0.00 C +ATOM 6 CG ASN A 1 -10.664 5.161 -1.424 1.00 0.00 C +ATOM 7 OD1 ASN A 1 -10.997 6.047 -0.655 1.00 0.00 O +ATOM 8 ND2 ASN A 1 -11.516 4.226 -1.803 1.00 0.00 N +ATOM 9 H1 ASN A 1 -7.624 4.992 1.125 1.00 0.00 H +ATOM 10 H2 ASN A 1 -7.759 6.235 0.050 1.00 0.00 H +ATOM 11 H3 ASN A 1 -9.098 5.664 0.802 1.00 0.00 H +ATOM 12 HA ASN A 1 -9.021 3.603 -0.300 1.00 0.00 H +ATOM 13 HB2 ASN A 1 -8.823 6.015 -2.087 1.00 0.00 H +ATOM 14 HB3 ASN A 1 -9.147 4.412 -2.743 1.00 0.00 H +ATOM 15 HD21 ASN A 1 -11.263 3.457 -2.402 1.00 0.00 H +ATOM 16 HD22 ASN A 1 -12.463 4.349 -1.476 1.00 0.00 H +ATOM 17 N LEU A 2 -6.172 4.549 -1.692 1.00 0.00 N +ATOM 18 CA LEU A 2 -4.889 4.051 -2.203 1.00 0.00 C +ATOM 19 C LEU A 2 -4.114 3.184 -1.190 1.00 0.00 C +ATOM 20 O LEU A 2 -3.509 2.181 -1.570 1.00 0.00 O +ATOM 21 CB LEU A 2 -4.073 5.277 -2.655 1.00 0.00 C +ATOM 22 CG LEU A 2 -4.033 5.475 -4.183 1.00 0.00 C +ATOM 23 CD1 LEU A 2 -4.073 6.965 -4.529 1.00 0.00 C +ATOM 24 CD2 LEU A 2 -2.762 4.845 -4.764 1.00 0.00 C +ATOM 25 H LEU A 2 -6.330 5.538 -1.816 1.00 0.00 H +ATOM 26 HA LEU A 2 -5.081 3.408 -3.065 1.00 0.00 H +ATOM 27 HB2 LEU A 2 -4.507 6.153 -2.213 1.00 0.00 H +ATOM 28 HB3 LEU A 2 -3.055 5.173 -2.305 1.00 0.00 H +ATOM 29 HG LEU A 2 -4.900 4.998 -4.643 1.00 0.00 H +ATOM 30 HD11 LEU A 2 -5.100 7.324 -4.467 1.00 0.00 H +ATOM 31 HD12 LEU A 2 -3.450 7.536 -3.839 1.00 0.00 H +ATOM 32 HD13 LEU A 2 -3.711 7.128 -5.545 1.00 0.00 H +ATOM 33 HD21 LEU A 2 -1.884 5.386 -4.413 1.00 0.00 H +ATOM 34 HD22 LEU A 2 -2.688 3.801 -4.461 1.00 0.00 H +ATOM 35 HD23 LEU A 2 -2.792 4.898 -5.853 1.00 0.00 H +ATOM 36 N TYR A 3 -4.187 3.525 0.103 1.00 0.00 N +ATOM 37 CA TYR A 3 -3.556 2.775 1.192 1.00 0.00 C +ATOM 38 C TYR A 3 -4.000 1.305 1.250 1.00 0.00 C +ATOM 39 O TYR A 3 -3.195 0.429 1.563 1.00 0.00 O +ATOM 40 CB TYR A 3 -3.840 3.474 2.532 1.00 0.00 C +ATOM 41 CG TYR A 3 -2.641 3.483 3.456 1.00 0.00 C +ATOM 42 CD1 TYR A 3 -2.318 2.335 4.203 1.00 0.00 C +ATOM 43 CD2 TYR A 3 -1.834 4.634 3.549 1.00 0.00 C +ATOM 44 CE1 TYR A 3 -1.190 2.334 5.043 1.00 0.00 C +ATOM 45 CE2 TYR A 3 -0.712 4.643 4.398 1.00 0.00 C +ATOM 46 CZ TYR A 3 -0.385 3.488 5.143 1.00 0.00 C +ATOM 47 OH TYR A 3 0.689 3.483 5.975 1.00 0.00 O +ATOM 48 H TYR A 3 -4.659 4.384 0.331 1.00 0.00 H +ATOM 49 HA TYR A 3 -2.477 2.787 1.022 1.00 0.00 H +ATOM 50 HB2 TYR A 3 -4.128 4.489 2.335 1.00 0.00 H +ATOM 51 HB3 TYR A 3 -4.675 2.981 3.036 1.00 0.00 H +ATOM 52 HD1 TYR A 3 -2.934 1.451 4.126 1.00 0.00 H +ATOM 53 HD2 TYR A 3 -2.071 5.516 2.968 1.00 0.00 H +ATOM 54 HE1 TYR A 3 -0.931 1.461 5.624 1.00 0.00 H +ATOM 55 HE2 TYR A 3 -0.096 5.527 4.474 1.00 0.00 H +ATOM 56 HH TYR A 3 0.536 4.026 6.750 1.00 0.00 H +ATOM 57 N ILE A 4 -5.268 1.027 0.907 1.00 0.00 N +ATOM 58 CA ILE A 4 -5.809 -0.333 0.842 1.00 0.00 C +ATOM 59 C ILE A 4 -5.065 -1.132 -0.228 1.00 0.00 C +ATOM 60 O ILE A 4 -4.619 -2.244 0.044 1.00 0.00 O +ATOM 61 CB ILE A 4 -7.333 -0.322 0.572 1.00 0.00 C +ATOM 62 CG1 ILE A 4 -8.130 0.602 1.523 1.00 0.00 C +ATOM 63 CG2 ILE A 4 -7.912 -1.748 0.626 1.00 0.00 C +ATOM 64 CD1 ILE A 4 -7.837 0.419 3.019 1.00 0.00 C +ATOM 65 H ILE A 4 -5.853 1.783 0.573 1.00 0.00 H +ATOM 66 HA ILE A 4 -5.628 -0.825 1.798 1.00 0.00 H +ATOM 67 HB ILE A 4 -7.498 0.045 -0.442 1.00 0.00 H +ATOM 68 HG12 ILE A 4 -7.904 1.618 1.263 1.00 0.00 H +ATOM 69 HG13 ILE A 4 -9.195 0.439 1.352 1.00 0.00 H +ATOM 70 HG21 ILE A 4 -7.438 -2.382 -0.123 1.00 0.00 H +ATOM 71 HG22 ILE A 4 -7.755 -2.190 1.610 1.00 0.00 H +ATOM 72 HG23 ILE A 4 -8.983 -1.721 0.418 1.00 0.00 H +ATOM 73 HD11 ILE A 4 -7.575 -0.614 3.246 1.00 0.00 H +ATOM 74 HD12 ILE A 4 -7.012 1.067 3.316 1.00 0.00 H +ATOM 75 HD13 ILE A 4 -8.722 0.689 3.595 1.00 0.00 H +ATOM 76 N GLN A 5 -4.894 -0.554 -1.425 1.00 0.00 N +ATOM 77 CA GLN A 5 -4.180 -1.182 -2.538 1.00 0.00 C +ATOM 78 C GLN A 5 -2.711 -1.453 -2.172 1.00 0.00 C +ATOM 79 O GLN A 5 -2.211 -2.547 -2.418 1.00 0.00 O +ATOM 80 CB GLN A 5 -4.321 -0.301 -3.794 1.00 0.00 C +ATOM 81 CG GLN A 5 -4.173 -1.098 -5.104 1.00 0.00 C +ATOM 82 CD GLN A 5 -2.956 -0.675 -5.920 1.00 0.00 C +ATOM 83 OE1 GLN A 5 -1.933 -1.333 -5.943 1.00 0.00 O +ATOM 84 NE2 GLN A 5 -3.020 0.437 -6.629 1.00 0.00 N +ATOM 85 H GLN A 5 -5.218 0.396 -1.539 1.00 0.00 H +ATOM 86 HA GLN A 5 -4.656 -2.143 -2.729 1.00 0.00 H +ATOM 87 HB2 GLN A 5 -5.289 0.161 -3.782 1.00 0.00 H +ATOM 88 HB3 GLN A 5 -3.593 0.512 -3.762 1.00 0.00 H +ATOM 89 HG2 GLN A 5 -4.079 -2.139 -4.863 1.00 0.00 H +ATOM 90 HG3 GLN A 5 -5.066 -0.948 -5.712 1.00 0.00 H +ATOM 91 HE21 GLN A 5 -3.834 1.023 -6.661 1.00 0.00 H +ATOM 92 HE22 GLN A 5 -2.179 0.616 -7.149 1.00 0.00 H +ATOM 93 N TRP A 6 -2.050 -0.491 -1.510 1.00 0.00 N +ATOM 94 CA TRP A 6 -0.682 -0.649 -1.004 1.00 0.00 C +ATOM 95 C TRP A 6 -0.552 -1.777 0.033 1.00 0.00 C +ATOM 96 O TRP A 6 0.343 -2.619 -0.074 1.00 0.00 O +ATOM 97 CB TRP A 6 -0.195 0.683 -0.426 1.00 0.00 C +ATOM 98 CG TRP A 6 1.199 0.640 0.118 1.00 0.00 C +ATOM 99 CD1 TRP A 6 2.328 0.641 -0.626 1.00 0.00 C +ATOM 100 CD2 TRP A 6 1.638 0.542 1.510 1.00 0.00 C +ATOM 101 NE1 TRP A 6 3.424 0.533 0.208 1.00 0.00 N +ATOM 102 CE2 TRP A 6 3.060 0.471 1.527 1.00 0.00 C +ATOM 103 CE3 TRP A 6 0.987 0.512 2.761 1.00 0.00 C +ATOM 104 CZ2 TRP A 6 3.807 0.373 2.709 1.00 0.00 C +ATOM 105 CZ3 TRP A 6 1.723 0.410 3.959 1.00 0.00 C +ATOM 106 CH2 TRP A 6 3.128 0.343 3.936 1.00 0.00 C +ATOM 107 H TRP A 6 -2.536 0.387 -1.350 1.00 0.00 H +ATOM 108 HA TRP A 6 -0.035 -0.916 -1.840 1.00 0.00 H +ATOM 109 HB2 TRP A 6 -0.231 1.421 -1.204 1.00 0.00 H +ATOM 110 HB3 TRP A 6 -0.865 0.995 0.375 1.00 0.00 H +ATOM 111 HD1 TRP A 6 2.362 0.708 -1.706 1.00 0.00 H +ATOM 112 HE1 TRP A 6 4.401 0.535 -0.078 1.00 0.00 H +ATOM 113 HE3 TRP A 6 -0.088 0.583 2.787 1.00 0.00 H +ATOM 114 HZ2 TRP A 6 4.885 0.322 2.660 1.00 0.00 H +ATOM 115 HZ3 TRP A 6 1.210 0.395 4.909 1.00 0.00 H +ATOM 116 HH2 TRP A 6 3.683 0.276 4.862 1.00 0.00 H +ATOM 117 N LEU A 7 -1.451 -1.826 1.027 1.00 0.00 N +ATOM 118 CA LEU A 7 -1.482 -2.920 2.000 1.00 0.00 C +ATOM 119 C LEU A 7 -1.770 -4.274 1.337 1.00 0.00 C +ATOM 120 O LEU A 7 -1.172 -5.271 1.735 1.00 0.00 O +ATOM 121 CB LEU A 7 -2.494 -2.616 3.120 1.00 0.00 C +ATOM 122 CG LEU A 7 -2.022 -1.536 4.111 1.00 0.00 C +ATOM 123 CD1 LEU A 7 -3.153 -1.196 5.086 1.00 0.00 C +ATOM 124 CD2 LEU A 7 -0.804 -1.981 4.934 1.00 0.00 C +ATOM 125 H LEU A 7 -2.149 -1.086 1.092 1.00 0.00 H +ATOM 126 HA LEU A 7 -0.489 -3.014 2.435 1.00 0.00 H +ATOM 127 HB2 LEU A 7 -3.409 -2.283 2.668 1.00 0.00 H +ATOM 128 HB3 LEU A 7 -2.686 -3.532 3.681 1.00 0.00 H +ATOM 129 HG LEU A 7 -1.764 -0.633 3.565 1.00 0.00 H +ATOM 130 HD11 LEU A 7 -4.027 -0.854 4.530 1.00 0.00 H +ATOM 131 HD12 LEU A 7 -3.418 -2.076 5.672 1.00 0.00 H +ATOM 132 HD13 LEU A 7 -2.833 -0.402 5.761 1.00 0.00 H +ATOM 133 HD21 LEU A 7 -1.025 -2.912 5.456 1.00 0.00 H +ATOM 134 HD22 LEU A 7 0.060 -2.128 4.287 1.00 0.00 H +ATOM 135 HD23 LEU A 7 -0.552 -1.214 5.664 1.00 0.00 H +ATOM 136 N LYS A 8 -2.622 -4.312 0.302 1.00 0.00 N +ATOM 137 CA LYS A 8 -2.964 -5.533 -0.446 1.00 0.00 C +ATOM 138 C LYS A 8 -1.748 -6.215 -1.087 1.00 0.00 C +ATOM 139 O LYS A 8 -1.680 -7.440 -1.095 1.00 0.00 O +ATOM 140 CB LYS A 8 -4.040 -5.202 -1.495 1.00 0.00 C +ATOM 141 CG LYS A 8 -5.019 -6.365 -1.703 1.00 0.00 C +ATOM 142 CD LYS A 8 -6.311 -5.884 -2.382 1.00 0.00 C +ATOM 143 CE LYS A 8 -7.429 -6.917 -2.201 1.00 0.00 C +ATOM 144 NZ LYS A 8 -8.063 -6.804 -0.863 1.00 0.00 N +ATOM 145 H LYS A 8 -3.107 -3.448 0.065 1.00 0.00 H +ATOM 146 HA LYS A 8 -3.372 -6.243 0.275 1.00 0.00 H +ATOM 147 HB2 LYS A 8 -4.590 -4.341 -1.167 1.00 0.00 H +ATOM 148 HB3 LYS A 8 -3.577 -4.927 -2.444 1.00 0.00 H +ATOM 149 HG2 LYS A 8 -4.554 -7.109 -2.321 1.00 0.00 H +ATOM 150 HG3 LYS A 8 -5.268 -6.792 -0.732 1.00 0.00 H +ATOM 151 HD2 LYS A 8 -6.615 -4.953 -1.943 1.00 0.00 H +ATOM 152 HD3 LYS A 8 -6.116 -5.737 -3.446 1.00 0.00 H +ATOM 153 HE2 LYS A 8 -8.176 -6.759 -2.955 1.00 0.00 H +ATOM 154 HE3 LYS A 8 -6.998 -7.914 -2.334 1.00 0.00 H +ATOM 155 HZ1 LYS A 8 -7.353 -6.774 -0.143 1.00 0.00 H +ATOM 156 HZ2 LYS A 8 -8.612 -5.957 -0.808 1.00 0.00 H +ATOM 157 HZ3 LYS A 8 -8.670 -7.595 -0.691 1.00 0.00 H +ATOM 158 N ASP A 9 -0.774 -5.426 -1.557 1.00 0.00 N +ATOM 159 CA ASP A 9 0.530 -5.873 -2.078 1.00 0.00 C +ATOM 160 C ASP A 9 1.485 -6.399 -0.981 1.00 0.00 C +ATOM 161 O ASP A 9 2.573 -6.882 -1.301 1.00 0.00 O +ATOM 162 CB ASP A 9 1.212 -4.694 -2.814 1.00 0.00 C +ATOM 163 CG ASP A 9 1.583 -4.991 -4.272 1.00 0.00 C +ATOM 164 OD1 ASP A 9 0.662 -5.343 -5.038 1.00 0.00 O +ATOM 165 OD2 ASP A 9 2.782 -4.809 -4.612 1.00 0.00 O +ATOM 166 H ASP A 9 -0.962 -4.430 -1.556 1.00 0.00 H +ATOM 167 HA ASP A 9 0.358 -6.689 -2.785 1.00 0.00 H +ATOM 168 HB2 ASP A 9 0.541 -3.857 -2.802 1.00 0.00 H +ATOM 169 HB3 ASP A 9 2.121 -4.414 -2.279 1.00 0.00 H +ATOM 170 N GLY A 10 1.125 -6.270 0.304 1.00 0.00 N +ATOM 171 CA GLY A 10 1.936 -6.685 1.451 1.00 0.00 C +ATOM 172 C GLY A 10 2.565 -5.530 2.237 1.00 0.00 C +ATOM 173 O GLY A 10 3.424 -5.778 3.084 1.00 0.00 O +ATOM 174 H GLY A 10 0.211 -5.877 0.508 1.00 0.00 H +ATOM 175 HA2 GLY A 10 1.298 -7.243 2.136 1.00 0.00 H +ATOM 176 HA3 GLY A 10 2.735 -7.352 1.125 1.00 0.00 H +ATOM 177 N GLY A 11 2.184 -4.272 1.973 1.00 0.00 N +ATOM 178 CA GLY A 11 2.732 -3.116 2.683 1.00 0.00 C +ATOM 179 C GLY A 11 4.265 -3.035 2.545 1.00 0.00 C +ATOM 180 O GLY A 11 4.771 -3.134 1.422 1.00 0.00 O +ATOM 181 H GLY A 11 1.507 -4.103 1.237 1.00 0.00 H +ATOM 182 HA2 GLY A 11 2.296 -2.204 2.279 1.00 0.00 H +ATOM 183 HA3 GLY A 11 2.443 -3.201 3.729 1.00 0.00 H +ATOM 184 N PRO A 12 5.029 -2.881 3.651 1.00 0.00 N +ATOM 185 CA PRO A 12 6.491 -2.829 3.600 1.00 0.00 C +ATOM 186 C PRO A 12 7.138 -4.072 2.966 1.00 0.00 C +ATOM 187 O PRO A 12 8.211 -3.949 2.375 1.00 0.00 O +ATOM 188 CB PRO A 12 6.970 -2.642 5.048 1.00 0.00 C +ATOM 189 CG PRO A 12 5.734 -2.162 5.806 1.00 0.00 C +ATOM 190 CD PRO A 12 4.578 -2.795 5.033 1.00 0.00 C +ATOM 191 HA PRO A 12 6.783 -1.953 3.019 1.00 0.00 H +ATOM 192 HB2 PRO A 12 7.325 -3.570 5.452 1.00 0.00 H +ATOM 193 HB3 PRO A 12 7.775 -1.907 5.107 1.00 0.00 H +ATOM 194 HG2 PRO A 12 5.750 -2.505 6.823 1.00 0.00 H +ATOM 195 HG3 PRO A 12 5.663 -1.077 5.744 1.00 0.00 H +ATOM 196 HD2 PRO A 12 4.362 -3.773 5.418 1.00 0.00 H +ATOM 197 HD3 PRO A 12 3.684 -2.179 5.140 1.00 0.00 H +ATOM 198 N SER A 13 6.492 -5.249 3.030 1.00 0.00 N +ATOM 199 CA SER A 13 7.032 -6.510 2.502 1.00 0.00 C +ATOM 200 C SER A 13 7.252 -6.475 0.991 1.00 0.00 C +ATOM 201 O SER A 13 8.198 -7.085 0.501 1.00 0.00 O +ATOM 202 CB SER A 13 6.085 -7.675 2.806 1.00 0.00 C +ATOM 203 OG SER A 13 5.872 -7.807 4.197 1.00 0.00 O +ATOM 204 H SER A 13 5.578 -5.299 3.472 1.00 0.00 H +ATOM 205 HA SER A 13 7.994 -6.707 2.977 1.00 0.00 H +ATOM 206 HB2 SER A 13 5.144 -7.497 2.322 1.00 0.00 H +ATOM 207 HB3 SER A 13 6.513 -8.600 2.417 1.00 0.00 H +ATOM 208 HG SER A 13 6.506 -8.436 4.551 1.00 0.00 H +ATOM 209 N SER A 14 6.398 -5.751 0.257 1.00 0.00 N +ATOM 210 CA SER A 14 6.540 -5.569 -1.189 1.00 0.00 C +ATOM 211 C SER A 14 7.723 -4.673 -1.582 1.00 0.00 C +ATOM 212 O SER A 14 8.110 -4.660 -2.750 1.00 0.00 O +ATOM 213 CB SER A 14 5.248 -4.986 -1.771 1.00 0.00 C +ATOM 214 OG SER A 14 4.583 -5.979 -2.515 1.00 0.00 O +ATOM 215 H SER A 14 5.654 -5.262 0.743 1.00 0.00 H +ATOM 216 HA SER A 14 6.710 -6.543 -1.651 1.00 0.00 H +ATOM 217 HB2 SER A 14 4.614 -4.652 -0.972 1.00 0.00 H +ATOM 218 HB3 SER A 14 5.507 -4.180 -2.451 1.00 0.00 H +ATOM 219 HG SER A 14 3.809 -6.342 -2.003 1.00 0.00 H +ATOM 220 N GLY A 15 8.298 -3.917 -0.635 1.00 0.00 N +ATOM 221 CA GLY A 15 9.467 -3.068 -0.877 1.00 0.00 C +ATOM 222 C GLY A 15 9.130 -1.720 -1.522 1.00 0.00 C +ATOM 223 O GLY A 15 9.898 -1.231 -2.349 1.00 0.00 O +ATOM 224 H GLY A 15 7.970 -4.008 0.322 1.00 0.00 H +ATOM 225 HA2 GLY A 15 9.963 -2.879 0.074 1.00 0.00 H +ATOM 226 HA3 GLY A 15 10.166 -3.596 -1.527 1.00 0.00 H +ATOM 227 N ARG A 16 7.986 -1.120 -1.164 1.00 0.00 N +ATOM 228 CA ARG A 16 7.493 0.155 -1.712 1.00 0.00 C +ATOM 229 C ARG A 16 6.893 1.052 -0.617 1.00 0.00 C +ATOM 230 O ARG A 16 6.228 0.526 0.276 1.00 0.00 O +ATOM 231 CB ARG A 16 6.486 -0.108 -2.852 1.00 0.00 C +ATOM 232 CG ARG A 16 5.371 -1.121 -2.515 1.00 0.00 C +ATOM 233 CD ARG A 16 4.390 -1.352 -3.682 1.00 0.00 C +ATOM 234 NE ARG A 16 4.505 -2.695 -4.282 1.00 0.00 N +ATOM 235 CZ ARG A 16 5.417 -3.159 -5.117 1.00 0.00 C +ATOM 236 NH1 ARG A 16 6.381 -2.403 -5.595 1.00 0.00 N +ATOM 237 NH2 ARG A 16 5.336 -4.410 -5.482 1.00 0.00 N +ATOM 238 H ARG A 16 7.428 -1.572 -0.451 1.00 0.00 H +ATOM 239 HA ARG A 16 8.348 0.677 -2.139 1.00 0.00 H +ATOM 240 HB2 ARG A 16 6.022 0.825 -3.109 1.00 0.00 H +ATOM 241 HB3 ARG A 16 7.046 -0.475 -3.709 1.00 0.00 H +ATOM 242 HG2 ARG A 16 5.827 -2.059 -2.261 1.00 0.00 H +ATOM 243 HG3 ARG A 16 4.805 -0.751 -1.666 1.00 0.00 H +ATOM 244 HD2 ARG A 16 3.389 -1.227 -3.316 1.00 0.00 H +ATOM 245 HD3 ARG A 16 4.531 -0.590 -4.449 1.00 0.00 H +ATOM 246 HE ARG A 16 3.776 -3.394 -4.104 1.00 0.00 H +ATOM 247 HH11 ARG A 16 6.393 -1.440 -5.320 1.00 0.00 H +ATOM 248 HH12 ARG A 16 7.062 -2.775 -6.231 1.00 0.00 H +ATOM 249 HH21 ARG A 16 4.489 -4.903 -5.147 1.00 0.00 H +ATOM 250 HH22 ARG A 16 6.023 -4.858 -6.055 1.00 0.00 H +ATOM 251 N PRO A 17 7.075 2.387 -0.684 1.00 0.00 N +ATOM 252 CA PRO A 17 6.538 3.322 0.308 1.00 0.00 C +ATOM 253 C PRO A 17 5.011 3.481 0.186 1.00 0.00 C +ATOM 254 O PRO A 17 4.452 3.191 -0.874 1.00 0.00 O +ATOM 255 CB PRO A 17 7.258 4.647 0.031 1.00 0.00 C +ATOM 256 CG PRO A 17 7.545 4.595 -1.468 1.00 0.00 C +ATOM 257 CD PRO A 17 7.782 3.109 -1.733 1.00 0.00 C +ATOM 258 HA PRO A 17 6.789 2.972 1.310 1.00 0.00 H +ATOM 259 HB2 PRO A 17 6.629 5.482 0.272 1.00 0.00 H +ATOM 260 HB3 PRO A 17 8.199 4.671 0.582 1.00 0.00 H +ATOM 261 HG2 PRO A 17 6.707 4.957 -2.032 1.00 0.00 H +ATOM 262 HG3 PRO A 17 8.418 5.192 -1.732 1.00 0.00 H +ATOM 263 HD2 PRO A 17 7.395 2.837 -2.696 1.00 0.00 H +ATOM 264 HD3 PRO A 17 8.849 2.890 -1.670 1.00 0.00 H +ATOM 265 N PRO A 18 4.330 3.962 1.245 1.00 0.00 N +ATOM 266 CA PRO A 18 2.890 4.179 1.221 1.00 0.00 C +ATOM 267 C PRO A 18 2.501 5.385 0.341 1.00 0.00 C +ATOM 268 O PRO A 18 3.270 6.342 0.211 1.00 0.00 O +ATOM 269 CB PRO A 18 2.483 4.404 2.680 1.00 0.00 C +ATOM 270 CG PRO A 18 3.743 4.989 3.313 1.00 0.00 C +ATOM 271 CD PRO A 18 4.873 4.294 2.554 1.00 0.00 C +ATOM 272 HA PRO A 18 2.410 3.277 0.849 1.00 0.00 H +ATOM 273 HB2 PRO A 18 1.664 5.093 2.748 1.00 0.00 H +ATOM 274 HB3 PRO A 18 2.248 3.446 3.144 1.00 0.00 H +ATOM 275 HG2 PRO A 18 3.784 6.052 3.175 1.00 0.00 H +ATOM 276 HG3 PRO A 18 3.788 4.783 4.383 1.00 0.00 H +ATOM 277 HD2 PRO A 18 5.715 4.952 2.453 1.00 0.00 H +ATOM 278 HD3 PRO A 18 5.153 3.376 3.072 1.00 0.00 H +ATOM 279 N PRO A 19 1.280 5.377 -0.223 1.00 0.00 N +ATOM 280 CA PRO A 19 0.762 6.450 -1.060 1.00 0.00 C +ATOM 281 C PRO A 19 0.382 7.663 -0.198 1.00 0.00 C +ATOM 282 O PRO A 19 -0.624 7.631 0.512 1.00 0.00 O +ATOM 283 CB PRO A 19 -0.435 5.840 -1.790 1.00 0.00 C +ATOM 284 CG PRO A 19 -0.951 4.783 -0.812 1.00 0.00 C +ATOM 285 CD PRO A 19 0.299 4.311 -0.088 1.00 0.00 C +ATOM 286 HA PRO A 19 1.508 6.751 -1.796 1.00 0.00 H +ATOM 287 HB2 PRO A 19 -1.185 6.582 -1.983 1.00 0.00 H +ATOM 288 HB3 PRO A 19 -0.088 5.348 -2.699 1.00 0.00 H +ATOM 289 HG2 PRO A 19 -1.652 5.211 -0.122 1.00 0.00 H +ATOM 290 HG3 PRO A 19 -1.423 3.952 -1.333 1.00 0.00 H +ATOM 291 HD2 PRO A 19 0.083 4.134 0.948 1.00 0.00 H +ATOM 292 HD3 PRO A 19 0.683 3.414 -0.572 1.00 0.00 H +ATOM 293 N SER A 20 1.217 8.708 -0.251 1.00 0.00 N +ATOM 294 CA SER A 20 0.998 10.004 0.410 1.00 0.00 C +ATOM 295 C SER A 20 0.315 10.992 -0.534 1.00 0.00 C +ATOM 296 O SER A 20 0.887 11.215 -1.624 1.00 0.00 O +ATOM 297 CB SER A 20 2.322 10.595 0.894 1.00 0.00 C +ATOM 298 OG SER A 20 2.966 9.680 1.760 1.00 0.00 O +ATOM 299 OXT SER A 20 -0.750 11.510 -0.139 1.00 0.00 O +ATOM 300 H SER A 20 1.987 8.656 -0.900 1.00 0.00 H +ATOM 301 HA SER A 20 0.337 9.875 1.267 1.00 0.00 H +ATOM 302 HB2 SER A 20 2.954 10.792 0.050 1.00 0.00 H +ATOM 303 HB3 SER A 20 2.127 11.529 1.425 1.00 0.00 H +ATOM 304 HG SER A 20 3.007 8.832 1.306 1.00 0.00 H +TER 305 SER A 20 +ENDMDL +MODEL 22 +ATOM 1 N ASN A 1 -7.147 6.420 -0.321 1.00 0.00 N +ATOM 2 CA ASN A 1 -7.735 5.239 -1.002 1.00 0.00 C +ATOM 3 C ASN A 1 -6.654 4.233 -1.423 1.00 0.00 C +ATOM 4 O ASN A 1 -6.828 3.043 -1.189 1.00 0.00 O +ATOM 5 CB ASN A 1 -8.631 5.670 -2.180 1.00 0.00 C +ATOM 6 CG ASN A 1 -7.791 6.178 -3.342 1.00 0.00 C +ATOM 7 OD1 ASN A 1 -6.938 7.030 -3.134 1.00 0.00 O +ATOM 8 ND2 ASN A 1 -7.925 5.610 -4.527 1.00 0.00 N +ATOM 9 H1 ASN A 1 -6.444 6.132 0.344 1.00 0.00 H +ATOM 10 H2 ASN A 1 -6.730 7.032 -1.016 1.00 0.00 H +ATOM 11 H3 ASN A 1 -7.869 6.934 0.166 1.00 0.00 H +ATOM 12 HA ASN A 1 -8.365 4.712 -0.285 1.00 0.00 H +ATOM 13 HB2 ASN A 1 -9.211 4.828 -2.507 1.00 0.00 H +ATOM 14 HB3 ASN A 1 -9.301 6.470 -1.860 1.00 0.00 H +ATOM 15 HD21 ASN A 1 -8.593 4.875 -4.704 1.00 0.00 H +ATOM 16 HD22 ASN A 1 -7.334 5.964 -5.263 1.00 0.00 H +ATOM 17 N LEU A 2 -5.522 4.698 -1.980 1.00 0.00 N +ATOM 18 CA LEU A 2 -4.409 3.863 -2.457 1.00 0.00 C +ATOM 19 C LEU A 2 -3.793 2.972 -1.363 1.00 0.00 C +ATOM 20 O LEU A 2 -3.233 1.920 -1.669 1.00 0.00 O +ATOM 21 CB LEU A 2 -3.326 4.784 -3.046 1.00 0.00 C +ATOM 22 CG LEU A 2 -3.749 5.553 -4.315 1.00 0.00 C +ATOM 23 CD1 LEU A 2 -2.850 6.776 -4.507 1.00 0.00 C +ATOM 24 CD2 LEU A 2 -3.680 4.665 -5.559 1.00 0.00 C +ATOM 25 H LEU A 2 -5.460 5.679 -2.226 1.00 0.00 H +ATOM 26 HA LEU A 2 -4.775 3.199 -3.243 1.00 0.00 H +ATOM 27 HB2 LEU A 2 -3.054 5.502 -2.296 1.00 0.00 H +ATOM 28 HB3 LEU A 2 -2.440 4.192 -3.280 1.00 0.00 H +ATOM 29 HG LEU A 2 -4.770 5.913 -4.203 1.00 0.00 H +ATOM 30 HD11 LEU A 2 -2.889 7.409 -3.621 1.00 0.00 H +ATOM 31 HD12 LEU A 2 -1.821 6.467 -4.687 1.00 0.00 H +ATOM 32 HD13 LEU A 2 -3.206 7.360 -5.357 1.00 0.00 H +ATOM 33 HD21 LEU A 2 -2.700 4.193 -5.633 1.00 0.00 H +ATOM 34 HD22 LEU A 2 -4.449 3.893 -5.510 1.00 0.00 H +ATOM 35 HD23 LEU A 2 -3.847 5.268 -6.452 1.00 0.00 H +ATOM 36 N TYR A 3 -3.931 3.366 -0.089 1.00 0.00 N +ATOM 37 CA TYR A 3 -3.447 2.623 1.074 1.00 0.00 C +ATOM 38 C TYR A 3 -3.964 1.180 1.109 1.00 0.00 C +ATOM 39 O TYR A 3 -3.229 0.272 1.491 1.00 0.00 O +ATOM 40 CB TYR A 3 -3.837 3.358 2.368 1.00 0.00 C +ATOM 41 CG TYR A 3 -2.695 3.445 3.358 1.00 0.00 C +ATOM 42 CD1 TYR A 3 -2.319 2.321 4.114 1.00 0.00 C +ATOM 43 CD2 TYR A 3 -1.990 4.653 3.499 1.00 0.00 C +ATOM 44 CE1 TYR A 3 -1.242 2.408 5.016 1.00 0.00 C +ATOM 45 CE2 TYR A 3 -0.914 4.751 4.400 1.00 0.00 C +ATOM 46 CZ TYR A 3 -0.539 3.622 5.162 1.00 0.00 C +ATOM 47 OH TYR A 3 0.485 3.702 6.054 1.00 0.00 O +ATOM 48 H TYR A 3 -4.371 4.256 0.070 1.00 0.00 H +ATOM 49 HA TYR A 3 -2.359 2.584 1.015 1.00 0.00 H +ATOM 50 HB2 TYR A 3 -4.150 4.353 2.117 1.00 0.00 H +ATOM 51 HB3 TYR A 3 -4.678 2.850 2.844 1.00 0.00 H +ATOM 52 HD1 TYR A 3 -2.858 1.392 4.001 1.00 0.00 H +ATOM 53 HD2 TYR A 3 -2.289 5.504 2.906 1.00 0.00 H +ATOM 54 HE1 TYR A 3 -0.942 1.554 5.604 1.00 0.00 H +ATOM 55 HE2 TYR A 3 -0.364 5.678 4.516 1.00 0.00 H +ATOM 56 HH TYR A 3 0.190 4.071 6.890 1.00 0.00 H +ATOM 57 N ILE A 4 -5.213 0.963 0.670 1.00 0.00 N +ATOM 58 CA ILE A 4 -5.823 -0.366 0.587 1.00 0.00 C +ATOM 59 C ILE A 4 -5.035 -1.235 -0.401 1.00 0.00 C +ATOM 60 O ILE A 4 -4.639 -2.349 -0.066 1.00 0.00 O +ATOM 61 CB ILE A 4 -7.315 -0.267 0.189 1.00 0.00 C +ATOM 62 CG1 ILE A 4 -8.131 0.588 1.186 1.00 0.00 C +ATOM 63 CG2 ILE A 4 -7.906 -1.688 0.098 1.00 0.00 C +ATOM 64 CD1 ILE A 4 -9.426 1.134 0.567 1.00 0.00 C +ATOM 65 H ILE A 4 -5.742 1.753 0.322 1.00 0.00 H +ATOM 66 HA ILE A 4 -5.754 -0.841 1.568 1.00 0.00 H +ATOM 67 HB ILE A 4 -7.380 0.200 -0.796 1.00 0.00 H +ATOM 68 HG12 ILE A 4 -8.384 -0.019 2.034 1.00 0.00 H +ATOM 69 HG13 ILE A 4 -7.554 1.453 1.513 1.00 0.00 H +ATOM 70 HG21 ILE A 4 -7.613 -2.155 -0.842 1.00 0.00 H +ATOM 71 HG22 ILE A 4 -7.546 -2.302 0.925 1.00 0.00 H +ATOM 72 HG23 ILE A 4 -8.995 -1.665 0.139 1.00 0.00 H +ATOM 73 HD11 ILE A 4 -9.186 1.834 -0.233 1.00 0.00 H +ATOM 74 HD12 ILE A 4 -10.035 0.325 0.163 1.00 0.00 H +ATOM 75 HD13 ILE A 4 -10.000 1.657 1.332 1.00 0.00 H +ATOM 76 N GLN A 5 -4.770 -0.707 -1.602 1.00 0.00 N +ATOM 77 CA GLN A 5 -4.004 -1.401 -2.634 1.00 0.00 C +ATOM 78 C GLN A 5 -2.557 -1.659 -2.193 1.00 0.00 C +ATOM 79 O GLN A 5 -2.034 -2.749 -2.416 1.00 0.00 O +ATOM 80 CB GLN A 5 -4.064 -0.600 -3.951 1.00 0.00 C +ATOM 81 CG GLN A 5 -4.101 -1.517 -5.182 1.00 0.00 C +ATOM 82 CD GLN A 5 -5.437 -2.250 -5.294 1.00 0.00 C +ATOM 83 OE1 GLN A 5 -6.433 -1.708 -5.744 1.00 0.00 O +ATOM 84 NE2 GLN A 5 -5.519 -3.495 -4.863 1.00 0.00 N +ATOM 85 H GLN A 5 -5.062 0.244 -1.779 1.00 0.00 H +ATOM 86 HA GLN A 5 -4.475 -2.372 -2.776 1.00 0.00 H +ATOM 87 HB2 GLN A 5 -4.948 0.009 -3.946 1.00 0.00 H +ATOM 88 HB3 GLN A 5 -3.195 0.059 -4.019 1.00 0.00 H +ATOM 89 HG2 GLN A 5 -3.954 -0.923 -6.064 1.00 0.00 H +ATOM 90 HG3 GLN A 5 -3.280 -2.234 -5.138 1.00 0.00 H +ATOM 91 HE21 GLN A 5 -4.727 -3.993 -4.495 1.00 0.00 H +ATOM 92 HE22 GLN A 5 -6.432 -3.902 -4.971 1.00 0.00 H +ATOM 93 N TRP A 6 -1.937 -0.681 -1.518 1.00 0.00 N +ATOM 94 CA TRP A 6 -0.600 -0.811 -0.937 1.00 0.00 C +ATOM 95 C TRP A 6 -0.532 -1.917 0.130 1.00 0.00 C +ATOM 96 O TRP A 6 0.363 -2.764 0.091 1.00 0.00 O +ATOM 97 CB TRP A 6 -0.164 0.545 -0.369 1.00 0.00 C +ATOM 98 CG TRP A 6 1.216 0.547 0.205 1.00 0.00 C +ATOM 99 CD1 TRP A 6 2.366 0.594 -0.508 1.00 0.00 C +ATOM 100 CD2 TRP A 6 1.619 0.456 1.606 1.00 0.00 C +ATOM 101 NE1 TRP A 6 3.444 0.504 0.353 1.00 0.00 N +ATOM 102 CE2 TRP A 6 3.043 0.441 1.664 1.00 0.00 C +ATOM 103 CE3 TRP A 6 0.931 0.375 2.834 1.00 0.00 C +ATOM 104 CZ2 TRP A 6 3.753 0.369 2.869 1.00 0.00 C +ATOM 105 CZ3 TRP A 6 1.631 0.287 4.054 1.00 0.00 C +ATOM 106 CH2 TRP A 6 3.038 0.291 4.074 1.00 0.00 C +ATOM 107 H TRP A 6 -2.437 0.199 -1.406 1.00 0.00 H +ATOM 108 HA TRP A 6 0.095 -1.089 -1.730 1.00 0.00 H +ATOM 109 HB2 TRP A 6 -0.202 1.270 -1.159 1.00 0.00 H +ATOM 110 HB3 TRP A 6 -0.861 0.845 0.413 1.00 0.00 H +ATOM 111 HD1 TRP A 6 2.421 0.666 -1.584 1.00 0.00 H +ATOM 112 HE1 TRP A 6 4.427 0.496 0.079 1.00 0.00 H +ATOM 113 HE3 TRP A 6 -0.148 0.387 2.825 1.00 0.00 H +ATOM 114 HZ2 TRP A 6 4.834 0.356 2.853 1.00 0.00 H +ATOM 115 HZ3 TRP A 6 1.088 0.221 4.984 1.00 0.00 H +ATOM 116 HH2 TRP A 6 3.566 0.226 5.014 1.00 0.00 H +ATOM 117 N LEU A 7 -1.493 -1.950 1.062 1.00 0.00 N +ATOM 118 CA LEU A 7 -1.591 -3.020 2.054 1.00 0.00 C +ATOM 119 C LEU A 7 -1.887 -4.379 1.416 1.00 0.00 C +ATOM 120 O LEU A 7 -1.332 -5.379 1.867 1.00 0.00 O +ATOM 121 CB LEU A 7 -2.648 -2.680 3.119 1.00 0.00 C +ATOM 122 CG LEU A 7 -2.204 -1.596 4.116 1.00 0.00 C +ATOM 123 CD1 LEU A 7 -3.353 -1.276 5.075 1.00 0.00 C +ATOM 124 CD2 LEU A 7 -0.992 -2.019 4.955 1.00 0.00 C +ATOM 125 H LEU A 7 -2.199 -1.215 1.063 1.00 0.00 H +ATOM 126 HA LEU A 7 -0.619 -3.132 2.532 1.00 0.00 H +ATOM 127 HB2 LEU A 7 -3.533 -2.337 2.619 1.00 0.00 H +ATOM 128 HB3 LEU A 7 -2.884 -3.585 3.682 1.00 0.00 H +ATOM 129 HG LEU A 7 -1.950 -0.690 3.572 1.00 0.00 H +ATOM 130 HD11 LEU A 7 -4.247 -1.017 4.508 1.00 0.00 H +ATOM 131 HD12 LEU A 7 -3.565 -2.140 5.705 1.00 0.00 H +ATOM 132 HD13 LEU A 7 -3.079 -0.432 5.708 1.00 0.00 H +ATOM 133 HD21 LEU A 7 -1.200 -2.960 5.466 1.00 0.00 H +ATOM 134 HD22 LEU A 7 -0.115 -2.141 4.324 1.00 0.00 H +ATOM 135 HD23 LEU A 7 -0.770 -1.251 5.695 1.00 0.00 H +ATOM 136 N LYS A 8 -2.704 -4.425 0.351 1.00 0.00 N +ATOM 137 CA LYS A 8 -3.024 -5.667 -0.363 1.00 0.00 C +ATOM 138 C LYS A 8 -1.783 -6.379 -0.902 1.00 0.00 C +ATOM 139 O LYS A 8 -1.714 -7.603 -0.824 1.00 0.00 O +ATOM 140 CB LYS A 8 -4.029 -5.384 -1.498 1.00 0.00 C +ATOM 141 CG LYS A 8 -4.718 -6.666 -1.991 1.00 0.00 C +ATOM 142 CD LYS A 8 -5.727 -7.192 -0.954 1.00 0.00 C +ATOM 143 CE LYS A 8 -5.697 -8.722 -0.865 1.00 0.00 C +ATOM 144 NZ LYS A 8 -6.010 -9.184 0.509 1.00 0.00 N +ATOM 145 H LYS A 8 -3.166 -3.563 0.071 1.00 0.00 H +ATOM 146 HA LYS A 8 -3.461 -6.347 0.365 1.00 0.00 H +ATOM 147 HB2 LYS A 8 -4.778 -4.706 -1.137 1.00 0.00 H +ATOM 148 HB3 LYS A 8 -3.501 -4.924 -2.335 1.00 0.00 H +ATOM 149 HG2 LYS A 8 -5.236 -6.455 -2.907 1.00 0.00 H +ATOM 150 HG3 LYS A 8 -3.961 -7.422 -2.206 1.00 0.00 H +ATOM 151 HD2 LYS A 8 -5.484 -6.782 0.007 1.00 0.00 H +ATOM 152 HD3 LYS A 8 -6.729 -6.861 -1.233 1.00 0.00 H +ATOM 153 HE2 LYS A 8 -6.422 -9.127 -1.544 1.00 0.00 H +ATOM 154 HE3 LYS A 8 -4.703 -9.081 -1.147 1.00 0.00 H +ATOM 155 HZ1 LYS A 8 -5.172 -9.166 1.076 1.00 0.00 H +ATOM 156 HZ2 LYS A 8 -6.699 -8.578 0.933 1.00 0.00 H +ATOM 157 HZ3 LYS A 8 -6.369 -10.130 0.493 1.00 0.00 H +ATOM 158 N ASP A 9 -0.814 -5.616 -1.411 1.00 0.00 N +ATOM 159 CA ASP A 9 0.466 -6.130 -1.902 1.00 0.00 C +ATOM 160 C ASP A 9 1.395 -6.627 -0.772 1.00 0.00 C +ATOM 161 O ASP A 9 2.377 -7.317 -1.041 1.00 0.00 O +ATOM 162 CB ASP A 9 1.145 -5.018 -2.722 1.00 0.00 C +ATOM 163 CG ASP A 9 2.033 -5.572 -3.840 1.00 0.00 C +ATOM 164 OD1 ASP A 9 3.217 -5.858 -3.563 1.00 0.00 O +ATOM 165 OD2 ASP A 9 1.516 -5.670 -4.975 1.00 0.00 O +ATOM 166 H ASP A 9 -0.985 -4.619 -1.475 1.00 0.00 H +ATOM 167 HA ASP A 9 0.267 -6.973 -2.567 1.00 0.00 H +ATOM 168 HB2 ASP A 9 0.385 -4.401 -3.160 1.00 0.00 H +ATOM 169 HB3 ASP A 9 1.730 -4.377 -2.062 1.00 0.00 H +ATOM 170 N GLY A 10 1.124 -6.267 0.493 1.00 0.00 N +ATOM 171 CA GLY A 10 1.948 -6.626 1.656 1.00 0.00 C +ATOM 172 C GLY A 10 2.533 -5.439 2.437 1.00 0.00 C +ATOM 173 O GLY A 10 3.358 -5.653 3.329 1.00 0.00 O +ATOM 174 H GLY A 10 0.279 -5.730 0.656 1.00 0.00 H +ATOM 175 HA2 GLY A 10 1.331 -7.206 2.341 1.00 0.00 H +ATOM 176 HA3 GLY A 10 2.781 -7.257 1.345 1.00 0.00 H +ATOM 177 N GLY A 11 2.128 -4.200 2.126 1.00 0.00 N +ATOM 178 CA GLY A 11 2.561 -2.998 2.829 1.00 0.00 C +ATOM 179 C GLY A 11 4.092 -2.817 2.806 1.00 0.00 C +ATOM 180 O GLY A 11 4.667 -2.692 1.724 1.00 0.00 O +ATOM 181 H GLY A 11 1.538 -4.070 1.311 1.00 0.00 H +ATOM 182 HA2 GLY A 11 2.108 -2.134 2.348 1.00 0.00 H +ATOM 183 HA3 GLY A 11 2.187 -3.048 3.848 1.00 0.00 H +ATOM 184 N PRO A 12 4.785 -2.805 3.967 1.00 0.00 N +ATOM 185 CA PRO A 12 6.246 -2.706 4.011 1.00 0.00 C +ATOM 186 C PRO A 12 6.976 -3.836 3.263 1.00 0.00 C +ATOM 187 O PRO A 12 8.113 -3.645 2.838 1.00 0.00 O +ATOM 188 CB PRO A 12 6.631 -2.710 5.496 1.00 0.00 C +ATOM 189 CG PRO A 12 5.341 -2.359 6.233 1.00 0.00 C +ATOM 190 CD PRO A 12 4.243 -2.888 5.316 1.00 0.00 C +ATOM 191 HA PRO A 12 6.540 -1.751 3.570 1.00 0.00 H +ATOM 192 HB2 PRO A 12 6.984 -3.679 5.793 1.00 0.00 H +ATOM 193 HB3 PRO A 12 7.415 -1.982 5.705 1.00 0.00 H +ATOM 194 HG2 PRO A 12 5.305 -2.841 7.191 1.00 0.00 H +ATOM 195 HG3 PRO A 12 5.252 -1.274 6.318 1.00 0.00 H +ATOM 196 HD2 PRO A 12 4.007 -3.905 5.563 1.00 0.00 H +ATOM 197 HD3 PRO A 12 3.346 -2.281 5.435 1.00 0.00 H +ATOM 198 N SER A 13 6.332 -4.997 3.071 1.00 0.00 N +ATOM 199 CA SER A 13 6.911 -6.174 2.405 1.00 0.00 C +ATOM 200 C SER A 13 6.618 -6.217 0.896 1.00 0.00 C +ATOM 201 O SER A 13 6.579 -7.294 0.305 1.00 0.00 O +ATOM 202 CB SER A 13 6.458 -7.466 3.098 1.00 0.00 C +ATOM 203 OG SER A 13 6.899 -7.491 4.441 1.00 0.00 O +ATOM 204 H SER A 13 5.358 -5.057 3.358 1.00 0.00 H +ATOM 205 HA SER A 13 7.997 -6.129 2.500 1.00 0.00 H +ATOM 206 HB2 SER A 13 5.387 -7.520 3.078 1.00 0.00 H +ATOM 207 HB3 SER A 13 6.893 -8.322 2.581 1.00 0.00 H +ATOM 208 HG SER A 13 6.357 -6.887 4.951 1.00 0.00 H +ATOM 209 N SER A 14 6.432 -5.052 0.265 1.00 0.00 N +ATOM 210 CA SER A 14 6.076 -4.919 -1.157 1.00 0.00 C +ATOM 211 C SER A 14 7.132 -4.174 -1.984 1.00 0.00 C +ATOM 212 O SER A 14 6.929 -3.921 -3.169 1.00 0.00 O +ATOM 213 CB SER A 14 4.715 -4.232 -1.266 1.00 0.00 C +ATOM 214 OG SER A 14 3.775 -4.945 -0.496 1.00 0.00 O +ATOM 215 H SER A 14 6.365 -4.227 0.848 1.00 0.00 H +ATOM 216 HA SER A 14 5.970 -5.909 -1.604 1.00 0.00 H +ATOM 217 HB2 SER A 14 4.790 -3.226 -0.900 1.00 0.00 H +ATOM 218 HB3 SER A 14 4.396 -4.200 -2.306 1.00 0.00 H +ATOM 219 HG SER A 14 3.597 -5.804 -0.924 1.00 0.00 H +ATOM 220 N GLY A 15 8.259 -3.794 -1.363 1.00 0.00 N +ATOM 221 CA GLY A 15 9.337 -3.046 -2.017 1.00 0.00 C +ATOM 222 C GLY A 15 8.945 -1.615 -2.403 1.00 0.00 C +ATOM 223 O GLY A 15 9.471 -1.083 -3.379 1.00 0.00 O +ATOM 224 H GLY A 15 8.370 -4.078 -0.400 1.00 0.00 H +ATOM 225 HA2 GLY A 15 10.194 -2.991 -1.346 1.00 0.00 H +ATOM 226 HA3 GLY A 15 9.646 -3.574 -2.921 1.00 0.00 H +ATOM 227 N ARG A 16 8.005 -1.001 -1.666 1.00 0.00 N +ATOM 228 CA ARG A 16 7.468 0.335 -1.947 1.00 0.00 C +ATOM 229 C ARG A 16 6.939 1.037 -0.683 1.00 0.00 C +ATOM 230 O ARG A 16 6.297 0.382 0.141 1.00 0.00 O +ATOM 231 CB ARG A 16 6.363 0.241 -3.014 1.00 0.00 C +ATOM 232 CG ARG A 16 5.268 -0.802 -2.713 1.00 0.00 C +ATOM 233 CD ARG A 16 4.161 -0.846 -3.770 1.00 0.00 C +ATOM 234 NE ARG A 16 4.681 -1.237 -5.095 1.00 0.00 N +ATOM 235 CZ ARG A 16 5.016 -0.436 -6.099 1.00 0.00 C +ATOM 236 NH1 ARG A 16 4.910 0.871 -6.014 1.00 0.00 N +ATOM 237 NH2 ARG A 16 5.479 -0.936 -7.220 1.00 0.00 N +ATOM 238 H ARG A 16 7.638 -1.499 -0.867 1.00 0.00 H +ATOM 239 HA ARG A 16 8.282 0.927 -2.362 1.00 0.00 H +ATOM 240 HB2 ARG A 16 5.895 1.203 -3.097 1.00 0.00 H +ATOM 241 HB3 ARG A 16 6.844 -0.019 -3.959 1.00 0.00 H +ATOM 242 HG2 ARG A 16 5.727 -1.771 -2.660 1.00 0.00 H +ATOM 243 HG3 ARG A 16 4.810 -0.587 -1.750 1.00 0.00 H +ATOM 244 HD2 ARG A 16 3.418 -1.558 -3.465 1.00 0.00 H +ATOM 245 HD3 ARG A 16 3.662 0.123 -3.814 1.00 0.00 H +ATOM 246 HE ARG A 16 4.831 -2.228 -5.227 1.00 0.00 H +ATOM 247 HH11 ARG A 16 4.571 1.257 -5.151 1.00 0.00 H +ATOM 248 HH12 ARG A 16 5.171 1.470 -6.773 1.00 0.00 H +ATOM 249 HH21 ARG A 16 5.580 -1.932 -7.319 1.00 0.00 H +ATOM 250 HH22 ARG A 16 5.740 -0.329 -7.975 1.00 0.00 H +ATOM 251 N PRO A 17 7.146 2.361 -0.541 1.00 0.00 N +ATOM 252 CA PRO A 17 6.642 3.137 0.592 1.00 0.00 C +ATOM 253 C PRO A 17 5.117 3.361 0.511 1.00 0.00 C +ATOM 254 O PRO A 17 4.532 3.158 -0.557 1.00 0.00 O +ATOM 255 CB PRO A 17 7.416 4.460 0.520 1.00 0.00 C +ATOM 256 CG PRO A 17 7.671 4.652 -0.972 1.00 0.00 C +ATOM 257 CD PRO A 17 7.829 3.228 -1.493 1.00 0.00 C +ATOM 258 HA PRO A 17 6.878 2.623 1.524 1.00 0.00 H +ATOM 259 HB2 PRO A 17 6.830 5.268 0.915 1.00 0.00 H +ATOM 260 HB3 PRO A 17 8.368 4.346 1.042 1.00 0.00 H +ATOM 261 HG2 PRO A 17 6.841 5.143 -1.443 1.00 0.00 H +ATOM 262 HG3 PRO A 17 8.569 5.244 -1.152 1.00 0.00 H +ATOM 263 HD2 PRO A 17 7.382 3.137 -2.464 1.00 0.00 H +ATOM 264 HD3 PRO A 17 8.886 2.963 -1.532 1.00 0.00 H +ATOM 265 N PRO A 18 4.468 3.790 1.613 1.00 0.00 N +ATOM 266 CA PRO A 18 3.035 4.076 1.629 1.00 0.00 C +ATOM 267 C PRO A 18 2.678 5.275 0.730 1.00 0.00 C +ATOM 268 O PRO A 18 3.501 6.177 0.557 1.00 0.00 O +ATOM 269 CB PRO A 18 2.681 4.342 3.098 1.00 0.00 C +ATOM 270 CG PRO A 18 3.998 4.812 3.711 1.00 0.00 C +ATOM 271 CD PRO A 18 5.049 4.030 2.928 1.00 0.00 C +ATOM 272 HA PRO A 18 2.502 3.188 1.294 1.00 0.00 H +ATOM 273 HB2 PRO A 18 1.929 5.103 3.178 1.00 0.00 H +ATOM 274 HB3 PRO A 18 2.369 3.411 3.573 1.00 0.00 H +ATOM 275 HG2 PRO A 18 4.128 5.869 3.579 1.00 0.00 H +ATOM 276 HG3 PRO A 18 4.048 4.597 4.778 1.00 0.00 H +ATOM 277 HD2 PRO A 18 5.952 4.603 2.839 1.00 0.00 H +ATOM 278 HD3 PRO A 18 5.240 3.074 3.417 1.00 0.00 H +ATOM 279 N PRO A 19 1.456 5.312 0.158 1.00 0.00 N +ATOM 280 CA PRO A 19 1.020 6.389 -0.730 1.00 0.00 C +ATOM 281 C PRO A 19 0.573 7.658 0.014 1.00 0.00 C +ATOM 282 O PRO A 19 0.781 8.756 -0.501 1.00 0.00 O +ATOM 283 CB PRO A 19 -0.147 5.799 -1.525 1.00 0.00 C +ATOM 284 CG PRO A 19 -0.739 4.750 -0.582 1.00 0.00 C +ATOM 285 CD PRO A 19 0.461 4.252 0.217 1.00 0.00 C +ATOM 286 HA PRO A 19 1.824 6.660 -1.417 1.00 0.00 H +ATOM 287 HB2 PRO A 19 -0.871 6.555 -1.758 1.00 0.00 H +ATOM 288 HB3 PRO A 19 0.235 5.311 -2.422 1.00 0.00 H +ATOM 289 HG2 PRO A 19 -1.472 5.190 0.066 1.00 0.00 H +ATOM 290 HG3 PRO A 19 -1.196 3.933 -1.136 1.00 0.00 H +ATOM 291 HD2 PRO A 19 0.178 4.064 1.235 1.00 0.00 H +ATOM 292 HD3 PRO A 19 0.863 3.356 -0.255 1.00 0.00 H +ATOM 293 N SER A 20 -0.071 7.506 1.180 1.00 0.00 N +ATOM 294 CA SER A 20 -0.495 8.598 2.070 1.00 0.00 C +ATOM 295 C SER A 20 0.609 8.944 3.064 1.00 0.00 C +ATOM 296 O SER A 20 0.894 10.155 3.181 1.00 0.00 O +ATOM 297 CB SER A 20 -1.736 8.215 2.879 1.00 0.00 C +ATOM 298 OG SER A 20 -2.830 7.879 2.044 1.00 0.00 O +ATOM 299 OXT SER A 20 1.084 7.996 3.730 1.00 0.00 O +ATOM 300 H SER A 20 -0.157 6.569 1.538 1.00 0.00 H +ATOM 301 HA SER A 20 -0.699 9.493 1.486 1.00 0.00 H +ATOM 302 HB2 SER A 20 -1.500 7.370 3.497 1.00 0.00 H +ATOM 303 HB3 SER A 20 -2.011 9.052 3.523 1.00 0.00 H +ATOM 304 HG SER A 20 -3.169 8.700 1.678 1.00 0.00 H +TER 305 SER A 20 +ENDMDL +MODEL 23 +ATOM 1 N ASN A 1 -8.995 5.512 -1.807 1.00 0.00 N +ATOM 2 CA ASN A 1 -8.139 5.500 -0.596 1.00 0.00 C +ATOM 3 C ASN A 1 -6.657 5.213 -0.847 1.00 0.00 C +ATOM 4 O ASN A 1 -5.857 5.704 -0.062 1.00 0.00 O +ATOM 5 CB ASN A 1 -8.684 4.564 0.498 1.00 0.00 C +ATOM 6 CG ASN A 1 -9.123 5.373 1.709 1.00 0.00 C +ATOM 7 OD1 ASN A 1 -10.305 5.507 1.971 1.00 0.00 O +ATOM 8 ND2 ASN A 1 -8.201 5.977 2.436 1.00 0.00 N +ATOM 9 H1 ASN A 1 -8.610 6.132 -2.507 1.00 0.00 H +ATOM 10 H2 ASN A 1 -9.086 4.582 -2.189 1.00 0.00 H +ATOM 11 H3 ASN A 1 -9.920 5.841 -1.561 1.00 0.00 H +ATOM 12 HA ASN A 1 -8.157 6.511 -0.184 1.00 0.00 H +ATOM 13 HB2 ASN A 1 -9.524 4.019 0.112 1.00 0.00 H +ATOM 14 HB3 ASN A 1 -7.920 3.855 0.818 1.00 0.00 H +ATOM 15 HD21 ASN A 1 -7.210 5.924 2.252 1.00 0.00 H +ATOM 16 HD22 ASN A 1 -8.568 6.492 3.222 1.00 0.00 H +ATOM 17 N LEU A 2 -6.287 4.419 -1.870 1.00 0.00 N +ATOM 18 CA LEU A 2 -4.918 3.992 -2.233 1.00 0.00 C +ATOM 19 C LEU A 2 -4.198 3.117 -1.189 1.00 0.00 C +ATOM 20 O LEU A 2 -3.649 2.074 -1.544 1.00 0.00 O +ATOM 21 CB LEU A 2 -4.033 5.181 -2.661 1.00 0.00 C +ATOM 22 CG LEU A 2 -4.577 5.992 -3.859 1.00 0.00 C +ATOM 23 CD1 LEU A 2 -5.182 7.328 -3.410 1.00 0.00 C +ATOM 24 CD2 LEU A 2 -3.464 6.283 -4.867 1.00 0.00 C +ATOM 25 H LEU A 2 -6.993 4.011 -2.461 1.00 0.00 H +ATOM 26 HA LEU A 2 -5.014 3.355 -3.115 1.00 0.00 H +ATOM 27 HB2 LEU A 2 -3.937 5.845 -1.824 1.00 0.00 H +ATOM 28 HB3 LEU A 2 -3.061 4.766 -2.935 1.00 0.00 H +ATOM 29 HG LEU A 2 -5.348 5.414 -4.371 1.00 0.00 H +ATOM 30 HD11 LEU A 2 -6.031 7.162 -2.754 1.00 0.00 H +ATOM 31 HD12 LEU A 2 -4.432 7.916 -2.879 1.00 0.00 H +ATOM 32 HD13 LEU A 2 -5.517 7.893 -4.282 1.00 0.00 H +ATOM 33 HD21 LEU A 2 -2.669 6.860 -4.395 1.00 0.00 H +ATOM 34 HD22 LEU A 2 -3.056 5.346 -5.245 1.00 0.00 H +ATOM 35 HD23 LEU A 2 -3.867 6.848 -5.709 1.00 0.00 H +ATOM 36 N TYR A 3 -4.220 3.498 0.091 1.00 0.00 N +ATOM 37 CA TYR A 3 -3.550 2.790 1.185 1.00 0.00 C +ATOM 38 C TYR A 3 -3.980 1.315 1.283 1.00 0.00 C +ATOM 39 O TYR A 3 -3.150 0.440 1.515 1.00 0.00 O +ATOM 40 CB TYR A 3 -3.809 3.544 2.496 1.00 0.00 C +ATOM 41 CG TYR A 3 -2.752 3.301 3.554 1.00 0.00 C +ATOM 42 CD1 TYR A 3 -2.869 2.215 4.443 1.00 0.00 C +ATOM 43 CD2 TYR A 3 -1.653 4.178 3.655 1.00 0.00 C +ATOM 44 CE1 TYR A 3 -1.899 2.018 5.443 1.00 0.00 C +ATOM 45 CE2 TYR A 3 -0.683 3.985 4.655 1.00 0.00 C +ATOM 46 CZ TYR A 3 -0.812 2.911 5.561 1.00 0.00 C +ATOM 47 OH TYR A 3 0.085 2.742 6.568 1.00 0.00 O +ATOM 48 H TYR A 3 -4.660 4.395 0.286 1.00 0.00 H +ATOM 49 HA TYR A 3 -2.478 2.809 0.991 1.00 0.00 H +ATOM 50 HB2 TYR A 3 -3.840 4.595 2.283 1.00 0.00 H +ATOM 51 HB3 TYR A 3 -4.790 3.270 2.890 1.00 0.00 H +ATOM 52 HD1 TYR A 3 -3.710 1.538 4.369 1.00 0.00 H +ATOM 53 HD2 TYR A 3 -1.555 5.018 2.982 1.00 0.00 H +ATOM 54 HE1 TYR A 3 -1.977 1.210 6.151 1.00 0.00 H +ATOM 55 HE2 TYR A 3 0.149 4.672 4.736 1.00 0.00 H +ATOM 56 HH TYR A 3 0.563 3.552 6.750 1.00 0.00 H +ATOM 57 N ILE A 4 -5.264 1.030 1.024 1.00 0.00 N +ATOM 58 CA ILE A 4 -5.827 -0.326 0.952 1.00 0.00 C +ATOM 59 C ILE A 4 -5.114 -1.151 -0.131 1.00 0.00 C +ATOM 60 O ILE A 4 -4.658 -2.257 0.147 1.00 0.00 O +ATOM 61 CB ILE A 4 -7.356 -0.272 0.705 1.00 0.00 C +ATOM 62 CG1 ILE A 4 -8.110 0.581 1.757 1.00 0.00 C +ATOM 63 CG2 ILE A 4 -7.947 -1.695 0.687 1.00 0.00 C +ATOM 64 CD1 ILE A 4 -9.451 1.106 1.228 1.00 0.00 C +ATOM 65 H ILE A 4 -5.870 1.816 0.855 1.00 0.00 H +ATOM 66 HA ILE A 4 -5.652 -0.820 1.909 1.00 0.00 H +ATOM 67 HB ILE A 4 -7.515 0.178 -0.278 1.00 0.00 H +ATOM 68 HG12 ILE A 4 -8.294 -0.024 2.624 1.00 0.00 H +ATOM 69 HG13 ILE A 4 -7.523 1.453 2.040 1.00 0.00 H +ATOM 70 HG21 ILE A 4 -7.530 -2.276 -0.135 1.00 0.00 H +ATOM 71 HG22 ILE A 4 -7.726 -2.202 1.628 1.00 0.00 H +ATOM 72 HG23 ILE A 4 -9.028 -1.659 0.555 1.00 0.00 H +ATOM 73 HD11 ILE A 4 -9.295 1.636 0.288 1.00 0.00 H +ATOM 74 HD12 ILE A 4 -10.147 0.285 1.062 1.00 0.00 H +ATOM 75 HD13 ILE A 4 -9.883 1.794 1.955 1.00 0.00 H +ATOM 76 N GLN A 5 -4.980 -0.613 -1.354 1.00 0.00 N +ATOM 77 CA GLN A 5 -4.248 -1.254 -2.452 1.00 0.00 C +ATOM 78 C GLN A 5 -2.764 -1.451 -2.115 1.00 0.00 C +ATOM 79 O GLN A 5 -2.210 -2.510 -2.406 1.00 0.00 O +ATOM 80 CB GLN A 5 -4.397 -0.444 -3.752 1.00 0.00 C +ATOM 81 CG GLN A 5 -5.780 -0.585 -4.421 1.00 0.00 C +ATOM 82 CD GLN A 5 -5.677 -1.049 -5.874 1.00 0.00 C +ATOM 83 OE1 GLN A 5 -4.908 -0.532 -6.667 1.00 0.00 O +ATOM 84 NE2 GLN A 5 -6.453 -2.034 -6.287 1.00 0.00 N +ATOM 85 H GLN A 5 -5.284 0.340 -1.486 1.00 0.00 H +ATOM 86 HA GLN A 5 -4.665 -2.247 -2.623 1.00 0.00 H +ATOM 87 HB2 GLN A 5 -4.235 0.592 -3.525 1.00 0.00 H +ATOM 88 HB3 GLN A 5 -3.627 -0.786 -4.446 1.00 0.00 H +ATOM 89 HG2 GLN A 5 -6.358 -1.301 -3.870 1.00 0.00 H +ATOM 90 HG3 GLN A 5 -6.280 0.383 -4.410 1.00 0.00 H +ATOM 91 HE21 GLN A 5 -7.135 -2.486 -5.703 1.00 0.00 H +ATOM 92 HE22 GLN A 5 -6.309 -2.278 -7.253 1.00 0.00 H +ATOM 93 N TRP A 6 -2.122 -0.471 -1.467 1.00 0.00 N +ATOM 94 CA TRP A 6 -0.752 -0.626 -0.970 1.00 0.00 C +ATOM 95 C TRP A 6 -0.626 -1.773 0.051 1.00 0.00 C +ATOM 96 O TRP A 6 0.275 -2.606 -0.073 1.00 0.00 O +ATOM 97 CB TRP A 6 -0.246 0.708 -0.409 1.00 0.00 C +ATOM 98 CG TRP A 6 1.122 0.638 0.187 1.00 0.00 C +ATOM 99 CD1 TRP A 6 2.283 0.580 -0.505 1.00 0.00 C +ATOM 100 CD2 TRP A 6 1.498 0.590 1.599 1.00 0.00 C +ATOM 101 NE1 TRP A 6 3.337 0.446 0.374 1.00 0.00 N +ATOM 102 CE2 TRP A 6 2.919 0.485 1.681 1.00 0.00 C +ATOM 103 CE3 TRP A 6 0.791 0.638 2.820 1.00 0.00 C +ATOM 104 CZ2 TRP A 6 3.609 0.442 2.898 1.00 0.00 C +ATOM 105 CZ3 TRP A 6 1.472 0.592 4.050 1.00 0.00 C +ATOM 106 CH2 TRP A 6 2.875 0.504 4.093 1.00 0.00 C +ATOM 107 H TRP A 6 -2.627 0.394 -1.292 1.00 0.00 H +ATOM 108 HA TRP A 6 -0.116 -0.900 -1.810 1.00 0.00 H +ATOM 109 HB2 TRP A 6 -0.230 1.425 -1.207 1.00 0.00 H +ATOM 110 HB3 TRP A 6 -0.932 1.060 0.358 1.00 0.00 H +ATOM 111 HD1 TRP A 6 2.377 0.619 -1.579 1.00 0.00 H +ATOM 112 HE1 TRP A 6 4.319 0.364 0.099 1.00 0.00 H +ATOM 113 HE3 TRP A 6 -0.286 0.722 2.803 1.00 0.00 H +ATOM 114 HZ2 TRP A 6 4.686 0.366 2.903 1.00 0.00 H +ATOM 115 HZ3 TRP A 6 0.916 0.637 4.976 1.00 0.00 H +ATOM 116 HH2 TRP A 6 3.385 0.485 5.046 1.00 0.00 H +ATOM 117 N LEU A 7 -1.546 -1.866 1.019 1.00 0.00 N +ATOM 118 CA LEU A 7 -1.600 -2.993 1.954 1.00 0.00 C +ATOM 119 C LEU A 7 -1.891 -4.331 1.257 1.00 0.00 C +ATOM 120 O LEU A 7 -1.258 -5.322 1.617 1.00 0.00 O +ATOM 121 CB LEU A 7 -2.629 -2.736 3.069 1.00 0.00 C +ATOM 122 CG LEU A 7 -2.255 -1.624 4.066 1.00 0.00 C +ATOM 123 CD1 LEU A 7 -3.410 -1.464 5.059 1.00 0.00 C +ATOM 124 CD2 LEU A 7 -0.975 -1.930 4.852 1.00 0.00 C +ATOM 125 H LEU A 7 -2.238 -1.124 1.101 1.00 0.00 H +ATOM 126 HA LEU A 7 -0.616 -3.103 2.408 1.00 0.00 H +ATOM 127 HB2 LEU A 7 -3.559 -2.467 2.606 1.00 0.00 H +ATOM 128 HB3 LEU A 7 -2.758 -3.662 3.632 1.00 0.00 H +ATOM 129 HG LEU A 7 -2.117 -0.684 3.539 1.00 0.00 H +ATOM 130 HD11 LEU A 7 -4.330 -1.232 4.522 1.00 0.00 H +ATOM 131 HD12 LEU A 7 -3.546 -2.384 5.627 1.00 0.00 H +ATOM 132 HD13 LEU A 7 -3.198 -0.653 5.753 1.00 0.00 H +ATOM 133 HD21 LEU A 7 -1.059 -2.897 5.349 1.00 0.00 H +ATOM 134 HD22 LEU A 7 -0.117 -1.940 4.182 1.00 0.00 H +ATOM 135 HD23 LEU A 7 -0.809 -1.154 5.600 1.00 0.00 H +ATOM 136 N LYS A 8 -2.780 -4.375 0.246 1.00 0.00 N +ATOM 137 CA LYS A 8 -3.068 -5.596 -0.534 1.00 0.00 C +ATOM 138 C LYS A 8 -1.816 -6.219 -1.151 1.00 0.00 C +ATOM 139 O LYS A 8 -1.740 -7.439 -1.237 1.00 0.00 O +ATOM 140 CB LYS A 8 -4.081 -5.335 -1.662 1.00 0.00 C +ATOM 141 CG LYS A 8 -5.498 -4.986 -1.175 1.00 0.00 C +ATOM 142 CD LYS A 8 -6.576 -5.917 -1.747 1.00 0.00 C +ATOM 143 CE LYS A 8 -6.443 -7.334 -1.176 1.00 0.00 C +ATOM 144 NZ LYS A 8 -7.563 -8.199 -1.611 1.00 0.00 N +ATOM 145 H LYS A 8 -3.304 -3.525 0.051 1.00 0.00 H +ATOM 146 HA LYS A 8 -3.475 -6.350 0.141 1.00 0.00 H +ATOM 147 HB2 LYS A 8 -3.719 -4.518 -2.256 1.00 0.00 H +ATOM 148 HB3 LYS A 8 -4.124 -6.228 -2.289 1.00 0.00 H +ATOM 149 HG2 LYS A 8 -5.519 -5.056 -0.105 1.00 0.00 H +ATOM 150 HG3 LYS A 8 -5.730 -3.973 -1.499 1.00 0.00 H +ATOM 151 HD2 LYS A 8 -7.544 -5.528 -1.496 1.00 0.00 H +ATOM 152 HD3 LYS A 8 -6.493 -5.943 -2.836 1.00 0.00 H +ATOM 153 HE2 LYS A 8 -5.519 -7.762 -1.515 1.00 0.00 H +ATOM 154 HE3 LYS A 8 -6.423 -7.269 -0.084 1.00 0.00 H +ATOM 155 HZ1 LYS A 8 -8.442 -7.832 -1.266 1.00 0.00 H +ATOM 156 HZ2 LYS A 8 -7.603 -8.242 -2.621 1.00 0.00 H +ATOM 157 HZ3 LYS A 8 -7.442 -9.138 -1.253 1.00 0.00 H +ATOM 158 N ASP A 9 -0.849 -5.393 -1.556 1.00 0.00 N +ATOM 159 CA ASP A 9 0.436 -5.853 -2.083 1.00 0.00 C +ATOM 160 C ASP A 9 1.332 -6.506 -1.009 1.00 0.00 C +ATOM 161 O ASP A 9 2.223 -7.275 -1.345 1.00 0.00 O +ATOM 162 CB ASP A 9 1.145 -4.662 -2.744 1.00 0.00 C +ATOM 163 CG ASP A 9 2.097 -5.123 -3.846 1.00 0.00 C +ATOM 164 OD1 ASP A 9 3.259 -5.441 -3.507 1.00 0.00 O +ATOM 165 OD2 ASP A 9 1.661 -5.116 -5.015 1.00 0.00 O +ATOM 166 H ASP A 9 -1.027 -4.396 -1.508 1.00 0.00 H +ATOM 167 HA ASP A 9 0.243 -6.603 -2.852 1.00 0.00 H +ATOM 168 HB2 ASP A 9 0.408 -4.009 -3.170 1.00 0.00 H +ATOM 169 HB3 ASP A 9 1.699 -4.094 -1.991 1.00 0.00 H +ATOM 170 N GLY A 10 1.085 -6.233 0.280 1.00 0.00 N +ATOM 171 CA GLY A 10 1.935 -6.630 1.406 1.00 0.00 C +ATOM 172 C GLY A 10 2.538 -5.448 2.178 1.00 0.00 C +ATOM 173 O GLY A 10 3.381 -5.658 3.052 1.00 0.00 O +ATOM 174 H GLY A 10 0.224 -5.740 0.500 1.00 0.00 H +ATOM 175 HA2 GLY A 10 1.338 -7.217 2.103 1.00 0.00 H +ATOM 176 HA3 GLY A 10 2.755 -7.257 1.056 1.00 0.00 H +ATOM 177 N GLY A 11 2.139 -4.205 1.865 1.00 0.00 N +ATOM 178 CA GLY A 11 2.660 -3.003 2.510 1.00 0.00 C +ATOM 179 C GLY A 11 4.193 -2.919 2.402 1.00 0.00 C +ATOM 180 O GLY A 11 4.722 -3.051 1.294 1.00 0.00 O +ATOM 181 H GLY A 11 1.481 -4.078 1.104 1.00 0.00 H +ATOM 182 HA2 GLY A 11 2.230 -2.129 2.025 1.00 0.00 H +ATOM 183 HA3 GLY A 11 2.339 -3.009 3.550 1.00 0.00 H +ATOM 184 N PRO A 12 4.936 -2.732 3.516 1.00 0.00 N +ATOM 185 CA PRO A 12 6.401 -2.697 3.498 1.00 0.00 C +ATOM 186 C PRO A 12 7.057 -3.980 2.962 1.00 0.00 C +ATOM 187 O PRO A 12 8.194 -3.921 2.498 1.00 0.00 O +ATOM 188 CB PRO A 12 6.843 -2.444 4.945 1.00 0.00 C +ATOM 189 CG PRO A 12 5.600 -1.887 5.633 1.00 0.00 C +ATOM 190 CD PRO A 12 4.459 -2.571 4.884 1.00 0.00 C +ATOM 191 HA PRO A 12 6.718 -1.858 2.877 1.00 0.00 H +ATOM 192 HB2 PRO A 12 7.157 -3.358 5.411 1.00 0.00 H +ATOM 193 HB3 PRO A 12 7.673 -1.736 4.990 1.00 0.00 H +ATOM 194 HG2 PRO A 12 5.587 -2.145 6.675 1.00 0.00 H +ATOM 195 HG3 PRO A 12 5.548 -0.809 5.478 1.00 0.00 H +ATOM 196 HD2 PRO A 12 4.243 -3.527 5.321 1.00 0.00 H +ATOM 197 HD3 PRO A 12 3.561 -1.958 4.940 1.00 0.00 H +ATOM 198 N SER A 13 6.364 -5.132 2.996 1.00 0.00 N +ATOM 199 CA SER A 13 6.922 -6.427 2.577 1.00 0.00 C +ATOM 200 C SER A 13 7.348 -6.452 1.106 1.00 0.00 C +ATOM 201 O SER A 13 8.273 -7.185 0.760 1.00 0.00 O +ATOM 202 CB SER A 13 5.902 -7.544 2.812 1.00 0.00 C +ATOM 203 OG SER A 13 6.513 -8.805 2.628 1.00 0.00 O +ATOM 204 H SER A 13 5.404 -5.115 3.326 1.00 0.00 H +ATOM 205 HA SER A 13 7.802 -6.636 3.185 1.00 0.00 H +ATOM 206 HB2 SER A 13 5.525 -7.475 3.814 1.00 0.00 H +ATOM 207 HB3 SER A 13 5.073 -7.436 2.110 1.00 0.00 H +ATOM 208 HG SER A 13 6.978 -8.809 1.779 1.00 0.00 H +ATOM 209 N SER A 14 6.688 -5.663 0.253 1.00 0.00 N +ATOM 210 CA SER A 14 7.033 -5.491 -1.164 1.00 0.00 C +ATOM 211 C SER A 14 8.036 -4.355 -1.407 1.00 0.00 C +ATOM 212 O SER A 14 8.270 -3.979 -2.556 1.00 0.00 O +ATOM 213 CB SER A 14 5.763 -5.217 -1.973 1.00 0.00 C +ATOM 214 OG SER A 14 4.936 -6.345 -2.040 1.00 0.00 O +ATOM 215 H SER A 14 5.903 -5.135 0.612 1.00 0.00 H +ATOM 216 HA SER A 14 7.475 -6.413 -1.545 1.00 0.00 H +ATOM 217 HB2 SER A 14 5.221 -4.416 -1.508 1.00 0.00 H +ATOM 218 HB3 SER A 14 6.026 -4.948 -2.995 1.00 0.00 H +ATOM 219 HG SER A 14 4.164 -6.059 -2.655 1.00 0.00 H +ATOM 220 N GLY A 15 8.590 -3.733 -0.358 1.00 0.00 N +ATOM 221 CA GLY A 15 9.577 -2.650 -0.433 1.00 0.00 C +ATOM 222 C GLY A 15 9.029 -1.291 -0.893 1.00 0.00 C +ATOM 223 O GLY A 15 9.565 -0.255 -0.498 1.00 0.00 O +ATOM 224 H GLY A 15 8.346 -4.054 0.578 1.00 0.00 H +ATOM 225 HA2 GLY A 15 10.022 -2.519 0.554 1.00 0.00 H +ATOM 226 HA3 GLY A 15 10.370 -2.944 -1.121 1.00 0.00 H +ATOM 227 N ARG A 16 7.961 -1.275 -1.702 1.00 0.00 N +ATOM 228 CA ARG A 16 7.253 -0.068 -2.152 1.00 0.00 C +ATOM 229 C ARG A 16 6.758 0.782 -0.961 1.00 0.00 C +ATOM 230 O ARG A 16 6.062 0.249 -0.094 1.00 0.00 O +ATOM 231 CB ARG A 16 6.114 -0.429 -3.128 1.00 0.00 C +ATOM 232 CG ARG A 16 5.073 -1.437 -2.599 1.00 0.00 C +ATOM 233 CD ARG A 16 4.058 -1.882 -3.667 1.00 0.00 C +ATOM 234 NE ARG A 16 2.925 -0.944 -3.816 1.00 0.00 N +ATOM 235 CZ ARG A 16 2.827 0.118 -4.610 1.00 0.00 C +ATOM 236 NH1 ARG A 16 3.797 0.480 -5.418 1.00 0.00 N +ATOM 237 NH2 ARG A 16 1.736 0.848 -4.603 1.00 0.00 N +ATOM 238 H ARG A 16 7.673 -2.184 -2.046 1.00 0.00 H +ATOM 239 HA ARG A 16 7.981 0.515 -2.712 1.00 0.00 H +ATOM 240 HB2 ARG A 16 5.597 0.477 -3.381 1.00 0.00 H +ATOM 241 HB3 ARG A 16 6.567 -0.849 -4.028 1.00 0.00 H +ATOM 242 HG2 ARG A 16 5.592 -2.305 -2.239 1.00 0.00 H +ATOM 243 HG3 ARG A 16 4.537 -1.022 -1.749 1.00 0.00 H +ATOM 244 HD2 ARG A 16 4.565 -1.958 -4.610 1.00 0.00 H +ATOM 245 HD3 ARG A 16 3.649 -2.842 -3.350 1.00 0.00 H +ATOM 246 HE ARG A 16 2.106 -1.187 -3.286 1.00 0.00 H +ATOM 247 HH11 ARG A 16 4.617 -0.096 -5.446 1.00 0.00 H +ATOM 248 HH12 ARG A 16 3.713 1.284 -6.011 1.00 0.00 H +ATOM 249 HH21 ARG A 16 0.947 0.584 -4.042 1.00 0.00 H +ATOM 250 HH22 ARG A 16 1.678 1.660 -5.191 1.00 0.00 H +ATOM 251 N PRO A 17 7.067 2.094 -0.905 1.00 0.00 N +ATOM 252 CA PRO A 17 6.620 2.967 0.182 1.00 0.00 C +ATOM 253 C PRO A 17 5.099 3.227 0.122 1.00 0.00 C +ATOM 254 O PRO A 17 4.486 3.009 -0.928 1.00 0.00 O +ATOM 255 CB PRO A 17 7.427 4.260 0.005 1.00 0.00 C +ATOM 256 CG PRO A 17 7.667 4.322 -1.501 1.00 0.00 C +ATOM 257 CD PRO A 17 7.835 2.854 -1.882 1.00 0.00 C +ATOM 258 HA PRO A 17 6.870 2.512 1.140 1.00 0.00 H +ATOM 259 HB2 PRO A 17 6.867 5.112 0.340 1.00 0.00 H +ATOM 260 HB3 PRO A 17 8.385 4.162 0.519 1.00 0.00 H +ATOM 261 HG2 PRO A 17 6.828 4.758 -2.008 1.00 0.00 H +ATOM 262 HG3 PRO A 17 8.552 4.908 -1.749 1.00 0.00 H +ATOM 263 HD2 PRO A 17 7.456 2.680 -2.871 1.00 0.00 H +ATOM 264 HD3 PRO A 17 8.888 2.571 -1.812 1.00 0.00 H +ATOM 265 N PRO A 18 4.480 3.698 1.223 1.00 0.00 N +ATOM 266 CA PRO A 18 3.051 4.007 1.257 1.00 0.00 C +ATOM 267 C PRO A 18 2.699 5.236 0.396 1.00 0.00 C +ATOM 268 O PRO A 18 3.570 6.059 0.111 1.00 0.00 O +ATOM 269 CB PRO A 18 2.722 4.232 2.738 1.00 0.00 C +ATOM 270 CG PRO A 18 4.041 4.721 3.329 1.00 0.00 C +ATOM 271 CD PRO A 18 5.086 3.950 2.524 1.00 0.00 C +ATOM 272 HA PRO A 18 2.496 3.146 0.892 1.00 0.00 H +ATOM 273 HB2 PRO A 18 1.954 4.972 2.852 1.00 0.00 H +ATOM 274 HB3 PRO A 18 2.449 3.284 3.200 1.00 0.00 H +ATOM 275 HG2 PRO A 18 4.155 5.779 3.195 1.00 0.00 H +ATOM 276 HG3 PRO A 18 4.113 4.505 4.395 1.00 0.00 H +ATOM 277 HD2 PRO A 18 5.979 4.535 2.413 1.00 0.00 H +ATOM 278 HD3 PRO A 18 5.300 2.999 3.013 1.00 0.00 H +ATOM 279 N PRO A 19 1.420 5.393 -0.004 1.00 0.00 N +ATOM 280 CA PRO A 19 0.957 6.533 -0.802 1.00 0.00 C +ATOM 281 C PRO A 19 0.749 7.823 0.014 1.00 0.00 C +ATOM 282 O PRO A 19 0.677 8.899 -0.575 1.00 0.00 O +ATOM 283 CB PRO A 19 -0.367 6.064 -1.415 1.00 0.00 C +ATOM 284 CG PRO A 19 -0.913 5.086 -0.375 1.00 0.00 C +ATOM 285 CD PRO A 19 0.348 4.422 0.169 1.00 0.00 C +ATOM 286 HA PRO A 19 1.669 6.748 -1.599 1.00 0.00 H +ATOM 287 HB2 PRO A 19 -1.038 6.889 -1.556 1.00 0.00 H +ATOM 288 HB3 PRO A 19 -0.164 5.530 -2.346 1.00 0.00 H +ATOM 289 HG2 PRO A 19 -1.441 5.605 0.402 1.00 0.00 H +ATOM 290 HG3 PRO A 19 -1.584 4.357 -0.825 1.00 0.00 H +ATOM 291 HD2 PRO A 19 0.225 4.183 1.208 1.00 0.00 H +ATOM 292 HD3 PRO A 19 0.576 3.535 -0.421 1.00 0.00 H +ATOM 293 N SER A 20 0.622 7.704 1.342 1.00 0.00 N +ATOM 294 CA SER A 20 0.537 8.783 2.335 1.00 0.00 C +ATOM 295 C SER A 20 1.931 9.218 2.798 1.00 0.00 C +ATOM 296 O SER A 20 2.563 8.335 3.437 1.00 0.00 O +ATOM 297 CB SER A 20 -0.247 8.262 3.545 1.00 0.00 C +ATOM 298 OG SER A 20 0.531 7.207 4.069 1.00 0.00 O +ATOM 299 OXT SER A 20 2.277 10.398 2.599 1.00 0.00 O +ATOM 300 H SER A 20 0.701 6.779 1.733 1.00 0.00 H +ATOM 301 HA SER A 20 0.039 9.654 1.908 1.00 0.00 H +ATOM 302 HB2 SER A 20 -0.369 9.038 4.276 1.00 0.00 H +ATOM 303 HB3 SER A 20 -1.237 7.911 3.252 1.00 0.00 H +ATOM 304 HG SER A 20 1.480 7.561 3.895 1.00 0.00 H +TER 305 SER A 20 +ENDMDL +MODEL 24 +ATOM 1 N ASN A 1 -6.292 7.385 1.128 1.00 0.00 N +ATOM 2 CA ASN A 1 -7.232 6.863 0.107 1.00 0.00 C +ATOM 3 C ASN A 1 -6.739 5.538 -0.485 1.00 0.00 C +ATOM 4 O ASN A 1 -7.431 4.543 -0.336 1.00 0.00 O +ATOM 5 CB ASN A 1 -7.545 7.923 -0.975 1.00 0.00 C +ATOM 6 CG ASN A 1 -6.313 8.297 -1.796 1.00 0.00 C +ATOM 7 OD1 ASN A 1 -5.208 8.306 -1.270 1.00 0.00 O +ATOM 8 ND2 ASN A 1 -6.440 8.526 -3.087 1.00 0.00 N +ATOM 9 H1 ASN A 1 -6.040 6.659 1.782 1.00 0.00 H +ATOM 10 H2 ASN A 1 -5.460 7.735 0.662 1.00 0.00 H +ATOM 11 H3 ASN A 1 -6.719 8.150 1.634 1.00 0.00 H +ATOM 12 HA ASN A 1 -8.173 6.624 0.607 1.00 0.00 H +ATOM 13 HB2 ASN A 1 -8.294 7.530 -1.636 1.00 0.00 H +ATOM 14 HB3 ASN A 1 -7.929 8.825 -0.499 1.00 0.00 H +ATOM 15 HD21 ASN A 1 -7.324 8.491 -3.570 1.00 0.00 H +ATOM 16 HD22 ASN A 1 -5.584 8.752 -3.571 1.00 0.00 H +ATOM 17 N LEU A 2 -5.556 5.496 -1.115 1.00 0.00 N +ATOM 18 CA LEU A 2 -5.032 4.330 -1.843 1.00 0.00 C +ATOM 19 C LEU A 2 -4.313 3.290 -0.955 1.00 0.00 C +ATOM 20 O LEU A 2 -3.853 2.259 -1.446 1.00 0.00 O +ATOM 21 CB LEU A 2 -4.138 4.841 -3.003 1.00 0.00 C +ATOM 22 CG LEU A 2 -4.722 4.651 -4.418 1.00 0.00 C +ATOM 23 CD1 LEU A 2 -4.894 3.173 -4.766 1.00 0.00 C +ATOM 24 CD2 LEU A 2 -6.050 5.386 -4.636 1.00 0.00 C +ATOM 25 H LEU A 2 -5.044 6.368 -1.237 1.00 0.00 H +ATOM 26 HA LEU A 2 -5.880 3.796 -2.268 1.00 0.00 H +ATOM 27 HB2 LEU A 2 -3.967 5.890 -2.853 1.00 0.00 H +ATOM 28 HB3 LEU A 2 -3.179 4.327 -2.975 1.00 0.00 H +ATOM 29 HG LEU A 2 -4.002 5.061 -5.126 1.00 0.00 H +ATOM 30 HD11 LEU A 2 -3.966 2.642 -4.555 1.00 0.00 H +ATOM 31 HD12 LEU A 2 -5.713 2.736 -4.196 1.00 0.00 H +ATOM 32 HD13 LEU A 2 -5.117 3.069 -5.827 1.00 0.00 H +ATOM 33 HD21 LEU A 2 -6.733 5.221 -3.804 1.00 0.00 H +ATOM 34 HD22 LEU A 2 -5.855 6.450 -4.745 1.00 0.00 H +ATOM 35 HD23 LEU A 2 -6.526 5.028 -5.550 1.00 0.00 H +ATOM 36 N TYR A 3 -4.243 3.530 0.360 1.00 0.00 N +ATOM 37 CA TYR A 3 -3.536 2.698 1.337 1.00 0.00 C +ATOM 38 C TYR A 3 -3.999 1.230 1.340 1.00 0.00 C +ATOM 39 O TYR A 3 -3.180 0.335 1.524 1.00 0.00 O +ATOM 40 CB TYR A 3 -3.688 3.329 2.730 1.00 0.00 C +ATOM 41 CG TYR A 3 -2.527 3.057 3.667 1.00 0.00 C +ATOM 42 CD1 TYR A 3 -2.504 1.888 4.455 1.00 0.00 C +ATOM 43 CD2 TYR A 3 -1.478 3.993 3.769 1.00 0.00 C +ATOM 44 CE1 TYR A 3 -1.449 1.665 5.360 1.00 0.00 C +ATOM 45 CE2 TYR A 3 -0.422 3.773 4.671 1.00 0.00 C +ATOM 46 CZ TYR A 3 -0.410 2.617 5.478 1.00 0.00 C +ATOM 47 OH TYR A 3 0.592 2.435 6.380 1.00 0.00 O +ATOM 48 H TYR A 3 -4.647 4.393 0.678 1.00 0.00 H +ATOM 49 HA TYR A 3 -2.476 2.708 1.078 1.00 0.00 H +ATOM 50 HB2 TYR A 3 -3.781 4.391 2.610 1.00 0.00 H +ATOM 51 HB3 TYR A 3 -4.613 2.981 3.190 1.00 0.00 H +ATOM 52 HD1 TYR A 3 -3.302 1.165 4.368 1.00 0.00 H +ATOM 53 HD2 TYR A 3 -1.485 4.893 3.169 1.00 0.00 H +ATOM 54 HE1 TYR A 3 -1.435 0.773 5.967 1.00 0.00 H +ATOM 55 HE2 TYR A 3 0.377 4.493 4.774 1.00 0.00 H +ATOM 56 HH TYR A 3 0.371 1.780 7.044 1.00 0.00 H +ATOM 57 N ILE A 4 -5.291 0.971 1.083 1.00 0.00 N +ATOM 58 CA ILE A 4 -5.855 -0.385 0.970 1.00 0.00 C +ATOM 59 C ILE A 4 -5.185 -1.167 -0.172 1.00 0.00 C +ATOM 60 O ILE A 4 -4.825 -2.331 0.000 1.00 0.00 O +ATOM 61 CB ILE A 4 -7.390 -0.331 0.775 1.00 0.00 C +ATOM 62 CG1 ILE A 4 -8.107 0.494 1.877 1.00 0.00 C +ATOM 63 CG2 ILE A 4 -7.991 -1.748 0.746 1.00 0.00 C +ATOM 64 CD1 ILE A 4 -8.694 1.795 1.319 1.00 0.00 C +ATOM 65 H ILE A 4 -5.903 1.762 0.942 1.00 0.00 H +ATOM 66 HA ILE A 4 -5.647 -0.919 1.898 1.00 0.00 H +ATOM 67 HB ILE A 4 -7.594 0.123 -0.197 1.00 0.00 H +ATOM 68 HG12 ILE A 4 -8.901 -0.096 2.292 1.00 0.00 H +ATOM 69 HG13 ILE A 4 -7.417 0.733 2.687 1.00 0.00 H +ATOM 70 HG21 ILE A 4 -7.583 -2.322 -0.085 1.00 0.00 H +ATOM 71 HG22 ILE A 4 -7.771 -2.267 1.681 1.00 0.00 H +ATOM 72 HG23 ILE A 4 -9.072 -1.688 0.616 1.00 0.00 H +ATOM 73 HD11 ILE A 4 -7.897 2.395 0.886 1.00 0.00 H +ATOM 74 HD12 ILE A 4 -9.436 1.569 0.553 1.00 0.00 H +ATOM 75 HD13 ILE A 4 -9.171 2.357 2.121 1.00 0.00 H +ATOM 76 N GLN A 5 -4.990 -0.524 -1.331 1.00 0.00 N +ATOM 77 CA GLN A 5 -4.287 -1.099 -2.478 1.00 0.00 C +ATOM 78 C GLN A 5 -2.828 -1.408 -2.125 1.00 0.00 C +ATOM 79 O GLN A 5 -2.375 -2.526 -2.353 1.00 0.00 O +ATOM 80 CB GLN A 5 -4.383 -0.141 -3.683 1.00 0.00 C +ATOM 81 CG GLN A 5 -5.134 -0.729 -4.885 1.00 0.00 C +ATOM 82 CD GLN A 5 -6.640 -0.793 -4.645 1.00 0.00 C +ATOM 83 OE1 GLN A 5 -7.380 0.135 -4.919 1.00 0.00 O +ATOM 84 NE2 GLN A 5 -7.150 -1.887 -4.116 1.00 0.00 N +ATOM 85 H GLN A 5 -5.215 0.461 -1.367 1.00 0.00 H +ATOM 86 HA GLN A 5 -4.756 -2.048 -2.731 1.00 0.00 H +ATOM 87 HB2 GLN A 5 -4.893 0.749 -3.368 1.00 0.00 H +ATOM 88 HB3 GLN A 5 -3.380 0.134 -4.013 1.00 0.00 H +ATOM 89 HG2 GLN A 5 -4.946 -0.115 -5.745 1.00 0.00 H +ATOM 90 HG3 GLN A 5 -4.744 -1.721 -5.116 1.00 0.00 H +ATOM 91 HE21 GLN A 5 -6.566 -2.656 -3.852 1.00 0.00 H +ATOM 92 HE22 GLN A 5 -8.148 -1.839 -3.996 1.00 0.00 H +ATOM 93 N TRP A 6 -2.121 -0.454 -1.511 1.00 0.00 N +ATOM 94 CA TRP A 6 -0.744 -0.663 -1.057 1.00 0.00 C +ATOM 95 C TRP A 6 -0.613 -1.790 -0.020 1.00 0.00 C +ATOM 96 O TRP A 6 0.331 -2.579 -0.067 1.00 0.00 O +ATOM 97 CB TRP A 6 -0.201 0.655 -0.509 1.00 0.00 C +ATOM 98 CG TRP A 6 1.191 0.564 0.027 1.00 0.00 C +ATOM 99 CD1 TRP A 6 2.317 0.549 -0.722 1.00 0.00 C +ATOM 100 CD2 TRP A 6 1.627 0.427 1.415 1.00 0.00 C +ATOM 101 NE1 TRP A 6 3.412 0.401 0.105 1.00 0.00 N +ATOM 102 CE2 TRP A 6 3.049 0.343 1.428 1.00 0.00 C +ATOM 103 CE3 TRP A 6 0.972 0.368 2.666 1.00 0.00 C +ATOM 104 CZ2 TRP A 6 3.794 0.234 2.609 1.00 0.00 C +ATOM 105 CZ3 TRP A 6 1.709 0.249 3.860 1.00 0.00 C +ATOM 106 CH2 TRP A 6 3.114 0.197 3.837 1.00 0.00 C +ATOM 107 H TRP A 6 -2.569 0.443 -1.359 1.00 0.00 H +ATOM 108 HA TRP A 6 -0.136 -0.952 -1.917 1.00 0.00 H +ATOM 109 HB2 TRP A 6 -0.211 1.379 -1.301 1.00 0.00 H +ATOM 110 HB3 TRP A 6 -0.855 1.013 0.287 1.00 0.00 H +ATOM 111 HD1 TRP A 6 2.345 0.630 -1.800 1.00 0.00 H +ATOM 112 HE1 TRP A 6 4.387 0.366 -0.203 1.00 0.00 H +ATOM 113 HE3 TRP A 6 -0.106 0.426 2.698 1.00 0.00 H +ATOM 114 HZ2 TRP A 6 4.873 0.181 2.560 1.00 0.00 H +ATOM 115 HZ3 TRP A 6 1.192 0.211 4.808 1.00 0.00 H +ATOM 116 HH2 TRP A 6 3.670 0.129 4.761 1.00 0.00 H +ATOM 117 N LEU A 7 -1.578 -1.920 0.901 1.00 0.00 N +ATOM 118 CA LEU A 7 -1.631 -3.070 1.801 1.00 0.00 C +ATOM 119 C LEU A 7 -1.843 -4.394 1.050 1.00 0.00 C +ATOM 120 O LEU A 7 -1.191 -5.372 1.418 1.00 0.00 O +ATOM 121 CB LEU A 7 -2.686 -2.859 2.899 1.00 0.00 C +ATOM 122 CG LEU A 7 -2.268 -1.863 4.000 1.00 0.00 C +ATOM 123 CD1 LEU A 7 -3.426 -1.718 4.994 1.00 0.00 C +ATOM 124 CD2 LEU A 7 -1.023 -2.315 4.775 1.00 0.00 C +ATOM 125 H LEU A 7 -2.292 -1.197 0.964 1.00 0.00 H +ATOM 126 HA LEU A 7 -0.656 -3.165 2.275 1.00 0.00 H +ATOM 127 HB2 LEU A 7 -3.583 -2.492 2.437 1.00 0.00 H +ATOM 128 HB3 LEU A 7 -2.886 -3.821 3.373 1.00 0.00 H +ATOM 129 HG LEU A 7 -2.065 -0.889 3.560 1.00 0.00 H +ATOM 130 HD11 LEU A 7 -4.316 -1.368 4.472 1.00 0.00 H +ATOM 131 HD12 LEU A 7 -3.638 -2.679 5.461 1.00 0.00 H +ATOM 132 HD13 LEU A 7 -3.167 -0.998 5.769 1.00 0.00 H +ATOM 133 HD21 LEU A 7 -1.138 -3.351 5.097 1.00 0.00 H +ATOM 134 HD22 LEU A 7 -0.138 -2.227 4.147 1.00 0.00 H +ATOM 135 HD23 LEU A 7 -0.876 -1.684 5.651 1.00 0.00 H +ATOM 136 N LYS A 8 -2.657 -4.444 -0.024 1.00 0.00 N +ATOM 137 CA LYS A 8 -2.775 -5.659 -0.860 1.00 0.00 C +ATOM 138 C LYS A 8 -1.440 -6.118 -1.450 1.00 0.00 C +ATOM 139 O LYS A 8 -1.240 -7.322 -1.591 1.00 0.00 O +ATOM 140 CB LYS A 8 -3.774 -5.527 -2.021 1.00 0.00 C +ATOM 141 CG LYS A 8 -5.249 -5.395 -1.620 1.00 0.00 C +ATOM 142 CD LYS A 8 -6.167 -6.088 -2.648 1.00 0.00 C +ATOM 143 CE LYS A 8 -7.424 -5.268 -2.953 1.00 0.00 C +ATOM 144 NZ LYS A 8 -8.590 -6.134 -3.235 1.00 0.00 N +ATOM 145 H LYS A 8 -3.174 -3.604 -0.275 1.00 0.00 H +ATOM 146 HA LYS A 8 -3.108 -6.475 -0.218 1.00 0.00 H +ATOM 147 HB2 LYS A 8 -3.507 -4.656 -2.587 1.00 0.00 H +ATOM 148 HB3 LYS A 8 -3.662 -6.434 -2.619 1.00 0.00 H +ATOM 149 HG2 LYS A 8 -5.393 -5.849 -0.659 1.00 0.00 H +ATOM 150 HG3 LYS A 8 -5.497 -4.337 -1.541 1.00 0.00 H +ATOM 151 HD2 LYS A 8 -5.619 -6.230 -3.559 1.00 0.00 H +ATOM 152 HD3 LYS A 8 -6.435 -7.067 -2.249 1.00 0.00 H +ATOM 153 HE2 LYS A 8 -7.648 -4.648 -2.106 1.00 0.00 H +ATOM 154 HE3 LYS A 8 -7.213 -4.642 -3.824 1.00 0.00 H +ATOM 155 HZ1 LYS A 8 -8.371 -6.792 -3.971 1.00 0.00 H +ATOM 156 HZ2 LYS A 8 -8.842 -6.653 -2.403 1.00 0.00 H +ATOM 157 HZ3 LYS A 8 -9.385 -5.577 -3.521 1.00 0.00 H +ATOM 158 N ASP A 9 -0.520 -5.196 -1.760 1.00 0.00 N +ATOM 159 CA ASP A 9 0.824 -5.550 -2.228 1.00 0.00 C +ATOM 160 C ASP A 9 1.682 -6.246 -1.149 1.00 0.00 C +ATOM 161 O ASP A 9 2.738 -6.791 -1.479 1.00 0.00 O +ATOM 162 CB ASP A 9 1.569 -4.302 -2.729 1.00 0.00 C +ATOM 163 CG ASP A 9 0.926 -3.620 -3.934 1.00 0.00 C +ATOM 164 OD1 ASP A 9 0.770 -4.314 -4.963 1.00 0.00 O +ATOM 165 OD2 ASP A 9 0.694 -2.393 -3.841 1.00 0.00 O +ATOM 166 H ASP A 9 -0.774 -4.217 -1.668 1.00 0.00 H +ATOM 167 HA ASP A 9 0.732 -6.246 -3.065 1.00 0.00 H +ATOM 168 HB2 ASP A 9 1.611 -3.592 -1.925 1.00 0.00 H +ATOM 169 HB3 ASP A 9 2.563 -4.606 -3.037 1.00 0.00 H +ATOM 170 N GLY A 10 1.266 -6.215 0.128 1.00 0.00 N +ATOM 171 CA GLY A 10 2.015 -6.734 1.274 1.00 0.00 C +ATOM 172 C GLY A 10 2.595 -5.646 2.186 1.00 0.00 C +ATOM 173 O GLY A 10 3.441 -5.959 3.033 1.00 0.00 O +ATOM 174 H GLY A 10 0.348 -5.819 0.317 1.00 0.00 H +ATOM 175 HA2 GLY A 10 1.343 -7.348 1.874 1.00 0.00 H +ATOM 176 HA3 GLY A 10 2.832 -7.371 0.933 1.00 0.00 H +ATOM 177 N GLY A 11 2.188 -4.378 2.015 1.00 0.00 N +ATOM 178 CA GLY A 11 2.682 -3.258 2.815 1.00 0.00 C +ATOM 179 C GLY A 11 4.216 -3.151 2.773 1.00 0.00 C +ATOM 180 O GLY A 11 4.797 -3.293 1.691 1.00 0.00 O +ATOM 181 H GLY A 11 1.532 -4.174 1.270 1.00 0.00 H +ATOM 182 HA2 GLY A 11 2.262 -2.332 2.425 1.00 0.00 H +ATOM 183 HA3 GLY A 11 2.330 -3.391 3.837 1.00 0.00 H +ATOM 184 N PRO A 12 4.904 -2.935 3.918 1.00 0.00 N +ATOM 185 CA PRO A 12 6.365 -2.823 3.965 1.00 0.00 C +ATOM 186 C PRO A 12 7.102 -4.015 3.335 1.00 0.00 C +ATOM 187 O PRO A 12 8.165 -3.833 2.746 1.00 0.00 O +ATOM 188 CB PRO A 12 6.736 -2.681 5.447 1.00 0.00 C +ATOM 189 CG PRO A 12 5.452 -2.189 6.112 1.00 0.00 C +ATOM 190 CD PRO A 12 4.353 -2.826 5.263 1.00 0.00 C +ATOM 191 HA PRO A 12 6.658 -1.915 3.438 1.00 0.00 H +ATOM 192 HB2 PRO A 12 7.038 -3.626 5.856 1.00 0.00 H +ATOM 193 HB3 PRO A 12 7.554 -1.973 5.589 1.00 0.00 H +ATOM 194 HG2 PRO A 12 5.394 -2.523 7.130 1.00 0.00 H +ATOM 195 HG3 PRO A 12 5.394 -1.103 6.036 1.00 0.00 H +ATOM 196 HD2 PRO A 12 4.102 -3.797 5.644 1.00 0.00 H +ATOM 197 HD3 PRO A 12 3.456 -2.209 5.293 1.00 0.00 H +ATOM 198 N SER A 13 6.528 -5.228 3.414 1.00 0.00 N +ATOM 199 CA SER A 13 7.138 -6.446 2.859 1.00 0.00 C +ATOM 200 C SER A 13 7.295 -6.407 1.333 1.00 0.00 C +ATOM 201 O SER A 13 8.174 -7.073 0.792 1.00 0.00 O +ATOM 202 CB SER A 13 6.348 -7.692 3.277 1.00 0.00 C +ATOM 203 OG SER A 13 5.118 -7.809 2.592 1.00 0.00 O +ATOM 204 H SER A 13 5.614 -5.292 3.842 1.00 0.00 H +ATOM 205 HA SER A 13 8.138 -6.537 3.280 1.00 0.00 H +ATOM 206 HB2 SER A 13 6.942 -8.561 3.069 1.00 0.00 H +ATOM 207 HB3 SER A 13 6.165 -7.667 4.352 1.00 0.00 H +ATOM 208 HG SER A 13 4.500 -7.079 2.847 1.00 0.00 H +ATOM 209 N SER A 14 6.489 -5.586 0.645 1.00 0.00 N +ATOM 210 CA SER A 14 6.548 -5.376 -0.801 1.00 0.00 C +ATOM 211 C SER A 14 7.615 -4.354 -1.227 1.00 0.00 C +ATOM 212 O SER A 14 7.779 -4.098 -2.420 1.00 0.00 O +ATOM 213 CB SER A 14 5.172 -4.906 -1.282 1.00 0.00 C +ATOM 214 OG SER A 14 4.768 -5.648 -2.411 1.00 0.00 O +ATOM 215 H SER A 14 5.813 -5.042 1.173 1.00 0.00 H +ATOM 216 HA SER A 14 6.781 -6.328 -1.284 1.00 0.00 H +ATOM 217 HB2 SER A 14 4.456 -5.042 -0.494 1.00 0.00 H +ATOM 218 HB3 SER A 14 5.202 -3.849 -1.527 1.00 0.00 H +ATOM 219 HG SER A 14 4.004 -6.211 -2.103 1.00 0.00 H +ATOM 220 N GLY A 15 8.309 -3.713 -0.277 1.00 0.00 N +ATOM 221 CA GLY A 15 9.390 -2.752 -0.512 1.00 0.00 C +ATOM 222 C GLY A 15 8.950 -1.376 -1.041 1.00 0.00 C +ATOM 223 O GLY A 15 9.569 -0.373 -0.689 1.00 0.00 O +ATOM 224 H GLY A 15 8.111 -3.947 0.692 1.00 0.00 H +ATOM 225 HA2 GLY A 15 9.920 -2.595 0.428 1.00 0.00 H +ATOM 226 HA3 GLY A 15 10.093 -3.179 -1.226 1.00 0.00 H +ATOM 227 N ARG A 16 7.896 -1.304 -1.867 1.00 0.00 N +ATOM 228 CA ARG A 16 7.317 -0.041 -2.355 1.00 0.00 C +ATOM 229 C ARG A 16 6.801 0.839 -1.194 1.00 0.00 C +ATOM 230 O ARG A 16 6.157 0.315 -0.283 1.00 0.00 O +ATOM 231 CB ARG A 16 6.215 -0.292 -3.405 1.00 0.00 C +ATOM 232 CG ARG A 16 5.119 -1.280 -2.965 1.00 0.00 C +ATOM 233 CD ARG A 16 3.913 -1.309 -3.915 1.00 0.00 C +ATOM 234 NE ARG A 16 4.266 -1.765 -5.273 1.00 0.00 N +ATOM 235 CZ ARG A 16 4.470 -3.012 -5.684 1.00 0.00 C +ATOM 236 NH1 ARG A 16 4.434 -4.046 -4.877 1.00 0.00 N +ATOM 237 NH2 ARG A 16 4.742 -3.246 -6.946 1.00 0.00 N +ATOM 238 H ARG A 16 7.511 -2.196 -2.163 1.00 0.00 H +ATOM 239 HA ARG A 16 8.125 0.496 -2.848 1.00 0.00 H +ATOM 240 HB2 ARG A 16 5.747 0.647 -3.630 1.00 0.00 H +ATOM 241 HB3 ARG A 16 6.683 -0.678 -4.311 1.00 0.00 H +ATOM 242 HG2 ARG A 16 5.544 -2.264 -2.923 1.00 0.00 H +ATOM 243 HG3 ARG A 16 4.753 -1.013 -1.976 1.00 0.00 H +ATOM 244 HD2 ARG A 16 3.174 -1.974 -3.511 1.00 0.00 H +ATOM 245 HD3 ARG A 16 3.485 -0.307 -3.974 1.00 0.00 H +ATOM 246 HE ARG A 16 4.286 -1.055 -5.983 1.00 0.00 H +ATOM 247 HH11 ARG A 16 4.241 -3.927 -3.896 1.00 0.00 H +ATOM 248 HH12 ARG A 16 4.571 -4.985 -5.203 1.00 0.00 H +ATOM 249 HH21 ARG A 16 4.784 -2.494 -7.608 1.00 0.00 H +ATOM 250 HH22 ARG A 16 4.878 -4.192 -7.246 1.00 0.00 H +ATOM 251 N PRO A 17 7.021 2.169 -1.222 1.00 0.00 N +ATOM 252 CA PRO A 17 6.564 3.076 -0.168 1.00 0.00 C +ATOM 253 C PRO A 17 5.035 3.273 -0.193 1.00 0.00 C +ATOM 254 O PRO A 17 4.408 3.044 -1.232 1.00 0.00 O +ATOM 255 CB PRO A 17 7.304 4.392 -0.436 1.00 0.00 C +ATOM 256 CG PRO A 17 7.488 4.390 -1.951 1.00 0.00 C +ATOM 257 CD PRO A 17 7.717 2.912 -2.265 1.00 0.00 C +ATOM 258 HA PRO A 17 6.863 2.681 0.803 1.00 0.00 H +ATOM 259 HB2 PRO A 17 6.718 5.234 -0.121 1.00 0.00 H +ATOM 260 HB3 PRO A 17 8.279 4.364 0.050 1.00 0.00 H +ATOM 261 HG2 PRO A 17 6.611 4.759 -2.447 1.00 0.00 H +ATOM 262 HG3 PRO A 17 8.336 5.002 -2.259 1.00 0.00 H +ATOM 263 HD2 PRO A 17 7.314 2.668 -3.229 1.00 0.00 H +ATOM 264 HD3 PRO A 17 8.783 2.685 -2.219 1.00 0.00 H +ATOM 265 N PRO A 18 4.420 3.714 0.924 1.00 0.00 N +ATOM 266 CA PRO A 18 2.979 3.943 0.997 1.00 0.00 C +ATOM 267 C PRO A 18 2.541 5.167 0.167 1.00 0.00 C +ATOM 268 O PRO A 18 3.300 6.129 0.038 1.00 0.00 O +ATOM 269 CB PRO A 18 2.670 4.129 2.486 1.00 0.00 C +ATOM 270 CG PRO A 18 3.976 4.683 3.053 1.00 0.00 C +ATOM 271 CD PRO A 18 5.042 3.977 2.213 1.00 0.00 C +ATOM 272 HA PRO A 18 2.469 3.052 0.638 1.00 0.00 H +ATOM 273 HB2 PRO A 18 1.865 4.824 2.627 1.00 0.00 H +ATOM 274 HB3 PRO A 18 2.459 3.159 2.939 1.00 0.00 H +ATOM 275 HG2 PRO A 18 4.030 5.747 2.929 1.00 0.00 H +ATOM 276 HG3 PRO A 18 4.085 4.459 4.114 1.00 0.00 H +ATOM 277 HD2 PRO A 18 5.901 4.608 2.092 1.00 0.00 H +ATOM 278 HD3 PRO A 18 5.310 3.030 2.683 1.00 0.00 H +ATOM 279 N PRO A 19 1.305 5.165 -0.369 1.00 0.00 N +ATOM 280 CA PRO A 19 0.753 6.266 -1.151 1.00 0.00 C +ATOM 281 C PRO A 19 0.318 7.409 -0.226 1.00 0.00 C +ATOM 282 O PRO A 19 -0.451 7.189 0.714 1.00 0.00 O +ATOM 283 CB PRO A 19 -0.432 5.656 -1.908 1.00 0.00 C +ATOM 284 CG PRO A 19 -0.932 4.559 -0.967 1.00 0.00 C +ATOM 285 CD PRO A 19 0.347 4.074 -0.285 1.00 0.00 C +ATOM 286 HA PRO A 19 1.493 6.630 -1.865 1.00 0.00 H +ATOM 287 HB2 PRO A 19 -1.195 6.390 -2.081 1.00 0.00 H +ATOM 288 HB3 PRO A 19 -0.073 5.200 -2.833 1.00 0.00 H +ATOM 289 HG2 PRO A 19 -1.625 4.954 -0.249 1.00 0.00 H +ATOM 290 HG3 PRO A 19 -1.416 3.748 -1.510 1.00 0.00 H +ATOM 291 HD2 PRO A 19 0.150 3.833 0.742 1.00 0.00 H +ATOM 292 HD3 PRO A 19 0.754 3.228 -0.832 1.00 0.00 H +ATOM 293 N SER A 20 0.793 8.629 -0.503 1.00 0.00 N +ATOM 294 CA SER A 20 0.416 9.847 0.221 1.00 0.00 C +ATOM 295 C SER A 20 0.407 11.090 -0.662 1.00 0.00 C +ATOM 296 O SER A 20 0.891 11.013 -1.811 1.00 0.00 O +ATOM 297 CB SER A 20 1.359 10.094 1.397 1.00 0.00 C +ATOM 298 OG SER A 20 0.787 11.196 2.067 1.00 0.00 O +ATOM 299 OXT SER A 20 -0.035 12.112 -0.078 1.00 0.00 O +ATOM 300 H SER A 20 1.371 8.782 -1.320 1.00 0.00 H +ATOM 301 HA SER A 20 -0.594 9.730 0.608 1.00 0.00 H +ATOM 302 HB2 SER A 20 1.400 9.236 2.040 1.00 0.00 H +ATOM 303 HB3 SER A 20 2.353 10.357 1.025 1.00 0.00 H +ATOM 304 HG SER A 20 0.387 11.733 1.311 1.00 0.00 H +TER 305 SER A 20 +ENDMDL +MODEL 25 +ATOM 1 N ASN A 1 -8.822 3.713 -1.688 1.00 0.00 N +ATOM 2 CA ASN A 1 -7.636 4.584 -1.839 1.00 0.00 C +ATOM 3 C ASN A 1 -6.387 3.720 -2.050 1.00 0.00 C +ATOM 4 O ASN A 1 -6.449 2.520 -1.793 1.00 0.00 O +ATOM 5 CB ASN A 1 -7.493 5.546 -0.643 1.00 0.00 C +ATOM 6 CG ASN A 1 -6.684 6.775 -1.045 1.00 0.00 C +ATOM 7 OD1 ASN A 1 -5.471 6.716 -1.147 1.00 0.00 O +ATOM 8 ND2 ASN A 1 -7.325 7.882 -1.371 1.00 0.00 N +ATOM 9 H1 ASN A 1 -8.903 3.106 -2.494 1.00 0.00 H +ATOM 10 H2 ASN A 1 -8.709 3.131 -0.870 1.00 0.00 H +ATOM 11 H3 ASN A 1 -9.662 4.268 -1.598 1.00 0.00 H +ATOM 12 HA ASN A 1 -7.770 5.186 -2.739 1.00 0.00 H +ATOM 13 HB2 ASN A 1 -8.468 5.855 -0.319 1.00 0.00 H +ATOM 14 HB3 ASN A 1 -6.990 5.041 0.185 1.00 0.00 H +ATOM 15 HD21 ASN A 1 -8.323 8.004 -1.308 1.00 0.00 H +ATOM 16 HD22 ASN A 1 -6.719 8.647 -1.627 1.00 0.00 H +ATOM 17 N LEU A 2 -5.276 4.311 -2.504 1.00 0.00 N +ATOM 18 CA LEU A 2 -4.020 3.626 -2.831 1.00 0.00 C +ATOM 19 C LEU A 2 -3.471 2.838 -1.629 1.00 0.00 C +ATOM 20 O LEU A 2 -2.958 1.734 -1.800 1.00 0.00 O +ATOM 21 CB LEU A 2 -3.012 4.674 -3.361 1.00 0.00 C +ATOM 22 CG LEU A 2 -2.196 4.219 -4.592 1.00 0.00 C +ATOM 23 CD1 LEU A 2 -1.533 5.435 -5.247 1.00 0.00 C +ATOM 24 CD2 LEU A 2 -1.091 3.204 -4.289 1.00 0.00 C +ATOM 25 H LEU A 2 -5.249 5.328 -2.518 1.00 0.00 H +ATOM 26 HA LEU A 2 -4.228 2.905 -3.623 1.00 0.00 H +ATOM 27 HB2 LEU A 2 -3.558 5.557 -3.630 1.00 0.00 H +ATOM 28 HB3 LEU A 2 -2.343 4.981 -2.561 1.00 0.00 H +ATOM 29 HG LEU A 2 -2.881 3.777 -5.315 1.00 0.00 H +ATOM 30 HD11 LEU A 2 -2.296 6.145 -5.570 1.00 0.00 H +ATOM 31 HD12 LEU A 2 -0.864 5.929 -4.541 1.00 0.00 H +ATOM 32 HD13 LEU A 2 -0.962 5.119 -6.121 1.00 0.00 H +ATOM 33 HD21 LEU A 2 -0.285 3.677 -3.730 1.00 0.00 H +ATOM 34 HD22 LEU A 2 -1.483 2.363 -3.723 1.00 0.00 H +ATOM 35 HD23 LEU A 2 -0.681 2.826 -5.224 1.00 0.00 H +ATOM 36 N TYR A 3 -3.666 3.358 -0.409 1.00 0.00 N +ATOM 37 CA TYR A 3 -3.284 2.708 0.847 1.00 0.00 C +ATOM 38 C TYR A 3 -3.873 1.292 1.002 1.00 0.00 C +ATOM 39 O TYR A 3 -3.194 0.398 1.503 1.00 0.00 O +ATOM 40 CB TYR A 3 -3.690 3.607 2.030 1.00 0.00 C +ATOM 41 CG TYR A 3 -2.649 3.669 3.132 1.00 0.00 C +ATOM 42 CD1 TYR A 3 -2.390 2.535 3.927 1.00 0.00 C +ATOM 43 CD2 TYR A 3 -1.934 4.863 3.357 1.00 0.00 C +ATOM 44 CE1 TYR A 3 -1.425 2.597 4.950 1.00 0.00 C +ATOM 45 CE2 TYR A 3 -0.980 4.936 4.389 1.00 0.00 C +ATOM 46 CZ TYR A 3 -0.731 3.802 5.194 1.00 0.00 C +ATOM 47 OH TYR A 3 0.150 3.872 6.227 1.00 0.00 O +ATOM 48 H TYR A 3 -4.047 4.292 -0.362 1.00 0.00 H +ATOM 49 HA TYR A 3 -2.198 2.613 0.856 1.00 0.00 H +ATOM 50 HB2 TYR A 3 -3.852 4.601 1.660 1.00 0.00 H +ATOM 51 HB3 TYR A 3 -4.632 3.256 2.454 1.00 0.00 H +ATOM 52 HD1 TYR A 3 -2.935 1.619 3.761 1.00 0.00 H +ATOM 53 HD2 TYR A 3 -2.110 5.742 2.747 1.00 0.00 H +ATOM 54 HE1 TYR A 3 -1.221 1.739 5.572 1.00 0.00 H +ATOM 55 HE2 TYR A 3 -0.449 5.867 4.548 1.00 0.00 H +ATOM 56 HH TYR A 3 0.326 4.786 6.461 1.00 0.00 H +ATOM 57 N ILE A 4 -5.115 1.071 0.535 1.00 0.00 N +ATOM 58 CA ILE A 4 -5.776 -0.242 0.562 1.00 0.00 C +ATOM 59 C ILE A 4 -5.002 -1.217 -0.330 1.00 0.00 C +ATOM 60 O ILE A 4 -4.614 -2.289 0.122 1.00 0.00 O +ATOM 61 CB ILE A 4 -7.263 -0.143 0.130 1.00 0.00 C +ATOM 62 CG1 ILE A 4 -8.048 0.841 1.030 1.00 0.00 C +ATOM 63 CG2 ILE A 4 -7.919 -1.539 0.153 1.00 0.00 C +ATOM 64 CD1 ILE A 4 -9.483 1.110 0.557 1.00 0.00 C +ATOM 65 H ILE A 4 -5.572 1.829 0.046 1.00 0.00 H +ATOM 66 HA ILE A 4 -5.741 -0.629 1.581 1.00 0.00 H +ATOM 67 HB ILE A 4 -7.305 0.225 -0.896 1.00 0.00 H +ATOM 68 HG12 ILE A 4 -8.090 0.432 2.021 1.00 0.00 H +ATOM 69 HG13 ILE A 4 -7.535 1.802 1.049 1.00 0.00 H +ATOM 70 HG21 ILE A 4 -7.419 -2.213 -0.543 1.00 0.00 H +ATOM 71 HG22 ILE A 4 -7.865 -1.964 1.157 1.00 0.00 H +ATOM 72 HG23 ILE A 4 -8.963 -1.481 -0.153 1.00 0.00 H +ATOM 73 HD11 ILE A 4 -9.492 1.320 -0.512 1.00 0.00 H +ATOM 74 HD12 ILE A 4 -10.118 0.247 0.759 1.00 0.00 H +ATOM 75 HD13 ILE A 4 -9.887 1.968 1.096 1.00 0.00 H +ATOM 76 N GLN A 5 -4.757 -0.824 -1.585 1.00 0.00 N +ATOM 77 CA GLN A 5 -4.017 -1.607 -2.576 1.00 0.00 C +ATOM 78 C GLN A 5 -2.587 -1.900 -2.083 1.00 0.00 C +ATOM 79 O GLN A 5 -2.148 -3.047 -2.102 1.00 0.00 O +ATOM 80 CB GLN A 5 -4.057 -0.847 -3.919 1.00 0.00 C +ATOM 81 CG GLN A 5 -4.071 -1.760 -5.155 1.00 0.00 C +ATOM 82 CD GLN A 5 -2.773 -2.524 -5.382 1.00 0.00 C +ATOM 83 OE1 GLN A 5 -2.723 -3.734 -5.250 1.00 0.00 O +ATOM 84 NE2 GLN A 5 -1.697 -1.854 -5.752 1.00 0.00 N +ATOM 85 H GLN A 5 -5.059 0.104 -1.844 1.00 0.00 H +ATOM 86 HA GLN A 5 -4.528 -2.564 -2.697 1.00 0.00 H +ATOM 87 HB2 GLN A 5 -4.942 -0.241 -3.937 1.00 0.00 H +ATOM 88 HB3 GLN A 5 -3.227 -0.144 -3.981 1.00 0.00 H +ATOM 89 HG2 GLN A 5 -4.865 -2.472 -5.038 1.00 0.00 H +ATOM 90 HG3 GLN A 5 -4.268 -1.149 -6.038 1.00 0.00 H +ATOM 91 HE21 GLN A 5 -1.694 -0.862 -5.911 1.00 0.00 H +ATOM 92 HE22 GLN A 5 -0.889 -2.443 -5.884 1.00 0.00 H +ATOM 93 N TRP A 6 -1.898 -0.878 -1.557 1.00 0.00 N +ATOM 94 CA TRP A 6 -0.578 -0.992 -0.936 1.00 0.00 C +ATOM 95 C TRP A 6 -0.552 -2.023 0.205 1.00 0.00 C +ATOM 96 O TRP A 6 0.292 -2.918 0.198 1.00 0.00 O +ATOM 97 CB TRP A 6 -0.127 0.397 -0.466 1.00 0.00 C +ATOM 98 CG TRP A 6 1.249 0.448 0.122 1.00 0.00 C +ATOM 99 CD1 TRP A 6 2.402 0.437 -0.587 1.00 0.00 C +ATOM 100 CD2 TRP A 6 1.644 0.501 1.528 1.00 0.00 C +ATOM 101 NE1 TRP A 6 3.474 0.460 0.282 1.00 0.00 N +ATOM 102 CE2 TRP A 6 3.068 0.490 1.594 1.00 0.00 C +ATOM 103 CE3 TRP A 6 0.952 0.549 2.757 1.00 0.00 C +ATOM 104 CZ2 TRP A 6 3.775 0.513 2.805 1.00 0.00 C +ATOM 105 CZ3 TRP A 6 1.647 0.567 3.982 1.00 0.00 C +ATOM 106 CH2 TRP A 6 3.054 0.548 4.010 1.00 0.00 C +ATOM 107 H TRP A 6 -2.335 0.042 -1.580 1.00 0.00 H +ATOM 108 HA TRP A 6 0.127 -1.341 -1.691 1.00 0.00 H +ATOM 109 HB2 TRP A 6 -0.154 1.059 -1.310 1.00 0.00 H +ATOM 110 HB3 TRP A 6 -0.830 0.770 0.277 1.00 0.00 H +ATOM 111 HD1 TRP A 6 2.467 0.400 -1.665 1.00 0.00 H +ATOM 112 HE1 TRP A 6 4.459 0.466 0.011 1.00 0.00 H +ATOM 113 HE3 TRP A 6 -0.127 0.579 2.747 1.00 0.00 H +ATOM 114 HZ2 TRP A 6 4.854 0.502 2.796 1.00 0.00 H +ATOM 115 HZ3 TRP A 6 1.097 0.607 4.913 1.00 0.00 H +ATOM 116 HH2 TRP A 6 3.578 0.569 4.955 1.00 0.00 H +ATOM 117 N LEU A 7 -1.488 -1.942 1.163 1.00 0.00 N +ATOM 118 CA LEU A 7 -1.617 -2.951 2.219 1.00 0.00 C +ATOM 119 C LEU A 7 -1.966 -4.341 1.668 1.00 0.00 C +ATOM 120 O LEU A 7 -1.376 -5.320 2.123 1.00 0.00 O +ATOM 121 CB LEU A 7 -2.642 -2.514 3.280 1.00 0.00 C +ATOM 122 CG LEU A 7 -2.149 -1.401 4.223 1.00 0.00 C +ATOM 123 CD1 LEU A 7 -3.284 -0.995 5.164 1.00 0.00 C +ATOM 124 CD2 LEU A 7 -0.953 -1.839 5.080 1.00 0.00 C +ATOM 125 H LEU A 7 -2.154 -1.170 1.141 1.00 0.00 H +ATOM 126 HA LEU A 7 -0.644 -3.065 2.695 1.00 0.00 H +ATOM 127 HB2 LEU A 7 -3.519 -2.160 2.773 1.00 0.00 H +ATOM 128 HB3 LEU A 7 -2.902 -3.381 3.888 1.00 0.00 H +ATOM 129 HG LEU A 7 -1.860 -0.531 3.640 1.00 0.00 H +ATOM 130 HD11 LEU A 7 -4.142 -0.659 4.582 1.00 0.00 H +ATOM 131 HD12 LEU A 7 -3.579 -1.842 5.783 1.00 0.00 H +ATOM 132 HD13 LEU A 7 -2.959 -0.178 5.809 1.00 0.00 H +ATOM 133 HD21 LEU A 7 -1.180 -2.772 5.594 1.00 0.00 H +ATOM 134 HD22 LEU A 7 -0.070 -1.975 4.456 1.00 0.00 H +ATOM 135 HD23 LEU A 7 -0.724 -1.071 5.819 1.00 0.00 H +ATOM 136 N LYS A 8 -2.866 -4.444 0.675 1.00 0.00 N +ATOM 137 CA LYS A 8 -3.232 -5.709 0.014 1.00 0.00 C +ATOM 138 C LYS A 8 -1.995 -6.419 -0.554 1.00 0.00 C +ATOM 139 O LYS A 8 -1.851 -7.626 -0.374 1.00 0.00 O +ATOM 140 CB LYS A 8 -4.313 -5.443 -1.057 1.00 0.00 C +ATOM 141 CG LYS A 8 -5.232 -6.637 -1.368 1.00 0.00 C +ATOM 142 CD LYS A 8 -4.597 -7.726 -2.241 1.00 0.00 C +ATOM 143 CE LYS A 8 -5.626 -8.816 -2.553 1.00 0.00 C +ATOM 144 NZ LYS A 8 -4.979 -9.985 -3.192 1.00 0.00 N +ATOM 145 H LYS A 8 -3.334 -3.588 0.376 1.00 0.00 H +ATOM 146 HA LYS A 8 -3.648 -6.368 0.776 1.00 0.00 H +ATOM 147 HB2 LYS A 8 -4.926 -4.632 -0.716 1.00 0.00 H +ATOM 148 HB3 LYS A 8 -3.853 -5.080 -1.976 1.00 0.00 H +ATOM 149 HG2 LYS A 8 -5.526 -7.084 -0.438 1.00 0.00 H +ATOM 150 HG3 LYS A 8 -6.106 -6.251 -1.896 1.00 0.00 H +ATOM 151 HD2 LYS A 8 -4.253 -7.289 -3.159 1.00 0.00 H +ATOM 152 HD3 LYS A 8 -3.770 -8.185 -1.708 1.00 0.00 H +ATOM 153 HE2 LYS A 8 -6.094 -9.129 -1.640 1.00 0.00 H +ATOM 154 HE3 LYS A 8 -6.396 -8.398 -3.207 1.00 0.00 H +ATOM 155 HZ1 LYS A 8 -4.519 -9.702 -4.048 1.00 0.00 H +ATOM 156 HZ2 LYS A 8 -4.281 -10.374 -2.570 1.00 0.00 H +ATOM 157 HZ3 LYS A 8 -5.664 -10.700 -3.404 1.00 0.00 H +ATOM 158 N ASP A 9 -1.077 -5.668 -1.169 1.00 0.00 N +ATOM 159 CA ASP A 9 0.212 -6.164 -1.668 1.00 0.00 C +ATOM 160 C ASP A 9 1.207 -6.590 -0.560 1.00 0.00 C +ATOM 161 O ASP A 9 2.261 -7.145 -0.857 1.00 0.00 O +ATOM 162 CB ASP A 9 0.834 -5.084 -2.569 1.00 0.00 C +ATOM 163 CG ASP A 9 1.509 -5.695 -3.797 1.00 0.00 C +ATOM 164 OD1 ASP A 9 0.788 -5.935 -4.790 1.00 0.00 O +ATOM 165 OD2 ASP A 9 2.746 -5.888 -3.742 1.00 0.00 O +ATOM 166 H ASP A 9 -1.310 -4.691 -1.337 1.00 0.00 H +ATOM 167 HA ASP A 9 0.016 -7.046 -2.280 1.00 0.00 H +ATOM 168 HB2 ASP A 9 0.061 -4.414 -2.894 1.00 0.00 H +ATOM 169 HB3 ASP A 9 1.556 -4.497 -1.999 1.00 0.00 H +ATOM 170 N GLY A 10 0.892 -6.349 0.722 1.00 0.00 N +ATOM 171 CA GLY A 10 1.749 -6.664 1.870 1.00 0.00 C +ATOM 172 C GLY A 10 2.432 -5.442 2.495 1.00 0.00 C +ATOM 173 O GLY A 10 3.341 -5.612 3.316 1.00 0.00 O +ATOM 174 H GLY A 10 -0.020 -5.949 0.925 1.00 0.00 H +ATOM 175 HA2 GLY A 10 1.134 -7.131 2.639 1.00 0.00 H +ATOM 176 HA3 GLY A 10 2.517 -7.381 1.579 1.00 0.00 H +ATOM 177 N GLY A 11 2.030 -4.224 2.106 1.00 0.00 N +ATOM 178 CA GLY A 11 2.562 -2.956 2.594 1.00 0.00 C +ATOM 179 C GLY A 11 4.077 -2.849 2.377 1.00 0.00 C +ATOM 180 O GLY A 11 4.519 -2.945 1.227 1.00 0.00 O +ATOM 181 H GLY A 11 1.324 -4.158 1.376 1.00 0.00 H +ATOM 182 HA2 GLY A 11 2.087 -2.147 2.042 1.00 0.00 H +ATOM 183 HA3 GLY A 11 2.297 -2.847 3.642 1.00 0.00 H +ATOM 184 N PRO A 12 4.898 -2.704 3.442 1.00 0.00 N +ATOM 185 CA PRO A 12 6.359 -2.670 3.324 1.00 0.00 C +ATOM 186 C PRO A 12 6.945 -3.880 2.582 1.00 0.00 C +ATOM 187 O PRO A 12 7.983 -3.757 1.936 1.00 0.00 O +ATOM 188 CB PRO A 12 6.900 -2.604 4.759 1.00 0.00 C +ATOM 189 CG PRO A 12 5.728 -2.068 5.577 1.00 0.00 C +ATOM 190 CD PRO A 12 4.512 -2.626 4.845 1.00 0.00 C +ATOM 191 HA PRO A 12 6.641 -1.759 2.794 1.00 0.00 H +ATOM 192 HB2 PRO A 12 7.189 -3.579 5.102 1.00 0.00 H +ATOM 193 HB3 PRO A 12 7.769 -1.950 4.830 1.00 0.00 H +ATOM 194 HG2 PRO A 12 5.767 -2.427 6.588 1.00 0.00 H +ATOM 195 HG3 PRO A 12 5.715 -0.978 5.530 1.00 0.00 H +ATOM 196 HD2 PRO A 12 4.264 -3.600 5.220 1.00 0.00 H +ATOM 197 HD3 PRO A 12 3.657 -1.969 5.001 1.00 0.00 H +ATOM 198 N SER A 13 6.257 -5.031 2.623 1.00 0.00 N +ATOM 199 CA SER A 13 6.670 -6.282 1.972 1.00 0.00 C +ATOM 200 C SER A 13 6.824 -6.145 0.453 1.00 0.00 C +ATOM 201 O SER A 13 7.646 -6.844 -0.133 1.00 0.00 O +ATOM 202 CB SER A 13 5.666 -7.410 2.245 1.00 0.00 C +ATOM 203 OG SER A 13 5.190 -7.395 3.578 1.00 0.00 O +ATOM 204 H SER A 13 5.393 -5.044 3.149 1.00 0.00 H +ATOM 205 HA SER A 13 7.634 -6.578 2.384 1.00 0.00 H +ATOM 206 HB2 SER A 13 4.832 -7.298 1.579 1.00 0.00 H +ATOM 207 HB3 SER A 13 6.147 -8.369 2.042 1.00 0.00 H +ATOM 208 HG SER A 13 4.440 -6.757 3.610 1.00 0.00 H +ATOM 209 N SER A 14 6.065 -5.236 -0.178 1.00 0.00 N +ATOM 210 CA SER A 14 6.173 -4.951 -1.616 1.00 0.00 C +ATOM 211 C SER A 14 7.384 -4.059 -1.960 1.00 0.00 C +ATOM 212 O SER A 14 7.680 -3.817 -3.128 1.00 0.00 O +ATOM 213 CB SER A 14 4.873 -4.299 -2.106 1.00 0.00 C +ATOM 214 OG SER A 14 4.686 -4.580 -3.476 1.00 0.00 O +ATOM 215 H SER A 14 5.428 -4.670 0.375 1.00 0.00 H +ATOM 216 HA SER A 14 6.289 -5.897 -2.145 1.00 0.00 H +ATOM 217 HB2 SER A 14 4.045 -4.689 -1.546 1.00 0.00 H +ATOM 218 HB3 SER A 14 4.926 -3.220 -1.965 1.00 0.00 H +ATOM 219 HG SER A 14 3.848 -5.193 -3.590 1.00 0.00 H +ATOM 220 N GLY A 15 8.094 -3.531 -0.951 1.00 0.00 N +ATOM 221 CA GLY A 15 9.291 -2.699 -1.108 1.00 0.00 C +ATOM 222 C GLY A 15 9.020 -1.228 -1.452 1.00 0.00 C +ATOM 223 O GLY A 15 9.943 -0.418 -1.405 1.00 0.00 O +ATOM 224 H GLY A 15 7.836 -3.773 0.003 1.00 0.00 H +ATOM 225 HA2 GLY A 15 9.859 -2.730 -0.178 1.00 0.00 H +ATOM 226 HA3 GLY A 15 9.916 -3.120 -1.896 1.00 0.00 H +ATOM 227 N ARG A 16 7.772 -0.861 -1.777 1.00 0.00 N +ATOM 228 CA ARG A 16 7.352 0.518 -2.058 1.00 0.00 C +ATOM 229 C ARG A 16 6.926 1.233 -0.760 1.00 0.00 C +ATOM 230 O ARG A 16 6.220 0.619 0.040 1.00 0.00 O +ATOM 231 CB ARG A 16 6.203 0.479 -3.084 1.00 0.00 C +ATOM 232 CG ARG A 16 5.906 1.869 -3.663 1.00 0.00 C +ATOM 233 CD ARG A 16 4.859 1.824 -4.784 1.00 0.00 C +ATOM 234 NE ARG A 16 5.035 2.953 -5.722 1.00 0.00 N +ATOM 235 CZ ARG A 16 5.956 3.050 -6.675 1.00 0.00 C +ATOM 236 NH1 ARG A 16 6.818 2.086 -6.908 1.00 0.00 N +ATOM 237 NH2 ARG A 16 6.038 4.130 -7.417 1.00 0.00 N +ATOM 238 H ARG A 16 7.080 -1.599 -1.790 1.00 0.00 H +ATOM 239 HA ARG A 16 8.204 1.035 -2.496 1.00 0.00 H +ATOM 240 HB2 ARG A 16 6.476 -0.180 -3.886 1.00 0.00 H +ATOM 241 HB3 ARG A 16 5.302 0.068 -2.623 1.00 0.00 H +ATOM 242 HG2 ARG A 16 5.541 2.500 -2.875 1.00 0.00 H +ATOM 243 HG3 ARG A 16 6.835 2.270 -4.065 1.00 0.00 H +ATOM 244 HD2 ARG A 16 4.961 0.902 -5.323 1.00 0.00 H +ATOM 245 HD3 ARG A 16 3.862 1.868 -4.338 1.00 0.00 H +ATOM 246 HE ARG A 16 4.410 3.733 -5.609 1.00 0.00 H +ATOM 247 HH11 ARG A 16 6.760 1.254 -6.348 1.00 0.00 H +ATOM 248 HH12 ARG A 16 7.516 2.163 -7.627 1.00 0.00 H +ATOM 249 HH21 ARG A 16 5.407 4.899 -7.273 1.00 0.00 H +ATOM 250 HH22 ARG A 16 6.744 4.192 -8.129 1.00 0.00 H +ATOM 251 N PRO A 17 7.271 2.523 -0.549 1.00 0.00 N +ATOM 252 CA PRO A 17 6.808 3.297 0.611 1.00 0.00 C +ATOM 253 C PRO A 17 5.279 3.519 0.624 1.00 0.00 C +ATOM 254 O PRO A 17 4.632 3.367 -0.415 1.00 0.00 O +ATOM 255 CB PRO A 17 7.573 4.626 0.537 1.00 0.00 C +ATOM 256 CG PRO A 17 7.901 4.777 -0.945 1.00 0.00 C +ATOM 257 CD PRO A 17 8.157 3.337 -1.372 1.00 0.00 C +ATOM 258 HA PRO A 17 7.094 2.768 1.522 1.00 0.00 H +ATOM 259 HB2 PRO A 17 6.961 5.439 0.877 1.00 0.00 H +ATOM 260 HB3 PRO A 17 8.500 4.546 1.107 1.00 0.00 H +ATOM 261 HG2 PRO A 17 7.076 5.201 -1.484 1.00 0.00 H +ATOM 262 HG3 PRO A 17 8.773 5.411 -1.109 1.00 0.00 H +ATOM 263 HD2 PRO A 17 7.927 3.208 -2.412 1.00 0.00 H +ATOM 264 HD3 PRO A 17 9.192 3.067 -1.160 1.00 0.00 H +ATOM 265 N PRO A 18 4.694 3.905 1.780 1.00 0.00 N +ATOM 266 CA PRO A 18 3.255 4.134 1.918 1.00 0.00 C +ATOM 267 C PRO A 18 2.773 5.345 1.089 1.00 0.00 C +ATOM 268 O PRO A 18 3.434 6.387 1.085 1.00 0.00 O +ATOM 269 CB PRO A 18 2.999 4.340 3.415 1.00 0.00 C +ATOM 270 CG PRO A 18 4.345 4.826 3.946 1.00 0.00 C +ATOM 271 CD PRO A 18 5.352 4.088 3.066 1.00 0.00 C +ATOM 272 HA PRO A 18 2.740 3.228 1.610 1.00 0.00 H +ATOM 273 HB2 PRO A 18 2.235 5.077 3.575 1.00 0.00 H +ATOM 274 HB3 PRO A 18 2.750 3.384 3.875 1.00 0.00 H +ATOM 275 HG2 PRO A 18 4.442 5.889 3.834 1.00 0.00 H +ATOM 276 HG3 PRO A 18 4.476 4.586 5.001 1.00 0.00 H +ATOM 277 HD2 PRO A 18 6.245 4.671 2.949 1.00 0.00 H +ATOM 278 HD3 PRO A 18 5.572 3.112 3.500 1.00 0.00 H +ATOM 279 N PRO A 19 1.634 5.227 0.378 1.00 0.00 N +ATOM 280 CA PRO A 19 1.081 6.286 -0.462 1.00 0.00 C +ATOM 281 C PRO A 19 0.140 7.224 0.318 1.00 0.00 C +ATOM 282 O PRO A 19 -0.995 6.854 0.627 1.00 0.00 O +ATOM 283 CB PRO A 19 0.343 5.530 -1.568 1.00 0.00 C +ATOM 284 CG PRO A 19 -0.205 4.301 -0.835 1.00 0.00 C +ATOM 285 CD PRO A 19 0.881 3.994 0.190 1.00 0.00 C +ATOM 286 HA PRO A 19 1.884 6.872 -0.910 1.00 0.00 H +ATOM 287 HB2 PRO A 19 -0.453 6.123 -1.976 1.00 0.00 H +ATOM 288 HB3 PRO A 19 1.059 5.213 -2.327 1.00 0.00 H +ATOM 289 HG2 PRO A 19 -1.137 4.524 -0.353 1.00 0.00 H +ATOM 290 HG3 PRO A 19 -0.362 3.458 -1.502 1.00 0.00 H +ATOM 291 HD2 PRO A 19 0.439 3.685 1.117 1.00 0.00 H +ATOM 292 HD3 PRO A 19 1.543 3.227 -0.214 1.00 0.00 H +ATOM 293 N SER A 20 0.592 8.464 0.558 1.00 0.00 N +ATOM 294 CA SER A 20 -0.080 9.471 1.411 1.00 0.00 C +ATOM 295 C SER A 20 -0.300 8.997 2.863 1.00 0.00 C +ATOM 296 O SER A 20 -1.168 9.604 3.527 1.00 0.00 O +ATOM 297 CB SER A 20 -1.392 9.955 0.771 1.00 0.00 C +ATOM 298 OG SER A 20 -1.109 10.475 -0.508 1.00 0.00 O +ATOM 299 OXT SER A 20 0.428 8.079 3.303 1.00 0.00 O +ATOM 300 H SER A 20 1.561 8.632 0.336 1.00 0.00 H +ATOM 301 HA SER A 20 0.570 10.339 1.493 1.00 0.00 H +ATOM 302 HB2 SER A 20 -2.075 9.132 0.683 1.00 0.00 H +ATOM 303 HB3 SER A 20 -1.847 10.731 1.390 1.00 0.00 H +ATOM 304 HG SER A 20 -0.488 9.864 -0.909 1.00 0.00 H +TER 305 SER A 20 +ENDMDL +MODEL 26 +ATOM 1 N ASN A 1 -6.391 7.510 1.067 1.00 0.00 N +ATOM 2 CA ASN A 1 -7.401 6.806 0.244 1.00 0.00 C +ATOM 3 C ASN A 1 -6.844 5.505 -0.338 1.00 0.00 C +ATOM 4 O ASN A 1 -7.312 4.446 0.047 1.00 0.00 O +ATOM 5 CB ASN A 1 -8.052 7.731 -0.811 1.00 0.00 C +ATOM 6 CG ASN A 1 -9.488 7.309 -1.115 1.00 0.00 C +ATOM 7 OD1 ASN A 1 -10.112 6.606 -0.339 1.00 0.00 O +ATOM 8 ND2 ASN A 1 -10.066 7.738 -2.223 1.00 0.00 N +ATOM 9 H1 ASN A 1 -5.984 6.869 1.737 1.00 0.00 H +ATOM 10 H2 ASN A 1 -5.657 7.891 0.486 1.00 0.00 H +ATOM 11 H3 ASN A 1 -6.829 8.267 1.573 1.00 0.00 H +ATOM 12 HA ASN A 1 -8.203 6.494 0.918 1.00 0.00 H +ATOM 13 HB2 ASN A 1 -8.056 8.737 -0.438 1.00 0.00 H +ATOM 14 HB3 ASN A 1 -7.467 7.735 -1.732 1.00 0.00 H +ATOM 15 HD21 ASN A 1 -9.621 8.342 -2.895 1.00 0.00 H +ATOM 16 HD22 ASN A 1 -11.024 7.438 -2.329 1.00 0.00 H +ATOM 17 N LEU A 2 -5.809 5.545 -1.190 1.00 0.00 N +ATOM 18 CA LEU A 2 -5.260 4.361 -1.876 1.00 0.00 C +ATOM 19 C LEU A 2 -4.455 3.379 -0.984 1.00 0.00 C +ATOM 20 O LEU A 2 -3.894 2.406 -1.484 1.00 0.00 O +ATOM 21 CB LEU A 2 -4.436 4.848 -3.091 1.00 0.00 C +ATOM 22 CG LEU A 2 -4.581 3.949 -4.337 1.00 0.00 C +ATOM 23 CD1 LEU A 2 -5.961 4.101 -4.990 1.00 0.00 C +ATOM 24 CD2 LEU A 2 -3.517 4.307 -5.376 1.00 0.00 C +ATOM 25 H LEU A 2 -5.432 6.430 -1.495 1.00 0.00 H +ATOM 26 HA LEU A 2 -6.112 3.787 -2.244 1.00 0.00 H +ATOM 27 HB2 LEU A 2 -4.762 5.838 -3.347 1.00 0.00 H +ATOM 28 HB3 LEU A 2 -3.385 4.897 -2.803 1.00 0.00 H +ATOM 29 HG LEU A 2 -4.439 2.910 -4.055 1.00 0.00 H +ATOM 30 HD11 LEU A 2 -6.748 3.783 -4.309 1.00 0.00 H +ATOM 31 HD12 LEU A 2 -6.130 5.140 -5.275 1.00 0.00 H +ATOM 32 HD13 LEU A 2 -6.013 3.478 -5.884 1.00 0.00 H +ATOM 33 HD21 LEU A 2 -3.640 5.340 -5.703 1.00 0.00 H +ATOM 34 HD22 LEU A 2 -2.523 4.177 -4.947 1.00 0.00 H +ATOM 35 HD23 LEU A 2 -3.611 3.645 -6.237 1.00 0.00 H +ATOM 36 N TYR A 3 -4.393 3.603 0.335 1.00 0.00 N +ATOM 37 CA TYR A 3 -3.609 2.805 1.286 1.00 0.00 C +ATOM 38 C TYR A 3 -3.980 1.311 1.271 1.00 0.00 C +ATOM 39 O TYR A 3 -3.097 0.457 1.342 1.00 0.00 O +ATOM 40 CB TYR A 3 -3.768 3.413 2.688 1.00 0.00 C +ATOM 41 CG TYR A 3 -2.733 2.956 3.700 1.00 0.00 C +ATOM 42 CD1 TYR A 3 -1.416 3.452 3.615 1.00 0.00 C +ATOM 43 CD2 TYR A 3 -3.089 2.094 4.759 1.00 0.00 C +ATOM 44 CE1 TYR A 3 -0.459 3.085 4.578 1.00 0.00 C +ATOM 45 CE2 TYR A 3 -2.137 1.743 5.737 1.00 0.00 C +ATOM 46 CZ TYR A 3 -0.818 2.240 5.645 1.00 0.00 C +ATOM 47 OH TYR A 3 0.102 1.933 6.600 1.00 0.00 O +ATOM 48 H TYR A 3 -4.931 4.374 0.692 1.00 0.00 H +ATOM 49 HA TYR A 3 -2.558 2.880 1.004 1.00 0.00 H +ATOM 50 HB2 TYR A 3 -3.700 4.480 2.599 1.00 0.00 H +ATOM 51 HB3 TYR A 3 -4.769 3.193 3.064 1.00 0.00 H +ATOM 52 HD1 TYR A 3 -1.140 4.153 2.841 1.00 0.00 H +ATOM 53 HD2 TYR A 3 -4.101 1.723 4.839 1.00 0.00 H +ATOM 54 HE1 TYR A 3 0.543 3.484 4.536 1.00 0.00 H +ATOM 55 HE2 TYR A 3 -2.415 1.104 6.560 1.00 0.00 H +ATOM 56 HH TYR A 3 -0.304 1.658 7.423 1.00 0.00 H +ATOM 57 N ILE A 4 -5.271 0.979 1.105 1.00 0.00 N +ATOM 58 CA ILE A 4 -5.754 -0.410 1.022 1.00 0.00 C +ATOM 59 C ILE A 4 -5.089 -1.175 -0.139 1.00 0.00 C +ATOM 60 O ILE A 4 -4.712 -2.334 0.030 1.00 0.00 O +ATOM 61 CB ILE A 4 -7.299 -0.466 0.907 1.00 0.00 C +ATOM 62 CG1 ILE A 4 -8.026 0.325 2.026 1.00 0.00 C +ATOM 63 CG2 ILE A 4 -7.790 -1.925 0.951 1.00 0.00 C +ATOM 64 CD1 ILE A 4 -8.616 1.639 1.507 1.00 0.00 C +ATOM 65 H ILE A 4 -5.941 1.734 1.048 1.00 0.00 H +ATOM 66 HA ILE A 4 -5.466 -0.915 1.945 1.00 0.00 H +ATOM 67 HB ILE A 4 -7.586 -0.056 -0.062 1.00 0.00 H +ATOM 68 HG12 ILE A 4 -8.820 -0.280 2.419 1.00 0.00 H +ATOM 69 HG13 ILE A 4 -7.342 0.536 2.850 1.00 0.00 H +ATOM 70 HG21 ILE A 4 -7.387 -2.483 0.107 1.00 0.00 H +ATOM 71 HG22 ILE A 4 -7.482 -2.388 1.890 1.00 0.00 H +ATOM 72 HG23 ILE A 4 -8.878 -1.947 0.874 1.00 0.00 H +ATOM 73 HD11 ILE A 4 -7.815 2.287 1.164 1.00 0.00 H +ATOM 74 HD12 ILE A 4 -9.304 1.440 0.682 1.00 0.00 H +ATOM 75 HD13 ILE A 4 -9.164 2.137 2.308 1.00 0.00 H +ATOM 76 N GLN A 5 -4.926 -0.531 -1.304 1.00 0.00 N +ATOM 77 CA GLN A 5 -4.245 -1.108 -2.469 1.00 0.00 C +ATOM 78 C GLN A 5 -2.765 -1.396 -2.181 1.00 0.00 C +ATOM 79 O GLN A 5 -2.271 -2.461 -2.542 1.00 0.00 O +ATOM 80 CB GLN A 5 -4.387 -0.170 -3.681 1.00 0.00 C +ATOM 81 CG GLN A 5 -5.621 -0.468 -4.541 1.00 0.00 C +ATOM 82 CD GLN A 5 -5.458 -1.776 -5.310 1.00 0.00 C +ATOM 83 OE1 GLN A 5 -4.686 -1.876 -6.248 1.00 0.00 O +ATOM 84 NE2 GLN A 5 -6.163 -2.827 -4.942 1.00 0.00 N +ATOM 85 H GLN A 5 -5.175 0.448 -1.343 1.00 0.00 H +ATOM 86 HA GLN A 5 -4.705 -2.066 -2.705 1.00 0.00 H +ATOM 87 HB2 GLN A 5 -4.457 0.839 -3.324 1.00 0.00 H +ATOM 88 HB3 GLN A 5 -3.501 -0.243 -4.314 1.00 0.00 H +ATOM 89 HG2 GLN A 5 -6.481 -0.542 -3.904 1.00 0.00 H +ATOM 90 HG3 GLN A 5 -5.740 0.337 -5.267 1.00 0.00 H +ATOM 91 HE21 GLN A 5 -6.842 -2.805 -4.203 1.00 0.00 H +ATOM 92 HE22 GLN A 5 -5.976 -3.641 -5.504 1.00 0.00 H +ATOM 93 N TRP A 6 -2.070 -0.489 -1.486 1.00 0.00 N +ATOM 94 CA TRP A 6 -0.694 -0.725 -1.048 1.00 0.00 C +ATOM 95 C TRP A 6 -0.586 -1.880 -0.041 1.00 0.00 C +ATOM 96 O TRP A 6 0.293 -2.734 -0.172 1.00 0.00 O +ATOM 97 CB TRP A 6 -0.120 0.575 -0.487 1.00 0.00 C +ATOM 98 CG TRP A 6 1.275 0.460 0.036 1.00 0.00 C +ATOM 99 CD1 TRP A 6 2.391 0.368 -0.723 1.00 0.00 C +ATOM 100 CD2 TRP A 6 1.722 0.382 1.424 1.00 0.00 C +ATOM 101 NE1 TRP A 6 3.492 0.238 0.099 1.00 0.00 N +ATOM 102 CE2 TRP A 6 3.144 0.266 1.428 1.00 0.00 C +ATOM 103 CE3 TRP A 6 1.079 0.400 2.681 1.00 0.00 C +ATOM 104 CZ2 TRP A 6 3.896 0.202 2.607 1.00 0.00 C +ATOM 105 CZ3 TRP A 6 1.824 0.321 3.875 1.00 0.00 C +ATOM 106 CH2 TRP A 6 3.227 0.234 3.842 1.00 0.00 C +ATOM 107 H TRP A 6 -2.540 0.365 -1.212 1.00 0.00 H +ATOM 108 HA TRP A 6 -0.096 -1.008 -1.916 1.00 0.00 H +ATOM 109 HB2 TRP A 6 -0.125 1.309 -1.269 1.00 0.00 H +ATOM 110 HB3 TRP A 6 -0.758 0.938 0.318 1.00 0.00 H +ATOM 111 HD1 TRP A 6 2.415 0.380 -1.804 1.00 0.00 H +ATOM 112 HE1 TRP A 6 4.461 0.154 -0.221 1.00 0.00 H +ATOM 113 HE3 TRP A 6 0.002 0.485 2.724 1.00 0.00 H +ATOM 114 HZ2 TRP A 6 4.971 0.113 2.553 1.00 0.00 H +ATOM 115 HZ3 TRP A 6 1.315 0.339 4.828 1.00 0.00 H +ATOM 116 HH2 TRP A 6 3.787 0.188 4.764 1.00 0.00 H +ATOM 117 N LEU A 7 -1.509 -1.961 0.928 1.00 0.00 N +ATOM 118 CA LEU A 7 -1.576 -3.104 1.842 1.00 0.00 C +ATOM 119 C LEU A 7 -1.846 -4.428 1.109 1.00 0.00 C +ATOM 120 O LEU A 7 -1.246 -5.436 1.477 1.00 0.00 O +ATOM 121 CB LEU A 7 -2.635 -2.881 2.933 1.00 0.00 C +ATOM 122 CG LEU A 7 -2.340 -1.734 3.917 1.00 0.00 C +ATOM 123 CD1 LEU A 7 -3.514 -1.637 4.896 1.00 0.00 C +ATOM 124 CD2 LEU A 7 -1.050 -1.947 4.717 1.00 0.00 C +ATOM 125 H LEU A 7 -2.179 -1.199 1.017 1.00 0.00 H +ATOM 126 HA LEU A 7 -0.602 -3.218 2.316 1.00 0.00 H +ATOM 127 HB2 LEU A 7 -3.569 -2.670 2.449 1.00 0.00 H +ATOM 128 HB3 LEU A 7 -2.724 -3.804 3.508 1.00 0.00 H +ATOM 129 HG LEU A 7 -2.258 -0.794 3.378 1.00 0.00 H +ATOM 130 HD11 LEU A 7 -4.444 -1.501 4.345 1.00 0.00 H +ATOM 131 HD12 LEU A 7 -3.577 -2.544 5.497 1.00 0.00 H +ATOM 132 HD13 LEU A 7 -3.373 -0.786 5.557 1.00 0.00 H +ATOM 133 HD21 LEU A 7 -1.082 -2.901 5.242 1.00 0.00 H +ATOM 134 HD22 LEU A 7 -0.188 -1.932 4.050 1.00 0.00 H +ATOM 135 HD23 LEU A 7 -0.929 -1.141 5.440 1.00 0.00 H +ATOM 136 N LYS A 8 -2.690 -4.435 0.061 1.00 0.00 N +ATOM 137 CA LYS A 8 -2.971 -5.620 -0.774 1.00 0.00 C +ATOM 138 C LYS A 8 -1.703 -6.283 -1.322 1.00 0.00 C +ATOM 139 O LYS A 8 -1.660 -7.507 -1.400 1.00 0.00 O +ATOM 140 CB LYS A 8 -3.900 -5.260 -1.954 1.00 0.00 C +ATOM 141 CG LYS A 8 -5.270 -5.950 -1.934 1.00 0.00 C +ATOM 142 CD LYS A 8 -6.299 -5.296 -1.003 1.00 0.00 C +ATOM 143 CE LYS A 8 -6.225 -5.825 0.432 1.00 0.00 C +ATOM 144 NZ LYS A 8 -7.472 -5.522 1.173 1.00 0.00 N +ATOM 145 H LYS A 8 -3.165 -3.561 -0.155 1.00 0.00 H +ATOM 146 HA LYS A 8 -3.442 -6.380 -0.153 1.00 0.00 H +ATOM 147 HB2 LYS A 8 -4.061 -4.199 -1.939 1.00 0.00 H +ATOM 148 HB3 LYS A 8 -3.414 -5.561 -2.885 1.00 0.00 H +ATOM 149 HG2 LYS A 8 -5.666 -5.938 -2.931 1.00 0.00 H +ATOM 150 HG3 LYS A 8 -5.158 -7.008 -1.693 1.00 0.00 H +ATOM 151 HD2 LYS A 8 -6.123 -4.238 -0.987 1.00 0.00 H +ATOM 152 HD3 LYS A 8 -7.289 -5.514 -1.408 1.00 0.00 H +ATOM 153 HE2 LYS A 8 -6.080 -6.888 0.407 1.00 0.00 H +ATOM 154 HE3 LYS A 8 -5.360 -5.380 0.933 1.00 0.00 H +ATOM 155 HZ1 LYS A 8 -7.622 -4.522 1.214 1.00 0.00 H +ATOM 156 HZ2 LYS A 8 -8.262 -5.946 0.705 1.00 0.00 H +ATOM 157 HZ3 LYS A 8 -7.423 -5.889 2.114 1.00 0.00 H +ATOM 158 N ASP A 9 -0.697 -5.489 -1.696 1.00 0.00 N +ATOM 159 CA ASP A 9 0.578 -5.995 -2.210 1.00 0.00 C +ATOM 160 C ASP A 9 1.430 -6.676 -1.116 1.00 0.00 C +ATOM 161 O ASP A 9 2.217 -7.569 -1.419 1.00 0.00 O +ATOM 162 CB ASP A 9 1.320 -4.822 -2.871 1.00 0.00 C +ATOM 163 CG ASP A 9 2.419 -5.299 -3.819 1.00 0.00 C +ATOM 164 OD1 ASP A 9 3.520 -5.598 -3.301 1.00 0.00 O +ATOM 165 OD2 ASP A 9 2.157 -5.333 -5.040 1.00 0.00 O +ATOM 166 H ASP A 9 -0.826 -4.488 -1.630 1.00 0.00 H +ATOM 167 HA ASP A 9 0.373 -6.742 -2.979 1.00 0.00 H +ATOM 168 HB2 ASP A 9 0.614 -4.235 -3.427 1.00 0.00 H +ATOM 169 HB3 ASP A 9 1.750 -4.177 -2.102 1.00 0.00 H +ATOM 170 N GLY A 10 1.241 -6.295 0.157 1.00 0.00 N +ATOM 171 CA GLY A 10 2.072 -6.717 1.292 1.00 0.00 C +ATOM 172 C GLY A 10 2.600 -5.567 2.160 1.00 0.00 C +ATOM 173 O GLY A 10 3.329 -5.819 3.122 1.00 0.00 O +ATOM 174 H GLY A 10 0.439 -5.705 0.348 1.00 0.00 H +ATOM 175 HA2 GLY A 10 1.481 -7.376 1.928 1.00 0.00 H +ATOM 176 HA3 GLY A 10 2.933 -7.279 0.931 1.00 0.00 H +ATOM 177 N GLY A 11 2.242 -4.309 1.862 1.00 0.00 N +ATOM 178 CA GLY A 11 2.640 -3.145 2.653 1.00 0.00 C +ATOM 179 C GLY A 11 4.171 -3.021 2.779 1.00 0.00 C +ATOM 180 O GLY A 11 4.857 -3.010 1.755 1.00 0.00 O +ATOM 181 H GLY A 11 1.703 -4.147 1.019 1.00 0.00 H +ATOM 182 HA2 GLY A 11 2.262 -2.248 2.167 1.00 0.00 H +ATOM 183 HA3 GLY A 11 2.174 -3.222 3.633 1.00 0.00 H +ATOM 184 N PRO A 12 4.750 -2.936 3.998 1.00 0.00 N +ATOM 185 CA PRO A 12 6.203 -2.848 4.176 1.00 0.00 C +ATOM 186 C PRO A 12 6.986 -3.997 3.521 1.00 0.00 C +ATOM 187 O PRO A 12 8.127 -3.802 3.103 1.00 0.00 O +ATOM 188 CB PRO A 12 6.446 -2.831 5.690 1.00 0.00 C +ATOM 189 CG PRO A 12 5.113 -2.378 6.278 1.00 0.00 C +ATOM 190 CD PRO A 12 4.086 -2.931 5.293 1.00 0.00 C +ATOM 191 HA PRO A 12 6.548 -1.905 3.749 1.00 0.00 H +ATOM 192 HB2 PRO A 12 6.705 -3.810 6.045 1.00 0.00 H +ATOM 193 HB3 PRO A 12 7.253 -2.148 5.957 1.00 0.00 H +ATOM 194 HG2 PRO A 12 4.966 -2.790 7.258 1.00 0.00 H +ATOM 195 HG3 PRO A 12 5.066 -1.289 6.283 1.00 0.00 H +ATOM 196 HD2 PRO A 12 3.799 -3.927 5.571 1.00 0.00 H +ATOM 197 HD3 PRO A 12 3.196 -2.303 5.294 1.00 0.00 H +ATOM 198 N SER A 13 6.377 -5.184 3.397 1.00 0.00 N +ATOM 199 CA SER A 13 6.999 -6.365 2.789 1.00 0.00 C +ATOM 200 C SER A 13 7.090 -6.294 1.255 1.00 0.00 C +ATOM 201 O SER A 13 7.691 -7.181 0.653 1.00 0.00 O +ATOM 202 CB SER A 13 6.253 -7.630 3.234 1.00 0.00 C +ATOM 203 OG SER A 13 6.246 -7.721 4.648 1.00 0.00 O +ATOM 204 H SER A 13 5.417 -5.288 3.715 1.00 0.00 H +ATOM 205 HA SER A 13 8.023 -6.439 3.156 1.00 0.00 H +ATOM 206 HB2 SER A 13 5.242 -7.590 2.876 1.00 0.00 H +ATOM 207 HB3 SER A 13 6.749 -8.510 2.826 1.00 0.00 H +ATOM 208 HG SER A 13 7.152 -7.694 4.967 1.00 0.00 H +ATOM 209 N SER A 14 6.547 -5.244 0.623 1.00 0.00 N +ATOM 210 CA SER A 14 6.546 -5.037 -0.834 1.00 0.00 C +ATOM 211 C SER A 14 7.710 -4.195 -1.366 1.00 0.00 C +ATOM 212 O SER A 14 7.806 -3.980 -2.574 1.00 0.00 O +ATOM 213 CB SER A 14 5.255 -4.326 -1.232 1.00 0.00 C +ATOM 214 OG SER A 14 4.168 -5.191 -1.045 1.00 0.00 O +ATOM 215 H SER A 14 6.016 -4.575 1.174 1.00 0.00 H +ATOM 216 HA SER A 14 6.572 -6.003 -1.341 1.00 0.00 H +ATOM 217 HB2 SER A 14 5.126 -3.452 -0.623 1.00 0.00 H +ATOM 218 HB3 SER A 14 5.295 -4.054 -2.288 1.00 0.00 H +ATOM 219 HG SER A 14 3.879 -5.451 -2.001 1.00 0.00 H +ATOM 220 N GLY A 15 8.565 -3.636 -0.501 1.00 0.00 N +ATOM 221 CA GLY A 15 9.674 -2.757 -0.898 1.00 0.00 C +ATOM 222 C GLY A 15 9.253 -1.339 -1.324 1.00 0.00 C +ATOM 223 O GLY A 15 9.969 -0.382 -1.033 1.00 0.00 O +ATOM 224 H GLY A 15 8.424 -3.831 0.482 1.00 0.00 H +ATOM 225 HA2 GLY A 15 10.376 -2.674 -0.069 1.00 0.00 H +ATOM 226 HA3 GLY A 15 10.203 -3.214 -1.736 1.00 0.00 H +ATOM 227 N ARG A 16 8.102 -1.178 -1.996 1.00 0.00 N +ATOM 228 CA ARG A 16 7.531 0.125 -2.365 1.00 0.00 C +ATOM 229 C ARG A 16 6.961 0.857 -1.128 1.00 0.00 C +ATOM 230 O ARG A 16 6.215 0.232 -0.372 1.00 0.00 O +ATOM 231 CB ARG A 16 6.442 -0.081 -3.437 1.00 0.00 C +ATOM 232 CG ARG A 16 5.971 1.260 -4.018 1.00 0.00 C +ATOM 233 CD ARG A 16 4.982 1.094 -5.178 1.00 0.00 C +ATOM 234 NE ARG A 16 4.802 2.367 -5.907 1.00 0.00 N +ATOM 235 CZ ARG A 16 5.658 2.919 -6.763 1.00 0.00 C +ATOM 236 NH1 ARG A 16 6.787 2.331 -7.088 1.00 0.00 N +ATOM 237 NH2 ARG A 16 5.400 4.083 -7.311 1.00 0.00 N +ATOM 238 H ARG A 16 7.619 -2.035 -2.253 1.00 0.00 H +ATOM 239 HA ARG A 16 8.340 0.714 -2.794 1.00 0.00 H +ATOM 240 HB2 ARG A 16 6.841 -0.685 -4.229 1.00 0.00 H +ATOM 241 HB3 ARG A 16 5.593 -0.617 -3.009 1.00 0.00 H +ATOM 242 HG2 ARG A 16 5.493 1.822 -3.239 1.00 0.00 H +ATOM 243 HG3 ARG A 16 6.844 1.801 -4.375 1.00 0.00 H +ATOM 244 HD2 ARG A 16 5.357 0.352 -5.856 1.00 0.00 H +ATOM 245 HD3 ARG A 16 4.021 0.765 -4.779 1.00 0.00 H +ATOM 246 HE ARG A 16 3.960 2.882 -5.711 1.00 0.00 H +ATOM 247 HH11 ARG A 16 6.987 1.438 -6.674 1.00 0.00 H +ATOM 248 HH12 ARG A 16 7.437 2.753 -7.728 1.00 0.00 H +ATOM 249 HH21 ARG A 16 4.551 4.572 -7.091 1.00 0.00 H +ATOM 250 HH22 ARG A 16 6.056 4.492 -7.951 1.00 0.00 H +ATOM 251 N PRO A 17 7.229 2.166 -0.931 1.00 0.00 N +ATOM 252 CA PRO A 17 6.645 2.952 0.164 1.00 0.00 C +ATOM 253 C PRO A 17 5.124 3.174 0.002 1.00 0.00 C +ATOM 254 O PRO A 17 4.593 2.997 -1.099 1.00 0.00 O +ATOM 255 CB PRO A 17 7.407 4.284 0.146 1.00 0.00 C +ATOM 256 CG PRO A 17 7.816 4.441 -1.315 1.00 0.00 C +ATOM 257 CD PRO A 17 8.118 3.003 -1.727 1.00 0.00 C +ATOM 258 HA PRO A 17 6.829 2.440 1.109 1.00 0.00 H +ATOM 259 HB2 PRO A 17 6.773 5.093 0.456 1.00 0.00 H +ATOM 260 HB3 PRO A 17 8.301 4.200 0.766 1.00 0.00 H +ATOM 261 HG2 PRO A 17 7.016 4.853 -1.900 1.00 0.00 H +ATOM 262 HG3 PRO A 17 8.685 5.087 -1.430 1.00 0.00 H +ATOM 263 HD2 PRO A 17 7.923 2.865 -2.773 1.00 0.00 H +ATOM 264 HD3 PRO A 17 9.154 2.758 -1.485 1.00 0.00 H +ATOM 265 N PRO A 18 4.413 3.584 1.073 1.00 0.00 N +ATOM 266 CA PRO A 18 2.970 3.822 1.030 1.00 0.00 C +ATOM 267 C PRO A 18 2.594 5.069 0.201 1.00 0.00 C +ATOM 268 O PRO A 18 3.394 5.998 0.089 1.00 0.00 O +ATOM 269 CB PRO A 18 2.538 3.970 2.492 1.00 0.00 C +ATOM 270 CG PRO A 18 3.794 4.489 3.188 1.00 0.00 C +ATOM 271 CD PRO A 18 4.918 3.789 2.425 1.00 0.00 C +ATOM 272 HA PRO A 18 2.489 2.946 0.603 1.00 0.00 H +ATOM 273 HB2 PRO A 18 1.732 4.672 2.584 1.00 0.00 H +ATOM 274 HB3 PRO A 18 2.286 2.991 2.895 1.00 0.00 H +ATOM 275 HG2 PRO A 18 3.872 5.555 3.099 1.00 0.00 H +ATOM 276 HG3 PRO A 18 3.805 4.232 4.248 1.00 0.00 H +ATOM 277 HD2 PRO A 18 5.797 4.405 2.406 1.00 0.00 H +ATOM 278 HD3 PRO A 18 5.127 2.823 2.884 1.00 0.00 H +ATOM 279 N PRO A 19 1.367 5.119 -0.360 1.00 0.00 N +ATOM 280 CA PRO A 19 0.902 6.218 -1.210 1.00 0.00 C +ATOM 281 C PRO A 19 0.393 7.441 -0.434 1.00 0.00 C +ATOM 282 O PRO A 19 0.376 8.539 -0.986 1.00 0.00 O +ATOM 283 CB PRO A 19 -0.244 5.614 -2.031 1.00 0.00 C +ATOM 284 CG PRO A 19 -0.838 4.567 -1.088 1.00 0.00 C +ATOM 285 CD PRO A 19 0.396 4.036 -0.365 1.00 0.00 C +ATOM 286 HA PRO A 19 1.700 6.542 -1.881 1.00 0.00 H +ATOM 287 HB2 PRO A 19 -0.972 6.361 -2.283 1.00 0.00 H +ATOM 288 HB3 PRO A 19 0.161 5.121 -2.915 1.00 0.00 H +ATOM 289 HG2 PRO A 19 -1.529 5.013 -0.399 1.00 0.00 H +ATOM 290 HG3 PRO A 19 -1.356 3.777 -1.634 1.00 0.00 H +ATOM 291 HD2 PRO A 19 0.146 3.757 0.640 1.00 0.00 H +ATOM 292 HD3 PRO A 19 0.819 3.209 -0.930 1.00 0.00 H +ATOM 293 N SER A 20 -0.071 7.250 0.808 1.00 0.00 N +ATOM 294 CA SER A 20 -0.627 8.275 1.694 1.00 0.00 C +ATOM 295 C SER A 20 -0.615 7.810 3.147 1.00 0.00 C +ATOM 296 O SER A 20 -0.310 6.619 3.378 1.00 0.00 O +ATOM 297 CB SER A 20 -2.071 8.593 1.302 1.00 0.00 C +ATOM 298 OG SER A 20 -2.519 9.564 2.220 1.00 0.00 O +ATOM 299 OXT SER A 20 -1.045 8.668 3.958 1.00 0.00 O +ATOM 300 H SER A 20 0.027 6.343 1.249 1.00 0.00 H +ATOM 301 HA SER A 20 -0.028 9.183 1.627 1.00 0.00 H +ATOM 302 HB2 SER A 20 -2.109 8.980 0.302 1.00 0.00 H +ATOM 303 HB3 SER A 20 -2.678 7.692 1.404 1.00 0.00 H +ATOM 304 HG SER A 20 -1.976 9.352 3.052 1.00 0.00 H +TER 305 SER A 20 +ENDMDL +MODEL 27 +ATOM 1 N ASN A 1 -6.891 7.053 0.882 1.00 0.00 N +ATOM 2 CA ASN A 1 -7.783 6.096 0.185 1.00 0.00 C +ATOM 3 C ASN A 1 -7.000 4.934 -0.439 1.00 0.00 C +ATOM 4 O ASN A 1 -7.252 3.795 -0.069 1.00 0.00 O +ATOM 5 CB ASN A 1 -8.741 6.795 -0.802 1.00 0.00 C +ATOM 6 CG ASN A 1 -10.186 6.423 -0.481 1.00 0.00 C +ATOM 7 OD1 ASN A 1 -10.742 5.509 -1.060 1.00 0.00 O +ATOM 8 ND2 ASN A 1 -10.818 7.078 0.477 1.00 0.00 N +ATOM 9 H1 ASN A 1 -6.270 6.561 1.512 1.00 0.00 H +ATOM 10 H2 ASN A 1 -6.341 7.576 0.215 1.00 0.00 H +ATOM 11 H3 ASN A 1 -7.442 7.704 1.424 1.00 0.00 H +ATOM 12 HA ASN A 1 -8.409 5.625 0.947 1.00 0.00 H +ATOM 13 HB2 ASN A 1 -8.621 7.858 -0.720 1.00 0.00 H +ATOM 14 HB3 ASN A 1 -8.526 6.488 -1.827 1.00 0.00 H +ATOM 15 HD21 ASN A 1 -10.460 7.874 0.978 1.00 0.00 H +ATOM 16 HD22 ASN A 1 -11.767 6.760 0.616 1.00 0.00 H +ATOM 17 N LEU A 2 -6.006 5.194 -1.304 1.00 0.00 N +ATOM 18 CA LEU A 2 -5.176 4.163 -1.955 1.00 0.00 C +ATOM 19 C LEU A 2 -4.381 3.236 -1.006 1.00 0.00 C +ATOM 20 O LEU A 2 -3.851 2.217 -1.451 1.00 0.00 O +ATOM 21 CB LEU A 2 -4.228 4.849 -2.968 1.00 0.00 C +ATOM 22 CG LEU A 2 -4.572 4.553 -4.446 1.00 0.00 C +ATOM 23 CD1 LEU A 2 -4.888 5.843 -5.207 1.00 0.00 C +ATOM 24 CD2 LEU A 2 -3.420 3.823 -5.139 1.00 0.00 C +ATOM 25 H LEU A 2 -5.840 6.139 -1.619 1.00 0.00 H +ATOM 26 HA LEU A 2 -5.853 3.499 -2.494 1.00 0.00 H +ATOM 27 HB2 LEU A 2 -4.280 5.910 -2.815 1.00 0.00 H +ATOM 28 HB3 LEU A 2 -3.207 4.517 -2.778 1.00 0.00 H +ATOM 29 HG LEU A 2 -5.453 3.919 -4.507 1.00 0.00 H +ATOM 30 HD11 LEU A 2 -5.757 6.328 -4.763 1.00 0.00 H +ATOM 31 HD12 LEU A 2 -4.034 6.520 -5.172 1.00 0.00 H +ATOM 32 HD13 LEU A 2 -5.113 5.608 -6.248 1.00 0.00 H +ATOM 33 HD21 LEU A 2 -2.521 4.441 -5.130 1.00 0.00 H +ATOM 34 HD22 LEU A 2 -3.217 2.884 -4.623 1.00 0.00 H +ATOM 35 HD23 LEU A 2 -3.691 3.600 -6.170 1.00 0.00 H +ATOM 36 N TYR A 3 -4.322 3.538 0.295 1.00 0.00 N +ATOM 37 CA TYR A 3 -3.630 2.739 1.309 1.00 0.00 C +ATOM 38 C TYR A 3 -4.063 1.261 1.312 1.00 0.00 C +ATOM 39 O TYR A 3 -3.226 0.377 1.478 1.00 0.00 O +ATOM 40 CB TYR A 3 -3.838 3.395 2.684 1.00 0.00 C +ATOM 41 CG TYR A 3 -2.746 3.070 3.682 1.00 0.00 C +ATOM 42 CD1 TYR A 3 -1.555 3.822 3.668 1.00 0.00 C +ATOM 43 CD2 TYR A 3 -2.916 2.041 4.628 1.00 0.00 C +ATOM 44 CE1 TYR A 3 -0.528 3.543 4.588 1.00 0.00 C +ATOM 45 CE2 TYR A 3 -1.889 1.757 5.549 1.00 0.00 C +ATOM 46 CZ TYR A 3 -0.690 2.503 5.526 1.00 0.00 C +ATOM 47 OH TYR A 3 0.302 2.210 6.407 1.00 0.00 O +ATOM 48 H TYR A 3 -4.782 4.379 0.596 1.00 0.00 H +ATOM 49 HA TYR A 3 -2.564 2.767 1.081 1.00 0.00 H +ATOM 50 HB2 TYR A 3 -3.870 4.459 2.551 1.00 0.00 H +ATOM 51 HB3 TYR A 3 -4.808 3.100 3.087 1.00 0.00 H +ATOM 52 HD1 TYR A 3 -1.427 4.632 2.963 1.00 0.00 H +ATOM 53 HD2 TYR A 3 -3.834 1.470 4.653 1.00 0.00 H +ATOM 54 HE1 TYR A 3 0.367 4.148 4.584 1.00 0.00 H +ATOM 55 HE2 TYR A 3 -1.998 0.980 6.291 1.00 0.00 H +ATOM 56 HH TYR A 3 1.068 2.771 6.272 1.00 0.00 H +ATOM 57 N ILE A 4 -5.351 0.975 1.056 1.00 0.00 N +ATOM 58 CA ILE A 4 -5.888 -0.395 0.981 1.00 0.00 C +ATOM 59 C ILE A 4 -5.258 -1.202 -0.170 1.00 0.00 C +ATOM 60 O ILE A 4 -5.000 -2.397 -0.010 1.00 0.00 O +ATOM 61 CB ILE A 4 -7.431 -0.365 0.840 1.00 0.00 C +ATOM 62 CG1 ILE A 4 -8.123 0.422 1.988 1.00 0.00 C +ATOM 63 CG2 ILE A 4 -8.009 -1.791 0.799 1.00 0.00 C +ATOM 64 CD1 ILE A 4 -8.974 1.614 1.515 1.00 0.00 C +ATOM 65 H ILE A 4 -5.981 1.754 0.908 1.00 0.00 H +ATOM 66 HA ILE A 4 -5.641 -0.909 1.910 1.00 0.00 H +ATOM 67 HB ILE A 4 -7.663 0.104 -0.117 1.00 0.00 H +ATOM 68 HG12 ILE A 4 -8.761 -0.255 2.523 1.00 0.00 H +ATOM 69 HG13 ILE A 4 -7.383 0.790 2.700 1.00 0.00 H +ATOM 70 HG21 ILE A 4 -7.689 -2.299 -0.111 1.00 0.00 H +ATOM 71 HG22 ILE A 4 -7.678 -2.350 1.677 1.00 0.00 H +ATOM 72 HG23 ILE A 4 -9.099 -1.748 0.791 1.00 0.00 H +ATOM 73 HD11 ILE A 4 -8.549 2.540 1.901 1.00 0.00 H +ATOM 74 HD12 ILE A 4 -9.023 1.674 0.427 1.00 0.00 H +ATOM 75 HD13 ILE A 4 -9.990 1.511 1.898 1.00 0.00 H +ATOM 76 N GLN A 5 -5.008 -0.559 -1.320 1.00 0.00 N +ATOM 77 CA GLN A 5 -4.326 -1.156 -2.473 1.00 0.00 C +ATOM 78 C GLN A 5 -2.853 -1.433 -2.147 1.00 0.00 C +ATOM 79 O GLN A 5 -2.377 -2.543 -2.369 1.00 0.00 O +ATOM 80 CB GLN A 5 -4.472 -0.240 -3.703 1.00 0.00 C +ATOM 81 CG GLN A 5 -5.830 -0.425 -4.399 1.00 0.00 C +ATOM 82 CD GLN A 5 -6.178 0.770 -5.279 1.00 0.00 C +ATOM 83 OE1 GLN A 5 -5.720 0.909 -6.400 1.00 0.00 O +ATOM 84 NE2 GLN A 5 -7.002 1.685 -4.804 1.00 0.00 N +ATOM 85 H GLN A 5 -5.155 0.443 -1.336 1.00 0.00 H +ATOM 86 HA GLN A 5 -4.787 -2.118 -2.705 1.00 0.00 H +ATOM 87 HB2 GLN A 5 -4.380 0.781 -3.387 1.00 0.00 H +ATOM 88 HB3 GLN A 5 -3.684 -0.462 -4.425 1.00 0.00 H +ATOM 89 HG2 GLN A 5 -5.791 -1.307 -5.009 1.00 0.00 H +ATOM 90 HG3 GLN A 5 -6.617 -0.559 -3.656 1.00 0.00 H +ATOM 91 HE21 GLN A 5 -7.431 1.614 -3.898 1.00 0.00 H +ATOM 92 HE22 GLN A 5 -7.199 2.423 -5.458 1.00 0.00 H +ATOM 93 N TRP A 6 -2.147 -0.465 -1.550 1.00 0.00 N +ATOM 94 CA TRP A 6 -0.764 -0.655 -1.100 1.00 0.00 C +ATOM 95 C TRP A 6 -0.620 -1.767 -0.046 1.00 0.00 C +ATOM 96 O TRP A 6 0.292 -2.590 -0.131 1.00 0.00 O +ATOM 97 CB TRP A 6 -0.223 0.670 -0.570 1.00 0.00 C +ATOM 98 CG TRP A 6 1.164 0.588 -0.013 1.00 0.00 C +ATOM 99 CD1 TRP A 6 2.300 0.553 -0.745 1.00 0.00 C +ATOM 100 CD2 TRP A 6 1.583 0.484 1.384 1.00 0.00 C +ATOM 101 NE1 TRP A 6 3.385 0.445 0.101 1.00 0.00 N +ATOM 102 CE2 TRP A 6 3.006 0.404 1.417 1.00 0.00 C +ATOM 103 CE3 TRP A 6 0.917 0.446 2.628 1.00 0.00 C +ATOM 104 CZ2 TRP A 6 3.739 0.321 2.605 1.00 0.00 C +ATOM 105 CZ3 TRP A 6 1.641 0.345 3.833 1.00 0.00 C +ATOM 106 CH2 TRP A 6 3.047 0.297 3.825 1.00 0.00 C +ATOM 107 H TRP A 6 -2.601 0.431 -1.402 1.00 0.00 H +ATOM 108 HA TRP A 6 -0.156 -0.955 -1.957 1.00 0.00 H +ATOM 109 HB2 TRP A 6 -0.221 1.379 -1.376 1.00 0.00 H +ATOM 110 HB3 TRP A 6 -0.886 1.043 0.211 1.00 0.00 H +ATOM 111 HD1 TRP A 6 2.343 0.604 -1.827 1.00 0.00 H +ATOM 112 HE1 TRP A 6 4.363 0.430 -0.184 1.00 0.00 H +ATOM 113 HE3 TRP A 6 -0.163 0.502 2.652 1.00 0.00 H +ATOM 114 HZ2 TRP A 6 4.818 0.270 2.567 1.00 0.00 H +ATOM 115 HZ3 TRP A 6 1.113 0.309 4.774 1.00 0.00 H +ATOM 116 HH2 TRP A 6 3.594 0.239 4.756 1.00 0.00 H +ATOM 117 N LEU A 7 -1.538 -1.844 0.927 1.00 0.00 N +ATOM 118 CA LEU A 7 -1.586 -2.971 1.862 1.00 0.00 C +ATOM 119 C LEU A 7 -1.803 -4.308 1.137 1.00 0.00 C +ATOM 120 O LEU A 7 -1.174 -5.298 1.515 1.00 0.00 O +ATOM 121 CB LEU A 7 -2.666 -2.743 2.930 1.00 0.00 C +ATOM 122 CG LEU A 7 -2.317 -1.692 4.002 1.00 0.00 C +ATOM 123 CD1 LEU A 7 -3.510 -1.571 4.957 1.00 0.00 C +ATOM 124 CD2 LEU A 7 -1.074 -2.069 4.817 1.00 0.00 C +ATOM 125 H LEU A 7 -2.228 -1.098 1.006 1.00 0.00 H +ATOM 126 HA LEU A 7 -0.615 -3.051 2.349 1.00 0.00 H +ATOM 127 HB2 LEU A 7 -3.562 -2.425 2.433 1.00 0.00 H +ATOM 128 HB3 LEU A 7 -2.847 -3.693 3.438 1.00 0.00 H +ATOM 129 HG LEU A 7 -2.144 -0.726 3.537 1.00 0.00 H +ATOM 130 HD11 LEU A 7 -4.393 -1.251 4.403 1.00 0.00 H +ATOM 131 HD12 LEU A 7 -3.709 -2.532 5.432 1.00 0.00 H +ATOM 132 HD13 LEU A 7 -3.298 -0.838 5.731 1.00 0.00 H +ATOM 133 HD21 LEU A 7 -1.167 -3.087 5.199 1.00 0.00 H +ATOM 134 HD22 LEU A 7 -0.183 -1.995 4.196 1.00 0.00 H +ATOM 135 HD23 LEU A 7 -0.956 -1.382 5.655 1.00 0.00 H +ATOM 136 N LYS A 8 -2.624 -4.342 0.073 1.00 0.00 N +ATOM 137 CA LYS A 8 -2.837 -5.530 -0.770 1.00 0.00 C +ATOM 138 C LYS A 8 -1.539 -6.072 -1.384 1.00 0.00 C +ATOM 139 O LYS A 8 -1.398 -7.286 -1.490 1.00 0.00 O +ATOM 140 CB LYS A 8 -3.851 -5.224 -1.892 1.00 0.00 C +ATOM 141 CG LYS A 8 -4.867 -6.357 -2.133 1.00 0.00 C +ATOM 142 CD LYS A 8 -6.241 -6.033 -1.528 1.00 0.00 C +ATOM 143 CE LYS A 8 -6.193 -5.982 0.004 1.00 0.00 C +ATOM 144 NZ LYS A 8 -7.398 -5.322 0.557 1.00 0.00 N +ATOM 145 H LYS A 8 -3.095 -3.479 -0.180 1.00 0.00 H +ATOM 146 HA LYS A 8 -3.224 -6.323 -0.132 1.00 0.00 H +ATOM 147 HB2 LYS A 8 -4.391 -4.335 -1.628 1.00 0.00 H +ATOM 148 HB3 LYS A 8 -3.307 -5.048 -2.822 1.00 0.00 H +ATOM 149 HG2 LYS A 8 -4.979 -6.503 -3.190 1.00 0.00 H +ATOM 150 HG3 LYS A 8 -4.495 -7.304 -1.740 1.00 0.00 H +ATOM 151 HD2 LYS A 8 -6.567 -5.079 -1.897 1.00 0.00 H +ATOM 152 HD3 LYS A 8 -6.954 -6.797 -1.840 1.00 0.00 H +ATOM 153 HE2 LYS A 8 -6.136 -6.983 0.386 1.00 0.00 H +ATOM 154 HE3 LYS A 8 -5.303 -5.427 0.313 1.00 0.00 H +ATOM 155 HZ1 LYS A 8 -7.411 -4.352 0.270 1.00 0.00 H +ATOM 156 HZ2 LYS A 8 -8.235 -5.778 0.219 1.00 0.00 H +ATOM 157 HZ3 LYS A 8 -7.387 -5.360 1.567 1.00 0.00 H +ATOM 158 N ASP A 9 -0.586 -5.196 -1.733 1.00 0.00 N +ATOM 159 CA ASP A 9 0.742 -5.596 -2.224 1.00 0.00 C +ATOM 160 C ASP A 9 1.596 -6.294 -1.144 1.00 0.00 C +ATOM 161 O ASP A 9 2.602 -6.919 -1.489 1.00 0.00 O +ATOM 162 CB ASP A 9 1.544 -4.384 -2.750 1.00 0.00 C +ATOM 163 CG ASP A 9 0.978 -3.644 -3.968 1.00 0.00 C +ATOM 164 OD1 ASP A 9 0.247 -4.280 -4.760 1.00 0.00 O +ATOM 165 OD2 ASP A 9 1.381 -2.472 -4.162 1.00 0.00 O +ATOM 166 H ASP A 9 -0.811 -4.209 -1.663 1.00 0.00 H +ATOM 167 HA ASP A 9 0.611 -6.302 -3.046 1.00 0.00 H +ATOM 168 HB2 ASP A 9 1.620 -3.675 -1.948 1.00 0.00 H +ATOM 169 HB3 ASP A 9 2.528 -4.743 -3.048 1.00 0.00 H +ATOM 170 N GLY A 10 1.242 -6.171 0.145 1.00 0.00 N +ATOM 171 CA GLY A 10 2.030 -6.642 1.290 1.00 0.00 C +ATOM 172 C GLY A 10 2.603 -5.520 2.168 1.00 0.00 C +ATOM 173 O GLY A 10 3.419 -5.803 3.047 1.00 0.00 O +ATOM 174 H GLY A 10 0.348 -5.733 0.351 1.00 0.00 H +ATOM 175 HA2 GLY A 10 1.391 -7.260 1.920 1.00 0.00 H +ATOM 176 HA3 GLY A 10 2.859 -7.262 0.950 1.00 0.00 H +ATOM 177 N GLY A 11 2.213 -4.255 1.949 1.00 0.00 N +ATOM 178 CA GLY A 11 2.700 -3.121 2.734 1.00 0.00 C +ATOM 179 C GLY A 11 4.238 -3.008 2.707 1.00 0.00 C +ATOM 180 O GLY A 11 4.830 -3.106 1.626 1.00 0.00 O +ATOM 181 H GLY A 11 1.566 -4.066 1.192 1.00 0.00 H +ATOM 182 HA2 GLY A 11 2.278 -2.203 2.330 1.00 0.00 H +ATOM 183 HA3 GLY A 11 2.340 -3.242 3.755 1.00 0.00 H +ATOM 184 N PRO A 12 4.916 -2.815 3.863 1.00 0.00 N +ATOM 185 CA PRO A 12 6.378 -2.719 3.922 1.00 0.00 C +ATOM 186 C PRO A 12 7.104 -3.938 3.329 1.00 0.00 C +ATOM 187 O PRO A 12 8.203 -3.799 2.793 1.00 0.00 O +ATOM 188 CB PRO A 12 6.739 -2.555 5.405 1.00 0.00 C +ATOM 189 CG PRO A 12 5.447 -2.080 6.062 1.00 0.00 C +ATOM 190 CD PRO A 12 4.360 -2.729 5.208 1.00 0.00 C +ATOM 191 HA PRO A 12 6.689 -1.827 3.377 1.00 0.00 H +ATOM 192 HB2 PRO A 12 7.056 -3.491 5.824 1.00 0.00 H +ATOM 193 HB3 PRO A 12 7.544 -1.832 5.542 1.00 0.00 H +ATOM 194 HG2 PRO A 12 5.388 -2.415 7.080 1.00 0.00 H +ATOM 195 HG3 PRO A 12 5.375 -0.995 5.986 1.00 0.00 H +ATOM 196 HD2 PRO A 12 4.126 -3.708 5.580 1.00 0.00 H +ATOM 197 HD3 PRO A 12 3.453 -2.129 5.244 1.00 0.00 H +ATOM 198 N SER A 13 6.487 -5.126 3.383 1.00 0.00 N +ATOM 199 CA SER A 13 7.062 -6.391 2.910 1.00 0.00 C +ATOM 200 C SER A 13 7.106 -6.523 1.380 1.00 0.00 C +ATOM 201 O SER A 13 7.528 -7.564 0.882 1.00 0.00 O +ATOM 202 CB SER A 13 6.294 -7.570 3.525 1.00 0.00 C +ATOM 203 OG SER A 13 6.273 -7.463 4.938 1.00 0.00 O +ATOM 204 H SER A 13 5.554 -5.180 3.780 1.00 0.00 H +ATOM 205 HA SER A 13 8.093 -6.447 3.259 1.00 0.00 H +ATOM 206 HB2 SER A 13 5.287 -7.567 3.155 1.00 0.00 H +ATOM 207 HB3 SER A 13 6.781 -8.506 3.247 1.00 0.00 H +ATOM 208 HG SER A 13 7.175 -7.487 5.266 1.00 0.00 H +ATOM 209 N SER A 14 6.699 -5.485 0.633 1.00 0.00 N +ATOM 210 CA SER A 14 6.610 -5.482 -0.834 1.00 0.00 C +ATOM 211 C SER A 14 7.584 -4.502 -1.514 1.00 0.00 C +ATOM 212 O SER A 14 7.442 -4.206 -2.702 1.00 0.00 O +ATOM 213 CB SER A 14 5.155 -5.226 -1.232 1.00 0.00 C +ATOM 214 OG SER A 14 4.800 -6.039 -2.327 1.00 0.00 O +ATOM 215 H SER A 14 6.332 -4.681 1.131 1.00 0.00 H +ATOM 216 HA SER A 14 6.872 -6.476 -1.198 1.00 0.00 H +ATOM 217 HB2 SER A 14 4.515 -5.452 -0.401 1.00 0.00 H +ATOM 218 HB3 SER A 14 4.998 -4.181 -1.482 1.00 0.00 H +ATOM 219 HG SER A 14 3.937 -6.470 -2.076 1.00 0.00 H +ATOM 220 N GLY A 15 8.565 -3.977 -0.761 1.00 0.00 N +ATOM 221 CA GLY A 15 9.672 -3.163 -1.282 1.00 0.00 C +ATOM 222 C GLY A 15 9.268 -1.785 -1.820 1.00 0.00 C +ATOM 223 O GLY A 15 9.964 -1.240 -2.674 1.00 0.00 O +ATOM 224 H GLY A 15 8.599 -4.262 0.210 1.00 0.00 H +ATOM 225 HA2 GLY A 15 10.403 -3.009 -0.487 1.00 0.00 H +ATOM 226 HA3 GLY A 15 10.168 -3.709 -2.087 1.00 0.00 H +ATOM 227 N ARG A 16 8.140 -1.233 -1.349 1.00 0.00 N +ATOM 228 CA ARG A 16 7.498 -0.025 -1.884 1.00 0.00 C +ATOM 229 C ARG A 16 6.929 0.860 -0.758 1.00 0.00 C +ATOM 230 O ARG A 16 6.271 0.329 0.139 1.00 0.00 O +ATOM 231 CB ARG A 16 6.407 -0.441 -2.895 1.00 0.00 C +ATOM 232 CG ARG A 16 5.361 -1.404 -2.301 1.00 0.00 C +ATOM 233 CD ARG A 16 4.279 -1.827 -3.291 1.00 0.00 C +ATOM 234 NE ARG A 16 4.779 -2.819 -4.260 1.00 0.00 N +ATOM 235 CZ ARG A 16 4.349 -2.952 -5.509 1.00 0.00 C +ATOM 236 NH1 ARG A 16 3.327 -2.269 -5.969 1.00 0.00 N +ATOM 237 NH2 ARG A 16 4.939 -3.800 -6.319 1.00 0.00 N +ATOM 238 H ARG A 16 7.655 -1.742 -0.622 1.00 0.00 H +ATOM 239 HA ARG A 16 8.255 0.540 -2.429 1.00 0.00 H +ATOM 240 HB2 ARG A 16 5.902 0.443 -3.234 1.00 0.00 H +ATOM 241 HB3 ARG A 16 6.890 -0.927 -3.745 1.00 0.00 H +ATOM 242 HG2 ARG A 16 5.869 -2.285 -1.958 1.00 0.00 H +ATOM 243 HG3 ARG A 16 4.860 -0.926 -1.472 1.00 0.00 H +ATOM 244 HD2 ARG A 16 3.459 -2.256 -2.747 1.00 0.00 H +ATOM 245 HD3 ARG A 16 3.903 -0.939 -3.800 1.00 0.00 H +ATOM 246 HE ARG A 16 5.524 -3.428 -3.947 1.00 0.00 H +ATOM 247 HH11 ARG A 16 2.617 -2.056 -5.244 1.00 0.00 H +ATOM 248 HH12 ARG A 16 3.019 -2.337 -6.918 1.00 0.00 H +ATOM 249 HH21 ARG A 16 5.659 -4.401 -5.958 1.00 0.00 H +ATOM 250 HH22 ARG A 16 4.587 -3.922 -7.250 1.00 0.00 H +ATOM 251 N PRO A 17 7.128 2.192 -0.787 1.00 0.00 N +ATOM 252 CA PRO A 17 6.585 3.097 0.228 1.00 0.00 C +ATOM 253 C PRO A 17 5.060 3.276 0.076 1.00 0.00 C +ATOM 254 O PRO A 17 4.523 3.016 -1.003 1.00 0.00 O +ATOM 255 CB PRO A 17 7.327 4.419 0.005 1.00 0.00 C +ATOM 256 CG PRO A 17 7.594 4.418 -1.499 1.00 0.00 C +ATOM 257 CD PRO A 17 7.848 2.945 -1.807 1.00 0.00 C +ATOM 258 HA PRO A 17 6.811 2.711 1.221 1.00 0.00 H +ATOM 259 HB2 PRO A 17 6.717 5.255 0.287 1.00 0.00 H +ATOM 260 HB3 PRO A 17 8.275 4.397 0.543 1.00 0.00 H +ATOM 261 HG2 PRO A 17 6.743 4.783 -2.041 1.00 0.00 H +ATOM 262 HG3 PRO A 17 8.452 5.039 -1.758 1.00 0.00 H +ATOM 263 HD2 PRO A 17 7.478 2.699 -2.783 1.00 0.00 H +ATOM 264 HD3 PRO A 17 8.915 2.731 -1.732 1.00 0.00 H +ATOM 265 N PRO A 18 4.352 3.730 1.131 1.00 0.00 N +ATOM 266 CA PRO A 18 2.910 3.955 1.082 1.00 0.00 C +ATOM 267 C PRO A 18 2.524 5.163 0.203 1.00 0.00 C +ATOM 268 O PRO A 18 3.330 6.074 0.016 1.00 0.00 O +ATOM 269 CB PRO A 18 2.481 4.156 2.540 1.00 0.00 C +ATOM 270 CG PRO A 18 3.734 4.715 3.207 1.00 0.00 C +ATOM 271 CD PRO A 18 4.864 4.002 2.467 1.00 0.00 C +ATOM 272 HA PRO A 18 2.431 3.060 0.690 1.00 0.00 H +ATOM 273 HB2 PRO A 18 1.667 4.852 2.608 1.00 0.00 H +ATOM 274 HB3 PRO A 18 2.235 3.190 2.981 1.00 0.00 H +ATOM 275 HG2 PRO A 18 3.798 5.778 3.077 1.00 0.00 H +ATOM 276 HG3 PRO A 18 3.753 4.504 4.277 1.00 0.00 H +ATOM 277 HD2 PRO A 18 5.732 4.631 2.414 1.00 0.00 H +ATOM 278 HD3 PRO A 18 5.090 3.058 2.966 1.00 0.00 H +ATOM 279 N PRO A 19 1.275 5.206 -0.306 1.00 0.00 N +ATOM 280 CA PRO A 19 0.771 6.284 -1.164 1.00 0.00 C +ATOM 281 C PRO A 19 0.330 7.537 -0.389 1.00 0.00 C +ATOM 282 O PRO A 19 0.160 8.598 -0.988 1.00 0.00 O +ATOM 283 CB PRO A 19 -0.429 5.664 -1.889 1.00 0.00 C +ATOM 284 CG PRO A 19 -0.979 4.669 -0.864 1.00 0.00 C +ATOM 285 CD PRO A 19 0.284 4.149 -0.189 1.00 0.00 C +ATOM 286 HA PRO A 19 1.528 6.574 -1.894 1.00 0.00 H +ATOM 287 HB2 PRO A 19 -1.160 6.411 -2.131 1.00 0.00 H +ATOM 288 HB3 PRO A 19 -0.083 5.121 -2.771 1.00 0.00 H +ATOM 289 HG2 PRO A 19 -1.622 5.157 -0.157 1.00 0.00 H +ATOM 290 HG3 PRO A 19 -1.531 3.860 -1.339 1.00 0.00 H +ATOM 291 HD2 PRO A 19 0.091 3.933 0.844 1.00 0.00 H +ATOM 292 HD3 PRO A 19 0.650 3.279 -0.729 1.00 0.00 H +ATOM 293 N SER A 20 0.116 7.403 0.925 1.00 0.00 N +ATOM 294 CA SER A 20 -0.336 8.429 1.868 1.00 0.00 C +ATOM 295 C SER A 20 0.288 8.158 3.235 1.00 0.00 C +ATOM 296 O SER A 20 1.091 8.990 3.697 1.00 0.00 O +ATOM 297 CB SER A 20 -1.868 8.401 1.974 1.00 0.00 C +ATOM 298 OG SER A 20 -2.214 7.177 2.590 1.00 0.00 O +ATOM 299 OXT SER A 20 -0.112 7.093 3.776 1.00 0.00 O +ATOM 300 H SER A 20 0.272 6.489 1.323 1.00 0.00 H +ATOM 301 HA SER A 20 -0.007 9.414 1.535 1.00 0.00 H +ATOM 302 HB2 SER A 20 -2.212 9.224 2.570 1.00 0.00 H +ATOM 303 HB3 SER A 20 -2.324 8.479 0.986 1.00 0.00 H +ATOM 304 HG SER A 20 -1.394 7.015 3.184 1.00 0.00 H +TER 305 SER A 20 +ENDMDL +MODEL 28 +ATOM 1 N ASN A 1 -4.637 8.314 0.281 1.00 0.00 N +ATOM 2 CA ASN A 1 -5.414 7.451 -0.654 1.00 0.00 C +ATOM 3 C ASN A 1 -4.552 6.258 -1.103 1.00 0.00 C +ATOM 4 O ASN A 1 -3.410 6.182 -0.671 1.00 0.00 O +ATOM 5 CB ASN A 1 -5.986 8.274 -1.830 1.00 0.00 C +ATOM 6 CG ASN A 1 -7.060 7.510 -2.606 1.00 0.00 C +ATOM 7 OD1 ASN A 1 -7.598 6.525 -2.122 1.00 0.00 O +ATOM 8 ND2 ASN A 1 -7.361 7.888 -3.833 1.00 0.00 N +ATOM 9 H1 ASN A 1 -4.274 7.750 1.038 1.00 0.00 H +ATOM 10 H2 ASN A 1 -3.845 8.730 -0.193 1.00 0.00 H +ATOM 11 H3 ASN A 1 -5.220 9.048 0.659 1.00 0.00 H +ATOM 12 HA ASN A 1 -6.264 7.034 -0.107 1.00 0.00 H +ATOM 13 HB2 ASN A 1 -6.417 9.177 -1.442 1.00 0.00 H +ATOM 14 HB3 ASN A 1 -5.178 8.555 -2.505 1.00 0.00 H +ATOM 15 HD21 ASN A 1 -6.930 8.673 -4.294 1.00 0.00 H +ATOM 16 HD22 ASN A 1 -8.069 7.331 -4.288 1.00 0.00 H +ATOM 17 N LEU A 2 -5.081 5.309 -1.895 1.00 0.00 N +ATOM 18 CA LEU A 2 -4.421 4.095 -2.428 1.00 0.00 C +ATOM 19 C LEU A 2 -3.907 3.086 -1.373 1.00 0.00 C +ATOM 20 O LEU A 2 -3.438 2.004 -1.727 1.00 0.00 O +ATOM 21 CB LEU A 2 -3.323 4.462 -3.461 1.00 0.00 C +ATOM 22 CG LEU A 2 -3.852 4.852 -4.858 1.00 0.00 C +ATOM 23 CD1 LEU A 2 -4.240 6.330 -4.955 1.00 0.00 C +ATOM 24 CD2 LEU A 2 -2.790 4.587 -5.929 1.00 0.00 C +ATOM 25 H LEU A 2 -6.060 5.437 -2.149 1.00 0.00 H +ATOM 26 HA LEU A 2 -5.183 3.538 -2.975 1.00 0.00 H +ATOM 27 HB2 LEU A 2 -2.763 5.291 -3.073 1.00 0.00 H +ATOM 28 HB3 LEU A 2 -2.689 3.583 -3.592 1.00 0.00 H +ATOM 29 HG LEU A 2 -4.724 4.242 -5.093 1.00 0.00 H +ATOM 30 HD11 LEU A 2 -5.010 6.557 -4.229 1.00 0.00 H +ATOM 31 HD12 LEU A 2 -3.370 6.961 -4.774 1.00 0.00 H +ATOM 32 HD13 LEU A 2 -4.633 6.540 -5.950 1.00 0.00 H +ATOM 33 HD21 LEU A 2 -1.903 5.190 -5.739 1.00 0.00 H +ATOM 34 HD22 LEU A 2 -2.517 3.530 -5.926 1.00 0.00 H +ATOM 35 HD23 LEU A 2 -3.189 4.833 -6.912 1.00 0.00 H +ATOM 36 N TYR A 3 -4.044 3.394 -0.080 1.00 0.00 N +ATOM 37 CA TYR A 3 -3.489 2.632 1.037 1.00 0.00 C +ATOM 38 C TYR A 3 -3.961 1.172 1.078 1.00 0.00 C +ATOM 39 O TYR A 3 -3.161 0.277 1.338 1.00 0.00 O +ATOM 40 CB TYR A 3 -3.815 3.362 2.349 1.00 0.00 C +ATOM 41 CG TYR A 3 -2.670 3.331 3.335 1.00 0.00 C +ATOM 42 CD1 TYR A 3 -2.480 2.213 4.167 1.00 0.00 C +ATOM 43 CD2 TYR A 3 -1.776 4.416 3.400 1.00 0.00 C +ATOM 44 CE1 TYR A 3 -1.407 2.188 5.077 1.00 0.00 C +ATOM 45 CE2 TYR A 3 -0.707 4.403 4.312 1.00 0.00 C +ATOM 46 CZ TYR A 3 -0.523 3.285 5.158 1.00 0.00 C +ATOM 47 OH TYR A 3 0.472 3.267 6.085 1.00 0.00 O +ATOM 48 H TYR A 3 -4.369 4.327 0.113 1.00 0.00 H +ATOM 49 HA TYR A 3 -2.405 2.622 0.917 1.00 0.00 H +ATOM 50 HB2 TYR A 3 -4.046 4.385 2.124 1.00 0.00 H +ATOM 51 HB3 TYR A 3 -4.703 2.925 2.808 1.00 0.00 H +ATOM 52 HD1 TYR A 3 -3.164 1.380 4.111 1.00 0.00 H +ATOM 53 HD2 TYR A 3 -1.914 5.270 2.750 1.00 0.00 H +ATOM 54 HE1 TYR A 3 -1.257 1.345 5.732 1.00 0.00 H +ATOM 55 HE2 TYR A 3 -0.031 5.245 4.351 1.00 0.00 H +ATOM 56 HH TYR A 3 0.616 4.135 6.463 1.00 0.00 H +ATOM 57 N ILE A 4 -5.240 0.915 0.764 1.00 0.00 N +ATOM 58 CA ILE A 4 -5.800 -0.440 0.662 1.00 0.00 C +ATOM 59 C ILE A 4 -5.054 -1.256 -0.409 1.00 0.00 C +ATOM 60 O ILE A 4 -4.725 -2.421 -0.194 1.00 0.00 O +ATOM 61 CB ILE A 4 -7.321 -0.381 0.365 1.00 0.00 C +ATOM 62 CG1 ILE A 4 -8.099 0.508 1.368 1.00 0.00 C +ATOM 63 CG2 ILE A 4 -7.932 -1.793 0.371 1.00 0.00 C +ATOM 64 CD1 ILE A 4 -8.620 1.792 0.710 1.00 0.00 C +ATOM 65 H ILE A 4 -5.837 1.705 0.575 1.00 0.00 H +ATOM 66 HA ILE A 4 -5.656 -0.946 1.618 1.00 0.00 H +ATOM 67 HB ILE A 4 -7.455 0.022 -0.641 1.00 0.00 H +ATOM 68 HG12 ILE A 4 -8.933 -0.049 1.751 1.00 0.00 H +ATOM 69 HG13 ILE A 4 -7.469 0.772 2.219 1.00 0.00 H +ATOM 70 HG21 ILE A 4 -7.495 -2.396 -0.421 1.00 0.00 H +ATOM 71 HG22 ILE A 4 -7.751 -2.278 1.331 1.00 0.00 H +ATOM 72 HG23 ILE A 4 -9.007 -1.735 0.196 1.00 0.00 H +ATOM 73 HD11 ILE A 4 -7.790 2.390 0.335 1.00 0.00 H +ATOM 74 HD12 ILE A 4 -9.288 1.538 -0.114 1.00 0.00 H +ATOM 75 HD13 ILE A 4 -9.178 2.375 1.445 1.00 0.00 H +ATOM 76 N GLN A 5 -4.758 -0.632 -1.557 1.00 0.00 N +ATOM 77 CA GLN A 5 -4.009 -1.246 -2.650 1.00 0.00 C +ATOM 78 C GLN A 5 -2.556 -1.532 -2.257 1.00 0.00 C +ATOM 79 O GLN A 5 -2.056 -2.621 -2.522 1.00 0.00 O +ATOM 80 CB GLN A 5 -4.126 -0.385 -3.921 1.00 0.00 C +ATOM 81 CG GLN A 5 -4.525 -1.255 -5.121 1.00 0.00 C +ATOM 82 CD GLN A 5 -4.816 -0.407 -6.354 1.00 0.00 C +ATOM 83 OE1 GLN A 5 -5.867 0.201 -6.470 1.00 0.00 O +ATOM 84 NE2 GLN A 5 -3.916 -0.347 -7.314 1.00 0.00 N +ATOM 85 H GLN A 5 -4.955 0.358 -1.625 1.00 0.00 H +ATOM 86 HA GLN A 5 -4.460 -2.209 -2.849 1.00 0.00 H +ATOM 87 HB2 GLN A 5 -4.872 0.371 -3.769 1.00 0.00 H +ATOM 88 HB3 GLN A 5 -3.180 0.117 -4.130 1.00 0.00 H +ATOM 89 HG2 GLN A 5 -3.722 -1.931 -5.344 1.00 0.00 H +ATOM 90 HG3 GLN A 5 -5.434 -1.805 -4.876 1.00 0.00 H +ATOM 91 HE21 GLN A 5 -3.043 -0.844 -7.271 1.00 0.00 H +ATOM 92 HE22 GLN A 5 -4.190 0.218 -8.099 1.00 0.00 H +ATOM 93 N TRP A 6 -1.905 -0.591 -1.563 1.00 0.00 N +ATOM 94 CA TRP A 6 -0.573 -0.794 -0.989 1.00 0.00 C +ATOM 95 C TRP A 6 -0.539 -1.937 0.047 1.00 0.00 C +ATOM 96 O TRP A 6 0.365 -2.772 0.016 1.00 0.00 O +ATOM 97 CB TRP A 6 -0.090 0.537 -0.404 1.00 0.00 C +ATOM 98 CG TRP A 6 1.273 0.496 0.209 1.00 0.00 C +ATOM 99 CD1 TRP A 6 2.441 0.483 -0.473 1.00 0.00 C +ATOM 100 CD2 TRP A 6 1.630 0.425 1.623 1.00 0.00 C +ATOM 101 NE1 TRP A 6 3.492 0.396 0.418 1.00 0.00 N +ATOM 102 CE2 TRP A 6 3.053 0.371 1.722 1.00 0.00 C +ATOM 103 CE3 TRP A 6 0.899 0.398 2.830 1.00 0.00 C +ATOM 104 CZ2 TRP A 6 3.719 0.302 2.954 1.00 0.00 C +ATOM 105 CZ3 TRP A 6 1.557 0.314 4.072 1.00 0.00 C +ATOM 106 CH2 TRP A 6 2.961 0.267 4.137 1.00 0.00 C +ATOM 107 H TRP A 6 -2.385 0.292 -1.412 1.00 0.00 H +ATOM 108 HA TRP A 6 0.108 -1.080 -1.790 1.00 0.00 H +ATOM 109 HB2 TRP A 6 -0.079 1.264 -1.193 1.00 0.00 H +ATOM 110 HB3 TRP A 6 -0.793 0.874 0.356 1.00 0.00 H +ATOM 111 HD1 TRP A 6 2.536 0.516 -1.550 1.00 0.00 H +ATOM 112 HE1 TRP A 6 4.475 0.350 0.133 1.00 0.00 H +ATOM 113 HE3 TRP A 6 -0.179 0.447 2.791 1.00 0.00 H +ATOM 114 HZ2 TRP A 6 4.797 0.257 2.979 1.00 0.00 H +ATOM 115 HZ3 TRP A 6 0.979 0.296 4.987 1.00 0.00 H +ATOM 116 HH2 TRP A 6 3.455 0.210 5.097 1.00 0.00 H +ATOM 117 N LEU A 7 -1.539 -2.023 0.936 1.00 0.00 N +ATOM 118 CA LEU A 7 -1.647 -3.114 1.911 1.00 0.00 C +ATOM 119 C LEU A 7 -1.880 -4.491 1.263 1.00 0.00 C +ATOM 120 O LEU A 7 -1.299 -5.464 1.739 1.00 0.00 O +ATOM 121 CB LEU A 7 -2.744 -2.801 2.945 1.00 0.00 C +ATOM 122 CG LEU A 7 -2.387 -1.679 3.942 1.00 0.00 C +ATOM 123 CD1 LEU A 7 -3.618 -1.346 4.787 1.00 0.00 C +ATOM 124 CD2 LEU A 7 -1.248 -2.065 4.893 1.00 0.00 C +ATOM 125 H LEU A 7 -2.229 -1.275 0.955 1.00 0.00 H +ATOM 126 HA LEU A 7 -0.693 -3.194 2.432 1.00 0.00 H +ATOM 127 HB2 LEU A 7 -3.630 -2.508 2.415 1.00 0.00 H +ATOM 128 HB3 LEU A 7 -2.953 -3.706 3.517 1.00 0.00 H +ATOM 129 HG LEU A 7 -2.088 -0.784 3.401 1.00 0.00 H +ATOM 130 HD11 LEU A 7 -4.425 -0.996 4.140 1.00 0.00 H +ATOM 131 HD12 LEU A 7 -3.951 -2.230 5.330 1.00 0.00 H +ATOM 132 HD13 LEU A 7 -3.378 -0.561 5.504 1.00 0.00 H +ATOM 133 HD21 LEU A 7 -1.499 -2.980 5.429 1.00 0.00 H +ATOM 134 HD22 LEU A 7 -0.325 -2.214 4.336 1.00 0.00 H +ATOM 135 HD23 LEU A 7 -1.082 -1.265 5.612 1.00 0.00 H +ATOM 136 N LYS A 8 -2.664 -4.593 0.174 1.00 0.00 N +ATOM 137 CA LYS A 8 -2.892 -5.859 -0.562 1.00 0.00 C +ATOM 138 C LYS A 8 -1.591 -6.528 -1.022 1.00 0.00 C +ATOM 139 O LYS A 8 -1.477 -7.746 -0.936 1.00 0.00 O +ATOM 140 CB LYS A 8 -3.818 -5.628 -1.769 1.00 0.00 C +ATOM 141 CG LYS A 8 -5.295 -5.486 -1.357 1.00 0.00 C +ATOM 142 CD LYS A 8 -6.116 -4.646 -2.351 1.00 0.00 C +ATOM 143 CE LYS A 8 -6.882 -5.452 -3.401 1.00 0.00 C +ATOM 144 NZ LYS A 8 -7.477 -4.544 -4.411 1.00 0.00 N +ATOM 145 H LYS A 8 -3.145 -3.750 -0.132 1.00 0.00 H +ATOM 146 HA LYS A 8 -3.367 -6.574 0.111 1.00 0.00 H +ATOM 147 HB2 LYS A 8 -3.512 -4.730 -2.271 1.00 0.00 H +ATOM 148 HB3 LYS A 8 -3.736 -6.467 -2.462 1.00 0.00 H +ATOM 149 HG2 LYS A 8 -5.729 -6.465 -1.296 1.00 0.00 H +ATOM 150 HG3 LYS A 8 -5.344 -4.993 -0.387 1.00 0.00 H +ATOM 151 HD2 LYS A 8 -6.826 -4.068 -1.791 1.00 0.00 H +ATOM 152 HD3 LYS A 8 -5.454 -3.961 -2.867 1.00 0.00 H +ATOM 153 HE2 LYS A 8 -6.208 -6.131 -3.888 1.00 0.00 H +ATOM 154 HE3 LYS A 8 -7.667 -6.022 -2.896 1.00 0.00 H +ATOM 155 HZ1 LYS A 8 -8.054 -3.846 -3.961 1.00 0.00 H +ATOM 156 HZ2 LYS A 8 -6.746 -4.071 -4.926 1.00 0.00 H +ATOM 157 HZ3 LYS A 8 -8.047 -5.062 -5.068 1.00 0.00 H +ATOM 158 N ASP A 9 -0.606 -5.739 -1.457 1.00 0.00 N +ATOM 159 CA ASP A 9 0.739 -6.198 -1.825 1.00 0.00 C +ATOM 160 C ASP A 9 1.651 -6.499 -0.611 1.00 0.00 C +ATOM 161 O ASP A 9 2.838 -6.780 -0.797 1.00 0.00 O +ATOM 162 CB ASP A 9 1.370 -5.155 -2.771 1.00 0.00 C +ATOM 163 CG ASP A 9 1.177 -5.531 -4.240 1.00 0.00 C +ATOM 164 OD1 ASP A 9 0.135 -5.136 -4.811 1.00 0.00 O +ATOM 165 OD2 ASP A 9 2.077 -6.215 -4.775 1.00 0.00 O +ATOM 166 H ASP A 9 -0.801 -4.748 -1.533 1.00 0.00 H +ATOM 167 HA ASP A 9 0.652 -7.136 -2.376 1.00 0.00 H +ATOM 168 HB2 ASP A 9 0.911 -4.202 -2.593 1.00 0.00 H +ATOM 169 HB3 ASP A 9 2.441 -5.088 -2.597 1.00 0.00 H +ATOM 170 N GLY A 10 1.167 -6.398 0.637 1.00 0.00 N +ATOM 171 CA GLY A 10 1.944 -6.694 1.851 1.00 0.00 C +ATOM 172 C GLY A 10 2.520 -5.474 2.584 1.00 0.00 C +ATOM 173 O GLY A 10 3.356 -5.650 3.475 1.00 0.00 O +ATOM 174 H GLY A 10 0.189 -6.147 0.762 1.00 0.00 H +ATOM 175 HA2 GLY A 10 1.294 -7.220 2.549 1.00 0.00 H +ATOM 176 HA3 GLY A 10 2.770 -7.362 1.607 1.00 0.00 H +ATOM 177 N GLY A 11 2.100 -4.254 2.229 1.00 0.00 N +ATOM 178 CA GLY A 11 2.528 -2.992 2.832 1.00 0.00 C +ATOM 179 C GLY A 11 4.060 -2.837 2.922 1.00 0.00 C +ATOM 180 O GLY A 11 4.712 -2.686 1.888 1.00 0.00 O +ATOM 181 H GLY A 11 1.508 -4.184 1.407 1.00 0.00 H +ATOM 182 HA2 GLY A 11 2.150 -2.182 2.211 1.00 0.00 H +ATOM 183 HA3 GLY A 11 2.067 -2.896 3.812 1.00 0.00 H +ATOM 184 N PRO A 12 4.678 -2.872 4.125 1.00 0.00 N +ATOM 185 CA PRO A 12 6.137 -2.792 4.262 1.00 0.00 C +ATOM 186 C PRO A 12 6.903 -3.861 3.466 1.00 0.00 C +ATOM 187 O PRO A 12 8.043 -3.629 3.069 1.00 0.00 O +ATOM 188 CB PRO A 12 6.429 -2.936 5.761 1.00 0.00 C +ATOM 189 CG PRO A 12 5.120 -2.531 6.433 1.00 0.00 C +ATOM 190 CD PRO A 12 4.058 -2.991 5.436 1.00 0.00 C +ATOM 191 HA PRO A 12 6.463 -1.808 3.926 1.00 0.00 H +ATOM 192 HB2 PRO A 12 6.685 -3.949 6.004 1.00 0.00 H +ATOM 193 HB3 PRO A 12 7.254 -2.292 6.069 1.00 0.00 H +ATOM 194 HG2 PRO A 12 5.002 -3.028 7.377 1.00 0.00 H +ATOM 195 HG3 PRO A 12 5.080 -1.447 6.534 1.00 0.00 H +ATOM 196 HD2 PRO A 12 3.779 -4.009 5.628 1.00 0.00 H +ATOM 197 HD3 PRO A 12 3.172 -2.363 5.530 1.00 0.00 H +ATOM 198 N SER A 13 6.278 -5.017 3.209 1.00 0.00 N +ATOM 199 CA SER A 13 6.884 -6.142 2.489 1.00 0.00 C +ATOM 200 C SER A 13 6.737 -6.043 0.960 1.00 0.00 C +ATOM 201 O SER A 13 7.147 -6.960 0.254 1.00 0.00 O +ATOM 202 CB SER A 13 6.306 -7.461 3.021 1.00 0.00 C +ATOM 203 OG SER A 13 6.621 -7.599 4.395 1.00 0.00 O +ATOM 204 H SER A 13 5.320 -5.131 3.531 1.00 0.00 H +ATOM 205 HA SER A 13 7.953 -6.155 2.698 1.00 0.00 H +ATOM 206 HB2 SER A 13 5.240 -7.459 2.898 1.00 0.00 H +ATOM 207 HB3 SER A 13 6.742 -8.301 2.479 1.00 0.00 H +ATOM 208 HG SER A 13 5.808 -7.714 4.892 1.00 0.00 H +ATOM 209 N SER A 14 6.176 -4.942 0.434 1.00 0.00 N +ATOM 210 CA SER A 14 5.884 -4.748 -0.996 1.00 0.00 C +ATOM 211 C SER A 14 7.004 -4.076 -1.802 1.00 0.00 C +ATOM 212 O SER A 14 6.860 -3.890 -3.006 1.00 0.00 O +ATOM 213 CB SER A 14 4.636 -3.874 -1.140 1.00 0.00 C +ATOM 214 OG SER A 14 3.598 -4.383 -0.343 1.00 0.00 O +ATOM 215 H SER A 14 5.795 -4.245 1.069 1.00 0.00 H +ATOM 216 HA SER A 14 5.675 -5.716 -1.456 1.00 0.00 H +ATOM 217 HB2 SER A 14 4.865 -2.873 -0.828 1.00 0.00 H +ATOM 218 HB3 SER A 14 4.320 -3.854 -2.182 1.00 0.00 H +ATOM 219 HG SER A 14 3.437 -5.331 -0.578 1.00 0.00 H +ATOM 220 N GLY A 15 8.091 -3.636 -1.156 1.00 0.00 N +ATOM 221 CA GLY A 15 9.222 -2.961 -1.807 1.00 0.00 C +ATOM 222 C GLY A 15 8.979 -1.499 -2.225 1.00 0.00 C +ATOM 223 O GLY A 15 9.937 -0.811 -2.570 1.00 0.00 O +ATOM 224 H GLY A 15 8.136 -3.819 -0.163 1.00 0.00 H +ATOM 225 HA2 GLY A 15 10.080 -2.981 -1.136 1.00 0.00 H +ATOM 226 HA3 GLY A 15 9.494 -3.517 -2.706 1.00 0.00 H +ATOM 227 N ARG A 16 7.733 -1.005 -2.166 1.00 0.00 N +ATOM 228 CA ARG A 16 7.340 0.378 -2.469 1.00 0.00 C +ATOM 229 C ARG A 16 6.864 1.090 -1.189 1.00 0.00 C +ATOM 230 O ARG A 16 6.138 0.469 -0.408 1.00 0.00 O +ATOM 231 CB ARG A 16 6.242 0.351 -3.552 1.00 0.00 C +ATOM 232 CG ARG A 16 5.909 1.749 -4.102 1.00 0.00 C +ATOM 233 CD ARG A 16 4.828 1.696 -5.186 1.00 0.00 C +ATOM 234 NE ARG A 16 4.677 3.011 -5.838 1.00 0.00 N +ATOM 235 CZ ARG A 16 4.080 3.264 -6.997 1.00 0.00 C +ATOM 236 NH1 ARG A 16 3.453 2.326 -7.670 1.00 0.00 N +ATOM 237 NH2 ARG A 16 4.108 4.474 -7.504 1.00 0.00 N +ATOM 238 H ARG A 16 7.011 -1.654 -1.889 1.00 0.00 H +ATOM 239 HA ARG A 16 8.211 0.896 -2.870 1.00 0.00 H +ATOM 240 HB2 ARG A 16 6.577 -0.266 -4.364 1.00 0.00 H +ATOM 241 HB3 ARG A 16 5.337 -0.100 -3.141 1.00 0.00 H +ATOM 242 HG2 ARG A 16 5.561 2.365 -3.295 1.00 0.00 H +ATOM 243 HG3 ARG A 16 6.814 2.176 -4.534 1.00 0.00 H +ATOM 244 HD2 ARG A 16 5.104 0.967 -5.923 1.00 0.00 H +ATOM 245 HD3 ARG A 16 3.881 1.398 -4.732 1.00 0.00 H +ATOM 246 HE ARG A 16 5.099 3.795 -5.368 1.00 0.00 H +ATOM 247 HH11 ARG A 16 3.423 1.404 -7.274 1.00 0.00 H +ATOM 248 HH12 ARG A 16 3.006 2.520 -8.548 1.00 0.00 H +ATOM 249 HH21 ARG A 16 4.586 5.218 -7.026 1.00 0.00 H +ATOM 250 HH22 ARG A 16 3.669 4.656 -8.390 1.00 0.00 H +ATOM 251 N PRO A 17 7.209 2.375 -0.963 1.00 0.00 N +ATOM 252 CA PRO A 17 6.738 3.134 0.201 1.00 0.00 C +ATOM 253 C PRO A 17 5.208 3.346 0.203 1.00 0.00 C +ATOM 254 O PRO A 17 4.576 3.259 -0.855 1.00 0.00 O +ATOM 255 CB PRO A 17 7.490 4.471 0.149 1.00 0.00 C +ATOM 256 CG PRO A 17 7.846 4.634 -1.326 1.00 0.00 C +ATOM 257 CD PRO A 17 8.110 3.196 -1.761 1.00 0.00 C +ATOM 258 HA PRO A 17 7.021 2.596 1.106 1.00 0.00 H +ATOM 259 HB2 PRO A 17 6.862 5.275 0.482 1.00 0.00 H +ATOM 260 HB3 PRO A 17 8.407 4.394 0.736 1.00 0.00 H +ATOM 261 HG2 PRO A 17 7.031 5.063 -1.877 1.00 0.00 H +ATOM 262 HG3 PRO A 17 8.720 5.268 -1.469 1.00 0.00 H +ATOM 263 HD2 PRO A 17 7.900 3.076 -2.806 1.00 0.00 H +ATOM 264 HD3 PRO A 17 9.141 2.925 -1.531 1.00 0.00 H +ATOM 265 N PRO A 18 4.607 3.648 1.372 1.00 0.00 N +ATOM 266 CA PRO A 18 3.168 3.868 1.495 1.00 0.00 C +ATOM 267 C PRO A 18 2.728 5.176 0.813 1.00 0.00 C +ATOM 268 O PRO A 18 3.421 6.189 0.932 1.00 0.00 O +ATOM 269 CB PRO A 18 2.880 3.905 2.999 1.00 0.00 C +ATOM 270 CG PRO A 18 4.202 4.357 3.615 1.00 0.00 C +ATOM 271 CD PRO A 18 5.252 3.767 2.674 1.00 0.00 C +ATOM 272 HA PRO A 18 2.650 3.021 1.056 1.00 0.00 H +ATOM 273 HB2 PRO A 18 2.097 4.604 3.221 1.00 0.00 H +ATOM 274 HB3 PRO A 18 2.640 2.905 3.351 1.00 0.00 H +ATOM 275 HG2 PRO A 18 4.268 5.428 3.640 1.00 0.00 H +ATOM 276 HG3 PRO A 18 4.322 3.987 4.633 1.00 0.00 H +ATOM 277 HD2 PRO A 18 6.103 4.418 2.610 1.00 0.00 H +ATOM 278 HD3 PRO A 18 5.544 2.776 3.024 1.00 0.00 H +ATOM 279 N PRO A 19 1.566 5.189 0.135 1.00 0.00 N +ATOM 280 CA PRO A 19 0.986 6.406 -0.419 1.00 0.00 C +ATOM 281 C PRO A 19 0.340 7.243 0.694 1.00 0.00 C +ATOM 282 O PRO A 19 -0.310 6.698 1.588 1.00 0.00 O +ATOM 283 CB PRO A 19 -0.045 5.908 -1.435 1.00 0.00 C +ATOM 284 CG PRO A 19 -0.542 4.596 -0.823 1.00 0.00 C +ATOM 285 CD PRO A 19 0.688 4.050 -0.100 1.00 0.00 C +ATOM 286 HA PRO A 19 1.751 6.996 -0.927 1.00 0.00 H +ATOM 287 HB2 PRO A 19 -0.849 6.611 -1.542 1.00 0.00 H +ATOM 288 HB3 PRO A 19 0.455 5.698 -2.382 1.00 0.00 H +ATOM 289 HG2 PRO A 19 -1.344 4.774 -0.133 1.00 0.00 H +ATOM 290 HG3 PRO A 19 -0.898 3.904 -1.584 1.00 0.00 H +ATOM 291 HD2 PRO A 19 0.402 3.603 0.833 1.00 0.00 H +ATOM 292 HD3 PRO A 19 1.199 3.327 -0.734 1.00 0.00 H +ATOM 293 N SER A 20 0.480 8.571 0.624 1.00 0.00 N +ATOM 294 CA SER A 20 -0.125 9.511 1.572 1.00 0.00 C +ATOM 295 C SER A 20 -0.770 10.671 0.820 1.00 0.00 C +ATOM 296 O SER A 20 -2.016 10.756 0.905 1.00 0.00 O +ATOM 297 CB SER A 20 0.919 9.961 2.597 1.00 0.00 C +ATOM 298 OG SER A 20 0.248 10.488 3.720 1.00 0.00 O +ATOM 299 OXT SER A 20 -0.011 11.405 0.152 1.00 0.00 O +ATOM 300 H SER A 20 1.013 8.983 -0.129 1.00 0.00 H +ATOM 301 HA SER A 20 -0.928 9.009 2.110 1.00 0.00 H +ATOM 302 HB2 SER A 20 1.519 9.122 2.895 1.00 0.00 H +ATOM 303 HB3 SER A 20 1.582 10.712 2.159 1.00 0.00 H +ATOM 304 HG SER A 20 -0.420 11.104 3.405 1.00 0.00 H +TER 305 SER A 20 +ENDMDL +MODEL 29 +ATOM 1 N ASN A 1 -8.605 5.735 -1.508 1.00 0.00 N +ATOM 2 CA ASN A 1 -7.571 6.051 -0.495 1.00 0.00 C +ATOM 3 C ASN A 1 -6.164 5.538 -0.832 1.00 0.00 C +ATOM 4 O ASN A 1 -5.240 5.940 -0.139 1.00 0.00 O +ATOM 5 CB ASN A 1 -8.006 5.614 0.920 1.00 0.00 C +ATOM 6 CG ASN A 1 -8.446 6.833 1.721 1.00 0.00 C +ATOM 7 OD1 ASN A 1 -7.636 7.667 2.079 1.00 0.00 O +ATOM 8 ND2 ASN A 1 -9.727 7.012 1.978 1.00 0.00 N +ATOM 9 H1 ASN A 1 -8.317 6.060 -2.422 1.00 0.00 H +ATOM 10 H2 ASN A 1 -8.771 4.738 -1.536 1.00 0.00 H +ATOM 11 H3 ASN A 1 -9.471 6.197 -1.263 1.00 0.00 H +ATOM 12 HA ASN A 1 -7.456 7.138 -0.461 1.00 0.00 H +ATOM 13 HB2 ASN A 1 -8.823 4.923 0.844 1.00 0.00 H +ATOM 14 HB3 ASN A 1 -7.168 5.160 1.453 1.00 0.00 H +ATOM 15 HD21 ASN A 1 -10.461 6.361 1.754 1.00 0.00 H +ATOM 16 HD22 ASN A 1 -9.905 7.847 2.515 1.00 0.00 H +ATOM 17 N LEU A 2 -5.966 4.679 -1.852 1.00 0.00 N +ATOM 18 CA LEU A 2 -4.666 4.117 -2.283 1.00 0.00 C +ATOM 19 C LEU A 2 -4.002 3.168 -1.262 1.00 0.00 C +ATOM 20 O LEU A 2 -3.524 2.099 -1.642 1.00 0.00 O +ATOM 21 CB LEU A 2 -3.717 5.253 -2.748 1.00 0.00 C +ATOM 22 CG LEU A 2 -3.317 5.246 -4.235 1.00 0.00 C +ATOM 23 CD1 LEU A 2 -2.553 3.980 -4.653 1.00 0.00 C +ATOM 24 CD2 LEU A 2 -4.536 5.478 -5.132 1.00 0.00 C +ATOM 25 H LEU A 2 -6.737 4.358 -2.414 1.00 0.00 H +ATOM 26 HA LEU A 2 -4.871 3.489 -3.150 1.00 0.00 H +ATOM 27 HB2 LEU A 2 -4.203 6.188 -2.545 1.00 0.00 H +ATOM 28 HB3 LEU A 2 -2.806 5.212 -2.162 1.00 0.00 H +ATOM 29 HG LEU A 2 -2.646 6.094 -4.387 1.00 0.00 H +ATOM 30 HD11 LEU A 2 -1.523 4.249 -4.893 1.00 0.00 H +ATOM 31 HD12 LEU A 2 -2.534 3.243 -3.853 1.00 0.00 H +ATOM 32 HD13 LEU A 2 -3.005 3.530 -5.537 1.00 0.00 H +ATOM 33 HD21 LEU A 2 -5.218 4.631 -5.088 1.00 0.00 H +ATOM 34 HD22 LEU A 2 -5.054 6.385 -4.819 1.00 0.00 H +ATOM 35 HD23 LEU A 2 -4.203 5.612 -6.162 1.00 0.00 H +ATOM 36 N TYR A 3 -4.025 3.502 0.030 1.00 0.00 N +ATOM 37 CA TYR A 3 -3.458 2.724 1.133 1.00 0.00 C +ATOM 38 C TYR A 3 -3.964 1.270 1.170 1.00 0.00 C +ATOM 39 O TYR A 3 -3.186 0.358 1.441 1.00 0.00 O +ATOM 40 CB TYR A 3 -3.738 3.456 2.457 1.00 0.00 C +ATOM 41 CG TYR A 3 -2.570 3.419 3.420 1.00 0.00 C +ATOM 42 CD1 TYR A 3 -2.245 2.219 4.078 1.00 0.00 C +ATOM 43 CD2 TYR A 3 -1.797 4.577 3.646 1.00 0.00 C +ATOM 44 CE1 TYR A 3 -1.149 2.170 4.960 1.00 0.00 C +ATOM 45 CE2 TYR A 3 -0.713 4.539 4.544 1.00 0.00 C +ATOM 46 CZ TYR A 3 -0.388 3.333 5.204 1.00 0.00 C +ATOM 47 OH TYR A 3 0.627 3.280 6.107 1.00 0.00 O +ATOM 48 H TYR A 3 -4.367 4.438 0.237 1.00 0.00 H +ATOM 49 HA TYR A 3 -2.377 2.691 0.989 1.00 0.00 H +ATOM 50 HB2 TYR A 3 -3.966 4.481 2.238 1.00 0.00 H +ATOM 51 HB3 TYR A 3 -4.614 3.021 2.941 1.00 0.00 H +ATOM 52 HD1 TYR A 3 -2.836 1.333 3.908 1.00 0.00 H +ATOM 53 HD2 TYR A 3 -2.032 5.503 3.135 1.00 0.00 H +ATOM 54 HE1 TYR A 3 -0.891 1.259 5.474 1.00 0.00 H +ATOM 55 HE2 TYR A 3 -0.128 5.433 4.713 1.00 0.00 H +ATOM 56 HH TYR A 3 0.617 4.042 6.689 1.00 0.00 H +ATOM 57 N ILE A 4 -5.244 1.037 0.838 1.00 0.00 N +ATOM 58 CA ILE A 4 -5.834 -0.306 0.713 1.00 0.00 C +ATOM 59 C ILE A 4 -5.105 -1.123 -0.367 1.00 0.00 C +ATOM 60 O ILE A 4 -4.724 -2.268 -0.130 1.00 0.00 O +ATOM 61 CB ILE A 4 -7.352 -0.235 0.407 1.00 0.00 C +ATOM 62 CG1 ILE A 4 -8.137 0.689 1.373 1.00 0.00 C +ATOM 63 CG2 ILE A 4 -7.972 -1.643 0.457 1.00 0.00 C +ATOM 64 CD1 ILE A 4 -8.547 2.007 0.707 1.00 0.00 C +ATOM 65 H ILE A 4 -5.819 1.844 0.651 1.00 0.00 H +ATOM 66 HA ILE A 4 -5.700 -0.825 1.663 1.00 0.00 H +ATOM 67 HB ILE A 4 -7.482 0.137 -0.611 1.00 0.00 H +ATOM 68 HG12 ILE A 4 -9.022 0.177 1.699 1.00 0.00 H +ATOM 69 HG13 ILE A 4 -7.548 0.901 2.265 1.00 0.00 H +ATOM 70 HG21 ILE A 4 -7.504 -2.298 -0.279 1.00 0.00 H +ATOM 71 HG22 ILE A 4 -7.845 -2.074 1.451 1.00 0.00 H +ATOM 72 HG23 ILE A 4 -9.037 -1.590 0.226 1.00 0.00 H +ATOM 73 HD11 ILE A 4 -7.664 2.587 0.439 1.00 0.00 H +ATOM 74 HD12 ILE A 4 -9.134 1.802 -0.191 1.00 0.00 H +ATOM 75 HD13 ILE A 4 -9.164 2.579 1.400 1.00 0.00 H +ATOM 76 N GLN A 5 -4.897 -0.530 -1.550 1.00 0.00 N +ATOM 77 CA GLN A 5 -4.198 -1.155 -2.673 1.00 0.00 C +ATOM 78 C GLN A 5 -2.723 -1.419 -2.333 1.00 0.00 C +ATOM 79 O GLN A 5 -2.200 -2.473 -2.684 1.00 0.00 O +ATOM 80 CB GLN A 5 -4.336 -0.262 -3.917 1.00 0.00 C +ATOM 81 CG GLN A 5 -3.914 -0.964 -5.221 1.00 0.00 C +ATOM 82 CD GLN A 5 -5.086 -1.137 -6.184 1.00 0.00 C +ATOM 83 OE1 GLN A 5 -5.679 -0.180 -6.653 1.00 0.00 O +ATOM 84 NE2 GLN A 5 -5.471 -2.356 -6.511 1.00 0.00 N +ATOM 85 H GLN A 5 -5.132 0.448 -1.635 1.00 0.00 H +ATOM 86 HA GLN A 5 -4.672 -2.115 -2.879 1.00 0.00 H +ATOM 87 HB2 GLN A 5 -5.362 0.038 -4.009 1.00 0.00 H +ATOM 88 HB3 GLN A 5 -3.724 0.632 -3.790 1.00 0.00 H +ATOM 89 HG2 GLN A 5 -3.155 -0.376 -5.701 1.00 0.00 H +ATOM 90 HG3 GLN A 5 -3.469 -1.937 -5.010 1.00 0.00 H +ATOM 91 HE21 GLN A 5 -4.984 -3.177 -6.199 1.00 0.00 H +ATOM 92 HE22 GLN A 5 -6.221 -2.372 -7.181 1.00 0.00 H +ATOM 93 N TRP A 6 -2.071 -0.497 -1.615 1.00 0.00 N +ATOM 94 CA TRP A 6 -0.715 -0.699 -1.098 1.00 0.00 C +ATOM 95 C TRP A 6 -0.639 -1.865 -0.097 1.00 0.00 C +ATOM 96 O TRP A 6 0.196 -2.757 -0.250 1.00 0.00 O +ATOM 97 CB TRP A 6 -0.203 0.608 -0.484 1.00 0.00 C +ATOM 98 CG TRP A 6 1.201 0.530 0.024 1.00 0.00 C +ATOM 99 CD1 TRP A 6 2.311 0.523 -0.750 1.00 0.00 C +ATOM 100 CD2 TRP A 6 1.672 0.404 1.403 1.00 0.00 C +ATOM 101 NE1 TRP A 6 3.428 0.392 0.050 1.00 0.00 N +ATOM 102 CE2 TRP A 6 3.094 0.319 1.381 1.00 0.00 C +ATOM 103 CE3 TRP A 6 1.048 0.358 2.668 1.00 0.00 C +ATOM 104 CZ2 TRP A 6 3.864 0.210 2.546 1.00 0.00 C +ATOM 105 CZ3 TRP A 6 1.810 0.242 3.848 1.00 0.00 C +ATOM 106 CH2 TRP A 6 3.214 0.174 3.791 1.00 0.00 C +ATOM 107 H TRP A 6 -2.559 0.372 -1.412 1.00 0.00 H +ATOM 108 HA TRP A 6 -0.064 -0.958 -1.933 1.00 0.00 H +ATOM 109 HB2 TRP A 6 -0.249 1.374 -1.234 1.00 0.00 H +ATOM 110 HB3 TRP A 6 -0.852 0.901 0.340 1.00 0.00 H +ATOM 111 HD1 TRP A 6 2.315 0.589 -1.829 1.00 0.00 H +ATOM 112 HE1 TRP A 6 4.395 0.361 -0.282 1.00 0.00 H +ATOM 113 HE3 TRP A 6 -0.028 0.427 2.725 1.00 0.00 H +ATOM 114 HZ2 TRP A 6 4.940 0.156 2.473 1.00 0.00 H +ATOM 115 HZ3 TRP A 6 1.316 0.221 4.810 1.00 0.00 H +ATOM 116 HH2 TRP A 6 3.792 0.099 4.701 1.00 0.00 H +ATOM 117 N LEU A 7 -1.536 -1.900 0.899 1.00 0.00 N +ATOM 118 CA LEU A 7 -1.617 -3.007 1.855 1.00 0.00 C +ATOM 119 C LEU A 7 -1.901 -4.357 1.181 1.00 0.00 C +ATOM 120 O LEU A 7 -1.360 -5.362 1.635 1.00 0.00 O +ATOM 121 CB LEU A 7 -2.675 -2.710 2.932 1.00 0.00 C +ATOM 122 CG LEU A 7 -2.221 -1.687 3.991 1.00 0.00 C +ATOM 123 CD1 LEU A 7 -3.385 -1.386 4.937 1.00 0.00 C +ATOM 124 CD2 LEU A 7 -1.031 -2.194 4.815 1.00 0.00 C +ATOM 125 H LEU A 7 -2.191 -1.126 0.991 1.00 0.00 H +ATOM 126 HA LEU A 7 -0.645 -3.114 2.334 1.00 0.00 H +ATOM 127 HB2 LEU A 7 -3.552 -2.327 2.447 1.00 0.00 H +ATOM 128 HB3 LEU A 7 -2.922 -3.640 3.447 1.00 0.00 H +ATOM 129 HG LEU A 7 -1.930 -0.760 3.500 1.00 0.00 H +ATOM 130 HD11 LEU A 7 -4.245 -1.036 4.365 1.00 0.00 H +ATOM 131 HD12 LEU A 7 -3.661 -2.286 5.488 1.00 0.00 H +ATOM 132 HD13 LEU A 7 -3.096 -0.608 5.644 1.00 0.00 H +ATOM 133 HD21 LEU A 7 -1.172 -3.243 5.075 1.00 0.00 H +ATOM 134 HD22 LEU A 7 -0.114 -2.086 4.240 1.00 0.00 H +ATOM 135 HD23 LEU A 7 -0.929 -1.613 5.731 1.00 0.00 H +ATOM 136 N LYS A 8 -2.692 -4.379 0.094 1.00 0.00 N +ATOM 137 CA LYS A 8 -3.020 -5.583 -0.687 1.00 0.00 C +ATOM 138 C LYS A 8 -1.785 -6.364 -1.155 1.00 0.00 C +ATOM 139 O LYS A 8 -1.838 -7.588 -1.203 1.00 0.00 O +ATOM 140 CB LYS A 8 -3.879 -5.189 -1.903 1.00 0.00 C +ATOM 141 CG LYS A 8 -4.659 -6.371 -2.495 1.00 0.00 C +ATOM 142 CD LYS A 8 -5.247 -6.001 -3.867 1.00 0.00 C +ATOM 143 CE LYS A 8 -6.373 -6.957 -4.272 1.00 0.00 C +ATOM 144 NZ LYS A 8 -7.632 -6.645 -3.554 1.00 0.00 N +ATOM 145 H LYS A 8 -3.148 -3.504 -0.155 1.00 0.00 H +ATOM 146 HA LYS A 8 -3.595 -6.254 -0.047 1.00 0.00 H +ATOM 147 HB2 LYS A 8 -4.579 -4.436 -1.597 1.00 0.00 H +ATOM 148 HB3 LYS A 8 -3.229 -4.772 -2.673 1.00 0.00 H +ATOM 149 HG2 LYS A 8 -3.997 -7.208 -2.609 1.00 0.00 H +ATOM 150 HG3 LYS A 8 -5.454 -6.641 -1.801 1.00 0.00 H +ATOM 151 HD2 LYS A 8 -5.637 -5.002 -3.821 1.00 0.00 H +ATOM 152 HD3 LYS A 8 -4.447 -6.061 -4.607 1.00 0.00 H +ATOM 153 HE2 LYS A 8 -6.542 -6.870 -5.328 1.00 0.00 H +ATOM 154 HE3 LYS A 8 -6.057 -7.983 -4.060 1.00 0.00 H +ATOM 155 HZ1 LYS A 8 -7.483 -6.699 -2.554 1.00 0.00 H +ATOM 156 HZ2 LYS A 8 -7.939 -5.708 -3.782 1.00 0.00 H +ATOM 157 HZ3 LYS A 8 -8.360 -7.298 -3.811 1.00 0.00 H +ATOM 158 N ASP A 9 -0.706 -5.663 -1.517 1.00 0.00 N +ATOM 159 CA ASP A 9 0.544 -6.266 -1.987 1.00 0.00 C +ATOM 160 C ASP A 9 1.293 -6.977 -0.843 1.00 0.00 C +ATOM 161 O ASP A 9 1.650 -8.148 -0.961 1.00 0.00 O +ATOM 162 CB ASP A 9 1.392 -5.171 -2.653 1.00 0.00 C +ATOM 163 CG ASP A 9 2.434 -5.757 -3.608 1.00 0.00 C +ATOM 164 OD1 ASP A 9 3.525 -6.132 -3.128 1.00 0.00 O +ATOM 165 OD2 ASP A 9 2.117 -5.814 -4.817 1.00 0.00 O +ATOM 166 H ASP A 9 -0.755 -4.653 -1.452 1.00 0.00 H +ATOM 167 HA ASP A 9 0.304 -7.017 -2.743 1.00 0.00 H +ATOM 168 HB2 ASP A 9 0.744 -4.518 -3.205 1.00 0.00 H +ATOM 169 HB3 ASP A 9 1.878 -4.560 -1.892 1.00 0.00 H +ATOM 170 N GLY A 10 1.469 -6.281 0.289 1.00 0.00 N +ATOM 171 CA GLY A 10 2.142 -6.803 1.484 1.00 0.00 C +ATOM 172 C GLY A 10 2.644 -5.740 2.469 1.00 0.00 C +ATOM 173 O GLY A 10 3.613 -5.985 3.194 1.00 0.00 O +ATOM 174 H GLY A 10 1.155 -5.323 0.250 1.00 0.00 H +ATOM 175 HA2 GLY A 10 1.445 -7.452 2.016 1.00 0.00 H +ATOM 176 HA3 GLY A 10 2.995 -7.408 1.175 1.00 0.00 H +ATOM 177 N GLY A 11 2.028 -4.548 2.496 1.00 0.00 N +ATOM 178 CA GLY A 11 2.465 -3.422 3.328 1.00 0.00 C +ATOM 179 C GLY A 11 3.961 -3.104 3.147 1.00 0.00 C +ATOM 180 O GLY A 11 4.428 -3.060 2.005 1.00 0.00 O +ATOM 181 H GLY A 11 1.229 -4.418 1.894 1.00 0.00 H +ATOM 182 HA2 GLY A 11 1.897 -2.535 3.047 1.00 0.00 H +ATOM 183 HA3 GLY A 11 2.242 -3.663 4.366 1.00 0.00 H +ATOM 184 N PRO A 12 4.744 -2.895 4.229 1.00 0.00 N +ATOM 185 CA PRO A 12 6.184 -2.626 4.136 1.00 0.00 C +ATOM 186 C PRO A 12 6.990 -3.695 3.379 1.00 0.00 C +ATOM 187 O PRO A 12 8.035 -3.383 2.813 1.00 0.00 O +ATOM 188 CB PRO A 12 6.687 -2.517 5.581 1.00 0.00 C +ATOM 189 CG PRO A 12 5.435 -2.200 6.394 1.00 0.00 C +ATOM 190 CD PRO A 12 4.325 -2.910 5.621 1.00 0.00 C +ATOM 191 HA PRO A 12 6.325 -1.668 3.636 1.00 0.00 H +ATOM 192 HB2 PRO A 12 7.124 -3.443 5.902 1.00 0.00 H +ATOM 193 HB3 PRO A 12 7.439 -1.733 5.682 1.00 0.00 H +ATOM 194 HG2 PRO A 12 5.516 -2.586 7.392 1.00 0.00 H +ATOM 195 HG3 PRO A 12 5.256 -1.124 6.386 1.00 0.00 H +ATOM 196 HD2 PRO A 12 4.214 -3.919 5.968 1.00 0.00 H +ATOM 197 HD3 PRO A 12 3.379 -2.387 5.767 1.00 0.00 H +ATOM 198 N SER A 13 6.507 -4.946 3.334 1.00 0.00 N +ATOM 199 CA SER A 13 7.187 -6.064 2.673 1.00 0.00 C +ATOM 200 C SER A 13 7.029 -6.063 1.139 1.00 0.00 C +ATOM 201 O SER A 13 7.451 -7.024 0.494 1.00 0.00 O +ATOM 202 CB SER A 13 6.706 -7.387 3.280 1.00 0.00 C +ATOM 203 OG SER A 13 7.516 -8.439 2.801 1.00 0.00 O +ATOM 204 H SER A 13 5.587 -5.127 3.723 1.00 0.00 H +ATOM 205 HA SER A 13 8.254 -5.982 2.881 1.00 0.00 H +ATOM 206 HB2 SER A 13 6.777 -7.338 4.350 1.00 0.00 H +ATOM 207 HB3 SER A 13 5.667 -7.570 3.006 1.00 0.00 H +ATOM 208 HG SER A 13 7.599 -8.303 1.840 1.00 0.00 H +ATOM 209 N SER A 14 6.431 -5.007 0.568 1.00 0.00 N +ATOM 210 CA SER A 14 6.122 -4.843 -0.863 1.00 0.00 C +ATOM 211 C SER A 14 7.243 -4.167 -1.670 1.00 0.00 C +ATOM 212 O SER A 14 7.126 -4.014 -2.885 1.00 0.00 O +ATOM 213 CB SER A 14 4.869 -3.968 -1.035 1.00 0.00 C +ATOM 214 OG SER A 14 3.852 -4.282 -0.111 1.00 0.00 O +ATOM 215 H SER A 14 6.092 -4.293 1.198 1.00 0.00 H +ATOM 216 HA SER A 14 5.916 -5.820 -1.304 1.00 0.00 H +ATOM 217 HB2 SER A 14 5.148 -2.940 -0.902 1.00 0.00 H +ATOM 218 HB3 SER A 14 4.489 -4.086 -2.049 1.00 0.00 H +ATOM 219 HG SER A 14 4.047 -3.794 0.729 1.00 0.00 H +ATOM 220 N GLY A 15 8.295 -3.658 -1.015 1.00 0.00 N +ATOM 221 CA GLY A 15 9.401 -2.924 -1.649 1.00 0.00 C +ATOM 222 C GLY A 15 9.095 -1.469 -2.050 1.00 0.00 C +ATOM 223 O GLY A 15 10.027 -0.688 -2.223 1.00 0.00 O +ATOM 224 H GLY A 15 8.323 -3.798 -0.013 1.00 0.00 H +ATOM 225 HA2 GLY A 15 10.254 -2.914 -0.971 1.00 0.00 H +ATOM 226 HA3 GLY A 15 9.705 -3.456 -2.552 1.00 0.00 H +ATOM 227 N ARG A 16 7.815 -1.082 -2.167 1.00 0.00 N +ATOM 228 CA ARG A 16 7.364 0.285 -2.472 1.00 0.00 C +ATOM 229 C ARG A 16 6.898 1.010 -1.194 1.00 0.00 C +ATOM 230 O ARG A 16 6.164 0.402 -0.414 1.00 0.00 O +ATOM 231 CB ARG A 16 6.227 0.209 -3.508 1.00 0.00 C +ATOM 232 CG ARG A 16 5.864 1.592 -4.069 1.00 0.00 C +ATOM 233 CD ARG A 16 4.667 1.536 -5.024 1.00 0.00 C +ATOM 234 NE ARG A 16 4.606 2.733 -5.883 1.00 0.00 N +ATOM 235 CZ ARG A 16 4.305 3.981 -5.540 1.00 0.00 C +ATOM 236 NH1 ARG A 16 3.982 4.326 -4.313 1.00 0.00 N +ATOM 237 NH2 ARG A 16 4.338 4.924 -6.455 1.00 0.00 N +ATOM 238 H ARG A 16 7.121 -1.806 -2.050 1.00 0.00 H +ATOM 239 HA ARG A 16 8.203 0.825 -2.912 1.00 0.00 H +ATOM 240 HB2 ARG A 16 6.538 -0.422 -4.318 1.00 0.00 H +ATOM 241 HB3 ARG A 16 5.345 -0.244 -3.049 1.00 0.00 H +ATOM 242 HG2 ARG A 16 5.623 2.244 -3.251 1.00 0.00 H +ATOM 243 HG3 ARG A 16 6.729 1.984 -4.604 1.00 0.00 H +ATOM 244 HD2 ARG A 16 4.756 0.665 -5.645 1.00 0.00 H +ATOM 245 HD3 ARG A 16 3.744 1.430 -4.452 1.00 0.00 H +ATOM 246 HE ARG A 16 4.837 2.583 -6.851 1.00 0.00 H +ATOM 247 HH11 ARG A 16 3.989 3.631 -3.582 1.00 0.00 H +ATOM 248 HH12 ARG A 16 3.762 5.278 -4.085 1.00 0.00 H +ATOM 249 HH21 ARG A 16 4.596 4.707 -7.402 1.00 0.00 H +ATOM 250 HH22 ARG A 16 4.116 5.872 -6.209 1.00 0.00 H +ATOM 251 N PRO A 17 7.232 2.303 -0.989 1.00 0.00 N +ATOM 252 CA PRO A 17 6.749 3.076 0.161 1.00 0.00 C +ATOM 253 C PRO A 17 5.224 3.306 0.130 1.00 0.00 C +ATOM 254 O PRO A 17 4.612 3.230 -0.945 1.00 0.00 O +ATOM 255 CB PRO A 17 7.515 4.405 0.107 1.00 0.00 C +ATOM 256 CG PRO A 17 7.835 4.571 -1.375 1.00 0.00 C +ATOM 257 CD PRO A 17 8.095 3.134 -1.819 1.00 0.00 C +ATOM 258 HA PRO A 17 7.009 2.547 1.078 1.00 0.00 H +ATOM 259 HB2 PRO A 17 6.905 5.214 0.461 1.00 0.00 H +ATOM 260 HB3 PRO A 17 8.445 4.313 0.672 1.00 0.00 H +ATOM 261 HG2 PRO A 17 7.005 4.997 -1.906 1.00 0.00 H +ATOM 262 HG3 PRO A 17 8.703 5.210 -1.537 1.00 0.00 H +ATOM 263 HD2 PRO A 17 7.847 3.012 -2.856 1.00 0.00 H +ATOM 264 HD3 PRO A 17 9.137 2.873 -1.630 1.00 0.00 H +ATOM 265 N PRO A 18 4.607 3.621 1.290 1.00 0.00 N +ATOM 266 CA PRO A 18 3.173 3.861 1.391 1.00 0.00 C +ATOM 267 C PRO A 18 2.768 5.155 0.668 1.00 0.00 C +ATOM 268 O PRO A 18 3.536 6.122 0.654 1.00 0.00 O +ATOM 269 CB PRO A 18 2.862 3.940 2.889 1.00 0.00 C +ATOM 270 CG PRO A 18 4.175 4.424 3.496 1.00 0.00 C +ATOM 271 CD PRO A 18 5.230 3.775 2.601 1.00 0.00 C +ATOM 272 HA PRO A 18 2.647 3.013 0.960 1.00 0.00 H +ATOM 273 HB2 PRO A 18 2.070 4.638 3.081 1.00 0.00 H +ATOM 274 HB3 PRO A 18 2.631 2.946 3.269 1.00 0.00 H +ATOM 275 HG2 PRO A 18 4.245 5.494 3.460 1.00 0.00 H +ATOM 276 HG3 PRO A 18 4.280 4.116 4.536 1.00 0.00 H +ATOM 277 HD2 PRO A 18 6.097 4.404 2.530 1.00 0.00 H +ATOM 278 HD3 PRO A 18 5.490 2.793 2.996 1.00 0.00 H +ATOM 279 N PRO A 19 1.558 5.206 0.088 1.00 0.00 N +ATOM 280 CA PRO A 19 1.036 6.414 -0.536 1.00 0.00 C +ATOM 281 C PRO A 19 0.580 7.431 0.525 1.00 0.00 C +ATOM 282 O PRO A 19 0.139 7.063 1.615 1.00 0.00 O +ATOM 283 CB PRO A 19 -0.114 5.918 -1.419 1.00 0.00 C +ATOM 284 CG PRO A 19 -0.641 4.693 -0.668 1.00 0.00 C +ATOM 285 CD PRO A 19 0.599 4.117 0.004 1.00 0.00 C +ATOM 286 HA PRO A 19 1.800 6.874 -1.164 1.00 0.00 H +ATOM 287 HB2 PRO A 19 -0.876 6.667 -1.512 1.00 0.00 H +ATOM 288 HB3 PRO A 19 0.288 5.602 -2.384 1.00 0.00 H +ATOM 289 HG2 PRO A 19 -1.374 4.978 0.062 1.00 0.00 H +ATOM 290 HG3 PRO A 19 -1.084 3.963 -1.347 1.00 0.00 H +ATOM 291 HD2 PRO A 19 0.357 3.758 0.986 1.00 0.00 H +ATOM 292 HD3 PRO A 19 1.015 3.321 -0.613 1.00 0.00 H +ATOM 293 N SER A 20 0.671 8.718 0.173 1.00 0.00 N +ATOM 294 CA SER A 20 0.166 9.881 0.915 1.00 0.00 C +ATOM 295 C SER A 20 -0.789 10.667 0.023 1.00 0.00 C +ATOM 296 O SER A 20 -1.886 10.995 0.519 1.00 0.00 O +ATOM 297 CB SER A 20 1.319 10.782 1.355 1.00 0.00 C +ATOM 298 OG SER A 20 2.016 10.129 2.391 1.00 0.00 O +ATOM 299 OXT SER A 20 -0.396 10.900 -1.142 1.00 0.00 O +ATOM 300 H SER A 20 0.997 8.943 -0.756 1.00 0.00 H +ATOM 301 HA SER A 20 -0.403 9.569 1.792 1.00 0.00 H +ATOM 302 HB2 SER A 20 1.979 10.958 0.527 1.00 0.00 H +ATOM 303 HB3 SER A 20 0.933 11.738 1.713 1.00 0.00 H +ATOM 304 HG SER A 20 1.901 9.185 2.245 1.00 0.00 H +TER 305 SER A 20 +ENDMDL +MODEL 30 +ATOM 1 N ASN A 1 -6.460 7.364 0.613 1.00 0.00 N +ATOM 2 CA ASN A 1 -7.483 6.556 -0.103 1.00 0.00 C +ATOM 3 C ASN A 1 -6.889 5.287 -0.732 1.00 0.00 C +ATOM 4 O ASN A 1 -7.475 4.227 -0.571 1.00 0.00 O +ATOM 5 CB ASN A 1 -8.236 7.406 -1.144 1.00 0.00 C +ATOM 6 CG ASN A 1 -7.303 7.780 -2.289 1.00 0.00 C +ATOM 7 OD1 ASN A 1 -6.233 8.314 -2.043 1.00 0.00 O +ATOM 8 ND2 ASN A 1 -7.597 7.393 -3.514 1.00 0.00 N +ATOM 9 H1 ASN A 1 -5.878 6.774 1.192 1.00 0.00 H +ATOM 10 H2 ASN A 1 -5.887 7.854 -0.067 1.00 0.00 H +ATOM 11 H3 ASN A 1 -6.912 8.053 1.197 1.00 0.00 H +ATOM 12 HA ASN A 1 -8.216 6.208 0.628 1.00 0.00 H +ATOM 13 HB2 ASN A 1 -9.064 6.843 -1.530 1.00 0.00 H +ATOM 14 HB3 ASN A 1 -8.607 8.320 -0.677 1.00 0.00 H +ATOM 15 HD21 ASN A 1 -8.429 6.875 -3.745 1.00 0.00 H +ATOM 16 HD22 ASN A 1 -6.919 7.643 -4.219 1.00 0.00 H +ATOM 17 N LEU A 2 -5.741 5.358 -1.420 1.00 0.00 N +ATOM 18 CA LEU A 2 -5.100 4.220 -2.108 1.00 0.00 C +ATOM 19 C LEU A 2 -4.341 3.246 -1.180 1.00 0.00 C +ATOM 20 O LEU A 2 -3.776 2.254 -1.644 1.00 0.00 O +ATOM 21 CB LEU A 2 -4.211 4.795 -3.233 1.00 0.00 C +ATOM 22 CG LEU A 2 -5.026 4.979 -4.531 1.00 0.00 C +ATOM 23 CD1 LEU A 2 -4.502 6.140 -5.376 1.00 0.00 C +ATOM 24 CD2 LEU A 2 -5.004 3.695 -5.367 1.00 0.00 C +ATOM 25 H LEU A 2 -5.329 6.267 -1.601 1.00 0.00 H +ATOM 26 HA LEU A 2 -5.882 3.615 -2.569 1.00 0.00 H +ATOM 27 HB2 LEU A 2 -3.822 5.746 -2.923 1.00 0.00 H +ATOM 28 HB3 LEU A 2 -3.367 4.131 -3.434 1.00 0.00 H +ATOM 29 HG LEU A 2 -6.062 5.205 -4.277 1.00 0.00 H +ATOM 30 HD11 LEU A 2 -4.492 7.057 -4.785 1.00 0.00 H +ATOM 31 HD12 LEU A 2 -3.492 5.927 -5.725 1.00 0.00 H +ATOM 32 HD13 LEU A 2 -5.154 6.287 -6.238 1.00 0.00 H +ATOM 33 HD21 LEU A 2 -3.983 3.466 -5.675 1.00 0.00 H +ATOM 34 HD22 LEU A 2 -5.397 2.860 -4.791 1.00 0.00 H +ATOM 35 HD23 LEU A 2 -5.619 3.822 -6.259 1.00 0.00 H +ATOM 36 N TYR A 3 -4.369 3.488 0.136 1.00 0.00 N +ATOM 37 CA TYR A 3 -3.657 2.701 1.145 1.00 0.00 C +ATOM 38 C TYR A 3 -4.098 1.228 1.178 1.00 0.00 C +ATOM 39 O TYR A 3 -3.268 0.347 1.389 1.00 0.00 O +ATOM 40 CB TYR A 3 -3.837 3.357 2.523 1.00 0.00 C +ATOM 41 CG TYR A 3 -2.642 3.161 3.434 1.00 0.00 C +ATOM 42 CD1 TYR A 3 -2.458 1.945 4.120 1.00 0.00 C +ATOM 43 CD2 TYR A 3 -1.695 4.196 3.573 1.00 0.00 C +ATOM 44 CE1 TYR A 3 -1.331 1.761 4.945 1.00 0.00 C +ATOM 45 CE2 TYR A 3 -0.570 4.016 4.396 1.00 0.00 C +ATOM 46 CZ TYR A 3 -0.383 2.798 5.082 1.00 0.00 C +ATOM 47 OH TYR A 3 0.699 2.647 5.890 1.00 0.00 O +ATOM 48 H TYR A 3 -4.905 4.281 0.443 1.00 0.00 H +ATOM 49 HA TYR A 3 -2.597 2.723 0.895 1.00 0.00 H +ATOM 50 HB2 TYR A 3 -3.991 4.410 2.383 1.00 0.00 H +ATOM 51 HB3 TYR A 3 -4.732 2.959 3.008 1.00 0.00 H +ATOM 52 HD1 TYR A 3 -3.179 1.149 4.003 1.00 0.00 H +ATOM 53 HD2 TYR A 3 -1.824 5.137 3.055 1.00 0.00 H +ATOM 54 HE1 TYR A 3 -1.180 0.826 5.463 1.00 0.00 H +ATOM 55 HE2 TYR A 3 0.151 4.808 4.521 1.00 0.00 H +ATOM 56 HH TYR A 3 0.441 2.460 6.795 1.00 0.00 H +ATOM 57 N ILE A 4 -5.388 0.955 0.919 1.00 0.00 N +ATOM 58 CA ILE A 4 -5.920 -0.410 0.824 1.00 0.00 C +ATOM 59 C ILE A 4 -5.170 -1.190 -0.266 1.00 0.00 C +ATOM 60 O ILE A 4 -4.654 -2.276 -0.009 1.00 0.00 O +ATOM 61 CB ILE A 4 -7.449 -0.413 0.570 1.00 0.00 C +ATOM 62 CG1 ILE A 4 -8.252 0.393 1.623 1.00 0.00 C +ATOM 63 CG2 ILE A 4 -7.973 -1.860 0.555 1.00 0.00 C +ATOM 64 CD1 ILE A 4 -8.642 1.792 1.136 1.00 0.00 C +ATOM 65 H ILE A 4 -6.009 1.734 0.758 1.00 0.00 H +ATOM 66 HA ILE A 4 -5.730 -0.915 1.773 1.00 0.00 H +ATOM 67 HB ILE A 4 -7.642 0.008 -0.418 1.00 0.00 H +ATOM 68 HG12 ILE A 4 -9.148 -0.149 1.858 1.00 0.00 H +ATOM 69 HG13 ILE A 4 -7.684 0.477 2.549 1.00 0.00 H +ATOM 70 HG21 ILE A 4 -7.552 -2.404 -0.285 1.00 0.00 H +ATOM 71 HG22 ILE A 4 -7.704 -2.366 1.485 1.00 0.00 H +ATOM 72 HG23 ILE A 4 -9.059 -1.868 0.448 1.00 0.00 H +ATOM 73 HD11 ILE A 4 -7.779 2.452 1.188 1.00 0.00 H +ATOM 74 HD12 ILE A 4 -9.018 1.751 0.113 1.00 0.00 H +ATOM 75 HD13 ILE A 4 -9.431 2.192 1.775 1.00 0.00 H +ATOM 76 N GLN A 5 -5.097 -0.628 -1.481 1.00 0.00 N +ATOM 77 CA GLN A 5 -4.416 -1.240 -2.624 1.00 0.00 C +ATOM 78 C GLN A 5 -2.926 -1.482 -2.349 1.00 0.00 C +ATOM 79 O GLN A 5 -2.406 -2.535 -2.707 1.00 0.00 O +ATOM 80 CB GLN A 5 -4.601 -0.369 -3.878 1.00 0.00 C +ATOM 81 CG GLN A 5 -4.909 -1.238 -5.106 1.00 0.00 C +ATOM 82 CD GLN A 5 -4.680 -0.468 -6.398 1.00 0.00 C +ATOM 83 OE1 GLN A 5 -5.535 0.265 -6.866 1.00 0.00 O +ATOM 84 NE2 GLN A 5 -3.518 -0.604 -7.008 1.00 0.00 N +ATOM 85 H GLN A 5 -5.464 0.307 -1.591 1.00 0.00 H +ATOM 86 HA GLN A 5 -4.871 -2.214 -2.798 1.00 0.00 H +ATOM 87 HB2 GLN A 5 -5.414 0.312 -3.716 1.00 0.00 H +ATOM 88 HB3 GLN A 5 -3.691 0.207 -4.059 1.00 0.00 H +ATOM 89 HG2 GLN A 5 -4.269 -2.099 -5.094 1.00 0.00 H +ATOM 90 HG3 GLN A 5 -5.953 -1.554 -5.065 1.00 0.00 H +ATOM 91 HE21 GLN A 5 -2.791 -1.203 -6.654 1.00 0.00 H +ATOM 92 HE22 GLN A 5 -3.429 -0.080 -7.861 1.00 0.00 H +ATOM 93 N TRP A 6 -2.259 -0.532 -1.681 1.00 0.00 N +ATOM 94 CA TRP A 6 -0.876 -0.690 -1.231 1.00 0.00 C +ATOM 95 C TRP A 6 -0.716 -1.832 -0.211 1.00 0.00 C +ATOM 96 O TRP A 6 0.176 -2.668 -0.361 1.00 0.00 O +ATOM 97 CB TRP A 6 -0.374 0.647 -0.679 1.00 0.00 C +ATOM 98 CG TRP A 6 1.038 0.612 -0.187 1.00 0.00 C +ATOM 99 CD1 TRP A 6 2.141 0.697 -0.963 1.00 0.00 C +ATOM 100 CD2 TRP A 6 1.520 0.464 1.184 1.00 0.00 C +ATOM 101 NE1 TRP A 6 3.265 0.595 -0.168 1.00 0.00 N +ATOM 102 CE2 TRP A 6 2.944 0.448 1.159 1.00 0.00 C +ATOM 103 CE3 TRP A 6 0.902 0.355 2.448 1.00 0.00 C +ATOM 104 CZ2 TRP A 6 3.724 0.344 2.317 1.00 0.00 C +ATOM 105 CZ3 TRP A 6 1.675 0.244 3.623 1.00 0.00 C +ATOM 106 CH2 TRP A 6 3.080 0.249 3.561 1.00 0.00 C +ATOM 107 H TRP A 6 -2.752 0.326 -1.458 1.00 0.00 H +ATOM 108 HA TRP A 6 -0.260 -0.952 -2.093 1.00 0.00 H +ATOM 109 HB2 TRP A 6 -0.441 1.380 -1.459 1.00 0.00 H +ATOM 110 HB3 TRP A 6 -1.015 0.962 0.144 1.00 0.00 H +ATOM 111 HD1 TRP A 6 2.138 0.826 -2.038 1.00 0.00 H +ATOM 112 HE1 TRP A 6 4.223 0.685 -0.491 1.00 0.00 H +ATOM 113 HE3 TRP A 6 -0.175 0.378 2.506 1.00 0.00 H +ATOM 114 HZ2 TRP A 6 4.802 0.341 2.239 1.00 0.00 H +ATOM 115 HZ3 TRP A 6 1.187 0.174 4.582 1.00 0.00 H +ATOM 116 HH2 TRP A 6 3.663 0.185 4.467 1.00 0.00 H +ATOM 117 N LEU A 7 -1.599 -1.914 0.796 1.00 0.00 N +ATOM 118 CA LEU A 7 -1.593 -3.012 1.768 1.00 0.00 C +ATOM 119 C LEU A 7 -1.846 -4.384 1.129 1.00 0.00 C +ATOM 120 O LEU A 7 -1.193 -5.345 1.538 1.00 0.00 O +ATOM 121 CB LEU A 7 -2.602 -2.751 2.902 1.00 0.00 C +ATOM 122 CG LEU A 7 -2.105 -1.780 3.989 1.00 0.00 C +ATOM 123 CD1 LEU A 7 -3.232 -1.537 4.996 1.00 0.00 C +ATOM 124 CD2 LEU A 7 -0.894 -2.319 4.764 1.00 0.00 C +ATOM 125 H LEU A 7 -2.301 -1.181 0.888 1.00 0.00 H +ATOM 126 HA LEU A 7 -0.591 -3.074 2.189 1.00 0.00 H +ATOM 127 HB2 LEU A 7 -3.494 -2.341 2.469 1.00 0.00 H +ATOM 128 HB3 LEU A 7 -2.838 -3.699 3.387 1.00 0.00 H +ATOM 129 HG LEU A 7 -1.835 -0.833 3.527 1.00 0.00 H +ATOM 130 HD11 LEU A 7 -4.108 -1.139 4.483 1.00 0.00 H +ATOM 131 HD12 LEU A 7 -3.500 -2.472 5.489 1.00 0.00 H +ATOM 132 HD13 LEU A 7 -2.913 -0.822 5.752 1.00 0.00 H +ATOM 133 HD21 LEU A 7 -1.122 -3.301 5.179 1.00 0.00 H +ATOM 134 HD22 LEU A 7 -0.027 -2.398 4.112 1.00 0.00 H +ATOM 135 HD23 LEU A 7 -0.639 -1.639 5.576 1.00 0.00 H +ATOM 136 N LYS A 8 -2.722 -4.491 0.113 1.00 0.00 N +ATOM 137 CA LYS A 8 -2.959 -5.749 -0.626 1.00 0.00 C +ATOM 138 C LYS A 8 -1.683 -6.372 -1.201 1.00 0.00 C +ATOM 139 O LYS A 8 -1.595 -7.593 -1.269 1.00 0.00 O +ATOM 140 CB LYS A 8 -4.007 -5.555 -1.743 1.00 0.00 C +ATOM 141 CG LYS A 8 -5.443 -5.846 -1.265 1.00 0.00 C +ATOM 142 CD LYS A 8 -6.440 -4.718 -1.552 1.00 0.00 C +ATOM 143 CE LYS A 8 -6.997 -4.739 -2.978 1.00 0.00 C +ATOM 144 NZ LYS A 8 -7.865 -3.560 -3.222 1.00 0.00 N +ATOM 145 H LYS A 8 -3.252 -3.655 -0.124 1.00 0.00 H +ATOM 146 HA LYS A 8 -3.328 -6.495 0.081 1.00 0.00 H +ATOM 147 HB2 LYS A 8 -3.958 -4.540 -2.087 1.00 0.00 H +ATOM 148 HB3 LYS A 8 -3.787 -6.243 -2.562 1.00 0.00 H +ATOM 149 HG2 LYS A 8 -5.788 -6.734 -1.758 1.00 0.00 H +ATOM 150 HG3 LYS A 8 -5.439 -6.011 -0.187 1.00 0.00 H +ATOM 151 HD2 LYS A 8 -7.260 -4.808 -0.866 1.00 0.00 H +ATOM 152 HD3 LYS A 8 -5.951 -3.767 -1.378 1.00 0.00 H +ATOM 153 HE2 LYS A 8 -6.181 -4.725 -3.675 1.00 0.00 H +ATOM 154 HE3 LYS A 8 -7.572 -5.660 -3.111 1.00 0.00 H +ATOM 155 HZ1 LYS A 8 -8.644 -3.562 -2.574 1.00 0.00 H +ATOM 156 HZ2 LYS A 8 -7.341 -2.706 -3.093 1.00 0.00 H +ATOM 157 HZ3 LYS A 8 -8.232 -3.580 -4.164 1.00 0.00 H +ATOM 158 N ASP A 9 -0.696 -5.556 -1.580 1.00 0.00 N +ATOM 159 CA ASP A 9 0.598 -6.026 -2.075 1.00 0.00 C +ATOM 160 C ASP A 9 1.519 -6.577 -0.966 1.00 0.00 C +ATOM 161 O ASP A 9 2.545 -7.185 -1.279 1.00 0.00 O +ATOM 162 CB ASP A 9 1.286 -4.862 -2.807 1.00 0.00 C +ATOM 163 CG ASP A 9 2.136 -5.346 -3.982 1.00 0.00 C +ATOM 164 OD1 ASP A 9 1.579 -5.513 -5.084 1.00 0.00 O +ATOM 165 OD2 ASP A 9 3.373 -5.444 -3.814 1.00 0.00 O +ATOM 166 H ASP A 9 -0.850 -4.558 -1.514 1.00 0.00 H +ATOM 167 HA ASP A 9 0.421 -6.829 -2.794 1.00 0.00 H +ATOM 168 HB2 ASP A 9 0.534 -4.192 -3.177 1.00 0.00 H +ATOM 169 HB3 ASP A 9 1.907 -4.305 -2.103 1.00 0.00 H +ATOM 170 N GLY A 10 1.200 -6.338 0.319 1.00 0.00 N +ATOM 171 CA GLY A 10 1.994 -6.734 1.492 1.00 0.00 C +ATOM 172 C GLY A 10 2.551 -5.569 2.334 1.00 0.00 C +ATOM 173 O GLY A 10 3.261 -5.808 3.315 1.00 0.00 O +ATOM 174 H GLY A 10 0.312 -5.879 0.502 1.00 0.00 H +ATOM 175 HA2 GLY A 10 1.360 -7.337 2.142 1.00 0.00 H +ATOM 176 HA3 GLY A 10 2.835 -7.356 1.186 1.00 0.00 H +ATOM 177 N GLY A 11 2.238 -4.314 1.983 1.00 0.00 N +ATOM 178 CA GLY A 11 2.630 -3.135 2.756 1.00 0.00 C +ATOM 179 C GLY A 11 4.156 -2.921 2.790 1.00 0.00 C +ATOM 180 O GLY A 11 4.786 -2.907 1.729 1.00 0.00 O +ATOM 181 H GLY A 11 1.725 -4.177 1.122 1.00 0.00 H +ATOM 182 HA2 GLY A 11 2.172 -2.252 2.310 1.00 0.00 H +ATOM 183 HA3 GLY A 11 2.237 -3.250 3.763 1.00 0.00 H +ATOM 184 N PRO A 12 4.785 -2.743 3.974 1.00 0.00 N +ATOM 185 CA PRO A 12 6.237 -2.551 4.077 1.00 0.00 C +ATOM 186 C PRO A 12 7.066 -3.702 3.485 1.00 0.00 C +ATOM 187 O PRO A 12 8.207 -3.486 3.077 1.00 0.00 O +ATOM 188 CB PRO A 12 6.543 -2.392 5.572 1.00 0.00 C +ATOM 189 CG PRO A 12 5.203 -2.021 6.203 1.00 0.00 C +ATOM 190 CD PRO A 12 4.182 -2.709 5.300 1.00 0.00 C +ATOM 191 HA PRO A 12 6.501 -1.628 3.560 1.00 0.00 H +ATOM 192 HB2 PRO A 12 6.913 -3.312 5.983 1.00 0.00 H +ATOM 193 HB3 PRO A 12 7.291 -1.616 5.745 1.00 0.00 H +ATOM 194 HG2 PRO A 12 5.137 -2.391 7.208 1.00 0.00 H +ATOM 195 HG3 PRO A 12 5.065 -0.941 6.157 1.00 0.00 H +ATOM 196 HD2 PRO A 12 3.987 -3.705 5.648 1.00 0.00 H +ATOM 197 HD3 PRO A 12 3.247 -2.149 5.311 1.00 0.00 H +ATOM 198 N SER A 13 6.502 -4.917 3.405 1.00 0.00 N +ATOM 199 CA SER A 13 7.196 -6.128 2.940 1.00 0.00 C +ATOM 200 C SER A 13 7.128 -6.326 1.416 1.00 0.00 C +ATOM 201 O SER A 13 7.334 -7.437 0.931 1.00 0.00 O +ATOM 202 CB SER A 13 6.674 -7.367 3.682 1.00 0.00 C +ATOM 203 OG SER A 13 6.833 -7.217 5.081 1.00 0.00 O +ATOM 204 H SER A 13 5.524 -4.999 3.654 1.00 0.00 H +ATOM 205 HA SER A 13 8.254 -6.034 3.186 1.00 0.00 H +ATOM 206 HB2 SER A 13 5.633 -7.499 3.458 1.00 0.00 H +ATOM 207 HB3 SER A 13 7.251 -8.238 3.368 1.00 0.00 H +ATOM 208 HG SER A 13 6.115 -6.675 5.416 1.00 0.00 H +ATOM 209 N SER A 14 6.854 -5.257 0.662 1.00 0.00 N +ATOM 210 CA SER A 14 6.584 -5.293 -0.785 1.00 0.00 C +ATOM 211 C SER A 14 7.566 -4.459 -1.616 1.00 0.00 C +ATOM 212 O SER A 14 7.367 -4.289 -2.817 1.00 0.00 O +ATOM 213 CB SER A 14 5.146 -4.838 -1.031 1.00 0.00 C +ATOM 214 OG SER A 14 4.277 -5.620 -0.252 1.00 0.00 O +ATOM 215 H SER A 14 6.601 -4.410 1.157 1.00 0.00 H +ATOM 216 HA SER A 14 6.658 -6.321 -1.144 1.00 0.00 H +ATOM 217 HB2 SER A 14 5.044 -3.806 -0.757 1.00 0.00 H +ATOM 218 HB3 SER A 14 4.908 -4.937 -2.086 1.00 0.00 H +ATOM 219 HG SER A 14 3.762 -6.253 -0.814 1.00 0.00 H +ATOM 220 N GLY A 15 8.616 -3.911 -0.986 1.00 0.00 N +ATOM 221 CA GLY A 15 9.650 -3.115 -1.655 1.00 0.00 C +ATOM 222 C GLY A 15 9.148 -1.778 -2.215 1.00 0.00 C +ATOM 223 O GLY A 15 9.705 -1.282 -3.192 1.00 0.00 O +ATOM 224 H GLY A 15 8.720 -4.130 -0.003 1.00 0.00 H +ATOM 225 HA2 GLY A 15 10.451 -2.904 -0.947 1.00 0.00 H +ATOM 226 HA3 GLY A 15 10.069 -3.693 -2.479 1.00 0.00 H +ATOM 227 N ARG A 16 8.090 -1.203 -1.622 1.00 0.00 N +ATOM 228 CA ARG A 16 7.417 0.014 -2.096 1.00 0.00 C +ATOM 229 C ARG A 16 6.924 0.888 -0.926 1.00 0.00 C +ATOM 230 O ARG A 16 6.280 0.358 -0.018 1.00 0.00 O +ATOM 231 CB ARG A 16 6.269 -0.371 -3.052 1.00 0.00 C +ATOM 232 CG ARG A 16 5.250 -1.359 -2.458 1.00 0.00 C +ATOM 233 CD ARG A 16 4.104 -1.695 -3.419 1.00 0.00 C +ATOM 234 NE ARG A 16 4.341 -2.957 -4.134 1.00 0.00 N +ATOM 235 CZ ARG A 16 4.904 -3.201 -5.305 1.00 0.00 C +ATOM 236 NH1 ARG A 16 5.427 -2.257 -6.053 1.00 0.00 N +ATOM 237 NH2 ARG A 16 4.910 -4.436 -5.734 1.00 0.00 N +ATOM 238 H ARG A 16 7.706 -1.667 -0.809 1.00 0.00 H +ATOM 239 HA ARG A 16 8.145 0.582 -2.674 1.00 0.00 H +ATOM 240 HB2 ARG A 16 5.747 0.525 -3.327 1.00 0.00 H +ATOM 241 HB3 ARG A 16 6.708 -0.821 -3.943 1.00 0.00 H +ATOM 242 HG2 ARG A 16 5.762 -2.268 -2.207 1.00 0.00 H +ATOM 243 HG3 ARG A 16 4.813 -0.934 -1.563 1.00 0.00 H +ATOM 244 HD2 ARG A 16 3.194 -1.780 -2.857 1.00 0.00 H +ATOM 245 HD3 ARG A 16 3.933 -0.873 -4.115 1.00 0.00 H +ATOM 246 HE ARG A 16 3.985 -3.821 -3.714 1.00 0.00 H +ATOM 247 HH11 ARG A 16 5.402 -1.317 -5.706 1.00 0.00 H +ATOM 248 HH12 ARG A 16 5.836 -2.486 -6.938 1.00 0.00 H +ATOM 249 HH21 ARG A 16 4.381 -5.092 -5.130 1.00 0.00 H +ATOM 250 HH22 ARG A 16 5.299 -4.728 -6.606 1.00 0.00 H +ATOM 251 N PRO A 17 7.173 2.212 -0.928 1.00 0.00 N +ATOM 252 CA PRO A 17 6.709 3.107 0.135 1.00 0.00 C +ATOM 253 C PRO A 17 5.179 3.304 0.093 1.00 0.00 C +ATOM 254 O PRO A 17 4.572 3.105 -0.963 1.00 0.00 O +ATOM 255 CB PRO A 17 7.453 4.424 -0.105 1.00 0.00 C +ATOM 256 CG PRO A 17 7.690 4.435 -1.615 1.00 0.00 C +ATOM 257 CD PRO A 17 7.884 2.960 -1.955 1.00 0.00 C +ATOM 258 HA PRO A 17 6.996 2.696 1.103 1.00 0.00 H +ATOM 259 HB2 PRO A 17 6.854 5.262 0.195 1.00 0.00 H +ATOM 260 HB3 PRO A 17 8.414 4.395 0.413 1.00 0.00 H +ATOM 261 HG2 PRO A 17 6.842 4.840 -2.134 1.00 0.00 H +ATOM 262 HG3 PRO A 17 8.568 5.026 -1.881 1.00 0.00 H +ATOM 263 HD2 PRO A 17 7.475 2.744 -2.923 1.00 0.00 H +ATOM 264 HD3 PRO A 17 8.945 2.707 -1.917 1.00 0.00 H +ATOM 265 N PRO A 18 4.547 3.703 1.215 1.00 0.00 N +ATOM 266 CA PRO A 18 3.107 3.958 1.273 1.00 0.00 C +ATOM 267 C PRO A 18 2.718 5.246 0.522 1.00 0.00 C +ATOM 268 O PRO A 18 3.537 6.161 0.405 1.00 0.00 O +ATOM 269 CB PRO A 18 2.775 4.060 2.766 1.00 0.00 C +ATOM 270 CG PRO A 18 4.078 4.556 3.393 1.00 0.00 C +ATOM 271 CD PRO A 18 5.157 3.921 2.519 1.00 0.00 C +ATOM 272 HA PRO A 18 2.574 3.114 0.842 1.00 0.00 H +ATOM 273 HB2 PRO A 18 1.979 4.759 2.934 1.00 0.00 H +ATOM 274 HB3 PRO A 18 2.537 3.072 3.156 1.00 0.00 H +ATOM 275 HG2 PRO A 18 4.137 5.627 3.359 1.00 0.00 H +ATOM 276 HG3 PRO A 18 4.168 4.245 4.434 1.00 0.00 H +ATOM 277 HD2 PRO A 18 5.999 4.580 2.430 1.00 0.00 H +ATOM 278 HD3 PRO A 18 5.454 2.961 2.942 1.00 0.00 H +ATOM 279 N PRO A 19 1.462 5.356 0.042 1.00 0.00 N +ATOM 280 CA PRO A 19 0.965 6.565 -0.607 1.00 0.00 C +ATOM 281 C PRO A 19 0.679 7.670 0.424 1.00 0.00 C +ATOM 282 O PRO A 19 0.133 7.394 1.493 1.00 0.00 O +ATOM 283 CB PRO A 19 -0.307 6.120 -1.337 1.00 0.00 C +ATOM 284 CG PRO A 19 -0.842 4.980 -0.470 1.00 0.00 C +ATOM 285 CD PRO A 19 0.425 4.333 0.092 1.00 0.00 C +ATOM 286 HA PRO A 19 1.694 6.927 -1.334 1.00 0.00 H +ATOM 287 HB2 PRO A 19 -1.016 6.923 -1.394 1.00 0.00 H +ATOM 288 HB3 PRO A 19 -0.038 5.730 -2.321 1.00 0.00 H +ATOM 289 HG2 PRO A 19 -1.462 5.358 0.320 1.00 0.00 H +ATOM 290 HG3 PRO A 19 -1.427 4.271 -1.057 1.00 0.00 H +ATOM 291 HD2 PRO A 19 0.263 4.017 1.104 1.00 0.00 H +ATOM 292 HD3 PRO A 19 0.718 3.493 -0.537 1.00 0.00 H +ATOM 293 N SER A 20 1.033 8.915 0.077 1.00 0.00 N +ATOM 294 CA SER A 20 0.705 10.139 0.828 1.00 0.00 C +ATOM 295 C SER A 20 -0.786 10.478 0.742 1.00 0.00 C +ATOM 296 O SER A 20 -1.375 10.693 1.822 1.00 0.00 O +ATOM 297 CB SER A 20 1.520 11.322 0.296 1.00 0.00 C +ATOM 298 OG SER A 20 2.902 11.054 0.415 1.00 0.00 O +ATOM 299 OXT SER A 20 -1.297 10.548 -0.398 1.00 0.00 O +ATOM 300 H SER A 20 1.493 9.051 -0.810 1.00 0.00 H +ATOM 301 HA SER A 20 0.929 9.985 1.882 1.00 0.00 H +ATOM 302 HB2 SER A 20 1.278 11.484 -0.737 1.00 0.00 H +ATOM 303 HB3 SER A 20 1.270 12.218 0.868 1.00 0.00 H +ATOM 304 HG SER A 20 3.079 10.774 1.317 1.00 0.00 H +TER 305 SER A 20 +ENDMDL +MODEL 31 +ATOM 1 N ASN A 1 -5.909 7.522 0.267 1.00 0.00 N +ATOM 2 CA ASN A 1 -6.878 6.859 -0.640 1.00 0.00 C +ATOM 3 C ASN A 1 -6.387 5.474 -1.074 1.00 0.00 C +ATOM 4 O ASN A 1 -7.073 4.506 -0.795 1.00 0.00 O +ATOM 5 CB ASN A 1 -7.238 7.752 -1.848 1.00 0.00 C +ATOM 6 CG ASN A 1 -6.030 7.972 -2.754 1.00 0.00 C +ATOM 7 OD1 ASN A 1 -4.939 8.212 -2.259 1.00 0.00 O +ATOM 8 ND2 ASN A 1 -6.143 7.768 -4.052 1.00 0.00 N +ATOM 9 H1 ASN A 1 -5.599 6.883 0.986 1.00 0.00 H +ATOM 10 H2 ASN A 1 -5.112 7.842 -0.277 1.00 0.00 H +ATOM 11 H3 ASN A 1 -6.337 8.328 0.703 1.00 0.00 H +ATOM 12 HA ASN A 1 -7.798 6.680 -0.079 1.00 0.00 H +ATOM 13 HB2 ASN A 1 -8.017 7.278 -2.413 1.00 0.00 H +ATOM 14 HB3 ASN A 1 -7.592 8.722 -1.493 1.00 0.00 H +ATOM 15 HD21 ASN A 1 -7.007 7.508 -4.498 1.00 0.00 H +ATOM 16 HD22 ASN A 1 -5.297 7.914 -4.581 1.00 0.00 H +ATOM 17 N LEU A 2 -5.214 5.357 -1.714 1.00 0.00 N +ATOM 18 CA LEU A 2 -4.723 4.133 -2.374 1.00 0.00 C +ATOM 19 C LEU A 2 -4.072 3.112 -1.410 1.00 0.00 C +ATOM 20 O LEU A 2 -3.514 2.099 -1.824 1.00 0.00 O +ATOM 21 CB LEU A 2 -3.784 4.570 -3.527 1.00 0.00 C +ATOM 22 CG LEU A 2 -4.051 3.825 -4.857 1.00 0.00 C +ATOM 23 CD1 LEU A 2 -4.094 4.806 -6.033 1.00 0.00 C +ATOM 24 CD2 LEU A 2 -2.990 2.766 -5.156 1.00 0.00 C +ATOM 25 H LEU A 2 -4.694 6.204 -1.928 1.00 0.00 H +ATOM 26 HA LEU A 2 -5.592 3.628 -2.801 1.00 0.00 H +ATOM 27 HB2 LEU A 2 -3.918 5.621 -3.694 1.00 0.00 H +ATOM 28 HB3 LEU A 2 -2.742 4.452 -3.229 1.00 0.00 H +ATOM 29 HG LEU A 2 -5.023 3.338 -4.815 1.00 0.00 H +ATOM 30 HD11 LEU A 2 -4.920 5.505 -5.900 1.00 0.00 H +ATOM 31 HD12 LEU A 2 -3.158 5.361 -6.096 1.00 0.00 H +ATOM 32 HD13 LEU A 2 -4.250 4.259 -6.963 1.00 0.00 H +ATOM 33 HD21 LEU A 2 -2.068 3.238 -5.500 1.00 0.00 H +ATOM 34 HD22 LEU A 2 -2.771 2.189 -4.262 1.00 0.00 H +ATOM 35 HD23 LEU A 2 -3.360 2.093 -5.930 1.00 0.00 H +ATOM 36 N TYR A 3 -4.158 3.379 -0.100 1.00 0.00 N +ATOM 37 CA TYR A 3 -3.550 2.591 0.970 1.00 0.00 C +ATOM 38 C TYR A 3 -4.064 1.142 1.019 1.00 0.00 C +ATOM 39 O TYR A 3 -3.312 0.246 1.398 1.00 0.00 O +ATOM 40 CB TYR A 3 -3.780 3.308 2.312 1.00 0.00 C +ATOM 41 CG TYR A 3 -2.551 3.326 3.197 1.00 0.00 C +ATOM 42 CD1 TYR A 3 -2.261 2.225 4.024 1.00 0.00 C +ATOM 43 CD2 TYR A 3 -1.687 4.439 3.181 1.00 0.00 C +ATOM 44 CE1 TYR A 3 -1.106 2.230 4.829 1.00 0.00 C +ATOM 45 CE2 TYR A 3 -0.529 4.448 3.976 1.00 0.00 C +ATOM 46 CZ TYR A 3 -0.232 3.340 4.800 1.00 0.00 C +ATOM 47 OH TYR A 3 0.880 3.349 5.583 1.00 0.00 O +ATOM 48 H TYR A 3 -4.674 4.203 0.150 1.00 0.00 H +ATOM 49 HA TYR A 3 -2.477 2.550 0.784 1.00 0.00 H +ATOM 50 HB2 TYR A 3 -4.071 4.321 2.112 1.00 0.00 H +ATOM 51 HB3 TYR A 3 -4.604 2.835 2.848 1.00 0.00 H +ATOM 52 HD1 TYR A 3 -2.925 1.374 4.033 1.00 0.00 H +ATOM 53 HD2 TYR A 3 -1.899 5.294 2.555 1.00 0.00 H +ATOM 54 HE1 TYR A 3 -0.876 1.391 5.467 1.00 0.00 H +ATOM 55 HE2 TYR A 3 0.134 5.301 3.953 1.00 0.00 H +ATOM 56 HH TYR A 3 0.691 3.713 6.450 1.00 0.00 H +ATOM 57 N ILE A 4 -5.318 0.899 0.604 1.00 0.00 N +ATOM 58 CA ILE A 4 -5.916 -0.442 0.543 1.00 0.00 C +ATOM 59 C ILE A 4 -5.144 -1.321 -0.447 1.00 0.00 C +ATOM 60 O ILE A 4 -4.704 -2.405 -0.072 1.00 0.00 O +ATOM 61 CB ILE A 4 -7.426 -0.393 0.201 1.00 0.00 C +ATOM 62 CG1 ILE A 4 -8.210 0.560 1.137 1.00 0.00 C +ATOM 63 CG2 ILE A 4 -8.041 -1.802 0.286 1.00 0.00 C +ATOM 64 CD1 ILE A 4 -8.670 1.817 0.395 1.00 0.00 C +ATOM 65 H ILE A 4 -5.870 1.690 0.302 1.00 0.00 H +ATOM 66 HA ILE A 4 -5.811 -0.900 1.529 1.00 0.00 H +ATOM 67 HB ILE A 4 -7.537 -0.053 -0.832 1.00 0.00 H +ATOM 68 HG12 ILE A 4 -9.071 0.045 1.518 1.00 0.00 H +ATOM 69 HG13 ILE A 4 -7.591 0.854 1.986 1.00 0.00 H +ATOM 70 HG21 ILE A 4 -7.564 -2.474 -0.427 1.00 0.00 H +ATOM 71 HG22 ILE A 4 -7.920 -2.203 1.294 1.00 0.00 H +ATOM 72 HG23 ILE A 4 -9.103 -1.755 0.046 1.00 0.00 H +ATOM 73 HD11 ILE A 4 -7.834 2.238 -0.159 1.00 0.00 H +ATOM 74 HD12 ILE A 4 -9.467 1.560 -0.304 1.00 0.00 H +ATOM 75 HD13 ILE A 4 -9.041 2.553 1.108 1.00 0.00 H +ATOM 76 N GLN A 5 -4.941 -0.843 -1.684 1.00 0.00 N +ATOM 77 CA GLN A 5 -4.117 -1.514 -2.693 1.00 0.00 C +ATOM 78 C GLN A 5 -2.686 -1.746 -2.187 1.00 0.00 C +ATOM 79 O GLN A 5 -2.209 -2.879 -2.229 1.00 0.00 O +ATOM 80 CB GLN A 5 -4.134 -0.708 -4.002 1.00 0.00 C +ATOM 81 CG GLN A 5 -5.442 -0.901 -4.795 1.00 0.00 C +ATOM 82 CD GLN A 5 -6.166 0.412 -5.082 1.00 0.00 C +ATOM 83 OE1 GLN A 5 -6.464 1.188 -4.184 1.00 0.00 O +ATOM 84 NE2 GLN A 5 -6.497 0.688 -6.330 1.00 0.00 N +ATOM 85 H GLN A 5 -5.307 0.072 -1.913 1.00 0.00 H +ATOM 86 HA GLN A 5 -4.539 -2.498 -2.896 1.00 0.00 H +ATOM 87 HB2 GLN A 5 -4.024 0.333 -3.767 1.00 0.00 H +ATOM 88 HB3 GLN A 5 -3.302 -1.031 -4.631 1.00 0.00 H +ATOM 89 HG2 GLN A 5 -5.209 -1.374 -5.729 1.00 0.00 H +ATOM 90 HG3 GLN A 5 -6.129 -1.543 -4.244 1.00 0.00 H +ATOM 91 HE21 GLN A 5 -6.283 0.067 -7.093 1.00 0.00 H +ATOM 92 HE22 GLN A 5 -7.002 1.548 -6.458 1.00 0.00 H +ATOM 93 N TRP A 6 -2.034 -0.709 -1.645 1.00 0.00 N +ATOM 94 CA TRP A 6 -0.678 -0.829 -1.093 1.00 0.00 C +ATOM 95 C TRP A 6 -0.567 -1.888 0.023 1.00 0.00 C +ATOM 96 O TRP A 6 0.376 -2.684 0.030 1.00 0.00 O +ATOM 97 CB TRP A 6 -0.200 0.546 -0.612 1.00 0.00 C +ATOM 98 CG TRP A 6 1.200 0.544 -0.082 1.00 0.00 C +ATOM 99 CD1 TRP A 6 2.322 0.559 -0.836 1.00 0.00 C +ATOM 100 CD2 TRP A 6 1.651 0.467 1.306 1.00 0.00 C +ATOM 101 NE1 TRP A 6 3.427 0.481 -0.014 1.00 0.00 N +ATOM 102 CE2 TRP A 6 3.075 0.428 1.313 1.00 0.00 C +ATOM 103 CE3 TRP A 6 1.006 0.418 2.560 1.00 0.00 C +ATOM 104 CZ2 TRP A 6 3.828 0.362 2.492 1.00 0.00 C +ATOM 105 CZ3 TRP A 6 1.749 0.341 3.754 1.00 0.00 C +ATOM 106 CH2 TRP A 6 3.155 0.321 3.723 1.00 0.00 C +ATOM 107 H TRP A 6 -2.492 0.198 -1.645 1.00 0.00 H +ATOM 108 HA TRP A 6 -0.016 -1.157 -1.898 1.00 0.00 H +ATOM 109 HB2 TRP A 6 -0.249 1.230 -1.438 1.00 0.00 H +ATOM 110 HB3 TRP A 6 -0.866 0.904 0.171 1.00 0.00 H +ATOM 111 HD1 TRP A 6 2.344 0.600 -1.918 1.00 0.00 H +ATOM 112 HE1 TRP A 6 4.399 0.465 -0.330 1.00 0.00 H +ATOM 113 HE3 TRP A 6 -0.073 0.449 2.593 1.00 0.00 H +ATOM 114 HZ2 TRP A 6 4.906 0.339 2.439 1.00 0.00 H +ATOM 115 HZ3 TRP A 6 1.239 0.310 4.706 1.00 0.00 H +ATOM 116 HH2 TRP A 6 3.716 0.279 4.647 1.00 0.00 H +ATOM 117 N LEU A 7 -1.531 -1.946 0.950 1.00 0.00 N +ATOM 118 CA LEU A 7 -1.587 -3.012 1.954 1.00 0.00 C +ATOM 119 C LEU A 7 -1.883 -4.387 1.338 1.00 0.00 C +ATOM 120 O LEU A 7 -1.259 -5.363 1.752 1.00 0.00 O +ATOM 121 CB LEU A 7 -2.605 -2.670 3.056 1.00 0.00 C +ATOM 122 CG LEU A 7 -2.118 -1.596 4.051 1.00 0.00 C +ATOM 123 CD1 LEU A 7 -3.255 -1.244 5.014 1.00 0.00 C +ATOM 124 CD2 LEU A 7 -0.920 -2.061 4.892 1.00 0.00 C +ATOM 125 H LEU A 7 -2.264 -1.238 0.941 1.00 0.00 H +ATOM 126 HA LEU A 7 -0.599 -3.102 2.404 1.00 0.00 H +ATOM 127 HB2 LEU A 7 -3.502 -2.314 2.587 1.00 0.00 H +ATOM 128 HB3 LEU A 7 -2.828 -3.576 3.621 1.00 0.00 H +ATOM 129 HG LEU A 7 -1.835 -0.698 3.507 1.00 0.00 H +ATOM 130 HD11 LEU A 7 -4.107 -0.863 4.451 1.00 0.00 H +ATOM 131 HD12 LEU A 7 -3.559 -2.129 5.572 1.00 0.00 H +ATOM 132 HD13 LEU A 7 -2.924 -0.478 5.716 1.00 0.00 H +ATOM 133 HD21 LEU A 7 -1.159 -2.994 5.401 1.00 0.00 H +ATOM 134 HD22 LEU A 7 -0.046 -2.207 4.261 1.00 0.00 H +ATOM 135 HD23 LEU A 7 -0.673 -1.303 5.635 1.00 0.00 H +ATOM 136 N LYS A 8 -2.772 -4.477 0.334 1.00 0.00 N +ATOM 137 CA LYS A 8 -3.105 -5.716 -0.398 1.00 0.00 C +ATOM 138 C LYS A 8 -1.879 -6.425 -0.982 1.00 0.00 C +ATOM 139 O LYS A 8 -1.855 -7.653 -0.986 1.00 0.00 O +ATOM 140 CB LYS A 8 -4.125 -5.413 -1.517 1.00 0.00 C +ATOM 141 CG LYS A 8 -5.509 -6.032 -1.296 1.00 0.00 C +ATOM 142 CD LYS A 8 -5.571 -7.539 -1.610 1.00 0.00 C +ATOM 143 CE LYS A 8 -6.790 -7.876 -2.484 1.00 0.00 C +ATOM 144 NZ LYS A 8 -6.467 -7.814 -3.931 1.00 0.00 N +ATOM 145 H LYS A 8 -3.262 -3.623 0.071 1.00 0.00 H +ATOM 146 HA LYS A 8 -3.545 -6.418 0.311 1.00 0.00 H +ATOM 147 HB2 LYS A 8 -4.241 -4.349 -1.587 1.00 0.00 H +ATOM 148 HB3 LYS A 8 -3.737 -5.743 -2.483 1.00 0.00 H +ATOM 149 HG2 LYS A 8 -5.784 -5.888 -0.269 1.00 0.00 H +ATOM 150 HG3 LYS A 8 -6.212 -5.498 -1.938 1.00 0.00 H +ATOM 151 HD2 LYS A 8 -4.677 -7.825 -2.131 1.00 0.00 H +ATOM 152 HD3 LYS A 8 -5.653 -8.084 -0.669 1.00 0.00 H +ATOM 153 HE2 LYS A 8 -7.125 -8.867 -2.245 1.00 0.00 H +ATOM 154 HE3 LYS A 8 -7.598 -7.177 -2.246 1.00 0.00 H +ATOM 155 HZ1 LYS A 8 -6.123 -6.897 -4.179 1.00 0.00 H +ATOM 156 HZ2 LYS A 8 -5.753 -8.496 -4.155 1.00 0.00 H +ATOM 157 HZ3 LYS A 8 -7.289 -8.017 -4.487 1.00 0.00 H +ATOM 158 N ASP A 9 -0.876 -5.673 -1.449 1.00 0.00 N +ATOM 159 CA ASP A 9 0.398 -6.223 -1.930 1.00 0.00 C +ATOM 160 C ASP A 9 1.311 -6.762 -0.805 1.00 0.00 C +ATOM 161 O ASP A 9 2.203 -7.564 -1.082 1.00 0.00 O +ATOM 162 CB ASP A 9 1.147 -5.144 -2.731 1.00 0.00 C +ATOM 163 CG ASP A 9 0.467 -4.801 -4.061 1.00 0.00 C +ATOM 164 OD1 ASP A 9 0.157 -5.754 -4.813 1.00 0.00 O +ATOM 165 OD2 ASP A 9 0.290 -3.591 -4.324 1.00 0.00 O +ATOM 166 H ASP A 9 -1.030 -4.670 -1.499 1.00 0.00 H +ATOM 167 HA ASP A 9 0.195 -7.060 -2.600 1.00 0.00 H +ATOM 168 HB2 ASP A 9 1.201 -4.253 -2.136 1.00 0.00 H +ATOM 169 HB3 ASP A 9 2.152 -5.505 -2.957 1.00 0.00 H +ATOM 170 N GLY A 10 1.096 -6.352 0.456 1.00 0.00 N +ATOM 171 CA GLY A 10 1.939 -6.705 1.606 1.00 0.00 C +ATOM 172 C GLY A 10 2.565 -5.512 2.347 1.00 0.00 C +ATOM 173 O GLY A 10 3.435 -5.730 3.206 1.00 0.00 O +ATOM 174 H GLY A 10 0.261 -5.800 0.631 1.00 0.00 H +ATOM 175 HA2 GLY A 10 1.326 -7.256 2.320 1.00 0.00 H +ATOM 176 HA3 GLY A 10 2.746 -7.365 1.289 1.00 0.00 H +ATOM 177 N GLY A 11 2.176 -4.272 2.029 1.00 0.00 N +ATOM 178 CA GLY A 11 2.626 -3.057 2.710 1.00 0.00 C +ATOM 179 C GLY A 11 4.158 -2.915 2.747 1.00 0.00 C +ATOM 180 O GLY A 11 4.789 -2.963 1.691 1.00 0.00 O +ATOM 181 H GLY A 11 1.547 -4.148 1.241 1.00 0.00 H +ATOM 182 HA2 GLY A 11 2.223 -2.195 2.180 1.00 0.00 H +ATOM 183 HA3 GLY A 11 2.209 -3.058 3.715 1.00 0.00 H +ATOM 184 N PRO A 12 4.800 -2.763 3.930 1.00 0.00 N +ATOM 185 CA PRO A 12 6.259 -2.630 4.030 1.00 0.00 C +ATOM 186 C PRO A 12 7.037 -3.777 3.366 1.00 0.00 C +ATOM 187 O PRO A 12 8.146 -3.571 2.879 1.00 0.00 O +ATOM 188 CB PRO A 12 6.578 -2.563 5.529 1.00 0.00 C +ATOM 189 CG PRO A 12 5.267 -2.123 6.174 1.00 0.00 C +ATOM 190 CD PRO A 12 4.203 -2.726 5.258 1.00 0.00 C +ATOM 191 HA PRO A 12 6.554 -1.691 3.560 1.00 0.00 H +ATOM 192 HB2 PRO A 12 6.879 -3.525 5.897 1.00 0.00 H +ATOM 193 HB3 PRO A 12 7.381 -1.855 5.734 1.00 0.00 H +ATOM 194 HG2 PRO A 12 5.180 -2.511 7.171 1.00 0.00 H +ATOM 195 HG3 PRO A 12 5.195 -1.035 6.150 1.00 0.00 H +ATOM 196 HD2 PRO A 12 3.949 -3.717 5.582 1.00 0.00 H +ATOM 197 HD3 PRO A 12 3.303 -2.112 5.287 1.00 0.00 H +ATOM 198 N SER A 13 6.444 -4.979 3.307 1.00 0.00 N +ATOM 199 CA SER A 13 7.043 -6.156 2.670 1.00 0.00 C +ATOM 200 C SER A 13 6.983 -6.137 1.130 1.00 0.00 C +ATOM 201 O SER A 13 7.548 -7.021 0.494 1.00 0.00 O +ATOM 202 CB SER A 13 6.428 -7.435 3.253 1.00 0.00 C +ATOM 203 OG SER A 13 5.089 -7.644 2.842 1.00 0.00 O +ATOM 204 H SER A 13 5.500 -5.052 3.666 1.00 0.00 H +ATOM 205 HA SER A 13 8.101 -6.173 2.933 1.00 0.00 H +ATOM 206 HB2 SER A 13 7.018 -8.273 2.935 1.00 0.00 H +ATOM 207 HB3 SER A 13 6.467 -7.386 4.343 1.00 0.00 H +ATOM 208 HG SER A 13 4.507 -6.893 3.104 1.00 0.00 H +ATOM 209 N SER A 14 6.343 -5.125 0.518 1.00 0.00 N +ATOM 210 CA SER A 14 6.214 -4.963 -0.941 1.00 0.00 C +ATOM 211 C SER A 14 7.325 -4.127 -1.595 1.00 0.00 C +ATOM 212 O SER A 14 7.306 -3.936 -2.809 1.00 0.00 O +ATOM 213 CB SER A 14 4.882 -4.280 -1.265 1.00 0.00 C +ATOM 214 OG SER A 14 3.823 -4.982 -0.663 1.00 0.00 O +ATOM 215 H SER A 14 5.902 -4.413 1.097 1.00 0.00 H +ATOM 216 HA SER A 14 6.217 -5.946 -1.415 1.00 0.00 H +ATOM 217 HB2 SER A 14 4.899 -3.274 -0.893 1.00 0.00 H +ATOM 218 HB3 SER A 14 4.731 -4.256 -2.345 1.00 0.00 H +ATOM 219 HG SER A 14 4.199 -5.674 -0.113 1.00 0.00 H +ATOM 220 N GLY A 15 8.258 -3.554 -0.822 1.00 0.00 N +ATOM 221 CA GLY A 15 9.356 -2.717 -1.330 1.00 0.00 C +ATOM 222 C GLY A 15 8.956 -1.287 -1.733 1.00 0.00 C +ATOM 223 O GLY A 15 9.753 -0.366 -1.564 1.00 0.00 O +ATOM 224 H GLY A 15 8.204 -3.723 0.175 1.00 0.00 H +ATOM 225 HA2 GLY A 15 10.135 -2.654 -0.570 1.00 0.00 H +ATOM 226 HA3 GLY A 15 9.789 -3.199 -2.207 1.00 0.00 H +ATOM 227 N ARG A 16 7.740 -1.078 -2.255 1.00 0.00 N +ATOM 228 CA ARG A 16 7.196 0.244 -2.606 1.00 0.00 C +ATOM 229 C ARG A 16 6.800 1.026 -1.334 1.00 0.00 C +ATOM 230 O ARG A 16 6.153 0.438 -0.465 1.00 0.00 O +ATOM 231 CB ARG A 16 6.004 0.043 -3.562 1.00 0.00 C +ATOM 232 CG ARG A 16 5.598 1.337 -4.286 1.00 0.00 C +ATOM 233 CD ARG A 16 4.649 1.070 -5.464 1.00 0.00 C +ATOM 234 NE ARG A 16 5.376 0.549 -6.647 1.00 0.00 N +ATOM 235 CZ ARG A 16 5.988 1.239 -7.584 1.00 0.00 C +ATOM 236 NH1 ARG A 16 6.011 2.568 -7.581 1.00 0.00 N +ATOM 237 NH2 ARG A 16 6.613 0.642 -8.574 1.00 0.00 N +ATOM 238 H ARG A 16 7.177 -1.909 -2.406 1.00 0.00 H +ATOM 239 HA ARG A 16 7.984 0.785 -3.128 1.00 0.00 H +ATOM 240 HB2 ARG A 16 6.273 -0.691 -4.297 1.00 0.00 H +ATOM 241 HB3 ARG A 16 5.146 -0.347 -3.007 1.00 0.00 H +ATOM 242 HG2 ARG A 16 5.106 1.985 -3.586 1.00 0.00 H +ATOM 243 HG3 ARG A 16 6.488 1.833 -4.670 1.00 0.00 H +ATOM 244 HD2 ARG A 16 3.914 0.349 -5.162 1.00 0.00 H +ATOM 245 HD3 ARG A 16 4.142 2.000 -5.728 1.00 0.00 H +ATOM 246 HE ARG A 16 5.404 -0.458 -6.736 1.00 0.00 H +ATOM 247 HH11 ARG A 16 5.535 3.037 -6.833 1.00 0.00 H +ATOM 248 HH12 ARG A 16 6.471 3.081 -8.301 1.00 0.00 H +ATOM 249 HH21 ARG A 16 6.628 -0.366 -8.623 1.00 0.00 H +ATOM 250 HH22 ARG A 16 7.076 1.176 -9.280 1.00 0.00 H +ATOM 251 N PRO A 17 7.126 2.330 -1.200 1.00 0.00 N +ATOM 252 CA PRO A 17 6.809 3.113 0.002 1.00 0.00 C +ATOM 253 C PRO A 17 5.294 3.369 0.169 1.00 0.00 C +ATOM 254 O PRO A 17 4.551 3.273 -0.812 1.00 0.00 O +ATOM 255 CB PRO A 17 7.588 4.425 -0.160 1.00 0.00 C +ATOM 256 CG PRO A 17 7.688 4.594 -1.672 1.00 0.00 C +ATOM 257 CD PRO A 17 7.850 3.156 -2.157 1.00 0.00 C +ATOM 258 HA PRO A 17 7.177 2.582 0.880 1.00 0.00 H +ATOM 259 HB2 PRO A 17 7.056 5.245 0.283 1.00 0.00 H +ATOM 260 HB3 PRO A 17 8.589 4.309 0.258 1.00 0.00 H +ATOM 261 HG2 PRO A 17 6.798 5.040 -2.072 1.00 0.00 H +ATOM 262 HG3 PRO A 17 8.535 5.216 -1.960 1.00 0.00 H +ATOM 263 HD2 PRO A 17 7.432 3.044 -3.139 1.00 0.00 H +ATOM 264 HD3 PRO A 17 8.905 2.879 -2.151 1.00 0.00 H +ATOM 265 N PRO A 18 4.828 3.720 1.386 1.00 0.00 N +ATOM 266 CA PRO A 18 3.415 3.979 1.661 1.00 0.00 C +ATOM 267 C PRO A 18 2.921 5.257 0.956 1.00 0.00 C +ATOM 268 O PRO A 18 3.633 6.262 0.960 1.00 0.00 O +ATOM 269 CB PRO A 18 3.307 4.111 3.185 1.00 0.00 C +ATOM 270 CG PRO A 18 4.701 4.568 3.609 1.00 0.00 C +ATOM 271 CD PRO A 18 5.614 3.867 2.605 1.00 0.00 C +ATOM 272 HA PRO A 18 2.830 3.121 1.340 1.00 0.00 H +ATOM 273 HB2 PRO A 18 2.567 4.840 3.454 1.00 0.00 H +ATOM 274 HB3 PRO A 18 3.099 3.135 3.621 1.00 0.00 H +ATOM 275 HG2 PRO A 18 4.796 5.634 3.537 1.00 0.00 H +ATOM 276 HG3 PRO A 18 4.929 4.279 4.636 1.00 0.00 H +ATOM 277 HD2 PRO A 18 6.488 4.461 2.417 1.00 0.00 H +ATOM 278 HD3 PRO A 18 5.884 2.880 2.982 1.00 0.00 H +ATOM 279 N PRO A 19 1.704 5.254 0.376 1.00 0.00 N +ATOM 280 CA PRO A 19 1.131 6.433 -0.268 1.00 0.00 C +ATOM 281 C PRO A 19 0.578 7.422 0.772 1.00 0.00 C +ATOM 282 O PRO A 19 -0.096 7.022 1.725 1.00 0.00 O +ATOM 283 CB PRO A 19 0.032 5.878 -1.180 1.00 0.00 C +ATOM 284 CG PRO A 19 -0.464 4.639 -0.433 1.00 0.00 C +ATOM 285 CD PRO A 19 0.792 4.121 0.270 1.00 0.00 C +ATOM 286 HA PRO A 19 1.886 6.934 -0.875 1.00 0.00 H +ATOM 287 HB2 PRO A 19 -0.759 6.592 -1.305 1.00 0.00 H +ATOM 288 HB3 PRO A 19 0.474 5.572 -2.129 1.00 0.00 H +ATOM 289 HG2 PRO A 19 -1.223 4.899 0.279 1.00 0.00 H +ATOM 290 HG3 PRO A 19 -0.879 3.897 -1.115 1.00 0.00 H +ATOM 291 HD2 PRO A 19 0.545 3.752 1.247 1.00 0.00 H +ATOM 292 HD3 PRO A 19 1.257 3.344 -0.337 1.00 0.00 H +ATOM 293 N SER A 20 0.825 8.716 0.549 1.00 0.00 N +ATOM 294 CA SER A 20 0.360 9.847 1.362 1.00 0.00 C +ATOM 295 C SER A 20 -0.255 10.948 0.496 1.00 0.00 C +ATOM 296 O SER A 20 0.173 11.092 -0.672 1.00 0.00 O +ATOM 297 CB SER A 20 1.496 10.383 2.241 1.00 0.00 C +ATOM 298 OG SER A 20 2.667 10.641 1.485 1.00 0.00 O +ATOM 299 OXT SER A 20 -1.188 11.592 1.023 1.00 0.00 O +ATOM 300 H SER A 20 1.372 9.005 -0.251 1.00 0.00 H +ATOM 301 HA SER A 20 -0.439 9.514 2.020 1.00 0.00 H +ATOM 302 HB2 SER A 20 1.175 11.295 2.707 1.00 0.00 H +ATOM 303 HB3 SER A 20 1.726 9.639 3.008 1.00 0.00 H +ATOM 304 HG SER A 20 3.313 11.084 2.036 1.00 0.00 H +TER 305 SER A 20 +ENDMDL +MODEL 32 +ATOM 1 N ASN A 1 -6.852 6.802 0.784 1.00 0.00 N +ATOM 2 CA ASN A 1 -7.569 5.905 -0.155 1.00 0.00 C +ATOM 3 C ASN A 1 -6.675 4.784 -0.685 1.00 0.00 C +ATOM 4 O ASN A 1 -6.907 3.637 -0.312 1.00 0.00 O +ATOM 5 CB ASN A 1 -8.306 6.688 -1.259 1.00 0.00 C +ATOM 6 CG ASN A 1 -9.658 7.144 -0.720 1.00 0.00 C +ATOM 7 OD1 ASN A 1 -10.402 6.342 -0.185 1.00 0.00 O +ATOM 8 ND2 ASN A 1 -9.997 8.418 -0.771 1.00 0.00 N +ATOM 9 H1 ASN A 1 -6.406 6.262 1.512 1.00 0.00 H +ATOM 10 H2 ASN A 1 -6.150 7.342 0.294 1.00 0.00 H +ATOM 11 H3 ASN A 1 -7.507 7.441 1.214 1.00 0.00 H +ATOM 12 HA ASN A 1 -8.341 5.383 0.416 1.00 0.00 H +ATOM 13 HB2 ASN A 1 -7.724 7.543 -1.544 1.00 0.00 H +ATOM 14 HB3 ASN A 1 -8.496 6.032 -2.110 1.00 0.00 H +ATOM 15 HD21 ASN A 1 -9.452 9.144 -1.207 1.00 0.00 H +ATOM 16 HD22 ASN A 1 -10.916 8.601 -0.396 1.00 0.00 H +ATOM 17 N LEU A 2 -5.641 5.081 -1.489 1.00 0.00 N +ATOM 18 CA LEU A 2 -4.771 4.070 -2.118 1.00 0.00 C +ATOM 19 C LEU A 2 -4.066 3.118 -1.122 1.00 0.00 C +ATOM 20 O LEU A 2 -3.610 2.044 -1.507 1.00 0.00 O +ATOM 21 CB LEU A 2 -3.736 4.788 -3.009 1.00 0.00 C +ATOM 22 CG LEU A 2 -3.207 3.896 -4.155 1.00 0.00 C +ATOM 23 CD1 LEU A 2 -4.121 3.970 -5.385 1.00 0.00 C +ATOM 24 CD2 LEU A 2 -1.783 4.286 -4.551 1.00 0.00 C +ATOM 25 H LEU A 2 -5.488 6.032 -1.793 1.00 0.00 H +ATOM 26 HA LEU A 2 -5.401 3.449 -2.761 1.00 0.00 H +ATOM 27 HB2 LEU A 2 -4.197 5.657 -3.437 1.00 0.00 H +ATOM 28 HB3 LEU A 2 -2.911 5.107 -2.379 1.00 0.00 H +ATOM 29 HG LEU A 2 -3.172 2.861 -3.826 1.00 0.00 H +ATOM 30 HD11 LEU A 2 -5.104 4.362 -5.124 1.00 0.00 H +ATOM 31 HD12 LEU A 2 -3.683 4.602 -6.157 1.00 0.00 H +ATOM 32 HD13 LEU A 2 -4.253 2.966 -5.790 1.00 0.00 H +ATOM 33 HD21 LEU A 2 -1.718 5.358 -4.736 1.00 0.00 H +ATOM 34 HD22 LEU A 2 -1.099 4.008 -3.752 1.00 0.00 H +ATOM 35 HD23 LEU A 2 -1.488 3.743 -5.449 1.00 0.00 H +ATOM 36 N TYR A 3 -4.017 3.470 0.169 1.00 0.00 N +ATOM 37 CA TYR A 3 -3.452 2.660 1.248 1.00 0.00 C +ATOM 38 C TYR A 3 -4.002 1.221 1.271 1.00 0.00 C +ATOM 39 O TYR A 3 -3.253 0.284 1.527 1.00 0.00 O +ATOM 40 CB TYR A 3 -3.690 3.373 2.590 1.00 0.00 C +ATOM 41 CG TYR A 3 -2.578 3.161 3.597 1.00 0.00 C +ATOM 42 CD1 TYR A 3 -2.514 1.966 4.339 1.00 0.00 C +ATOM 43 CD2 TYR A 3 -1.601 4.161 3.787 1.00 0.00 C +ATOM 44 CE1 TYR A 3 -1.479 1.768 5.270 1.00 0.00 C +ATOM 45 CE2 TYR A 3 -0.567 3.969 4.722 1.00 0.00 C +ATOM 46 CZ TYR A 3 -0.503 2.769 5.464 1.00 0.00 C +ATOM 47 OH TYR A 3 0.485 2.574 6.378 1.00 0.00 O +ATOM 48 H TYR A 3 -4.399 4.368 0.410 1.00 0.00 H +ATOM 49 HA TYR A 3 -2.376 2.600 1.088 1.00 0.00 H +ATOM 50 HB2 TYR A 3 -3.782 4.426 2.403 1.00 0.00 H +ATOM 51 HB3 TYR A 3 -4.635 3.037 3.021 1.00 0.00 H +ATOM 52 HD1 TYR A 3 -3.259 1.196 4.191 1.00 0.00 H +ATOM 53 HD2 TYR A 3 -1.635 5.081 3.217 1.00 0.00 H +ATOM 54 HE1 TYR A 3 -1.416 0.856 5.843 1.00 0.00 H +ATOM 55 HE2 TYR A 3 0.180 4.734 4.872 1.00 0.00 H +ATOM 56 HH TYR A 3 0.286 3.012 7.208 1.00 0.00 H +ATOM 57 N ILE A 4 -5.291 1.031 0.946 1.00 0.00 N +ATOM 58 CA ILE A 4 -5.931 -0.293 0.853 1.00 0.00 C +ATOM 59 C ILE A 4 -5.280 -1.132 -0.262 1.00 0.00 C +ATOM 60 O ILE A 4 -4.975 -2.308 -0.057 1.00 0.00 O +ATOM 61 CB ILE A 4 -7.452 -0.139 0.612 1.00 0.00 C +ATOM 62 CG1 ILE A 4 -8.150 0.694 1.716 1.00 0.00 C +ATOM 63 CG2 ILE A 4 -8.133 -1.519 0.519 1.00 0.00 C +ATOM 64 CD1 ILE A 4 -9.405 1.406 1.195 1.00 0.00 C +ATOM 65 H ILE A 4 -5.843 1.851 0.722 1.00 0.00 H +ATOM 66 HA ILE A 4 -5.780 -0.822 1.794 1.00 0.00 H +ATOM 67 HB ILE A 4 -7.585 0.372 -0.343 1.00 0.00 H +ATOM 68 HG12 ILE A 4 -8.432 0.039 2.518 1.00 0.00 H +ATOM 69 HG13 ILE A 4 -7.485 1.468 2.099 1.00 0.00 H +ATOM 70 HG21 ILE A 4 -7.763 -2.077 -0.343 1.00 0.00 H +ATOM 71 HG22 ILE A 4 -7.934 -2.097 1.423 1.00 0.00 H +ATOM 72 HG23 ILE A 4 -9.211 -1.406 0.405 1.00 0.00 H +ATOM 73 HD11 ILE A 4 -9.143 2.050 0.354 1.00 0.00 H +ATOM 74 HD12 ILE A 4 -10.152 0.681 0.875 1.00 0.00 H +ATOM 75 HD13 ILE A 4 -9.826 2.022 1.989 1.00 0.00 H +ATOM 76 N GLN A 5 -5.043 -0.527 -1.433 1.00 0.00 N +ATOM 77 CA GLN A 5 -4.319 -1.165 -2.532 1.00 0.00 C +ATOM 78 C GLN A 5 -2.856 -1.426 -2.147 1.00 0.00 C +ATOM 79 O GLN A 5 -2.382 -2.537 -2.342 1.00 0.00 O +ATOM 80 CB GLN A 5 -4.432 -0.330 -3.822 1.00 0.00 C +ATOM 81 CG GLN A 5 -5.812 -0.453 -4.498 1.00 0.00 C +ATOM 82 CD GLN A 5 -6.574 0.869 -4.544 1.00 0.00 C +ATOM 83 OE1 GLN A 5 -6.511 1.619 -5.500 1.00 0.00 O +ATOM 84 NE2 GLN A 5 -7.337 1.205 -3.520 1.00 0.00 N +ATOM 85 H GLN A 5 -5.183 0.474 -1.483 1.00 0.00 H +ATOM 86 HA GLN A 5 -4.763 -2.143 -2.723 1.00 0.00 H +ATOM 87 HB2 GLN A 5 -4.261 0.701 -3.579 1.00 0.00 H +ATOM 88 HB3 GLN A 5 -3.682 -0.687 -4.528 1.00 0.00 H +ATOM 89 HG2 GLN A 5 -5.671 -0.801 -5.503 1.00 0.00 H +ATOM 90 HG3 GLN A 5 -6.424 -1.202 -3.994 1.00 0.00 H +ATOM 91 HE21 GLN A 5 -7.488 0.604 -2.731 1.00 0.00 H +ATOM 92 HE22 GLN A 5 -7.851 2.055 -3.678 1.00 0.00 H +ATOM 93 N TRP A 6 -2.161 -0.464 -1.529 1.00 0.00 N +ATOM 94 CA TRP A 6 -0.783 -0.667 -1.057 1.00 0.00 C +ATOM 95 C TRP A 6 -0.645 -1.797 -0.021 1.00 0.00 C +ATOM 96 O TRP A 6 0.314 -2.570 -0.062 1.00 0.00 O +ATOM 97 CB TRP A 6 -0.249 0.652 -0.495 1.00 0.00 C +ATOM 98 CG TRP A 6 1.135 0.570 0.072 1.00 0.00 C +ATOM 99 CD1 TRP A 6 2.275 0.562 -0.652 1.00 0.00 C +ATOM 100 CD2 TRP A 6 1.545 0.458 1.469 1.00 0.00 C +ATOM 101 NE1 TRP A 6 3.360 0.439 0.197 1.00 0.00 N +ATOM 102 CE2 TRP A 6 2.968 0.390 1.513 1.00 0.00 C +ATOM 103 CE3 TRP A 6 0.867 0.423 2.708 1.00 0.00 C +ATOM 104 CZ2 TRP A 6 3.691 0.320 2.711 1.00 0.00 C +ATOM 105 CZ3 TRP A 6 1.580 0.342 3.919 1.00 0.00 C +ATOM 106 CH2 TRP A 6 2.987 0.304 3.924 1.00 0.00 C +ATOM 107 H TRP A 6 -2.607 0.442 -1.410 1.00 0.00 H +ATOM 108 HA TRP A 6 -0.164 -0.953 -1.911 1.00 0.00 H +ATOM 109 HB2 TRP A 6 -0.245 1.376 -1.287 1.00 0.00 H +ATOM 110 HB3 TRP A 6 -0.917 0.998 0.291 1.00 0.00 H +ATOM 111 HD1 TRP A 6 2.321 0.634 -1.731 1.00 0.00 H +ATOM 112 HE1 TRP A 6 4.338 0.431 -0.094 1.00 0.00 H +ATOM 113 HE3 TRP A 6 -0.213 0.476 2.719 1.00 0.00 H +ATOM 114 HZ2 TRP A 6 4.771 0.289 2.684 1.00 0.00 H +ATOM 115 HZ3 TRP A 6 1.047 0.329 4.859 1.00 0.00 H +ATOM 116 HH2 TRP A 6 3.522 0.272 4.860 1.00 0.00 H +ATOM 117 N LEU A 7 -1.613 -1.946 0.894 1.00 0.00 N +ATOM 118 CA LEU A 7 -1.654 -3.093 1.806 1.00 0.00 C +ATOM 119 C LEU A 7 -1.835 -4.426 1.058 1.00 0.00 C +ATOM 120 O LEU A 7 -1.246 -5.420 1.478 1.00 0.00 O +ATOM 121 CB LEU A 7 -2.752 -2.898 2.866 1.00 0.00 C +ATOM 122 CG LEU A 7 -2.416 -1.848 3.943 1.00 0.00 C +ATOM 123 CD1 LEU A 7 -3.648 -1.629 4.827 1.00 0.00 C +ATOM 124 CD2 LEU A 7 -1.246 -2.272 4.838 1.00 0.00 C +ATOM 125 H LEU A 7 -2.340 -1.237 0.952 1.00 0.00 H +ATOM 126 HA LEU A 7 -0.691 -3.164 2.309 1.00 0.00 H +ATOM 127 HB2 LEU A 7 -3.651 -2.591 2.366 1.00 0.00 H +ATOM 128 HB3 LEU A 7 -2.928 -3.852 3.365 1.00 0.00 H +ATOM 129 HG LEU A 7 -2.156 -0.903 3.474 1.00 0.00 H +ATOM 130 HD11 LEU A 7 -4.482 -1.286 4.215 1.00 0.00 H +ATOM 131 HD12 LEU A 7 -3.923 -2.562 5.321 1.00 0.00 H +ATOM 132 HD13 LEU A 7 -3.435 -0.875 5.585 1.00 0.00 H +ATOM 133 HD21 LEU A 7 -1.429 -3.262 5.255 1.00 0.00 H +ATOM 134 HD22 LEU A 7 -0.321 -2.286 4.263 1.00 0.00 H +ATOM 135 HD23 LEU A 7 -1.123 -1.560 5.652 1.00 0.00 H +ATOM 136 N LYS A 8 -2.573 -4.450 -0.065 1.00 0.00 N +ATOM 137 CA LYS A 8 -2.753 -5.637 -0.920 1.00 0.00 C +ATOM 138 C LYS A 8 -1.423 -6.194 -1.444 1.00 0.00 C +ATOM 139 O LYS A 8 -1.285 -7.410 -1.532 1.00 0.00 O +ATOM 140 CB LYS A 8 -3.680 -5.295 -2.099 1.00 0.00 C +ATOM 141 CG LYS A 8 -4.298 -6.504 -2.814 1.00 0.00 C +ATOM 142 CD LYS A 8 -5.536 -7.065 -2.098 1.00 0.00 C +ATOM 143 CE LYS A 8 -6.303 -8.006 -3.036 1.00 0.00 C +ATOM 144 NZ LYS A 8 -7.007 -7.254 -4.106 1.00 0.00 N +ATOM 145 H LYS A 8 -2.995 -3.577 -0.362 1.00 0.00 H +ATOM 146 HA LYS A 8 -3.211 -6.421 -0.316 1.00 0.00 H +ATOM 147 HB2 LYS A 8 -4.480 -4.685 -1.727 1.00 0.00 H +ATOM 148 HB3 LYS A 8 -3.094 -4.770 -2.849 1.00 0.00 H +ATOM 149 HG2 LYS A 8 -4.583 -6.205 -3.804 1.00 0.00 H +ATOM 150 HG3 LYS A 8 -3.557 -7.296 -2.934 1.00 0.00 H +ATOM 151 HD2 LYS A 8 -5.227 -7.608 -1.225 1.00 0.00 H +ATOM 152 HD3 LYS A 8 -6.190 -6.253 -1.779 1.00 0.00 H +ATOM 153 HE2 LYS A 8 -5.610 -8.689 -3.488 1.00 0.00 H +ATOM 154 HE3 LYS A 8 -7.027 -8.580 -2.453 1.00 0.00 H +ATOM 155 HZ1 LYS A 8 -7.790 -6.744 -3.720 1.00 0.00 H +ATOM 156 HZ2 LYS A 8 -6.372 -6.589 -4.533 1.00 0.00 H +ATOM 157 HZ3 LYS A 8 -7.345 -7.883 -4.822 1.00 0.00 H +ATOM 158 N ASP A 9 -0.447 -5.329 -1.753 1.00 0.00 N +ATOM 159 CA ASP A 9 0.910 -5.749 -2.133 1.00 0.00 C +ATOM 160 C ASP A 9 1.670 -6.459 -0.990 1.00 0.00 C +ATOM 161 O ASP A 9 2.622 -7.186 -1.270 1.00 0.00 O +ATOM 162 CB ASP A 9 1.736 -4.535 -2.594 1.00 0.00 C +ATOM 163 CG ASP A 9 1.220 -3.854 -3.861 1.00 0.00 C +ATOM 164 OD1 ASP A 9 1.591 -4.337 -4.953 1.00 0.00 O +ATOM 165 OD2 ASP A 9 0.541 -2.814 -3.721 1.00 0.00 O +ATOM 166 H ASP A 9 -0.655 -4.337 -1.719 1.00 0.00 H +ATOM 167 HA ASP A 9 0.844 -6.450 -2.966 1.00 0.00 H +ATOM 168 HB2 ASP A 9 1.736 -3.811 -1.802 1.00 0.00 H +ATOM 169 HB3 ASP A 9 2.749 -4.874 -2.808 1.00 0.00 H +ATOM 170 N GLY A 10 1.257 -6.258 0.274 1.00 0.00 N +ATOM 171 CA GLY A 10 1.961 -6.712 1.480 1.00 0.00 C +ATOM 172 C GLY A 10 2.411 -5.586 2.425 1.00 0.00 C +ATOM 173 O GLY A 10 3.160 -5.849 3.367 1.00 0.00 O +ATOM 174 H GLY A 10 0.383 -5.760 0.408 1.00 0.00 H +ATOM 175 HA2 GLY A 10 1.304 -7.377 2.037 1.00 0.00 H +ATOM 176 HA3 GLY A 10 2.850 -7.277 1.196 1.00 0.00 H +ATOM 177 N GLY A 11 2.008 -4.326 2.183 1.00 0.00 N +ATOM 178 CA GLY A 11 2.450 -3.174 2.973 1.00 0.00 C +ATOM 179 C GLY A 11 3.980 -2.984 2.932 1.00 0.00 C +ATOM 180 O GLY A 11 4.559 -3.040 1.839 1.00 0.00 O +ATOM 181 H GLY A 11 1.456 -4.151 1.354 1.00 0.00 H +ATOM 182 HA2 GLY A 11 1.984 -2.274 2.571 1.00 0.00 H +ATOM 183 HA3 GLY A 11 2.101 -3.314 3.994 1.00 0.00 H +ATOM 184 N PRO A 12 4.665 -2.766 4.078 1.00 0.00 N +ATOM 185 CA PRO A 12 6.116 -2.537 4.125 1.00 0.00 C +ATOM 186 C PRO A 12 6.959 -3.639 3.466 1.00 0.00 C +ATOM 187 O PRO A 12 8.019 -3.357 2.912 1.00 0.00 O +ATOM 188 CB PRO A 12 6.477 -2.417 5.612 1.00 0.00 C +ATOM 189 CG PRO A 12 5.164 -2.042 6.293 1.00 0.00 C +ATOM 190 CD PRO A 12 4.110 -2.726 5.425 1.00 0.00 C +ATOM 191 HA PRO A 12 6.331 -1.590 3.630 1.00 0.00 H +ATOM 192 HB2 PRO A 12 6.847 -3.351 5.989 1.00 0.00 H +ATOM 193 HB3 PRO A 12 7.243 -1.658 5.777 1.00 0.00 H +ATOM 194 HG2 PRO A 12 5.133 -2.413 7.299 1.00 0.00 H +ATOM 195 HG3 PRO A 12 5.028 -0.961 6.254 1.00 0.00 H +ATOM 196 HD2 PRO A 12 3.922 -3.721 5.781 1.00 0.00 H +ATOM 197 HD3 PRO A 12 3.178 -2.162 5.468 1.00 0.00 H +ATOM 198 N SER A 13 6.486 -4.890 3.490 1.00 0.00 N +ATOM 199 CA SER A 13 7.202 -6.073 2.992 1.00 0.00 C +ATOM 200 C SER A 13 7.143 -6.241 1.464 1.00 0.00 C +ATOM 201 O SER A 13 7.476 -7.309 0.957 1.00 0.00 O +ATOM 202 CB SER A 13 6.669 -7.320 3.710 1.00 0.00 C +ATOM 203 OG SER A 13 6.903 -7.208 5.102 1.00 0.00 O +ATOM 204 H SER A 13 5.586 -5.054 3.924 1.00 0.00 H +ATOM 205 HA SER A 13 8.256 -5.969 3.247 1.00 0.00 H +ATOM 206 HB2 SER A 13 5.615 -7.410 3.532 1.00 0.00 H +ATOM 207 HB3 SER A 13 7.175 -8.210 3.337 1.00 0.00 H +ATOM 208 HG SER A 13 7.852 -7.195 5.257 1.00 0.00 H +ATOM 209 N SER A 14 6.739 -5.198 0.725 1.00 0.00 N +ATOM 210 CA SER A 14 6.405 -5.266 -0.708 1.00 0.00 C +ATOM 211 C SER A 14 7.371 -4.503 -1.623 1.00 0.00 C +ATOM 212 O SER A 14 7.116 -4.406 -2.826 1.00 0.00 O +ATOM 213 CB SER A 14 4.983 -4.759 -0.973 1.00 0.00 C +ATOM 214 OG SER A 14 4.134 -4.862 0.138 1.00 0.00 O +ATOM 215 H SER A 14 6.478 -4.368 1.241 1.00 0.00 H +ATOM 216 HA SER A 14 6.427 -6.311 -1.020 1.00 0.00 H +ATOM 217 HB2 SER A 14 5.039 -3.727 -1.263 1.00 0.00 H +ATOM 218 HB3 SER A 14 4.571 -5.340 -1.796 1.00 0.00 H +ATOM 219 HG SER A 14 4.313 -4.115 0.764 1.00 0.00 H +ATOM 220 N GLY A 15 8.442 -3.922 -1.059 1.00 0.00 N +ATOM 221 CA GLY A 15 9.474 -3.182 -1.792 1.00 0.00 C +ATOM 222 C GLY A 15 9.029 -1.817 -2.334 1.00 0.00 C +ATOM 223 O GLY A 15 9.636 -1.322 -3.282 1.00 0.00 O +ATOM 224 H GLY A 15 8.567 -4.078 -0.067 1.00 0.00 H +ATOM 225 HA2 GLY A 15 10.326 -3.018 -1.132 1.00 0.00 H +ATOM 226 HA3 GLY A 15 9.816 -3.786 -2.634 1.00 0.00 H +ATOM 227 N ARG A 16 7.971 -1.217 -1.769 1.00 0.00 N +ATOM 228 CA ARG A 16 7.354 0.032 -2.244 1.00 0.00 C +ATOM 229 C ARG A 16 6.844 0.894 -1.071 1.00 0.00 C +ATOM 230 O ARG A 16 6.204 0.347 -0.168 1.00 0.00 O +ATOM 231 CB ARG A 16 6.234 -0.313 -3.248 1.00 0.00 C +ATOM 232 CG ARG A 16 5.064 -1.085 -2.611 1.00 0.00 C +ATOM 233 CD ARG A 16 4.139 -1.794 -3.605 1.00 0.00 C +ATOM 234 NE ARG A 16 4.801 -2.956 -4.225 1.00 0.00 N +ATOM 235 CZ ARG A 16 5.278 -3.071 -5.455 1.00 0.00 C +ATOM 236 NH1 ARG A 16 5.210 -2.093 -6.329 1.00 0.00 N +ATOM 237 NH2 ARG A 16 5.864 -4.186 -5.822 1.00 0.00 N +ATOM 238 H ARG A 16 7.549 -1.675 -0.973 1.00 0.00 H +ATOM 239 HA ARG A 16 8.120 0.589 -2.783 1.00 0.00 H +ATOM 240 HB2 ARG A 16 5.854 0.601 -3.662 1.00 0.00 H +ATOM 241 HB3 ARG A 16 6.672 -0.909 -4.049 1.00 0.00 H +ATOM 242 HG2 ARG A 16 5.474 -1.825 -1.951 1.00 0.00 H +ATOM 243 HG3 ARG A 16 4.465 -0.382 -2.044 1.00 0.00 H +ATOM 244 HD2 ARG A 16 3.261 -2.128 -3.087 1.00 0.00 H +ATOM 245 HD3 ARG A 16 3.785 -1.084 -4.353 1.00 0.00 H +ATOM 246 HE ARG A 16 4.929 -3.770 -3.646 1.00 0.00 H +ATOM 247 HH11 ARG A 16 4.742 -1.252 -6.044 1.00 0.00 H +ATOM 248 HH12 ARG A 16 5.588 -2.189 -7.251 1.00 0.00 H +ATOM 249 HH21 ARG A 16 5.998 -4.910 -5.134 1.00 0.00 H +ATOM 250 HH22 ARG A 16 6.200 -4.304 -6.756 1.00 0.00 H +ATOM 251 N PRO A 17 7.087 2.220 -1.065 1.00 0.00 N +ATOM 252 CA PRO A 17 6.655 3.106 0.019 1.00 0.00 C +ATOM 253 C PRO A 17 5.123 3.267 0.052 1.00 0.00 C +ATOM 254 O PRO A 17 4.470 3.043 -0.971 1.00 0.00 O +ATOM 255 CB PRO A 17 7.355 4.442 -0.256 1.00 0.00 C +ATOM 256 CG PRO A 17 7.509 4.455 -1.776 1.00 0.00 C +ATOM 257 CD PRO A 17 7.758 2.986 -2.109 1.00 0.00 C +ATOM 258 HA PRO A 17 6.997 2.705 0.974 1.00 0.00 H +ATOM 259 HB2 PRO A 17 6.753 5.266 0.076 1.00 0.00 H +ATOM 260 HB3 PRO A 17 8.342 4.438 0.209 1.00 0.00 H +ATOM 261 HG2 PRO A 17 6.616 4.812 -2.251 1.00 0.00 H +ATOM 262 HG3 PRO A 17 8.338 5.087 -2.096 1.00 0.00 H +ATOM 263 HD2 PRO A 17 7.347 2.746 -3.071 1.00 0.00 H +ATOM 264 HD3 PRO A 17 8.828 2.777 -2.079 1.00 0.00 H +ATOM 265 N PRO A 18 4.537 3.673 1.196 1.00 0.00 N +ATOM 266 CA PRO A 18 3.102 3.903 1.304 1.00 0.00 C +ATOM 267 C PRO A 18 2.667 5.149 0.509 1.00 0.00 C +ATOM 268 O PRO A 18 3.454 6.085 0.353 1.00 0.00 O +ATOM 269 CB PRO A 18 2.819 4.069 2.799 1.00 0.00 C +ATOM 270 CG PRO A 18 4.134 4.621 3.345 1.00 0.00 C +ATOM 271 CD PRO A 18 5.189 3.944 2.471 1.00 0.00 C +ATOM 272 HA PRO A 18 2.575 3.028 0.934 1.00 0.00 H +ATOM 273 HB2 PRO A 18 2.014 4.759 2.964 1.00 0.00 H +ATOM 274 HB3 PRO A 18 2.618 3.095 3.244 1.00 0.00 H +ATOM 275 HG2 PRO A 18 4.176 5.688 3.241 1.00 0.00 H +ATOM 276 HG3 PRO A 18 4.266 4.380 4.399 1.00 0.00 H +ATOM 277 HD2 PRO A 18 6.030 4.595 2.329 1.00 0.00 H +ATOM 278 HD3 PRO A 18 5.495 3.002 2.927 1.00 0.00 H +ATOM 279 N PRO A 19 1.416 5.184 0.020 1.00 0.00 N +ATOM 280 CA PRO A 19 0.856 6.338 -0.670 1.00 0.00 C +ATOM 281 C PRO A 19 0.274 7.370 0.308 1.00 0.00 C +ATOM 282 O PRO A 19 -0.285 7.006 1.346 1.00 0.00 O +ATOM 283 CB PRO A 19 -0.241 5.744 -1.552 1.00 0.00 C +ATOM 284 CG PRO A 19 -0.772 4.583 -0.706 1.00 0.00 C +ATOM 285 CD PRO A 19 0.476 4.073 0.003 1.00 0.00 C +ATOM 286 HA PRO A 19 1.613 6.813 -1.296 1.00 0.00 H +ATOM 287 HB2 PRO A 19 -1.012 6.464 -1.746 1.00 0.00 H +ATOM 288 HB3 PRO A 19 0.214 5.358 -2.465 1.00 0.00 H +ATOM 289 HG2 PRO A 19 -1.504 4.924 0.000 1.00 0.00 H +ATOM 290 HG3 PRO A 19 -1.221 3.803 -1.320 1.00 0.00 H +ATOM 291 HD2 PRO A 19 0.238 3.772 1.005 1.00 0.00 H +ATOM 292 HD3 PRO A 19 0.911 3.257 -0.574 1.00 0.00 H +ATOM 293 N SER A 20 0.317 8.642 -0.115 1.00 0.00 N +ATOM 294 CA SER A 20 -0.113 9.835 0.640 1.00 0.00 C +ATOM 295 C SER A 20 0.639 10.031 1.968 1.00 0.00 C +ATOM 296 O SER A 20 0.066 10.720 2.840 1.00 0.00 O +ATOM 297 CB SER A 20 -1.636 9.826 0.849 1.00 0.00 C +ATOM 298 OG SER A 20 -2.305 9.711 -0.395 1.00 0.00 O +ATOM 299 OXT SER A 20 1.796 9.565 2.056 1.00 0.00 O +ATOM 300 H SER A 20 0.838 8.806 -0.960 1.00 0.00 H +ATOM 301 HA SER A 20 0.140 10.716 0.055 1.00 0.00 H +ATOM 302 HB2 SER A 20 -1.902 8.994 1.472 1.00 0.00 H +ATOM 303 HB3 SER A 20 -1.934 10.755 1.339 1.00 0.00 H +ATOM 304 HG SER A 20 -1.851 10.287 -1.014 1.00 0.00 H +TER 305 SER A 20 +ENDMDL +MODEL 33 +ATOM 1 N ASN A 1 -9.696 2.810 -1.214 1.00 0.00 N +ATOM 2 CA ASN A 1 -8.702 3.862 -0.904 1.00 0.00 C +ATOM 3 C ASN A 1 -7.320 3.416 -1.392 1.00 0.00 C +ATOM 4 O ASN A 1 -7.058 2.216 -1.401 1.00 0.00 O +ATOM 5 CB ASN A 1 -8.682 4.180 0.603 1.00 0.00 C +ATOM 6 CG ASN A 1 -7.901 5.460 0.875 1.00 0.00 C +ATOM 7 OD1 ASN A 1 -6.683 5.431 0.961 1.00 0.00 O +ATOM 8 ND2 ASN A 1 -8.563 6.601 0.949 1.00 0.00 N +ATOM 9 H1 ASN A 1 -9.798 2.712 -2.215 1.00 0.00 H +ATOM 10 H2 ASN A 1 -9.371 1.928 -0.840 1.00 0.00 H +ATOM 11 H3 ASN A 1 -10.593 3.041 -0.806 1.00 0.00 H +ATOM 12 HA ASN A 1 -8.978 4.770 -1.442 1.00 0.00 H +ATOM 13 HB2 ASN A 1 -9.690 4.302 0.950 1.00 0.00 H +ATOM 14 HB3 ASN A 1 -8.208 3.365 1.150 1.00 0.00 H +ATOM 15 HD21 ASN A 1 -9.568 6.669 0.919 1.00 0.00 H +ATOM 16 HD22 ASN A 1 -7.997 7.418 1.129 1.00 0.00 H +ATOM 17 N LEU A 2 -6.450 4.362 -1.773 1.00 0.00 N +ATOM 18 CA LEU A 2 -5.070 4.110 -2.206 1.00 0.00 C +ATOM 19 C LEU A 2 -4.261 3.274 -1.198 1.00 0.00 C +ATOM 20 O LEU A 2 -3.535 2.363 -1.600 1.00 0.00 O +ATOM 21 CB LEU A 2 -4.351 5.440 -2.547 1.00 0.00 C +ATOM 22 CG LEU A 2 -4.514 6.597 -1.528 1.00 0.00 C +ATOM 23 CD1 LEU A 2 -3.229 7.411 -1.372 1.00 0.00 C +ATOM 24 CD2 LEU A 2 -5.623 7.572 -1.951 1.00 0.00 C +ATOM 25 H LEU A 2 -6.706 5.331 -1.654 1.00 0.00 H +ATOM 26 HA LEU A 2 -5.109 3.519 -3.122 1.00 0.00 H +ATOM 27 HB2 LEU A 2 -3.303 5.230 -2.636 1.00 0.00 H +ATOM 28 HB3 LEU A 2 -4.699 5.782 -3.523 1.00 0.00 H +ATOM 29 HG LEU A 2 -4.759 6.191 -0.552 1.00 0.00 H +ATOM 30 HD11 LEU A 2 -2.500 6.830 -0.816 1.00 0.00 H +ATOM 31 HD12 LEU A 2 -2.824 7.681 -2.347 1.00 0.00 H +ATOM 32 HD13 LEU A 2 -3.422 8.320 -0.800 1.00 0.00 H +ATOM 33 HD21 LEU A 2 -5.295 8.148 -2.819 1.00 0.00 H +ATOM 34 HD22 LEU A 2 -6.539 7.048 -2.209 1.00 0.00 H +ATOM 35 HD23 LEU A 2 -5.828 8.260 -1.132 1.00 0.00 H +ATOM 36 N TYR A 3 -4.415 3.532 0.107 1.00 0.00 N +ATOM 37 CA TYR A 3 -3.672 2.802 1.139 1.00 0.00 C +ATOM 38 C TYR A 3 -4.041 1.307 1.188 1.00 0.00 C +ATOM 39 O TYR A 3 -3.171 0.461 1.386 1.00 0.00 O +ATOM 40 CB TYR A 3 -3.879 3.480 2.497 1.00 0.00 C +ATOM 41 CG TYR A 3 -2.767 3.185 3.485 1.00 0.00 C +ATOM 42 CD1 TYR A 3 -2.814 2.034 4.294 1.00 0.00 C +ATOM 43 CD2 TYR A 3 -1.673 4.066 3.584 1.00 0.00 C +ATOM 44 CE1 TYR A 3 -1.769 1.770 5.202 1.00 0.00 C +ATOM 45 CE2 TYR A 3 -0.633 3.814 4.497 1.00 0.00 C +ATOM 46 CZ TYR A 3 -0.678 2.659 5.305 1.00 0.00 C +ATOM 47 OH TYR A 3 0.328 2.397 6.181 1.00 0.00 O +ATOM 48 H TYR A 3 -5.030 4.292 0.388 1.00 0.00 H +ATOM 49 HA TYR A 3 -2.611 2.866 0.893 1.00 0.00 H +ATOM 50 HB2 TYR A 3 -3.928 4.541 2.345 1.00 0.00 H +ATOM 51 HB3 TYR A 3 -4.839 3.176 2.920 1.00 0.00 H +ATOM 52 HD1 TYR A 3 -3.646 1.348 4.217 1.00 0.00 H +ATOM 53 HD2 TYR A 3 -1.623 4.947 2.966 1.00 0.00 H +ATOM 54 HE1 TYR A 3 -1.786 0.898 5.835 1.00 0.00 H +ATOM 55 HE2 TYR A 3 0.183 4.517 4.582 1.00 0.00 H +ATOM 56 HH TYR A 3 1.000 3.080 6.149 1.00 0.00 H +ATOM 57 N ILE A 4 -5.317 0.964 0.945 1.00 0.00 N +ATOM 58 CA ILE A 4 -5.797 -0.427 0.890 1.00 0.00 C +ATOM 59 C ILE A 4 -5.106 -1.182 -0.260 1.00 0.00 C +ATOM 60 O ILE A 4 -4.649 -2.312 -0.079 1.00 0.00 O +ATOM 61 CB ILE A 4 -7.343 -0.481 0.776 1.00 0.00 C +ATOM 62 CG1 ILE A 4 -8.026 0.176 2.003 1.00 0.00 C +ATOM 63 CG2 ILE A 4 -7.809 -1.944 0.634 1.00 0.00 C +ATOM 64 CD1 ILE A 4 -9.518 0.486 1.806 1.00 0.00 C +ATOM 65 H ILE A 4 -5.958 1.710 0.720 1.00 0.00 H +ATOM 66 HA ILE A 4 -5.510 -0.925 1.817 1.00 0.00 H +ATOM 67 HB ILE A 4 -7.647 0.059 -0.122 1.00 0.00 H +ATOM 68 HG12 ILE A 4 -7.929 -0.490 2.838 1.00 0.00 H +ATOM 69 HG13 ILE A 4 -7.538 1.122 2.236 1.00 0.00 H +ATOM 70 HG21 ILE A 4 -7.478 -2.358 -0.319 1.00 0.00 H +ATOM 71 HG22 ILE A 4 -7.398 -2.547 1.445 1.00 0.00 H +ATOM 72 HG23 ILE A 4 -8.894 -2.016 0.659 1.00 0.00 H +ATOM 73 HD11 ILE A 4 -9.642 1.219 1.013 1.00 0.00 H +ATOM 74 HD12 ILE A 4 -10.080 -0.412 1.556 1.00 0.00 H +ATOM 75 HD13 ILE A 4 -9.924 0.899 2.728 1.00 0.00 H +ATOM 76 N GLN A 5 -4.987 -0.542 -1.429 1.00 0.00 N +ATOM 77 CA GLN A 5 -4.265 -1.071 -2.589 1.00 0.00 C +ATOM 78 C GLN A 5 -2.780 -1.329 -2.278 1.00 0.00 C +ATOM 79 O GLN A 5 -2.258 -2.372 -2.663 1.00 0.00 O +ATOM 80 CB GLN A 5 -4.444 -0.110 -3.783 1.00 0.00 C +ATOM 81 CG GLN A 5 -5.274 -0.705 -4.937 1.00 0.00 C +ATOM 82 CD GLN A 5 -4.406 -1.168 -6.106 1.00 0.00 C +ATOM 83 OE1 GLN A 5 -3.743 -0.382 -6.761 1.00 0.00 O +ATOM 84 NE2 GLN A 5 -4.396 -2.444 -6.437 1.00 0.00 N +ATOM 85 H GLN A 5 -5.362 0.397 -1.487 1.00 0.00 H +ATOM 86 HA GLN A 5 -4.696 -2.043 -2.836 1.00 0.00 H +ATOM 87 HB2 GLN A 5 -4.937 0.777 -3.433 1.00 0.00 H +ATOM 88 HB3 GLN A 5 -3.468 0.199 -4.159 1.00 0.00 H +ATOM 89 HG2 GLN A 5 -5.827 -1.546 -4.565 1.00 0.00 H +ATOM 90 HG3 GLN A 5 -5.939 0.070 -5.317 1.00 0.00 H +ATOM 91 HE21 GLN A 5 -4.933 -3.137 -5.951 1.00 0.00 H +ATOM 92 HE22 GLN A 5 -3.802 -2.637 -7.226 1.00 0.00 H +ATOM 93 N TRP A 6 -2.110 -0.425 -1.550 1.00 0.00 N +ATOM 94 CA TRP A 6 -0.735 -0.642 -1.083 1.00 0.00 C +ATOM 95 C TRP A 6 -0.618 -1.798 -0.074 1.00 0.00 C +ATOM 96 O TRP A 6 0.284 -2.632 -0.196 1.00 0.00 O +ATOM 97 CB TRP A 6 -0.178 0.660 -0.502 1.00 0.00 C +ATOM 98 CG TRP A 6 1.220 0.560 0.030 1.00 0.00 C +ATOM 99 CD1 TRP A 6 2.344 0.499 -0.720 1.00 0.00 C +ATOM 100 CD2 TRP A 6 1.660 0.470 1.420 1.00 0.00 C +ATOM 101 NE1 TRP A 6 3.446 0.394 0.108 1.00 0.00 N +ATOM 102 CE2 TRP A 6 3.084 0.389 1.433 1.00 0.00 C +ATOM 103 CE3 TRP A 6 1.008 0.446 2.674 1.00 0.00 C +ATOM 104 CZ2 TRP A 6 3.829 0.330 2.618 1.00 0.00 C +ATOM 105 CZ3 TRP A 6 1.746 0.354 3.871 1.00 0.00 C +ATOM 106 CH2 TRP A 6 3.152 0.312 3.847 1.00 0.00 C +ATOM 107 H TRP A 6 -2.590 0.437 -1.304 1.00 0.00 H +ATOM 108 HA TRP A 6 -0.120 -0.916 -1.942 1.00 0.00 H +ATOM 109 HB2 TRP A 6 -0.189 1.403 -1.276 1.00 0.00 H +ATOM 110 HB3 TRP A 6 -0.826 1.000 0.307 1.00 0.00 H +ATOM 111 HD1 TRP A 6 2.370 0.522 -1.801 1.00 0.00 H +ATOM 112 HE1 TRP A 6 4.422 0.342 -0.195 1.00 0.00 H +ATOM 113 HE3 TRP A 6 -0.071 0.498 2.709 1.00 0.00 H +ATOM 114 HZ2 TRP A 6 4.908 0.276 2.569 1.00 0.00 H +ATOM 115 HZ3 TRP A 6 1.228 0.327 4.819 1.00 0.00 H +ATOM 116 HH2 TRP A 6 3.709 0.259 4.771 1.00 0.00 H +ATOM 117 N LEU A 7 -1.541 -1.889 0.896 1.00 0.00 N +ATOM 118 CA LEU A 7 -1.582 -3.011 1.838 1.00 0.00 C +ATOM 119 C LEU A 7 -1.783 -4.360 1.136 1.00 0.00 C +ATOM 120 O LEU A 7 -1.117 -5.321 1.517 1.00 0.00 O +ATOM 121 CB LEU A 7 -2.666 -2.803 2.908 1.00 0.00 C +ATOM 122 CG LEU A 7 -2.354 -1.713 3.950 1.00 0.00 C +ATOM 123 CD1 LEU A 7 -3.542 -1.608 4.912 1.00 0.00 C +ATOM 124 CD2 LEU A 7 -1.090 -2.018 4.764 1.00 0.00 C +ATOM 125 H LEU A 7 -2.233 -1.146 0.975 1.00 0.00 H +ATOM 126 HA LEU A 7 -0.612 -3.079 2.329 1.00 0.00 H +ATOM 127 HB2 LEU A 7 -3.578 -2.536 2.410 1.00 0.00 H +ATOM 128 HB3 LEU A 7 -2.803 -3.746 3.442 1.00 0.00 H +ATOM 129 HG LEU A 7 -2.222 -0.755 3.451 1.00 0.00 H +ATOM 130 HD11 LEU A 7 -4.453 -1.399 4.353 1.00 0.00 H +ATOM 131 HD12 LEU A 7 -3.663 -2.544 5.458 1.00 0.00 H +ATOM 132 HD13 LEU A 7 -3.376 -0.804 5.626 1.00 0.00 H +ATOM 133 HD21 LEU A 7 -1.148 -3.021 5.187 1.00 0.00 H +ATOM 134 HD22 LEU A 7 -0.210 -1.944 4.128 1.00 0.00 H +ATOM 135 HD23 LEU A 7 -0.982 -1.297 5.571 1.00 0.00 H +ATOM 136 N LYS A 8 -2.633 -4.432 0.094 1.00 0.00 N +ATOM 137 CA LYS A 8 -2.884 -5.655 -0.692 1.00 0.00 C +ATOM 138 C LYS A 8 -1.596 -6.330 -1.179 1.00 0.00 C +ATOM 139 O LYS A 8 -1.525 -7.556 -1.201 1.00 0.00 O +ATOM 140 CB LYS A 8 -3.808 -5.329 -1.882 1.00 0.00 C +ATOM 141 CG LYS A 8 -4.241 -6.587 -2.655 1.00 0.00 C +ATOM 142 CD LYS A 8 -5.060 -6.237 -3.903 1.00 0.00 C +ATOM 143 CE LYS A 8 -5.306 -7.504 -4.738 1.00 0.00 C +ATOM 144 NZ LYS A 8 -4.559 -7.485 -6.019 1.00 0.00 N +ATOM 145 H LYS A 8 -3.173 -3.595 -0.117 1.00 0.00 H +ATOM 146 HA LYS A 8 -3.386 -6.377 -0.047 1.00 0.00 H +ATOM 147 HB2 LYS A 8 -4.685 -4.834 -1.511 1.00 0.00 H +ATOM 148 HB3 LYS A 8 -3.277 -4.670 -2.567 1.00 0.00 H +ATOM 149 HG2 LYS A 8 -3.365 -7.128 -2.956 1.00 0.00 H +ATOM 150 HG3 LYS A 8 -4.835 -7.226 -2.000 1.00 0.00 H +ATOM 151 HD2 LYS A 8 -6.002 -5.819 -3.605 1.00 0.00 H +ATOM 152 HD3 LYS A 8 -4.524 -5.490 -4.491 1.00 0.00 H +ATOM 153 HE2 LYS A 8 -4.994 -8.359 -4.169 1.00 0.00 H +ATOM 154 HE3 LYS A 8 -6.379 -7.594 -4.932 1.00 0.00 H +ATOM 155 HZ1 LYS A 8 -4.868 -6.712 -6.594 1.00 0.00 H +ATOM 156 HZ2 LYS A 8 -3.566 -7.387 -5.848 1.00 0.00 H +ATOM 157 HZ3 LYS A 8 -4.715 -8.344 -6.529 1.00 0.00 H +ATOM 158 N ASP A 9 -0.590 -5.540 -1.563 1.00 0.00 N +ATOM 159 CA ASP A 9 0.696 -6.034 -2.059 1.00 0.00 C +ATOM 160 C ASP A 9 1.604 -6.602 -0.943 1.00 0.00 C +ATOM 161 O ASP A 9 2.534 -7.350 -1.236 1.00 0.00 O +ATOM 162 CB ASP A 9 1.377 -4.885 -2.828 1.00 0.00 C +ATOM 163 CG ASP A 9 2.180 -5.390 -4.029 1.00 0.00 C +ATOM 164 OD1 ASP A 9 1.517 -5.724 -5.041 1.00 0.00 O +ATOM 165 OD2 ASP A 9 3.423 -5.398 -3.944 1.00 0.00 O +ATOM 166 H ASP A 9 -0.734 -4.540 -1.523 1.00 0.00 H +ATOM 167 HA ASP A 9 0.502 -6.844 -2.765 1.00 0.00 H +ATOM 168 HB2 ASP A 9 0.622 -4.207 -3.177 1.00 0.00 H +ATOM 169 HB3 ASP A 9 2.011 -4.308 -2.158 1.00 0.00 H +ATOM 170 N GLY A 10 1.315 -6.291 0.335 1.00 0.00 N +ATOM 171 CA GLY A 10 2.125 -6.667 1.501 1.00 0.00 C +ATOM 172 C GLY A 10 2.634 -5.488 2.350 1.00 0.00 C +ATOM 173 O GLY A 10 3.490 -5.686 3.216 1.00 0.00 O +ATOM 174 H GLY A 10 0.438 -5.808 0.503 1.00 0.00 H +ATOM 175 HA2 GLY A 10 1.519 -7.303 2.147 1.00 0.00 H +ATOM 176 HA3 GLY A 10 2.993 -7.245 1.182 1.00 0.00 H +ATOM 177 N GLY A 11 2.132 -4.266 2.113 1.00 0.00 N +ATOM 178 CA GLY A 11 2.535 -3.041 2.809 1.00 0.00 C +ATOM 179 C GLY A 11 4.061 -2.833 2.842 1.00 0.00 C +ATOM 180 O GLY A 11 4.676 -2.729 1.777 1.00 0.00 O +ATOM 181 H GLY A 11 1.459 -4.179 1.364 1.00 0.00 H +ATOM 182 HA2 GLY A 11 2.091 -2.192 2.292 1.00 0.00 H +ATOM 183 HA3 GLY A 11 2.124 -3.070 3.815 1.00 0.00 H +ATOM 184 N PRO A 12 4.716 -2.764 4.022 1.00 0.00 N +ATOM 185 CA PRO A 12 6.173 -2.628 4.110 1.00 0.00 C +ATOM 186 C PRO A 12 6.953 -3.752 3.413 1.00 0.00 C +ATOM 187 O PRO A 12 8.085 -3.532 2.985 1.00 0.00 O +ATOM 188 CB PRO A 12 6.510 -2.614 5.607 1.00 0.00 C +ATOM 189 CG PRO A 12 5.200 -2.211 6.279 1.00 0.00 C +ATOM 190 CD PRO A 12 4.136 -2.801 5.356 1.00 0.00 C +ATOM 191 HA PRO A 12 6.463 -1.674 3.669 1.00 0.00 H +ATOM 192 HB2 PRO A 12 6.824 -3.586 5.936 1.00 0.00 H +ATOM 193 HB3 PRO A 12 7.309 -1.906 5.829 1.00 0.00 H +ATOM 194 HG2 PRO A 12 5.129 -2.629 7.265 1.00 0.00 H +ATOM 195 HG3 PRO A 12 5.116 -1.124 6.289 1.00 0.00 H +ATOM 196 HD2 PRO A 12 3.912 -3.811 5.640 1.00 0.00 H +ATOM 197 HD3 PRO A 12 3.224 -2.208 5.422 1.00 0.00 H +ATOM 198 N SER A 13 6.364 -4.949 3.290 1.00 0.00 N +ATOM 199 CA SER A 13 7.032 -6.120 2.719 1.00 0.00 C +ATOM 200 C SER A 13 7.005 -6.154 1.183 1.00 0.00 C +ATOM 201 O SER A 13 7.560 -7.084 0.599 1.00 0.00 O +ATOM 202 CB SER A 13 6.426 -7.399 3.310 1.00 0.00 C +ATOM 203 OG SER A 13 7.402 -8.420 3.301 1.00 0.00 O +ATOM 204 H SER A 13 5.392 -5.053 3.575 1.00 0.00 H +ATOM 205 HA SER A 13 8.080 -6.085 3.021 1.00 0.00 H +ATOM 206 HB2 SER A 13 6.109 -7.214 4.318 1.00 0.00 H +ATOM 207 HB3 SER A 13 5.557 -7.710 2.730 1.00 0.00 H +ATOM 208 HG SER A 13 7.730 -8.506 2.397 1.00 0.00 H +ATOM 209 N SER A 14 6.381 -5.157 0.538 1.00 0.00 N +ATOM 210 CA SER A 14 6.165 -5.055 -0.915 1.00 0.00 C +ATOM 211 C SER A 14 7.342 -4.457 -1.697 1.00 0.00 C +ATOM 212 O SER A 14 7.309 -4.428 -2.924 1.00 0.00 O +ATOM 213 CB SER A 14 4.964 -4.138 -1.174 1.00 0.00 C +ATOM 214 OG SER A 14 3.864 -4.511 -0.377 1.00 0.00 O +ATOM 215 H SER A 14 5.881 -4.475 1.098 1.00 0.00 H +ATOM 216 HA SER A 14 5.937 -6.042 -1.321 1.00 0.00 H +ATOM 217 HB2 SER A 14 5.238 -3.127 -0.943 1.00 0.00 H +ATOM 218 HB3 SER A 14 4.688 -4.185 -2.225 1.00 0.00 H +ATOM 219 HG SER A 14 3.188 -3.835 -0.468 1.00 0.00 H +ATOM 220 N GLY A 15 8.357 -3.909 -1.017 1.00 0.00 N +ATOM 221 CA GLY A 15 9.474 -3.213 -1.669 1.00 0.00 C +ATOM 222 C GLY A 15 9.156 -1.791 -2.160 1.00 0.00 C +ATOM 223 O GLY A 15 9.942 -1.231 -2.920 1.00 0.00 O +ATOM 224 H GLY A 15 8.341 -3.994 -0.010 1.00 0.00 H +ATOM 225 HA2 GLY A 15 10.311 -3.152 -0.976 1.00 0.00 H +ATOM 226 HA3 GLY A 15 9.800 -3.797 -2.532 1.00 0.00 H +ATOM 227 N ARG A 16 8.024 -1.197 -1.741 1.00 0.00 N +ATOM 228 CA ARG A 16 7.568 0.140 -2.156 1.00 0.00 C +ATOM 229 C ARG A 16 7.012 0.930 -0.956 1.00 0.00 C +ATOM 230 O ARG A 16 6.231 0.354 -0.196 1.00 0.00 O +ATOM 231 CB ARG A 16 6.504 -0.029 -3.256 1.00 0.00 C +ATOM 232 CG ARG A 16 6.136 1.305 -3.920 1.00 0.00 C +ATOM 233 CD ARG A 16 5.111 1.119 -5.043 1.00 0.00 C +ATOM 234 NE ARG A 16 4.902 2.373 -5.790 1.00 0.00 N +ATOM 235 CZ ARG A 16 4.118 3.394 -5.467 1.00 0.00 C +ATOM 236 NH1 ARG A 16 3.401 3.409 -4.368 1.00 0.00 N +ATOM 237 NH2 ARG A 16 4.046 4.440 -6.259 1.00 0.00 N +ATOM 238 H ARG A 16 7.441 -1.716 -1.100 1.00 0.00 H +ATOM 239 HA ARG A 16 8.423 0.671 -2.576 1.00 0.00 H +ATOM 240 HB2 ARG A 16 6.886 -0.694 -4.006 1.00 0.00 H +ATOM 241 HB3 ARG A 16 5.608 -0.485 -2.831 1.00 0.00 H +ATOM 242 HG2 ARG A 16 5.722 1.960 -3.177 1.00 0.00 H +ATOM 243 HG3 ARG A 16 7.039 1.747 -4.344 1.00 0.00 H +ATOM 244 HD2 ARG A 16 5.466 0.364 -5.719 1.00 0.00 H +ATOM 245 HD3 ARG A 16 4.167 0.759 -4.628 1.00 0.00 H +ATOM 246 HE ARG A 16 5.422 2.462 -6.647 1.00 0.00 H +ATOM 247 HH11 ARG A 16 3.504 2.647 -3.718 1.00 0.00 H +ATOM 248 HH12 ARG A 16 2.814 4.189 -4.136 1.00 0.00 H +ATOM 249 HH21 ARG A 16 4.589 4.478 -7.103 1.00 0.00 H +ATOM 250 HH22 ARG A 16 3.453 5.213 -6.014 1.00 0.00 H +ATOM 251 N PRO A 17 7.341 2.229 -0.790 1.00 0.00 N +ATOM 252 CA PRO A 17 6.828 3.050 0.313 1.00 0.00 C +ATOM 253 C PRO A 17 5.302 3.268 0.240 1.00 0.00 C +ATOM 254 O PRO A 17 4.711 3.118 -0.837 1.00 0.00 O +ATOM 255 CB PRO A 17 7.588 4.382 0.217 1.00 0.00 C +ATOM 256 CG PRO A 17 7.955 4.479 -1.259 1.00 0.00 C +ATOM 257 CD PRO A 17 8.236 3.024 -1.624 1.00 0.00 C +ATOM 258 HA PRO A 17 7.073 2.564 1.257 1.00 0.00 H +ATOM 259 HB2 PRO A 17 6.962 5.202 0.511 1.00 0.00 H +ATOM 260 HB3 PRO A 17 8.498 4.326 0.815 1.00 0.00 H +ATOM 261 HG2 PRO A 17 7.141 4.874 -1.836 1.00 0.00 H +ATOM 262 HG3 PRO A 17 8.825 5.116 -1.425 1.00 0.00 H +ATOM 263 HD2 PRO A 17 8.031 2.852 -2.663 1.00 0.00 H +ATOM 264 HD3 PRO A 17 9.270 2.778 -1.381 1.00 0.00 H +ATOM 265 N PRO A 18 4.658 3.643 1.366 1.00 0.00 N +ATOM 266 CA PRO A 18 3.221 3.898 1.414 1.00 0.00 C +ATOM 267 C PRO A 18 2.834 5.170 0.637 1.00 0.00 C +ATOM 268 O PRO A 18 3.623 6.115 0.574 1.00 0.00 O +ATOM 269 CB PRO A 18 2.872 4.023 2.901 1.00 0.00 C +ATOM 270 CG PRO A 18 4.173 4.506 3.536 1.00 0.00 C +ATOM 271 CD PRO A 18 5.248 3.833 2.686 1.00 0.00 C +ATOM 272 HA PRO A 18 2.702 3.039 0.999 1.00 0.00 H +ATOM 273 HB2 PRO A 18 2.085 4.736 3.051 1.00 0.00 H +ATOM 274 HB3 PRO A 18 2.619 3.041 3.300 1.00 0.00 H +ATOM 275 HG2 PRO A 18 4.254 5.575 3.483 1.00 0.00 H +ATOM 276 HG3 PRO A 18 4.246 4.214 4.585 1.00 0.00 H +ATOM 277 HD2 PRO A 18 6.117 4.459 2.619 1.00 0.00 H +ATOM 278 HD3 PRO A 18 5.501 2.862 3.113 1.00 0.00 H +ATOM 279 N PRO A 19 1.620 5.223 0.057 1.00 0.00 N +ATOM 280 CA PRO A 19 1.139 6.367 -0.722 1.00 0.00 C +ATOM 281 C PRO A 19 0.477 7.473 0.123 1.00 0.00 C +ATOM 282 O PRO A 19 0.201 8.545 -0.412 1.00 0.00 O +ATOM 283 CB PRO A 19 0.125 5.747 -1.684 1.00 0.00 C +ATOM 284 CG PRO A 19 -0.519 4.650 -0.831 1.00 0.00 C +ATOM 285 CD PRO A 19 0.673 4.117 -0.040 1.00 0.00 C +ATOM 286 HA PRO A 19 1.956 6.812 -1.290 1.00 0.00 H +ATOM 287 HB2 PRO A 19 -0.603 6.470 -1.999 1.00 0.00 H +ATOM 288 HB3 PRO A 19 0.651 5.295 -2.525 1.00 0.00 H +ATOM 289 HG2 PRO A 19 -1.270 5.054 -0.179 1.00 0.00 H +ATOM 290 HG3 PRO A 19 -0.979 3.875 -1.444 1.00 0.00 H +ATOM 291 HD2 PRO A 19 0.362 3.806 0.939 1.00 0.00 H +ATOM 292 HD3 PRO A 19 1.138 3.304 -0.597 1.00 0.00 H +ATOM 293 N SER A 20 0.213 7.210 1.410 1.00 0.00 N +ATOM 294 CA SER A 20 -0.379 8.118 2.401 1.00 0.00 C +ATOM 295 C SER A 20 0.477 8.085 3.667 1.00 0.00 C +ATOM 296 O SER A 20 0.871 9.175 4.129 1.00 0.00 O +ATOM 297 CB SER A 20 -1.821 7.700 2.717 1.00 0.00 C +ATOM 298 OG SER A 20 -2.657 8.835 2.780 1.00 0.00 O +ATOM 299 OXT SER A 20 0.731 6.946 4.124 1.00 0.00 O +ATOM 300 H SER A 20 0.539 6.334 1.792 1.00 0.00 H +ATOM 301 HA SER A 20 -0.376 9.140 2.021 1.00 0.00 H +ATOM 302 HB2 SER A 20 -2.175 7.041 1.948 1.00 0.00 H +ATOM 303 HB3 SER A 20 -1.844 7.173 3.675 1.00 0.00 H +ATOM 304 HG SER A 20 -3.473 8.604 3.228 1.00 0.00 H +TER 305 SER A 20 +ENDMDL +MODEL 34 +ATOM 1 N ASN A 1 -5.799 7.830 -0.622 1.00 0.00 N +ATOM 2 CA ASN A 1 -6.880 6.904 -1.045 1.00 0.00 C +ATOM 3 C ASN A 1 -6.385 5.527 -1.533 1.00 0.00 C +ATOM 4 O ASN A 1 -7.195 4.623 -1.680 1.00 0.00 O +ATOM 5 CB ASN A 1 -7.825 7.579 -2.066 1.00 0.00 C +ATOM 6 CG ASN A 1 -9.296 7.287 -1.763 1.00 0.00 C +ATOM 7 OD1 ASN A 1 -9.622 6.455 -0.932 1.00 0.00 O +ATOM 8 ND2 ASN A 1 -10.226 7.998 -2.373 1.00 0.00 N +ATOM 9 H1 ASN A 1 -5.221 7.401 0.088 1.00 0.00 H +ATOM 10 H2 ASN A 1 -5.228 8.093 -1.416 1.00 0.00 H +ATOM 11 H3 ASN A 1 -6.207 8.670 -0.235 1.00 0.00 H +ATOM 12 HA ASN A 1 -7.484 6.690 -0.160 1.00 0.00 H +ATOM 13 HB2 ASN A 1 -7.668 8.640 -2.035 1.00 0.00 H +ATOM 14 HB3 ASN A 1 -7.593 7.245 -3.078 1.00 0.00 H +ATOM 15 HD21 ASN A 1 -10.030 8.724 -3.044 1.00 0.00 H +ATOM 16 HD22 ASN A 1 -11.167 7.758 -2.108 1.00 0.00 H +ATOM 17 N LEU A 2 -5.074 5.320 -1.762 1.00 0.00 N +ATOM 18 CA LEU A 2 -4.517 4.062 -2.295 1.00 0.00 C +ATOM 19 C LEU A 2 -3.967 3.102 -1.219 1.00 0.00 C +ATOM 20 O LEU A 2 -3.428 2.045 -1.548 1.00 0.00 O +ATOM 21 CB LEU A 2 -3.448 4.425 -3.346 1.00 0.00 C +ATOM 22 CG LEU A 2 -4.051 4.779 -4.719 1.00 0.00 C +ATOM 23 CD1 LEU A 2 -3.023 5.544 -5.556 1.00 0.00 C +ATOM 24 CD2 LEU A 2 -4.473 3.517 -5.479 1.00 0.00 C +ATOM 25 H LEU A 2 -4.397 6.057 -1.657 1.00 0.00 H +ATOM 26 HA LEU A 2 -5.309 3.505 -2.795 1.00 0.00 H +ATOM 27 HB2 LEU A 2 -2.890 5.269 -2.989 1.00 0.00 H +ATOM 28 HB3 LEU A 2 -2.757 3.592 -3.484 1.00 0.00 H +ATOM 29 HG LEU A 2 -4.923 5.421 -4.583 1.00 0.00 H +ATOM 30 HD11 LEU A 2 -2.817 6.509 -5.095 1.00 0.00 H +ATOM 31 HD12 LEU A 2 -2.096 4.973 -5.628 1.00 0.00 H +ATOM 32 HD13 LEU A 2 -3.417 5.717 -6.558 1.00 0.00 H +ATOM 33 HD21 LEU A 2 -3.615 2.859 -5.616 1.00 0.00 H +ATOM 34 HD22 LEU A 2 -5.251 2.986 -4.932 1.00 0.00 H +ATOM 35 HD23 LEU A 2 -4.869 3.792 -6.456 1.00 0.00 H +ATOM 36 N TYR A 3 -4.114 3.440 0.068 1.00 0.00 N +ATOM 37 CA TYR A 3 -3.557 2.674 1.187 1.00 0.00 C +ATOM 38 C TYR A 3 -4.050 1.217 1.220 1.00 0.00 C +ATOM 39 O TYR A 3 -3.279 0.313 1.534 1.00 0.00 O +ATOM 40 CB TYR A 3 -3.871 3.401 2.505 1.00 0.00 C +ATOM 41 CG TYR A 3 -2.796 3.226 3.558 1.00 0.00 C +ATOM 42 CD1 TYR A 3 -2.742 2.051 4.335 1.00 0.00 C +ATOM 43 CD2 TYR A 3 -1.836 4.240 3.749 1.00 0.00 C +ATOM 44 CE1 TYR A 3 -1.743 1.897 5.317 1.00 0.00 C +ATOM 45 CE2 TYR A 3 -0.837 4.088 4.726 1.00 0.00 C +ATOM 46 CZ TYR A 3 -0.793 2.923 5.516 1.00 0.00 C +ATOM 47 OH TYR A 3 0.148 2.813 6.496 1.00 0.00 O +ATOM 48 H TYR A 3 -4.583 4.306 0.272 1.00 0.00 H +ATOM 49 HA TYR A 3 -2.473 2.651 1.067 1.00 0.00 H +ATOM 50 HB2 TYR A 3 -3.978 4.449 2.299 1.00 0.00 H +ATOM 51 HB3 TYR A 3 -4.828 3.055 2.899 1.00 0.00 H +ATOM 52 HD1 TYR A 3 -3.469 1.267 4.176 1.00 0.00 H +ATOM 53 HD2 TYR A 3 -1.865 5.144 3.155 1.00 0.00 H +ATOM 54 HE1 TYR A 3 -1.699 0.996 5.909 1.00 0.00 H +ATOM 55 HE2 TYR A 3 -0.106 4.866 4.894 1.00 0.00 H +ATOM 56 HH TYR A 3 -0.189 2.359 7.268 1.00 0.00 H +ATOM 57 N ILE A 4 -5.316 0.983 0.838 1.00 0.00 N +ATOM 58 CA ILE A 4 -5.917 -0.354 0.736 1.00 0.00 C +ATOM 59 C ILE A 4 -5.164 -1.204 -0.302 1.00 0.00 C +ATOM 60 O ILE A 4 -4.740 -2.313 0.009 1.00 0.00 O +ATOM 61 CB ILE A 4 -7.431 -0.260 0.419 1.00 0.00 C +ATOM 62 CG1 ILE A 4 -8.188 0.682 1.392 1.00 0.00 C +ATOM 63 CG2 ILE A 4 -8.073 -1.658 0.464 1.00 0.00 C +ATOM 64 CD1 ILE A 4 -8.662 1.967 0.703 1.00 0.00 C +ATOM 65 H ILE A 4 -5.883 1.784 0.606 1.00 0.00 H +ATOM 66 HA ILE A 4 -5.806 -0.849 1.701 1.00 0.00 H +ATOM 67 HB ILE A 4 -7.550 0.118 -0.599 1.00 0.00 H +ATOM 68 HG12 ILE A 4 -9.043 0.163 1.781 1.00 0.00 H +ATOM 69 HG13 ILE A 4 -7.554 0.946 2.240 1.00 0.00 H +ATOM 70 HG21 ILE A 4 -7.627 -2.311 -0.285 1.00 0.00 H +ATOM 71 HG22 ILE A 4 -7.939 -2.102 1.451 1.00 0.00 H +ATOM 72 HG23 ILE A 4 -9.141 -1.582 0.251 1.00 0.00 H +ATOM 73 HD11 ILE A 4 -7.826 2.470 0.218 1.00 0.00 H +ATOM 74 HD12 ILE A 4 -9.419 1.723 -0.045 1.00 0.00 H +ATOM 75 HD13 ILE A 4 -9.102 2.636 1.442 1.00 0.00 H +ATOM 76 N GLN A 5 -4.951 -0.669 -1.512 1.00 0.00 N +ATOM 77 CA GLN A 5 -4.159 -1.301 -2.575 1.00 0.00 C +ATOM 78 C GLN A 5 -2.710 -1.563 -2.137 1.00 0.00 C +ATOM 79 O GLN A 5 -2.195 -2.659 -2.357 1.00 0.00 O +ATOM 80 CB GLN A 5 -4.205 -0.425 -3.844 1.00 0.00 C +ATOM 81 CG GLN A 5 -5.431 -0.707 -4.723 1.00 0.00 C +ATOM 82 CD GLN A 5 -5.229 -1.914 -5.660 1.00 0.00 C +ATOM 83 OE1 GLN A 5 -4.748 -2.967 -5.270 1.00 0.00 O +ATOM 84 NE2 GLN A 5 -5.591 -1.783 -6.912 1.00 0.00 N +ATOM 85 H GLN A 5 -5.269 0.277 -1.662 1.00 0.00 H +ATOM 86 HA GLN A 5 -4.597 -2.273 -2.805 1.00 0.00 H +ATOM 87 HB2 GLN A 5 -4.227 0.606 -3.547 1.00 0.00 H +ATOM 88 HB3 GLN A 5 -3.305 -0.586 -4.439 1.00 0.00 H +ATOM 89 HG2 GLN A 5 -6.272 -0.904 -4.086 1.00 0.00 H +ATOM 90 HG3 GLN A 5 -5.620 0.176 -5.336 1.00 0.00 H +ATOM 91 HE21 GLN A 5 -6.009 -0.948 -7.281 1.00 0.00 H +ATOM 92 HE22 GLN A 5 -5.424 -2.601 -7.488 1.00 0.00 H +ATOM 93 N TRP A 6 -2.061 -0.590 -1.483 1.00 0.00 N +ATOM 94 CA TRP A 6 -0.707 -0.761 -0.942 1.00 0.00 C +ATOM 95 C TRP A 6 -0.625 -1.886 0.103 1.00 0.00 C +ATOM 96 O TRP A 6 0.254 -2.748 0.014 1.00 0.00 O +ATOM 97 CB TRP A 6 -0.203 0.570 -0.378 1.00 0.00 C +ATOM 98 CG TRP A 6 1.188 0.516 0.176 1.00 0.00 C +ATOM 99 CD1 TRP A 6 2.328 0.543 -0.554 1.00 0.00 C +ATOM 100 CD2 TRP A 6 1.611 0.411 1.571 1.00 0.00 C +ATOM 101 NE1 TRP A 6 3.420 0.431 0.286 1.00 0.00 N +ATOM 102 CE2 TRP A 6 3.036 0.358 1.604 1.00 0.00 C +ATOM 103 CE3 TRP A 6 0.941 0.370 2.813 1.00 0.00 C +ATOM 104 CZ2 TRP A 6 3.764 0.276 2.797 1.00 0.00 C +ATOM 105 CZ3 TRP A 6 1.660 0.285 4.021 1.00 0.00 C +ATOM 106 CH2 TRP A 6 3.067 0.241 4.016 1.00 0.00 C +ATOM 107 H TRP A 6 -2.536 0.304 -1.365 1.00 0.00 H +ATOM 108 HA TRP A 6 -0.047 -1.048 -1.761 1.00 0.00 H +ATOM 109 HB2 TRP A 6 -0.223 1.298 -1.166 1.00 0.00 H +ATOM 110 HB3 TRP A 6 -0.876 0.904 0.412 1.00 0.00 H +ATOM 111 HD1 TRP A 6 2.371 0.637 -1.631 1.00 0.00 H +ATOM 112 HE1 TRP A 6 4.399 0.438 -0.005 1.00 0.00 H +ATOM 113 HE3 TRP A 6 -0.139 0.419 2.832 1.00 0.00 H +ATOM 114 HZ2 TRP A 6 4.843 0.240 2.765 1.00 0.00 H +ATOM 115 HZ3 TRP A 6 1.130 0.269 4.964 1.00 0.00 H +ATOM 116 HH2 TRP A 6 3.612 0.191 4.946 1.00 0.00 H +ATOM 117 N LEU A 7 -1.566 -1.931 1.058 1.00 0.00 N +ATOM 118 CA LEU A 7 -1.690 -3.054 1.991 1.00 0.00 C +ATOM 119 C LEU A 7 -1.955 -4.378 1.260 1.00 0.00 C +ATOM 120 O LEU A 7 -1.318 -5.376 1.595 1.00 0.00 O +ATOM 121 CB LEU A 7 -2.786 -2.777 3.037 1.00 0.00 C +ATOM 122 CG LEU A 7 -2.391 -1.764 4.129 1.00 0.00 C +ATOM 123 CD1 LEU A 7 -3.612 -1.492 5.013 1.00 0.00 C +ATOM 124 CD2 LEU A 7 -1.258 -2.274 5.027 1.00 0.00 C +ATOM 125 H LEU A 7 -2.249 -1.176 1.107 1.00 0.00 H +ATOM 126 HA LEU A 7 -0.737 -3.180 2.499 1.00 0.00 H +ATOM 127 HB2 LEU A 7 -3.649 -2.397 2.525 1.00 0.00 H +ATOM 128 HB3 LEU A 7 -3.042 -3.717 3.527 1.00 0.00 H +ATOM 129 HG LEU A 7 -2.078 -0.829 3.669 1.00 0.00 H +ATOM 130 HD11 LEU A 7 -4.419 -1.078 4.410 1.00 0.00 H +ATOM 131 HD12 LEU A 7 -3.953 -2.420 5.476 1.00 0.00 H +ATOM 132 HD13 LEU A 7 -3.357 -0.782 5.798 1.00 0.00 H +ATOM 133 HD21 LEU A 7 -1.530 -3.234 5.465 1.00 0.00 H +ATOM 134 HD22 LEU A 7 -0.339 -2.386 4.455 1.00 0.00 H +ATOM 135 HD23 LEU A 7 -1.069 -1.559 5.827 1.00 0.00 H +ATOM 136 N LYS A 8 -2.824 -4.393 0.234 1.00 0.00 N +ATOM 137 CA LYS A 8 -3.130 -5.587 -0.573 1.00 0.00 C +ATOM 138 C LYS A 8 -1.901 -6.192 -1.263 1.00 0.00 C +ATOM 139 O LYS A 8 -1.908 -7.378 -1.579 1.00 0.00 O +ATOM 140 CB LYS A 8 -4.203 -5.259 -1.628 1.00 0.00 C +ATOM 141 CG LYS A 8 -5.048 -6.490 -2.013 1.00 0.00 C +ATOM 142 CD LYS A 8 -5.129 -6.766 -3.523 1.00 0.00 C +ATOM 143 CE LYS A 8 -3.903 -7.532 -4.050 1.00 0.00 C +ATOM 144 NZ LYS A 8 -2.952 -6.665 -4.790 1.00 0.00 N +ATOM 145 H LYS A 8 -3.348 -3.538 0.053 1.00 0.00 H +ATOM 146 HA LYS A 8 -3.517 -6.346 0.108 1.00 0.00 H +ATOM 147 HB2 LYS A 8 -4.855 -4.504 -1.233 1.00 0.00 H +ATOM 148 HB3 LYS A 8 -3.725 -4.833 -2.511 1.00 0.00 H +ATOM 149 HG2 LYS A 8 -4.619 -7.352 -1.538 1.00 0.00 H +ATOM 150 HG3 LYS A 8 -6.060 -6.319 -1.647 1.00 0.00 H +ATOM 151 HD2 LYS A 8 -6.009 -7.348 -3.720 1.00 0.00 H +ATOM 152 HD3 LYS A 8 -5.287 -5.837 -4.075 1.00 0.00 H +ATOM 153 HE2 LYS A 8 -3.389 -7.970 -3.216 1.00 0.00 H +ATOM 154 HE3 LYS A 8 -4.260 -8.327 -4.710 1.00 0.00 H +ATOM 155 HZ1 LYS A 8 -3.417 -6.219 -5.569 1.00 0.00 H +ATOM 156 HZ2 LYS A 8 -2.573 -5.948 -4.185 1.00 0.00 H +ATOM 157 HZ3 LYS A 8 -2.177 -7.215 -5.141 1.00 0.00 H +ATOM 158 N ASP A 9 -0.868 -5.389 -1.528 1.00 0.00 N +ATOM 159 CA ASP A 9 0.415 -5.850 -2.062 1.00 0.00 C +ATOM 160 C ASP A 9 1.361 -6.433 -0.997 1.00 0.00 C +ATOM 161 O ASP A 9 2.393 -7.000 -1.356 1.00 0.00 O +ATOM 162 CB ASP A 9 1.128 -4.679 -2.755 1.00 0.00 C +ATOM 163 CG ASP A 9 1.821 -5.147 -4.033 1.00 0.00 C +ATOM 164 OD1 ASP A 9 1.092 -5.500 -4.985 1.00 0.00 O +ATOM 165 OD2 ASP A 9 3.071 -5.076 -4.089 1.00 0.00 O +ATOM 166 H ASP A 9 -0.983 -4.400 -1.335 1.00 0.00 H +ATOM 167 HA ASP A 9 0.222 -6.632 -2.802 1.00 0.00 H +ATOM 168 HB2 ASP A 9 0.407 -3.924 -3.002 1.00 0.00 H +ATOM 169 HB3 ASP A 9 1.858 -4.239 -2.072 1.00 0.00 H +ATOM 170 N GLY A 10 1.065 -6.245 0.295 1.00 0.00 N +ATOM 171 CA GLY A 10 1.887 -6.698 1.422 1.00 0.00 C +ATOM 172 C GLY A 10 2.425 -5.583 2.330 1.00 0.00 C +ATOM 173 O GLY A 10 3.181 -5.881 3.256 1.00 0.00 O +ATOM 174 H GLY A 10 0.187 -5.780 0.519 1.00 0.00 H +ATOM 175 HA2 GLY A 10 1.284 -7.365 2.037 1.00 0.00 H +ATOM 176 HA3 GLY A 10 2.742 -7.268 1.059 1.00 0.00 H +ATOM 177 N GLY A 11 2.061 -4.312 2.104 1.00 0.00 N +ATOM 178 CA GLY A 11 2.490 -3.202 2.957 1.00 0.00 C +ATOM 179 C GLY A 11 4.026 -3.036 2.995 1.00 0.00 C +ATOM 180 O GLY A 11 4.652 -3.007 1.932 1.00 0.00 O +ATOM 181 H GLY A 11 1.472 -4.098 1.305 1.00 0.00 H +ATOM 182 HA2 GLY A 11 2.054 -2.278 2.582 1.00 0.00 H +ATOM 183 HA3 GLY A 11 2.093 -3.382 3.955 1.00 0.00 H +ATOM 184 N PRO A 12 4.674 -2.922 4.179 1.00 0.00 N +ATOM 185 CA PRO A 12 6.124 -2.708 4.301 1.00 0.00 C +ATOM 186 C PRO A 12 7.022 -3.877 3.833 1.00 0.00 C +ATOM 187 O PRO A 12 8.218 -3.871 4.113 1.00 0.00 O +ATOM 188 CB PRO A 12 6.391 -2.376 5.780 1.00 0.00 C +ATOM 189 CG PRO A 12 5.023 -2.264 6.447 1.00 0.00 C +ATOM 190 CD PRO A 12 4.073 -2.998 5.504 1.00 0.00 C +ATOM 191 HA PRO A 12 6.387 -1.837 3.703 1.00 0.00 H +ATOM 192 HB2 PRO A 12 6.965 -3.158 6.239 1.00 0.00 H +ATOM 193 HB3 PRO A 12 6.935 -1.434 5.867 1.00 0.00 H +ATOM 194 HG2 PRO A 12 5.033 -2.731 7.413 1.00 0.00 H +ATOM 195 HG3 PRO A 12 4.734 -1.214 6.511 1.00 0.00 H +ATOM 196 HD2 PRO A 12 3.967 -4.022 5.806 1.00 0.00 H +ATOM 197 HD3 PRO A 12 3.094 -2.523 5.547 1.00 0.00 H +ATOM 198 N SER A 13 6.477 -4.893 3.152 1.00 0.00 N +ATOM 199 CA SER A 13 7.175 -6.119 2.726 1.00 0.00 C +ATOM 200 C SER A 13 7.263 -6.275 1.201 1.00 0.00 C +ATOM 201 O SER A 13 7.639 -7.338 0.711 1.00 0.00 O +ATOM 202 CB SER A 13 6.505 -7.331 3.383 1.00 0.00 C +ATOM 203 OG SER A 13 6.754 -7.284 4.773 1.00 0.00 O +ATOM 204 H SER A 13 5.498 -4.804 2.901 1.00 0.00 H +ATOM 205 HA SER A 13 8.208 -6.093 3.078 1.00 0.00 H +ATOM 206 HB2 SER A 13 5.448 -7.301 3.204 1.00 0.00 H +ATOM 207 HB3 SER A 13 6.916 -8.258 2.983 1.00 0.00 H +ATOM 208 HG SER A 13 6.699 -6.365 5.049 1.00 0.00 H +ATOM 209 N SER A 14 6.946 -5.213 0.448 1.00 0.00 N +ATOM 210 CA SER A 14 6.719 -5.256 -1.005 1.00 0.00 C +ATOM 211 C SER A 14 7.679 -4.357 -1.805 1.00 0.00 C +ATOM 212 O SER A 14 7.475 -4.156 -3.000 1.00 0.00 O +ATOM 213 CB SER A 14 5.251 -4.902 -1.299 1.00 0.00 C +ATOM 214 OG SER A 14 4.376 -5.610 -0.441 1.00 0.00 O +ATOM 215 H SER A 14 6.585 -4.411 0.948 1.00 0.00 H +ATOM 216 HA SER A 14 6.876 -6.275 -1.359 1.00 0.00 H +ATOM 217 HB2 SER A 14 5.108 -3.848 -1.154 1.00 0.00 H +ATOM 218 HB3 SER A 14 5.023 -5.134 -2.341 1.00 0.00 H +ATOM 219 HG SER A 14 3.677 -6.081 -0.956 1.00 0.00 H +ATOM 220 N GLY A 15 8.709 -3.785 -1.159 1.00 0.00 N +ATOM 221 CA GLY A 15 9.714 -2.925 -1.800 1.00 0.00 C +ATOM 222 C GLY A 15 9.190 -1.564 -2.282 1.00 0.00 C +ATOM 223 O GLY A 15 9.812 -0.954 -3.149 1.00 0.00 O +ATOM 224 H GLY A 15 8.834 -4.046 -0.191 1.00 0.00 H +ATOM 225 HA2 GLY A 15 10.523 -2.738 -1.093 1.00 0.00 H +ATOM 226 HA3 GLY A 15 10.138 -3.448 -2.658 1.00 0.00 H +ATOM 227 N ARG A 16 8.055 -1.092 -1.742 1.00 0.00 N +ATOM 228 CA ARG A 16 7.352 0.126 -2.173 1.00 0.00 C +ATOM 229 C ARG A 16 6.879 0.975 -0.975 1.00 0.00 C +ATOM 230 O ARG A 16 6.283 0.422 -0.047 1.00 0.00 O +ATOM 231 CB ARG A 16 6.179 -0.250 -3.105 1.00 0.00 C +ATOM 232 CG ARG A 16 5.216 -1.290 -2.506 1.00 0.00 C +ATOM 233 CD ARG A 16 3.913 -1.453 -3.294 1.00 0.00 C +ATOM 234 NE ARG A 16 3.979 -2.564 -4.251 1.00 0.00 N +ATOM 235 CZ ARG A 16 4.099 -2.562 -5.568 1.00 0.00 C +ATOM 236 NH1 ARG A 16 4.326 -1.471 -6.261 1.00 0.00 N +ATOM 237 NH2 ARG A 16 3.956 -3.703 -6.191 1.00 0.00 N +ATOM 238 H ARG A 16 7.635 -1.646 -1.010 1.00 0.00 H +ATOM 239 HA ARG A 16 8.053 0.718 -2.760 1.00 0.00 H +ATOM 240 HB2 ARG A 16 5.622 0.641 -3.323 1.00 0.00 H +ATOM 241 HB3 ARG A 16 6.585 -0.650 -4.035 1.00 0.00 H +ATOM 242 HG2 ARG A 16 5.716 -2.239 -2.480 1.00 0.00 H +ATOM 243 HG3 ARG A 16 4.938 -1.000 -1.497 1.00 0.00 H +ATOM 244 HD2 ARG A 16 3.113 -1.638 -2.604 1.00 0.00 H +ATOM 245 HD3 ARG A 16 3.642 -0.518 -3.782 1.00 0.00 H +ATOM 246 HE ARG A 16 3.778 -3.506 -3.901 1.00 0.00 H +ATOM 247 HH11 ARG A 16 4.431 -0.607 -5.761 1.00 0.00 H +ATOM 248 HH12 ARG A 16 4.393 -1.513 -7.260 1.00 0.00 H +ATOM 249 HH21 ARG A 16 3.656 -4.483 -5.580 1.00 0.00 H +ATOM 250 HH22 ARG A 16 3.997 -3.809 -7.186 1.00 0.00 H +ATOM 251 N PRO A 17 7.088 2.308 -0.976 1.00 0.00 N +ATOM 252 CA PRO A 17 6.623 3.182 0.103 1.00 0.00 C +ATOM 253 C PRO A 17 5.085 3.329 0.103 1.00 0.00 C +ATOM 254 O PRO A 17 4.453 3.095 -0.930 1.00 0.00 O +ATOM 255 CB PRO A 17 7.322 4.523 -0.149 1.00 0.00 C +ATOM 256 CG PRO A 17 7.496 4.553 -1.666 1.00 0.00 C +ATOM 257 CD PRO A 17 7.747 3.086 -2.015 1.00 0.00 C +ATOM 258 HA PRO A 17 6.949 2.777 1.062 1.00 0.00 H +ATOM 259 HB2 PRO A 17 6.713 5.342 0.184 1.00 0.00 H +ATOM 260 HB3 PRO A 17 8.304 4.513 0.328 1.00 0.00 H +ATOM 261 HG2 PRO A 17 6.610 4.918 -2.148 1.00 0.00 H +ATOM 262 HG3 PRO A 17 8.331 5.187 -1.966 1.00 0.00 H +ATOM 263 HD2 PRO A 17 7.329 2.855 -2.976 1.00 0.00 H +ATOM 264 HD3 PRO A 17 8.819 2.881 -1.995 1.00 0.00 H +ATOM 265 N PRO A 18 4.472 3.730 1.236 1.00 0.00 N +ATOM 266 CA PRO A 18 3.027 3.921 1.331 1.00 0.00 C +ATOM 267 C PRO A 18 2.560 5.180 0.573 1.00 0.00 C +ATOM 268 O PRO A 18 3.278 6.182 0.545 1.00 0.00 O +ATOM 269 CB PRO A 18 2.729 4.033 2.829 1.00 0.00 C +ATOM 270 CG PRO A 18 4.024 4.603 3.406 1.00 0.00 C +ATOM 271 CD PRO A 18 5.103 3.976 2.524 1.00 0.00 C +ATOM 272 HA PRO A 18 2.530 3.041 0.935 1.00 0.00 H +ATOM 273 HB2 PRO A 18 1.904 4.696 3.008 1.00 0.00 H +ATOM 274 HB3 PRO A 18 2.555 3.040 3.241 1.00 0.00 H +ATOM 275 HG2 PRO A 18 4.040 5.673 3.332 1.00 0.00 H +ATOM 276 HG3 PRO A 18 4.152 4.336 4.455 1.00 0.00 H +ATOM 277 HD2 PRO A 18 5.931 4.649 2.412 1.00 0.00 H +ATOM 278 HD3 PRO A 18 5.423 3.028 2.956 1.00 0.00 H +ATOM 279 N PRO A 19 1.350 5.165 -0.019 1.00 0.00 N +ATOM 280 CA PRO A 19 0.784 6.306 -0.729 1.00 0.00 C +ATOM 281 C PRO A 19 0.140 7.315 0.240 1.00 0.00 C +ATOM 282 O PRO A 19 -0.739 6.964 1.032 1.00 0.00 O +ATOM 283 CB PRO A 19 -0.244 5.698 -1.684 1.00 0.00 C +ATOM 284 CG PRO A 19 -0.754 4.477 -0.918 1.00 0.00 C +ATOM 285 CD PRO A 19 0.472 4.010 -0.137 1.00 0.00 C +ATOM 286 HA PRO A 19 1.559 6.806 -1.311 1.00 0.00 H +ATOM 287 HB2 PRO A 19 -1.041 6.389 -1.882 1.00 0.00 H +ATOM 288 HB3 PRO A 19 0.259 5.368 -2.595 1.00 0.00 H +ATOM 289 HG2 PRO A 19 -1.552 4.747 -0.254 1.00 0.00 H +ATOM 290 HG3 PRO A 19 -1.111 3.700 -1.593 1.00 0.00 H +ATOM 291 HD2 PRO A 19 0.182 3.664 0.836 1.00 0.00 H +ATOM 292 HD3 PRO A 19 0.986 3.234 -0.702 1.00 0.00 H +ATOM 293 N SER A 20 0.543 8.582 0.113 1.00 0.00 N +ATOM 294 CA SER A 20 0.016 9.748 0.833 1.00 0.00 C +ATOM 295 C SER A 20 -0.159 10.912 -0.134 1.00 0.00 C +ATOM 296 O SER A 20 -1.277 11.467 -0.133 1.00 0.00 O +ATOM 297 CB SER A 20 0.963 10.142 1.970 1.00 0.00 C +ATOM 298 OG SER A 20 0.800 9.241 3.044 1.00 0.00 O +ATOM 299 OXT SER A 20 0.816 11.191 -0.866 1.00 0.00 O +ATOM 300 H SER A 20 1.245 8.811 -0.579 1.00 0.00 H +ATOM 301 HA SER A 20 -0.972 9.534 1.233 1.00 0.00 H +ATOM 302 HB2 SER A 20 1.977 10.105 1.621 1.00 0.00 H +ATOM 303 HB3 SER A 20 0.729 11.154 2.307 1.00 0.00 H +ATOM 304 HG SER A 20 -0.132 9.020 3.102 1.00 0.00 H +TER 305 SER A 20 +ENDMDL +MODEL 35 +ATOM 1 N ASN A 1 -5.868 7.107 0.465 1.00 0.00 N +ATOM 2 CA ASN A 1 -6.755 6.451 -0.528 1.00 0.00 C +ATOM 3 C ASN A 1 -6.147 5.130 -1.011 1.00 0.00 C +ATOM 4 O ASN A 1 -6.599 4.083 -0.564 1.00 0.00 O +ATOM 5 CB ASN A 1 -7.175 7.413 -1.661 1.00 0.00 C +ATOM 6 CG ASN A 1 -8.572 7.064 -2.164 1.00 0.00 C +ATOM 7 OD1 ASN A 1 -8.793 5.981 -2.676 1.00 0.00 O +ATOM 8 ND2 ASN A 1 -9.552 7.938 -2.002 1.00 0.00 N +ATOM 9 H1 ASN A 1 -5.629 6.454 1.200 1.00 0.00 H +ATOM 10 H2 ASN A 1 -5.021 7.437 0.025 1.00 0.00 H +ATOM 11 H3 ASN A 1 -6.346 7.894 0.882 1.00 0.00 H +ATOM 12 HA ASN A 1 -7.671 6.165 -0.007 1.00 0.00 H +ATOM 13 HB2 ASN A 1 -7.174 8.419 -1.289 1.00 0.00 H +ATOM 14 HB3 ASN A 1 -6.479 7.362 -2.498 1.00 0.00 H +ATOM 15 HD21 ASN A 1 -9.433 8.852 -1.600 1.00 0.00 H +ATOM 16 HD22 ASN A 1 -10.445 7.627 -2.351 1.00 0.00 H +ATOM 17 N LEU A 2 -5.067 5.159 -1.809 1.00 0.00 N +ATOM 18 CA LEU A 2 -4.393 3.972 -2.370 1.00 0.00 C +ATOM 19 C LEU A 2 -3.815 2.986 -1.322 1.00 0.00 C +ATOM 20 O LEU A 2 -3.405 1.881 -1.670 1.00 0.00 O +ATOM 21 CB LEU A 2 -3.318 4.475 -3.359 1.00 0.00 C +ATOM 22 CG LEU A 2 -2.775 3.391 -4.321 1.00 0.00 C +ATOM 23 CD1 LEU A 2 -2.886 3.852 -5.776 1.00 0.00 C +ATOM 24 CD2 LEU A 2 -1.305 3.059 -4.036 1.00 0.00 C +ATOM 25 H LEU A 2 -4.731 6.044 -2.158 1.00 0.00 H +ATOM 26 HA LEU A 2 -5.136 3.416 -2.944 1.00 0.00 H +ATOM 27 HB2 LEU A 2 -3.747 5.262 -3.949 1.00 0.00 H +ATOM 28 HB3 LEU A 2 -2.496 4.924 -2.803 1.00 0.00 H +ATOM 29 HG LEU A 2 -3.366 2.482 -4.221 1.00 0.00 H +ATOM 30 HD11 LEU A 2 -3.924 4.091 -6.007 1.00 0.00 H +ATOM 31 HD12 LEU A 2 -2.264 4.732 -5.945 1.00 0.00 H +ATOM 32 HD13 LEU A 2 -2.567 3.048 -6.440 1.00 0.00 H +ATOM 33 HD21 LEU A 2 -0.682 3.941 -4.189 1.00 0.00 H +ATOM 34 HD22 LEU A 2 -1.195 2.711 -3.010 1.00 0.00 H +ATOM 35 HD23 LEU A 2 -0.974 2.268 -4.708 1.00 0.00 H +ATOM 36 N TYR A 3 -3.811 3.352 -0.033 1.00 0.00 N +ATOM 37 CA TYR A 3 -3.274 2.565 1.082 1.00 0.00 C +ATOM 38 C TYR A 3 -3.871 1.151 1.162 1.00 0.00 C +ATOM 39 O TYR A 3 -3.162 0.203 1.485 1.00 0.00 O +ATOM 40 CB TYR A 3 -3.498 3.331 2.395 1.00 0.00 C +ATOM 41 CG TYR A 3 -2.474 3.026 3.471 1.00 0.00 C +ATOM 42 CD1 TYR A 3 -2.556 1.845 4.232 1.00 0.00 C +ATOM 43 CD2 TYR A 3 -1.445 3.950 3.728 1.00 0.00 C +ATOM 44 CE1 TYR A 3 -1.614 1.596 5.250 1.00 0.00 C +ATOM 45 CE2 TYR A 3 -0.515 3.719 4.759 1.00 0.00 C +ATOM 46 CZ TYR A 3 -0.602 2.538 5.524 1.00 0.00 C +ATOM 47 OH TYR A 3 0.272 2.308 6.543 1.00 0.00 O +ATOM 48 H TYR A 3 -4.199 4.255 0.180 1.00 0.00 H +ATOM 49 HA TYR A 3 -2.199 2.466 0.933 1.00 0.00 H +ATOM 50 HB2 TYR A 3 -3.461 4.382 2.183 1.00 0.00 H +ATOM 51 HB3 TYR A 3 -4.496 3.115 2.779 1.00 0.00 H +ATOM 52 HD1 TYR A 3 -3.347 1.135 4.044 1.00 0.00 H +ATOM 53 HD2 TYR A 3 -1.383 4.866 3.163 1.00 0.00 H +ATOM 54 HE1 TYR A 3 -1.662 0.704 5.850 1.00 0.00 H +ATOM 55 HE2 TYR A 3 0.238 4.465 4.970 1.00 0.00 H +ATOM 56 HH TYR A 3 0.748 3.106 6.781 1.00 0.00 H +ATOM 57 N ILE A 4 -5.156 0.994 0.814 1.00 0.00 N +ATOM 58 CA ILE A 4 -5.850 -0.301 0.744 1.00 0.00 C +ATOM 59 C ILE A 4 -5.166 -1.221 -0.284 1.00 0.00 C +ATOM 60 O ILE A 4 -4.867 -2.383 0.001 1.00 0.00 O +ATOM 61 CB ILE A 4 -7.341 -0.069 0.393 1.00 0.00 C +ATOM 62 CG1 ILE A 4 -8.074 0.816 1.434 1.00 0.00 C +ATOM 63 CG2 ILE A 4 -8.093 -1.407 0.261 1.00 0.00 C +ATOM 64 CD1 ILE A 4 -9.121 1.725 0.775 1.00 0.00 C +ATOM 65 H ILE A 4 -5.666 1.828 0.551 1.00 0.00 H +ATOM 66 HA ILE A 4 -5.792 -0.788 1.718 1.00 0.00 H +ATOM 67 HB ILE A 4 -7.379 0.436 -0.575 1.00 0.00 H +ATOM 68 HG12 ILE A 4 -8.565 0.180 2.146 1.00 0.00 H +ATOM 69 HG13 ILE A 4 -7.376 1.460 1.967 1.00 0.00 H +ATOM 70 HG21 ILE A 4 -7.735 -1.962 -0.606 1.00 0.00 H +ATOM 71 HG22 ILE A 4 -7.943 -2.009 1.159 1.00 0.00 H +ATOM 72 HG23 ILE A 4 -9.159 -1.227 0.131 1.00 0.00 H +ATOM 73 HD11 ILE A 4 -8.623 2.466 0.151 1.00 0.00 H +ATOM 74 HD12 ILE A 4 -9.802 1.138 0.157 1.00 0.00 H +ATOM 75 HD13 ILE A 4 -9.693 2.241 1.546 1.00 0.00 H +ATOM 76 N GLN A 5 -4.893 -0.684 -1.479 1.00 0.00 N +ATOM 77 CA GLN A 5 -4.220 -1.377 -2.577 1.00 0.00 C +ATOM 78 C GLN A 5 -2.743 -1.658 -2.245 1.00 0.00 C +ATOM 79 O GLN A 5 -2.248 -2.748 -2.519 1.00 0.00 O +ATOM 80 CB GLN A 5 -4.380 -0.533 -3.859 1.00 0.00 C +ATOM 81 CG GLN A 5 -4.875 -1.373 -5.046 1.00 0.00 C +ATOM 82 CD GLN A 5 -5.310 -0.493 -6.218 1.00 0.00 C +ATOM 83 OE1 GLN A 5 -4.652 0.465 -6.592 1.00 0.00 O +ATOM 84 NE2 GLN A 5 -6.447 -0.772 -6.830 1.00 0.00 N +ATOM 85 H GLN A 5 -5.079 0.301 -1.598 1.00 0.00 H +ATOM 86 HA GLN A 5 -4.712 -2.339 -2.718 1.00 0.00 H +ATOM 87 HB2 GLN A 5 -5.088 0.251 -3.671 1.00 0.00 H +ATOM 88 HB3 GLN A 5 -3.433 -0.060 -4.120 1.00 0.00 H +ATOM 89 HG2 GLN A 5 -4.081 -2.018 -5.371 1.00 0.00 H +ATOM 90 HG3 GLN A 5 -5.728 -1.974 -4.725 1.00 0.00 H +ATOM 91 HE21 GLN A 5 -7.033 -1.546 -6.574 1.00 0.00 H +ATOM 92 HE22 GLN A 5 -6.664 -0.145 -7.586 1.00 0.00 H +ATOM 93 N TRP A 6 -2.061 -0.708 -1.593 1.00 0.00 N +ATOM 94 CA TRP A 6 -0.699 -0.882 -1.080 1.00 0.00 C +ATOM 95 C TRP A 6 -0.600 -1.986 -0.008 1.00 0.00 C +ATOM 96 O TRP A 6 0.299 -2.830 -0.069 1.00 0.00 O +ATOM 97 CB TRP A 6 -0.198 0.465 -0.550 1.00 0.00 C +ATOM 98 CG TRP A 6 1.182 0.437 0.022 1.00 0.00 C +ATOM 99 CD1 TRP A 6 2.329 0.427 -0.694 1.00 0.00 C +ATOM 100 CD2 TRP A 6 1.580 0.373 1.425 1.00 0.00 C +ATOM 101 NE1 TRP A 6 3.407 0.351 0.167 1.00 0.00 N +ATOM 102 CE2 TRP A 6 3.005 0.332 1.482 1.00 0.00 C +ATOM 103 CE3 TRP A 6 0.886 0.337 2.656 1.00 0.00 C +ATOM 104 CZ2 TRP A 6 3.709 0.283 2.693 1.00 0.00 C +ATOM 105 CZ3 TRP A 6 1.584 0.265 3.877 1.00 0.00 C +ATOM 106 CH2 TRP A 6 2.991 0.248 3.900 1.00 0.00 C +ATOM 107 H TRP A 6 -2.532 0.184 -1.455 1.00 0.00 H +ATOM 108 HA TRP A 6 -0.054 -1.185 -1.905 1.00 0.00 H +ATOM 109 HB2 TRP A 6 -0.210 1.168 -1.360 1.00 0.00 H +ATOM 110 HB3 TRP A 6 -0.877 0.814 0.226 1.00 0.00 H +ATOM 111 HD1 TRP A 6 2.391 0.455 -1.774 1.00 0.00 H +ATOM 112 HE1 TRP A 6 4.385 0.314 -0.130 1.00 0.00 H +ATOM 113 HE3 TRP A 6 -0.194 0.363 2.653 1.00 0.00 H +ATOM 114 HZ2 TRP A 6 4.789 0.251 2.682 1.00 0.00 H +ATOM 115 HZ3 TRP A 6 1.036 0.230 4.808 1.00 0.00 H +ATOM 116 HH2 TRP A 6 3.515 0.202 4.842 1.00 0.00 H +ATOM 117 N LEU A 7 -1.541 -2.027 0.949 1.00 0.00 N +ATOM 118 CA LEU A 7 -1.640 -3.112 1.929 1.00 0.00 C +ATOM 119 C LEU A 7 -1.889 -4.468 1.261 1.00 0.00 C +ATOM 120 O LEU A 7 -1.238 -5.436 1.646 1.00 0.00 O +ATOM 121 CB LEU A 7 -2.740 -2.826 2.968 1.00 0.00 C +ATOM 122 CG LEU A 7 -2.343 -1.833 4.074 1.00 0.00 C +ATOM 123 CD1 LEU A 7 -3.572 -1.572 4.953 1.00 0.00 C +ATOM 124 CD2 LEU A 7 -1.217 -2.363 4.972 1.00 0.00 C +ATOM 125 H LEU A 7 -2.224 -1.274 0.990 1.00 0.00 H +ATOM 126 HA LEU A 7 -0.682 -3.200 2.437 1.00 0.00 H +ATOM 127 HB2 LEU A 7 -3.591 -2.427 2.451 1.00 0.00 H +ATOM 128 HB3 LEU A 7 -3.015 -3.766 3.448 1.00 0.00 H +ATOM 129 HG LEU A 7 -2.019 -0.896 3.626 1.00 0.00 H +ATOM 130 HD11 LEU A 7 -4.372 -1.143 4.348 1.00 0.00 H +ATOM 131 HD12 LEU A 7 -3.920 -2.504 5.398 1.00 0.00 H +ATOM 132 HD13 LEU A 7 -3.325 -0.876 5.753 1.00 0.00 H +ATOM 133 HD21 LEU A 7 -1.486 -3.340 5.377 1.00 0.00 H +ATOM 134 HD22 LEU A 7 -0.290 -2.450 4.406 1.00 0.00 H +ATOM 135 HD23 LEU A 7 -1.040 -1.673 5.795 1.00 0.00 H +ATOM 136 N LYS A 8 -2.770 -4.540 0.248 1.00 0.00 N +ATOM 137 CA LYS A 8 -3.034 -5.773 -0.517 1.00 0.00 C +ATOM 138 C LYS A 8 -1.772 -6.426 -1.091 1.00 0.00 C +ATOM 139 O LYS A 8 -1.728 -7.650 -1.174 1.00 0.00 O +ATOM 140 CB LYS A 8 -4.047 -5.506 -1.649 1.00 0.00 C +ATOM 141 CG LYS A 8 -5.490 -5.877 -1.287 1.00 0.00 C +ATOM 142 CD LYS A 8 -5.698 -7.403 -1.249 1.00 0.00 C +ATOM 143 CE LYS A 8 -7.160 -7.768 -0.972 1.00 0.00 C +ATOM 144 NZ LYS A 8 -8.019 -7.558 -2.161 1.00 0.00 N +ATOM 145 H LYS A 8 -3.298 -3.699 0.023 1.00 0.00 H +ATOM 146 HA LYS A 8 -3.441 -6.510 0.174 1.00 0.00 H +ATOM 147 HB2 LYS A 8 -4.017 -4.461 -1.891 1.00 0.00 H +ATOM 148 HB3 LYS A 8 -3.763 -6.070 -2.541 1.00 0.00 H +ATOM 149 HG2 LYS A 8 -5.721 -5.471 -0.321 1.00 0.00 H +ATOM 150 HG3 LYS A 8 -6.147 -5.448 -2.044 1.00 0.00 H +ATOM 151 HD2 LYS A 8 -5.409 -7.817 -2.196 1.00 0.00 H +ATOM 152 HD3 LYS A 8 -5.085 -7.829 -0.456 1.00 0.00 H +ATOM 153 HE2 LYS A 8 -7.211 -8.801 -0.686 1.00 0.00 H +ATOM 154 HE3 LYS A 8 -7.517 -7.163 -0.132 1.00 0.00 H +ATOM 155 HZ1 LYS A 8 -7.967 -6.595 -2.466 1.00 0.00 H +ATOM 156 HZ2 LYS A 8 -7.713 -8.153 -2.920 1.00 0.00 H +ATOM 157 HZ3 LYS A 8 -8.983 -7.781 -1.944 1.00 0.00 H +ATOM 158 N ASP A 9 -0.765 -5.631 -1.463 1.00 0.00 N +ATOM 159 CA ASP A 9 0.519 -6.121 -1.972 1.00 0.00 C +ATOM 160 C ASP A 9 1.445 -6.678 -0.865 1.00 0.00 C +ATOM 161 O ASP A 9 2.350 -7.452 -1.161 1.00 0.00 O +ATOM 162 CB ASP A 9 1.192 -4.971 -2.744 1.00 0.00 C +ATOM 163 CG ASP A 9 2.106 -5.477 -3.863 1.00 0.00 C +ATOM 164 OD1 ASP A 9 1.541 -5.942 -4.878 1.00 0.00 O +ATOM 165 OD2 ASP A 9 3.339 -5.352 -3.715 1.00 0.00 O +ATOM 166 H ASP A 9 -0.913 -4.632 -1.417 1.00 0.00 H +ATOM 167 HA ASP A 9 0.324 -6.932 -2.676 1.00 0.00 H +ATOM 168 HB2 ASP A 9 0.429 -4.352 -3.175 1.00 0.00 H +ATOM 169 HB3 ASP A 9 1.743 -4.334 -2.055 1.00 0.00 H +ATOM 170 N GLY A 10 1.199 -6.324 0.409 1.00 0.00 N +ATOM 171 CA GLY A 10 2.035 -6.695 1.561 1.00 0.00 C +ATOM 172 C GLY A 10 2.549 -5.516 2.405 1.00 0.00 C +ATOM 173 O GLY A 10 3.396 -5.721 3.280 1.00 0.00 O +ATOM 174 H GLY A 10 0.336 -5.822 0.592 1.00 0.00 H +ATOM 175 HA2 GLY A 10 1.449 -7.339 2.217 1.00 0.00 H +ATOM 176 HA3 GLY A 10 2.902 -7.263 1.226 1.00 0.00 H +ATOM 177 N GLY A 11 2.066 -4.289 2.167 1.00 0.00 N +ATOM 178 CA GLY A 11 2.482 -3.079 2.879 1.00 0.00 C +ATOM 179 C GLY A 11 4.013 -2.881 2.908 1.00 0.00 C +ATOM 180 O GLY A 11 4.621 -2.749 1.846 1.00 0.00 O +ATOM 181 H GLY A 11 1.409 -4.178 1.404 1.00 0.00 H +ATOM 182 HA2 GLY A 11 2.044 -2.219 2.376 1.00 0.00 H +ATOM 183 HA3 GLY A 11 2.076 -3.118 3.887 1.00 0.00 H +ATOM 184 N PRO A 12 4.676 -2.846 4.086 1.00 0.00 N +ATOM 185 CA PRO A 12 6.134 -2.696 4.170 1.00 0.00 C +ATOM 186 C PRO A 12 6.928 -3.774 3.419 1.00 0.00 C +ATOM 187 O PRO A 12 8.047 -3.516 2.983 1.00 0.00 O +ATOM 188 CB PRO A 12 6.477 -2.732 5.665 1.00 0.00 C +ATOM 189 CG PRO A 12 5.171 -2.350 6.354 1.00 0.00 C +ATOM 190 CD PRO A 12 4.103 -2.919 5.422 1.00 0.00 C +ATOM 191 HA PRO A 12 6.404 -1.720 3.765 1.00 0.00 H +ATOM 192 HB2 PRO A 12 6.791 -3.715 5.961 1.00 0.00 H +ATOM 193 HB3 PRO A 12 7.280 -2.035 5.906 1.00 0.00 H +ATOM 194 HG2 PRO A 12 5.107 -2.794 7.329 1.00 0.00 H +ATOM 195 HG3 PRO A 12 5.083 -1.262 6.389 1.00 0.00 H +ATOM 196 HD2 PRO A 12 3.883 -3.937 5.681 1.00 0.00 H +ATOM 197 HD3 PRO A 12 3.191 -2.329 5.510 1.00 0.00 H +ATOM 198 N SER A 13 6.360 -4.977 3.249 1.00 0.00 N +ATOM 199 CA SER A 13 7.010 -6.099 2.562 1.00 0.00 C +ATOM 200 C SER A 13 6.911 -6.017 1.027 1.00 0.00 C +ATOM 201 O SER A 13 7.428 -6.898 0.345 1.00 0.00 O +ATOM 202 CB SER A 13 6.444 -7.423 3.092 1.00 0.00 C +ATOM 203 OG SER A 13 6.672 -7.521 4.489 1.00 0.00 O +ATOM 204 H SER A 13 5.417 -5.134 3.594 1.00 0.00 H +ATOM 205 HA SER A 13 8.075 -6.080 2.799 1.00 0.00 H +ATOM 206 HB2 SER A 13 5.389 -7.461 2.900 1.00 0.00 H +ATOM 207 HB3 SER A 13 6.937 -8.259 2.596 1.00 0.00 H +ATOM 208 HG SER A 13 7.611 -7.422 4.660 1.00 0.00 H +ATOM 209 N SER A 14 6.292 -4.962 0.480 1.00 0.00 N +ATOM 210 CA SER A 14 6.048 -4.754 -0.957 1.00 0.00 C +ATOM 211 C SER A 14 7.176 -4.018 -1.697 1.00 0.00 C +ATOM 212 O SER A 14 7.059 -3.747 -2.892 1.00 0.00 O +ATOM 213 CB SER A 14 4.777 -3.919 -1.127 1.00 0.00 C +ATOM 214 OG SER A 14 3.709 -4.470 -0.389 1.00 0.00 O +ATOM 215 H SER A 14 5.828 -4.305 1.101 1.00 0.00 H +ATOM 216 HA SER A 14 5.888 -5.719 -1.440 1.00 0.00 H +ATOM 217 HB2 SER A 14 4.964 -2.920 -0.782 1.00 0.00 H +ATOM 218 HB3 SER A 14 4.508 -3.877 -2.181 1.00 0.00 H +ATOM 219 HG SER A 14 2.926 -3.939 -0.562 1.00 0.00 H +ATOM 220 N GLY A 15 8.243 -3.596 -1.007 1.00 0.00 N +ATOM 221 CA GLY A 15 9.361 -2.835 -1.585 1.00 0.00 C +ATOM 222 C GLY A 15 9.056 -1.352 -1.859 1.00 0.00 C +ATOM 223 O GLY A 15 9.930 -0.509 -1.670 1.00 0.00 O +ATOM 224 H GLY A 15 8.265 -3.821 -0.022 1.00 0.00 H +ATOM 225 HA2 GLY A 15 10.215 -2.889 -0.911 1.00 0.00 H +ATOM 226 HA3 GLY A 15 9.653 -3.296 -2.529 1.00 0.00 H +ATOM 227 N ARG A 16 7.831 -1.015 -2.290 1.00 0.00 N +ATOM 228 CA ARG A 16 7.367 0.368 -2.493 1.00 0.00 C +ATOM 229 C ARG A 16 6.877 0.999 -1.170 1.00 0.00 C +ATOM 230 O ARG A 16 6.119 0.344 -0.451 1.00 0.00 O +ATOM 231 CB ARG A 16 6.250 0.369 -3.554 1.00 0.00 C +ATOM 232 CG ARG A 16 5.874 1.792 -3.992 1.00 0.00 C +ATOM 233 CD ARG A 16 4.768 1.802 -5.052 1.00 0.00 C +ATOM 234 NE ARG A 16 4.592 3.152 -5.624 1.00 0.00 N +ATOM 235 CZ ARG A 16 5.342 3.725 -6.562 1.00 0.00 C +ATOM 236 NH1 ARG A 16 6.353 3.099 -7.118 1.00 0.00 N +ATOM 237 NH2 ARG A 16 5.089 4.951 -6.960 1.00 0.00 N +ATOM 238 H ARG A 16 7.202 -1.790 -2.478 1.00 0.00 H +ATOM 239 HA ARG A 16 8.215 0.937 -2.874 1.00 0.00 H +ATOM 240 HB2 ARG A 16 6.587 -0.180 -4.412 1.00 0.00 H +ATOM 241 HB3 ARG A 16 5.369 -0.141 -3.162 1.00 0.00 H +ATOM 242 HG2 ARG A 16 5.534 2.339 -3.134 1.00 0.00 H +ATOM 243 HG3 ARG A 16 6.762 2.274 -4.401 1.00 0.00 H +ATOM 244 HD2 ARG A 16 5.029 1.120 -5.838 1.00 0.00 H +ATOM 245 HD3 ARG A 16 3.833 1.483 -4.587 1.00 0.00 H +ATOM 246 HE ARG A 16 3.843 3.705 -5.240 1.00 0.00 H +ATOM 247 HH11 ARG A 16 6.545 2.161 -6.819 1.00 0.00 H +ATOM 248 HH12 ARG A 16 6.918 3.536 -7.824 1.00 0.00 H +ATOM 249 HH21 ARG A 16 4.328 5.470 -6.560 1.00 0.00 H +ATOM 250 HH22 ARG A 16 5.659 5.373 -7.669 1.00 0.00 H +ATOM 251 N PRO A 17 7.221 2.269 -0.859 1.00 0.00 N +ATOM 252 CA PRO A 17 6.705 2.983 0.318 1.00 0.00 C +ATOM 253 C PRO A 17 5.183 3.245 0.249 1.00 0.00 C +ATOM 254 O PRO A 17 4.594 3.146 -0.833 1.00 0.00 O +ATOM 255 CB PRO A 17 7.498 4.298 0.370 1.00 0.00 C +ATOM 256 CG PRO A 17 7.885 4.544 -1.084 1.00 0.00 C +ATOM 257 CD PRO A 17 8.134 3.131 -1.601 1.00 0.00 C +ATOM 258 HA PRO A 17 6.917 2.397 1.214 1.00 0.00 H +ATOM 259 HB2 PRO A 17 6.889 5.098 0.744 1.00 0.00 H +ATOM 260 HB3 PRO A 17 8.399 4.155 0.967 1.00 0.00 H +ATOM 261 HG2 PRO A 17 7.088 5.020 -1.623 1.00 0.00 H +ATOM 262 HG3 PRO A 17 8.772 5.172 -1.170 1.00 0.00 H +ATOM 263 HD2 PRO A 17 7.928 3.076 -2.653 1.00 0.00 H +ATOM 264 HD3 PRO A 17 9.163 2.835 -1.385 1.00 0.00 H +ATOM 265 N PRO A 18 4.535 3.602 1.379 1.00 0.00 N +ATOM 266 CA PRO A 18 3.098 3.869 1.415 1.00 0.00 C +ATOM 267 C PRO A 18 2.719 5.165 0.669 1.00 0.00 C +ATOM 268 O PRO A 18 3.544 6.071 0.542 1.00 0.00 O +ATOM 269 CB PRO A 18 2.731 3.957 2.902 1.00 0.00 C +ATOM 270 CG PRO A 18 4.030 4.415 3.560 1.00 0.00 C +ATOM 271 CD PRO A 18 5.106 3.739 2.712 1.00 0.00 C +ATOM 272 HA PRO A 18 2.577 3.026 0.967 1.00 0.00 H +ATOM 273 HB2 PRO A 18 1.947 4.671 3.062 1.00 0.00 H +ATOM 274 HB3 PRO A 18 2.465 2.968 3.271 1.00 0.00 H +ATOM 275 HG2 PRO A 18 4.125 5.483 3.523 1.00 0.00 H +ATOM 276 HG3 PRO A 18 4.086 4.106 4.605 1.00 0.00 H +ATOM 277 HD2 PRO A 18 5.991 4.345 2.679 1.00 0.00 H +ATOM 278 HD3 PRO A 18 5.326 2.749 3.115 1.00 0.00 H +ATOM 279 N PRO A 19 1.459 5.284 0.203 1.00 0.00 N +ATOM 280 CA PRO A 19 0.978 6.448 -0.545 1.00 0.00 C +ATOM 281 C PRO A 19 0.572 7.643 0.336 1.00 0.00 C +ATOM 282 O PRO A 19 0.552 8.771 -0.151 1.00 0.00 O +ATOM 283 CB PRO A 19 -0.242 5.929 -1.311 1.00 0.00 C +ATOM 284 CG PRO A 19 -0.801 4.845 -0.388 1.00 0.00 C +ATOM 285 CD PRO A 19 0.449 4.236 0.235 1.00 0.00 C +ATOM 286 HA PRO A 19 1.734 6.784 -1.254 1.00 0.00 H +ATOM 287 HB2 PRO A 19 -0.960 6.711 -1.465 1.00 0.00 H +ATOM 288 HB3 PRO A 19 0.084 5.476 -2.248 1.00 0.00 H +ATOM 289 HG2 PRO A 19 -1.437 5.271 0.364 1.00 0.00 H +ATOM 290 HG3 PRO A 19 -1.352 4.094 -0.947 1.00 0.00 H +ATOM 291 HD2 PRO A 19 0.254 3.936 1.246 1.00 0.00 H +ATOM 292 HD3 PRO A 19 0.782 3.395 -0.374 1.00 0.00 H +ATOM 293 N SER A 20 0.203 7.390 1.598 1.00 0.00 N +ATOM 294 CA SER A 20 -0.287 8.373 2.572 1.00 0.00 C +ATOM 295 C SER A 20 -0.081 7.848 3.993 1.00 0.00 C +ATOM 296 O SER A 20 -0.913 6.978 4.355 1.00 0.00 O +ATOM 297 CB SER A 20 -1.774 8.674 2.311 1.00 0.00 C +ATOM 298 OG SER A 20 -2.506 7.508 2.636 1.00 0.00 O +ATOM 299 OXT SER A 20 0.876 8.292 4.654 1.00 0.00 O +ATOM 300 H SER A 20 0.248 6.431 1.907 1.00 0.00 H +ATOM 301 HA SER A 20 0.288 9.295 2.477 1.00 0.00 H +ATOM 302 HB2 SER A 20 -2.096 9.492 2.926 1.00 0.00 H +ATOM 303 HB3 SER A 20 -1.935 8.957 1.270 1.00 0.00 H +ATOM 304 HG SER A 20 -1.946 7.163 3.425 1.00 0.00 H +TER 305 SER A 20 +ENDMDL +MODEL 36 +ATOM 1 N ASN A 1 -8.345 5.007 0.601 1.00 0.00 N +ATOM 2 CA ASN A 1 -8.415 4.187 -0.632 1.00 0.00 C +ATOM 3 C ASN A 1 -7.045 3.669 -1.059 1.00 0.00 C +ATOM 4 O ASN A 1 -6.816 2.479 -0.901 1.00 0.00 O +ATOM 5 CB ASN A 1 -9.197 4.893 -1.758 1.00 0.00 C +ATOM 6 CG ASN A 1 -10.643 5.166 -1.337 1.00 0.00 C +ATOM 7 OD1 ASN A 1 -10.996 4.994 -0.179 1.00 0.00 O +ATOM 8 ND2 ASN A 1 -11.503 5.612 -2.232 1.00 0.00 N +ATOM 9 H1 ASN A 1 -7.873 4.502 1.338 1.00 0.00 H +ATOM 10 H2 ASN A 1 -7.870 5.880 0.423 1.00 0.00 H +ATOM 11 H3 ASN A 1 -9.297 5.207 0.895 1.00 0.00 H +ATOM 12 HA ASN A 1 -8.987 3.291 -0.382 1.00 0.00 H +ATOM 13 HB2 ASN A 1 -8.717 5.825 -1.987 1.00 0.00 H +ATOM 14 HB3 ASN A 1 -9.208 4.248 -2.640 1.00 0.00 H +ATOM 15 HD21 ASN A 1 -11.263 5.791 -3.194 1.00 0.00 H +ATOM 16 HD22 ASN A 1 -12.436 5.760 -1.880 1.00 0.00 H +ATOM 17 N LEU A 2 -6.121 4.518 -1.533 1.00 0.00 N +ATOM 18 CA LEU A 2 -4.809 4.093 -2.051 1.00 0.00 C +ATOM 19 C LEU A 2 -4.031 3.175 -1.085 1.00 0.00 C +ATOM 20 O LEU A 2 -3.434 2.185 -1.506 1.00 0.00 O +ATOM 21 CB LEU A 2 -3.963 5.337 -2.400 1.00 0.00 C +ATOM 22 CG LEU A 2 -4.300 6.102 -3.694 1.00 0.00 C +ATOM 23 CD1 LEU A 2 -4.155 5.211 -4.929 1.00 0.00 C +ATOM 24 CD2 LEU A 2 -5.687 6.754 -3.691 1.00 0.00 C +ATOM 25 H LEU A 2 -6.348 5.491 -1.680 1.00 0.00 H +ATOM 26 HA LEU A 2 -4.967 3.507 -2.957 1.00 0.00 H +ATOM 27 HB2 LEU A 2 -4.062 6.029 -1.586 1.00 0.00 H +ATOM 28 HB3 LEU A 2 -2.931 5.009 -2.510 1.00 0.00 H +ATOM 29 HG LEU A 2 -3.568 6.906 -3.783 1.00 0.00 H +ATOM 30 HD11 LEU A 2 -3.189 4.708 -4.910 1.00 0.00 H +ATOM 31 HD12 LEU A 2 -4.950 4.465 -4.963 1.00 0.00 H +ATOM 32 HD13 LEU A 2 -4.210 5.824 -5.829 1.00 0.00 H +ATOM 33 HD21 LEU A 2 -6.467 5.996 -3.738 1.00 0.00 H +ATOM 34 HD22 LEU A 2 -5.803 7.376 -2.804 1.00 0.00 H +ATOM 35 HD23 LEU A 2 -5.778 7.392 -4.570 1.00 0.00 H +ATOM 36 N TYR A 3 -4.080 3.473 0.219 1.00 0.00 N +ATOM 37 CA TYR A 3 -3.443 2.669 1.265 1.00 0.00 C +ATOM 38 C TYR A 3 -3.970 1.221 1.326 1.00 0.00 C +ATOM 39 O TYR A 3 -3.220 0.316 1.685 1.00 0.00 O +ATOM 40 CB TYR A 3 -3.618 3.386 2.614 1.00 0.00 C +ATOM 41 CG TYR A 3 -2.451 3.202 3.563 1.00 0.00 C +ATOM 42 CD1 TYR A 3 -2.336 2.022 4.319 1.00 0.00 C +ATOM 43 CD2 TYR A 3 -1.484 4.220 3.700 1.00 0.00 C +ATOM 44 CE1 TYR A 3 -1.266 1.859 5.218 1.00 0.00 C +ATOM 45 CE2 TYR A 3 -0.422 4.070 4.610 1.00 0.00 C +ATOM 46 CZ TYR A 3 -0.314 2.887 5.374 1.00 0.00 C +ATOM 47 OH TYR A 3 0.689 2.738 6.281 1.00 0.00 O +ATOM 48 H TYR A 3 -4.533 4.332 0.484 1.00 0.00 H +ATOM 49 HA TYR A 3 -2.376 2.623 1.045 1.00 0.00 H +ATOM 50 HB2 TYR A 3 -3.738 4.435 2.426 1.00 0.00 H +ATOM 51 HB3 TYR A 3 -4.533 3.034 3.097 1.00 0.00 H +ATOM 52 HD1 TYR A 3 -3.073 1.242 4.208 1.00 0.00 H +ATOM 53 HD2 TYR A 3 -1.561 5.130 3.117 1.00 0.00 H +ATOM 54 HE1 TYR A 3 -1.168 0.961 5.808 1.00 0.00 H +ATOM 55 HE2 TYR A 3 0.304 4.861 4.721 1.00 0.00 H +ATOM 56 HH TYR A 3 1.122 3.570 6.477 1.00 0.00 H +ATOM 57 N ILE A 4 -5.233 0.982 0.940 1.00 0.00 N +ATOM 58 CA ILE A 4 -5.848 -0.352 0.877 1.00 0.00 C +ATOM 59 C ILE A 4 -5.163 -1.178 -0.214 1.00 0.00 C +ATOM 60 O ILE A 4 -4.701 -2.283 0.059 1.00 0.00 O +ATOM 61 CB ILE A 4 -7.377 -0.269 0.636 1.00 0.00 C +ATOM 62 CG1 ILE A 4 -8.108 0.711 1.586 1.00 0.00 C +ATOM 63 CG2 ILE A 4 -8.024 -1.663 0.703 1.00 0.00 C +ATOM 64 CD1 ILE A 4 -8.003 0.381 3.081 1.00 0.00 C +ATOM 65 H ILE A 4 -5.759 1.748 0.533 1.00 0.00 H +ATOM 66 HA ILE A 4 -5.674 -0.861 1.826 1.00 0.00 H +ATOM 67 HB ILE A 4 -7.542 0.099 -0.378 1.00 0.00 H +ATOM 68 HG12 ILE A 4 -7.695 1.690 1.433 1.00 0.00 H +ATOM 69 HG13 ILE A 4 -9.164 0.739 1.316 1.00 0.00 H +ATOM 70 HG21 ILE A 4 -7.622 -2.307 -0.080 1.00 0.00 H +ATOM 71 HG22 ILE A 4 -7.834 -2.127 1.670 1.00 0.00 H +ATOM 72 HG23 ILE A 4 -9.101 -1.579 0.552 1.00 0.00 H +ATOM 73 HD11 ILE A 4 -8.525 -0.550 3.300 1.00 0.00 H +ATOM 74 HD12 ILE A 4 -6.959 0.295 3.382 1.00 0.00 H +ATOM 75 HD13 ILE A 4 -8.466 1.184 3.656 1.00 0.00 H +ATOM 76 N GLN A 5 -5.052 -0.619 -1.428 1.00 0.00 N +ATOM 77 CA GLN A 5 -4.299 -1.207 -2.540 1.00 0.00 C +ATOM 78 C GLN A 5 -2.854 -1.505 -2.123 1.00 0.00 C +ATOM 79 O GLN A 5 -2.421 -2.646 -2.248 1.00 0.00 O +ATOM 80 CB GLN A 5 -4.364 -0.280 -3.767 1.00 0.00 C +ATOM 81 CG GLN A 5 -5.703 -0.407 -4.512 1.00 0.00 C +ATOM 82 CD GLN A 5 -5.997 0.832 -5.354 1.00 0.00 C +ATOM 83 OE1 GLN A 5 -6.747 1.710 -4.957 1.00 0.00 O +ATOM 84 NE2 GLN A 5 -5.409 0.958 -6.528 1.00 0.00 N +ATOM 85 H GLN A 5 -5.422 0.315 -1.546 1.00 0.00 H +ATOM 86 HA GLN A 5 -4.752 -2.163 -2.806 1.00 0.00 H +ATOM 87 HB2 GLN A 5 -4.243 0.735 -3.441 1.00 0.00 H +ATOM 88 HB3 GLN A 5 -3.560 -0.532 -4.460 1.00 0.00 H +ATOM 89 HG2 GLN A 5 -5.663 -1.264 -5.156 1.00 0.00 H +ATOM 90 HG3 GLN A 5 -6.516 -0.529 -3.797 1.00 0.00 H +ATOM 91 HE21 GLN A 5 -4.765 0.277 -6.894 1.00 0.00 H +ATOM 92 HE22 GLN A 5 -5.664 1.794 -7.028 1.00 0.00 H +ATOM 93 N TRP A 6 -2.139 -0.521 -1.559 1.00 0.00 N +ATOM 94 CA TRP A 6 -0.764 -0.708 -1.080 1.00 0.00 C +ATOM 95 C TRP A 6 -0.621 -1.821 -0.023 1.00 0.00 C +ATOM 96 O TRP A 6 0.282 -2.655 -0.123 1.00 0.00 O +ATOM 97 CB TRP A 6 -0.226 0.624 -0.556 1.00 0.00 C +ATOM 98 CG TRP A 6 1.177 0.552 -0.041 1.00 0.00 C +ATOM 99 CD1 TRP A 6 2.291 0.506 -0.805 1.00 0.00 C +ATOM 100 CD2 TRP A 6 1.636 0.472 1.346 1.00 0.00 C +ATOM 101 NE1 TRP A 6 3.401 0.391 0.008 1.00 0.00 N +ATOM 102 CE2 TRP A 6 3.059 0.386 1.338 1.00 0.00 C +ATOM 103 CE3 TRP A 6 1.004 0.469 2.607 1.00 0.00 C +ATOM 104 CZ2 TRP A 6 3.822 0.325 2.511 1.00 0.00 C +ATOM 105 CZ3 TRP A 6 1.758 0.393 3.795 1.00 0.00 C +ATOM 106 CH2 TRP A 6 3.163 0.337 3.750 1.00 0.00 C +ATOM 107 H TRP A 6 -2.566 0.400 -1.493 1.00 0.00 H +ATOM 108 HA TRP A 6 -0.148 -1.012 -1.929 1.00 0.00 H +ATOM 109 HB2 TRP A 6 -0.256 1.338 -1.356 1.00 0.00 H +ATOM 110 HB3 TRP A 6 -0.872 0.979 0.246 1.00 0.00 H +ATOM 111 HD1 TRP A 6 2.305 0.538 -1.888 1.00 0.00 H +ATOM 112 HE1 TRP A 6 4.371 0.349 -0.315 1.00 0.00 H +ATOM 113 HE3 TRP A 6 -0.074 0.535 2.657 1.00 0.00 H +ATOM 114 HZ2 TRP A 6 4.900 0.268 2.446 1.00 0.00 H +ATOM 115 HZ3 TRP A 6 1.258 0.397 4.753 1.00 0.00 H +ATOM 116 HH2 TRP A 6 3.733 0.301 4.667 1.00 0.00 H +ATOM 117 N LEU A 7 -1.520 -1.885 0.971 1.00 0.00 N +ATOM 118 CA LEU A 7 -1.546 -3.008 1.915 1.00 0.00 C +ATOM 119 C LEU A 7 -1.821 -4.345 1.210 1.00 0.00 C +ATOM 120 O LEU A 7 -1.199 -5.346 1.565 1.00 0.00 O +ATOM 121 CB LEU A 7 -2.568 -2.758 3.038 1.00 0.00 C +ATOM 122 CG LEU A 7 -2.110 -1.733 4.094 1.00 0.00 C +ATOM 123 CD1 LEU A 7 -3.291 -1.398 5.011 1.00 0.00 C +ATOM 124 CD2 LEU A 7 -0.966 -2.250 4.977 1.00 0.00 C +ATOM 125 H LEU A 7 -2.224 -1.155 1.053 1.00 0.00 H +ATOM 126 HA LEU A 7 -0.553 -3.100 2.352 1.00 0.00 H +ATOM 127 HB2 LEU A 7 -3.476 -2.399 2.593 1.00 0.00 H +ATOM 128 HB3 LEU A 7 -2.769 -3.700 3.549 1.00 0.00 H +ATOM 129 HG LEU A 7 -1.780 -0.823 3.598 1.00 0.00 H +ATOM 130 HD11 LEU A 7 -4.097 -0.955 4.426 1.00 0.00 H +ATOM 131 HD12 LEU A 7 -3.659 -2.303 5.495 1.00 0.00 H +ATOM 132 HD13 LEU A 7 -2.979 -0.690 5.779 1.00 0.00 H +ATOM 133 HD21 LEU A 7 -1.320 -3.059 5.617 1.00 0.00 H +ATOM 134 HD22 LEU A 7 -0.139 -2.614 4.372 1.00 0.00 H +ATOM 135 HD23 LEU A 7 -0.594 -1.440 5.602 1.00 0.00 H +ATOM 136 N LYS A 8 -2.683 -4.366 0.182 1.00 0.00 N +ATOM 137 CA LYS A 8 -3.015 -5.563 -0.608 1.00 0.00 C +ATOM 138 C LYS A 8 -1.848 -6.159 -1.409 1.00 0.00 C +ATOM 139 O LYS A 8 -1.978 -7.286 -1.891 1.00 0.00 O +ATOM 140 CB LYS A 8 -4.151 -5.246 -1.594 1.00 0.00 C +ATOM 141 CG LYS A 8 -5.168 -6.394 -1.663 1.00 0.00 C +ATOM 142 CD LYS A 8 -5.900 -6.429 -3.012 1.00 0.00 C +ATOM 143 CE LYS A 8 -5.280 -7.448 -3.983 1.00 0.00 C +ATOM 144 NZ LYS A 8 -3.846 -7.183 -4.280 1.00 0.00 N +ATOM 145 H LYS A 8 -3.170 -3.498 -0.036 1.00 0.00 H +ATOM 146 HA LYS A 8 -3.348 -6.330 0.093 1.00 0.00 H +ATOM 147 HB2 LYS A 8 -4.653 -4.353 -1.273 1.00 0.00 H +ATOM 148 HB3 LYS A 8 -3.719 -5.054 -2.577 1.00 0.00 H +ATOM 149 HG2 LYS A 8 -4.651 -7.324 -1.524 1.00 0.00 H +ATOM 150 HG3 LYS A 8 -5.894 -6.248 -0.863 1.00 0.00 H +ATOM 151 HD2 LYS A 8 -6.926 -6.694 -2.842 1.00 0.00 H +ATOM 152 HD3 LYS A 8 -5.919 -5.435 -3.463 1.00 0.00 H +ATOM 153 HE2 LYS A 8 -5.363 -8.426 -3.549 1.00 0.00 H +ATOM 154 HE3 LYS A 8 -5.865 -7.435 -4.907 1.00 0.00 H +ATOM 155 HZ1 LYS A 8 -3.724 -6.252 -4.654 1.00 0.00 H +ATOM 156 HZ2 LYS A 8 -3.274 -7.269 -3.437 1.00 0.00 H +ATOM 157 HZ3 LYS A 8 -3.500 -7.847 -4.959 1.00 0.00 H +ATOM 158 N ASP A 9 -0.761 -5.409 -1.606 1.00 0.00 N +ATOM 159 CA ASP A 9 0.518 -5.887 -2.146 1.00 0.00 C +ATOM 160 C ASP A 9 1.477 -6.413 -1.062 1.00 0.00 C +ATOM 161 O ASP A 9 2.507 -6.993 -1.402 1.00 0.00 O +ATOM 162 CB ASP A 9 1.203 -4.746 -2.916 1.00 0.00 C +ATOM 163 CG ASP A 9 0.565 -4.528 -4.288 1.00 0.00 C +ATOM 164 OD1 ASP A 9 0.935 -5.288 -5.208 1.00 0.00 O +ATOM 165 OD2 ASP A 9 -0.287 -3.621 -4.405 1.00 0.00 O +ATOM 166 H ASP A 9 -0.838 -4.424 -1.369 1.00 0.00 H +ATOM 167 HA ASP A 9 0.340 -6.709 -2.843 1.00 0.00 H +ATOM 168 HB2 ASP A 9 1.118 -3.841 -2.345 1.00 0.00 H +ATOM 169 HB3 ASP A 9 2.251 -4.998 -3.073 1.00 0.00 H +ATOM 170 N GLY A 10 1.166 -6.210 0.226 1.00 0.00 N +ATOM 171 CA GLY A 10 1.990 -6.622 1.367 1.00 0.00 C +ATOM 172 C GLY A 10 2.542 -5.464 2.208 1.00 0.00 C +ATOM 173 O GLY A 10 3.334 -5.711 3.115 1.00 0.00 O +ATOM 174 H GLY A 10 0.272 -5.773 0.437 1.00 0.00 H +ATOM 175 HA2 GLY A 10 1.386 -7.249 2.021 1.00 0.00 H +ATOM 176 HA3 GLY A 10 2.837 -7.217 1.024 1.00 0.00 H +ATOM 177 N GLY A 11 2.159 -4.210 1.925 1.00 0.00 N +ATOM 178 CA GLY A 11 2.661 -3.046 2.655 1.00 0.00 C +ATOM 179 C GLY A 11 4.200 -2.979 2.631 1.00 0.00 C +ATOM 180 O GLY A 11 4.782 -3.116 1.550 1.00 0.00 O +ATOM 181 H GLY A 11 1.535 -4.045 1.144 1.00 0.00 H +ATOM 182 HA2 GLY A 11 2.267 -2.143 2.192 1.00 0.00 H +ATOM 183 HA3 GLY A 11 2.290 -3.099 3.676 1.00 0.00 H +ATOM 184 N PRO A 12 4.884 -2.799 3.785 1.00 0.00 N +ATOM 185 CA PRO A 12 6.347 -2.733 3.841 1.00 0.00 C +ATOM 186 C PRO A 12 7.047 -3.937 3.195 1.00 0.00 C +ATOM 187 O PRO A 12 8.110 -3.775 2.595 1.00 0.00 O +ATOM 188 CB PRO A 12 6.717 -2.624 5.327 1.00 0.00 C +ATOM 189 CG PRO A 12 5.445 -2.101 5.991 1.00 0.00 C +ATOM 190 CD PRO A 12 4.334 -2.698 5.130 1.00 0.00 C +ATOM 191 HA PRO A 12 6.671 -1.826 3.329 1.00 0.00 H +ATOM 192 HB2 PRO A 12 6.987 -3.584 5.724 1.00 0.00 H +ATOM 193 HB3 PRO A 12 7.555 -1.942 5.483 1.00 0.00 H +ATOM 194 HG2 PRO A 12 5.372 -2.442 7.006 1.00 0.00 H +ATOM 195 HG3 PRO A 12 5.418 -1.013 5.926 1.00 0.00 H +ATOM 196 HD2 PRO A 12 4.059 -3.669 5.495 1.00 0.00 H +ATOM 197 HD3 PRO A 12 3.452 -2.058 5.170 1.00 0.00 H +ATOM 198 N SER A 13 6.446 -5.136 3.263 1.00 0.00 N +ATOM 199 CA SER A 13 7.011 -6.363 2.690 1.00 0.00 C +ATOM 200 C SER A 13 7.149 -6.316 1.165 1.00 0.00 C +ATOM 201 O SER A 13 7.983 -7.035 0.623 1.00 0.00 O +ATOM 202 CB SER A 13 6.153 -7.573 3.073 1.00 0.00 C +ATOM 203 OG SER A 13 6.053 -7.692 4.480 1.00 0.00 O +ATOM 204 H SER A 13 5.546 -5.219 3.725 1.00 0.00 H +ATOM 205 HA SER A 13 8.010 -6.507 3.102 1.00 0.00 H +ATOM 206 HB2 SER A 13 5.170 -7.453 2.659 1.00 0.00 H +ATOM 207 HB3 SER A 13 6.605 -8.481 2.668 1.00 0.00 H +ATOM 208 HG SER A 13 6.911 -7.936 4.835 1.00 0.00 H +ATOM 209 N SER A 14 6.381 -5.460 0.473 1.00 0.00 N +ATOM 210 CA SER A 14 6.506 -5.250 -0.977 1.00 0.00 C +ATOM 211 C SER A 14 7.628 -4.264 -1.351 1.00 0.00 C +ATOM 212 O SER A 14 7.865 -4.012 -2.530 1.00 0.00 O +ATOM 213 CB SER A 14 5.167 -4.770 -1.558 1.00 0.00 C +ATOM 214 OG SER A 14 4.894 -5.465 -2.757 1.00 0.00 O +ATOM 215 H SER A 14 5.734 -4.866 0.986 1.00 0.00 H +ATOM 216 HA SER A 14 6.748 -6.210 -1.440 1.00 0.00 H +ATOM 217 HB2 SER A 14 4.383 -4.958 -0.850 1.00 0.00 H +ATOM 218 HB3 SER A 14 5.209 -3.700 -1.766 1.00 0.00 H +ATOM 219 HG SER A 14 3.943 -5.622 -2.814 1.00 0.00 H +ATOM 220 N GLY A 15 8.305 -3.650 -0.369 1.00 0.00 N +ATOM 221 CA GLY A 15 9.425 -2.723 -0.566 1.00 0.00 C +ATOM 222 C GLY A 15 9.041 -1.328 -1.080 1.00 0.00 C +ATOM 223 O GLY A 15 9.718 -0.356 -0.750 1.00 0.00 O +ATOM 224 H GLY A 15 8.061 -3.868 0.595 1.00 0.00 H +ATOM 225 HA2 GLY A 15 9.946 -2.602 0.385 1.00 0.00 H +ATOM 226 HA3 GLY A 15 10.124 -3.163 -1.277 1.00 0.00 H +ATOM 227 N ARG A 16 7.963 -1.202 -1.869 1.00 0.00 N +ATOM 228 CA ARG A 16 7.437 0.089 -2.339 1.00 0.00 C +ATOM 229 C ARG A 16 6.901 0.917 -1.155 1.00 0.00 C +ATOM 230 O ARG A 16 6.143 0.369 -0.352 1.00 0.00 O +ATOM 231 CB ARG A 16 6.345 -0.153 -3.399 1.00 0.00 C +ATOM 232 CG ARG A 16 6.052 1.130 -4.193 1.00 0.00 C +ATOM 233 CD ARG A 16 5.045 0.908 -5.333 1.00 0.00 C +ATOM 234 NE ARG A 16 5.431 1.681 -6.532 1.00 0.00 N +ATOM 235 CZ ARG A 16 5.978 1.218 -7.653 1.00 0.00 C +ATOM 236 NH1 ARG A 16 6.157 -0.064 -7.871 1.00 0.00 N +ATOM 237 NH2 ARG A 16 6.370 2.053 -8.588 1.00 0.00 N +ATOM 238 H ARG A 16 7.514 -2.068 -2.147 1.00 0.00 H +ATOM 239 HA ARG A 16 8.272 0.615 -2.801 1.00 0.00 H +ATOM 240 HB2 ARG A 16 6.677 -0.916 -4.076 1.00 0.00 H +ATOM 241 HB3 ARG A 16 5.432 -0.513 -2.923 1.00 0.00 H +ATOM 242 HG2 ARG A 16 5.653 1.865 -3.521 1.00 0.00 H +ATOM 243 HG3 ARG A 16 6.992 1.485 -4.616 1.00 0.00 H +ATOM 244 HD2 ARG A 16 5.018 -0.136 -5.581 1.00 0.00 H +ATOM 245 HD3 ARG A 16 4.058 1.230 -4.997 1.00 0.00 H +ATOM 246 HE ARG A 16 5.320 2.679 -6.467 1.00 0.00 H +ATOM 247 HH11 ARG A 16 5.847 -0.713 -7.171 1.00 0.00 H +ATOM 248 HH12 ARG A 16 6.562 -0.400 -8.725 1.00 0.00 H +ATOM 249 HH21 ARG A 16 6.273 3.046 -8.463 1.00 0.00 H +ATOM 250 HH22 ARG A 16 6.787 1.699 -9.428 1.00 0.00 H +ATOM 251 N PRO A 17 7.223 2.224 -1.040 1.00 0.00 N +ATOM 252 CA PRO A 17 6.725 3.069 0.048 1.00 0.00 C +ATOM 253 C PRO A 17 5.198 3.267 -0.012 1.00 0.00 C +ATOM 254 O PRO A 17 4.600 3.082 -1.075 1.00 0.00 O +ATOM 255 CB PRO A 17 7.472 4.402 -0.100 1.00 0.00 C +ATOM 256 CG PRO A 17 7.803 4.461 -1.589 1.00 0.00 C +ATOM 257 CD PRO A 17 8.084 2.999 -1.923 1.00 0.00 C +ATOM 258 HA PRO A 17 6.988 2.611 1.003 1.00 0.00 H +ATOM 259 HB2 PRO A 17 6.847 5.226 0.187 1.00 0.00 H +ATOM 260 HB3 PRO A 17 8.397 4.366 0.477 1.00 0.00 H +ATOM 261 HG2 PRO A 17 6.973 4.836 -2.156 1.00 0.00 H +ATOM 262 HG3 PRO A 17 8.662 5.098 -1.791 1.00 0.00 H +ATOM 263 HD2 PRO A 17 7.847 2.797 -2.950 1.00 0.00 H +ATOM 264 HD3 PRO A 17 9.128 2.763 -1.708 1.00 0.00 H +ATOM 265 N PRO A 18 4.558 3.663 1.109 1.00 0.00 N +ATOM 266 CA PRO A 18 3.118 3.895 1.157 1.00 0.00 C +ATOM 267 C PRO A 18 2.704 5.139 0.350 1.00 0.00 C +ATOM 268 O PRO A 18 3.494 6.075 0.206 1.00 0.00 O +ATOM 269 CB PRO A 18 2.775 4.055 2.641 1.00 0.00 C +ATOM 270 CG PRO A 18 4.071 4.582 3.251 1.00 0.00 C +ATOM 271 CD PRO A 18 5.151 3.896 2.419 1.00 0.00 C +ATOM 272 HA PRO A 18 2.608 3.020 0.760 1.00 0.00 H +ATOM 273 HB2 PRO A 18 1.974 4.756 2.776 1.00 0.00 H +ATOM 274 HB3 PRO A 18 2.543 3.080 3.070 1.00 0.00 H +ATOM 275 HG2 PRO A 18 4.134 5.649 3.159 1.00 0.00 H +ATOM 276 HG3 PRO A 18 4.154 4.332 4.308 1.00 0.00 H +ATOM 277 HD2 PRO A 18 6.013 4.529 2.331 1.00 0.00 H +ATOM 278 HD3 PRO A 18 5.412 2.939 2.872 1.00 0.00 H +ATOM 279 N PRO A 19 1.454 5.184 -0.142 1.00 0.00 N +ATOM 280 CA PRO A 19 0.910 6.335 -0.849 1.00 0.00 C +ATOM 281 C PRO A 19 0.561 7.461 0.136 1.00 0.00 C +ATOM 282 O PRO A 19 -0.109 7.228 1.144 1.00 0.00 O +ATOM 283 CB PRO A 19 -0.325 5.804 -1.578 1.00 0.00 C +ATOM 284 CG PRO A 19 -0.816 4.675 -0.671 1.00 0.00 C +ATOM 285 CD PRO A 19 0.464 4.121 -0.057 1.00 0.00 C +ATOM 286 HA PRO A 19 1.631 6.703 -1.581 1.00 0.00 H +ATOM 287 HB2 PRO A 19 -1.071 6.569 -1.676 1.00 0.00 H +ATOM 288 HB3 PRO A 19 -0.024 5.388 -2.541 1.00 0.00 H +ATOM 289 HG2 PRO A 19 -1.472 5.053 0.089 1.00 0.00 H +ATOM 290 HG3 PRO A 19 -1.335 3.905 -1.236 1.00 0.00 H +ATOM 291 HD2 PRO A 19 0.297 3.850 0.968 1.00 0.00 H +ATOM 292 HD3 PRO A 19 0.811 3.272 -0.645 1.00 0.00 H +ATOM 293 N SER A 20 1.026 8.673 -0.178 1.00 0.00 N +ATOM 294 CA SER A 20 0.698 9.933 0.494 1.00 0.00 C +ATOM 295 C SER A 20 -0.638 10.528 0.034 1.00 0.00 C +ATOM 296 O SER A 20 -1.052 10.270 -1.120 1.00 0.00 O +ATOM 297 CB SER A 20 1.845 10.928 0.290 1.00 0.00 C +ATOM 298 OG SER A 20 2.324 10.900 -1.046 1.00 0.00 O +ATOM 299 OXT SER A 20 -1.231 11.239 0.875 1.00 0.00 O +ATOM 300 H SER A 20 1.554 8.807 -1.028 1.00 0.00 H +ATOM 301 HA SER A 20 0.586 9.752 1.561 1.00 0.00 H +ATOM 302 HB2 SER A 20 1.493 11.917 0.514 1.00 0.00 H +ATOM 303 HB3 SER A 20 2.664 10.654 0.959 1.00 0.00 H +ATOM 304 HG SER A 20 2.939 11.625 -1.177 1.00 0.00 H +TER 305 SER A 20 +ENDMDL +MODEL 37 +ATOM 1 N ASN A 1 -5.798 7.479 0.401 1.00 0.00 N +ATOM 2 CA ASN A 1 -6.588 7.022 -0.767 1.00 0.00 C +ATOM 3 C ASN A 1 -6.199 5.613 -1.207 1.00 0.00 C +ATOM 4 O ASN A 1 -7.021 4.713 -1.096 1.00 0.00 O +ATOM 5 CB ASN A 1 -6.557 8.030 -1.932 1.00 0.00 C +ATOM 6 CG ASN A 1 -7.956 8.586 -2.147 1.00 0.00 C +ATOM 7 OD1 ASN A 1 -8.343 9.541 -1.498 1.00 0.00 O +ATOM 8 ND2 ASN A 1 -8.767 7.973 -2.991 1.00 0.00 N +ATOM 9 H1 ASN A 1 -5.816 6.777 1.127 1.00 0.00 H +ATOM 10 H2 ASN A 1 -4.838 7.655 0.131 1.00 0.00 H +ATOM 11 H3 ASN A 1 -6.193 8.335 0.767 1.00 0.00 H +ATOM 12 HA ASN A 1 -7.627 6.938 -0.443 1.00 0.00 H +ATOM 13 HB2 ASN A 1 -5.884 8.832 -1.696 1.00 0.00 H +ATOM 14 HB3 ASN A 1 -6.214 7.562 -2.856 1.00 0.00 H +ATOM 15 HD21 ASN A 1 -8.509 7.171 -3.541 1.00 0.00 H +ATOM 16 HD22 ASN A 1 -9.676 8.400 -3.071 1.00 0.00 H +ATOM 17 N LEU A 2 -4.963 5.401 -1.676 1.00 0.00 N +ATOM 18 CA LEU A 2 -4.527 4.127 -2.262 1.00 0.00 C +ATOM 19 C LEU A 2 -4.002 3.108 -1.223 1.00 0.00 C +ATOM 20 O LEU A 2 -3.490 2.051 -1.588 1.00 0.00 O +ATOM 21 CB LEU A 2 -3.515 4.448 -3.386 1.00 0.00 C +ATOM 22 CG LEU A 2 -3.518 3.386 -4.508 1.00 0.00 C +ATOM 23 CD1 LEU A 2 -3.924 3.985 -5.857 1.00 0.00 C +ATOM 24 CD2 LEU A 2 -2.165 2.687 -4.652 1.00 0.00 C +ATOM 25 H LEU A 2 -4.310 6.167 -1.771 1.00 0.00 H +ATOM 26 HA LEU A 2 -5.403 3.668 -2.726 1.00 0.00 H +ATOM 27 HB2 LEU A 2 -3.766 5.400 -3.813 1.00 0.00 H +ATOM 28 HB3 LEU A 2 -2.516 4.554 -2.964 1.00 0.00 H +ATOM 29 HG LEU A 2 -4.262 2.639 -4.267 1.00 0.00 H +ATOM 30 HD11 LEU A 2 -4.932 4.396 -5.784 1.00 0.00 H +ATOM 31 HD12 LEU A 2 -3.228 4.767 -6.155 1.00 0.00 H +ATOM 32 HD13 LEU A 2 -3.936 3.199 -6.614 1.00 0.00 H +ATOM 33 HD21 LEU A 2 -1.412 3.394 -5.001 1.00 0.00 H +ATOM 34 HD22 LEU A 2 -1.857 2.272 -3.692 1.00 0.00 H +ATOM 35 HD23 LEU A 2 -2.253 1.872 -5.370 1.00 0.00 H +ATOM 36 N TYR A 3 -4.143 3.405 0.077 1.00 0.00 N +ATOM 37 CA TYR A 3 -3.594 2.622 1.192 1.00 0.00 C +ATOM 38 C TYR A 3 -4.041 1.158 1.165 1.00 0.00 C +ATOM 39 O TYR A 3 -3.239 0.261 1.408 1.00 0.00 O +ATOM 40 CB TYR A 3 -3.976 3.276 2.532 1.00 0.00 C +ATOM 41 CG TYR A 3 -2.857 3.224 3.553 1.00 0.00 C +ATOM 42 CD1 TYR A 3 -2.508 2.017 4.182 1.00 0.00 C +ATOM 43 CD2 TYR A 3 -2.132 4.392 3.837 1.00 0.00 C +ATOM 44 CE1 TYR A 3 -1.412 1.972 5.068 1.00 0.00 C +ATOM 45 CE2 TYR A 3 -1.039 4.360 4.722 1.00 0.00 C +ATOM 46 CZ TYR A 3 -0.662 3.140 5.323 1.00 0.00 C +ATOM 47 OH TYR A 3 0.439 3.086 6.118 1.00 0.00 O +ATOM 48 H TYR A 3 -4.628 4.258 0.296 1.00 0.00 H +ATOM 49 HA TYR A 3 -2.507 2.635 1.105 1.00 0.00 H +ATOM 50 HB2 TYR A 3 -4.228 4.303 2.352 1.00 0.00 H +ATOM 51 HB3 TYR A 3 -4.863 2.793 2.949 1.00 0.00 H +ATOM 52 HD1 TYR A 3 -3.069 1.122 3.968 1.00 0.00 H +ATOM 53 HD2 TYR A 3 -2.417 5.309 3.354 1.00 0.00 H +ATOM 54 HE1 TYR A 3 -1.123 1.050 5.550 1.00 0.00 H +ATOM 55 HE2 TYR A 3 -0.485 5.260 4.942 1.00 0.00 H +ATOM 56 HH TYR A 3 0.954 3.895 6.046 1.00 0.00 H +ATOM 57 N ILE A 4 -5.313 0.913 0.819 1.00 0.00 N +ATOM 58 CA ILE A 4 -5.875 -0.433 0.687 1.00 0.00 C +ATOM 59 C ILE A 4 -5.150 -1.213 -0.419 1.00 0.00 C +ATOM 60 O ILE A 4 -4.782 -2.367 -0.218 1.00 0.00 O +ATOM 61 CB ILE A 4 -7.404 -0.376 0.441 1.00 0.00 C +ATOM 62 CG1 ILE A 4 -8.133 0.538 1.461 1.00 0.00 C +ATOM 63 CG2 ILE A 4 -7.996 -1.794 0.489 1.00 0.00 C +ATOM 64 CD1 ILE A 4 -8.579 1.867 0.834 1.00 0.00 C +ATOM 65 H ILE A 4 -5.909 1.712 0.664 1.00 0.00 H +ATOM 66 HA ILE A 4 -5.703 -0.963 1.625 1.00 0.00 H +ATOM 67 HB ILE A 4 -7.582 0.014 -0.564 1.00 0.00 H +ATOM 68 HG12 ILE A 4 -8.999 0.022 1.830 1.00 0.00 H +ATOM 69 HG13 ILE A 4 -7.484 0.744 2.314 1.00 0.00 H +ATOM 70 HG21 ILE A 4 -7.610 -2.395 -0.333 1.00 0.00 H +ATOM 71 HG22 ILE A 4 -7.734 -2.278 1.431 1.00 0.00 H +ATOM 72 HG23 ILE A 4 -9.082 -1.752 0.406 1.00 0.00 H +ATOM 73 HD11 ILE A 4 -7.781 2.293 0.225 1.00 0.00 H +ATOM 74 HD12 ILE A 4 -9.456 1.698 0.209 1.00 0.00 H +ATOM 75 HD13 ILE A 4 -8.839 2.575 1.623 1.00 0.00 H +ATOM 76 N GLN A 5 -4.916 -0.587 -1.582 1.00 0.00 N +ATOM 77 CA GLN A 5 -4.177 -1.207 -2.684 1.00 0.00 C +ATOM 78 C GLN A 5 -2.695 -1.416 -2.351 1.00 0.00 C +ATOM 79 O GLN A 5 -2.131 -2.431 -2.746 1.00 0.00 O +ATOM 80 CB GLN A 5 -4.323 -0.379 -3.966 1.00 0.00 C +ATOM 81 CG GLN A 5 -5.742 -0.393 -4.567 1.00 0.00 C +ATOM 82 CD GLN A 5 -6.425 0.974 -4.548 1.00 0.00 C +ATOM 83 OE1 GLN A 5 -6.408 1.714 -5.514 1.00 0.00 O +ATOM 84 NE2 GLN A 5 -7.071 1.361 -3.464 1.00 0.00 N +ATOM 85 H GLN A 5 -5.081 0.408 -1.625 1.00 0.00 H +ATOM 86 HA GLN A 5 -4.585 -2.193 -2.872 1.00 0.00 H +ATOM 87 HB2 GLN A 5 -4.062 0.637 -3.742 1.00 0.00 H +ATOM 88 HB3 GLN A 5 -3.636 -0.777 -4.715 1.00 0.00 H +ATOM 89 HG2 GLN A 5 -5.677 -0.726 -5.585 1.00 0.00 H +ATOM 90 HG3 GLN A 5 -6.369 -1.116 -4.046 1.00 0.00 H +ATOM 91 HE21 GLN A 5 -7.192 0.797 -2.646 1.00 0.00 H +ATOM 92 HE22 GLN A 5 -7.525 2.252 -3.586 1.00 0.00 H +ATOM 93 N TRP A 6 -2.077 -0.504 -1.595 1.00 0.00 N +ATOM 94 CA TRP A 6 -0.720 -0.701 -1.084 1.00 0.00 C +ATOM 95 C TRP A 6 -0.636 -1.874 -0.089 1.00 0.00 C +ATOM 96 O TRP A 6 0.249 -2.721 -0.206 1.00 0.00 O +ATOM 97 CB TRP A 6 -0.212 0.612 -0.482 1.00 0.00 C +ATOM 98 CG TRP A 6 1.182 0.533 0.054 1.00 0.00 C +ATOM 99 CD1 TRP A 6 2.314 0.521 -0.685 1.00 0.00 C +ATOM 100 CD2 TRP A 6 1.608 0.404 1.443 1.00 0.00 C +ATOM 101 NE1 TRP A 6 3.408 0.380 0.147 1.00 0.00 N +ATOM 102 CE2 TRP A 6 3.031 0.317 1.470 1.00 0.00 C +ATOM 103 CE3 TRP A 6 0.937 0.364 2.685 1.00 0.00 C +ATOM 104 CZ2 TRP A 6 3.755 0.214 2.665 1.00 0.00 C +ATOM 105 CZ3 TRP A 6 1.654 0.247 3.892 1.00 0.00 C +ATOM 106 CH2 TRP A 6 3.057 0.179 3.883 1.00 0.00 C +ATOM 107 H TRP A 6 -2.581 0.349 -1.361 1.00 0.00 H +ATOM 108 HA TRP A 6 -0.070 -0.958 -1.922 1.00 0.00 H +ATOM 109 HB2 TRP A 6 -0.239 1.366 -1.245 1.00 0.00 H +ATOM 110 HB3 TRP A 6 -0.876 0.919 0.324 1.00 0.00 H +ATOM 111 HD1 TRP A 6 2.354 0.591 -1.764 1.00 0.00 H +ATOM 112 HE1 TRP A 6 4.380 0.346 -0.171 1.00 0.00 H +ATOM 113 HE3 TRP A 6 -0.140 0.441 2.699 1.00 0.00 H +ATOM 114 HZ2 TRP A 6 4.832 0.162 2.632 1.00 0.00 H +ATOM 115 HZ3 TRP A 6 1.123 0.229 4.833 1.00 0.00 H +ATOM 116 HH2 TRP A 6 3.599 0.110 4.815 1.00 0.00 H +ATOM 117 N LEU A 7 -1.578 -1.972 0.862 1.00 0.00 N +ATOM 118 CA LEU A 7 -1.635 -3.091 1.807 1.00 0.00 C +ATOM 119 C LEU A 7 -1.938 -4.442 1.140 1.00 0.00 C +ATOM 120 O LEU A 7 -1.409 -5.445 1.613 1.00 0.00 O +ATOM 121 CB LEU A 7 -2.649 -2.806 2.929 1.00 0.00 C +ATOM 122 CG LEU A 7 -2.162 -1.784 3.974 1.00 0.00 C +ATOM 123 CD1 LEU A 7 -3.325 -1.421 4.903 1.00 0.00 C +ATOM 124 CD2 LEU A 7 -1.020 -2.318 4.848 1.00 0.00 C +ATOM 125 H LEU A 7 -2.263 -1.224 0.945 1.00 0.00 H +ATOM 126 HA LEU A 7 -0.647 -3.201 2.250 1.00 0.00 H +ATOM 127 HB2 LEU A 7 -3.548 -2.428 2.482 1.00 0.00 H +ATOM 128 HB3 LEU A 7 -2.870 -3.739 3.450 1.00 0.00 H +ATOM 129 HG LEU A 7 -1.826 -0.882 3.469 1.00 0.00 H +ATOM 130 HD11 LEU A 7 -4.144 -0.999 4.320 1.00 0.00 H +ATOM 131 HD12 LEU A 7 -3.677 -2.310 5.426 1.00 0.00 H +ATOM 132 HD13 LEU A 7 -2.996 -0.686 5.638 1.00 0.00 H +ATOM 133 HD21 LEU A 7 -1.350 -3.197 5.402 1.00 0.00 H +ATOM 134 HD22 LEU A 7 -0.162 -2.584 4.235 1.00 0.00 H +ATOM 135 HD23 LEU A 7 -0.705 -1.549 5.553 1.00 0.00 H +ATOM 136 N LYS A 8 -2.727 -4.482 0.050 1.00 0.00 N +ATOM 137 CA LYS A 8 -3.029 -5.712 -0.710 1.00 0.00 C +ATOM 138 C LYS A 8 -1.781 -6.486 -1.146 1.00 0.00 C +ATOM 139 O LYS A 8 -1.824 -7.713 -1.157 1.00 0.00 O +ATOM 140 CB LYS A 8 -3.877 -5.403 -1.959 1.00 0.00 C +ATOM 141 CG LYS A 8 -5.382 -5.303 -1.680 1.00 0.00 C +ATOM 142 CD LYS A 8 -6.121 -4.820 -2.936 1.00 0.00 C +ATOM 143 CE LYS A 8 -7.604 -4.569 -2.640 1.00 0.00 C +ATOM 144 NZ LYS A 8 -8.094 -3.337 -3.303 1.00 0.00 N +ATOM 145 H LYS A 8 -3.183 -3.613 -0.220 1.00 0.00 H +ATOM 146 HA LYS A 8 -3.587 -6.394 -0.066 1.00 0.00 H +ATOM 147 HB2 LYS A 8 -3.547 -4.468 -2.369 1.00 0.00 H +ATOM 148 HB3 LYS A 8 -3.735 -6.199 -2.691 1.00 0.00 H +ATOM 149 HG2 LYS A 8 -5.755 -6.268 -1.398 1.00 0.00 H +ATOM 150 HG3 LYS A 8 -5.561 -4.609 -0.862 1.00 0.00 H +ATOM 151 HD2 LYS A 8 -5.672 -3.907 -3.278 1.00 0.00 H +ATOM 152 HD3 LYS A 8 -6.030 -5.569 -3.726 1.00 0.00 H +ATOM 153 HE2 LYS A 8 -8.176 -5.405 -2.994 1.00 0.00 H +ATOM 154 HE3 LYS A 8 -7.739 -4.483 -1.558 1.00 0.00 H +ATOM 155 HZ1 LYS A 8 -7.671 -2.528 -2.870 1.00 0.00 H +ATOM 156 HZ2 LYS A 8 -7.852 -3.348 -4.286 1.00 0.00 H +ATOM 157 HZ3 LYS A 8 -9.100 -3.265 -3.217 1.00 0.00 H +ATOM 158 N ASP A 9 -0.706 -5.789 -1.524 1.00 0.00 N +ATOM 159 CA ASP A 9 0.553 -6.406 -1.949 1.00 0.00 C +ATOM 160 C ASP A 9 1.294 -7.047 -0.758 1.00 0.00 C +ATOM 161 O ASP A 9 1.606 -8.237 -0.786 1.00 0.00 O +ATOM 162 CB ASP A 9 1.394 -5.344 -2.675 1.00 0.00 C +ATOM 163 CG ASP A 9 2.486 -5.969 -3.549 1.00 0.00 C +ATOM 164 OD1 ASP A 9 3.523 -6.378 -2.986 1.00 0.00 O +ATOM 165 OD2 ASP A 9 2.263 -6.015 -4.778 1.00 0.00 O +ATOM 166 H ASP A 9 -0.768 -4.780 -1.507 1.00 0.00 H +ATOM 167 HA ASP A 9 0.326 -7.201 -2.662 1.00 0.00 H +ATOM 168 HB2 ASP A 9 0.747 -4.757 -3.298 1.00 0.00 H +ATOM 169 HB3 ASP A 9 1.836 -4.661 -1.952 1.00 0.00 H +ATOM 170 N GLY A 10 1.509 -6.275 0.317 1.00 0.00 N +ATOM 171 CA GLY A 10 2.156 -6.749 1.545 1.00 0.00 C +ATOM 172 C GLY A 10 2.683 -5.650 2.474 1.00 0.00 C +ATOM 173 O GLY A 10 3.675 -5.864 3.179 1.00 0.00 O +ATOM 174 H GLY A 10 1.256 -5.305 0.206 1.00 0.00 H +ATOM 175 HA2 GLY A 10 1.435 -7.344 2.107 1.00 0.00 H +ATOM 176 HA3 GLY A 10 2.991 -7.399 1.279 1.00 0.00 H +ATOM 177 N GLY A 11 2.059 -4.463 2.477 1.00 0.00 N +ATOM 178 CA GLY A 11 2.499 -3.312 3.269 1.00 0.00 C +ATOM 179 C GLY A 11 3.991 -2.994 3.056 1.00 0.00 C +ATOM 180 O GLY A 11 4.434 -2.979 1.903 1.00 0.00 O +ATOM 181 H GLY A 11 1.253 -4.352 1.879 1.00 0.00 H +ATOM 182 HA2 GLY A 11 1.923 -2.437 2.974 1.00 0.00 H +ATOM 183 HA3 GLY A 11 2.296 -3.527 4.316 1.00 0.00 H +ATOM 184 N PRO A 12 4.793 -2.762 4.118 1.00 0.00 N +ATOM 185 CA PRO A 12 6.229 -2.487 3.995 1.00 0.00 C +ATOM 186 C PRO A 12 7.028 -3.585 3.274 1.00 0.00 C +ATOM 187 O PRO A 12 8.076 -3.294 2.700 1.00 0.00 O +ATOM 188 CB PRO A 12 6.752 -2.306 5.426 1.00 0.00 C +ATOM 189 CG PRO A 12 5.507 -2.017 6.260 1.00 0.00 C +ATOM 190 CD PRO A 12 4.401 -2.765 5.520 1.00 0.00 C +ATOM 191 HA PRO A 12 6.358 -1.552 3.450 1.00 0.00 H +ATOM 192 HB2 PRO A 12 7.237 -3.200 5.768 1.00 0.00 H +ATOM 193 HB3 PRO A 12 7.469 -1.487 5.487 1.00 0.00 H +ATOM 194 HG2 PRO A 12 5.620 -2.390 7.260 1.00 0.00 H +ATOM 195 HG3 PRO A 12 5.297 -0.947 6.247 1.00 0.00 H +ATOM 196 HD2 PRO A 12 4.322 -3.771 5.884 1.00 0.00 H +ATOM 197 HD3 PRO A 12 3.446 -2.266 5.679 1.00 0.00 H +ATOM 198 N SER A 13 6.542 -4.835 3.272 1.00 0.00 N +ATOM 199 CA SER A 13 7.225 -5.960 2.613 1.00 0.00 C +ATOM 200 C SER A 13 7.090 -5.923 1.084 1.00 0.00 C +ATOM 201 O SER A 13 7.812 -6.639 0.397 1.00 0.00 O +ATOM 202 CB SER A 13 6.715 -7.304 3.143 1.00 0.00 C +ATOM 203 OG SER A 13 6.868 -7.384 4.548 1.00 0.00 O +ATOM 204 H SER A 13 5.615 -5.000 3.652 1.00 0.00 H +ATOM 205 HA SER A 13 8.289 -5.899 2.846 1.00 0.00 H +ATOM 206 HB2 SER A 13 5.676 -7.407 2.896 1.00 0.00 H +ATOM 207 HB3 SER A 13 7.295 -8.107 2.686 1.00 0.00 H +ATOM 208 HG SER A 13 6.175 -6.863 4.961 1.00 0.00 H +ATOM 209 N SER A 14 6.215 -5.060 0.547 1.00 0.00 N +ATOM 210 CA SER A 14 5.985 -4.853 -0.893 1.00 0.00 C +ATOM 211 C SER A 14 7.162 -4.169 -1.609 1.00 0.00 C +ATOM 212 O SER A 14 7.144 -4.019 -2.829 1.00 0.00 O +ATOM 213 CB SER A 14 4.753 -3.963 -1.131 1.00 0.00 C +ATOM 214 OG SER A 14 3.717 -4.170 -0.195 1.00 0.00 O +ATOM 215 H SER A 14 5.645 -4.521 1.187 1.00 0.00 H +ATOM 216 HA SER A 14 5.802 -5.822 -1.361 1.00 0.00 H +ATOM 217 HB2 SER A 14 5.060 -2.936 -1.075 1.00 0.00 H +ATOM 218 HB3 SER A 14 4.378 -4.145 -2.137 1.00 0.00 H +ATOM 219 HG SER A 14 3.940 -3.652 0.618 1.00 0.00 H +ATOM 220 N GLY A 15 8.149 -3.648 -0.867 1.00 0.00 N +ATOM 221 CA GLY A 15 9.308 -2.922 -1.397 1.00 0.00 C +ATOM 222 C GLY A 15 9.025 -1.456 -1.756 1.00 0.00 C +ATOM 223 O GLY A 15 9.889 -0.604 -1.556 1.00 0.00 O +ATOM 224 H GLY A 15 8.079 -3.767 0.134 1.00 0.00 H +ATOM 225 HA2 GLY A 15 10.105 -2.947 -0.656 1.00 0.00 H +ATOM 226 HA3 GLY A 15 9.666 -3.429 -2.292 1.00 0.00 H +ATOM 227 N ARG A 16 7.825 -1.141 -2.266 1.00 0.00 N +ATOM 228 CA ARG A 16 7.373 0.232 -2.551 1.00 0.00 C +ATOM 229 C ARG A 16 6.899 0.948 -1.262 1.00 0.00 C +ATOM 230 O ARG A 16 6.146 0.343 -0.492 1.00 0.00 O +ATOM 231 CB ARG A 16 6.251 0.175 -3.606 1.00 0.00 C +ATOM 232 CG ARG A 16 5.730 1.567 -4.005 1.00 0.00 C +ATOM 233 CD ARG A 16 4.469 1.519 -4.875 1.00 0.00 C +ATOM 234 NE ARG A 16 4.763 1.758 -6.300 1.00 0.00 N +ATOM 235 CZ ARG A 16 3.916 2.227 -7.208 1.00 0.00 C +ATOM 236 NH1 ARG A 16 2.658 2.472 -6.918 1.00 0.00 N +ATOM 237 NH2 ARG A 16 4.320 2.468 -8.433 1.00 0.00 N +ATOM 238 H ARG A 16 7.201 -1.921 -2.440 1.00 0.00 H +ATOM 239 HA ARG A 16 8.223 0.770 -2.970 1.00 0.00 H +ATOM 240 HB2 ARG A 16 6.631 -0.312 -4.483 1.00 0.00 H +ATOM 241 HB3 ARG A 16 5.424 -0.414 -3.204 1.00 0.00 H +ATOM 242 HG2 ARG A 16 5.505 2.115 -3.110 1.00 0.00 H +ATOM 243 HG3 ARG A 16 6.516 2.126 -4.513 1.00 0.00 H +ATOM 244 HD2 ARG A 16 4.016 0.551 -4.774 1.00 0.00 H +ATOM 245 HD3 ARG A 16 3.800 2.303 -4.511 1.00 0.00 H +ATOM 246 HE ARG A 16 5.706 1.581 -6.603 1.00 0.00 H +ATOM 247 HH11 ARG A 16 2.347 2.274 -5.983 1.00 0.00 H +ATOM 248 HH12 ARG A 16 2.019 2.829 -7.604 1.00 0.00 H +ATOM 249 HH21 ARG A 16 5.274 2.298 -8.697 1.00 0.00 H +ATOM 250 HH22 ARG A 16 3.671 2.823 -9.112 1.00 0.00 H +ATOM 251 N PRO A 17 7.238 2.239 -1.049 1.00 0.00 N +ATOM 252 CA PRO A 17 6.752 3.031 0.091 1.00 0.00 C +ATOM 253 C PRO A 17 5.220 3.248 0.078 1.00 0.00 C +ATOM 254 O PRO A 17 4.591 3.120 -0.974 1.00 0.00 O +ATOM 255 CB PRO A 17 7.502 4.368 0.005 1.00 0.00 C +ATOM 256 CG PRO A 17 7.850 4.499 -1.475 1.00 0.00 C +ATOM 257 CD PRO A 17 8.119 3.053 -1.878 1.00 0.00 C +ATOM 258 HA PRO A 17 7.029 2.523 1.014 1.00 0.00 H +ATOM 259 HB2 PRO A 17 6.875 5.179 0.323 1.00 0.00 H +ATOM 260 HB3 PRO A 17 8.421 4.310 0.590 1.00 0.00 H +ATOM 261 HG2 PRO A 17 7.030 4.911 -2.031 1.00 0.00 H +ATOM 262 HG3 PRO A 17 8.722 5.135 -1.635 1.00 0.00 H +ATOM 263 HD2 PRO A 17 7.895 2.907 -2.917 1.00 0.00 H +ATOM 264 HD3 PRO A 17 9.157 2.796 -1.662 1.00 0.00 H +ATOM 265 N PRO A 18 4.609 3.598 1.230 1.00 0.00 N +ATOM 266 CA PRO A 18 3.169 3.836 1.328 1.00 0.00 C +ATOM 267 C PRO A 18 2.742 5.156 0.656 1.00 0.00 C +ATOM 268 O PRO A 18 3.546 6.084 0.554 1.00 0.00 O +ATOM 269 CB PRO A 18 2.862 3.850 2.829 1.00 0.00 C +ATOM 270 CG PRO A 18 4.166 4.332 3.459 1.00 0.00 C +ATOM 271 CD PRO A 18 5.241 3.765 2.532 1.00 0.00 C +ATOM 272 HA PRO A 18 2.644 3.006 0.861 1.00 0.00 H +ATOM 273 HB2 PRO A 18 2.058 4.525 3.049 1.00 0.00 H +ATOM 274 HB3 PRO A 18 2.652 2.837 3.167 1.00 0.00 H +ATOM 275 HG2 PRO A 18 4.207 5.404 3.483 1.00 0.00 H +ATOM 276 HG3 PRO A 18 4.282 3.964 4.478 1.00 0.00 H +ATOM 277 HD2 PRO A 18 6.067 4.446 2.460 1.00 0.00 H +ATOM 278 HD3 PRO A 18 5.572 2.793 2.901 1.00 0.00 H +ATOM 279 N PRO A 19 1.469 5.271 0.226 1.00 0.00 N +ATOM 280 CA PRO A 19 0.934 6.477 -0.411 1.00 0.00 C +ATOM 281 C PRO A 19 0.511 7.576 0.577 1.00 0.00 C +ATOM 282 O PRO A 19 0.337 8.718 0.154 1.00 0.00 O +ATOM 283 CB PRO A 19 -0.292 5.993 -1.191 1.00 0.00 C +ATOM 284 CG PRO A 19 -0.802 4.823 -0.346 1.00 0.00 C +ATOM 285 CD PRO A 19 0.482 4.200 0.195 1.00 0.00 C +ATOM 286 HA PRO A 19 1.665 6.898 -1.103 1.00 0.00 H +ATOM 287 HB2 PRO A 19 -1.032 6.767 -1.264 1.00 0.00 H +ATOM 288 HB3 PRO A 19 0.019 5.632 -2.172 1.00 0.00 H +ATOM 289 HG2 PRO A 19 -1.428 5.170 0.453 1.00 0.00 H +ATOM 290 HG3 PRO A 19 -1.362 4.109 -0.947 1.00 0.00 H +ATOM 291 HD2 PRO A 19 0.321 3.813 1.183 1.00 0.00 H +ATOM 292 HD3 PRO A 19 0.825 3.424 -0.490 1.00 0.00 H +ATOM 293 N SER A 20 0.305 7.237 1.858 1.00 0.00 N +ATOM 294 CA SER A 20 -0.121 8.153 2.922 1.00 0.00 C +ATOM 295 C SER A 20 0.633 7.935 4.225 1.00 0.00 C +ATOM 296 O SER A 20 1.271 6.865 4.365 1.00 0.00 O +ATOM 297 CB SER A 20 -1.606 7.996 3.229 1.00 0.00 C +ATOM 298 OG SER A 20 -1.979 9.152 3.934 1.00 0.00 O +ATOM 299 OXT SER A 20 0.418 8.818 5.086 1.00 0.00 O +ATOM 300 H SER A 20 0.556 6.306 2.160 1.00 0.00 H +ATOM 301 HA SER A 20 0.065 9.179 2.607 1.00 0.00 H +ATOM 302 HB2 SER A 20 -2.169 7.916 2.319 1.00 0.00 H +ATOM 303 HB3 SER A 20 -1.742 7.145 3.893 1.00 0.00 H +ATOM 304 HG SER A 20 -1.222 9.307 4.547 1.00 0.00 H +TER 305 SER A 20 +ENDMDL +MODEL 38 +ATOM 1 N ASN A 1 -6.430 7.268 -0.166 1.00 0.00 N +ATOM 2 CA ASN A 1 -7.338 6.541 -1.083 1.00 0.00 C +ATOM 3 C ASN A 1 -6.741 5.186 -1.487 1.00 0.00 C +ATOM 4 O ASN A 1 -7.302 4.173 -1.103 1.00 0.00 O +ATOM 5 CB ASN A 1 -7.816 7.420 -2.263 1.00 0.00 C +ATOM 6 CG ASN A 1 -6.722 7.736 -3.278 1.00 0.00 C +ATOM 7 OD1 ASN A 1 -6.455 6.960 -4.175 1.00 0.00 O +ATOM 8 ND2 ASN A 1 -5.989 8.824 -3.136 1.00 0.00 N +ATOM 9 H1 ASN A 1 -6.139 6.658 0.586 1.00 0.00 H +ATOM 10 H2 ASN A 1 -5.611 7.592 -0.664 1.00 0.00 H +ATOM 11 H3 ASN A 1 -6.908 8.064 0.234 1.00 0.00 H +ATOM 12 HA ASN A 1 -8.233 6.285 -0.514 1.00 0.00 H +ATOM 13 HB2 ASN A 1 -8.609 6.904 -2.770 1.00 0.00 H +ATOM 14 HB3 ASN A 1 -8.228 8.355 -1.876 1.00 0.00 H +ATOM 15 HD21 ASN A 1 -6.187 9.584 -2.506 1.00 0.00 H +ATOM 16 HD22 ASN A 1 -5.321 8.935 -3.885 1.00 0.00 H +ATOM 17 N LEU A 2 -5.581 5.139 -2.154 1.00 0.00 N +ATOM 18 CA LEU A 2 -4.935 3.924 -2.679 1.00 0.00 C +ATOM 19 C LEU A 2 -4.238 3.028 -1.631 1.00 0.00 C +ATOM 20 O LEU A 2 -3.619 2.024 -1.985 1.00 0.00 O +ATOM 21 CB LEU A 2 -3.974 4.371 -3.806 1.00 0.00 C +ATOM 22 CG LEU A 2 -4.642 4.256 -5.191 1.00 0.00 C +ATOM 23 CD1 LEU A 2 -3.992 5.215 -6.190 1.00 0.00 C +ATOM 24 CD2 LEU A 2 -4.527 2.822 -5.718 1.00 0.00 C +ATOM 25 H LEU A 2 -5.206 6.000 -2.526 1.00 0.00 H +ATOM 26 HA LEU A 2 -5.713 3.296 -3.117 1.00 0.00 H +ATOM 27 HB2 LEU A 2 -3.690 5.392 -3.639 1.00 0.00 H +ATOM 28 HB3 LEU A 2 -3.065 3.769 -3.800 1.00 0.00 H +ATOM 29 HG LEU A 2 -5.698 4.515 -5.115 1.00 0.00 H +ATOM 30 HD11 LEU A 2 -4.204 6.242 -5.892 1.00 0.00 H +ATOM 31 HD12 LEU A 2 -2.915 5.058 -6.224 1.00 0.00 H +ATOM 32 HD13 LEU A 2 -4.414 5.054 -7.182 1.00 0.00 H +ATOM 33 HD21 LEU A 2 -3.478 2.549 -5.839 1.00 0.00 H +ATOM 34 HD22 LEU A 2 -4.998 2.131 -5.020 1.00 0.00 H +ATOM 35 HD23 LEU A 2 -5.031 2.745 -6.681 1.00 0.00 H +ATOM 36 N TYR A 3 -4.360 3.359 -0.340 1.00 0.00 N +ATOM 37 CA TYR A 3 -3.724 2.648 0.772 1.00 0.00 C +ATOM 38 C TYR A 3 -4.137 1.169 0.856 1.00 0.00 C +ATOM 39 O TYR A 3 -3.317 0.329 1.227 1.00 0.00 O +ATOM 40 CB TYR A 3 -4.029 3.379 2.090 1.00 0.00 C +ATOM 41 CG TYR A 3 -2.887 3.312 3.082 1.00 0.00 C +ATOM 42 CD1 TYR A 3 -1.861 4.274 3.013 1.00 0.00 C +ATOM 43 CD2 TYR A 3 -2.830 2.295 4.054 1.00 0.00 C +ATOM 44 CE1 TYR A 3 -0.765 4.215 3.892 1.00 0.00 C +ATOM 45 CE2 TYR A 3 -1.745 2.242 4.951 1.00 0.00 C +ATOM 46 CZ TYR A 3 -0.706 3.197 4.866 1.00 0.00 C +ATOM 47 OH TYR A 3 0.351 3.124 5.717 1.00 0.00 O +ATOM 48 H TYR A 3 -4.937 4.156 -0.129 1.00 0.00 H +ATOM 49 HA TYR A 3 -2.646 2.676 0.609 1.00 0.00 H +ATOM 50 HB2 TYR A 3 -4.231 4.410 1.870 1.00 0.00 H +ATOM 51 HB3 TYR A 3 -4.934 2.967 2.541 1.00 0.00 H +ATOM 52 HD1 TYR A 3 -1.912 5.069 2.285 1.00 0.00 H +ATOM 53 HD2 TYR A 3 -3.617 1.558 4.111 1.00 0.00 H +ATOM 54 HE1 TYR A 3 0.013 4.960 3.818 1.00 0.00 H +ATOM 55 HE2 TYR A 3 -1.685 1.473 5.706 1.00 0.00 H +ATOM 56 HH TYR A 3 1.074 3.686 5.430 1.00 0.00 H +ATOM 57 N ILE A 4 -5.379 0.841 0.456 1.00 0.00 N +ATOM 58 CA ILE A 4 -5.867 -0.543 0.382 1.00 0.00 C +ATOM 59 C ILE A 4 -4.972 -1.370 -0.545 1.00 0.00 C +ATOM 60 O ILE A 4 -4.513 -2.431 -0.139 1.00 0.00 O +ATOM 61 CB ILE A 4 -7.351 -0.631 -0.056 1.00 0.00 C +ATOM 62 CG1 ILE A 4 -8.267 0.276 0.803 1.00 0.00 C +ATOM 63 CG2 ILE A 4 -7.848 -2.085 0.043 1.00 0.00 C +ATOM 64 CD1 ILE A 4 -8.626 1.595 0.106 1.00 0.00 C +ATOM 65 H ILE A 4 -5.992 1.589 0.165 1.00 0.00 H +ATOM 66 HA ILE A 4 -5.785 -0.978 1.379 1.00 0.00 H +ATOM 67 HB ILE A 4 -7.431 -0.341 -1.106 1.00 0.00 H +ATOM 68 HG12 ILE A 4 -9.174 -0.257 1.016 1.00 0.00 H +ATOM 69 HG13 ILE A 4 -7.782 0.492 1.756 1.00 0.00 H +ATOM 70 HG21 ILE A 4 -7.271 -2.734 -0.616 1.00 0.00 H +ATOM 71 HG22 ILE A 4 -7.761 -2.445 1.069 1.00 0.00 H +ATOM 72 HG23 ILE A 4 -8.892 -2.140 -0.270 1.00 0.00 H +ATOM 73 HD11 ILE A 4 -7.974 1.772 -0.749 1.00 0.00 H +ATOM 74 HD12 ILE A 4 -9.658 1.551 -0.248 1.00 0.00 H +ATOM 75 HD13 ILE A 4 -8.528 2.422 0.809 1.00 0.00 H +ATOM 76 N GLN A 5 -4.692 -0.874 -1.757 1.00 0.00 N +ATOM 77 CA GLN A 5 -3.867 -1.563 -2.751 1.00 0.00 C +ATOM 78 C GLN A 5 -2.445 -1.809 -2.222 1.00 0.00 C +ATOM 79 O GLN A 5 -1.929 -2.921 -2.330 1.00 0.00 O +ATOM 80 CB GLN A 5 -3.847 -0.743 -4.058 1.00 0.00 C +ATOM 81 CG GLN A 5 -3.727 -1.623 -5.311 1.00 0.00 C +ATOM 82 CD GLN A 5 -5.084 -2.186 -5.734 1.00 0.00 C +ATOM 83 OE1 GLN A 5 -5.698 -2.984 -5.042 1.00 0.00 O +ATOM 84 NE2 GLN A 5 -5.615 -1.776 -6.871 1.00 0.00 N +ATOM 85 H GLN A 5 -5.036 0.048 -1.986 1.00 0.00 H +ATOM 86 HA GLN A 5 -4.323 -2.535 -2.945 1.00 0.00 H +ATOM 87 HB2 GLN A 5 -4.757 -0.178 -4.122 1.00 0.00 H +ATOM 88 HB3 GLN A 5 -3.011 -0.043 -4.034 1.00 0.00 H +ATOM 89 HG2 GLN A 5 -3.329 -1.033 -6.114 1.00 0.00 H +ATOM 90 HG3 GLN A 5 -3.035 -2.447 -5.128 1.00 0.00 H +ATOM 91 HE21 GLN A 5 -5.153 -1.128 -7.485 1.00 0.00 H +ATOM 92 HE22 GLN A 5 -6.510 -2.185 -7.079 1.00 0.00 H +ATOM 93 N TRP A 6 -1.839 -0.788 -1.599 1.00 0.00 N +ATOM 94 CA TRP A 6 -0.525 -0.892 -0.956 1.00 0.00 C +ATOM 95 C TRP A 6 -0.505 -1.946 0.161 1.00 0.00 C +ATOM 96 O TRP A 6 0.383 -2.798 0.180 1.00 0.00 O +ATOM 97 CB TRP A 6 -0.095 0.486 -0.442 1.00 0.00 C +ATOM 98 CG TRP A 6 1.244 0.517 0.231 1.00 0.00 C +ATOM 99 CD1 TRP A 6 2.442 0.440 -0.391 1.00 0.00 C +ATOM 100 CD2 TRP A 6 1.543 0.573 1.661 1.00 0.00 C +ATOM 101 NE1 TRP A 6 3.455 0.482 0.546 1.00 0.00 N +ATOM 102 CE2 TRP A 6 2.959 0.563 1.826 1.00 0.00 C +ATOM 103 CE3 TRP A 6 0.765 0.602 2.836 1.00 0.00 C +ATOM 104 CZ2 TRP A 6 3.578 0.610 3.082 1.00 0.00 C +ATOM 105 CZ3 TRP A 6 1.375 0.609 4.105 1.00 0.00 C +ATOM 106 CH2 TRP A 6 2.774 0.632 4.232 1.00 0.00 C +ATOM 107 H TRP A 6 -2.350 0.086 -1.539 1.00 0.00 H +ATOM 108 HA TRP A 6 0.198 -1.218 -1.705 1.00 0.00 H +ATOM 109 HB2 TRP A 6 -0.064 1.159 -1.277 1.00 0.00 H +ATOM 110 HB3 TRP A 6 -0.841 0.856 0.262 1.00 0.00 H +ATOM 111 HD1 TRP A 6 2.583 0.342 -1.457 1.00 0.00 H +ATOM 112 HE1 TRP A 6 4.453 0.438 0.329 1.00 0.00 H +ATOM 113 HE3 TRP A 6 -0.312 0.606 2.755 1.00 0.00 H +ATOM 114 HZ2 TRP A 6 4.655 0.607 3.156 1.00 0.00 H +ATOM 115 HZ3 TRP A 6 0.762 0.609 4.996 1.00 0.00 H +ATOM 116 HH2 TRP A 6 3.223 0.656 5.215 1.00 0.00 H +ATOM 117 N LEU A 7 -1.495 -1.933 1.067 1.00 0.00 N +ATOM 118 CA LEU A 7 -1.631 -2.979 2.085 1.00 0.00 C +ATOM 119 C LEU A 7 -1.880 -4.365 1.470 1.00 0.00 C +ATOM 120 O LEU A 7 -1.286 -5.334 1.938 1.00 0.00 O +ATOM 121 CB LEU A 7 -2.736 -2.618 3.092 1.00 0.00 C +ATOM 122 CG LEU A 7 -2.373 -1.484 4.072 1.00 0.00 C +ATOM 123 CD1 LEU A 7 -3.572 -1.205 4.981 1.00 0.00 C +ATOM 124 CD2 LEU A 7 -1.173 -1.831 4.963 1.00 0.00 C +ATOM 125 H LEU A 7 -2.195 -1.196 1.019 1.00 0.00 H +ATOM 126 HA LEU A 7 -0.684 -3.061 2.616 1.00 0.00 H +ATOM 127 HB2 LEU A 7 -3.605 -2.317 2.540 1.00 0.00 H +ATOM 128 HB3 LEU A 7 -2.968 -3.507 3.680 1.00 0.00 H +ATOM 129 HG LEU A 7 -2.145 -0.578 3.513 1.00 0.00 H +ATOM 130 HD11 LEU A 7 -4.432 -0.914 4.377 1.00 0.00 H +ATOM 131 HD12 LEU A 7 -3.821 -2.097 5.558 1.00 0.00 H +ATOM 132 HD13 LEU A 7 -3.338 -0.395 5.671 1.00 0.00 H +ATOM 133 HD21 LEU A 7 -1.337 -2.790 5.456 1.00 0.00 H +ATOM 134 HD22 LEU A 7 -0.263 -1.882 4.367 1.00 0.00 H +ATOM 135 HD23 LEU A 7 -1.035 -1.059 5.719 1.00 0.00 H +ATOM 136 N LYS A 8 -2.706 -4.471 0.416 1.00 0.00 N +ATOM 137 CA LYS A 8 -3.040 -5.736 -0.258 1.00 0.00 C +ATOM 138 C LYS A 8 -1.805 -6.466 -0.789 1.00 0.00 C +ATOM 139 O LYS A 8 -1.742 -7.687 -0.688 1.00 0.00 O +ATOM 140 CB LYS A 8 -4.034 -5.485 -1.410 1.00 0.00 C +ATOM 141 CG LYS A 8 -4.931 -6.689 -1.757 1.00 0.00 C +ATOM 142 CD LYS A 8 -6.238 -6.726 -0.944 1.00 0.00 C +ATOM 143 CE LYS A 8 -6.111 -7.395 0.434 1.00 0.00 C +ATOM 144 NZ LYS A 8 -6.596 -8.795 0.413 1.00 0.00 N +ATOM 145 H LYS A 8 -3.180 -3.623 0.110 1.00 0.00 H +ATOM 146 HA LYS A 8 -3.483 -6.388 0.485 1.00 0.00 H +ATOM 147 HB2 LYS A 8 -4.667 -4.665 -1.133 1.00 0.00 H +ATOM 148 HB3 LYS A 8 -3.469 -5.209 -2.302 1.00 0.00 H +ATOM 149 HG2 LYS A 8 -5.179 -6.640 -2.800 1.00 0.00 H +ATOM 150 HG3 LYS A 8 -4.383 -7.626 -1.648 1.00 0.00 H +ATOM 151 HD2 LYS A 8 -6.571 -5.716 -0.797 1.00 0.00 H +ATOM 152 HD3 LYS A 8 -6.998 -7.246 -1.531 1.00 0.00 H +ATOM 153 HE2 LYS A 8 -5.079 -7.389 0.729 1.00 0.00 H +ATOM 154 HE3 LYS A 8 -6.699 -6.816 1.151 1.00 0.00 H +ATOM 155 HZ1 LYS A 8 -7.551 -8.825 0.081 1.00 0.00 H +ATOM 156 HZ2 LYS A 8 -6.018 -9.355 -0.202 1.00 0.00 H +ATOM 157 HZ3 LYS A 8 -6.565 -9.193 1.343 1.00 0.00 H +ATOM 158 N ASP A 9 -0.838 -5.715 -1.323 1.00 0.00 N +ATOM 159 CA ASP A 9 0.450 -6.224 -1.807 1.00 0.00 C +ATOM 160 C ASP A 9 1.375 -6.712 -0.666 1.00 0.00 C +ATOM 161 O ASP A 9 2.268 -7.521 -0.902 1.00 0.00 O +ATOM 162 CB ASP A 9 1.122 -5.114 -2.638 1.00 0.00 C +ATOM 163 CG ASP A 9 1.749 -5.645 -3.931 1.00 0.00 C +ATOM 164 OD1 ASP A 9 2.908 -6.107 -3.879 1.00 0.00 O +ATOM 165 OD2 ASP A 9 1.053 -5.563 -4.967 1.00 0.00 O +ATOM 166 H ASP A 9 -1.027 -4.724 -1.433 1.00 0.00 H +ATOM 167 HA ASP A 9 0.258 -7.078 -2.459 1.00 0.00 H +ATOM 168 HB2 ASP A 9 0.383 -4.379 -2.891 1.00 0.00 H +ATOM 169 HB3 ASP A 9 1.874 -4.603 -2.038 1.00 0.00 H +ATOM 170 N GLY A 10 1.131 -6.267 0.578 1.00 0.00 N +ATOM 171 CA GLY A 10 1.947 -6.573 1.759 1.00 0.00 C +ATOM 172 C GLY A 10 2.471 -5.343 2.517 1.00 0.00 C +ATOM 173 O GLY A 10 3.312 -5.492 3.405 1.00 0.00 O +ATOM 174 H GLY A 10 0.292 -5.717 0.714 1.00 0.00 H +ATOM 175 HA2 GLY A 10 1.343 -7.159 2.453 1.00 0.00 H +ATOM 176 HA3 GLY A 10 2.809 -7.177 1.472 1.00 0.00 H +ATOM 177 N GLY A 11 2.017 -4.128 2.178 1.00 0.00 N +ATOM 178 CA GLY A 11 2.486 -2.885 2.787 1.00 0.00 C +ATOM 179 C GLY A 11 4.008 -2.719 2.637 1.00 0.00 C +ATOM 180 O GLY A 11 4.503 -2.800 1.506 1.00 0.00 O +ATOM 181 H GLY A 11 1.396 -4.039 1.378 1.00 0.00 H +ATOM 182 HA2 GLY A 11 2.001 -2.048 2.288 1.00 0.00 H +ATOM 183 HA3 GLY A 11 2.186 -2.879 3.832 1.00 0.00 H +ATOM 184 N PRO A 12 4.780 -2.519 3.728 1.00 0.00 N +ATOM 185 CA PRO A 12 6.239 -2.387 3.665 1.00 0.00 C +ATOM 186 C PRO A 12 6.950 -3.575 3.000 1.00 0.00 C +ATOM 187 O PRO A 12 7.979 -3.391 2.354 1.00 0.00 O +ATOM 188 CB PRO A 12 6.713 -2.228 5.117 1.00 0.00 C +ATOM 189 CG PRO A 12 5.470 -1.751 5.866 1.00 0.00 C +ATOM 190 CD PRO A 12 4.331 -2.431 5.110 1.00 0.00 C +ATOM 191 HA PRO A 12 6.480 -1.479 3.109 1.00 0.00 H +ATOM 192 HB2 PRO A 12 7.058 -3.165 5.510 1.00 0.00 H +ATOM 193 HB3 PRO A 12 7.527 -1.506 5.194 1.00 0.00 H +ATOM 194 HG2 PRO A 12 5.494 -2.065 6.892 1.00 0.00 H +ATOM 195 HG3 PRO A 12 5.378 -0.669 5.771 1.00 0.00 H +ATOM 196 HD2 PRO A 12 4.149 -3.411 5.508 1.00 0.00 H +ATOM 197 HD3 PRO A 12 3.421 -1.842 5.212 1.00 0.00 H +ATOM 198 N SER A 13 6.391 -4.788 3.108 1.00 0.00 N +ATOM 199 CA SER A 13 6.963 -6.030 2.565 1.00 0.00 C +ATOM 200 C SER A 13 6.817 -6.172 1.040 1.00 0.00 C +ATOM 201 O SER A 13 7.075 -7.245 0.502 1.00 0.00 O +ATOM 202 CB SER A 13 6.348 -7.235 3.292 1.00 0.00 C +ATOM 203 OG SER A 13 6.588 -7.135 4.685 1.00 0.00 O +ATOM 204 H SER A 13 5.511 -4.881 3.605 1.00 0.00 H +ATOM 205 HA SER A 13 8.033 -6.031 2.772 1.00 0.00 H +ATOM 206 HB2 SER A 13 5.290 -7.255 3.114 1.00 0.00 H +ATOM 207 HB3 SER A 13 6.798 -8.157 2.922 1.00 0.00 H +ATOM 208 HG SER A 13 7.535 -7.126 4.838 1.00 0.00 H +ATOM 209 N SER A 14 6.433 -5.095 0.342 1.00 0.00 N +ATOM 210 CA SER A 14 6.094 -5.070 -1.091 1.00 0.00 C +ATOM 211 C SER A 14 7.131 -4.326 -1.948 1.00 0.00 C +ATOM 212 O SER A 14 6.912 -4.123 -3.139 1.00 0.00 O +ATOM 213 CB SER A 14 4.713 -4.430 -1.320 1.00 0.00 C +ATOM 214 OG SER A 14 3.852 -4.557 -0.209 1.00 0.00 O +ATOM 215 H SER A 14 6.248 -4.262 0.883 1.00 0.00 H +ATOM 216 HA SER A 14 6.036 -6.095 -1.458 1.00 0.00 H +ATOM 217 HB2 SER A 14 4.851 -3.386 -1.528 1.00 0.00 H +ATOM 218 HB3 SER A 14 4.256 -4.900 -2.188 1.00 0.00 H +ATOM 219 HG SER A 14 4.090 -3.859 0.448 1.00 0.00 H +ATOM 220 N GLY A 15 8.234 -3.851 -1.350 1.00 0.00 N +ATOM 221 CA GLY A 15 9.242 -3.043 -2.046 1.00 0.00 C +ATOM 222 C GLY A 15 8.765 -1.634 -2.430 1.00 0.00 C +ATOM 223 O GLY A 15 9.339 -1.029 -3.333 1.00 0.00 O +ATOM 224 H GLY A 15 8.368 -4.078 -0.374 1.00 0.00 H +ATOM 225 HA2 GLY A 15 10.125 -2.943 -1.415 1.00 0.00 H +ATOM 226 HA3 GLY A 15 9.540 -3.557 -2.962 1.00 0.00 H +ATOM 227 N ARG A 16 7.712 -1.116 -1.776 1.00 0.00 N +ATOM 228 CA ARG A 16 7.012 0.119 -2.159 1.00 0.00 C +ATOM 229 C ARG A 16 6.744 1.004 -0.927 1.00 0.00 C +ATOM 230 O ARG A 16 6.192 0.494 0.050 1.00 0.00 O +ATOM 231 CB ARG A 16 5.715 -0.274 -2.903 1.00 0.00 C +ATOM 232 CG ARG A 16 5.325 0.703 -4.024 1.00 0.00 C +ATOM 233 CD ARG A 16 4.678 2.015 -3.540 1.00 0.00 C +ATOM 234 NE ARG A 16 3.237 2.087 -3.842 1.00 0.00 N +ATOM 235 CZ ARG A 16 2.680 2.273 -5.035 1.00 0.00 C +ATOM 236 NH1 ARG A 16 3.403 2.443 -6.118 1.00 0.00 N +ATOM 237 NH2 ARG A 16 1.375 2.289 -5.163 1.00 0.00 N +ATOM 238 H ARG A 16 7.321 -1.668 -1.025 1.00 0.00 H +ATOM 239 HA ARG A 16 7.663 0.650 -2.853 1.00 0.00 H +ATOM 240 HB2 ARG A 16 5.853 -1.247 -3.334 1.00 0.00 H +ATOM 241 HB3 ARG A 16 4.890 -0.391 -2.200 1.00 0.00 H +ATOM 242 HG2 ARG A 16 6.212 0.951 -4.574 1.00 0.00 H +ATOM 243 HG3 ARG A 16 4.637 0.186 -4.695 1.00 0.00 H +ATOM 244 HD2 ARG A 16 4.810 2.091 -2.478 1.00 0.00 H +ATOM 245 HD3 ARG A 16 5.186 2.860 -4.006 1.00 0.00 H +ATOM 246 HE ARG A 16 2.615 2.042 -3.054 1.00 0.00 H +ATOM 247 HH11 ARG A 16 4.402 2.431 -6.023 1.00 0.00 H +ATOM 248 HH12 ARG A 16 2.980 2.582 -7.018 1.00 0.00 H +ATOM 249 HH21 ARG A 16 0.783 2.132 -4.366 1.00 0.00 H +ATOM 250 HH22 ARG A 16 0.966 2.417 -6.070 1.00 0.00 H +ATOM 251 N PRO A 17 7.089 2.310 -0.946 1.00 0.00 N +ATOM 252 CA PRO A 17 6.885 3.210 0.196 1.00 0.00 C +ATOM 253 C PRO A 17 5.393 3.477 0.503 1.00 0.00 C +ATOM 254 O PRO A 17 4.546 3.303 -0.377 1.00 0.00 O +ATOM 255 CB PRO A 17 7.623 4.504 -0.182 1.00 0.00 C +ATOM 256 CG PRO A 17 7.588 4.505 -1.707 1.00 0.00 C +ATOM 257 CD PRO A 17 7.737 3.023 -2.038 1.00 0.00 C +ATOM 258 HA PRO A 17 7.356 2.774 1.077 1.00 0.00 H +ATOM 259 HB2 PRO A 17 7.117 5.363 0.213 1.00 0.00 H +ATOM 260 HB3 PRO A 17 8.658 4.442 0.155 1.00 0.00 H +ATOM 261 HG2 PRO A 17 6.657 4.893 -2.074 1.00 0.00 H +ATOM 262 HG3 PRO A 17 8.394 5.099 -2.134 1.00 0.00 H +ATOM 263 HD2 PRO A 17 7.256 2.797 -2.970 1.00 0.00 H +ATOM 264 HD3 PRO A 17 8.794 2.757 -2.066 1.00 0.00 H +ATOM 265 N PRO A 18 5.059 3.929 1.730 1.00 0.00 N +ATOM 266 CA PRO A 18 3.682 4.205 2.144 1.00 0.00 C +ATOM 267 C PRO A 18 3.095 5.411 1.383 1.00 0.00 C +ATOM 268 O PRO A 18 3.661 6.502 1.452 1.00 0.00 O +ATOM 269 CB PRO A 18 3.748 4.459 3.655 1.00 0.00 C +ATOM 270 CG PRO A 18 5.175 4.956 3.878 1.00 0.00 C +ATOM 271 CD PRO A 18 5.977 4.185 2.832 1.00 0.00 C +ATOM 272 HA PRO A 18 3.080 3.317 1.975 1.00 0.00 H +ATOM 273 HB2 PRO A 18 3.033 5.203 3.949 1.00 0.00 H +ATOM 274 HB3 PRO A 18 3.609 3.517 4.186 1.00 0.00 H +ATOM 275 HG2 PRO A 18 5.245 6.014 3.714 1.00 0.00 H +ATOM 276 HG3 PRO A 18 5.524 4.748 4.890 1.00 0.00 H +ATOM 277 HD2 PRO A 18 6.810 4.771 2.495 1.00 0.00 H +ATOM 278 HD3 PRO A 18 6.310 3.236 3.253 1.00 0.00 H +ATOM 279 N PRO A 19 1.966 5.253 0.661 1.00 0.00 N +ATOM 280 CA PRO A 19 1.331 6.356 -0.052 1.00 0.00 C +ATOM 281 C PRO A 19 0.578 7.268 0.928 1.00 0.00 C +ATOM 282 O PRO A 19 -0.202 6.793 1.754 1.00 0.00 O +ATOM 283 CB PRO A 19 0.397 5.681 -1.061 1.00 0.00 C +ATOM 284 CG PRO A 19 -0.022 4.391 -0.357 1.00 0.00 C +ATOM 285 CD PRO A 19 1.197 4.027 0.492 1.00 0.00 C +ATOM 286 HA PRO A 19 2.080 6.941 -0.589 1.00 0.00 H +ATOM 287 HB2 PRO A 19 -0.455 6.299 -1.267 1.00 0.00 H +ATOM 288 HB3 PRO A 19 0.960 5.433 -1.961 1.00 0.00 H +ATOM 289 HG2 PRO A 19 -0.883 4.555 0.261 1.00 0.00 H +ATOM 290 HG3 PRO A 19 -0.265 3.606 -1.072 1.00 0.00 H +ATOM 291 HD2 PRO A 19 0.884 3.651 1.447 1.00 0.00 H +ATOM 292 HD3 PRO A 19 1.805 3.288 -0.030 1.00 0.00 H +ATOM 293 N SER A 20 0.794 8.581 0.820 1.00 0.00 N +ATOM 294 CA SER A 20 0.068 9.633 1.546 1.00 0.00 C +ATOM 295 C SER A 20 -0.019 10.895 0.692 1.00 0.00 C +ATOM 296 O SER A 20 0.894 11.061 -0.156 1.00 0.00 O +ATOM 297 CB SER A 20 0.690 9.909 2.920 1.00 0.00 C +ATOM 298 OG SER A 20 2.087 10.037 2.813 1.00 0.00 O +ATOM 299 OXT SER A 20 -1.022 11.612 0.858 1.00 0.00 O +ATOM 300 H SER A 20 1.377 8.948 0.073 1.00 0.00 H +ATOM 301 HA SER A 20 -0.962 9.316 1.705 1.00 0.00 H +ATOM 302 HB2 SER A 20 0.282 10.819 3.316 1.00 0.00 H +ATOM 303 HB3 SER A 20 0.461 9.076 3.584 1.00 0.00 H +ATOM 304 HG SER A 20 2.347 9.513 2.048 1.00 0.00 H +TER 305 SER A 20 +ENDMDL +MASTER 109 0 0 2 0 0 0 611552 38 0 2 +END diff --git a/examples/unres/CSA/GAB/CSA/global/unrestrained/ene/1l2y_csa_GB000.int b/examples/unres/CSA/GAB/CSA/global/unrestrained/ene/1l2y_csa_GB000.int new file mode 100644 index 0000000..dbc6349 --- /dev/null +++ b/examples/unres/CSA/GAB/CSA/global/unrestrained/ene/1l2y_csa_GB000.int @@ -0,0 +1,2600 @@ + 1 -88.12 0 + 93.9902 91.4469 89.2500 89.4542 89.3747 89.3217 89.2616 88.6456 + 91.0124 95.5919 130.9364 93.9890 94.6583 134.6164 116.7496 131.4564 + 118.9415 119.2810 93.1354 93.2990 + 118.5841 79.4877 52.1005 42.8230 48.1776 58.8031 58.4604 47.4555 + 170.9677 99.7450 -52.6701 81.4239 -58.1706 -159.4000 174.1533 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171.6109 -53.2654 157.1470 104.1280 -55.5894 82.1154 -81.1536 + -163.3524 -165.8557 29.1627 + 152.8467 131.7543 94.4938 144.3777 123.8961 117.5398 154.4433 83.8191 + 138.2770 0.0000 0.0000 107.4963 113.6075 119.9297 0.0000 117.6122 + 116.3624 136.7681 90.5766 116.2814 + -19.3190 -38.4191 -91.2834 -114.5461 -89.8784 -28.3611 -150.3332 -77.7266 + -120.5416 0.0000 0.0000 -101.2719 -76.0821 -82.2299 0.0000 -57.4186 + -119.5327 -153.9562 -80.1864 -80.2624 diff --git a/examples/unres/CSA/GAB/CSA/global/unrestrained/ene/1l2y_remini.inp b/examples/unres/CSA/GAB/CSA/global/unrestrained/ene/1l2y_remini.inp new file mode 100644 index 0000000..7fe64ac --- /dev/null +++ b/examples/unres/CSA/GAB/CSA/global/unrestrained/ene/1l2y_remini.inp @@ -0,0 +1,14 @@ +1l2y +SEED=-3059743 MULTCONF RESCALE_MODE=0 OVERLAP NOSEARCHSC PDBREF +WLONG=1.35279 WSCP=1.59304 WELEC=0.71534 WBOND=1.00000 WANG=1.13873 & +WSCLOC=0.16258 WTOR=1.98599 WTORD=1.57069 WCORRH=0.42887 WCORR5=0.00000 & +WCORR6=0.00000 WEL_LOC=0.16036 WTURN3=1.68722 WTURN4=0.66230 WTURN6=0.00000 & +WVDWPP=0.11371 WHPB=1.00000 WSCCOR=0.00000 & +CUTOFF=7.00000 WCORR4=0.00000 +1l2y.pdb +22 + D ASN LEU TYR ILE GLN TRP LEU LYS ASP GLY GLY PRO SER SER GLY ARG PRO PRO PRO + SER D +0 +0 +1l2y_csa_GB000.int diff --git a/examples/unres/CSA/GAB/CSA/global/unrestrained/ene/1l2y_remini.intin b/examples/unres/CSA/GAB/CSA/global/unrestrained/ene/1l2y_remini.intin new file mode 100644 index 0000000..e69de29 diff --git a/examples/unres/CSA/GAB/CSA/global/unrestrained/ene/1l2y_remini.out_GB000 b/examples/unres/CSA/GAB/CSA/global/unrestrained/ene/1l2y_remini.out_GB000 new file mode 100644 index 0000000..30db070 --- /dev/null +++ b/examples/unres/CSA/GAB/CSA/global/unrestrained/ene/1l2y_remini.out_GB000 @@ -0,0 +1,7245 @@ +-------------------------------------------------------------------------------- + FILE ASSIGNMENT +-------------------------------------------------------------------------------- + Input file : 1l2y_remini.inp + Output file : 1l2y_remini.out_GB000 + + Sidechain potential file : + /users/czarek/UNRES/GIT/unres/PARAM/sc_GB_opt.1gab_3S_qclass5no310-shan2-sc-16- + 10-8k + SCp potential file : /users/czarek/UNRES/GIT/unres/PARAM/scp.parm + Electrostatic potential file : + /users/czarek/UNRES/GIT/unres/PARAM/electr_631Gdp.parm + Cumulant coefficient file : + /users/czarek/UNRES/GIT/unres/PARAM/fourier_opt.parm.1igd_hc_iter3_3 + Torsional parameter file : + /users/czarek/UNRES/GIT/unres/PARAM/torsion_631Gdp.parm + Double torsional parameter file : + /users/czarek/UNRES/GIT/unres/PARAM/torsion_double_631Gdp.parm + SCCOR parameter file : /users/czarek/UNRES/GIT/unres/PARAM/rotcorr_AM1.parm + Bond & inertia constant file : /users/czarek/UNRES/GIT/unres/PARAM/bond.parm + Bending parameter file : + /users/czarek/UNRES/GIT/unres/PARAM/thetaml.5parm + Rotamer parameter file : + /users/czarek/UNRES/GIT/unres/PARAM/scgauss.parm + Threading database : + /users/czarek/UNRES/GIT/unres/PARAM/patterns.cart +-------------------------------------------------------------------------------- +******************************************************************************** +United-residue force field calculation - parallel job. +******************************************************************************** + ### LAST MODIFIED 11/03/09 1:19PM by czarek + ++++ Compile info ++++ + Version CSA and DFA only + +Potential is GB , exponents are 6 12 + +Disulfide bridge parameters: +S-S bridge energy: -5.50 +d0cm: 3.78 akcm: 15.10 +akth: 11.00 akct: 12.00 +v1ss: -1.08 v2ss: 7.61 v3ss: 13.70 + MPI: node= 0 iseed= -3059742 + ran_num 0.273754117333397 +RMSDBC = 3.0 +RMSDBC1 = 0.5 +RMSDBC1MAX = 1.5 +DRMS = 0.1 +RMSDBCM = 3.0 +Time limit (min): 960.0 + RESCALE_MODE 0 +Library routine used to diagonalize matrices. + +Energy-term weights (unscaled): + +WSCC= 1.352790 (SC-SC) +WSCP= 1.593040 (SC-p) +WELEC= 0.715340 (p-p electr) +WVDWPP= 0.113710 (p-p VDW) +WBOND= 1.000000 (stretching) +WANG= 1.138730 (bending) +WSCLOC= 0.162580 (SC local) +WTOR= 1.985990 (torsional) +WTORD= 1.570690 (double torsional) +WSTRAIN= 1.000000 (SS bridges & dist. cnstr.) +WEL_LOC= 0.160360 (multi-body 3-rd order) +WCORR4= 0.428870 (multi-body 4th order) +WCORR5= 0.000000 (multi-body 5th order) +WCORR6= 0.000000 (multi-body 6th order) +WSCCOR= 0.000000 (back-scloc correlation) +WTURN3= 1.687220 (turns, 3rd order) +WTURN4= 0.662300 (turns, 4th order) +WTURN6= 0.000000 (turns, 6th order) +WDFA_D= 0.000000 (DFA, distance) +WDFA_T= 0.000000 (DFA, torsional) +WDFA_N= 0.000000 (DFA, number of neighbor) +WDFA_B= 0.000000 (DFA, beta formation) + +Hydrogen-bonding correlation between contact pairs of peptide groups + +Scaling factor of 1,4 SC-p interactions: 0.400 +General scaling factor of SC-p interactions: 1.000 + +Energy-term weights (scaled): + +WSCC= 1.352790 (SC-SC) +WSCP= 1.593040 (SC-p) +WELEC= 0.715340 (p-p electr) +WVDWPP= 0.113710 (p-p VDW) +WBOND= 1.000000 (stretching) +WANG= 1.138730 (bending) +WSCLOC= 0.162580 (SC local) +WTOR= 1.985990 (torsional) +WTORD= 1.570690 (double torsional) +WSTRAIN= 1.000000 (SS bridges & dist. cnstr.) +WEL_LOC= 0.160360 (multi-body 3-rd order) +WCORR4= 0.428870 (multi-body 4th order) +WCORR5= 0.000000 (multi-body 5th order) +WCORR6= 0.000000 (multi-body 6th order) +WSCCOR= 0.000000 (back-scloc correlatkion) +WTURN3= 1.687220 (turns, 3rd order) +WTURN4= 0.662300 (turns, 4th order) +WTURN6= 0.000000 (turns, 6th order) +WDFA_D= 0.000000 (DFA, distance) +WDFA_T= 0.000000 (DFA, torsional) +WDFA_N= 0.000000 (DFA, number of neighbor) +WDFA_B= 0.000000 (DFA, beta formation) + Reference temperature for weights calculation: 300.000000000000 + Parameters of the SS-bond potential: + D0CM 3.78000000000000 AKCM 15.1000000000000 AKTH + 11.0000000000000 AKCT 12.0000000000000 + V1SS -1.08000000000000 V2SS 7.61000000000000 V3SS + 13.7000000000000 + EBR -5.50000000000000 +PDB data will be read from file 1l2y.pdb + Nres: 21 +Backbone and SC coordinates as read from the PDB + 1 21 D -9.841 4.399 -5.051 -9.841 4.399 -5.051 + 2 14 ASN -8.608 3.135 -1.618 -10.909 3.249 -2.846 + 3 5 LEU -4.923 4.002 -2.452 -4.502 6.849 -1.550 + 4 8 TYR -3.690 2.738 0.981 -1.959 3.143 3.797 + 5 4 ILE -5.857 -0.449 0.613 -7.910 -0.417 1.393 + 6 13 GLN -4.122 -1.167 -2.743 -5.540 -1.315 -5.233 + 7 7 TRP -0.716 -0.631 -0.993 1.727 0.440 1.450 + 8 5 LEU -1.641 -2.932 1.963 -2.262 -1.871 4.556 + 9 19 LYS -3.024 -5.791 -0.269 -3.820 -5.527 -3.146 + 10 16 ASP 0.466 -6.016 -1.905 0.653 -5.125 -3.676 + 11 10 GLY 2.060 -6.618 1.593 2.060 -6.618 1.593 + 12 10 GLY 2.626 -2.967 2.723 2.626 -2.967 2.723 + 13 20 PRO 6.333 -2.533 3.806 5.724 -2.372 5.058 + 14 12 SER 7.049 -6.179 2.704 6.757 -6.938 3.675 + 15 12 SER 6.389 -5.315 -1.015 5.245 -5.350 -1.546 + 16 10 GLY 9.451 -3.116 -1.870 9.451 -3.116 -1.870 + 17 18 ARG 7.289 0.084 -2.054 5.225 -1.826 -3.986 + 18 20 PRO 6.782 3.088 0.345 7.458 3.741 -0.688 + 19 20 PRO 3.287 4.031 1.686 4.025 4.206 2.856 + 20 20 PRO 1.185 6.543 -0.353 0.358 5.421 -0.430 + 21 12 SER 0.852 10.027 1.285 1.151 10.636 1.488 + 22 21 D -1.250 12.539 -0.754 -1.250 12.539 -0.754 +nsup= 20 nstart_sup= 2 + ITEL + 1 21 0 + 2 14 1 + 3 5 1 + 4 8 1 + 5 4 1 + 6 13 1 + 7 7 1 + 8 5 1 + 9 19 1 + 10 16 1 + 11 10 1 + 12 10 2 + 13 20 1 + 14 12 1 + 15 12 1 + 16 10 1 + 17 18 2 + 18 20 2 + 19 20 2 + 20 20 1 + 21 12 0 + ns= 0 iss: +Boundaries in phi angle sampling: +D 1 -180.0 180.0 +ASN 2 -180.0 180.0 +LEU 3 -180.0 180.0 +TYR 4 -180.0 180.0 +ILE 5 -180.0 180.0 +GLN 6 -180.0 180.0 +TRP 7 -180.0 180.0 +LEU 8 -180.0 180.0 +LYS 9 -180.0 180.0 +ASP 10 -180.0 180.0 +GLY 11 -180.0 180.0 +GLY 12 -180.0 180.0 +PRO 13 -180.0 180.0 +SER 14 -180.0 180.0 +SER 15 -180.0 180.0 +GLY 16 -180.0 180.0 +ARG 17 -180.0 180.0 +PRO 18 -180.0 180.0 +PRO 19 -180.0 180.0 +PRO 20 -180.0 180.0 +SER 21 -180.0 180.0 +D 22 -180.0 180.0 +nsup= 20 + nsup= 20 nstart_sup= 2 nstart_seq= 2 + NZ_START= 2 NZ_END= 21 + IZ_SC= 0 + Processor 0 CG group 0 absolute rank 0 nhpb + 0 link_start= 1 link_end 0 + Contact order: 0.337121212121212 + Shifting contacts: 2 2 + 1 TRP 7 TYR 4 + 2 LEU 8 TYR 4 + 3 LYS 9 GLN 6 + 4 GLY 12 TRP 7 + 5 GLY 12 LEU 8 + 6 SER 14 GLY 11 + 7 SER 15 ASP 10 + 8 SER 15 GLY 11 + 9 PRO 19 TRP 7 + 10 PRO 20 LEU 3 + 11 PRO 20 TYR 4 + 12 PRO 20 TRP 7 +intinname +1l2y_csa_GB000.int + +Geometry of the virtual chain. + Res d Theta Gamma Dsc Alpha Beta +D 1 0.000 0.000 0.000 0.000 0.000 0.000 +ASN 2 3.800 0.000 0.000 1.684 90.531 -178.452 +LEU 3 3.800 92.239 0.000 1.939 101.575 -78.530 +TYR 4 3.800 92.239 -180.000 2.484 163.195 -7.440 +ILE 5 3.800 90.357 45.849 1.776 148.228 -110.333 +GLN 6 3.800 89.090 55.194 2.240 164.593 -141.638 +TRP 7 3.800 88.657 49.396 2.605 123.650 -21.913 +LEU 8 3.800 93.032 48.298 1.939 156.202 -108.750 +LYS 9 3.800 94.826 46.843 2.541 106.974 -55.960 +ASP 10 3.800 87.966 59.623 1.709 153.447 -128.646 +GLY 11 3.800 89.908 56.679 0.000 0.000 0.000 +GLY 12 3.800 100.181 -87.304 0.000 0.000 0.000 +PRO 13 3.800 109.073 -127.499 1.345 101.771 -115.580 +SER 14 3.800 89.537 4.261 1.150 144.515 -129.218 +SER 15 3.800 91.815 66.108 1.150 161.047 -100.177 +GLY 16 3.800 101.784 70.140 0.000 0.000 0.000 +ARG 17 3.800 92.201 -108.949 3.020 139.846 -132.716 +PRO 18 3.800 133.225 103.824 1.345 115.610 -118.024 +PRO 19 3.800 121.502 -122.527 1.345 118.575 -122.417 +PRO 20 3.800 117.950 -90.285 1.345 118.959 -126.207 +SER 21 3.800 114.201 -108.328 1.150 128.925 -37.341 +D 22 3.800 114.201 180.000 0.000 0.000 0.000 + + +******************************************************************************** + Processor 0: end reading molecular data. +******************************************************************************** + + +Energy minimization of multiple conformations calculation. + +******************************************************************************** + +Conformation # 1 + +Virtual-chain energies: + +EVDW= -5.277355E+01 WEIGHT= 1.352790D+00 (SC-SC) +EVDW2= 4.508199E+01 WEIGHT= 1.593040D+00 (SC-p) +EES= -9.028203E+01 WEIGHT= 7.153400D-01 (p-p) +EVDWPP= -1.823414E+01 WEIGHT= 1.137100D-01 (p-p VDW) +ESTR= 0.000000E+00 WEIGHT= 1.000000D+00 (stretching) +EBE= -3.853951E+01 WEIGHT= 1.138730D+00 (bending) +ESC= 3.678531E+01 WEIGHT= 1.625800D-01 (SC local) +ETORS= 9.535118E+00 WEIGHT= 1.985990D+00 (torsional) +ETORSD= -6.847822E-01 WEIGHT= 1.570690D+00 (double torsional) +EHBP= 0.000000E+00 WEIGHT= 1.000000D+00 (SS bridges & dist. cnstr.) +ECORR4= -6.543212E+01 WEIGHT= 4.288700D-01 (multi-body) +ECORR5= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body) +ECORR6= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body) +EELLO= -3.343992E-01 WEIGHT= 1.603600D-01 (electrostatic-local) +ETURN3= 1.734098E+01 WEIGHT= 1.687220D+00 (turns, 3rd order) +ETURN4= -4.504336E+00 WEIGHT= 6.623000D-01 (turns, 4th order) +ETURN6= 0.000000E+00 WEIGHT= 0.000000D+00 (turns, 6th order) +ESCCOR= 0.000000E+00 WEIGHT= 0.000000D+00 (backbone-rotamer corr) +EDIHC= 0.000000E+00 (dihedral angle constraints) +ESS= 0.000000E+00 (disulfide-bridge intrinsic energy) +UCONST= 0.000000E+00 (Constraint energy) +EDFAD= 2.377498-315 (DFA distance energy) +EDFAT= 6.953299-310 (DFA torsion energy) +EDFAN= 1.976263-323 (DFA NCa energy) +EDFAB= 8.487983-314 (DFA Beta energy) +ETOT= -8.811500E+01 (total) +RMS deviation from the reference structure: 4.330 + % of native contacts: 25.000 + % of nonnative contacts: 86.364 + contact order: 0.380 + TM-score with the reference structure: 0.28 +Conformation # 2 + +Virtual-chain energies: + +EVDW= -5.251980E+01 WEIGHT= 1.352790D+00 (SC-SC) +EVDW2= 4.557565E+01 WEIGHT= 1.593040D+00 (SC-p) +EES= -8.190119E+01 WEIGHT= 7.153400D-01 (p-p) +EVDWPP= -3.790745E+01 WEIGHT= 1.137100D-01 (p-p VDW) +ESTR= 0.000000E+00 WEIGHT= 1.000000D+00 (stretching) +EBE= -3.825223E+01 WEIGHT= 1.138730D+00 (bending) +ESC= 3.402943E+01 WEIGHT= 1.625800D-01 (SC local) +ETORS= 7.601050E+00 WEIGHT= 1.985990D+00 (torsional) +ETORSD= -8.209219E-01 WEIGHT= 1.570690D+00 (double torsional) +EHBP= 0.000000E+00 WEIGHT= 1.000000D+00 (SS bridges & dist. cnstr.) +ECORR4= -6.006208E+01 WEIGHT= 4.288700D-01 (multi-body) +ECORR5= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body) +ECORR6= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body) +EELLO= -4.725922E+00 WEIGHT= 1.603600D-01 (electrostatic-local) +ETURN3= 1.530707E+01 WEIGHT= 1.687220D+00 (turns, 3rd order) +ETURN4= -7.157321E-01 WEIGHT= 6.623000D-01 (turns, 4th order) +ETURN6= 0.000000E+00 WEIGHT= 0.000000D+00 (turns, 6th order) +ESCCOR= 0.000000E+00 WEIGHT= 0.000000D+00 (backbone-rotamer corr) +EDIHC= 0.000000E+00 (dihedral angle constraints) +ESS= 0.000000E+00 (disulfide-bridge intrinsic energy) +UCONST= 0.000000E+00 (Constraint energy) +EDFAD= 2.377498-315 (DFA distance energy) +EDFAT= 6.953299-310 (DFA torsion energy) +EDFAN= 1.976263-323 (DFA NCa energy) +EDFAB= 8.487983-314 (DFA Beta energy) +ETOT= -8.672665E+01 (total) +RMS deviation from the reference structure: 3.773 + % of native contacts: 33.333 + % of nonnative contacts: 81.818 + contact order: 0.390 + TM-score with the reference structure: 0.29 +Conformation # 3 + +Virtual-chain energies: + +EVDW= -5.446579E+01 WEIGHT= 1.352790D+00 (SC-SC) +EVDW2= 5.095872E+01 WEIGHT= 1.593040D+00 (SC-p) +EES= -1.014699E+02 WEIGHT= 7.153400D-01 (p-p) +EVDWPP= -2.552848E+01 WEIGHT= 1.137100D-01 (p-p VDW) +ESTR= 0.000000E+00 WEIGHT= 1.000000D+00 (stretching) +EBE= -3.717362E+01 WEIGHT= 1.138730D+00 (bending) +ESC= 3.886214E+01 WEIGHT= 1.625800D-01 (SC local) +ETORS= 9.379723E+00 WEIGHT= 1.985990D+00 (torsional) +ETORSD= -1.578345E-01 WEIGHT= 1.570690D+00 (double torsional) +EHBP= 0.000000E+00 WEIGHT= 1.000000D+00 (SS bridges & dist. cnstr.) +ECORR4= -7.663900E+01 WEIGHT= 4.288700D-01 (multi-body) +ECORR5= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body) +ECORR6= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body) +EELLO= -5.522594E+00 WEIGHT= 1.603600D-01 (electrostatic-local) +ETURN3= 1.798695E+01 WEIGHT= 1.687220D+00 (turns, 3rd order) +ETURN4= -2.750841E+00 WEIGHT= 6.623000D-01 (turns, 4th order) +ETURN6= 0.000000E+00 WEIGHT= 0.000000D+00 (turns, 6th order) +ESCCOR= 0.000000E+00 WEIGHT= 0.000000D+00 (backbone-rotamer corr) +EDIHC= 0.000000E+00 (dihedral angle constraints) +ESS= 0.000000E+00 (disulfide-bridge intrinsic energy) +UCONST= 0.000000E+00 (Constraint energy) +EDFAD= 2.377498-315 (DFA distance energy) +EDFAT= 6.953299-310 (DFA torsion energy) +EDFAN= 1.976263-323 (DFA NCa energy) +EDFAB= 8.487983-314 (DFA Beta energy) +ETOT= -9.084990E+01 (total) +RMS deviation from the reference structure: 2.363 + % of native contacts: 50.000 + % of nonnative contacts: 73.913 + contact order: 0.328 + TM-score with the reference structure: 0.30 +Conformation # 4 + +Virtual-chain energies: + +EVDW= -5.606128E+01 WEIGHT= 1.352790D+00 (SC-SC) +EVDW2= 5.183314E+01 WEIGHT= 1.593040D+00 (SC-p) +EES= -9.588857E+01 WEIGHT= 7.153400D-01 (p-p) +EVDWPP= -3.464252E+01 WEIGHT= 1.137100D-01 (p-p VDW) +ESTR= 0.000000E+00 WEIGHT= 1.000000D+00 (stretching) +EBE= -3.689779E+01 WEIGHT= 1.138730D+00 (bending) +ESC= 4.826124E+01 WEIGHT= 1.625800D-01 (SC local) +ETORS= 1.089313E+01 WEIGHT= 1.985990D+00 (torsional) +ETORSD= -3.224198E+00 WEIGHT= 1.570690D+00 (double torsional) +EHBP= 0.000000E+00 WEIGHT= 1.000000D+00 (SS bridges & dist. cnstr.) +ECORR4= -7.305487E+01 WEIGHT= 4.288700D-01 (multi-body) +ECORR5= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body) +ECORR6= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body) +EELLO= -5.019929E+00 WEIGHT= 1.603600D-01 (electrostatic-local) +ETURN3= 1.660072E+01 WEIGHT= 1.687220D+00 (turns, 3rd order) +ETURN4= 1.544090E+00 WEIGHT= 6.623000D-01 (turns, 4th order) +ETURN6= 0.000000E+00 WEIGHT= 0.000000D+00 (turns, 6th order) +ESCCOR= 0.000000E+00 WEIGHT= 0.000000D+00 (backbone-rotamer corr) +EDIHC= 0.000000E+00 (dihedral angle constraints) +ESS= 0.000000E+00 (disulfide-bridge intrinsic energy) +UCONST= 0.000000E+00 (Constraint energy) +EDFAD= 2.377498-315 (DFA distance energy) +EDFAT= 6.953299-310 (DFA torsion energy) +EDFAN= 1.976263-323 (DFA NCa energy) +EDFAB= 8.487983-314 (DFA Beta energy) +ETOT= -8.650422E+01 (total) +RMS deviation from the reference structure: 2.838 + % of native contacts: 66.667 + % of nonnative contacts: 66.667 + contact order: 0.360 + TM-score with the reference structure: 0.30 +Conformation # 5 + +Virtual-chain energies: + +EVDW= -5.255321E+01 WEIGHT= 1.352790D+00 (SC-SC) +EVDW2= 4.613308E+01 WEIGHT= 1.593040D+00 (SC-p) +EES= -8.863095E+01 WEIGHT= 7.153400D-01 (p-p) +EVDWPP= -1.686737E+01 WEIGHT= 1.137100D-01 (p-p VDW) +ESTR= 0.000000E+00 WEIGHT= 1.000000D+00 (stretching) +EBE= -4.122930E+01 WEIGHT= 1.138730D+00 (bending) +ESC= 3.531258E+01 WEIGHT= 1.625800D-01 (SC local) +ETORS= 1.092832E+01 WEIGHT= 1.985990D+00 (torsional) +ETORSD= -2.038195E+00 WEIGHT= 1.570690D+00 (double torsional) +EHBP= 0.000000E+00 WEIGHT= 1.000000D+00 (SS bridges & dist. cnstr.) +ECORR4= -6.579369E+01 WEIGHT= 4.288700D-01 (multi-body) +ECORR5= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body) +ECORR6= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body) +EELLO= -1.609578E+00 WEIGHT= 1.603600D-01 (electrostatic-local) +ETURN3= 1.869763E+01 WEIGHT= 1.687220D+00 (turns, 3rd order) +ETURN4= -5.052851E+00 WEIGHT= 6.623000D-01 (turns, 4th order) +ETURN6= 0.000000E+00 WEIGHT= 0.000000D+00 (turns, 6th order) +ESCCOR= 0.000000E+00 WEIGHT= 0.000000D+00 (backbone-rotamer corr) +EDIHC= 0.000000E+00 (dihedral angle constraints) +ESS= 0.000000E+00 (disulfide-bridge intrinsic energy) +UCONST= 0.000000E+00 (Constraint energy) +EDFAD= 2.377498-315 (DFA distance energy) +EDFAT= 6.953299-310 (DFA torsion energy) +EDFAN= 1.976263-323 (DFA NCa energy) +EDFAB= 8.487983-314 (DFA Beta energy) +ETOT= -8.590119E+01 (total) +RMS deviation from the reference structure: 5.007 + % of native contacts: 33.333 + % of nonnative contacts: 83.333 + contact order: 0.339 + TM-score with the reference structure: 0.26 +Conformation # 6 + +Virtual-chain energies: + +EVDW= -4.823654E+01 WEIGHT= 1.352790D+00 (SC-SC) +EVDW2= 5.043319E+01 WEIGHT= 1.593040D+00 (SC-p) +EES= -1.041154E+02 WEIGHT= 7.153400D-01 (p-p) +EVDWPP= -2.478315E+01 WEIGHT= 1.137100D-01 (p-p VDW) +ESTR= 0.000000E+00 WEIGHT= 1.000000D+00 (stretching) +EBE= -4.213660E+01 WEIGHT= 1.138730D+00 (bending) +ESC= 2.308890E+01 WEIGHT= 1.625800D-01 (SC local) +ETORS= 1.276788E+01 WEIGHT= 1.985990D+00 (torsional) +ETORSD= -2.275550E+00 WEIGHT= 1.570690D+00 (double torsional) +EHBP= 0.000000E+00 WEIGHT= 1.000000D+00 (SS bridges & dist. cnstr.) +ECORR4= -7.557743E+01 WEIGHT= 4.288700D-01 (multi-body) +ECORR5= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body) +ECORR6= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body) +EELLO= -9.442470E+00 WEIGHT= 1.603600D-01 (electrostatic-local) +ETURN3= 1.819088E+01 WEIGHT= 1.687220D+00 (turns, 3rd order) +ETURN4= 5.680369E+00 WEIGHT= 6.623000D-01 (turns, 4th order) +ETURN6= 0.000000E+00 WEIGHT= 0.000000D+00 (turns, 6th order) +ESCCOR= 0.000000E+00 WEIGHT= 0.000000D+00 (backbone-rotamer corr) +EDIHC= 0.000000E+00 (dihedral angle constraints) +ESS= 0.000000E+00 (disulfide-bridge intrinsic energy) +UCONST= 0.000000E+00 (Constraint energy) +EDFAD= 2.377498-315 (DFA distance energy) +EDFAT= 6.953299-310 (DFA torsion energy) +EDFAN= 1.976263-323 (DFA NCa energy) +EDFAB= 8.487983-314 (DFA Beta energy) +ETOT= -8.412648E+01 (total) +RMS deviation from the reference structure: 4.360 + % of native contacts: 41.667 + % of nonnative contacts: 76.190 + contact order: 0.340 + TM-score with the reference structure: 0.26 +Conformation # 7 + +Virtual-chain energies: + +EVDW= -4.928318E+01 WEIGHT= 1.352790D+00 (SC-SC) +EVDW2= 4.086861E+01 WEIGHT= 1.593040D+00 (SC-p) +EES= -7.804166E+01 WEIGHT= 7.153400D-01 (p-p) +EVDWPP= -2.614202E+01 WEIGHT= 1.137100D-01 (p-p VDW) +ESTR= 0.000000E+00 WEIGHT= 1.000000D+00 (stretching) +EBE= -3.767602E+01 WEIGHT= 1.138730D+00 (bending) +ESC= 2.987689E+01 WEIGHT= 1.625800D-01 (SC local) +ETORS= 7.312651E+00 WEIGHT= 1.985990D+00 (torsional) +ETORSD= -1.214966E+00 WEIGHT= 1.570690D+00 (double torsional) +EHBP= 0.000000E+00 WEIGHT= 1.000000D+00 (SS bridges & dist. cnstr.) +ECORR4= -5.788057E+01 WEIGHT= 4.288700D-01 (multi-body) +ECORR5= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body) +ECORR6= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body) +EELLO= 5.764396E-01 WEIGHT= 1.603600D-01 (electrostatic-local) +ETURN3= 1.546085E+01 WEIGHT= 1.687220D+00 (turns, 3rd order) +ETURN4= -1.278603E+00 WEIGHT= 6.623000D-01 (turns, 4th order) +ETURN6= 0.000000E+00 WEIGHT= 0.000000D+00 (turns, 6th order) +ESCCOR= 0.000000E+00 WEIGHT= 0.000000D+00 (backbone-rotamer corr) +EDIHC= 0.000000E+00 (dihedral angle constraints) +ESS= 0.000000E+00 (disulfide-bridge intrinsic energy) +UCONST= 0.000000E+00 (Constraint energy) +EDFAD= 2.377498-315 (DFA distance energy) +EDFAT= 6.953299-310 (DFA torsion energy) +EDFAN= 1.976263-323 (DFA NCa energy) +EDFAB= 8.487983-314 (DFA Beta energy) +ETOT= -8.528607E+01 (total) +RMS deviation from the reference structure: 3.631 + % of native contacts: 33.333 + % of nonnative contacts: 76.471 + contact order: 0.313 + TM-score with the reference structure: 0.30 +Conformation # 8 + +Virtual-chain energies: + +EVDW= -5.862641E+01 WEIGHT= 1.352790D+00 (SC-SC) +EVDW2= 5.301174E+01 WEIGHT= 1.593040D+00 (SC-p) +EES= -1.055438E+02 WEIGHT= 7.153400D-01 (p-p) +EVDWPP= -2.881520E+01 WEIGHT= 1.137100D-01 (p-p VDW) +ESTR= 0.000000E+00 WEIGHT= 1.000000D+00 (stretching) +EBE= -3.731284E+01 WEIGHT= 1.138730D+00 (bending) +ESC= 5.999344E+01 WEIGHT= 1.625800D-01 (SC local) +ETORS= 1.274223E+01 WEIGHT= 1.985990D+00 (torsional) +ETORSD= -2.776733E+00 WEIGHT= 1.570690D+00 (double torsional) +EHBP= 0.000000E+00 WEIGHT= 1.000000D+00 (SS bridges & dist. cnstr.) +ECORR4= -8.174838E+01 WEIGHT= 4.288700D-01 (multi-body) +ECORR5= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body) +ECORR6= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body) +EELLO= -6.338755E+00 WEIGHT= 1.603600D-01 (electrostatic-local) +ETURN3= 1.909216E+01 WEIGHT= 1.687220D+00 (turns, 3rd order) +ETURN4= 4.173305E-02 WEIGHT= 6.623000D-01 (turns, 4th order) +ETURN6= 0.000000E+00 WEIGHT= 0.000000D+00 (turns, 6th order) +ESCCOR= 0.000000E+00 WEIGHT= 0.000000D+00 (backbone-rotamer corr) +EDIHC= 0.000000E+00 (dihedral angle constraints) +ESS= 0.000000E+00 (disulfide-bridge intrinsic energy) +UCONST= 0.000000E+00 (Constraint energy) +EDFAD= 2.377498-315 (DFA distance energy) +EDFAT= 6.953299-310 (DFA torsion energy) +EDFAN= 1.976263-323 (DFA NCa energy) +EDFAB= 8.487983-314 (DFA Beta energy) +ETOT= -8.926226E+01 (total) +RMS deviation from the reference structure: 2.390 + % of native contacts: 50.000 + % of nonnative contacts: 76.000 + contact order: 0.336 + TM-score with the reference structure: 0.31 +Conformation # 9 + +Virtual-chain energies: + +EVDW= -5.332783E+01 WEIGHT= 1.352790D+00 (SC-SC) +EVDW2= 4.662159E+01 WEIGHT= 1.593040D+00 (SC-p) +EES= -8.454876E+01 WEIGHT= 7.153400D-01 (p-p) +EVDWPP= -3.569960E+01 WEIGHT= 1.137100D-01 (p-p VDW) +ESTR= 0.000000E+00 WEIGHT= 1.000000D+00 (stretching) +EBE= -3.585721E+01 WEIGHT= 1.138730D+00 (bending) +ESC= 4.158059E+01 WEIGHT= 1.625800D-01 (SC local) +ETORS= 9.792527E+00 WEIGHT= 1.985990D+00 (torsional) +ETORSD= -3.212400E+00 WEIGHT= 1.570690D+00 (double torsional) +EHBP= 0.000000E+00 WEIGHT= 1.000000D+00 (SS bridges & dist. cnstr.) +ECORR4= -6.512359E+01 WEIGHT= 4.288700D-01 (multi-body) +ECORR5= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body) +ECORR6= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body) +EELLO= -2.002121E+00 WEIGHT= 1.603600D-01 (electrostatic-local) +ETURN3= 1.468139E+01 WEIGHT= 1.687220D+00 (turns, 3rd order) +ETURN4= 2.449282E+00 WEIGHT= 6.623000D-01 (turns, 4th order) +ETURN6= 0.000000E+00 WEIGHT= 0.000000D+00 (turns, 6th order) +ESCCOR= 0.000000E+00 WEIGHT= 0.000000D+00 (backbone-rotamer corr) +EDIHC= 0.000000E+00 (dihedral angle constraints) +ESS= 0.000000E+00 (disulfide-bridge intrinsic energy) +UCONST= 0.000000E+00 (Constraint energy) +EDFAD= 2.377498-315 (DFA distance energy) +EDFAT= 6.953299-310 (DFA torsion energy) +EDFAN= 1.976263-323 (DFA NCa energy) +EDFAB= 8.487983-314 (DFA Beta energy) +ETOT= -8.393886E+01 (total) +RMS deviation from the reference structure: 3.262 + % of native contacts: 41.667 + % of nonnative contacts: 72.222 + contact order: 0.313 + TM-score with the reference structure: 0.28 +Conformation # 10 + +Virtual-chain energies: + +EVDW= -4.982113E+01 WEIGHT= 1.352790D+00 (SC-SC) +EVDW2= 4.887765E+01 WEIGHT= 1.593040D+00 (SC-p) +EES= -9.530591E+01 WEIGHT= 7.153400D-01 (p-p) +EVDWPP= -2.324039E+01 WEIGHT= 1.137100D-01 (p-p VDW) +ESTR= 0.000000E+00 WEIGHT= 1.000000D+00 (stretching) +EBE= -4.149840E+01 WEIGHT= 1.138730D+00 (bending) +ESC= 4.632018E+01 WEIGHT= 1.625800D-01 (SC local) +ETORS= 8.888793E+00 WEIGHT= 1.985990D+00 (torsional) +ETORSD= 3.515570E-01 WEIGHT= 1.570690D+00 (double torsional) +EHBP= 0.000000E+00 WEIGHT= 1.000000D+00 (SS bridges & dist. cnstr.) +ECORR4= -6.770865E+01 WEIGHT= 4.288700D-01 (multi-body) +ECORR5= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body) +ECORR6= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body) +EELLO= -2.962317E+00 WEIGHT= 1.603600D-01 (electrostatic-local) +ETURN3= 1.745555E+01 WEIGHT= 1.687220D+00 (turns, 3rd order) +ETURN4= -3.276455E+00 WEIGHT= 6.623000D-01 (turns, 4th order) +ETURN6= 0.000000E+00 WEIGHT= 0.000000D+00 (turns, 6th order) +ESCCOR= 0.000000E+00 WEIGHT= 0.000000D+00 (backbone-rotamer corr) +EDIHC= 0.000000E+00 (dihedral angle constraints) +ESS= 0.000000E+00 (disulfide-bridge intrinsic energy) +UCONST= 0.000000E+00 (Constraint energy) +EDFAD= 2.377498-315 (DFA distance energy) +EDFAT= 6.953299-310 (DFA torsion energy) +EDFAN= 1.976263-323 (DFA NCa energy) +EDFAB= 8.487983-314 (DFA Beta energy) +ETOT= -8.410365E+01 (total) +RMS deviation from the reference structure: 4.352 + % of native contacts: 33.333 + % of nonnative contacts: 80.000 + contact order: 0.314 + TM-score with the reference structure: 0.31 +Conformation # 11 + +Virtual-chain energies: + +EVDW= -5.294995E+01 WEIGHT= 1.352790D+00 (SC-SC) +EVDW2= 5.050728E+01 WEIGHT= 1.593040D+00 (SC-p) +EES= -1.003696E+02 WEIGHT= 7.153400D-01 (p-p) +EVDWPP= -2.331857E+01 WEIGHT= 1.137100D-01 (p-p VDW) +ESTR= 0.000000E+00 WEIGHT= 1.000000D+00 (stretching) +EBE= -3.851687E+01 WEIGHT= 1.138730D+00 (bending) +ESC= 4.201114E+01 WEIGHT= 1.625800D-01 (SC local) +ETORS= 1.081150E+01 WEIGHT= 1.985990D+00 (torsional) +ETORSD= -8.682220E-01 WEIGHT= 1.570690D+00 (double torsional) +EHBP= 0.000000E+00 WEIGHT= 1.000000D+00 (SS bridges & dist. cnstr.) +ECORR4= -7.698421E+01 WEIGHT= 4.288700D-01 (multi-body) +ECORR5= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body) +ECORR6= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body) +EELLO= -7.837742E+00 WEIGHT= 1.603600D-01 (electrostatic-local) +ETURN3= 1.913577E+01 WEIGHT= 1.687220D+00 (turns, 3rd order) +ETURN4= 1.242353E+00 WEIGHT= 6.623000D-01 (turns, 4th order) +ETURN6= 0.000000E+00 WEIGHT= 0.000000D+00 (turns, 6th order) +ESCCOR= 0.000000E+00 WEIGHT= 0.000000D+00 (backbone-rotamer corr) +EDIHC= 0.000000E+00 (dihedral angle constraints) +ESS= 0.000000E+00 (disulfide-bridge intrinsic energy) +UCONST= 0.000000E+00 (Constraint energy) +EDFAD= 2.377498-315 (DFA distance energy) +EDFAT= 6.953299-310 (DFA torsion energy) +EDFAN= 1.976263-323 (DFA NCa energy) +EDFAB= 8.487983-314 (DFA Beta energy) +ETOT= -8.370635E+01 (total) +RMS deviation from the reference structure: 2.662 + % of native contacts: 50.000 + % of nonnative contacts: 68.421 + contact order: 0.268 + TM-score with the reference structure: 0.34 +Conformation # 12 + +Virtual-chain energies: + +EVDW= -5.113252E+01 WEIGHT= 1.352790D+00 (SC-SC) +EVDW2= 5.019771E+01 WEIGHT= 1.593040D+00 (SC-p) +EES= -9.003288E+01 WEIGHT= 7.153400D-01 (p-p) +EVDWPP= -3.975274E+01 WEIGHT= 1.137100D-01 (p-p VDW) +ESTR= 0.000000E+00 WEIGHT= 1.000000D+00 (stretching) +EBE= -3.403176E+01 WEIGHT= 1.138730D+00 (bending) +ESC= 2.528815E+01 WEIGHT= 1.625800D-01 (SC local) +ETORS= 6.670682E+00 WEIGHT= 1.985990D+00 (torsional) +ETORSD= 3.814691E-01 WEIGHT= 1.570690D+00 (double torsional) +EHBP= 0.000000E+00 WEIGHT= 1.000000D+00 (SS bridges & dist. cnstr.) +ECORR4= -6.732166E+01 WEIGHT= 4.288700D-01 (multi-body) +ECORR5= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body) +ECORR6= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body) +EELLO= -5.201917E+00 WEIGHT= 1.603600D-01 (electrostatic-local) +ETURN3= 1.498135E+01 WEIGHT= 1.687220D+00 (turns, 3rd order) +ETURN4= -2.412058E+00 WEIGHT= 6.623000D-01 (turns, 4th order) +ETURN6= 0.000000E+00 WEIGHT= 0.000000D+00 (turns, 6th order) +ESCCOR= 0.000000E+00 WEIGHT= 0.000000D+00 (backbone-rotamer corr) +EDIHC= 0.000000E+00 (dihedral angle constraints) +ESS= 0.000000E+00 (disulfide-bridge intrinsic energy) +UCONST= 0.000000E+00 (Constraint energy) +EDFAD= 2.377498-315 (DFA distance energy) +EDFAT= 6.953299-310 (DFA torsion energy) +EDFAN= 1.976263-323 (DFA NCa energy) +EDFAB= 8.487983-314 (DFA Beta energy) +ETOT= -8.495066E+01 (total) +RMS deviation from the reference structure: 3.856 + % of native contacts: 33.333 + % of nonnative contacts: 78.947 + contact order: 0.409 + TM-score with the reference structure: 0.26 +Conformation # 13 + +Virtual-chain energies: + +EVDW= -5.568839E+01 WEIGHT= 1.352790D+00 (SC-SC) +EVDW2= 4.807897E+01 WEIGHT= 1.593040D+00 (SC-p) +EES= -9.705766E+01 WEIGHT= 7.153400D-01 (p-p) +EVDWPP= -2.142923E+01 WEIGHT= 1.137100D-01 (p-p VDW) +ESTR= 0.000000E+00 WEIGHT= 1.000000D+00 (stretching) +EBE= -3.949129E+01 WEIGHT= 1.138730D+00 (bending) +ESC= 5.020838E+01 WEIGHT= 1.625800D-01 (SC local) +ETORS= 1.211623E+01 WEIGHT= 1.985990D+00 (torsional) +ETORSD= -1.989858E+00 WEIGHT= 1.570690D+00 (double torsional) +EHBP= 0.000000E+00 WEIGHT= 1.000000D+00 (SS bridges & dist. cnstr.) +ECORR4= -7.175275E+01 WEIGHT= 4.288700D-01 (multi-body) +ECORR5= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body) +ECORR6= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body) +EELLO= -3.799506E+00 WEIGHT= 1.603600D-01 (electrostatic-local) +ETURN3= 1.920283E+01 WEIGHT= 1.687220D+00 (turns, 3rd order) +ETURN4= -1.109839E+00 WEIGHT= 6.623000D-01 (turns, 4th order) +ETURN6= 0.000000E+00 WEIGHT= 0.000000D+00 (turns, 6th order) +ESCCOR= 0.000000E+00 WEIGHT= 0.000000D+00 (backbone-rotamer corr) +EDIHC= 0.000000E+00 (dihedral angle constraints) +ESS= 0.000000E+00 (disulfide-bridge intrinsic energy) +UCONST= 0.000000E+00 (Constraint energy) +EDFAD= 2.377498-315 (DFA distance energy) +EDFAT= 6.953299-310 (DFA torsion energy) +EDFAN= 1.976263-323 (DFA NCa energy) +EDFAB= 8.487983-314 (DFA Beta energy) +ETOT= -8.619624E+01 (total) +RMS deviation from the reference structure: 3.189 + % of native contacts: 33.333 + % of nonnative contacts: 77.778 + contact order: 0.333 + TM-score with the reference structure: 0.30 +Conformation # 14 + +Virtual-chain energies: + +EVDW= -5.435575E+01 WEIGHT= 1.352790D+00 (SC-SC) +EVDW2= 5.746635E+01 WEIGHT= 1.593040D+00 (SC-p) +EES= -1.188862E+02 WEIGHT= 7.153400D-01 (p-p) +EVDWPP= -1.550518E+01 WEIGHT= 1.137100D-01 (p-p VDW) +ESTR= 0.000000E+00 WEIGHT= 1.000000D+00 (stretching) +EBE= -4.309566E+01 WEIGHT= 1.138730D+00 (bending) +ESC= 5.501625E+01 WEIGHT= 1.625800D-01 (SC local) +ETORS= 1.332433E+01 WEIGHT= 1.985990D+00 (torsional) +ETORSD= 1.707036E+00 WEIGHT= 1.570690D+00 (double torsional) +EHBP= 0.000000E+00 WEIGHT= 1.000000D+00 (SS bridges & dist. cnstr.) +ECORR4= -8.438380E+01 WEIGHT= 4.288700D-01 (multi-body) +ECORR5= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body) +ECORR6= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body) +EELLO= -2.386408E+00 WEIGHT= 1.603600D-01 (electrostatic-local) +ETURN3= 1.927310E+01 WEIGHT= 1.687220D+00 (turns, 3rd order) +ETURN4= -2.128646E+00 WEIGHT= 6.623000D-01 (turns, 4th order) +ETURN6= 0.000000E+00 WEIGHT= 0.000000D+00 (turns, 6th order) +ESCCOR= 0.000000E+00 WEIGHT= 0.000000D+00 (backbone-rotamer corr) +EDIHC= 0.000000E+00 (dihedral angle constraints) +ESS= 0.000000E+00 (disulfide-bridge intrinsic energy) +UCONST= 0.000000E+00 (Constraint energy) +EDFAD= 2.377498-315 (DFA distance energy) +EDFAT= 6.953299-310 (DFA torsion energy) +EDFAN= 1.976263-323 (DFA NCa energy) +EDFAB= 8.487983-314 (DFA Beta energy) +ETOT= -8.524364E+01 (total) +RMS deviation from the reference structure: 2.759 + % of native contacts: 25.000 + % of nonnative contacts: 85.714 + contact order: 0.284 + TM-score with the reference structure: 0.28 +Conformation # 15 + +Virtual-chain energies: + +EVDW= -5.394060E+01 WEIGHT= 1.352790D+00 (SC-SC) +EVDW2= 4.119811E+01 WEIGHT= 1.593040D+00 (SC-p) +EES= -6.696898E+01 WEIGHT= 7.153400D-01 (p-p) +EVDWPP= -3.107548E+01 WEIGHT= 1.137100D-01 (p-p VDW) +ESTR= 0.000000E+00 WEIGHT= 1.000000D+00 (stretching) +EBE= -3.782464E+01 WEIGHT= 1.138730D+00 (bending) +ESC= 4.791239E+01 WEIGHT= 1.625800D-01 (SC local) +ETORS= 5.046426E+00 WEIGHT= 1.985990D+00 (torsional) +ETORSD= -1.222570E+00 WEIGHT= 1.570690D+00 (double torsional) +EHBP= 0.000000E+00 WEIGHT= 1.000000D+00 (SS bridges & dist. cnstr.) +ECORR4= -4.758934E+01 WEIGHT= 4.288700D-01 (multi-body) +ECORR5= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body) +ECORR6= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body) +EELLO= -2.841786E+00 WEIGHT= 1.603600D-01 (electrostatic-local) +ETURN3= 1.337657E+01 WEIGHT= 1.687220D+00 (turns, 3rd order) +ETURN4= -1.286699E+00 WEIGHT= 6.623000D-01 (turns, 4th order) +ETURN6= 0.000000E+00 WEIGHT= 0.000000D+00 (turns, 6th order) +ESCCOR= 0.000000E+00 WEIGHT= 0.000000D+00 (backbone-rotamer corr) +EDIHC= 0.000000E+00 (dihedral angle constraints) +ESS= 0.000000E+00 (disulfide-bridge intrinsic energy) +UCONST= 0.000000E+00 (Constraint energy) +EDFAD= 2.377498-315 (DFA distance energy) +EDFAT= 6.953299-310 (DFA torsion energy) +EDFAN= 1.976263-323 (DFA NCa energy) +EDFAB= 8.487983-314 (DFA Beta energy) +ETOT= -8.510814E+01 (total) +RMS deviation from the reference structure: 5.534 + % of native contacts: 16.667 + % of nonnative contacts: 88.889 + contact order: 0.364 + TM-score with the reference structure: 0.22 +Conformation # 16 + +Virtual-chain energies: + +EVDW= -5.178682E+01 WEIGHT= 1.352790D+00 (SC-SC) +EVDW2= 4.899694E+01 WEIGHT= 1.593040D+00 (SC-p) +EES= -1.022833E+02 WEIGHT= 7.153400D-01 (p-p) +EVDWPP= -2.356749E+01 WEIGHT= 1.137100D-01 (p-p VDW) +ESTR= 0.000000E+00 WEIGHT= 1.000000D+00 (stretching) +EBE= -3.973712E+01 WEIGHT= 1.138730D+00 (bending) +ESC= 4.926765E+01 WEIGHT= 1.625800D-01 (SC local) +ETORS= 1.045676E+01 WEIGHT= 1.985990D+00 (torsional) +ETORSD= 1.031618E+00 WEIGHT= 1.570690D+00 (double torsional) +EHBP= 0.000000E+00 WEIGHT= 1.000000D+00 (SS bridges & dist. cnstr.) +ECORR4= -7.143717E+01 WEIGHT= 4.288700D-01 (multi-body) +ECORR5= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body) +ECORR6= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body) +EELLO= -3.207673E+00 WEIGHT= 1.603600D-01 (electrostatic-local) +ETURN3= 1.751152E+01 WEIGHT= 1.687220D+00 (turns, 3rd order) +ETURN4= -3.222045E+00 WEIGHT= 6.623000D-01 (turns, 4th order) +ETURN6= 0.000000E+00 WEIGHT= 0.000000D+00 (turns, 6th order) +ESCCOR= 0.000000E+00 WEIGHT= 0.000000D+00 (backbone-rotamer corr) +EDIHC= 0.000000E+00 (dihedral angle constraints) +ESS= 0.000000E+00 (disulfide-bridge intrinsic energy) +UCONST= 0.000000E+00 (Constraint energy) +EDFAD= 2.377498-315 (DFA distance energy) +EDFAT= 6.953299-310 (DFA torsion energy) +EDFAN= 1.976263-323 (DFA NCa energy) +EDFAB= 8.487983-314 (DFA Beta energy) +ETOT= -8.644215E+01 (total) +RMS deviation from the reference structure: 3.750 + % of native contacts: 41.667 + % of nonnative contacts: 72.222 + contact order: 0.280 + TM-score with the reference structure: 0.35 +Conformation # 17 + +Virtual-chain energies: + +EVDW= -5.234992E+01 WEIGHT= 1.352790D+00 (SC-SC) +EVDW2= 4.748400E+01 WEIGHT= 1.593040D+00 (SC-p) +EES= -9.668597E+01 WEIGHT= 7.153400D-01 (p-p) +EVDWPP= -2.195393E+01 WEIGHT= 1.137100D-01 (p-p VDW) +ESTR= 0.000000E+00 WEIGHT= 1.000000D+00 (stretching) +EBE= -3.858644E+01 WEIGHT= 1.138730D+00 (bending) +ESC= 2.961446E+01 WEIGHT= 1.625800D-01 (SC local) +ETORS= 1.220670E+01 WEIGHT= 1.985990D+00 (torsional) +ETORSD= -2.573780E+00 WEIGHT= 1.570690D+00 (double torsional) +EHBP= 0.000000E+00 WEIGHT= 1.000000D+00 (SS bridges & dist. cnstr.) +ECORR4= -7.011469E+01 WEIGHT= 4.288700D-01 (multi-body) +ECORR5= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body) +ECORR6= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body) +EELLO= -2.185470E-01 WEIGHT= 1.603600D-01 (electrostatic-local) +ETURN3= 1.708778E+01 WEIGHT= 1.687220D+00 (turns, 3rd order) +ETURN4= 1.630177E+00 WEIGHT= 6.623000D-01 (turns, 4th order) +ETURN6= 0.000000E+00 WEIGHT= 0.000000D+00 (turns, 6th order) +ESCCOR= 0.000000E+00 WEIGHT= 0.000000D+00 (backbone-rotamer corr) +EDIHC= 0.000000E+00 (dihedral angle constraints) +ESS= 0.000000E+00 (disulfide-bridge intrinsic energy) +UCONST= 0.000000E+00 (Constraint energy) +EDFAD= 2.377498-315 (DFA distance energy) +EDFAT= 6.953299-310 (DFA torsion energy) +EDFAN= 1.976263-323 (DFA NCa energy) +EDFAB= 8.487983-314 (DFA Beta energy) +ETOT= -8.595393E+01 (total) +RMS deviation from the reference structure: 3.546 + % of native contacts: 41.667 + % of nonnative contacts: 77.273 + contact order: 0.372 + TM-score with the reference structure: 0.29 +Conformation # 18 + +Virtual-chain energies: + +EVDW= -5.320895E+01 WEIGHT= 1.352790D+00 (SC-SC) +EVDW2= 4.265297E+01 WEIGHT= 1.593040D+00 (SC-p) +EES= -7.984213E+01 WEIGHT= 7.153400D-01 (p-p) +EVDWPP= -2.513972E+01 WEIGHT= 1.137100D-01 (p-p VDW) +ESTR= 0.000000E+00 WEIGHT= 1.000000D+00 (stretching) +EBE= -4.043916E+01 WEIGHT= 1.138730D+00 (bending) +ESC= 4.975030E+01 WEIGHT= 1.625800D-01 (SC local) +ETORS= 9.844203E+00 WEIGHT= 1.985990D+00 (torsional) +ETORSD= -3.040072E-01 WEIGHT= 1.570690D+00 (double torsional) +EHBP= 0.000000E+00 WEIGHT= 1.000000D+00 (SS bridges & dist. cnstr.) +ECORR4= -5.337459E+01 WEIGHT= 4.288700D-01 (multi-body) +ECORR5= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body) +ECORR6= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body) +EELLO= -5.041292E-01 WEIGHT= 1.603600D-01 (electrostatic-local) +ETURN3= 1.310754E+01 WEIGHT= 1.687220D+00 (turns, 3rd order) +ETURN4= -1.164553E+00 WEIGHT= 6.623000D-01 (turns, 4th order) +ETURN6= 0.000000E+00 WEIGHT= 0.000000D+00 (turns, 6th order) +ESCCOR= 0.000000E+00 WEIGHT= 0.000000D+00 (backbone-rotamer corr) +EDIHC= 0.000000E+00 (dihedral angle constraints) +ESS= 0.000000E+00 (disulfide-bridge intrinsic energy) +UCONST= 0.000000E+00 (Constraint energy) +EDFAD= 2.377498-315 (DFA distance energy) +EDFAT= 6.953299-310 (DFA torsion energy) +EDFAN= 1.976263-323 (DFA NCa energy) +EDFAB= 8.487983-314 (DFA Beta energy) +ETOT= -8.452105E+01 (total) +RMS deviation from the reference structure: 4.901 + % of native contacts: 16.667 + % of nonnative contacts: 88.889 + contact order: 0.354 + TM-score with the reference structure: 0.27 +Conformation # 19 + +Virtual-chain energies: + +EVDW= -5.355953E+01 WEIGHT= 1.352790D+00 (SC-SC) +EVDW2= 5.202251E+01 WEIGHT= 1.593040D+00 (SC-p) +EES= -1.105237E+02 WEIGHT= 7.153400D-01 (p-p) +EVDWPP= -1.860270E+01 WEIGHT= 1.137100D-01 (p-p VDW) +ESTR= 0.000000E+00 WEIGHT= 1.000000D+00 (stretching) +EBE= -3.883534E+01 WEIGHT= 1.138730D+00 (bending) +ESC= 4.166339E+01 WEIGHT= 1.625800D-01 (SC local) +ETORS= 1.340608E+01 WEIGHT= 1.985990D+00 (torsional) +ETORSD= -2.521955E+00 WEIGHT= 1.570690D+00 (double torsional) +EHBP= 0.000000E+00 WEIGHT= 1.000000D+00 (SS bridges & dist. cnstr.) +ECORR4= -8.293640E+01 WEIGHT= 4.288700D-01 (multi-body) +ECORR5= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body) +ECORR6= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body) +EELLO= -3.693358E+00 WEIGHT= 1.603600D-01 (electrostatic-local) +ETURN3= 2.130384E+01 WEIGHT= 1.687220D+00 (turns, 3rd order) +ETURN4= -5.425361E-01 WEIGHT= 6.623000D-01 (turns, 4th order) +ETURN6= 0.000000E+00 WEIGHT= 0.000000D+00 (turns, 6th order) +ESCCOR= 0.000000E+00 WEIGHT= 0.000000D+00 (backbone-rotamer corr) +EDIHC= 0.000000E+00 (dihedral angle constraints) +ESS= 0.000000E+00 (disulfide-bridge intrinsic energy) +UCONST= 0.000000E+00 (Constraint energy) +EDFAD= 2.377498-315 (DFA distance energy) +EDFAT= 6.953299-310 (DFA torsion energy) +EDFAN= 1.976263-323 (DFA NCa energy) +EDFAB= 8.487983-314 (DFA Beta energy) +ETOT= -8.612065E+01 (total) +RMS deviation from the reference structure: 2.066 + % of native contacts: 41.667 + % of nonnative contacts: 73.684 + contact order: 0.321 + TM-score with the reference structure: 0.30 +Conformation # 20 + +Virtual-chain energies: + +EVDW= -5.712499E+01 WEIGHT= 1.352790D+00 (SC-SC) +EVDW2= 5.358032E+01 WEIGHT= 1.593040D+00 (SC-p) +EES= -1.023686E+02 WEIGHT= 7.153400D-01 (p-p) +EVDWPP= -3.246618E+01 WEIGHT= 1.137100D-01 (p-p VDW) +ESTR= 0.000000E+00 WEIGHT= 1.000000D+00 (stretching) +EBE= -3.627662E+01 WEIGHT= 1.138730D+00 (bending) +ESC= 4.396205E+01 WEIGHT= 1.625800D-01 (SC local) +ETORS= 1.207184E+01 WEIGHT= 1.985990D+00 (torsional) +ETORSD= -3.068179E+00 WEIGHT= 1.570690D+00 (double torsional) +EHBP= 0.000000E+00 WEIGHT= 1.000000D+00 (SS bridges & dist. cnstr.) +ECORR4= -8.012339E+01 WEIGHT= 4.288700D-01 (multi-body) +ECORR5= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body) +ECORR6= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body) +EELLO= -8.833204E+00 WEIGHT= 1.603600D-01 (electrostatic-local) +ETURN3= 1.858505E+01 WEIGHT= 1.687220D+00 (turns, 3rd order) +ETURN4= 2.893567E+00 WEIGHT= 6.623000D-01 (turns, 4th order) +ETURN6= 0.000000E+00 WEIGHT= 0.000000D+00 (turns, 6th order) +ESCCOR= 0.000000E+00 WEIGHT= 0.000000D+00 (backbone-rotamer corr) +EDIHC= 0.000000E+00 (dihedral angle constraints) +ESS= 0.000000E+00 (disulfide-bridge intrinsic energy) +UCONST= 0.000000E+00 (Constraint energy) +EDFAD= 2.377498-315 (DFA distance energy) +EDFAT= 6.953299-310 (DFA torsion energy) +EDFAN= 1.976263-323 (DFA NCa energy) +EDFAB= 8.487983-314 (DFA Beta energy) +ETOT= -8.635467E+01 (total) +RMS deviation from the reference structure: 3.133 + % of native contacts: 41.667 + % of nonnative contacts: 76.190 + contact order: 0.377 + TM-score with the reference structure: 0.34 +Conformation # 21 + +Virtual-chain energies: + +EVDW= -5.209557E+01 WEIGHT= 1.352790D+00 (SC-SC) +EVDW2= 4.960633E+01 WEIGHT= 1.593040D+00 (SC-p) +EES= -1.007539E+02 WEIGHT= 7.153400D-01 (p-p) +EVDWPP= -3.312538E+01 WEIGHT= 1.137100D-01 (p-p VDW) +ESTR= 0.000000E+00 WEIGHT= 1.000000D+00 (stretching) +EBE= -3.692254E+01 WEIGHT= 1.138730D+00 (bending) +ESC= 4.668595E+01 WEIGHT= 1.625800D-01 (SC local) +ETORS= 9.319568E+00 WEIGHT= 1.985990D+00 (torsional) +ETORSD= 7.202426E-01 WEIGHT= 1.570690D+00 (double torsional) +EHBP= 0.000000E+00 WEIGHT= 1.000000D+00 (SS bridges & dist. cnstr.) +ECORR4= -7.522076E+01 WEIGHT= 4.288700D-01 (multi-body) +ECORR5= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body) +ECORR6= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body) +EELLO= -5.412386E+00 WEIGHT= 1.603600D-01 (electrostatic-local) +ETURN3= 1.859975E+01 WEIGHT= 1.687220D+00 (turns, 3rd order) +ETURN4= -3.150601E+00 WEIGHT= 6.623000D-01 (turns, 4th order) +ETURN6= 0.000000E+00 WEIGHT= 0.000000D+00 (turns, 6th order) +ESCCOR= 0.000000E+00 WEIGHT= 0.000000D+00 (backbone-rotamer corr) +EDIHC= 0.000000E+00 (dihedral angle constraints) +ESS= 0.000000E+00 (disulfide-bridge intrinsic energy) +UCONST= 0.000000E+00 (Constraint energy) +EDFAD= 2.377498-315 (DFA distance energy) +EDFAT= 6.953299-310 (DFA torsion energy) +EDFAN= 1.976263-323 (DFA NCa energy) +EDFAB= 8.487983-314 (DFA Beta energy) +ETOT= -8.593686E+01 (total) +RMS deviation from the reference structure: 3.048 + % of native contacts: 41.667 + % of nonnative contacts: 72.222 + contact order: 0.308 + TM-score with the reference structure: 0.30 +Conformation # 22 + +Virtual-chain energies: + +EVDW= -5.095974E+01 WEIGHT= 1.352790D+00 (SC-SC) +EVDW2= 5.112440E+01 WEIGHT= 1.593040D+00 (SC-p) +EES= -1.033507E+02 WEIGHT= 7.153400D-01 (p-p) +EVDWPP= -2.050311E+01 WEIGHT= 1.137100D-01 (p-p VDW) +ESTR= 0.000000E+00 WEIGHT= 1.000000D+00 (stretching) +EBE= -3.929738E+01 WEIGHT= 1.138730D+00 (bending) +ESC= 3.707020E+01 WEIGHT= 1.625800D-01 (SC local) +ETORS= 1.206472E+01 WEIGHT= 1.985990D+00 (torsional) +ETORSD= -2.136518E+00 WEIGHT= 1.570690D+00 (double torsional) +EHBP= 0.000000E+00 WEIGHT= 1.000000D+00 (SS bridges & dist. cnstr.) +ECORR4= -7.595904E+01 WEIGHT= 4.288700D-01 (multi-body) +ECORR5= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body) +ECORR6= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body) +EELLO= -1.525163E+00 WEIGHT= 1.603600D-01 (electrostatic-local) +ETURN3= 1.713519E+01 WEIGHT= 1.687220D+00 (turns, 3rd order) +ETURN4= -1.677106E+00 WEIGHT= 6.623000D-01 (turns, 4th order) +ETURN6= 0.000000E+00 WEIGHT= 0.000000D+00 (turns, 6th order) +ESCCOR= 0.000000E+00 WEIGHT= 0.000000D+00 (backbone-rotamer corr) +EDIHC= 0.000000E+00 (dihedral angle constraints) +ESS= 0.000000E+00 (disulfide-bridge intrinsic energy) +UCONST= 0.000000E+00 (Constraint energy) +EDFAD= 2.377498-315 (DFA distance energy) +EDFAT= 6.953299-310 (DFA torsion energy) +EDFAN= 1.976263-323 (DFA NCa energy) +EDFAB= 8.487983-314 (DFA Beta energy) +ETOT= -8.689557E+01 (total) +RMS deviation from the reference structure: 4.042 + % of native contacts: 25.000 + % of nonnative contacts: 86.364 + contact order: 0.355 + TM-score with the reference structure: 0.31 +Conformation # 23 + +Virtual-chain energies: + +EVDW= -5.150713E+01 WEIGHT= 1.352790D+00 (SC-SC) +EVDW2= 5.420075E+01 WEIGHT= 1.593040D+00 (SC-p) +EES= -1.191296E+02 WEIGHT= 7.153400D-01 (p-p) +EVDWPP= -1.100553E+01 WEIGHT= 1.137100D-01 (p-p VDW) +ESTR= 0.000000E+00 WEIGHT= 1.000000D+00 (stretching) +EBE= -4.123375E+01 WEIGHT= 1.138730D+00 (bending) +ESC= 3.964791E+01 WEIGHT= 1.625800D-01 (SC local) +ETORS= 1.456166E+01 WEIGHT= 1.985990D+00 (torsional) +ETORSD= -9.617097E-01 WEIGHT= 1.570690D+00 (double torsional) +EHBP= 0.000000E+00 WEIGHT= 1.000000D+00 (SS bridges & dist. cnstr.) +ECORR4= -8.851558E+01 WEIGHT= 4.288700D-01 (multi-body) +ECORR5= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body) +ECORR6= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body) +EELLO= -4.490518E-01 WEIGHT= 1.603600D-01 (electrostatic-local) +ETURN3= 2.006566E+01 WEIGHT= 1.687220D+00 (turns, 3rd order) +ETURN4= 6.250428E-01 WEIGHT= 6.623000D-01 (turns, 4th order) +ETURN6= 0.000000E+00 WEIGHT= 0.000000D+00 (turns, 6th order) +ESCCOR= 0.000000E+00 WEIGHT= 0.000000D+00 (backbone-rotamer corr) +EDIHC= 0.000000E+00 (dihedral angle constraints) +ESS= 0.000000E+00 (disulfide-bridge intrinsic energy) +UCONST= 0.000000E+00 (Constraint energy) +EDFAD= 2.377498-315 (DFA distance energy) +EDFAT= 6.953299-310 (DFA torsion energy) +EDFAN= 1.976263-323 (DFA NCa energy) +EDFAB= 8.487983-314 (DFA Beta energy) +ETOT= -8.666794E+01 (total) +RMS deviation from the reference structure: 1.656 + % of native contacts: 66.667 + % of nonnative contacts: 61.905 + contact order: 0.288 + TM-score with the reference structure: 0.33 +Conformation # 24 + +Virtual-chain energies: + +EVDW= -5.959888E+01 WEIGHT= 1.352790D+00 (SC-SC) +EVDW2= 5.259420E+01 WEIGHT= 1.593040D+00 (SC-p) +EES= -1.036390E+02 WEIGHT= 7.153400D-01 (p-p) +EVDWPP= -2.768967E+01 WEIGHT= 1.137100D-01 (p-p VDW) +ESTR= 0.000000E+00 WEIGHT= 1.000000D+00 (stretching) +EBE= -3.730951E+01 WEIGHT= 1.138730D+00 (bending) +ESC= 5.379161E+01 WEIGHT= 1.625800D-01 (SC local) +ETORS= 1.228088E+01 WEIGHT= 1.985990D+00 (torsional) +ETORSD= -2.606335E+00 WEIGHT= 1.570690D+00 (double torsional) +EHBP= 0.000000E+00 WEIGHT= 1.000000D+00 (SS bridges & dist. cnstr.) +ECORR4= -8.016504E+01 WEIGHT= 4.288700D-01 (multi-body) +ECORR5= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body) +ECORR6= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body) +EELLO= -5.103704E+00 WEIGHT= 1.603600D-01 (electrostatic-local) +ETURN3= 1.889639E+01 WEIGHT= 1.687220D+00 (turns, 3rd order) +ETURN4= 1.885477E-01 WEIGHT= 6.623000D-01 (turns, 4th order) +ETURN6= 0.000000E+00 WEIGHT= 0.000000D+00 (turns, 6th order) +ESCCOR= 0.000000E+00 WEIGHT= 0.000000D+00 (backbone-rotamer corr) +EDIHC= 0.000000E+00 (dihedral angle constraints) +ESS= 0.000000E+00 (disulfide-bridge intrinsic energy) +UCONST= 0.000000E+00 (Constraint energy) +EDFAD= 2.377498-315 (DFA distance energy) +EDFAT= 6.953299-310 (DFA torsion energy) +EDFAN= 1.976263-323 (DFA NCa energy) +EDFAB= 8.487983-314 (DFA Beta energy) +ETOT= -9.076142E+01 (total) +RMS deviation from the reference structure: 2.745 + % of native contacts: 50.000 + % of nonnative contacts: 73.913 + contact order: 0.362 + TM-score with the reference structure: 0.32 +Conformation # 25 + +Virtual-chain energies: + +EVDW= -5.445974E+01 WEIGHT= 1.352790D+00 (SC-SC) +EVDW2= 4.539083E+01 WEIGHT= 1.593040D+00 (SC-p) +EES= -7.761325E+01 WEIGHT= 7.153400D-01 (p-p) +EVDWPP= -4.074829E+01 WEIGHT= 1.137100D-01 (p-p VDW) +ESTR= 0.000000E+00 WEIGHT= 1.000000D+00 (stretching) +EBE= -3.583094E+01 WEIGHT= 1.138730D+00 (bending) +ESC= 4.394898E+01 WEIGHT= 1.625800D-01 (SC local) +ETORS= 5.728729E+00 WEIGHT= 1.985990D+00 (torsional) +ETORSD= 9.394145E-01 WEIGHT= 1.570690D+00 (double torsional) +EHBP= 0.000000E+00 WEIGHT= 1.000000D+00 (SS bridges & dist. cnstr.) +ECORR4= -5.664166E+01 WEIGHT= 4.288700D-01 (multi-body) +ECORR5= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body) +ECORR6= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body) +EELLO= -4.262462E+00 WEIGHT= 1.603600D-01 (electrostatic-local) +ETURN3= 1.267298E+01 WEIGHT= 1.687220D+00 (turns, 3rd order) +ETURN4= -2.606288E+00 WEIGHT= 6.623000D-01 (turns, 4th order) +ETURN6= 0.000000E+00 WEIGHT= 0.000000D+00 (turns, 6th order) +ESCCOR= 0.000000E+00 WEIGHT= 0.000000D+00 (backbone-rotamer corr) +EDIHC= 0.000000E+00 (dihedral angle constraints) +ESS= 0.000000E+00 (disulfide-bridge intrinsic energy) +UCONST= 0.000000E+00 (Constraint energy) +EDFAD= 2.377498-315 (DFA distance energy) +EDFAT= 6.953299-310 (DFA torsion energy) +EDFAN= 1.976263-323 (DFA NCa energy) +EDFAB= 8.487983-314 (DFA Beta energy) +ETOT= -8.763982E+01 (total) +RMS deviation from the reference structure: 4.183 + % of native contacts: 58.333 + % of nonnative contacts: 68.182 + contact order: 0.424 + TM-score with the reference structure: 0.25 +Conformation # 26 + +Virtual-chain energies: + +EVDW= -4.966956E+01 WEIGHT= 1.352790D+00 (SC-SC) +EVDW2= 4.446557E+01 WEIGHT= 1.593040D+00 (SC-p) +EES= -8.230978E+01 WEIGHT= 7.153400D-01 (p-p) +EVDWPP= -3.844978E+01 WEIGHT= 1.137100D-01 (p-p VDW) +ESTR= 0.000000E+00 WEIGHT= 1.000000D+00 (stretching) +EBE= -3.848814E+01 WEIGHT= 1.138730D+00 (bending) +ESC= 3.563969E+01 WEIGHT= 1.625800D-01 (SC local) +ETORS= 7.357367E+00 WEIGHT= 1.985990D+00 (torsional) +ETORSD= 2.882118E+00 WEIGHT= 1.570690D+00 (double torsional) +EHBP= 0.000000E+00 WEIGHT= 1.000000D+00 (SS bridges & dist. cnstr.) +ECORR4= -5.997472E+01 WEIGHT= 4.288700D-01 (multi-body) +ECORR5= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body) +ECORR6= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body) +EELLO= -4.754707E+00 WEIGHT= 1.603600D-01 (electrostatic-local) +ETURN3= 1.339746E+01 WEIGHT= 1.687220D+00 (turns, 3rd order) +ETURN4= -6.125048E+00 WEIGHT= 6.623000D-01 (turns, 4th order) +ETURN6= 0.000000E+00 WEIGHT= 0.000000D+00 (turns, 6th order) +ESCCOR= 0.000000E+00 WEIGHT= 0.000000D+00 (backbone-rotamer corr) +EDIHC= 0.000000E+00 (dihedral angle constraints) +ESS= 0.000000E+00 (disulfide-bridge intrinsic energy) +UCONST= 0.000000E+00 (Constraint energy) +EDFAD= 2.377498-315 (DFA distance energy) +EDFAT= 6.953299-310 (DFA torsion energy) +EDFAN= 1.976263-323 (DFA NCa energy) +EDFAB= 8.487983-314 (DFA Beta energy) +ETOT= -8.643936E+01 (total) +RMS deviation from the reference structure: 3.024 + % of native contacts: 41.667 + % of nonnative contacts: 77.273 + contact order: 0.343 + TM-score with the reference structure: 0.26 +Conformation # 27 + +Virtual-chain energies: + +EVDW= -5.566609E+01 WEIGHT= 1.352790D+00 (SC-SC) +EVDW2= 5.517011E+01 WEIGHT= 1.593040D+00 (SC-p) +EES= -1.058308E+02 WEIGHT= 7.153400D-01 (p-p) +EVDWPP= -1.989649E+01 WEIGHT= 1.137100D-01 (p-p VDW) +ESTR= 0.000000E+00 WEIGHT= 1.000000D+00 (stretching) +EBE= -3.773481E+01 WEIGHT= 1.138730D+00 (bending) +ESC= 4.458029E+01 WEIGHT= 1.625800D-01 (SC local) +ETORS= 1.060386E+01 WEIGHT= 1.985990D+00 (torsional) +ETORSD= 2.037645E+00 WEIGHT= 1.570690D+00 (double torsional) +EHBP= 0.000000E+00 WEIGHT= 1.000000D+00 (SS bridges & dist. cnstr.) +ECORR4= -7.366676E+01 WEIGHT= 4.288700D-01 (multi-body) +ECORR5= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body) +ECORR6= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body) +EELLO= 1.338445E+00 WEIGHT= 1.603600D-01 (electrostatic-local) +ETURN3= 1.580476E+01 WEIGHT= 1.687220D+00 (turns, 3rd order) +ETURN4= -4.287924E+00 WEIGHT= 6.623000D-01 (turns, 4th order) +ETURN6= 0.000000E+00 WEIGHT= 0.000000D+00 (turns, 6th order) +ESCCOR= 0.000000E+00 WEIGHT= 0.000000D+00 (backbone-rotamer corr) +EDIHC= 0.000000E+00 (dihedral angle constraints) +ESS= 0.000000E+00 (disulfide-bridge intrinsic energy) +UCONST= 0.000000E+00 (Constraint energy) +EDFAD= 2.377498-315 (DFA distance energy) +EDFAT= 6.953299-310 (DFA torsion energy) +EDFAN= 1.976263-323 (DFA NCa energy) +EDFAB= 8.487983-314 (DFA Beta energy) +ETOT= -8.439858E+01 (total) +RMS deviation from the reference structure: 3.767 + % of native contacts: 25.000 + % of nonnative contacts: 86.364 + contact order: 0.353 + TM-score with the reference structure: 0.27 +Conformation # 28 + +Virtual-chain energies: + +EVDW= -5.277341E+01 WEIGHT= 1.352790D+00 (SC-SC) +EVDW2= 3.881431E+01 WEIGHT= 1.593040D+00 (SC-p) +EES= -7.118833E+01 WEIGHT= 7.153400D-01 (p-p) +EVDWPP= -2.463275E+01 WEIGHT= 1.137100D-01 (p-p VDW) +ESTR= 0.000000E+00 WEIGHT= 1.000000D+00 (stretching) +EBE= -3.740733E+01 WEIGHT= 1.138730D+00 (bending) +ESC= 4.577008E+01 WEIGHT= 1.625800D-01 (SC local) +ETORS= 7.127614E+00 WEIGHT= 1.985990D+00 (torsional) +ETORSD= -2.755245E+00 WEIGHT= 1.570690D+00 (double torsional) +EHBP= 0.000000E+00 WEIGHT= 1.000000D+00 (SS bridges & dist. cnstr.) +ECORR4= -5.370897E+01 WEIGHT= 4.288700D-01 (multi-body) +ECORR5= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body) +ECORR6= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body) +EELLO= 5.274222E-01 WEIGHT= 1.603600D-01 (electrostatic-local) +ETURN3= 1.502933E+01 WEIGHT= 1.687220D+00 (turns, 3rd order) +ETURN4= 8.125467E-02 WEIGHT= 6.623000D-01 (turns, 4th order) +ETURN6= 0.000000E+00 WEIGHT= 0.000000D+00 (turns, 6th order) +ESCCOR= 0.000000E+00 WEIGHT= 0.000000D+00 (backbone-rotamer corr) +EDIHC= 0.000000E+00 (dihedral angle constraints) +ESS= 0.000000E+00 (disulfide-bridge intrinsic energy) +UCONST= 0.000000E+00 (Constraint energy) +EDFAD= 2.377498-315 (DFA distance energy) +EDFAT= 6.953299-310 (DFA torsion energy) +EDFAN= 1.976263-323 (DFA NCa energy) +EDFAB= 8.487983-314 (DFA Beta energy) +ETOT= -8.614926E+01 (total) +RMS deviation from the reference structure: 4.957 + % of native contacts: 33.333 + % of nonnative contacts: 78.947 + contact order: 0.411 + TM-score with the reference structure: 0.29 +Conformation # 29 + +Virtual-chain energies: + +EVDW= -5.462286E+01 WEIGHT= 1.352790D+00 (SC-SC) +EVDW2= 4.340363E+01 WEIGHT= 1.593040D+00 (SC-p) +EES= -7.762560E+01 WEIGHT= 7.153400D-01 (p-p) +EVDWPP= -3.731293E+01 WEIGHT= 1.137100D-01 (p-p VDW) +ESTR= 0.000000E+00 WEIGHT= 1.000000D+00 (stretching) +EBE= -3.515043E+01 WEIGHT= 1.138730D+00 (bending) +ESC= 3.535061E+01 WEIGHT= 1.625800D-01 (SC local) +ETORS= 9.107621E+00 WEIGHT= 1.985990D+00 (torsional) +ETORSD= -2.006551E+00 WEIGHT= 1.570690D+00 (double torsional) +EHBP= 0.000000E+00 WEIGHT= 1.000000D+00 (SS bridges & dist. cnstr.) +ECORR4= -5.841278E+01 WEIGHT= 4.288700D-01 (multi-body) +ECORR5= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body) +ECORR6= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body) +EELLO= -3.455033E+00 WEIGHT= 1.603600D-01 (electrostatic-local) +ETURN3= 1.412619E+01 WEIGHT= 1.687220D+00 (turns, 3rd order) +ETURN4= -1.607740E-01 WEIGHT= 6.623000D-01 (turns, 4th order) +ETURN6= 0.000000E+00 WEIGHT= 0.000000D+00 (turns, 6th order) +ESCCOR= 0.000000E+00 WEIGHT= 0.000000D+00 (backbone-rotamer corr) +EDIHC= 0.000000E+00 (dihedral angle constraints) +ESS= 0.000000E+00 (disulfide-bridge intrinsic energy) +UCONST= 0.000000E+00 (Constraint energy) +EDFAD= 2.377498-315 (DFA distance energy) +EDFAT= 6.953299-310 (DFA torsion energy) +EDFAN= 1.976263-323 (DFA NCa energy) +EDFAB= 8.487983-314 (DFA Beta energy) +ETOT= -8.574270E+01 (total) +RMS deviation from the reference structure: 3.699 + % of native contacts: 50.000 + % of nonnative contacts: 72.727 + contact order: 0.370 + TM-score with the reference structure: 0.21 +Conformation # 30 + +Virtual-chain energies: + +EVDW= -5.148081E+01 WEIGHT= 1.352790D+00 (SC-SC) +EVDW2= 4.919636E+01 WEIGHT= 1.593040D+00 (SC-p) +EES= -1.012524E+02 WEIGHT= 7.153400D-01 (p-p) +EVDWPP= -1.945170E+01 WEIGHT= 1.137100D-01 (p-p VDW) +ESTR= 0.000000E+00 WEIGHT= 1.000000D+00 (stretching) +EBE= -4.129861E+01 WEIGHT= 1.138730D+00 (bending) +ESC= 4.837669E+01 WEIGHT= 1.625800D-01 (SC local) +ETORS= 9.795954E+00 WEIGHT= 1.985990D+00 (torsional) +ETORSD= -1.690448E+00 WEIGHT= 1.570690D+00 (double torsional) +EHBP= 0.000000E+00 WEIGHT= 1.000000D+00 (SS bridges & dist. cnstr.) +ECORR4= -7.350375E+01 WEIGHT= 4.288700D-01 (multi-body) +ECORR5= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body) +ECORR6= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body) +EELLO= -1.266630E+00 WEIGHT= 1.603600D-01 (electrostatic-local) +ETURN3= 2.042622E+01 WEIGHT= 1.687220D+00 (turns, 3rd order) +ETURN4= -1.045599E+00 WEIGHT= 6.623000D-01 (turns, 4th order) +ETURN6= 0.000000E+00 WEIGHT= 0.000000D+00 (turns, 6th order) +ESCCOR= 0.000000E+00 WEIGHT= 0.000000D+00 (backbone-rotamer corr) +EDIHC= 0.000000E+00 (dihedral angle constraints) +ESS= 0.000000E+00 (disulfide-bridge intrinsic energy) +UCONST= 0.000000E+00 (Constraint energy) +EDFAD= 2.377498-315 (DFA distance energy) +EDFAT= 6.953299-310 (DFA torsion energy) +EDFAN= 1.976263-323 (DFA NCa energy) +EDFAB= 8.487983-314 (DFA Beta energy) +ETOT= -8.623175E+01 (total) +RMS deviation from the reference structure: 4.179 + % of native contacts: 41.667 + % of nonnative contacts: 76.190 + contact order: 0.301 + TM-score with the reference structure: 0.29 +Conformation # 31 + +Virtual-chain energies: + +EVDW= -4.757415E+01 WEIGHT= 1.352790D+00 (SC-SC) +EVDW2= 3.776181E+01 WEIGHT= 1.593040D+00 (SC-p) +EES= -7.490499E+01 WEIGHT= 7.153400D-01 (p-p) +EVDWPP= -2.951176E+01 WEIGHT= 1.137100D-01 (p-p VDW) +ESTR= 0.000000E+00 WEIGHT= 1.000000D+00 (stretching) +EBE= -4.045494E+01 WEIGHT= 1.138730D+00 (bending) +ESC= 3.455107E+01 WEIGHT= 1.625800D-01 (SC local) +ETORS= 8.451630E+00 WEIGHT= 1.985990D+00 (torsional) +ETORSD= -1.248292E+00 WEIGHT= 1.570690D+00 (double torsional) +EHBP= 0.000000E+00 WEIGHT= 1.000000D+00 (SS bridges & dist. cnstr.) +ECORR4= -5.418072E+01 WEIGHT= 4.288700D-01 (multi-body) +ECORR5= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body) +ECORR6= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body) +EELLO= 1.547778E+00 WEIGHT= 1.603600D-01 (electrostatic-local) +ETURN3= 1.704560E+01 WEIGHT= 1.687220D+00 (turns, 3rd order) +ETURN4= -4.132522E+00 WEIGHT= 6.623000D-01 (turns, 4th order) +ETURN6= 0.000000E+00 WEIGHT= 0.000000D+00 (turns, 6th order) +ESCCOR= 0.000000E+00 WEIGHT= 0.000000D+00 (backbone-rotamer corr) +EDIHC= 0.000000E+00 (dihedral angle constraints) +ESS= 0.000000E+00 (disulfide-bridge intrinsic energy) +UCONST= 0.000000E+00 (Constraint energy) +EDFAD= 2.377498-315 (DFA distance energy) +EDFAT= 6.953299-310 (DFA torsion energy) +EDFAN= 1.976263-323 (DFA NCa energy) +EDFAB= 8.487983-314 (DFA Beta energy) +ETOT= -8.373141E+01 (total) +RMS deviation from the reference structure: 3.878 + % of native contacts: 33.333 + % of nonnative contacts: 75.000 + contact order: 0.298 + TM-score with the reference structure: 0.32 +Conformation # 32 + +Virtual-chain energies: + +EVDW= -5.386187E+01 WEIGHT= 1.352790D+00 (SC-SC) +EVDW2= 4.358028E+01 WEIGHT= 1.593040D+00 (SC-p) +EES= -8.528966E+01 WEIGHT= 7.153400D-01 (p-p) +EVDWPP= -1.630661E+01 WEIGHT= 1.137100D-01 (p-p VDW) +ESTR= 0.000000E+00 WEIGHT= 1.000000D+00 (stretching) +EBE= -3.952087E+01 WEIGHT= 1.138730D+00 (bending) +ESC= 4.102813E+01 WEIGHT= 1.625800D-01 (SC local) +ETORS= 1.013799E+01 WEIGHT= 1.985990D+00 (torsional) +ETORSD= -8.097627E-01 WEIGHT= 1.570690D+00 (double torsional) +EHBP= 0.000000E+00 WEIGHT= 1.000000D+00 (SS bridges & dist. cnstr.) +ECORR4= -6.343325E+01 WEIGHT= 4.288700D-01 (multi-body) +ECORR5= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body) +ECORR6= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body) +EELLO= -3.398533E+00 WEIGHT= 1.603600D-01 (electrostatic-local) +ETURN3= 1.752341E+01 WEIGHT= 1.687220D+00 (turns, 3rd order) +ETURN4= -3.399863E+00 WEIGHT= 6.623000D-01 (turns, 4th order) +ETURN6= 0.000000E+00 WEIGHT= 0.000000D+00 (turns, 6th order) +ESCCOR= 0.000000E+00 WEIGHT= 0.000000D+00 (backbone-rotamer corr) +EDIHC= 0.000000E+00 (dihedral angle constraints) +ESS= 0.000000E+00 (disulfide-bridge intrinsic energy) +UCONST= 0.000000E+00 (Constraint energy) +EDFAD= 2.377498-315 (DFA distance energy) +EDFAT= 6.953299-310 (DFA torsion energy) +EDFAN= 1.976263-323 (DFA NCa energy) +EDFAB= 8.487983-314 (DFA Beta energy) +ETOT= -8.621067E+01 (total) +RMS deviation from the reference structure: 4.884 + % of native contacts: 33.333 + % of nonnative contacts: 80.000 + contact order: 0.307 + TM-score with the reference structure: 0.30 +Conformation # 33 + +Virtual-chain energies: + +EVDW= -5.579406E+01 WEIGHT= 1.352790D+00 (SC-SC) +EVDW2= 4.655968E+01 WEIGHT= 1.593040D+00 (SC-p) +EES= -9.320606E+01 WEIGHT= 7.153400D-01 (p-p) +EVDWPP= -3.039560E+01 WEIGHT= 1.137100D-01 (p-p VDW) +ESTR= 0.000000E+00 WEIGHT= 1.000000D+00 (stretching) +EBE= -3.966985E+01 WEIGHT= 1.138730D+00 (bending) +ESC= 5.203874E+01 WEIGHT= 1.625800D-01 (SC local) +ETORS= 1.061112E+01 WEIGHT= 1.985990D+00 (torsional) +ETORSD= 9.060212E-01 WEIGHT= 1.570690D+00 (double torsional) +EHBP= 0.000000E+00 WEIGHT= 1.000000D+00 (SS bridges & dist. cnstr.) +ECORR4= -6.987129E+01 WEIGHT= 4.288700D-01 (multi-body) +ECORR5= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body) +ECORR6= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body) +EELLO= 3.920821E-01 WEIGHT= 1.603600D-01 (electrostatic-local) +ETURN3= 1.865444E+01 WEIGHT= 1.687220D+00 (turns, 3rd order) +ETURN4= -3.243335E+00 WEIGHT= 6.623000D-01 (turns, 4th order) +ETURN6= 0.000000E+00 WEIGHT= 0.000000D+00 (turns, 6th order) +ESCCOR= 0.000000E+00 WEIGHT= 0.000000D+00 (backbone-rotamer corr) +EDIHC= 0.000000E+00 (dihedral angle constraints) +ESS= 0.000000E+00 (disulfide-bridge intrinsic energy) +UCONST= 0.000000E+00 (Constraint energy) +EDFAD= 2.377498-315 (DFA distance energy) +EDFAT= 6.953299-310 (DFA torsion energy) +EDFAN= 1.976263-323 (DFA NCa energy) +EDFAB= 8.487983-314 (DFA Beta energy) +ETOT= -8.622940E+01 (total) +RMS deviation from the reference structure: 2.901 + % of native contacts: 41.667 + % of nonnative contacts: 76.190 + contact order: 0.364 + TM-score with the reference structure: 0.28 +Conformation # 34 + +Virtual-chain energies: + +EVDW= -5.363846E+01 WEIGHT= 1.352790D+00 (SC-SC) +EVDW2= 4.296679E+01 WEIGHT= 1.593040D+00 (SC-p) +EES= -8.374070E+01 WEIGHT= 7.153400D-01 (p-p) +EVDWPP= -2.637794E+01 WEIGHT= 1.137100D-01 (p-p VDW) +ESTR= 0.000000E+00 WEIGHT= 1.000000D+00 (stretching) +EBE= -3.852895E+01 WEIGHT= 1.138730D+00 (bending) +ESC= 3.808726E+01 WEIGHT= 1.625800D-01 (SC local) +ETORS= 9.765061E+00 WEIGHT= 1.985990D+00 (torsional) +ETORSD= -2.493919E-01 WEIGHT= 1.570690D+00 (double torsional) +EHBP= 0.000000E+00 WEIGHT= 1.000000D+00 (SS bridges & dist. cnstr.) +ECORR4= -6.389055E+01 WEIGHT= 4.288700D-01 (multi-body) +ECORR5= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body) +ECORR6= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body) +EELLO= -5.865779E+00 WEIGHT= 1.603600D-01 (electrostatic-local) +ETURN3= 1.682478E+01 WEIGHT= 1.687220D+00 (turns, 3rd order) +ETURN4= 4.517969E-01 WEIGHT= 6.623000D-01 (turns, 4th order) +ETURN6= 0.000000E+00 WEIGHT= 0.000000D+00 (turns, 6th order) +ESCCOR= 0.000000E+00 WEIGHT= 0.000000D+00 (backbone-rotamer corr) +EDIHC= 0.000000E+00 (dihedral angle constraints) +ESS= 0.000000E+00 (disulfide-bridge intrinsic energy) +UCONST= 0.000000E+00 (Constraint energy) +EDFAD= 2.377498-315 (DFA distance energy) +EDFAT= 6.953299-310 (DFA torsion energy) +EDFAN= 1.976263-323 (DFA NCa energy) +EDFAB= 8.487983-314 (DFA Beta energy) +ETOT= -8.535154E+01 (total) +RMS deviation from the reference structure: 2.998 + % of native contacts: 50.000 + % of nonnative contacts: 73.913 + contact order: 0.342 + TM-score with the reference structure: 0.35 +Conformation # 35 + +Virtual-chain energies: + +EVDW= -5.175158E+01 WEIGHT= 1.352790D+00 (SC-SC) +EVDW2= 4.468054E+01 WEIGHT= 1.593040D+00 (SC-p) +EES= -8.926770E+01 WEIGHT= 7.153400D-01 (p-p) +EVDWPP= -1.161746E+01 WEIGHT= 1.137100D-01 (p-p VDW) +ESTR= 0.000000E+00 WEIGHT= 1.000000D+00 (stretching) +EBE= -4.025623E+01 WEIGHT= 1.138730D+00 (bending) +ESC= 3.330235E+01 WEIGHT= 1.625800D-01 (SC local) +ETORS= 1.033048E+01 WEIGHT= 1.985990D+00 (torsional) +ETORSD= -1.314637E+00 WEIGHT= 1.570690D+00 (double torsional) +EHBP= 0.000000E+00 WEIGHT= 1.000000D+00 (SS bridges & dist. cnstr.) +ECORR4= -6.617084E+01 WEIGHT= 4.288700D-01 (multi-body) +ECORR5= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body) +ECORR6= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body) +EELLO= 8.525965E-01 WEIGHT= 1.603600D-01 (electrostatic-local) +ETURN3= 1.768286E+01 WEIGHT= 1.687220D+00 (turns, 3rd order) +ETURN4= -2.785641E+00 WEIGHT= 6.623000D-01 (turns, 4th order) +ETURN6= 0.000000E+00 WEIGHT= 0.000000D+00 (turns, 6th order) +ESCCOR= 0.000000E+00 WEIGHT= 0.000000D+00 (backbone-rotamer corr) +EDIHC= 0.000000E+00 (dihedral angle constraints) +ESS= 0.000000E+00 (disulfide-bridge intrinsic energy) +UCONST= 0.000000E+00 (Constraint energy) +EDFAD= 2.377498-315 (DFA distance energy) +EDFAT= 6.953299-310 (DFA torsion energy) +EDFAN= 1.976263-323 (DFA NCa energy) +EDFAB= 8.487983-314 (DFA Beta energy) +ETOT= -8.623627E+01 (total) +RMS deviation from the reference structure: 4.731 + % of native contacts: 25.000 + % of nonnative contacts: 83.333 + contact order: 0.402 + TM-score with the reference structure: 0.27 +Conformation # 36 + +Virtual-chain energies: + +EVDW= -5.201704E+01 WEIGHT= 1.352790D+00 (SC-SC) +EVDW2= 4.263827E+01 WEIGHT= 1.593040D+00 (SC-p) +EES= -8.824097E+01 WEIGHT= 7.153400D-01 (p-p) +EVDWPP= -1.501478E+01 WEIGHT= 1.137100D-01 (p-p VDW) +ESTR= 0.000000E+00 WEIGHT= 1.000000D+00 (stretching) +EBE= -4.052596E+01 WEIGHT= 1.138730D+00 (bending) +ESC= 3.928588E+01 WEIGHT= 1.625800D-01 (SC local) +ETORS= 7.712220E+00 WEIGHT= 1.985990D+00 (torsional) +ETORSD= -2.113755E-01 WEIGHT= 1.570690D+00 (double torsional) +EHBP= 0.000000E+00 WEIGHT= 1.000000D+00 (SS bridges & dist. cnstr.) +ECORR4= -6.152853E+01 WEIGHT= 4.288700D-01 (multi-body) +ECORR5= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body) +ECORR6= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body) +EELLO= 1.512091E+00 WEIGHT= 1.603600D-01 (electrostatic-local) +ETURN3= 1.890564E+01 WEIGHT= 1.687220D+00 (turns, 3rd order) +ETURN4= -2.896462E+00 WEIGHT= 6.623000D-01 (turns, 4th order) +ETURN6= 0.000000E+00 WEIGHT= 0.000000D+00 (turns, 6th order) +ESCCOR= 0.000000E+00 WEIGHT= 0.000000D+00 (backbone-rotamer corr) +EDIHC= 0.000000E+00 (dihedral angle constraints) +ESS= 0.000000E+00 (disulfide-bridge intrinsic energy) +UCONST= 0.000000E+00 (Constraint energy) +EDFAD= 2.377498-315 (DFA distance energy) +EDFAT= 6.953299-310 (DFA torsion energy) +EDFAN= 1.976263-323 (DFA NCa energy) +EDFAB= 8.487983-314 (DFA Beta energy) +ETOT= -8.821554E+01 (total) +RMS deviation from the reference structure: 4.369 + % of native contacts: 8.333 + % of nonnative contacts: 93.333 + contact order: 0.333 + TM-score with the reference structure: 0.30 +Conformation # 37 + +Virtual-chain energies: + +EVDW= -5.106615E+01 WEIGHT= 1.352790D+00 (SC-SC) +EVDW2= 3.947288E+01 WEIGHT= 1.593040D+00 (SC-p) +EES= -7.446870E+01 WEIGHT= 7.153400D-01 (p-p) +EVDWPP= -2.826730E+01 WEIGHT= 1.137100D-01 (p-p VDW) +ESTR= 0.000000E+00 WEIGHT= 1.000000D+00 (stretching) +EBE= -4.011417E+01 WEIGHT= 1.138730D+00 (bending) +ESC= 3.411642E+01 WEIGHT= 1.625800D-01 (SC local) +ETORS= 8.269171E+00 WEIGHT= 1.985990D+00 (torsional) +ETORSD= -2.987240E+00 WEIGHT= 1.570690D+00 (double torsional) +EHBP= 0.000000E+00 WEIGHT= 1.000000D+00 (SS bridges & dist. cnstr.) +ECORR4= -5.432380E+01 WEIGHT= 4.288700D-01 (multi-body) +ECORR5= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body) +ECORR6= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body) +EELLO= -4.296774E-01 WEIGHT= 1.603600D-01 (electrostatic-local) +ETURN3= 1.598203E+01 WEIGHT= 1.687220D+00 (turns, 3rd order) +ETURN4= 1.192973E+00 WEIGHT= 6.623000D-01 (turns, 4th order) +ETURN6= 0.000000E+00 WEIGHT= 0.000000D+00 (turns, 6th order) +ESCCOR= 0.000000E+00 WEIGHT= 0.000000D+00 (backbone-rotamer corr) +EDIHC= 0.000000E+00 (dihedral angle constraints) +ESS= 0.000000E+00 (disulfide-bridge intrinsic energy) +UCONST= 0.000000E+00 (Constraint energy) +EDFAD= 2.377498-315 (DFA distance energy) +EDFAT= 6.953299-310 (DFA torsion energy) +EDFAN= 1.976263-323 (DFA NCa energy) +EDFAB= 8.487983-314 (DFA Beta energy) +ETOT= -8.669815E+01 (total) +RMS deviation from the reference structure: 4.583 + % of native contacts: 33.333 + % of nonnative contacts: 77.778 + contact order: 0.371 + TM-score with the reference structure: 0.34 +Conformation # 38 + +Virtual-chain energies: + +EVDW= -5.287391E+01 WEIGHT= 1.352790D+00 (SC-SC) +EVDW2= 4.673027E+01 WEIGHT= 1.593040D+00 (SC-p) +EES= -8.718783E+01 WEIGHT= 7.153400D-01 (p-p) +EVDWPP= -1.712908E+01 WEIGHT= 1.137100D-01 (p-p VDW) +ESTR= 0.000000E+00 WEIGHT= 1.000000D+00 (stretching) +EBE= -3.720145E+01 WEIGHT= 1.138730D+00 (bending) +ESC= 4.168522E+01 WEIGHT= 1.625800D-01 (SC local) +ETORS= 5.727933E+00 WEIGHT= 1.985990D+00 (torsional) +ETORSD= 3.034958E-01 WEIGHT= 1.570690D+00 (double torsional) +EHBP= 0.000000E+00 WEIGHT= 1.000000D+00 (SS bridges & dist. cnstr.) +ECORR4= -6.291848E+01 WEIGHT= 4.288700D-01 (multi-body) +ECORR5= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body) +ECORR6= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body) +EELLO= -4.820944E+00 WEIGHT= 1.603600D-01 (electrostatic-local) +ETURN3= 1.688590E+01 WEIGHT= 1.687220D+00 (turns, 3rd order) +ETURN4= -4.252842E+00 WEIGHT= 6.623000D-01 (turns, 4th order) +ETURN6= 0.000000E+00 WEIGHT= 0.000000D+00 (turns, 6th order) +ESCCOR= 0.000000E+00 WEIGHT= 0.000000D+00 (backbone-rotamer corr) +EDIHC= 0.000000E+00 (dihedral angle constraints) +ESS= 0.000000E+00 (disulfide-bridge intrinsic energy) +UCONST= 0.000000E+00 (Constraint energy) +EDFAD= 2.377498-315 (DFA distance energy) +EDFAT= 6.953299-310 (DFA torsion energy) +EDFAN= 1.976263-323 (DFA NCa energy) +EDFAB= 8.487983-314 (DFA Beta energy) +ETOT= -8.721708E+01 (total) +RMS deviation from the reference structure: 6.030 + % of native contacts: 33.333 + % of nonnative contacts: 81.818 + contact order: 0.364 + TM-score with the reference structure: 0.27 +Conformation # 39 + +Virtual-chain energies: + +EVDW= -5.120310E+01 WEIGHT= 1.352790D+00 (SC-SC) +EVDW2= 5.194509E+01 WEIGHT= 1.593040D+00 (SC-p) +EES= -1.136501E+02 WEIGHT= 7.153400D-01 (p-p) +EVDWPP= -1.441423E+01 WEIGHT= 1.137100D-01 (p-p VDW) +ESTR= 0.000000E+00 WEIGHT= 1.000000D+00 (stretching) +EBE= -4.117798E+01 WEIGHT= 1.138730D+00 (bending) +ESC= 4.161658E+01 WEIGHT= 1.625800D-01 (SC local) +ETORS= 1.466327E+01 WEIGHT= 1.985990D+00 (torsional) +ETORSD= -5.137925E-01 WEIGHT= 1.570690D+00 (double torsional) +EHBP= 0.000000E+00 WEIGHT= 1.000000D+00 (SS bridges & dist. cnstr.) +ECORR4= -8.379194E+01 WEIGHT= 4.288700D-01 (multi-body) +ECORR5= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body) +ECORR6= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body) +EELLO= -3.118002E-01 WEIGHT= 1.603600D-01 (electrostatic-local) +ETURN3= 2.040634E+01 WEIGHT= 1.687220D+00 (turns, 3rd order) +ETURN4= -1.352280E+00 WEIGHT= 6.623000D-01 (turns, 4th order) +ETURN6= 0.000000E+00 WEIGHT= 0.000000D+00 (turns, 6th order) +ESCCOR= 0.000000E+00 WEIGHT= 0.000000D+00 (backbone-rotamer corr) +EDIHC= 0.000000E+00 (dihedral angle constraints) +ESS= 0.000000E+00 (disulfide-bridge intrinsic energy) +UCONST= 0.000000E+00 (Constraint energy) +EDFAD= 2.377498-315 (DFA distance energy) +EDFAT= 6.953299-310 (DFA torsion energy) +EDFAN= 1.976263-323 (DFA NCa energy) +EDFAB= 8.487983-314 (DFA Beta energy) +ETOT= -8.371590E+01 (total) +RMS deviation from the reference structure: 2.343 + % of native contacts: 50.000 + % of nonnative contacts: 68.421 + contact order: 0.292 + TM-score with the reference structure: 0.32 +Conformation # 40 + +Virtual-chain energies: + +EVDW= -5.514521E+01 WEIGHT= 1.352790D+00 (SC-SC) +EVDW2= 5.303908E+01 WEIGHT= 1.593040D+00 (SC-p) +EES= -1.042352E+02 WEIGHT= 7.153400D-01 (p-p) +EVDWPP= -2.387455E+01 WEIGHT= 1.137100D-01 (p-p VDW) +ESTR= 0.000000E+00 WEIGHT= 1.000000D+00 (stretching) +EBE= -3.684417E+01 WEIGHT= 1.138730D+00 (bending) +ESC= 3.700317E+01 WEIGHT= 1.625800D-01 (SC local) +ETORS= 9.499294E+00 WEIGHT= 1.985990D+00 (torsional) +ETORSD= -3.122057E-01 WEIGHT= 1.570690D+00 (double torsional) +EHBP= 0.000000E+00 WEIGHT= 1.000000D+00 (SS bridges & dist. cnstr.) +ECORR4= -7.881465E+01 WEIGHT= 4.288700D-01 (multi-body) +ECORR5= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body) +ECORR6= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body) +EELLO= -5.862813E+00 WEIGHT= 1.603600D-01 (electrostatic-local) +ETURN3= 1.834516E+01 WEIGHT= 1.687220D+00 (turns, 3rd order) +ETURN4= -2.414435E+00 WEIGHT= 6.623000D-01 (turns, 4th order) +ETURN6= 0.000000E+00 WEIGHT= 0.000000D+00 (turns, 6th order) +ESCCOR= 0.000000E+00 WEIGHT= 0.000000D+00 (backbone-rotamer corr) +EDIHC= 0.000000E+00 (dihedral angle constraints) +ESS= 0.000000E+00 (disulfide-bridge intrinsic energy) +UCONST= 0.000000E+00 (Constraint energy) +EDFAD= 2.377498-315 (DFA distance energy) +EDFAT= 6.953299-310 (DFA torsion energy) +EDFAN= 1.976263-323 (DFA NCa energy) +EDFAB= 8.487983-314 (DFA Beta energy) +ETOT= -9.033751E+01 (total) +RMS deviation from the reference structure: 2.466 + % of native contacts: 50.000 + % of nonnative contacts: 73.913 + contact order: 0.356 + TM-score with the reference structure: 0.29 +Conformation # 41 + +Virtual-chain energies: + +EVDW= -5.493934E+01 WEIGHT= 1.352790D+00 (SC-SC) +EVDW2= 5.334434E+01 WEIGHT= 1.593040D+00 (SC-p) +EES= -1.040855E+02 WEIGHT= 7.153400D-01 (p-p) +EVDWPP= -2.753714E+01 WEIGHT= 1.137100D-01 (p-p VDW) +ESTR= 0.000000E+00 WEIGHT= 1.000000D+00 (stretching) +EBE= -3.938478E+01 WEIGHT= 1.138730D+00 (bending) +ESC= 4.022217E+01 WEIGHT= 1.625800D-01 (SC local) +ETORS= 1.009966E+01 WEIGHT= 1.985990D+00 (torsional) +ETORSD= 1.641297E+00 WEIGHT= 1.570690D+00 (double torsional) +EHBP= 0.000000E+00 WEIGHT= 1.000000D+00 (SS bridges & dist. cnstr.) +ECORR4= -7.797576E+01 WEIGHT= 4.288700D-01 (multi-body) +ECORR5= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body) +ECORR6= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body) +EELLO= -5.804942E+00 WEIGHT= 1.603600D-01 (electrostatic-local) +ETURN3= 1.895955E+01 WEIGHT= 1.687220D+00 (turns, 3rd order) +ETURN4= -3.615356E+00 WEIGHT= 6.623000D-01 (turns, 4th order) +ETURN6= 0.000000E+00 WEIGHT= 0.000000D+00 (turns, 6th order) +ESCCOR= 0.000000E+00 WEIGHT= 0.000000D+00 (backbone-rotamer corr) +EDIHC= 0.000000E+00 (dihedral angle constraints) +ESS= 0.000000E+00 (disulfide-bridge intrinsic energy) +UCONST= 0.000000E+00 (Constraint energy) +EDFAD= 2.377498-315 (DFA distance energy) +EDFAT= 6.953299-310 (DFA torsion energy) +EDFAN= 1.976263-323 (DFA NCa energy) +EDFAB= 8.487983-314 (DFA Beta energy) +ETOT= -8.738089E+01 (total) +RMS deviation from the reference structure: 1.785 + % of native contacts: 50.000 + % of nonnative contacts: 72.727 + contact order: 0.316 + TM-score with the reference structure: 0.31 +Conformation # 42 + +Virtual-chain energies: + +EVDW= -5.435560E+01 WEIGHT= 1.352790D+00 (SC-SC) +EVDW2= 5.158760E+01 WEIGHT= 1.593040D+00 (SC-p) +EES= -9.701449E+01 WEIGHT= 7.153400D-01 (p-p) +EVDWPP= -3.455230E+01 WEIGHT= 1.137100D-01 (p-p VDW) +ESTR= 0.000000E+00 WEIGHT= 1.000000D+00 (stretching) +EBE= -3.759778E+01 WEIGHT= 1.138730D+00 (bending) +ESC= 5.178415E+01 WEIGHT= 1.625800D-01 (SC local) +ETORS= 1.130354E+01 WEIGHT= 1.985990D+00 (torsional) +ETORSD= -2.789308E+00 WEIGHT= 1.570690D+00 (double torsional) +EHBP= 0.000000E+00 WEIGHT= 1.000000D+00 (SS bridges & dist. cnstr.) +ECORR4= -7.415345E+01 WEIGHT= 4.288700D-01 (multi-body) +ECORR5= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body) +ECORR6= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body) +EELLO= -5.109616E+00 WEIGHT= 1.603600D-01 (electrostatic-local) +ETURN3= 1.630246E+01 WEIGHT= 1.687220D+00 (turns, 3rd order) +ETURN4= 7.205881E-01 WEIGHT= 6.623000D-01 (turns, 4th order) +ETURN6= 0.000000E+00 WEIGHT= 0.000000D+00 (turns, 6th order) +ESCCOR= 0.000000E+00 WEIGHT= 0.000000D+00 (backbone-rotamer corr) +EDIHC= 0.000000E+00 (dihedral angle constraints) +ESS= 0.000000E+00 (disulfide-bridge intrinsic energy) +UCONST= 0.000000E+00 (Constraint energy) +EDFAD= 2.377498-315 (DFA distance energy) +EDFAT= 6.953299-310 (DFA torsion energy) +EDFAN= 1.976263-323 (DFA NCa energy) +EDFAB= 8.487983-314 (DFA Beta energy) +ETOT= -8.564345E+01 (total) +RMS deviation from the reference structure: 2.997 + % of native contacts: 58.333 + % of nonnative contacts: 69.565 + contact order: 0.338 + TM-score with the reference structure: 0.29 +Conformation # 43 + +Virtual-chain energies: + +EVDW= -5.140403E+01 WEIGHT= 1.352790D+00 (SC-SC) +EVDW2= 4.675019E+01 WEIGHT= 1.593040D+00 (SC-p) +EES= -9.713048E+01 WEIGHT= 7.153400D-01 (p-p) +EVDWPP= -2.173284E+01 WEIGHT= 1.137100D-01 (p-p VDW) +ESTR= 0.000000E+00 WEIGHT= 1.000000D+00 (stretching) +EBE= -3.858767E+01 WEIGHT= 1.138730D+00 (bending) +ESC= 3.809551E+01 WEIGHT= 1.625800D-01 (SC local) +ETORS= 1.223510E+01 WEIGHT= 1.985990D+00 (torsional) +ETORSD= -1.163868E+00 WEIGHT= 1.570690D+00 (double torsional) +EHBP= 0.000000E+00 WEIGHT= 1.000000D+00 (SS bridges & dist. cnstr.) +ECORR4= -7.163815E+01 WEIGHT= 4.288700D-01 (multi-body) +ECORR5= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body) +ECORR6= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body) +EELLO= -1.643986E+00 WEIGHT= 1.603600D-01 (electrostatic-local) +ETURN3= 1.696691E+01 WEIGHT= 1.687220D+00 (turns, 3rd order) +ETURN4= -3.347250E+00 WEIGHT= 6.623000D-01 (turns, 4th order) +ETURN6= 0.000000E+00 WEIGHT= 0.000000D+00 (turns, 6th order) +ESCCOR= 0.000000E+00 WEIGHT= 0.000000D+00 (backbone-rotamer corr) +EDIHC= 0.000000E+00 (dihedral angle constraints) +ESS= 0.000000E+00 (disulfide-bridge intrinsic energy) +UCONST= 0.000000E+00 (Constraint energy) +EDFAD= 2.377498-315 (DFA distance energy) +EDFAT= 6.953299-310 (DFA torsion energy) +EDFAN= 1.976263-323 (DFA NCa energy) +EDFAB= 8.487983-314 (DFA Beta energy) +ETOT= -8.687021E+01 (total) +RMS deviation from the reference structure: 3.524 + % of native contacts: 16.667 + % of nonnative contacts: 88.889 + contact order: 0.323 + TM-score with the reference structure: 0.26 +Conformation # 44 + +Virtual-chain energies: + +EVDW= -5.189721E+01 WEIGHT= 1.352790D+00 (SC-SC) +EVDW2= 5.028576E+01 WEIGHT= 1.593040D+00 (SC-p) +EES= -1.027509E+02 WEIGHT= 7.153400D-01 (p-p) +EVDWPP= -2.455926E+01 WEIGHT= 1.137100D-01 (p-p VDW) +ESTR= 0.000000E+00 WEIGHT= 1.000000D+00 (stretching) +EBE= -3.814060E+01 WEIGHT= 1.138730D+00 (bending) +ESC= 4.212917E+01 WEIGHT= 1.625800D-01 (SC local) +ETORS= 9.723785E+00 WEIGHT= 1.985990D+00 (torsional) +ETORSD= 7.231567E-01 WEIGHT= 1.570690D+00 (double torsional) +EHBP= 0.000000E+00 WEIGHT= 1.000000D+00 (SS bridges & dist. cnstr.) +ECORR4= -7.718280E+01 WEIGHT= 4.288700D-01 (multi-body) +ECORR5= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body) +ECORR6= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body) +EELLO= -3.711008E+00 WEIGHT= 1.603600D-01 (electrostatic-local) +ETURN3= 1.815614E+01 WEIGHT= 1.687220D+00 (turns, 3rd order) +ETURN4= -2.950019E+00 WEIGHT= 6.623000D-01 (turns, 4th order) +ETURN6= 0.000000E+00 WEIGHT= 0.000000D+00 (turns, 6th order) +ESCCOR= 0.000000E+00 WEIGHT= 0.000000D+00 (backbone-rotamer corr) +EDIHC= 0.000000E+00 (dihedral angle constraints) +ESS= 0.000000E+00 (disulfide-bridge intrinsic energy) +UCONST= 0.000000E+00 (Constraint energy) +EDFAD= 2.377498-315 (DFA distance energy) +EDFAT= 6.953299-310 (DFA torsion energy) +EDFAN= 1.976263-323 (DFA NCa energy) +EDFAB= 8.487983-314 (DFA Beta energy) +ETOT= -8.754542E+01 (total) +RMS deviation from the reference structure: 3.198 + % of native contacts: 50.000 + % of nonnative contacts: 70.000 + contact order: 0.327 + TM-score with the reference structure: 0.29 +Conformation # 45 + +Virtual-chain energies: + +EVDW= -5.021896E+01 WEIGHT= 1.352790D+00 (SC-SC) +EVDW2= 5.322490E+01 WEIGHT= 1.593040D+00 (SC-p) +EES= -1.169028E+02 WEIGHT= 7.153400D-01 (p-p) +EVDWPP= -1.021001E+01 WEIGHT= 1.137100D-01 (p-p VDW) +ESTR= 0.000000E+00 WEIGHT= 1.000000D+00 (stretching) +EBE= -4.196051E+01 WEIGHT= 1.138730D+00 (bending) +ESC= 3.899833E+01 WEIGHT= 1.625800D-01 (SC local) +ETORS= 1.364607E+01 WEIGHT= 1.985990D+00 (torsional) +ETORSD= -4.347282E-01 WEIGHT= 1.570690D+00 (double torsional) +EHBP= 0.000000E+00 WEIGHT= 1.000000D+00 (SS bridges & dist. cnstr.) +ECORR4= -8.405309E+01 WEIGHT= 4.288700D-01 (multi-body) +ECORR5= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body) +ECORR6= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body) +EELLO= -1.593230E+00 WEIGHT= 1.603600D-01 (electrostatic-local) +ETURN3= 2.015377E+01 WEIGHT= 1.687220D+00 (turns, 3rd order) +ETURN4= -6.595314E-01 WEIGHT= 6.623000D-01 (turns, 4th order) +ETURN6= 0.000000E+00 WEIGHT= 0.000000D+00 (turns, 6th order) +ESCCOR= 0.000000E+00 WEIGHT= 0.000000D+00 (backbone-rotamer corr) +EDIHC= 0.000000E+00 (dihedral angle constraints) +ESS= 0.000000E+00 (disulfide-bridge intrinsic energy) +UCONST= 0.000000E+00 (Constraint energy) +EDFAD= 2.377498-315 (DFA distance energy) +EDFAT= 6.953299-310 (DFA torsion energy) +EDFAN= 1.976263-323 (DFA NCa energy) +EDFAB= 8.487983-314 (DFA Beta energy) +ETOT= -8.569208E+01 (total) +RMS deviation from the reference structure: 3.041 + % of native contacts: 41.667 + % of nonnative contacts: 72.222 + contact order: 0.293 + TM-score with the reference structure: 0.30 +Conformation # 46 + +Virtual-chain energies: + +EVDW= -5.154762E+01 WEIGHT= 1.352790D+00 (SC-SC) +EVDW2= 4.191999E+01 WEIGHT= 1.593040D+00 (SC-p) +EES= -8.798879E+01 WEIGHT= 7.153400D-01 (p-p) +EVDWPP= -1.459411E+01 WEIGHT= 1.137100D-01 (p-p VDW) +ESTR= 0.000000E+00 WEIGHT= 1.000000D+00 (stretching) +EBE= -3.902122E+01 WEIGHT= 1.138730D+00 (bending) +ESC= 3.864178E+01 WEIGHT= 1.625800D-01 (SC local) +ETORS= 7.698013E+00 WEIGHT= 1.985990D+00 (torsional) +ETORSD= -1.823079E-01 WEIGHT= 1.570690D+00 (double torsional) +EHBP= 0.000000E+00 WEIGHT= 1.000000D+00 (SS bridges & dist. cnstr.) +ECORR4= -6.142350E+01 WEIGHT= 4.288700D-01 (multi-body) +ECORR5= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body) +ECORR6= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body) +EELLO= 1.636787E+00 WEIGHT= 1.603600D-01 (electrostatic-local) +ETURN3= 1.890531E+01 WEIGHT= 1.687220D+00 (turns, 3rd order) +ETURN4= -2.905668E+00 WEIGHT= 6.623000D-01 (turns, 4th order) +ETURN6= 0.000000E+00 WEIGHT= 0.000000D+00 (turns, 6th order) +ESCCOR= 0.000000E+00 WEIGHT= 0.000000D+00 (backbone-rotamer corr) +EDIHC= 0.000000E+00 (dihedral angle constraints) +ESS= 0.000000E+00 (disulfide-bridge intrinsic energy) +UCONST= 0.000000E+00 (Constraint energy) +EDFAD= 2.377498-315 (DFA distance energy) +EDFAT= 6.953299-310 (DFA torsion energy) +EDFAN= 1.976263-323 (DFA NCa energy) +EDFAB= 8.487983-314 (DFA Beta energy) +ETOT= -8.681194E+01 (total) +RMS deviation from the reference structure: 4.358 + % of native contacts: 8.333 + % of nonnative contacts: 93.333 + contact order: 0.333 + TM-score with the reference structure: 0.30 +Conformation # 47 + +Virtual-chain energies: + +EVDW= -4.992305E+01 WEIGHT= 1.352790D+00 (SC-SC) +EVDW2= 5.363913E+01 WEIGHT= 1.593040D+00 (SC-p) +EES= -1.166606E+02 WEIGHT= 7.153400D-01 (p-p) +EVDWPP= -1.666037E+01 WEIGHT= 1.137100D-01 (p-p VDW) +ESTR= 0.000000E+00 WEIGHT= 1.000000D+00 (stretching) +EBE= -4.367353E+01 WEIGHT= 1.138730D+00 (bending) +ESC= 3.147513E+01 WEIGHT= 1.625800D-01 (SC local) +ETORS= 1.198322E+01 WEIGHT= 1.985990D+00 (torsional) +ETORSD= 1.530666E+00 WEIGHT= 1.570690D+00 (double torsional) +EHBP= 0.000000E+00 WEIGHT= 1.000000D+00 (SS bridges & dist. cnstr.) +ECORR4= -8.173212E+01 WEIGHT= 4.288700D-01 (multi-body) +ECORR5= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body) +ECORR6= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body) +EELLO= -4.102450E+00 WEIGHT= 1.603600D-01 (electrostatic-local) +ETURN3= 2.027820E+01 WEIGHT= 1.687220D+00 (turns, 3rd order) +ETURN4= -6.930745E-01 WEIGHT= 6.623000D-01 (turns, 4th order) +ETURN6= 0.000000E+00 WEIGHT= 0.000000D+00 (turns, 6th order) +ESCCOR= 0.000000E+00 WEIGHT= 0.000000D+00 (backbone-rotamer corr) +EDIHC= 0.000000E+00 (dihedral angle constraints) +ESS= 0.000000E+00 (disulfide-bridge intrinsic energy) +UCONST= 0.000000E+00 (Constraint energy) +EDFAD= 2.377498-315 (DFA distance energy) +EDFAT= 6.953299-310 (DFA torsion energy) +EDFAN= 1.976263-323 (DFA NCa energy) +EDFAB= 8.487983-314 (DFA Beta energy) +ETOT= -8.780053E+01 (total) +RMS deviation from the reference structure: 3.356 + % of native contacts: 25.000 + % of nonnative contacts: 84.211 + contact order: 0.306 + TM-score with the reference structure: 0.27 +Conformation # 48 + +Virtual-chain energies: + +EVDW= -5.307911E+01 WEIGHT= 1.352790D+00 (SC-SC) +EVDW2= 4.607974E+01 WEIGHT= 1.593040D+00 (SC-p) +EES= -8.970210E+01 WEIGHT= 7.153400D-01 (p-p) +EVDWPP= -2.999372E+01 WEIGHT= 1.137100D-01 (p-p VDW) +ESTR= 0.000000E+00 WEIGHT= 1.000000D+00 (stretching) +EBE= -3.575311E+01 WEIGHT= 1.138730D+00 (bending) +ESC= 4.353290E+01 WEIGHT= 1.625800D-01 (SC local) +ETORS= 7.550872E+00 WEIGHT= 1.985990D+00 (torsional) +ETORSD= 3.550586E-01 WEIGHT= 1.570690D+00 (double torsional) +EHBP= 0.000000E+00 WEIGHT= 1.000000D+00 (SS bridges & dist. cnstr.) +ECORR4= -6.830001E+01 WEIGHT= 4.288700D-01 (multi-body) +ECORR5= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body) +ECORR6= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body) +EELLO= -4.628656E+00 WEIGHT= 1.603600D-01 (electrostatic-local) +ETURN3= 1.618282E+01 WEIGHT= 1.687220D+00 (turns, 3rd order) +ETURN4= -1.376641E+00 WEIGHT= 6.623000D-01 (turns, 4th order) +ETURN6= 0.000000E+00 WEIGHT= 0.000000D+00 (turns, 6th order) +ESCCOR= 0.000000E+00 WEIGHT= 0.000000D+00 (backbone-rotamer corr) +EDIHC= 0.000000E+00 (dihedral angle constraints) +ESS= 0.000000E+00 (disulfide-bridge intrinsic energy) +UCONST= 0.000000E+00 (Constraint energy) +EDFAD= 2.377498-315 (DFA distance energy) +EDFAT= 6.953299-310 (DFA torsion energy) +EDFAN= 1.976263-323 (DFA NCa energy) +EDFAB= 8.487983-314 (DFA Beta energy) +ETOT= -8.769988E+01 (total) +RMS deviation from the reference structure: 3.343 + % of native contacts: 66.667 + % of nonnative contacts: 63.636 + contact order: 0.289 + TM-score with the reference structure: 0.31 +Conformation # 49 + +Virtual-chain energies: + +EVDW= -5.336219E+01 WEIGHT= 1.352790D+00 (SC-SC) +EVDW2= 3.753434E+01 WEIGHT= 1.593040D+00 (SC-p) +EES= -6.708992E+01 WEIGHT= 7.153400D-01 (p-p) +EVDWPP= -2.305965E+01 WEIGHT= 1.137100D-01 (p-p VDW) +ESTR= 0.000000E+00 WEIGHT= 1.000000D+00 (stretching) +EBE= -3.616040E+01 WEIGHT= 1.138730D+00 (bending) +ESC= 4.552006E+01 WEIGHT= 1.625800D-01 (SC local) +ETORS= 7.996487E+00 WEIGHT= 1.985990D+00 (torsional) +ETORSD= -1.079296E+00 WEIGHT= 1.570690D+00 (double torsional) +EHBP= 0.000000E+00 WEIGHT= 1.000000D+00 (SS bridges & dist. cnstr.) +ECORR4= -4.616065E+01 WEIGHT= 4.288700D-01 (multi-body) +ECORR5= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body) +ECORR6= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body) +EELLO= -2.521817E+00 WEIGHT= 1.603600D-01 (electrostatic-local) +ETURN3= 1.194346E+01 WEIGHT= 1.687220D+00 (turns, 3rd order) +ETURN4= -1.693277E+00 WEIGHT= 6.623000D-01 (turns, 4th order) +ETURN6= 0.000000E+00 WEIGHT= 0.000000D+00 (turns, 6th order) +ESCCOR= 0.000000E+00 WEIGHT= 0.000000D+00 (backbone-rotamer corr) +EDIHC= 0.000000E+00 (dihedral angle constraints) +ESS= 0.000000E+00 (disulfide-bridge intrinsic energy) +UCONST= 0.000000E+00 (Constraint energy) +EDFAD= 2.377498-315 (DFA distance energy) +EDFAT= 6.953299-310 (DFA torsion energy) +EDFAN= 1.976263-323 (DFA NCa energy) +EDFAB= 8.487983-314 (DFA Beta energy) +ETOT= -8.377046E+01 (total) +RMS deviation from the reference structure: 4.936 + % of native contacts: 16.667 + % of nonnative contacts: 89.474 + contact order: 0.404 + TM-score with the reference structure: 0.25 +Conformation # 50 + +Virtual-chain energies: + +EVDW= -5.018247E+01 WEIGHT= 1.352790D+00 (SC-SC) +EVDW2= 5.688369E+01 WEIGHT= 1.593040D+00 (SC-p) +EES= -1.133676E+02 WEIGHT= 7.153400D-01 (p-p) +EVDWPP= -2.448300E+01 WEIGHT= 1.137100D-01 (p-p VDW) +ESTR= 0.000000E+00 WEIGHT= 1.000000D+00 (stretching) +EBE= -3.750686E+01 WEIGHT= 1.138730D+00 (bending) +ESC= 3.082604E+01 WEIGHT= 1.625800D-01 (SC local) +ETORS= 9.188675E+00 WEIGHT= 1.985990D+00 (torsional) +ETORSD= -2.040941E-01 WEIGHT= 1.570690D+00 (double torsional) +EHBP= 0.000000E+00 WEIGHT= 1.000000D+00 (SS bridges & dist. cnstr.) +ECORR4= -7.981067E+01 WEIGHT= 4.288700D-01 (multi-body) +ECORR5= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body) +ECORR6= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body) +EELLO= -3.948028E+00 WEIGHT= 1.603600D-01 (electrostatic-local) +ETURN3= 1.956678E+01 WEIGHT= 1.687220D+00 (turns, 3rd order) +ETURN4= -3.539272E+00 WEIGHT= 6.623000D-01 (turns, 4th order) +ETURN6= 0.000000E+00 WEIGHT= 0.000000D+00 (turns, 6th order) +ESCCOR= 0.000000E+00 WEIGHT= 0.000000D+00 (backbone-rotamer corr) +EDIHC= 0.000000E+00 (dihedral angle constraints) +ESS= 0.000000E+00 (disulfide-bridge intrinsic energy) +UCONST= 0.000000E+00 (Constraint energy) +EDFAD= 2.377498-315 (DFA distance energy) +EDFAT= 6.953299-310 (DFA torsion energy) +EDFAN= 1.976263-323 (DFA NCa energy) +EDFAB= 8.487983-314 (DFA Beta energy) +ETOT= -8.511121E+01 (total) +RMS deviation from the reference structure: 4.210 + % of native contacts: 41.667 + % of nonnative contacts: 77.273 + contact order: 0.345 + TM-score with the reference structure: 0.28 +Conformation # 51 + +Virtual-chain energies: + +EVDW= -5.201469E+01 WEIGHT= 1.352790D+00 (SC-SC) +EVDW2= 4.743843E+01 WEIGHT= 1.593040D+00 (SC-p) +EES= -8.951844E+01 WEIGHT= 7.153400D-01 (p-p) +EVDWPP= -2.956344E+01 WEIGHT= 1.137100D-01 (p-p VDW) +ESTR= 0.000000E+00 WEIGHT= 1.000000D+00 (stretching) +EBE= -4.210351E+01 WEIGHT= 1.138730D+00 (bending) +ESC= 3.136985E+01 WEIGHT= 1.625800D-01 (SC local) +ETORS= 9.460476E+00 WEIGHT= 1.985990D+00 (torsional) +ETORSD= -1.146982E+00 WEIGHT= 1.570690D+00 (double torsional) +EHBP= 0.000000E+00 WEIGHT= 1.000000D+00 (SS bridges & dist. cnstr.) +ECORR4= -6.428977E+01 WEIGHT= 4.288700D-01 (multi-body) +ECORR5= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body) +ECORR6= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body) +EELLO= -2.826327E+00 WEIGHT= 1.603600D-01 (electrostatic-local) +ETURN3= 1.725981E+01 WEIGHT= 1.687220D+00 (turns, 3rd order) +ETURN4= 1.159525E-01 WEIGHT= 6.623000D-01 (turns, 4th order) +ETURN6= 0.000000E+00 WEIGHT= 0.000000D+00 (turns, 6th order) +ESCCOR= 0.000000E+00 WEIGHT= 0.000000D+00 (backbone-rotamer corr) +EDIHC= 0.000000E+00 (dihedral angle constraints) +ESS= 0.000000E+00 (disulfide-bridge intrinsic energy) +UCONST= 0.000000E+00 (Constraint energy) +EDFAD= 2.377498-315 (DFA distance energy) +EDFAT= 6.953299-310 (DFA torsion energy) +EDFAN= 1.976263-323 (DFA NCa energy) +EDFAB= 8.487983-314 (DFA Beta energy) +ETOT= -8.687626E+01 (total) +RMS deviation from the reference structure: 4.608 + % of native contacts: 25.000 + % of nonnative contacts: 85.714 + contact order: 0.383 + TM-score with the reference structure: 0.30 +Conformation # 52 + +Virtual-chain energies: + +EVDW= -5.374316E+01 WEIGHT= 1.352790D+00 (SC-SC) +EVDW2= 3.076340E+01 WEIGHT= 1.593040D+00 (SC-p) +EES= -4.007451E+01 WEIGHT= 7.153400D-01 (p-p) +EVDWPP= -3.555473E+01 WEIGHT= 1.137100D-01 (p-p VDW) +ESTR= 0.000000E+00 WEIGHT= 1.000000D+00 (stretching) +EBE= -3.854059E+01 WEIGHT= 1.138730D+00 (bending) +ESC= 3.101141E+01 WEIGHT= 1.625800D-01 (SC local) +ETORS= 4.361887E+00 WEIGHT= 1.985990D+00 (torsional) +ETORSD= -1.136983E+00 WEIGHT= 1.570690D+00 (double torsional) +EHBP= 0.000000E+00 WEIGHT= 1.000000D+00 (SS bridges & dist. cnstr.) +ECORR4= -2.627174E+01 WEIGHT= 4.288700D-01 (multi-body) +ECORR5= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body) +ECORR6= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body) +EELLO= 1.328438E+00 WEIGHT= 1.603600D-01 (electrostatic-local) +ETURN3= 7.859129E+00 WEIGHT= 1.687220D+00 (turns, 3rd order) +ETURN4= 1.250120E-01 WEIGHT= 6.623000D-01 (turns, 4th order) +ETURN6= 0.000000E+00 WEIGHT= 0.000000D+00 (turns, 6th order) +ESCCOR= 0.000000E+00 WEIGHT= 0.000000D+00 (backbone-rotamer corr) +EDIHC= 0.000000E+00 (dihedral angle constraints) +ESS= 0.000000E+00 (disulfide-bridge intrinsic energy) +UCONST= 0.000000E+00 (Constraint energy) +EDFAD= 2.377498-315 (DFA distance energy) +EDFAT= 6.953299-310 (DFA torsion energy) +EDFAN= 1.976263-323 (DFA NCa energy) +EDFAB= 8.487983-314 (DFA Beta energy) +ETOT= -8.608564E+01 (total) +RMS deviation from the reference structure: 5.439 + % of native contacts: 33.333 + % of nonnative contacts: 76.471 + contact order: 0.377 + TM-score with the reference structure: 0.20 +Conformation # 53 + +Virtual-chain energies: + +EVDW= -5.364065E+01 WEIGHT= 1.352790D+00 (SC-SC) +EVDW2= 4.404283E+01 WEIGHT= 1.593040D+00 (SC-p) +EES= -8.760452E+01 WEIGHT= 7.153400D-01 (p-p) +EVDWPP= -1.758343E+01 WEIGHT= 1.137100D-01 (p-p VDW) +ESTR= 0.000000E+00 WEIGHT= 1.000000D+00 (stretching) +EBE= -3.738423E+01 WEIGHT= 1.138730D+00 (bending) +ESC= 4.781970E+01 WEIGHT= 1.625800D-01 (SC local) +ETORS= 8.626202E+00 WEIGHT= 1.985990D+00 (torsional) +ETORSD= -1.511420E+00 WEIGHT= 1.570690D+00 (double torsional) +EHBP= 0.000000E+00 WEIGHT= 1.000000D+00 (SS bridges & dist. cnstr.) +ECORR4= -6.329560E+01 WEIGHT= 4.288700D-01 (multi-body) +ECORR5= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body) +ECORR6= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body) +EELLO= 3.768489E+00 WEIGHT= 1.603600D-01 (electrostatic-local) +ETURN3= 1.809857E+01 WEIGHT= 1.687220D+00 (turns, 3rd order) +ETURN4= -2.887417E+00 WEIGHT= 6.623000D-01 (turns, 4th order) +ETURN6= 0.000000E+00 WEIGHT= 0.000000D+00 (turns, 6th order) +ESCCOR= 0.000000E+00 WEIGHT= 0.000000D+00 (backbone-rotamer corr) +EDIHC= 0.000000E+00 (dihedral angle constraints) +ESS= 0.000000E+00 (disulfide-bridge intrinsic energy) +UCONST= 0.000000E+00 (Constraint energy) +EDFAD= 2.377498-315 (DFA distance energy) +EDFAT= 6.953299-310 (DFA torsion energy) +EDFAN= 1.976263-323 (DFA NCa energy) +EDFAB= 8.487983-314 (DFA Beta energy) +ETOT= -8.502475E+01 (total) +RMS deviation from the reference structure: 4.868 + % of native contacts: 16.667 + % of nonnative contacts: 86.667 + contact order: 0.324 + TM-score with the reference structure: 0.29 +Conformation # 54 + +Virtual-chain energies: + +EVDW= -5.502202E+01 WEIGHT= 1.352790D+00 (SC-SC) +EVDW2= 4.995064E+01 WEIGHT= 1.593040D+00 (SC-p) +EES= -8.998449E+01 WEIGHT= 7.153400D-01 (p-p) +EVDWPP= -3.419168E+01 WEIGHT= 1.137100D-01 (p-p VDW) +ESTR= 0.000000E+00 WEIGHT= 1.000000D+00 (stretching) +EBE= -3.874727E+01 WEIGHT= 1.138730D+00 (bending) +ESC= 4.916945E+01 WEIGHT= 1.625800D-01 (SC local) +ETORS= 1.124203E+01 WEIGHT= 1.985990D+00 (torsional) +ETORSD= -3.679691E+00 WEIGHT= 1.570690D+00 (double torsional) +EHBP= 0.000000E+00 WEIGHT= 1.000000D+00 (SS bridges & dist. cnstr.) +ECORR4= -6.658060E+01 WEIGHT= 4.288700D-01 (multi-body) +ECORR5= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body) +ECORR6= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body) +EELLO= -8.262384E-01 WEIGHT= 1.603600D-01 (electrostatic-local) +ETURN3= 1.592054E+01 WEIGHT= 1.687220D+00 (turns, 3rd order) +ETURN4= 3.803167E-01 WEIGHT= 6.623000D-01 (turns, 4th order) +ETURN6= 0.000000E+00 WEIGHT= 0.000000D+00 (turns, 6th order) +ESCCOR= 0.000000E+00 WEIGHT= 0.000000D+00 (backbone-rotamer corr) +EDIHC= 0.000000E+00 (dihedral angle constraints) +ESS= 0.000000E+00 (disulfide-bridge intrinsic energy) +UCONST= 0.000000E+00 (Constraint energy) +EDFAD= 2.377498-315 (DFA distance energy) +EDFAT= 6.953299-310 (DFA torsion energy) +EDFAN= 1.976263-323 (DFA NCa energy) +EDFAB= 8.487983-314 (DFA Beta energy) +ETOT= -8.427270E+01 (total) +RMS deviation from the reference structure: 3.064 + % of native contacts: 58.333 + % of nonnative contacts: 63.158 + contact order: 0.354 + TM-score with the reference structure: 0.25 +Conformation # 55 + +Virtual-chain energies: + +EVDW= -5.453362E+01 WEIGHT= 1.352790D+00 (SC-SC) +EVDW2= 4.843808E+01 WEIGHT= 1.593040D+00 (SC-p) +EES= -8.559473E+01 WEIGHT= 7.153400D-01 (p-p) +EVDWPP= -3.665171E+01 WEIGHT= 1.137100D-01 (p-p VDW) +ESTR= 0.000000E+00 WEIGHT= 1.000000D+00 (stretching) +EBE= -3.689629E+01 WEIGHT= 1.138730D+00 (bending) +ESC= 4.339675E+01 WEIGHT= 1.625800D-01 (SC local) +ETORS= 9.460065E+00 WEIGHT= 1.985990D+00 (torsional) +ETORSD= -3.276068E+00 WEIGHT= 1.570690D+00 (double torsional) +EHBP= 0.000000E+00 WEIGHT= 1.000000D+00 (SS bridges & dist. cnstr.) +ECORR4= -6.586225E+01 WEIGHT= 4.288700D-01 (multi-body) +ECORR5= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body) +ECORR6= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body) +EELLO= -2.108888E+00 WEIGHT= 1.603600D-01 (electrostatic-local) +ETURN3= 1.468494E+01 WEIGHT= 1.687220D+00 (turns, 3rd order) +ETURN4= 2.555034E+00 WEIGHT= 6.623000D-01 (turns, 4th order) +ETURN6= 0.000000E+00 WEIGHT= 0.000000D+00 (turns, 6th order) +ESCCOR= 0.000000E+00 WEIGHT= 0.000000D+00 (backbone-rotamer corr) +EDIHC= 0.000000E+00 (dihedral angle constraints) +ESS= 0.000000E+00 (disulfide-bridge intrinsic energy) +UCONST= 0.000000E+00 (Constraint energy) +EDFAD= 2.377498-315 (DFA distance energy) +EDFAT= 6.953299-310 (DFA torsion energy) +EDFAN= 1.976263-323 (DFA NCa energy) +EDFAB= 8.487983-314 (DFA Beta energy) +ETOT= -8.543891E+01 (total) +RMS deviation from the reference structure: 3.301 + % of native contacts: 50.000 + % of nonnative contacts: 70.000 + contact order: 0.330 + TM-score with the reference structure: 0.28 +Conformation # 56 + +Virtual-chain energies: + +EVDW= -5.229871E+01 WEIGHT= 1.352790D+00 (SC-SC) +EVDW2= 4.444879E+01 WEIGHT= 1.593040D+00 (SC-p) +EES= -8.631160E+01 WEIGHT= 7.153400D-01 (p-p) +EVDWPP= -2.527822E+01 WEIGHT= 1.137100D-01 (p-p VDW) +ESTR= 0.000000E+00 WEIGHT= 1.000000D+00 (stretching) +EBE= -3.865257E+01 WEIGHT= 1.138730D+00 (bending) +ESC= 3.912593E+01 WEIGHT= 1.625800D-01 (SC local) +ETORS= 7.862726E+00 WEIGHT= 1.985990D+00 (torsional) +ETORSD= -1.200153E+00 WEIGHT= 1.570690D+00 (double torsional) +EHBP= 0.000000E+00 WEIGHT= 1.000000D+00 (SS bridges & dist. cnstr.) +ECORR4= -6.260659E+01 WEIGHT= 4.288700D-01 (multi-body) +ECORR5= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body) +ECORR6= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body) +EELLO= -1.483058E+00 WEIGHT= 1.603600D-01 (electrostatic-local) +ETURN3= 1.806337E+01 WEIGHT= 1.687220D+00 (turns, 3rd order) +ETURN4= -6.289257E-01 WEIGHT= 6.623000D-01 (turns, 4th order) +ETURN6= 0.000000E+00 WEIGHT= 0.000000D+00 (turns, 6th order) +ESCCOR= 0.000000E+00 WEIGHT= 0.000000D+00 (backbone-rotamer corr) +EDIHC= 0.000000E+00 (dihedral angle constraints) +ESS= 0.000000E+00 (disulfide-bridge intrinsic energy) +UCONST= 0.000000E+00 (Constraint energy) +EDFAD= 2.377498-315 (DFA distance energy) +EDFAT= 6.953299-310 (DFA torsion energy) +EDFAN= 1.976263-323 (DFA NCa energy) +EDFAB= 8.487983-314 (DFA Beta energy) +ETOT= -8.550809E+01 (total) +RMS deviation from the reference structure: 3.945 + % of native contacts: 41.667 + % of nonnative contacts: 76.190 + contact order: 0.338 + TM-score with the reference structure: 0.29 +Conformation # 57 + +Virtual-chain energies: + +EVDW= -5.042303E+01 WEIGHT= 1.352790D+00 (SC-SC) +EVDW2= 4.600233E+01 WEIGHT= 1.593040D+00 (SC-p) +EES= -9.490526E+01 WEIGHT= 7.153400D-01 (p-p) +EVDWPP= -2.285884E+01 WEIGHT= 1.137100D-01 (p-p VDW) +ESTR= 0.000000E+00 WEIGHT= 1.000000D+00 (stretching) +EBE= -3.988332E+01 WEIGHT= 1.138730D+00 (bending) +ESC= 2.607804E+01 WEIGHT= 1.625800D-01 (SC local) +ETORS= 1.210209E+01 WEIGHT= 1.985990D+00 (torsional) +ETORSD= -1.324361E+00 WEIGHT= 1.570690D+00 (double torsional) +EHBP= 0.000000E+00 WEIGHT= 1.000000D+00 (SS bridges & dist. cnstr.) +ECORR4= -6.755728E+01 WEIGHT= 4.288700D-01 (multi-body) +ECORR5= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body) +ECORR6= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body) +EELLO= -1.722898E+00 WEIGHT= 1.603600D-01 (electrostatic-local) +ETURN3= 1.653233E+01 WEIGHT= 1.687220D+00 (turns, 3rd order) +ETURN4= 1.184772E+00 WEIGHT= 6.623000D-01 (turns, 4th order) +ETURN6= 0.000000E+00 WEIGHT= 0.000000D+00 (turns, 6th order) +ESCCOR= 0.000000E+00 WEIGHT= 0.000000D+00 (backbone-rotamer corr) +EDIHC= 0.000000E+00 (dihedral angle constraints) +ESS= 0.000000E+00 (disulfide-bridge intrinsic energy) +UCONST= 0.000000E+00 (Constraint energy) +EDFAD= 2.377498-315 (DFA distance energy) +EDFAT= 6.953299-310 (DFA torsion energy) +EDFAN= 1.976263-323 (DFA NCa energy) +EDFAB= 8.487983-314 (DFA Beta energy) +ETOT= -8.521035E+01 (total) +RMS deviation from the reference structure: 3.790 + % of native contacts: 33.333 + % of nonnative contacts: 80.000 + contact order: 0.366 + TM-score with the reference structure: 0.26 +Conformation # 58 + +Virtual-chain energies: + +EVDW= -5.186453E+01 WEIGHT= 1.352790D+00 (SC-SC) +EVDW2= 3.806972E+01 WEIGHT= 1.593040D+00 (SC-p) +EES= -7.111239E+01 WEIGHT= 7.153400D-01 (p-p) +EVDWPP= -2.421347E+01 WEIGHT= 1.137100D-01 (p-p VDW) +ESTR= 0.000000E+00 WEIGHT= 1.000000D+00 (stretching) +EBE= -3.603432E+01 WEIGHT= 1.138730D+00 (bending) +ESC= 4.266947E+01 WEIGHT= 1.625800D-01 (SC local) +ETORS= 7.396729E+00 WEIGHT= 1.985990D+00 (torsional) +ETORSD= -2.708249E+00 WEIGHT= 1.570690D+00 (double torsional) +EHBP= 0.000000E+00 WEIGHT= 1.000000D+00 (SS bridges & dist. cnstr.) +ECORR4= -5.376431E+01 WEIGHT= 4.288700D-01 (multi-body) +ECORR5= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body) +ECORR6= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body) +EELLO= 5.516229E-01 WEIGHT= 1.603600D-01 (electrostatic-local) +ETURN3= 1.505928E+01 WEIGHT= 1.687220D+00 (turns, 3rd order) +ETURN4= 9.363701E-02 WEIGHT= 6.623000D-01 (turns, 4th order) +ETURN6= 0.000000E+00 WEIGHT= 0.000000D+00 (turns, 6th order) +ESCCOR= 0.000000E+00 WEIGHT= 0.000000D+00 (backbone-rotamer corr) +EDIHC= 0.000000E+00 (dihedral angle constraints) +ESS= 0.000000E+00 (disulfide-bridge intrinsic energy) +UCONST= 0.000000E+00 (Constraint energy) +EDFAD= 2.377498-315 (DFA distance energy) +EDFAT= 6.953299-310 (DFA torsion energy) +EDFAN= 1.976263-323 (DFA NCa energy) +EDFAB= 8.487983-314 (DFA Beta energy) +ETOT= -8.429733E+01 (total) +RMS deviation from the reference structure: 4.907 + % of native contacts: 33.333 + % of nonnative contacts: 77.778 + contact order: 0.399 + TM-score with the reference structure: 0.29 +Conformation # 59 + +Virtual-chain energies: + +EVDW= -5.179107E+01 WEIGHT= 1.352790D+00 (SC-SC) +EVDW2= 4.629459E+01 WEIGHT= 1.593040D+00 (SC-p) +EES= -8.841908E+01 WEIGHT= 7.153400D-01 (p-p) +EVDWPP= -3.028386E+01 WEIGHT= 1.137100D-01 (p-p VDW) +ESTR= 0.000000E+00 WEIGHT= 1.000000D+00 (stretching) +EBE= -3.740850E+01 WEIGHT= 1.138730D+00 (bending) +ESC= 4.534206E+01 WEIGHT= 1.625800D-01 (SC local) +ETORS= 7.102462E+00 WEIGHT= 1.985990D+00 (torsional) +ETORSD= 4.089830E-01 WEIGHT= 1.570690D+00 (double torsional) +EHBP= 0.000000E+00 WEIGHT= 1.000000D+00 (SS bridges & dist. cnstr.) +ECORR4= -6.720390E+01 WEIGHT= 4.288700D-01 (multi-body) +ECORR5= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body) +ECORR6= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body) +EELLO= -3.760697E+00 WEIGHT= 1.603600D-01 (electrostatic-local) +ETURN3= 1.538744E+01 WEIGHT= 1.687220D+00 (turns, 3rd order) +ETURN4= -1.996453E+00 WEIGHT= 6.623000D-01 (turns, 4th order) +ETURN6= 0.000000E+00 WEIGHT= 0.000000D+00 (turns, 6th order) +ESCCOR= 0.000000E+00 WEIGHT= 0.000000D+00 (backbone-rotamer corr) +EDIHC= 0.000000E+00 (dihedral angle constraints) +ESS= 0.000000E+00 (disulfide-bridge intrinsic energy) +UCONST= 0.000000E+00 (Constraint energy) +EDFAD= 2.377498-315 (DFA distance energy) +EDFAT= 6.953299-310 (DFA torsion energy) +EDFAN= 1.976263-323 (DFA NCa energy) +EDFAB= 8.487983-314 (DFA Beta energy) +ETOT= -8.827031E+01 (total) +RMS deviation from the reference structure: 3.170 + % of native contacts: 66.667 + % of nonnative contacts: 61.905 + contact order: 0.271 + TM-score with the reference structure: 0.30 +Conformation # 60 + +Virtual-chain energies: + +EVDW= -5.630790E+01 WEIGHT= 1.352790D+00 (SC-SC) +EVDW2= 4.878917E+01 WEIGHT= 1.593040D+00 (SC-p) +EES= -9.755210E+01 WEIGHT= 7.153400D-01 (p-p) +EVDWPP= -2.151794E+01 WEIGHT= 1.137100D-01 (p-p VDW) +ESTR= 0.000000E+00 WEIGHT= 1.000000D+00 (stretching) +EBE= -4.046870E+01 WEIGHT= 1.138730D+00 (bending) +ESC= 4.958358E+01 WEIGHT= 1.625800D-01 (SC local) +ETORS= 1.221616E+01 WEIGHT= 1.985990D+00 (torsional) +ETORSD= -2.113419E+00 WEIGHT= 1.570690D+00 (double torsional) +EHBP= 0.000000E+00 WEIGHT= 1.000000D+00 (SS bridges & dist. cnstr.) +ECORR4= -7.225610E+01 WEIGHT= 4.288700D-01 (multi-body) +ECORR5= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body) +ECORR6= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body) +EELLO= -3.707729E+00 WEIGHT= 1.603600D-01 (electrostatic-local) +ETURN3= 1.932456E+01 WEIGHT= 1.687220D+00 (turns, 3rd order) +ETURN4= -7.543101E-01 WEIGHT= 6.623000D-01 (turns, 4th order) +ETURN6= 0.000000E+00 WEIGHT= 0.000000D+00 (turns, 6th order) +ESCCOR= 0.000000E+00 WEIGHT= 0.000000D+00 (backbone-rotamer corr) +EDIHC= 0.000000E+00 (dihedral angle constraints) +ESS= 0.000000E+00 (disulfide-bridge intrinsic energy) +UCONST= 0.000000E+00 (Constraint energy) +EDFAD= 2.377498-315 (DFA distance energy) +EDFAT= 6.953299-310 (DFA torsion energy) +EDFAN= 1.976263-323 (DFA NCa energy) +EDFAB= 8.487983-314 (DFA Beta energy) +ETOT= -8.723719E+01 (total) +RMS deviation from the reference structure: 3.298 + % of native contacts: 25.000 + % of nonnative contacts: 82.353 + contact order: 0.353 + TM-score with the reference structure: 0.30 +Conformation # 61 + +Virtual-chain energies: + +EVDW= -5.317756E+01 WEIGHT= 1.352790D+00 (SC-SC) +EVDW2= 4.529983E+01 WEIGHT= 1.593040D+00 (SC-p) +EES= -9.070001E+01 WEIGHT= 7.153400D-01 (p-p) +EVDWPP= -1.923022E+01 WEIGHT= 1.137100D-01 (p-p VDW) +ESTR= 0.000000E+00 WEIGHT= 1.000000D+00 (stretching) +EBE= -4.062870E+01 WEIGHT= 1.138730D+00 (bending) +ESC= 4.442334E+01 WEIGHT= 1.625800D-01 (SC local) +ETORS= 9.530748E+00 WEIGHT= 1.985990D+00 (torsional) +ETORSD= -8.878449E-01 WEIGHT= 1.570690D+00 (double torsional) +EHBP= 0.000000E+00 WEIGHT= 1.000000D+00 (SS bridges & dist. cnstr.) +ECORR4= -6.241852E+01 WEIGHT= 4.288700D-01 (multi-body) +ECORR5= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body) +ECORR6= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body) +EELLO= 2.760944E+00 WEIGHT= 1.603600D-01 (electrostatic-local) +ETURN3= 1.832901E+01 WEIGHT= 1.687220D+00 (turns, 3rd order) +ETURN4= -3.414640E+00 WEIGHT= 6.623000D-01 (turns, 4th order) +ETURN6= 0.000000E+00 WEIGHT= 0.000000D+00 (turns, 6th order) +ESCCOR= 0.000000E+00 WEIGHT= 0.000000D+00 (backbone-rotamer corr) +EDIHC= 0.000000E+00 (dihedral angle constraints) +ESS= 0.000000E+00 (disulfide-bridge intrinsic energy) +UCONST= 0.000000E+00 (Constraint energy) +EDFAD= 2.377498-315 (DFA distance energy) +EDFAT= 6.953299-310 (DFA torsion energy) +EDFAN= 1.976263-323 (DFA NCa energy) +EDFAB= 8.487983-314 (DFA Beta energy) +ETOT= -8.601411E+01 (total) +RMS deviation from the reference structure: 4.202 + % of native contacts: 8.333 + % of nonnative contacts: 94.737 + contact order: 0.333 + TM-score with the reference structure: 0.29 +Conformation # 62 + +Virtual-chain energies: + +EVDW= -5.057237E+01 WEIGHT= 1.352790D+00 (SC-SC) +EVDW2= 4.074535E+01 WEIGHT= 1.593040D+00 (SC-p) +EES= -8.577390E+01 WEIGHT= 7.153400D-01 (p-p) +EVDWPP= -1.142548E+01 WEIGHT= 1.137100D-01 (p-p VDW) +ESTR= 0.000000E+00 WEIGHT= 1.000000D+00 (stretching) +EBE= -3.529790E+01 WEIGHT= 1.138730D+00 (bending) +ESC= 3.136736E+01 WEIGHT= 1.625800D-01 (SC local) +ETORS= 8.107184E+00 WEIGHT= 1.985990D+00 (torsional) +ETORSD= -3.709245E-01 WEIGHT= 1.570690D+00 (double torsional) +EHBP= 0.000000E+00 WEIGHT= 1.000000D+00 (SS bridges & dist. cnstr.) +ECORR4= -5.984015E+01 WEIGHT= 4.288700D-01 (multi-body) +ECORR5= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body) +ECORR6= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body) +EELLO= 3.689663E+00 WEIGHT= 1.603600D-01 (electrostatic-local) +ETURN3= 1.699508E+01 WEIGHT= 1.687220D+00 (turns, 3rd order) +ETURN4= -3.680948E+00 WEIGHT= 6.623000D-01 (turns, 4th order) +ETURN6= 0.000000E+00 WEIGHT= 0.000000D+00 (turns, 6th order) +ESCCOR= 0.000000E+00 WEIGHT= 0.000000D+00 (backbone-rotamer corr) +EDIHC= 0.000000E+00 (dihedral angle constraints) +ESS= 0.000000E+00 (disulfide-bridge intrinsic energy) +UCONST= 0.000000E+00 (Constraint energy) +EDFAD= 2.377498-315 (DFA distance energy) +EDFAT= 6.953299-310 (DFA torsion energy) +EDFAN= 1.976263-323 (DFA NCa energy) +EDFAB= 8.487983-314 (DFA Beta energy) +ETOT= -8.457383E+01 (total) +RMS deviation from the reference structure: 4.729 + % of native contacts: 16.667 + % of nonnative contacts: 87.500 + contact order: 0.398 + TM-score with the reference structure: 0.31 +Conformation # 63 + +Virtual-chain energies: + +EVDW= -4.837741E+01 WEIGHT= 1.352790D+00 (SC-SC) +EVDW2= 5.329928E+01 WEIGHT= 1.593040D+00 (SC-p) +EES= -1.157005E+02 WEIGHT= 7.153400D-01 (p-p) +EVDWPP= -1.742429E+01 WEIGHT= 1.137100D-01 (p-p VDW) +ESTR= 0.000000E+00 WEIGHT= 1.000000D+00 (stretching) +EBE= -4.220745E+01 WEIGHT= 1.138730D+00 (bending) +ESC= 3.579589E+01 WEIGHT= 1.625800D-01 (SC local) +ETORS= 1.225300E+01 WEIGHT= 1.985990D+00 (torsional) +ETORSD= 4.161691E-01 WEIGHT= 1.570690D+00 (double torsional) +EHBP= 0.000000E+00 WEIGHT= 1.000000D+00 (SS bridges & dist. cnstr.) +ECORR4= -8.226211E+01 WEIGHT= 4.288700D-01 (multi-body) +ECORR5= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body) +ECORR6= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body) +EELLO= -1.076013E+01 WEIGHT= 1.603600D-01 (electrostatic-local) +ETURN3= 1.969768E+01 WEIGHT= 1.687220D+00 (turns, 3rd order) +ETURN4= 9.543553E-01 WEIGHT= 6.623000D-01 (turns, 4th order) +ETURN6= 0.000000E+00 WEIGHT= 0.000000D+00 (turns, 6th order) +ESCCOR= 0.000000E+00 WEIGHT= 0.000000D+00 (backbone-rotamer corr) +EDIHC= 0.000000E+00 (dihedral angle constraints) +ESS= 0.000000E+00 (disulfide-bridge intrinsic energy) +UCONST= 0.000000E+00 (Constraint energy) +EDFAD= 2.377498-315 (DFA distance energy) +EDFAT= 6.953299-310 (DFA torsion energy) +EDFAN= 1.976263-323 (DFA NCa energy) +EDFAB= 8.487983-314 (DFA Beta energy) +ETOT= -8.567715E+01 (total) +RMS deviation from the reference structure: 3.886 + % of native contacts: 50.000 + % of nonnative contacts: 71.429 + contact order: 0.323 + TM-score with the reference structure: 0.32 +Conformation # 64 + +Virtual-chain energies: + +EVDW= -5.295559E+01 WEIGHT= 1.352790D+00 (SC-SC) +EVDW2= 4.795902E+01 WEIGHT= 1.593040D+00 (SC-p) +EES= -9.040934E+01 WEIGHT= 7.153400D-01 (p-p) +EVDWPP= -3.132610E+01 WEIGHT= 1.137100D-01 (p-p VDW) +ESTR= 0.000000E+00 WEIGHT= 1.000000D+00 (stretching) +EBE= -3.699484E+01 WEIGHT= 1.138730D+00 (bending) +ESC= 5.102129E+01 WEIGHT= 1.625800D-01 (SC local) +ETORS= 7.902699E+00 WEIGHT= 1.985990D+00 (torsional) +ETORSD= 7.790697E-02 WEIGHT= 1.570690D+00 (double torsional) +EHBP= 0.000000E+00 WEIGHT= 1.000000D+00 (SS bridges & dist. cnstr.) +ECORR4= -6.708740E+01 WEIGHT= 4.288700D-01 (multi-body) +ECORR5= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body) +ECORR6= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body) +EELLO= -6.280741E+00 WEIGHT= 1.603600D-01 (electrostatic-local) +ETURN3= 1.656312E+01 WEIGHT= 1.687220D+00 (turns, 3rd order) +ETURN4= -2.938430E+00 WEIGHT= 6.623000D-01 (turns, 4th order) +ETURN6= 0.000000E+00 WEIGHT= 0.000000D+00 (turns, 6th order) +ESCCOR= 0.000000E+00 WEIGHT= 0.000000D+00 (backbone-rotamer corr) +EDIHC= 0.000000E+00 (dihedral angle constraints) +ESS= 0.000000E+00 (disulfide-bridge intrinsic energy) +UCONST= 0.000000E+00 (Constraint energy) +EDFAD= 2.377498-315 (DFA distance energy) +EDFAT= 6.953299-310 (DFA torsion energy) +EDFAN= 1.976263-323 (DFA NCa energy) +EDFAB= 8.487983-314 (DFA Beta energy) +ETOT= -8.526715E+01 (total) +RMS deviation from the reference structure: 3.284 + % of native contacts: 50.000 + % of nonnative contacts: 72.727 + contact order: 0.351 + TM-score with the reference structure: 0.30 +Conformation # 65 + +Virtual-chain energies: + +EVDW= -5.186847E+01 WEIGHT= 1.352790D+00 (SC-SC) +EVDW2= 3.687274E+01 WEIGHT= 1.593040D+00 (SC-p) +EES= -6.703382E+01 WEIGHT= 7.153400D-01 (p-p) +EVDWPP= -2.641375E+01 WEIGHT= 1.137100D-01 (p-p VDW) +ESTR= 0.000000E+00 WEIGHT= 1.000000D+00 (stretching) +EBE= -4.036413E+01 WEIGHT= 1.138730D+00 (bending) +ESC= 3.676550E+01 WEIGHT= 1.625800D-01 (SC local) +ETORS= 9.012942E+00 WEIGHT= 1.985990D+00 (torsional) +ETORSD= -2.382656E+00 WEIGHT= 1.570690D+00 (double torsional) +EHBP= 0.000000E+00 WEIGHT= 1.000000D+00 (SS bridges & dist. cnstr.) +ECORR4= -4.979194E+01 WEIGHT= 4.288700D-01 (multi-body) +ECORR5= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body) +ECORR6= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body) +EELLO= 5.277539E-01 WEIGHT= 1.603600D-01 (electrostatic-local) +ETURN3= 1.436494E+01 WEIGHT= 1.687220D+00 (turns, 3rd order) +ETURN4= 4.574262E-01 WEIGHT= 6.623000D-01 (turns, 4th order) +ETURN6= 0.000000E+00 WEIGHT= 0.000000D+00 (turns, 6th order) +ESCCOR= 0.000000E+00 WEIGHT= 0.000000D+00 (backbone-rotamer corr) +EDIHC= 0.000000E+00 (dihedral angle constraints) +ESS= 0.000000E+00 (disulfide-bridge intrinsic energy) +UCONST= 0.000000E+00 (Constraint energy) +EDFAD= 2.377498-315 (DFA distance energy) +EDFAT= 6.953299-310 (DFA torsion energy) +EDFAN= 1.976263-323 (DFA NCa energy) +EDFAB= 8.487983-314 (DFA Beta energy) +ETOT= -8.494206E+01 (total) +RMS deviation from the reference structure: 5.112 + % of native contacts: 33.333 + % of nonnative contacts: 78.947 + contact order: 0.361 + TM-score with the reference structure: 0.28 +Conformation # 66 + +Virtual-chain energies: + +EVDW= -5.558888E+01 WEIGHT= 1.352790D+00 (SC-SC) +EVDW2= 4.099598E+01 WEIGHT= 1.593040D+00 (SC-p) +EES= -7.264055E+01 WEIGHT= 7.153400D-01 (p-p) +EVDWPP= -2.872017E+01 WEIGHT= 1.137100D-01 (p-p VDW) +ESTR= 0.000000E+00 WEIGHT= 1.000000D+00 (stretching) +EBE= -3.983443E+01 WEIGHT= 1.138730D+00 (bending) +ESC= 4.878862E+01 WEIGHT= 1.625800D-01 (SC local) +ETORS= 1.077198E+01 WEIGHT= 1.985990D+00 (torsional) +ETORSD= -2.090095E-01 WEIGHT= 1.570690D+00 (double torsional) +EHBP= 0.000000E+00 WEIGHT= 1.000000D+00 (SS bridges & dist. cnstr.) +ECORR4= -4.736768E+01 WEIGHT= 4.288700D-01 (multi-body) +ECORR5= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body) +ECORR6= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body) +EELLO= 3.065685E+00 WEIGHT= 1.603600D-01 (electrostatic-local) +ETURN3= 1.303602E+01 WEIGHT= 1.687220D+00 (turns, 3rd order) +ETURN4= -7.783140E+00 WEIGHT= 6.623000D-01 (turns, 4th order) +ETURN6= 0.000000E+00 WEIGHT= 0.000000D+00 (turns, 6th order) +ESCCOR= 0.000000E+00 WEIGHT= 0.000000D+00 (backbone-rotamer corr) +EDIHC= 0.000000E+00 (dihedral angle constraints) +ESS= 0.000000E+00 (disulfide-bridge intrinsic energy) +UCONST= 0.000000E+00 (Constraint energy) +EDFAD= 2.377498-315 (DFA distance energy) +EDFAT= 6.953299-310 (DFA torsion energy) +EDFAN= 1.976263-323 (DFA NCa energy) +EDFAB= 8.487983-314 (DFA Beta energy) +ETOT= -8.446726E+01 (total) +RMS deviation from the reference structure: 4.248 + % of native contacts: 25.000 + % of nonnative contacts: 80.000 + contact order: 0.355 + TM-score with the reference structure: 0.26 +Conformation # 67 + +Virtual-chain energies: + +EVDW= -5.455207E+01 WEIGHT= 1.352790D+00 (SC-SC) +EVDW2= 5.220134E+01 WEIGHT= 1.593040D+00 (SC-p) +EES= -1.050987E+02 WEIGHT= 7.153400D-01 (p-p) +EVDWPP= -2.380943E+01 WEIGHT= 1.137100D-01 (p-p VDW) +ESTR= 0.000000E+00 WEIGHT= 1.000000D+00 (stretching) +EBE= -3.878486E+01 WEIGHT= 1.138730D+00 (bending) +ESC= 4.519653E+01 WEIGHT= 1.625800D-01 (SC local) +ETORS= 9.338436E+00 WEIGHT= 1.985990D+00 (torsional) +ETORSD= 3.080589E-01 WEIGHT= 1.570690D+00 (double torsional) +EHBP= 0.000000E+00 WEIGHT= 1.000000D+00 (SS bridges & dist. cnstr.) +ECORR4= -7.962783E+01 WEIGHT= 4.288700D-01 (multi-body) +ECORR5= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body) +ECORR6= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body) +EELLO= -5.480125E+00 WEIGHT= 1.603600D-01 (electrostatic-local) +ETURN3= 1.881507E+01 WEIGHT= 1.687220D+00 (turns, 3rd order) +ETURN4= -2.179747E+00 WEIGHT= 6.623000D-01 (turns, 4th order) +ETURN6= 0.000000E+00 WEIGHT= 0.000000D+00 (turns, 6th order) +ESCCOR= 0.000000E+00 WEIGHT= 0.000000D+00 (backbone-rotamer corr) +EDIHC= 0.000000E+00 (dihedral angle constraints) +ESS= 0.000000E+00 (disulfide-bridge intrinsic energy) +UCONST= 0.000000E+00 (Constraint energy) +EDFAD= 2.377498-315 (DFA distance energy) +EDFAT= 6.953299-310 (DFA torsion energy) +EDFAN= 1.976263-323 (DFA NCa energy) +EDFAB= 8.487983-314 (DFA Beta energy) +ETOT= -9.104212E+01 (total) +RMS deviation from the reference structure: 3.058 + % of native contacts: 58.333 + % of nonnative contacts: 68.182 + contact order: 0.279 + TM-score with the reference structure: 0.30 +Conformation # 68 + +Virtual-chain energies: + +EVDW= -5.185106E+01 WEIGHT= 1.352790D+00 (SC-SC) +EVDW2= 4.306848E+01 WEIGHT= 1.593040D+00 (SC-p) +EES= -7.142105E+01 WEIGHT= 7.153400D-01 (p-p) +EVDWPP= -4.068654E+01 WEIGHT= 1.137100D-01 (p-p VDW) +ESTR= 0.000000E+00 WEIGHT= 1.000000D+00 (stretching) +EBE= -3.737420E+01 WEIGHT= 1.138730D+00 (bending) +ESC= 3.910587E+01 WEIGHT= 1.625800D-01 (SC local) +ETORS= 7.209249E+00 WEIGHT= 1.985990D+00 (torsional) +ETORSD= -1.672532E+00 WEIGHT= 1.570690D+00 (double torsional) +EHBP= 0.000000E+00 WEIGHT= 1.000000D+00 (SS bridges & dist. cnstr.) +ECORR4= -5.440923E+01 WEIGHT= 4.288700D-01 (multi-body) +ECORR5= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body) +ECORR6= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body) +EELLO= -2.261502E+00 WEIGHT= 1.603600D-01 (electrostatic-local) +ETURN3= 1.274200E+01 WEIGHT= 1.687220D+00 (turns, 3rd order) +ETURN4= 4.336507E-01 WEIGHT= 6.623000D-01 (turns, 4th order) +ETURN6= 0.000000E+00 WEIGHT= 0.000000D+00 (turns, 6th order) +ESCCOR= 0.000000E+00 WEIGHT= 0.000000D+00 (backbone-rotamer corr) +EDIHC= 0.000000E+00 (dihedral angle constraints) +ESS= 0.000000E+00 (disulfide-bridge intrinsic energy) +UCONST= 0.000000E+00 (Constraint energy) +EDFAD= 2.377498-315 (DFA distance energy) +EDFAT= 6.953299-310 (DFA torsion energy) +EDFAN= 1.976263-323 (DFA NCa energy) +EDFAB= 8.487983-314 (DFA Beta energy) +ETOT= -8.367278E+01 (total) +RMS deviation from the reference structure: 3.393 + % of native contacts: 41.667 + % of nonnative contacts: 78.261 + contact order: 0.403 + TM-score with the reference structure: 0.25 +Conformation # 69 + +Virtual-chain energies: + +EVDW= -4.920316E+01 WEIGHT= 1.352790D+00 (SC-SC) +EVDW2= 3.643182E+01 WEIGHT= 1.593040D+00 (SC-p) +EES= -6.548382E+01 WEIGHT= 7.153400D-01 (p-p) +EVDWPP= -2.941736E+01 WEIGHT= 1.137100D-01 (p-p VDW) +ESTR= 0.000000E+00 WEIGHT= 1.000000D+00 (stretching) +EBE= -3.939066E+01 WEIGHT= 1.138730D+00 (bending) +ESC= 3.485384E+01 WEIGHT= 1.625800D-01 (SC local) +ETORS= 5.975186E+00 WEIGHT= 1.985990D+00 (torsional) +ETORSD= -2.133724E+00 WEIGHT= 1.570690D+00 (double torsional) +EHBP= 0.000000E+00 WEIGHT= 1.000000D+00 (SS bridges & dist. cnstr.) +ECORR4= -4.566452E+01 WEIGHT= 4.288700D-01 (multi-body) +ECORR5= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body) +ECORR6= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body) +EELLO= 1.733705E+00 WEIGHT= 1.603600D-01 (electrostatic-local) +ETURN3= 1.409396E+01 WEIGHT= 1.687220D+00 (turns, 3rd order) +ETURN4= 1.713674E+00 WEIGHT= 6.623000D-01 (turns, 4th order) +ETURN6= 0.000000E+00 WEIGHT= 0.000000D+00 (turns, 6th order) +ESCCOR= 0.000000E+00 WEIGHT= 0.000000D+00 (backbone-rotamer corr) +EDIHC= 0.000000E+00 (dihedral angle constraints) +ESS= 0.000000E+00 (disulfide-bridge intrinsic energy) +UCONST= 0.000000E+00 (Constraint energy) +EDFAD= 2.377498-315 (DFA distance energy) +EDFAT= 6.953299-310 (DFA torsion energy) +EDFAN= 1.976263-323 (DFA NCa energy) +EDFAB= 8.487983-314 (DFA Beta energy) +ETOT= -8.377753E+01 (total) +RMS deviation from the reference structure: 4.423 + % of native contacts: 25.000 + % of nonnative contacts: 83.333 + contact order: 0.394 + TM-score with the reference structure: 0.26 +Conformation # 70 + +Virtual-chain energies: + +EVDW= -4.941139E+01 WEIGHT= 1.352790D+00 (SC-SC) +EVDW2= 4.328011E+01 WEIGHT= 1.593040D+00 (SC-p) +EES= -7.974225E+01 WEIGHT= 7.153400D-01 (p-p) +EVDWPP= -3.223944E+01 WEIGHT= 1.137100D-01 (p-p VDW) +ESTR= 0.000000E+00 WEIGHT= 1.000000D+00 (stretching) +EBE= -3.907951E+01 WEIGHT= 1.138730D+00 (bending) +ESC= 3.173090E+01 WEIGHT= 1.625800D-01 (SC local) +ETORS= 1.108057E+01 WEIGHT= 1.985990D+00 (torsional) +ETORSD= -3.746038E+00 WEIGHT= 1.570690D+00 (double torsional) +EHBP= 0.000000E+00 WEIGHT= 1.000000D+00 (SS bridges & dist. cnstr.) +ECORR4= -6.063681E+01 WEIGHT= 4.288700D-01 (multi-body) +ECORR5= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body) +ECORR6= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body) +EELLO= -1.044971E+00 WEIGHT= 1.603600D-01 (electrostatic-local) +ETURN3= 1.277677E+01 WEIGHT= 1.687220D+00 (turns, 3rd order) +ETURN4= 1.361810E+00 WEIGHT= 6.623000D-01 (turns, 4th order) +ETURN6= 0.000000E+00 WEIGHT= 0.000000D+00 (turns, 6th order) +ESCCOR= 0.000000E+00 WEIGHT= 0.000000D+00 (backbone-rotamer corr) +EDIHC= 0.000000E+00 (dihedral angle constraints) +ESS= 0.000000E+00 (disulfide-bridge intrinsic energy) +UCONST= 0.000000E+00 (Constraint energy) +EDFAD= 2.377498-315 (DFA distance energy) +EDFAT= 6.953299-310 (DFA torsion energy) +EDFAN= 1.976263-323 (DFA NCa energy) +EDFAB= 8.487983-314 (DFA Beta energy) +ETOT= -8.553897E+01 (total) +RMS deviation from the reference structure: 4.457 + % of native contacts: 33.333 + % of nonnative contacts: 80.000 + contact order: 0.343 + TM-score with the reference structure: 0.32 +Conformation # 71 + +Virtual-chain energies: + +EVDW= -4.955611E+01 WEIGHT= 1.352790D+00 (SC-SC) +EVDW2= 4.930650E+01 WEIGHT= 1.593040D+00 (SC-p) +EES= -9.298890E+01 WEIGHT= 7.153400D-01 (p-p) +EVDWPP= -2.833676E+01 WEIGHT= 1.137100D-01 (p-p VDW) +ESTR= 0.000000E+00 WEIGHT= 1.000000D+00 (stretching) +EBE= -4.043403E+01 WEIGHT= 1.138730D+00 (bending) +ESC= 2.435709E+01 WEIGHT= 1.625800D-01 (SC local) +ETORS= 1.041503E+01 WEIGHT= 1.985990D+00 (torsional) +ETORSD= -2.684490E+00 WEIGHT= 1.570690D+00 (double torsional) +EHBP= 0.000000E+00 WEIGHT= 1.000000D+00 (SS bridges & dist. cnstr.) +ECORR4= -7.150136E+01 WEIGHT= 4.288700D-01 (multi-body) +ECORR5= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body) +ECORR6= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body) +EELLO= -5.720917E+00 WEIGHT= 1.603600D-01 (electrostatic-local) +ETURN3= 1.743149E+01 WEIGHT= 1.687220D+00 (turns, 3rd order) +ETURN4= 1.804284E+00 WEIGHT= 6.623000D-01 (turns, 4th order) +ETURN6= 0.000000E+00 WEIGHT= 0.000000D+00 (turns, 6th order) +ESCCOR= 0.000000E+00 WEIGHT= 0.000000D+00 (backbone-rotamer corr) +EDIHC= 0.000000E+00 (dihedral angle constraints) +ESS= 0.000000E+00 (disulfide-bridge intrinsic energy) +UCONST= 0.000000E+00 (Constraint energy) +EDFAD= 2.377498-315 (DFA distance energy) +EDFAT= 6.953299-310 (DFA torsion energy) +EDFAN= 1.976263-323 (DFA NCa energy) +EDFAB= 8.487983-314 (DFA Beta energy) +ETOT= -8.482491E+01 (total) +RMS deviation from the reference structure: 3.837 + % of native contacts: 50.000 + % of nonnative contacts: 68.421 + contact order: 0.278 + TM-score with the reference structure: 0.33 +Conformation # 72 + +Virtual-chain energies: + +EVDW= -5.202628E+01 WEIGHT= 1.352790D+00 (SC-SC) +EVDW2= 3.719430E+01 WEIGHT= 1.593040D+00 (SC-p) +EES= -6.632086E+01 WEIGHT= 7.153400D-01 (p-p) +EVDWPP= -2.983260E+01 WEIGHT= 1.137100D-01 (p-p VDW) +ESTR= 0.000000E+00 WEIGHT= 1.000000D+00 (stretching) +EBE= -3.708454E+01 WEIGHT= 1.138730D+00 (bending) +ESC= 3.442012E+01 WEIGHT= 1.625800D-01 (SC local) +ETORS= 5.991217E+00 WEIGHT= 1.985990D+00 (torsional) +ETORSD= -8.173571E-01 WEIGHT= 1.570690D+00 (double torsional) +EHBP= 0.000000E+00 WEIGHT= 1.000000D+00 (SS bridges & dist. cnstr.) +ECORR4= -4.825102E+01 WEIGHT= 4.288700D-01 (multi-body) +ECORR5= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body) +ECORR6= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body) +EELLO= -7.104581E-01 WEIGHT= 1.603600D-01 (electrostatic-local) +ETURN3= 1.436606E+01 WEIGHT= 1.687220D+00 (turns, 3rd order) +ETURN4= -1.580555E+00 WEIGHT= 6.623000D-01 (turns, 4th order) +ETURN6= 0.000000E+00 WEIGHT= 0.000000D+00 (turns, 6th order) +ESCCOR= 0.000000E+00 WEIGHT= 0.000000D+00 (backbone-rotamer corr) +EDIHC= 0.000000E+00 (dihedral angle constraints) +ESS= 0.000000E+00 (disulfide-bridge intrinsic energy) +UCONST= 0.000000E+00 (Constraint energy) +EDFAD= 2.377498-315 (DFA distance energy) +EDFAT= 6.953299-310 (DFA torsion energy) +EDFAN= 1.976263-323 (DFA NCa energy) +EDFAB= 8.487983-314 (DFA Beta energy) +ETOT= -8.559685E+01 (total) +RMS deviation from the reference structure: 4.213 + % of native contacts: 33.333 + % of nonnative contacts: 78.947 + contact order: 0.380 + TM-score with the reference structure: 0.29 +Conformation # 73 + +Virtual-chain energies: + +EVDW= -5.070466E+01 WEIGHT= 1.352790D+00 (SC-SC) +EVDW2= 3.873411E+01 WEIGHT= 1.593040D+00 (SC-p) +EES= -7.528939E+01 WEIGHT= 7.153400D-01 (p-p) +EVDWPP= -1.629328E+01 WEIGHT= 1.137100D-01 (p-p VDW) +ESTR= 0.000000E+00 WEIGHT= 1.000000D+00 (stretching) +EBE= -3.705379E+01 WEIGHT= 1.138730D+00 (bending) +ESC= 4.089252E+01 WEIGHT= 1.625800D-01 (SC local) +ETORS= 8.532794E+00 WEIGHT= 1.985990D+00 (torsional) +ETORSD= -1.191084E+00 WEIGHT= 1.570690D+00 (double torsional) +EHBP= 0.000000E+00 WEIGHT= 1.000000D+00 (SS bridges & dist. cnstr.) +ECORR4= -5.469145E+01 WEIGHT= 4.288700D-01 (multi-body) +ECORR5= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body) +ECORR6= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body) +EELLO= 3.129666E+00 WEIGHT= 1.603600D-01 (electrostatic-local) +ETURN3= 1.442440E+01 WEIGHT= 1.687220D+00 (turns, 3rd order) +ETURN4= -3.119323E+00 WEIGHT= 6.623000D-01 (turns, 4th order) +ETURN6= 0.000000E+00 WEIGHT= 0.000000D+00 (turns, 6th order) +ESCCOR= 0.000000E+00 WEIGHT= 0.000000D+00 (backbone-rotamer corr) +EDIHC= 0.000000E+00 (dihedral angle constraints) +ESS= 0.000000E+00 (disulfide-bridge intrinsic energy) +UCONST= 0.000000E+00 (Constraint energy) +EDFAD= 2.377498-315 (DFA distance energy) +EDFAT= 6.953299-310 (DFA torsion energy) +EDFAN= 1.976263-323 (DFA NCa energy) +EDFAB= 8.487983-314 (DFA Beta energy) +ETOT= -8.375117E+01 (total) +RMS deviation from the reference structure: 4.797 + % of native contacts: 25.000 + % of nonnative contacts: 83.333 + contact order: 0.449 + TM-score with the reference structure: 0.28 +Conformation # 74 + +Virtual-chain energies: + +EVDW= -5.160874E+01 WEIGHT= 1.352790D+00 (SC-SC) +EVDW2= 4.711786E+01 WEIGHT= 1.593040D+00 (SC-p) +EES= -9.601729E+01 WEIGHT= 7.153400D-01 (p-p) +EVDWPP= -2.953275E+01 WEIGHT= 1.137100D-01 (p-p VDW) +ESTR= 0.000000E+00 WEIGHT= 1.000000D+00 (stretching) +EBE= -3.820754E+01 WEIGHT= 1.138730D+00 (bending) +ESC= 4.483815E+01 WEIGHT= 1.625800D-01 (SC local) +ETORS= 8.983905E+00 WEIGHT= 1.985990D+00 (torsional) +ETORSD= 2.220137E+00 WEIGHT= 1.570690D+00 (double torsional) +EHBP= 0.000000E+00 WEIGHT= 1.000000D+00 (SS bridges & dist. cnstr.) +ECORR4= -7.176314E+01 WEIGHT= 4.288700D-01 (multi-body) +ECORR5= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body) +ECORR6= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body) +EELLO= -5.651817E+00 WEIGHT= 1.603600D-01 (electrostatic-local) +ETURN3= 1.842882E+01 WEIGHT= 1.687220D+00 (turns, 3rd order) +ETURN4= -5.270950E+00 WEIGHT= 6.623000D-01 (turns, 4th order) +ETURN6= 0.000000E+00 WEIGHT= 0.000000D+00 (turns, 6th order) +ESCCOR= 0.000000E+00 WEIGHT= 0.000000D+00 (backbone-rotamer corr) +EDIHC= 0.000000E+00 (dihedral angle constraints) +ESS= 0.000000E+00 (disulfide-bridge intrinsic energy) +UCONST= 0.000000E+00 (Constraint energy) +EDFAD= 2.377498-315 (DFA distance energy) +EDFAT= 6.953299-310 (DFA torsion energy) +EDFAN= 1.976263-323 (DFA NCa energy) +EDFAB= 8.487983-314 (DFA Beta energy) +ETOT= -8.576840E+01 (total) +RMS deviation from the reference structure: 2.441 + % of native contacts: 41.667 + % of nonnative contacts: 76.190 + contact order: 0.353 + TM-score with the reference structure: 0.36 +Conformation # 75 + +Virtual-chain energies: + +EVDW= -5.092014E+01 WEIGHT= 1.352790D+00 (SC-SC) +EVDW2= 4.785640E+01 WEIGHT= 1.593040D+00 (SC-p) +EES= -9.703879E+01 WEIGHT= 7.153400D-01 (p-p) +EVDWPP= -2.112447E+01 WEIGHT= 1.137100D-01 (p-p VDW) +ESTR= 0.000000E+00 WEIGHT= 1.000000D+00 (stretching) +EBE= -4.155324E+01 WEIGHT= 1.138730D+00 (bending) +ESC= 4.015540E+01 WEIGHT= 1.625800D-01 (SC local) +ETORS= 1.117223E+01 WEIGHT= 1.985990D+00 (torsional) +ETORSD= -2.062748E+00 WEIGHT= 1.570690D+00 (double torsional) +EHBP= 0.000000E+00 WEIGHT= 1.000000D+00 (SS bridges & dist. cnstr.) +ECORR4= -7.085797E+01 WEIGHT= 4.288700D-01 (multi-body) +ECORR5= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body) +ECORR6= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body) +EELLO= -1.861517E+00 WEIGHT= 1.603600D-01 (electrostatic-local) +ETURN3= 1.888581E+01 WEIGHT= 1.687220D+00 (turns, 3rd order) +ETURN4= -2.256565E+00 WEIGHT= 6.623000D-01 (turns, 4th order) +ETURN6= 0.000000E+00 WEIGHT= 0.000000D+00 (turns, 6th order) +ESCCOR= 0.000000E+00 WEIGHT= 0.000000D+00 (backbone-rotamer corr) +EDIHC= 0.000000E+00 (dihedral angle constraints) +ESS= 0.000000E+00 (disulfide-bridge intrinsic energy) +UCONST= 0.000000E+00 (Constraint energy) +EDFAD= 2.377498-315 (DFA distance energy) +EDFAT= 6.953299-310 (DFA torsion energy) +EDFAN= 1.976263-323 (DFA NCa energy) +EDFAB= 8.487983-314 (DFA Beta energy) +ETOT= -8.662372E+01 (total) +RMS deviation from the reference structure: 3.111 + % of native contacts: 25.000 + % of nonnative contacts: 82.353 + contact order: 0.345 + TM-score with the reference structure: 0.30 +Conformation # 76 + +Virtual-chain energies: + +EVDW= -5.101347E+01 WEIGHT= 1.352790D+00 (SC-SC) +EVDW2= 4.224981E+01 WEIGHT= 1.593040D+00 (SC-p) +EES= -8.685652E+01 WEIGHT= 7.153400D-01 (p-p) +EVDWPP= -1.518843E+01 WEIGHT= 1.137100D-01 (p-p VDW) +ESTR= 0.000000E+00 WEIGHT= 1.000000D+00 (stretching) +EBE= -3.920431E+01 WEIGHT= 1.138730D+00 (bending) +ESC= 4.612482E+01 WEIGHT= 1.625800D-01 (SC local) +ETORS= 9.240450E+00 WEIGHT= 1.985990D+00 (torsional) +ETORSD= -1.788013E+00 WEIGHT= 1.570690D+00 (double torsional) +EHBP= 0.000000E+00 WEIGHT= 1.000000D+00 (SS bridges & dist. cnstr.) +ECORR4= -6.546325E+01 WEIGHT= 4.288700D-01 (multi-body) +ECORR5= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body) +ECORR6= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body) +EELLO= -1.115863E+00 WEIGHT= 1.603600D-01 (electrostatic-local) +ETURN3= 1.800768E+01 WEIGHT= 1.687220D+00 (turns, 3rd order) +ETURN4= -3.042940E+00 WEIGHT= 6.623000D-01 (turns, 4th order) +ETURN6= 0.000000E+00 WEIGHT= 0.000000D+00 (turns, 6th order) +ESCCOR= 0.000000E+00 WEIGHT= 0.000000D+00 (backbone-rotamer corr) +EDIHC= 0.000000E+00 (dihedral angle constraints) +ESS= 0.000000E+00 (disulfide-bridge intrinsic energy) +UCONST= 0.000000E+00 (Constraint energy) +EDFAD= 2.377498-315 (DFA distance energy) +EDFAT= 6.953299-310 (DFA torsion energy) +EDFAN= 1.976263-323 (DFA NCa energy) +EDFAB= 8.487983-314 (DFA Beta energy) +ETOT= -8.705161E+01 (total) +RMS deviation from the reference structure: 5.174 + % of native contacts: 33.333 + % of nonnative contacts: 80.000 + contact order: 0.300 + TM-score with the reference structure: 0.31 +Conformation # 77 + +Virtual-chain energies: + +EVDW= -5.270216E+01 WEIGHT= 1.352790D+00 (SC-SC) +EVDW2= 5.502623E+01 WEIGHT= 1.593040D+00 (SC-p) +EES= -1.136833E+02 WEIGHT= 7.153400D-01 (p-p) +EVDWPP= -1.504464E+01 WEIGHT= 1.137100D-01 (p-p VDW) +ESTR= 0.000000E+00 WEIGHT= 1.000000D+00 (stretching) +EBE= -4.093748E+01 WEIGHT= 1.138730D+00 (bending) +ESC= 3.996069E+01 WEIGHT= 1.625800D-01 (SC local) +ETORS= 1.458980E+01 WEIGHT= 1.985990D+00 (torsional) +ETORSD= -1.929053E+00 WEIGHT= 1.570690D+00 (double torsional) +EHBP= 0.000000E+00 WEIGHT= 1.000000D+00 (SS bridges & dist. cnstr.) +ECORR4= -8.308814E+01 WEIGHT= 4.288700D-01 (multi-body) +ECORR5= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body) +ECORR6= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body) +EELLO= -1.665140E+00 WEIGHT= 1.603600D-01 (electrostatic-local) +ETURN3= 1.893186E+01 WEIGHT= 1.687220D+00 (turns, 3rd order) +ETURN4= -1.541635E-01 WEIGHT= 6.623000D-01 (turns, 4th order) +ETURN6= 0.000000E+00 WEIGHT= 0.000000D+00 (turns, 6th order) +ESCCOR= 0.000000E+00 WEIGHT= 0.000000D+00 (backbone-rotamer corr) +EDIHC= 0.000000E+00 (dihedral angle constraints) +ESS= 0.000000E+00 (disulfide-bridge intrinsic energy) +UCONST= 0.000000E+00 (Constraint energy) +EDFAD= 2.377498-315 (DFA distance energy) +EDFAT= 6.953299-310 (DFA torsion energy) +EDFAN= 1.976263-323 (DFA NCa energy) +EDFAB= 8.487983-314 (DFA Beta energy) +ETOT= -8.490450E+01 (total) +RMS deviation from the reference structure: 3.061 + % of native contacts: 58.333 + % of nonnative contacts: 69.565 + contact order: 0.370 + TM-score with the reference structure: 0.31 +Conformation # 78 + +Virtual-chain energies: + +EVDW= -5.259977E+01 WEIGHT= 1.352790D+00 (SC-SC) +EVDW2= 4.539541E+01 WEIGHT= 1.593040D+00 (SC-p) +EES= -9.293977E+01 WEIGHT= 7.153400D-01 (p-p) +EVDWPP= -2.529818E+01 WEIGHT= 1.137100D-01 (p-p VDW) +ESTR= 0.000000E+00 WEIGHT= 1.000000D+00 (stretching) +EBE= -4.174054E+01 WEIGHT= 1.138730D+00 (bending) +ESC= 4.193149E+01 WEIGHT= 1.625800D-01 (SC local) +ETORS= 1.110912E+01 WEIGHT= 1.985990D+00 (torsional) +ETORSD= -9.892790E-02 WEIGHT= 1.570690D+00 (double torsional) +EHBP= 0.000000E+00 WEIGHT= 1.000000D+00 (SS bridges & dist. cnstr.) +ECORR4= -6.362778E+01 WEIGHT= 4.288700D-01 (multi-body) +ECORR5= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body) +ECORR6= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body) +EELLO= -4.792442E+00 WEIGHT= 1.603600D-01 (electrostatic-local) +ETURN3= 1.655890E+01 WEIGHT= 1.687220D+00 (turns, 3rd order) +ETURN4= 2.323397E+00 WEIGHT= 6.623000D-01 (turns, 4th order) +ETURN6= 0.000000E+00 WEIGHT= 0.000000D+00 (turns, 6th order) +ESCCOR= 0.000000E+00 WEIGHT= 0.000000D+00 (backbone-rotamer corr) +EDIHC= 0.000000E+00 (dihedral angle constraints) +ESS= 0.000000E+00 (disulfide-bridge intrinsic energy) +UCONST= 0.000000E+00 (Constraint energy) +EDFAD= 2.377498-315 (DFA distance energy) +EDFAT= 6.953299-310 (DFA torsion energy) +EDFAN= 1.976263-323 (DFA NCa energy) +EDFAB= 8.487983-314 (DFA Beta energy) +ETOT= -8.558597E+01 (total) +RMS deviation from the reference structure: 3.729 + % of native contacts: 41.667 + % of nonnative contacts: 76.190 + contact order: 0.312 + TM-score with the reference structure: 0.27 +Conformation # 79 + +Virtual-chain energies: + +EVDW= -5.341259E+01 WEIGHT= 1.352790D+00 (SC-SC) +EVDW2= 5.243750E+01 WEIGHT= 1.593040D+00 (SC-p) +EES= -1.050400E+02 WEIGHT= 7.153400D-01 (p-p) +EVDWPP= -2.565291E+01 WEIGHT= 1.137100D-01 (p-p VDW) +ESTR= 0.000000E+00 WEIGHT= 1.000000D+00 (stretching) +EBE= -3.714976E+01 WEIGHT= 1.138730D+00 (bending) +ESC= 4.875606E+01 WEIGHT= 1.625800D-01 (SC local) +ETORS= 8.727248E+00 WEIGHT= 1.985990D+00 (torsional) +ETORSD= -4.808552E-01 WEIGHT= 1.570690D+00 (double torsional) +EHBP= 0.000000E+00 WEIGHT= 1.000000D+00 (SS bridges & dist. cnstr.) +ECORR4= -7.774907E+01 WEIGHT= 4.288700D-01 (multi-body) +ECORR5= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body) +ECORR6= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body) +EELLO= -6.233483E+00 WEIGHT= 1.603600D-01 (electrostatic-local) +ETURN3= 1.861225E+01 WEIGHT= 1.687220D+00 (turns, 3rd order) +ETURN4= -3.151986E+00 WEIGHT= 6.623000D-01 (turns, 4th order) +ETURN6= 0.000000E+00 WEIGHT= 0.000000D+00 (turns, 6th order) +ESCCOR= 0.000000E+00 WEIGHT= 0.000000D+00 (backbone-rotamer corr) +EDIHC= 0.000000E+00 (dihedral angle constraints) +ESS= 0.000000E+00 (disulfide-bridge intrinsic energy) +UCONST= 0.000000E+00 (Constraint energy) +EDFAD= 2.377498-315 (DFA distance energy) +EDFAT= 6.953299-310 (DFA torsion energy) +EDFAN= 1.976263-323 (DFA NCa energy) +EDFAB= 8.487983-314 (DFA Beta energy) +ETOT= -8.960553E+01 (total) +RMS deviation from the reference structure: 2.212 + % of native contacts: 66.667 + % of nonnative contacts: 60.000 + contact order: 0.314 + TM-score with the reference structure: 0.31 +Conformation # 80 + +Virtual-chain energies: + +EVDW= -5.034279E+01 WEIGHT= 1.352790D+00 (SC-SC) +EVDW2= 4.944940E+01 WEIGHT= 1.593040D+00 (SC-p) +EES= -1.039190E+02 WEIGHT= 7.153400D-01 (p-p) +EVDWPP= -1.890791E+01 WEIGHT= 1.137100D-01 (p-p VDW) +ESTR= 0.000000E+00 WEIGHT= 1.000000D+00 (stretching) +EBE= -4.181617E+01 WEIGHT= 1.138730D+00 (bending) +ESC= 4.984292E+01 WEIGHT= 1.625800D-01 (SC local) +ETORS= 1.106015E+01 WEIGHT= 1.985990D+00 (torsional) +ETORSD= 1.023296E+00 WEIGHT= 1.570690D+00 (double torsional) +EHBP= 0.000000E+00 WEIGHT= 1.000000D+00 (SS bridges & dist. cnstr.) +ECORR4= -7.323077E+01 WEIGHT= 4.288700D-01 (multi-body) +ECORR5= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body) +ECORR6= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body) +EELLO= -9.436839E-01 WEIGHT= 1.603600D-01 (electrostatic-local) +ETURN3= 1.777729E+01 WEIGHT= 1.687220D+00 (turns, 3rd order) +ETURN4= -3.457530E+00 WEIGHT= 6.623000D-01 (turns, 4th order) +ETURN6= 0.000000E+00 WEIGHT= 0.000000D+00 (turns, 6th order) +ESCCOR= 0.000000E+00 WEIGHT= 0.000000D+00 (backbone-rotamer corr) +EDIHC= 0.000000E+00 (dihedral angle constraints) +ESS= 0.000000E+00 (disulfide-bridge intrinsic energy) +UCONST= 0.000000E+00 (Constraint energy) +EDFAD= 2.377498-315 (DFA distance energy) +EDFAT= 6.953299-310 (DFA torsion energy) +EDFAN= 1.976263-323 (DFA NCa energy) +EDFAB= 8.487983-314 (DFA Beta energy) +ETOT= -8.561058E+01 (total) +RMS deviation from the reference structure: 4.041 + % of native contacts: 33.333 + % of nonnative contacts: 80.000 + contact order: 0.261 + TM-score with the reference structure: 0.31 +Conformation # 81 + +Virtual-chain energies: + +EVDW= -5.208551E+01 WEIGHT= 1.352790D+00 (SC-SC) +EVDW2= 5.149299E+01 WEIGHT= 1.593040D+00 (SC-p) +EES= -1.046038E+02 WEIGHT= 7.153400D-01 (p-p) +EVDWPP= -2.534726E+01 WEIGHT= 1.137100D-01 (p-p VDW) +ESTR= 0.000000E+00 WEIGHT= 1.000000D+00 (stretching) +EBE= -3.622361E+01 WEIGHT= 1.138730D+00 (bending) +ESC= 4.707095E+01 WEIGHT= 1.625800D-01 (SC local) +ETORS= 9.153770E+00 WEIGHT= 1.985990D+00 (torsional) +ETORSD= -4.547304E-01 WEIGHT= 1.570690D+00 (double torsional) +EHBP= 0.000000E+00 WEIGHT= 1.000000D+00 (SS bridges & dist. cnstr.) +ECORR4= -7.751404E+01 WEIGHT= 4.288700D-01 (multi-body) +ECORR5= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body) +ECORR6= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body) +EELLO= -6.090237E+00 WEIGHT= 1.603600D-01 (electrostatic-local) +ETURN3= 1.859780E+01 WEIGHT= 1.687220D+00 (turns, 3rd order) +ETURN4= -3.169544E+00 WEIGHT= 6.623000D-01 (turns, 4th order) +ETURN6= 0.000000E+00 WEIGHT= 0.000000D+00 (turns, 6th order) +ESCCOR= 0.000000E+00 WEIGHT= 0.000000D+00 (backbone-rotamer corr) +EDIHC= 0.000000E+00 (dihedral angle constraints) +ESS= 0.000000E+00 (disulfide-bridge intrinsic energy) +UCONST= 0.000000E+00 (Constraint energy) +EDFAD= 2.377498-315 (DFA distance energy) +EDFAT= 6.953299-310 (DFA torsion energy) +EDFAN= 1.976263-323 (DFA NCa energy) +EDFAB= 8.487983-314 (DFA Beta energy) +ETOT= -8.721159E+01 (total) +RMS deviation from the reference structure: 2.044 + % of native contacts: 66.667 + % of nonnative contacts: 57.895 + contact order: 0.289 + TM-score with the reference structure: 0.31 +Conformation # 82 + +Virtual-chain energies: + +EVDW= -5.396710E+01 WEIGHT= 1.352790D+00 (SC-SC) +EVDW2= 5.114453E+01 WEIGHT= 1.593040D+00 (SC-p) +EES= -1.000221E+02 WEIGHT= 7.153400D-01 (p-p) +EVDWPP= -2.232146E+01 WEIGHT= 1.137100D-01 (p-p VDW) +ESTR= 0.000000E+00 WEIGHT= 1.000000D+00 (stretching) +EBE= -3.899395E+01 WEIGHT= 1.138730D+00 (bending) +ESC= 6.074422E+01 WEIGHT= 1.625800D-01 (SC local) +ETORS= 8.985936E+00 WEIGHT= 1.985990D+00 (torsional) +ETORSD= -1.963429E+00 WEIGHT= 1.570690D+00 (double torsional) +EHBP= 0.000000E+00 WEIGHT= 1.000000D+00 (SS bridges & dist. cnstr.) +ECORR4= -7.628831E+01 WEIGHT= 4.288700D-01 (multi-body) +ECORR5= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body) +ECORR6= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body) +EELLO= 2.874707E+00 WEIGHT= 1.603600D-01 (electrostatic-local) +ETURN3= 1.922630E+01 WEIGHT= 1.687220D+00 (turns, 3rd order) +ETURN4= -1.775761E+00 WEIGHT= 6.623000D-01 (turns, 4th order) +ETURN6= 0.000000E+00 WEIGHT= 0.000000D+00 (turns, 6th order) +ESCCOR= 0.000000E+00 WEIGHT= 0.000000D+00 (backbone-rotamer corr) +EDIHC= 0.000000E+00 (dihedral angle constraints) +ESS= 0.000000E+00 (disulfide-bridge intrinsic energy) +UCONST= 0.000000E+00 (Constraint energy) +EDFAD= 2.377498-315 (DFA distance energy) +EDFAT= 6.953299-310 (DFA torsion energy) +EDFAN= 1.976263-323 (DFA NCa energy) +EDFAB= 8.487983-314 (DFA Beta energy) +ETOT= -8.637846E+01 (total) +RMS deviation from the reference structure: 5.517 + % of native contacts: 33.333 + % of nonnative contacts: 80.000 + contact order: 0.230 + TM-score with the reference structure: 0.29 +Conformation # 83 + +Virtual-chain energies: + +EVDW= -4.967079E+01 WEIGHT= 1.352790D+00 (SC-SC) +EVDW2= 4.575443E+01 WEIGHT= 1.593040D+00 (SC-p) +EES= -9.058588E+01 WEIGHT= 7.153400D-01 (p-p) +EVDWPP= -1.802426E+01 WEIGHT= 1.137100D-01 (p-p VDW) +ESTR= 0.000000E+00 WEIGHT= 1.000000D+00 (stretching) +EBE= -3.814456E+01 WEIGHT= 1.138730D+00 (bending) +ESC= 3.798496E+01 WEIGHT= 1.625800D-01 (SC local) +ETORS= 8.347573E+00 WEIGHT= 1.985990D+00 (torsional) +ETORSD= -2.343764E+00 WEIGHT= 1.570690D+00 (double torsional) +EHBP= 0.000000E+00 WEIGHT= 1.000000D+00 (SS bridges & dist. cnstr.) +ECORR4= -6.813979E+01 WEIGHT= 4.288700D-01 (multi-body) +ECORR5= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body) +ECORR6= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body) +EELLO= -4.057028E+00 WEIGHT= 1.603600D-01 (electrostatic-local) +ETURN3= 1.857192E+01 WEIGHT= 1.687220D+00 (turns, 3rd order) +ETURN4= -1.560471E+00 WEIGHT= 6.623000D-01 (turns, 4th order) +ETURN6= 0.000000E+00 WEIGHT= 0.000000D+00 (turns, 6th order) +ESCCOR= 0.000000E+00 WEIGHT= 0.000000D+00 (backbone-rotamer corr) +EDIHC= 0.000000E+00 (dihedral angle constraints) +ESS= 0.000000E+00 (disulfide-bridge intrinsic energy) +UCONST= 0.000000E+00 (Constraint energy) +EDFAD= 2.377498-315 (DFA distance energy) +EDFAT= 6.953299-310 (DFA torsion energy) +EDFAN= 1.976263-323 (DFA NCa energy) +EDFAB= 8.487983-314 (DFA Beta energy) +ETOT= -8.509093E+01 (total) +RMS deviation from the reference structure: 6.810 + % of native contacts: 25.000 + % of nonnative contacts: 83.333 + contact order: 0.255 + TM-score with the reference structure: 0.29 +Conformation # 84 + +Virtual-chain energies: + +EVDW= -5.383915E+01 WEIGHT= 1.352790D+00 (SC-SC) +EVDW2= 5.041238E+01 WEIGHT= 1.593040D+00 (SC-p) +EES= -1.015157E+02 WEIGHT= 7.153400D-01 (p-p) +EVDWPP= -2.501228E+01 WEIGHT= 1.137100D-01 (p-p VDW) +ESTR= 0.000000E+00 WEIGHT= 1.000000D+00 (stretching) +EBE= -3.771482E+01 WEIGHT= 1.138730D+00 (bending) +ESC= 5.189952E+01 WEIGHT= 1.625800D-01 (SC local) +ETORS= 8.859201E+00 WEIGHT= 1.985990D+00 (torsional) +ETORSD= -4.275747E-01 WEIGHT= 1.570690D+00 (double torsional) +EHBP= 0.000000E+00 WEIGHT= 1.000000D+00 (SS bridges & dist. cnstr.) +ECORR4= -7.620821E+01 WEIGHT= 4.288700D-01 (multi-body) +ECORR5= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body) +ECORR6= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body) +EELLO= -4.821808E+00 WEIGHT= 1.603600D-01 (electrostatic-local) +ETURN3= 1.794369E+01 WEIGHT= 1.687220D+00 (turns, 3rd order) +ETURN4= -3.240178E+00 WEIGHT= 6.623000D-01 (turns, 4th order) +ETURN6= 0.000000E+00 WEIGHT= 0.000000D+00 (turns, 6th order) +ESCCOR= 0.000000E+00 WEIGHT= 0.000000D+00 (backbone-rotamer corr) +EDIHC= 0.000000E+00 (dihedral angle constraints) +ESS= 0.000000E+00 (disulfide-bridge intrinsic energy) +UCONST= 0.000000E+00 (Constraint energy) +EDFAD= 2.377498-315 (DFA distance energy) +EDFAT= 6.953299-310 (DFA torsion energy) +EDFAN= 1.976263-323 (DFA NCa energy) +EDFAB= 8.487983-314 (DFA Beta energy) +ETOT= -9.090062E+01 (total) +RMS deviation from the reference structure: 2.049 + % of native contacts: 75.000 + % of nonnative contacts: 57.143 + contact order: 0.314 + TM-score with the reference structure: 0.31 +Conformation # 85 + +Virtual-chain energies: + +EVDW= -5.496481E+01 WEIGHT= 1.352790D+00 (SC-SC) +EVDW2= 4.737491E+01 WEIGHT= 1.593040D+00 (SC-p) +EES= -8.628890E+01 WEIGHT= 7.153400D-01 (p-p) +EVDWPP= -3.645449E+01 WEIGHT= 1.137100D-01 (p-p VDW) +ESTR= 0.000000E+00 WEIGHT= 1.000000D+00 (stretching) +EBE= -3.798832E+01 WEIGHT= 1.138730D+00 (bending) +ESC= 4.645862E+01 WEIGHT= 1.625800D-01 (SC local) +ETORS= 1.100795E+01 WEIGHT= 1.985990D+00 (torsional) +ETORSD= -4.124846E+00 WEIGHT= 1.570690D+00 (double torsional) +EHBP= 0.000000E+00 WEIGHT= 1.000000D+00 (SS bridges & dist. cnstr.) +ECORR4= -6.695103E+01 WEIGHT= 4.288700D-01 (multi-body) +ECORR5= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body) +ECORR6= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body) +EELLO= -2.140409E+00 WEIGHT= 1.603600D-01 (electrostatic-local) +ETURN3= 1.548896E+01 WEIGHT= 1.687220D+00 (turns, 3rd order) +ETURN4= 3.138644E+00 WEIGHT= 6.623000D-01 (turns, 4th order) +ETURN6= 0.000000E+00 WEIGHT= 0.000000D+00 (turns, 6th order) +ESCCOR= 0.000000E+00 WEIGHT= 0.000000D+00 (backbone-rotamer corr) +EDIHC= 0.000000E+00 (dihedral angle constraints) +ESS= 0.000000E+00 (disulfide-bridge intrinsic energy) +UCONST= 0.000000E+00 (Constraint energy) +EDFAD= 2.377498-315 (DFA distance energy) +EDFAT= 6.953299-310 (DFA torsion energy) +EDFAN= 1.976263-323 (DFA NCa energy) +EDFAB= 8.487983-314 (DFA Beta energy) +ETOT= -8.592375E+01 (total) +RMS deviation from the reference structure: 3.788 + % of native contacts: 41.667 + % of nonnative contacts: 78.261 + contact order: 0.312 + TM-score with the reference structure: 0.25 +Conformation # 86 + +Virtual-chain energies: + +EVDW= -5.151664E+01 WEIGHT= 1.352790D+00 (SC-SC) +EVDW2= 5.153803E+01 WEIGHT= 1.593040D+00 (SC-p) +EES= -1.001693E+02 WEIGHT= 7.153400D-01 (p-p) +EVDWPP= -2.837908E+01 WEIGHT= 1.137100D-01 (p-p VDW) +ESTR= 0.000000E+00 WEIGHT= 1.000000D+00 (stretching) +EBE= -3.828985E+01 WEIGHT= 1.138730D+00 (bending) +ESC= 3.395915E+01 WEIGHT= 1.625800D-01 (SC local) +ETORS= 8.660519E+00 WEIGHT= 1.985990D+00 (torsional) +ETORSD= 1.218462E+00 WEIGHT= 1.570690D+00 (double torsional) +EHBP= 0.000000E+00 WEIGHT= 1.000000D+00 (SS bridges & dist. cnstr.) +ECORR4= -7.406696E+01 WEIGHT= 4.288700D-01 (multi-body) +ECORR5= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body) +ECORR6= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body) +EELLO= -5.610702E+00 WEIGHT= 1.603600D-01 (electrostatic-local) +ETURN3= 1.647880E+01 WEIGHT= 1.687220D+00 (turns, 3rd order) +ETURN4= -4.451235E+00 WEIGHT= 6.623000D-01 (turns, 4th order) +ETURN6= 0.000000E+00 WEIGHT= 0.000000D+00 (turns, 6th order) +ESCCOR= 0.000000E+00 WEIGHT= 0.000000D+00 (backbone-rotamer corr) +EDIHC= 0.000000E+00 (dihedral angle constraints) +ESS= 0.000000E+00 (disulfide-bridge intrinsic energy) +UCONST= 0.000000E+00 (Constraint energy) +EDFAD= 2.377498-315 (DFA distance energy) +EDFAT= 6.953299-310 (DFA torsion energy) +EDFAN= 1.976263-323 (DFA NCa energy) +EDFAB= 8.487983-314 (DFA Beta energy) +ETOT= -8.924784E+01 (total) +RMS deviation from the reference structure: 3.027 + % of native contacts: 41.667 + % of nonnative contacts: 76.190 + contact order: 0.323 + TM-score with the reference structure: 0.32 +Conformation # 87 + +Virtual-chain energies: + +EVDW= -5.210645E+01 WEIGHT= 1.352790D+00 (SC-SC) +EVDW2= 4.846967E+01 WEIGHT= 1.593040D+00 (SC-p) +EES= -9.843126E+01 WEIGHT= 7.153400D-01 (p-p) +EVDWPP= -2.025809E+01 WEIGHT= 1.137100D-01 (p-p VDW) +ESTR= 0.000000E+00 WEIGHT= 1.000000D+00 (stretching) +EBE= -3.642634E+01 WEIGHT= 1.138730D+00 (bending) +ESC= 5.606863E+01 WEIGHT= 1.625800D-01 (SC local) +ETORS= 1.144373E+01 WEIGHT= 1.985990D+00 (torsional) +ETORSD= -1.792171E+00 WEIGHT= 1.570690D+00 (double torsional) +EHBP= 0.000000E+00 WEIGHT= 1.000000D+00 (SS bridges & dist. cnstr.) +ECORR4= -7.031345E+01 WEIGHT= 4.288700D-01 (multi-body) +ECORR5= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body) +ECORR6= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body) +EELLO= -2.755679E+00 WEIGHT= 1.603600D-01 (electrostatic-local) +ETURN3= 1.642108E+01 WEIGHT= 1.687220D+00 (turns, 3rd order) +ETURN4= -3.239959E+00 WEIGHT= 6.623000D-01 (turns, 4th order) +ETURN6= 0.000000E+00 WEIGHT= 0.000000D+00 (turns, 6th order) +ESCCOR= 0.000000E+00 WEIGHT= 0.000000D+00 (backbone-rotamer corr) +EDIHC= 0.000000E+00 (dihedral angle constraints) +ESS= 0.000000E+00 (disulfide-bridge intrinsic energy) +UCONST= 0.000000E+00 (Constraint energy) +EDFAD= 2.377498-315 (DFA distance energy) +EDFAT= 6.953299-310 (DFA torsion energy) +EDFAN= 1.976263-323 (DFA NCa energy) +EDFAB= 8.487983-314 (DFA Beta energy) +ETOT= -8.347934E+01 (total) +RMS deviation from the reference structure: 3.861 + % of native contacts: 33.333 + % of nonnative contacts: 78.947 + contact order: 0.285 + TM-score with the reference structure: 0.27 +Conformation # 88 + +Virtual-chain energies: + +EVDW= -5.659903E+01 WEIGHT= 1.352790D+00 (SC-SC) +EVDW2= 5.510575E+01 WEIGHT= 1.593040D+00 (SC-p) +EES= -1.109343E+02 WEIGHT= 7.153400D-01 (p-p) +EVDWPP= -2.466897E+01 WEIGHT= 1.137100D-01 (p-p VDW) +ESTR= 0.000000E+00 WEIGHT= 1.000000D+00 (stretching) +EBE= -3.977390E+01 WEIGHT= 1.138730D+00 (bending) +ESC= 4.986767E+01 WEIGHT= 1.625800D-01 (SC local) +ETORS= 1.305861E+01 WEIGHT= 1.985990D+00 (torsional) +ETORSD= -1.570175E+00 WEIGHT= 1.570690D+00 (double torsional) +EHBP= 0.000000E+00 WEIGHT= 1.000000D+00 (SS bridges & dist. cnstr.) +ECORR4= -8.425735E+01 WEIGHT= 4.288700D-01 (multi-body) +ECORR5= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body) +ECORR6= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body) +EELLO= -2.296543E+00 WEIGHT= 1.603600D-01 (electrostatic-local) +ETURN3= 1.984228E+01 WEIGHT= 1.687220D+00 (turns, 3rd order) +ETURN4= -5.540303E-01 WEIGHT= 6.623000D-01 (turns, 4th order) +ETURN6= 0.000000E+00 WEIGHT= 0.000000D+00 (turns, 6th order) +ESCCOR= 0.000000E+00 WEIGHT= 0.000000D+00 (backbone-rotamer corr) +EDIHC= 0.000000E+00 (dihedral angle constraints) +ESS= 0.000000E+00 (disulfide-bridge intrinsic energy) +UCONST= 0.000000E+00 (Constraint energy) +EDFAD= 2.377498-315 (DFA distance energy) +EDFAT= 6.953299-310 (DFA torsion energy) +EDFAN= 1.976263-323 (DFA NCa energy) +EDFAB= 8.487983-314 (DFA Beta energy) +ETOT= -8.805042E+01 (total) +RMS deviation from the reference structure: 2.700 + % of native contacts: 50.000 + % of nonnative contacts: 70.000 + contact order: 0.332 + TM-score with the reference structure: 0.30 +Conformation # 89 + +Virtual-chain energies: + +EVDW= -5.216496E+01 WEIGHT= 1.352790D+00 (SC-SC) +EVDW2= 4.605411E+01 WEIGHT= 1.593040D+00 (SC-p) +EES= -9.915445E+01 WEIGHT= 7.153400D-01 (p-p) +EVDWPP= -1.863289E+01 WEIGHT= 1.137100D-01 (p-p VDW) +ESTR= 0.000000E+00 WEIGHT= 1.000000D+00 (stretching) +EBE= -3.764325E+01 WEIGHT= 1.138730D+00 (bending) +ESC= 3.729499E+01 WEIGHT= 1.625800D-01 (SC local) +ETORS= 9.456769E+00 WEIGHT= 1.985990D+00 (torsional) +ETORSD= -5.866466E-01 WEIGHT= 1.570690D+00 (double torsional) +EHBP= 0.000000E+00 WEIGHT= 1.000000D+00 (SS bridges & dist. cnstr.) +ECORR4= -7.196981E+01 WEIGHT= 4.288700D-01 (multi-body) +ECORR5= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body) +ECORR6= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body) +EELLO= -3.968120E+00 WEIGHT= 1.603600D-01 (electrostatic-local) +ETURN3= 2.051695E+01 WEIGHT= 1.687220D+00 (turns, 3rd order) +ETURN4= -2.749466E+00 WEIGHT= 6.623000D-01 (turns, 4th order) +ETURN6= 0.000000E+00 WEIGHT= 0.000000D+00 (turns, 6th order) +ESCCOR= 0.000000E+00 WEIGHT= 0.000000D+00 (backbone-rotamer corr) +EDIHC= 0.000000E+00 (dihedral angle constraints) +ESS= 0.000000E+00 (disulfide-bridge intrinsic energy) +UCONST= 0.000000E+00 (Constraint energy) +EDFAD= 2.377498-315 (DFA distance energy) +EDFAT= 6.953299-310 (DFA torsion energy) +EDFAN= 1.976263-323 (DFA NCa energy) +EDFAB= 8.487983-314 (DFA Beta energy) +ETOT= -8.789894E+01 (total) +RMS deviation from the reference structure: 3.018 + % of native contacts: 33.333 + % of nonnative contacts: 78.947 + contact order: 0.318 + TM-score with the reference structure: 0.31 +Conformation # 90 + +Virtual-chain energies: + +EVDW= -5.071209E+01 WEIGHT= 1.352790D+00 (SC-SC) +EVDW2= 4.534102E+01 WEIGHT= 1.593040D+00 (SC-p) +EES= -8.866042E+01 WEIGHT= 7.153400D-01 (p-p) +EVDWPP= -1.940076E+01 WEIGHT= 1.137100D-01 (p-p VDW) +ESTR= 0.000000E+00 WEIGHT= 1.000000D+00 (stretching) +EBE= -3.866066E+01 WEIGHT= 1.138730D+00 (bending) +ESC= 4.522198E+01 WEIGHT= 1.625800D-01 (SC local) +ETORS= 7.788584E+00 WEIGHT= 1.985990D+00 (torsional) +ETORSD= -2.193343E+00 WEIGHT= 1.570690D+00 (double torsional) +EHBP= 0.000000E+00 WEIGHT= 1.000000D+00 (SS bridges & dist. cnstr.) +ECORR4= -6.683127E+01 WEIGHT= 4.288700D-01 (multi-body) +ECORR5= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body) +ECORR6= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body) +EELLO= -4.065925E+00 WEIGHT= 1.603600D-01 (electrostatic-local) +ETURN3= 1.787544E+01 WEIGHT= 1.687220D+00 (turns, 3rd order) +ETURN4= -1.817374E+00 WEIGHT= 6.623000D-01 (turns, 4th order) +ETURN6= 0.000000E+00 WEIGHT= 0.000000D+00 (turns, 6th order) +ESCCOR= 0.000000E+00 WEIGHT= 0.000000D+00 (backbone-rotamer corr) +EDIHC= 0.000000E+00 (dihedral angle constraints) +ESS= 0.000000E+00 (disulfide-bridge intrinsic energy) +UCONST= 0.000000E+00 (Constraint energy) +EDFAD= 2.377498-315 (DFA distance energy) +EDFAT= 6.953299-310 (DFA torsion energy) +EDFAN= 1.976263-323 (DFA NCa energy) +EDFAB= 8.487983-314 (DFA Beta energy) +ETOT= -8.700782E+01 (total) +RMS deviation from the reference structure: 6.747 + % of native contacts: 25.000 + % of nonnative contacts: 81.250 + contact order: 0.250 + TM-score with the reference structure: 0.29 +Conformation # 91 + +Virtual-chain energies: + +EVDW= -5.146637E+01 WEIGHT= 1.352790D+00 (SC-SC) +EVDW2= 5.203013E+01 WEIGHT= 1.593040D+00 (SC-p) +EES= -9.715987E+01 WEIGHT= 7.153400D-01 (p-p) +EVDWPP= -3.629945E+01 WEIGHT= 1.137100D-01 (p-p VDW) +ESTR= 0.000000E+00 WEIGHT= 1.000000D+00 (stretching) +EBE= -3.906384E+01 WEIGHT= 1.138730D+00 (bending) +ESC= 3.600508E+01 WEIGHT= 1.625800D-01 (SC local) +ETORS= 1.031974E+01 WEIGHT= 1.985990D+00 (torsional) +ETORSD= -2.479449E+00 WEIGHT= 1.570690D+00 (double torsional) +EHBP= 0.000000E+00 WEIGHT= 1.000000D+00 (SS bridges & dist. cnstr.) +ECORR4= -7.306675E+01 WEIGHT= 4.288700D-01 (multi-body) +ECORR5= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body) +ECORR6= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body) +EELLO= -2.842031E+00 WEIGHT= 1.603600D-01 (electrostatic-local) +ETURN3= 1.622558E+01 WEIGHT= 1.687220D+00 (turns, 3rd order) +ETURN4= 1.432367E+00 WEIGHT= 6.623000D-01 (turns, 4th order) +ETURN6= 0.000000E+00 WEIGHT= 0.000000D+00 (turns, 6th order) +ESCCOR= 0.000000E+00 WEIGHT= 0.000000D+00 (backbone-rotamer corr) +EDIHC= 0.000000E+00 (dihedral angle constraints) +ESS= 0.000000E+00 (disulfide-bridge intrinsic energy) +UCONST= 0.000000E+00 (Constraint energy) +EDFAD= 2.377498-315 (DFA distance energy) +EDFAT= 6.953299-310 (DFA torsion energy) +EDFAN= 1.976263-323 (DFA NCa energy) +EDFAB= 8.487983-314 (DFA Beta energy) +ETOT= -8.586317E+01 (total) +RMS deviation from the reference structure: 3.982 + % of native contacts: 16.667 + % of nonnative contacts: 88.889 + contact order: 0.270 + TM-score with the reference structure: 0.28 +Conformation # 92 + +Virtual-chain energies: + +EVDW= -5.303225E+01 WEIGHT= 1.352790D+00 (SC-SC) +EVDW2= 4.180237E+01 WEIGHT= 1.593040D+00 (SC-p) +EES= -7.717027E+01 WEIGHT= 7.153400D-01 (p-p) +EVDWPP= -2.519154E+01 WEIGHT= 1.137100D-01 (p-p VDW) +ESTR= 0.000000E+00 WEIGHT= 1.000000D+00 (stretching) +EBE= -3.811725E+01 WEIGHT= 1.138730D+00 (bending) +ESC= 4.025352E+01 WEIGHT= 1.625800D-01 (SC local) +ETORS= 8.394771E+00 WEIGHT= 1.985990D+00 (torsional) +ETORSD= -1.470878E+00 WEIGHT= 1.570690D+00 (double torsional) +EHBP= 0.000000E+00 WEIGHT= 1.000000D+00 (SS bridges & dist. cnstr.) +ECORR4= -5.620988E+01 WEIGHT= 4.288700D-01 (multi-body) +ECORR5= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body) +ECORR6= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body) +EELLO= 2.533016E+00 WEIGHT= 1.603600D-01 (electrostatic-local) +ETURN3= 1.420578E+01 WEIGHT= 1.687220D+00 (turns, 3rd order) +ETURN4= -3.014147E+00 WEIGHT= 6.623000D-01 (turns, 4th order) +ETURN6= 0.000000E+00 WEIGHT= 0.000000D+00 (turns, 6th order) +ESCCOR= 0.000000E+00 WEIGHT= 0.000000D+00 (backbone-rotamer corr) +EDIHC= 0.000000E+00 (dihedral angle constraints) +ESS= 0.000000E+00 (disulfide-bridge intrinsic energy) +UCONST= 0.000000E+00 (Constraint energy) +EDFAD= 2.377498-315 (DFA distance energy) +EDFAT= 6.953299-310 (DFA torsion energy) +EDFAN= 1.976263-323 (DFA NCa energy) +EDFAB= 8.487983-314 (DFA Beta energy) +ETOT= -8.744387E+01 (total) +RMS deviation from the reference structure: 4.453 + % of native contacts: 16.667 + % of nonnative contacts: 90.476 + contact order: 0.422 + TM-score with the reference structure: 0.30 +Conformation # 93 + +Virtual-chain energies: + +EVDW= -5.226601E+01 WEIGHT= 1.352790D+00 (SC-SC) +EVDW2= 4.745793E+01 WEIGHT= 1.593040D+00 (SC-p) +EES= -9.028932E+01 WEIGHT= 7.153400D-01 (p-p) +EVDWPP= -2.597462E+01 WEIGHT= 1.137100D-01 (p-p VDW) +ESTR= 0.000000E+00 WEIGHT= 1.000000D+00 (stretching) +EBE= -3.931164E+01 WEIGHT= 1.138730D+00 (bending) +ESC= 4.317454E+01 WEIGHT= 1.625800D-01 (SC local) +ETORS= 8.154073E+00 WEIGHT= 1.985990D+00 (torsional) +ETORSD= -1.785140E+00 WEIGHT= 1.570690D+00 (double torsional) +EHBP= 0.000000E+00 WEIGHT= 1.000000D+00 (SS bridges & dist. cnstr.) +ECORR4= -6.515563E+01 WEIGHT= 4.288700D-01 (multi-body) +ECORR5= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body) +ECORR6= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body) +EELLO= -7.982674E-02 WEIGHT= 1.603600D-01 (electrostatic-local) +ETURN3= 1.776965E+01 WEIGHT= 1.687220D+00 (turns, 3rd order) +ETURN4= 1.350821E+00 WEIGHT= 6.623000D-01 (turns, 4th order) +ETURN6= 0.000000E+00 WEIGHT= 0.000000D+00 (turns, 6th order) +ESCCOR= 0.000000E+00 WEIGHT= 0.000000D+00 (backbone-rotamer corr) +EDIHC= 0.000000E+00 (dihedral angle constraints) +ESS= 0.000000E+00 (disulfide-bridge intrinsic energy) +UCONST= 0.000000E+00 (Constraint energy) +EDFAD= 2.377498-315 (DFA distance energy) +EDFAT= 6.953299-310 (DFA torsion energy) +EDFAN= 1.976263-323 (DFA NCa energy) +EDFAB= 8.487983-314 (DFA Beta energy) +ETOT= -8.407985E+01 (total) +RMS deviation from the reference structure: 4.627 + % of native contacts: 41.667 + % of nonnative contacts: 75.000 + contact order: 0.366 + TM-score with the reference structure: 0.30 +Conformation # 94 + +Virtual-chain energies: + +EVDW= -5.305504E+01 WEIGHT= 1.352790D+00 (SC-SC) +EVDW2= 4.040257E+01 WEIGHT= 1.593040D+00 (SC-p) +EES= -7.338760E+01 WEIGHT= 7.153400D-01 (p-p) +EVDWPP= -2.906528E+01 WEIGHT= 1.137100D-01 (p-p VDW) +ESTR= 0.000000E+00 WEIGHT= 1.000000D+00 (stretching) +EBE= -3.507829E+01 WEIGHT= 1.138730D+00 (bending) +ESC= 3.942963E+01 WEIGHT= 1.625800D-01 (SC local) +ETORS= 5.760565E+00 WEIGHT= 1.985990D+00 (torsional) +ETORSD= -7.554845E-01 WEIGHT= 1.570690D+00 (double torsional) +EHBP= 0.000000E+00 WEIGHT= 1.000000D+00 (SS bridges & dist. cnstr.) +ECORR4= -5.481652E+01 WEIGHT= 4.288700D-01 (multi-body) +ECORR5= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body) +ECORR6= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body) +EELLO= -1.535032E+00 WEIGHT= 1.603600D-01 (electrostatic-local) +ETURN3= 1.537199E+01 WEIGHT= 1.687220D+00 (turns, 3rd order) +ETURN4= -6.138054E-01 WEIGHT= 6.623000D-01 (turns, 4th order) +ETURN6= 0.000000E+00 WEIGHT= 0.000000D+00 (turns, 6th order) +ESCCOR= 0.000000E+00 WEIGHT= 0.000000D+00 (backbone-rotamer corr) +EDIHC= 0.000000E+00 (dihedral angle constraints) +ESS= 0.000000E+00 (disulfide-bridge intrinsic energy) +UCONST= 0.000000E+00 (Constraint energy) +EDFAD= 2.377498-315 (DFA distance energy) +EDFAT= 6.953299-310 (DFA torsion energy) +EDFAN= 1.976263-323 (DFA NCa energy) +EDFAB= 8.487983-314 (DFA Beta energy) +ETOT= -8.471788E+01 (total) +RMS deviation from the reference structure: 6.453 + % of native contacts: 33.333 + % of nonnative contacts: 80.000 + contact order: 0.259 + TM-score with the reference structure: 0.26 +Conformation # 95 + +Virtual-chain energies: + +EVDW= -5.158367E+01 WEIGHT= 1.352790D+00 (SC-SC) +EVDW2= 3.240439E+01 WEIGHT= 1.593040D+00 (SC-p) +EES= -5.123474E+01 WEIGHT= 7.153400D-01 (p-p) +EVDWPP= -3.257753E+01 WEIGHT= 1.137100D-01 (p-p VDW) +ESTR= 0.000000E+00 WEIGHT= 1.000000D+00 (stretching) +EBE= -3.959975E+01 WEIGHT= 1.138730D+00 (bending) +ESC= 3.889836E+01 WEIGHT= 1.625800D-01 (SC local) +ETORS= 5.591493E+00 WEIGHT= 1.985990D+00 (torsional) +ETORSD= 2.569912E-01 WEIGHT= 1.570690D+00 (double torsional) +EHBP= 0.000000E+00 WEIGHT= 1.000000D+00 (SS bridges & dist. cnstr.) +ECORR4= -3.446822E+01 WEIGHT= 4.288700D-01 (multi-body) +ECORR5= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body) +ECORR6= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body) +EELLO= 1.747152E-01 WEIGHT= 1.603600D-01 (electrostatic-local) +ETURN3= 1.036650E+01 WEIGHT= 1.687220D+00 (turns, 3rd order) +ETURN4= -3.305997E+00 WEIGHT= 6.623000D-01 (turns, 4th order) +ETURN6= 0.000000E+00 WEIGHT= 0.000000D+00 (turns, 6th order) +ESCCOR= 0.000000E+00 WEIGHT= 0.000000D+00 (backbone-rotamer corr) +EDIHC= 0.000000E+00 (dihedral angle constraints) +ESS= 0.000000E+00 (disulfide-bridge intrinsic energy) +UCONST= 0.000000E+00 (Constraint energy) +EDFAD= 2.377498-315 (DFA distance energy) +EDFAT= 6.953299-310 (DFA torsion energy) +EDFAN= 1.976263-323 (DFA NCa energy) +EDFAB= 8.487983-314 (DFA Beta energy) +ETOT= -8.522942E+01 (total) +RMS deviation from the reference structure: 6.253 + % of native contacts: 16.667 + % of nonnative contacts: 87.500 + contact order: 0.327 + TM-score with the reference structure: 0.23 +Conformation # 96 + +Virtual-chain energies: + +EVDW= -5.325986E+01 WEIGHT= 1.352790D+00 (SC-SC) +EVDW2= 4.708790E+01 WEIGHT= 1.593040D+00 (SC-p) +EES= -8.977202E+01 WEIGHT= 7.153400D-01 (p-p) +EVDWPP= -2.956612E+01 WEIGHT= 1.137100D-01 (p-p VDW) +ESTR= 0.000000E+00 WEIGHT= 1.000000D+00 (stretching) +EBE= -3.744818E+01 WEIGHT= 1.138730D+00 (bending) +ESC= 4.796436E+01 WEIGHT= 1.625800D-01 (SC local) +ETORS= 7.045309E+00 WEIGHT= 1.985990D+00 (torsional) +ETORSD= 3.122536E-01 WEIGHT= 1.570690D+00 (double torsional) +EHBP= 0.000000E+00 WEIGHT= 1.000000D+00 (SS bridges & dist. cnstr.) +ECORR4= -6.800401E+01 WEIGHT= 4.288700D-01 (multi-body) +ECORR5= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body) +ECORR6= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body) +EELLO= -4.444968E+00 WEIGHT= 1.603600D-01 (electrostatic-local) +ETURN3= 1.585685E+01 WEIGHT= 1.687220D+00 (turns, 3rd order) +ETURN4= -1.832670E+00 WEIGHT= 6.623000D-01 (turns, 4th order) +ETURN6= 0.000000E+00 WEIGHT= 0.000000D+00 (turns, 6th order) +ESCCOR= 0.000000E+00 WEIGHT= 0.000000D+00 (backbone-rotamer corr) +EDIHC= 0.000000E+00 (dihedral angle constraints) +ESS= 0.000000E+00 (disulfide-bridge intrinsic energy) +UCONST= 0.000000E+00 (Constraint energy) +EDFAD= 2.377498-315 (DFA distance energy) +EDFAT= 6.953299-310 (DFA torsion energy) +EDFAN= 1.976263-323 (DFA NCa energy) +EDFAB= 8.487983-314 (DFA Beta energy) +ETOT= -8.931639E+01 (total) +RMS deviation from the reference structure: 3.239 + % of native contacts: 66.667 + % of nonnative contacts: 61.905 + contact order: 0.264 + TM-score with the reference structure: 0.31 +Conformation # 97 + +Virtual-chain energies: + +EVDW= -5.545603E+01 WEIGHT= 1.352790D+00 (SC-SC) +EVDW2= 5.332995E+01 WEIGHT= 1.593040D+00 (SC-p) +EES= -9.803467E+01 WEIGHT= 7.153400D-01 (p-p) +EVDWPP= -3.502618E+01 WEIGHT= 1.137100D-01 (p-p VDW) +ESTR= 0.000000E+00 WEIGHT= 1.000000D+00 (stretching) +EBE= -3.879956E+01 WEIGHT= 1.138730D+00 (bending) +ESC= 5.383543E+01 WEIGHT= 1.625800D-01 (SC local) +ETORS= 1.130222E+01 WEIGHT= 1.985990D+00 (torsional) +ETORSD= -3.385511E+00 WEIGHT= 1.570690D+00 (double torsional) +EHBP= 0.000000E+00 WEIGHT= 1.000000D+00 (SS bridges & dist. cnstr.) +ECORR4= -7.478531E+01 WEIGHT= 4.288700D-01 (multi-body) +ECORR5= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body) +ECORR6= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body) +EELLO= -6.288538E+00 WEIGHT= 1.603600D-01 (electrostatic-local) +ETURN3= 1.634838E+01 WEIGHT= 1.687220D+00 (turns, 3rd order) +ETURN4= 1.152510E+00 WEIGHT= 6.623000D-01 (turns, 4th order) +ETURN6= 0.000000E+00 WEIGHT= 0.000000D+00 (turns, 6th order) +ESCCOR= 0.000000E+00 WEIGHT= 0.000000D+00 (backbone-rotamer corr) +EDIHC= 0.000000E+00 (dihedral angle constraints) +ESS= 0.000000E+00 (disulfide-bridge intrinsic energy) +UCONST= 0.000000E+00 (Constraint energy) +EDFAD= 2.377498-315 (DFA distance energy) +EDFAT= 6.953299-310 (DFA torsion energy) +EDFAN= 1.976263-323 (DFA NCa energy) +EDFAB= 8.487983-314 (DFA Beta energy) +ETOT= -8.721071E+01 (total) +RMS deviation from the reference structure: 2.819 + % of native contacts: 58.333 + % of nonnative contacts: 72.000 + contact order: 0.373 + TM-score with the reference structure: 0.29 +Conformation # 98 + +Virtual-chain energies: + +EVDW= -5.022969E+01 WEIGHT= 1.352790D+00 (SC-SC) +EVDW2= 4.036407E+01 WEIGHT= 1.593040D+00 (SC-p) +EES= -7.829833E+01 WEIGHT= 7.153400D-01 (p-p) +EVDWPP= -2.089905E+01 WEIGHT= 1.137100D-01 (p-p VDW) +ESTR= 0.000000E+00 WEIGHT= 1.000000D+00 (stretching) +EBE= -3.855311E+01 WEIGHT= 1.138730D+00 (bending) +ESC= 3.318211E+01 WEIGHT= 1.625800D-01 (SC local) +ETORS= 9.760399E+00 WEIGHT= 1.985990D+00 (torsional) +ETORSD= -2.229435E+00 WEIGHT= 1.570690D+00 (double torsional) +EHBP= 0.000000E+00 WEIGHT= 1.000000D+00 (SS bridges & dist. cnstr.) +ECORR4= -5.963526E+01 WEIGHT= 4.288700D-01 (multi-body) +ECORR5= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body) +ECORR6= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body) +EELLO= 1.840771E+00 WEIGHT= 1.603600D-01 (electrostatic-local) +ETURN3= 1.489785E+01 WEIGHT= 1.687220D+00 (turns, 3rd order) +ETURN4= -2.095050E+00 WEIGHT= 6.623000D-01 (turns, 4th order) +ETURN6= 0.000000E+00 WEIGHT= 0.000000D+00 (turns, 6th order) +ESCCOR= 0.000000E+00 WEIGHT= 0.000000D+00 (backbone-rotamer corr) +EDIHC= 0.000000E+00 (dihedral angle constraints) +ESS= 0.000000E+00 (disulfide-bridge intrinsic energy) +UCONST= 0.000000E+00 (Constraint energy) +EDFAD= 2.377498-315 (DFA distance energy) +EDFAT= 6.953299-310 (DFA torsion energy) +EDFAN= 1.976263-323 (DFA NCa energy) +EDFAB= 8.487983-314 (DFA Beta energy) +ETOT= -8.619171E+01 (total) +RMS deviation from the reference structure: 4.543 + % of native contacts: 16.667 + % of nonnative contacts: 86.667 + contact order: 0.412 + TM-score with the reference structure: 0.31 +Conformation # 99 + +Virtual-chain energies: + +EVDW= -5.430907E+01 WEIGHT= 1.352790D+00 (SC-SC) +EVDW2= 4.861544E+01 WEIGHT= 1.593040D+00 (SC-p) +EES= -1.005784E+02 WEIGHT= 7.153400D-01 (p-p) +EVDWPP= -2.347644E+01 WEIGHT= 1.137100D-01 (p-p VDW) +ESTR= 0.000000E+00 WEIGHT= 1.000000D+00 (stretching) +EBE= -4.130772E+01 WEIGHT= 1.138730D+00 (bending) +ESC= 3.868964E+01 WEIGHT= 1.625800D-01 (SC local) +ETORS= 1.244286E+01 WEIGHT= 1.985990D+00 (torsional) +ETORSD= -9.433540E-01 WEIGHT= 1.570690D+00 (double torsional) +EHBP= 0.000000E+00 WEIGHT= 1.000000D+00 (SS bridges & dist. cnstr.) +ECORR4= -7.559535E+01 WEIGHT= 4.288700D-01 (multi-body) +ECORR5= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body) +ECORR6= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body) +EELLO= -1.314296E+00 WEIGHT= 1.603600D-01 (electrostatic-local) +ETURN3= 1.985140E+01 WEIGHT= 1.687220D+00 (turns, 3rd order) +ETURN4= 4.991208E-01 WEIGHT= 6.623000D-01 (turns, 4th order) +ETURN6= 0.000000E+00 WEIGHT= 0.000000D+00 (turns, 6th order) +ESCCOR= 0.000000E+00 WEIGHT= 0.000000D+00 (backbone-rotamer corr) +EDIHC= 0.000000E+00 (dihedral angle constraints) +ESS= 0.000000E+00 (disulfide-bridge intrinsic energy) +UCONST= 0.000000E+00 (Constraint energy) +EDFAD= 2.377498-315 (DFA distance energy) +EDFAT= 6.953299-310 (DFA torsion energy) +EDFAN= 1.976263-323 (DFA NCa energy) +EDFAB= 8.487983-314 (DFA Beta energy) +ETOT= -8.696527E+01 (total) +RMS deviation from the reference structure: 2.418 + % of native contacts: 50.000 + % of nonnative contacts: 70.000 + contact order: 0.305 + TM-score with the reference structure: 0.34 +Conformation # 100 + +Virtual-chain energies: + +EVDW= -5.724607E+01 WEIGHT= 1.352790D+00 (SC-SC) +EVDW2= 5.144379E+01 WEIGHT= 1.593040D+00 (SC-p) +EES= -9.716258E+01 WEIGHT= 7.153400D-01 (p-p) +EVDWPP= -2.743801E+01 WEIGHT= 1.137100D-01 (p-p VDW) +ESTR= 0.000000E+00 WEIGHT= 1.000000D+00 (stretching) +EBE= -3.757445E+01 WEIGHT= 1.138730D+00 (bending) +ESC= 4.796479E+01 WEIGHT= 1.625800D-01 (SC local) +ETORS= 1.260098E+01 WEIGHT= 1.985990D+00 (torsional) +ETORSD= -2.875657E+00 WEIGHT= 1.570690D+00 (double torsional) +EHBP= 0.000000E+00 WEIGHT= 1.000000D+00 (SS bridges & dist. cnstr.) +ECORR4= -7.403380E+01 WEIGHT= 4.288700D-01 (multi-body) +ECORR5= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body) +ECORR6= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body) +EELLO= -7.543811E+00 WEIGHT= 1.603600D-01 (electrostatic-local) +ETURN3= 1.718962E+01 WEIGHT= 1.687220D+00 (turns, 3rd order) +ETURN4= -2.812283E+00 WEIGHT= 6.623000D-01 (turns, 4th order) +ETURN6= 0.000000E+00 WEIGHT= 0.000000D+00 (turns, 6th order) +ESCCOR= 0.000000E+00 WEIGHT= 0.000000D+00 (backbone-rotamer corr) +EDIHC= 0.000000E+00 (dihedral angle constraints) +ESS= 0.000000E+00 (disulfide-bridge intrinsic energy) +UCONST= 0.000000E+00 (Constraint energy) +EDFAD= 2.377498-315 (DFA distance energy) +EDFAT= 6.953299-310 (DFA torsion energy) +EDFAN= 1.976263-323 (DFA NCa energy) +EDFAB= 8.487983-314 (DFA Beta energy) +ETOT= -8.841506E+01 (total) +RMS deviation from the reference structure: 3.317 + % of native contacts: 33.333 + % of nonnative contacts: 78.947 + contact order: 0.354 + TM-score with the reference structure: 0.29 +Conformation # 101 + +Virtual-chain energies: + +EVDW= -5.535102E+01 WEIGHT= 1.352790D+00 (SC-SC) +EVDW2= 4.839147E+01 WEIGHT= 1.593040D+00 (SC-p) +EES= -9.759182E+01 WEIGHT= 7.153400D-01 (p-p) +EVDWPP= -1.979414E+01 WEIGHT= 1.137100D-01 (p-p VDW) +ESTR= 0.000000E+00 WEIGHT= 1.000000D+00 (stretching) +EBE= -3.837419E+01 WEIGHT= 1.138730D+00 (bending) +ESC= 6.252031E+01 WEIGHT= 1.625800D-01 (SC local) +ETORS= 8.699366E+00 WEIGHT= 1.985990D+00 (torsional) +ETORSD= -4.487028E-01 WEIGHT= 1.570690D+00 (double torsional) +EHBP= 0.000000E+00 WEIGHT= 1.000000D+00 (SS bridges & dist. cnstr.) +ECORR4= -7.327378E+01 WEIGHT= 4.288700D-01 (multi-body) +ECORR5= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body) +ECORR6= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body) +EELLO= -3.023825E+00 WEIGHT= 1.603600D-01 (electrostatic-local) +ETURN3= 1.939267E+01 WEIGHT= 1.687220D+00 (turns, 3rd order) +ETURN4= -3.329013E+00 WEIGHT= 6.623000D-01 (turns, 4th order) +ETURN6= 0.000000E+00 WEIGHT= 0.000000D+00 (turns, 6th order) +ESCCOR= 0.000000E+00 WEIGHT= 0.000000D+00 (backbone-rotamer corr) +EDIHC= 0.000000E+00 (dihedral angle constraints) +ESS= 0.000000E+00 (disulfide-bridge intrinsic energy) +UCONST= 0.000000E+00 (Constraint energy) +EDFAD= 2.377498-315 (DFA distance energy) +EDFAT= 6.953299-310 (DFA torsion energy) +EDFAN= 1.976263-323 (DFA NCa energy) +EDFAB= 8.487983-314 (DFA Beta energy) +ETOT= -8.820701E+01 (total) +RMS deviation from the reference structure: 6.768 + % of native contacts: 33.333 + % of nonnative contacts: 78.947 + contact order: 0.239 + TM-score with the reference structure: 0.30 +Conformation # 102 + +Virtual-chain energies: + +EVDW= -5.143498E+01 WEIGHT= 1.352790D+00 (SC-SC) +EVDW2= 5.330982E+01 WEIGHT= 1.593040D+00 (SC-p) +EES= -1.094946E+02 WEIGHT= 7.153400D-01 (p-p) +EVDWPP= -2.933253E+01 WEIGHT= 1.137100D-01 (p-p VDW) +ESTR= 0.000000E+00 WEIGHT= 1.000000D+00 (stretching) +EBE= -3.827663E+01 WEIGHT= 1.138730D+00 (bending) +ESC= 4.515099E+01 WEIGHT= 1.625800D-01 (SC local) +ETORS= 1.127804E+01 WEIGHT= 1.985990D+00 (torsional) +ETORSD= -8.212433E-01 WEIGHT= 1.570690D+00 (double torsional) +EHBP= 0.000000E+00 WEIGHT= 1.000000D+00 (SS bridges & dist. cnstr.) +ECORR4= -8.108389E+01 WEIGHT= 4.288700D-01 (multi-body) +ECORR5= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body) +ECORR6= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body) +EELLO= -4.450921E+00 WEIGHT= 1.603600D-01 (electrostatic-local) +ETURN3= 1.904729E+01 WEIGHT= 1.687220D+00 (turns, 3rd order) +ETURN4= -2.458334E+00 WEIGHT= 6.623000D-01 (turns, 4th order) +ETURN6= 0.000000E+00 WEIGHT= 0.000000D+00 (turns, 6th order) +ESCCOR= 0.000000E+00 WEIGHT= 0.000000D+00 (backbone-rotamer corr) +EDIHC= 0.000000E+00 (dihedral angle constraints) +ESS= 0.000000E+00 (disulfide-bridge intrinsic energy) +UCONST= 0.000000E+00 (Constraint energy) +EDFAD= 2.377498-315 (DFA distance energy) +EDFAT= 6.953299-310 (DFA torsion energy) +EDFAN= 1.976263-323 (DFA NCa energy) +EDFAB= 8.487983-314 (DFA Beta energy) +ETOT= -8.643466E+01 (total) +RMS deviation from the reference structure: 2.882 + % of native contacts: 25.000 + % of nonnative contacts: 84.211 + contact order: 0.203 + TM-score with the reference structure: 0.27 +Conformation # 103 + +Virtual-chain energies: + +EVDW= -5.589893E+01 WEIGHT= 1.352790D+00 (SC-SC) +EVDW2= 5.353279E+01 WEIGHT= 1.593040D+00 (SC-p) +EES= -1.085247E+02 WEIGHT= 7.153400D-01 (p-p) +EVDWPP= -2.417639E+01 WEIGHT= 1.137100D-01 (p-p VDW) +ESTR= 0.000000E+00 WEIGHT= 1.000000D+00 (stretching) +EBE= -3.856993E+01 WEIGHT= 1.138730D+00 (bending) +ESC= 5.890451E+01 WEIGHT= 1.625800D-01 (SC local) +ETORS= 1.206280E+01 WEIGHT= 1.985990D+00 (torsional) +ETORSD= -2.160201E+00 WEIGHT= 1.570690D+00 (double torsional) +EHBP= 0.000000E+00 WEIGHT= 1.000000D+00 (SS bridges & dist. cnstr.) +ECORR4= -8.397418E+01 WEIGHT= 4.288700D-01 (multi-body) +ECORR5= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body) +ECORR6= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body) +EELLO= -4.884085E+00 WEIGHT= 1.603600D-01 (electrostatic-local) +ETURN3= 1.912342E+01 WEIGHT= 1.687220D+00 (turns, 3rd order) +ETURN4= 3.670702E-02 WEIGHT= 6.623000D-01 (turns, 4th order) +ETURN6= 0.000000E+00 WEIGHT= 0.000000D+00 (turns, 6th order) +ESCCOR= 0.000000E+00 WEIGHT= 0.000000D+00 (backbone-rotamer corr) +EDIHC= 0.000000E+00 (dihedral angle constraints) +ESS= 0.000000E+00 (disulfide-bridge intrinsic energy) +UCONST= 0.000000E+00 (Constraint energy) +EDFAD= 2.377498-315 (DFA distance energy) +EDFAT= 6.953299-310 (DFA torsion energy) +EDFAN= 1.976263-323 (DFA NCa energy) +EDFAB= 8.487983-314 (DFA Beta energy) +ETOT= -8.900874E+01 (total) +RMS deviation from the reference structure: 2.514 + % of native contacts: 58.333 + % of nonnative contacts: 69.565 + contact order: 0.312 + TM-score with the reference structure: 0.33 +Conformation # 104 + +Virtual-chain energies: + +EVDW= -5.656538E+01 WEIGHT= 1.352790D+00 (SC-SC) +EVDW2= 5.258591E+01 WEIGHT= 1.593040D+00 (SC-p) +EES= -1.034152E+02 WEIGHT= 7.153400D-01 (p-p) +EVDWPP= -2.375174E+01 WEIGHT= 1.137100D-01 (p-p VDW) +ESTR= 0.000000E+00 WEIGHT= 1.000000D+00 (stretching) +EBE= -3.793318E+01 WEIGHT= 1.138730D+00 (bending) +ESC= 4.643550E+01 WEIGHT= 1.625800D-01 (SC local) +ETORS= 9.281829E+00 WEIGHT= 1.985990D+00 (torsional) +ETORSD= -1.594245E-01 WEIGHT= 1.570690D+00 (double torsional) +EHBP= 0.000000E+00 WEIGHT= 1.000000D+00 (SS bridges & dist. cnstr.) +ECORR4= -7.810727E+01 WEIGHT= 4.288700D-01 (multi-body) +ECORR5= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body) +ECORR6= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body) +EELLO= -5.733387E+00 WEIGHT= 1.603600D-01 (electrostatic-local) +ETURN3= 1.809409E+01 WEIGHT= 1.687220D+00 (turns, 3rd order) +ETURN4= -2.663255E+00 WEIGHT= 6.623000D-01 (turns, 4th order) +ETURN6= 0.000000E+00 WEIGHT= 0.000000D+00 (turns, 6th order) +ESCCOR= 0.000000E+00 WEIGHT= 0.000000D+00 (backbone-rotamer corr) +EDIHC= 0.000000E+00 (dihedral angle constraints) +ESS= 0.000000E+00 (disulfide-bridge intrinsic energy) +UCONST= 0.000000E+00 (Constraint energy) +EDFAD= 2.377498-315 (DFA distance energy) +EDFAT= 6.953299-310 (DFA torsion energy) +EDFAN= 1.976263-323 (DFA NCa energy) +EDFAB= 8.487983-314 (DFA Beta energy) +ETOT= -9.254286E+01 (total) +RMS deviation from the reference structure: 2.382 + % of native contacts: 41.667 + % of nonnative contacts: 76.190 + contact order: 0.323 + TM-score with the reference structure: 0.29 +Conformation # 105 + +Virtual-chain energies: + +EVDW= -5.289437E+01 WEIGHT= 1.352790D+00 (SC-SC) +EVDW2= 3.605917E+01 WEIGHT= 1.593040D+00 (SC-p) +EES= -6.294955E+01 WEIGHT= 7.153400D-01 (p-p) +EVDWPP= -2.980292E+01 WEIGHT= 1.137100D-01 (p-p VDW) +ESTR= 0.000000E+00 WEIGHT= 1.000000D+00 (stretching) +EBE= -3.718345E+01 WEIGHT= 1.138730D+00 (bending) +ESC= 4.526428E+01 WEIGHT= 1.625800D-01 (SC local) +ETORS= 5.806239E+00 WEIGHT= 1.985990D+00 (torsional) +ETORSD= -1.783733E+00 WEIGHT= 1.570690D+00 (double torsional) +EHBP= 0.000000E+00 WEIGHT= 1.000000D+00 (SS bridges & dist. cnstr.) +ECORR4= -4.623563E+01 WEIGHT= 4.288700D-01 (multi-body) +ECORR5= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body) +ECORR6= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body) +EELLO= -2.962511E+00 WEIGHT= 1.603600D-01 (electrostatic-local) +ETURN3= 1.398257E+01 WEIGHT= 1.687220D+00 (turns, 3rd order) +ETURN4= -1.266836E+00 WEIGHT= 6.623000D-01 (turns, 4th order) +ETURN6= 0.000000E+00 WEIGHT= 0.000000D+00 (turns, 6th order) +ESCCOR= 0.000000E+00 WEIGHT= 0.000000D+00 (backbone-rotamer corr) +EDIHC= 0.000000E+00 (dihedral angle constraints) +ESS= 0.000000E+00 (disulfide-bridge intrinsic energy) +UCONST= 0.000000E+00 (Constraint energy) +EDFAD= 2.377498-315 (DFA distance energy) +EDFAT= 6.953299-310 (DFA torsion energy) +EDFAN= 1.976263-323 (DFA NCa energy) +EDFAB= 8.487983-314 (DFA Beta energy) +ETOT= -8.633541E+01 (total) +RMS deviation from the reference structure: 4.495 + % of native contacts: 41.667 + % of nonnative contacts: 75.000 + contact order: 0.370 + TM-score with the reference structure: 0.28 +Conformation # 106 + +Virtual-chain energies: + +EVDW= -5.302316E+01 WEIGHT= 1.352790D+00 (SC-SC) +EVDW2= 4.551487E+01 WEIGHT= 1.593040D+00 (SC-p) +EES= -9.062896E+01 WEIGHT= 7.153400D-01 (p-p) +EVDWPP= -1.814267E+01 WEIGHT= 1.137100D-01 (p-p VDW) +ESTR= 0.000000E+00 WEIGHT= 1.000000D+00 (stretching) +EBE= -3.701167E+01 WEIGHT= 1.138730D+00 (bending) +ESC= 4.226744E+01 WEIGHT= 1.625800D-01 (SC local) +ETORS= 9.326660E+00 WEIGHT= 1.985990D+00 (torsional) +ETORSD= 5.504356E-01 WEIGHT= 1.570690D+00 (double torsional) +EHBP= 0.000000E+00 WEIGHT= 1.000000D+00 (SS bridges & dist. cnstr.) +ECORR4= -6.826483E+01 WEIGHT= 4.288700D-01 (multi-body) +ECORR5= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body) +ECORR6= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body) +EELLO= -1.372311E+00 WEIGHT= 1.603600D-01 (electrostatic-local) +ETURN3= 1.749302E+01 WEIGHT= 1.687220D+00 (turns, 3rd order) +ETURN4= -2.991124E+00 WEIGHT= 6.623000D-01 (turns, 4th order) +ETURN6= 0.000000E+00 WEIGHT= 0.000000D+00 (turns, 6th order) +ESCCOR= 0.000000E+00 WEIGHT= 0.000000D+00 (backbone-rotamer corr) +EDIHC= 0.000000E+00 (dihedral angle constraints) +ESS= 0.000000E+00 (disulfide-bridge intrinsic energy) +UCONST= 0.000000E+00 (Constraint energy) +EDFAD= 2.377498-315 (DFA distance energy) +EDFAT= 6.953299-310 (DFA torsion energy) +EDFAN= 1.976263-323 (DFA NCa energy) +EDFAB= 8.487983-314 (DFA Beta energy) +ETOT= -8.396620E+01 (total) +RMS deviation from the reference structure: 5.572 + % of native contacts: 33.333 + % of nonnative contacts: 81.818 + contact order: 0.320 + TM-score with the reference structure: 0.32 +Conformation # 107 + +Virtual-chain energies: + +EVDW= -5.264809E+01 WEIGHT= 1.352790D+00 (SC-SC) +EVDW2= 4.669068E+01 WEIGHT= 1.593040D+00 (SC-p) +EES= -9.895327E+01 WEIGHT= 7.153400D-01 (p-p) +EVDWPP= -1.958736E+01 WEIGHT= 1.137100D-01 (p-p VDW) +ESTR= 0.000000E+00 WEIGHT= 1.000000D+00 (stretching) +EBE= -3.920952E+01 WEIGHT= 1.138730D+00 (bending) +ESC= 3.800743E+01 WEIGHT= 1.625800D-01 (SC local) +ETORS= 9.542073E+00 WEIGHT= 1.985990D+00 (torsional) +ETORSD= -6.834820E-01 WEIGHT= 1.570690D+00 (double torsional) +EHBP= 0.000000E+00 WEIGHT= 1.000000D+00 (SS bridges & dist. cnstr.) +ECORR4= -7.181022E+01 WEIGHT= 4.288700D-01 (multi-body) +ECORR5= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body) +ECORR6= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body) +EELLO= -4.270747E+00 WEIGHT= 1.603600D-01 (electrostatic-local) +ETURN3= 2.046079E+01 WEIGHT= 1.687220D+00 (turns, 3rd order) +ETURN4= -2.835288E+00 WEIGHT= 6.623000D-01 (turns, 4th order) +ETURN6= 0.000000E+00 WEIGHT= 0.000000D+00 (turns, 6th order) +ESCCOR= 0.000000E+00 WEIGHT= 0.000000D+00 (backbone-rotamer corr) +EDIHC= 0.000000E+00 (dihedral angle constraints) +ESS= 0.000000E+00 (disulfide-bridge intrinsic energy) +UCONST= 0.000000E+00 (Constraint energy) +EDFAD= 2.377498-315 (DFA distance energy) +EDFAT= 6.953299-310 (DFA torsion energy) +EDFAN= 1.976263-323 (DFA NCa energy) +EDFAB= 8.487983-314 (DFA Beta energy) +ETOT= -8.928515E+01 (total) +RMS deviation from the reference structure: 3.100 + % of native contacts: 41.667 + % of nonnative contacts: 75.000 + contact order: 0.330 + TM-score with the reference structure: 0.31 +Conformation # 108 + +Virtual-chain energies: + +EVDW= -4.860329E+01 WEIGHT= 1.352790D+00 (SC-SC) +EVDW2= 6.122145E+01 WEIGHT= 1.593040D+00 (SC-p) +EES= -1.220793E+02 WEIGHT= 7.153400D-01 (p-p) +EVDWPP= -1.535644E+01 WEIGHT= 1.137100D-01 (p-p VDW) +ESTR= 0.000000E+00 WEIGHT= 1.000000D+00 (stretching) +EBE= -3.524441E+01 WEIGHT= 1.138730D+00 (bending) +ESC= 4.195367E+01 WEIGHT= 1.625800D-01 (SC local) +ETORS= 1.190700E+01 WEIGHT= 1.985990D+00 (torsional) +ETORSD= -2.260933E+00 WEIGHT= 1.570690D+00 (double torsional) +EHBP= 0.000000E+00 WEIGHT= 1.000000D+00 (SS bridges & dist. cnstr.) +ECORR4= -9.533949E+01 WEIGHT= 4.288700D-01 (multi-body) +ECORR5= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body) +ECORR6= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body) +EELLO= -8.282052E+00 WEIGHT= 1.603600D-01 (electrostatic-local) +ETURN3= 1.781828E+01 WEIGHT= 1.687220D+00 (turns, 3rd order) +ETURN4= -5.591339E+00 WEIGHT= 6.623000D-01 (turns, 4th order) +ETURN6= 0.000000E+00 WEIGHT= 0.000000D+00 (turns, 6th order) +ESCCOR= 0.000000E+00 WEIGHT= 0.000000D+00 (backbone-rotamer corr) +EDIHC= 0.000000E+00 (dihedral angle constraints) +ESS= 0.000000E+00 (disulfide-bridge intrinsic energy) +UCONST= 0.000000E+00 (Constraint energy) +EDFAD= 2.377498-315 (DFA distance energy) +EDFAT= 6.953299-310 (DFA torsion energy) +EDFAN= 1.976263-323 (DFA NCa energy) +EDFAB= 8.487983-314 (DFA Beta energy) +ETOT= -8.636944E+01 (total) +RMS deviation from the reference structure: 3.095 + % of native contacts: 58.333 + % of nonnative contacts: 65.000 + contact order: 0.261 + TM-score with the reference structure: 0.29 +Conformation # 109 + +Virtual-chain energies: + +EVDW= -5.511746E+01 WEIGHT= 1.352790D+00 (SC-SC) +EVDW2= 5.203095E+01 WEIGHT= 1.593040D+00 (SC-p) +EES= -1.003865E+02 WEIGHT= 7.153400D-01 (p-p) +EVDWPP= -2.872994E+01 WEIGHT= 1.137100D-01 (p-p VDW) +ESTR= 0.000000E+00 WEIGHT= 1.000000D+00 (stretching) +EBE= -3.447959E+01 WEIGHT= 1.138730D+00 (bending) +ESC= 5.851853E+01 WEIGHT= 1.625800D-01 (SC local) +ETORS= 8.954491E+00 WEIGHT= 1.985990D+00 (torsional) +ETORSD= 8.876968E-01 WEIGHT= 1.570690D+00 (double torsional) +EHBP= 0.000000E+00 WEIGHT= 1.000000D+00 (SS bridges & dist. cnstr.) +ECORR4= -7.413214E+01 WEIGHT= 4.288700D-01 (multi-body) +ECORR5= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body) +ECORR6= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body) +EELLO= -5.851648E+00 WEIGHT= 1.603600D-01 (electrostatic-local) +ETURN3= 1.654777E+01 WEIGHT= 1.687220D+00 (turns, 3rd order) +ETURN4= -4.447041E+00 WEIGHT= 6.623000D-01 (turns, 4th order) +ETURN6= 0.000000E+00 WEIGHT= 0.000000D+00 (turns, 6th order) +ESCCOR= 0.000000E+00 WEIGHT= 0.000000D+00 (backbone-rotamer corr) +EDIHC= 0.000000E+00 (dihedral angle constraints) +ESS= 0.000000E+00 (disulfide-bridge intrinsic energy) +UCONST= 0.000000E+00 (Constraint energy) +EDFAD= 2.377498-315 (DFA distance energy) +EDFAT= 6.953299-310 (DFA torsion energy) +EDFAN= 1.976263-323 (DFA NCa energy) +EDFAB= 8.487983-314 (DFA Beta energy) +ETOT= -8.508046E+01 (total) +RMS deviation from the reference structure: 2.970 + % of native contacts: 58.333 + % of nonnative contacts: 73.077 + contact order: 0.329 + TM-score with the reference structure: 0.28 +Conformation # 110 + +Virtual-chain energies: + +EVDW= -5.236001E+01 WEIGHT= 1.352790D+00 (SC-SC) +EVDW2= 4.791947E+01 WEIGHT= 1.593040D+00 (SC-p) +EES= -8.765310E+01 WEIGHT= 7.153400D-01 (p-p) +EVDWPP= -2.432258E+01 WEIGHT= 1.137100D-01 (p-p VDW) +ESTR= 0.000000E+00 WEIGHT= 1.000000D+00 (stretching) +EBE= -3.926515E+01 WEIGHT= 1.138730D+00 (bending) +ESC= 3.043106E+01 WEIGHT= 1.625800D-01 (SC local) +ETORS= 8.901225E+00 WEIGHT= 1.985990D+00 (torsional) +ETORSD= -8.860211E-01 WEIGHT= 1.570690D+00 (double torsional) +EHBP= 0.000000E+00 WEIGHT= 1.000000D+00 (SS bridges & dist. cnstr.) +ECORR4= -6.471215E+01 WEIGHT= 4.288700D-01 (multi-body) +ECORR5= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body) +ECORR6= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body) +EELLO= 1.627627E+00 WEIGHT= 1.603600D-01 (electrostatic-local) +ETURN3= 1.606716E+01 WEIGHT= 1.687220D+00 (turns, 3rd order) +ETURN4= -1.519288E+00 WEIGHT= 6.623000D-01 (turns, 4th order) +ETURN6= 0.000000E+00 WEIGHT= 0.000000D+00 (turns, 6th order) +ESCCOR= 0.000000E+00 WEIGHT= 0.000000D+00 (backbone-rotamer corr) +EDIHC= 0.000000E+00 (dihedral angle constraints) +ESS= 0.000000E+00 (disulfide-bridge intrinsic energy) +UCONST= 0.000000E+00 (Constraint energy) +EDFAD= 2.377498-315 (DFA distance energy) +EDFAT= 6.953299-310 (DFA torsion energy) +EDFAN= 1.976263-323 (DFA NCa energy) +EDFAB= 8.487983-314 (DFA Beta energy) +ETOT= -8.483028E+01 (total) +RMS deviation from the reference structure: 4.780 + % of native contacts: 41.667 + % of nonnative contacts: 73.684 + contact order: 0.359 + TM-score with the reference structure: 0.29 +Conformation # 111 + +Virtual-chain energies: + +EVDW= -5.378908E+01 WEIGHT= 1.352790D+00 (SC-SC) +EVDW2= 5.375832E+01 WEIGHT= 1.593040D+00 (SC-p) +EES= -1.063406E+02 WEIGHT= 7.153400D-01 (p-p) +EVDWPP= -1.885633E+01 WEIGHT= 1.137100D-01 (p-p VDW) +ESTR= 0.000000E+00 WEIGHT= 1.000000D+00 (stretching) +EBE= -4.094052E+01 WEIGHT= 1.138730D+00 (bending) +ESC= 2.870311E+01 WEIGHT= 1.625800D-01 (SC local) +ETORS= 1.416159E+01 WEIGHT= 1.985990D+00 (torsional) +ETORSD= -2.469380E+00 WEIGHT= 1.570690D+00 (double torsional) +EHBP= 0.000000E+00 WEIGHT= 1.000000D+00 (SS bridges & dist. cnstr.) +ECORR4= -7.827962E+01 WEIGHT= 4.288700D-01 (multi-body) +ECORR5= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body) +ECORR6= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body) +EELLO= -3.510452E-01 WEIGHT= 1.603600D-01 (electrostatic-local) +ETURN3= 1.794869E+01 WEIGHT= 1.687220D+00 (turns, 3rd order) +ETURN4= 1.158822E+00 WEIGHT= 6.623000D-01 (turns, 4th order) +ETURN6= 0.000000E+00 WEIGHT= 0.000000D+00 (turns, 6th order) +ESCCOR= 0.000000E+00 WEIGHT= 0.000000D+00 (backbone-rotamer corr) +EDIHC= 0.000000E+00 (dihedral angle constraints) +ESS= 0.000000E+00 (disulfide-bridge intrinsic energy) +UCONST= 0.000000E+00 (Constraint energy) +EDFAD= 2.377498-315 (DFA distance energy) +EDFAT= 6.953299-310 (DFA torsion energy) +EDFAN= 1.976263-323 (DFA NCa energy) +EDFAB= 8.487983-314 (DFA Beta energy) +ETOT= -8.562473E+01 (total) +RMS deviation from the reference structure: 4.105 + % of native contacts: 41.667 + % of nonnative contacts: 75.000 + contact order: 0.300 + TM-score with the reference structure: 0.29 +Conformation # 112 + +Virtual-chain energies: + +EVDW= -5.242247E+01 WEIGHT= 1.352790D+00 (SC-SC) +EVDW2= 5.094253E+01 WEIGHT= 1.593040D+00 (SC-p) +EES= -1.039453E+02 WEIGHT= 7.153400D-01 (p-p) +EVDWPP= -1.909704E+01 WEIGHT= 1.137100D-01 (p-p VDW) +ESTR= 0.000000E+00 WEIGHT= 1.000000D+00 (stretching) +EBE= -4.130032E+01 WEIGHT= 1.138730D+00 (bending) +ESC= 3.995764E+01 WEIGHT= 1.625800D-01 (SC local) +ETORS= 1.202082E+01 WEIGHT= 1.985990D+00 (torsional) +ETORSD= -5.622197E-01 WEIGHT= 1.570690D+00 (double torsional) +EHBP= 0.000000E+00 WEIGHT= 1.000000D+00 (SS bridges & dist. cnstr.) +ECORR4= -7.322901E+01 WEIGHT= 4.288700D-01 (multi-body) +ECORR5= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body) +ECORR6= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body) +EELLO= 6.810647E-01 WEIGHT= 1.603600D-01 (electrostatic-local) +ETURN3= 1.713159E+01 WEIGHT= 1.687220D+00 (turns, 3rd order) +ETURN4= -6.973771E-01 WEIGHT= 6.623000D-01 (turns, 4th order) +ETURN6= 0.000000E+00 WEIGHT= 0.000000D+00 (turns, 6th order) +ESCCOR= 0.000000E+00 WEIGHT= 0.000000D+00 (backbone-rotamer corr) +EDIHC= 0.000000E+00 (dihedral angle constraints) +ESS= 0.000000E+00 (disulfide-bridge intrinsic energy) +UCONST= 0.000000E+00 (Constraint energy) +EDFAD= 2.377498-315 (DFA distance energy) +EDFAT= 6.953299-310 (DFA torsion energy) +EDFAN= 1.976263-323 (DFA NCa energy) +EDFAB= 8.487983-314 (DFA Beta energy) +ETOT= -8.668793E+01 (total) +RMS deviation from the reference structure: 3.427 + % of native contacts: 50.000 + % of nonnative contacts: 72.727 + contact order: 0.401 + TM-score with the reference structure: 0.27 +Conformation # 113 + +Virtual-chain energies: + +EVDW= -5.466147E+01 WEIGHT= 1.352790D+00 (SC-SC) +EVDW2= 4.757848E+01 WEIGHT= 1.593040D+00 (SC-p) +EES= -9.467737E+01 WEIGHT= 7.153400D-01 (p-p) +EVDWPP= -2.411117E+01 WEIGHT= 1.137100D-01 (p-p VDW) +ESTR= 0.000000E+00 WEIGHT= 1.000000D+00 (stretching) +EBE= -4.038551E+01 WEIGHT= 1.138730D+00 (bending) +ESC= 5.535855E+01 WEIGHT= 1.625800D-01 (SC local) +ETORS= 9.825309E+00 WEIGHT= 1.985990D+00 (torsional) +ETORSD= 1.369719E+00 WEIGHT= 1.570690D+00 (double torsional) +EHBP= 0.000000E+00 WEIGHT= 1.000000D+00 (SS bridges & dist. cnstr.) +ECORR4= -6.550888E+01 WEIGHT= 4.288700D-01 (multi-body) +ECORR5= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body) +ECORR6= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body) +EELLO= 2.418963E+00 WEIGHT= 1.603600D-01 (electrostatic-local) +ETURN3= 1.783418E+01 WEIGHT= 1.687220D+00 (turns, 3rd order) +ETURN4= -5.376279E+00 WEIGHT= 6.623000D-01 (turns, 4th order) +ETURN6= 0.000000E+00 WEIGHT= 0.000000D+00 (turns, 6th order) +ESCCOR= 0.000000E+00 WEIGHT= 0.000000D+00 (backbone-rotamer corr) +EDIHC= 0.000000E+00 (dihedral angle constraints) +ESS= 0.000000E+00 (disulfide-bridge intrinsic energy) +UCONST= 0.000000E+00 (Constraint energy) +EDFAD= 2.377498-315 (DFA distance energy) +EDFAT= 6.953299-310 (DFA torsion energy) +EDFAN= 1.976263-323 (DFA NCa energy) +EDFAB= 8.487983-314 (DFA Beta energy) +ETOT= -8.512031E+01 (total) +RMS deviation from the reference structure: 4.896 + % of native contacts: 33.333 + % of nonnative contacts: 78.947 + contact order: 0.282 + TM-score with the reference structure: 0.27 +Conformation # 114 + +Virtual-chain energies: + +EVDW= -5.268079E+01 WEIGHT= 1.352790D+00 (SC-SC) +EVDW2= 4.741509E+01 WEIGHT= 1.593040D+00 (SC-p) +EES= -9.630309E+01 WEIGHT= 7.153400D-01 (p-p) +EVDWPP= -2.337914E+01 WEIGHT= 1.137100D-01 (p-p VDW) +ESTR= 0.000000E+00 WEIGHT= 1.000000D+00 (stretching) +EBE= -3.721869E+01 WEIGHT= 1.138730D+00 (bending) +ESC= 4.598975E+01 WEIGHT= 1.625800D-01 (SC local) +ETORS= 1.157598E+01 WEIGHT= 1.985990D+00 (torsional) +ETORSD= -4.446267E-01 WEIGHT= 1.570690D+00 (double torsional) +EHBP= 0.000000E+00 WEIGHT= 1.000000D+00 (SS bridges & dist. cnstr.) +ECORR4= -7.037918E+01 WEIGHT= 4.288700D-01 (multi-body) +ECORR5= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body) +ECORR6= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body) +EELLO= -1.677141E+00 WEIGHT= 1.603600D-01 (electrostatic-local) +ETURN3= 1.721241E+01 WEIGHT= 1.687220D+00 (turns, 3rd order) +ETURN4= -4.211287E+00 WEIGHT= 6.623000D-01 (turns, 4th order) +ETURN6= 0.000000E+00 WEIGHT= 0.000000D+00 (turns, 6th order) +ESCCOR= 0.000000E+00 WEIGHT= 0.000000D+00 (backbone-rotamer corr) +EDIHC= 0.000000E+00 (dihedral angle constraints) +ESS= 0.000000E+00 (disulfide-bridge intrinsic energy) +UCONST= 0.000000E+00 (Constraint energy) +EDFAD= 2.377498-315 (DFA distance energy) +EDFAT= 6.953299-310 (DFA torsion energy) +EDFAN= 1.976263-323 (DFA NCa energy) +EDFAB= 8.487983-314 (DFA Beta energy) +ETOT= -8.409392E+01 (total) +RMS deviation from the reference structure: 3.329 + % of native contacts: 16.667 + % of nonnative contacts: 85.714 + contact order: 0.312 + TM-score with the reference structure: 0.28 +Conformation # 115 + +Virtual-chain energies: + +EVDW= -4.851068E+01 WEIGHT= 1.352790D+00 (SC-SC) +EVDW2= 4.559134E+01 WEIGHT= 1.593040D+00 (SC-p) +EES= -8.666728E+01 WEIGHT= 7.153400D-01 (p-p) +EVDWPP= -3.081903E+01 WEIGHT= 1.137100D-01 (p-p VDW) +ESTR= 0.000000E+00 WEIGHT= 1.000000D+00 (stretching) +EBE= -4.144644E+01 WEIGHT= 1.138730D+00 (bending) +ESC= 3.433608E+01 WEIGHT= 1.625800D-01 (SC local) +ETORS= 8.961358E+00 WEIGHT= 1.985990D+00 (torsional) +ETORSD= 4.923647E-01 WEIGHT= 1.570690D+00 (double torsional) +EHBP= 0.000000E+00 WEIGHT= 1.000000D+00 (SS bridges & dist. cnstr.) +ECORR4= -6.015026E+01 WEIGHT= 4.288700D-01 (multi-body) +ECORR5= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body) +ECORR6= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body) +EELLO= -2.200885E+00 WEIGHT= 1.603600D-01 (electrostatic-local) +ETURN3= 1.436547E+01 WEIGHT= 1.687220D+00 (turns, 3rd order) +ETURN4= -2.211555E+00 WEIGHT= 6.623000D-01 (turns, 4th order) +ETURN6= 0.000000E+00 WEIGHT= 0.000000D+00 (turns, 6th order) +ESCCOR= 0.000000E+00 WEIGHT= 0.000000D+00 (backbone-rotamer corr) +EDIHC= 0.000000E+00 (dihedral angle constraints) +ESS= 0.000000E+00 (disulfide-bridge intrinsic energy) +UCONST= 0.000000E+00 (Constraint energy) +EDFAD= 2.377498-315 (DFA distance energy) +EDFAT= 6.953299-310 (DFA torsion energy) +EDFAN= 1.976263-323 (DFA NCa energy) +EDFAB= 8.487983-314 (DFA Beta energy) +ETOT= -8.491695E+01 (total) +RMS deviation from the reference structure: 4.101 + % of native contacts: 33.333 + % of nonnative contacts: 76.471 + contact order: 0.321 + TM-score with the reference structure: 0.31 +Conformation # 116 + +Virtual-chain energies: + +EVDW= -5.346322E+01 WEIGHT= 1.352790D+00 (SC-SC) +EVDW2= 5.023761E+01 WEIGHT= 1.593040D+00 (SC-p) +EES= -9.998350E+01 WEIGHT= 7.153400D-01 (p-p) +EVDWPP= -2.376509E+01 WEIGHT= 1.137100D-01 (p-p VDW) +ESTR= 0.000000E+00 WEIGHT= 1.000000D+00 (stretching) +EBE= -3.884940E+01 WEIGHT= 1.138730D+00 (bending) +ESC= 4.421117E+01 WEIGHT= 1.625800D-01 (SC local) +ETORS= 8.581503E+00 WEIGHT= 1.985990D+00 (torsional) +ETORSD= 9.189180E-01 WEIGHT= 1.570690D+00 (double torsional) +EHBP= 0.000000E+00 WEIGHT= 1.000000D+00 (SS bridges & dist. cnstr.) +ECORR4= -7.527250E+01 WEIGHT= 4.288700D-01 (multi-body) +ECORR5= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body) +ECORR6= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body) +EELLO= -3.767583E+00 WEIGHT= 1.603600D-01 (electrostatic-local) +ETURN3= 1.842217E+01 WEIGHT= 1.687220D+00 (turns, 3rd order) +ETURN4= -3.985463E+00 WEIGHT= 6.623000D-01 (turns, 4th order) +ETURN6= 0.000000E+00 WEIGHT= 0.000000D+00 (turns, 6th order) +ESCCOR= 0.000000E+00 WEIGHT= 0.000000D+00 (backbone-rotamer corr) +EDIHC= 0.000000E+00 (dihedral angle constraints) +ESS= 0.000000E+00 (disulfide-bridge intrinsic energy) +UCONST= 0.000000E+00 (Constraint energy) +EDFAD= 2.377498-315 (DFA distance energy) +EDFAT= 6.953299-310 (DFA torsion energy) +EDFAN= 1.976263-323 (DFA NCa energy) +EDFAB= 8.487983-314 (DFA Beta energy) +ETOT= -8.952713E+01 (total) +RMS deviation from the reference structure: 2.605 + % of native contacts: 50.000 + % of nonnative contacts: 71.429 + contact order: 0.290 + TM-score with the reference structure: 0.30 +Conformation # 117 + +Virtual-chain energies: + +EVDW= -5.380388E+01 WEIGHT= 1.352790D+00 (SC-SC) +EVDW2= 4.929089E+01 WEIGHT= 1.593040D+00 (SC-p) +EES= -1.007499E+02 WEIGHT= 7.153400D-01 (p-p) +EVDWPP= -2.522975E+01 WEIGHT= 1.137100D-01 (p-p VDW) +ESTR= 0.000000E+00 WEIGHT= 1.000000D+00 (stretching) +EBE= -3.888611E+01 WEIGHT= 1.138730D+00 (bending) +ESC= 4.005202E+01 WEIGHT= 1.625800D-01 (SC local) +ETORS= 9.586364E+00 WEIGHT= 1.985990D+00 (torsional) +ETORSD= 1.416008E-01 WEIGHT= 1.570690D+00 (double torsional) +EHBP= 0.000000E+00 WEIGHT= 1.000000D+00 (SS bridges & dist. cnstr.) +ECORR4= -7.570784E+01 WEIGHT= 4.288700D-01 (multi-body) +ECORR5= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body) +ECORR6= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body) +EELLO= -5.751687E+00 WEIGHT= 1.603600D-01 (electrostatic-local) +ETURN3= 1.841096E+01 WEIGHT= 1.687220D+00 (turns, 3rd order) +ETURN4= -2.063106E+00 WEIGHT= 6.623000D-01 (turns, 4th order) +ETURN6= 0.000000E+00 WEIGHT= 0.000000D+00 (turns, 6th order) +ESCCOR= 0.000000E+00 WEIGHT= 0.000000D+00 (backbone-rotamer corr) +EDIHC= 0.000000E+00 (dihedral angle constraints) +ESS= 0.000000E+00 (disulfide-bridge intrinsic energy) +UCONST= 0.000000E+00 (Constraint energy) +EDFAD= 2.377498-315 (DFA distance energy) +EDFAT= 6.953299-310 (DFA torsion energy) +EDFAN= 1.976263-323 (DFA NCa energy) +EDFAB= 8.487983-314 (DFA Beta energy) +ETOT= -9.140481E+01 (total) +RMS deviation from the reference structure: 2.858 + % of native contacts: 50.000 + % of nonnative contacts: 72.727 + contact order: 0.289 + TM-score with the reference structure: 0.31 +Conformation # 118 + +Virtual-chain energies: + +EVDW= -5.473366E+01 WEIGHT= 1.352790D+00 (SC-SC) +EVDW2= 4.748520E+01 WEIGHT= 1.593040D+00 (SC-p) +EES= -9.408364E+01 WEIGHT= 7.153400D-01 (p-p) +EVDWPP= -2.371021E+01 WEIGHT= 1.137100D-01 (p-p VDW) +ESTR= 0.000000E+00 WEIGHT= 1.000000D+00 (stretching) +EBE= -3.653478E+01 WEIGHT= 1.138730D+00 (bending) +ESC= 5.576976E+01 WEIGHT= 1.625800D-01 (SC local) +ETORS= 8.362834E+00 WEIGHT= 1.985990D+00 (torsional) +ETORSD= -8.256213E-01 WEIGHT= 1.570690D+00 (double torsional) +EHBP= 0.000000E+00 WEIGHT= 1.000000D+00 (SS bridges & dist. cnstr.) +ECORR4= -7.182680E+01 WEIGHT= 4.288700D-01 (multi-body) +ECORR5= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body) +ECORR6= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body) +EELLO= -4.795840E+00 WEIGHT= 1.603600D-01 (electrostatic-local) +ETURN3= 1.913738E+01 WEIGHT= 1.687220D+00 (turns, 3rd order) +ETURN4= -6.272803E-01 WEIGHT= 6.623000D-01 (turns, 4th order) +ETURN6= 0.000000E+00 WEIGHT= 0.000000D+00 (turns, 6th order) +ESCCOR= 0.000000E+00 WEIGHT= 0.000000D+00 (backbone-rotamer corr) +EDIHC= 0.000000E+00 (dihedral angle constraints) +ESS= 0.000000E+00 (disulfide-bridge intrinsic energy) +UCONST= 0.000000E+00 (Constraint energy) +EDFAD= 2.377498-315 (DFA distance energy) +EDFAT= 6.953299-310 (DFA torsion energy) +EDFAN= 1.976263-323 (DFA NCa energy) +EDFAB= 8.487983-314 (DFA Beta energy) +ETOT= -8.531961E+01 (total) +RMS deviation from the reference structure: 6.958 + % of native contacts: 33.333 + % of nonnative contacts: 78.947 + contact order: 0.242 + TM-score with the reference structure: 0.32 +Conformation # 119 + +Virtual-chain energies: + +EVDW= -5.331289E+01 WEIGHT= 1.352790D+00 (SC-SC) +EVDW2= 5.197919E+01 WEIGHT= 1.593040D+00 (SC-p) +EES= -1.034185E+02 WEIGHT= 7.153400D-01 (p-p) +EVDWPP= -2.415722E+01 WEIGHT= 1.137100D-01 (p-p VDW) +ESTR= 0.000000E+00 WEIGHT= 1.000000D+00 (stretching) +EBE= -3.593423E+01 WEIGHT= 1.138730D+00 (bending) +ESC= 3.257268E+01 WEIGHT= 1.625800D-01 (SC local) +ETORS= 9.460077E+00 WEIGHT= 1.985990D+00 (torsional) +ETORSD= -2.555538E-01 WEIGHT= 1.570690D+00 (double torsional) +EHBP= 0.000000E+00 WEIGHT= 1.000000D+00 (SS bridges & dist. cnstr.) +ECORR4= -7.828408E+01 WEIGHT= 4.288700D-01 (multi-body) +ECORR5= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body) +ECORR6= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body) +EELLO= -5.731395E+00 WEIGHT= 1.603600D-01 (electrostatic-local) +ETURN3= 1.829565E+01 WEIGHT= 1.687220D+00 (turns, 3rd order) +ETURN4= -2.497159E+00 WEIGHT= 6.623000D-01 (turns, 4th order) +ETURN6= 0.000000E+00 WEIGHT= 0.000000D+00 (turns, 6th order) +ESCCOR= 0.000000E+00 WEIGHT= 0.000000D+00 (backbone-rotamer corr) +EDIHC= 0.000000E+00 (dihedral angle constraints) +ESS= 0.000000E+00 (disulfide-bridge intrinsic energy) +UCONST= 0.000000E+00 (Constraint energy) +EDFAD= 2.377498-315 (DFA distance energy) +EDFAT= 6.953299-310 (DFA torsion energy) +EDFAN= 1.976263-323 (DFA NCa energy) +EDFAB= 8.487983-314 (DFA Beta energy) +ETOT= -8.855785E+01 (total) +RMS deviation from the reference structure: 2.345 + % of native contacts: 50.000 + % of nonnative contacts: 72.727 + contact order: 0.339 + TM-score with the reference structure: 0.30 +Conformation # 120 + +Virtual-chain energies: + +EVDW= -5.245759E+01 WEIGHT= 1.352790D+00 (SC-SC) +EVDW2= 4.785545E+01 WEIGHT= 1.593040D+00 (SC-p) +EES= -9.565685E+01 WEIGHT= 7.153400D-01 (p-p) +EVDWPP= -1.726442E+01 WEIGHT= 1.137100D-01 (p-p VDW) +ESTR= 0.000000E+00 WEIGHT= 1.000000D+00 (stretching) +EBE= -3.671211E+01 WEIGHT= 1.138730D+00 (bending) +ESC= 4.104623E+01 WEIGHT= 1.625800D-01 (SC local) +ETORS= 1.056144E+01 WEIGHT= 1.985990D+00 (torsional) +ETORSD= -1.657052E+00 WEIGHT= 1.570690D+00 (double torsional) +EHBP= 0.000000E+00 WEIGHT= 1.000000D+00 (SS bridges & dist. cnstr.) +ECORR4= -6.969030E+01 WEIGHT= 4.288700D-01 (multi-body) +ECORR5= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body) +ECORR6= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body) +EELLO= -1.870574E+00 WEIGHT= 1.603600D-01 (electrostatic-local) +ETURN3= 1.838355E+01 WEIGHT= 1.687220D+00 (turns, 3rd order) +ETURN4= -3.707941E+00 WEIGHT= 6.623000D-01 (turns, 4th order) +ETURN6= 0.000000E+00 WEIGHT= 0.000000D+00 (turns, 6th order) +ESCCOR= 0.000000E+00 WEIGHT= 0.000000D+00 (backbone-rotamer corr) +EDIHC= 0.000000E+00 (dihedral angle constraints) +ESS= 0.000000E+00 (disulfide-bridge intrinsic energy) +UCONST= 0.000000E+00 (Constraint energy) +EDFAD= 2.377498-315 (DFA distance energy) +EDFAT= 6.953299-310 (DFA torsion energy) +EDFAN= 1.976263-323 (DFA NCa energy) +EDFAB= 8.487983-314 (DFA Beta energy) +ETOT= -8.350516E+01 (total) +RMS deviation from the reference structure: 4.702 + % of native contacts: 25.000 + % of nonnative contacts: 85.714 + contact order: 0.333 + TM-score with the reference structure: 0.31 +Conformation # 121 + +Virtual-chain energies: + +EVDW= -5.255036E+01 WEIGHT= 1.352790D+00 (SC-SC) +EVDW2= 4.319276E+01 WEIGHT= 1.593040D+00 (SC-p) +EES= -8.049037E+01 WEIGHT= 7.153400D-01 (p-p) +EVDWPP= -2.373347E+01 WEIGHT= 1.137100D-01 (p-p VDW) +ESTR= 0.000000E+00 WEIGHT= 1.000000D+00 (stretching) +EBE= -3.757464E+01 WEIGHT= 1.138730D+00 (bending) +ESC= 4.334404E+01 WEIGHT= 1.625800D-01 (SC local) +ETORS= 8.310507E+00 WEIGHT= 1.985990D+00 (torsional) +ETORSD= -1.922061E+00 WEIGHT= 1.570690D+00 (double torsional) +EHBP= 0.000000E+00 WEIGHT= 1.000000D+00 (SS bridges & dist. cnstr.) +ECORR4= -5.967022E+01 WEIGHT= 4.288700D-01 (multi-body) +ECORR5= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body) +ECORR6= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body) +EELLO= -8.513161E-01 WEIGHT= 1.603600D-01 (electrostatic-local) +ETURN3= 1.663557E+01 WEIGHT= 1.687220D+00 (turns, 3rd order) +ETURN4= -3.138070E+00 WEIGHT= 6.623000D-01 (turns, 4th order) +ETURN6= 0.000000E+00 WEIGHT= 0.000000D+00 (turns, 6th order) +ESCCOR= 0.000000E+00 WEIGHT= 0.000000D+00 (backbone-rotamer corr) +EDIHC= 0.000000E+00 (dihedral angle constraints) +ESS= 0.000000E+00 (disulfide-bridge intrinsic energy) +UCONST= 0.000000E+00 (Constraint energy) +EDFAD= 2.377498-315 (DFA distance energy) +EDFAT= 6.953299-310 (DFA torsion energy) +EDFAN= 1.976263-323 (DFA NCa energy) +EDFAB= 8.487983-314 (DFA Beta energy) +ETOT= -8.455116E+01 (total) +RMS deviation from the reference structure: 5.585 + % of native contacts: 41.667 + % of nonnative contacts: 76.190 + contact order: 0.390 + TM-score with the reference structure: 0.31 +Conformation # 122 + +Virtual-chain energies: + +EVDW= -5.397051E+01 WEIGHT= 1.352790D+00 (SC-SC) +EVDW2= 4.522836E+01 WEIGHT= 1.593040D+00 (SC-p) +EES= -8.637573E+01 WEIGHT= 7.153400D-01 (p-p) +EVDWPP= -3.004786E+01 WEIGHT= 1.137100D-01 (p-p VDW) +ESTR= 0.000000E+00 WEIGHT= 1.000000D+00 (stretching) +EBE= -3.737668E+01 WEIGHT= 1.138730D+00 (bending) +ESC= 4.173907E+01 WEIGHT= 1.625800D-01 (SC local) +ETORS= 7.419750E+00 WEIGHT= 1.985990D+00 (torsional) +ETORSD= 7.381508E-01 WEIGHT= 1.570690D+00 (double torsional) +EHBP= 0.000000E+00 WEIGHT= 1.000000D+00 (SS bridges & dist. cnstr.) +ECORR4= -6.527590E+01 WEIGHT= 4.288700D-01 (multi-body) +ECORR5= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body) +ECORR6= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body) +EELLO= -4.332358E+00 WEIGHT= 1.603600D-01 (electrostatic-local) +ETURN3= 1.653681E+01 WEIGHT= 1.687220D+00 (turns, 3rd order) +ETURN4= -1.917443E+00 WEIGHT= 6.623000D-01 (turns, 4th order) +ETURN6= 0.000000E+00 WEIGHT= 0.000000D+00 (turns, 6th order) +ESCCOR= 0.000000E+00 WEIGHT= 0.000000D+00 (backbone-rotamer corr) +EDIHC= 0.000000E+00 (dihedral angle constraints) +ESS= 0.000000E+00 (disulfide-bridge intrinsic energy) +UCONST= 0.000000E+00 (Constraint energy) +EDFAD= 2.377498-315 (DFA distance energy) +EDFAT= 6.953299-310 (DFA torsion energy) +EDFAN= 1.976263-323 (DFA NCa energy) +EDFAB= 8.487983-314 (DFA Beta energy) +ETOT= -8.810428E+01 (total) +RMS deviation from the reference structure: 2.962 + % of native contacts: 50.000 + % of nonnative contacts: 72.727 + contact order: 0.312 + TM-score with the reference structure: 0.30 +Conformation # 123 + +Virtual-chain energies: + +EVDW= -4.818315E+01 WEIGHT= 1.352790D+00 (SC-SC) +EVDW2= 4.869225E+01 WEIGHT= 1.593040D+00 (SC-p) +EES= -9.087120E+01 WEIGHT= 7.153400D-01 (p-p) +EVDWPP= -3.098304E+01 WEIGHT= 1.137100D-01 (p-p VDW) +ESTR= 0.000000E+00 WEIGHT= 1.000000D+00 (stretching) +EBE= -3.900804E+01 WEIGHT= 1.138730D+00 (bending) +ESC= 2.979270E+01 WEIGHT= 1.625800D-01 (SC local) +ETORS= 1.048510E+01 WEIGHT= 1.985990D+00 (torsional) +ETORSD= -2.670095E+00 WEIGHT= 1.570690D+00 (double torsional) +EHBP= 0.000000E+00 WEIGHT= 1.000000D+00 (SS bridges & dist. cnstr.) +ECORR4= -6.762313E+01 WEIGHT= 4.288700D-01 (multi-body) +ECORR5= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body) +ECORR6= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body) +EELLO= 1.112760E+00 WEIGHT= 1.603600D-01 (electrostatic-local) +ETURN3= 1.350125E+01 WEIGHT= 1.687220D+00 (turns, 3rd order) +ETURN4= -1.989297E-01 WEIGHT= 6.623000D-01 (turns, 4th order) +ETURN6= 0.000000E+00 WEIGHT= 0.000000D+00 (turns, 6th order) +ESCCOR= 0.000000E+00 WEIGHT= 0.000000D+00 (backbone-rotamer corr) +EDIHC= 0.000000E+00 (dihedral angle constraints) +ESS= 0.000000E+00 (disulfide-bridge intrinsic energy) +UCONST= 0.000000E+00 (Constraint energy) +EDFAD= 2.377498-315 (DFA distance energy) +EDFAT= 6.953299-310 (DFA torsion energy) +EDFAN= 1.976263-323 (DFA NCa energy) +EDFAB= 8.487983-314 (DFA Beta energy) +ETOT= -8.526164E+01 (total) +RMS deviation from the reference structure: 4.105 + % of native contacts: 50.000 + % of nonnative contacts: 70.000 + contact order: 0.357 + TM-score with the reference structure: 0.31 +Conformation # 124 + +Virtual-chain energies: + +EVDW= -5.216522E+01 WEIGHT= 1.352790D+00 (SC-SC) +EVDW2= 5.397929E+01 WEIGHT= 1.593040D+00 (SC-p) +EES= -1.099481E+02 WEIGHT= 7.153400D-01 (p-p) +EVDWPP= -3.059393E+01 WEIGHT= 1.137100D-01 (p-p VDW) +ESTR= 0.000000E+00 WEIGHT= 1.000000D+00 (stretching) +EBE= -4.016532E+01 WEIGHT= 1.138730D+00 (bending) +ESC= 4.743461E+01 WEIGHT= 1.625800D-01 (SC local) +ETORS= 1.139471E+01 WEIGHT= 1.985990D+00 (torsional) +ETORSD= -1.010814E+00 WEIGHT= 1.570690D+00 (double torsional) +EHBP= 0.000000E+00 WEIGHT= 1.000000D+00 (SS bridges & dist. cnstr.) +ECORR4= -8.096292E+01 WEIGHT= 4.288700D-01 (multi-body) +ECORR5= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body) +ECORR6= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body) +EELLO= -4.274862E+00 WEIGHT= 1.603600D-01 (electrostatic-local) +ETURN3= 1.929948E+01 WEIGHT= 1.687220D+00 (turns, 3rd order) +ETURN4= -2.804395E+00 WEIGHT= 6.623000D-01 (turns, 4th order) +ETURN6= 0.000000E+00 WEIGHT= 0.000000D+00 (turns, 6th order) +ESCCOR= 0.000000E+00 WEIGHT= 0.000000D+00 (backbone-rotamer corr) +EDIHC= 0.000000E+00 (dihedral angle constraints) +ESS= 0.000000E+00 (disulfide-bridge intrinsic energy) +UCONST= 0.000000E+00 (Constraint energy) +EDFAD= 2.377498-315 (DFA distance energy) +EDFAT= 6.953299-310 (DFA torsion energy) +EDFAN= 1.976263-323 (DFA NCa energy) +EDFAB= 8.487983-314 (DFA Beta energy) +ETOT= -8.839295E+01 (total) +RMS deviation from the reference structure: 2.961 + % of native contacts: 25.000 + % of nonnative contacts: 85.000 + contact order: 0.250 + TM-score with the reference structure: 0.28 +Conformation # 125 + +Virtual-chain energies: + +EVDW= -5.078950E+01 WEIGHT= 1.352790D+00 (SC-SC) +EVDW2= 4.913631E+01 WEIGHT= 1.593040D+00 (SC-p) +EES= -9.987614E+01 WEIGHT= 7.153400D-01 (p-p) +EVDWPP= -2.172987E+01 WEIGHT= 1.137100D-01 (p-p VDW) +ESTR= 0.000000E+00 WEIGHT= 1.000000D+00 (stretching) +EBE= -4.042024E+01 WEIGHT= 1.138730D+00 (bending) +ESC= 4.081295E+01 WEIGHT= 1.625800D-01 (SC local) +ETORS= 1.022220E+01 WEIGHT= 1.985990D+00 (torsional) +ETORSD= 6.869584E-02 WEIGHT= 1.570690D+00 (double torsional) +EHBP= 0.000000E+00 WEIGHT= 1.000000D+00 (SS bridges & dist. cnstr.) +ECORR4= -7.216795E+01 WEIGHT= 4.288700D-01 (multi-body) +ECORR5= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body) +ECORR6= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body) +EELLO= -5.321539E+00 WEIGHT= 1.603600D-01 (electrostatic-local) +ETURN3= 1.944246E+01 WEIGHT= 1.687220D+00 (turns, 3rd order) +ETURN4= -2.186088E+00 WEIGHT= 6.623000D-01 (turns, 4th order) +ETURN6= 0.000000E+00 WEIGHT= 0.000000D+00 (turns, 6th order) +ESCCOR= 0.000000E+00 WEIGHT= 0.000000D+00 (backbone-rotamer corr) +EDIHC= 0.000000E+00 (dihedral angle constraints) +ESS= 0.000000E+00 (disulfide-bridge intrinsic energy) +UCONST= 0.000000E+00 (Constraint energy) +EDFAD= 2.377498-315 (DFA distance energy) +EDFAT= 6.953299-310 (DFA torsion energy) +EDFAN= 1.976263-323 (DFA NCa energy) +EDFAB= 8.487983-314 (DFA Beta energy) +ETOT= -8.377916E+01 (total) +RMS deviation from the reference structure: 4.191 + % of native contacts: 33.333 + % of nonnative contacts: 80.952 + contact order: 0.294 + TM-score with the reference structure: 0.36 +Conformation # 126 + +Virtual-chain energies: + +EVDW= -5.315045E+01 WEIGHT= 1.352790D+00 (SC-SC) +EVDW2= 4.487287E+01 WEIGHT= 1.593040D+00 (SC-p) +EES= -8.414539E+01 WEIGHT= 7.153400D-01 (p-p) +EVDWPP= -2.008801E+01 WEIGHT= 1.137100D-01 (p-p VDW) +ESTR= 0.000000E+00 WEIGHT= 1.000000D+00 (stretching) +EBE= -3.792331E+01 WEIGHT= 1.138730D+00 (bending) +ESC= 4.397455E+01 WEIGHT= 1.625800D-01 (SC local) +ETORS= 6.827420E+00 WEIGHT= 1.985990D+00 (torsional) +ETORSD= 2.220290E+00 WEIGHT= 1.570690D+00 (double torsional) +EHBP= 0.000000E+00 WEIGHT= 1.000000D+00 (SS bridges & dist. cnstr.) +ECORR4= -6.174877E+01 WEIGHT= 4.288700D-01 (multi-body) +ECORR5= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body) +ECORR6= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body) +EELLO= -3.627230E+00 WEIGHT= 1.603600D-01 (electrostatic-local) +ETURN3= 1.563713E+01 WEIGHT= 1.687220D+00 (turns, 3rd order) +ETURN4= -4.295362E+00 WEIGHT= 6.623000D-01 (turns, 4th order) +ETURN6= 0.000000E+00 WEIGHT= 0.000000D+00 (turns, 6th order) +ESCCOR= 0.000000E+00 WEIGHT= 0.000000D+00 (backbone-rotamer corr) +EDIHC= 0.000000E+00 (dihedral angle constraints) +ESS= 0.000000E+00 (disulfide-bridge intrinsic energy) +UCONST= 0.000000E+00 (Constraint energy) +EDFAD= 2.377498-315 (DFA distance energy) +EDFAT= 6.953299-310 (DFA torsion energy) +EDFAN= 1.976263-323 (DFA NCa energy) +EDFAB= 8.487983-314 (DFA Beta energy) +ETOT= -8.540774E+01 (total) +RMS deviation from the reference structure: 5.716 + % of native contacts: 33.333 + % of nonnative contacts: 80.000 + contact order: 0.361 + TM-score with the reference structure: 0.29 +Conformation # 127 + +Virtual-chain energies: + +EVDW= -5.219792E+01 WEIGHT= 1.352790D+00 (SC-SC) +EVDW2= 4.767414E+01 WEIGHT= 1.593040D+00 (SC-p) +EES= -8.382230E+01 WEIGHT= 7.153400D-01 (p-p) +EVDWPP= -4.109974E+01 WEIGHT= 1.137100D-01 (p-p VDW) +ESTR= 0.000000E+00 WEIGHT= 1.000000D+00 (stretching) +EBE= -4.128860E+01 WEIGHT= 1.138730D+00 (bending) +ESC= 3.503076E+01 WEIGHT= 1.625800D-01 (SC local) +ETORS= 8.940973E+00 WEIGHT= 1.985990D+00 (torsional) +ETORSD= 6.380910E-01 WEIGHT= 1.570690D+00 (double torsional) +EHBP= 0.000000E+00 WEIGHT= 1.000000D+00 (SS bridges & dist. cnstr.) +ECORR4= -5.982760E+01 WEIGHT= 4.288700D-01 (multi-body) +ECORR5= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body) +ECORR6= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body) +EELLO= -5.301500E+00 WEIGHT= 1.603600D-01 (electrostatic-local) +ETURN3= 1.491043E+01 WEIGHT= 1.687220D+00 (turns, 3rd order) +ETURN4= -1.548721E+00 WEIGHT= 6.623000D-01 (turns, 4th order) +ETURN6= 0.000000E+00 WEIGHT= 0.000000D+00 (turns, 6th order) +ESCCOR= 0.000000E+00 WEIGHT= 0.000000D+00 (backbone-rotamer corr) +EDIHC= 0.000000E+00 (dihedral angle constraints) +ESS= 0.000000E+00 (disulfide-bridge intrinsic energy) +UCONST= 0.000000E+00 (Constraint energy) +EDFAD= 2.377498-315 (DFA distance energy) +EDFAT= 6.953299-310 (DFA torsion energy) +EDFAN= 1.976263-323 (DFA NCa energy) +EDFAB= 8.487983-314 (DFA Beta energy) +ETOT= -8.424020E+01 (total) +RMS deviation from the reference structure: 3.844 + % of native contacts: 41.667 + % of nonnative contacts: 76.190 + contact order: 0.335 + TM-score with the reference structure: 0.27 +Conformation # 128 + +Virtual-chain energies: + +EVDW= -5.109617E+01 WEIGHT= 1.352790D+00 (SC-SC) +EVDW2= 4.613037E+01 WEIGHT= 1.593040D+00 (SC-p) +EES= -9.116321E+01 WEIGHT= 7.153400D-01 (p-p) +EVDWPP= -2.004613E+01 WEIGHT= 1.137100D-01 (p-p VDW) +ESTR= 0.000000E+00 WEIGHT= 1.000000D+00 (stretching) +EBE= -3.783319E+01 WEIGHT= 1.138730D+00 (bending) +ESC= 3.334490E+01 WEIGHT= 1.625800D-01 (SC local) +ETORS= 8.888703E+00 WEIGHT= 1.985990D+00 (torsional) +ETORSD= -1.266939E+00 WEIGHT= 1.570690D+00 (double torsional) +EHBP= 0.000000E+00 WEIGHT= 1.000000D+00 (SS bridges & dist. cnstr.) +ECORR4= -6.914308E+01 WEIGHT= 4.288700D-01 (multi-body) +ECORR5= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body) +ECORR6= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body) +EELLO= -3.941928E+00 WEIGHT= 1.603600D-01 (electrostatic-local) +ETURN3= 1.833628E+01 WEIGHT= 1.687220D+00 (turns, 3rd order) +ETURN4= -2.484904E+00 WEIGHT= 6.623000D-01 (turns, 4th order) +ETURN6= 0.000000E+00 WEIGHT= 0.000000D+00 (turns, 6th order) +ESCCOR= 0.000000E+00 WEIGHT= 0.000000D+00 (backbone-rotamer corr) +EDIHC= 0.000000E+00 (dihedral angle constraints) +ESS= 0.000000E+00 (disulfide-bridge intrinsic energy) +UCONST= 0.000000E+00 (Constraint energy) +EDFAD= 2.377498-315 (DFA distance energy) +EDFAT= 6.953299-310 (DFA torsion energy) +EDFAN= 1.976263-323 (DFA NCa energy) +EDFAB= 8.487983-314 (DFA Beta energy) +ETOT= -8.611861E+01 (total) +RMS deviation from the reference structure: 6.516 + % of native contacts: 16.667 + % of nonnative contacts: 88.889 + contact order: 0.240 + TM-score with the reference structure: 0.29 +Conformation # 129 + +Virtual-chain energies: + +EVDW= -4.991929E+01 WEIGHT= 1.352790D+00 (SC-SC) +EVDW2= 5.429486E+01 WEIGHT= 1.593040D+00 (SC-p) +EES= -1.131385E+02 WEIGHT= 7.153400D-01 (p-p) +EVDWPP= -1.881675E+01 WEIGHT= 1.137100D-01 (p-p VDW) +ESTR= 0.000000E+00 WEIGHT= 1.000000D+00 (stretching) +EBE= -4.192360E+01 WEIGHT= 1.138730D+00 (bending) +ESC= 3.779318E+01 WEIGHT= 1.625800D-01 (SC local) +ETORS= 1.133681E+01 WEIGHT= 1.985990D+00 (torsional) +ETORSD= 1.496256E-01 WEIGHT= 1.570690D+00 (double torsional) +EHBP= 0.000000E+00 WEIGHT= 1.000000D+00 (SS bridges & dist. cnstr.) +ECORR4= -8.165029E+01 WEIGHT= 4.288700D-01 (multi-body) +ECORR5= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body) +ECORR6= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body) +EELLO= -6.689023E+00 WEIGHT= 1.603600D-01 (electrostatic-local) +ETURN3= 2.142960E+01 WEIGHT= 1.687220D+00 (turns, 3rd order) +ETURN4= -3.161631E+00 WEIGHT= 6.623000D-01 (turns, 4th order) +ETURN6= 0.000000E+00 WEIGHT= 0.000000D+00 (turns, 6th order) +ESCCOR= 0.000000E+00 WEIGHT= 0.000000D+00 (backbone-rotamer corr) +EDIHC= 0.000000E+00 (dihedral angle constraints) +ESS= 0.000000E+00 (disulfide-bridge intrinsic energy) +UCONST= 0.000000E+00 (Constraint energy) +EDFAD= 2.377498-315 (DFA distance energy) +EDFAT= 6.953299-310 (DFA torsion energy) +EDFAN= 1.976263-323 (DFA NCa energy) +EDFAB= 8.487983-314 (DFA Beta energy) +ETOT= -8.498152E+01 (total) +RMS deviation from the reference structure: 4.133 + % of native contacts: 33.333 + % of nonnative contacts: 80.952 + contact order: 0.292 + TM-score with the reference structure: 0.33 +Conformation # 130 + +Virtual-chain energies: + +EVDW= -5.390344E+01 WEIGHT= 1.352790D+00 (SC-SC) +EVDW2= 4.964969E+01 WEIGHT= 1.593040D+00 (SC-p) +EES= -1.013023E+02 WEIGHT= 7.153400D-01 (p-p) +EVDWPP= -1.566425E+01 WEIGHT= 1.137100D-01 (p-p VDW) +ESTR= 0.000000E+00 WEIGHT= 1.000000D+00 (stretching) +EBE= -4.096682E+01 WEIGHT= 1.138730D+00 (bending) +ESC= 4.208028E+01 WEIGHT= 1.625800D-01 (SC local) +ETORS= 1.040709E+01 WEIGHT= 1.985990D+00 (torsional) +ETORSD= -3.597037E-01 WEIGHT= 1.570690D+00 (double torsional) +EHBP= 0.000000E+00 WEIGHT= 1.000000D+00 (SS bridges & dist. cnstr.) +ECORR4= -6.941283E+01 WEIGHT= 4.288700D-01 (multi-body) +ECORR5= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body) +ECORR6= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body) +EELLO= 1.127071E+00 WEIGHT= 1.603600D-01 (electrostatic-local) +ETURN3= 1.979077E+01 WEIGHT= 1.687220D+00 (turns, 3rd order) +ETURN4= -2.398058E+00 WEIGHT= 6.623000D-01 (turns, 4th order) +ETURN6= 0.000000E+00 WEIGHT= 0.000000D+00 (turns, 6th order) +ESCCOR= 0.000000E+00 WEIGHT= 0.000000D+00 (backbone-rotamer corr) +EDIHC= 0.000000E+00 (dihedral angle constraints) +ESS= 0.000000E+00 (disulfide-bridge intrinsic energy) +UCONST= 0.000000E+00 (Constraint energy) +EDFAD= 2.377498-315 (DFA distance energy) +EDFAT= 6.953299-310 (DFA torsion energy) +EDFAN= 1.976263-323 (DFA NCa energy) +EDFAB= 8.487983-314 (DFA Beta energy) +ETOT= -8.556338E+01 (total) +RMS deviation from the reference structure: 4.737 + % of native contacts: 25.000 + % of nonnative contacts: 84.211 + contact order: 0.323 + TM-score with the reference structure: 0.29 +Conformation # 131 + +Virtual-chain energies: + +EVDW= -4.897358E+01 WEIGHT= 1.352790D+00 (SC-SC) +EVDW2= 3.915164E+01 WEIGHT= 1.593040D+00 (SC-p) +EES= -7.616403E+01 WEIGHT= 7.153400D-01 (p-p) +EVDWPP= -1.790274E+01 WEIGHT= 1.137100D-01 (p-p VDW) +ESTR= 0.000000E+00 WEIGHT= 1.000000D+00 (stretching) +EBE= -3.976098E+01 WEIGHT= 1.138730D+00 (bending) +ESC= 3.234260E+01 WEIGHT= 1.625800D-01 (SC local) +ETORS= 8.585411E+00 WEIGHT= 1.985990D+00 (torsional) +ETORSD= -1.311838E+00 WEIGHT= 1.570690D+00 (double torsional) +EHBP= 0.000000E+00 WEIGHT= 1.000000D+00 (SS bridges & dist. cnstr.) +ECORR4= -5.707833E+01 WEIGHT= 4.288700D-01 (multi-body) +ECORR5= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body) +ECORR6= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body) +EELLO= 9.255826E-01 WEIGHT= 1.603600D-01 (electrostatic-local) +ETURN3= 1.512623E+01 WEIGHT= 1.687220D+00 (turns, 3rd order) +ETURN4= -2.021034E+00 WEIGHT= 6.623000D-01 (turns, 4th order) +ETURN6= 0.000000E+00 WEIGHT= 0.000000D+00 (turns, 6th order) +ESCCOR= 0.000000E+00 WEIGHT= 0.000000D+00 (backbone-rotamer corr) +EDIHC= 0.000000E+00 (dihedral angle constraints) +ESS= 0.000000E+00 (disulfide-bridge intrinsic energy) +UCONST= 0.000000E+00 (Constraint energy) +EDFAD= 2.377498-315 (DFA distance energy) +EDFAT= 6.953299-310 (DFA torsion energy) +EDFAN= 1.976263-323 (DFA NCa energy) +EDFAB= 8.487983-314 (DFA Beta energy) +ETOT= -8.557646E+01 (total) +RMS deviation from the reference structure: 4.777 + % of native contacts: 16.667 + % of nonnative contacts: 85.714 + contact order: 0.419 + TM-score with the reference structure: 0.31 +Conformation # 132 + +Virtual-chain energies: + +EVDW= -5.235574E+01 WEIGHT= 1.352790D+00 (SC-SC) +EVDW2= 5.207795E+01 WEIGHT= 1.593040D+00 (SC-p) +EES= -1.071050E+02 WEIGHT= 7.153400D-01 (p-p) +EVDWPP= -1.711560E+01 WEIGHT= 1.137100D-01 (p-p VDW) +ESTR= 0.000000E+00 WEIGHT= 1.000000D+00 (stretching) +EBE= -3.941221E+01 WEIGHT= 1.138730D+00 (bending) +ESC= 4.129141E+01 WEIGHT= 1.625800D-01 (SC local) +ETORS= 1.124428E+01 WEIGHT= 1.985990D+00 (torsional) +ETORSD= -6.971892E-01 WEIGHT= 1.570690D+00 (double torsional) +EHBP= 0.000000E+00 WEIGHT= 1.000000D+00 (SS bridges & dist. cnstr.) +ECORR4= -8.103883E+01 WEIGHT= 4.288700D-01 (multi-body) +ECORR5= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body) +ECORR6= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body) +EELLO= -6.315052E+00 WEIGHT= 1.603600D-01 (electrostatic-local) +ETURN3= 2.005795E+01 WEIGHT= 1.687220D+00 (turns, 3rd order) +ETURN4= -8.402141E-01 WEIGHT= 6.623000D-01 (turns, 4th order) +ETURN6= 0.000000E+00 WEIGHT= 0.000000D+00 (turns, 6th order) +ESCCOR= 0.000000E+00 WEIGHT= 0.000000D+00 (backbone-rotamer corr) +EDIHC= 0.000000E+00 (dihedral angle constraints) +ESS= 0.000000E+00 (disulfide-bridge intrinsic energy) +UCONST= 0.000000E+00 (Constraint energy) +EDFAD= 2.377498-315 (DFA distance energy) +EDFAT= 6.953299-310 (DFA torsion energy) +EDFAN= 1.976263-323 (DFA NCa energy) +EDFAB= 8.487983-314 (DFA Beta energy) +ETOT= -8.583962E+01 (total) +RMS deviation from the reference structure: 2.352 + % of native contacts: 66.667 + % of nonnative contacts: 61.905 + contact order: 0.281 + TM-score with the reference structure: 0.33 +Conformation # 133 + +Virtual-chain energies: + +EVDW= -5.189506E+01 WEIGHT= 1.352790D+00 (SC-SC) +EVDW2= 4.757256E+01 WEIGHT= 1.593040D+00 (SC-p) +EES= -9.838629E+01 WEIGHT= 7.153400D-01 (p-p) +EVDWPP= -1.633343E+01 WEIGHT= 1.137100D-01 (p-p VDW) +ESTR= 0.000000E+00 WEIGHT= 1.000000D+00 (stretching) +EBE= -3.915135E+01 WEIGHT= 1.138730D+00 (bending) +ESC= 5.536124E+01 WEIGHT= 1.625800D-01 (SC local) +ETORS= 9.916706E+00 WEIGHT= 1.985990D+00 (torsional) +ETORSD= -2.210189E+00 WEIGHT= 1.570690D+00 (double torsional) +EHBP= 0.000000E+00 WEIGHT= 1.000000D+00 (SS bridges & dist. cnstr.) +ECORR4= -7.380771E+01 WEIGHT= 4.288700D-01 (multi-body) +ECORR5= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body) +ECORR6= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body) +EELLO= 1.990572E+00 WEIGHT= 1.603600D-01 (electrostatic-local) +ETURN3= 1.962722E+01 WEIGHT= 1.687220D+00 (turns, 3rd order) +ETURN4= -1.617477E-01 WEIGHT= 6.623000D-01 (turns, 4th order) +ETURN6= 0.000000E+00 WEIGHT= 0.000000D+00 (turns, 6th order) +ESCCOR= 0.000000E+00 WEIGHT= 0.000000D+00 (backbone-rotamer corr) +EDIHC= 0.000000E+00 (dihedral angle constraints) +ESS= 0.000000E+00 (disulfide-bridge intrinsic energy) +UCONST= 0.000000E+00 (Constraint energy) +EDFAD= 2.377498-315 (DFA distance energy) +EDFAT= 6.953299-310 (DFA torsion energy) +EDFAN= 1.976263-323 (DFA NCa energy) +EDFAB= 8.487983-314 (DFA Beta energy) +ETOT= -8.434067E+01 (total) +RMS deviation from the reference structure: 6.540 + % of native contacts: 33.333 + % of nonnative contacts: 76.471 + contact order: 0.230 + TM-score with the reference structure: 0.31 +Conformation # 134 + +Virtual-chain energies: + +EVDW= -5.756768E+01 WEIGHT= 1.352790D+00 (SC-SC) +EVDW2= 4.536445E+01 WEIGHT= 1.593040D+00 (SC-p) +EES= -8.876928E+01 WEIGHT= 7.153400D-01 (p-p) +EVDWPP= -2.032442E+01 WEIGHT= 1.137100D-01 (p-p VDW) +ESTR= 0.000000E+00 WEIGHT= 1.000000D+00 (stretching) +EBE= -3.564439E+01 WEIGHT= 1.138730D+00 (bending) +ESC= 5.664898E+01 WEIGHT= 1.625800D-01 (SC local) +ETORS= 8.344200E+00 WEIGHT= 1.985990D+00 (torsional) +ETORSD= -5.974411E-01 WEIGHT= 1.570690D+00 (double torsional) +EHBP= 0.000000E+00 WEIGHT= 1.000000D+00 (SS bridges & dist. cnstr.) +ECORR4= -6.272068E+01 WEIGHT= 4.288700D-01 (multi-body) +ECORR5= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body) +ECORR6= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body) +EELLO= -3.448782E-01 WEIGHT= 1.603600D-01 (electrostatic-local) +ETURN3= 1.772446E+01 WEIGHT= 1.687220D+00 (turns, 3rd order) +ETURN4= -3.314834E+00 WEIGHT= 6.623000D-01 (turns, 4th order) +ETURN6= 0.000000E+00 WEIGHT= 0.000000D+00 (turns, 6th order) +ESCCOR= 0.000000E+00 WEIGHT= 0.000000D+00 (backbone-rotamer corr) +EDIHC= 0.000000E+00 (dihedral angle constraints) +ESS= 0.000000E+00 (disulfide-bridge intrinsic energy) +UCONST= 0.000000E+00 (Constraint energy) +EDFAD= 2.377498-315 (DFA distance energy) +EDFAT= 6.953299-310 (DFA torsion energy) +EDFAN= 1.976263-323 (DFA NCa energy) +EDFAB= 8.487983-314 (DFA Beta energy) +ETOT= -8.641183E+01 (total) +RMS deviation from the reference structure: 5.109 + % of native contacts: 33.333 + % of nonnative contacts: 78.947 + contact order: 0.273 + TM-score with the reference structure: 0.29 +Conformation # 135 + +Virtual-chain energies: + +EVDW= -5.430664E+01 WEIGHT= 1.352790D+00 (SC-SC) +EVDW2= 4.524149E+01 WEIGHT= 1.593040D+00 (SC-p) +EES= -9.366314E+01 WEIGHT= 7.153400D-01 (p-p) +EVDWPP= -1.848517E+01 WEIGHT= 1.137100D-01 (p-p VDW) +ESTR= 0.000000E+00 WEIGHT= 1.000000D+00 (stretching) +EBE= -3.707435E+01 WEIGHT= 1.138730D+00 (bending) +ESC= 6.001359E+01 WEIGHT= 1.625800D-01 (SC local) +ETORS= 8.757863E+00 WEIGHT= 1.985990D+00 (torsional) +ETORSD= -4.223698E-01 WEIGHT= 1.570690D+00 (double torsional) +EHBP= 0.000000E+00 WEIGHT= 1.000000D+00 (SS bridges & dist. cnstr.) +ECORR4= -7.061723E+01 WEIGHT= 4.288700D-01 (multi-body) +ECORR5= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body) +ECORR6= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body) +EELLO= -3.157446E+00 WEIGHT= 1.603600D-01 (electrostatic-local) +ETURN3= 1.909439E+01 WEIGHT= 1.687220D+00 (turns, 3rd order) +ETURN4= -3.376186E+00 WEIGHT= 6.623000D-01 (turns, 4th order) +ETURN6= 0.000000E+00 WEIGHT= 0.000000D+00 (turns, 6th order) +ESCCOR= 0.000000E+00 WEIGHT= 0.000000D+00 (backbone-rotamer corr) +EDIHC= 0.000000E+00 (dihedral angle constraints) +ESS= 0.000000E+00 (disulfide-bridge intrinsic energy) +UCONST= 0.000000E+00 (Constraint energy) +EDFAD= 2.377498-315 (DFA distance energy) +EDFAT= 6.953299-310 (DFA torsion energy) +EDFAN= 1.976263-323 (DFA NCa energy) +EDFAB= 8.487983-314 (DFA Beta energy) +ETOT= -8.703953E+01 (total) +RMS deviation from the reference structure: 6.698 + % of native contacts: 33.333 + % of nonnative contacts: 78.947 + contact order: 0.232 + TM-score with the reference structure: 0.29 +Conformation # 136 + +Virtual-chain energies: + +EVDW= -5.137156E+01 WEIGHT= 1.352790D+00 (SC-SC) +EVDW2= 3.826055E+01 WEIGHT= 1.593040D+00 (SC-p) +EES= -5.567244E+01 WEIGHT= 7.153400D-01 (p-p) +EVDWPP= -3.534349E+01 WEIGHT= 1.137100D-01 (p-p VDW) +ESTR= 0.000000E+00 WEIGHT= 1.000000D+00 (stretching) +EBE= -3.385073E+01 WEIGHT= 1.138730D+00 (bending) +ESC= 3.354439E+01 WEIGHT= 1.625800D-01 (SC local) +ETORS= 2.827096E+00 WEIGHT= 1.985990D+00 (torsional) +ETORSD= 4.225704E-01 WEIGHT= 1.570690D+00 (double torsional) +EHBP= 0.000000E+00 WEIGHT= 1.000000D+00 (SS bridges & dist. cnstr.) +ECORR4= -3.948159E+01 WEIGHT= 4.288700D-01 (multi-body) +ECORR5= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body) +ECORR6= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body) +EELLO= -1.189868E+00 WEIGHT= 1.603600D-01 (electrostatic-local) +ETURN3= 6.395222E+00 WEIGHT= 1.687220D+00 (turns, 3rd order) +ETURN4= 1.667000E+00 WEIGHT= 6.623000D-01 (turns, 4th order) +ETURN6= 0.000000E+00 WEIGHT= 0.000000D+00 (turns, 6th order) +ESCCOR= 0.000000E+00 WEIGHT= 0.000000D+00 (backbone-rotamer corr) +EDIHC= 0.000000E+00 (dihedral angle constraints) +ESS= 0.000000E+00 (disulfide-bridge intrinsic energy) +UCONST= 0.000000E+00 (Constraint energy) +EDFAD= 2.377498-315 (DFA distance energy) +EDFAT= 6.953299-310 (DFA torsion energy) +EDFAN= 1.976263-323 (DFA NCa energy) +EDFAB= 8.487983-314 (DFA Beta energy) +ETOT= -8.443194E+01 (total) +RMS deviation from the reference structure: 4.404 + % of native contacts: 25.000 + % of nonnative contacts: 83.333 + contact order: 0.432 + TM-score with the reference structure: 0.16 +Conformation # 137 + +Virtual-chain energies: + +EVDW= -5.367335E+01 WEIGHT= 1.352790D+00 (SC-SC) +EVDW2= 5.318763E+01 WEIGHT= 1.593040D+00 (SC-p) +EES= -1.058133E+02 WEIGHT= 7.153400D-01 (p-p) +EVDWPP= -2.406713E+01 WEIGHT= 1.137100D-01 (p-p VDW) +ESTR= 0.000000E+00 WEIGHT= 1.000000D+00 (stretching) +EBE= -4.243962E+01 WEIGHT= 1.138730D+00 (bending) +ESC= 3.746250E+01 WEIGHT= 1.625800D-01 (SC local) +ETORS= 1.207439E+01 WEIGHT= 1.985990D+00 (torsional) +ETORSD= -4.580578E-01 WEIGHT= 1.570690D+00 (double torsional) +EHBP= 0.000000E+00 WEIGHT= 1.000000D+00 (SS bridges & dist. cnstr.) +ECORR4= -7.450450E+01 WEIGHT= 4.288700D-01 (multi-body) +ECORR5= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body) +ECORR6= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body) +EELLO= -1.356087E+00 WEIGHT= 1.603600D-01 (electrostatic-local) +ETURN3= 2.003313E+01 WEIGHT= 1.687220D+00 (turns, 3rd order) +ETURN4= -2.817199E+00 WEIGHT= 6.623000D-01 (turns, 4th order) +ETURN6= 0.000000E+00 WEIGHT= 0.000000D+00 (turns, 6th order) +ESCCOR= 0.000000E+00 WEIGHT= 0.000000D+00 (backbone-rotamer corr) +EDIHC= 0.000000E+00 (dihedral angle constraints) +ESS= 0.000000E+00 (disulfide-bridge intrinsic energy) +UCONST= 0.000000E+00 (Constraint energy) +EDFAD= 2.377498-315 (DFA distance energy) +EDFAT= 6.953299-310 (DFA torsion energy) +EDFAN= 1.976263-323 (DFA NCa energy) +EDFAB= 8.487983-314 (DFA Beta energy) +ETOT= -8.552006E+01 (total) +RMS deviation from the reference structure: 4.658 + % of native contacts: 25.000 + % of nonnative contacts: 86.957 + contact order: 0.318 + TM-score with the reference structure: 0.28 +Conformation # 138 + +Virtual-chain energies: + +EVDW= -5.300634E+01 WEIGHT= 1.352790D+00 (SC-SC) +EVDW2= 3.615508E+01 WEIGHT= 1.593040D+00 (SC-p) +EES= -6.090571E+01 WEIGHT= 7.153400D-01 (p-p) +EVDWPP= -2.887526E+01 WEIGHT= 1.137100D-01 (p-p VDW) +ESTR= 0.000000E+00 WEIGHT= 1.000000D+00 (stretching) +EBE= -3.653731E+01 WEIGHT= 1.138730D+00 (bending) +ESC= 4.899934E+01 WEIGHT= 1.625800D-01 (SC local) +ETORS= 4.951002E+00 WEIGHT= 1.985990D+00 (torsional) +ETORSD= 4.423525E-02 WEIGHT= 1.570690D+00 (double torsional) +EHBP= 0.000000E+00 WEIGHT= 1.000000D+00 (SS bridges & dist. cnstr.) +ECORR4= -4.299857E+01 WEIGHT= 4.288700D-01 (multi-body) +ECORR5= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body) +ECORR6= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body) +EELLO= -3.560420E-01 WEIGHT= 1.603600D-01 (electrostatic-local) +ETURN3= 1.260466E+01 WEIGHT= 1.687220D+00 (turns, 3rd order) +ETURN4= -3.665032E+00 WEIGHT= 6.623000D-01 (turns, 4th order) +ETURN6= 0.000000E+00 WEIGHT= 0.000000D+00 (turns, 6th order) +ESCCOR= 0.000000E+00 WEIGHT= 0.000000D+00 (backbone-rotamer corr) +EDIHC= 0.000000E+00 (dihedral angle constraints) +ESS= 0.000000E+00 (disulfide-bridge intrinsic energy) +UCONST= 0.000000E+00 (Constraint energy) +EDFAD= 2.377498-315 (DFA distance energy) +EDFAT= 6.953299-310 (DFA torsion energy) +EDFAN= 1.976263-323 (DFA NCa energy) +EDFAB= 8.487983-314 (DFA Beta energy) +ETOT= -8.435777E+01 (total) +RMS deviation from the reference structure: 4.236 + % of native contacts: 50.000 + % of nonnative contacts: 68.421 + contact order: 0.400 + TM-score with the reference structure: 0.24 +Conformation # 139 + +Virtual-chain energies: + +EVDW= -5.244727E+01 WEIGHT= 1.352790D+00 (SC-SC) +EVDW2= 5.734513E+01 WEIGHT= 1.593040D+00 (SC-p) +EES= -1.172651E+02 WEIGHT= 7.153400D-01 (p-p) +EVDWPP= -1.521873E+01 WEIGHT= 1.137100D-01 (p-p VDW) +ESTR= 0.000000E+00 WEIGHT= 1.000000D+00 (stretching) +EBE= -4.199965E+01 WEIGHT= 1.138730D+00 (bending) +ESC= 4.745964E+01 WEIGHT= 1.625800D-01 (SC local) +ETORS= 1.357475E+01 WEIGHT= 1.985990D+00 (torsional) +ETORSD= -1.633357E+00 WEIGHT= 1.570690D+00 (double torsional) +EHBP= 0.000000E+00 WEIGHT= 1.000000D+00 (SS bridges & dist. cnstr.) +ECORR4= -9.060955E+01 WEIGHT= 4.288700D-01 (multi-body) +ECORR5= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body) +ECORR6= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body) +EELLO= -1.337503E-01 WEIGHT= 1.603600D-01 (electrostatic-local) +ETURN3= 1.868176E+01 WEIGHT= 1.687220D+00 (turns, 3rd order) +ETURN4= -1.054648E-01 WEIGHT= 6.623000D-01 (turns, 4th order) +ETURN6= 0.000000E+00 WEIGHT= 0.000000D+00 (turns, 6th order) +ESCCOR= 0.000000E+00 WEIGHT= 0.000000D+00 (backbone-rotamer corr) +EDIHC= 0.000000E+00 (dihedral angle constraints) +ESS= 0.000000E+00 (disulfide-bridge intrinsic energy) +UCONST= 0.000000E+00 (Constraint energy) +EDFAD= 2.377498-315 (DFA distance energy) +EDFAT= 6.953299-310 (DFA torsion energy) +EDFAN= 1.976263-323 (DFA NCa energy) +EDFAB= 8.487983-314 (DFA Beta energy) +ETOT= -8.835924E+01 (total) +RMS deviation from the reference structure: 2.565 + % of native contacts: 50.000 + % of nonnative contacts: 64.706 + contact order: 0.316 + TM-score with the reference structure: 0.30 +Conformation # 140 + +Virtual-chain energies: + +EVDW= -5.645152E+01 WEIGHT= 1.352790D+00 (SC-SC) +EVDW2= 6.044598E+01 WEIGHT= 1.593040D+00 (SC-p) +EES= -1.145363E+02 WEIGHT= 7.153400D-01 (p-p) +EVDWPP= -2.092802E+01 WEIGHT= 1.137100D-01 (p-p VDW) +ESTR= 0.000000E+00 WEIGHT= 1.000000D+00 (stretching) +EBE= -4.030258E+01 WEIGHT= 1.138730D+00 (bending) +ESC= 3.586688E+01 WEIGHT= 1.625800D-01 (SC local) +ETORS= 1.183785E+01 WEIGHT= 1.985990D+00 (torsional) +ETORSD= 2.569806E-01 WEIGHT= 1.570690D+00 (double torsional) +EHBP= 0.000000E+00 WEIGHT= 1.000000D+00 (SS bridges & dist. cnstr.) +ECORR4= -8.174136E+01 WEIGHT= 4.288700D-01 (multi-body) +ECORR5= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body) +ECORR6= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body) +EELLO= -1.712786E+00 WEIGHT= 1.603600D-01 (electrostatic-local) +ETURN3= 1.731777E+01 WEIGHT= 1.687220D+00 (turns, 3rd order) +ETURN4= -6.682442E-02 WEIGHT= 6.623000D-01 (turns, 4th order) +ETURN6= 0.000000E+00 WEIGHT= 0.000000D+00 (turns, 6th order) +ESCCOR= 0.000000E+00 WEIGHT= 0.000000D+00 (backbone-rotamer corr) +EDIHC= 0.000000E+00 (dihedral angle constraints) +ESS= 0.000000E+00 (disulfide-bridge intrinsic energy) +UCONST= 0.000000E+00 (Constraint energy) +EDFAD= 2.377498-315 (DFA distance energy) +EDFAT= 6.953299-310 (DFA torsion energy) +EDFAN= 1.976263-323 (DFA NCa energy) +EDFAB= 8.487983-314 (DFA Beta energy) +ETOT= -8.669181E+01 (total) +RMS deviation from the reference structure: 4.091 + % of native contacts: 33.333 + % of nonnative contacts: 85.185 + contact order: 0.357 + TM-score with the reference structure: 0.29 +Conformation # 141 + +Virtual-chain energies: + +EVDW= -5.034205E+01 WEIGHT= 1.352790D+00 (SC-SC) +EVDW2= 5.442170E+01 WEIGHT= 1.593040D+00 (SC-p) +EES= -1.209548E+02 WEIGHT= 7.153400D-01 (p-p) +EVDWPP= -9.416208E+00 WEIGHT= 1.137100D-01 (p-p VDW) +ESTR= 0.000000E+00 WEIGHT= 1.000000D+00 (stretching) +EBE= -4.015084E+01 WEIGHT= 1.138730D+00 (bending) +ESC= 3.578630E+01 WEIGHT= 1.625800D-01 (SC local) +ETORS= 1.459114E+01 WEIGHT= 1.985990D+00 (torsional) +ETORSD= -1.096650E+00 WEIGHT= 1.570690D+00 (double torsional) +EHBP= 0.000000E+00 WEIGHT= 1.000000D+00 (SS bridges & dist. cnstr.) +ECORR4= -9.000035E+01 WEIGHT= 4.288700D-01 (multi-body) +ECORR5= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body) +ECORR6= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body) +EELLO= -6.524371E-01 WEIGHT= 1.603600D-01 (electrostatic-local) +ETURN3= 2.030175E+01 WEIGHT= 1.687220D+00 (turns, 3rd order) +ETURN4= 6.079497E-01 WEIGHT= 6.623000D-01 (turns, 4th order) +ETURN6= 0.000000E+00 WEIGHT= 0.000000D+00 (turns, 6th order) +ESCCOR= 0.000000E+00 WEIGHT= 0.000000D+00 (backbone-rotamer corr) +EDIHC= 0.000000E+00 (dihedral angle constraints) +ESS= 0.000000E+00 (disulfide-bridge intrinsic energy) +UCONST= 0.000000E+00 (Constraint energy) +EDFAD= 2.377498-315 (DFA distance energy) +EDFAT= 6.953299-310 (DFA torsion energy) +EDFAN= 1.976263-323 (DFA NCa energy) +EDFAB= 8.487983-314 (DFA Beta energy) +ETOT= -8.569521E+01 (total) +RMS deviation from the reference structure: 1.555 + % of native contacts: 66.667 + % of nonnative contacts: 60.000 + contact order: 0.264 + TM-score with the reference structure: 0.33 +Conformation # 142 + +Virtual-chain energies: + +EVDW= -4.896797E+01 WEIGHT= 1.352790D+00 (SC-SC) +EVDW2= 3.899688E+01 WEIGHT= 1.593040D+00 (SC-p) +EES= -7.384341E+01 WEIGHT= 7.153400D-01 (p-p) +EVDWPP= -2.361884E+01 WEIGHT= 1.137100D-01 (p-p VDW) +ESTR= 0.000000E+00 WEIGHT= 1.000000D+00 (stretching) +EBE= -3.763436E+01 WEIGHT= 1.138730D+00 (bending) +ESC= 2.108321E+01 WEIGHT= 1.625800D-01 (SC local) +ETORS= 7.451765E+00 WEIGHT= 1.985990D+00 (torsional) +ETORSD= -2.117554E+00 WEIGHT= 1.570690D+00 (double torsional) +EHBP= 0.000000E+00 WEIGHT= 1.000000D+00 (SS bridges & dist. cnstr.) +ECORR4= -5.527031E+01 WEIGHT= 4.288700D-01 (multi-body) +ECORR5= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body) +ECORR6= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body) +EELLO= -8.815640E-01 WEIGHT= 1.603600D-01 (electrostatic-local) +ETURN3= 1.597311E+01 WEIGHT= 1.687220D+00 (turns, 3rd order) +ETURN4= 6.878322E-01 WEIGHT= 6.623000D-01 (turns, 4th order) +ETURN6= 0.000000E+00 WEIGHT= 0.000000D+00 (turns, 6th order) +ESCCOR= 0.000000E+00 WEIGHT= 0.000000D+00 (backbone-rotamer corr) +EDIHC= 0.000000E+00 (dihedral angle constraints) +ESS= 0.000000E+00 (disulfide-bridge intrinsic energy) +UCONST= 0.000000E+00 (Constraint energy) +EDFAD= 2.377498-315 (DFA distance energy) +EDFAT= 6.953299-310 (DFA torsion energy) +EDFAN= 1.976263-323 (DFA NCa energy) +EDFAB= 8.487983-314 (DFA Beta energy) +ETOT= -8.402264E+01 (total) +RMS deviation from the reference structure: 4.847 + % of native contacts: 25.000 + % of nonnative contacts: 82.353 + contact order: 0.393 + TM-score with the reference structure: 0.28 +Conformation # 143 + +Virtual-chain energies: + +EVDW= -5.168287E+01 WEIGHT= 1.352790D+00 (SC-SC) +EVDW2= 4.466215E+01 WEIGHT= 1.593040D+00 (SC-p) +EES= -8.769282E+01 WEIGHT= 7.153400D-01 (p-p) +EVDWPP= -1.996642E+01 WEIGHT= 1.137100D-01 (p-p VDW) +ESTR= 0.000000E+00 WEIGHT= 1.000000D+00 (stretching) +EBE= -3.757046E+01 WEIGHT= 1.138730D+00 (bending) +ESC= 4.149283E+01 WEIGHT= 1.625800D-01 (SC local) +ETORS= 8.785044E+00 WEIGHT= 1.985990D+00 (torsional) +ETORSD= -2.049605E+00 WEIGHT= 1.570690D+00 (double torsional) +EHBP= 0.000000E+00 WEIGHT= 1.000000D+00 (SS bridges & dist. cnstr.) +ECORR4= -6.622622E+01 WEIGHT= 4.288700D-01 (multi-body) +ECORR5= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body) +ECORR6= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body) +EELLO= -1.141042E+00 WEIGHT= 1.603600D-01 (electrostatic-local) +ETURN3= 1.805023E+01 WEIGHT= 1.687220D+00 (turns, 3rd order) +ETURN4= -2.270394E+00 WEIGHT= 6.623000D-01 (turns, 4th order) +ETURN6= 0.000000E+00 WEIGHT= 0.000000D+00 (turns, 6th order) +ESCCOR= 0.000000E+00 WEIGHT= 0.000000D+00 (backbone-rotamer corr) +EDIHC= 0.000000E+00 (dihedral angle constraints) +ESS= 0.000000E+00 (disulfide-bridge intrinsic energy) +UCONST= 0.000000E+00 (Constraint energy) +EDFAD= 2.377498-315 (DFA distance energy) +EDFAT= 6.953299-310 (DFA torsion energy) +EDFAN= 1.976263-323 (DFA NCa energy) +EDFAB= 8.487983-314 (DFA Beta energy) +ETOT= -8.521141E+01 (total) +RMS deviation from the reference structure: 4.999 + % of native contacts: 41.667 + % of nonnative contacts: 75.000 + contact order: 0.332 + TM-score with the reference structure: 0.31 +Conformation # 144 + +Virtual-chain energies: + +EVDW= -5.547648E+01 WEIGHT= 1.352790D+00 (SC-SC) +EVDW2= 5.257667E+01 WEIGHT= 1.593040D+00 (SC-p) +EES= -1.074344E+02 WEIGHT= 7.153400D-01 (p-p) +EVDWPP= -2.074808E+01 WEIGHT= 1.137100D-01 (p-p VDW) +ESTR= 0.000000E+00 WEIGHT= 1.000000D+00 (stretching) +EBE= -3.852280E+01 WEIGHT= 1.138730D+00 (bending) +ESC= 3.704278E+01 WEIGHT= 1.625800D-01 (SC local) +ETORS= 1.247299E+01 WEIGHT= 1.985990D+00 (torsional) +ETORSD= -1.450897E+00 WEIGHT= 1.570690D+00 (double torsional) +EHBP= 0.000000E+00 WEIGHT= 1.000000D+00 (SS bridges & dist. cnstr.) +ECORR4= -8.047102E+01 WEIGHT= 4.288700D-01 (multi-body) +ECORR5= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body) +ECORR6= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body) +EELLO= -2.462344E+00 WEIGHT= 1.603600D-01 (electrostatic-local) +ETURN3= 2.058169E+01 WEIGHT= 1.687220D+00 (turns, 3rd order) +ETURN4= 9.036316E-02 WEIGHT= 6.623000D-01 (turns, 4th order) +ETURN6= 0.000000E+00 WEIGHT= 0.000000D+00 (turns, 6th order) +ESCCOR= 0.000000E+00 WEIGHT= 0.000000D+00 (backbone-rotamer corr) +EDIHC= 0.000000E+00 (dihedral angle constraints) +ESS= 0.000000E+00 (disulfide-bridge intrinsic energy) +UCONST= 0.000000E+00 (Constraint energy) +EDFAD= 2.377498-315 (DFA distance energy) +EDFAT= 6.953299-310 (DFA torsion energy) +EDFAN= 1.976263-323 (DFA NCa energy) +EDFAB= 8.487983-314 (DFA Beta energy) +ETOT= -8.597576E+01 (total) +RMS deviation from the reference structure: 2.114 + % of native contacts: 58.333 + % of nonnative contacts: 69.565 + contact order: 0.354 + TM-score with the reference structure: 0.30 +Conformation # 145 + +Virtual-chain energies: + +EVDW= -5.575753E+01 WEIGHT= 1.352790D+00 (SC-SC) +EVDW2= 5.509284E+01 WEIGHT= 1.593040D+00 (SC-p) +EES= -1.110953E+02 WEIGHT= 7.153400D-01 (p-p) +EVDWPP= -2.497661E+01 WEIGHT= 1.137100D-01 (p-p VDW) +ESTR= 0.000000E+00 WEIGHT= 1.000000D+00 (stretching) +EBE= -3.835896E+01 WEIGHT= 1.138730D+00 (bending) +ESC= 4.966412E+01 WEIGHT= 1.625800D-01 (SC local) +ETORS= 1.307339E+01 WEIGHT= 1.985990D+00 (torsional) +ETORSD= -1.560249E+00 WEIGHT= 1.570690D+00 (double torsional) +EHBP= 0.000000E+00 WEIGHT= 1.000000D+00 (SS bridges & dist. cnstr.) +ECORR4= -8.435212E+01 WEIGHT= 4.288700D-01 (multi-body) +ECORR5= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body) +ECORR6= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body) +EELLO= -2.372683E+00 WEIGHT= 1.603600D-01 (electrostatic-local) +ETURN3= 1.993729E+01 WEIGHT= 1.687220D+00 (turns, 3rd order) +ETURN4= -5.666365E-01 WEIGHT= 6.623000D-01 (turns, 4th order) +ETURN6= 0.000000E+00 WEIGHT= 0.000000D+00 (turns, 6th order) +ESCCOR= 0.000000E+00 WEIGHT= 0.000000D+00 (backbone-rotamer corr) +EDIHC= 0.000000E+00 (dihedral angle constraints) +ESS= 0.000000E+00 (disulfide-bridge intrinsic energy) +UCONST= 0.000000E+00 (Constraint energy) +EDFAD= 2.377498-315 (DFA distance energy) +EDFAT= 6.953299-310 (DFA torsion energy) +EDFAN= 1.976263-323 (DFA NCa energy) +EDFAB= 8.487983-314 (DFA Beta energy) +ETOT= -8.536057E+01 (total) +RMS deviation from the reference structure: 2.696 + % of native contacts: 50.000 + % of nonnative contacts: 68.421 + contact order: 0.342 + TM-score with the reference structure: 0.30 +Conformation # 146 + +Virtual-chain energies: + +EVDW= -4.706778E+01 WEIGHT= 1.352790D+00 (SC-SC) +EVDW2= 4.079802E+01 WEIGHT= 1.593040D+00 (SC-p) +EES= -7.896255E+01 WEIGHT= 7.153400D-01 (p-p) +EVDWPP= -1.797725E+01 WEIGHT= 1.137100D-01 (p-p VDW) +ESTR= 0.000000E+00 WEIGHT= 1.000000D+00 (stretching) +EBE= -4.035765E+01 WEIGHT= 1.138730D+00 (bending) +ESC= 2.621484E+01 WEIGHT= 1.625800D-01 (SC local) +ETORS= 7.445699E+00 WEIGHT= 1.985990D+00 (torsional) +ETORSD= 7.402409E-01 WEIGHT= 1.570690D+00 (double torsional) +EHBP= 0.000000E+00 WEIGHT= 1.000000D+00 (SS bridges & dist. cnstr.) +ECORR4= -5.810555E+01 WEIGHT= 4.288700D-01 (multi-body) +ECORR5= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body) +ECORR6= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body) +EELLO= -1.798875E+00 WEIGHT= 1.603600D-01 (electrostatic-local) +ETURN3= 1.595764E+01 WEIGHT= 1.687220D+00 (turns, 3rd order) +ETURN4= -4.683044E+00 WEIGHT= 6.623000D-01 (turns, 4th order) +ETURN6= 0.000000E+00 WEIGHT= 0.000000D+00 (turns, 6th order) +ESCCOR= 0.000000E+00 WEIGHT= 0.000000D+00 (backbone-rotamer corr) +EDIHC= 0.000000E+00 (dihedral angle constraints) +ESS= 0.000000E+00 (disulfide-bridge intrinsic energy) +UCONST= 0.000000E+00 (Constraint energy) +EDFAD= 2.377498-315 (DFA distance energy) +EDFAT= 6.953299-310 (DFA torsion energy) +EDFAN= 1.976263-323 (DFA NCa energy) +EDFAB= 8.487983-314 (DFA Beta energy) +ETOT= -8.433961E+01 (total) +RMS deviation from the reference structure: 4.735 + % of native contacts: 25.000 + % of nonnative contacts: 84.211 + contact order: 0.404 + TM-score with the reference structure: 0.30 +Conformation # 147 + +Virtual-chain energies: + +EVDW= -5.155740E+01 WEIGHT= 1.352790D+00 (SC-SC) +EVDW2= 4.819225E+01 WEIGHT= 1.593040D+00 (SC-p) +EES= -8.335415E+01 WEIGHT= 7.153400D-01 (p-p) +EVDWPP= -3.925201E+01 WEIGHT= 1.137100D-01 (p-p VDW) +ESTR= 0.000000E+00 WEIGHT= 1.000000D+00 (stretching) +EBE= -3.648122E+01 WEIGHT= 1.138730D+00 (bending) +ESC= 2.712286E+01 WEIGHT= 1.625800D-01 (SC local) +ETORS= 7.176786E+00 WEIGHT= 1.985990D+00 (torsional) +ETORSD= -1.216196E-02 WEIGHT= 1.570690D+00 (double torsional) +EHBP= 0.000000E+00 WEIGHT= 1.000000D+00 (SS bridges & dist. cnstr.) +ECORR4= -6.235443E+01 WEIGHT= 4.288700D-01 (multi-body) +ECORR5= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body) +ECORR6= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body) +EELLO= -5.791411E+00 WEIGHT= 1.603600D-01 (electrostatic-local) +ETURN3= 1.316162E+01 WEIGHT= 1.687220D+00 (turns, 3rd order) +ETURN4= -1.942828E+00 WEIGHT= 6.623000D-01 (turns, 4th order) +ETURN6= 0.000000E+00 WEIGHT= 0.000000D+00 (turns, 6th order) +ESCCOR= 0.000000E+00 WEIGHT= 0.000000D+00 (backbone-rotamer corr) +EDIHC= 0.000000E+00 (dihedral angle constraints) +ESS= 0.000000E+00 (disulfide-bridge intrinsic energy) +UCONST= 0.000000E+00 (Constraint energy) +EDFAD= 2.377498-315 (DFA distance energy) +EDFAT= 6.953299-310 (DFA torsion energy) +EDFAN= 1.976263-323 (DFA NCa energy) +EDFAB= 8.487983-314 (DFA Beta energy) +ETOT= -8.671359E+01 (total) +RMS deviation from the reference structure: 3.593 + % of native contacts: 41.667 + % of nonnative contacts: 76.190 + contact order: 0.381 + TM-score with the reference structure: 0.27 +Conformation # 148 + +Virtual-chain energies: + +EVDW= -5.359520E+01 WEIGHT= 1.352790D+00 (SC-SC) +EVDW2= 4.873015E+01 WEIGHT= 1.593040D+00 (SC-p) +EES= -8.716418E+01 WEIGHT= 7.153400D-01 (p-p) +EVDWPP= -3.501093E+01 WEIGHT= 1.137100D-01 (p-p VDW) +ESTR= 0.000000E+00 WEIGHT= 1.000000D+00 (stretching) +EBE= -3.731397E+01 WEIGHT= 1.138730D+00 (bending) +ESC= 4.018699E+01 WEIGHT= 1.625800D-01 (SC local) +ETORS= 7.680233E+00 WEIGHT= 1.985990D+00 (torsional) +ETORSD= -8.194496E-01 WEIGHT= 1.570690D+00 (double torsional) +EHBP= 0.000000E+00 WEIGHT= 1.000000D+00 (SS bridges & dist. cnstr.) +ECORR4= -6.604673E+01 WEIGHT= 4.288700D-01 (multi-body) +ECORR5= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body) +ECORR6= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body) +EELLO= -4.929522E+00 WEIGHT= 1.603600D-01 (electrostatic-local) +ETURN3= 1.525267E+01 WEIGHT= 1.687220D+00 (turns, 3rd order) +ETURN4= -1.006970E+00 WEIGHT= 6.623000D-01 (turns, 4th order) +ETURN6= 0.000000E+00 WEIGHT= 0.000000D+00 (turns, 6th order) +ESCCOR= 0.000000E+00 WEIGHT= 0.000000D+00 (backbone-rotamer corr) +EDIHC= 0.000000E+00 (dihedral angle constraints) +ESS= 0.000000E+00 (disulfide-bridge intrinsic energy) +UCONST= 0.000000E+00 (Constraint energy) +EDFAD= 2.377498-315 (DFA distance energy) +EDFAT= 6.953299-310 (DFA torsion energy) +EDFAN= 1.976263-323 (DFA NCa energy) +EDFAB= 8.487983-314 (DFA Beta energy) +ETOT= -8.724651E+01 (total) +RMS deviation from the reference structure: 3.544 + % of native contacts: 58.333 + % of nonnative contacts: 65.000 + contact order: 0.318 + TM-score with the reference structure: 0.28 +Conformation # 149 + +Virtual-chain energies: + +EVDW= -5.240861E+01 WEIGHT= 1.352790D+00 (SC-SC) +EVDW2= 4.463184E+01 WEIGHT= 1.593040D+00 (SC-p) +EES= -7.976357E+01 WEIGHT= 7.153400D-01 (p-p) +EVDWPP= -3.251548E+01 WEIGHT= 1.137100D-01 (p-p VDW) +ESTR= 0.000000E+00 WEIGHT= 1.000000D+00 (stretching) +EBE= -3.889332E+01 WEIGHT= 1.138730D+00 (bending) +ESC= 3.021376E+01 WEIGHT= 1.625800D-01 (SC local) +ETORS= 8.528147E+00 WEIGHT= 1.985990D+00 (torsional) +ETORSD= -1.299416E+00 WEIGHT= 1.570690D+00 (double torsional) +EHBP= 0.000000E+00 WEIGHT= 1.000000D+00 (SS bridges & dist. cnstr.) +ECORR4= -6.016904E+01 WEIGHT= 4.288700D-01 (multi-body) +ECORR5= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body) +ECORR6= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body) +EELLO= -3.474934E+00 WEIGHT= 1.603600D-01 (electrostatic-local) +ETURN3= 1.497718E+01 WEIGHT= 1.687220D+00 (turns, 3rd order) +ETURN4= -9.722638E-02 WEIGHT= 6.623000D-01 (turns, 4th order) +ETURN6= 0.000000E+00 WEIGHT= 0.000000D+00 (turns, 6th order) +ESCCOR= 0.000000E+00 WEIGHT= 0.000000D+00 (backbone-rotamer corr) +EDIHC= 0.000000E+00 (dihedral angle constraints) +ESS= 0.000000E+00 (disulfide-bridge intrinsic energy) +UCONST= 0.000000E+00 (Constraint energy) +EDFAD= 2.377498-315 (DFA distance energy) +EDFAT= 6.953299-310 (DFA torsion energy) +EDFAN= 1.976263-323 (DFA NCa energy) +EDFAB= 8.487983-314 (DFA Beta energy) +ETOT= -8.619048E+01 (total) +RMS deviation from the reference structure: 3.750 + % of native contacts: 41.667 + % of nonnative contacts: 76.190 + contact order: 0.390 + TM-score with the reference structure: 0.30 +Conformation # 150 + +Virtual-chain energies: + +EVDW= -5.396918E+01 WEIGHT= 1.352790D+00 (SC-SC) +EVDW2= 4.430139E+01 WEIGHT= 1.593040D+00 (SC-p) +EES= -8.179463E+01 WEIGHT= 7.153400D-01 (p-p) +EVDWPP= -3.128989E+01 WEIGHT= 1.137100D-01 (p-p VDW) +ESTR= 0.000000E+00 WEIGHT= 1.000000D+00 (stretching) +EBE= -3.421375E+01 WEIGHT= 1.138730D+00 (bending) +ESC= 4.086691E+01 WEIGHT= 1.625800D-01 (SC local) +ETORS= 6.028777E+00 WEIGHT= 1.985990D+00 (torsional) +ETORSD= 2.895196E-01 WEIGHT= 1.570690D+00 (double torsional) +EHBP= 0.000000E+00 WEIGHT= 1.000000D+00 (SS bridges & dist. cnstr.) +ECORR4= -6.095508E+01 WEIGHT= 4.288700D-01 (multi-body) +ECORR5= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body) +ECORR6= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body) +EELLO= -2.618368E+00 WEIGHT= 1.603600D-01 (electrostatic-local) +ETURN3= 1.479259E+01 WEIGHT= 1.687220D+00 (turns, 3rd order) +ETURN4= -5.330205E-02 WEIGHT= 6.623000D-01 (turns, 4th order) +ETURN6= 0.000000E+00 WEIGHT= 0.000000D+00 (turns, 6th order) +ESCCOR= 0.000000E+00 WEIGHT= 0.000000D+00 (backbone-rotamer corr) +EDIHC= 0.000000E+00 (dihedral angle constraints) +ESS= 0.000000E+00 (disulfide-bridge intrinsic energy) +UCONST= 0.000000E+00 (Constraint energy) +EDFAD= 2.377498-315 (DFA distance energy) +EDFAT= 6.953299-310 (DFA torsion energy) +EDFAN= 1.976263-323 (DFA NCa energy) +EDFAB= 8.487983-314 (DFA Beta energy) +ETOT= -8.603089E+01 (total) +RMS deviation from the reference structure: 3.301 + % of native contacts: 66.667 + % of nonnative contacts: 60.000 + contact order: 0.295 + TM-score with the reference structure: 0.30 +Conformation # 151 + +Virtual-chain energies: + +EVDW= -5.330571E+01 WEIGHT= 1.352790D+00 (SC-SC) +EVDW2= 4.282896E+01 WEIGHT= 1.593040D+00 (SC-p) +EES= -8.267857E+01 WEIGHT= 7.153400D-01 (p-p) +EVDWPP= -1.994821E+01 WEIGHT= 1.137100D-01 (p-p VDW) +ESTR= 0.000000E+00 WEIGHT= 1.000000D+00 (stretching) +EBE= -3.994139E+01 WEIGHT= 1.138730D+00 (bending) +ESC= 3.598401E+01 WEIGHT= 1.625800D-01 (SC local) +ETORS= 9.245756E+00 WEIGHT= 1.985990D+00 (torsional) +ETORSD= -4.582350E-01 WEIGHT= 1.570690D+00 (double torsional) +EHBP= 0.000000E+00 WEIGHT= 1.000000D+00 (SS bridges & dist. cnstr.) +ECORR4= -5.968019E+01 WEIGHT= 4.288700D-01 (multi-body) +ECORR5= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body) +ECORR6= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body) +EELLO= 1.226798E+00 WEIGHT= 1.603600D-01 (electrostatic-local) +ETURN3= 1.780270E+01 WEIGHT= 1.687220D+00 (turns, 3rd order) +ETURN4= -1.050122E+00 WEIGHT= 6.623000D-01 (turns, 4th order) +ETURN6= 0.000000E+00 WEIGHT= 0.000000D+00 (turns, 6th order) +ESCCOR= 0.000000E+00 WEIGHT= 0.000000D+00 (backbone-rotamer corr) +EDIHC= 0.000000E+00 (dihedral angle constraints) +ESS= 0.000000E+00 (disulfide-bridge intrinsic energy) +UCONST= 0.000000E+00 (Constraint energy) +EDFAD= 2.377498-315 (DFA distance energy) +EDFAT= 6.953299-310 (DFA torsion energy) +EDFAN= 1.976263-323 (DFA NCa energy) +EDFAB= 8.487983-314 (DFA Beta energy) +ETOT= -8.334147E+01 (total) +RMS deviation from the reference structure: 4.004 + % of native contacts: 33.333 + % of nonnative contacts: 78.947 + contact order: 0.361 + TM-score with the reference structure: 0.28 +Conformation # 152 + +Virtual-chain energies: + +EVDW= -5.315670E+01 WEIGHT= 1.352790D+00 (SC-SC) +EVDW2= 4.772062E+01 WEIGHT= 1.593040D+00 (SC-p) +EES= -8.983713E+01 WEIGHT= 7.153400D-01 (p-p) +EVDWPP= -3.007515E+01 WEIGHT= 1.137100D-01 (p-p VDW) +ESTR= 0.000000E+00 WEIGHT= 1.000000D+00 (stretching) +EBE= -3.848400E+01 WEIGHT= 1.138730D+00 (bending) +ESC= 4.971038E+01 WEIGHT= 1.625800D-01 (SC local) +ETORS= 7.032008E+00 WEIGHT= 1.985990D+00 (torsional) +ETORSD= 2.546373E-01 WEIGHT= 1.570690D+00 (double torsional) +EHBP= 0.000000E+00 WEIGHT= 1.000000D+00 (SS bridges & dist. cnstr.) +ECORR4= -6.816310E+01 WEIGHT= 4.288700D-01 (multi-body) +ECORR5= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body) +ECORR6= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body) +EELLO= -4.178448E+00 WEIGHT= 1.603600D-01 (electrostatic-local) +ETURN3= 1.548422E+01 WEIGHT= 1.687220D+00 (turns, 3rd order) +ETURN4= -1.915491E+00 WEIGHT= 6.623000D-01 (turns, 4th order) +ETURN6= 0.000000E+00 WEIGHT= 0.000000D+00 (turns, 6th order) +ESCCOR= 0.000000E+00 WEIGHT= 0.000000D+00 (backbone-rotamer corr) +EDIHC= 0.000000E+00 (dihedral angle constraints) +ESS= 0.000000E+00 (disulfide-bridge intrinsic energy) +UCONST= 0.000000E+00 (Constraint energy) +EDFAD= 2.377498-315 (DFA distance energy) +EDFAT= 6.953299-310 (DFA torsion energy) +EDFAN= 1.976263-323 (DFA NCa energy) +EDFAB= 8.487983-314 (DFA Beta energy) +ETOT= -8.999497E+01 (total) +RMS deviation from the reference structure: 3.174 + % of native contacts: 66.667 + % of nonnative contacts: 63.636 + contact order: 0.275 + TM-score with the reference structure: 0.30 +Conformation # 153 + +Virtual-chain energies: + +EVDW= -5.568478E+01 WEIGHT= 1.352790D+00 (SC-SC) +EVDW2= 4.586926E+01 WEIGHT= 1.593040D+00 (SC-p) +EES= -8.771879E+01 WEIGHT= 7.153400D-01 (p-p) +EVDWPP= -2.086866E+01 WEIGHT= 1.137100D-01 (p-p VDW) +ESTR= 0.000000E+00 WEIGHT= 1.000000D+00 (stretching) +EBE= -3.770631E+01 WEIGHT= 1.138730D+00 (bending) +ESC= 4.192693E+01 WEIGHT= 1.625800D-01 (SC local) +ETORS= 8.376769E+00 WEIGHT= 1.985990D+00 (torsional) +ETORSD= -3.042697E-01 WEIGHT= 1.570690D+00 (double torsional) +EHBP= 0.000000E+00 WEIGHT= 1.000000D+00 (SS bridges & dist. cnstr.) +ECORR4= -6.628283E+01 WEIGHT= 4.288700D-01 (multi-body) +ECORR5= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body) +ECORR6= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body) +EELLO= 3.792471E-01 WEIGHT= 1.603600D-01 (electrostatic-local) +ETURN3= 1.739286E+01 WEIGHT= 1.687220D+00 (turns, 3rd order) +ETURN4= -2.555316E+00 WEIGHT= 6.623000D-01 (turns, 4th order) +ETURN6= 0.000000E+00 WEIGHT= 0.000000D+00 (turns, 6th order) +ESCCOR= 0.000000E+00 WEIGHT= 0.000000D+00 (backbone-rotamer corr) +EDIHC= 0.000000E+00 (dihedral angle constraints) +ESS= 0.000000E+00 (disulfide-bridge intrinsic energy) +UCONST= 0.000000E+00 (Constraint energy) +EDFAD= 2.377498-315 (DFA distance energy) +EDFAT= 6.953299-310 (DFA torsion energy) +EDFAN= 1.976263-323 (DFA NCa energy) +EDFAB= 8.487983-314 (DFA Beta energy) +ETOT= -8.805524E+01 (total) +RMS deviation from the reference structure: 4.108 + % of native contacts: 33.333 + % of nonnative contacts: 81.818 + contact order: 0.374 + TM-score with the reference structure: 0.27 +Conformation # 154 + +Virtual-chain energies: + +EVDW= -5.249585E+01 WEIGHT= 1.352790D+00 (SC-SC) +EVDW2= 4.202786E+01 WEIGHT= 1.593040D+00 (SC-p) +EES= -7.767928E+01 WEIGHT= 7.153400D-01 (p-p) +EVDWPP= -2.826543E+01 WEIGHT= 1.137100D-01 (p-p VDW) +ESTR= 0.000000E+00 WEIGHT= 1.000000D+00 (stretching) +EBE= -3.674459E+01 WEIGHT= 1.138730D+00 (bending) +ESC= 2.612666E+01 WEIGHT= 1.625800D-01 (SC local) +ETORS= 7.759308E+00 WEIGHT= 1.985990D+00 (torsional) +ETORSD= -1.920498E+00 WEIGHT= 1.570690D+00 (double torsional) +EHBP= 0.000000E+00 WEIGHT= 1.000000D+00 (SS bridges & dist. cnstr.) +ECORR4= -5.787297E+01 WEIGHT= 4.288700D-01 (multi-body) +ECORR5= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body) +ECORR6= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body) +EELLO= 6.220521E-01 WEIGHT= 1.603600D-01 (electrostatic-local) +ETURN3= 1.591956E+01 WEIGHT= 1.687220D+00 (turns, 3rd order) +ETURN4= 4.970434E-02 WEIGHT= 6.623000D-01 (turns, 4th order) +ETURN6= 0.000000E+00 WEIGHT= 0.000000D+00 (turns, 6th order) +ESCCOR= 0.000000E+00 WEIGHT= 0.000000D+00 (backbone-rotamer corr) +EDIHC= 0.000000E+00 (dihedral angle constraints) +ESS= 0.000000E+00 (disulfide-bridge intrinsic energy) +UCONST= 0.000000E+00 (Constraint energy) +EDFAD= 2.377498-315 (DFA distance energy) +EDFAT= 6.953299-310 (DFA torsion energy) +EDFAN= 1.976263-323 (DFA NCa energy) +EDFAB= 8.487983-314 (DFA Beta energy) +ETOT= -8.587356E+01 (total) +RMS deviation from the reference structure: 4.128 + % of native contacts: 25.000 + % of nonnative contacts: 85.714 + contact order: 0.405 + TM-score with the reference structure: 0.26 +Conformation # 155 + +Virtual-chain energies: + +EVDW= -5.102477E+01 WEIGHT= 1.352790D+00 (SC-SC) +EVDW2= 5.347916E+01 WEIGHT= 1.593040D+00 (SC-p) +EES= -1.144876E+02 WEIGHT= 7.153400D-01 (p-p) +EVDWPP= -2.468088E+01 WEIGHT= 1.137100D-01 (p-p VDW) +ESTR= 0.000000E+00 WEIGHT= 1.000000D+00 (stretching) +EBE= -4.097735E+01 WEIGHT= 1.138730D+00 (bending) +ESC= 3.815886E+01 WEIGHT= 1.625800D-01 (SC local) +ETORS= 1.388736E+01 WEIGHT= 1.985990D+00 (torsional) +ETORSD= 1.983706E+00 WEIGHT= 1.570690D+00 (double torsional) +EHBP= 0.000000E+00 WEIGHT= 1.000000D+00 (SS bridges & dist. cnstr.) +ECORR4= -8.097906E+01 WEIGHT= 4.288700D-01 (multi-body) +ECORR5= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body) +ECORR6= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body) +EELLO= -7.695389E+00 WEIGHT= 1.603600D-01 (electrostatic-local) +ETURN3= 1.882668E+01 WEIGHT= 1.687220D+00 (turns, 3rd order) +ETURN4= -1.962572E+00 WEIGHT= 6.623000D-01 (turns, 4th order) +ETURN6= 0.000000E+00 WEIGHT= 0.000000D+00 (turns, 6th order) +ESCCOR= 0.000000E+00 WEIGHT= 0.000000D+00 (backbone-rotamer corr) +EDIHC= 0.000000E+00 (dihedral angle constraints) +ESS= 0.000000E+00 (disulfide-bridge intrinsic energy) +UCONST= 0.000000E+00 (Constraint energy) +EDFAD= 2.377498-315 (DFA distance energy) +EDFAT= 6.953299-310 (DFA torsion energy) +EDFAN= 1.976263-323 (DFA NCa energy) +EDFAB= 8.487983-314 (DFA Beta energy) +ETOT= -8.379630E+01 (total) +RMS deviation from the reference structure: 3.185 + % of native contacts: 33.333 + % of nonnative contacts: 80.000 + contact order: 0.291 + TM-score with the reference structure: 0.39 +Conformation # 156 + +Virtual-chain energies: + +EVDW= -5.177081E+01 WEIGHT= 1.352790D+00 (SC-SC) +EVDW2= 4.779995E+01 WEIGHT= 1.593040D+00 (SC-p) +EES= -8.842012E+01 WEIGHT= 7.153400D-01 (p-p) +EVDWPP= -2.872860E+01 WEIGHT= 1.137100D-01 (p-p VDW) +ESTR= 0.000000E+00 WEIGHT= 1.000000D+00 (stretching) +EBE= -3.856523E+01 WEIGHT= 1.138730D+00 (bending) +ESC= 5.905271E+01 WEIGHT= 1.625800D-01 (SC local) +ETORS= 7.244510E+00 WEIGHT= 1.985990D+00 (torsional) +ETORSD= -2.026737E+00 WEIGHT= 1.570690D+00 (double torsional) +EHBP= 0.000000E+00 WEIGHT= 1.000000D+00 (SS bridges & dist. cnstr.) +ECORR4= -6.770850E+01 WEIGHT= 4.288700D-01 (multi-body) +ECORR5= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body) +ECORR6= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body) +EELLO= 3.308964E+00 WEIGHT= 1.603600D-01 (electrostatic-local) +ETURN3= 1.675411E+01 WEIGHT= 1.687220D+00 (turns, 3rd order) +ETURN4= -7.434265E-01 WEIGHT= 6.623000D-01 (turns, 4th order) +ETURN6= 0.000000E+00 WEIGHT= 0.000000D+00 (turns, 6th order) +ESCCOR= 0.000000E+00 WEIGHT= 0.000000D+00 (backbone-rotamer corr) +EDIHC= 0.000000E+00 (dihedral angle constraints) +ESS= 0.000000E+00 (disulfide-bridge intrinsic energy) +UCONST= 0.000000E+00 (Constraint energy) +EDFAD= 2.377498-315 (DFA distance energy) +EDFAT= 6.953299-310 (DFA torsion energy) +EDFAN= 1.976263-323 (DFA NCa energy) +EDFAB= 8.487983-314 (DFA Beta energy) +ETOT= -8.424745E+01 (total) +RMS deviation from the reference structure: 5.388 + % of native contacts: 33.333 + % of nonnative contacts: 80.000 + contact order: 0.230 + TM-score with the reference structure: 0.29 +Conformation # 157 + +Virtual-chain energies: + +EVDW= -5.147910E+01 WEIGHT= 1.352790D+00 (SC-SC) +EVDW2= 4.633668E+01 WEIGHT= 1.593040D+00 (SC-p) +EES= -9.433806E+01 WEIGHT= 7.153400D-01 (p-p) +EVDWPP= -2.368878E+01 WEIGHT= 1.137100D-01 (p-p VDW) +ESTR= 0.000000E+00 WEIGHT= 1.000000D+00 (stretching) +EBE= -4.131296E+01 WEIGHT= 1.138730D+00 (bending) +ESC= 3.050285E+01 WEIGHT= 1.625800D-01 (SC local) +ETORS= 1.189208E+01 WEIGHT= 1.985990D+00 (torsional) +ETORSD= -1.180633E+00 WEIGHT= 1.570690D+00 (double torsional) +EHBP= 0.000000E+00 WEIGHT= 1.000000D+00 (SS bridges & dist. cnstr.) +ECORR4= -6.699077E+01 WEIGHT= 4.288700D-01 (multi-body) +ECORR5= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body) +ECORR6= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body) +EELLO= -2.127433E+00 WEIGHT= 1.603600D-01 (electrostatic-local) +ETURN3= 1.639522E+01 WEIGHT= 1.687220D+00 (turns, 3rd order) +ETURN4= 1.167347E+00 WEIGHT= 6.623000D-01 (turns, 4th order) +ETURN6= 0.000000E+00 WEIGHT= 0.000000D+00 (turns, 6th order) +ESCCOR= 0.000000E+00 WEIGHT= 0.000000D+00 (backbone-rotamer corr) +EDIHC= 0.000000E+00 (dihedral angle constraints) +ESS= 0.000000E+00 (disulfide-bridge intrinsic energy) +UCONST= 0.000000E+00 (Constraint energy) +EDFAD= 2.377498-315 (DFA distance energy) +EDFAT= 6.953299-310 (DFA torsion energy) +EDFAN= 1.976263-323 (DFA NCa energy) +EDFAB= 8.487983-314 (DFA Beta energy) +ETOT= -8.695970E+01 (total) +RMS deviation from the reference structure: 3.789 + % of native contacts: 33.333 + % of nonnative contacts: 80.000 + contact order: 0.393 + TM-score with the reference structure: 0.26 +Conformation # 158 + +Virtual-chain energies: + +EVDW= -5.595943E+01 WEIGHT= 1.352790D+00 (SC-SC) +EVDW2= 4.650350E+01 WEIGHT= 1.593040D+00 (SC-p) +EES= -8.998444E+01 WEIGHT= 7.153400D-01 (p-p) +EVDWPP= -2.278258E+01 WEIGHT= 1.137100D-01 (p-p VDW) +ESTR= 0.000000E+00 WEIGHT= 1.000000D+00 (stretching) +EBE= -3.883673E+01 WEIGHT= 1.138730D+00 (bending) +ESC= 4.943259E+01 WEIGHT= 1.625800D-01 (SC local) +ETORS= 1.043143E+01 WEIGHT= 1.985990D+00 (torsional) +ETORSD= -1.731756E+00 WEIGHT= 1.570690D+00 (double torsional) +EHBP= 0.000000E+00 WEIGHT= 1.000000D+00 (SS bridges & dist. cnstr.) +ECORR4= -6.305538E+01 WEIGHT= 4.288700D-01 (multi-body) +ECORR5= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body) +ECORR6= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body) +EELLO= 1.827442E+00 WEIGHT= 1.603600D-01 (electrostatic-local) +ETURN3= 1.947154E+01 WEIGHT= 1.687220D+00 (turns, 3rd order) +ETURN4= -5.488161E+00 WEIGHT= 6.623000D-01 (turns, 4th order) +ETURN6= 0.000000E+00 WEIGHT= 0.000000D+00 (turns, 6th order) +ESCCOR= 0.000000E+00 WEIGHT= 0.000000D+00 (backbone-rotamer corr) +EDIHC= 0.000000E+00 (dihedral angle constraints) +ESS= 0.000000E+00 (disulfide-bridge intrinsic energy) +UCONST= 0.000000E+00 (Constraint energy) +EDFAD= 2.377498-315 (DFA distance energy) +EDFAT= 6.953299-310 (DFA torsion energy) +EDFAN= 1.976263-323 (DFA NCa energy) +EDFAB= 8.487983-314 (DFA Beta energy) +ETOT= -8.430218E+01 (total) +RMS deviation from the reference structure: 7.144 + % of native contacts: 16.667 + % of nonnative contacts: 90.000 + contact order: 0.270 + TM-score with the reference structure: 0.30 +Conformation # 159 + +Virtual-chain energies: + +EVDW= -5.279788E+01 WEIGHT= 1.352790D+00 (SC-SC) +EVDW2= 4.320685E+01 WEIGHT= 1.593040D+00 (SC-p) +EES= -8.623059E+01 WEIGHT= 7.153400D-01 (p-p) +EVDWPP= -1.609650E+01 WEIGHT= 1.137100D-01 (p-p VDW) +ESTR= 0.000000E+00 WEIGHT= 1.000000D+00 (stretching) +EBE= -3.956218E+01 WEIGHT= 1.138730D+00 (bending) +ESC= 5.898284E+01 WEIGHT= 1.625800D-01 (SC local) +ETORS= 9.671272E+00 WEIGHT= 1.985990D+00 (torsional) +ETORSD= -1.971715E+00 WEIGHT= 1.570690D+00 (double torsional) +EHBP= 0.000000E+00 WEIGHT= 1.000000D+00 (SS bridges & dist. cnstr.) +ECORR4= -6.391223E+01 WEIGHT= 4.288700D-01 (multi-body) +ECORR5= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body) +ECORR6= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body) +EELLO= -1.117558E+00 WEIGHT= 1.603600D-01 (electrostatic-local) +ETURN3= 1.837988E+01 WEIGHT= 1.687220D+00 (turns, 3rd order) +ETURN4= -4.530384E+00 WEIGHT= 6.623000D-01 (turns, 4th order) +ETURN6= 0.000000E+00 WEIGHT= 0.000000D+00 (turns, 6th order) +ESCCOR= 0.000000E+00 WEIGHT= 0.000000D+00 (backbone-rotamer corr) +EDIHC= 0.000000E+00 (dihedral angle constraints) +ESS= 0.000000E+00 (disulfide-bridge intrinsic energy) +UCONST= 0.000000E+00 (Constraint energy) +EDFAD= 2.377498-315 (DFA distance energy) +EDFAT= 6.953299-310 (DFA torsion energy) +EDFAN= 1.976263-323 (DFA NCa energy) +EDFAB= 8.487983-314 (DFA Beta energy) +ETOT= -8.503867E+01 (total) +RMS deviation from the reference structure: 4.715 + % of native contacts: 41.667 + % of nonnative contacts: 73.684 + contact order: 0.337 + TM-score with the reference structure: 0.31 +Conformation # 160 + +Virtual-chain energies: + +EVDW= -5.228108E+01 WEIGHT= 1.352790D+00 (SC-SC) +EVDW2= 4.964236E+01 WEIGHT= 1.593040D+00 (SC-p) +EES= -9.320658E+01 WEIGHT= 7.153400D-01 (p-p) +EVDWPP= -2.852553E+01 WEIGHT= 1.137100D-01 (p-p VDW) +ESTR= 0.000000E+00 WEIGHT= 1.000000D+00 (stretching) +EBE= -3.819485E+01 WEIGHT= 1.138730D+00 (bending) +ESC= 4.190531E+01 WEIGHT= 1.625800D-01 (SC local) +ETORS= 8.954316E+00 WEIGHT= 1.985990D+00 (torsional) +ETORSD= -2.031568E+00 WEIGHT= 1.570690D+00 (double torsional) +EHBP= 0.000000E+00 WEIGHT= 1.000000D+00 (SS bridges & dist. cnstr.) +ECORR4= -6.496078E+01 WEIGHT= 4.288700D-01 (multi-body) +ECORR5= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body) +ECORR6= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body) +EELLO= -2.981529E-01 WEIGHT= 1.603600D-01 (electrostatic-local) +ETURN3= 1.625953E+01 WEIGHT= 1.687220D+00 (turns, 3rd order) +ETURN4= 4.057453E-01 WEIGHT= 6.623000D-01 (turns, 4th order) +ETURN6= 0.000000E+00 WEIGHT= 0.000000D+00 (turns, 6th order) +ESCCOR= 0.000000E+00 WEIGHT= 0.000000D+00 (backbone-rotamer corr) +EDIHC= 0.000000E+00 (dihedral angle constraints) +ESS= 0.000000E+00 (disulfide-bridge intrinsic energy) +UCONST= 0.000000E+00 (Constraint energy) +EDFAD= 2.377498-315 (DFA distance energy) +EDFAT= 6.953299-310 (DFA torsion energy) +EDFAN= 1.976263-323 (DFA NCa energy) +EDFAB= 8.487983-314 (DFA Beta energy) +ETOT= -8.385496E+01 (total) +RMS deviation from the reference structure: 4.542 + % of native contacts: 41.667 + % of nonnative contacts: 76.190 + contact order: 0.294 + TM-score with the reference structure: 0.28 +Conformation # 161 + +Virtual-chain energies: + +EVDW= -5.365630E+01 WEIGHT= 1.352790D+00 (SC-SC) +EVDW2= 4.783554E+01 WEIGHT= 1.593040D+00 (SC-p) +EES= -8.158657E+01 WEIGHT= 7.153400D-01 (p-p) +EVDWPP= -4.130717E+01 WEIGHT= 1.137100D-01 (p-p VDW) +ESTR= 0.000000E+00 WEIGHT= 1.000000D+00 (stretching) +EBE= -3.800202E+01 WEIGHT= 1.138730D+00 (bending) +ESC= 3.046999E+01 WEIGHT= 1.625800D-01 (SC local) +ETORS= 7.342563E+00 WEIGHT= 1.985990D+00 (torsional) +ETORSD= 8.754029E-02 WEIGHT= 1.570690D+00 (double torsional) +EHBP= 0.000000E+00 WEIGHT= 1.000000D+00 (SS bridges & dist. cnstr.) +ECORR4= -6.094887E+01 WEIGHT= 4.288700D-01 (multi-body) +ECORR5= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body) +ECORR6= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body) +EELLO= -5.988724E+00 WEIGHT= 1.603600D-01 (electrostatic-local) +ETURN3= 1.313683E+01 WEIGHT= 1.687220D+00 (turns, 3rd order) +ETURN4= -1.659102E+00 WEIGHT= 6.623000D-01 (turns, 4th order) +ETURN6= 0.000000E+00 WEIGHT= 0.000000D+00 (turns, 6th order) +ESCCOR= 0.000000E+00 WEIGHT= 0.000000D+00 (backbone-rotamer corr) +EDIHC= 0.000000E+00 (dihedral angle constraints) +ESS= 0.000000E+00 (disulfide-bridge intrinsic energy) +UCONST= 0.000000E+00 (Constraint energy) +EDFAD= 2.377498-315 (DFA distance energy) +EDFAT= 6.953299-310 (DFA torsion energy) +EDFAN= 1.976263-323 (DFA NCa energy) +EDFAB= 8.487983-314 (DFA Beta energy) +ETOT= -8.907503E+01 (total) +RMS deviation from the reference structure: 3.731 + % of native contacts: 41.667 + % of nonnative contacts: 78.261 + contact order: 0.399 + TM-score with the reference structure: 0.29 +Conformation # 162 + +Virtual-chain energies: + +EVDW= -5.297241E+01 WEIGHT= 1.352790D+00 (SC-SC) +EVDW2= 4.274991E+01 WEIGHT= 1.593040D+00 (SC-p) +EES= -8.752533E+01 WEIGHT= 7.153400D-01 (p-p) +EVDWPP= -2.449287E+01 WEIGHT= 1.137100D-01 (p-p VDW) +ESTR= 0.000000E+00 WEIGHT= 1.000000D+00 (stretching) +EBE= -3.874614E+01 WEIGHT= 1.138730D+00 (bending) +ESC= 3.442281E+01 WEIGHT= 1.625800D-01 (SC local) +ETORS= 9.875978E+00 WEIGHT= 1.985990D+00 (torsional) +ETORSD= -1.382058E+00 WEIGHT= 1.570690D+00 (double torsional) +EHBP= 0.000000E+00 WEIGHT= 1.000000D+00 (SS bridges & dist. cnstr.) +ECORR4= -6.481851E+01 WEIGHT= 4.288700D-01 (multi-body) +ECORR5= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body) +ECORR6= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body) +EELLO= -2.104275E+00 WEIGHT= 1.603600D-01 (electrostatic-local) +ETURN3= 1.906682E+01 WEIGHT= 1.687220D+00 (turns, 3rd order) +ETURN4= -1.688554E+00 WEIGHT= 6.623000D-01 (turns, 4th order) +ETURN6= 0.000000E+00 WEIGHT= 0.000000D+00 (turns, 6th order) +ESCCOR= 0.000000E+00 WEIGHT= 0.000000D+00 (backbone-rotamer corr) +EDIHC= 0.000000E+00 (dihedral angle constraints) +ESS= 0.000000E+00 (disulfide-bridge intrinsic energy) +UCONST= 0.000000E+00 (Constraint energy) +EDFAD= 2.377498-315 (DFA distance energy) +EDFAT= 6.953299-310 (DFA torsion energy) +EDFAN= 1.976263-323 (DFA NCa energy) +EDFAB= 8.487983-314 (DFA Beta energy) +ETOT= -8.712038E+01 (total) +RMS deviation from the reference structure: 3.306 + % of native contacts: 41.667 + % of nonnative contacts: 76.190 + contact order: 0.333 + TM-score with the reference structure: 0.30 +Conformation # 163 + +Virtual-chain energies: + +EVDW= -5.413707E+01 WEIGHT= 1.352790D+00 (SC-SC) +EVDW2= 4.954998E+01 WEIGHT= 1.593040D+00 (SC-p) +EES= -9.679720E+01 WEIGHT= 7.153400D-01 (p-p) +EVDWPP= -2.856148E+01 WEIGHT= 1.137100D-01 (p-p VDW) +ESTR= 0.000000E+00 WEIGHT= 1.000000D+00 (stretching) +EBE= -4.094019E+01 WEIGHT= 1.138730D+00 (bending) +ESC= 2.948753E+01 WEIGHT= 1.625800D-01 (SC local) +ETORS= 1.011391E+01 WEIGHT= 1.985990D+00 (torsional) +ETORSD= 1.502157E+00 WEIGHT= 1.570690D+00 (double torsional) +EHBP= 0.000000E+00 WEIGHT= 1.000000D+00 (SS bridges & dist. cnstr.) +ECORR4= -6.710999E+01 WEIGHT= 4.288700D-01 (multi-body) +ECORR5= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body) +ECORR6= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body) +EELLO= -4.607027E+00 WEIGHT= 1.603600D-01 (electrostatic-local) +ETURN3= 1.617396E+01 WEIGHT= 1.687220D+00 (turns, 3rd order) +ETURN4= 7.682222E-01 WEIGHT= 6.623000D-01 (turns, 4th order) +ETURN6= 0.000000E+00 WEIGHT= 0.000000D+00 (turns, 6th order) +ESCCOR= 0.000000E+00 WEIGHT= 0.000000D+00 (backbone-rotamer corr) +EDIHC= 0.000000E+00 (dihedral angle constraints) +ESS= 0.000000E+00 (disulfide-bridge intrinsic energy) +UCONST= 0.000000E+00 (Constraint energy) +EDFAD= 2.377498-315 (DFA distance energy) +EDFAT= 6.953299-310 (DFA torsion energy) +EDFAN= 1.976263-323 (DFA NCa energy) +EDFAB= 8.487983-314 (DFA Beta energy) +ETOT= -8.789424E+01 (total) +RMS deviation from the reference structure: 4.237 + % of native contacts: 33.333 + % of nonnative contacts: 81.818 + contact order: 0.382 + TM-score with the reference structure: 0.22 +Conformation # 164 + +Virtual-chain energies: + +EVDW= -5.313241E+01 WEIGHT= 1.352790D+00 (SC-SC) +EVDW2= 4.463756E+01 WEIGHT= 1.593040D+00 (SC-p) +EES= -8.413626E+01 WEIGHT= 7.153400D-01 (p-p) +EVDWPP= -3.015790E+01 WEIGHT= 1.137100D-01 (p-p VDW) +ESTR= 0.000000E+00 WEIGHT= 1.000000D+00 (stretching) +EBE= -3.651385E+01 WEIGHT= 1.138730D+00 (bending) +ESC= 2.545178E+01 WEIGHT= 1.625800D-01 (SC local) +ETORS= 8.548845E+00 WEIGHT= 1.985990D+00 (torsional) +ETORSD= -1.278906E+00 WEIGHT= 1.570690D+00 (double torsional) +EHBP= 0.000000E+00 WEIGHT= 1.000000D+00 (SS bridges & dist. cnstr.) +ECORR4= -6.113233E+01 WEIGHT= 4.288700D-01 (multi-body) +ECORR5= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body) +ECORR6= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body) +EELLO= 4.911370E+00 WEIGHT= 1.603600D-01 (electrostatic-local) +ETURN3= 1.596022E+01 WEIGHT= 1.687220D+00 (turns, 3rd order) +ETURN4= 2.487297E+00 WEIGHT= 6.623000D-01 (turns, 4th order) +ETURN6= 0.000000E+00 WEIGHT= 0.000000D+00 (turns, 6th order) +ESCCOR= 0.000000E+00 WEIGHT= 0.000000D+00 (backbone-rotamer corr) +EDIHC= 0.000000E+00 (dihedral angle constraints) +ESS= 0.000000E+00 (disulfide-bridge intrinsic energy) +UCONST= 0.000000E+00 (Constraint energy) +EDFAD= 2.377498-315 (DFA distance energy) +EDFAT= 6.953299-310 (DFA torsion energy) +EDFAN= 1.976263-323 (DFA NCa energy) +EDFAB= 8.487983-314 (DFA Beta energy) +ETOT= -8.370968E+01 (total) +RMS deviation from the reference structure: 2.831 + % of native contacts: 66.667 + % of nonnative contacts: 57.895 + contact order: 0.344 + TM-score with the reference structure: 0.28 +Conformation # 165 + +Virtual-chain energies: + +EVDW= -5.153043E+01 WEIGHT= 1.352790D+00 (SC-SC) +EVDW2= 3.612541E+01 WEIGHT= 1.593040D+00 (SC-p) +EES= -6.648732E+01 WEIGHT= 7.153400D-01 (p-p) +EVDWPP= -2.668268E+01 WEIGHT= 1.137100D-01 (p-p VDW) +ESTR= 0.000000E+00 WEIGHT= 1.000000D+00 (stretching) +EBE= -3.891116E+01 WEIGHT= 1.138730D+00 (bending) +ESC= 3.558674E+01 WEIGHT= 1.625800D-01 (SC local) +ETORS= 8.961971E+00 WEIGHT= 1.985990D+00 (torsional) +ETORSD= -2.282328E+00 WEIGHT= 1.570690D+00 (double torsional) +EHBP= 0.000000E+00 WEIGHT= 1.000000D+00 (SS bridges & dist. cnstr.) +ECORR4= -4.938078E+01 WEIGHT= 4.288700D-01 (multi-body) +ECORR5= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body) +ECORR6= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body) +EELLO= 4.734269E-01 WEIGHT= 1.603600D-01 (electrostatic-local) +ETURN3= 1.432446E+01 WEIGHT= 1.687220D+00 (turns, 3rd order) +ETURN4= 3.015683E-01 WEIGHT= 6.623000D-01 (turns, 4th order) +ETURN6= 0.000000E+00 WEIGHT= 0.000000D+00 (turns, 6th order) +ESCCOR= 0.000000E+00 WEIGHT= 0.000000D+00 (backbone-rotamer corr) +EDIHC= 0.000000E+00 (dihedral angle constraints) +ESS= 0.000000E+00 (disulfide-bridge intrinsic energy) +UCONST= 0.000000E+00 (Constraint energy) +EDFAD= 2.377498-315 (DFA distance energy) +EDFAT= 6.953299-310 (DFA torsion energy) +EDFAN= 1.976263-323 (DFA NCa energy) +EDFAB= 8.487983-314 (DFA Beta energy) +ETOT= -8.379960E+01 (total) +RMS deviation from the reference structure: 5.136 + % of native contacts: 33.333 + % of nonnative contacts: 78.947 + contact order: 0.361 + TM-score with the reference structure: 0.29 +Conformation # 166 + +Virtual-chain energies: + +EVDW= -5.333372E+01 WEIGHT= 1.352790D+00 (SC-SC) +EVDW2= 4.214174E+01 WEIGHT= 1.593040D+00 (SC-p) +EES= -7.906326E+01 WEIGHT= 7.153400D-01 (p-p) +EVDWPP= -2.512722E+01 WEIGHT= 1.137100D-01 (p-p VDW) +ESTR= 0.000000E+00 WEIGHT= 1.000000D+00 (stretching) +EBE= -3.652211E+01 WEIGHT= 1.138730D+00 (bending) +ESC= 4.160302E+01 WEIGHT= 1.625800D-01 (SC local) +ETORS= 7.267970E+00 WEIGHT= 1.985990D+00 (torsional) +ETORSD= -1.908139E-01 WEIGHT= 1.570690D+00 (double torsional) +EHBP= 0.000000E+00 WEIGHT= 1.000000D+00 (SS bridges & dist. cnstr.) +ECORR4= -6.039359E+01 WEIGHT= 4.288700D-01 (multi-body) +ECORR5= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body) +ECORR6= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body) +EELLO= -2.218988E+00 WEIGHT= 1.603600D-01 (electrostatic-local) +ETURN3= 1.594634E+01 WEIGHT= 1.687220D+00 (turns, 3rd order) +ETURN4= -1.696019E+00 WEIGHT= 6.623000D-01 (turns, 4th order) +ETURN6= 0.000000E+00 WEIGHT= 0.000000D+00 (turns, 6th order) +ESCCOR= 0.000000E+00 WEIGHT= 0.000000D+00 (backbone-rotamer corr) +EDIHC= 0.000000E+00 (dihedral angle constraints) +ESS= 0.000000E+00 (disulfide-bridge intrinsic energy) +UCONST= 0.000000E+00 (Constraint energy) +EDFAD= 2.377498-315 (DFA distance energy) +EDFAT= 6.953299-310 (DFA torsion energy) +EDFAN= 1.976263-323 (DFA NCa energy) +EDFAB= 8.487983-314 (DFA Beta energy) +ETOT= -8.559590E+01 (total) +RMS deviation from the reference structure: 3.750 + % of native contacts: 41.667 + % of nonnative contacts: 76.190 + contact order: 0.310 + TM-score with the reference structure: 0.28 +Conformation # 167 + +Virtual-chain energies: + +EVDW= -5.233590E+01 WEIGHT= 1.352790D+00 (SC-SC) +EVDW2= 4.579514E+01 WEIGHT= 1.593040D+00 (SC-p) +EES= -8.564930E+01 WEIGHT= 7.153400D-01 (p-p) +EVDWPP= -3.120477E+01 WEIGHT= 1.137100D-01 (p-p VDW) +ESTR= 0.000000E+00 WEIGHT= 1.000000D+00 (stretching) +EBE= -3.894754E+01 WEIGHT= 1.138730D+00 (bending) +ESC= 4.277457E+01 WEIGHT= 1.625800D-01 (SC local) +ETORS= 7.104404E+00 WEIGHT= 1.985990D+00 (torsional) +ETORSD= 6.917440E-01 WEIGHT= 1.570690D+00 (double torsional) +EHBP= 0.000000E+00 WEIGHT= 1.000000D+00 (SS bridges & dist. cnstr.) +ECORR4= -6.483246E+01 WEIGHT= 4.288700D-01 (multi-body) +ECORR5= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body) +ECORR6= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body) +EELLO= -3.661145E+00 WEIGHT= 1.603600D-01 (electrostatic-local) +ETURN3= 1.583297E+01 WEIGHT= 1.687220D+00 (turns, 3rd order) +ETURN4= -2.424703E+00 WEIGHT= 6.623000D-01 (turns, 4th order) +ETURN6= 0.000000E+00 WEIGHT= 0.000000D+00 (turns, 6th order) +ESCCOR= 0.000000E+00 WEIGHT= 0.000000D+00 (backbone-rotamer corr) +EDIHC= 0.000000E+00 (dihedral angle constraints) +ESS= 0.000000E+00 (disulfide-bridge intrinsic energy) +UCONST= 0.000000E+00 (Constraint energy) +EDFAD= 2.377498-315 (DFA distance energy) +EDFAT= 6.953299-310 (DFA torsion energy) +EDFAN= 1.976263-323 (DFA NCa energy) +EDFAB= 8.487983-314 (DFA Beta energy) +ETOT= -8.814729E+01 (total) +RMS deviation from the reference structure: 2.874 + % of native contacts: 50.000 + % of nonnative contacts: 68.421 + contact order: 0.280 + TM-score with the reference structure: 0.30 +Conformation # 168 + +Virtual-chain energies: + +EVDW= -5.458793E+01 WEIGHT= 1.352790D+00 (SC-SC) +EVDW2= 4.766631E+01 WEIGHT= 1.593040D+00 (SC-p) +EES= -9.173342E+01 WEIGHT= 7.153400D-01 (p-p) +EVDWPP= -2.962083E+01 WEIGHT= 1.137100D-01 (p-p VDW) +ESTR= 0.000000E+00 WEIGHT= 1.000000D+00 (stretching) +EBE= -3.686263E+01 WEIGHT= 1.138730D+00 (bending) +ESC= 4.840518E+01 WEIGHT= 1.625800D-01 (SC local) +ETORS= 7.603432E+00 WEIGHT= 1.985990D+00 (torsional) +ETORSD= 1.583738E-01 WEIGHT= 1.570690D+00 (double torsional) +EHBP= 0.000000E+00 WEIGHT= 1.000000D+00 (SS bridges & dist. cnstr.) +ECORR4= -6.969786E+01 WEIGHT= 4.288700D-01 (multi-body) +ECORR5= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body) +ECORR6= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body) +EELLO= -5.235372E+00 WEIGHT= 1.603600D-01 (electrostatic-local) +ETURN3= 1.642394E+01 WEIGHT= 1.687220D+00 (turns, 3rd order) +ETURN4= -1.159021E+00 WEIGHT= 6.623000D-01 (turns, 4th order) +ETURN6= 0.000000E+00 WEIGHT= 0.000000D+00 (turns, 6th order) +ESCCOR= 0.000000E+00 WEIGHT= 0.000000D+00 (backbone-rotamer corr) +EDIHC= 0.000000E+00 (dihedral angle constraints) +ESS= 0.000000E+00 (disulfide-bridge intrinsic energy) +UCONST= 0.000000E+00 (Constraint energy) +EDFAD= 2.377498-315 (DFA distance energy) +EDFAT= 6.953299-310 (DFA torsion energy) +EDFAN= 1.976263-323 (DFA NCa energy) +EDFAB= 8.487983-314 (DFA Beta energy) +ETOT= -8.944589E+01 (total) +RMS deviation from the reference structure: 3.337 + % of native contacts: 66.667 + % of nonnative contacts: 65.217 + contact order: 0.292 + TM-score with the reference structure: 0.32 +Conformation # 169 + +Virtual-chain energies: + +EVDW= -5.590732E+01 WEIGHT= 1.352790D+00 (SC-SC) +EVDW2= 5.995853E+01 WEIGHT= 1.593040D+00 (SC-p) +EES= -1.141290E+02 WEIGHT= 7.153400D-01 (p-p) +EVDWPP= -2.105990E+01 WEIGHT= 1.137100D-01 (p-p VDW) +ESTR= 0.000000E+00 WEIGHT= 1.000000D+00 (stretching) +EBE= -3.856202E+01 WEIGHT= 1.138730D+00 (bending) +ESC= 3.525809E+01 WEIGHT= 1.625800D-01 (SC local) +ETORS= 1.175106E+01 WEIGHT= 1.985990D+00 (torsional) +ETORSD= 3.341591E-01 WEIGHT= 1.570690D+00 (double torsional) +EHBP= 0.000000E+00 WEIGHT= 1.000000D+00 (SS bridges & dist. cnstr.) +ECORR4= -8.129823E+01 WEIGHT= 4.288700D-01 (multi-body) +ECORR5= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body) +ECORR6= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body) +EELLO= -1.773622E+00 WEIGHT= 1.603600D-01 (electrostatic-local) +ETURN3= 1.723980E+01 WEIGHT= 1.687220D+00 (turns, 3rd order) +ETURN4= -2.179139E-01 WEIGHT= 6.623000D-01 (turns, 4th order) +ETURN6= 0.000000E+00 WEIGHT= 0.000000D+00 (turns, 6th order) +ESCCOR= 0.000000E+00 WEIGHT= 0.000000D+00 (backbone-rotamer corr) +EDIHC= 0.000000E+00 (dihedral angle constraints) +ESS= 0.000000E+00 (disulfide-bridge intrinsic energy) +UCONST= 0.000000E+00 (Constraint energy) +EDFAD= 2.377498-315 (DFA distance energy) +EDFAT= 6.953299-310 (DFA torsion energy) +EDFAN= 1.976263-323 (DFA NCa energy) +EDFAB= 8.487983-314 (DFA Beta energy) +ETOT= -8.467517E+01 (total) +RMS deviation from the reference structure: 4.091 + % of native contacts: 33.333 + % of nonnative contacts: 84.615 + contact order: 0.348 + TM-score with the reference structure: 0.29 +Conformation # 170 + +Virtual-chain energies: + +EVDW= -5.107685E+01 WEIGHT= 1.352790D+00 (SC-SC) +EVDW2= 4.019644E+01 WEIGHT= 1.593040D+00 (SC-p) +EES= -8.102648E+01 WEIGHT= 7.153400D-01 (p-p) +EVDWPP= -2.175857E+01 WEIGHT= 1.137100D-01 (p-p VDW) +ESTR= 0.000000E+00 WEIGHT= 1.000000D+00 (stretching) +EBE= -3.744361E+01 WEIGHT= 1.138730D+00 (bending) +ESC= 4.045474E+01 WEIGHT= 1.625800D-01 (SC local) +ETORS= 8.404197E+00 WEIGHT= 1.985990D+00 (torsional) +ETORSD= 1.085575E+00 WEIGHT= 1.570690D+00 (double torsional) +EHBP= 0.000000E+00 WEIGHT= 1.000000D+00 (SS bridges & dist. cnstr.) +ECORR4= -5.901861E+01 WEIGHT= 4.288700D-01 (multi-body) +ECORR5= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body) +ECORR6= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body) +EELLO= -2.145183E+00 WEIGHT= 1.603600D-01 (electrostatic-local) +ETURN3= 1.564513E+01 WEIGHT= 1.687220D+00 (turns, 3rd order) +ETURN4= -2.510831E+00 WEIGHT= 6.623000D-01 (turns, 4th order) +ETURN6= 0.000000E+00 WEIGHT= 0.000000D+00 (turns, 6th order) +ESCCOR= 0.000000E+00 WEIGHT= 0.000000D+00 (backbone-rotamer corr) +EDIHC= 0.000000E+00 (dihedral angle constraints) +ESS= 0.000000E+00 (disulfide-bridge intrinsic energy) +UCONST= 0.000000E+00 (Constraint energy) +EDFAD= 2.377498-315 (DFA distance energy) +EDFAT= 6.953299-310 (DFA torsion energy) +EDFAN= 1.976263-323 (DFA NCa energy) +EDFAB= 8.487983-314 (DFA Beta energy) +ETOT= -8.408412E+01 (total) +RMS deviation from the reference structure: 3.110 + % of native contacts: 33.333 + % of nonnative contacts: 76.471 + contact order: 0.299 + TM-score with the reference structure: 0.33 +Conformation # 171 + +Virtual-chain energies: + +EVDW= -5.217352E+01 WEIGHT= 1.352790D+00 (SC-SC) +EVDW2= 5.316961E+01 WEIGHT= 1.593040D+00 (SC-p) +EES= -1.069920E+02 WEIGHT= 7.153400D-01 (p-p) +EVDWPP= -2.892002E+01 WEIGHT= 1.137100D-01 (p-p VDW) +ESTR= 0.000000E+00 WEIGHT= 1.000000D+00 (stretching) +EBE= -3.772511E+01 WEIGHT= 1.138730D+00 (bending) +ESC= 4.512023E+01 WEIGHT= 1.625800D-01 (SC local) +ETORS= 1.107330E+01 WEIGHT= 1.985990D+00 (torsional) +ETORSD= -1.383318E+00 WEIGHT= 1.570690D+00 (double torsional) +EHBP= 0.000000E+00 WEIGHT= 1.000000D+00 (SS bridges & dist. cnstr.) +ECORR4= -8.063653E+01 WEIGHT= 4.288700D-01 (multi-body) +ECORR5= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body) +ECORR6= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body) +EELLO= -6.405779E+00 WEIGHT= 1.603600D-01 (electrostatic-local) +ETURN3= 1.858577E+01 WEIGHT= 1.687220D+00 (turns, 3rd order) +ETURN4= 4.245264E-01 WEIGHT= 6.623000D-01 (turns, 4th order) +ETURN6= 0.000000E+00 WEIGHT= 0.000000D+00 (turns, 6th order) +ESCCOR= 0.000000E+00 WEIGHT= 0.000000D+00 (backbone-rotamer corr) +EDIHC= 0.000000E+00 (dihedral angle constraints) +ESS= 0.000000E+00 (disulfide-bridge intrinsic energy) +UCONST= 0.000000E+00 (Constraint energy) +EDFAD= 2.377498-315 (DFA distance energy) +EDFAT= 6.953299-310 (DFA torsion energy) +EDFAN= 1.976263-323 (DFA NCa energy) +EDFAB= 8.487983-314 (DFA Beta energy) +ETOT= -8.547741E+01 (total) +RMS deviation from the reference structure: 3.320 + % of native contacts: 16.667 + % of nonnative contacts: 88.235 + contact order: 0.214 + TM-score with the reference structure: 0.30 +Conformation # 172 + +Virtual-chain energies: + +EVDW= -4.839580E+01 WEIGHT= 1.352790D+00 (SC-SC) +EVDW2= 4.889246E+01 WEIGHT= 1.593040D+00 (SC-p) +EES= -9.598716E+01 WEIGHT= 7.153400D-01 (p-p) +EVDWPP= -2.185314E+01 WEIGHT= 1.137100D-01 (p-p VDW) +ESTR= 0.000000E+00 WEIGHT= 1.000000D+00 (stretching) +EBE= -4.052576E+01 WEIGHT= 1.138730D+00 (bending) +ESC= 3.004324E+01 WEIGHT= 1.625800D-01 (SC local) +ETORS= 8.766751E+00 WEIGHT= 1.985990D+00 (torsional) +ETORSD= -1.798647E+00 WEIGHT= 1.570690D+00 (double torsional) +EHBP= 0.000000E+00 WEIGHT= 1.000000D+00 (SS bridges & dist. cnstr.) +ECORR4= -6.964569E+01 WEIGHT= 4.288700D-01 (multi-body) +ECORR5= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body) +ECORR6= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body) +EELLO= -3.281615E+00 WEIGHT= 1.603600D-01 (electrostatic-local) +ETURN3= 1.899722E+01 WEIGHT= 1.687220D+00 (turns, 3rd order) +ETURN4= -1.695619E+00 WEIGHT= 6.623000D-01 (turns, 4th order) +ETURN6= 0.000000E+00 WEIGHT= 0.000000D+00 (turns, 6th order) +ESCCOR= 0.000000E+00 WEIGHT= 0.000000D+00 (backbone-rotamer corr) +EDIHC= 0.000000E+00 (dihedral angle constraints) +ESS= 0.000000E+00 (disulfide-bridge intrinsic energy) +UCONST= 0.000000E+00 (Constraint energy) +EDFAD= 2.377498-315 (DFA distance energy) +EDFAT= 6.953299-310 (DFA torsion energy) +EDFAN= 1.976263-323 (DFA NCa energy) +EDFAB= 8.487983-314 (DFA Beta energy) +ETOT= -8.487372E+01 (total) +RMS deviation from the reference structure: 4.975 + % of native contacts: 25.000 + % of nonnative contacts: 84.211 + contact order: 0.347 + TM-score with the reference structure: 0.29 +Conformation # 173 + +Virtual-chain energies: + +EVDW= -5.015016E+01 WEIGHT= 1.352790D+00 (SC-SC) +EVDW2= 5.113225E+01 WEIGHT= 1.593040D+00 (SC-p) +EES= -9.474319E+01 WEIGHT= 7.153400D-01 (p-p) +EVDWPP= -2.682693E+01 WEIGHT= 1.137100D-01 (p-p VDW) +ESTR= 0.000000E+00 WEIGHT= 1.000000D+00 (stretching) +EBE= -4.151048E+01 WEIGHT= 1.138730D+00 (bending) +ESC= 3.973030E+01 WEIGHT= 1.625800D-01 (SC local) +ETORS= 1.190882E+01 WEIGHT= 1.985990D+00 (torsional) +ETORSD= -2.688993E+00 WEIGHT= 1.570690D+00 (double torsional) +EHBP= 0.000000E+00 WEIGHT= 1.000000D+00 (SS bridges & dist. cnstr.) +ECORR4= -7.420196E+01 WEIGHT= 4.288700D-01 (multi-body) +ECORR5= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body) +ECORR6= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body) +EELLO= 1.938213E+00 WEIGHT= 1.603600D-01 (electrostatic-local) +ETURN3= 1.491488E+01 WEIGHT= 1.687220D+00 (turns, 3rd order) +ETURN4= 2.365184E+00 WEIGHT= 6.623000D-01 (turns, 4th order) +ETURN6= 0.000000E+00 WEIGHT= 0.000000D+00 (turns, 6th order) +ESCCOR= 0.000000E+00 WEIGHT= 0.000000D+00 (backbone-rotamer corr) +EDIHC= 0.000000E+00 (dihedral angle constraints) +ESS= 0.000000E+00 (disulfide-bridge intrinsic energy) +UCONST= 0.000000E+00 (Constraint energy) +EDFAD= 2.377498-315 (DFA distance energy) +EDFAT= 6.953299-310 (DFA torsion energy) +EDFAN= 1.976263-323 (DFA NCa energy) +EDFAB= 8.487983-314 (DFA Beta energy) +ETOT= -8.337470E+01 (total) +RMS deviation from the reference structure: 3.069 + % of native contacts: 66.667 + % of nonnative contacts: 60.000 + contact order: 0.389 + TM-score with the reference structure: 0.26 +Conformation # 174 + +Virtual-chain energies: + +EVDW= -4.974371E+01 WEIGHT= 1.352790D+00 (SC-SC) +EVDW2= 6.138501E+01 WEIGHT= 1.593040D+00 (SC-p) +EES= -1.211902E+02 WEIGHT= 7.153400D-01 (p-p) +EVDWPP= -1.711637E+01 WEIGHT= 1.137100D-01 (p-p VDW) +ESTR= 0.000000E+00 WEIGHT= 1.000000D+00 (stretching) +EBE= -3.653084E+01 WEIGHT= 1.138730D+00 (bending) +ESC= 4.770948E+01 WEIGHT= 1.625800D-01 (SC local) +ETORS= 1.186215E+01 WEIGHT= 1.985990D+00 (torsional) +ETORSD= -2.161305E+00 WEIGHT= 1.570690D+00 (double torsional) +EHBP= 0.000000E+00 WEIGHT= 1.000000D+00 (SS bridges & dist. cnstr.) +ECORR4= -9.444581E+01 WEIGHT= 4.288700D-01 (multi-body) +ECORR5= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body) +ECORR6= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body) +EELLO= -8.220764E+00 WEIGHT= 1.603600D-01 (electrostatic-local) +ETURN3= 1.774769E+01 WEIGHT= 1.687220D+00 (turns, 3rd order) +ETURN4= -5.603037E+00 WEIGHT= 6.623000D-01 (turns, 4th order) +ETURN6= 0.000000E+00 WEIGHT= 0.000000D+00 (turns, 6th order) +ESCCOR= 0.000000E+00 WEIGHT= 0.000000D+00 (backbone-rotamer corr) +EDIHC= 0.000000E+00 (dihedral angle constraints) +ESS= 0.000000E+00 (disulfide-bridge intrinsic energy) +UCONST= 0.000000E+00 (Constraint energy) +EDFAD= 2.377498-315 (DFA distance energy) +EDFAT= 6.953299-310 (DFA torsion energy) +EDFAN= 1.976263-323 (DFA NCa energy) +EDFAB= 8.487983-314 (DFA Beta energy) +ETOT= -8.741118E+01 (total) +RMS deviation from the reference structure: 3.130 + % of native contacts: 58.333 + % of nonnative contacts: 66.667 + contact order: 0.286 + TM-score with the reference structure: 0.29 +Conformation # 175 + +Virtual-chain energies: + +EVDW= -5.137612E+01 WEIGHT= 1.352790D+00 (SC-SC) +EVDW2= 3.959966E+01 WEIGHT= 1.593040D+00 (SC-p) +EES= -6.740236E+01 WEIGHT= 7.153400D-01 (p-p) +EVDWPP= -2.806593E+01 WEIGHT= 1.137100D-01 (p-p VDW) +ESTR= 0.000000E+00 WEIGHT= 1.000000D+00 (stretching) +EBE= -3.958164E+01 WEIGHT= 1.138730D+00 (bending) +ESC= 3.555228E+01 WEIGHT= 1.625800D-01 (SC local) +ETORS= 8.263582E+00 WEIGHT= 1.985990D+00 (torsional) +ETORSD= -2.735827E+00 WEIGHT= 1.570690D+00 (double torsional) +EHBP= 0.000000E+00 WEIGHT= 1.000000D+00 (SS bridges & dist. cnstr.) +ECORR4= -5.165245E+01 WEIGHT= 4.288700D-01 (multi-body) +ECORR5= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body) +ECORR6= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body) +EELLO= 5.494240E-02 WEIGHT= 1.603600D-01 (electrostatic-local) +ETURN3= 1.400654E+01 WEIGHT= 1.687220D+00 (turns, 3rd order) +ETURN4= -1.689468E-01 WEIGHT= 6.623000D-01 (turns, 4th order) +ETURN6= 0.000000E+00 WEIGHT= 0.000000D+00 (turns, 6th order) +ESCCOR= 0.000000E+00 WEIGHT= 0.000000D+00 (backbone-rotamer corr) +EDIHC= 0.000000E+00 (dihedral angle constraints) +ESS= 0.000000E+00 (disulfide-bridge intrinsic energy) +UCONST= 0.000000E+00 (Constraint energy) +EDFAD= 2.377498-315 (DFA distance energy) +EDFAT= 6.953299-310 (DFA torsion energy) +EDFAN= 1.976263-323 (DFA NCa energy) +EDFAB= 8.487983-314 (DFA Beta energy) +ETOT= -8.362585E+01 (total) +RMS deviation from the reference structure: 5.668 + % of native contacts: 33.333 + % of nonnative contacts: 78.947 + contact order: 0.304 + TM-score with the reference structure: 0.33 +Conformation # 176 + +Virtual-chain energies: + +EVDW= -5.116510E+01 WEIGHT= 1.352790D+00 (SC-SC) +EVDW2= 3.887010E+01 WEIGHT= 1.593040D+00 (SC-p) +EES= -7.097210E+01 WEIGHT= 7.153400D-01 (p-p) +EVDWPP= -2.484460E+01 WEIGHT= 1.137100D-01 (p-p VDW) +ESTR= 0.000000E+00 WEIGHT= 1.000000D+00 (stretching) +EBE= -3.784298E+01 WEIGHT= 1.138730D+00 (bending) +ESC= 2.527594E+01 WEIGHT= 1.625800D-01 (SC local) +ETORS= 7.281864E+00 WEIGHT= 1.985990D+00 (torsional) +ETORSD= -1.724487E+00 WEIGHT= 1.570690D+00 (double torsional) +EHBP= 0.000000E+00 WEIGHT= 1.000000D+00 (SS bridges & dist. cnstr.) +ECORR4= -5.411070E+01 WEIGHT= 4.288700D-01 (multi-body) +ECORR5= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body) +ECORR6= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body) +EELLO= -9.196959E-01 WEIGHT= 1.603600D-01 (electrostatic-local) +ETURN3= 1.497571E+01 WEIGHT= 1.687220D+00 (turns, 3rd order) +ETURN4= -3.384316E-01 WEIGHT= 6.623000D-01 (turns, 4th order) +ETURN6= 0.000000E+00 WEIGHT= 0.000000D+00 (turns, 6th order) +ESCCOR= 0.000000E+00 WEIGHT= 0.000000D+00 (backbone-rotamer corr) +EDIHC= 0.000000E+00 (dihedral angle constraints) +ESS= 0.000000E+00 (disulfide-bridge intrinsic energy) +UCONST= 0.000000E+00 (Constraint energy) +EDFAD= 2.377498-315 (DFA distance energy) +EDFAT= 6.953299-310 (DFA torsion energy) +EDFAN= 1.976263-323 (DFA NCa energy) +EDFAB= 8.487983-314 (DFA Beta energy) +ETOT= -8.642954E+01 (total) +RMS deviation from the reference structure: 4.518 + % of native contacts: 33.333 + % of nonnative contacts: 80.952 + contact order: 0.400 + TM-score with the reference structure: 0.28 +Conformation # 177 + +Virtual-chain energies: + +EVDW= -5.659847E+01 WEIGHT= 1.352790D+00 (SC-SC) +EVDW2= 5.440378E+01 WEIGHT= 1.593040D+00 (SC-p) +EES= -1.058589E+02 WEIGHT= 7.153400D-01 (p-p) +EVDWPP= -3.206716E+01 WEIGHT= 1.137100D-01 (p-p VDW) +ESTR= 0.000000E+00 WEIGHT= 1.000000D+00 (stretching) +EBE= -3.555448E+01 WEIGHT= 1.138730D+00 (bending) +ESC= 5.100877E+01 WEIGHT= 1.625800D-01 (SC local) +ETORS= 1.252722E+01 WEIGHT= 1.985990D+00 (torsional) +ETORSD= -2.967396E+00 WEIGHT= 1.570690D+00 (double torsional) +EHBP= 0.000000E+00 WEIGHT= 1.000000D+00 (SS bridges & dist. cnstr.) +ECORR4= -8.295317E+01 WEIGHT= 4.288700D-01 (multi-body) +ECORR5= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body) +ECORR6= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body) +EELLO= -8.453020E+00 WEIGHT= 1.603600D-01 (electrostatic-local) +ETURN3= 1.901768E+01 WEIGHT= 1.687220D+00 (turns, 3rd order) +ETURN4= 2.616127E+00 WEIGHT= 6.623000D-01 (turns, 4th order) +ETURN6= 0.000000E+00 WEIGHT= 0.000000D+00 (turns, 6th order) +ESCCOR= 0.000000E+00 WEIGHT= 0.000000D+00 (backbone-rotamer corr) +EDIHC= 0.000000E+00 (dihedral angle constraints) +ESS= 0.000000E+00 (disulfide-bridge intrinsic energy) +UCONST= 0.000000E+00 (Constraint energy) +EDFAD= 2.377498-315 (DFA distance energy) +EDFAT= 6.953299-310 (DFA torsion energy) +EDFAN= 1.976263-323 (DFA NCa energy) +EDFAB= 8.487983-314 (DFA Beta energy) +ETOT= -8.435779E+01 (total) +RMS deviation from the reference structure: 2.834 + % of native contacts: 41.667 + % of nonnative contacts: 79.167 + contact order: 0.343 + TM-score with the reference structure: 0.33 +Conformation # 178 + +Virtual-chain energies: + +EVDW= -4.943523E+01 WEIGHT= 1.352790D+00 (SC-SC) +EVDW2= 3.215547E+01 WEIGHT= 1.593040D+00 (SC-p) +EES= -4.837284E+01 WEIGHT= 7.153400D-01 (p-p) +EVDWPP= -3.382276E+01 WEIGHT= 1.137100D-01 (p-p VDW) +ESTR= 0.000000E+00 WEIGHT= 1.000000D+00 (stretching) +EBE= -3.905376E+01 WEIGHT= 1.138730D+00 (bending) +ESC= 3.200206E+01 WEIGHT= 1.625800D-01 (SC local) +ETORS= 4.610562E+00 WEIGHT= 1.985990D+00 (torsional) +ETORSD= -5.186087E-01 WEIGHT= 1.570690D+00 (double torsional) +EHBP= 0.000000E+00 WEIGHT= 1.000000D+00 (SS bridges & dist. cnstr.) +ECORR4= -3.289174E+01 WEIGHT= 4.288700D-01 (multi-body) +ECORR5= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body) +ECORR6= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body) +EELLO= 2.475589E+00 WEIGHT= 1.603600D-01 (electrostatic-local) +ETURN3= 9.173584E+00 WEIGHT= 1.687220D+00 (turns, 3rd order) +ETURN4= -1.560244E+00 WEIGHT= 6.623000D-01 (turns, 4th order) +ETURN6= 0.000000E+00 WEIGHT= 0.000000D+00 (turns, 6th order) +ESCCOR= 0.000000E+00 WEIGHT= 0.000000D+00 (backbone-rotamer corr) +EDIHC= 0.000000E+00 (dihedral angle constraints) +ESS= 0.000000E+00 (disulfide-bridge intrinsic energy) +UCONST= 0.000000E+00 (Constraint energy) +EDFAD= 2.377498-315 (DFA distance energy) +EDFAT= 6.953299-310 (DFA torsion energy) +EDFAN= 1.976263-323 (DFA NCa energy) +EDFAB= 8.487983-314 (DFA Beta energy) +ETOT= -8.429116E+01 (total) +RMS deviation from the reference structure: 5.777 + % of native contacts: 33.333 + % of nonnative contacts: 71.429 + contact order: 0.370 + TM-score with the reference structure: 0.26 +Conformation # 179 + +Virtual-chain energies: + +EVDW= -5.042477E+01 WEIGHT= 1.352790D+00 (SC-SC) +EVDW2= 5.031553E+01 WEIGHT= 1.593040D+00 (SC-p) +EES= -9.977371E+01 WEIGHT= 7.153400D-01 (p-p) +EVDWPP= -3.150960E+01 WEIGHT= 1.137100D-01 (p-p VDW) +ESTR= 0.000000E+00 WEIGHT= 1.000000D+00 (stretching) +EBE= -4.137173E+01 WEIGHT= 1.138730D+00 (bending) +ESC= 4.365134E+01 WEIGHT= 1.625800D-01 (SC local) +ETORS= 9.826290E+00 WEIGHT= 1.985990D+00 (torsional) +ETORSD= 1.139936E+00 WEIGHT= 1.570690D+00 (double torsional) +EHBP= 0.000000E+00 WEIGHT= 1.000000D+00 (SS bridges & dist. cnstr.) +ECORR4= -7.122866E+01 WEIGHT= 4.288700D-01 (multi-body) +ECORR5= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body) +ECORR6= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body) +EELLO= -2.376003E+00 WEIGHT= 1.603600D-01 (electrostatic-local) +ETURN3= 1.812842E+01 WEIGHT= 1.687220D+00 (turns, 3rd order) +ETURN4= -3.968979E+00 WEIGHT= 6.623000D-01 (turns, 4th order) +ETURN6= 0.000000E+00 WEIGHT= 0.000000D+00 (turns, 6th order) +ESCCOR= 0.000000E+00 WEIGHT= 0.000000D+00 (backbone-rotamer corr) +EDIHC= 0.000000E+00 (dihedral angle constraints) +ESS= 0.000000E+00 (disulfide-bridge intrinsic energy) +UCONST= 0.000000E+00 (Constraint energy) +EDFAD= 2.377498-315 (DFA distance energy) +EDFAT= 6.953299-310 (DFA torsion energy) +EDFAN= 1.976263-323 (DFA NCa energy) +EDFAB= 8.487983-314 (DFA Beta energy) +ETOT= -8.469444E+01 (total) +RMS deviation from the reference structure: 3.290 + % of native contacts: 41.667 + % of nonnative contacts: 75.000 + contact order: 0.327 + TM-score with the reference structure: 0.28 +Conformation # 180 + +Virtual-chain energies: + +EVDW= -5.294899E+01 WEIGHT= 1.352790D+00 (SC-SC) +EVDW2= 4.812382E+01 WEIGHT= 1.593040D+00 (SC-p) +EES= -9.213611E+01 WEIGHT= 7.153400D-01 (p-p) +EVDWPP= -2.157043E+01 WEIGHT= 1.137100D-01 (p-p VDW) +ESTR= 0.000000E+00 WEIGHT= 1.000000D+00 (stretching) +EBE= -3.855573E+01 WEIGHT= 1.138730D+00 (bending) +ESC= 3.654537E+01 WEIGHT= 1.625800D-01 (SC local) +ETORS= 8.779049E+00 WEIGHT= 1.985990D+00 (torsional) +ETORSD= -1.219930E+00 WEIGHT= 1.570690D+00 (double torsional) +EHBP= 0.000000E+00 WEIGHT= 1.000000D+00 (SS bridges & dist. cnstr.) +ECORR4= -6.978886E+01 WEIGHT= 4.288700D-01 (multi-body) +ECORR5= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body) +ECORR6= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body) +EELLO= -4.539114E+00 WEIGHT= 1.603600D-01 (electrostatic-local) +ETURN3= 1.824649E+01 WEIGHT= 1.687220D+00 (turns, 3rd order) +ETURN4= -2.513985E+00 WEIGHT= 6.623000D-01 (turns, 4th order) +ETURN6= 0.000000E+00 WEIGHT= 0.000000D+00 (turns, 6th order) +ESCCOR= 0.000000E+00 WEIGHT= 0.000000D+00 (backbone-rotamer corr) +EDIHC= 0.000000E+00 (dihedral angle constraints) +ESS= 0.000000E+00 (disulfide-bridge intrinsic energy) +UCONST= 0.000000E+00 (Constraint energy) +EDFAD= 2.377498-315 (DFA distance energy) +EDFAT= 6.953299-310 (DFA torsion energy) +EDFAN= 1.976263-323 (DFA NCa energy) +EDFAB= 8.487983-314 (DFA Beta energy) +ETOT= -8.730857E+01 (total) +RMS deviation from the reference structure: 6.420 + % of native contacts: 16.667 + % of nonnative contacts: 89.474 + contact order: 0.242 + TM-score with the reference structure: 0.29 +Conformation # 181 + +Virtual-chain energies: + +EVDW= -5.167434E+01 WEIGHT= 1.352790D+00 (SC-SC) +EVDW2= 5.104411E+01 WEIGHT= 1.593040D+00 (SC-p) +EES= -1.084604E+02 WEIGHT= 7.153400D-01 (p-p) +EVDWPP= -2.602443E+01 WEIGHT= 1.137100D-01 (p-p VDW) +ESTR= 0.000000E+00 WEIGHT= 1.000000D+00 (stretching) +EBE= -3.813913E+01 WEIGHT= 1.138730D+00 (bending) +ESC= 4.983672E+01 WEIGHT= 1.625800D-01 (SC local) +ETORS= 1.253011E+01 WEIGHT= 1.985990D+00 (torsional) +ETORSD= -2.084881E+00 WEIGHT= 1.570690D+00 (double torsional) +EHBP= 0.000000E+00 WEIGHT= 1.000000D+00 (SS bridges & dist. cnstr.) +ECORR4= -8.355084E+01 WEIGHT= 4.288700D-01 (multi-body) +ECORR5= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body) +ECORR6= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body) +EELLO= -2.785905E-01 WEIGHT= 1.603600D-01 (electrostatic-local) +ETURN3= 2.099811E+01 WEIGHT= 1.687220D+00 (turns, 3rd order) +ETURN4= -2.656317E+00 WEIGHT= 6.623000D-01 (turns, 4th order) +ETURN6= 0.000000E+00 WEIGHT= 0.000000D+00 (turns, 6th order) +ESCCOR= 0.000000E+00 WEIGHT= 0.000000D+00 (backbone-rotamer corr) +EDIHC= 0.000000E+00 (dihedral angle constraints) +ESS= 0.000000E+00 (disulfide-bridge intrinsic energy) +UCONST= 0.000000E+00 (Constraint energy) +EDFAD= 2.377498-315 (DFA distance energy) +EDFAT= 6.953299-310 (DFA torsion energy) +EDFAN= 1.976263-323 (DFA NCa energy) +EDFAB= 8.487983-314 (DFA Beta energy) +ETOT= -8.506024E+01 (total) +RMS deviation from the reference structure: 3.374 + % of native contacts: 33.333 + % of nonnative contacts: 78.947 + contact order: 0.189 + TM-score with the reference structure: 0.28 +Conformation # 182 + +Virtual-chain energies: + +EVDW= -5.183765E+01 WEIGHT= 1.352790D+00 (SC-SC) +EVDW2= 4.743468E+01 WEIGHT= 1.593040D+00 (SC-p) +EES= -9.154358E+01 WEIGHT= 7.153400D-01 (p-p) +EVDWPP= -2.167393E+01 WEIGHT= 1.137100D-01 (p-p VDW) +ESTR= 0.000000E+00 WEIGHT= 1.000000D+00 (stretching) +EBE= -3.499152E+01 WEIGHT= 1.138730D+00 (bending) +ESC= 3.142622E+01 WEIGHT= 1.625800D-01 (SC local) +ETORS= 1.130861E+01 WEIGHT= 1.985990D+00 (torsional) +ETORSD= -3.803468E+00 WEIGHT= 1.570690D+00 (double torsional) +EHBP= 0.000000E+00 WEIGHT= 1.000000D+00 (SS bridges & dist. cnstr.) +ECORR4= -6.666203E+01 WEIGHT= 4.288700D-01 (multi-body) +ECORR5= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body) +ECORR6= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body) +EELLO= -4.392360E+00 WEIGHT= 1.603600D-01 (electrostatic-local) +ETURN3= 1.499058E+01 WEIGHT= 1.687220D+00 (turns, 3rd order) +ETURN4= -4.416254E-01 WEIGHT= 6.623000D-01 (turns, 4th order) +ETURN6= 0.000000E+00 WEIGHT= 0.000000D+00 (turns, 6th order) +ESCCOR= 0.000000E+00 WEIGHT= 0.000000D+00 (backbone-rotamer corr) +EDIHC= 0.000000E+00 (dihedral angle constraints) +ESS= 0.000000E+00 (disulfide-bridge intrinsic energy) +UCONST= 0.000000E+00 (Constraint energy) +EDFAD= 2.377498-315 (DFA distance energy) +EDFAT= 6.953299-310 (DFA torsion energy) +EDFAN= 1.976263-323 (DFA NCa energy) +EDFAB= 8.487983-314 (DFA Beta energy) +ETOT= -8.505513E+01 (total) +RMS deviation from the reference structure: 4.486 + % of native contacts: 33.333 + % of nonnative contacts: 80.952 + contact order: 0.335 + TM-score with the reference structure: 0.30 +Conformation # 183 + +Virtual-chain energies: + +EVDW= -5.290662E+01 WEIGHT= 1.352790D+00 (SC-SC) +EVDW2= 5.203536E+01 WEIGHT= 1.593040D+00 (SC-p) +EES= -1.058170E+02 WEIGHT= 7.153400D-01 (p-p) +EVDWPP= -1.801336E+01 WEIGHT= 1.137100D-01 (p-p VDW) +ESTR= 0.000000E+00 WEIGHT= 1.000000D+00 (stretching) +EBE= -4.072209E+01 WEIGHT= 1.138730D+00 (bending) +ESC= 4.100335E+01 WEIGHT= 1.625800D-01 (SC local) +ETORS= 1.109474E+01 WEIGHT= 1.985990D+00 (torsional) +ETORSD= -6.266648E-01 WEIGHT= 1.570690D+00 (double torsional) +EHBP= 0.000000E+00 WEIGHT= 1.000000D+00 (SS bridges & dist. cnstr.) +ECORR4= -7.995701E+01 WEIGHT= 4.288700D-01 (multi-body) +ECORR5= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body) +ECORR6= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body) +EELLO= -6.493518E+00 WEIGHT= 1.603600D-01 (electrostatic-local) +ETURN3= 1.980891E+01 WEIGHT= 1.687220D+00 (turns, 3rd order) +ETURN4= -9.313998E-01 WEIGHT= 6.623000D-01 (turns, 4th order) +ETURN6= 0.000000E+00 WEIGHT= 0.000000D+00 (turns, 6th order) +ESCCOR= 0.000000E+00 WEIGHT= 0.000000D+00 (backbone-rotamer corr) +EDIHC= 0.000000E+00 (dihedral angle constraints) +ESS= 0.000000E+00 (disulfide-bridge intrinsic energy) +UCONST= 0.000000E+00 (Constraint energy) +EDFAD= 2.377498-315 (DFA distance energy) +EDFAT= 6.953299-310 (DFA torsion energy) +EDFAN= 1.976263-323 (DFA NCa energy) +EDFAB= 8.487983-314 (DFA Beta energy) +ETOT= -8.760333E+01 (total) +RMS deviation from the reference structure: 2.398 + % of native contacts: 66.667 + % of nonnative contacts: 61.905 + contact order: 0.281 + TM-score with the reference structure: 0.33 +Conformation # 184 + +Virtual-chain energies: + +EVDW= -5.318955E+01 WEIGHT= 1.352790D+00 (SC-SC) +EVDW2= 4.969908E+01 WEIGHT= 1.593040D+00 (SC-p) +EES= -1.045343E+02 WEIGHT= 7.153400D-01 (p-p) +EVDWPP= -1.798249E+01 WEIGHT= 1.137100D-01 (p-p VDW) +ESTR= 0.000000E+00 WEIGHT= 1.000000D+00 (stretching) +EBE= -4.003468E+01 WEIGHT= 1.138730D+00 (bending) +ESC= 3.676989E+01 WEIGHT= 1.625800D-01 (SC local) +ETORS= 1.251207E+01 WEIGHT= 1.985990D+00 (torsional) +ETORSD= -2.680267E+00 WEIGHT= 1.570690D+00 (double torsional) +EHBP= 0.000000E+00 WEIGHT= 1.000000D+00 (SS bridges & dist. cnstr.) +ECORR4= -7.570199E+01 WEIGHT= 4.288700D-01 (multi-body) +ECORR5= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body) +ECORR6= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body) +EELLO= 7.288076E-01 WEIGHT= 1.603600D-01 (electrostatic-local) +ETURN3= 1.891175E+01 WEIGHT= 1.687220D+00 (turns, 3rd order) +ETURN4= -1.776835E+00 WEIGHT= 6.623000D-01 (turns, 4th order) +ETURN6= 0.000000E+00 WEIGHT= 0.000000D+00 (turns, 6th order) +ESCCOR= 0.000000E+00 WEIGHT= 0.000000D+00 (backbone-rotamer corr) +EDIHC= 0.000000E+00 (dihedral angle constraints) +ESS= 0.000000E+00 (disulfide-bridge intrinsic energy) +UCONST= 0.000000E+00 (Constraint energy) +EDFAD= 2.377498-315 (DFA distance energy) +EDFAT= 6.953299-310 (DFA torsion energy) +EDFAN= 1.976263-323 (DFA NCa energy) +EDFAB= 8.487983-314 (DFA Beta energy) +ETOT= -9.019365E+01 (total) +RMS deviation from the reference structure: 3.728 + % of native contacts: 33.333 + % of nonnative contacts: 81.818 + contact order: 0.374 + TM-score with the reference structure: 0.28 +Conformation # 185 + +Virtual-chain energies: + +EVDW= -5.122106E+01 WEIGHT= 1.352790D+00 (SC-SC) +EVDW2= 4.786912E+01 WEIGHT= 1.593040D+00 (SC-p) +EES= -1.002588E+02 WEIGHT= 7.153400D-01 (p-p) +EVDWPP= -2.521081E+01 WEIGHT= 1.137100D-01 (p-p VDW) +ESTR= 0.000000E+00 WEIGHT= 1.000000D+00 (stretching) +EBE= -4.291917E+01 WEIGHT= 1.138730D+00 (bending) +ESC= 3.728613E+01 WEIGHT= 1.625800D-01 (SC local) +ETORS= 1.028393E+01 WEIGHT= 1.985990D+00 (torsional) +ETORSD= 3.914362E+00 WEIGHT= 1.570690D+00 (double torsional) +EHBP= 0.000000E+00 WEIGHT= 1.000000D+00 (SS bridges & dist. cnstr.) +ECORR4= -6.994705E+01 WEIGHT= 4.288700D-01 (multi-body) +ECORR5= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body) +ECORR6= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body) +EELLO= -4.417315E+00 WEIGHT= 1.603600D-01 (electrostatic-local) +ETURN3= 1.652343E+01 WEIGHT= 1.687220D+00 (turns, 3rd order) +ETURN4= -5.623878E-01 WEIGHT= 6.623000D-01 (turns, 4th order) +ETURN6= 0.000000E+00 WEIGHT= 0.000000D+00 (turns, 6th order) +ESCCOR= 0.000000E+00 WEIGHT= 0.000000D+00 (backbone-rotamer corr) +EDIHC= 0.000000E+00 (dihedral angle constraints) +ESS= 0.000000E+00 (disulfide-bridge intrinsic energy) +UCONST= 0.000000E+00 (Constraint energy) +EDFAD= 2.377498-315 (DFA distance energy) +EDFAT= 6.953299-310 (DFA torsion energy) +EDFAN= 1.976263-323 (DFA NCa energy) +EDFAB= 8.487983-314 (DFA Beta energy) +ETOT= -8.705950E+01 (total) +RMS deviation from the reference structure: 3.761 + % of native contacts: 41.667 + % of nonnative contacts: 75.000 + contact order: 0.307 + TM-score with the reference structure: 0.28 +Conformation # 186 + +Virtual-chain energies: + +EVDW= -5.528012E+01 WEIGHT= 1.352790D+00 (SC-SC) +EVDW2= 4.375489E+01 WEIGHT= 1.593040D+00 (SC-p) +EES= -7.806498E+01 WEIGHT= 7.153400D-01 (p-p) +EVDWPP= -3.103907E+01 WEIGHT= 1.137100D-01 (p-p VDW) +ESTR= 0.000000E+00 WEIGHT= 1.000000D+00 (stretching) +EBE= -3.586159E+01 WEIGHT= 1.138730D+00 (bending) +ESC= 4.123198E+01 WEIGHT= 1.625800D-01 (SC local) +ETORS= 9.267755E+00 WEIGHT= 1.985990D+00 (torsional) +ETORSD= -2.792587E+00 WEIGHT= 1.570690D+00 (double torsional) +EHBP= 0.000000E+00 WEIGHT= 1.000000D+00 (SS bridges & dist. cnstr.) +ECORR4= -5.844226E+01 WEIGHT= 4.288700D-01 (multi-body) +ECORR5= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body) +ECORR6= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body) +EELLO= 2.795387E-01 WEIGHT= 1.603600D-01 (electrostatic-local) +ETURN3= 1.485417E+01 WEIGHT= 1.687220D+00 (turns, 3rd order) +ETURN4= 6.474531E-01 WEIGHT= 6.623000D-01 (turns, 4th order) +ETURN6= 0.000000E+00 WEIGHT= 0.000000D+00 (turns, 6th order) +ESCCOR= 0.000000E+00 WEIGHT= 0.000000D+00 (backbone-rotamer corr) +EDIHC= 0.000000E+00 (dihedral angle constraints) +ESS= 0.000000E+00 (disulfide-bridge intrinsic energy) +UCONST= 0.000000E+00 (Constraint energy) +EDFAD= 2.377498-315 (DFA distance energy) +EDFAT= 6.953299-310 (DFA torsion energy) +EDFAN= 1.976263-323 (DFA NCa energy) +EDFAB= 8.487983-314 (DFA Beta energy) +ETOT= -8.409360E+01 (total) +RMS deviation from the reference structure: 5.093 + % of native contacts: 25.000 + % of nonnative contacts: 86.364 + contact order: 0.357 + TM-score with the reference structure: 0.28 +Conformation # 187 + +Virtual-chain energies: + +EVDW= -5.088958E+01 WEIGHT= 1.352790D+00 (SC-SC) +EVDW2= 4.623924E+01 WEIGHT= 1.593040D+00 (SC-p) +EES= -9.556489E+01 WEIGHT= 7.153400D-01 (p-p) +EVDWPP= -2.950097E+01 WEIGHT= 1.137100D-01 (p-p VDW) +ESTR= 0.000000E+00 WEIGHT= 1.000000D+00 (stretching) +EBE= -3.688658E+01 WEIGHT= 1.138730D+00 (bending) +ESC= 4.133109E+01 WEIGHT= 1.625800D-01 (SC local) +ETORS= 8.927255E+00 WEIGHT= 1.985990D+00 (torsional) +ETORSD= 2.342472E+00 WEIGHT= 1.570690D+00 (double torsional) +EHBP= 0.000000E+00 WEIGHT= 1.000000D+00 (SS bridges & dist. cnstr.) +ECORR4= -7.150829E+01 WEIGHT= 4.288700D-01 (multi-body) +ECORR5= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body) +ECORR6= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body) +EELLO= -5.357881E+00 WEIGHT= 1.603600D-01 (electrostatic-local) +ETURN3= 1.835917E+01 WEIGHT= 1.687220D+00 (turns, 3rd order) +ETURN4= -5.440459E+00 WEIGHT= 6.623000D-01 (turns, 4th order) +ETURN6= 0.000000E+00 WEIGHT= 0.000000D+00 (turns, 6th order) +ESCCOR= 0.000000E+00 WEIGHT= 0.000000D+00 (backbone-rotamer corr) +EDIHC= 0.000000E+00 (dihedral angle constraints) +ESS= 0.000000E+00 (disulfide-bridge intrinsic energy) +UCONST= 0.000000E+00 (Constraint energy) +EDFAD= 2.377498-315 (DFA distance energy) +EDFAT= 6.953299-310 (DFA torsion energy) +EDFAN= 1.976263-323 (DFA NCa energy) +EDFAB= 8.487983-314 (DFA Beta energy) +ETOT= -8.492761E+01 (total) +RMS deviation from the reference structure: 2.238 + % of native contacts: 41.667 + % of nonnative contacts: 75.000 + contact order: 0.336 + TM-score with the reference structure: 0.37 +Conformation # 188 + +Virtual-chain energies: + +EVDW= -5.396319E+01 WEIGHT= 1.352790D+00 (SC-SC) +EVDW2= 3.559281E+01 WEIGHT= 1.593040D+00 (SC-p) +EES= -6.291020E+01 WEIGHT= 7.153400D-01 (p-p) +EVDWPP= -2.749080E+01 WEIGHT= 1.137100D-01 (p-p VDW) +ESTR= 0.000000E+00 WEIGHT= 1.000000D+00 (stretching) +EBE= -3.846173E+01 WEIGHT= 1.138730D+00 (bending) +ESC= 4.909050E+01 WEIGHT= 1.625800D-01 (SC local) +ETORS= 6.041038E+00 WEIGHT= 1.985990D+00 (torsional) +ETORSD= 6.820865E-01 WEIGHT= 1.570690D+00 (double torsional) +EHBP= 0.000000E+00 WEIGHT= 1.000000D+00 (SS bridges & dist. cnstr.) +ECORR4= -4.213271E+01 WEIGHT= 4.288700D-01 (multi-body) +ECORR5= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body) +ECORR6= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body) +EELLO= -3.741048E-01 WEIGHT= 1.603600D-01 (electrostatic-local) +ETURN3= 1.339565E+01 WEIGHT= 1.687220D+00 (turns, 3rd order) +ETURN4= -2.117899E+00 WEIGHT= 6.623000D-01 (turns, 4th order) +ETURN6= 0.000000E+00 WEIGHT= 0.000000D+00 (turns, 6th order) +ESCCOR= 0.000000E+00 WEIGHT= 0.000000D+00 (backbone-rotamer corr) +EDIHC= 0.000000E+00 (dihedral angle constraints) +ESS= 0.000000E+00 (disulfide-bridge intrinsic energy) +UCONST= 0.000000E+00 (Constraint energy) +EDFAD= 2.377498-315 (DFA distance energy) +EDFAT= 6.953299-310 (DFA torsion energy) +EDFAN= 1.976263-323 (DFA NCa energy) +EDFAB= 8.487983-314 (DFA Beta energy) +ETOT= -8.410660E+01 (total) +RMS deviation from the reference structure: 5.616 + % of native contacts: 16.667 + % of nonnative contacts: 87.500 + contact order: 0.355 + TM-score with the reference structure: 0.24 +Conformation # 189 + +Virtual-chain energies: + +EVDW= -5.263057E+01 WEIGHT= 1.352790D+00 (SC-SC) +EVDW2= 5.408080E+01 WEIGHT= 1.593040D+00 (SC-p) +EES= -1.113442E+02 WEIGHT= 7.153400D-01 (p-p) +EVDWPP= -2.324953E+01 WEIGHT= 1.137100D-01 (p-p VDW) +ESTR= 0.000000E+00 WEIGHT= 1.000000D+00 (stretching) +EBE= -4.095652E+01 WEIGHT= 1.138730D+00 (bending) +ESC= 4.467366E+01 WEIGHT= 1.625800D-01 (SC local) +ETORS= 1.263671E+01 WEIGHT= 1.985990D+00 (torsional) +ETORSD= -1.837499E+00 WEIGHT= 1.570690D+00 (double torsional) +EHBP= 0.000000E+00 WEIGHT= 1.000000D+00 (SS bridges & dist. cnstr.) +ECORR4= -8.539627E+01 WEIGHT= 4.288700D-01 (multi-body) +ECORR5= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body) +ECORR6= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body) +EELLO= -2.807481E+00 WEIGHT= 1.603600D-01 (electrostatic-local) +ETURN3= 2.011410E+01 WEIGHT= 1.687220D+00 (turns, 3rd order) +ETURN4= -5.825006E-01 WEIGHT= 6.623000D-01 (turns, 4th order) +ETURN6= 0.000000E+00 WEIGHT= 0.000000D+00 (turns, 6th order) +ESCCOR= 0.000000E+00 WEIGHT= 0.000000D+00 (backbone-rotamer corr) +EDIHC= 0.000000E+00 (dihedral angle constraints) +ESS= 0.000000E+00 (disulfide-bridge intrinsic energy) +UCONST= 0.000000E+00 (Constraint energy) +EDFAD= 2.377498-315 (DFA distance energy) +EDFAT= 6.953299-310 (DFA torsion energy) +EDFAN= 1.976263-323 (DFA NCa energy) +EDFAB= 8.487983-314 (DFA Beta energy) +ETOT= -8.802600E+01 (total) +RMS deviation from the reference structure: 2.436 + % of native contacts: 58.333 + % of nonnative contacts: 61.111 + contact order: 0.308 + TM-score with the reference structure: 0.29 +Conformation # 190 + +Virtual-chain energies: + +EVDW= -5.038688E+01 WEIGHT= 1.352790D+00 (SC-SC) +EVDW2= 4.850968E+01 WEIGHT= 1.593040D+00 (SC-p) +EES= -1.024886E+02 WEIGHT= 7.153400D-01 (p-p) +EVDWPP= -1.443982E+01 WEIGHT= 1.137100D-01 (p-p VDW) +ESTR= 0.000000E+00 WEIGHT= 1.000000D+00 (stretching) +EBE= -3.961789E+01 WEIGHT= 1.138730D+00 (bending) +ESC= 4.782770E+01 WEIGHT= 1.625800D-01 (SC local) +ETORS= 1.110483E+01 WEIGHT= 1.985990D+00 (torsional) +ETORSD= -2.778135E-01 WEIGHT= 1.570690D+00 (double torsional) +EHBP= 0.000000E+00 WEIGHT= 1.000000D+00 (SS bridges & dist. cnstr.) +ECORR4= -7.325016E+01 WEIGHT= 4.288700D-01 (multi-body) +ECORR5= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body) +ECORR6= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body) +EELLO= -2.719852E-01 WEIGHT= 1.603600D-01 (electrostatic-local) +ETURN3= 1.743726E+01 WEIGHT= 1.687220D+00 (turns, 3rd order) +ETURN4= -7.097684E-01 WEIGHT= 6.623000D-01 (turns, 4th order) +ETURN6= 0.000000E+00 WEIGHT= 0.000000D+00 (turns, 6th order) +ESCCOR= 0.000000E+00 WEIGHT= 0.000000D+00 (backbone-rotamer corr) +EDIHC= 0.000000E+00 (dihedral angle constraints) +ESS= 0.000000E+00 (disulfide-bridge intrinsic energy) +UCONST= 0.000000E+00 (Constraint energy) +EDFAD= 2.377498-315 (DFA distance energy) +EDFAT= 6.953299-310 (DFA torsion energy) +EDFAN= 1.976263-323 (DFA NCa energy) +EDFAB= 8.487983-314 (DFA Beta energy) +ETOT= -8.406973E+01 (total) +RMS deviation from the reference structure: 2.163 + % of native contacts: 50.000 + % of nonnative contacts: 66.667 + contact order: 0.323 + TM-score with the reference structure: 0.31 +Conformation # 191 + +Virtual-chain energies: + +EVDW= -5.073873E+01 WEIGHT= 1.352790D+00 (SC-SC) +EVDW2= 4.056596E+01 WEIGHT= 1.593040D+00 (SC-p) +EES= -8.352338E+01 WEIGHT= 7.153400D-01 (p-p) +EVDWPP= -1.919020E+01 WEIGHT= 1.137100D-01 (p-p VDW) +ESTR= 0.000000E+00 WEIGHT= 1.000000D+00 (stretching) +EBE= -3.957063E+01 WEIGHT= 1.138730D+00 (bending) +ESC= 4.761694E+01 WEIGHT= 1.625800D-01 (SC local) +ETORS= 1.000854E+01 WEIGHT= 1.985990D+00 (torsional) +ETORSD= -1.546639E+00 WEIGHT= 1.570690D+00 (double torsional) +EHBP= 0.000000E+00 WEIGHT= 1.000000D+00 (SS bridges & dist. cnstr.) +ECORR4= -6.250777E+01 WEIGHT= 4.288700D-01 (multi-body) +ECORR5= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body) +ECORR6= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body) +EELLO= 2.737274E+00 WEIGHT= 1.603600D-01 (electrostatic-local) +ETURN3= 1.727534E+01 WEIGHT= 1.687220D+00 (turns, 3rd order) +ETURN4= -2.546895E+00 WEIGHT= 6.623000D-01 (turns, 4th order) +ETURN6= 0.000000E+00 WEIGHT= 0.000000D+00 (turns, 6th order) +ESCCOR= 0.000000E+00 WEIGHT= 0.000000D+00 (backbone-rotamer corr) +EDIHC= 0.000000E+00 (dihedral angle constraints) +ESS= 0.000000E+00 (disulfide-bridge intrinsic energy) +UCONST= 0.000000E+00 (Constraint energy) +EDFAD= 2.377498-315 (DFA distance energy) +EDFAT= 6.953299-310 (DFA torsion energy) +EDFAN= 1.976263-323 (DFA NCa energy) +EDFAB= 8.487983-314 (DFA Beta energy) +ETOT= -8.472478E+01 (total) +RMS deviation from the reference structure: 5.554 + % of native contacts: 25.000 + % of nonnative contacts: 85.000 + contact order: 0.316 + TM-score with the reference structure: 0.31 +Conformation # 192 + +Virtual-chain energies: + +EVDW= -5.120453E+01 WEIGHT= 1.352790D+00 (SC-SC) +EVDW2= 4.128919E+01 WEIGHT= 1.593040D+00 (SC-p) +EES= -8.326868E+01 WEIGHT= 7.153400D-01 (p-p) +EVDWPP= -1.767219E+01 WEIGHT= 1.137100D-01 (p-p VDW) +ESTR= 0.000000E+00 WEIGHT= 1.000000D+00 (stretching) +EBE= -4.027511E+01 WEIGHT= 1.138730D+00 (bending) +ESC= 4.642033E+01 WEIGHT= 1.625800D-01 (SC local) +ETORS= 9.392970E+00 WEIGHT= 1.985990D+00 (torsional) +ETORSD= -1.988929E+00 WEIGHT= 1.570690D+00 (double torsional) +EHBP= 0.000000E+00 WEIGHT= 1.000000D+00 (SS bridges & dist. cnstr.) +ECORR4= -6.319094E+01 WEIGHT= 4.288700D-01 (multi-body) +ECORR5= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body) +ECORR6= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body) +EELLO= -9.628277E-01 WEIGHT= 1.603600D-01 (electrostatic-local) +ETURN3= 1.739036E+01 WEIGHT= 1.687220D+00 (turns, 3rd order) +ETURN4= -1.959789E+00 WEIGHT= 6.623000D-01 (turns, 4th order) +ETURN6= 0.000000E+00 WEIGHT= 0.000000D+00 (turns, 6th order) +ESCCOR= 0.000000E+00 WEIGHT= 0.000000D+00 (backbone-rotamer corr) +EDIHC= 0.000000E+00 (dihedral angle constraints) +ESS= 0.000000E+00 (disulfide-bridge intrinsic energy) +UCONST= 0.000000E+00 (Constraint energy) +EDFAD= 2.377498-315 (DFA distance energy) +EDFAT= 6.953299-310 (DFA torsion energy) +EDFAN= 1.976263-323 (DFA NCa energy) +EDFAB= 8.487983-314 (DFA Beta energy) +ETOT= -8.706537E+01 (total) +RMS deviation from the reference structure: 5.028 + % of native contacts: 50.000 + % of nonnative contacts: 70.000 + contact order: 0.282 + TM-score with the reference structure: 0.33 +Conformation # 193 + +Virtual-chain energies: + +EVDW= -5.549348E+01 WEIGHT= 1.352790D+00 (SC-SC) +EVDW2= 4.532223E+01 WEIGHT= 1.593040D+00 (SC-p) +EES= -8.233263E+01 WEIGHT= 7.153400D-01 (p-p) +EVDWPP= -3.144795E+01 WEIGHT= 1.137100D-01 (p-p VDW) +ESTR= 0.000000E+00 WEIGHT= 1.000000D+00 (stretching) +EBE= -3.501134E+01 WEIGHT= 1.138730D+00 (bending) +ESC= 4.260463E+01 WEIGHT= 1.625800D-01 (SC local) +ETORS= 5.996062E+00 WEIGHT= 1.985990D+00 (torsional) +ETORSD= 1.862331E-01 WEIGHT= 1.570690D+00 (double torsional) +EHBP= 0.000000E+00 WEIGHT= 1.000000D+00 (SS bridges & dist. cnstr.) +ECORR4= -6.112939E+01 WEIGHT= 4.288700D-01 (multi-body) +ECORR5= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body) +ECORR6= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body) +EELLO= -2.678980E+00 WEIGHT= 1.603600D-01 (electrostatic-local) +ETURN3= 1.476248E+01 WEIGHT= 1.687220D+00 (turns, 3rd order) +ETURN4= -1.490907E-01 WEIGHT= 6.623000D-01 (turns, 4th order) +ETURN6= 0.000000E+00 WEIGHT= 0.000000D+00 (turns, 6th order) +ESCCOR= 0.000000E+00 WEIGHT= 0.000000D+00 (backbone-rotamer corr) +EDIHC= 0.000000E+00 (dihedral angle constraints) +ESS= 0.000000E+00 (disulfide-bridge intrinsic energy) +UCONST= 0.000000E+00 (Constraint energy) +EDFAD= 2.377498-315 (DFA distance energy) +EDFAT= 6.953299-310 (DFA torsion energy) +EDFAN= 1.976263-323 (DFA NCa energy) +EDFAB= 8.487983-314 (DFA Beta energy) +ETOT= -8.792121E+01 (total) +RMS deviation from the reference structure: 3.379 + % of native contacts: 58.333 + % of nonnative contacts: 65.000 + contact order: 0.307 + TM-score with the reference structure: 0.30 +Conformation # 194 + +Virtual-chain energies: + +EVDW= -5.151011E+01 WEIGHT= 1.352790D+00 (SC-SC) +EVDW2= 4.463203E+01 WEIGHT= 1.593040D+00 (SC-p) +EES= -9.106778E+01 WEIGHT= 7.153400D-01 (p-p) +EVDWPP= -1.006749E+01 WEIGHT= 1.137100D-01 (p-p VDW) +ESTR= 0.000000E+00 WEIGHT= 1.000000D+00 (stretching) +EBE= -3.875413E+01 WEIGHT= 1.138730D+00 (bending) +ESC= 3.400161E+01 WEIGHT= 1.625800D-01 (SC local) +ETORS= 1.056548E+01 WEIGHT= 1.985990D+00 (torsional) +ETORSD= -1.360474E+00 WEIGHT= 1.570690D+00 (double torsional) +EHBP= 0.000000E+00 WEIGHT= 1.000000D+00 (SS bridges & dist. cnstr.) +ECORR4= -6.774041E+01 WEIGHT= 4.288700D-01 (multi-body) +ECORR5= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body) +ECORR6= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body) +EELLO= 4.233186E-01 WEIGHT= 1.603600D-01 (electrostatic-local) +ETURN3= 1.831071E+01 WEIGHT= 1.687220D+00 (turns, 3rd order) +ETURN4= -2.527068E+00 WEIGHT= 6.623000D-01 (turns, 4th order) +ETURN6= 0.000000E+00 WEIGHT= 0.000000D+00 (turns, 6th order) +ESCCOR= 0.000000E+00 WEIGHT= 0.000000D+00 (backbone-rotamer corr) +EDIHC= 0.000000E+00 (dihedral angle constraints) +ESS= 0.000000E+00 (disulfide-bridge intrinsic energy) +UCONST= 0.000000E+00 (Constraint energy) +EDFAD= 2.377498-315 (DFA distance energy) +EDFAT= 6.953299-310 (DFA torsion energy) +EDFAN= 1.976263-323 (DFA NCa energy) +EDFAB= 8.487983-314 (DFA Beta energy) +ETOT= -8.439082E+01 (total) +RMS deviation from the reference structure: 4.765 + % of native contacts: 25.000 + % of nonnative contacts: 84.211 + contact order: 0.378 + TM-score with the reference structure: 0.26 +Conformation # 195 + +Virtual-chain energies: + +EVDW= -5.188871E+01 WEIGHT= 1.352790D+00 (SC-SC) +EVDW2= 3.830631E+01 WEIGHT= 1.593040D+00 (SC-p) +EES= -6.851210E+01 WEIGHT= 7.153400D-01 (p-p) +EVDWPP= -3.174158E+01 WEIGHT= 1.137100D-01 (p-p VDW) +ESTR= 0.000000E+00 WEIGHT= 1.000000D+00 (stretching) +EBE= -3.934666E+01 WEIGHT= 1.138730D+00 (bending) +ESC= 3.572018E+01 WEIGHT= 1.625800D-01 (SC local) +ETORS= 8.744851E+00 WEIGHT= 1.985990D+00 (torsional) +ETORSD= -2.421168E+00 WEIGHT= 1.570690D+00 (double torsional) +EHBP= 0.000000E+00 WEIGHT= 1.000000D+00 (SS bridges & dist. cnstr.) +ECORR4= -5.113139E+01 WEIGHT= 4.288700D-01 (multi-body) +ECORR5= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body) +ECORR6= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body) +EELLO= 4.057495E-02 WEIGHT= 1.603600D-01 (electrostatic-local) +ETURN3= 1.391153E+01 WEIGHT= 1.687220D+00 (turns, 3rd order) +ETURN4= -1.065036E+00 WEIGHT= 6.623000D-01 (turns, 4th order) +ETURN6= 0.000000E+00 WEIGHT= 0.000000D+00 (turns, 6th order) +ESCCOR= 0.000000E+00 WEIGHT= 0.000000D+00 (backbone-rotamer corr) +EDIHC= 0.000000E+00 (dihedral angle constraints) +ESS= 0.000000E+00 (disulfide-bridge intrinsic energy) +UCONST= 0.000000E+00 (Constraint energy) +EDFAD= 2.377498-315 (DFA distance energy) +EDFAT= 6.953299-310 (DFA torsion energy) +EDFAN= 1.976263-323 (DFA NCa energy) +EDFAB= 8.487983-314 (DFA Beta energy) +ETOT= -8.637917E+01 (total) +RMS deviation from the reference structure: 4.817 + % of native contacts: 16.667 + % of nonnative contacts: 90.476 + contact order: 0.407 + TM-score with the reference structure: 0.32 +Conformation # 196 + +Virtual-chain energies: + +EVDW= -5.689562E+01 WEIGHT= 1.352790D+00 (SC-SC) +EVDW2= 3.953417E+01 WEIGHT= 1.593040D+00 (SC-p) +EES= -6.575149E+01 WEIGHT= 7.153400D-01 (p-p) +EVDWPP= -3.242620E+01 WEIGHT= 1.137100D-01 (p-p VDW) +ESTR= 0.000000E+00 WEIGHT= 1.000000D+00 (stretching) +EBE= -3.655341E+01 WEIGHT= 1.138730D+00 (bending) +ESC= 4.668342E+01 WEIGHT= 1.625800D-01 (SC local) +ETORS= 5.437181E+00 WEIGHT= 1.985990D+00 (torsional) +ETORSD= 1.050091E-02 WEIGHT= 1.570690D+00 (double torsional) +EHBP= 0.000000E+00 WEIGHT= 1.000000D+00 (SS bridges & dist. cnstr.) +ECORR4= -5.033938E+01 WEIGHT= 4.288700D-01 (multi-body) +ECORR5= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body) +ECORR6= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body) +EELLO= 6.645582E-01 WEIGHT= 1.603600D-01 (electrostatic-local) +ETURN3= 1.246771E+01 WEIGHT= 1.687220D+00 (turns, 3rd order) +ETURN4= -7.467353E-01 WEIGHT= 6.623000D-01 (turns, 4th order) +ETURN6= 0.000000E+00 WEIGHT= 0.000000D+00 (turns, 6th order) +ESCCOR= 0.000000E+00 WEIGHT= 0.000000D+00 (backbone-rotamer corr) +EDIHC= 0.000000E+00 (dihedral angle constraints) +ESS= 0.000000E+00 (disulfide-bridge intrinsic energy) +UCONST= 0.000000E+00 (Constraint energy) +EDFAD= 2.377498-315 (DFA distance energy) +EDFAT= 6.953299-310 (DFA torsion energy) +EDFAN= 1.976263-323 (DFA NCa energy) +EDFAB= 8.487983-314 (DFA Beta energy) +ETOT= -8.887143E+01 (total) +RMS deviation from the reference structure: 4.090 + % of native contacts: 41.667 + % of nonnative contacts: 77.273 + contact order: 0.430 + TM-score with the reference structure: 0.23 +Conformation # 197 + +Virtual-chain energies: + +EVDW= -5.270798E+01 WEIGHT= 1.352790D+00 (SC-SC) +EVDW2= 4.599898E+01 WEIGHT= 1.593040D+00 (SC-p) +EES= -9.159124E+01 WEIGHT= 7.153400D-01 (p-p) +EVDWPP= -2.269573E+01 WEIGHT= 1.137100D-01 (p-p VDW) +ESTR= 0.000000E+00 WEIGHT= 1.000000D+00 (stretching) +EBE= -4.033579E+01 WEIGHT= 1.138730D+00 (bending) +ESC= 4.337685E+01 WEIGHT= 1.625800D-01 (SC local) +ETORS= 1.002726E+01 WEIGHT= 1.985990D+00 (torsional) +ETORSD= -1.606533E+00 WEIGHT= 1.570690D+00 (double torsional) +EHBP= 0.000000E+00 WEIGHT= 1.000000D+00 (SS bridges & dist. cnstr.) +ECORR4= -6.856126E+01 WEIGHT= 4.288700D-01 (multi-body) +ECORR5= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body) +ECORR6= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body) +EELLO= -2.811716E-01 WEIGHT= 1.603600D-01 (electrostatic-local) +ETURN3= 1.817794E+01 WEIGHT= 1.687220D+00 (turns, 3rd order) +ETURN4= -1.709213E+00 WEIGHT= 6.623000D-01 (turns, 4th order) +ETURN6= 0.000000E+00 WEIGHT= 0.000000D+00 (turns, 6th order) +ESCCOR= 0.000000E+00 WEIGHT= 0.000000D+00 (backbone-rotamer corr) +EDIHC= 0.000000E+00 (dihedral angle constraints) +ESS= 0.000000E+00 (disulfide-bridge intrinsic energy) +UCONST= 0.000000E+00 (Constraint energy) +EDFAD= 2.377498-315 (DFA distance energy) +EDFAT= 6.953299-310 (DFA torsion energy) +EDFAN= 1.976263-323 (DFA NCa energy) +EDFAB= 8.487983-314 (DFA Beta energy) +ETOT= -8.752371E+01 (total) +RMS deviation from the reference structure: 4.660 + % of native contacts: 58.333 + % of nonnative contacts: 66.667 + contact order: 0.327 + TM-score with the reference structure: 0.30 +Conformation # 198 + +Virtual-chain energies: + +EVDW= -5.176116E+01 WEIGHT= 1.352790D+00 (SC-SC) +EVDW2= 3.918402E+01 WEIGHT= 1.593040D+00 (SC-p) +EES= -7.508123E+01 WEIGHT= 7.153400D-01 (p-p) +EVDWPP= -1.767170E+01 WEIGHT= 1.137100D-01 (p-p VDW) +ESTR= 0.000000E+00 WEIGHT= 1.000000D+00 (stretching) +EBE= -3.849045E+01 WEIGHT= 1.138730D+00 (bending) +ESC= 4.386108E+01 WEIGHT= 1.625800D-01 (SC local) +ETORS= 8.613556E+00 WEIGHT= 1.985990D+00 (torsional) +ETORSD= -1.102560E+00 WEIGHT= 1.570690D+00 (double torsional) +EHBP= 0.000000E+00 WEIGHT= 1.000000D+00 (SS bridges & dist. cnstr.) +ECORR4= -5.446174E+01 WEIGHT= 4.288700D-01 (multi-body) +ECORR5= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body) +ECORR6= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body) +EELLO= 2.582088E+00 WEIGHT= 1.603600D-01 (electrostatic-local) +ETURN3= 1.431340E+01 WEIGHT= 1.687220D+00 (turns, 3rd order) +ETURN4= -3.237542E+00 WEIGHT= 6.623000D-01 (turns, 4th order) +ETURN6= 0.000000E+00 WEIGHT= 0.000000D+00 (turns, 6th order) +ESCCOR= 0.000000E+00 WEIGHT= 0.000000D+00 (backbone-rotamer corr) +EDIHC= 0.000000E+00 (dihedral angle constraints) +ESS= 0.000000E+00 (disulfide-bridge intrinsic energy) +UCONST= 0.000000E+00 (Constraint energy) +EDFAD= 2.377498-315 (DFA distance energy) +EDFAT= 6.953299-310 (DFA torsion energy) +EDFAN= 1.976263-323 (DFA NCa energy) +EDFAB= 8.487983-314 (DFA Beta energy) +ETOT= -8.558028E+01 (total) +RMS deviation from the reference structure: 4.677 + % of native contacts: 25.000 + % of nonnative contacts: 82.353 + contact order: 0.447 + TM-score with the reference structure: 0.29 +Conformation # 199 + +Virtual-chain energies: + +EVDW= -5.087798E+01 WEIGHT= 1.352790D+00 (SC-SC) +EVDW2= 4.564237E+01 WEIGHT= 1.593040D+00 (SC-p) +EES= -8.564925E+01 WEIGHT= 7.153400D-01 (p-p) +EVDWPP= -2.233342E+01 WEIGHT= 1.137100D-01 (p-p VDW) +ESTR= 0.000000E+00 WEIGHT= 1.000000D+00 (stretching) +EBE= -3.877960E+01 WEIGHT= 1.138730D+00 (bending) +ESC= 3.756012E+01 WEIGHT= 1.625800D-01 (SC local) +ETORS= 8.658746E+00 WEIGHT= 1.985990D+00 (torsional) +ETORSD= -3.650755E-01 WEIGHT= 1.570690D+00 (double torsional) +EHBP= 0.000000E+00 WEIGHT= 1.000000D+00 (SS bridges & dist. cnstr.) +ECORR4= -6.431423E+01 WEIGHT= 4.288700D-01 (multi-body) +ECORR5= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body) +ECORR6= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body) +EELLO= -4.083907E+00 WEIGHT= 1.603600D-01 (electrostatic-local) +ETURN3= 1.665893E+01 WEIGHT= 1.687220D+00 (turns, 3rd order) +ETURN4= -2.809997E+00 WEIGHT= 6.623000D-01 (turns, 4th order) +ETURN6= 0.000000E+00 WEIGHT= 0.000000D+00 (turns, 6th order) +ESCCOR= 0.000000E+00 WEIGHT= 0.000000D+00 (backbone-rotamer corr) +EDIHC= 0.000000E+00 (dihedral angle constraints) +ESS= 0.000000E+00 (disulfide-bridge intrinsic energy) +UCONST= 0.000000E+00 (Constraint energy) +EDFAD= 2.377498-315 (DFA distance energy) +EDFAT= 6.953299-310 (DFA torsion energy) +EDFAN= 1.976263-323 (DFA NCa energy) +EDFAB= 8.487983-314 (DFA Beta energy) +ETOT= -8.334629E+01 (total) +RMS deviation from the reference structure: 4.681 + % of native contacts: 25.000 + % of nonnative contacts: 84.211 + contact order: 0.330 + TM-score with the reference structure: 0.29 +Conformation # 200 + +Virtual-chain energies: + +EVDW= -5.424966E+01 WEIGHT= 1.352790D+00 (SC-SC) +EVDW2= 3.739722E+01 WEIGHT= 1.593040D+00 (SC-p) +EES= -6.507967E+01 WEIGHT= 7.153400D-01 (p-p) +EVDWPP= -2.899900E+01 WEIGHT= 1.137100D-01 (p-p VDW) +ESTR= 0.000000E+00 WEIGHT= 1.000000D+00 (stretching) +EBE= -3.664801E+01 WEIGHT= 1.138730D+00 (bending) +ESC= 3.556748E+01 WEIGHT= 1.625800D-01 (SC local) +ETORS= 5.566836E+00 WEIGHT= 1.985990D+00 (torsional) +ETORSD= -9.866384E-01 WEIGHT= 1.570690D+00 (double torsional) +EHBP= 0.000000E+00 WEIGHT= 1.000000D+00 (SS bridges & dist. cnstr.) +ECORR4= -4.817312E+01 WEIGHT= 4.288700D-01 (multi-body) +ECORR5= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body) +ECORR6= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body) +EELLO= -2.342359E+00 WEIGHT= 1.603600D-01 (electrostatic-local) +ETURN3= 1.437203E+01 WEIGHT= 1.687220D+00 (turns, 3rd order) +ETURN4= -1.758926E+00 WEIGHT= 6.623000D-01 (turns, 4th order) +ETURN6= 0.000000E+00 WEIGHT= 0.000000D+00 (turns, 6th order) +ESCCOR= 0.000000E+00 WEIGHT= 0.000000D+00 (backbone-rotamer corr) +EDIHC= 0.000000E+00 (dihedral angle constraints) +ESS= 0.000000E+00 (disulfide-bridge intrinsic energy) +UCONST= 0.000000E+00 (Constraint energy) +EDFAD= 2.377498-315 (DFA distance energy) +EDFAT= 6.953299-310 (DFA torsion energy) +EDFAN= 1.976263-323 (DFA NCa energy) +EDFAB= 8.487983-314 (DFA Beta energy) +ETOT= -8.806015E+01 (total) +RMS deviation from the reference structure: 4.376 + % of native contacts: 41.667 + % of nonnative contacts: 78.261 + contact order: 0.387 + TM-score with the reference structure: 0.28 +CG processor 0 is finishing work. + Total wall clock time 1.41796875000000 sec diff --git a/examples/unres/CSA/GAB/CSA/global/unrestrained/ene/1l2y_remini_GB000.int b/examples/unres/CSA/GAB/CSA/global/unrestrained/ene/1l2y_remini_GB000.int new file mode 100644 index 0000000..baaf5b5 --- /dev/null +++ b/examples/unres/CSA/GAB/CSA/global/unrestrained/ene/1l2y_remini_GB000.int @@ -0,0 +1,2600 @@ + 1 -88.115 0 + 93.9902 91.4469 89.2500 89.4542 89.3747 89.3217 89.2616 88.6456 + 91.0124 95.5919 130.9364 93.9890 94.6583 134.6164 116.7496 131.4564 + 118.9415 119.2810 93.1354 93.2990 + 118.5841 79.4877 52.1005 42.8230 48.1776 58.8031 58.4604 47.4555 + 170.9677 99.7450 -52.6701 81.4239 -58.1706 -159.4000 174.1533 -83.1545 + -109.4913 -138.8610 79.7320 + 140.3256 147.3992 115.9863 166.9710 133.5272 120.5733 142.1945 116.8232 + 137.5783 0.0000 0.0000 132.4104 118.7722 126.3170 0.0000 111.8467 + 115.3030 109.9074 104.3783 111.2368 + -7.3067 -18.8675 -64.2119 -160.5779 -105.2872 29.2218 -136.2515 -126.3564 + -112.6687 0.0000 0.0000 -155.6389 -76.3490 -80.3374 0.0000 -127.2761 + -120.6055 -109.1555 -114.5041 -78.0648 + 2 -86.727 0 + 93.8264 93.1351 123.7227 91.1937 90.3069 90.8640 90.0038 89.8922 + 91.5887 108.5996 116.3948 92.3393 93.1117 93.1701 94.3960 131.6429 + 116.8786 119.9894 93.9416 93.4577 + 104.7923 126.1345 -90.0725 54.6430 38.8389 63.9795 49.2088 79.2056 + 0.0039 -88.9865 -53.3900 74.4121 143.2272 -74.2856 52.9753 -78.6497 + -106.3593 -152.7561 32.8427 + 146.9881 140.5269 90.1725 146.3382 122.3463 119.1788 144.4238 83.9586 + 137.7095 0.0000 0.0000 100.2833 113.0185 124.7544 0.0000 128.0725 + 116.2917 116.9049 92.4935 114.0899 + -19.1440 -27.5669 -93.6838 -117.5784 -96.9295 -19.5080 -56.5507 -79.0552 + -123.7003 0.0000 0.0000 -95.9777 -76.9870 -139.5958 0.0000 -125.8518 + -123.1940 -117.9103 -98.6180 -82.9282 + 3 -90.850 0 + 93.8566 91.4471 91.8640 91.0516 90.0027 90.9670 90.4631 91.6108 + 90.4191 103.3142 98.7607 92.8574 94.3890 122.7358 94.7233 130.8755 + 118.9745 118.4178 117.2106 121.7675 + 122.3121 83.3590 44.2123 43.8889 42.8578 52.5801 46.0724 74.4374 + -65.2135 -66.2906 -31.8696 104.2174 102.5413 -95.1843 81.0642 -69.0618 + -107.7636 -139.2666 -118.1660 + 148.5454 127.9291 92.8502 147.6677 119.5420 164.3717 131.7168 108.0904 + 129.8115 0.0000 0.0000 139.9241 113.4868 119.9023 0.0000 129.4181 + 109.6070 110.4780 127.2295 121.4859 + -9.4499 -32.5550 -82.7440 -99.6459 -113.3781 10.8036 -166.4751 -102.9934 + -137.8575 0.0000 0.0000 -168.5492 -77.1384 -77.6098 0.0000 -94.9719 + -113.8581 -111.5267 -136.6577 -80.8672 + 4 -86.504 0 + 118.4277 122.3821 92.4604 90.5779 90.2299 91.4117 90.8951 92.3404 + 92.5546 122.0425 130.4833 105.7084 91.8076 92.7746 123.8560 116.9756 + 115.7741 119.0863 92.9954 93.4095 + -106.7945 170.3854 75.5364 43.5388 48.4279 48.7319 39.5262 59.5160 + -77.6810 -63.5364 -38.7582 -30.4840 100.1604 10.8206 -11.3805 -74.5173 + -108.1280 -140.9410 71.1896 + 152.1136 157.1172 141.7041 150.2172 117.7429 133.0099 137.8363 130.9514 + 131.8837 0.0000 0.0000 91.5538 114.5515 105.6542 0.0000 91.4222 + 118.1828 131.5571 98.8567 126.0498 + -14.4691 -10.5106 88.1212 -94.6043 -67.2705 41.8301 -125.9425 -132.1059 + -129.2152 0.0000 0.0000 -80.7196 -75.9275 -79.9810 0.0000 -59.1095 + -121.7483 -140.7050 -98.0707 -130.9203 + 5 -85.901 0 + 93.9315 91.7145 91.8900 91.6278 90.9218 92.0555 90.9581 91.1594 + 94.1106 93.6231 140.3889 94.0784 128.8612 128.8360 95.3715 129.7435 + 118.6082 120.7002 93.5823 93.3141 + 110.4392 77.7803 44.7669 38.4086 44.7896 45.9761 76.6563 18.9036 + -112.7084 149.3736 -36.6258 87.0584 -114.2368 -83.4593 166.5451 -83.4728 + -109.6409 -137.1206 73.6617 + 142.8043 134.2269 99.8788 147.9882 116.4289 132.4891 135.7852 136.0228 + 107.1017 0.0000 0.0000 88.0093 125.1720 122.0562 0.0000 130.1012 + 119.0010 108.4031 124.9929 111.2705 + -9.2863 -21.4114 -71.4233 -107.9855 -110.3641 100.9792 -121.3841 -122.2573 + -79.2321 0.0000 0.0000 -85.4057 -82.8742 -80.2245 0.0000 -124.9264 + -126.3971 -106.0690 -145.4114 -79.0056 + 6 -84.126 0 + 93.7244 92.8281 130.2870 92.2575 91.3336 92.3703 90.9714 91.9781 + 92.6568 135.8259 92.5210 89.5078 88.4531 91.1366 94.4007 112.3055 + 118.3764 120.0288 93.1052 93.3590 + 96.0903 124.3863 -94.0371 53.6601 38.2155 50.1644 43.8119 68.7439 + -117.3096 -69.5335 49.3731 49.3707 59.4962 37.7704 70.3685 -58.7966 + -106.6223 -140.6563 54.9968 + 150.8322 140.8897 91.6108 148.8532 113.9407 155.2712 139.9497 140.0939 + 139.1268 0.0000 0.0000 98.5776 108.5641 116.0705 0.0000 131.5888 + 117.8762 112.6456 93.9092 111.8000 + -27.3208 -44.1735 -98.5381 -109.6563 -82.0305 95.1292 -108.1466 -134.5285 + -133.6765 0.0000 0.0000 -100.0795 -76.4583 -76.6559 0.0000 -111.7790 + 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50.4475 37.6502 60.5615 + -75.8438 -67.6466 -32.3048 -30.7241 93.7733 2.1216 -12.3389 -73.2765 + -147.7997 -108.8041 -118.5790 + 144.3268 127.5368 123.6595 150.4953 118.4068 134.9476 141.0739 131.0042 + 129.3793 0.0000 0.0000 91.8067 129.7782 103.7276 0.0000 127.4232 + 110.2184 112.7728 116.8456 121.4958 + -3.8664 -23.9102 89.8748 -94.5845 -120.1012 32.3527 -90.9292 -133.2279 + -134.4522 0.0000 0.0000 -81.3201 141.1424 -80.0809 0.0000 -59.1603 + -110.3015 -113.2105 -120.9190 -81.0881 + 9 -83.939 0 + 93.7114 93.1391 105.9382 91.7970 90.0642 91.7516 90.6705 92.3042 + 91.9599 119.3837 130.9603 106.1754 91.4701 91.7796 119.5723 128.2120 + 116.7440 118.1349 118.3981 121.8870 + 46.0916 168.3739 170.9939 61.5183 43.1130 53.5348 37.1851 63.0113 + -72.1527 -66.5712 -41.8499 -28.9026 97.5536 5.9774 -12.1856 -77.1232 + -106.4466 -115.4383 -118.5791 + 108.9214 139.3852 116.1806 140.5869 114.8130 132.9911 144.8542 129.9815 + 130.4851 0.0000 0.0000 92.4752 130.1489 106.7177 0.0000 100.2705 + 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-75.081 -38.490 43.861 8.614 -1.103 -54.462 0.000 0.000 2.582 14.313 -3.238 0.000 0.000 0.000 0.000 0.000 -17.672 0.000 0.000 0.000 0.000 0.000 -85.580 4.677 0.250 0.824 0.447 0.289 + 199 -50.878 45.642 -85.649 -38.780 37.560 8.659 -0.365 -64.314 0.000 0.000 -4.084 16.659 -2.810 0.000 0.000 0.000 0.000 0.000 -22.333 0.000 0.000 0.000 0.000 0.000 -83.346 4.681 0.250 0.842 0.330 0.290 + 200 -54.250 37.397 -65.080 -36.648 35.567 5.567 -0.987 -48.173 0.000 0.000 -2.342 14.372 -1.759 0.000 0.000 0.000 0.000 0.000 -28.999 0.000 0.000 0.000 0.000 0.000 -88.060 4.376 0.417 0.783 0.387 0.276 diff --git a/examples/unres/CSA/GAB/CSA/global/unrestrained/ene/run b/examples/unres/CSA/GAB/CSA/global/unrestrained/ene/run new file mode 100755 index 0000000..705d716 --- /dev/null +++ b/examples/unres/CSA/GAB/CSA/global/unrestrained/ene/run @@ -0,0 +1,11 @@ +#PBS -N unres_csa_dfa +#PBS -q special +#PBS -l nodes=1:ppn=1 + +set NPROCS=`cat $PBS_NODEFILE | wc -l` + +cd $PBS_O_WORKDIR + +/users/local/mpich-1.2.7p1_intel-10.1_em64_ssh/bin/mpirun -machinefile $PBS_NODEFILE -np $NPROCS \ +-p4wd $PBS_O_WORKDIR $PBS_O_WORKDIR/unres_4P.csh + diff --git a/examples/unres/CSA/GAB/CSA/global/unrestrained/ene/unres_4P.csh b/examples/unres/CSA/GAB/CSA/global/unrestrained/ene/unres_4P.csh new file mode 100755 index 0000000..25e198b --- /dev/null +++ b/examples/unres/CSA/GAB/CSA/global/unrestrained/ene/unres_4P.csh @@ -0,0 +1,24 @@ +#!/bin/csh +setenv FGPROCS 1 +setenv POT GB +setenv PREFIX 1l2y_remini +setenv OUT1FILE NO +#----------------------------------------------------------------------------- +setenv UNRES_BIN /users/czarek/UNRES/GIT/unres/bin/unres/CSA/unres_csa_ifort_mpich-1.2.7p1.exe +#----------------------------------------------------------------------------- +setenv DD /users/czarek/UNRES/GIT/unres/PARAM +setenv BONDPAR $DD/bond.parm +setenv THETPAR $DD/thetaml.5parm +setenv ROTPAR $DD/scgauss.parm +setenv TORPAR $DD/torsion_631Gdp.parm +setenv TORDPAR $DD/torsion_double_631Gdp.parm +setenv ELEPAR $DD/electr_631Gdp.parm +setenv SIDEPAR $DD/sc_GB_opt.1gab_3S_qclass5no310-shan2-sc-16-10-8k +setenv FOURIER $DD/fourier_opt.parm.1igd_hc_iter3_3 +setenv SCCORPAR $DD/rotcorr_AM1.parm +setenv SCPPAR $DD/scp.parm +setenv PATTERN $DD/patterns.cart +setenv PRINT_PARM NO +#----------------------------------------------------------------------------- + +$UNRES_BIN $* diff --git a/examples/unres/CSA/GAB/CSA/global/unrestrained/reminimize/1l2y.pdb b/examples/unres/CSA/GAB/CSA/global/unrestrained/reminimize/1l2y.pdb new file mode 100644 index 0000000..5ab80f1 --- /dev/null +++ b/examples/unres/CSA/GAB/CSA/global/unrestrained/reminimize/1l2y.pdb @@ -0,0 +1,23623 @@ +HEADER DE NOVO PROTEIN 25-FEB-02 1L2Y +TITLE NMR STRUCTURE OF TRP-CAGE MINIPROTEIN CONSTRUCT TC5B +COMPND MOL_ID: 1; +COMPND 2 MOLECULE: TC5B; +COMPND 3 CHAIN: A; +COMPND 4 ENGINEERED: YES +SOURCE MOL_ID: 1; +SOURCE 2 SYNTHETIC: YES; +SOURCE 3 OTHER_DETAILS: THE PROTEIN WAS SYNTHESIZED USING STANDARD +SOURCE 4 FMOC SOLID-PHASE SYNTHESIS METHODS ON AN APPLIED +SOURCE 5 BIOSYSTEMS 433A PEPTIDE SYNTHESIZER. +KEYWDS MINIPROTEIN, TWO-STATE FOLDING, TRP-CAGE, DE NOVO PROTEIN +EXPDTA SOLUTION NMR +NUMMDL 38 +AUTHOR J.W.NEIDIGH,R.M.FESINMEYER,N.H.ANDERSEN +REVDAT 2 24-FEB-09 1L2Y 1 VERSN +REVDAT 1 29-MAY-02 1L2Y 0 +JRNL AUTH J.W.NEIDIGH,R.M.FESINMEYER,N.H.ANDERSEN +JRNL TITL DESIGNING A 20-RESIDUE PROTEIN. +JRNL REF NAT.STRUCT.BIOL. V. 9 425 2002 +JRNL REFN ISSN 1072-8368 +JRNL PMID 11979279 +JRNL DOI 10.1038/NSB798 +REMARK 1 +REMARK 2 +REMARK 2 RESOLUTION. NOT APPLICABLE. +REMARK 3 +REMARK 3 REFINEMENT. +REMARK 3 PROGRAM : AMBER 6.0 +REMARK 3 AUTHORS : KOLLMAN +REMARK 3 +REMARK 3 OTHER REFINEMENT REMARKS: 169 NOE DISTANCE CONSTRAINTS WERE +REMARK 3 EMPLOYED. CNS WAS EMPLOYED FOR S.A., FOLLOWED BY MINIMIZATION +REMARK 3 USING THE SANDER MODULE OF AMBER. +REMARK 4 +REMARK 4 1L2Y COMPLIES WITH FORMAT V. 3.15, 01-DEC-08 +REMARK 100 +REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY RCSB ON 28-FEB-02. +REMARK 100 THE RCSB ID CODE IS RCSB015598. +REMARK 210 +REMARK 210 EXPERIMENTAL DETAILS +REMARK 210 EXPERIMENT TYPE : NMR +REMARK 210 TEMPERATURE (KELVIN) : 282 +REMARK 210 PH : 7 +REMARK 210 IONIC STRENGTH : NULL +REMARK 210 PRESSURE : AMBIENT +REMARK 210 SAMPLE CONTENTS : 1.0-1.8 MM TC5B +REMARK 210 +REMARK 210 NMR EXPERIMENTS CONDUCTED : 2D NOESY +REMARK 210 SPECTROMETER FIELD STRENGTH : 500 MHZ +REMARK 210 SPECTROMETER MODEL : DRX +REMARK 210 SPECTROMETER MANUFACTURER : BRUKER +REMARK 210 +REMARK 210 STRUCTURE DETERMINATION. +REMARK 210 SOFTWARE USED : XWINNMR 2.6, FELIX 95, CNS +REMARK 210 1.0, AMBER 6.0 +REMARK 210 METHOD USED : SIMULATED ANNEALING FROM +REMARK 210 RANDOM STRUCTURES FOLLOWED BY +REMARK 210 STEEPEST DESCENT MINIMIZATION +REMARK 210 +REMARK 210 CONFORMERS, NUMBER CALCULATED : 50 +REMARK 210 CONFORMERS, NUMBER SUBMITTED : 38 +REMARK 210 CONFORMERS, SELECTION CRITERIA : STRUCTURES WITH ACCEPTABLE +REMARK 210 COVALENT GEOMETRY, STRUCTURES +REMARK 210 WITH THE LEAST RESTRAINT +REMARK 210 VIOLATIONS +REMARK 210 +REMARK 210 BEST REPRESENTATIVE CONFORMER IN THIS ENSEMBLE : NULL +REMARK 210 +REMARK 210 REMARK: THIS STRUCTURE WAS DETERMINED USING STANDARD 2D +REMARK 210 HOMONUCLEAR TECHNIQUES. +REMARK 215 +REMARK 215 NMR STUDY +REMARK 215 THE COORDINATES IN THIS ENTRY WERE GENERATED FROM SOLUTION +REMARK 215 NMR DATA. PROTEIN DATA BANK CONVENTIONS REQUIRE THAT +REMARK 215 CRYST1 AND SCALE RECORDS BE INCLUDED, BUT THE VALUES ON +REMARK 215 THESE RECORDS ARE MEANINGLESS. +REMARK 500 +REMARK 500 GEOMETRY AND STEREOCHEMISTRY +REMARK 500 SUBTOPIC: COVALENT BOND ANGLES +REMARK 500 +REMARK 500 THE STEREOCHEMICAL PARAMETERS OF THE FOLLOWING RESIDUES +REMARK 500 HAVE VALUES WHICH DEVIATE FROM EXPECTED VALUES BY MORE +REMARK 500 THAN 6*RMSD (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN +REMARK 500 IDENTIFIER; SSEQ=SEQUENCE NUMBER; I=INSERTION CODE). +REMARK 500 +REMARK 500 STANDARD TABLE: +REMARK 500 FORMAT: (10X,I3,1X,A3,1X,A1,I4,A1,3(1X,A4,2X),12X,F5.1) +REMARK 500 +REMARK 500 EXPECTED VALUES PROTEIN: ENGH AND HUBER, 1999 +REMARK 500 EXPECTED VALUES NUCLEIC ACID: CLOWNEY ET AL 1996 +REMARK 500 +REMARK 500 M RES CSSEQI ATM1 ATM2 ATM3 +REMARK 500 2 ARG A 16 NE - CZ - NH1 ANGL. DEV. = 3.6 DEGREES +REMARK 500 13 ARG A 16 NE - CZ - NH1 ANGL. DEV. = 4.7 DEGREES +REMARK 500 +REMARK 500 REMARK: NULL +REMARK 500 +REMARK 500 GEOMETRY AND STEREOCHEMISTRY +REMARK 500 SUBTOPIC: TORSION ANGLES +REMARK 500 +REMARK 500 TORSION ANGLES OUTSIDE THE EXPECTED RAMACHANDRAN REGIONS: +REMARK 500 (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN IDENTIFIER; +REMARK 500 SSEQ=SEQUENCE NUMBER; I=INSERTION CODE). +REMARK 500 +REMARK 500 STANDARD TABLE: +REMARK 500 FORMAT:(10X,I3,1X,A3,1X,A1,I4,A1,4X,F7.2,3X,F7.2) +REMARK 500 +REMARK 500 EXPECTED VALUES: GJ KLEYWEGT AND TA JONES (1996). PHI/PSI- +REMARK 500 CHOLOGY: RAMACHANDRAN REVISITED. STRUCTURE 4, 1395 - 1400 +REMARK 500 +REMARK 500 M RES CSSEQI PSI PHI +REMARK 500 5 LEU A 2 -34.83 72.95 +REMARK 500 6 LEU A 2 -33.93 63.45 +REMARK 500 9 LEU A 2 -18.34 57.13 +REMARK 500 13 LEU A 2 -33.72 66.32 +REMARK 500 18 LEU A 2 -3.11 60.50 +REMARK 500 19 LEU A 2 -1.16 58.98 +REMARK 500 20 LEU A 2 -32.96 68.39 +REMARK 500 23 LEU A 2 -47.12 63.92 +REMARK 500 28 LEU A 2 -2.46 61.26 +REMARK 500 29 LEU A 2 -42.02 66.43 +REMARK 500 34 PRO A 12 11.15 -66.86 +REMARK 500 +REMARK 500 REMARK: NULL +REMARK 900 +REMARK 900 RELATED ENTRIES +REMARK 900 RELATED ID: 5292 RELATED DB: BMRB +REMARK 900 BMRB 5292 IS CHEMICAL SHIFTS FOR TC5B IN BUFFER AND BUFFER +REMARK 900 CONTAINING 30 VOL-% TFE. +REMARK 900 RELATED ID: 1JRJ RELATED DB: PDB +REMARK 900 1JRJ IS AN ANALAGOUS C-TERMINAL STRUCTURE. +DBREF 1L2Y A 1 20 PDB 1L2Y 1L2Y 1 20 +SEQRES 1 A 20 ASN LEU TYR ILE GLN TRP LEU LYS ASP GLY GLY PRO SER +SEQRES 2 A 20 SER GLY ARG PRO PRO PRO SER +HELIX 1 1 ASN A 1 ASP A 9 1 9 +HELIX 2 2 GLY A 10 GLY A 15 5 6 +CRYST1 1.000 1.000 1.000 90.00 90.00 90.00 P 1 1 +ORIGX1 1.000000 0.000000 0.000000 0.00000 +ORIGX2 0.000000 1.000000 0.000000 0.00000 +ORIGX3 0.000000 0.000000 1.000000 0.00000 +SCALE1 1.000000 0.000000 0.000000 0.00000 +SCALE2 0.000000 1.000000 0.000000 0.00000 +SCALE3 0.000000 0.000000 1.000000 0.00000 +MODEL 1 +ATOM 1 N ASN A 1 -8.901 4.127 -0.555 1.00 0.00 N +ATOM 2 CA ASN A 1 -8.608 3.135 -1.618 1.00 0.00 C +ATOM 3 C ASN A 1 -7.117 2.964 -1.897 1.00 0.00 C +ATOM 4 O ASN A 1 -6.634 1.849 -1.758 1.00 0.00 O +ATOM 5 CB ASN A 1 -9.437 3.396 -2.889 1.00 0.00 C +ATOM 6 CG ASN A 1 -10.915 3.130 -2.611 1.00 0.00 C +ATOM 7 OD1 ASN A 1 -11.269 2.700 -1.524 1.00 0.00 O +ATOM 8 ND2 ASN A 1 -11.806 3.406 -3.543 1.00 0.00 N +ATOM 9 H1 ASN A 1 -8.330 3.957 0.261 1.00 0.00 H +ATOM 10 H2 ASN A 1 -8.740 5.068 -0.889 1.00 0.00 H +ATOM 11 H3 ASN A 1 -9.877 4.041 -0.293 1.00 0.00 H +ATOM 12 HA ASN A 1 -8.930 2.162 -1.239 1.00 0.00 H +ATOM 13 HB2 ASN A 1 -9.310 4.417 -3.193 1.00 0.00 H +ATOM 14 HB3 ASN A 1 -9.108 2.719 -3.679 1.00 0.00 H +ATOM 15 HD21 ASN A 1 -11.572 3.791 -4.444 1.00 0.00 H +ATOM 16 HD22 ASN A 1 -12.757 3.183 -3.294 1.00 0.00 H +ATOM 17 N LEU A 2 -6.379 4.031 -2.228 1.00 0.00 N +ATOM 18 CA LEU A 2 -4.923 4.002 -2.452 1.00 0.00 C +ATOM 19 C LEU A 2 -4.136 3.187 -1.404 1.00 0.00 C +ATOM 20 O LEU A 2 -3.391 2.274 -1.760 1.00 0.00 O +ATOM 21 CB LEU A 2 -4.411 5.450 -2.619 1.00 0.00 C +ATOM 22 CG LEU A 2 -4.795 6.450 -1.495 1.00 0.00 C +ATOM 23 CD1 LEU A 2 -3.612 6.803 -0.599 1.00 0.00 C +ATOM 24 CD2 LEU A 2 -5.351 7.748 -2.084 1.00 0.00 C +ATOM 25 H LEU A 2 -6.821 4.923 -2.394 1.00 0.00 H +ATOM 26 HA LEU A 2 -4.750 3.494 -3.403 1.00 0.00 H +ATOM 27 HB2 LEU A 2 -3.340 5.414 -2.672 1.00 0.00 H +ATOM 28 HB3 LEU A 2 -4.813 5.817 -3.564 1.00 0.00 H +ATOM 29 HG LEU A 2 -5.568 6.022 -0.858 1.00 0.00 H +ATOM 30 HD11 LEU A 2 -3.207 5.905 -0.146 1.00 0.00 H +ATOM 31 HD12 LEU A 2 -2.841 7.304 -1.183 1.00 0.00 H +ATOM 32 HD13 LEU A 2 -3.929 7.477 0.197 1.00 0.00 H +ATOM 33 HD21 LEU A 2 -4.607 8.209 -2.736 1.00 0.00 H +ATOM 34 HD22 LEU A 2 -6.255 7.544 -2.657 1.00 0.00 H +ATOM 35 HD23 LEU A 2 -5.592 8.445 -1.281 1.00 0.00 H +ATOM 36 N TYR A 3 -4.354 3.455 -0.111 1.00 0.00 N +ATOM 37 CA TYR A 3 -3.690 2.738 0.981 1.00 0.00 C +ATOM 38 C TYR A 3 -4.102 1.256 1.074 1.00 0.00 C +ATOM 39 O TYR A 3 -3.291 0.409 1.442 1.00 0.00 O +ATOM 40 CB TYR A 3 -3.964 3.472 2.302 1.00 0.00 C +ATOM 41 CG TYR A 3 -2.824 3.339 3.290 1.00 0.00 C +ATOM 42 CD1 TYR A 3 -2.746 2.217 4.138 1.00 0.00 C +ATOM 43 CD2 TYR A 3 -1.820 4.326 3.332 1.00 0.00 C +ATOM 44 CE1 TYR A 3 -1.657 2.076 5.018 1.00 0.00 C +ATOM 45 CE2 TYR A 3 -0.725 4.185 4.205 1.00 0.00 C +ATOM 46 CZ TYR A 3 -0.639 3.053 5.043 1.00 0.00 C +ATOM 47 OH TYR A 3 0.433 2.881 5.861 1.00 0.00 O +ATOM 48 H TYR A 3 -4.934 4.245 0.120 1.00 0.00 H +ATOM 49 HA TYR A 3 -2.615 2.768 0.796 1.00 0.00 H +ATOM 50 HB2 TYR A 3 -4.117 4.513 2.091 1.00 0.00 H +ATOM 51 HB3 TYR A 3 -4.886 3.096 2.750 1.00 0.00 H +ATOM 52 HD1 TYR A 3 -3.513 1.456 4.101 1.00 0.00 H +ATOM 53 HD2 TYR A 3 -1.877 5.200 2.695 1.00 0.00 H +ATOM 54 HE1 TYR A 3 -1.576 1.221 5.669 1.00 0.00 H +ATOM 55 HE2 TYR A 3 0.033 4.952 4.233 1.00 0.00 H +ATOM 56 HH TYR A 3 1.187 3.395 5.567 1.00 0.00 H +ATOM 57 N ILE A 4 -5.342 0.925 0.689 1.00 0.00 N +ATOM 58 CA ILE A 4 -5.857 -0.449 0.613 1.00 0.00 C +ATOM 59 C ILE A 4 -5.089 -1.221 -0.470 1.00 0.00 C +ATOM 60 O ILE A 4 -4.621 -2.334 -0.226 1.00 0.00 O +ATOM 61 CB ILE A 4 -7.386 -0.466 0.343 1.00 0.00 C +ATOM 62 CG1 ILE A 4 -8.197 0.540 1.197 1.00 0.00 C +ATOM 63 CG2 ILE A 4 -7.959 -1.884 0.501 1.00 0.00 C +ATOM 64 CD1 ILE A 4 -8.019 0.412 2.715 1.00 0.00 C +ATOM 65 H ILE A 4 -5.906 1.656 0.283 1.00 0.00 H +ATOM 66 HA ILE A 4 -5.670 -0.941 1.568 1.00 0.00 H +ATOM 67 HB ILE A 4 -7.554 -0.192 -0.697 1.00 0.00 H +ATOM 68 HG12 ILE A 4 -7.900 1.531 0.912 1.00 0.00 H +ATOM 69 HG13 ILE A 4 -9.257 0.424 0.964 1.00 0.00 H +ATOM 70 HG21 ILE A 4 -7.509 -2.555 -0.232 1.00 0.00 H +ATOM 71 HG22 ILE A 4 -7.759 -2.271 1.501 1.00 0.00 H +ATOM 72 HG23 ILE A 4 -9.036 -1.871 0.332 1.00 0.00 H +ATOM 73 HD11 ILE A 4 -8.306 -0.585 3.049 1.00 0.00 H +ATOM 74 HD12 ILE A 4 -6.983 0.606 2.995 1.00 0.00 H +ATOM 75 HD13 ILE A 4 -8.656 1.144 3.213 1.00 0.00 H +ATOM 76 N GLN A 5 -4.907 -0.601 -1.645 1.00 0.00 N +ATOM 77 CA GLN A 5 -4.122 -1.167 -2.743 1.00 0.00 C +ATOM 78 C GLN A 5 -2.629 -1.321 -2.390 1.00 0.00 C +ATOM 79 O GLN A 5 -1.986 -2.240 -2.884 1.00 0.00 O +ATOM 80 CB GLN A 5 -4.292 -0.313 -4.013 1.00 0.00 C +ATOM 81 CG GLN A 5 -4.244 -1.171 -5.290 1.00 0.00 C +ATOM 82 CD GLN A 5 -5.576 -1.860 -5.585 1.00 0.00 C +ATOM 83 OE1 GLN A 5 -5.769 -3.044 -5.335 1.00 0.00 O +ATOM 84 NE2 GLN A 5 -6.532 -1.146 -6.152 1.00 0.00 N +ATOM 85 H GLN A 5 -5.327 0.318 -1.763 1.00 0.00 H +ATOM 86 HA GLN A 5 -4.517 -2.162 -2.940 1.00 0.00 H +ATOM 87 HB2 GLN A 5 -5.238 0.191 -3.969 1.00 0.00 H +ATOM 88 HB3 GLN A 5 -3.492 0.429 -4.053 1.00 0.00 H +ATOM 89 HG2 GLN A 5 -3.993 -0.539 -6.120 1.00 0.00 H +ATOM 90 HG3 GLN A 5 -3.458 -1.923 -5.205 1.00 0.00 H +ATOM 91 HE21 GLN A 5 -6.389 -0.184 -6.408 1.00 0.00 H +ATOM 92 HE22 GLN A 5 -7.392 -1.635 -6.335 1.00 0.00 H +ATOM 93 N TRP A 6 -2.074 -0.459 -1.528 1.00 0.00 N +ATOM 94 CA TRP A 6 -0.716 -0.631 -0.993 1.00 0.00 C +ATOM 95 C TRP A 6 -0.631 -1.766 0.044 1.00 0.00 C +ATOM 96 O TRP A 6 0.295 -2.579 -0.004 1.00 0.00 O +ATOM 97 CB TRP A 6 -0.221 0.703 -0.417 1.00 0.00 C +ATOM 98 CG TRP A 6 1.148 0.652 0.194 1.00 0.00 C +ATOM 99 CD1 TRP A 6 2.319 0.664 -0.482 1.00 0.00 C +ATOM 100 CD2 TRP A 6 1.508 0.564 1.606 1.00 0.00 C +ATOM 101 NE1 TRP A 6 3.371 0.560 0.411 1.00 0.00 N +ATOM 102 CE2 TRP A 6 2.928 0.515 1.710 1.00 0.00 C +ATOM 103 CE3 TRP A 6 0.779 0.524 2.812 1.00 0.00 C +ATOM 104 CZ2 TRP A 6 3.599 0.445 2.938 1.00 0.00 C +ATOM 105 CZ3 TRP A 6 1.439 0.433 4.053 1.00 0.00 C +ATOM 106 CH2 TRP A 6 2.842 0.407 4.120 1.00 0.00 C +ATOM 107 H TRP A 6 -2.624 0.343 -1.242 1.00 0.00 H +ATOM 108 HA TRP A 6 -0.052 -0.908 -1.813 1.00 0.00 H +ATOM 109 HB2 TRP A 6 -0.206 1.425 -1.211 1.00 0.00 H +ATOM 110 HB3 TRP A 6 -0.921 1.044 0.344 1.00 0.00 H +ATOM 111 HD1 TRP A 6 2.412 0.733 -1.558 1.00 0.00 H +ATOM 112 HE1 TRP A 6 4.360 0.536 0.156 1.00 0.00 H +ATOM 113 HE3 TRP A 6 -0.299 0.571 2.773 1.00 0.00 H +ATOM 114 HZ2 TRP A 6 4.679 0.418 2.961 1.00 0.00 H +ATOM 115 HZ3 TRP A 6 0.862 0.400 4.966 1.00 0.00 H +ATOM 116 HH2 TRP A 6 3.334 0.360 5.081 1.00 0.00 H +ATOM 117 N LEU A 7 -1.600 -1.860 0.967 1.00 0.00 N +ATOM 118 CA LEU A 7 -1.641 -2.932 1.963 1.00 0.00 C +ATOM 119 C LEU A 7 -1.847 -4.319 1.342 1.00 0.00 C +ATOM 120 O LEU A 7 -1.144 -5.248 1.742 1.00 0.00 O +ATOM 121 CB LEU A 7 -2.710 -2.645 3.033 1.00 0.00 C +ATOM 122 CG LEU A 7 -2.301 -1.579 4.069 1.00 0.00 C +ATOM 123 CD1 LEU A 7 -3.475 -1.323 5.018 1.00 0.00 C +ATOM 124 CD2 LEU A 7 -1.093 -2.007 4.914 1.00 0.00 C +ATOM 125 H LEU A 7 -2.316 -1.137 0.994 1.00 0.00 H +ATOM 126 HA LEU A 7 -0.666 -2.978 2.445 1.00 0.00 H +ATOM 127 HB2 LEU A 7 -3.600 -2.308 2.537 1.00 0.00 H +ATOM 128 HB3 LEU A 7 -2.921 -3.571 3.572 1.00 0.00 H +ATOM 129 HG LEU A 7 -2.061 -0.649 3.560 1.00 0.00 H +ATOM 130 HD11 LEU A 7 -4.343 -0.992 4.449 1.00 0.00 H +ATOM 131 HD12 LEU A 7 -3.725 -2.237 5.560 1.00 0.00 H +ATOM 132 HD13 LEU A 7 -3.211 -0.549 5.739 1.00 0.00 H +ATOM 133 HD21 LEU A 7 -1.270 -2.989 5.354 1.00 0.00 H +ATOM 134 HD22 LEU A 7 -0.195 -2.045 4.300 1.00 0.00 H +ATOM 135 HD23 LEU A 7 -0.922 -1.286 5.712 1.00 0.00 H +ATOM 136 N LYS A 8 -2.753 -4.481 0.360 1.00 0.00 N +ATOM 137 CA LYS A 8 -3.024 -5.791 -0.269 1.00 0.00 C +ATOM 138 C LYS A 8 -1.796 -6.427 -0.937 1.00 0.00 C +ATOM 139 O LYS A 8 -1.719 -7.648 -1.030 1.00 0.00 O +ATOM 140 CB LYS A 8 -4.224 -5.697 -1.232 1.00 0.00 C +ATOM 141 CG LYS A 8 -3.930 -5.009 -2.577 1.00 0.00 C +ATOM 142 CD LYS A 8 -3.682 -5.986 -3.736 1.00 0.00 C +ATOM 143 CE LYS A 8 -3.494 -5.199 -5.039 1.00 0.00 C +ATOM 144 NZ LYS A 8 -4.563 -5.483 -6.023 1.00 0.00 N +ATOM 145 H LYS A 8 -3.321 -3.675 0.097 1.00 0.00 H +ATOM 146 HA LYS A 8 -3.309 -6.478 0.529 1.00 0.00 H +ATOM 147 HB2 LYS A 8 -4.565 -6.694 -1.436 1.00 0.00 H +ATOM 148 HB3 LYS A 8 -5.019 -5.143 -0.731 1.00 0.00 H +ATOM 149 HG2 LYS A 8 -4.769 -4.390 -2.830 1.00 0.00 H +ATOM 150 HG3 LYS A 8 -3.062 -4.368 -2.469 1.00 0.00 H +ATOM 151 HD2 LYS A 8 -2.799 -6.562 -3.536 1.00 0.00 H +ATOM 152 HD3 LYS A 8 -4.524 -6.674 -3.818 1.00 0.00 H +ATOM 153 HE2 LYS A 8 -3.502 -4.150 -4.813 1.00 0.00 H +ATOM 154 HE3 LYS A 8 -2.511 -5.439 -5.457 1.00 0.00 H +ATOM 155 HZ1 LYS A 8 -4.621 -6.474 -6.211 1.00 0.00 H +ATOM 156 HZ2 LYS A 8 -5.442 -5.124 -5.657 1.00 0.00 H +ATOM 157 HZ3 LYS A 8 -4.382 -4.983 -6.881 1.00 0.00 H +ATOM 158 N ASP A 9 -0.828 -5.607 -1.355 1.00 0.00 N +ATOM 159 CA ASP A 9 0.466 -6.016 -1.905 1.00 0.00 C +ATOM 160 C ASP A 9 1.481 -6.464 -0.832 1.00 0.00 C +ATOM 161 O ASP A 9 2.545 -6.971 -1.194 1.00 0.00 O +ATOM 162 CB ASP A 9 1.033 -4.839 -2.724 1.00 0.00 C +ATOM 163 CG ASP A 9 0.672 -4.906 -4.210 1.00 0.00 C +ATOM 164 OD1 ASP A 9 -0.532 -5.051 -4.522 1.00 0.00 O +ATOM 165 OD2 ASP A 9 1.627 -4.815 -5.017 1.00 0.00 O +ATOM 166 H ASP A 9 -1.010 -4.616 -1.291 1.00 0.00 H +ATOM 167 HA ASP A 9 0.319 -6.867 -2.574 1.00 0.00 H +ATOM 168 HB2 ASP A 9 0.644 -3.924 -2.320 1.00 0.00 H +ATOM 169 HB3 ASP A 9 2.116 -4.837 -2.650 1.00 0.00 H +ATOM 170 N GLY A 10 1.185 -6.278 0.464 1.00 0.00 N +ATOM 171 CA GLY A 10 2.060 -6.618 1.593 1.00 0.00 C +ATOM 172 C GLY A 10 2.628 -5.412 2.353 1.00 0.00 C +ATOM 173 O GLY A 10 3.496 -5.594 3.208 1.00 0.00 O +ATOM 174 H GLY A 10 0.265 -5.908 0.693 1.00 0.00 H +ATOM 175 HA2 GLY A 10 1.486 -7.214 2.304 1.00 0.00 H +ATOM 176 HA3 GLY A 10 2.897 -7.228 1.252 1.00 0.00 H +ATOM 177 N GLY A 11 2.172 -4.187 2.055 1.00 0.00 N +ATOM 178 CA GLY A 11 2.626 -2.967 2.723 1.00 0.00 C +ATOM 179 C GLY A 11 4.157 -2.802 2.654 1.00 0.00 C +ATOM 180 O GLY A 11 4.710 -2.829 1.551 1.00 0.00 O +ATOM 181 H GLY A 11 1.481 -4.089 1.319 1.00 0.00 H +ATOM 182 HA2 GLY A 11 2.164 -2.109 2.237 1.00 0.00 H +ATOM 183 HA3 GLY A 11 2.280 -2.997 3.753 1.00 0.00 H +ATOM 184 N PRO A 12 4.871 -2.651 3.794 1.00 0.00 N +ATOM 185 CA PRO A 12 6.333 -2.533 3.806 1.00 0.00 C +ATOM 186 C PRO A 12 7.058 -3.729 3.165 1.00 0.00 C +ATOM 187 O PRO A 12 8.139 -3.562 2.601 1.00 0.00 O +ATOM 188 CB PRO A 12 6.740 -2.387 5.279 1.00 0.00 C +ATOM 189 CG PRO A 12 5.460 -1.952 5.987 1.00 0.00 C +ATOM 190 CD PRO A 12 4.362 -2.615 5.160 1.00 0.00 C +ATOM 191 HA PRO A 12 6.611 -1.626 3.267 1.00 0.00 H +ATOM 192 HB2 PRO A 12 7.091 -3.323 5.670 1.00 0.00 H +ATOM 193 HB3 PRO A 12 7.531 -1.647 5.403 1.00 0.00 H +ATOM 194 HG2 PRO A 12 5.443 -2.302 7.001 1.00 0.00 H +ATOM 195 HG3 PRO A 12 5.358 -0.867 5.929 1.00 0.00 H +ATOM 196 HD2 PRO A 12 4.173 -3.609 5.516 1.00 0.00 H +ATOM 197 HD3 PRO A 12 3.440 -2.042 5.246 1.00 0.00 H +ATOM 198 N SER A 13 6.463 -4.929 3.205 1.00 0.00 N +ATOM 199 CA SER A 13 7.049 -6.179 2.704 1.00 0.00 C +ATOM 200 C SER A 13 6.897 -6.369 1.185 1.00 0.00 C +ATOM 201 O SER A 13 7.025 -7.488 0.697 1.00 0.00 O +ATOM 202 CB SER A 13 6.458 -7.371 3.472 1.00 0.00 C +ATOM 203 OG SER A 13 6.763 -7.264 4.850 1.00 0.00 O +ATOM 204 H SER A 13 5.535 -4.999 3.613 1.00 0.00 H +ATOM 205 HA SER A 13 8.121 -6.159 2.903 1.00 0.00 H +ATOM 206 HB2 SER A 13 5.393 -7.382 3.344 1.00 0.00 H +ATOM 207 HB3 SER A 13 6.880 -8.302 3.093 1.00 0.00 H +ATOM 208 HG SER A 13 7.707 -7.394 4.970 1.00 0.00 H +ATOM 209 N SER A 14 6.637 -5.290 0.434 1.00 0.00 N +ATOM 210 CA SER A 14 6.389 -5.315 -1.015 1.00 0.00 C +ATOM 211 C SER A 14 7.332 -4.405 -1.823 1.00 0.00 C +ATOM 212 O SER A 14 7.082 -4.123 -2.993 1.00 0.00 O +ATOM 213 CB SER A 14 4.914 -4.993 -1.265 1.00 0.00 C +ATOM 214 OG SER A 14 4.431 -5.743 -2.358 1.00 0.00 O +ATOM 215 H SER A 14 6.509 -4.415 0.930 1.00 0.00 H +ATOM 216 HA SER A 14 6.562 -6.329 -1.378 1.00 0.00 H +ATOM 217 HB2 SER A 14 4.344 -5.236 -0.389 1.00 0.00 H +ATOM 218 HB3 SER A 14 4.778 -3.934 -1.457 1.00 0.00 H +ATOM 219 HG SER A 14 3.714 -6.324 -1.987 1.00 0.00 H +ATOM 220 N GLY A 15 8.419 -3.920 -1.202 1.00 0.00 N +ATOM 221 CA GLY A 15 9.451 -3.116 -1.870 1.00 0.00 C +ATOM 222 C GLY A 15 8.984 -1.725 -2.316 1.00 0.00 C +ATOM 223 O GLY A 15 9.539 -1.177 -3.267 1.00 0.00 O +ATOM 224 H GLY A 15 8.573 -4.210 -0.246 1.00 0.00 H +ATOM 225 HA2 GLY A 15 10.297 -2.987 -1.194 1.00 0.00 H +ATOM 226 HA3 GLY A 15 9.805 -3.652 -2.752 1.00 0.00 H +ATOM 227 N ARG A 16 7.956 -1.164 -1.660 1.00 0.00 N +ATOM 228 CA ARG A 16 7.289 0.084 -2.054 1.00 0.00 C +ATOM 229 C ARG A 16 6.855 0.916 -0.829 1.00 0.00 C +ATOM 230 O ARG A 16 6.222 0.366 0.076 1.00 0.00 O +ATOM 231 CB ARG A 16 6.110 -0.243 -2.994 1.00 0.00 C +ATOM 232 CG ARG A 16 5.046 -1.171 -2.378 1.00 0.00 C +ATOM 233 CD ARG A 16 3.923 -1.592 -3.338 1.00 0.00 C +ATOM 234 NE ARG A 16 4.251 -2.811 -4.100 1.00 0.00 N +ATOM 235 CZ ARG A 16 4.859 -2.914 -5.274 1.00 0.00 C +ATOM 236 NH1 ARG A 16 5.289 -1.864 -5.937 1.00 0.00 N +ATOM 237 NH2 ARG A 16 5.035 -4.095 -5.809 1.00 0.00 N +ATOM 238 H ARG A 16 7.579 -1.676 -0.874 1.00 0.00 H +ATOM 239 HA ARG A 16 8.009 0.663 -2.630 1.00 0.00 H +ATOM 240 HB2 ARG A 16 5.634 0.678 -3.269 1.00 0.00 H +ATOM 241 HB3 ARG A 16 6.524 -0.720 -3.880 1.00 0.00 H +ATOM 242 HG2 ARG A 16 5.538 -2.059 -2.031 1.00 0.00 H +ATOM 243 HG3 ARG A 16 4.579 -0.652 -1.549 1.00 0.00 H +ATOM 244 HD2 ARG A 16 3.033 -1.774 -2.766 1.00 0.00 H +ATOM 245 HD3 ARG A 16 3.669 -0.765 -4.003 1.00 0.00 H +ATOM 246 HE ARG A 16 3.963 -3.694 -3.698 1.00 0.00 H +ATOM 247 HH11 ARG A 16 5.150 -0.962 -5.521 1.00 0.00 H +ATOM 248 HH12 ARG A 16 5.761 -1.962 -6.815 1.00 0.00 H +ATOM 249 HH21 ARG A 16 4.649 -4.894 -5.327 1.00 0.00 H +ATOM 250 HH22 ARG A 16 5.508 -4.205 -6.684 1.00 0.00 H +ATOM 251 N PRO A 17 7.156 2.230 -0.780 1.00 0.00 N +ATOM 252 CA PRO A 17 6.782 3.088 0.345 1.00 0.00 C +ATOM 253 C PRO A 17 5.261 3.331 0.395 1.00 0.00 C +ATOM 254 O PRO A 17 4.586 3.165 -0.624 1.00 0.00 O +ATOM 255 CB PRO A 17 7.554 4.394 0.119 1.00 0.00 C +ATOM 256 CG PRO A 17 7.677 4.474 -1.401 1.00 0.00 C +ATOM 257 CD PRO A 17 7.820 3.010 -1.816 1.00 0.00 C +ATOM 258 HA PRO A 17 7.107 2.628 1.279 1.00 0.00 H +ATOM 259 HB2 PRO A 17 7.009 5.234 0.505 1.00 0.00 H +ATOM 260 HB3 PRO A 17 8.548 4.308 0.561 1.00 0.00 H +ATOM 261 HG2 PRO A 17 6.800 4.914 -1.836 1.00 0.00 H +ATOM 262 HG3 PRO A 17 8.540 5.066 -1.707 1.00 0.00 H +ATOM 263 HD2 PRO A 17 7.349 2.844 -2.766 1.00 0.00 H +ATOM 264 HD3 PRO A 17 8.876 2.739 -1.855 1.00 0.00 H +ATOM 265 N PRO A 18 4.710 3.739 1.555 1.00 0.00 N +ATOM 266 CA PRO A 18 3.287 4.031 1.686 1.00 0.00 C +ATOM 267 C PRO A 18 2.901 5.305 0.913 1.00 0.00 C +ATOM 268 O PRO A 18 3.684 6.256 0.871 1.00 0.00 O +ATOM 269 CB PRO A 18 3.035 4.190 3.187 1.00 0.00 C +ATOM 270 CG PRO A 18 4.385 4.655 3.729 1.00 0.00 C +ATOM 271 CD PRO A 18 5.393 3.949 2.823 1.00 0.00 C +ATOM 272 HA PRO A 18 2.719 3.181 1.316 1.00 0.00 H +ATOM 273 HB2 PRO A 18 2.274 4.924 3.372 1.00 0.00 H +ATOM 274 HB3 PRO A 18 2.781 3.223 3.618 1.00 0.00 H +ATOM 275 HG2 PRO A 18 4.482 5.721 3.654 1.00 0.00 H +ATOM 276 HG3 PRO A 18 4.518 4.377 4.775 1.00 0.00 H +ATOM 277 HD2 PRO A 18 6.262 4.562 2.682 1.00 0.00 H +ATOM 278 HD3 PRO A 18 5.662 2.983 3.253 1.00 0.00 H +ATOM 279 N PRO A 19 1.688 5.360 0.336 1.00 0.00 N +ATOM 280 CA PRO A 19 1.185 6.543 -0.353 1.00 0.00 C +ATOM 281 C PRO A 19 0.715 7.607 0.655 1.00 0.00 C +ATOM 282 O PRO A 19 -0.124 7.324 1.513 1.00 0.00 O +ATOM 283 CB PRO A 19 0.048 6.014 -1.229 1.00 0.00 C +ATOM 284 CG PRO A 19 -0.519 4.852 -0.412 1.00 0.00 C +ATOM 285 CD PRO A 19 0.716 4.275 0.272 1.00 0.00 C +ATOM 286 HA PRO A 19 1.961 6.966 -0.991 1.00 0.00 H +ATOM 287 HB2 PRO A 19 -0.697 6.770 -1.389 1.00 0.00 H +ATOM 288 HB3 PRO A 19 0.463 5.630 -2.162 1.00 0.00 H +ATOM 289 HG2 PRO A 19 -1.232 5.201 0.310 1.00 0.00 H +ATOM 290 HG3 PRO A 19 -1.019 4.114 -1.041 1.00 0.00 H +ATOM 291 HD2 PRO A 19 0.470 3.937 1.260 1.00 0.00 H +ATOM 292 HD3 PRO A 19 1.121 3.461 -0.329 1.00 0.00 H +ATOM 293 N SER A 20 1.271 8.822 0.549 1.00 0.00 N +ATOM 294 CA SER A 20 0.852 10.027 1.285 1.00 0.00 C +ATOM 295 C SER A 20 -0.406 10.657 0.683 1.00 0.00 C +ATOM 296 O SER A 20 -0.387 10.916 -0.540 1.00 0.00 O +ATOM 297 CB SER A 20 1.972 11.071 1.284 1.00 0.00 C +ATOM 298 OG SER A 20 3.120 10.541 1.911 1.00 0.00 O +ATOM 299 OXT SER A 20 -1.341 10.903 1.473 1.00 0.00 O +ATOM 300 H SER A 20 1.969 8.961 -0.165 1.00 0.00 H +ATOM 301 HA SER A 20 0.601 9.760 2.310 1.00 0.00 H +ATOM 302 HB2 SER A 20 2.210 11.338 0.272 1.00 0.00 H +ATOM 303 HB3 SER A 20 1.636 11.959 1.824 1.00 0.00 H +ATOM 304 HG SER A 20 2.831 10.040 2.676 1.00 0.00 H +TER 305 SER A 20 +ENDMDL +MODEL 2 +ATOM 1 N ASN A 1 -6.919 6.901 0.917 1.00 0.00 N +ATOM 2 CA ASN A 1 -7.682 6.025 -0.010 1.00 0.00 C +ATOM 3 C ASN A 1 -6.840 4.889 -0.589 1.00 0.00 C +ATOM 4 O ASN A 1 -7.106 3.741 -0.253 1.00 0.00 O +ATOM 5 CB ASN A 1 -8.428 6.847 -1.072 1.00 0.00 C +ATOM 6 CG ASN A 1 -9.504 7.659 -0.362 1.00 0.00 C +ATOM 7 OD1 ASN A 1 -9.180 8.568 0.382 1.00 0.00 O +ATOM 8 ND2 ASN A 1 -10.768 7.290 -0.468 1.00 0.00 N +ATOM 9 H1 ASN A 1 -6.513 6.358 1.667 1.00 0.00 H +ATOM 10 H2 ASN A 1 -6.191 7.398 0.422 1.00 0.00 H +ATOM 11 H3 ASN A 1 -7.553 7.592 1.308 1.00 0.00 H +ATOM 12 HA ASN A 1 -8.451 5.523 0.581 1.00 0.00 H +ATOM 13 HB2 ASN A 1 -7.743 7.506 -1.571 1.00 0.00 H +ATOM 14 HB3 ASN A 1 -8.886 6.189 -1.811 1.00 0.00 H +ATOM 15 HD21 ASN A 1 -11.078 6.519 -1.037 1.00 0.00 H +ATOM 16 HD22 ASN A 1 -11.417 7.848 0.064 1.00 0.00 H +ATOM 17 N LEU A 2 -5.819 5.175 -1.412 1.00 0.00 N +ATOM 18 CA LEU A 2 -5.020 4.162 -2.130 1.00 0.00 C +ATOM 19 C LEU A 2 -4.244 3.179 -1.224 1.00 0.00 C +ATOM 20 O LEU A 2 -3.761 2.148 -1.693 1.00 0.00 O +ATOM 21 CB LEU A 2 -4.073 4.863 -3.128 1.00 0.00 C +ATOM 22 CG LEU A 2 -4.831 5.608 -4.250 1.00 0.00 C +ATOM 23 CD1 LEU A 2 -5.010 7.109 -3.963 1.00 0.00 C +ATOM 24 CD2 LEU A 2 -4.110 5.465 -5.592 1.00 0.00 C +ATOM 25 H LEU A 2 -5.631 6.133 -1.665 1.00 0.00 H +ATOM 26 HA LEU A 2 -5.709 3.545 -2.710 1.00 0.00 H +ATOM 27 HB2 LEU A 2 -3.472 5.572 -2.591 1.00 0.00 H +ATOM 28 HB3 LEU A 2 -3.451 4.089 -3.583 1.00 0.00 H +ATOM 29 HG LEU A 2 -5.820 5.160 -4.359 1.00 0.00 H +ATOM 30 HD11 LEU A 2 -5.173 7.303 -2.907 1.00 0.00 H +ATOM 31 HD12 LEU A 2 -4.124 7.663 -4.273 1.00 0.00 H +ATOM 32 HD13 LEU A 2 -5.867 7.480 -4.526 1.00 0.00 H +ATOM 33 HD21 LEU A 2 -3.114 5.904 -5.535 1.00 0.00 H +ATOM 34 HD22 LEU A 2 -4.023 4.410 -5.855 1.00 0.00 H +ATOM 35 HD23 LEU A 2 -4.683 5.969 -6.371 1.00 0.00 H +ATOM 36 N TYR A 3 -4.181 3.456 0.082 1.00 0.00 N +ATOM 37 CA TYR A 3 -3.537 2.636 1.105 1.00 0.00 C +ATOM 38 C TYR A 3 -4.038 1.181 1.139 1.00 0.00 C +ATOM 39 O TYR A 3 -3.259 0.273 1.413 1.00 0.00 O +ATOM 40 CB TYR A 3 -3.727 3.313 2.471 1.00 0.00 C +ATOM 41 CG TYR A 3 -2.520 3.154 3.365 1.00 0.00 C +ATOM 42 CD1 TYR A 3 -2.382 2.007 4.169 1.00 0.00 C +ATOM 43 CD2 TYR A 3 -1.514 4.139 3.357 1.00 0.00 C +ATOM 44 CE1 TYR A 3 -1.233 1.840 4.963 1.00 0.00 C +ATOM 45 CE2 TYR A 3 -0.365 3.977 4.149 1.00 0.00 C +ATOM 46 CZ TYR A 3 -0.218 2.820 4.947 1.00 0.00 C +ATOM 47 OH TYR A 3 0.909 2.639 5.687 1.00 0.00 O +ATOM 48 H TYR A 3 -4.618 4.309 0.378 1.00 0.00 H +ATOM 49 HA TYR A 3 -2.470 2.610 0.881 1.00 0.00 H +ATOM 50 HB2 TYR A 3 -3.905 4.360 2.315 1.00 0.00 H +ATOM 51 HB3 TYR A 3 -4.610 2.907 2.968 1.00 0.00 H +ATOM 52 HD1 TYR A 3 -3.154 1.253 4.165 1.00 0.00 H +ATOM 53 HD2 TYR A 3 -1.614 5.025 2.743 1.00 0.00 H +ATOM 54 HE1 TYR A 3 -1.110 0.964 5.579 1.00 0.00 H +ATOM 55 HE2 TYR A 3 0.390 4.746 4.148 1.00 0.00 H +ATOM 56 HH TYR A 3 1.602 3.248 5.433 1.00 0.00 H +ATOM 57 N ILE A 4 -5.316 0.947 0.804 1.00 0.00 N +ATOM 58 CA ILE A 4 -5.914 -0.393 0.686 1.00 0.00 C +ATOM 59 C ILE A 4 -5.157 -1.200 -0.382 1.00 0.00 C +ATOM 60 O ILE A 4 -4.755 -2.338 -0.140 1.00 0.00 O +ATOM 61 CB ILE A 4 -7.421 -0.283 0.330 1.00 0.00 C +ATOM 62 CG1 ILE A 4 -8.214 0.632 1.300 1.00 0.00 C +ATOM 63 CG2 ILE A 4 -8.099 -1.670 0.270 1.00 0.00 C +ATOM 64 CD1 ILE A 4 -9.489 1.191 0.662 1.00 0.00 C +ATOM 65 H ILE A 4 -5.889 1.753 0.580 1.00 0.00 H +ATOM 66 HA ILE A 4 -5.814 -0.911 1.639 1.00 0.00 H +ATOM 67 HB ILE A 4 -7.477 0.157 -0.667 1.00 0.00 H +ATOM 68 HG12 ILE A 4 -8.484 0.062 2.168 1.00 0.00 H +ATOM 69 HG13 ILE A 4 -7.616 1.489 1.603 1.00 0.00 H +ATOM 70 HG21 ILE A 4 -7.421 -2.428 -0.112 1.00 0.00 H +ATOM 71 HG22 ILE A 4 -8.432 -1.979 1.263 1.00 0.00 H +ATOM 72 HG23 ILE A 4 -8.967 -1.620 -0.389 1.00 0.00 H +ATOM 73 HD11 ILE A 4 -9.235 1.742 -0.245 1.00 0.00 H +ATOM 74 HD12 ILE A 4 -10.180 0.385 0.416 1.00 0.00 H +ATOM 75 HD13 ILE A 4 -9.973 1.875 1.360 1.00 0.00 H +ATOM 76 N GLN A 5 -4.948 -0.605 -1.564 1.00 0.00 N +ATOM 77 CA GLN A 5 -4.253 -1.225 -2.692 1.00 0.00 C +ATOM 78 C GLN A 5 -2.763 -1.444 -2.393 1.00 0.00 C +ATOM 79 O GLN A 5 -2.186 -2.435 -2.832 1.00 0.00 O +ATOM 80 CB GLN A 5 -4.443 -0.345 -3.944 1.00 0.00 C +ATOM 81 CG GLN A 5 -4.608 -1.157 -5.242 1.00 0.00 C +ATOM 82 CD GLN A 5 -5.950 -0.859 -5.909 1.00 0.00 C +ATOM 83 OE1 GLN A 5 -6.138 0.164 -6.544 1.00 0.00 O +ATOM 84 NE2 GLN A 5 -6.941 -1.718 -5.770 1.00 0.00 N +ATOM 85 H GLN A 5 -5.217 0.365 -1.657 1.00 0.00 H +ATOM 86 HA GLN A 5 -4.707 -2.201 -2.864 1.00 0.00 H +ATOM 87 HB2 GLN A 5 -5.320 0.258 -3.806 1.00 0.00 H +ATOM 88 HB3 GLN A 5 -3.591 0.328 -4.050 1.00 0.00 H +ATOM 89 HG2 GLN A 5 -3.816 -0.901 -5.919 1.00 0.00 H +ATOM 90 HG3 GLN A 5 -4.525 -2.228 -5.051 1.00 0.00 H +ATOM 91 HE21 GLN A 5 -6.847 -2.590 -5.280 1.00 0.00 H +ATOM 92 HE22 GLN A 5 -7.781 -1.439 -6.247 1.00 0.00 H +ATOM 93 N TRP A 6 -2.145 -0.549 -1.610 1.00 0.00 N +ATOM 94 CA TRP A 6 -0.791 -0.749 -1.090 1.00 0.00 C +ATOM 95 C TRP A 6 -0.713 -1.909 -0.084 1.00 0.00 C +ATOM 96 O TRP A 6 0.161 -2.766 -0.210 1.00 0.00 O +ATOM 97 CB TRP A 6 -0.266 0.564 -0.501 1.00 0.00 C +ATOM 98 CG TRP A 6 1.149 0.501 -0.014 1.00 0.00 C +ATOM 99 CD1 TRP A 6 2.254 0.539 -0.795 1.00 0.00 C +ATOM 100 CD2 TRP A 6 1.637 0.388 1.358 1.00 0.00 C +ATOM 101 NE1 TRP A 6 3.382 0.433 -0.006 1.00 0.00 N +ATOM 102 CE2 TRP A 6 3.062 0.366 1.327 1.00 0.00 C +ATOM 103 CE3 TRP A 6 1.023 0.313 2.627 1.00 0.00 C +ATOM 104 CZ2 TRP A 6 3.844 0.308 2.487 1.00 0.00 C +ATOM 105 CZ3 TRP A 6 1.800 0.231 3.799 1.00 0.00 C +ATOM 106 CH2 TRP A 6 3.205 0.246 3.733 1.00 0.00 C +ATOM 107 H TRP A 6 -2.669 0.277 -1.341 1.00 0.00 H +ATOM 108 HA TRP A 6 -0.144 -1.024 -1.920 1.00 0.00 H +ATOM 109 HB2 TRP A 6 -0.327 1.320 -1.260 1.00 0.00 H +ATOM 110 HB3 TRP A 6 -0.903 0.868 0.329 1.00 0.00 H +ATOM 111 HD1 TRP A 6 2.260 0.636 -1.868 1.00 0.00 H +ATOM 112 HE1 TRP A 6 4.347 0.425 -0.348 1.00 0.00 H +ATOM 113 HE3 TRP A 6 -0.055 0.327 2.692 1.00 0.00 H +ATOM 114 HZ2 TRP A 6 4.922 0.297 2.403 1.00 0.00 H +ATOM 115 HZ3 TRP A 6 1.315 0.170 4.763 1.00 0.00 H +ATOM 116 HH2 TRP A 6 3.791 0.201 4.639 1.00 0.00 H +ATOM 117 N LEU A 7 -1.646 -1.992 0.877 1.00 0.00 N +ATOM 118 CA LEU A 7 -1.701 -3.105 1.831 1.00 0.00 C +ATOM 119 C LEU A 7 -1.917 -4.465 1.152 1.00 0.00 C +ATOM 120 O LEU A 7 -1.290 -5.437 1.570 1.00 0.00 O +ATOM 121 CB LEU A 7 -2.777 -2.856 2.905 1.00 0.00 C +ATOM 122 CG LEU A 7 -2.370 -1.808 3.958 1.00 0.00 C +ATOM 123 CD1 LEU A 7 -3.595 -1.444 4.805 1.00 0.00 C +ATOM 124 CD2 LEU A 7 -1.255 -2.296 4.897 1.00 0.00 C +ATOM 125 H LEU A 7 -2.325 -1.238 0.964 1.00 0.00 H +ATOM 126 HA LEU A 7 -0.726 -3.167 2.315 1.00 0.00 H +ATOM 127 HB2 LEU A 7 -3.670 -2.517 2.417 1.00 0.00 H +ATOM 128 HB3 LEU A 7 -2.988 -3.793 3.422 1.00 0.00 H +ATOM 129 HG LEU A 7 -2.023 -0.911 3.448 1.00 0.00 H +ATOM 130 HD11 LEU A 7 -4.368 -1.013 4.171 1.00 0.00 H +ATOM 131 HD12 LEU A 7 -3.990 -2.337 5.292 1.00 0.00 H +ATOM 132 HD13 LEU A 7 -3.314 -0.721 5.570 1.00 0.00 H +ATOM 133 HD21 LEU A 7 -1.674 -2.706 5.816 1.00 0.00 H +ATOM 134 HD22 LEU A 7 -0.651 -3.072 4.431 1.00 0.00 H +ATOM 135 HD23 LEU A 7 -0.606 -1.459 5.148 1.00 0.00 H +ATOM 136 N LYS A 8 -2.727 -4.538 0.081 1.00 0.00 N +ATOM 137 CA LYS A 8 -2.916 -5.759 -0.732 1.00 0.00 C +ATOM 138 C LYS A 8 -1.597 -6.366 -1.231 1.00 0.00 C +ATOM 139 O LYS A 8 -1.499 -7.582 -1.342 1.00 0.00 O +ATOM 140 CB LYS A 8 -3.803 -5.459 -1.952 1.00 0.00 C +ATOM 141 CG LYS A 8 -5.289 -5.218 -1.653 1.00 0.00 C +ATOM 142 CD LYS A 8 -6.117 -6.512 -1.588 1.00 0.00 C +ATOM 143 CE LYS A 8 -7.591 -6.248 -1.927 1.00 0.00 C +ATOM 144 NZ LYS A 8 -8.242 -5.337 -0.956 1.00 0.00 N +ATOM 145 H LYS A 8 -3.244 -3.695 -0.159 1.00 0.00 H +ATOM 146 HA LYS A 8 -3.390 -6.527 -0.119 1.00 0.00 H +ATOM 147 HB2 LYS A 8 -3.417 -4.581 -2.432 1.00 0.00 H +ATOM 148 HB3 LYS A 8 -3.718 -6.282 -2.665 1.00 0.00 H +ATOM 149 HG2 LYS A 8 -5.369 -4.715 -0.708 1.00 0.00 H +ATOM 150 HG3 LYS A 8 -5.682 -4.593 -2.456 1.00 0.00 H +ATOM 151 HD2 LYS A 8 -5.718 -7.218 -2.290 1.00 0.00 H +ATOM 152 HD3 LYS A 8 -6.028 -6.959 -0.595 1.00 0.00 H +ATOM 153 HE2 LYS A 8 -7.646 -5.806 -2.903 1.00 0.00 H +ATOM 154 HE3 LYS A 8 -8.119 -7.204 -1.955 1.00 0.00 H +ATOM 155 HZ1 LYS A 8 -8.219 -5.741 -0.030 1.00 0.00 H +ATOM 156 HZ2 LYS A 8 -7.756 -4.452 -0.934 1.00 0.00 H +ATOM 157 HZ3 LYS A 8 -9.207 -5.176 -1.217 1.00 0.00 H +ATOM 158 N ASP A 9 -0.598 -5.528 -1.520 1.00 0.00 N +ATOM 159 CA ASP A 9 0.739 -5.926 -1.971 1.00 0.00 C +ATOM 160 C ASP A 9 1.608 -6.494 -0.823 1.00 0.00 C +ATOM 161 O ASP A 9 2.705 -7.002 -1.069 1.00 0.00 O +ATOM 162 CB ASP A 9 1.387 -4.675 -2.604 1.00 0.00 C +ATOM 163 CG ASP A 9 2.379 -4.929 -3.745 1.00 0.00 C +ATOM 164 OD1 ASP A 9 2.947 -6.037 -3.844 1.00 0.00 O +ATOM 165 OD2 ASP A 9 2.565 -3.967 -4.523 1.00 0.00 O +ATOM 166 H ASP A 9 -0.766 -4.537 -1.399 1.00 0.00 H +ATOM 167 HA ASP A 9 0.643 -6.697 -2.737 1.00 0.00 H +ATOM 168 HB2 ASP A 9 0.598 -4.057 -2.988 1.00 0.00 H +ATOM 169 HB3 ASP A 9 1.882 -4.089 -1.828 1.00 0.00 H +ATOM 170 N GLY A 10 1.186 -6.365 0.446 1.00 0.00 N +ATOM 171 CA GLY A 10 1.973 -6.740 1.632 1.00 0.00 C +ATOM 172 C GLY A 10 2.532 -5.564 2.451 1.00 0.00 C +ATOM 173 O GLY A 10 3.354 -5.783 3.347 1.00 0.00 O +ATOM 174 H GLY A 10 0.256 -5.985 0.605 1.00 0.00 H +ATOM 175 HA2 GLY A 10 1.333 -7.328 2.291 1.00 0.00 H +ATOM 176 HA3 GLY A 10 2.812 -7.373 1.342 1.00 0.00 H +ATOM 177 N GLY A 11 2.105 -4.325 2.171 1.00 0.00 N +ATOM 178 CA GLY A 11 2.505 -3.133 2.918 1.00 0.00 C +ATOM 179 C GLY A 11 4.031 -2.908 2.926 1.00 0.00 C +ATOM 180 O GLY A 11 4.638 -2.849 1.855 1.00 0.00 O +ATOM 181 H GLY A 11 1.516 -4.204 1.357 1.00 0.00 H +ATOM 182 HA2 GLY A 11 2.038 -2.263 2.459 1.00 0.00 H +ATOM 183 HA3 GLY A 11 2.123 -3.226 3.932 1.00 0.00 H +ATOM 184 N PRO A 12 4.693 -2.777 4.097 1.00 0.00 N +ATOM 185 CA PRO A 12 6.148 -2.595 4.163 1.00 0.00 C +ATOM 186 C PRO A 12 6.957 -3.724 3.506 1.00 0.00 C +ATOM 187 O PRO A 12 8.099 -3.504 3.110 1.00 0.00 O +ATOM 188 CB PRO A 12 6.499 -2.497 5.652 1.00 0.00 C +ATOM 189 CG PRO A 12 5.185 -2.111 6.326 1.00 0.00 C +ATOM 190 CD PRO A 12 4.127 -2.769 5.441 1.00 0.00 C +ATOM 191 HA PRO A 12 6.400 -1.655 3.673 1.00 0.00 H +ATOM 192 HB2 PRO A 12 6.853 -3.440 6.022 1.00 0.00 H +ATOM 193 HB3 PRO A 12 7.273 -1.749 5.829 1.00 0.00 H +ATOM 194 HG2 PRO A 12 5.140 -2.494 7.327 1.00 0.00 H +ATOM 195 HG3 PRO A 12 5.066 -1.027 6.297 1.00 0.00 H +ATOM 196 HD2 PRO A 12 3.932 -3.771 5.772 1.00 0.00 H +ATOM 197 HD3 PRO A 12 3.200 -2.199 5.491 1.00 0.00 H +ATOM 198 N SER A 13 6.381 -4.927 3.375 1.00 0.00 N +ATOM 199 CA SER A 13 7.056 -6.106 2.818 1.00 0.00 C +ATOM 200 C SER A 13 7.017 -6.159 1.275 1.00 0.00 C +ATOM 201 O SER A 13 7.448 -7.142 0.680 1.00 0.00 O +ATOM 202 CB SER A 13 6.474 -7.366 3.479 1.00 0.00 C +ATOM 203 OG SER A 13 7.471 -8.354 3.649 1.00 0.00 O +ATOM 204 H SER A 13 5.406 -5.030 3.647 1.00 0.00 H +ATOM 205 HA SER A 13 8.108 -6.044 3.095 1.00 0.00 H +ATOM 206 HB2 SER A 13 6.071 -7.105 4.439 1.00 0.00 H +ATOM 207 HB3 SER A 13 5.651 -7.761 2.885 1.00 0.00 H +ATOM 208 HG SER A 13 8.161 -8.011 4.225 1.00 0.00 H +ATOM 209 N SER A 14 6.529 -5.095 0.619 1.00 0.00 N +ATOM 210 CA SER A 14 6.302 -5.007 -0.834 1.00 0.00 C +ATOM 211 C SER A 14 7.350 -4.180 -1.591 1.00 0.00 C +ATOM 212 O SER A 14 7.202 -3.947 -2.792 1.00 0.00 O +ATOM 213 CB SER A 14 4.935 -4.369 -1.091 1.00 0.00 C +ATOM 214 OG SER A 14 3.965 -4.957 -0.265 1.00 0.00 O +ATOM 215 H SER A 14 6.105 -4.361 1.178 1.00 0.00 H +ATOM 216 HA SER A 14 6.289 -6.011 -1.260 1.00 0.00 H +ATOM 217 HB2 SER A 14 4.989 -3.318 -0.882 1.00 0.00 H +ATOM 218 HB3 SER A 14 4.656 -4.489 -2.138 1.00 0.00 H +ATOM 219 HG SER A 14 3.647 -5.806 -0.666 1.00 0.00 H +ATOM 220 N GLY A 15 8.373 -3.654 -0.908 1.00 0.00 N +ATOM 221 CA GLY A 15 9.445 -2.839 -1.497 1.00 0.00 C +ATOM 222 C GLY A 15 9.049 -1.393 -1.840 1.00 0.00 C +ATOM 223 O GLY A 15 9.855 -0.483 -1.659 1.00 0.00 O +ATOM 224 H GLY A 15 8.407 -3.857 0.081 1.00 0.00 H +ATOM 225 HA2 GLY A 15 10.287 -2.809 -0.807 1.00 0.00 H +ATOM 226 HA3 GLY A 15 9.786 -3.320 -2.417 1.00 0.00 H +ATOM 227 N ARG A 16 7.819 -1.163 -2.323 1.00 0.00 N +ATOM 228 CA ARG A 16 7.267 0.167 -2.623 1.00 0.00 C +ATOM 229 C ARG A 16 6.861 0.912 -1.332 1.00 0.00 C +ATOM 230 O ARG A 16 6.127 0.334 -0.526 1.00 0.00 O +ATOM 231 CB ARG A 16 6.068 -0.003 -3.571 1.00 0.00 C +ATOM 232 CG ARG A 16 5.414 1.333 -3.977 1.00 0.00 C +ATOM 233 CD ARG A 16 4.325 1.183 -5.049 1.00 0.00 C +ATOM 234 NE ARG A 16 3.153 0.425 -4.574 1.00 0.00 N +ATOM 235 CZ ARG A 16 2.950 -0.885 -4.652 1.00 0.00 C +ATOM 236 NH1 ARG A 16 3.781 -1.719 -5.224 1.00 0.00 N +ATOM 237 NH2 ARG A 16 1.882 -1.432 -4.137 1.00 0.00 N +ATOM 238 H ARG A 16 7.253 -1.991 -2.486 1.00 0.00 H +ATOM 239 HA ARG A 16 8.044 0.730 -3.139 1.00 0.00 H +ATOM 240 HB2 ARG A 16 6.405 -0.501 -4.460 1.00 0.00 H +ATOM 241 HB3 ARG A 16 5.323 -0.632 -3.081 1.00 0.00 H +ATOM 242 HG2 ARG A 16 4.972 1.774 -3.104 1.00 0.00 H +ATOM 243 HG3 ARG A 16 6.184 1.994 -4.374 1.00 0.00 H +ATOM 244 HD2 ARG A 16 4.002 2.161 -5.348 1.00 0.00 H +ATOM 245 HD3 ARG A 16 4.750 0.718 -5.940 1.00 0.00 H +ATOM 246 HE ARG A 16 2.420 0.960 -4.143 1.00 0.00 H +ATOM 247 HH11 ARG A 16 4.628 -1.423 -5.666 1.00 0.00 H +ATOM 248 HH12 ARG A 16 3.523 -2.718 -5.142 1.00 0.00 H +ATOM 249 HH21 ARG A 16 1.142 -0.941 -3.681 1.00 0.00 H +ATOM 250 HH22 ARG A 16 1.880 -2.460 -4.219 1.00 0.00 H +ATOM 251 N PRO A 17 7.251 2.191 -1.139 1.00 0.00 N +ATOM 252 CA PRO A 17 6.871 2.981 0.038 1.00 0.00 C +ATOM 253 C PRO A 17 5.351 3.255 0.119 1.00 0.00 C +ATOM 254 O PRO A 17 4.652 3.132 -0.890 1.00 0.00 O +ATOM 255 CB PRO A 17 7.673 4.286 -0.077 1.00 0.00 C +ATOM 256 CG PRO A 17 7.906 4.435 -1.577 1.00 0.00 C +ATOM 257 CD PRO A 17 8.086 2.989 -2.028 1.00 0.00 C +ATOM 258 HA PRO A 17 7.180 2.447 0.936 1.00 0.00 H +ATOM 259 HB2 PRO A 17 7.111 5.116 0.307 1.00 0.00 H +ATOM 260 HB3 PRO A 17 8.633 4.169 0.430 1.00 0.00 H +ATOM 261 HG2 PRO A 17 7.061 4.889 -2.058 1.00 0.00 H +ATOM 262 HG3 PRO A 17 8.783 5.042 -1.795 1.00 0.00 H +ATOM 263 HD2 PRO A 17 7.767 2.872 -3.046 1.00 0.00 H +ATOM 264 HD3 PRO A 17 9.129 2.692 -1.905 1.00 0.00 H +ATOM 265 N PRO A 18 4.829 3.643 1.300 1.00 0.00 N +ATOM 266 CA PRO A 18 3.403 3.904 1.495 1.00 0.00 C +ATOM 267 C PRO A 18 2.923 5.149 0.722 1.00 0.00 C +ATOM 268 O PRO A 18 3.644 6.147 0.672 1.00 0.00 O +ATOM 269 CB PRO A 18 3.222 4.081 3.006 1.00 0.00 C +ATOM 270 CG PRO A 18 4.595 4.541 3.490 1.00 0.00 C +ATOM 271 CD PRO A 18 5.551 3.810 2.554 1.00 0.00 C +ATOM 272 HA PRO A 18 2.843 3.030 1.174 1.00 0.00 H +ATOM 273 HB2 PRO A 18 2.475 4.822 3.217 1.00 0.00 H +ATOM 274 HB3 PRO A 18 2.979 3.120 3.459 1.00 0.00 H +ATOM 275 HG2 PRO A 18 4.701 5.605 3.396 1.00 0.00 H +ATOM 276 HG3 PRO A 18 4.768 4.278 4.535 1.00 0.00 H +ATOM 277 HD2 PRO A 18 6.440 4.391 2.399 1.00 0.00 H +ATOM 278 HD3 PRO A 18 5.790 2.828 2.968 1.00 0.00 H +ATOM 279 N PRO A 19 1.700 5.129 0.152 1.00 0.00 N +ATOM 280 CA PRO A 19 1.125 6.268 -0.557 1.00 0.00 C +ATOM 281 C PRO A 19 0.575 7.306 0.435 1.00 0.00 C +ATOM 282 O PRO A 19 -0.344 7.009 1.205 1.00 0.00 O +ATOM 283 CB PRO A 19 0.028 5.669 -1.440 1.00 0.00 C +ATOM 284 CG PRO A 19 -0.475 4.478 -0.625 1.00 0.00 C +ATOM 285 CD PRO A 19 0.782 3.998 0.106 1.00 0.00 C +ATOM 286 HA PRO A 19 1.879 6.738 -1.190 1.00 0.00 H +ATOM 287 HB2 PRO A 19 -0.759 6.379 -1.608 1.00 0.00 H +ATOM 288 HB3 PRO A 19 0.474 5.307 -2.369 1.00 0.00 H +ATOM 289 HG2 PRO A 19 -1.233 4.781 0.071 1.00 0.00 H +ATOM 290 HG3 PRO A 19 -0.891 3.701 -1.265 1.00 0.00 H +ATOM 291 HD2 PRO A 19 0.533 3.683 1.101 1.00 0.00 H +ATOM 292 HD3 PRO A 19 1.245 3.191 -0.461 1.00 0.00 H +ATOM 293 N SER A 20 1.145 8.513 0.410 1.00 0.00 N +ATOM 294 CA SER A 20 0.696 9.699 1.148 1.00 0.00 C +ATOM 295 C SER A 20 -0.231 10.590 0.317 1.00 0.00 C +ATOM 296 O SER A 20 -1.174 11.122 0.943 1.00 0.00 O +ATOM 297 CB SER A 20 1.911 10.475 1.671 1.00 0.00 C +ATOM 298 OG SER A 20 2.908 10.615 0.673 1.00 0.00 O +ATOM 299 OXT SER A 20 -0.010 10.716 -0.908 1.00 0.00 O +ATOM 300 H SER A 20 1.907 8.704 -0.228 1.00 0.00 H +ATOM 301 HA SER A 20 0.105 9.384 2.006 1.00 0.00 H +ATOM 302 HB2 SER A 20 1.593 11.450 1.985 1.00 0.00 H +ATOM 303 HB3 SER A 20 2.334 9.927 2.515 1.00 0.00 H +ATOM 304 HG SER A 20 3.569 11.243 0.968 1.00 0.00 H +TER 305 SER A 20 +ENDMDL +MODEL 3 +ATOM 1 N ASN A 1 -6.589 7.754 -0.571 1.00 0.00 N +ATOM 2 CA ASN A 1 -7.389 6.514 -0.405 1.00 0.00 C +ATOM 3 C ASN A 1 -6.780 5.255 -1.052 1.00 0.00 C +ATOM 4 O ASN A 1 -7.487 4.266 -1.200 1.00 0.00 O +ATOM 5 CB ASN A 1 -8.845 6.767 -0.857 1.00 0.00 C +ATOM 6 CG ASN A 1 -9.521 7.797 0.047 1.00 0.00 C +ATOM 7 OD1 ASN A 1 -8.922 8.257 1.009 1.00 0.00 O +ATOM 8 ND2 ASN A 1 -10.737 8.213 -0.242 1.00 0.00 N +ATOM 9 H1 ASN A 1 -5.686 7.665 -0.127 1.00 0.00 H +ATOM 10 H2 ASN A 1 -6.476 7.977 -1.550 1.00 0.00 H +ATOM 11 H3 ASN A 1 -7.086 8.512 -0.117 1.00 0.00 H +ATOM 12 HA ASN A 1 -7.439 6.298 0.664 1.00 0.00 H +ATOM 13 HB2 ASN A 1 -8.842 7.132 -1.866 1.00 0.00 H +ATOM 14 HB3 ASN A 1 -9.424 5.843 -0.797 1.00 0.00 H +ATOM 15 HD21 ASN A 1 -11.261 7.891 -1.039 1.00 0.00 H +ATOM 16 HD22 ASN A 1 -11.125 8.874 0.414 1.00 0.00 H +ATOM 17 N LEU A 2 -5.480 5.231 -1.392 1.00 0.00 N +ATOM 18 CA LEU A 2 -4.832 4.056 -2.001 1.00 0.00 C +ATOM 19 C LEU A 2 -4.184 3.091 -0.988 1.00 0.00 C +ATOM 20 O LEU A 2 -3.640 2.061 -1.389 1.00 0.00 O +ATOM 21 CB LEU A 2 -3.822 4.536 -3.062 1.00 0.00 C +ATOM 22 CG LEU A 2 -4.511 4.943 -4.385 1.00 0.00 C +ATOM 23 CD1 LEU A 2 -4.400 6.448 -4.640 1.00 0.00 C +ATOM 24 CD2 LEU A 2 -3.900 4.181 -5.563 1.00 0.00 C +ATOM 25 H LEU A 2 -4.873 6.022 -1.250 1.00 0.00 H +ATOM 26 HA LEU A 2 -5.585 3.455 -2.516 1.00 0.00 H +ATOM 27 HB2 LEU A 2 -3.291 5.384 -2.674 1.00 0.00 H +ATOM 28 HB3 LEU A 2 -3.120 3.726 -3.266 1.00 0.00 H +ATOM 29 HG LEU A 2 -5.571 4.692 -4.345 1.00 0.00 H +ATOM 30 HD11 LEU A 2 -4.890 6.998 -3.839 1.00 0.00 H +ATOM 31 HD12 LEU A 2 -3.352 6.744 -4.701 1.00 0.00 H +ATOM 32 HD13 LEU A 2 -4.890 6.694 -5.582 1.00 0.00 H +ATOM 33 HD21 LEU A 2 -2.824 4.351 -5.605 1.00 0.00 H +ATOM 34 HD22 LEU A 2 -4.093 3.114 -5.443 1.00 0.00 H +ATOM 35 HD23 LEU A 2 -4.353 4.513 -6.498 1.00 0.00 H +ATOM 36 N TYR A 3 -4.252 3.387 0.316 1.00 0.00 N +ATOM 37 CA TYR A 3 -3.584 2.609 1.367 1.00 0.00 C +ATOM 38 C TYR A 3 -4.003 1.131 1.375 1.00 0.00 C +ATOM 39 O TYR A 3 -3.167 0.257 1.584 1.00 0.00 O +ATOM 40 CB TYR A 3 -3.828 3.261 2.737 1.00 0.00 C +ATOM 41 CG TYR A 3 -2.625 3.147 3.649 1.00 0.00 C +ATOM 42 CD1 TYR A 3 -2.431 2.000 4.441 1.00 0.00 C +ATOM 43 CD2 TYR A 3 -1.668 4.180 3.663 1.00 0.00 C +ATOM 44 CE1 TYR A 3 -1.274 1.880 5.234 1.00 0.00 C +ATOM 45 CE2 TYR A 3 -0.512 4.070 4.456 1.00 0.00 C +ATOM 46 CZ TYR A 3 -0.306 2.910 5.235 1.00 0.00 C +ATOM 47 OH TYR A 3 0.828 2.769 5.969 1.00 0.00 O +ATOM 48 H TYR A 3 -4.725 4.233 0.586 1.00 0.00 H +ATOM 49 HA TYR A 3 -2.512 2.640 1.167 1.00 0.00 H +ATOM 50 HB2 TYR A 3 -4.053 4.300 2.590 1.00 0.00 H +ATOM 51 HB3 TYR A 3 -4.698 2.806 3.217 1.00 0.00 H +ATOM 52 HD1 TYR A 3 -3.165 1.208 4.426 1.00 0.00 H +ATOM 53 HD2 TYR A 3 -1.819 5.061 3.058 1.00 0.00 H +ATOM 54 HE1 TYR A 3 -1.103 1.003 5.839 1.00 0.00 H +ATOM 55 HE2 TYR A 3 0.213 4.873 4.463 1.00 0.00 H +ATOM 56 HH TYR A 3 1.448 3.481 5.798 1.00 0.00 H +ATOM 57 N ILE A 4 -5.279 0.849 1.085 1.00 0.00 N +ATOM 58 CA ILE A 4 -5.832 -0.507 0.951 1.00 0.00 C +ATOM 59 C ILE A 4 -5.162 -1.250 -0.218 1.00 0.00 C +ATOM 60 O ILE A 4 -4.774 -2.406 -0.080 1.00 0.00 O +ATOM 61 CB ILE A 4 -7.364 -0.433 0.749 1.00 0.00 C +ATOM 62 CG1 ILE A 4 -8.090 0.338 1.884 1.00 0.00 C +ATOM 63 CG2 ILE A 4 -7.975 -1.842 0.631 1.00 0.00 C +ATOM 64 CD1 ILE A 4 -9.163 1.282 1.326 1.00 0.00 C +ATOM 65 H ILE A 4 -5.896 1.633 0.934 1.00 0.00 H +ATOM 66 HA ILE A 4 -5.625 -1.065 1.865 1.00 0.00 H +ATOM 67 HB ILE A 4 -7.545 0.087 -0.194 1.00 0.00 H +ATOM 68 HG12 ILE A 4 -8.556 -0.369 2.543 1.00 0.00 H +ATOM 69 HG13 ILE A 4 -7.392 0.938 2.466 1.00 0.00 H +ATOM 70 HG21 ILE A 4 -7.611 -2.347 -0.263 1.00 0.00 H +ATOM 71 HG22 ILE A 4 -7.710 -2.438 1.506 1.00 0.00 H +ATOM 72 HG23 ILE A 4 -9.061 -1.773 0.565 1.00 0.00 H +ATOM 73 HD11 ILE A 4 -8.695 2.037 0.690 1.00 0.00 H +ATOM 74 HD12 ILE A 4 -9.891 0.720 0.741 1.00 0.00 H +ATOM 75 HD13 ILE A 4 -9.673 1.781 2.148 1.00 0.00 H +ATOM 76 N GLN A 5 -5.009 -0.575 -1.365 1.00 0.00 N +ATOM 77 CA GLN A 5 -4.335 -1.103 -2.553 1.00 0.00 C +ATOM 78 C GLN A 5 -2.863 -1.419 -2.249 1.00 0.00 C +ATOM 79 O GLN A 5 -2.395 -2.511 -2.553 1.00 0.00 O +ATOM 80 CB GLN A 5 -4.497 -0.107 -3.724 1.00 0.00 C +ATOM 81 CG GLN A 5 -4.929 -0.785 -5.036 1.00 0.00 C +ATOM 82 CD GLN A 5 -3.943 -1.843 -5.517 1.00 0.00 C +ATOM 83 OE1 GLN A 5 -4.193 -3.032 -5.373 1.00 0.00 O +ATOM 84 NE2 GLN A 5 -2.824 -1.457 -6.094 1.00 0.00 N +ATOM 85 H GLN A 5 -5.260 0.403 -1.368 1.00 0.00 H +ATOM 86 HA GLN A 5 -4.818 -2.043 -2.816 1.00 0.00 H +ATOM 87 HB2 GLN A 5 -5.239 0.620 -3.454 1.00 0.00 H +ATOM 88 HB3 GLN A 5 -3.566 0.435 -3.888 1.00 0.00 H +ATOM 89 HG2 GLN A 5 -5.882 -1.252 -4.881 1.00 0.00 H +ATOM 90 HG3 GLN A 5 -5.049 -0.026 -5.809 1.00 0.00 H +ATOM 91 HE21 GLN A 5 -2.586 -0.491 -6.238 1.00 0.00 H +ATOM 92 HE22 GLN A 5 -2.170 -2.206 -6.277 1.00 0.00 H +ATOM 93 N TRP A 6 -2.154 -0.497 -1.588 1.00 0.00 N +ATOM 94 CA TRP A 6 -0.771 -0.717 -1.152 1.00 0.00 C +ATOM 95 C TRP A 6 -0.632 -1.844 -0.111 1.00 0.00 C +ATOM 96 O TRP A 6 0.256 -2.687 -0.229 1.00 0.00 O +ATOM 97 CB TRP A 6 -0.212 0.604 -0.620 1.00 0.00 C +ATOM 98 CG TRP A 6 1.197 0.514 -0.129 1.00 0.00 C +ATOM 99 CD1 TRP A 6 2.296 0.452 -0.915 1.00 0.00 C +ATOM 100 CD2 TRP A 6 1.679 0.425 1.247 1.00 0.00 C +ATOM 101 NE1 TRP A 6 3.420 0.332 -0.121 1.00 0.00 N +ATOM 102 CE2 TRP A 6 3.101 0.324 1.215 1.00 0.00 C +ATOM 103 CE3 TRP A 6 1.066 0.422 2.519 1.00 0.00 C +ATOM 104 CZ2 TRP A 6 3.882 0.249 2.375 1.00 0.00 C +ATOM 105 CZ3 TRP A 6 1.839 0.334 3.694 1.00 0.00 C +ATOM 106 CH2 TRP A 6 3.243 0.260 3.625 1.00 0.00 C +ATOM 107 H TRP A 6 -2.607 0.391 -1.386 1.00 0.00 H +ATOM 108 HA TRP A 6 -0.178 -1.016 -2.020 1.00 0.00 H +ATOM 109 HB2 TRP A 6 -0.248 1.329 -1.411 1.00 0.00 H +ATOM 110 HB3 TRP A 6 -0.841 0.958 0.197 1.00 0.00 H +ATOM 111 HD1 TRP A 6 2.289 0.483 -1.998 1.00 0.00 H +ATOM 112 HE1 TRP A 6 4.387 0.296 -0.451 1.00 0.00 H +ATOM 113 HE3 TRP A 6 -0.010 0.498 2.586 1.00 0.00 H +ATOM 114 HZ2 TRP A 6 4.957 0.179 2.290 1.00 0.00 H +ATOM 115 HZ3 TRP A 6 1.352 0.341 4.659 1.00 0.00 H +ATOM 116 HH2 TRP A 6 3.829 0.212 4.531 1.00 0.00 H +ATOM 117 N LEU A 7 -1.520 -1.904 0.893 1.00 0.00 N +ATOM 118 CA LEU A 7 -1.537 -3.007 1.858 1.00 0.00 C +ATOM 119 C LEU A 7 -1.844 -4.359 1.198 1.00 0.00 C +ATOM 120 O LEU A 7 -1.228 -5.350 1.586 1.00 0.00 O +ATOM 121 CB LEU A 7 -2.520 -2.723 3.008 1.00 0.00 C +ATOM 122 CG LEU A 7 -2.010 -1.728 4.070 1.00 0.00 C +ATOM 123 CD1 LEU A 7 -3.122 -1.497 5.096 1.00 0.00 C +ATOM 124 CD2 LEU A 7 -0.775 -2.236 4.826 1.00 0.00 C +ATOM 125 H LEU A 7 -2.201 -1.155 0.992 1.00 0.00 H +ATOM 126 HA LEU A 7 -0.534 -3.107 2.271 1.00 0.00 H +ATOM 127 HB2 LEU A 7 -3.422 -2.325 2.584 1.00 0.00 H +ATOM 128 HB3 LEU A 7 -2.740 -3.665 3.514 1.00 0.00 H +ATOM 129 HG LEU A 7 -1.763 -0.780 3.597 1.00 0.00 H +ATOM 130 HD11 LEU A 7 -4.006 -1.098 4.599 1.00 0.00 H +ATOM 131 HD12 LEU A 7 -3.380 -2.437 5.585 1.00 0.00 H +ATOM 132 HD13 LEU A 7 -2.791 -0.787 5.854 1.00 0.00 H +ATOM 133 HD21 LEU A 7 -0.973 -3.222 5.249 1.00 0.00 H +ATOM 134 HD22 LEU A 7 0.080 -2.296 4.155 1.00 0.00 H +ATOM 135 HD23 LEU A 7 -0.521 -1.546 5.630 1.00 0.00 H +ATOM 136 N LYS A 8 -2.716 -4.413 0.176 1.00 0.00 N +ATOM 137 CA LYS A 8 -2.930 -5.631 -0.629 1.00 0.00 C +ATOM 138 C LYS A 8 -1.639 -6.169 -1.261 1.00 0.00 C +ATOM 139 O LYS A 8 -1.492 -7.384 -1.349 1.00 0.00 O +ATOM 140 CB LYS A 8 -3.989 -5.413 -1.725 1.00 0.00 C +ATOM 141 CG LYS A 8 -5.424 -5.638 -1.230 1.00 0.00 C +ATOM 142 CD LYS A 8 -6.411 -5.713 -2.404 1.00 0.00 C +ATOM 143 CE LYS A 8 -6.685 -4.341 -3.038 1.00 0.00 C +ATOM 144 NZ LYS A 8 -6.352 -4.311 -4.482 1.00 0.00 N +ATOM 145 H LYS A 8 -3.241 -3.572 -0.051 1.00 0.00 H +ATOM 146 HA LYS A 8 -3.274 -6.422 0.036 1.00 0.00 H +ATOM 147 HB2 LYS A 8 -3.906 -4.405 -2.084 1.00 0.00 H +ATOM 148 HB3 LYS A 8 -3.797 -6.130 -2.525 1.00 0.00 H +ATOM 149 HG2 LYS A 8 -5.464 -6.558 -0.680 1.00 0.00 H +ATOM 150 HG3 LYS A 8 -5.719 -4.846 -0.542 1.00 0.00 H +ATOM 151 HD2 LYS A 8 -6.003 -6.362 -3.154 1.00 0.00 H +ATOM 152 HD3 LYS A 8 -7.356 -6.108 -2.033 1.00 0.00 H +ATOM 153 HE2 LYS A 8 -7.726 -4.108 -2.919 1.00 0.00 H +ATOM 154 HE3 LYS A 8 -6.117 -3.577 -2.500 1.00 0.00 H +ATOM 155 HZ1 LYS A 8 -5.352 -4.135 -4.636 1.00 0.00 H +ATOM 156 HZ2 LYS A 8 -6.602 -5.176 -4.938 1.00 0.00 H +ATOM 157 HZ3 LYS A 8 -6.827 -3.549 -4.942 1.00 0.00 H +ATOM 158 N ASP A 9 -0.694 -5.301 -1.644 1.00 0.00 N +ATOM 159 CA ASP A 9 0.627 -5.715 -2.141 1.00 0.00 C +ATOM 160 C ASP A 9 1.545 -6.280 -1.027 1.00 0.00 C +ATOM 161 O ASP A 9 2.653 -6.733 -1.322 1.00 0.00 O +ATOM 162 CB ASP A 9 1.362 -4.545 -2.833 1.00 0.00 C +ATOM 163 CG ASP A 9 0.631 -3.826 -3.974 1.00 0.00 C +ATOM 164 OD1 ASP A 9 -0.157 -4.486 -4.688 1.00 0.00 O +ATOM 165 OD2 ASP A 9 0.959 -2.631 -4.185 1.00 0.00 O +ATOM 166 H ASP A 9 -0.905 -4.313 -1.586 1.00 0.00 H +ATOM 167 HA ASP A 9 0.482 -6.505 -2.880 1.00 0.00 H +ATOM 168 HB2 ASP A 9 1.582 -3.813 -2.080 1.00 0.00 H +ATOM 169 HB3 ASP A 9 2.279 -4.946 -3.266 1.00 0.00 H +ATOM 170 N GLY A 10 1.135 -6.232 0.250 1.00 0.00 N +ATOM 171 CA GLY A 10 1.917 -6.656 1.417 1.00 0.00 C +ATOM 172 C GLY A 10 2.414 -5.500 2.294 1.00 0.00 C +ATOM 173 O GLY A 10 3.054 -5.736 3.320 1.00 0.00 O +ATOM 174 H GLY A 10 0.200 -5.879 0.438 1.00 0.00 H +ATOM 175 HA2 GLY A 10 1.298 -7.304 2.035 1.00 0.00 H +ATOM 176 HA3 GLY A 10 2.784 -7.233 1.096 1.00 0.00 H +ATOM 177 N GLY A 11 2.142 -4.244 1.916 1.00 0.00 N +ATOM 178 CA GLY A 11 2.643 -3.083 2.643 1.00 0.00 C +ATOM 179 C GLY A 11 4.182 -3.056 2.660 1.00 0.00 C +ATOM 180 O GLY A 11 4.791 -3.197 1.594 1.00 0.00 O +ATOM 181 H GLY A 11 1.623 -4.089 1.059 1.00 0.00 H +ATOM 182 HA2 GLY A 11 2.286 -2.178 2.156 1.00 0.00 H +ATOM 183 HA3 GLY A 11 2.244 -3.115 3.654 1.00 0.00 H +ATOM 184 N PRO A 12 4.842 -2.900 3.832 1.00 0.00 N +ATOM 185 CA PRO A 12 6.302 -2.829 3.917 1.00 0.00 C +ATOM 186 C PRO A 12 7.030 -4.020 3.276 1.00 0.00 C +ATOM 187 O PRO A 12 8.132 -3.843 2.757 1.00 0.00 O +ATOM 188 CB PRO A 12 6.642 -2.717 5.411 1.00 0.00 C +ATOM 189 CG PRO A 12 5.352 -2.223 6.059 1.00 0.00 C +ATOM 190 CD PRO A 12 4.260 -2.809 5.166 1.00 0.00 C +ATOM 191 HA PRO A 12 6.628 -1.916 3.416 1.00 0.00 H +ATOM 192 HB2 PRO A 12 6.925 -3.673 5.809 1.00 0.00 H +ATOM 193 HB3 PRO A 12 7.463 -2.016 5.581 1.00 0.00 H +ATOM 194 HG2 PRO A 12 5.263 -2.588 7.064 1.00 0.00 H +ATOM 195 HG3 PRO A 12 5.314 -1.133 6.017 1.00 0.00 H +ATOM 196 HD2 PRO A 12 3.974 -3.782 5.516 1.00 0.00 H +ATOM 197 HD3 PRO A 12 3.381 -2.165 5.191 1.00 0.00 H +ATOM 198 N SER A 13 6.424 -5.220 3.257 1.00 0.00 N +ATOM 199 CA SER A 13 7.055 -6.413 2.675 1.00 0.00 C +ATOM 200 C SER A 13 7.230 -6.327 1.155 1.00 0.00 C +ATOM 201 O SER A 13 8.109 -6.992 0.615 1.00 0.00 O +ATOM 202 CB SER A 13 6.276 -7.683 3.042 1.00 0.00 C +ATOM 203 OG SER A 13 5.083 -7.810 2.296 1.00 0.00 O +ATOM 204 H SER A 13 5.479 -5.307 3.613 1.00 0.00 H +ATOM 205 HA SER A 13 8.051 -6.506 3.109 1.00 0.00 H +ATOM 206 HB2 SER A 13 6.897 -8.537 2.850 1.00 0.00 H +ATOM 207 HB3 SER A 13 6.031 -7.660 4.105 1.00 0.00 H +ATOM 208 HG SER A 13 5.284 -8.181 1.431 1.00 0.00 H +ATOM 209 N SER A 14 6.424 -5.506 0.464 1.00 0.00 N +ATOM 210 CA SER A 14 6.562 -5.254 -0.977 1.00 0.00 C +ATOM 211 C SER A 14 7.683 -4.260 -1.316 1.00 0.00 C +ATOM 212 O SER A 14 7.958 -4.028 -2.492 1.00 0.00 O +ATOM 213 CB SER A 14 5.232 -4.754 -1.561 1.00 0.00 C +ATOM 214 OG SER A 14 4.689 -5.759 -2.390 1.00 0.00 O +ATOM 215 H SER A 14 5.730 -4.974 0.980 1.00 0.00 H +ATOM 216 HA SER A 14 6.816 -6.193 -1.471 1.00 0.00 H +ATOM 217 HB2 SER A 14 4.548 -4.536 -0.764 1.00 0.00 H +ATOM 218 HB3 SER A 14 5.400 -3.866 -2.170 1.00 0.00 H +ATOM 219 HG SER A 14 3.898 -6.171 -1.941 1.00 0.00 H +ATOM 220 N GLY A 15 8.320 -3.632 -0.318 1.00 0.00 N +ATOM 221 CA GLY A 15 9.452 -2.715 -0.493 1.00 0.00 C +ATOM 222 C GLY A 15 9.088 -1.324 -1.031 1.00 0.00 C +ATOM 223 O GLY A 15 9.745 -0.349 -0.674 1.00 0.00 O +ATOM 224 H GLY A 15 8.043 -3.844 0.636 1.00 0.00 H +ATOM 225 HA2 GLY A 15 9.948 -2.591 0.468 1.00 0.00 H +ATOM 226 HA3 GLY A 15 10.165 -3.167 -1.183 1.00 0.00 H +ATOM 227 N ARG A 16 8.043 -1.206 -1.866 1.00 0.00 N +ATOM 228 CA ARG A 16 7.509 0.078 -2.349 1.00 0.00 C +ATOM 229 C ARG A 16 6.942 0.905 -1.177 1.00 0.00 C +ATOM 230 O ARG A 16 6.183 0.348 -0.380 1.00 0.00 O +ATOM 231 CB ARG A 16 6.426 -0.188 -3.413 1.00 0.00 C +ATOM 232 CG ARG A 16 5.953 1.107 -4.102 1.00 0.00 C +ATOM 233 CD ARG A 16 4.797 0.884 -5.083 1.00 0.00 C +ATOM 234 NE ARG A 16 5.176 -0.019 -6.186 1.00 0.00 N +ATOM 235 CZ ARG A 16 4.649 -1.200 -6.493 1.00 0.00 C +ATOM 236 NH1 ARG A 16 3.626 -1.720 -5.848 1.00 0.00 N +ATOM 237 NH2 ARG A 16 5.165 -1.891 -7.482 1.00 0.00 N +ATOM 238 H ARG A 16 7.615 -2.078 -2.159 1.00 0.00 H +ATOM 239 HA ARG A 16 8.337 0.615 -2.807 1.00 0.00 H +ATOM 240 HB2 ARG A 16 6.828 -0.848 -4.157 1.00 0.00 H +ATOM 241 HB3 ARG A 16 5.573 -0.680 -2.944 1.00 0.00 H +ATOM 242 HG2 ARG A 16 5.630 1.797 -3.346 1.00 0.00 H +ATOM 243 HG3 ARG A 16 6.793 1.555 -4.637 1.00 0.00 H +ATOM 244 HD2 ARG A 16 3.970 0.454 -4.552 1.00 0.00 H +ATOM 245 HD3 ARG A 16 4.515 1.851 -5.503 1.00 0.00 H +ATOM 246 HE ARG A 16 5.943 0.289 -6.761 1.00 0.00 H +ATOM 247 HH11 ARG A 16 3.180 -1.223 -5.093 1.00 0.00 H +ATOM 248 HH12 ARG A 16 3.231 -2.612 -6.088 1.00 0.00 H +ATOM 249 HH21 ARG A 16 5.951 -1.541 -8.001 1.00 0.00 H +ATOM 250 HH22 ARG A 16 4.778 -2.789 -7.706 1.00 0.00 H +ATOM 251 N PRO A 17 7.224 2.222 -1.082 1.00 0.00 N +ATOM 252 CA PRO A 17 6.670 3.081 -0.030 1.00 0.00 C +ATOM 253 C PRO A 17 5.138 3.240 -0.131 1.00 0.00 C +ATOM 254 O PRO A 17 4.571 3.021 -1.206 1.00 0.00 O +ATOM 255 CB PRO A 17 7.384 4.430 -0.195 1.00 0.00 C +ATOM 256 CG PRO A 17 7.755 4.460 -1.675 1.00 0.00 C +ATOM 257 CD PRO A 17 8.084 2.998 -1.964 1.00 0.00 C +ATOM 258 HA PRO A 17 6.923 2.656 0.942 1.00 0.00 H +ATOM 259 HB2 PRO A 17 6.729 5.243 0.053 1.00 0.00 H +ATOM 260 HB3 PRO A 17 8.293 4.437 0.408 1.00 0.00 H +ATOM 261 HG2 PRO A 17 6.932 4.798 -2.274 1.00 0.00 H +ATOM 262 HG3 PRO A 17 8.607 5.114 -1.870 1.00 0.00 H +ATOM 263 HD2 PRO A 17 7.877 2.763 -2.990 1.00 0.00 H +ATOM 264 HD3 PRO A 17 9.127 2.798 -1.720 1.00 0.00 H +ATOM 265 N PRO A 18 4.461 3.639 0.965 1.00 0.00 N +ATOM 266 CA PRO A 18 3.015 3.863 0.981 1.00 0.00 C +ATOM 267 C PRO A 18 2.598 5.121 0.193 1.00 0.00 C +ATOM 268 O PRO A 18 3.428 5.993 -0.068 1.00 0.00 O +ATOM 269 CB PRO A 18 2.645 3.981 2.465 1.00 0.00 C +ATOM 270 CG PRO A 18 3.916 4.525 3.112 1.00 0.00 C +ATOM 271 CD PRO A 18 5.026 3.878 2.287 1.00 0.00 C +ATOM 272 HA PRO A 18 2.518 2.995 0.551 1.00 0.00 H +ATOM 273 HB2 PRO A 18 1.825 4.659 2.602 1.00 0.00 H +ATOM 274 HB3 PRO A 18 2.430 2.993 2.869 1.00 0.00 H +ATOM 275 HG2 PRO A 18 3.957 5.595 3.042 1.00 0.00 H +ATOM 276 HG3 PRO A 18 3.983 4.249 4.165 1.00 0.00 H +ATOM 277 HD2 PRO A 18 5.870 4.536 2.218 1.00 0.00 H +ATOM 278 HD3 PRO A 18 5.309 2.925 2.736 1.00 0.00 H +ATOM 279 N PRO A 19 1.304 5.247 -0.167 1.00 0.00 N +ATOM 280 CA PRO A 19 0.774 6.401 -0.902 1.00 0.00 C +ATOM 281 C PRO A 19 0.569 7.659 -0.043 1.00 0.00 C +ATOM 282 O PRO A 19 0.515 8.755 -0.597 1.00 0.00 O +ATOM 283 CB PRO A 19 -0.568 5.927 -1.467 1.00 0.00 C +ATOM 284 CG PRO A 19 -1.027 4.877 -0.459 1.00 0.00 C +ATOM 285 CD PRO A 19 0.279 4.224 -0.018 1.00 0.00 C +ATOM 286 HA PRO A 19 1.443 6.655 -1.727 1.00 0.00 H +ATOM 287 HB2 PRO A 19 -1.269 6.738 -1.523 1.00 0.00 H +ATOM 288 HB3 PRO A 19 -0.411 5.458 -2.438 1.00 0.00 H +ATOM 289 HG2 PRO A 19 -1.528 5.334 0.372 1.00 0.00 H +ATOM 290 HG3 PRO A 19 -1.691 4.148 -0.918 1.00 0.00 H +ATOM 291 HD2 PRO A 19 0.212 3.908 1.005 1.00 0.00 H +ATOM 292 HD3 PRO A 19 0.512 3.395 -0.684 1.00 0.00 H +ATOM 293 N SER A 20 0.445 7.509 1.283 1.00 0.00 N +ATOM 294 CA SER A 20 0.349 8.586 2.279 1.00 0.00 C +ATOM 295 C SER A 20 1.387 8.402 3.380 1.00 0.00 C +ATOM 296 O SER A 20 1.887 9.446 3.847 1.00 0.00 O +ATOM 297 CB SER A 20 -1.064 8.699 2.867 1.00 0.00 C +ATOM 298 OG SER A 20 -1.468 7.515 3.527 1.00 0.00 O +ATOM 299 OXT SER A 20 1.609 7.229 3.761 1.00 0.00 O +ATOM 300 H SER A 20 0.533 6.584 1.677 1.00 0.00 H +ATOM 301 HA SER A 20 0.581 9.535 1.797 1.00 0.00 H +ATOM 302 HB2 SER A 20 -1.081 9.509 3.570 1.00 0.00 H +ATOM 303 HB3 SER A 20 -1.771 8.923 2.068 1.00 0.00 H +ATOM 304 HG SER A 20 -0.877 7.386 4.279 1.00 0.00 H +TER 305 SER A 20 +ENDMDL +MODEL 4 +ATOM 1 N ASN A 1 -7.996 5.298 -0.779 1.00 0.00 N +ATOM 2 CA ASN A 1 -7.990 4.067 -1.611 1.00 0.00 C +ATOM 3 C ASN A 1 -6.595 3.515 -1.890 1.00 0.00 C +ATOM 4 O ASN A 1 -6.409 2.326 -1.667 1.00 0.00 O +ATOM 5 CB ASN A 1 -8.817 4.236 -2.891 1.00 0.00 C +ATOM 6 CG ASN A 1 -10.260 4.485 -2.482 1.00 0.00 C +ATOM 7 OD1 ASN A 1 -10.595 5.590 -2.090 1.00 0.00 O +ATOM 8 ND2 ASN A 1 -11.097 3.465 -2.420 1.00 0.00 N +ATOM 9 H1 ASN A 1 -7.499 5.145 0.089 1.00 0.00 H +ATOM 10 H2 ASN A 1 -7.580 6.071 -1.279 1.00 0.00 H +ATOM 11 H3 ASN A 1 -8.957 5.549 -0.571 1.00 0.00 H +ATOM 12 HA ASN A 1 -8.483 3.285 -1.032 1.00 0.00 H +ATOM 13 HB2 ASN A 1 -8.449 5.070 -3.456 1.00 0.00 H +ATOM 14 HB3 ASN A 1 -8.756 3.334 -3.502 1.00 0.00 H +ATOM 15 HD21 ASN A 1 -10.855 2.524 -2.688 1.00 0.00 H +ATOM 16 HD22 ASN A 1 -12.028 3.700 -2.110 1.00 0.00 H +ATOM 17 N LEU A 2 -5.616 4.322 -2.330 1.00 0.00 N +ATOM 18 CA LEU A 2 -4.255 3.853 -2.649 1.00 0.00 C +ATOM 19 C LEU A 2 -3.609 2.984 -1.550 1.00 0.00 C +ATOM 20 O LEU A 2 -2.969 1.976 -1.846 1.00 0.00 O +ATOM 21 CB LEU A 2 -3.364 5.074 -2.976 1.00 0.00 C +ATOM 22 CG LEU A 2 -3.035 5.287 -4.464 1.00 0.00 C +ATOM 23 CD1 LEU A 2 -2.298 4.086 -5.067 1.00 0.00 C +ATOM 24 CD2 LEU A 2 -4.283 5.609 -5.288 1.00 0.00 C +ATOM 25 H LEU A 2 -5.808 5.284 -2.567 1.00 0.00 H +ATOM 26 HA LEU A 2 -4.324 3.212 -3.525 1.00 0.00 H +ATOM 27 HB2 LEU A 2 -3.868 5.953 -2.622 1.00 0.00 H +ATOM 28 HB3 LEU A 2 -2.413 4.965 -2.461 1.00 0.00 H +ATOM 29 HG LEU A 2 -2.366 6.146 -4.524 1.00 0.00 H +ATOM 30 HD11 LEU A 2 -1.513 3.750 -4.388 1.00 0.00 H +ATOM 31 HD12 LEU A 2 -2.985 3.262 -5.255 1.00 0.00 H +ATOM 32 HD13 LEU A 2 -1.840 4.380 -6.010 1.00 0.00 H +ATOM 33 HD21 LEU A 2 -4.988 4.779 -5.260 1.00 0.00 H +ATOM 34 HD22 LEU A 2 -4.758 6.509 -4.897 1.00 0.00 H +ATOM 35 HD23 LEU A 2 -3.993 5.793 -6.323 1.00 0.00 H +ATOM 36 N TYR A 3 -3.829 3.342 -0.280 1.00 0.00 N +ATOM 37 CA TYR A 3 -3.352 2.587 0.881 1.00 0.00 C +ATOM 38 C TYR A 3 -3.885 1.142 0.933 1.00 0.00 C +ATOM 39 O TYR A 3 -3.182 0.255 1.410 1.00 0.00 O +ATOM 40 CB TYR A 3 -3.714 3.350 2.166 1.00 0.00 C +ATOM 41 CG TYR A 3 -2.571 3.426 3.153 1.00 0.00 C +ATOM 42 CD1 TYR A 3 -2.238 2.307 3.939 1.00 0.00 C +ATOM 43 CD2 TYR A 3 -1.826 4.614 3.277 1.00 0.00 C +ATOM 44 CE1 TYR A 3 -1.172 2.377 4.854 1.00 0.00 C +ATOM 45 CE2 TYR A 3 -0.758 4.692 4.190 1.00 0.00 C +ATOM 46 CZ TYR A 3 -0.434 3.573 4.988 1.00 0.00 C +ATOM 47 OH TYR A 3 0.564 3.651 5.909 1.00 0.00 O +ATOM 48 H TYR A 3 -4.312 4.211 -0.115 1.00 0.00 H +ATOM 49 HA TYR A 3 -2.266 2.531 0.815 1.00 0.00 H +ATOM 50 HB2 TYR A 3 -4.003 4.349 1.900 1.00 0.00 H +ATOM 51 HB3 TYR A 3 -4.571 2.877 2.649 1.00 0.00 H +ATOM 52 HD1 TYR A 3 -2.810 1.398 3.838 1.00 0.00 H +ATOM 53 HD2 TYR A 3 -2.070 5.479 2.676 1.00 0.00 H +ATOM 54 HE1 TYR A 3 -0.916 1.531 5.472 1.00 0.00 H +ATOM 55 HE2 TYR A 3 -0.198 5.613 4.266 1.00 0.00 H +ATOM 56 HH TYR A 3 0.792 4.562 6.104 1.00 0.00 H +ATOM 57 N ILE A 4 -5.099 0.891 0.414 1.00 0.00 N +ATOM 58 CA ILE A 4 -5.705 -0.444 0.348 1.00 0.00 C +ATOM 59 C ILE A 4 -4.882 -1.332 -0.589 1.00 0.00 C +ATOM 60 O ILE A 4 -4.466 -2.411 -0.181 1.00 0.00 O +ATOM 61 CB ILE A 4 -7.191 -0.380 -0.086 1.00 0.00 C +ATOM 62 CG1 ILE A 4 -8.038 0.622 0.737 1.00 0.00 C +ATOM 63 CG2 ILE A 4 -7.836 -1.778 -0.048 1.00 0.00 C +ATOM 64 CD1 ILE A 4 -8.051 0.390 2.254 1.00 0.00 C +ATOM 65 H ILE A 4 -5.574 1.642 -0.074 1.00 0.00 H +ATOM 66 HA ILE A 4 -5.657 -0.892 1.341 1.00 0.00 H +ATOM 67 HB ILE A 4 -7.230 -0.049 -1.125 1.00 0.00 H +ATOM 68 HG12 ILE A 4 -7.652 1.607 0.557 1.00 0.00 H +ATOM 69 HG13 ILE A 4 -9.066 0.590 0.375 1.00 0.00 H +ATOM 70 HG21 ILE A 4 -7.351 -2.438 -0.767 1.00 0.00 H +ATOM 71 HG22 ILE A 4 -7.744 -2.214 0.948 1.00 0.00 H +ATOM 72 HG23 ILE A 4 -8.891 -1.708 -0.312 1.00 0.00 H +ATOM 73 HD11 ILE A 4 -8.463 -0.592 2.485 1.00 0.00 H +ATOM 74 HD12 ILE A 4 -7.043 0.470 2.659 1.00 0.00 H +ATOM 75 HD13 ILE A 4 -8.674 1.150 2.725 1.00 0.00 H +ATOM 76 N GLN A 5 -4.600 -0.857 -1.811 1.00 0.00 N +ATOM 77 CA GLN A 5 -3.712 -1.519 -2.775 1.00 0.00 C +ATOM 78 C GLN A 5 -2.314 -1.759 -2.183 1.00 0.00 C +ATOM 79 O GLN A 5 -1.803 -2.878 -2.255 1.00 0.00 O +ATOM 80 CB GLN A 5 -3.634 -0.674 -4.062 1.00 0.00 C +ATOM 81 CG GLN A 5 -4.792 -0.953 -5.031 1.00 0.00 C +ATOM 82 CD GLN A 5 -4.542 -2.214 -5.853 1.00 0.00 C +ATOM 83 OE1 GLN A 5 -4.848 -3.320 -5.436 1.00 0.00 O +ATOM 84 NE2 GLN A 5 -3.968 -2.093 -7.036 1.00 0.00 N +ATOM 85 H GLN A 5 -4.948 0.063 -2.038 1.00 0.00 H +ATOM 86 HA GLN A 5 -4.122 -2.500 -3.019 1.00 0.00 H +ATOM 87 HB2 GLN A 5 -3.656 0.364 -3.792 1.00 0.00 H +ATOM 88 HB3 GLN A 5 -2.694 -0.880 -4.579 1.00 0.00 H +ATOM 89 HG2 GLN A 5 -5.696 -1.078 -4.467 1.00 0.00 H +ATOM 90 HG3 GLN A 5 -4.898 -0.106 -5.710 1.00 0.00 H +ATOM 91 HE21 GLN A 5 -3.693 -1.205 -7.419 1.00 0.00 H +ATOM 92 HE22 GLN A 5 -3.810 -2.965 -7.512 1.00 0.00 H +ATOM 93 N TRP A 6 -1.713 -0.734 -1.561 1.00 0.00 N +ATOM 94 CA TRP A 6 -0.400 -0.841 -0.917 1.00 0.00 C +ATOM 95 C TRP A 6 -0.353 -1.931 0.171 1.00 0.00 C +ATOM 96 O TRP A 6 0.567 -2.757 0.175 1.00 0.00 O +ATOM 97 CB TRP A 6 0.005 0.531 -0.361 1.00 0.00 C +ATOM 98 CG TRP A 6 1.372 0.565 0.247 1.00 0.00 C +ATOM 99 CD1 TRP A 6 2.532 0.625 -0.442 1.00 0.00 C +ATOM 100 CD2 TRP A 6 1.747 0.483 1.657 1.00 0.00 C +ATOM 101 NE1 TRP A 6 3.594 0.565 0.438 1.00 0.00 N +ATOM 102 CE2 TRP A 6 3.169 0.480 1.743 1.00 0.00 C +ATOM 103 CE3 TRP A 6 1.032 0.393 2.872 1.00 0.00 C +ATOM 104 CZ2 TRP A 6 3.853 0.395 2.965 1.00 0.00 C +ATOM 105 CZ3 TRP A 6 1.707 0.293 4.104 1.00 0.00 C +ATOM 106 CH2 TRP A 6 3.112 0.296 4.154 1.00 0.00 C +ATOM 107 H TRP A 6 -2.186 0.167 -1.566 1.00 0.00 H +ATOM 108 HA TRP A 6 0.329 -1.126 -1.676 1.00 0.00 H +ATOM 109 HB2 TRP A 6 -0.024 1.242 -1.164 1.00 0.00 H +ATOM 110 HB3 TRP A 6 -0.716 0.838 0.395 1.00 0.00 H +ATOM 111 HD1 TRP A 6 2.616 0.684 -1.518 1.00 0.00 H +ATOM 112 HE1 TRP A 6 4.579 0.565 0.164 1.00 0.00 H +ATOM 113 HE3 TRP A 6 -0.046 0.398 2.841 1.00 0.00 H +ATOM 114 HZ2 TRP A 6 4.933 0.389 2.975 1.00 0.00 H +ATOM 115 HZ3 TRP A 6 1.142 0.218 5.022 1.00 0.00 H +ATOM 116 HH2 TRP A 6 3.621 0.223 5.106 1.00 0.00 H +ATOM 117 N LEU A 7 -1.360 -1.961 1.060 1.00 0.00 N +ATOM 118 CA LEU A 7 -1.529 -3.019 2.059 1.00 0.00 C +ATOM 119 C LEU A 7 -1.819 -4.386 1.425 1.00 0.00 C +ATOM 120 O LEU A 7 -1.263 -5.376 1.896 1.00 0.00 O +ATOM 121 CB LEU A 7 -2.645 -2.652 3.058 1.00 0.00 C +ATOM 122 CG LEU A 7 -2.265 -1.546 4.060 1.00 0.00 C +ATOM 123 CD1 LEU A 7 -3.504 -1.129 4.860 1.00 0.00 C +ATOM 124 CD2 LEU A 7 -1.186 -1.989 5.054 1.00 0.00 C +ATOM 125 H LEU A 7 -2.062 -1.224 1.020 1.00 0.00 H +ATOM 126 HA LEU A 7 -0.594 -3.131 2.603 1.00 0.00 H +ATOM 127 HB2 LEU A 7 -3.499 -2.320 2.500 1.00 0.00 H +ATOM 128 HB3 LEU A 7 -2.915 -3.543 3.627 1.00 0.00 H +ATOM 129 HG LEU A 7 -1.898 -0.680 3.518 1.00 0.00 H +ATOM 130 HD11 LEU A 7 -4.273 -0.762 4.181 1.00 0.00 H +ATOM 131 HD12 LEU A 7 -3.892 -1.977 5.422 1.00 0.00 H +ATOM 132 HD13 LEU A 7 -3.243 -0.331 5.557 1.00 0.00 H +ATOM 133 HD21 LEU A 7 -1.516 -2.875 5.597 1.00 0.00 H +ATOM 134 HD22 LEU A 7 -0.258 -2.212 4.531 1.00 0.00 H +ATOM 135 HD23 LEU A 7 -0.990 -1.188 5.767 1.00 0.00 H +ATOM 136 N LYS A 8 -2.636 -4.457 0.360 1.00 0.00 N +ATOM 137 CA LYS A 8 -3.000 -5.710 -0.323 1.00 0.00 C +ATOM 138 C LYS A 8 -1.774 -6.506 -0.772 1.00 0.00 C +ATOM 139 O LYS A 8 -1.764 -7.728 -0.650 1.00 0.00 O +ATOM 140 CB LYS A 8 -3.907 -5.437 -1.541 1.00 0.00 C +ATOM 141 CG LYS A 8 -4.842 -6.624 -1.830 1.00 0.00 C +ATOM 142 CD LYS A 8 -6.265 -6.337 -1.328 1.00 0.00 C +ATOM 143 CE LYS A 8 -7.114 -7.612 -1.287 1.00 0.00 C +ATOM 144 NZ LYS A 8 -6.875 -8.381 -0.042 1.00 0.00 N +ATOM 145 H LYS A 8 -3.089 -3.595 0.056 1.00 0.00 H +ATOM 146 HA LYS A 8 -3.534 -6.330 0.396 1.00 0.00 H +ATOM 147 HB2 LYS A 8 -4.501 -4.566 -1.344 1.00 0.00 H +ATOM 148 HB3 LYS A 8 -3.287 -5.248 -2.418 1.00 0.00 H +ATOM 149 HG2 LYS A 8 -4.871 -6.798 -2.888 1.00 0.00 H +ATOM 150 HG3 LYS A 8 -4.454 -7.529 -1.364 1.00 0.00 H +ATOM 151 HD2 LYS A 8 -6.209 -5.923 -0.340 1.00 0.00 H +ATOM 152 HD3 LYS A 8 -6.730 -5.625 -2.013 1.00 0.00 H +ATOM 153 HE2 LYS A 8 -8.151 -7.343 -1.337 1.00 0.00 H +ATOM 154 HE3 LYS A 8 -6.877 -8.220 -2.164 1.00 0.00 H +ATOM 155 HZ1 LYS A 8 -5.889 -8.591 0.053 1.00 0.00 H +ATOM 156 HZ2 LYS A 8 -7.168 -7.840 0.762 1.00 0.00 H +ATOM 157 HZ3 LYS A 8 -7.394 -9.248 -0.055 1.00 0.00 H +ATOM 158 N ASP A 9 -0.756 -5.802 -1.272 1.00 0.00 N +ATOM 159 CA ASP A 9 0.519 -6.369 -1.719 1.00 0.00 C +ATOM 160 C ASP A 9 1.466 -6.750 -0.552 1.00 0.00 C +ATOM 161 O ASP A 9 2.432 -7.481 -0.764 1.00 0.00 O +ATOM 162 CB ASP A 9 1.147 -5.356 -2.691 1.00 0.00 C +ATOM 163 CG ASP A 9 2.157 -5.999 -3.643 1.00 0.00 C +ATOM 164 OD1 ASP A 9 1.687 -6.708 -4.559 1.00 0.00 O +ATOM 165 OD2 ASP A 9 3.367 -5.733 -3.478 1.00 0.00 O +ATOM 166 H ASP A 9 -0.906 -4.806 -1.394 1.00 0.00 H +ATOM 167 HA ASP A 9 0.309 -7.281 -2.280 1.00 0.00 H +ATOM 168 HB2 ASP A 9 0.365 -4.908 -3.272 1.00 0.00 H +ATOM 169 HB3 ASP A 9 1.602 -4.539 -2.136 1.00 0.00 H +ATOM 170 N GLY A 10 1.166 -6.322 0.686 1.00 0.00 N +ATOM 171 CA GLY A 10 1.940 -6.628 1.899 1.00 0.00 C +ATOM 172 C GLY A 10 2.455 -5.411 2.687 1.00 0.00 C +ATOM 173 O GLY A 10 3.258 -5.576 3.605 1.00 0.00 O +ATOM 174 H GLY A 10 0.283 -5.838 0.808 1.00 0.00 H +ATOM 175 HA2 GLY A 10 1.308 -7.208 2.569 1.00 0.00 H +ATOM 176 HA3 GLY A 10 2.799 -7.243 1.641 1.00 0.00 H +ATOM 177 N GLY A 11 2.025 -4.190 2.349 1.00 0.00 N +ATOM 178 CA GLY A 11 2.501 -2.933 2.929 1.00 0.00 C +ATOM 179 C GLY A 11 4.035 -2.809 2.947 1.00 0.00 C +ATOM 180 O GLY A 11 4.636 -2.640 1.883 1.00 0.00 O +ATOM 181 H GLY A 11 1.426 -4.116 1.535 1.00 0.00 H +ATOM 182 HA2 GLY A 11 2.113 -2.118 2.323 1.00 0.00 H +ATOM 183 HA3 GLY A 11 2.088 -2.828 3.930 1.00 0.00 H +ATOM 184 N PRO A 12 4.714 -2.887 4.112 1.00 0.00 N +ATOM 185 CA PRO A 12 6.177 -2.830 4.177 1.00 0.00 C +ATOM 186 C PRO A 12 6.894 -3.885 3.322 1.00 0.00 C +ATOM 187 O PRO A 12 8.009 -3.632 2.870 1.00 0.00 O +ATOM 188 CB PRO A 12 6.543 -2.996 5.656 1.00 0.00 C +ATOM 189 CG PRO A 12 5.275 -2.581 6.397 1.00 0.00 C +ATOM 190 CD PRO A 12 4.158 -3.015 5.451 1.00 0.00 C +ATOM 191 HA PRO A 12 6.493 -1.842 3.843 1.00 0.00 H +ATOM 192 HB2 PRO A 12 6.796 -4.015 5.874 1.00 0.00 H +ATOM 193 HB3 PRO A 12 7.390 -2.365 5.930 1.00 0.00 H +ATOM 194 HG2 PRO A 12 5.198 -3.086 7.340 1.00 0.00 H +ATOM 195 HG3 PRO A 12 5.255 -1.495 6.510 1.00 0.00 H +ATOM 196 HD2 PRO A 12 3.876 -4.032 5.645 1.00 0.00 H +ATOM 197 HD3 PRO A 12 3.286 -2.377 5.597 1.00 0.00 H +ATOM 198 N SER A 13 6.272 -5.048 3.067 1.00 0.00 N +ATOM 199 CA SER A 13 6.859 -6.106 2.234 1.00 0.00 C +ATOM 200 C SER A 13 6.522 -5.983 0.737 1.00 0.00 C +ATOM 201 O SER A 13 6.868 -6.883 -0.022 1.00 0.00 O +ATOM 202 CB SER A 13 6.517 -7.490 2.809 1.00 0.00 C +ATOM 203 OG SER A 13 5.152 -7.809 2.665 1.00 0.00 O +ATOM 204 H SER A 13 5.336 -5.211 3.432 1.00 0.00 H +ATOM 205 HA SER A 13 7.945 -6.021 2.301 1.00 0.00 H +ATOM 206 HB2 SER A 13 7.100 -8.230 2.296 1.00 0.00 H +ATOM 207 HB3 SER A 13 6.776 -7.504 3.869 1.00 0.00 H +ATOM 208 HG SER A 13 4.960 -7.945 1.731 1.00 0.00 H +ATOM 209 N SER A 14 5.879 -4.888 0.300 1.00 0.00 N +ATOM 210 CA SER A 14 5.483 -4.641 -1.100 1.00 0.00 C +ATOM 211 C SER A 14 6.594 -4.035 -1.979 1.00 0.00 C +ATOM 212 O SER A 14 6.388 -3.818 -3.171 1.00 0.00 O +ATOM 213 CB SER A 14 4.291 -3.674 -1.143 1.00 0.00 C +ATOM 214 OG SER A 14 3.244 -4.095 -0.294 1.00 0.00 O +ATOM 215 H SER A 14 5.551 -4.209 0.982 1.00 0.00 H +ATOM 216 HA SER A 14 5.168 -5.582 -1.554 1.00 0.00 H +ATOM 217 HB2 SER A 14 4.621 -2.702 -0.832 1.00 0.00 H +ATOM 218 HB3 SER A 14 3.920 -3.612 -2.167 1.00 0.00 H +ATOM 219 HG SER A 14 2.497 -3.486 -0.373 1.00 0.00 H +ATOM 220 N GLY A 15 7.760 -3.685 -1.413 1.00 0.00 N +ATOM 221 CA GLY A 15 8.865 -3.074 -2.168 1.00 0.00 C +ATOM 222 C GLY A 15 8.636 -1.615 -2.597 1.00 0.00 C +ATOM 223 O GLY A 15 9.329 -1.131 -3.490 1.00 0.00 O +ATOM 224 H GLY A 15 7.882 -3.900 -0.435 1.00 0.00 H +ATOM 225 HA2 GLY A 15 9.772 -3.108 -1.566 1.00 0.00 H +ATOM 226 HA3 GLY A 15 9.044 -3.662 -3.070 1.00 0.00 H +ATOM 227 N ARG A 16 7.674 -0.910 -1.982 1.00 0.00 N +ATOM 228 CA ARG A 16 7.291 0.476 -2.303 1.00 0.00 C +ATOM 229 C ARG A 16 6.926 1.243 -1.019 1.00 0.00 C +ATOM 230 O ARG A 16 6.299 0.641 -0.143 1.00 0.00 O +ATOM 231 CB ARG A 16 6.095 0.409 -3.275 1.00 0.00 C +ATOM 232 CG ARG A 16 5.718 1.773 -3.872 1.00 0.00 C +ATOM 233 CD ARG A 16 4.496 1.668 -4.787 1.00 0.00 C +ATOM 234 NE ARG A 16 4.170 2.979 -5.381 1.00 0.00 N +ATOM 235 CZ ARG A 16 4.620 3.482 -6.525 1.00 0.00 C +ATOM 236 NH1 ARG A 16 5.433 2.811 -7.310 1.00 0.00 N +ATOM 237 NH2 ARG A 16 4.260 4.687 -6.902 1.00 0.00 N +ATOM 238 H ARG A 16 7.165 -1.374 -1.242 1.00 0.00 H +ATOM 239 HA ARG A 16 8.134 0.962 -2.796 1.00 0.00 H +ATOM 240 HB2 ARG A 16 6.346 -0.256 -4.078 1.00 0.00 H +ATOM 241 HB3 ARG A 16 5.232 -0.006 -2.753 1.00 0.00 H +ATOM 242 HG2 ARG A 16 5.497 2.454 -3.073 1.00 0.00 H +ATOM 243 HG3 ARG A 16 6.563 2.153 -4.447 1.00 0.00 H +ATOM 244 HD2 ARG A 16 4.704 0.968 -5.573 1.00 0.00 H +ATOM 245 HD3 ARG A 16 3.644 1.325 -4.197 1.00 0.00 H +ATOM 246 HE ARG A 16 3.562 3.570 -4.839 1.00 0.00 H +ATOM 247 HH11 ARG A 16 5.714 1.890 -7.023 1.00 0.00 H +ATOM 248 HH12 ARG A 16 5.768 3.197 -8.173 1.00 0.00 H +ATOM 249 HH21 ARG A 16 3.648 5.240 -6.327 1.00 0.00 H +ATOM 250 HH22 ARG A 16 4.602 5.065 -7.766 1.00 0.00 H +ATOM 251 N PRO A 17 7.244 2.550 -0.887 1.00 0.00 N +ATOM 252 CA PRO A 17 6.834 3.351 0.272 1.00 0.00 C +ATOM 253 C PRO A 17 5.302 3.529 0.364 1.00 0.00 C +ATOM 254 O PRO A 17 4.613 3.423 -0.657 1.00 0.00 O +ATOM 255 CB PRO A 17 7.546 4.701 0.109 1.00 0.00 C +ATOM 256 CG PRO A 17 7.773 4.807 -1.398 1.00 0.00 C +ATOM 257 CD PRO A 17 8.043 3.359 -1.797 1.00 0.00 C +ATOM 258 HA PRO A 17 7.191 2.864 1.180 1.00 0.00 H +ATOM 259 HB2 PRO A 17 6.929 5.505 0.461 1.00 0.00 H +ATOM 260 HB3 PRO A 17 8.509 4.667 0.619 1.00 0.00 H +ATOM 261 HG2 PRO A 17 6.902 5.190 -1.895 1.00 0.00 H +ATOM 262 HG3 PRO A 17 8.614 5.459 -1.638 1.00 0.00 H +ATOM 263 HD2 PRO A 17 7.743 3.188 -2.813 1.00 0.00 H +ATOM 264 HD3 PRO A 17 9.099 3.130 -1.650 1.00 0.00 H +ATOM 265 N PRO A 18 4.761 3.830 1.562 1.00 0.00 N +ATOM 266 CA PRO A 18 3.330 4.041 1.763 1.00 0.00 C +ATOM 267 C PRO A 18 2.857 5.363 1.124 1.00 0.00 C +ATOM 268 O PRO A 18 3.561 6.372 1.215 1.00 0.00 O +ATOM 269 CB PRO A 18 3.122 4.052 3.280 1.00 0.00 C +ATOM 270 CG PRO A 18 4.467 4.528 3.826 1.00 0.00 C +ATOM 271 CD PRO A 18 5.475 3.963 2.826 1.00 0.00 C +ATOM 272 HA PRO A 18 2.789 3.199 1.338 1.00 0.00 H +ATOM 273 HB2 PRO A 18 2.336 4.730 3.554 1.00 0.00 H +ATOM 274 HB3 PRO A 18 2.928 3.039 3.629 1.00 0.00 H +ATOM 275 HG2 PRO A 18 4.513 5.600 3.853 1.00 0.00 H +ATOM 276 HG3 PRO A 18 4.649 4.156 4.834 1.00 0.00 H +ATOM 277 HD2 PRO A 18 6.306 4.633 2.716 1.00 0.00 H +ATOM 278 HD3 PRO A 18 5.808 2.979 3.157 1.00 0.00 H +ATOM 279 N PRO A 19 1.664 5.391 0.501 1.00 0.00 N +ATOM 280 CA PRO A 19 1.089 6.605 -0.071 1.00 0.00 C +ATOM 281 C PRO A 19 0.480 7.494 1.027 1.00 0.00 C +ATOM 282 O PRO A 19 -0.248 6.998 1.889 1.00 0.00 O +ATOM 283 CB PRO A 19 0.030 6.099 -1.056 1.00 0.00 C +ATOM 284 CG PRO A 19 -0.452 4.787 -0.431 1.00 0.00 C +ATOM 285 CD PRO A 19 0.776 4.254 0.301 1.00 0.00 C +ATOM 286 HA PRO A 19 1.850 7.167 -0.612 1.00 0.00 H +ATOM 287 HB2 PRO A 19 -0.777 6.800 -1.143 1.00 0.00 H +ATOM 288 HB3 PRO A 19 0.507 5.887 -2.015 1.00 0.00 H +ATOM 289 HG2 PRO A 19 -1.258 4.965 0.255 1.00 0.00 H +ATOM 290 HG3 PRO A 19 -0.783 4.076 -1.188 1.00 0.00 H +ATOM 291 HD2 PRO A 19 0.491 3.835 1.247 1.00 0.00 H +ATOM 292 HD3 PRO A 19 1.276 3.508 -0.318 1.00 0.00 H +ATOM 293 N SER A 20 0.773 8.801 0.994 1.00 0.00 N +ATOM 294 CA SER A 20 0.156 9.787 1.896 1.00 0.00 C +ATOM 295 C SER A 20 -1.215 10.283 1.430 1.00 0.00 C +ATOM 296 O SER A 20 -1.579 10.082 0.257 1.00 0.00 O +ATOM 297 CB SER A 20 1.058 11.002 2.110 1.00 0.00 C +ATOM 298 OG SER A 20 0.393 11.759 3.099 1.00 0.00 O +ATOM 299 OXT SER A 20 -1.809 10.968 2.306 1.00 0.00 O +ATOM 300 H SER A 20 1.346 9.144 0.240 1.00 0.00 H +ATOM 301 HA SER A 20 -0.001 9.315 2.867 1.00 0.00 H +ATOM 302 HB2 SER A 20 2.029 10.699 2.452 1.00 0.00 H +ATOM 303 HB3 SER A 20 1.131 11.580 1.186 1.00 0.00 H +ATOM 304 HG SER A 20 -0.584 11.562 2.923 1.00 0.00 H +TER 305 SER A 20 +ENDMDL +MODEL 5 +ATOM 1 N ASN A 1 -8.175 6.595 -1.658 1.00 0.00 N +ATOM 2 CA ASN A 1 -7.203 6.342 -0.567 1.00 0.00 C +ATOM 3 C ASN A 1 -5.868 5.761 -1.012 1.00 0.00 C +ATOM 4 O ASN A 1 -4.867 6.207 -0.471 1.00 0.00 O +ATOM 5 CB ASN A 1 -7.789 5.475 0.551 1.00 0.00 C +ATOM 6 CG ASN A 1 -8.492 6.367 1.553 1.00 0.00 C +ATOM 7 OD1 ASN A 1 -9.561 6.874 1.264 1.00 0.00 O +ATOM 8 ND2 ASN A 1 -7.884 6.637 2.695 1.00 0.00 N +ATOM 9 H1 ASN A 1 -7.762 7.177 -2.374 1.00 0.00 H +ATOM 10 H2 ASN A 1 -8.486 5.725 -2.069 1.00 0.00 H +ATOM 11 H3 ASN A 1 -8.985 7.069 -1.275 1.00 0.00 H +ATOM 12 HA ASN A 1 -6.948 7.307 -0.124 1.00 0.00 H +ATOM 13 HB2 ASN A 1 -8.491 4.779 0.135 1.00 0.00 H +ATOM 14 HB3 ASN A 1 -6.995 4.925 1.061 1.00 0.00 H +ATOM 15 HD21 ASN A 1 -6.974 6.276 2.941 1.00 0.00 H +ATOM 16 HD22 ASN A 1 -8.390 7.244 3.321 1.00 0.00 H +ATOM 17 N LEU A 2 -5.828 4.741 -1.887 1.00 0.00 N +ATOM 18 CA LEU A 2 -4.612 4.045 -2.368 1.00 0.00 C +ATOM 19 C LEU A 2 -3.979 3.125 -1.303 1.00 0.00 C +ATOM 20 O LEU A 2 -3.517 2.035 -1.641 1.00 0.00 O +ATOM 21 CB LEU A 2 -3.580 5.040 -2.959 1.00 0.00 C +ATOM 22 CG LEU A 2 -4.147 5.962 -4.067 1.00 0.00 C +ATOM 23 CD1 LEU A 2 -3.532 7.367 -4.057 1.00 0.00 C +ATOM 24 CD2 LEU A 2 -3.954 5.329 -5.447 1.00 0.00 C +ATOM 25 H LEU A 2 -6.690 4.354 -2.239 1.00 0.00 H +ATOM 26 HA LEU A 2 -4.915 3.389 -3.185 1.00 0.00 H +ATOM 27 HB2 LEU A 2 -3.214 5.658 -2.162 1.00 0.00 H +ATOM 28 HB3 LEU A 2 -2.734 4.477 -3.358 1.00 0.00 H +ATOM 29 HG LEU A 2 -5.216 6.098 -3.915 1.00 0.00 H +ATOM 30 HD11 LEU A 2 -3.212 7.650 -3.053 1.00 0.00 H +ATOM 31 HD12 LEU A 2 -2.676 7.423 -4.729 1.00 0.00 H +ATOM 32 HD13 LEU A 2 -4.283 8.087 -4.385 1.00 0.00 H +ATOM 33 HD21 LEU A 2 -2.891 5.203 -5.654 1.00 0.00 H +ATOM 34 HD22 LEU A 2 -4.442 4.355 -5.483 1.00 0.00 H +ATOM 35 HD23 LEU A 2 -4.390 5.972 -6.210 1.00 0.00 H +ATOM 36 N TYR A 3 -4.034 3.507 -0.022 1.00 0.00 N +ATOM 37 CA TYR A 3 -3.488 2.754 1.113 1.00 0.00 C +ATOM 38 C TYR A 3 -3.999 1.304 1.197 1.00 0.00 C +ATOM 39 O TYR A 3 -3.219 0.398 1.481 1.00 0.00 O +ATOM 40 CB TYR A 3 -3.764 3.518 2.421 1.00 0.00 C +ATOM 41 CG TYR A 3 -2.555 3.588 3.333 1.00 0.00 C +ATOM 42 CD1 TYR A 3 -2.195 2.479 4.123 1.00 0.00 C +ATOM 43 CD2 TYR A 3 -1.776 4.762 3.370 1.00 0.00 C +ATOM 44 CE1 TYR A 3 -1.050 2.538 4.942 1.00 0.00 C +ATOM 45 CE2 TYR A 3 -0.643 4.831 4.199 1.00 0.00 C +ATOM 46 CZ TYR A 3 -0.268 3.716 4.975 1.00 0.00 C +ATOM 47 OH TYR A 3 0.867 3.769 5.724 1.00 0.00 O +ATOM 48 H TYR A 3 -4.320 4.468 0.138 1.00 0.00 H +ATOM 49 HA TYR A 3 -2.408 2.707 0.979 1.00 0.00 H +ATOM 50 HB2 TYR A 3 -4.066 4.518 2.176 1.00 0.00 H +ATOM 51 HB3 TYR A 3 -4.590 3.050 2.959 1.00 0.00 H +ATOM 52 HD1 TYR A 3 -2.793 1.578 4.096 1.00 0.00 H +ATOM 53 HD2 TYR A 3 -2.027 5.621 2.759 1.00 0.00 H +ATOM 54 HE1 TYR A 3 -0.776 1.690 5.552 1.00 0.00 H +ATOM 55 HE2 TYR A 3 -0.044 5.734 4.228 1.00 0.00 H +ATOM 56 HH TYR A 3 1.327 2.931 5.742 1.00 0.00 H +ATOM 57 N ILE A 4 -5.288 1.067 0.907 1.00 0.00 N +ATOM 58 CA ILE A 4 -5.894 -0.275 0.884 1.00 0.00 C +ATOM 59 C ILE A 4 -5.214 -1.162 -0.172 1.00 0.00 C +ATOM 60 O ILE A 4 -4.782 -2.273 0.130 1.00 0.00 O +ATOM 61 CB ILE A 4 -7.430 -0.201 0.663 1.00 0.00 C +ATOM 62 CG1 ILE A 4 -8.116 0.772 1.655 1.00 0.00 C +ATOM 63 CG2 ILE A 4 -8.062 -1.596 0.813 1.00 0.00 C +ATOM 64 CD1 ILE A 4 -8.454 2.122 1.015 1.00 0.00 C +ATOM 65 H ILE A 4 -5.869 1.867 0.710 1.00 0.00 H +ATOM 66 HA ILE A 4 -5.718 -0.740 1.855 1.00 0.00 H +ATOM 67 HB ILE A 4 -7.627 0.135 -0.357 1.00 0.00 H +ATOM 68 HG12 ILE A 4 -9.024 0.321 2.007 1.00 0.00 H +ATOM 69 HG13 ILE A 4 -7.470 0.935 2.519 1.00 0.00 H +ATOM 70 HG21 ILE A 4 -7.644 -2.289 0.083 1.00 0.00 H +ATOM 71 HG22 ILE A 4 -7.885 -1.983 1.817 1.00 0.00 H +ATOM 72 HG23 ILE A 4 -9.137 -1.535 0.640 1.00 0.00 H +ATOM 73 HD11 ILE A 4 -7.676 2.427 0.316 1.00 0.00 H +ATOM 74 HD12 ILE A 4 -9.403 2.047 0.483 1.00 0.00 H +ATOM 75 HD13 ILE A 4 -8.550 2.876 1.798 1.00 0.00 H +ATOM 76 N GLN A 5 -5.080 -0.655 -1.404 1.00 0.00 N +ATOM 77 CA GLN A 5 -4.405 -1.359 -2.496 1.00 0.00 C +ATOM 78 C GLN A 5 -2.908 -1.559 -2.203 1.00 0.00 C +ATOM 79 O GLN A 5 -2.368 -2.623 -2.496 1.00 0.00 O +ATOM 80 CB GLN A 5 -4.637 -0.594 -3.811 1.00 0.00 C +ATOM 81 CG GLN A 5 -4.176 -1.352 -5.070 1.00 0.00 C +ATOM 82 CD GLN A 5 -5.080 -2.517 -5.485 1.00 0.00 C +ATOM 83 OE1 GLN A 5 -5.806 -3.119 -4.707 1.00 0.00 O +ATOM 84 NE2 GLN A 5 -5.067 -2.886 -6.751 1.00 0.00 N +ATOM 85 H GLN A 5 -5.392 0.289 -1.566 1.00 0.00 H +ATOM 86 HA GLN A 5 -4.856 -2.348 -2.581 1.00 0.00 H +ATOM 87 HB2 GLN A 5 -5.687 -0.394 -3.904 1.00 0.00 H +ATOM 88 HB3 GLN A 5 -4.096 0.353 -3.763 1.00 0.00 H +ATOM 89 HG2 GLN A 5 -4.136 -0.654 -5.884 1.00 0.00 H +ATOM 90 HG3 GLN A 5 -3.160 -1.723 -4.932 1.00 0.00 H +ATOM 91 HE21 GLN A 5 -4.471 -2.439 -7.427 1.00 0.00 H +ATOM 92 HE22 GLN A 5 -5.746 -3.581 -7.000 1.00 0.00 H +ATOM 93 N TRP A 6 -2.243 -0.575 -1.581 1.00 0.00 N +ATOM 94 CA TRP A 6 -0.858 -0.716 -1.118 1.00 0.00 C +ATOM 95 C TRP A 6 -0.699 -1.828 -0.069 1.00 0.00 C +ATOM 96 O TRP A 6 0.195 -2.668 -0.194 1.00 0.00 O +ATOM 97 CB TRP A 6 -0.351 0.624 -0.585 1.00 0.00 C +ATOM 98 CG TRP A 6 1.048 0.578 -0.054 1.00 0.00 C +ATOM 99 CD1 TRP A 6 2.171 0.607 -0.807 1.00 0.00 C +ATOM 100 CD2 TRP A 6 1.497 0.476 1.333 1.00 0.00 C +ATOM 101 NE1 TRP A 6 3.277 0.517 0.018 1.00 0.00 N +ATOM 102 CE2 TRP A 6 2.921 0.430 1.339 1.00 0.00 C +ATOM 103 CE3 TRP A 6 0.854 0.427 2.590 1.00 0.00 C +ATOM 104 CZ2 TRP A 6 3.676 0.352 2.517 1.00 0.00 C +ATOM 105 CZ3 TRP A 6 1.600 0.338 3.783 1.00 0.00 C +ATOM 106 CH2 TRP A 6 3.006 0.310 3.748 1.00 0.00 C +ATOM 107 H TRP A 6 -2.729 0.304 -1.422 1.00 0.00 H +ATOM 108 HA TRP A 6 -0.238 -0.999 -1.969 1.00 0.00 H +ATOM 109 HB2 TRP A 6 -0.385 1.340 -1.384 1.00 0.00 H +ATOM 110 HB3 TRP A 6 -1.007 0.967 0.214 1.00 0.00 H +ATOM 111 HD1 TRP A 6 2.193 0.693 -1.885 1.00 0.00 H +ATOM 112 HE1 TRP A 6 4.245 0.568 -0.288 1.00 0.00 H +ATOM 113 HE3 TRP A 6 -0.224 0.468 2.624 1.00 0.00 H +ATOM 114 HZ2 TRP A 6 4.754 0.329 2.457 1.00 0.00 H +ATOM 115 HZ3 TRP A 6 1.091 0.294 4.733 1.00 0.00 H +ATOM 116 HH2 TRP A 6 3.573 0.259 4.666 1.00 0.00 H +ATOM 117 N LEU A 7 -1.582 -1.882 0.939 1.00 0.00 N +ATOM 118 CA LEU A 7 -1.603 -2.983 1.905 1.00 0.00 C +ATOM 119 C LEU A 7 -1.840 -4.339 1.225 1.00 0.00 C +ATOM 120 O LEU A 7 -1.195 -5.312 1.611 1.00 0.00 O +ATOM 121 CB LEU A 7 -2.648 -2.725 3.008 1.00 0.00 C +ATOM 122 CG LEU A 7 -2.246 -1.632 4.018 1.00 0.00 C +ATOM 123 CD1 LEU A 7 -3.417 -1.351 4.965 1.00 0.00 C +ATOM 124 CD2 LEU A 7 -1.033 -2.033 4.868 1.00 0.00 C +ATOM 125 H LEU A 7 -2.278 -1.141 1.019 1.00 0.00 H +ATOM 126 HA LEU A 7 -0.618 -3.051 2.362 1.00 0.00 H +ATOM 127 HB2 LEU A 7 -3.566 -2.428 2.539 1.00 0.00 H +ATOM 128 HB3 LEU A 7 -2.811 -3.653 3.557 1.00 0.00 H +ATOM 129 HG LEU A 7 -2.009 -0.713 3.490 1.00 0.00 H +ATOM 130 HD11 LEU A 7 -4.299 -1.072 4.387 1.00 0.00 H +ATOM 131 HD12 LEU A 7 -3.642 -2.240 5.555 1.00 0.00 H +ATOM 132 HD13 LEU A 7 -3.161 -0.532 5.635 1.00 0.00 H +ATOM 133 HD21 LEU A 7 -1.219 -2.989 5.358 1.00 0.00 H +ATOM 134 HD22 LEU A 7 -0.146 -2.116 4.244 1.00 0.00 H +ATOM 135 HD23 LEU A 7 -0.847 -1.273 5.626 1.00 0.00 H +ATOM 136 N LYS A 8 -2.685 -4.402 0.182 1.00 0.00 N +ATOM 137 CA LYS A 8 -2.936 -5.625 -0.601 1.00 0.00 C +ATOM 138 C LYS A 8 -1.667 -6.232 -1.217 1.00 0.00 C +ATOM 139 O LYS A 8 -1.582 -7.450 -1.336 1.00 0.00 O +ATOM 140 CB LYS A 8 -3.985 -5.346 -1.693 1.00 0.00 C +ATOM 141 CG LYS A 8 -4.692 -6.641 -2.114 1.00 0.00 C +ATOM 142 CD LYS A 8 -5.718 -6.428 -3.232 1.00 0.00 C +ATOM 143 CE LYS A 8 -5.032 -6.294 -4.599 1.00 0.00 C +ATOM 144 NZ LYS A 8 -5.771 -7.040 -5.645 1.00 0.00 N +ATOM 145 H LYS A 8 -3.211 -3.559 -0.040 1.00 0.00 H +ATOM 146 HA LYS A 8 -3.336 -6.373 0.084 1.00 0.00 H +ATOM 147 HB2 LYS A 8 -4.713 -4.655 -1.313 1.00 0.00 H +ATOM 148 HB3 LYS A 8 -3.500 -4.897 -2.560 1.00 0.00 H +ATOM 149 HG2 LYS A 8 -3.952 -7.338 -2.457 1.00 0.00 H +ATOM 150 HG3 LYS A 8 -5.210 -7.046 -1.244 1.00 0.00 H +ATOM 151 HD2 LYS A 8 -6.387 -7.266 -3.257 1.00 0.00 H +ATOM 152 HD3 LYS A 8 -6.315 -5.536 -3.029 1.00 0.00 H +ATOM 153 HE2 LYS A 8 -4.993 -5.257 -4.871 1.00 0.00 H +ATOM 154 HE3 LYS A 8 -4.012 -6.679 -4.526 1.00 0.00 H +ATOM 155 HZ1 LYS A 8 -5.793 -8.024 -5.407 1.00 0.00 H +ATOM 156 HZ2 LYS A 8 -6.721 -6.700 -5.709 1.00 0.00 H +ATOM 157 HZ3 LYS A 8 -5.316 -6.938 -6.542 1.00 0.00 H +ATOM 158 N ASP A 9 -0.684 -5.400 -1.577 1.00 0.00 N +ATOM 159 CA ASP A 9 0.625 -5.836 -2.086 1.00 0.00 C +ATOM 160 C ASP A 9 1.499 -6.498 -0.998 1.00 0.00 C +ATOM 161 O ASP A 9 2.414 -7.249 -1.327 1.00 0.00 O +ATOM 162 CB ASP A 9 1.344 -4.617 -2.703 1.00 0.00 C +ATOM 163 CG ASP A 9 2.032 -4.934 -4.036 1.00 0.00 C +ATOM 164 OD1 ASP A 9 1.293 -5.094 -5.034 1.00 0.00 O +ATOM 165 OD2 ASP A 9 3.282 -4.935 -4.072 1.00 0.00 O +ATOM 166 H ASP A 9 -0.848 -4.407 -1.477 1.00 0.00 H +ATOM 167 HA ASP A 9 0.459 -6.576 -2.871 1.00 0.00 H +ATOM 168 HB2 ASP A 9 0.621 -3.842 -2.868 1.00 0.00 H +ATOM 169 HB3 ASP A 9 2.073 -4.222 -1.993 1.00 0.00 H +ATOM 170 N GLY A 10 1.197 -6.249 0.290 1.00 0.00 N +ATOM 171 CA GLY A 10 1.964 -6.697 1.458 1.00 0.00 C +ATOM 172 C GLY A 10 2.454 -5.562 2.375 1.00 0.00 C +ATOM 173 O GLY A 10 3.219 -5.821 3.307 1.00 0.00 O +ATOM 174 H GLY A 10 0.340 -5.733 0.471 1.00 0.00 H +ATOM 175 HA2 GLY A 10 1.338 -7.359 2.052 1.00 0.00 H +ATOM 176 HA3 GLY A 10 2.839 -7.260 1.131 1.00 0.00 H +ATOM 177 N GLY A 11 2.062 -4.303 2.120 1.00 0.00 N +ATOM 178 CA GLY A 11 2.530 -3.141 2.879 1.00 0.00 C +ATOM 179 C GLY A 11 4.060 -2.973 2.802 1.00 0.00 C +ATOM 180 O GLY A 11 4.611 -3.075 1.699 1.00 0.00 O +ATOM 181 H GLY A 11 1.492 -4.143 1.300 1.00 0.00 H +ATOM 182 HA2 GLY A 11 2.070 -2.244 2.466 1.00 0.00 H +ATOM 183 HA3 GLY A 11 2.200 -3.255 3.909 1.00 0.00 H +ATOM 184 N PRO A 12 4.771 -2.727 3.926 1.00 0.00 N +ATOM 185 CA PRO A 12 6.226 -2.519 3.940 1.00 0.00 C +ATOM 186 C PRO A 12 7.037 -3.646 3.278 1.00 0.00 C +ATOM 187 O PRO A 12 8.097 -3.395 2.709 1.00 0.00 O +ATOM 188 CB PRO A 12 6.621 -2.378 5.418 1.00 0.00 C +ATOM 189 CG PRO A 12 5.327 -1.974 6.119 1.00 0.00 C +ATOM 190 CD PRO A 12 4.247 -2.658 5.284 1.00 0.00 C +ATOM 191 HA PRO A 12 6.447 -1.585 3.423 1.00 0.00 H +ATOM 192 HB2 PRO A 12 6.987 -3.310 5.804 1.00 0.00 H +ATOM 193 HB3 PRO A 12 7.399 -1.626 5.554 1.00 0.00 H +ATOM 194 HG2 PRO A 12 5.312 -2.328 7.132 1.00 0.00 H +ATOM 195 HG3 PRO A 12 5.205 -0.892 6.065 1.00 0.00 H +ATOM 196 HD2 PRO A 12 4.054 -3.644 5.660 1.00 0.00 H +ATOM 197 HD3 PRO A 12 3.323 -2.082 5.337 1.00 0.00 H +ATOM 198 N SER A 13 6.521 -4.880 3.304 1.00 0.00 N +ATOM 199 CA SER A 13 7.176 -6.096 2.804 1.00 0.00 C +ATOM 200 C SER A 13 7.053 -6.286 1.281 1.00 0.00 C +ATOM 201 O SER A 13 7.203 -7.401 0.787 1.00 0.00 O +ATOM 202 CB SER A 13 6.621 -7.302 3.574 1.00 0.00 C +ATOM 203 OG SER A 13 6.881 -7.134 4.956 1.00 0.00 O +ATOM 204 H SER A 13 5.621 -5.007 3.748 1.00 0.00 H +ATOM 205 HA SER A 13 8.242 -6.031 3.029 1.00 0.00 H +ATOM 206 HB2 SER A 13 5.562 -7.373 3.414 1.00 0.00 H +ATOM 207 HB3 SER A 13 7.106 -8.216 3.229 1.00 0.00 H +ATOM 208 HG SER A 13 6.464 -7.849 5.442 1.00 0.00 H +ATOM 209 N SER A 14 6.792 -5.202 0.538 1.00 0.00 N +ATOM 210 CA SER A 14 6.428 -5.207 -0.894 1.00 0.00 C +ATOM 211 C SER A 14 7.386 -4.379 -1.769 1.00 0.00 C +ATOM 212 O SER A 14 7.101 -4.123 -2.941 1.00 0.00 O +ATOM 213 CB SER A 14 4.978 -4.731 -1.093 1.00 0.00 C +ATOM 214 OG SER A 14 4.172 -4.953 0.037 1.00 0.00 O +ATOM 215 H SER A 14 6.675 -4.342 1.057 1.00 0.00 H +ATOM 216 HA SER A 14 6.470 -6.235 -1.257 1.00 0.00 H +ATOM 217 HB2 SER A 14 4.988 -3.679 -1.305 1.00 0.00 H +ATOM 218 HB3 SER A 14 4.551 -5.239 -1.956 1.00 0.00 H +ATOM 219 HG SER A 14 4.342 -4.220 0.679 1.00 0.00 H +ATOM 220 N GLY A 15 8.502 -3.913 -1.182 1.00 0.00 N +ATOM 221 CA GLY A 15 9.546 -3.129 -1.849 1.00 0.00 C +ATOM 222 C GLY A 15 9.114 -1.724 -2.287 1.00 0.00 C +ATOM 223 O GLY A 15 9.680 -1.186 -3.235 1.00 0.00 O +ATOM 224 H GLY A 15 8.649 -4.194 -0.222 1.00 0.00 H +ATOM 225 HA2 GLY A 15 10.391 -3.019 -1.170 1.00 0.00 H +ATOM 226 HA3 GLY A 15 9.893 -3.670 -2.730 1.00 0.00 H +ATOM 227 N ARG A 16 8.100 -1.139 -1.630 1.00 0.00 N +ATOM 228 CA ARG A 16 7.450 0.119 -2.030 1.00 0.00 C +ATOM 229 C ARG A 16 6.928 0.911 -0.816 1.00 0.00 C +ATOM 230 O ARG A 16 6.269 0.321 0.044 1.00 0.00 O +ATOM 231 CB ARG A 16 6.317 -0.179 -3.034 1.00 0.00 C +ATOM 232 CG ARG A 16 5.288 -1.191 -2.504 1.00 0.00 C +ATOM 233 CD ARG A 16 4.285 -1.659 -3.553 1.00 0.00 C +ATOM 234 NE ARG A 16 4.933 -2.527 -4.549 1.00 0.00 N +ATOM 235 CZ ARG A 16 4.527 -2.735 -5.794 1.00 0.00 C +ATOM 236 NH1 ARG A 16 3.493 -2.100 -6.302 1.00 0.00 N +ATOM 237 NH2 ARG A 16 5.167 -3.578 -6.566 1.00 0.00 N +ATOM 238 H ARG A 16 7.708 -1.640 -0.844 1.00 0.00 H +ATOM 239 HA ARG A 16 8.196 0.717 -2.550 1.00 0.00 H +ATOM 240 HB2 ARG A 16 5.809 0.739 -3.257 1.00 0.00 H +ATOM 241 HB3 ARG A 16 6.768 -0.575 -3.945 1.00 0.00 H +ATOM 242 HG2 ARG A 16 5.817 -2.049 -2.135 1.00 0.00 H +ATOM 243 HG3 ARG A 16 4.734 -0.757 -1.678 1.00 0.00 H +ATOM 244 HD2 ARG A 16 3.499 -2.206 -3.068 1.00 0.00 H +ATOM 245 HD3 ARG A 16 3.837 -0.783 -4.024 1.00 0.00 H +ATOM 246 HE ARG A 16 5.648 -3.155 -4.195 1.00 0.00 H +ATOM 247 HH11 ARG A 16 2.947 -1.544 -5.671 1.00 0.00 H +ATOM 248 HH12 ARG A 16 3.153 -2.320 -7.218 1.00 0.00 H +ATOM 249 HH21 ARG A 16 5.883 -4.149 -6.152 1.00 0.00 H +ATOM 250 HH22 ARG A 16 4.831 -3.768 -7.490 1.00 0.00 H +ATOM 251 N PRO A 17 7.167 2.235 -0.738 1.00 0.00 N +ATOM 252 CA PRO A 17 6.698 3.071 0.368 1.00 0.00 C +ATOM 253 C PRO A 17 5.171 3.287 0.323 1.00 0.00 C +ATOM 254 O PRO A 17 4.562 3.090 -0.732 1.00 0.00 O +ATOM 255 CB PRO A 17 7.457 4.393 0.202 1.00 0.00 C +ATOM 256 CG PRO A 17 7.658 4.498 -1.308 1.00 0.00 C +ATOM 257 CD PRO A 17 7.864 3.045 -1.729 1.00 0.00 C +ATOM 258 HA PRO A 17 6.972 2.607 1.317 1.00 0.00 H +ATOM 259 HB2 PRO A 17 6.878 5.217 0.571 1.00 0.00 H +ATOM 260 HB3 PRO A 17 8.428 4.317 0.695 1.00 0.00 H +ATOM 261 HG2 PRO A 17 6.793 4.919 -1.784 1.00 0.00 H +ATOM 262 HG3 PRO A 17 8.520 5.115 -1.561 1.00 0.00 H +ATOM 263 HD2 PRO A 17 7.450 2.878 -2.705 1.00 0.00 H +ATOM 264 HD3 PRO A 17 8.927 2.802 -1.714 1.00 0.00 H +ATOM 265 N PRO A 18 4.543 3.703 1.441 1.00 0.00 N +ATOM 266 CA PRO A 18 3.105 3.956 1.499 1.00 0.00 C +ATOM 267 C PRO A 18 2.686 5.190 0.673 1.00 0.00 C +ATOM 268 O PRO A 18 3.440 6.163 0.597 1.00 0.00 O +ATOM 269 CB PRO A 18 2.777 4.132 2.983 1.00 0.00 C +ATOM 270 CG PRO A 18 4.091 4.608 3.598 1.00 0.00 C +ATOM 271 CD PRO A 18 5.149 3.902 2.752 1.00 0.00 C +ATOM 272 HA PRO A 18 2.585 3.075 1.131 1.00 0.00 H +ATOM 273 HB2 PRO A 18 2.005 4.865 3.119 1.00 0.00 H +ATOM 274 HB3 PRO A 18 2.506 3.167 3.411 1.00 0.00 H +ATOM 275 HG2 PRO A 18 4.187 5.674 3.523 1.00 0.00 H +ATOM 276 HG3 PRO A 18 4.169 4.334 4.651 1.00 0.00 H +ATOM 277 HD2 PRO A 18 6.028 4.511 2.668 1.00 0.00 H +ATOM 278 HD3 PRO A 18 5.384 2.932 3.191 1.00 0.00 H +ATOM 279 N PRO A 19 1.485 5.179 0.063 1.00 0.00 N +ATOM 280 CA PRO A 19 0.959 6.296 -0.711 1.00 0.00 C +ATOM 281 C PRO A 19 0.308 7.346 0.205 1.00 0.00 C +ATOM 282 O PRO A 19 -0.866 7.217 0.563 1.00 0.00 O +ATOM 283 CB PRO A 19 -0.038 5.662 -1.685 1.00 0.00 C +ATOM 284 CG PRO A 19 -0.611 4.494 -0.880 1.00 0.00 C +ATOM 285 CD PRO A 19 0.571 4.046 -0.020 1.00 0.00 C +ATOM 286 HA PRO A 19 1.758 6.771 -1.284 1.00 0.00 H +ATOM 287 HB2 PRO A 19 -0.808 6.358 -1.956 1.00 0.00 H +ATOM 288 HB3 PRO A 19 0.500 5.276 -2.551 1.00 0.00 H +ATOM 289 HG2 PRO A 19 -1.432 4.815 -0.268 1.00 0.00 H +ATOM 290 HG3 PRO A 19 -0.960 3.695 -1.533 1.00 0.00 H +ATOM 291 HD2 PRO A 19 0.232 3.772 0.961 1.00 0.00 H +ATOM 292 HD3 PRO A 19 1.080 3.221 -0.514 1.00 0.00 H +ATOM 293 N SER A 20 1.081 8.389 0.531 1.00 0.00 N +ATOM 294 CA SER A 20 0.712 9.526 1.401 1.00 0.00 C +ATOM 295 C SER A 20 0.588 9.160 2.890 1.00 0.00 C +ATOM 296 O SER A 20 0.262 10.095 3.652 1.00 0.00 O +ATOM 297 CB SER A 20 -0.566 10.221 0.907 1.00 0.00 C +ATOM 298 OG SER A 20 -0.448 10.583 -0.457 1.00 0.00 O +ATOM 299 OXT SER A 20 0.841 7.989 3.253 1.00 0.00 O +ATOM 300 H SER A 20 2.044 8.336 0.235 1.00 0.00 H +ATOM 301 HA SER A 20 1.510 10.263 1.347 1.00 0.00 H +ATOM 302 HB2 SER A 20 -1.397 9.552 1.023 1.00 0.00 H +ATOM 303 HB3 SER A 20 -0.739 11.118 1.507 1.00 0.00 H +ATOM 304 HG SER A 20 -1.325 10.595 -0.845 1.00 0.00 H +TER 305 SER A 20 +ENDMDL +MODEL 6 +ATOM 1 N ASN A 1 -8.386 5.528 0.323 1.00 0.00 N +ATOM 2 CA ASN A 1 -7.252 6.475 0.201 1.00 0.00 C +ATOM 3 C ASN A 1 -5.976 5.793 -0.320 1.00 0.00 C +ATOM 4 O ASN A 1 -4.928 5.981 0.279 1.00 0.00 O +ATOM 5 CB ASN A 1 -6.989 7.168 1.563 1.00 0.00 C +ATOM 6 CG ASN A 1 -8.182 7.971 2.069 1.00 0.00 C +ATOM 7 OD1 ASN A 1 -9.321 7.671 1.737 1.00 0.00 O +ATOM 8 ND2 ASN A 1 -7.956 8.989 2.877 1.00 0.00 N +ATOM 9 H1 ASN A 1 -8.680 5.191 -0.583 1.00 0.00 H +ATOM 10 H2 ASN A 1 -8.133 4.750 0.917 1.00 0.00 H +ATOM 11 H3 ASN A 1 -9.162 6.024 0.757 1.00 0.00 H +ATOM 12 HA ASN A 1 -7.519 7.256 -0.513 1.00 0.00 H +ATOM 13 HB2 ASN A 1 -6.753 6.414 2.289 1.00 0.00 H +ATOM 14 HB3 ASN A 1 -6.141 7.847 1.464 1.00 0.00 H +ATOM 15 HD21 ASN A 1 -7.025 9.245 3.168 1.00 0.00 H +ATOM 16 HD22 ASN A 1 -8.768 9.497 3.186 1.00 0.00 H +ATOM 17 N LEU A 2 -6.033 4.992 -1.399 1.00 0.00 N +ATOM 18 CA LEU A 2 -4.893 4.279 -2.026 1.00 0.00 C +ATOM 19 C LEU A 2 -4.189 3.209 -1.150 1.00 0.00 C +ATOM 20 O LEU A 2 -3.787 2.161 -1.653 1.00 0.00 O +ATOM 21 CB LEU A 2 -3.898 5.323 -2.592 1.00 0.00 C +ATOM 22 CG LEU A 2 -3.403 5.048 -4.026 1.00 0.00 C +ATOM 23 CD1 LEU A 2 -4.520 5.284 -5.049 1.00 0.00 C +ATOM 24 CD2 LEU A 2 -2.245 5.991 -4.373 1.00 0.00 C +ATOM 25 H LEU A 2 -6.896 4.918 -1.915 1.00 0.00 H +ATOM 26 HA LEU A 2 -5.303 3.724 -2.868 1.00 0.00 H +ATOM 27 HB2 LEU A 2 -4.382 6.281 -2.586 1.00 0.00 H +ATOM 28 HB3 LEU A 2 -3.041 5.381 -1.923 1.00 0.00 H +ATOM 29 HG LEU A 2 -3.055 4.018 -4.106 1.00 0.00 H +ATOM 30 HD11 LEU A 2 -5.356 4.614 -4.868 1.00 0.00 H +ATOM 31 HD12 LEU A 2 -4.864 6.318 -4.993 1.00 0.00 H +ATOM 32 HD13 LEU A 2 -4.141 5.093 -6.053 1.00 0.00 H +ATOM 33 HD21 LEU A 2 -2.447 7.000 -4.006 1.00 0.00 H +ATOM 34 HD22 LEU A 2 -1.330 5.621 -3.919 1.00 0.00 H +ATOM 35 HD23 LEU A 2 -2.089 6.031 -5.450 1.00 0.00 H +ATOM 36 N TYR A 3 -4.112 3.429 0.165 1.00 0.00 N +ATOM 37 CA TYR A 3 -3.496 2.595 1.193 1.00 0.00 C +ATOM 38 C TYR A 3 -4.014 1.148 1.203 1.00 0.00 C +ATOM 39 O TYR A 3 -3.249 0.231 1.485 1.00 0.00 O +ATOM 40 CB TYR A 3 -3.710 3.279 2.555 1.00 0.00 C +ATOM 41 CG TYR A 3 -2.553 3.084 3.510 1.00 0.00 C +ATOM 42 CD1 TYR A 3 -2.456 1.903 4.268 1.00 0.00 C +ATOM 43 CD2 TYR A 3 -1.561 4.078 3.620 1.00 0.00 C +ATOM 44 CE1 TYR A 3 -1.355 1.701 5.120 1.00 0.00 C +ATOM 45 CE2 TYR A 3 -0.454 3.878 4.467 1.00 0.00 C +ATOM 46 CZ TYR A 3 -0.345 2.682 5.210 1.00 0.00 C +ATOM 47 OH TYR A 3 0.737 2.459 6.003 1.00 0.00 O +ATOM 48 H TYR A 3 -4.356 4.372 0.451 1.00 0.00 H +ATOM 49 HA TYR A 3 -2.424 2.563 0.995 1.00 0.00 H +ATOM 50 HB2 TYR A 3 -3.843 4.331 2.391 1.00 0.00 H +ATOM 51 HB3 TYR A 3 -4.629 2.908 3.015 1.00 0.00 H +ATOM 52 HD1 TYR A 3 -3.225 1.149 4.184 1.00 0.00 H +ATOM 53 HD2 TYR A 3 -1.654 5.000 3.056 1.00 0.00 H +ATOM 54 HE1 TYR A 3 -1.263 0.796 5.701 1.00 0.00 H +ATOM 55 HE2 TYR A 3 0.299 4.646 4.556 1.00 0.00 H +ATOM 56 HH TYR A 3 1.435 3.096 5.844 1.00 0.00 H +ATOM 57 N ILE A 4 -5.288 0.927 0.844 1.00 0.00 N +ATOM 58 CA ILE A 4 -5.882 -0.413 0.700 1.00 0.00 C +ATOM 59 C ILE A 4 -5.155 -1.216 -0.392 1.00 0.00 C +ATOM 60 O ILE A 4 -4.783 -2.368 -0.166 1.00 0.00 O +ATOM 61 CB ILE A 4 -7.403 -0.333 0.415 1.00 0.00 C +ATOM 62 CG1 ILE A 4 -8.165 0.597 1.397 1.00 0.00 C +ATOM 63 CG2 ILE A 4 -8.025 -1.739 0.474 1.00 0.00 C +ATOM 64 CD1 ILE A 4 -8.569 1.925 0.742 1.00 0.00 C +ATOM 65 H ILE A 4 -5.849 1.736 0.639 1.00 0.00 H +ATOM 66 HA ILE A 4 -5.742 -0.945 1.643 1.00 0.00 H +ATOM 67 HB ILE A 4 -7.545 0.041 -0.602 1.00 0.00 H +ATOM 68 HG12 ILE A 4 -9.051 0.094 1.733 1.00 0.00 H +ATOM 69 HG13 ILE A 4 -7.558 0.797 2.280 1.00 0.00 H +ATOM 70 HG21 ILE A 4 -7.561 -2.398 -0.261 1.00 0.00 H +ATOM 71 HG22 ILE A 4 -7.892 -2.168 1.469 1.00 0.00 H +ATOM 72 HG23 ILE A 4 -9.091 -1.683 0.250 1.00 0.00 H +ATOM 73 HD11 ILE A 4 -7.690 2.447 0.367 1.00 0.00 H +ATOM 74 HD12 ILE A 4 -9.256 1.730 -0.083 1.00 0.00 H +ATOM 75 HD13 ILE A 4 -9.076 2.550 1.478 1.00 0.00 H +ATOM 76 N GLN A 5 -4.919 -0.602 -1.563 1.00 0.00 N +ATOM 77 CA GLN A 5 -4.148 -1.213 -2.650 1.00 0.00 C +ATOM 78 C GLN A 5 -2.698 -1.477 -2.220 1.00 0.00 C +ATOM 79 O GLN A 5 -2.176 -2.563 -2.456 1.00 0.00 O +ATOM 80 CB GLN A 5 -4.189 -0.338 -3.923 1.00 0.00 C +ATOM 81 CG GLN A 5 -5.048 -0.952 -5.043 1.00 0.00 C +ATOM 82 CD GLN A 5 -4.557 -0.530 -6.426 1.00 0.00 C +ATOM 83 OE1 GLN A 5 -3.843 -1.254 -7.098 1.00 0.00 O +ATOM 84 NE2 GLN A 5 -4.900 0.648 -6.907 1.00 0.00 N +ATOM 85 H GLN A 5 -5.147 0.379 -1.642 1.00 0.00 H +ATOM 86 HA GLN A 5 -4.590 -2.184 -2.870 1.00 0.00 H +ATOM 87 HB2 GLN A 5 -4.595 0.621 -3.666 1.00 0.00 H +ATOM 88 HB3 GLN A 5 -3.171 -0.226 -4.301 1.00 0.00 H +ATOM 89 HG2 GLN A 5 -5.003 -2.022 -4.969 1.00 0.00 H +ATOM 90 HG3 GLN A 5 -6.090 -0.657 -4.912 1.00 0.00 H +ATOM 91 HE21 GLN A 5 -5.491 1.299 -6.420 1.00 0.00 H +ATOM 92 HE22 GLN A 5 -4.516 0.824 -7.820 1.00 0.00 H +ATOM 93 N TRP A 6 -2.058 -0.514 -1.548 1.00 0.00 N +ATOM 94 CA TRP A 6 -0.698 -0.699 -1.033 1.00 0.00 C +ATOM 95 C TRP A 6 -0.598 -1.819 0.024 1.00 0.00 C +ATOM 96 O TRP A 6 0.351 -2.603 0.007 1.00 0.00 O +ATOM 97 CB TRP A 6 -0.182 0.633 -0.487 1.00 0.00 C +ATOM 98 CG TRP A 6 1.208 0.559 0.054 1.00 0.00 C +ATOM 99 CD1 TRP A 6 2.340 0.584 -0.684 1.00 0.00 C +ATOM 100 CD2 TRP A 6 1.636 0.399 1.441 1.00 0.00 C +ATOM 101 NE1 TRP A 6 3.434 0.426 0.145 1.00 0.00 N +ATOM 102 CE2 TRP A 6 3.060 0.338 1.464 1.00 0.00 C +ATOM 103 CE3 TRP A 6 0.968 0.306 2.680 1.00 0.00 C +ATOM 104 CZ2 TRP A 6 3.793 0.231 2.652 1.00 0.00 C +ATOM 105 CZ3 TRP A 6 1.692 0.176 3.881 1.00 0.00 C +ATOM 106 CH2 TRP A 6 3.098 0.160 3.871 1.00 0.00 C +ATOM 107 H TRP A 6 -2.537 0.370 -1.411 1.00 0.00 H +ATOM 108 HA TRP A 6 -0.056 -0.999 -1.865 1.00 0.00 H +ATOM 109 HB2 TRP A 6 -0.199 1.355 -1.281 1.00 0.00 H +ATOM 110 HB3 TRP A 6 -0.845 0.977 0.306 1.00 0.00 H +ATOM 111 HD1 TRP A 6 2.372 0.691 -1.760 1.00 0.00 H +ATOM 112 HE1 TRP A 6 4.406 0.397 -0.171 1.00 0.00 H +ATOM 113 HE3 TRP A 6 -0.111 0.343 2.699 1.00 0.00 H +ATOM 114 HZ2 TRP A 6 4.871 0.201 2.617 1.00 0.00 H +ATOM 115 HZ3 TRP A 6 1.165 0.101 4.820 1.00 0.00 H +ATOM 116 HH2 TRP A 6 3.644 0.086 4.800 1.00 0.00 H +ATOM 117 N LEU A 7 -1.583 -1.947 0.921 1.00 0.00 N +ATOM 118 CA LEU A 7 -1.656 -3.076 1.851 1.00 0.00 C +ATOM 119 C LEU A 7 -1.870 -4.413 1.124 1.00 0.00 C +ATOM 120 O LEU A 7 -1.239 -5.396 1.507 1.00 0.00 O +ATOM 121 CB LEU A 7 -2.744 -2.838 2.914 1.00 0.00 C +ATOM 122 CG LEU A 7 -2.336 -1.840 4.014 1.00 0.00 C +ATOM 123 CD1 LEU A 7 -3.558 -1.525 4.882 1.00 0.00 C +ATOM 124 CD2 LEU A 7 -1.236 -2.386 4.934 1.00 0.00 C +ATOM 125 H LEU A 7 -2.308 -1.232 0.953 1.00 0.00 H +ATOM 126 HA LEU A 7 -0.691 -3.164 2.348 1.00 0.00 H +ATOM 127 HB2 LEU A 7 -3.619 -2.459 2.422 1.00 0.00 H +ATOM 128 HB3 LEU A 7 -2.984 -3.790 3.391 1.00 0.00 H +ATOM 129 HG LEU A 7 -1.981 -0.918 3.559 1.00 0.00 H +ATOM 130 HD11 LEU A 7 -4.336 -1.072 4.269 1.00 0.00 H +ATOM 131 HD12 LEU A 7 -3.942 -2.440 5.333 1.00 0.00 H +ATOM 132 HD13 LEU A 7 -3.281 -0.829 5.675 1.00 0.00 H +ATOM 133 HD21 LEU A 7 -1.580 -3.296 5.429 1.00 0.00 H +ATOM 134 HD22 LEU A 7 -0.333 -2.606 4.369 1.00 0.00 H +ATOM 135 HD23 LEU A 7 -0.987 -1.645 5.691 1.00 0.00 H +ATOM 136 N LYS A 8 -2.686 -4.452 0.056 1.00 0.00 N +ATOM 137 CA LYS A 8 -2.868 -5.634 -0.809 1.00 0.00 C +ATOM 138 C LYS A 8 -1.553 -6.182 -1.385 1.00 0.00 C +ATOM 139 O LYS A 8 -1.446 -7.398 -1.524 1.00 0.00 O +ATOM 140 CB LYS A 8 -3.855 -5.315 -1.947 1.00 0.00 C +ATOM 141 CG LYS A 8 -5.312 -5.718 -1.691 1.00 0.00 C +ATOM 142 CD LYS A 8 -5.595 -7.194 -2.011 1.00 0.00 C +ATOM 143 CE LYS A 8 -7.083 -7.358 -2.351 1.00 0.00 C +ATOM 144 NZ LYS A 8 -7.467 -8.781 -2.499 1.00 0.00 N +ATOM 145 H LYS A 8 -3.201 -3.604 -0.166 1.00 0.00 H +ATOM 146 HA LYS A 8 -3.277 -6.443 -0.202 1.00 0.00 H +ATOM 147 HB2 LYS A 8 -3.830 -4.256 -2.119 1.00 0.00 H +ATOM 148 HB3 LYS A 8 -3.518 -5.782 -2.874 1.00 0.00 H +ATOM 149 HG2 LYS A 8 -5.538 -5.544 -0.657 1.00 0.00 H +ATOM 150 HG3 LYS A 8 -5.933 -5.099 -2.340 1.00 0.00 H +ATOM 151 HD2 LYS A 8 -4.999 -7.501 -2.849 1.00 0.00 H +ATOM 152 HD3 LYS A 8 -5.322 -7.812 -1.153 1.00 0.00 H +ATOM 153 HE2 LYS A 8 -7.668 -6.922 -1.564 1.00 0.00 H +ATOM 154 HE3 LYS A 8 -7.274 -6.823 -3.286 1.00 0.00 H +ATOM 155 HZ1 LYS A 8 -6.831 -9.251 -3.130 1.00 0.00 H +ATOM 156 HZ2 LYS A 8 -7.436 -9.244 -1.601 1.00 0.00 H +ATOM 157 HZ3 LYS A 8 -8.406 -8.854 -2.869 1.00 0.00 H +ATOM 158 N ASP A 9 -0.560 -5.331 -1.687 1.00 0.00 N +ATOM 159 CA ASP A 9 0.784 -5.780 -2.096 1.00 0.00 C +ATOM 160 C ASP A 9 1.568 -6.488 -0.965 1.00 0.00 C +ATOM 161 O ASP A 9 2.503 -7.234 -1.258 1.00 0.00 O +ATOM 162 CB ASP A 9 1.632 -4.594 -2.600 1.00 0.00 C +ATOM 163 CG ASP A 9 1.231 -4.011 -3.959 1.00 0.00 C +ATOM 164 OD1 ASP A 9 1.430 -4.722 -4.969 1.00 0.00 O +ATOM 165 OD2 ASP A 9 0.856 -2.815 -4.003 1.00 0.00 O +ATOM 166 H ASP A 9 -0.747 -4.339 -1.618 1.00 0.00 H +ATOM 167 HA ASP A 9 0.686 -6.498 -2.912 1.00 0.00 H +ATOM 168 HB2 ASP A 9 1.563 -3.808 -1.872 1.00 0.00 H +ATOM 169 HB3 ASP A 9 2.656 -4.948 -2.713 1.00 0.00 H +ATOM 170 N GLY A 10 1.199 -6.278 0.311 1.00 0.00 N +ATOM 171 CA GLY A 10 1.937 -6.750 1.490 1.00 0.00 C +ATOM 172 C GLY A 10 2.431 -5.639 2.432 1.00 0.00 C +ATOM 173 O GLY A 10 3.200 -5.926 3.352 1.00 0.00 O +ATOM 174 H GLY A 10 0.336 -5.769 0.474 1.00 0.00 H +ATOM 175 HA2 GLY A 10 1.286 -7.408 2.066 1.00 0.00 H +ATOM 176 HA3 GLY A 10 2.807 -7.329 1.179 1.00 0.00 H +ATOM 177 N GLY A 11 2.031 -4.376 2.219 1.00 0.00 N +ATOM 178 CA GLY A 11 2.470 -3.241 3.034 1.00 0.00 C +ATOM 179 C GLY A 11 4.000 -3.062 3.006 1.00 0.00 C +ATOM 180 O GLY A 11 4.575 -3.113 1.914 1.00 0.00 O +ATOM 181 H GLY A 11 1.469 -4.186 1.397 1.00 0.00 H +ATOM 182 HA2 GLY A 11 2.015 -2.334 2.636 1.00 0.00 H +ATOM 183 HA3 GLY A 11 2.114 -3.391 4.051 1.00 0.00 H +ATOM 184 N PRO A 12 4.686 -2.853 4.152 1.00 0.00 N +ATOM 185 CA PRO A 12 6.138 -2.627 4.199 1.00 0.00 C +ATOM 186 C PRO A 12 6.979 -3.705 3.499 1.00 0.00 C +ATOM 187 O PRO A 12 8.023 -3.398 2.928 1.00 0.00 O +ATOM 188 CB PRO A 12 6.504 -2.546 5.686 1.00 0.00 C +ATOM 189 CG PRO A 12 5.198 -2.156 6.370 1.00 0.00 C +ATOM 190 CD PRO A 12 4.133 -2.817 5.498 1.00 0.00 C +ATOM 191 HA PRO A 12 6.351 -1.666 3.730 1.00 0.00 H +ATOM 192 HB2 PRO A 12 6.853 -3.495 6.045 1.00 0.00 H +ATOM 193 HB3 PRO A 12 7.286 -1.807 5.866 1.00 0.00 H +ATOM 194 HG2 PRO A 12 5.162 -2.534 7.374 1.00 0.00 H +ATOM 195 HG3 PRO A 12 5.079 -1.073 6.340 1.00 0.00 H +ATOM 196 HD2 PRO A 12 3.931 -3.812 5.845 1.00 0.00 H +ATOM 197 HD3 PRO A 12 3.207 -2.241 5.544 1.00 0.00 H +ATOM 198 N SER A 13 6.508 -4.958 3.493 1.00 0.00 N +ATOM 199 CA SER A 13 7.189 -6.103 2.872 1.00 0.00 C +ATOM 200 C SER A 13 7.058 -6.147 1.336 1.00 0.00 C +ATOM 201 O SER A 13 7.435 -7.142 0.722 1.00 0.00 O +ATOM 202 CB SER A 13 6.693 -7.403 3.522 1.00 0.00 C +ATOM 203 OG SER A 13 7.056 -7.403 4.891 1.00 0.00 O +ATOM 204 H SER A 13 5.629 -5.143 3.955 1.00 0.00 H +ATOM 205 HA SER A 13 8.255 -6.026 3.087 1.00 0.00 H +ATOM 206 HB2 SER A 13 5.625 -7.465 3.433 1.00 0.00 H +ATOM 207 HB3 SER A 13 7.159 -8.260 3.034 1.00 0.00 H +ATOM 208 HG SER A 13 6.918 -8.284 5.253 1.00 0.00 H +ATOM 209 N SER A 14 6.545 -5.077 0.709 1.00 0.00 N +ATOM 210 CA SER A 14 6.283 -4.978 -0.737 1.00 0.00 C +ATOM 211 C SER A 14 7.371 -4.237 -1.526 1.00 0.00 C +ATOM 212 O SER A 14 7.218 -4.034 -2.732 1.00 0.00 O +ATOM 213 CB SER A 14 4.974 -4.222 -0.999 1.00 0.00 C +ATOM 214 OG SER A 14 3.964 -4.544 -0.082 1.00 0.00 O +ATOM 215 H SER A 14 6.237 -4.313 1.299 1.00 0.00 H +ATOM 216 HA SER A 14 6.178 -5.981 -1.151 1.00 0.00 H +ATOM 217 HB2 SER A 14 5.169 -3.169 -0.937 1.00 0.00 H +ATOM 218 HB3 SER A 14 4.638 -4.447 -2.011 1.00 0.00 H +ATOM 219 HG SER A 14 4.139 -4.000 0.726 1.00 0.00 H +ATOM 220 N GLY A 15 8.414 -3.725 -0.859 1.00 0.00 N +ATOM 221 CA GLY A 15 9.471 -2.894 -1.454 1.00 0.00 C +ATOM 222 C GLY A 15 9.041 -1.455 -1.795 1.00 0.00 C +ATOM 223 O GLY A 15 9.819 -0.525 -1.599 1.00 0.00 O +ATOM 224 H GLY A 15 8.450 -3.903 0.136 1.00 0.00 H +ATOM 225 HA2 GLY A 15 10.311 -2.842 -0.764 1.00 0.00 H +ATOM 226 HA3 GLY A 15 9.822 -3.367 -2.372 1.00 0.00 H +ATOM 227 N ARG A 16 7.814 -1.262 -2.297 1.00 0.00 N +ATOM 228 CA ARG A 16 7.226 0.051 -2.611 1.00 0.00 C +ATOM 229 C ARG A 16 6.816 0.830 -1.338 1.00 0.00 C +ATOM 230 O ARG A 16 6.195 0.243 -0.447 1.00 0.00 O +ATOM 231 CB ARG A 16 6.050 -0.120 -3.595 1.00 0.00 C +ATOM 232 CG ARG A 16 4.880 -0.960 -3.052 1.00 0.00 C +ATOM 233 CD ARG A 16 3.737 -1.115 -4.058 1.00 0.00 C +ATOM 234 NE ARG A 16 4.012 -2.181 -5.038 1.00 0.00 N +ATOM 235 CZ ARG A 16 3.322 -2.423 -6.147 1.00 0.00 C +ATOM 236 NH1 ARG A 16 2.338 -1.649 -6.533 1.00 0.00 N +ATOM 237 NH2 ARG A 16 3.618 -3.461 -6.892 1.00 0.00 N +ATOM 238 H ARG A 16 7.281 -2.107 -2.474 1.00 0.00 H +ATOM 239 HA ARG A 16 8.002 0.620 -3.123 1.00 0.00 H +ATOM 240 HB2 ARG A 16 5.676 0.855 -3.843 1.00 0.00 H +ATOM 241 HB3 ARG A 16 6.426 -0.587 -4.506 1.00 0.00 H +ATOM 242 HG2 ARG A 16 5.248 -1.936 -2.800 1.00 0.00 H +ATOM 243 HG3 ARG A 16 4.474 -0.469 -2.174 1.00 0.00 H +ATOM 244 HD2 ARG A 16 2.836 -1.356 -3.526 1.00 0.00 H +ATOM 245 HD3 ARG A 16 3.570 -0.162 -4.563 1.00 0.00 H +ATOM 246 HE ARG A 16 4.727 -2.848 -4.801 1.00 0.00 H +ATOM 247 HH11 ARG A 16 1.964 -1.052 -5.816 1.00 0.00 H +ATOM 248 HH12 ARG A 16 1.772 -1.893 -7.322 1.00 0.00 H +ATOM 249 HH21 ARG A 16 4.226 -4.165 -6.517 1.00 0.00 H +ATOM 250 HH22 ARG A 16 3.002 -3.699 -7.645 1.00 0.00 H +ATOM 251 N PRO A 17 7.097 2.147 -1.240 1.00 0.00 N +ATOM 252 CA PRO A 17 6.733 2.965 -0.077 1.00 0.00 C +ATOM 253 C PRO A 17 5.211 3.205 0.012 1.00 0.00 C +ATOM 254 O PRO A 17 4.514 3.057 -0.995 1.00 0.00 O +ATOM 255 CB PRO A 17 7.499 4.279 -0.266 1.00 0.00 C +ATOM 256 CG PRO A 17 7.601 4.413 -1.783 1.00 0.00 C +ATOM 257 CD PRO A 17 7.764 2.966 -2.245 1.00 0.00 C +ATOM 258 HA PRO A 17 7.073 2.472 0.834 1.00 0.00 H +ATOM 259 HB2 PRO A 17 6.958 5.103 0.157 1.00 0.00 H +ATOM 260 HB3 PRO A 17 8.500 4.183 0.158 1.00 0.00 H +ATOM 261 HG2 PRO A 17 6.711 4.851 -2.192 1.00 0.00 H +ATOM 262 HG3 PRO A 17 8.451 5.031 -2.080 1.00 0.00 H +ATOM 263 HD2 PRO A 17 7.305 2.827 -3.205 1.00 0.00 H +ATOM 264 HD3 PRO A 17 8.823 2.707 -2.277 1.00 0.00 H +ATOM 265 N PRO A 18 4.682 3.595 1.190 1.00 0.00 N +ATOM 266 CA PRO A 18 3.257 3.860 1.368 1.00 0.00 C +ATOM 267 C PRO A 18 2.815 5.129 0.616 1.00 0.00 C +ATOM 268 O PRO A 18 3.586 6.086 0.526 1.00 0.00 O +ATOM 269 CB PRO A 18 3.049 4.007 2.879 1.00 0.00 C +ATOM 270 CG PRO A 18 4.407 4.496 3.377 1.00 0.00 C +ATOM 271 CD PRO A 18 5.393 3.792 2.447 1.00 0.00 C +ATOM 272 HA PRO A 18 2.691 3.004 1.010 1.00 0.00 H +ATOM 273 HB2 PRO A 18 2.280 4.725 3.093 1.00 0.00 H +ATOM 274 HB3 PRO A 18 2.830 3.031 3.313 1.00 0.00 H +ATOM 275 HG2 PRO A 18 4.488 5.562 3.288 1.00 0.00 H +ATOM 276 HG3 PRO A 18 4.575 4.231 4.423 1.00 0.00 H +ATOM 277 HD2 PRO A 18 6.262 4.402 2.293 1.00 0.00 H +ATOM 278 HD3 PRO A 18 5.666 2.823 2.864 1.00 0.00 H +ATOM 279 N PRO A 19 1.564 5.179 0.116 1.00 0.00 N +ATOM 280 CA PRO A 19 1.048 6.326 -0.630 1.00 0.00 C +ATOM 281 C PRO A 19 0.603 7.495 0.262 1.00 0.00 C +ATOM 282 O PRO A 19 0.510 8.619 -0.227 1.00 0.00 O +ATOM 283 CB PRO A 19 -0.136 5.763 -1.415 1.00 0.00 C +ATOM 284 CG PRO A 19 -0.683 4.666 -0.501 1.00 0.00 C +ATOM 285 CD PRO A 19 0.585 4.100 0.134 1.00 0.00 C +ATOM 286 HA PRO A 19 1.801 6.695 -1.328 1.00 0.00 H +ATOM 287 HB2 PRO A 19 -0.875 6.521 -1.589 1.00 0.00 H +ATOM 288 HB3 PRO A 19 0.239 5.311 -2.333 1.00 0.00 H +ATOM 289 HG2 PRO A 19 -1.340 5.073 0.243 1.00 0.00 H +ATOM 290 HG3 PRO A 19 -1.221 3.904 -1.064 1.00 0.00 H +ATOM 291 HD2 PRO A 19 0.390 3.791 1.143 1.00 0.00 H +ATOM 292 HD3 PRO A 19 0.959 3.279 -0.477 1.00 0.00 H +ATOM 293 N SER A 20 0.367 7.228 1.556 1.00 0.00 N +ATOM 294 CA SER A 20 -0.233 8.139 2.544 1.00 0.00 C +ATOM 295 C SER A 20 -1.656 8.585 2.160 1.00 0.00 C +ATOM 296 O SER A 20 -2.384 7.708 1.628 1.00 0.00 O +ATOM 297 CB SER A 20 0.737 9.297 2.810 1.00 0.00 C +ATOM 298 OG SER A 20 0.750 9.605 4.190 1.00 0.00 O +ATOM 299 OXT SER A 20 -2.026 9.739 2.451 1.00 0.00 O +ATOM 300 H SER A 20 0.453 6.262 1.817 1.00 0.00 H +ATOM 301 HA SER A 20 -0.350 7.592 3.476 1.00 0.00 H +ATOM 302 HB2 SER A 20 1.724 9.013 2.499 1.00 0.00 H +ATOM 303 HB3 SER A 20 0.448 10.165 2.214 1.00 0.00 H +ATOM 304 HG SER A 20 0.692 10.559 4.282 1.00 0.00 H +TER 305 SER A 20 +ENDMDL +MODEL 7 +ATOM 1 N ASN A 1 -8.903 5.528 -0.196 1.00 0.00 N +ATOM 2 CA ASN A 1 -7.549 5.998 -0.581 1.00 0.00 C +ATOM 3 C ASN A 1 -6.760 4.831 -1.189 1.00 0.00 C +ATOM 4 O ASN A 1 -7.247 3.705 -1.144 1.00 0.00 O +ATOM 5 CB ASN A 1 -6.831 6.647 0.620 1.00 0.00 C +ATOM 6 CG ASN A 1 -5.684 7.538 0.154 1.00 0.00 C +ATOM 7 OD1 ASN A 1 -4.583 7.063 -0.078 1.00 0.00 O +ATOM 8 ND2 ASN A 1 -5.924 8.815 -0.078 1.00 0.00 N +ATOM 9 H1 ASN A 1 -9.364 5.129 -1.005 1.00 0.00 H +ATOM 10 H2 ASN A 1 -8.821 4.800 0.502 1.00 0.00 H +ATOM 11 H3 ASN A 1 -9.457 6.290 0.168 1.00 0.00 H +ATOM 12 HA ASN A 1 -7.661 6.757 -1.358 1.00 0.00 H +ATOM 13 HB2 ASN A 1 -7.535 7.240 1.171 1.00 0.00 H +ATOM 14 HB3 ASN A 1 -6.437 5.876 1.282 1.00 0.00 H +ATOM 15 HD21 ASN A 1 -6.803 9.269 0.111 1.00 0.00 H +ATOM 16 HD22 ASN A 1 -5.123 9.345 -0.388 1.00 0.00 H +ATOM 17 N LEU A 2 -5.566 5.065 -1.745 1.00 0.00 N +ATOM 18 CA LEU A 2 -4.705 4.017 -2.308 1.00 0.00 C +ATOM 19 C LEU A 2 -4.063 3.108 -1.244 1.00 0.00 C +ATOM 20 O LEU A 2 -3.570 2.036 -1.587 1.00 0.00 O +ATOM 21 CB LEU A 2 -3.636 4.665 -3.218 1.00 0.00 C +ATOM 22 CG LEU A 2 -3.984 4.537 -4.715 1.00 0.00 C +ATOM 23 CD1 LEU A 2 -3.137 5.490 -5.557 1.00 0.00 C +ATOM 24 CD2 LEU A 2 -3.737 3.110 -5.216 1.00 0.00 C +ATOM 25 H LEU A 2 -5.153 5.991 -1.653 1.00 0.00 H +ATOM 26 HA LEU A 2 -5.332 3.363 -2.913 1.00 0.00 H +ATOM 27 HB2 LEU A 2 -3.557 5.706 -2.970 1.00 0.00 H +ATOM 28 HB3 LEU A 2 -2.666 4.195 -3.051 1.00 0.00 H +ATOM 29 HG LEU A 2 -5.035 4.787 -4.864 1.00 0.00 H +ATOM 30 HD11 LEU A 2 -3.377 6.522 -5.297 1.00 0.00 H +ATOM 31 HD12 LEU A 2 -2.077 5.308 -5.382 1.00 0.00 H +ATOM 32 HD13 LEU A 2 -3.356 5.339 -6.615 1.00 0.00 H +ATOM 33 HD21 LEU A 2 -2.687 2.842 -5.096 1.00 0.00 H +ATOM 34 HD22 LEU A 2 -4.350 2.412 -4.658 1.00 0.00 H +ATOM 35 HD23 LEU A 2 -4.007 3.032 -6.270 1.00 0.00 H +ATOM 36 N TYR A 3 -4.102 3.487 0.042 1.00 0.00 N +ATOM 37 CA TYR A 3 -3.503 2.730 1.149 1.00 0.00 C +ATOM 38 C TYR A 3 -3.977 1.265 1.216 1.00 0.00 C +ATOM 39 O TYR A 3 -3.168 0.369 1.448 1.00 0.00 O +ATOM 40 CB TYR A 3 -3.768 3.466 2.474 1.00 0.00 C +ATOM 41 CG TYR A 3 -2.672 3.279 3.509 1.00 0.00 C +ATOM 42 CD1 TYR A 3 -2.536 2.057 4.196 1.00 0.00 C +ATOM 43 CD2 TYR A 3 -1.783 4.339 3.784 1.00 0.00 C +ATOM 44 CE1 TYR A 3 -1.523 1.895 5.162 1.00 0.00 C +ATOM 45 CE2 TYR A 3 -0.765 4.177 4.741 1.00 0.00 C +ATOM 46 CZ TYR A 3 -0.640 2.961 5.441 1.00 0.00 C +ATOM 47 OH TYR A 3 0.309 2.837 6.407 1.00 0.00 O +ATOM 48 H TYR A 3 -4.453 4.414 0.232 1.00 0.00 H +ATOM 49 HA TYR A 3 -2.424 2.713 0.990 1.00 0.00 H +ATOM 50 HB2 TYR A 3 -3.861 4.514 2.266 1.00 0.00 H +ATOM 51 HB3 TYR A 3 -4.720 3.136 2.894 1.00 0.00 H +ATOM 52 HD1 TYR A 3 -3.211 1.241 3.988 1.00 0.00 H +ATOM 53 HD2 TYR A 3 -1.890 5.287 3.275 1.00 0.00 H +ATOM 54 HE1 TYR A 3 -1.418 0.959 5.689 1.00 0.00 H +ATOM 55 HE2 TYR A 3 -0.083 4.982 4.975 1.00 0.00 H +ATOM 56 HH TYR A 3 0.037 2.243 7.107 1.00 0.00 H +ATOM 57 N ILE A 4 -5.269 1.004 0.959 1.00 0.00 N +ATOM 58 CA ILE A 4 -5.833 -0.356 0.888 1.00 0.00 C +ATOM 59 C ILE A 4 -5.161 -1.164 -0.238 1.00 0.00 C +ATOM 60 O ILE A 4 -4.772 -2.318 -0.049 1.00 0.00 O +ATOM 61 CB ILE A 4 -7.371 -0.313 0.696 1.00 0.00 C +ATOM 62 CG1 ILE A 4 -8.110 0.552 1.752 1.00 0.00 C +ATOM 63 CG2 ILE A 4 -7.954 -1.737 0.753 1.00 0.00 C +ATOM 64 CD1 ILE A 4 -8.509 1.938 1.232 1.00 0.00 C +ATOM 65 H ILE A 4 -5.872 1.790 0.762 1.00 0.00 H +ATOM 66 HA ILE A 4 -5.619 -0.864 1.831 1.00 0.00 H +ATOM 67 HB ILE A 4 -7.587 0.085 -0.297 1.00 0.00 H +ATOM 68 HG12 ILE A 4 -8.999 0.033 2.055 1.00 0.00 H +ATOM 69 HG13 ILE A 4 -7.496 0.664 2.647 1.00 0.00 H +ATOM 70 HG21 ILE A 4 -7.517 -2.368 -0.021 1.00 0.00 H +ATOM 71 HG22 ILE A 4 -7.761 -2.183 1.729 1.00 0.00 H +ATOM 72 HG23 ILE A 4 -9.031 -1.704 0.581 1.00 0.00 H +ATOM 73 HD11 ILE A 4 -7.626 2.563 1.121 1.00 0.00 H +ATOM 74 HD12 ILE A 4 -9.024 1.846 0.274 1.00 0.00 H +ATOM 75 HD13 ILE A 4 -9.188 2.410 1.945 1.00 0.00 H +ATOM 76 N GLN A 5 -5.003 -0.544 -1.411 1.00 0.00 N +ATOM 77 CA GLN A 5 -4.375 -1.125 -2.597 1.00 0.00 C +ATOM 78 C GLN A 5 -2.869 -1.353 -2.405 1.00 0.00 C +ATOM 79 O GLN A 5 -2.354 -2.357 -2.886 1.00 0.00 O +ATOM 80 CB GLN A 5 -4.661 -0.216 -3.809 1.00 0.00 C +ATOM 81 CG GLN A 5 -5.379 -0.927 -4.966 1.00 0.00 C +ATOM 82 CD GLN A 5 -4.417 -1.485 -6.011 1.00 0.00 C +ATOM 83 OE1 GLN A 5 -4.226 -0.906 -7.068 1.00 0.00 O +ATOM 84 NE2 GLN A 5 -3.781 -2.614 -5.772 1.00 0.00 N +ATOM 85 H GLN A 5 -5.256 0.433 -1.455 1.00 0.00 H +ATOM 86 HA GLN A 5 -4.826 -2.102 -2.768 1.00 0.00 H +ATOM 87 HB2 GLN A 5 -5.275 0.600 -3.481 1.00 0.00 H +ATOM 88 HB3 GLN A 5 -3.731 0.222 -4.174 1.00 0.00 H +ATOM 89 HG2 GLN A 5 -5.955 -1.738 -4.564 1.00 0.00 H +ATOM 90 HG3 GLN A 5 -6.017 -0.197 -5.466 1.00 0.00 H +ATOM 91 HE21 GLN A 5 -3.799 -3.091 -4.886 1.00 0.00 H +ATOM 92 HE22 GLN A 5 -3.166 -2.885 -6.520 1.00 0.00 H +ATOM 93 N TRP A 6 -2.181 -0.471 -1.666 1.00 0.00 N +ATOM 94 CA TRP A 6 -0.803 -0.688 -1.216 1.00 0.00 C +ATOM 95 C TRP A 6 -0.702 -1.871 -0.236 1.00 0.00 C +ATOM 96 O TRP A 6 0.137 -2.753 -0.420 1.00 0.00 O +ATOM 97 CB TRP A 6 -0.253 0.612 -0.609 1.00 0.00 C +ATOM 98 CG TRP A 6 1.148 0.524 -0.079 1.00 0.00 C +ATOM 99 CD1 TRP A 6 2.275 0.502 -0.828 1.00 0.00 C +ATOM 100 CD2 TRP A 6 1.590 0.428 1.311 1.00 0.00 C +ATOM 101 NE1 TRP A 6 3.377 0.391 0.000 1.00 0.00 N +ATOM 102 CE2 TRP A 6 3.013 0.346 1.324 1.00 0.00 C +ATOM 103 CE3 TRP A 6 0.937 0.410 2.563 1.00 0.00 C +ATOM 104 CZ2 TRP A 6 3.756 0.265 2.509 1.00 0.00 C +ATOM 105 CZ3 TRP A 6 1.672 0.321 3.762 1.00 0.00 C +ATOM 106 CH2 TRP A 6 3.077 0.254 3.738 1.00 0.00 C +ATOM 107 H TRP A 6 -2.666 0.378 -1.389 1.00 0.00 H +ATOM 108 HA TRP A 6 -0.189 -0.942 -2.080 1.00 0.00 H +ATOM 109 HB2 TRP A 6 -0.274 1.369 -1.369 1.00 0.00 H +ATOM 110 HB3 TRP A 6 -0.902 0.932 0.205 1.00 0.00 H +ATOM 111 HD1 TRP A 6 2.303 0.552 -1.909 1.00 0.00 H +ATOM 112 HE1 TRP A 6 4.354 0.366 -0.301 1.00 0.00 H +ATOM 113 HE3 TRP A 6 -0.141 0.482 2.594 1.00 0.00 H +ATOM 114 HZ2 TRP A 6 4.833 0.212 2.461 1.00 0.00 H +ATOM 115 HZ3 TRP A 6 1.154 0.320 4.711 1.00 0.00 H +ATOM 116 HH2 TRP A 6 3.633 0.202 4.663 1.00 0.00 H +ATOM 117 N LEU A 7 -1.584 -1.939 0.773 1.00 0.00 N +ATOM 118 CA LEU A 7 -1.618 -3.061 1.719 1.00 0.00 C +ATOM 119 C LEU A 7 -1.896 -4.418 1.055 1.00 0.00 C +ATOM 120 O LEU A 7 -1.383 -5.420 1.551 1.00 0.00 O +ATOM 121 CB LEU A 7 -2.638 -2.803 2.843 1.00 0.00 C +ATOM 122 CG LEU A 7 -2.158 -1.828 3.935 1.00 0.00 C +ATOM 123 CD1 LEU A 7 -3.332 -1.509 4.865 1.00 0.00 C +ATOM 124 CD2 LEU A 7 -1.029 -2.411 4.793 1.00 0.00 C +ATOM 125 H LEU A 7 -2.238 -1.169 0.902 1.00 0.00 H +ATOM 126 HA LEU A 7 -0.625 -3.152 2.159 1.00 0.00 H +ATOM 127 HB2 LEU A 7 -3.528 -2.398 2.401 1.00 0.00 H +ATOM 128 HB3 LEU A 7 -2.875 -3.753 3.326 1.00 0.00 H +ATOM 129 HG LEU A 7 -1.813 -0.903 3.475 1.00 0.00 H +ATOM 130 HD11 LEU A 7 -4.138 -1.046 4.295 1.00 0.00 H +ATOM 131 HD12 LEU A 7 -3.701 -2.424 5.328 1.00 0.00 H +ATOM 132 HD13 LEU A 7 -3.014 -0.822 5.647 1.00 0.00 H +ATOM 133 HD21 LEU A 7 -1.366 -3.322 5.290 1.00 0.00 H +ATOM 134 HD22 LEU A 7 -0.162 -2.644 4.181 1.00 0.00 H +ATOM 135 HD23 LEU A 7 -0.726 -1.685 5.547 1.00 0.00 H +ATOM 136 N LYS A 8 -2.649 -4.469 -0.060 1.00 0.00 N +ATOM 137 CA LYS A 8 -2.926 -5.712 -0.805 1.00 0.00 C +ATOM 138 C LYS A 8 -1.673 -6.493 -1.213 1.00 0.00 C +ATOM 139 O LYS A 8 -1.747 -7.718 -1.261 1.00 0.00 O +ATOM 140 CB LYS A 8 -3.745 -5.435 -2.077 1.00 0.00 C +ATOM 141 CG LYS A 8 -5.245 -5.187 -1.834 1.00 0.00 C +ATOM 142 CD LYS A 8 -6.112 -6.160 -2.652 1.00 0.00 C +ATOM 143 CE LYS A 8 -6.013 -7.607 -2.144 1.00 0.00 C +ATOM 144 NZ LYS A 8 -6.775 -7.803 -0.889 1.00 0.00 N +ATOM 145 H LYS A 8 -3.091 -3.603 -0.351 1.00 0.00 H +ATOM 146 HA LYS A 8 -3.486 -6.385 -0.157 1.00 0.00 H +ATOM 147 HB2 LYS A 8 -3.336 -4.566 -2.556 1.00 0.00 H +ATOM 148 HB3 LYS A 8 -3.629 -6.287 -2.748 1.00 0.00 H +ATOM 149 HG2 LYS A 8 -5.457 -5.322 -0.791 1.00 0.00 H +ATOM 150 HG3 LYS A 8 -5.483 -4.171 -2.145 1.00 0.00 H +ATOM 151 HD2 LYS A 8 -7.135 -5.843 -2.591 1.00 0.00 H +ATOM 152 HD3 LYS A 8 -5.787 -6.129 -3.694 1.00 0.00 H +ATOM 153 HE2 LYS A 8 -6.405 -8.266 -2.895 1.00 0.00 H +ATOM 154 HE3 LYS A 8 -4.957 -7.857 -1.989 1.00 0.00 H +ATOM 155 HZ1 LYS A 8 -6.431 -7.175 -0.174 1.00 0.00 H +ATOM 156 HZ2 LYS A 8 -7.755 -7.610 -1.046 1.00 0.00 H +ATOM 157 HZ3 LYS A 8 -6.676 -8.755 -0.564 1.00 0.00 H +ATOM 158 N ASP A 9 -0.575 -5.806 -1.542 1.00 0.00 N +ATOM 159 CA ASP A 9 0.679 -6.439 -1.960 1.00 0.00 C +ATOM 160 C ASP A 9 1.407 -7.073 -0.759 1.00 0.00 C +ATOM 161 O ASP A 9 1.771 -8.246 -0.798 1.00 0.00 O +ATOM 162 CB ASP A 9 1.529 -5.384 -2.684 1.00 0.00 C +ATOM 163 CG ASP A 9 2.629 -6.016 -3.539 1.00 0.00 C +ATOM 164 OD1 ASP A 9 3.661 -6.415 -2.960 1.00 0.00 O +ATOM 165 OD2 ASP A 9 2.415 -6.083 -4.770 1.00 0.00 O +ATOM 166 H ASP A 9 -0.608 -4.796 -1.483 1.00 0.00 H +ATOM 167 HA ASP A 9 0.451 -7.236 -2.670 1.00 0.00 H +ATOM 168 HB2 ASP A 9 0.890 -4.801 -3.319 1.00 0.00 H +ATOM 169 HB3 ASP A 9 1.960 -4.694 -1.962 1.00 0.00 H +ATOM 170 N GLY A 10 1.538 -6.316 0.338 1.00 0.00 N +ATOM 171 CA GLY A 10 2.154 -6.771 1.590 1.00 0.00 C +ATOM 172 C GLY A 10 2.656 -5.655 2.516 1.00 0.00 C +ATOM 173 O GLY A 10 3.600 -5.875 3.278 1.00 0.00 O +ATOM 174 H GLY A 10 1.219 -5.364 0.236 1.00 0.00 H +ATOM 175 HA2 GLY A 10 1.421 -7.360 2.140 1.00 0.00 H +ATOM 176 HA3 GLY A 10 2.998 -7.420 1.354 1.00 0.00 H +ATOM 177 N GLY A 11 2.069 -4.451 2.456 1.00 0.00 N +ATOM 178 CA GLY A 11 2.511 -3.295 3.240 1.00 0.00 C +ATOM 179 C GLY A 11 4.009 -2.997 3.049 1.00 0.00 C +ATOM 180 O GLY A 11 4.473 -2.994 1.904 1.00 0.00 O +ATOM 181 H GLY A 11 1.299 -4.330 1.814 1.00 0.00 H +ATOM 182 HA2 GLY A 11 1.950 -2.415 2.922 1.00 0.00 H +ATOM 183 HA3 GLY A 11 2.285 -3.490 4.287 1.00 0.00 H +ATOM 184 N PRO A 12 4.798 -2.757 4.119 1.00 0.00 N +ATOM 185 CA PRO A 12 6.237 -2.490 4.008 1.00 0.00 C +ATOM 186 C PRO A 12 7.033 -3.579 3.271 1.00 0.00 C +ATOM 187 O PRO A 12 8.035 -3.275 2.626 1.00 0.00 O +ATOM 188 CB PRO A 12 6.745 -2.333 5.447 1.00 0.00 C +ATOM 189 CG PRO A 12 5.496 -1.973 6.248 1.00 0.00 C +ATOM 190 CD PRO A 12 4.382 -2.715 5.512 1.00 0.00 C +ATOM 191 HA PRO A 12 6.371 -1.546 3.479 1.00 0.00 H +ATOM 192 HB2 PRO A 12 7.173 -3.251 5.802 1.00 0.00 H +ATOM 193 HB3 PRO A 12 7.505 -1.553 5.517 1.00 0.00 H +ATOM 194 HG2 PRO A 12 5.579 -2.312 7.263 1.00 0.00 H +ATOM 195 HG3 PRO A 12 5.320 -0.898 6.189 1.00 0.00 H +ATOM 196 HD2 PRO A 12 4.273 -3.709 5.901 1.00 0.00 H +ATOM 197 HD3 PRO A 12 3.437 -2.188 5.641 1.00 0.00 H +ATOM 198 N SER A 13 6.580 -4.841 3.318 1.00 0.00 N +ATOM 199 CA SER A 13 7.226 -5.980 2.655 1.00 0.00 C +ATOM 200 C SER A 13 6.995 -6.022 1.132 1.00 0.00 C +ATOM 201 O SER A 13 7.473 -6.945 0.480 1.00 0.00 O +ATOM 202 CB SER A 13 6.775 -7.286 3.323 1.00 0.00 C +ATOM 203 OG SER A 13 7.214 -7.315 4.671 1.00 0.00 O +ATOM 204 H SER A 13 5.719 -5.035 3.818 1.00 0.00 H +ATOM 205 HA SER A 13 8.303 -5.894 2.797 1.00 0.00 H +ATOM 206 HB2 SER A 13 5.704 -7.348 3.296 1.00 0.00 H +ATOM 207 HB3 SER A 13 7.200 -8.143 2.797 1.00 0.00 H +ATOM 208 HG SER A 13 8.172 -7.390 4.683 1.00 0.00 H +ATOM 209 N SER A 14 6.312 -5.020 0.559 1.00 0.00 N +ATOM 210 CA SER A 14 6.003 -4.909 -0.880 1.00 0.00 C +ATOM 211 C SER A 14 7.153 -4.342 -1.729 1.00 0.00 C +ATOM 212 O SER A 14 7.036 -4.271 -2.950 1.00 0.00 O +ATOM 213 CB SER A 14 4.797 -3.981 -1.103 1.00 0.00 C +ATOM 214 OG SER A 14 3.761 -4.194 -0.169 1.00 0.00 O +ATOM 215 H SER A 14 5.943 -4.308 1.175 1.00 0.00 H +ATOM 216 HA SER A 14 5.743 -5.896 -1.266 1.00 0.00 H +ATOM 217 HB2 SER A 14 5.128 -2.964 -1.021 1.00 0.00 H +ATOM 218 HB3 SER A 14 4.414 -4.137 -2.112 1.00 0.00 H +ATOM 219 HG SER A 14 4.006 -3.709 0.659 1.00 0.00 H +ATOM 220 N GLY A 15 8.240 -3.857 -1.110 1.00 0.00 N +ATOM 221 CA GLY A 15 9.347 -3.207 -1.825 1.00 0.00 C +ATOM 222 C GLY A 15 9.072 -1.761 -2.273 1.00 0.00 C +ATOM 223 O GLY A 15 9.838 -1.222 -3.067 1.00 0.00 O +ATOM 224 H GLY A 15 8.290 -3.959 -0.106 1.00 0.00 H +ATOM 225 HA2 GLY A 15 10.231 -3.198 -1.187 1.00 0.00 H +ATOM 226 HA3 GLY A 15 9.588 -3.789 -2.715 1.00 0.00 H +ATOM 227 N ARG A 16 7.994 -1.127 -1.781 1.00 0.00 N +ATOM 228 CA ARG A 16 7.572 0.231 -2.153 1.00 0.00 C +ATOM 229 C ARG A 16 6.983 0.981 -0.944 1.00 0.00 C +ATOM 230 O ARG A 16 6.181 0.382 -0.224 1.00 0.00 O +ATOM 231 CB ARG A 16 6.533 0.117 -3.285 1.00 0.00 C +ATOM 232 CG ARG A 16 6.200 1.481 -3.901 1.00 0.00 C +ATOM 233 CD ARG A 16 5.147 1.363 -5.008 1.00 0.00 C +ATOM 234 NE ARG A 16 5.045 2.615 -5.780 1.00 0.00 N +ATOM 235 CZ ARG A 16 4.495 3.765 -5.404 1.00 0.00 C +ATOM 236 NH1 ARG A 16 3.939 3.937 -4.225 1.00 0.00 N +ATOM 237 NH2 ARG A 16 4.510 4.784 -6.232 1.00 0.00 N +ATOM 238 H ARG A 16 7.425 -1.634 -1.117 1.00 0.00 H +ATOM 239 HA ARG A 16 8.445 0.765 -2.527 1.00 0.00 H +ATOM 240 HB2 ARG A 16 6.925 -0.523 -4.052 1.00 0.00 H +ATOM 241 HB3 ARG A 16 5.621 -0.343 -2.899 1.00 0.00 H +ATOM 242 HG2 ARG A 16 5.824 2.127 -3.131 1.00 0.00 H +ATOM 243 HG3 ARG A 16 7.111 1.904 -4.324 1.00 0.00 H +ATOM 244 HD2 ARG A 16 5.422 0.565 -5.670 1.00 0.00 H +ATOM 245 HD3 ARG A 16 4.180 1.105 -4.573 1.00 0.00 H +ATOM 246 HE ARG A 16 5.452 2.594 -6.699 1.00 0.00 H +ATOM 247 HH11 ARG A 16 3.987 3.199 -3.541 1.00 0.00 H +ATOM 248 HH12 ARG A 16 3.537 4.819 -3.965 1.00 0.00 H +ATOM 249 HH21 ARG A 16 4.943 4.701 -7.136 1.00 0.00 H +ATOM 250 HH22 ARG A 16 4.103 5.659 -5.956 1.00 0.00 H +ATOM 251 N PRO A 17 7.298 2.279 -0.734 1.00 0.00 N +ATOM 252 CA PRO A 17 6.723 3.073 0.357 1.00 0.00 C +ATOM 253 C PRO A 17 5.203 3.301 0.202 1.00 0.00 C +ATOM 254 O PRO A 17 4.670 3.166 -0.908 1.00 0.00 O +ATOM 255 CB PRO A 17 7.497 4.399 0.343 1.00 0.00 C +ATOM 256 CG PRO A 17 7.943 4.539 -1.109 1.00 0.00 C +ATOM 257 CD PRO A 17 8.231 3.093 -1.505 1.00 0.00 C +ATOM 258 HA PRO A 17 6.912 2.560 1.300 1.00 0.00 H +ATOM 259 HB2 PRO A 17 6.863 5.216 0.629 1.00 0.00 H +ATOM 260 HB3 PRO A 17 8.374 4.317 0.985 1.00 0.00 H +ATOM 261 HG2 PRO A 17 7.164 4.960 -1.715 1.00 0.00 H +ATOM 262 HG3 PRO A 17 8.827 5.172 -1.206 1.00 0.00 H +ATOM 263 HD2 PRO A 17 8.069 2.954 -2.556 1.00 0.00 H +ATOM 264 HD3 PRO A 17 9.253 2.834 -1.225 1.00 0.00 H +ATOM 265 N PRO A 18 4.505 3.662 1.301 1.00 0.00 N +ATOM 266 CA PRO A 18 3.065 3.925 1.293 1.00 0.00 C +ATOM 267 C PRO A 18 2.700 5.218 0.535 1.00 0.00 C +ATOM 268 O PRO A 18 3.563 6.066 0.303 1.00 0.00 O +ATOM 269 CB PRO A 18 2.661 4.003 2.774 1.00 0.00 C +ATOM 270 CG PRO A 18 3.933 4.476 3.472 1.00 0.00 C +ATOM 271 CD PRO A 18 5.039 3.819 2.649 1.00 0.00 C +ATOM 272 HA PRO A 18 2.557 3.083 0.827 1.00 0.00 H +ATOM 273 HB2 PRO A 18 1.863 4.706 2.916 1.00 0.00 H +ATOM 274 HB3 PRO A 18 2.402 3.008 3.132 1.00 0.00 H +ATOM 275 HG2 PRO A 18 4.014 5.546 3.443 1.00 0.00 H +ATOM 276 HG3 PRO A 18 3.962 4.161 4.516 1.00 0.00 H +ATOM 277 HD2 PRO A 18 5.912 4.443 2.633 1.00 0.00 H +ATOM 278 HD3 PRO A 18 5.271 2.838 3.065 1.00 0.00 H +ATOM 279 N PRO A 19 1.420 5.389 0.147 1.00 0.00 N +ATOM 280 CA PRO A 19 0.934 6.590 -0.541 1.00 0.00 C +ATOM 281 C PRO A 19 0.630 7.773 0.396 1.00 0.00 C +ATOM 282 O PRO A 19 0.546 8.904 -0.075 1.00 0.00 O +ATOM 283 CB PRO A 19 -0.347 6.136 -1.247 1.00 0.00 C +ATOM 284 CG PRO A 19 -0.893 5.051 -0.317 1.00 0.00 C +ATOM 285 CD PRO A 19 0.371 4.378 0.209 1.00 0.00 C +ATOM 286 HA PRO A 19 1.659 6.921 -1.282 1.00 0.00 H +ATOM 287 HB2 PRO A 19 -1.043 6.948 -1.342 1.00 0.00 H +ATOM 288 HB3 PRO A 19 -0.093 5.696 -2.212 1.00 0.00 H +ATOM 289 HG2 PRO A 19 -1.462 5.481 0.484 1.00 0.00 H +ATOM 290 HG3 PRO A 19 -1.521 4.344 -0.854 1.00 0.00 H +ATOM 291 HD2 PRO A 19 0.226 4.052 1.221 1.00 0.00 H +ATOM 292 HD3 PRO A 19 0.641 3.547 -0.443 1.00 0.00 H +ATOM 293 N SER A 20 0.436 7.512 1.697 1.00 0.00 N +ATOM 294 CA SER A 20 0.332 8.504 2.776 1.00 0.00 C +ATOM 295 C SER A 20 1.687 8.700 3.451 1.00 0.00 C +ATOM 296 O SER A 20 2.070 9.878 3.606 1.00 0.00 O +ATOM 297 CB SER A 20 -0.673 8.043 3.830 1.00 0.00 C +ATOM 298 OG SER A 20 -1.935 7.948 3.212 1.00 0.00 O +ATOM 299 OXT SER A 20 2.277 7.664 3.828 1.00 0.00 O +ATOM 300 H SER A 20 0.578 6.559 1.993 1.00 0.00 H +ATOM 301 HA SER A 20 0.032 9.475 2.381 1.00 0.00 H +ATOM 302 HB2 SER A 20 -0.383 7.085 4.216 1.00 0.00 H +ATOM 303 HB3 SER A 20 -0.705 8.762 4.652 1.00 0.00 H +ATOM 304 HG SER A 20 -1.800 8.230 2.302 1.00 0.00 H +TER 305 SER A 20 +ENDMDL +MODEL 8 +ATOM 1 N ASN A 1 -8.769 4.941 0.058 1.00 0.00 N +ATOM 2 CA ASN A 1 -8.628 3.743 -0.810 1.00 0.00 C +ATOM 3 C ASN A 1 -7.194 3.417 -1.223 1.00 0.00 C +ATOM 4 O ASN A 1 -6.825 2.255 -1.104 1.00 0.00 O +ATOM 5 CB ASN A 1 -9.576 3.798 -2.012 1.00 0.00 C +ATOM 6 CG ASN A 1 -10.980 3.563 -1.485 1.00 0.00 C +ATOM 7 OD1 ASN A 1 -11.581 4.475 -0.943 1.00 0.00 O +ATOM 8 ND2 ASN A 1 -11.465 2.335 -1.495 1.00 0.00 N +ATOM 9 H1 ASN A 1 -8.177 4.864 0.873 1.00 0.00 H +ATOM 10 H2 ASN A 1 -8.539 5.782 -0.450 1.00 0.00 H +ATOM 11 H3 ASN A 1 -9.736 5.016 0.359 1.00 0.00 H +ATOM 12 HA ASN A 1 -8.940 2.881 -0.218 1.00 0.00 H +ATOM 13 HB2 ASN A 1 -9.516 4.760 -2.484 1.00 0.00 H +ATOM 14 HB3 ASN A 1 -9.322 3.021 -2.735 1.00 0.00 H +ATOM 15 HD21 ASN A 1 -10.980 1.548 -1.895 1.00 0.00 H +ATOM 16 HD22 ASN A 1 -12.387 2.236 -1.101 1.00 0.00 H +ATOM 17 N LEU A 2 -6.386 4.385 -1.677 1.00 0.00 N +ATOM 18 CA LEU A 2 -4.979 4.182 -2.071 1.00 0.00 C +ATOM 19 C LEU A 2 -4.170 3.301 -1.091 1.00 0.00 C +ATOM 20 O LEU A 2 -3.510 2.351 -1.513 1.00 0.00 O +ATOM 21 CB LEU A 2 -4.298 5.547 -2.330 1.00 0.00 C +ATOM 22 CG LEU A 2 -4.562 6.652 -1.277 1.00 0.00 C +ATOM 23 CD1 LEU A 2 -3.311 7.480 -1.001 1.00 0.00 C +ATOM 24 CD2 LEU A 2 -5.661 7.624 -1.728 1.00 0.00 C +ATOM 25 H LEU A 2 -6.742 5.314 -1.830 1.00 0.00 H +ATOM 26 HA LEU A 2 -4.973 3.640 -3.018 1.00 0.00 H +ATOM 27 HB2 LEU A 2 -3.239 5.382 -2.373 1.00 0.00 H +ATOM 28 HB3 LEU A 2 -4.613 5.914 -3.308 1.00 0.00 H +ATOM 29 HG LEU A 2 -4.870 6.194 -0.336 1.00 0.00 H +ATOM 30 HD11 LEU A 2 -2.556 6.855 -0.534 1.00 0.00 H +ATOM 31 HD12 LEU A 2 -2.907 7.891 -1.928 1.00 0.00 H +ATOM 32 HD13 LEU A 2 -3.544 8.302 -0.323 1.00 0.00 H +ATOM 33 HD21 LEU A 2 -5.277 8.270 -2.519 1.00 0.00 H +ATOM 34 HD22 LEU A 2 -6.532 7.099 -2.108 1.00 0.00 H +ATOM 35 HD23 LEU A 2 -5.957 8.251 -0.887 1.00 0.00 H +ATOM 36 N TYR A 3 -4.272 3.566 0.214 1.00 0.00 N +ATOM 37 CA TYR A 3 -3.591 2.791 1.257 1.00 0.00 C +ATOM 38 C TYR A 3 -4.035 1.316 1.320 1.00 0.00 C +ATOM 39 O TYR A 3 -3.216 0.439 1.587 1.00 0.00 O +ATOM 40 CB TYR A 3 -3.809 3.489 2.607 1.00 0.00 C +ATOM 41 CG TYR A 3 -2.680 3.265 3.592 1.00 0.00 C +ATOM 42 CD1 TYR A 3 -2.635 2.094 4.373 1.00 0.00 C +ATOM 43 CD2 TYR A 3 -1.676 4.243 3.732 1.00 0.00 C +ATOM 44 CE1 TYR A 3 -1.601 1.916 5.312 1.00 0.00 C +ATOM 45 CE2 TYR A 3 -0.650 4.078 4.679 1.00 0.00 C +ATOM 46 CZ TYR A 3 -0.618 2.916 5.478 1.00 0.00 C +ATOM 47 OH TYR A 3 0.344 2.765 6.428 1.00 0.00 O +ATOM 48 H TYR A 3 -4.793 4.381 0.493 1.00 0.00 H +ATOM 49 HA TYR A 3 -2.522 2.805 1.039 1.00 0.00 H +ATOM 50 HB2 TYR A 3 -3.904 4.544 2.433 1.00 0.00 H +ATOM 51 HB3 TYR A 3 -4.748 3.153 3.047 1.00 0.00 H +ATOM 52 HD1 TYR A 3 -3.397 1.337 4.260 1.00 0.00 H +ATOM 53 HD2 TYR A 3 -1.691 5.139 3.130 1.00 0.00 H +ATOM 54 HE1 TYR A 3 -1.558 1.031 5.929 1.00 0.00 H +ATOM 55 HE2 TYR A 3 0.099 4.851 4.791 1.00 0.00 H +ATOM 56 HH TYR A 3 0.794 3.595 6.593 1.00 0.00 H +ATOM 57 N ILE A 4 -5.312 1.025 1.029 1.00 0.00 N +ATOM 58 CA ILE A 4 -5.855 -0.341 0.979 1.00 0.00 C +ATOM 59 C ILE A 4 -5.188 -1.123 -0.163 1.00 0.00 C +ATOM 60 O ILE A 4 -4.740 -2.254 0.031 1.00 0.00 O +ATOM 61 CB ILE A 4 -7.398 -0.328 0.820 1.00 0.00 C +ATOM 62 CG1 ILE A 4 -8.143 0.621 1.794 1.00 0.00 C +ATOM 63 CG2 ILE A 4 -7.976 -1.749 0.938 1.00 0.00 C +ATOM 64 CD1 ILE A 4 -7.792 0.462 3.281 1.00 0.00 C +ATOM 65 H ILE A 4 -5.901 1.775 0.693 1.00 0.00 H +ATOM 66 HA ILE A 4 -5.609 -0.846 1.915 1.00 0.00 H +ATOM 67 HB ILE A 4 -7.635 0.015 -0.186 1.00 0.00 H +ATOM 68 HG12 ILE A 4 -7.917 1.630 1.508 1.00 0.00 H +ATOM 69 HG13 ILE A 4 -9.215 0.465 1.676 1.00 0.00 H +ATOM 70 HG21 ILE A 4 -7.579 -2.387 0.147 1.00 0.00 H +ATOM 71 HG22 ILE A 4 -7.724 -2.190 1.903 1.00 0.00 H +ATOM 72 HG23 ILE A 4 -9.062 -1.721 0.834 1.00 0.00 H +ATOM 73 HD11 ILE A 4 -7.711 -0.590 3.551 1.00 0.00 H +ATOM 74 HD12 ILE A 4 -6.848 0.965 3.496 1.00 0.00 H +ATOM 75 HD13 ILE A 4 -8.578 0.918 3.885 1.00 0.00 H +ATOM 76 N GLN A 5 -5.075 -0.498 -1.343 1.00 0.00 N +ATOM 77 CA GLN A 5 -4.362 -1.071 -2.489 1.00 0.00 C +ATOM 78 C GLN A 5 -2.867 -1.283 -2.198 1.00 0.00 C +ATOM 79 O GLN A 5 -2.320 -2.311 -2.590 1.00 0.00 O +ATOM 80 CB GLN A 5 -4.555 -0.198 -3.737 1.00 0.00 C +ATOM 81 CG GLN A 5 -5.995 -0.248 -4.266 1.00 0.00 C +ATOM 82 CD GLN A 5 -6.126 0.517 -5.579 1.00 0.00 C +ATOM 83 OE1 GLN A 5 -5.978 -0.031 -6.658 1.00 0.00 O +ATOM 84 NE2 GLN A 5 -6.401 1.806 -5.540 1.00 0.00 N +ATOM 85 H GLN A 5 -5.445 0.441 -1.413 1.00 0.00 H +ATOM 86 HA GLN A 5 -4.782 -2.057 -2.696 1.00 0.00 H +ATOM 87 HB2 GLN A 5 -4.314 0.818 -3.488 1.00 0.00 H +ATOM 88 HB3 GLN A 5 -3.891 -0.565 -4.522 1.00 0.00 H +ATOM 89 HG2 GLN A 5 -6.273 -1.272 -4.428 1.00 0.00 H +ATOM 90 HG3 GLN A 5 -6.680 0.175 -3.530 1.00 0.00 H +ATOM 91 HE21 GLN A 5 -6.520 2.309 -4.682 1.00 0.00 H +ATOM 92 HE22 GLN A 5 -6.457 2.229 -6.452 1.00 0.00 H +ATOM 93 N TRP A 6 -2.207 -0.362 -1.483 1.00 0.00 N +ATOM 94 CA TRP A 6 -0.824 -0.567 -1.033 1.00 0.00 C +ATOM 95 C TRP A 6 -0.685 -1.753 -0.064 1.00 0.00 C +ATOM 96 O TRP A 6 0.203 -2.588 -0.244 1.00 0.00 O +ATOM 97 CB TRP A 6 -0.276 0.722 -0.418 1.00 0.00 C +ATOM 98 CG TRP A 6 1.118 0.612 0.126 1.00 0.00 C +ATOM 99 CD1 TRP A 6 2.254 0.594 -0.609 1.00 0.00 C +ATOM 100 CD2 TRP A 6 1.544 0.501 1.519 1.00 0.00 C +ATOM 101 NE1 TRP A 6 3.347 0.461 0.227 1.00 0.00 N +ATOM 102 CE2 TRP A 6 2.967 0.413 1.548 1.00 0.00 C +ATOM 103 CE3 TRP A 6 0.878 0.488 2.764 1.00 0.00 C +ATOM 104 CZ2 TRP A 6 3.697 0.331 2.741 1.00 0.00 C +ATOM 105 CZ3 TRP A 6 1.600 0.402 3.971 1.00 0.00 C +ATOM 106 CH2 TRP A 6 3.004 0.331 3.961 1.00 0.00 C +ATOM 107 H TRP A 6 -2.689 0.503 -1.249 1.00 0.00 H +ATOM 108 HA TRP A 6 -0.214 -0.807 -1.905 1.00 0.00 H +ATOM 109 HB2 TRP A 6 -0.281 1.482 -1.175 1.00 0.00 H +ATOM 110 HB3 TRP A 6 -0.933 1.043 0.389 1.00 0.00 H +ATOM 111 HD1 TRP A 6 2.293 0.681 -1.686 1.00 0.00 H +ATOM 112 HE1 TRP A 6 4.326 0.458 -0.069 1.00 0.00 H +ATOM 113 HE3 TRP A 6 -0.200 0.564 2.787 1.00 0.00 H +ATOM 114 HZ2 TRP A 6 4.776 0.281 2.705 1.00 0.00 H +ATOM 115 HZ3 TRP A 6 1.071 0.411 4.914 1.00 0.00 H +ATOM 116 HH2 TRP A 6 3.548 0.291 4.893 1.00 0.00 H +ATOM 117 N LEU A 7 -1.580 -1.874 0.927 1.00 0.00 N +ATOM 118 CA LEU A 7 -1.599 -3.031 1.829 1.00 0.00 C +ATOM 119 C LEU A 7 -1.786 -4.356 1.073 1.00 0.00 C +ATOM 120 O LEU A 7 -1.124 -5.333 1.422 1.00 0.00 O +ATOM 121 CB LEU A 7 -2.674 -2.852 2.916 1.00 0.00 C +ATOM 122 CG LEU A 7 -2.324 -1.798 3.986 1.00 0.00 C +ATOM 123 CD1 LEU A 7 -3.552 -1.544 4.867 1.00 0.00 C +ATOM 124 CD2 LEU A 7 -1.168 -2.243 4.890 1.00 0.00 C +ATOM 125 H LEU A 7 -2.270 -1.136 1.054 1.00 0.00 H +ATOM 126 HA LEU A 7 -0.625 -3.099 2.308 1.00 0.00 H +ATOM 127 HB2 LEU A 7 -3.588 -2.556 2.439 1.00 0.00 H +ATOM 128 HB3 LEU A 7 -2.827 -3.808 3.419 1.00 0.00 H +ATOM 129 HG LEU A 7 -2.045 -0.863 3.506 1.00 0.00 H +ATOM 130 HD11 LEU A 7 -4.374 -1.176 4.252 1.00 0.00 H +ATOM 131 HD12 LEU A 7 -3.856 -2.467 5.361 1.00 0.00 H +ATOM 132 HD13 LEU A 7 -3.318 -0.796 5.624 1.00 0.00 H +ATOM 133 HD21 LEU A 7 -1.414 -3.187 5.378 1.00 0.00 H +ATOM 134 HD22 LEU A 7 -0.257 -2.363 4.309 1.00 0.00 H +ATOM 135 HD23 LEU A 7 -0.985 -1.485 5.652 1.00 0.00 H +ATOM 136 N LYS A 8 -2.609 -4.385 0.009 1.00 0.00 N +ATOM 137 CA LYS A 8 -2.835 -5.565 -0.847 1.00 0.00 C +ATOM 138 C LYS A 8 -1.558 -6.137 -1.482 1.00 0.00 C +ATOM 139 O LYS A 8 -1.510 -7.335 -1.746 1.00 0.00 O +ATOM 140 CB LYS A 8 -3.872 -5.210 -1.927 1.00 0.00 C +ATOM 141 CG LYS A 8 -4.472 -6.419 -2.672 1.00 0.00 C +ATOM 142 CD LYS A 8 -3.967 -6.562 -4.118 1.00 0.00 C +ATOM 143 CE LYS A 8 -4.912 -7.488 -4.895 1.00 0.00 C +ATOM 144 NZ LYS A 8 -4.381 -7.814 -6.240 1.00 0.00 N +ATOM 145 H LYS A 8 -3.146 -3.541 -0.174 1.00 0.00 H +ATOM 146 HA LYS A 8 -3.247 -6.357 -0.218 1.00 0.00 H +ATOM 147 HB2 LYS A 8 -4.675 -4.677 -1.456 1.00 0.00 H +ATOM 148 HB3 LYS A 8 -3.417 -4.531 -2.647 1.00 0.00 H +ATOM 149 HG2 LYS A 8 -4.216 -7.311 -2.133 1.00 0.00 H +ATOM 150 HG3 LYS A 8 -5.554 -6.284 -2.697 1.00 0.00 H +ATOM 151 HD2 LYS A 8 -3.944 -5.597 -4.587 1.00 0.00 H +ATOM 152 HD3 LYS A 8 -2.954 -6.968 -4.111 1.00 0.00 H +ATOM 153 HE2 LYS A 8 -5.039 -8.398 -4.342 1.00 0.00 H +ATOM 154 HE3 LYS A 8 -5.879 -6.986 -4.990 1.00 0.00 H +ATOM 155 HZ1 LYS A 8 -4.156 -6.967 -6.745 1.00 0.00 H +ATOM 156 HZ2 LYS A 8 -3.540 -8.372 -6.153 1.00 0.00 H +ATOM 157 HZ3 LYS A 8 -5.066 -8.339 -6.770 1.00 0.00 H +ATOM 158 N ASP A 9 -0.531 -5.310 -1.709 1.00 0.00 N +ATOM 159 CA ASP A 9 0.782 -5.753 -2.199 1.00 0.00 C +ATOM 160 C ASP A 9 1.608 -6.478 -1.111 1.00 0.00 C +ATOM 161 O ASP A 9 2.514 -7.238 -1.445 1.00 0.00 O +ATOM 162 CB ASP A 9 1.552 -4.536 -2.756 1.00 0.00 C +ATOM 163 CG ASP A 9 2.243 -4.819 -4.098 1.00 0.00 C +ATOM 164 OD1 ASP A 9 1.520 -4.894 -5.114 1.00 0.00 O +ATOM 165 OD2 ASP A 9 3.496 -4.834 -4.151 1.00 0.00 O +ATOM 166 H ASP A 9 -0.652 -4.327 -1.493 1.00 0.00 H +ATOM 167 HA ASP A 9 0.624 -6.460 -3.016 1.00 0.00 H +ATOM 168 HB2 ASP A 9 0.860 -3.728 -2.893 1.00 0.00 H +ATOM 169 HB3 ASP A 9 2.281 -4.194 -2.021 1.00 0.00 H +ATOM 170 N GLY A 10 1.277 -6.270 0.176 1.00 0.00 N +ATOM 171 CA GLY A 10 2.025 -6.755 1.345 1.00 0.00 C +ATOM 172 C GLY A 10 2.511 -5.652 2.302 1.00 0.00 C +ATOM 173 O GLY A 10 3.330 -5.927 3.184 1.00 0.00 O +ATOM 174 H GLY A 10 0.421 -5.751 0.355 1.00 0.00 H +ATOM 175 HA2 GLY A 10 1.382 -7.428 1.912 1.00 0.00 H +ATOM 176 HA3 GLY A 10 2.898 -7.318 1.016 1.00 0.00 H +ATOM 177 N GLY A 11 2.061 -4.397 2.131 1.00 0.00 N +ATOM 178 CA GLY A 11 2.503 -3.261 2.946 1.00 0.00 C +ATOM 179 C GLY A 11 4.031 -3.074 2.887 1.00 0.00 C +ATOM 180 O GLY A 11 4.595 -3.162 1.791 1.00 0.00 O +ATOM 181 H GLY A 11 1.442 -4.219 1.351 1.00 0.00 H +ATOM 182 HA2 GLY A 11 2.030 -2.351 2.579 1.00 0.00 H +ATOM 183 HA3 GLY A 11 2.173 -3.433 3.969 1.00 0.00 H +ATOM 184 N PRO A 12 4.729 -2.844 4.022 1.00 0.00 N +ATOM 185 CA PRO A 12 6.186 -2.657 4.057 1.00 0.00 C +ATOM 186 C PRO A 12 7.000 -3.804 3.440 1.00 0.00 C +ATOM 187 O PRO A 12 8.098 -3.571 2.938 1.00 0.00 O +ATOM 188 CB PRO A 12 6.560 -2.503 5.537 1.00 0.00 C +ATOM 189 CG PRO A 12 5.258 -2.091 6.219 1.00 0.00 C +ATOM 190 CD PRO A 12 4.187 -2.773 5.373 1.00 0.00 C +ATOM 191 HA PRO A 12 6.428 -1.733 3.531 1.00 0.00 H +ATOM 192 HB2 PRO A 12 6.920 -3.432 5.936 1.00 0.00 H +ATOM 193 HB3 PRO A 12 7.339 -1.752 5.678 1.00 0.00 H +ATOM 194 HG2 PRO A 12 5.228 -2.441 7.233 1.00 0.00 H +ATOM 195 HG3 PRO A 12 5.143 -1.008 6.161 1.00 0.00 H +ATOM 196 HD2 PRO A 12 3.987 -3.759 5.747 1.00 0.00 H +ATOM 197 HD3 PRO A 12 3.262 -2.198 5.412 1.00 0.00 H +ATOM 198 N SER A 13 6.470 -5.035 3.441 1.00 0.00 N +ATOM 199 CA SER A 13 7.162 -6.235 2.936 1.00 0.00 C +ATOM 200 C SER A 13 7.153 -6.352 1.402 1.00 0.00 C +ATOM 201 O SER A 13 7.495 -7.398 0.861 1.00 0.00 O +ATOM 202 CB SER A 13 6.574 -7.490 3.595 1.00 0.00 C +ATOM 203 OG SER A 13 6.813 -7.451 4.988 1.00 0.00 O +ATOM 204 H SER A 13 5.505 -5.137 3.737 1.00 0.00 H +ATOM 205 HA SER A 13 8.211 -6.179 3.232 1.00 0.00 H +ATOM 206 HB2 SER A 13 5.517 -7.526 3.415 1.00 0.00 H +ATOM 207 HB3 SER A 13 7.054 -8.380 3.187 1.00 0.00 H +ATOM 208 HG SER A 13 6.443 -6.640 5.343 1.00 0.00 H +ATOM 209 N SER A 14 6.767 -5.279 0.701 1.00 0.00 N +ATOM 210 CA SER A 14 6.504 -5.245 -0.744 1.00 0.00 C +ATOM 211 C SER A 14 7.583 -4.513 -1.556 1.00 0.00 C +ATOM 212 O SER A 14 7.477 -4.434 -2.776 1.00 0.00 O +ATOM 213 CB SER A 14 5.171 -4.534 -0.999 1.00 0.00 C +ATOM 214 OG SER A 14 4.177 -4.877 -0.070 1.00 0.00 O +ATOM 215 H SER A 14 6.484 -4.475 1.245 1.00 0.00 H +ATOM 216 HA SER A 14 6.420 -6.264 -1.123 1.00 0.00 H +ATOM 217 HB2 SER A 14 5.334 -3.475 -0.949 1.00 0.00 H +ATOM 218 HB3 SER A 14 4.831 -4.746 -2.011 1.00 0.00 H +ATOM 219 HG SER A 14 4.259 -4.235 0.675 1.00 0.00 H +ATOM 220 N GLY A 15 8.589 -3.916 -0.899 1.00 0.00 N +ATOM 221 CA GLY A 15 9.628 -3.120 -1.568 1.00 0.00 C +ATOM 222 C GLY A 15 9.147 -1.769 -2.127 1.00 0.00 C +ATOM 223 O GLY A 15 9.811 -1.210 -2.995 1.00 0.00 O +ATOM 224 H GLY A 15 8.637 -4.053 0.102 1.00 0.00 H +ATOM 225 HA2 GLY A 15 10.434 -2.923 -0.862 1.00 0.00 H +ATOM 226 HA3 GLY A 15 10.042 -3.698 -2.394 1.00 0.00 H +ATOM 227 N ARG A 16 8.006 -1.245 -1.647 1.00 0.00 N +ATOM 228 CA ARG A 16 7.372 -0.003 -2.121 1.00 0.00 C +ATOM 229 C ARG A 16 6.899 0.883 -0.950 1.00 0.00 C +ATOM 230 O ARG A 16 6.250 0.369 -0.033 1.00 0.00 O +ATOM 231 CB ARG A 16 6.209 -0.320 -3.084 1.00 0.00 C +ATOM 232 CG ARG A 16 5.215 -1.352 -2.526 1.00 0.00 C +ATOM 233 CD ARG A 16 3.904 -1.443 -3.304 1.00 0.00 C +ATOM 234 NE ARG A 16 4.061 -2.274 -4.499 1.00 0.00 N +ATOM 235 CZ ARG A 16 3.904 -1.985 -5.776 1.00 0.00 C +ATOM 236 NH1 ARG A 16 3.635 -0.767 -6.189 1.00 0.00 N +ATOM 237 NH2 ARG A 16 4.003 -2.954 -6.651 1.00 0.00 N +ATOM 238 H ARG A 16 7.548 -1.757 -0.908 1.00 0.00 H +ATOM 239 HA ARG A 16 8.120 0.548 -2.691 1.00 0.00 H +ATOM 240 HB2 ARG A 16 5.677 0.590 -3.285 1.00 0.00 H +ATOM 241 HB3 ARG A 16 6.620 -0.712 -4.017 1.00 0.00 H +ATOM 242 HG2 ARG A 16 5.685 -2.316 -2.545 1.00 0.00 H +ATOM 243 HG3 ARG A 16 4.960 -1.114 -1.497 1.00 0.00 H +ATOM 244 HD2 ARG A 16 3.151 -1.874 -2.673 1.00 0.00 H +ATOM 245 HD3 ARG A 16 3.536 -0.446 -3.542 1.00 0.00 H +ATOM 246 HE ARG A 16 4.127 -3.284 -4.320 1.00 0.00 H +ATOM 247 HH11 ARG A 16 3.507 -0.060 -5.490 1.00 0.00 H +ATOM 248 HH12 ARG A 16 3.473 -0.577 -7.160 1.00 0.00 H +ATOM 249 HH21 ARG A 16 4.040 -3.895 -6.271 1.00 0.00 H +ATOM 250 HH22 ARG A 16 3.899 -2.795 -7.633 1.00 0.00 H +ATOM 251 N PRO A 17 7.166 2.205 -0.969 1.00 0.00 N +ATOM 252 CA PRO A 17 6.727 3.117 0.088 1.00 0.00 C +ATOM 253 C PRO A 17 5.195 3.304 0.088 1.00 0.00 C +ATOM 254 O PRO A 17 4.551 3.043 -0.934 1.00 0.00 O +ATOM 255 CB PRO A 17 7.460 4.433 -0.196 1.00 0.00 C +ATOM 256 CG PRO A 17 7.647 4.418 -1.712 1.00 0.00 C +ATOM 257 CD PRO A 17 7.865 2.938 -2.017 1.00 0.00 C +ATOM 258 HA PRO A 17 7.042 2.728 1.057 1.00 0.00 H +ATOM 259 HB2 PRO A 17 6.869 5.275 0.109 1.00 0.00 H +ATOM 260 HB3 PRO A 17 8.437 4.415 0.288 1.00 0.00 H +ATOM 261 HG2 PRO A 17 6.774 4.790 -2.212 1.00 0.00 H +ATOM 262 HG3 PRO A 17 8.499 5.023 -2.023 1.00 0.00 H +ATOM 263 HD2 PRO A 17 7.459 2.692 -2.979 1.00 0.00 H +ATOM 264 HD3 PRO A 17 8.930 2.705 -1.974 1.00 0.00 H +ATOM 265 N PRO A 18 4.598 3.763 1.206 1.00 0.00 N +ATOM 266 CA PRO A 18 3.160 4.002 1.296 1.00 0.00 C +ATOM 267 C PRO A 18 2.723 5.223 0.459 1.00 0.00 C +ATOM 268 O PRO A 18 3.486 6.180 0.323 1.00 0.00 O +ATOM 269 CB PRO A 18 2.870 4.209 2.786 1.00 0.00 C +ATOM 270 CG PRO A 18 4.187 4.765 3.327 1.00 0.00 C +ATOM 271 CD PRO A 18 5.239 4.048 2.482 1.00 0.00 C +ATOM 272 HA PRO A 18 2.639 3.111 0.954 1.00 0.00 H +ATOM 273 HB2 PRO A 18 2.070 4.910 2.928 1.00 0.00 H +ATOM 274 HB3 PRO A 18 2.665 3.246 3.253 1.00 0.00 H +ATOM 275 HG2 PRO A 18 4.242 5.828 3.190 1.00 0.00 H +ATOM 276 HG3 PRO A 18 4.310 4.556 4.389 1.00 0.00 H +ATOM 277 HD2 PRO A 18 6.095 4.679 2.337 1.00 0.00 H +ATOM 278 HD3 PRO A 18 5.518 3.109 2.962 1.00 0.00 H +ATOM 279 N PRO A 19 1.487 5.223 -0.081 1.00 0.00 N +ATOM 280 CA PRO A 19 0.954 6.306 -0.911 1.00 0.00 C +ATOM 281 C PRO A 19 0.318 7.463 -0.116 1.00 0.00 C +ATOM 282 O PRO A 19 -0.042 8.473 -0.718 1.00 0.00 O +ATOM 283 CB PRO A 19 -0.097 5.617 -1.786 1.00 0.00 C +ATOM 284 CG PRO A 19 -0.667 4.552 -0.849 1.00 0.00 C +ATOM 285 CD PRO A 19 0.572 4.092 -0.088 1.00 0.00 C +ATOM 286 HA PRO A 19 1.738 6.719 -1.548 1.00 0.00 H +ATOM 287 HB2 PRO A 19 -0.857 6.308 -2.094 1.00 0.00 H +ATOM 288 HB3 PRO A 19 0.396 5.133 -2.632 1.00 0.00 H +ATOM 289 HG2 PRO A 19 -1.398 4.970 -0.184 1.00 0.00 H +ATOM 290 HG3 PRO A 19 -1.129 3.736 -1.404 1.00 0.00 H +ATOM 291 HD2 PRO A 19 0.311 3.818 0.916 1.00 0.00 H +ATOM 292 HD3 PRO A 19 1.042 3.271 -0.628 1.00 0.00 H +ATOM 293 N SER A 20 0.154 7.315 1.206 1.00 0.00 N +ATOM 294 CA SER A 20 -0.381 8.320 2.134 1.00 0.00 C +ATOM 295 C SER A 20 0.429 8.296 3.426 1.00 0.00 C +ATOM 296 O SER A 20 0.669 7.163 3.906 1.00 0.00 O +ATOM 297 CB SER A 20 -1.858 8.039 2.425 1.00 0.00 C +ATOM 298 OG SER A 20 -2.535 9.236 2.730 1.00 0.00 O +ATOM 299 OXT SER A 20 0.789 9.398 3.882 1.00 0.00 O +ATOM 300 H SER A 20 0.527 6.490 1.654 1.00 0.00 H +ATOM 301 HA SER A 20 -0.263 9.307 1.688 1.00 0.00 H +ATOM 302 HB2 SER A 20 -2.309 7.588 1.562 1.00 0.00 H +ATOM 303 HB3 SER A 20 -1.945 7.348 3.266 1.00 0.00 H +ATOM 304 HG SER A 20 -1.973 9.971 2.469 1.00 0.00 H +TER 305 SER A 20 +ENDMDL +MODEL 9 +ATOM 1 N ASN A 1 -6.355 7.914 0.576 1.00 0.00 N +ATOM 2 CA ASN A 1 -6.778 6.858 -0.378 1.00 0.00 C +ATOM 3 C ASN A 1 -5.549 6.028 -0.782 1.00 0.00 C +ATOM 4 O ASN A 1 -4.530 6.178 -0.119 1.00 0.00 O +ATOM 5 CB ASN A 1 -7.563 7.460 -1.562 1.00 0.00 C +ATOM 6 CG ASN A 1 -8.448 6.400 -2.211 1.00 0.00 C +ATOM 7 OD1 ASN A 1 -8.022 5.688 -3.104 1.00 0.00 O +ATOM 8 ND2 ASN A 1 -9.658 6.188 -1.730 1.00 0.00 N +ATOM 9 H1 ASN A 1 -5.830 7.486 1.328 1.00 0.00 H +ATOM 10 H2 ASN A 1 -5.742 8.573 0.115 1.00 0.00 H +ATOM 11 H3 ASN A 1 -7.157 8.399 0.955 1.00 0.00 H +ATOM 12 HA ASN A 1 -7.452 6.182 0.150 1.00 0.00 H +ATOM 13 HB2 ASN A 1 -8.178 8.264 -1.206 1.00 0.00 H +ATOM 14 HB3 ASN A 1 -6.872 7.865 -2.304 1.00 0.00 H +ATOM 15 HD21 ASN A 1 -10.087 6.731 -1.001 1.00 0.00 H +ATOM 16 HD22 ASN A 1 -10.166 5.465 -2.217 1.00 0.00 H +ATOM 17 N LEU A 2 -5.630 5.135 -1.783 1.00 0.00 N +ATOM 18 CA LEU A 2 -4.587 4.213 -2.289 1.00 0.00 C +ATOM 19 C LEU A 2 -3.962 3.229 -1.269 1.00 0.00 C +ATOM 20 O LEU A 2 -3.407 2.204 -1.668 1.00 0.00 O +ATOM 21 CB LEU A 2 -3.510 5.015 -3.058 1.00 0.00 C +ATOM 22 CG LEU A 2 -3.772 5.277 -4.555 1.00 0.00 C +ATOM 23 CD1 LEU A 2 -3.748 3.980 -5.372 1.00 0.00 C +ATOM 24 CD2 LEU A 2 -5.076 6.028 -4.834 1.00 0.00 C +ATOM 25 H LEU A 2 -6.497 5.119 -2.318 1.00 0.00 H +ATOM 26 HA LEU A 2 -5.078 3.561 -3.012 1.00 0.00 H +ATOM 27 HB2 LEU A 2 -3.409 5.968 -2.575 1.00 0.00 H +ATOM 28 HB3 LEU A 2 -2.567 4.475 -3.000 1.00 0.00 H +ATOM 29 HG LEU A 2 -2.952 5.903 -4.913 1.00 0.00 H +ATOM 30 HD11 LEU A 2 -2.862 3.397 -5.120 1.00 0.00 H +ATOM 31 HD12 LEU A 2 -4.638 3.385 -5.182 1.00 0.00 H +ATOM 32 HD13 LEU A 2 -3.712 4.225 -6.435 1.00 0.00 H +ATOM 33 HD21 LEU A 2 -5.932 5.392 -4.613 1.00 0.00 H +ATOM 34 HD22 LEU A 2 -5.123 6.933 -4.230 1.00 0.00 H +ATOM 35 HD23 LEU A 2 -5.117 6.307 -5.887 1.00 0.00 H +ATOM 36 N TYR A 3 -4.092 3.484 0.034 1.00 0.00 N +ATOM 37 CA TYR A 3 -3.507 2.707 1.123 1.00 0.00 C +ATOM 38 C TYR A 3 -3.985 1.247 1.144 1.00 0.00 C +ATOM 39 O TYR A 3 -3.180 0.347 1.372 1.00 0.00 O +ATOM 40 CB TYR A 3 -3.807 3.419 2.451 1.00 0.00 C +ATOM 41 CG TYR A 3 -2.696 3.269 3.468 1.00 0.00 C +ATOM 42 CD1 TYR A 3 -2.590 2.095 4.240 1.00 0.00 C +ATOM 43 CD2 TYR A 3 -1.753 4.303 3.625 1.00 0.00 C +ATOM 44 CE1 TYR A 3 -1.550 1.959 5.180 1.00 0.00 C +ATOM 45 CE2 TYR A 3 -0.711 4.172 4.561 1.00 0.00 C +ATOM 46 CZ TYR A 3 -0.611 3.005 5.344 1.00 0.00 C +ATOM 47 OH TYR A 3 0.374 2.911 6.276 1.00 0.00 O +ATOM 48 H TYR A 3 -4.425 4.414 0.259 1.00 0.00 H +ATOM 49 HA TYR A 3 -2.425 2.700 0.981 1.00 0.00 H +ATOM 50 HB2 TYR A 3 -3.951 4.464 2.254 1.00 0.00 H +ATOM 51 HB3 TYR A 3 -4.742 3.045 2.871 1.00 0.00 H +ATOM 52 HD1 TYR A 3 -3.308 1.299 4.106 1.00 0.00 H +ATOM 53 HD2 TYR A 3 -1.821 5.207 3.034 1.00 0.00 H +ATOM 54 HE1 TYR A 3 -1.462 1.059 5.769 1.00 0.00 H +ATOM 55 HE2 TYR A 3 0.006 4.966 4.698 1.00 0.00 H +ATOM 56 HH TYR A 3 0.027 2.663 7.133 1.00 0.00 H +ATOM 57 N ILE A 4 -5.271 0.998 0.853 1.00 0.00 N +ATOM 58 CA ILE A 4 -5.839 -0.354 0.750 1.00 0.00 C +ATOM 59 C ILE A 4 -5.129 -1.160 -0.354 1.00 0.00 C +ATOM 60 O ILE A 4 -4.715 -2.294 -0.121 1.00 0.00 O +ATOM 61 CB ILE A 4 -7.375 -0.317 0.526 1.00 0.00 C +ATOM 62 CG1 ILE A 4 -8.137 0.556 1.557 1.00 0.00 C +ATOM 63 CG2 ILE A 4 -7.940 -1.748 0.590 1.00 0.00 C +ATOM 64 CD1 ILE A 4 -8.425 1.981 1.063 1.00 0.00 C +ATOM 65 H ILE A 4 -5.872 1.793 0.698 1.00 0.00 H +ATOM 66 HA ILE A 4 -5.651 -0.867 1.695 1.00 0.00 H +ATOM 67 HB ILE A 4 -7.576 0.069 -0.474 1.00 0.00 H +ATOM 68 HG12 ILE A 4 -9.072 0.079 1.780 1.00 0.00 H +ATOM 69 HG13 ILE A 4 -7.585 0.601 2.497 1.00 0.00 H +ATOM 70 HG21 ILE A 4 -7.504 -2.371 -0.192 1.00 0.00 H +ATOM 71 HG22 ILE A 4 -7.727 -2.194 1.563 1.00 0.00 H +ATOM 72 HG23 ILE A 4 -9.020 -1.731 0.437 1.00 0.00 H +ATOM 73 HD11 ILE A 4 -7.512 2.575 1.038 1.00 0.00 H +ATOM 74 HD12 ILE A 4 -8.867 1.949 0.066 1.00 0.00 H +ATOM 75 HD13 ILE A 4 -9.137 2.458 1.739 1.00 0.00 H +ATOM 76 N GLN A 5 -4.949 -0.564 -1.544 1.00 0.00 N +ATOM 77 CA GLN A 5 -4.210 -1.179 -2.650 1.00 0.00 C +ATOM 78 C GLN A 5 -2.730 -1.412 -2.309 1.00 0.00 C +ATOM 79 O GLN A 5 -2.180 -2.447 -2.679 1.00 0.00 O +ATOM 80 CB GLN A 5 -4.326 -0.333 -3.929 1.00 0.00 C +ATOM 81 CG GLN A 5 -5.654 -0.555 -4.672 1.00 0.00 C +ATOM 82 CD GLN A 5 -5.597 0.001 -6.097 1.00 0.00 C +ATOM 83 OE1 GLN A 5 -4.724 -0.323 -6.881 1.00 0.00 O +ATOM 84 NE2 GLN A 5 -6.527 0.846 -6.499 1.00 0.00 N +ATOM 85 H GLN A 5 -5.256 0.391 -1.646 1.00 0.00 H +ATOM 86 HA GLN A 5 -4.639 -2.162 -2.849 1.00 0.00 H +ATOM 87 HB2 GLN A 5 -4.251 0.704 -3.662 1.00 0.00 H +ATOM 88 HB3 GLN A 5 -3.512 -0.622 -4.596 1.00 0.00 H +ATOM 89 HG2 GLN A 5 -5.858 -1.608 -4.716 1.00 0.00 H +ATOM 90 HG3 GLN A 5 -6.466 -0.086 -4.117 1.00 0.00 H +ATOM 91 HE21 GLN A 5 -7.297 1.142 -5.929 1.00 0.00 H +ATOM 92 HE22 GLN A 5 -6.409 1.126 -7.459 1.00 0.00 H +ATOM 93 N TRP A 6 -2.081 -0.492 -1.584 1.00 0.00 N +ATOM 94 CA TRP A 6 -0.717 -0.712 -1.094 1.00 0.00 C +ATOM 95 C TRP A 6 -0.634 -1.871 -0.083 1.00 0.00 C +ATOM 96 O TRP A 6 0.235 -2.738 -0.203 1.00 0.00 O +ATOM 97 CB TRP A 6 -0.168 0.595 -0.511 1.00 0.00 C +ATOM 98 CG TRP A 6 1.222 0.490 0.032 1.00 0.00 C +ATOM 99 CD1 TRP A 6 2.356 0.444 -0.705 1.00 0.00 C +ATOM 100 CD2 TRP A 6 1.648 0.375 1.425 1.00 0.00 C +ATOM 101 NE1 TRP A 6 3.446 0.307 0.129 1.00 0.00 N +ATOM 102 CE2 TRP A 6 3.068 0.266 1.450 1.00 0.00 C +ATOM 103 CE3 TRP A 6 0.980 0.360 2.668 1.00 0.00 C +ATOM 104 CZ2 TRP A 6 3.796 0.163 2.643 1.00 0.00 C +ATOM 105 CZ3 TRP A 6 1.699 0.248 3.874 1.00 0.00 C +ATOM 106 CH2 TRP A 6 3.103 0.153 3.864 1.00 0.00 C +ATOM 107 H TRP A 6 -2.567 0.373 -1.361 1.00 0.00 H +ATOM 108 HA TRP A 6 -0.089 -0.993 -1.940 1.00 0.00 H +ATOM 109 HB2 TRP A 6 -0.171 1.336 -1.287 1.00 0.00 H +ATOM 110 HB3 TRP A 6 -0.824 0.933 0.292 1.00 0.00 H +ATOM 111 HD1 TRP A 6 2.407 0.492 -1.782 1.00 0.00 H +ATOM 112 HE1 TRP A 6 4.421 0.258 -0.183 1.00 0.00 H +ATOM 113 HE3 TRP A 6 -0.097 0.448 2.689 1.00 0.00 H +ATOM 114 HZ2 TRP A 6 4.873 0.086 2.605 1.00 0.00 H +ATOM 115 HZ3 TRP A 6 1.170 0.248 4.818 1.00 0.00 H +ATOM 116 HH2 TRP A 6 3.648 0.079 4.793 1.00 0.00 H +ATOM 117 N LEU A 7 -1.559 -1.927 0.884 1.00 0.00 N +ATOM 118 CA LEU A 7 -1.650 -3.030 1.843 1.00 0.00 C +ATOM 119 C LEU A 7 -1.902 -4.384 1.166 1.00 0.00 C +ATOM 120 O LEU A 7 -1.269 -5.361 1.560 1.00 0.00 O +ATOM 121 CB LEU A 7 -2.733 -2.741 2.896 1.00 0.00 C +ATOM 122 CG LEU A 7 -2.320 -1.710 3.964 1.00 0.00 C +ATOM 123 CD1 LEU A 7 -3.516 -1.453 4.886 1.00 0.00 C +ATOM 124 CD2 LEU A 7 -1.139 -2.196 4.813 1.00 0.00 C +ATOM 125 H LEU A 7 -2.231 -1.165 0.952 1.00 0.00 H +ATOM 126 HA LEU A 7 -0.687 -3.126 2.344 1.00 0.00 H +ATOM 127 HB2 LEU A 7 -3.603 -2.370 2.390 1.00 0.00 H +ATOM 128 HB3 LEU A 7 -2.981 -3.673 3.405 1.00 0.00 H +ATOM 129 HG LEU A 7 -2.041 -0.773 3.487 1.00 0.00 H +ATOM 130 HD11 LEU A 7 -4.353 -1.069 4.302 1.00 0.00 H +ATOM 131 HD12 LEU A 7 -3.815 -2.379 5.378 1.00 0.00 H +ATOM 132 HD13 LEU A 7 -3.251 -0.717 5.645 1.00 0.00 H +ATOM 133 HD21 LEU A 7 -1.303 -3.225 5.133 1.00 0.00 H +ATOM 134 HD22 LEU A 7 -0.219 -2.141 4.234 1.00 0.00 H +ATOM 135 HD23 LEU A 7 -1.022 -1.564 5.694 1.00 0.00 H +ATOM 136 N LYS A 8 -2.764 -4.435 0.137 1.00 0.00 N +ATOM 137 CA LYS A 8 -3.064 -5.639 -0.660 1.00 0.00 C +ATOM 138 C LYS A 8 -1.824 -6.358 -1.202 1.00 0.00 C +ATOM 139 O LYS A 8 -1.858 -7.580 -1.310 1.00 0.00 O +ATOM 140 CB LYS A 8 -3.983 -5.265 -1.837 1.00 0.00 C +ATOM 141 CG LYS A 8 -5.484 -5.361 -1.533 1.00 0.00 C +ATOM 142 CD LYS A 8 -5.970 -6.821 -1.519 1.00 0.00 C +ATOM 143 CE LYS A 8 -7.373 -6.934 -2.133 1.00 0.00 C +ATOM 144 NZ LYS A 8 -7.546 -8.214 -2.860 1.00 0.00 N +ATOM 145 H LYS A 8 -3.276 -3.581 -0.075 1.00 0.00 H +ATOM 146 HA LYS A 8 -3.567 -6.365 -0.022 1.00 0.00 H +ATOM 147 HB2 LYS A 8 -3.764 -4.255 -2.124 1.00 0.00 H +ATOM 148 HB3 LYS A 8 -3.765 -5.907 -2.694 1.00 0.00 H +ATOM 149 HG2 LYS A 8 -5.673 -4.922 -0.572 1.00 0.00 H +ATOM 150 HG3 LYS A 8 -6.001 -4.816 -2.323 1.00 0.00 H +ATOM 151 HD2 LYS A 8 -5.288 -7.424 -2.086 1.00 0.00 H +ATOM 152 HD3 LYS A 8 -5.982 -7.196 -0.493 1.00 0.00 H +ATOM 153 HE2 LYS A 8 -8.103 -6.877 -1.348 1.00 0.00 H +ATOM 154 HE3 LYS A 8 -7.516 -6.106 -2.833 1.00 0.00 H +ATOM 155 HZ1 LYS A 8 -6.850 -8.287 -3.593 1.00 0.00 H +ATOM 156 HZ2 LYS A 8 -7.431 -8.996 -2.230 1.00 0.00 H +ATOM 157 HZ3 LYS A 8 -8.463 -8.259 -3.283 1.00 0.00 H +ATOM 158 N ASP A 9 -0.763 -5.623 -1.552 1.00 0.00 N +ATOM 159 CA ASP A 9 0.496 -6.197 -2.043 1.00 0.00 C +ATOM 160 C ASP A 9 1.282 -6.902 -0.920 1.00 0.00 C +ATOM 161 O ASP A 9 1.817 -7.991 -1.121 1.00 0.00 O +ATOM 162 CB ASP A 9 1.321 -5.072 -2.691 1.00 0.00 C +ATOM 163 CG ASP A 9 2.292 -5.605 -3.748 1.00 0.00 C +ATOM 164 OD1 ASP A 9 3.441 -5.927 -3.382 1.00 0.00 O +ATOM 165 OD2 ASP A 9 1.868 -5.659 -4.923 1.00 0.00 O +ATOM 166 H ASP A 9 -0.837 -4.618 -1.476 1.00 0.00 H +ATOM 167 HA ASP A 9 0.265 -6.940 -2.810 1.00 0.00 H +ATOM 168 HB2 ASP A 9 0.651 -4.376 -3.157 1.00 0.00 H +ATOM 169 HB3 ASP A 9 1.866 -4.522 -1.921 1.00 0.00 H +ATOM 170 N GLY A 10 1.295 -6.304 0.280 1.00 0.00 N +ATOM 171 CA GLY A 10 2.040 -6.794 1.445 1.00 0.00 C +ATOM 172 C GLY A 10 2.489 -5.723 2.455 1.00 0.00 C +ATOM 173 O GLY A 10 3.314 -6.013 3.317 1.00 0.00 O +ATOM 174 H GLY A 10 0.707 -5.487 0.357 1.00 0.00 H +ATOM 175 HA2 GLY A 10 1.418 -7.514 1.975 1.00 0.00 H +ATOM 176 HA3 GLY A 10 2.937 -7.314 1.102 1.00 0.00 H +ATOM 177 N GLY A 11 1.982 -4.483 2.376 1.00 0.00 N +ATOM 178 CA GLY A 11 2.428 -3.400 3.257 1.00 0.00 C +ATOM 179 C GLY A 11 3.939 -3.116 3.122 1.00 0.00 C +ATOM 180 O GLY A 11 4.431 -3.017 1.996 1.00 0.00 O +ATOM 181 H GLY A 11 1.270 -4.287 1.690 1.00 0.00 H +ATOM 182 HA2 GLY A 11 1.885 -2.490 3.006 1.00 0.00 H +ATOM 183 HA3 GLY A 11 2.184 -3.679 4.281 1.00 0.00 H +ATOM 184 N PRO A 12 4.698 -2.946 4.226 1.00 0.00 N +ATOM 185 CA PRO A 12 6.130 -2.631 4.172 1.00 0.00 C +ATOM 186 C PRO A 12 7.010 -3.666 3.454 1.00 0.00 C +ATOM 187 O PRO A 12 8.063 -3.297 2.936 1.00 0.00 O +ATOM 188 CB PRO A 12 6.588 -2.475 5.628 1.00 0.00 C +ATOM 189 CG PRO A 12 5.303 -2.191 6.399 1.00 0.00 C +ATOM 190 CD PRO A 12 4.243 -2.957 5.611 1.00 0.00 C +ATOM 191 HA PRO A 12 6.248 -1.673 3.664 1.00 0.00 H +ATOM 192 HB2 PRO A 12 7.051 -3.377 5.980 1.00 0.00 H +ATOM 193 HB3 PRO A 12 7.305 -1.661 5.732 1.00 0.00 H +ATOM 194 HG2 PRO A 12 5.371 -2.555 7.406 1.00 0.00 H +ATOM 195 HG3 PRO A 12 5.086 -1.123 6.366 1.00 0.00 H +ATOM 196 HD2 PRO A 12 4.164 -3.965 5.971 1.00 0.00 H +ATOM 197 HD3 PRO A 12 3.275 -2.469 5.727 1.00 0.00 H +ATOM 198 N SER A 13 6.616 -4.948 3.398 1.00 0.00 N +ATOM 199 CA SER A 13 7.425 -6.010 2.779 1.00 0.00 C +ATOM 200 C SER A 13 7.282 -6.083 1.247 1.00 0.00 C +ATOM 201 O SER A 13 7.825 -6.993 0.624 1.00 0.00 O +ATOM 202 CB SER A 13 7.160 -7.358 3.464 1.00 0.00 C +ATOM 203 OG SER A 13 5.803 -7.725 3.370 1.00 0.00 O +ATOM 204 H SER A 13 5.705 -5.222 3.755 1.00 0.00 H +ATOM 205 HA SER A 13 8.474 -5.782 2.964 1.00 0.00 H +ATOM 206 HB2 SER A 13 7.759 -8.113 2.992 1.00 0.00 H +ATOM 207 HB3 SER A 13 7.430 -7.277 4.519 1.00 0.00 H +ATOM 208 HG SER A 13 5.735 -8.681 3.298 1.00 0.00 H +ATOM 209 N SER A 14 6.606 -5.101 0.635 1.00 0.00 N +ATOM 210 CA SER A 14 6.348 -4.975 -0.808 1.00 0.00 C +ATOM 211 C SER A 14 7.404 -4.162 -1.577 1.00 0.00 C +ATOM 212 O SER A 14 7.289 -3.990 -2.790 1.00 0.00 O +ATOM 213 CB SER A 14 5.008 -4.262 -1.007 1.00 0.00 C +ATOM 214 OG SER A 14 4.002 -4.863 -0.226 1.00 0.00 O +ATOM 215 H SER A 14 6.121 -4.441 1.233 1.00 0.00 H +ATOM 216 HA SER A 14 6.278 -5.969 -1.254 1.00 0.00 H +ATOM 217 HB2 SER A 14 5.110 -3.234 -0.719 1.00 0.00 H +ATOM 218 HB3 SER A 14 4.727 -4.291 -2.059 1.00 0.00 H +ATOM 219 HG SER A 14 3.353 -4.187 -0.015 1.00 0.00 H +ATOM 220 N GLY A 15 8.395 -3.574 -0.897 1.00 0.00 N +ATOM 221 CA GLY A 15 9.449 -2.750 -1.509 1.00 0.00 C +ATOM 222 C GLY A 15 9.021 -1.317 -1.874 1.00 0.00 C +ATOM 223 O GLY A 15 9.808 -0.389 -1.697 1.00 0.00 O +ATOM 224 H GLY A 15 8.410 -3.718 0.104 1.00 0.00 H +ATOM 225 HA2 GLY A 15 10.294 -2.689 -0.823 1.00 0.00 H +ATOM 226 HA3 GLY A 15 9.796 -3.237 -2.420 1.00 0.00 H +ATOM 227 N ARG A 16 7.790 -1.115 -2.367 1.00 0.00 N +ATOM 228 CA ARG A 16 7.218 0.212 -2.656 1.00 0.00 C +ATOM 229 C ARG A 16 6.821 0.946 -1.353 1.00 0.00 C +ATOM 230 O ARG A 16 6.154 0.335 -0.515 1.00 0.00 O +ATOM 231 CB ARG A 16 6.002 0.046 -3.589 1.00 0.00 C +ATOM 232 CG ARG A 16 5.399 1.393 -4.024 1.00 0.00 C +ATOM 233 CD ARG A 16 4.125 1.223 -4.857 1.00 0.00 C +ATOM 234 NE ARG A 16 3.497 2.535 -5.114 1.00 0.00 N +ATOM 235 CZ ARG A 16 2.320 2.983 -4.685 1.00 0.00 C +ATOM 236 NH1 ARG A 16 1.482 2.226 -4.014 1.00 0.00 N +ATOM 237 NH2 ARG A 16 1.953 4.216 -4.940 1.00 0.00 N +ATOM 238 H ARG A 16 7.238 -1.952 -2.530 1.00 0.00 H +ATOM 239 HA ARG A 16 7.984 0.787 -3.176 1.00 0.00 H +ATOM 240 HB2 ARG A 16 6.312 -0.490 -4.465 1.00 0.00 H +ATOM 241 HB3 ARG A 16 5.238 -0.540 -3.076 1.00 0.00 H +ATOM 242 HG2 ARG A 16 5.163 1.964 -3.147 1.00 0.00 H +ATOM 243 HG3 ARG A 16 6.135 1.947 -4.608 1.00 0.00 H +ATOM 244 HD2 ARG A 16 4.374 0.761 -5.793 1.00 0.00 H +ATOM 245 HD3 ARG A 16 3.445 0.561 -4.322 1.00 0.00 H +ATOM 246 HE ARG A 16 4.053 3.192 -5.635 1.00 0.00 H +ATOM 247 HH11 ARG A 16 1.728 1.264 -3.884 1.00 0.00 H +ATOM 248 HH12 ARG A 16 0.601 2.578 -3.692 1.00 0.00 H +ATOM 249 HH21 ARG A 16 2.560 4.835 -5.449 1.00 0.00 H +ATOM 250 HH22 ARG A 16 1.060 4.549 -4.627 1.00 0.00 H +ATOM 251 N PRO A 17 7.132 2.251 -1.190 1.00 0.00 N +ATOM 252 CA PRO A 17 6.721 3.035 -0.016 1.00 0.00 C +ATOM 253 C PRO A 17 5.194 3.259 0.062 1.00 0.00 C +ATOM 254 O PRO A 17 4.507 3.162 -0.959 1.00 0.00 O +ATOM 255 CB PRO A 17 7.473 4.368 -0.143 1.00 0.00 C +ATOM 256 CG PRO A 17 7.674 4.523 -1.648 1.00 0.00 C +ATOM 257 CD PRO A 17 7.904 3.085 -2.103 1.00 0.00 C +ATOM 258 HA PRO A 17 7.053 2.520 0.885 1.00 0.00 H +ATOM 259 HB2 PRO A 17 6.889 5.177 0.251 1.00 0.00 H +ATOM 260 HB3 PRO A 17 8.446 4.287 0.346 1.00 0.00 H +ATOM 261 HG2 PRO A 17 6.803 4.942 -2.114 1.00 0.00 H +ATOM 262 HG3 PRO A 17 8.524 5.165 -1.882 1.00 0.00 H +ATOM 263 HD2 PRO A 17 7.561 2.953 -3.111 1.00 0.00 H +ATOM 264 HD3 PRO A 17 8.962 2.836 -2.011 1.00 0.00 H +ATOM 265 N PRO A 18 4.651 3.589 1.252 1.00 0.00 N +ATOM 266 CA PRO A 18 3.222 3.833 1.437 1.00 0.00 C +ATOM 267 C PRO A 18 2.772 5.142 0.759 1.00 0.00 C +ATOM 268 O PRO A 18 3.480 6.148 0.843 1.00 0.00 O +ATOM 269 CB PRO A 18 3.004 3.890 2.953 1.00 0.00 C +ATOM 270 CG PRO A 18 4.356 4.348 3.494 1.00 0.00 C +ATOM 271 CD PRO A 18 5.355 3.724 2.520 1.00 0.00 C +ATOM 272 HA PRO A 18 2.669 2.988 1.034 1.00 0.00 H +ATOM 273 HB2 PRO A 18 2.233 4.593 3.203 1.00 0.00 H +ATOM 274 HB3 PRO A 18 2.784 2.892 3.327 1.00 0.00 H +ATOM 275 HG2 PRO A 18 4.430 5.418 3.487 1.00 0.00 H +ATOM 276 HG3 PRO A 18 4.520 4.003 4.516 1.00 0.00 H +ATOM 277 HD2 PRO A 18 6.211 4.361 2.405 1.00 0.00 H +ATOM 278 HD3 PRO A 18 5.649 2.736 2.877 1.00 0.00 H +ATOM 279 N PRO A 19 1.591 5.165 0.108 1.00 0.00 N +ATOM 280 CA PRO A 19 1.031 6.371 -0.488 1.00 0.00 C +ATOM 281 C PRO A 19 0.380 7.262 0.584 1.00 0.00 C +ATOM 282 O PRO A 19 -0.321 6.767 1.470 1.00 0.00 O +ATOM 283 CB PRO A 19 0.009 5.859 -1.504 1.00 0.00 C +ATOM 284 CG PRO A 19 -0.512 4.571 -0.862 1.00 0.00 C +ATOM 285 CD PRO A 19 0.696 4.034 -0.095 1.00 0.00 C +ATOM 286 HA PRO A 19 1.809 6.936 -1.005 1.00 0.00 H +ATOM 287 HB2 PRO A 19 -0.784 6.568 -1.642 1.00 0.00 H +ATOM 288 HB3 PRO A 19 0.521 5.617 -2.437 1.00 0.00 H +ATOM 289 HG2 PRO A 19 -1.327 4.778 -0.196 1.00 0.00 H +ATOM 290 HG3 PRO A 19 -0.847 3.854 -1.611 1.00 0.00 H +ATOM 291 HD2 PRO A 19 0.386 3.632 0.850 1.00 0.00 H +ATOM 292 HD3 PRO A 19 1.206 3.279 -0.693 1.00 0.00 H +ATOM 293 N SER A 20 0.592 8.578 0.472 1.00 0.00 N +ATOM 294 CA SER A 20 0.019 9.620 1.329 1.00 0.00 C +ATOM 295 C SER A 20 -0.235 10.875 0.498 1.00 0.00 C +ATOM 296 O SER A 20 0.745 11.327 -0.137 1.00 0.00 O +ATOM 297 CB SER A 20 0.977 9.898 2.490 1.00 0.00 C +ATOM 298 OG SER A 20 0.308 10.641 3.489 1.00 0.00 O +ATOM 299 OXT SER A 20 -1.409 11.298 0.440 1.00 0.00 O +ATOM 300 H SER A 20 1.168 8.935 -0.278 1.00 0.00 H +ATOM 301 HA SER A 20 -0.939 9.293 1.731 1.00 0.00 H +ATOM 302 HB2 SER A 20 1.316 8.968 2.904 1.00 0.00 H +ATOM 303 HB3 SER A 20 1.845 10.449 2.120 1.00 0.00 H +ATOM 304 HG SER A 20 0.955 10.989 4.106 1.00 0.00 H +TER 305 SER A 20 +ENDMDL +MODEL 10 +ATOM 1 N ASN A 1 -6.943 6.963 0.951 1.00 0.00 N +ATOM 2 CA ASN A 1 -7.689 6.240 -0.107 1.00 0.00 C +ATOM 3 C ASN A 1 -6.888 5.124 -0.770 1.00 0.00 C +ATOM 4 O ASN A 1 -7.377 4.006 -0.773 1.00 0.00 O +ATOM 5 CB ASN A 1 -8.340 7.202 -1.116 1.00 0.00 C +ATOM 6 CG ASN A 1 -9.413 8.048 -0.430 1.00 0.00 C +ATOM 7 OD1 ASN A 1 -9.573 7.981 0.781 1.00 0.00 O +ATOM 8 ND2 ASN A 1 -10.146 8.872 -1.153 1.00 0.00 N +ATOM 9 H1 ASN A 1 -6.551 6.315 1.619 1.00 0.00 H +ATOM 10 H2 ASN A 1 -6.210 7.532 0.552 1.00 0.00 H +ATOM 11 H3 ASN A 1 -7.600 7.571 1.435 1.00 0.00 H +ATOM 12 HA ASN A 1 -8.514 5.723 0.389 1.00 0.00 H +ATOM 13 HB2 ASN A 1 -7.587 7.849 -1.524 1.00 0.00 H +ATOM 14 HB3 ASN A 1 -8.816 6.622 -1.909 1.00 0.00 H +ATOM 15 HD21 ASN A 1 -10.039 8.989 -2.148 1.00 0.00 H +ATOM 16 HD22 ASN A 1 -10.843 9.380 -0.632 1.00 0.00 H +ATOM 17 N LEU A 2 -5.683 5.360 -1.308 1.00 0.00 N +ATOM 18 CA LEU A 2 -4.939 4.305 -2.022 1.00 0.00 C +ATOM 19 C LEU A 2 -4.268 3.260 -1.097 1.00 0.00 C +ATOM 20 O LEU A 2 -3.716 2.270 -1.573 1.00 0.00 O +ATOM 21 CB LEU A 2 -3.943 4.985 -2.983 1.00 0.00 C +ATOM 22 CG LEU A 2 -3.510 4.134 -4.197 1.00 0.00 C +ATOM 23 CD1 LEU A 2 -4.689 3.815 -5.127 1.00 0.00 C +ATOM 24 CD2 LEU A 2 -2.467 4.910 -5.004 1.00 0.00 C +ATOM 25 H LEU A 2 -5.289 6.289 -1.343 1.00 0.00 H +ATOM 26 HA LEU A 2 -5.665 3.756 -2.620 1.00 0.00 H +ATOM 27 HB2 LEU A 2 -4.400 5.882 -3.353 1.00 0.00 H +ATOM 28 HB3 LEU A 2 -3.059 5.272 -2.417 1.00 0.00 H +ATOM 29 HG LEU A 2 -3.055 3.203 -3.864 1.00 0.00 H +ATOM 30 HD11 LEU A 2 -5.375 3.120 -4.648 1.00 0.00 H +ATOM 31 HD12 LEU A 2 -5.221 4.730 -5.390 1.00 0.00 H +ATOM 32 HD13 LEU A 2 -4.321 3.345 -6.040 1.00 0.00 H +ATOM 33 HD21 LEU A 2 -2.887 5.852 -5.359 1.00 0.00 H +ATOM 34 HD22 LEU A 2 -1.596 5.115 -4.384 1.00 0.00 H +ATOM 35 HD23 LEU A 2 -2.147 4.317 -5.861 1.00 0.00 H +ATOM 36 N TYR A 3 -4.340 3.443 0.228 1.00 0.00 N +ATOM 37 CA TYR A 3 -3.683 2.595 1.228 1.00 0.00 C +ATOM 38 C TYR A 3 -4.096 1.115 1.160 1.00 0.00 C +ATOM 39 O TYR A 3 -3.266 0.248 1.427 1.00 0.00 O +ATOM 40 CB TYR A 3 -3.925 3.179 2.630 1.00 0.00 C +ATOM 41 CG TYR A 3 -2.760 2.970 3.580 1.00 0.00 C +ATOM 42 CD1 TYR A 3 -1.680 3.874 3.561 1.00 0.00 C +ATOM 43 CD2 TYR A 3 -2.753 1.884 4.475 1.00 0.00 C +ATOM 44 CE1 TYR A 3 -0.588 3.691 4.430 1.00 0.00 C +ATOM 45 CE2 TYR A 3 -1.662 1.698 5.348 1.00 0.00 C +ATOM 46 CZ TYR A 3 -0.577 2.599 5.325 1.00 0.00 C +ATOM 47 OH TYR A 3 0.476 2.408 6.162 1.00 0.00 O +ATOM 48 H TYR A 3 -4.813 4.268 0.548 1.00 0.00 H +ATOM 49 HA TYR A 3 -2.609 2.637 1.035 1.00 0.00 H +ATOM 50 HB2 TYR A 3 -4.100 4.233 2.534 1.00 0.00 H +ATOM 51 HB3 TYR A 3 -4.832 2.746 3.057 1.00 0.00 H +ATOM 52 HD1 TYR A 3 -1.686 4.718 2.886 1.00 0.00 H +ATOM 53 HD2 TYR A 3 -3.582 1.193 4.494 1.00 0.00 H +ATOM 54 HE1 TYR A 3 0.229 4.396 4.422 1.00 0.00 H +ATOM 55 HE2 TYR A 3 -1.639 0.873 6.042 1.00 0.00 H +ATOM 56 HH TYR A 3 1.215 2.981 5.950 1.00 0.00 H +ATOM 57 N ILE A 4 -5.333 0.810 0.732 1.00 0.00 N +ATOM 58 CA ILE A 4 -5.790 -0.565 0.464 1.00 0.00 C +ATOM 59 C ILE A 4 -4.909 -1.223 -0.610 1.00 0.00 C +ATOM 60 O ILE A 4 -4.439 -2.342 -0.417 1.00 0.00 O +ATOM 61 CB ILE A 4 -7.285 -0.604 0.049 1.00 0.00 C +ATOM 62 CG1 ILE A 4 -8.234 0.069 1.074 1.00 0.00 C +ATOM 63 CG2 ILE A 4 -7.764 -2.056 -0.139 1.00 0.00 C +ATOM 64 CD1 ILE A 4 -8.662 1.477 0.657 1.00 0.00 C +ATOM 65 H ILE A 4 -5.959 1.576 0.529 1.00 0.00 H +ATOM 66 HA ILE A 4 -5.679 -1.148 1.381 1.00 0.00 H +ATOM 67 HB ILE A 4 -7.388 -0.102 -0.916 1.00 0.00 H +ATOM 68 HG12 ILE A 4 -9.112 -0.539 1.177 1.00 0.00 H +ATOM 69 HG13 ILE A 4 -7.760 0.113 2.055 1.00 0.00 H +ATOM 70 HG21 ILE A 4 -7.127 -2.599 -0.836 1.00 0.00 H +ATOM 71 HG22 ILE A 4 -7.772 -2.577 0.819 1.00 0.00 H +ATOM 72 HG23 ILE A 4 -8.776 -2.054 -0.550 1.00 0.00 H +ATOM 73 HD11 ILE A 4 -7.813 2.149 0.745 1.00 0.00 H +ATOM 74 HD12 ILE A 4 -9.034 1.472 -0.368 1.00 0.00 H +ATOM 75 HD13 ILE A 4 -9.458 1.827 1.316 1.00 0.00 H +ATOM 76 N GLN A 5 -4.664 -0.521 -1.727 1.00 0.00 N +ATOM 77 CA GLN A 5 -3.843 -0.981 -2.852 1.00 0.00 C +ATOM 78 C GLN A 5 -2.374 -1.203 -2.455 1.00 0.00 C +ATOM 79 O GLN A 5 -1.735 -2.102 -2.996 1.00 0.00 O +ATOM 80 CB GLN A 5 -3.966 0.016 -4.026 1.00 0.00 C +ATOM 81 CG GLN A 5 -4.731 -0.540 -5.248 1.00 0.00 C +ATOM 82 CD GLN A 5 -3.839 -0.991 -6.408 1.00 0.00 C +ATOM 83 OE1 GLN A 5 -2.801 -0.426 -6.704 1.00 0.00 O +ATOM 84 NE2 GLN A 5 -4.226 -2.006 -7.158 1.00 0.00 N +ATOM 85 H GLN A 5 -4.986 0.437 -1.755 1.00 0.00 H +ATOM 86 HA GLN A 5 -4.229 -1.945 -3.174 1.00 0.00 H +ATOM 87 HB2 GLN A 5 -4.481 0.889 -3.674 1.00 0.00 H +ATOM 88 HB3 GLN A 5 -2.974 0.357 -4.328 1.00 0.00 H +ATOM 89 HG2 GLN A 5 -5.311 -1.383 -4.925 1.00 0.00 H +ATOM 90 HG3 GLN A 5 -5.374 0.252 -5.631 1.00 0.00 H +ATOM 91 HE21 GLN A 5 -5.133 -2.431 -7.060 1.00 0.00 H +ATOM 92 HE22 GLN A 5 -3.683 -2.060 -8.004 1.00 0.00 H +ATOM 93 N TRP A 6 -1.859 -0.430 -1.488 1.00 0.00 N +ATOM 94 CA TRP A 6 -0.534 -0.641 -0.897 1.00 0.00 C +ATOM 95 C TRP A 6 -0.505 -1.815 0.100 1.00 0.00 C +ATOM 96 O TRP A 6 0.412 -2.635 0.060 1.00 0.00 O +ATOM 97 CB TRP A 6 -0.068 0.666 -0.245 1.00 0.00 C +ATOM 98 CG TRP A 6 1.303 0.611 0.356 1.00 0.00 C +ATOM 99 CD1 TRP A 6 2.468 0.703 -0.325 1.00 0.00 C +ATOM 100 CD2 TRP A 6 1.674 0.434 1.758 1.00 0.00 C +ATOM 101 NE1 TRP A 6 3.528 0.564 0.550 1.00 0.00 N +ATOM 102 CE2 TRP A 6 3.097 0.425 1.849 1.00 0.00 C +ATOM 103 CE3 TRP A 6 0.953 0.284 2.960 1.00 0.00 C +ATOM 104 CZ2 TRP A 6 3.775 0.299 3.069 1.00 0.00 C +ATOM 105 CZ3 TRP A 6 1.622 0.134 4.190 1.00 0.00 C +ATOM 106 CH2 TRP A 6 3.026 0.159 4.250 1.00 0.00 C +ATOM 107 H TRP A 6 -2.448 0.312 -1.131 1.00 0.00 H +ATOM 108 HA TRP A 6 0.169 -0.885 -1.694 1.00 0.00 H +ATOM 109 HB2 TRP A 6 -0.074 1.434 -0.994 1.00 0.00 H +ATOM 110 HB3 TRP A 6 -0.776 0.954 0.532 1.00 0.00 H +ATOM 111 HD1 TRP A 6 2.556 0.855 -1.394 1.00 0.00 H +ATOM 112 HE1 TRP A 6 4.512 0.575 0.270 1.00 0.00 H +ATOM 113 HE3 TRP A 6 -0.126 0.291 2.931 1.00 0.00 H +ATOM 114 HZ2 TRP A 6 4.854 0.309 3.090 1.00 0.00 H +ATOM 115 HZ3 TRP A 6 1.050 0.016 5.100 1.00 0.00 H +ATOM 116 HH2 TRP A 6 3.527 0.067 5.203 1.00 0.00 H +ATOM 117 N LEU A 7 -1.510 -1.935 0.978 1.00 0.00 N +ATOM 118 CA LEU A 7 -1.599 -3.048 1.926 1.00 0.00 C +ATOM 119 C LEU A 7 -1.809 -4.403 1.239 1.00 0.00 C +ATOM 120 O LEU A 7 -1.124 -5.355 1.613 1.00 0.00 O +ATOM 121 CB LEU A 7 -2.699 -2.798 2.974 1.00 0.00 C +ATOM 122 CG LEU A 7 -2.286 -1.852 4.119 1.00 0.00 C +ATOM 123 CD1 LEU A 7 -3.491 -1.640 5.038 1.00 0.00 C +ATOM 124 CD2 LEU A 7 -1.140 -2.415 4.972 1.00 0.00 C +ATOM 125 H LEU A 7 -2.224 -1.210 1.007 1.00 0.00 H +ATOM 126 HA LEU A 7 -0.640 -3.131 2.434 1.00 0.00 H +ATOM 127 HB2 LEU A 7 -3.547 -2.370 2.475 1.00 0.00 H +ATOM 128 HB3 LEU A 7 -2.977 -3.755 3.419 1.00 0.00 H +ATOM 129 HG LEU A 7 -1.983 -0.891 3.707 1.00 0.00 H +ATOM 130 HD11 LEU A 7 -4.312 -1.199 4.473 1.00 0.00 H +ATOM 131 HD12 LEU A 7 -3.814 -2.592 5.458 1.00 0.00 H +ATOM 132 HD13 LEU A 7 -3.224 -0.969 5.855 1.00 0.00 H +ATOM 133 HD21 LEU A 7 -1.389 -3.418 5.318 1.00 0.00 H +ATOM 134 HD22 LEU A 7 -0.217 -2.452 4.397 1.00 0.00 H +ATOM 135 HD23 LEU A 7 -0.968 -1.773 5.834 1.00 0.00 H +ATOM 136 N LYS A 8 -2.697 -4.510 0.235 1.00 0.00 N +ATOM 137 CA LYS A 8 -2.957 -5.783 -0.469 1.00 0.00 C +ATOM 138 C LYS A 8 -1.729 -6.374 -1.170 1.00 0.00 C +ATOM 139 O LYS A 8 -1.710 -7.566 -1.460 1.00 0.00 O +ATOM 140 CB LYS A 8 -4.168 -5.663 -1.419 1.00 0.00 C +ATOM 141 CG LYS A 8 -4.006 -4.746 -2.644 1.00 0.00 C +ATOM 142 CD LYS A 8 -3.193 -5.323 -3.812 1.00 0.00 C +ATOM 143 CE LYS A 8 -3.386 -4.457 -5.061 1.00 0.00 C +ATOM 144 NZ LYS A 8 -2.231 -4.566 -5.977 1.00 0.00 N +ATOM 145 H LYS A 8 -3.247 -3.686 -0.007 1.00 0.00 H +ATOM 146 HA LYS A 8 -3.228 -6.519 0.290 1.00 0.00 H +ATOM 147 HB2 LYS A 8 -4.396 -6.648 -1.779 1.00 0.00 H +ATOM 148 HB3 LYS A 8 -5.007 -5.283 -0.833 1.00 0.00 H +ATOM 149 HG2 LYS A 8 -4.987 -4.511 -3.011 1.00 0.00 H +ATOM 150 HG3 LYS A 8 -3.534 -3.825 -2.321 1.00 0.00 H +ATOM 151 HD2 LYS A 8 -2.153 -5.339 -3.548 1.00 0.00 H +ATOM 152 HD3 LYS A 8 -3.497 -6.350 -4.023 1.00 0.00 H +ATOM 153 HE2 LYS A 8 -4.271 -4.779 -5.575 1.00 0.00 H +ATOM 154 HE3 LYS A 8 -3.483 -3.417 -4.746 1.00 0.00 H +ATOM 155 HZ1 LYS A 8 -1.362 -4.377 -5.451 1.00 0.00 H +ATOM 156 HZ2 LYS A 8 -2.123 -5.504 -6.333 1.00 0.00 H +ATOM 157 HZ3 LYS A 8 -2.292 -3.898 -6.731 1.00 0.00 H +ATOM 158 N ASP A 9 -0.707 -5.552 -1.426 1.00 0.00 N +ATOM 159 CA ASP A 9 0.589 -5.960 -1.966 1.00 0.00 C +ATOM 160 C ASP A 9 1.516 -6.588 -0.906 1.00 0.00 C +ATOM 161 O ASP A 9 2.485 -7.250 -1.274 1.00 0.00 O +ATOM 162 CB ASP A 9 1.253 -4.722 -2.594 1.00 0.00 C +ATOM 163 CG ASP A 9 1.159 -4.718 -4.115 1.00 0.00 C +ATOM 164 OD1 ASP A 9 0.038 -4.607 -4.656 1.00 0.00 O +ATOM 165 OD2 ASP A 9 2.240 -4.782 -4.738 1.00 0.00 O +ATOM 166 H ASP A 9 -0.829 -4.576 -1.196 1.00 0.00 H +ATOM 167 HA ASP A 9 0.438 -6.713 -2.742 1.00 0.00 H +ATOM 168 HB2 ASP A 9 0.768 -3.843 -2.217 1.00 0.00 H +ATOM 169 HB3 ASP A 9 2.307 -4.701 -2.323 1.00 0.00 H +ATOM 170 N GLY A 10 1.212 -6.406 0.389 1.00 0.00 N +ATOM 171 CA GLY A 10 2.037 -6.837 1.523 1.00 0.00 C +ATOM 172 C GLY A 10 2.524 -5.698 2.431 1.00 0.00 C +ATOM 173 O GLY A 10 3.335 -5.946 3.326 1.00 0.00 O +ATOM 174 H GLY A 10 0.334 -5.944 0.606 1.00 0.00 H +ATOM 175 HA2 GLY A 10 1.452 -7.525 2.133 1.00 0.00 H +ATOM 176 HA3 GLY A 10 2.916 -7.372 1.161 1.00 0.00 H +ATOM 177 N GLY A 11 2.079 -4.450 2.212 1.00 0.00 N +ATOM 178 CA GLY A 11 2.527 -3.280 2.968 1.00 0.00 C +ATOM 179 C GLY A 11 4.060 -3.125 2.939 1.00 0.00 C +ATOM 180 O GLY A 11 4.630 -3.169 1.842 1.00 0.00 O +ATOM 181 H GLY A 11 1.473 -4.294 1.414 1.00 0.00 H +ATOM 182 HA2 GLY A 11 2.088 -2.385 2.527 1.00 0.00 H +ATOM 183 HA3 GLY A 11 2.161 -3.373 3.989 1.00 0.00 H +ATOM 184 N PRO A 12 4.753 -2.971 4.089 1.00 0.00 N +ATOM 185 CA PRO A 12 6.211 -2.791 4.140 1.00 0.00 C +ATOM 186 C PRO A 12 7.014 -3.874 3.403 1.00 0.00 C +ATOM 187 O PRO A 12 8.041 -3.574 2.797 1.00 0.00 O +ATOM 188 CB PRO A 12 6.582 -2.768 5.628 1.00 0.00 C +ATOM 189 CG PRO A 12 5.287 -2.370 6.329 1.00 0.00 C +ATOM 190 CD PRO A 12 4.205 -2.974 5.438 1.00 0.00 C +ATOM 191 HA PRO A 12 6.452 -1.822 3.699 1.00 0.00 H +ATOM 192 HB2 PRO A 12 6.909 -3.736 5.954 1.00 0.00 H +ATOM 193 HB3 PRO A 12 7.381 -2.053 5.830 1.00 0.00 H +ATOM 194 HG2 PRO A 12 5.244 -2.782 7.319 1.00 0.00 H +ATOM 195 HG3 PRO A 12 5.193 -1.282 6.336 1.00 0.00 H +ATOM 196 HD2 PRO A 12 3.982 -3.977 5.748 1.00 0.00 H +ATOM 197 HD3 PRO A 12 3.295 -2.381 5.511 1.00 0.00 H +ATOM 198 N SER A 13 6.533 -5.123 3.409 1.00 0.00 N +ATOM 199 CA SER A 13 7.187 -6.275 2.772 1.00 0.00 C +ATOM 200 C SER A 13 7.064 -6.297 1.237 1.00 0.00 C +ATOM 201 O SER A 13 7.472 -7.272 0.612 1.00 0.00 O +ATOM 202 CB SER A 13 6.637 -7.571 3.386 1.00 0.00 C +ATOM 203 OG SER A 13 6.985 -7.634 4.757 1.00 0.00 O +ATOM 204 H SER A 13 5.655 -5.302 3.884 1.00 0.00 H +ATOM 205 HA SER A 13 8.253 -6.230 2.991 1.00 0.00 H +ATOM 206 HB2 SER A 13 5.569 -7.587 3.288 1.00 0.00 H +ATOM 207 HB3 SER A 13 7.058 -8.437 2.875 1.00 0.00 H +ATOM 208 HG SER A 13 7.938 -7.738 4.830 1.00 0.00 H +ATOM 209 N SER A 14 6.524 -5.234 0.624 1.00 0.00 N +ATOM 210 CA SER A 14 6.244 -5.155 -0.818 1.00 0.00 C +ATOM 211 C SER A 14 7.352 -4.486 -1.642 1.00 0.00 C +ATOM 212 O SER A 14 7.292 -4.512 -2.869 1.00 0.00 O +ATOM 213 CB SER A 14 4.956 -4.361 -1.069 1.00 0.00 C +ATOM 214 OG SER A 14 3.953 -4.634 -0.126 1.00 0.00 O +ATOM 215 H SER A 14 6.200 -4.481 1.217 1.00 0.00 H +ATOM 216 HA SER A 14 6.093 -6.164 -1.206 1.00 0.00 H +ATOM 217 HB2 SER A 14 5.186 -3.314 -1.030 1.00 0.00 H +ATOM 218 HB3 SER A 14 4.589 -4.586 -2.070 1.00 0.00 H +ATOM 219 HG SER A 14 4.150 -4.078 0.666 1.00 0.00 H +ATOM 220 N GLY A 15 8.336 -3.840 -0.998 1.00 0.00 N +ATOM 221 CA GLY A 15 9.395 -3.094 -1.693 1.00 0.00 C +ATOM 222 C GLY A 15 8.943 -1.756 -2.301 1.00 0.00 C +ATOM 223 O GLY A 15 9.512 -1.327 -3.303 1.00 0.00 O +ATOM 224 H GLY A 15 8.352 -3.897 0.012 1.00 0.00 H +ATOM 225 HA2 GLY A 15 10.206 -2.893 -0.996 1.00 0.00 H +ATOM 226 HA3 GLY A 15 9.795 -3.712 -2.500 1.00 0.00 H +ATOM 227 N ARG A 16 7.916 -1.105 -1.732 1.00 0.00 N +ATOM 228 CA ARG A 16 7.364 0.181 -2.198 1.00 0.00 C +ATOM 229 C ARG A 16 6.867 1.046 -1.024 1.00 0.00 C +ATOM 230 O ARG A 16 6.262 0.497 -0.098 1.00 0.00 O +ATOM 231 CB ARG A 16 6.251 -0.057 -3.241 1.00 0.00 C +ATOM 232 CG ARG A 16 5.161 -1.058 -2.811 1.00 0.00 C +ATOM 233 CD ARG A 16 4.134 -1.346 -3.924 1.00 0.00 C +ATOM 234 NE ARG A 16 4.103 -2.766 -4.336 1.00 0.00 N +ATOM 235 CZ ARG A 16 5.054 -3.492 -4.909 1.00 0.00 C +ATOM 236 NH1 ARG A 16 6.220 -2.996 -5.246 1.00 0.00 N +ATOM 237 NH2 ARG A 16 4.821 -4.753 -5.163 1.00 0.00 N +ATOM 238 H ARG A 16 7.511 -1.511 -0.898 1.00 0.00 H +ATOM 239 HA ARG A 16 8.172 0.718 -2.695 1.00 0.00 H +ATOM 240 HB2 ARG A 16 5.778 0.884 -3.444 1.00 0.00 H +ATOM 241 HB3 ARG A 16 6.725 -0.430 -4.149 1.00 0.00 H +ATOM 242 HG2 ARG A 16 5.634 -1.981 -2.535 1.00 0.00 H +ATOM 243 HG3 ARG A 16 4.637 -0.670 -1.938 1.00 0.00 H +ATOM 244 HD2 ARG A 16 3.159 -1.073 -3.568 1.00 0.00 H +ATOM 245 HD3 ARG A 16 4.340 -0.723 -4.795 1.00 0.00 H +ATOM 246 HE ARG A 16 3.238 -3.299 -4.232 1.00 0.00 H +ATOM 247 HH11 ARG A 16 6.407 -2.037 -5.038 1.00 0.00 H +ATOM 248 HH12 ARG A 16 6.943 -3.615 -5.560 1.00 0.00 H +ATOM 249 HH21 ARG A 16 3.839 -5.043 -5.009 1.00 0.00 H +ATOM 250 HH22 ARG A 16 5.505 -5.381 -5.529 1.00 0.00 H +ATOM 251 N PRO A 17 7.083 2.378 -1.045 1.00 0.00 N +ATOM 252 CA PRO A 17 6.638 3.277 0.023 1.00 0.00 C +ATOM 253 C PRO A 17 5.104 3.442 0.035 1.00 0.00 C +ATOM 254 O PRO A 17 4.455 3.170 -0.978 1.00 0.00 O +ATOM 255 CB PRO A 17 7.343 4.610 -0.260 1.00 0.00 C +ATOM 256 CG PRO A 17 7.496 4.611 -1.779 1.00 0.00 C +ATOM 257 CD PRO A 17 7.741 3.138 -2.101 1.00 0.00 C +ATOM 258 HA PRO A 17 6.968 2.888 0.986 1.00 0.00 H +ATOM 259 HB2 PRO A 17 6.744 5.438 0.067 1.00 0.00 H +ATOM 260 HB3 PRO A 17 8.332 4.604 0.204 1.00 0.00 H +ATOM 261 HG2 PRO A 17 6.603 4.967 -2.256 1.00 0.00 H +ATOM 262 HG3 PRO A 17 8.328 5.240 -2.103 1.00 0.00 H +ATOM 263 HD2 PRO A 17 7.319 2.890 -3.056 1.00 0.00 H +ATOM 264 HD3 PRO A 17 8.812 2.932 -2.083 1.00 0.00 H +ATOM 265 N PRO A 18 4.512 3.890 1.161 1.00 0.00 N +ATOM 266 CA PRO A 18 3.074 4.111 1.260 1.00 0.00 C +ATOM 267 C PRO A 18 2.616 5.335 0.440 1.00 0.00 C +ATOM 268 O PRO A 18 3.395 6.265 0.230 1.00 0.00 O +ATOM 269 CB PRO A 18 2.796 4.301 2.754 1.00 0.00 C +ATOM 270 CG PRO A 18 4.105 4.879 3.287 1.00 0.00 C +ATOM 271 CD PRO A 18 5.162 4.183 2.431 1.00 0.00 C +ATOM 272 HA PRO A 18 2.556 3.220 0.910 1.00 0.00 H +ATOM 273 HB2 PRO A 18 1.983 4.984 2.910 1.00 0.00 H +ATOM 274 HB3 PRO A 18 2.610 3.329 3.214 1.00 0.00 H +ATOM 275 HG2 PRO A 18 4.140 5.943 3.153 1.00 0.00 H +ATOM 276 HG3 PRO A 18 4.240 4.666 4.348 1.00 0.00 H +ATOM 277 HD2 PRO A 18 6.005 4.829 2.279 1.00 0.00 H +ATOM 278 HD3 PRO A 18 5.463 3.249 2.906 1.00 0.00 H +ATOM 279 N PRO A 19 1.341 5.370 0.004 1.00 0.00 N +ATOM 280 CA PRO A 19 0.777 6.481 -0.754 1.00 0.00 C +ATOM 281 C PRO A 19 0.447 7.673 0.157 1.00 0.00 C +ATOM 282 O PRO A 19 -0.482 7.605 0.965 1.00 0.00 O +ATOM 283 CB PRO A 19 -0.466 5.904 -1.437 1.00 0.00 C +ATOM 284 CG PRO A 19 -0.933 4.811 -0.475 1.00 0.00 C +ATOM 285 CD PRO A 19 0.371 4.292 0.127 1.00 0.00 C +ATOM 286 HA PRO A 19 1.481 6.804 -1.523 1.00 0.00 H +ATOM 287 HB2 PRO A 19 -1.221 6.657 -1.557 1.00 0.00 H +ATOM 288 HB3 PRO A 19 -0.172 5.448 -2.384 1.00 0.00 H +ATOM 289 HG2 PRO A 19 -1.573 5.216 0.285 1.00 0.00 H +ATOM 290 HG3 PRO A 19 -1.468 4.019 -0.996 1.00 0.00 H +ATOM 291 HD2 PRO A 19 0.227 4.038 1.160 1.00 0.00 H +ATOM 292 HD3 PRO A 19 0.725 3.441 -0.450 1.00 0.00 H +ATOM 293 N SER A 20 1.209 8.762 0.004 1.00 0.00 N +ATOM 294 CA SER A 20 1.059 10.038 0.716 1.00 0.00 C +ATOM 295 C SER A 20 1.217 11.216 -0.248 1.00 0.00 C +ATOM 296 O SER A 20 2.389 11.403 -0.664 1.00 0.00 O +ATOM 297 CB SER A 20 2.098 10.115 1.845 1.00 0.00 C +ATOM 298 OG SER A 20 3.359 10.263 1.230 1.00 0.00 O +ATOM 299 OXT SER A 20 0.202 11.886 -0.520 1.00 0.00 O +ATOM 300 H SER A 20 1.991 8.709 -0.634 1.00 0.00 H +ATOM 301 HA SER A 20 0.060 10.107 1.146 1.00 0.00 H +ATOM 302 HB2 SER A 20 1.894 10.958 2.477 1.00 0.00 H +ATOM 303 HB3 SER A 20 2.070 9.211 2.456 1.00 0.00 H +ATOM 304 HG SER A 20 3.120 10.769 0.374 1.00 0.00 H +TER 305 SER A 20 +ENDMDL +MODEL 11 +ATOM 1 N ASN A 1 -6.688 7.436 -0.473 1.00 0.00 N +ATOM 2 CA ASN A 1 -7.529 6.238 -0.712 1.00 0.00 C +ATOM 3 C ASN A 1 -6.749 5.006 -1.210 1.00 0.00 C +ATOM 4 O ASN A 1 -7.279 3.906 -1.158 1.00 0.00 O +ATOM 5 CB ASN A 1 -8.713 6.573 -1.639 1.00 0.00 C +ATOM 6 CG ASN A 1 -9.880 5.632 -1.366 1.00 0.00 C +ATOM 7 OD1 ASN A 1 -10.413 5.629 -0.269 1.00 0.00 O +ATOM 8 ND2 ASN A 1 -10.300 4.816 -2.315 1.00 0.00 N +ATOM 9 H1 ASN A 1 -5.936 7.221 0.168 1.00 0.00 H +ATOM 10 H2 ASN A 1 -6.305 7.780 -1.344 1.00 0.00 H +ATOM 11 H3 ASN A 1 -7.252 8.169 -0.065 1.00 0.00 H +ATOM 12 HA ASN A 1 -7.963 5.944 0.246 1.00 0.00 H +ATOM 13 HB2 ASN A 1 -9.025 7.584 -1.463 1.00 0.00 H +ATOM 14 HB3 ASN A 1 -8.412 6.523 -2.686 1.00 0.00 H +ATOM 15 HD21 ASN A 1 -9.869 4.743 -3.220 1.00 0.00 H +ATOM 16 HD22 ASN A 1 -11.067 4.224 -2.039 1.00 0.00 H +ATOM 17 N LEU A 2 -5.494 5.147 -1.665 1.00 0.00 N +ATOM 18 CA LEU A 2 -4.691 4.051 -2.237 1.00 0.00 C +ATOM 19 C LEU A 2 -4.046 3.125 -1.181 1.00 0.00 C +ATOM 20 O LEU A 2 -3.429 2.120 -1.531 1.00 0.00 O +ATOM 21 CB LEU A 2 -3.615 4.692 -3.131 1.00 0.00 C +ATOM 22 CG LEU A 2 -4.196 5.327 -4.413 1.00 0.00 C +ATOM 23 CD1 LEU A 2 -3.432 6.605 -4.768 1.00 0.00 C +ATOM 24 CD2 LEU A 2 -4.134 4.351 -5.589 1.00 0.00 C +ATOM 25 H LEU A 2 -5.038 6.044 -1.695 1.00 0.00 H +ATOM 26 HA LEU A 2 -5.328 3.419 -2.859 1.00 0.00 H +ATOM 27 HB2 LEU A 2 -3.113 5.455 -2.568 1.00 0.00 H +ATOM 28 HB3 LEU A 2 -2.872 3.942 -3.409 1.00 0.00 H +ATOM 29 HG LEU A 2 -5.238 5.607 -4.254 1.00 0.00 H +ATOM 30 HD11 LEU A 2 -3.529 7.331 -3.961 1.00 0.00 H +ATOM 31 HD12 LEU A 2 -2.377 6.382 -4.926 1.00 0.00 H +ATOM 32 HD13 LEU A 2 -3.850 7.041 -5.676 1.00 0.00 H +ATOM 33 HD21 LEU A 2 -3.107 4.029 -5.760 1.00 0.00 H +ATOM 34 HD22 LEU A 2 -4.756 3.481 -5.378 1.00 0.00 H +ATOM 35 HD23 LEU A 2 -4.508 4.834 -6.491 1.00 0.00 H +ATOM 36 N TYR A 3 -4.195 3.445 0.111 1.00 0.00 N +ATOM 37 CA TYR A 3 -3.594 2.700 1.221 1.00 0.00 C +ATOM 38 C TYR A 3 -4.029 1.227 1.239 1.00 0.00 C +ATOM 39 O TYR A 3 -3.224 0.352 1.545 1.00 0.00 O +ATOM 40 CB TYR A 3 -3.934 3.395 2.550 1.00 0.00 C +ATOM 41 CG TYR A 3 -2.766 3.426 3.514 1.00 0.00 C +ATOM 42 CD1 TYR A 3 -2.442 2.278 4.260 1.00 0.00 C +ATOM 43 CD2 TYR A 3 -1.987 4.594 3.643 1.00 0.00 C +ATOM 44 CE1 TYR A 3 -1.344 2.291 5.138 1.00 0.00 C +ATOM 45 CE2 TYR A 3 -0.891 4.614 4.527 1.00 0.00 C +ATOM 46 CZ TYR A 3 -0.566 3.461 5.272 1.00 0.00 C +ATOM 47 OH TYR A 3 0.481 3.472 6.138 1.00 0.00 O +ATOM 48 H TYR A 3 -4.719 4.274 0.329 1.00 0.00 H +ATOM 49 HA TYR A 3 -2.512 2.721 1.090 1.00 0.00 H +ATOM 50 HB2 TYR A 3 -4.233 4.404 2.342 1.00 0.00 H +ATOM 51 HB3 TYR A 3 -4.777 2.889 3.026 1.00 0.00 H +ATOM 52 HD1 TYR A 3 -3.039 1.385 4.148 1.00 0.00 H +ATOM 53 HD2 TYR A 3 -2.219 5.478 3.065 1.00 0.00 H +ATOM 54 HE1 TYR A 3 -1.086 1.416 5.715 1.00 0.00 H +ATOM 55 HE2 TYR A 3 -0.292 5.509 4.627 1.00 0.00 H +ATOM 56 HH TYR A 3 0.250 3.913 6.958 1.00 0.00 H +ATOM 57 N ILE A 4 -5.286 0.955 0.858 1.00 0.00 N +ATOM 58 CA ILE A 4 -5.847 -0.393 0.739 1.00 0.00 C +ATOM 59 C ILE A 4 -5.076 -1.179 -0.327 1.00 0.00 C +ATOM 60 O ILE A 4 -4.596 -2.269 -0.040 1.00 0.00 O +ATOM 61 CB ILE A 4 -7.361 -0.341 0.420 1.00 0.00 C +ATOM 62 CG1 ILE A 4 -8.160 0.545 1.415 1.00 0.00 C +ATOM 63 CG2 ILE A 4 -7.962 -1.760 0.413 1.00 0.00 C +ATOM 64 CD1 ILE A 4 -9.201 1.423 0.710 1.00 0.00 C +ATOM 65 H ILE A 4 -5.875 1.740 0.624 1.00 0.00 H +ATOM 66 HA ILE A 4 -5.714 -0.910 1.692 1.00 0.00 H +ATOM 67 HB ILE A 4 -7.471 0.071 -0.583 1.00 0.00 H +ATOM 68 HG12 ILE A 4 -8.664 -0.092 2.116 1.00 0.00 H +ATOM 69 HG13 ILE A 4 -7.498 1.210 1.968 1.00 0.00 H +ATOM 70 HG21 ILE A 4 -7.462 -2.390 -0.323 1.00 0.00 H +ATOM 71 HG22 ILE A 4 -7.853 -2.219 1.398 1.00 0.00 H +ATOM 72 HG23 ILE A 4 -9.022 -1.713 0.159 1.00 0.00 H +ATOM 73 HD11 ILE A 4 -8.755 1.914 -0.157 1.00 0.00 H +ATOM 74 HD12 ILE A 4 -10.046 0.816 0.386 1.00 0.00 H +ATOM 75 HD13 ILE A 4 -9.552 2.192 1.399 1.00 0.00 H +ATOM 76 N GLN A 5 -4.908 -0.611 -1.532 1.00 0.00 N +ATOM 77 CA GLN A 5 -4.116 -1.188 -2.627 1.00 0.00 C +ATOM 78 C GLN A 5 -2.676 -1.485 -2.194 1.00 0.00 C +ATOM 79 O GLN A 5 -2.183 -2.586 -2.432 1.00 0.00 O +ATOM 80 CB GLN A 5 -4.133 -0.239 -3.843 1.00 0.00 C +ATOM 81 CG GLN A 5 -5.217 -0.612 -4.859 1.00 0.00 C +ATOM 82 CD GLN A 5 -5.369 0.472 -5.923 1.00 0.00 C +ATOM 83 OE1 GLN A 5 -6.272 1.289 -5.876 1.00 0.00 O +ATOM 84 NE2 GLN A 5 -4.484 0.535 -6.899 1.00 0.00 N +ATOM 85 H GLN A 5 -5.264 0.324 -1.655 1.00 0.00 H +ATOM 86 HA GLN A 5 -4.559 -2.141 -2.917 1.00 0.00 H +ATOM 87 HB2 GLN A 5 -4.314 0.761 -3.498 1.00 0.00 H +ATOM 88 HB3 GLN A 5 -3.168 -0.273 -4.350 1.00 0.00 H +ATOM 89 HG2 GLN A 5 -4.948 -1.535 -5.335 1.00 0.00 H +ATOM 90 HG3 GLN A 5 -6.173 -0.735 -4.347 1.00 0.00 H +ATOM 91 HE21 GLN A 5 -3.716 -0.109 -6.984 1.00 0.00 H +ATOM 92 HE22 GLN A 5 -4.657 1.272 -7.562 1.00 0.00 H +ATOM 93 N TRP A 6 -2.015 -0.526 -1.535 1.00 0.00 N +ATOM 94 CA TRP A 6 -0.661 -0.714 -1.009 1.00 0.00 C +ATOM 95 C TRP A 6 -0.581 -1.833 0.042 1.00 0.00 C +ATOM 96 O TRP A 6 0.287 -2.706 -0.046 1.00 0.00 O +ATOM 97 CB TRP A 6 -0.147 0.614 -0.453 1.00 0.00 C +ATOM 98 CG TRP A 6 1.240 0.540 0.100 1.00 0.00 C +ATOM 99 CD1 TRP A 6 2.369 0.426 -0.635 1.00 0.00 C +ATOM 100 CD2 TRP A 6 1.668 0.524 1.498 1.00 0.00 C +ATOM 101 NE1 TRP A 6 3.457 0.329 0.207 1.00 0.00 N +ATOM 102 CE2 TRP A 6 3.087 0.401 1.528 1.00 0.00 C +ATOM 103 CE3 TRP A 6 1.008 0.607 2.744 1.00 0.00 C +ATOM 104 CZ2 TRP A 6 3.824 0.375 2.719 1.00 0.00 C +ATOM 105 CZ3 TRP A 6 1.737 0.578 3.950 1.00 0.00 C +ATOM 106 CH2 TRP A 6 3.140 0.468 3.941 1.00 0.00 C +ATOM 107 H TRP A 6 -2.482 0.369 -1.404 1.00 0.00 H +ATOM 108 HA TRP A 6 -0.009 -1.011 -1.832 1.00 0.00 H +ATOM 109 HB2 TRP A 6 -0.158 1.339 -1.244 1.00 0.00 H +ATOM 110 HB3 TRP A 6 -0.819 0.959 0.333 1.00 0.00 H +ATOM 111 HD1 TRP A 6 2.409 0.399 -1.716 1.00 0.00 H +ATOM 112 HE1 TRP A 6 4.432 0.245 -0.091 1.00 0.00 H +ATOM 113 HE3 TRP A 6 -0.065 0.714 2.764 1.00 0.00 H +ATOM 114 HZ2 TRP A 6 4.901 0.285 2.682 1.00 0.00 H +ATOM 115 HZ3 TRP A 6 1.222 0.668 4.895 1.00 0.00 H +ATOM 116 HH2 TRP A 6 3.687 0.462 4.872 1.00 0.00 H +ATOM 117 N LEU A 7 -1.500 -1.852 1.018 1.00 0.00 N +ATOM 118 CA LEU A 7 -1.566 -2.933 2.003 1.00 0.00 C +ATOM 119 C LEU A 7 -1.887 -4.289 1.365 1.00 0.00 C +ATOM 120 O LEU A 7 -1.341 -5.295 1.810 1.00 0.00 O +ATOM 121 CB LEU A 7 -2.578 -2.606 3.117 1.00 0.00 C +ATOM 122 CG LEU A 7 -2.079 -1.558 4.127 1.00 0.00 C +ATOM 123 CD1 LEU A 7 -3.224 -1.188 5.075 1.00 0.00 C +ATOM 124 CD2 LEU A 7 -0.891 -2.038 4.980 1.00 0.00 C +ATOM 125 H LEU A 7 -2.182 -1.096 1.068 1.00 0.00 H +ATOM 126 HA LEU A 7 -0.574 -3.041 2.436 1.00 0.00 H +ATOM 127 HB2 LEU A 7 -3.475 -2.234 2.660 1.00 0.00 H +ATOM 128 HB3 LEU A 7 -2.812 -3.520 3.665 1.00 0.00 H +ATOM 129 HG LEU A 7 -1.776 -0.664 3.583 1.00 0.00 H +ATOM 130 HD11 LEU A 7 -4.066 -0.795 4.505 1.00 0.00 H +ATOM 131 HD12 LEU A 7 -3.553 -2.070 5.626 1.00 0.00 H +ATOM 132 HD13 LEU A 7 -2.889 -0.433 5.787 1.00 0.00 H +ATOM 133 HD21 LEU A 7 -1.235 -2.453 5.927 1.00 0.00 H +ATOM 134 HD22 LEU A 7 -0.314 -2.808 4.473 1.00 0.00 H +ATOM 135 HD23 LEU A 7 -0.234 -1.196 5.184 1.00 0.00 H +ATOM 136 N LYS A 8 -2.711 -4.325 0.308 1.00 0.00 N +ATOM 137 CA LYS A 8 -3.090 -5.545 -0.417 1.00 0.00 C +ATOM 138 C LYS A 8 -1.889 -6.299 -0.992 1.00 0.00 C +ATOM 139 O LYS A 8 -1.885 -7.526 -0.985 1.00 0.00 O +ATOM 140 CB LYS A 8 -4.077 -5.189 -1.537 1.00 0.00 C +ATOM 141 CG LYS A 8 -4.961 -6.377 -1.915 1.00 0.00 C +ATOM 142 CD LYS A 8 -6.092 -5.927 -2.853 1.00 0.00 C +ATOM 143 CE LYS A 8 -6.345 -6.989 -3.925 1.00 0.00 C +ATOM 144 NZ LYS A 8 -7.706 -6.871 -4.496 1.00 0.00 N +ATOM 145 H LYS A 8 -3.163 -3.451 0.044 1.00 0.00 H +ATOM 146 HA LYS A 8 -3.576 -6.217 0.293 1.00 0.00 H +ATOM 147 HB2 LYS A 8 -4.702 -4.383 -1.205 1.00 0.00 H +ATOM 148 HB3 LYS A 8 -3.527 -4.857 -2.421 1.00 0.00 H +ATOM 149 HG2 LYS A 8 -4.364 -7.118 -2.411 1.00 0.00 H +ATOM 150 HG3 LYS A 8 -5.410 -6.796 -1.012 1.00 0.00 H +ATOM 151 HD2 LYS A 8 -6.988 -5.780 -2.282 1.00 0.00 H +ATOM 152 HD3 LYS A 8 -5.831 -4.988 -3.347 1.00 0.00 H +ATOM 153 HE2 LYS A 8 -5.625 -6.869 -4.712 1.00 0.00 H +ATOM 154 HE3 LYS A 8 -6.210 -7.979 -3.483 1.00 0.00 H +ATOM 155 HZ1 LYS A 8 -8.393 -7.094 -3.788 1.00 0.00 H +ATOM 156 HZ2 LYS A 8 -7.869 -5.930 -4.825 1.00 0.00 H +ATOM 157 HZ3 LYS A 8 -7.818 -7.515 -5.269 1.00 0.00 H +ATOM 158 N ASP A 9 -0.879 -5.565 -1.461 1.00 0.00 N +ATOM 159 CA ASP A 9 0.388 -6.124 -1.938 1.00 0.00 C +ATOM 160 C ASP A 9 1.241 -6.707 -0.792 1.00 0.00 C +ATOM 161 O ASP A 9 2.087 -7.564 -1.026 1.00 0.00 O +ATOM 162 CB ASP A 9 1.146 -5.019 -2.691 1.00 0.00 C +ATOM 163 CG ASP A 9 2.006 -5.586 -3.819 1.00 0.00 C +ATOM 164 OD1 ASP A 9 3.181 -5.908 -3.534 1.00 0.00 O +ATOM 165 OD2 ASP A 9 1.487 -5.664 -4.954 1.00 0.00 O +ATOM 166 H ASP A 9 -0.992 -4.558 -1.468 1.00 0.00 H +ATOM 167 HA ASP A 9 0.170 -6.935 -2.635 1.00 0.00 H +ATOM 168 HB2 ASP A 9 0.435 -4.333 -3.108 1.00 0.00 H +ATOM 169 HB3 ASP A 9 1.772 -4.458 -1.992 1.00 0.00 H +ATOM 170 N GLY A 10 0.985 -6.274 0.450 1.00 0.00 N +ATOM 171 CA GLY A 10 1.737 -6.639 1.646 1.00 0.00 C +ATOM 172 C GLY A 10 2.495 -5.468 2.278 1.00 0.00 C +ATOM 173 O GLY A 10 3.461 -5.715 3.003 1.00 0.00 O +ATOM 174 H GLY A 10 0.165 -5.692 0.580 1.00 0.00 H +ATOM 175 HA2 GLY A 10 1.039 -7.025 2.389 1.00 0.00 H +ATOM 176 HA3 GLY A 10 2.442 -7.433 1.411 1.00 0.00 H +ATOM 177 N GLY A 11 2.110 -4.213 1.995 1.00 0.00 N +ATOM 178 CA GLY A 11 2.673 -3.013 2.615 1.00 0.00 C +ATOM 179 C GLY A 11 4.207 -2.948 2.501 1.00 0.00 C +ATOM 180 O GLY A 11 4.725 -3.042 1.386 1.00 0.00 O +ATOM 181 H GLY A 11 1.398 -4.072 1.288 1.00 0.00 H +ATOM 182 HA2 GLY A 11 2.258 -2.139 2.116 1.00 0.00 H +ATOM 183 HA3 GLY A 11 2.357 -2.986 3.655 1.00 0.00 H +ATOM 184 N PRO A 12 4.960 -2.809 3.616 1.00 0.00 N +ATOM 185 CA PRO A 12 6.424 -2.779 3.578 1.00 0.00 C +ATOM 186 C PRO A 12 7.069 -4.028 2.960 1.00 0.00 C +ATOM 187 O PRO A 12 8.189 -3.932 2.461 1.00 0.00 O +ATOM 188 CB PRO A 12 6.890 -2.607 5.031 1.00 0.00 C +ATOM 189 CG PRO A 12 5.663 -2.077 5.767 1.00 0.00 C +ATOM 190 CD PRO A 12 4.496 -2.685 4.991 1.00 0.00 C +ATOM 191 HA PRO A 12 6.736 -1.908 3.002 1.00 0.00 H +ATOM 192 HB2 PRO A 12 7.202 -3.547 5.443 1.00 0.00 H +ATOM 193 HB3 PRO A 12 7.726 -1.910 5.099 1.00 0.00 H +ATOM 194 HG2 PRO A 12 5.657 -2.404 6.789 1.00 0.00 H +ATOM 195 HG3 PRO A 12 5.630 -0.990 5.687 1.00 0.00 H +ATOM 196 HD2 PRO A 12 4.243 -3.649 5.389 1.00 0.00 H +ATOM 197 HD3 PRO A 12 3.623 -2.038 5.075 1.00 0.00 H +ATOM 198 N SER A 13 6.387 -5.186 2.959 1.00 0.00 N +ATOM 199 CA SER A 13 6.949 -6.443 2.439 1.00 0.00 C +ATOM 200 C SER A 13 7.314 -6.364 0.949 1.00 0.00 C +ATOM 201 O SER A 13 8.295 -6.974 0.530 1.00 0.00 O +ATOM 202 CB SER A 13 6.004 -7.621 2.705 1.00 0.00 C +ATOM 203 OG SER A 13 4.930 -7.624 1.798 1.00 0.00 O +ATOM 204 H SER A 13 5.432 -5.191 3.307 1.00 0.00 H +ATOM 205 HA SER A 13 7.871 -6.641 2.985 1.00 0.00 H +ATOM 206 HB2 SER A 13 6.551 -8.539 2.604 1.00 0.00 H +ATOM 207 HB3 SER A 13 5.606 -7.556 3.718 1.00 0.00 H +ATOM 208 HG SER A 13 4.348 -6.883 2.036 1.00 0.00 H +ATOM 209 N SER A 14 6.579 -5.561 0.169 1.00 0.00 N +ATOM 210 CA SER A 14 6.820 -5.327 -1.256 1.00 0.00 C +ATOM 211 C SER A 14 7.922 -4.294 -1.522 1.00 0.00 C +ATOM 212 O SER A 14 8.242 -4.017 -2.677 1.00 0.00 O +ATOM 213 CB SER A 14 5.537 -4.831 -1.928 1.00 0.00 C +ATOM 214 OG SER A 14 4.441 -5.626 -1.548 1.00 0.00 O +ATOM 215 H SER A 14 5.746 -5.132 0.560 1.00 0.00 H +ATOM 216 HA SER A 14 7.104 -6.271 -1.725 1.00 0.00 H +ATOM 217 HB2 SER A 14 5.355 -3.815 -1.634 1.00 0.00 H +ATOM 218 HB3 SER A 14 5.656 -4.884 -3.011 1.00 0.00 H +ATOM 219 HG SER A 14 3.881 -5.799 -2.406 1.00 0.00 H +ATOM 220 N GLY A 15 8.461 -3.653 -0.477 1.00 0.00 N +ATOM 221 CA GLY A 15 9.520 -2.646 -0.549 1.00 0.00 C +ATOM 222 C GLY A 15 9.063 -1.246 -0.987 1.00 0.00 C +ATOM 223 O GLY A 15 9.688 -0.260 -0.601 1.00 0.00 O +ATOM 224 H GLY A 15 8.144 -3.918 0.453 1.00 0.00 H +ATOM 225 HA2 GLY A 15 9.982 -2.562 0.434 1.00 0.00 H +ATOM 226 HA3 GLY A 15 10.282 -2.988 -1.252 1.00 0.00 H +ATOM 227 N ARG A 16 7.983 -1.136 -1.775 1.00 0.00 N +ATOM 228 CA ARG A 16 7.407 0.144 -2.217 1.00 0.00 C +ATOM 229 C ARG A 16 6.873 0.959 -1.017 1.00 0.00 C +ATOM 230 O ARG A 16 6.188 0.381 -0.171 1.00 0.00 O +ATOM 231 CB ARG A 16 6.295 -0.134 -3.247 1.00 0.00 C +ATOM 232 CG ARG A 16 5.773 1.159 -3.895 1.00 0.00 C +ATOM 233 CD ARG A 16 4.638 0.926 -4.896 1.00 0.00 C +ATOM 234 NE ARG A 16 5.119 0.301 -6.142 1.00 0.00 N +ATOM 235 CZ ARG A 16 4.470 0.248 -7.298 1.00 0.00 C +ATOM 236 NH1 ARG A 16 3.270 0.763 -7.440 1.00 0.00 N +ATOM 237 NH2 ARG A 16 5.020 -0.326 -8.342 1.00 0.00 N +ATOM 238 H ARG A 16 7.569 -2.007 -2.081 1.00 0.00 H +ATOM 239 HA ARG A 16 8.207 0.703 -2.701 1.00 0.00 H +ATOM 240 HB2 ARG A 16 6.686 -0.773 -4.015 1.00 0.00 H +ATOM 241 HB3 ARG A 16 5.468 -0.652 -2.755 1.00 0.00 H +ATOM 242 HG2 ARG A 16 5.414 1.807 -3.119 1.00 0.00 H +ATOM 243 HG3 ARG A 16 6.591 1.664 -4.410 1.00 0.00 H +ATOM 244 HD2 ARG A 16 3.906 0.283 -4.446 1.00 0.00 H +ATOM 245 HD3 ARG A 16 4.201 1.899 -5.127 1.00 0.00 H +ATOM 246 HE ARG A 16 6.032 -0.122 -6.114 1.00 0.00 H +ATOM 247 HH11 ARG A 16 2.845 1.192 -6.637 1.00 0.00 H +ATOM 248 HH12 ARG A 16 2.779 0.716 -8.314 1.00 0.00 H +ATOM 249 HH21 ARG A 16 5.933 -0.740 -8.273 1.00 0.00 H +ATOM 250 HH22 ARG A 16 4.520 -0.368 -9.211 1.00 0.00 H +ATOM 251 N PRO A 17 7.105 2.288 -0.945 1.00 0.00 N +ATOM 252 CA PRO A 17 6.592 3.134 0.139 1.00 0.00 C +ATOM 253 C PRO A 17 5.058 3.310 0.093 1.00 0.00 C +ATOM 254 O PRO A 17 4.451 3.102 -0.962 1.00 0.00 O +ATOM 255 CB PRO A 17 7.309 4.480 -0.034 1.00 0.00 C +ATOM 256 CG PRO A 17 7.588 4.545 -1.531 1.00 0.00 C +ATOM 257 CD PRO A 17 7.889 3.089 -1.878 1.00 0.00 C +ATOM 258 HA PRO A 17 6.871 2.694 1.095 1.00 0.00 H +ATOM 259 HB2 PRO A 17 6.679 5.292 0.274 1.00 0.00 H +ATOM 260 HB3 PRO A 17 8.253 4.460 0.511 1.00 0.00 H +ATOM 261 HG2 PRO A 17 6.731 4.902 -2.069 1.00 0.00 H +ATOM 262 HG3 PRO A 17 8.431 5.198 -1.763 1.00 0.00 H +ATOM 263 HD2 PRO A 17 7.597 2.878 -2.889 1.00 0.00 H +ATOM 264 HD3 PRO A 17 8.949 2.883 -1.728 1.00 0.00 H +ATOM 265 N PRO A 18 4.425 3.724 1.211 1.00 0.00 N +ATOM 266 CA PRO A 18 2.983 3.945 1.275 1.00 0.00 C +ATOM 267 C PRO A 18 2.554 5.198 0.492 1.00 0.00 C +ATOM 268 O PRO A 18 3.293 6.183 0.449 1.00 0.00 O +ATOM 269 CB PRO A 18 2.654 4.089 2.764 1.00 0.00 C +ATOM 270 CG PRO A 18 3.948 4.624 3.370 1.00 0.00 C +ATOM 271 CD PRO A 18 5.036 3.983 2.507 1.00 0.00 C +ATOM 272 HA PRO A 18 2.476 3.068 0.878 1.00 0.00 H +ATOM 273 HB2 PRO A 18 1.847 4.781 2.913 1.00 0.00 H +ATOM 274 HB3 PRO A 18 2.438 3.109 3.186 1.00 0.00 H +ATOM 275 HG2 PRO A 18 3.988 5.694 3.306 1.00 0.00 H +ATOM 276 HG3 PRO A 18 4.049 4.343 4.419 1.00 0.00 H +ATOM 277 HD2 PRO A 18 5.868 4.652 2.399 1.00 0.00 H +ATOM 278 HD3 PRO A 18 5.351 3.039 2.955 1.00 0.00 H +ATOM 279 N PRO A 19 1.342 5.203 -0.093 1.00 0.00 N +ATOM 280 CA PRO A 19 0.805 6.357 -0.803 1.00 0.00 C +ATOM 281 C PRO A 19 0.320 7.423 0.190 1.00 0.00 C +ATOM 282 O PRO A 19 -0.257 7.100 1.229 1.00 0.00 O +ATOM 283 CB PRO A 19 -0.339 5.795 -1.648 1.00 0.00 C +ATOM 284 CG PRO A 19 -0.864 4.631 -0.807 1.00 0.00 C +ATOM 285 CD PRO A 19 0.380 4.112 -0.089 1.00 0.00 C +ATOM 286 HA PRO A 19 1.566 6.787 -1.457 1.00 0.00 H +ATOM 287 HB2 PRO A 19 -1.102 6.533 -1.800 1.00 0.00 H +ATOM 288 HB3 PRO A 19 0.063 5.409 -2.586 1.00 0.00 H +ATOM 289 HG2 PRO A 19 -1.599 4.969 -0.102 1.00 0.00 H +ATOM 290 HG3 PRO A 19 -1.304 3.856 -1.430 1.00 0.00 H +ATOM 291 HD2 PRO A 19 0.138 3.834 0.919 1.00 0.00 H +ATOM 292 HD3 PRO A 19 0.800 3.273 -0.642 1.00 0.00 H +ATOM 293 N SER A 20 0.540 8.696 -0.154 1.00 0.00 N +ATOM 294 CA SER A 20 0.107 9.883 0.597 1.00 0.00 C +ATOM 295 C SER A 20 -0.517 10.892 -0.359 1.00 0.00 C +ATOM 296 O SER A 20 0.173 11.221 -1.351 1.00 0.00 O +ATOM 297 CB SER A 20 1.287 10.518 1.338 1.00 0.00 C +ATOM 298 OG SER A 20 1.823 9.586 2.254 1.00 0.00 O +ATOM 299 OXT SER A 20 -1.676 11.275 -0.100 1.00 0.00 O +ATOM 300 H SER A 20 0.976 8.906 -1.042 1.00 0.00 H +ATOM 301 HA SER A 20 -0.660 9.612 1.323 1.00 0.00 H +ATOM 302 HB2 SER A 20 2.043 10.801 0.631 1.00 0.00 H +ATOM 303 HB3 SER A 20 0.947 11.404 1.878 1.00 0.00 H +ATOM 304 HG SER A 20 1.894 8.744 1.792 1.00 0.00 H +TER 305 SER A 20 +ENDMDL +MODEL 12 +ATOM 1 N ASN A 1 -4.775 8.349 0.978 1.00 0.00 N +ATOM 2 CA ASN A 1 -5.666 7.501 0.145 1.00 0.00 C +ATOM 3 C ASN A 1 -4.883 6.315 -0.422 1.00 0.00 C +ATOM 4 O ASN A 1 -3.710 6.189 -0.099 1.00 0.00 O +ATOM 5 CB ASN A 1 -6.368 8.312 -0.963 1.00 0.00 C +ATOM 6 CG ASN A 1 -7.731 7.695 -1.245 1.00 0.00 C +ATOM 7 OD1 ASN A 1 -8.561 7.621 -0.357 1.00 0.00 O +ATOM 8 ND2 ASN A 1 -7.984 7.161 -2.427 1.00 0.00 N +ATOM 9 H1 ASN A 1 -4.291 7.782 1.665 1.00 0.00 H +ATOM 10 H2 ASN A 1 -4.059 8.774 0.407 1.00 0.00 H +ATOM 11 H3 ASN A 1 -5.305 9.067 1.452 1.00 0.00 H +ATOM 12 HA ASN A 1 -6.445 7.096 0.797 1.00 0.00 H +ATOM 13 HB2 ASN A 1 -6.493 9.328 -0.640 1.00 0.00 H +ATOM 14 HB3 ASN A 1 -5.758 8.337 -1.869 1.00 0.00 H +ATOM 15 HD21 ASN A 1 -7.370 7.224 -3.224 1.00 0.00 H +ATOM 16 HD22 ASN A 1 -8.930 6.818 -2.517 1.00 0.00 H +ATOM 17 N LEU A 2 -5.505 5.439 -1.230 1.00 0.00 N +ATOM 18 CA LEU A 2 -4.870 4.301 -1.933 1.00 0.00 C +ATOM 19 C LEU A 2 -4.253 3.217 -1.013 1.00 0.00 C +ATOM 20 O LEU A 2 -3.725 2.212 -1.488 1.00 0.00 O +ATOM 21 CB LEU A 2 -3.879 4.858 -2.987 1.00 0.00 C +ATOM 22 CG LEU A 2 -3.862 4.103 -4.338 1.00 0.00 C +ATOM 23 CD1 LEU A 2 -3.942 5.102 -5.500 1.00 0.00 C +ATOM 24 CD2 LEU A 2 -2.594 3.266 -4.529 1.00 0.00 C +ATOM 25 H LEU A 2 -6.484 5.595 -1.443 1.00 0.00 H +ATOM 26 HA LEU A 2 -5.671 3.797 -2.474 1.00 0.00 H +ATOM 27 HB2 LEU A 2 -4.141 5.880 -3.181 1.00 0.00 H +ATOM 28 HB3 LEU A 2 -2.875 4.881 -2.566 1.00 0.00 H +ATOM 29 HG LEU A 2 -4.728 3.445 -4.407 1.00 0.00 H +ATOM 30 HD11 LEU A 2 -4.863 5.680 -5.430 1.00 0.00 H +ATOM 31 HD12 LEU A 2 -3.088 5.780 -5.472 1.00 0.00 H +ATOM 32 HD13 LEU A 2 -3.942 4.567 -6.450 1.00 0.00 H +ATOM 33 HD21 LEU A 2 -1.714 3.909 -4.532 1.00 0.00 H +ATOM 34 HD22 LEU A 2 -2.501 2.537 -3.726 1.00 0.00 H +ATOM 35 HD23 LEU A 2 -2.650 2.733 -5.479 1.00 0.00 H +ATOM 36 N TYR A 3 -4.358 3.387 0.311 1.00 0.00 N +ATOM 37 CA TYR A 3 -3.724 2.561 1.334 1.00 0.00 C +ATOM 38 C TYR A 3 -4.131 1.084 1.243 1.00 0.00 C +ATOM 39 O TYR A 3 -3.272 0.213 1.349 1.00 0.00 O +ATOM 40 CB TYR A 3 -4.034 3.171 2.713 1.00 0.00 C +ATOM 41 CG TYR A 3 -3.135 2.703 3.842 1.00 0.00 C +ATOM 42 CD1 TYR A 3 -1.737 2.851 3.727 1.00 0.00 C +ATOM 43 CD2 TYR A 3 -3.685 2.171 5.024 1.00 0.00 C +ATOM 44 CE1 TYR A 3 -0.891 2.412 4.759 1.00 0.00 C +ATOM 45 CE2 TYR A 3 -2.842 1.741 6.067 1.00 0.00 C +ATOM 46 CZ TYR A 3 -1.438 1.829 5.920 1.00 0.00 C +ATOM 47 OH TYR A 3 -0.611 1.332 6.879 1.00 0.00 O +ATOM 48 H TYR A 3 -4.748 4.266 0.609 1.00 0.00 H +ATOM 49 HA TYR A 3 -2.648 2.608 1.169 1.00 0.00 H +ATOM 50 HB2 TYR A 3 -3.940 4.237 2.633 1.00 0.00 H +ATOM 51 HB3 TYR A 3 -5.076 2.964 2.965 1.00 0.00 H +ATOM 52 HD1 TYR A 3 -1.301 3.304 2.848 1.00 0.00 H +ATOM 53 HD2 TYR A 3 -4.757 2.089 5.139 1.00 0.00 H +ATOM 54 HE1 TYR A 3 0.181 2.515 4.674 1.00 0.00 H +ATOM 55 HE2 TYR A 3 -3.268 1.331 6.971 1.00 0.00 H +ATOM 56 HH TYR A 3 -1.077 0.804 7.527 1.00 0.00 H +ATOM 57 N ILE A 4 -5.411 0.798 0.958 1.00 0.00 N +ATOM 58 CA ILE A 4 -5.929 -0.561 0.735 1.00 0.00 C +ATOM 59 C ILE A 4 -5.151 -1.265 -0.392 1.00 0.00 C +ATOM 60 O ILE A 4 -4.770 -2.424 -0.234 1.00 0.00 O +ATOM 61 CB ILE A 4 -7.448 -0.558 0.412 1.00 0.00 C +ATOM 62 CG1 ILE A 4 -8.318 0.310 1.355 1.00 0.00 C +ATOM 63 CG2 ILE A 4 -8.010 -2.000 0.433 1.00 0.00 C +ATOM 64 CD1 ILE A 4 -8.502 1.763 0.894 1.00 0.00 C +ATOM 65 H ILE A 4 -6.043 1.576 0.880 1.00 0.00 H +ATOM 66 HA ILE A 4 -5.774 -1.132 1.651 1.00 0.00 H +ATOM 67 HB ILE A 4 -7.573 -0.182 -0.605 1.00 0.00 H +ATOM 68 HG12 ILE A 4 -9.288 -0.144 1.429 1.00 0.00 H +ATOM 69 HG13 ILE A 4 -7.900 0.296 2.364 1.00 0.00 H +ATOM 70 HG21 ILE A 4 -7.241 -2.738 0.216 1.00 0.00 H +ATOM 71 HG22 ILE A 4 -8.427 -2.236 1.414 1.00 0.00 H +ATOM 72 HG23 ILE A 4 -8.799 -2.084 -0.315 1.00 0.00 H +ATOM 73 HD11 ILE A 4 -7.575 2.327 0.979 1.00 0.00 H +ATOM 74 HD12 ILE A 4 -8.846 1.782 -0.141 1.00 0.00 H +ATOM 75 HD13 ILE A 4 -9.256 2.242 1.519 1.00 0.00 H +ATOM 76 N GLN A 5 -4.901 -0.573 -1.513 1.00 0.00 N +ATOM 77 CA GLN A 5 -4.125 -1.106 -2.634 1.00 0.00 C +ATOM 78 C GLN A 5 -2.693 -1.437 -2.204 1.00 0.00 C +ATOM 79 O GLN A 5 -2.251 -2.565 -2.402 1.00 0.00 O +ATOM 80 CB GLN A 5 -4.128 -0.128 -3.830 1.00 0.00 C +ATOM 81 CG GLN A 5 -5.010 -0.590 -5.001 1.00 0.00 C +ATOM 82 CD GLN A 5 -4.334 -0.299 -6.339 1.00 0.00 C +ATOM 83 OE1 GLN A 5 -4.559 0.724 -6.965 1.00 0.00 O +ATOM 84 NE2 GLN A 5 -3.468 -1.181 -6.803 1.00 0.00 N +ATOM 85 H GLN A 5 -5.142 0.409 -1.535 1.00 0.00 H +ATOM 86 HA GLN A 5 -4.578 -2.049 -2.940 1.00 0.00 H +ATOM 87 HB2 GLN A 5 -4.488 0.824 -3.489 1.00 0.00 H +ATOM 88 HB3 GLN A 5 -3.103 -0.020 -4.191 1.00 0.00 H +ATOM 89 HG2 GLN A 5 -5.182 -1.646 -4.916 1.00 0.00 H +ATOM 90 HG3 GLN A 5 -5.966 -0.069 -4.961 1.00 0.00 H +ATOM 91 HE21 GLN A 5 -3.220 -2.017 -6.300 1.00 0.00 H +ATOM 92 HE22 GLN A 5 -3.046 -0.932 -7.681 1.00 0.00 H +ATOM 93 N TRP A 6 -1.990 -0.483 -1.580 1.00 0.00 N +ATOM 94 CA TRP A 6 -0.617 -0.690 -1.102 1.00 0.00 C +ATOM 95 C TRP A 6 -0.505 -1.806 -0.047 1.00 0.00 C +ATOM 96 O TRP A 6 0.434 -2.605 -0.072 1.00 0.00 O +ATOM 97 CB TRP A 6 -0.075 0.634 -0.556 1.00 0.00 C +ATOM 98 CG TRP A 6 1.309 0.540 0.003 1.00 0.00 C +ATOM 99 CD1 TRP A 6 2.446 0.522 -0.728 1.00 0.00 C +ATOM 100 CD2 TRP A 6 1.725 0.405 1.396 1.00 0.00 C +ATOM 101 NE1 TRP A 6 3.531 0.366 0.112 1.00 0.00 N +ATOM 102 CE2 TRP A 6 3.148 0.312 1.431 1.00 0.00 C +ATOM 103 CE3 TRP A 6 1.050 0.354 2.636 1.00 0.00 C +ATOM 104 CZ2 TRP A 6 3.871 0.207 2.626 1.00 0.00 C +ATOM 105 CZ3 TRP A 6 1.766 0.241 3.845 1.00 0.00 C +ATOM 106 CH2 TRP A 6 3.172 0.180 3.843 1.00 0.00 C +ATOM 107 H TRP A 6 -2.436 0.418 -1.445 1.00 0.00 H +ATOM 108 HA TRP A 6 0.001 -0.996 -1.948 1.00 0.00 H +ATOM 109 HB2 TRP A 6 -0.069 1.351 -1.354 1.00 0.00 H +ATOM 110 HB3 TRP A 6 -0.741 0.996 0.231 1.00 0.00 H +ATOM 111 HD1 TRP A 6 2.490 0.606 -1.806 1.00 0.00 H +ATOM 112 HE1 TRP A 6 4.506 0.317 -0.195 1.00 0.00 H +ATOM 113 HE3 TRP A 6 -0.028 0.413 2.652 1.00 0.00 H +ATOM 114 HZ2 TRP A 6 4.948 0.144 2.596 1.00 0.00 H +ATOM 115 HZ3 TRP A 6 1.233 0.211 4.786 1.00 0.00 H +ATOM 116 HH2 TRP A 6 3.712 0.109 4.775 1.00 0.00 H +ATOM 117 N LEU A 7 -1.478 -1.903 0.868 1.00 0.00 N +ATOM 118 CA LEU A 7 -1.565 -3.023 1.803 1.00 0.00 C +ATOM 119 C LEU A 7 -1.788 -4.359 1.077 1.00 0.00 C +ATOM 120 O LEU A 7 -1.184 -5.351 1.478 1.00 0.00 O +ATOM 121 CB LEU A 7 -2.659 -2.772 2.854 1.00 0.00 C +ATOM 122 CG LEU A 7 -2.323 -1.690 3.899 1.00 0.00 C +ATOM 123 CD1 LEU A 7 -3.521 -1.550 4.842 1.00 0.00 C +ATOM 124 CD2 LEU A 7 -1.085 -2.027 4.739 1.00 0.00 C +ATOM 125 H LEU A 7 -2.200 -1.184 0.892 1.00 0.00 H +ATOM 126 HA LEU A 7 -0.606 -3.120 2.310 1.00 0.00 H +ATOM 127 HB2 LEU A 7 -3.552 -2.472 2.340 1.00 0.00 H +ATOM 128 HB3 LEU A 7 -2.840 -3.707 3.385 1.00 0.00 H +ATOM 129 HG LEU A 7 -2.150 -0.733 3.410 1.00 0.00 H +ATOM 130 HD11 LEU A 7 -4.397 -1.228 4.278 1.00 0.00 H +ATOM 131 HD12 LEU A 7 -3.729 -2.502 5.330 1.00 0.00 H +ATOM 132 HD13 LEU A 7 -3.305 -0.807 5.605 1.00 0.00 H +ATOM 133 HD21 LEU A 7 -1.199 -3.007 5.202 1.00 0.00 H +ATOM 134 HD22 LEU A 7 -0.194 -2.019 4.114 1.00 0.00 H +ATOM 135 HD23 LEU A 7 -0.952 -1.273 5.515 1.00 0.00 H +ATOM 136 N LYS A 8 -2.578 -4.390 -0.010 1.00 0.00 N +ATOM 137 CA LYS A 8 -2.803 -5.590 -0.835 1.00 0.00 C +ATOM 138 C LYS A 8 -1.523 -6.177 -1.436 1.00 0.00 C +ATOM 139 O LYS A 8 -1.444 -7.395 -1.565 1.00 0.00 O +ATOM 140 CB LYS A 8 -3.841 -5.306 -1.943 1.00 0.00 C +ATOM 141 CG LYS A 8 -5.102 -6.183 -1.820 1.00 0.00 C +ATOM 142 CD LYS A 8 -6.388 -5.360 -1.964 1.00 0.00 C +ATOM 143 CE LYS A 8 -7.575 -6.172 -1.439 1.00 0.00 C +ATOM 144 NZ LYS A 8 -8.803 -5.348 -1.365 1.00 0.00 N +ATOM 145 H LYS A 8 -3.058 -3.531 -0.269 1.00 0.00 H +ATOM 146 HA LYS A 8 -3.176 -6.367 -0.170 1.00 0.00 H +ATOM 147 HB2 LYS A 8 -4.133 -4.275 -1.883 1.00 0.00 H +ATOM 148 HB3 LYS A 8 -3.394 -5.473 -2.925 1.00 0.00 H +ATOM 149 HG2 LYS A 8 -5.081 -6.931 -2.589 1.00 0.00 H +ATOM 150 HG3 LYS A 8 -5.122 -6.674 -0.847 1.00 0.00 H +ATOM 151 HD2 LYS A 8 -6.297 -4.453 -1.399 1.00 0.00 H +ATOM 152 HD3 LYS A 8 -6.539 -5.092 -3.010 1.00 0.00 H +ATOM 153 HE2 LYS A 8 -7.750 -7.001 -2.098 1.00 0.00 H +ATOM 154 HE3 LYS A 8 -7.320 -6.540 -0.441 1.00 0.00 H +ATOM 155 HZ1 LYS A 8 -8.641 -4.541 -0.776 1.00 0.00 H +ATOM 156 HZ2 LYS A 8 -9.066 -5.030 -2.289 1.00 0.00 H +ATOM 157 HZ3 LYS A 8 -9.564 -5.888 -0.973 1.00 0.00 H +ATOM 158 N ASP A 9 -0.517 -5.351 -1.751 1.00 0.00 N +ATOM 159 CA ASP A 9 0.810 -5.841 -2.151 1.00 0.00 C +ATOM 160 C ASP A 9 1.554 -6.575 -1.011 1.00 0.00 C +ATOM 161 O ASP A 9 2.438 -7.380 -1.298 1.00 0.00 O +ATOM 162 CB ASP A 9 1.696 -4.676 -2.632 1.00 0.00 C +ATOM 163 CG ASP A 9 1.245 -3.986 -3.921 1.00 0.00 C +ATOM 164 OD1 ASP A 9 1.597 -4.502 -5.006 1.00 0.00 O +ATOM 165 OD2 ASP A 9 0.666 -2.883 -3.811 1.00 0.00 O +ATOM 166 H ASP A 9 -0.685 -4.351 -1.702 1.00 0.00 H +ATOM 167 HA ASP A 9 0.696 -6.548 -2.974 1.00 0.00 H +ATOM 168 HB2 ASP A 9 1.720 -3.937 -1.854 1.00 0.00 H +ATOM 169 HB3 ASP A 9 2.698 -5.068 -2.815 1.00 0.00 H +ATOM 170 N GLY A 10 1.225 -6.295 0.263 1.00 0.00 N +ATOM 171 CA GLY A 10 1.982 -6.737 1.446 1.00 0.00 C +ATOM 172 C GLY A 10 2.507 -5.606 2.352 1.00 0.00 C +ATOM 173 O GLY A 10 3.317 -5.867 3.245 1.00 0.00 O +ATOM 174 H GLY A 10 0.375 -5.762 0.424 1.00 0.00 H +ATOM 175 HA2 GLY A 10 1.336 -7.376 2.049 1.00 0.00 H +ATOM 176 HA3 GLY A 10 2.840 -7.334 1.133 1.00 0.00 H +ATOM 177 N GLY A 11 2.078 -4.353 2.136 1.00 0.00 N +ATOM 178 CA GLY A 11 2.489 -3.194 2.933 1.00 0.00 C +ATOM 179 C GLY A 11 4.018 -3.015 3.017 1.00 0.00 C +ATOM 180 O GLY A 11 4.676 -2.975 1.975 1.00 0.00 O +ATOM 181 H GLY A 11 1.434 -4.188 1.373 1.00 0.00 H +ATOM 182 HA2 GLY A 11 2.070 -2.296 2.478 1.00 0.00 H +ATOM 183 HA3 GLY A 11 2.056 -3.301 3.926 1.00 0.00 H +ATOM 184 N PRO A 12 4.624 -2.897 4.222 1.00 0.00 N +ATOM 185 CA PRO A 12 6.074 -2.717 4.372 1.00 0.00 C +ATOM 186 C PRO A 12 6.928 -3.824 3.735 1.00 0.00 C +ATOM 187 O PRO A 12 8.086 -3.582 3.404 1.00 0.00 O +ATOM 188 CB PRO A 12 6.342 -2.659 5.880 1.00 0.00 C +ATOM 189 CG PRO A 12 4.997 -2.271 6.487 1.00 0.00 C +ATOM 190 CD PRO A 12 3.985 -2.895 5.530 1.00 0.00 C +ATOM 191 HA PRO A 12 6.352 -1.763 3.924 1.00 0.00 H +ATOM 192 HB2 PRO A 12 6.663 -3.615 6.246 1.00 0.00 H +ATOM 193 HB3 PRO A 12 7.115 -1.929 6.121 1.00 0.00 H +ATOM 194 HG2 PRO A 12 4.891 -2.675 7.475 1.00 0.00 H +ATOM 195 HG3 PRO A 12 4.893 -1.186 6.477 1.00 0.00 H +ATOM 196 HD2 PRO A 12 3.753 -3.898 5.834 1.00 0.00 H +ATOM 197 HD3 PRO A 12 3.065 -2.308 5.536 1.00 0.00 H +ATOM 198 N SER A 13 6.371 -5.030 3.550 1.00 0.00 N +ATOM 199 CA SER A 13 7.084 -6.170 2.958 1.00 0.00 C +ATOM 200 C SER A 13 7.083 -6.156 1.418 1.00 0.00 C +ATOM 201 O SER A 13 7.625 -7.072 0.804 1.00 0.00 O +ATOM 202 CB SER A 13 6.515 -7.484 3.508 1.00 0.00 C +ATOM 203 OG SER A 13 6.707 -7.539 4.910 1.00 0.00 O +ATOM 204 H SER A 13 5.380 -5.139 3.743 1.00 0.00 H +ATOM 205 HA SER A 13 8.130 -6.125 3.264 1.00 0.00 H +ATOM 206 HB2 SER A 13 5.466 -7.537 3.290 1.00 0.00 H +ATOM 207 HB3 SER A 13 7.033 -8.329 3.054 1.00 0.00 H +ATOM 208 HG SER A 13 6.297 -6.766 5.305 1.00 0.00 H +ATOM 209 N SER A 14 6.505 -5.124 0.784 1.00 0.00 N +ATOM 210 CA SER A 14 6.326 -5.021 -0.674 1.00 0.00 C +ATOM 211 C SER A 14 7.445 -4.276 -1.413 1.00 0.00 C +ATOM 212 O SER A 14 7.363 -4.116 -2.632 1.00 0.00 O +ATOM 213 CB SER A 14 5.029 -4.263 -0.971 1.00 0.00 C +ATOM 214 OG SER A 14 3.953 -4.822 -0.267 1.00 0.00 O +ATOM 215 H SER A 14 6.012 -4.435 1.345 1.00 0.00 H +ATOM 216 HA SER A 14 6.241 -6.022 -1.098 1.00 0.00 H +ATOM 217 HB2 SER A 14 5.146 -3.237 -0.678 1.00 0.00 H +ATOM 218 HB3 SER A 14 4.818 -4.312 -2.040 1.00 0.00 H +ATOM 219 HG SER A 14 3.220 -4.203 -0.295 1.00 0.00 H +ATOM 220 N GLY A 15 8.438 -3.724 -0.707 1.00 0.00 N +ATOM 221 CA GLY A 15 9.507 -2.889 -1.274 1.00 0.00 C +ATOM 222 C GLY A 15 9.063 -1.480 -1.708 1.00 0.00 C +ATOM 223 O GLY A 15 9.798 -0.518 -1.489 1.00 0.00 O +ATOM 224 H GLY A 15 8.430 -3.884 0.291 1.00 0.00 H +ATOM 225 HA2 GLY A 15 10.304 -2.784 -0.538 1.00 0.00 H +ATOM 226 HA3 GLY A 15 9.927 -3.393 -2.147 1.00 0.00 H +ATOM 227 N ARG A 16 7.872 -1.340 -2.309 1.00 0.00 N +ATOM 228 CA ARG A 16 7.271 -0.051 -2.694 1.00 0.00 C +ATOM 229 C ARG A 16 6.858 0.790 -1.462 1.00 0.00 C +ATOM 230 O ARG A 16 6.260 0.241 -0.533 1.00 0.00 O +ATOM 231 CB ARG A 16 6.089 -0.273 -3.662 1.00 0.00 C +ATOM 232 CG ARG A 16 4.953 -1.164 -3.120 1.00 0.00 C +ATOM 233 CD ARG A 16 3.733 -1.249 -4.050 1.00 0.00 C +ATOM 234 NE ARG A 16 4.008 -2.020 -5.278 1.00 0.00 N +ATOM 235 CZ ARG A 16 4.304 -1.553 -6.487 1.00 0.00 C +ATOM 236 NH1 ARG A 16 4.332 -0.266 -6.751 1.00 0.00 N +ATOM 237 NH2 ARG A 16 4.584 -2.382 -7.463 1.00 0.00 N +ATOM 238 H ARG A 16 7.380 -2.207 -2.502 1.00 0.00 H +ATOM 239 HA ARG A 16 8.042 0.496 -3.233 1.00 0.00 H +ATOM 240 HB2 ARG A 16 5.672 0.686 -3.902 1.00 0.00 H +ATOM 241 HB3 ARG A 16 6.479 -0.726 -4.575 1.00 0.00 H +ATOM 242 HG2 ARG A 16 5.339 -2.155 -2.977 1.00 0.00 H +ATOM 243 HG3 ARG A 16 4.607 -0.763 -2.173 1.00 0.00 H +ATOM 244 HD2 ARG A 16 2.929 -1.722 -3.520 1.00 0.00 H +ATOM 245 HD3 ARG A 16 3.380 -0.245 -4.284 1.00 0.00 H +ATOM 246 HE ARG A 16 3.860 -3.017 -5.208 1.00 0.00 H +ATOM 247 HH11 ARG A 16 4.070 0.367 -6.019 1.00 0.00 H +ATOM 248 HH12 ARG A 16 4.528 0.072 -7.675 1.00 0.00 H +ATOM 249 HH21 ARG A 16 4.555 -3.374 -7.290 1.00 0.00 H +ATOM 250 HH22 ARG A 16 4.810 -2.036 -8.376 1.00 0.00 H +ATOM 251 N PRO A 17 7.111 2.116 -1.447 1.00 0.00 N +ATOM 252 CA PRO A 17 6.730 2.992 -0.332 1.00 0.00 C +ATOM 253 C PRO A 17 5.203 3.215 -0.255 1.00 0.00 C +ATOM 254 O PRO A 17 4.512 3.033 -1.262 1.00 0.00 O +ATOM 255 CB PRO A 17 7.472 4.309 -0.592 1.00 0.00 C +ATOM 256 CG PRO A 17 7.586 4.354 -2.114 1.00 0.00 C +ATOM 257 CD PRO A 17 7.780 2.885 -2.487 1.00 0.00 C +ATOM 258 HA PRO A 17 7.081 2.557 0.604 1.00 0.00 H +ATOM 259 HB2 PRO A 17 6.910 5.146 -0.224 1.00 0.00 H +ATOM 260 HB3 PRO A 17 8.471 4.256 -0.155 1.00 0.00 H +ATOM 261 HG2 PRO A 17 6.692 4.750 -2.556 1.00 0.00 H +ATOM 262 HG3 PRO A 17 8.426 4.969 -2.440 1.00 0.00 H +ATOM 263 HD2 PRO A 17 7.339 2.682 -3.444 1.00 0.00 H +ATOM 264 HD3 PRO A 17 8.845 2.645 -2.487 1.00 0.00 H +ATOM 265 N PRO A 18 4.666 3.621 0.914 1.00 0.00 N +ATOM 266 CA PRO A 18 3.235 3.860 1.094 1.00 0.00 C +ATOM 267 C PRO A 18 2.748 5.165 0.425 1.00 0.00 C +ATOM 268 O PRO A 18 3.529 6.100 0.248 1.00 0.00 O +ATOM 269 CB PRO A 18 3.024 3.899 2.612 1.00 0.00 C +ATOM 270 CG PRO A 18 4.361 4.406 3.146 1.00 0.00 C +ATOM 271 CD PRO A 18 5.372 3.796 2.177 1.00 0.00 C +ATOM 272 HA PRO A 18 2.688 3.015 0.682 1.00 0.00 H +ATOM 273 HB2 PRO A 18 2.228 4.570 2.871 1.00 0.00 H +ATOM 274 HB3 PRO A 18 2.846 2.890 2.983 1.00 0.00 H +ATOM 275 HG2 PRO A 18 4.404 5.478 3.124 1.00 0.00 H +ATOM 276 HG3 PRO A 18 4.538 4.078 4.171 1.00 0.00 H +ATOM 277 HD2 PRO A 18 6.209 4.455 2.048 1.00 0.00 H +ATOM 278 HD3 PRO A 18 5.693 2.821 2.549 1.00 0.00 H +ATOM 279 N PRO A 19 1.443 5.263 0.091 1.00 0.00 N +ATOM 280 CA PRO A 19 0.813 6.446 -0.514 1.00 0.00 C +ATOM 281 C PRO A 19 0.366 7.514 0.505 1.00 0.00 C +ATOM 282 O PRO A 19 -0.168 8.563 0.135 1.00 0.00 O +ATOM 283 CB PRO A 19 -0.418 5.883 -1.228 1.00 0.00 C +ATOM 284 CG PRO A 19 -0.852 4.754 -0.291 1.00 0.00 C +ATOM 285 CD PRO A 19 0.481 4.171 0.160 1.00 0.00 C +ATOM 286 HA PRO A 19 1.483 6.910 -1.240 1.00 0.00 H +ATOM 287 HB2 PRO A 19 -1.186 6.626 -1.322 1.00 0.00 H +ATOM 288 HB3 PRO A 19 -0.127 5.468 -2.194 1.00 0.00 H +ATOM 289 HG2 PRO A 19 -1.411 5.134 0.542 1.00 0.00 H +ATOM 290 HG3 PRO A 19 -1.463 4.012 -0.801 1.00 0.00 H +ATOM 291 HD2 PRO A 19 0.406 3.804 1.165 1.00 0.00 H +ATOM 292 HD3 PRO A 19 0.786 3.388 -0.533 1.00 0.00 H +ATOM 293 N SER A 20 0.475 7.235 1.804 1.00 0.00 N +ATOM 294 CA SER A 20 0.117 8.121 2.917 1.00 0.00 C +ATOM 295 C SER A 20 0.951 7.740 4.134 1.00 0.00 C +ATOM 296 O SER A 20 1.145 6.518 4.316 1.00 0.00 O +ATOM 297 CB SER A 20 -1.376 8.004 3.229 1.00 0.00 C +ATOM 298 OG SER A 20 -2.078 8.526 2.113 1.00 0.00 O +ATOM 299 OXT SER A 20 1.384 8.682 4.830 1.00 0.00 O +ATOM 300 H SER A 20 0.881 6.355 2.097 1.00 0.00 H +ATOM 301 HA SER A 20 0.361 9.155 2.677 1.00 0.00 H +ATOM 302 HB2 SER A 20 -1.640 6.975 3.382 1.00 0.00 H +ATOM 303 HB3 SER A 20 -1.610 8.576 4.131 1.00 0.00 H +ATOM 304 HG SER A 20 -1.383 8.683 1.436 1.00 0.00 H +TER 305 SER A 20 +ENDMDL +MODEL 13 +ATOM 1 N ASN A 1 -7.908 6.785 -1.311 1.00 0.00 N +ATOM 2 CA ASN A 1 -7.019 6.327 -0.216 1.00 0.00 C +ATOM 3 C ASN A 1 -5.683 5.747 -0.661 1.00 0.00 C +ATOM 4 O ASN A 1 -4.708 6.050 0.013 1.00 0.00 O +ATOM 5 CB ASN A 1 -7.728 5.352 0.732 1.00 0.00 C +ATOM 6 CG ASN A 1 -8.620 6.137 1.676 1.00 0.00 C +ATOM 7 OD1 ASN A 1 -9.560 6.770 1.223 1.00 0.00 O +ATOM 8 ND2 ASN A 1 -8.313 6.173 2.959 1.00 0.00 N +ATOM 9 H1 ASN A 1 -7.434 7.466 -1.890 1.00 0.00 H +ATOM 10 H2 ASN A 1 -8.205 6.004 -1.879 1.00 0.00 H +ATOM 11 H3 ASN A 1 -8.733 7.210 -0.902 1.00 0.00 H +ATOM 12 HA ASN A 1 -6.754 7.204 0.378 1.00 0.00 H +ATOM 13 HB2 ASN A 1 -8.324 4.666 0.162 1.00 0.00 H +ATOM 14 HB3 ASN A 1 -6.996 4.787 1.311 1.00 0.00 H +ATOM 15 HD21 ASN A 1 -7.513 5.701 3.351 1.00 0.00 H +ATOM 16 HD22 ASN A 1 -8.923 6.730 3.536 1.00 0.00 H +ATOM 17 N LEU A 2 -5.615 4.880 -1.688 1.00 0.00 N +ATOM 18 CA LEU A 2 -4.406 4.163 -2.156 1.00 0.00 C +ATOM 19 C LEU A 2 -3.837 3.130 -1.158 1.00 0.00 C +ATOM 20 O LEU A 2 -3.364 2.071 -1.568 1.00 0.00 O +ATOM 21 CB LEU A 2 -3.322 5.161 -2.622 1.00 0.00 C +ATOM 22 CG LEU A 2 -3.769 6.069 -3.790 1.00 0.00 C +ATOM 23 CD1 LEU A 2 -3.562 7.551 -3.463 1.00 0.00 C +ATOM 24 CD2 LEU A 2 -3.001 5.730 -5.068 1.00 0.00 C +ATOM 25 H LEU A 2 -6.452 4.624 -2.189 1.00 0.00 H +ATOM 26 HA LEU A 2 -4.692 3.585 -3.037 1.00 0.00 H +ATOM 27 HB2 LEU A 2 -3.057 5.785 -1.790 1.00 0.00 H +ATOM 28 HB3 LEU A 2 -2.440 4.595 -2.923 1.00 0.00 H +ATOM 29 HG LEU A 2 -4.830 5.921 -3.991 1.00 0.00 H +ATOM 30 HD11 LEU A 2 -4.099 7.813 -2.552 1.00 0.00 H +ATOM 31 HD12 LEU A 2 -2.502 7.762 -3.318 1.00 0.00 H +ATOM 32 HD13 LEU A 2 -3.938 8.167 -4.281 1.00 0.00 H +ATOM 33 HD21 LEU A 2 -1.934 5.911 -4.924 1.00 0.00 H +ATOM 34 HD22 LEU A 2 -3.157 4.681 -5.323 1.00 0.00 H +ATOM 35 HD23 LEU A 2 -3.359 6.350 -5.889 1.00 0.00 H +ATOM 36 N TYR A 3 -3.941 3.391 0.150 1.00 0.00 N +ATOM 37 CA TYR A 3 -3.446 2.538 1.230 1.00 0.00 C +ATOM 38 C TYR A 3 -4.000 1.103 1.182 1.00 0.00 C +ATOM 39 O TYR A 3 -3.277 0.167 1.508 1.00 0.00 O +ATOM 40 CB TYR A 3 -3.738 3.210 2.583 1.00 0.00 C +ATOM 41 CG TYR A 3 -2.672 2.927 3.623 1.00 0.00 C +ATOM 42 CD1 TYR A 3 -2.765 1.788 4.444 1.00 0.00 C +ATOM 43 CD2 TYR A 3 -1.567 3.795 3.740 1.00 0.00 C +ATOM 44 CE1 TYR A 3 -1.751 1.512 5.382 1.00 0.00 C +ATOM 45 CE2 TYR A 3 -0.550 3.520 4.672 1.00 0.00 C +ATOM 46 CZ TYR A 3 -0.641 2.375 5.495 1.00 0.00 C +ATOM 47 OH TYR A 3 0.344 2.091 6.389 1.00 0.00 O +ATOM 48 H TYR A 3 -4.221 4.340 0.385 1.00 0.00 H +ATOM 49 HA TYR A 3 -2.363 2.475 1.122 1.00 0.00 H +ATOM 50 HB2 TYR A 3 -3.797 4.271 2.433 1.00 0.00 H +ATOM 51 HB3 TYR A 3 -4.711 2.883 2.955 1.00 0.00 H +ATOM 52 HD1 TYR A 3 -3.607 1.120 4.349 1.00 0.00 H +ATOM 53 HD2 TYR A 3 -1.493 4.677 3.117 1.00 0.00 H +ATOM 54 HE1 TYR A 3 -1.801 0.643 6.018 1.00 0.00 H +ATOM 55 HE2 TYR A 3 0.291 4.191 4.755 1.00 0.00 H +ATOM 56 HH TYR A 3 1.086 2.690 6.302 1.00 0.00 H +ATOM 57 N ILE A 4 -5.249 0.909 0.731 1.00 0.00 N +ATOM 58 CA ILE A 4 -5.862 -0.418 0.547 1.00 0.00 C +ATOM 59 C ILE A 4 -5.108 -1.223 -0.524 1.00 0.00 C +ATOM 60 O ILE A 4 -4.705 -2.359 -0.275 1.00 0.00 O +ATOM 61 CB ILE A 4 -7.371 -0.307 0.207 1.00 0.00 C +ATOM 62 CG1 ILE A 4 -8.145 0.575 1.218 1.00 0.00 C +ATOM 63 CG2 ILE A 4 -8.018 -1.702 0.164 1.00 0.00 C +ATOM 64 CD1 ILE A 4 -8.506 1.935 0.617 1.00 0.00 C +ATOM 65 H ILE A 4 -5.779 1.731 0.489 1.00 0.00 H +ATOM 66 HA ILE A 4 -5.769 -0.964 1.487 1.00 0.00 H +ATOM 67 HB ILE A 4 -7.472 0.126 -0.790 1.00 0.00 H +ATOM 68 HG12 ILE A 4 -9.048 0.069 1.502 1.00 0.00 H +ATOM 69 HG13 ILE A 4 -7.554 0.726 2.123 1.00 0.00 H +ATOM 70 HG21 ILE A 4 -7.562 -2.315 -0.613 1.00 0.00 H +ATOM 71 HG22 ILE A 4 -7.904 -2.200 1.127 1.00 0.00 H +ATOM 72 HG23 ILE A 4 -9.081 -1.610 -0.065 1.00 0.00 H +ATOM 73 HD11 ILE A 4 -7.611 2.423 0.233 1.00 0.00 H +ATOM 74 HD12 ILE A 4 -9.219 1.799 -0.198 1.00 0.00 H +ATOM 75 HD13 ILE A 4 -8.963 2.563 1.384 1.00 0.00 H +ATOM 76 N GLN A 5 -4.883 -0.627 -1.705 1.00 0.00 N +ATOM 77 CA GLN A 5 -4.097 -1.237 -2.779 1.00 0.00 C +ATOM 78 C GLN A 5 -2.654 -1.511 -2.339 1.00 0.00 C +ATOM 79 O GLN A 5 -2.134 -2.592 -2.614 1.00 0.00 O +ATOM 80 CB GLN A 5 -4.124 -0.349 -4.035 1.00 0.00 C +ATOM 81 CG GLN A 5 -5.446 -0.464 -4.826 1.00 0.00 C +ATOM 82 CD GLN A 5 -6.302 0.803 -4.886 1.00 0.00 C +ATOM 83 OE1 GLN A 5 -5.896 1.911 -4.564 1.00 0.00 O +ATOM 84 NE2 GLN A 5 -7.545 0.678 -5.313 1.00 0.00 N +ATOM 85 H GLN A 5 -5.163 0.337 -1.814 1.00 0.00 H +ATOM 86 HA GLN A 5 -4.533 -2.207 -3.026 1.00 0.00 H +ATOM 87 HB2 GLN A 5 -3.993 0.673 -3.735 1.00 0.00 H +ATOM 88 HB3 GLN A 5 -3.318 -0.674 -4.696 1.00 0.00 H +ATOM 89 HG2 GLN A 5 -5.203 -0.745 -5.833 1.00 0.00 H +ATOM 90 HG3 GLN A 5 -6.054 -1.268 -4.411 1.00 0.00 H +ATOM 91 HE21 GLN A 5 -7.934 -0.208 -5.587 1.00 0.00 H +ATOM 92 HE22 GLN A 5 -8.048 1.544 -5.402 1.00 0.00 H +ATOM 93 N TRP A 6 -2.027 -0.572 -1.618 1.00 0.00 N +ATOM 94 CA TRP A 6 -0.693 -0.764 -1.047 1.00 0.00 C +ATOM 95 C TRP A 6 -0.644 -1.917 -0.026 1.00 0.00 C +ATOM 96 O TRP A 6 0.231 -2.778 -0.111 1.00 0.00 O +ATOM 97 CB TRP A 6 -0.213 0.557 -0.443 1.00 0.00 C +ATOM 98 CG TRP A 6 1.169 0.505 0.124 1.00 0.00 C +ATOM 99 CD1 TRP A 6 2.314 0.542 -0.597 1.00 0.00 C +ATOM 100 CD2 TRP A 6 1.577 0.373 1.518 1.00 0.00 C +ATOM 101 NE1 TRP A 6 3.396 0.430 0.252 1.00 0.00 N +ATOM 102 CE2 TRP A 6 3.001 0.346 1.569 1.00 0.00 C +ATOM 103 CE3 TRP A 6 0.887 0.268 2.747 1.00 0.00 C +ATOM 104 CZ2 TRP A 6 3.712 0.258 2.772 1.00 0.00 C +ATOM 105 CZ3 TRP A 6 1.592 0.150 3.960 1.00 0.00 C +ATOM 106 CH2 TRP A 6 2.998 0.165 3.978 1.00 0.00 C +ATOM 107 H TRP A 6 -2.505 0.316 -1.478 1.00 0.00 H +ATOM 108 HA TRP A 6 -0.010 -1.033 -1.856 1.00 0.00 H +ATOM 109 HB2 TRP A 6 -0.234 1.306 -1.211 1.00 0.00 H +ATOM 110 HB3 TRP A 6 -0.898 0.860 0.348 1.00 0.00 H +ATOM 111 HD1 TRP A 6 2.368 0.630 -1.674 1.00 0.00 H +ATOM 112 HE1 TRP A 6 4.370 0.409 -0.063 1.00 0.00 H +ATOM 113 HE3 TRP A 6 -0.194 0.280 2.749 1.00 0.00 H +ATOM 114 HZ2 TRP A 6 4.792 0.247 2.758 1.00 0.00 H +ATOM 115 HZ3 TRP A 6 1.046 0.055 4.888 1.00 0.00 H +ATOM 116 HH2 TRP A 6 3.527 0.092 4.916 1.00 0.00 H +ATOM 117 N LEU A 7 -1.605 -2.000 0.907 1.00 0.00 N +ATOM 118 CA LEU A 7 -1.710 -3.134 1.832 1.00 0.00 C +ATOM 119 C LEU A 7 -1.929 -4.466 1.106 1.00 0.00 C +ATOM 120 O LEU A 7 -1.324 -5.461 1.502 1.00 0.00 O +ATOM 121 CB LEU A 7 -2.824 -2.903 2.868 1.00 0.00 C +ATOM 122 CG LEU A 7 -2.460 -1.924 4.000 1.00 0.00 C +ATOM 123 CD1 LEU A 7 -3.711 -1.690 4.853 1.00 0.00 C +ATOM 124 CD2 LEU A 7 -1.353 -2.460 4.918 1.00 0.00 C +ATOM 125 H LEU A 7 -2.291 -1.251 0.973 1.00 0.00 H +ATOM 126 HA LEU A 7 -0.757 -3.234 2.349 1.00 0.00 H +ATOM 127 HB2 LEU A 7 -3.682 -2.515 2.354 1.00 0.00 H +ATOM 128 HB3 LEU A 7 -3.076 -3.862 3.324 1.00 0.00 H +ATOM 129 HG LEU A 7 -2.134 -0.976 3.579 1.00 0.00 H +ATOM 130 HD11 LEU A 7 -4.496 -1.248 4.240 1.00 0.00 H +ATOM 131 HD12 LEU A 7 -4.067 -2.637 5.262 1.00 0.00 H +ATOM 132 HD13 LEU A 7 -3.483 -1.016 5.677 1.00 0.00 H +ATOM 133 HD21 LEU A 7 -1.664 -3.401 5.371 1.00 0.00 H +ATOM 134 HD22 LEU A 7 -0.433 -2.614 4.360 1.00 0.00 H +ATOM 135 HD23 LEU A 7 -1.147 -1.735 5.706 1.00 0.00 H +ATOM 136 N LYS A 8 -2.718 -4.492 0.018 1.00 0.00 N +ATOM 137 CA LYS A 8 -2.894 -5.686 -0.829 1.00 0.00 C +ATOM 138 C LYS A 8 -1.564 -6.220 -1.379 1.00 0.00 C +ATOM 139 O LYS A 8 -1.459 -7.409 -1.665 1.00 0.00 O +ATOM 140 CB LYS A 8 -3.864 -5.370 -1.980 1.00 0.00 C +ATOM 141 CG LYS A 8 -4.388 -6.622 -2.718 1.00 0.00 C +ATOM 142 CD LYS A 8 -4.505 -6.437 -4.242 1.00 0.00 C +ATOM 143 CE LYS A 8 -3.209 -6.745 -5.018 1.00 0.00 C +ATOM 144 NZ LYS A 8 -2.118 -5.779 -4.739 1.00 0.00 N +ATOM 145 H LYS A 8 -3.231 -3.643 -0.211 1.00 0.00 H +ATOM 146 HA LYS A 8 -3.325 -6.477 -0.214 1.00 0.00 H +ATOM 147 HB2 LYS A 8 -4.705 -4.839 -1.577 1.00 0.00 H +ATOM 148 HB3 LYS A 8 -3.360 -4.716 -2.685 1.00 0.00 H +ATOM 149 HG2 LYS A 8 -3.715 -7.435 -2.526 1.00 0.00 H +ATOM 150 HG3 LYS A 8 -5.377 -6.849 -2.317 1.00 0.00 H +ATOM 151 HD2 LYS A 8 -5.276 -7.091 -4.602 1.00 0.00 H +ATOM 152 HD3 LYS A 8 -4.855 -5.430 -4.471 1.00 0.00 H +ATOM 153 HE2 LYS A 8 -2.873 -7.727 -4.745 1.00 0.00 H +ATOM 154 HE3 LYS A 8 -3.446 -6.733 -6.086 1.00 0.00 H +ATOM 155 HZ1 LYS A 8 -2.396 -4.819 -4.880 1.00 0.00 H +ATOM 156 HZ2 LYS A 8 -1.774 -5.854 -3.793 1.00 0.00 H +ATOM 157 HZ3 LYS A 8 -1.282 -5.906 -5.304 1.00 0.00 H +ATOM 158 N ASP A 9 -0.551 -5.368 -1.570 1.00 0.00 N +ATOM 159 CA ASP A 9 0.787 -5.808 -1.980 1.00 0.00 C +ATOM 160 C ASP A 9 1.595 -6.452 -0.830 1.00 0.00 C +ATOM 161 O ASP A 9 2.685 -6.970 -1.090 1.00 0.00 O +ATOM 162 CB ASP A 9 1.594 -4.630 -2.566 1.00 0.00 C +ATOM 163 CG ASP A 9 0.973 -3.926 -3.776 1.00 0.00 C +ATOM 164 OD1 ASP A 9 0.255 -4.603 -4.551 1.00 0.00 O +ATOM 165 OD2 ASP A 9 1.306 -2.727 -3.970 1.00 0.00 O +ATOM 166 H ASP A 9 -0.687 -4.388 -1.343 1.00 0.00 H +ATOM 167 HA ASP A 9 0.689 -6.562 -2.762 1.00 0.00 H +ATOM 168 HB2 ASP A 9 1.719 -3.900 -1.790 1.00 0.00 H +ATOM 169 HB3 ASP A 9 2.559 -5.017 -2.894 1.00 0.00 H +ATOM 170 N GLY A 10 1.155 -6.367 0.440 1.00 0.00 N +ATOM 171 CA GLY A 10 1.920 -6.800 1.627 1.00 0.00 C +ATOM 172 C GLY A 10 2.495 -5.666 2.504 1.00 0.00 C +ATOM 173 O GLY A 10 3.323 -5.931 3.387 1.00 0.00 O +ATOM 174 H GLY A 10 0.231 -5.972 0.604 1.00 0.00 H +ATOM 175 HA2 GLY A 10 1.260 -7.399 2.254 1.00 0.00 H +ATOM 176 HA3 GLY A 10 2.750 -7.439 1.326 1.00 0.00 H +ATOM 177 N GLY A 11 2.078 -4.413 2.271 1.00 0.00 N +ATOM 178 CA GLY A 11 2.452 -3.248 3.072 1.00 0.00 C +ATOM 179 C GLY A 11 3.971 -2.986 3.103 1.00 0.00 C +ATOM 180 O GLY A 11 4.593 -2.901 2.043 1.00 0.00 O +ATOM 181 H GLY A 11 1.509 -4.255 1.448 1.00 0.00 H +ATOM 182 HA2 GLY A 11 1.968 -2.368 2.650 1.00 0.00 H +ATOM 183 HA3 GLY A 11 2.064 -3.396 4.078 1.00 0.00 H +ATOM 184 N PRO A 12 4.608 -2.840 4.289 1.00 0.00 N +ATOM 185 CA PRO A 12 6.049 -2.569 4.388 1.00 0.00 C +ATOM 186 C PRO A 12 6.947 -3.622 3.719 1.00 0.00 C +ATOM 187 O PRO A 12 8.100 -3.334 3.404 1.00 0.00 O +ATOM 188 CB PRO A 12 6.365 -2.497 5.887 1.00 0.00 C +ATOM 189 CG PRO A 12 5.019 -2.212 6.546 1.00 0.00 C +ATOM 190 CD PRO A 12 4.017 -2.897 5.618 1.00 0.00 C +ATOM 191 HA PRO A 12 6.252 -1.600 3.932 1.00 0.00 H +ATOM 192 HB2 PRO A 12 6.768 -3.428 6.235 1.00 0.00 H +ATOM 193 HB3 PRO A 12 7.091 -1.712 6.104 1.00 0.00 H +ATOM 194 HG2 PRO A 12 4.978 -2.632 7.532 1.00 0.00 H +ATOM 195 HG3 PRO A 12 4.836 -1.136 6.553 1.00 0.00 H +ATOM 196 HD2 PRO A 12 3.866 -3.916 5.917 1.00 0.00 H +ATOM 197 HD3 PRO A 12 3.061 -2.377 5.665 1.00 0.00 H +ATOM 198 N SER A 13 6.430 -4.838 3.502 1.00 0.00 N +ATOM 199 CA SER A 13 7.167 -5.968 2.930 1.00 0.00 C +ATOM 200 C SER A 13 7.113 -6.043 1.392 1.00 0.00 C +ATOM 201 O SER A 13 7.652 -6.980 0.805 1.00 0.00 O +ATOM 202 CB SER A 13 6.723 -7.269 3.614 1.00 0.00 C +ATOM 203 OG SER A 13 5.376 -7.634 3.349 1.00 0.00 O +ATOM 204 H SER A 13 5.454 -4.968 3.734 1.00 0.00 H +ATOM 205 HA SER A 13 8.222 -5.839 3.177 1.00 0.00 H +ATOM 206 HB2 SER A 13 7.360 -8.063 3.274 1.00 0.00 H +ATOM 207 HB3 SER A 13 6.865 -7.162 4.691 1.00 0.00 H +ATOM 208 HG SER A 13 4.737 -6.918 3.537 1.00 0.00 H +ATOM 209 N SER A 14 6.508 -5.047 0.733 1.00 0.00 N +ATOM 210 CA SER A 14 6.226 -5.028 -0.713 1.00 0.00 C +ATOM 211 C SER A 14 7.223 -4.235 -1.564 1.00 0.00 C +ATOM 212 O SER A 14 7.035 -4.116 -2.774 1.00 0.00 O +ATOM 213 CB SER A 14 4.854 -4.397 -0.935 1.00 0.00 C +ATOM 214 OG SER A 14 3.928 -5.006 -0.081 1.00 0.00 O +ATOM 215 H SER A 14 6.017 -4.350 1.287 1.00 0.00 H +ATOM 216 HA SER A 14 6.196 -6.052 -1.088 1.00 0.00 H +ATOM 217 HB2 SER A 14 4.903 -3.346 -0.722 1.00 0.00 H +ATOM 218 HB3 SER A 14 4.546 -4.527 -1.971 1.00 0.00 H +ATOM 219 HG SER A 14 3.589 -5.837 -0.501 1.00 0.00 H +ATOM 220 N GLY A 15 8.236 -3.613 -0.954 1.00 0.00 N +ATOM 221 CA GLY A 15 9.241 -2.785 -1.634 1.00 0.00 C +ATOM 222 C GLY A 15 8.755 -1.388 -2.056 1.00 0.00 C +ATOM 223 O GLY A 15 9.534 -0.439 -2.013 1.00 0.00 O +ATOM 224 H GLY A 15 8.306 -3.739 0.046 1.00 0.00 H +ATOM 225 HA2 GLY A 15 10.102 -2.664 -0.978 1.00 0.00 H +ATOM 226 HA3 GLY A 15 9.576 -3.308 -2.531 1.00 0.00 H +ATOM 227 N ARG A 16 7.484 -1.243 -2.458 1.00 0.00 N +ATOM 228 CA ARG A 16 6.866 0.043 -2.822 1.00 0.00 C +ATOM 229 C ARG A 16 6.607 0.907 -1.567 1.00 0.00 C +ATOM 230 O ARG A 16 6.048 0.385 -0.598 1.00 0.00 O +ATOM 231 CB ARG A 16 5.566 -0.231 -3.600 1.00 0.00 C +ATOM 232 CG ARG A 16 5.057 1.011 -4.351 1.00 0.00 C +ATOM 233 CD ARG A 16 3.793 0.732 -5.180 1.00 0.00 C +ATOM 234 NE ARG A 16 4.079 -0.101 -6.363 1.00 0.00 N +ATOM 235 CZ ARG A 16 3.877 -1.406 -6.533 1.00 0.00 C +ATOM 236 NH1 ARG A 16 3.266 -2.191 -5.676 1.00 0.00 N +ATOM 237 NH2 ARG A 16 4.308 -1.979 -7.632 1.00 0.00 N +ATOM 238 H ARG A 16 6.937 -2.095 -2.518 1.00 0.00 H +ATOM 239 HA ARG A 16 7.569 0.558 -3.476 1.00 0.00 H +ATOM 240 HB2 ARG A 16 5.749 -1.013 -4.312 1.00 0.00 H +ATOM 241 HB3 ARG A 16 4.793 -0.580 -2.914 1.00 0.00 H +ATOM 242 HG2 ARG A 16 4.834 1.777 -3.634 1.00 0.00 H +ATOM 243 HG3 ARG A 16 5.843 1.374 -5.018 1.00 0.00 H +ATOM 244 HD2 ARG A 16 3.079 0.222 -4.562 1.00 0.00 H +ATOM 245 HD3 ARG A 16 3.407 1.693 -5.529 1.00 0.00 H +ATOM 246 HE ARG A 16 4.530 0.371 -7.128 1.00 0.00 H +ATOM 247 HH11 ARG A 16 2.673 -1.883 -4.893 1.00 0.00 H +ATOM 248 HH12 ARG A 16 3.162 -3.167 -5.861 1.00 0.00 H +ATOM 249 HH21 ARG A 16 4.765 -1.448 -8.350 1.00 0.00 H +ATOM 250 HH22 ARG A 16 4.157 -2.963 -7.759 1.00 0.00 H +ATOM 251 N PRO A 17 6.947 2.213 -1.560 1.00 0.00 N +ATOM 252 CA PRO A 17 6.730 3.085 -0.400 1.00 0.00 C +ATOM 253 C PRO A 17 5.232 3.312 -0.095 1.00 0.00 C +ATOM 254 O PRO A 17 4.400 3.172 -0.996 1.00 0.00 O +ATOM 255 CB PRO A 17 7.438 4.403 -0.744 1.00 0.00 C +ATOM 256 CG PRO A 17 7.414 4.433 -2.270 1.00 0.00 C +ATOM 257 CD PRO A 17 7.583 2.961 -2.635 1.00 0.00 C +ATOM 258 HA PRO A 17 7.208 2.638 0.471 1.00 0.00 H +ATOM 259 HB2 PRO A 17 6.907 5.241 -0.336 1.00 0.00 H +ATOM 260 HB3 PRO A 17 8.472 4.360 -0.399 1.00 0.00 H +ATOM 261 HG2 PRO A 17 6.481 4.818 -2.635 1.00 0.00 H +ATOM 262 HG3 PRO A 17 8.216 5.048 -2.679 1.00 0.00 H +ATOM 263 HD2 PRO A 17 7.104 2.750 -3.572 1.00 0.00 H +ATOM 264 HD3 PRO A 17 8.643 2.709 -2.673 1.00 0.00 H +ATOM 265 N PRO A 18 4.878 3.687 1.151 1.00 0.00 N +ATOM 266 CA PRO A 18 3.495 3.929 1.554 1.00 0.00 C +ATOM 267 C PRO A 18 2.938 5.209 0.903 1.00 0.00 C +ATOM 268 O PRO A 18 3.617 6.239 0.913 1.00 0.00 O +ATOM 269 CB PRO A 18 3.524 4.048 3.081 1.00 0.00 C +ATOM 270 CG PRO A 18 4.937 4.549 3.376 1.00 0.00 C +ATOM 271 CD PRO A 18 5.775 3.886 2.283 1.00 0.00 C +ATOM 272 HA PRO A 18 2.889 3.069 1.280 1.00 0.00 H +ATOM 273 HB2 PRO A 18 2.789 4.750 3.425 1.00 0.00 H +ATOM 274 HB3 PRO A 18 3.390 3.061 3.527 1.00 0.00 H +ATOM 275 HG2 PRO A 18 4.989 5.618 3.306 1.00 0.00 H +ATOM 276 HG3 PRO A 18 5.272 4.261 4.373 1.00 0.00 H +ATOM 277 HD2 PRO A 18 6.593 4.522 2.003 1.00 0.00 H +ATOM 278 HD3 PRO A 18 6.135 2.918 2.635 1.00 0.00 H +ATOM 279 N PRO A 19 1.706 5.185 0.359 1.00 0.00 N +ATOM 280 CA PRO A 19 1.071 6.373 -0.198 1.00 0.00 C +ATOM 281 C PRO A 19 0.534 7.279 0.922 1.00 0.00 C +ATOM 282 O PRO A 19 0.005 6.793 1.925 1.00 0.00 O +ATOM 283 CB PRO A 19 -0.043 5.831 -1.093 1.00 0.00 C +ATOM 284 CG PRO A 19 -0.475 4.546 -0.383 1.00 0.00 C +ATOM 285 CD PRO A 19 0.817 4.036 0.254 1.00 0.00 C +ATOM 286 HA PRO A 19 1.785 6.932 -0.806 1.00 0.00 H +ATOM 287 HB2 PRO A 19 -0.857 6.527 -1.157 1.00 0.00 H +ATOM 288 HB3 PRO A 19 0.371 5.580 -2.071 1.00 0.00 H +ATOM 289 HG2 PRO A 19 -1.216 4.752 0.365 1.00 0.00 H +ATOM 290 HG3 PRO A 19 -0.885 3.819 -1.084 1.00 0.00 H +ATOM 291 HD2 PRO A 19 0.616 3.632 1.228 1.00 0.00 H +ATOM 292 HD3 PRO A 19 1.276 3.286 -0.389 1.00 0.00 H +ATOM 293 N SER A 20 0.660 8.597 0.722 1.00 0.00 N +ATOM 294 CA SER A 20 0.150 9.654 1.607 1.00 0.00 C +ATOM 295 C SER A 20 -1.110 10.284 1.016 1.00 0.00 C +ATOM 296 O SER A 20 -2.094 10.380 1.786 1.00 0.00 O +ATOM 297 CB SER A 20 1.248 10.701 1.823 1.00 0.00 C +ATOM 298 OG SER A 20 0.910 11.534 2.908 1.00 0.00 O +ATOM 299 OXT SER A 20 -1.067 10.639 -0.179 1.00 0.00 O +ATOM 300 H SER A 20 1.051 8.910 -0.152 1.00 0.00 H +ATOM 301 HA SER A 20 -0.125 9.214 2.563 1.00 0.00 H +ATOM 302 HB2 SER A 20 2.177 10.205 2.031 1.00 0.00 H +ATOM 303 HB3 SER A 20 1.371 11.300 0.918 1.00 0.00 H +ATOM 304 HG SER A 20 0.272 11.069 3.455 1.00 0.00 H +TER 305 SER A 20 +ENDMDL +MODEL 14 +ATOM 1 N ASN A 1 -6.401 7.662 -1.132 1.00 0.00 N +ATOM 2 CA ASN A 1 -7.275 6.470 -1.269 1.00 0.00 C +ATOM 3 C ASN A 1 -6.573 5.259 -1.924 1.00 0.00 C +ATOM 4 O ASN A 1 -7.244 4.408 -2.495 1.00 0.00 O +ATOM 5 CB ASN A 1 -8.588 6.852 -1.993 1.00 0.00 C +ATOM 6 CG ASN A 1 -9.793 6.163 -1.354 1.00 0.00 C +ATOM 7 OD1 ASN A 1 -9.671 5.136 -0.706 1.00 0.00 O +ATOM 8 ND2 ASN A 1 -10.977 6.741 -1.450 1.00 0.00 N +ATOM 9 H1 ASN A 1 -5.636 7.473 -0.499 1.00 0.00 H +ATOM 10 H2 ASN A 1 -6.040 7.938 -2.035 1.00 0.00 H +ATOM 11 H3 ASN A 1 -6.938 8.429 -0.749 1.00 0.00 H +ATOM 12 HA ASN A 1 -7.560 6.149 -0.264 1.00 0.00 H +ATOM 13 HB2 ASN A 1 -8.722 7.915 -1.937 1.00 0.00 H +ATOM 14 HB3 ASN A 1 -8.537 6.586 -3.050 1.00 0.00 H +ATOM 15 HD21 ASN A 1 -11.144 7.601 -1.945 1.00 0.00 H +ATOM 16 HD22 ASN A 1 -11.719 6.237 -0.991 1.00 0.00 H +ATOM 17 N LEU A 2 -5.236 5.147 -1.843 1.00 0.00 N +ATOM 18 CA LEU A 2 -4.460 4.057 -2.472 1.00 0.00 C +ATOM 19 C LEU A 2 -3.853 3.067 -1.460 1.00 0.00 C +ATOM 20 O LEU A 2 -3.274 2.048 -1.840 1.00 0.00 O +ATOM 21 CB LEU A 2 -3.389 4.680 -3.399 1.00 0.00 C +ATOM 22 CG LEU A 2 -3.705 4.592 -4.905 1.00 0.00 C +ATOM 23 CD1 LEU A 2 -3.639 3.147 -5.409 1.00 0.00 C +ATOM 24 CD2 LEU A 2 -5.061 5.208 -5.270 1.00 0.00 C +ATOM 25 H LEU A 2 -4.672 5.849 -1.391 1.00 0.00 H +ATOM 26 HA LEU A 2 -5.127 3.449 -3.079 1.00 0.00 H +ATOM 27 HB2 LEU A 2 -3.286 5.716 -3.140 1.00 0.00 H +ATOM 28 HB3 LEU A 2 -2.429 4.188 -3.232 1.00 0.00 H +ATOM 29 HG LEU A 2 -2.935 5.159 -5.430 1.00 0.00 H +ATOM 30 HD11 LEU A 2 -2.666 2.717 -5.172 1.00 0.00 H +ATOM 31 HD12 LEU A 2 -4.417 2.537 -4.955 1.00 0.00 H +ATOM 32 HD13 LEU A 2 -3.774 3.127 -6.492 1.00 0.00 H +ATOM 33 HD21 LEU A 2 -5.877 4.592 -4.894 1.00 0.00 H +ATOM 34 HD22 LEU A 2 -5.138 6.211 -4.856 1.00 0.00 H +ATOM 35 HD23 LEU A 2 -5.148 5.268 -6.356 1.00 0.00 H +ATOM 36 N TYR A 3 -4.027 3.341 -0.163 1.00 0.00 N +ATOM 37 CA TYR A 3 -3.458 2.567 0.937 1.00 0.00 C +ATOM 38 C TYR A 3 -3.944 1.109 0.964 1.00 0.00 C +ATOM 39 O TYR A 3 -3.174 0.216 1.296 1.00 0.00 O +ATOM 40 CB TYR A 3 -3.759 3.287 2.260 1.00 0.00 C +ATOM 41 CG TYR A 3 -2.564 3.330 3.186 1.00 0.00 C +ATOM 42 CD1 TYR A 3 -2.297 2.234 4.021 1.00 0.00 C +ATOM 43 CD2 TYR A 3 -1.713 4.454 3.196 1.00 0.00 C +ATOM 44 CE1 TYR A 3 -1.182 2.255 4.876 1.00 0.00 C +ATOM 45 CE2 TYR A 3 -0.605 4.489 4.064 1.00 0.00 C +ATOM 46 CZ TYR A 3 -0.339 3.386 4.907 1.00 0.00 C +ATOM 47 OH TYR A 3 0.697 3.407 5.788 1.00 0.00 O +ATOM 48 H TYR A 3 -4.543 4.171 0.073 1.00 0.00 H +ATOM 49 HA TYR A 3 -2.375 2.545 0.801 1.00 0.00 H +ATOM 50 HB2 TYR A 3 -4.061 4.293 2.042 1.00 0.00 H +ATOM 51 HB3 TYR A 3 -4.593 2.797 2.766 1.00 0.00 H +ATOM 52 HD1 TYR A 3 -2.954 1.378 4.007 1.00 0.00 H +ATOM 53 HD2 TYR A 3 -1.904 5.298 2.546 1.00 0.00 H +ATOM 54 HE1 TYR A 3 -0.969 1.423 5.532 1.00 0.00 H +ATOM 55 HE2 TYR A 3 0.032 5.362 4.078 1.00 0.00 H +ATOM 56 HH TYR A 3 0.695 4.212 6.308 1.00 0.00 H +ATOM 57 N ILE A 4 -5.199 0.862 0.556 1.00 0.00 N +ATOM 58 CA ILE A 4 -5.795 -0.478 0.440 1.00 0.00 C +ATOM 59 C ILE A 4 -4.969 -1.337 -0.529 1.00 0.00 C +ATOM 60 O ILE A 4 -4.571 -2.450 -0.193 1.00 0.00 O +ATOM 61 CB ILE A 4 -7.277 -0.384 -0.008 1.00 0.00 C +ATOM 62 CG1 ILE A 4 -8.120 0.501 0.945 1.00 0.00 C +ATOM 63 CG2 ILE A 4 -7.894 -1.795 -0.096 1.00 0.00 C +ATOM 64 CD1 ILE A 4 -9.475 0.918 0.356 1.00 0.00 C +ATOM 65 H ILE A 4 -5.761 1.657 0.298 1.00 0.00 H +ATOM 66 HA ILE A 4 -5.759 -0.960 1.418 1.00 0.00 H +ATOM 67 HB ILE A 4 -7.306 0.064 -1.002 1.00 0.00 H +ATOM 68 HG12 ILE A 4 -8.297 -0.048 1.850 1.00 0.00 H +ATOM 69 HG13 ILE A 4 -7.586 1.423 1.167 1.00 0.00 H +ATOM 70 HG21 ILE A 4 -7.385 -2.392 -0.852 1.00 0.00 H +ATOM 71 HG22 ILE A 4 -7.817 -2.302 0.867 1.00 0.00 H +ATOM 72 HG23 ILE A 4 -8.945 -1.739 -0.379 1.00 0.00 H +ATOM 73 HD11 ILE A 4 -9.330 1.364 -0.631 1.00 0.00 H +ATOM 74 HD12 ILE A 4 -10.141 0.060 0.274 1.00 0.00 H +ATOM 75 HD13 ILE A 4 -9.939 1.657 1.008 1.00 0.00 H +ATOM 76 N GLN A 5 -4.685 -0.803 -1.722 1.00 0.00 N +ATOM 77 CA GLN A 5 -3.904 -1.463 -2.769 1.00 0.00 C +ATOM 78 C GLN A 5 -2.453 -1.702 -2.326 1.00 0.00 C +ATOM 79 O GLN A 5 -1.920 -2.790 -2.539 1.00 0.00 O +ATOM 80 CB GLN A 5 -3.995 -0.617 -4.058 1.00 0.00 C +ATOM 81 CG GLN A 5 -4.421 -1.431 -5.294 1.00 0.00 C +ATOM 82 CD GLN A 5 -5.350 -0.621 -6.194 1.00 0.00 C +ATOM 83 OE1 GLN A 5 -4.942 0.305 -6.876 1.00 0.00 O +ATOM 84 NE2 GLN A 5 -6.636 -0.921 -6.208 1.00 0.00 N +ATOM 85 H GLN A 5 -4.991 0.144 -1.894 1.00 0.00 H +ATOM 86 HA GLN A 5 -4.348 -2.442 -2.942 1.00 0.00 H +ATOM 87 HB2 GLN A 5 -4.713 0.165 -3.902 1.00 0.00 H +ATOM 88 HB3 GLN A 5 -3.039 -0.132 -4.264 1.00 0.00 H +ATOM 89 HG2 GLN A 5 -3.546 -1.706 -5.851 1.00 0.00 H +ATOM 90 HG3 GLN A 5 -4.941 -2.342 -4.994 1.00 0.00 H +ATOM 91 HE21 GLN A 5 -7.025 -1.675 -5.669 1.00 0.00 H +ATOM 92 HE22 GLN A 5 -7.188 -0.340 -6.815 1.00 0.00 H +ATOM 93 N TRP A 6 -1.834 -0.719 -1.658 1.00 0.00 N +ATOM 94 CA TRP A 6 -0.498 -0.859 -1.070 1.00 0.00 C +ATOM 95 C TRP A 6 -0.433 -1.932 0.032 1.00 0.00 C +ATOM 96 O TRP A 6 0.497 -2.744 0.055 1.00 0.00 O +ATOM 97 CB TRP A 6 -0.042 0.505 -0.544 1.00 0.00 C +ATOM 98 CG TRP A 6 1.340 0.516 0.026 1.00 0.00 C +ATOM 99 CD1 TRP A 6 2.480 0.543 -0.699 1.00 0.00 C +ATOM 100 CD2 TRP A 6 1.754 0.502 1.428 1.00 0.00 C +ATOM 101 NE1 TRP A 6 3.565 0.518 0.155 1.00 0.00 N +ATOM 102 CE2 TRP A 6 3.179 0.507 1.471 1.00 0.00 C +ATOM 103 CE3 TRP A 6 1.081 0.494 2.669 1.00 0.00 C +ATOM 104 CZ2 TRP A 6 3.905 0.515 2.669 1.00 0.00 C +ATOM 105 CZ3 TRP A 6 1.798 0.487 3.882 1.00 0.00 C +ATOM 106 CH2 TRP A 6 3.205 0.501 3.885 1.00 0.00 C +ATOM 107 H TRP A 6 -2.329 0.162 -1.554 1.00 0.00 H +ATOM 108 HA TRP A 6 0.193 -1.170 -1.855 1.00 0.00 H +ATOM 109 HB2 TRP A 6 -0.076 1.206 -1.355 1.00 0.00 H +ATOM 110 HB3 TRP A 6 -0.737 0.847 0.222 1.00 0.00 H +ATOM 111 HD1 TRP A 6 2.524 0.581 -1.779 1.00 0.00 H +ATOM 112 HE1 TRP A 6 4.549 0.548 -0.121 1.00 0.00 H +ATOM 113 HE3 TRP A 6 0.001 0.500 2.681 1.00 0.00 H +ATOM 114 HZ2 TRP A 6 4.985 0.520 2.640 1.00 0.00 H +ATOM 115 HZ3 TRP A 6 1.267 0.489 4.823 1.00 0.00 H +ATOM 116 HH2 TRP A 6 3.747 0.509 4.821 1.00 0.00 H +ATOM 117 N LEU A 7 -1.429 -1.970 0.928 1.00 0.00 N +ATOM 118 CA LEU A 7 -1.563 -3.019 1.940 1.00 0.00 C +ATOM 119 C LEU A 7 -1.832 -4.398 1.325 1.00 0.00 C +ATOM 120 O LEU A 7 -1.302 -5.380 1.840 1.00 0.00 O +ATOM 121 CB LEU A 7 -2.671 -2.661 2.946 1.00 0.00 C +ATOM 122 CG LEU A 7 -2.287 -1.567 3.960 1.00 0.00 C +ATOM 123 CD1 LEU A 7 -3.511 -1.233 4.821 1.00 0.00 C +ATOM 124 CD2 LEU A 7 -1.148 -1.999 4.892 1.00 0.00 C +ATOM 125 H LEU A 7 -2.136 -1.238 0.898 1.00 0.00 H +ATOM 126 HA LEU A 7 -0.618 -3.107 2.473 1.00 0.00 H +ATOM 127 HB2 LEU A 7 -3.527 -2.321 2.395 1.00 0.00 H +ATOM 128 HB3 LEU A 7 -2.940 -3.558 3.506 1.00 0.00 H +ATOM 129 HG LEU A 7 -1.976 -0.668 3.433 1.00 0.00 H +ATOM 130 HD11 LEU A 7 -4.316 -0.864 4.185 1.00 0.00 H +ATOM 131 HD12 LEU A 7 -3.850 -2.123 5.351 1.00 0.00 H +ATOM 132 HD13 LEU A 7 -3.257 -0.464 5.550 1.00 0.00 H +ATOM 133 HD21 LEU A 7 -1.377 -2.965 5.340 1.00 0.00 H +ATOM 134 HD22 LEU A 7 -0.217 -2.069 4.334 1.00 0.00 H +ATOM 135 HD23 LEU A 7 -1.013 -1.260 5.680 1.00 0.00 H +ATOM 136 N LYS A 8 -2.599 -4.488 0.226 1.00 0.00 N +ATOM 137 CA LYS A 8 -2.976 -5.755 -0.427 1.00 0.00 C +ATOM 138 C LYS A 8 -1.777 -6.638 -0.783 1.00 0.00 C +ATOM 139 O LYS A 8 -1.856 -7.858 -0.664 1.00 0.00 O +ATOM 140 CB LYS A 8 -3.803 -5.465 -1.696 1.00 0.00 C +ATOM 141 CG LYS A 8 -4.622 -6.677 -2.165 1.00 0.00 C +ATOM 142 CD LYS A 8 -5.863 -6.886 -1.280 1.00 0.00 C +ATOM 143 CE LYS A 8 -6.602 -8.185 -1.607 1.00 0.00 C +ATOM 144 NZ LYS A 8 -5.801 -9.379 -1.240 1.00 0.00 N +ATOM 145 H LYS A 8 -3.048 -3.631 -0.094 1.00 0.00 H +ATOM 146 HA LYS A 8 -3.571 -6.320 0.286 1.00 0.00 H +ATOM 147 HB2 LYS A 8 -4.477 -4.656 -1.488 1.00 0.00 H +ATOM 148 HB3 LYS A 8 -3.125 -5.174 -2.502 1.00 0.00 H +ATOM 149 HG2 LYS A 8 -4.937 -6.516 -3.178 1.00 0.00 H +ATOM 150 HG3 LYS A 8 -3.995 -7.568 -2.162 1.00 0.00 H +ATOM 151 HD2 LYS A 8 -5.553 -6.915 -0.253 1.00 0.00 H +ATOM 152 HD3 LYS A 8 -6.542 -6.046 -1.435 1.00 0.00 H +ATOM 153 HE2 LYS A 8 -7.527 -8.206 -1.063 1.00 0.00 H +ATOM 154 HE3 LYS A 8 -6.842 -8.200 -2.674 1.00 0.00 H +ATOM 155 HZ1 LYS A 8 -4.958 -9.420 -1.800 1.00 0.00 H +ATOM 156 HZ2 LYS A 8 -5.526 -9.332 -0.267 1.00 0.00 H +ATOM 157 HZ3 LYS A 8 -6.335 -10.225 -1.388 1.00 0.00 H +ATOM 158 N ASP A 9 -0.693 -6.000 -1.216 1.00 0.00 N +ATOM 159 CA ASP A 9 0.577 -6.608 -1.609 1.00 0.00 C +ATOM 160 C ASP A 9 1.501 -6.893 -0.404 1.00 0.00 C +ATOM 161 O ASP A 9 2.502 -7.590 -0.554 1.00 0.00 O +ATOM 162 CB ASP A 9 1.191 -5.620 -2.609 1.00 0.00 C +ATOM 163 CG ASP A 9 2.246 -6.195 -3.544 1.00 0.00 C +ATOM 164 OD1 ASP A 9 1.842 -6.848 -4.529 1.00 0.00 O +ATOM 165 OD2 ASP A 9 3.401 -5.726 -3.445 1.00 0.00 O +ATOM 166 H ASP A 9 -0.773 -4.997 -1.309 1.00 0.00 H +ATOM 167 HA ASP A 9 0.386 -7.552 -2.122 1.00 0.00 H +ATOM 168 HB2 ASP A 9 0.396 -5.225 -3.212 1.00 0.00 H +ATOM 169 HB3 ASP A 9 1.601 -4.770 -2.070 1.00 0.00 H +ATOM 170 N GLY A 10 1.138 -6.413 0.799 1.00 0.00 N +ATOM 171 CA GLY A 10 1.851 -6.634 2.059 1.00 0.00 C +ATOM 172 C GLY A 10 2.515 -5.385 2.659 1.00 0.00 C +ATOM 173 O GLY A 10 3.469 -5.523 3.433 1.00 0.00 O +ATOM 174 H GLY A 10 0.235 -5.953 0.859 1.00 0.00 H +ATOM 175 HA2 GLY A 10 1.135 -7.004 2.792 1.00 0.00 H +ATOM 176 HA3 GLY A 10 2.606 -7.406 1.922 1.00 0.00 H +ATOM 177 N GLY A 11 2.037 -4.182 2.311 1.00 0.00 N +ATOM 178 CA GLY A 11 2.491 -2.882 2.819 1.00 0.00 C +ATOM 179 C GLY A 11 4.020 -2.705 2.788 1.00 0.00 C +ATOM 180 O GLY A 11 4.574 -2.593 1.694 1.00 0.00 O +ATOM 181 H GLY A 11 1.318 -4.166 1.598 1.00 0.00 H +ATOM 182 HA2 GLY A 11 2.060 -2.105 2.191 1.00 0.00 H +ATOM 183 HA3 GLY A 11 2.102 -2.739 3.824 1.00 0.00 H +ATOM 184 N PRO A 12 4.730 -2.700 3.937 1.00 0.00 N +ATOM 185 CA PRO A 12 6.196 -2.624 3.971 1.00 0.00 C +ATOM 186 C PRO A 12 6.905 -3.715 3.153 1.00 0.00 C +ATOM 187 O PRO A 12 8.004 -3.490 2.653 1.00 0.00 O +ATOM 188 CB PRO A 12 6.587 -2.742 5.450 1.00 0.00 C +ATOM 189 CG PRO A 12 5.333 -2.306 6.202 1.00 0.00 C +ATOM 190 CD PRO A 12 4.199 -2.770 5.292 1.00 0.00 C +ATOM 191 HA PRO A 12 6.504 -1.647 3.594 1.00 0.00 H +ATOM 192 HB2 PRO A 12 6.846 -3.754 5.696 1.00 0.00 H +ATOM 193 HB3 PRO A 12 7.442 -2.107 5.689 1.00 0.00 H +ATOM 194 HG2 PRO A 12 5.275 -2.782 7.162 1.00 0.00 H +ATOM 195 HG3 PRO A 12 5.315 -1.219 6.283 1.00 0.00 H +ATOM 196 HD2 PRO A 12 3.915 -3.777 5.531 1.00 0.00 H +ATOM 197 HD3 PRO A 12 3.335 -2.119 5.426 1.00 0.00 H +ATOM 198 N SER A 13 6.277 -4.888 3.002 1.00 0.00 N +ATOM 199 CA SER A 13 6.825 -6.021 2.248 1.00 0.00 C +ATOM 200 C SER A 13 6.595 -5.934 0.728 1.00 0.00 C +ATOM 201 O SER A 13 7.075 -6.791 -0.007 1.00 0.00 O +ATOM 202 CB SER A 13 6.342 -7.350 2.853 1.00 0.00 C +ATOM 203 OG SER A 13 4.946 -7.537 2.785 1.00 0.00 O +ATOM 204 H SER A 13 5.343 -4.969 3.391 1.00 0.00 H +ATOM 205 HA SER A 13 7.908 -6.013 2.377 1.00 0.00 H +ATOM 206 HB2 SER A 13 6.816 -8.154 2.324 1.00 0.00 H +ATOM 207 HB3 SER A 13 6.647 -7.388 3.900 1.00 0.00 H +ATOM 208 HG SER A 13 4.461 -6.757 3.136 1.00 0.00 H +ATOM 209 N SER A 14 5.937 -4.870 0.241 1.00 0.00 N +ATOM 210 CA SER A 14 5.582 -4.659 -1.171 1.00 0.00 C +ATOM 211 C SER A 14 6.709 -4.075 -2.046 1.00 0.00 C +ATOM 212 O SER A 14 6.506 -3.867 -3.240 1.00 0.00 O +ATOM 213 CB SER A 14 4.394 -3.697 -1.249 1.00 0.00 C +ATOM 214 OG SER A 14 3.342 -4.095 -0.399 1.00 0.00 O +ATOM 215 H SER A 14 5.543 -4.204 0.899 1.00 0.00 H +ATOM 216 HA SER A 14 5.276 -5.613 -1.607 1.00 0.00 H +ATOM 217 HB2 SER A 14 4.721 -2.717 -0.961 1.00 0.00 H +ATOM 218 HB3 SER A 14 4.025 -3.661 -2.271 1.00 0.00 H +ATOM 219 HG SER A 14 2.975 -3.313 0.029 1.00 0.00 H +ATOM 220 N GLY A 15 7.873 -3.737 -1.470 1.00 0.00 N +ATOM 221 CA GLY A 15 8.999 -3.132 -2.201 1.00 0.00 C +ATOM 222 C GLY A 15 8.848 -1.633 -2.516 1.00 0.00 C +ATOM 223 O GLY A 15 9.535 -1.130 -3.401 1.00 0.00 O +ATOM 224 H GLY A 15 7.986 -3.973 -0.495 1.00 0.00 H +ATOM 225 HA2 GLY A 15 9.912 -3.262 -1.623 1.00 0.00 H +ATOM 226 HA3 GLY A 15 9.130 -3.657 -3.149 1.00 0.00 H +ATOM 227 N ARG A 16 7.939 -0.924 -1.830 1.00 0.00 N +ATOM 228 CA ARG A 16 7.559 0.475 -2.105 1.00 0.00 C +ATOM 229 C ARG A 16 7.032 1.175 -0.838 1.00 0.00 C +ATOM 230 O ARG A 16 6.351 0.518 -0.047 1.00 0.00 O +ATOM 231 CB ARG A 16 6.517 0.515 -3.247 1.00 0.00 C +ATOM 232 CG ARG A 16 5.357 -0.489 -3.097 1.00 0.00 C +ATOM 233 CD ARG A 16 4.496 -0.583 -4.360 1.00 0.00 C +ATOM 234 NE ARG A 16 3.700 -1.826 -4.349 1.00 0.00 N +ATOM 235 CZ ARG A 16 3.398 -2.606 -5.380 1.00 0.00 C +ATOM 236 NH1 ARG A 16 3.636 -2.252 -6.620 1.00 0.00 N +ATOM 237 NH2 ARG A 16 2.850 -3.774 -5.180 1.00 0.00 N +ATOM 238 H ARG A 16 7.441 -1.405 -1.093 1.00 0.00 H +ATOM 239 HA ARG A 16 8.452 1.000 -2.443 1.00 0.00 H +ATOM 240 HB2 ARG A 16 6.101 1.503 -3.285 1.00 0.00 H +ATOM 241 HB3 ARG A 16 7.040 0.296 -4.178 1.00 0.00 H +ATOM 242 HG2 ARG A 16 5.766 -1.458 -2.886 1.00 0.00 H +ATOM 243 HG3 ARG A 16 4.736 -0.217 -2.247 1.00 0.00 H +ATOM 244 HD2 ARG A 16 3.834 0.260 -4.400 1.00 0.00 H +ATOM 245 HD3 ARG A 16 5.162 -0.588 -5.225 1.00 0.00 H +ATOM 246 HE ARG A 16 3.410 -2.188 -3.456 1.00 0.00 H +ATOM 247 HH11 ARG A 16 4.099 -1.379 -6.787 1.00 0.00 H +ATOM 248 HH12 ARG A 16 3.425 -2.883 -7.370 1.00 0.00 H +ATOM 249 HH21 ARG A 16 3.013 -4.274 -4.292 1.00 0.00 H +ATOM 250 HH22 ARG A 16 2.589 -4.386 -5.930 1.00 0.00 H +ATOM 251 N PRO A 17 7.296 2.484 -0.642 1.00 0.00 N +ATOM 252 CA PRO A 17 6.862 3.230 0.546 1.00 0.00 C +ATOM 253 C PRO A 17 5.336 3.464 0.578 1.00 0.00 C +ATOM 254 O PRO A 17 4.676 3.310 -0.454 1.00 0.00 O +ATOM 255 CB PRO A 17 7.636 4.555 0.478 1.00 0.00 C +ATOM 256 CG PRO A 17 7.830 4.776 -1.020 1.00 0.00 C +ATOM 257 CD PRO A 17 8.034 3.357 -1.545 1.00 0.00 C +ATOM 258 HA PRO A 17 7.157 2.685 1.444 1.00 0.00 H +ATOM 259 HB2 PRO A 17 7.068 5.354 0.914 1.00 0.00 H +ATOM 260 HB3 PRO A 17 8.609 4.434 0.956 1.00 0.00 H +ATOM 261 HG2 PRO A 17 6.963 5.230 -1.460 1.00 0.00 H +ATOM 262 HG3 PRO A 17 8.689 5.414 -1.228 1.00 0.00 H +ATOM 263 HD2 PRO A 17 7.651 3.270 -2.543 1.00 0.00 H +ATOM 264 HD3 PRO A 17 9.094 3.104 -1.509 1.00 0.00 H +ATOM 265 N PRO A 18 4.762 3.851 1.737 1.00 0.00 N +ATOM 266 CA PRO A 18 3.324 4.085 1.879 1.00 0.00 C +ATOM 267 C PRO A 18 2.832 5.288 1.045 1.00 0.00 C +ATOM 268 O PRO A 18 3.507 6.319 1.003 1.00 0.00 O +ATOM 269 CB PRO A 18 3.085 4.299 3.378 1.00 0.00 C +ATOM 270 CG PRO A 18 4.437 4.766 3.908 1.00 0.00 C +ATOM 271 CD PRO A 18 5.429 4.018 3.023 1.00 0.00 C +ATOM 272 HA PRO A 18 2.803 3.182 1.576 1.00 0.00 H +ATOM 273 HB2 PRO A 18 2.333 5.047 3.541 1.00 0.00 H +ATOM 274 HB3 PRO A 18 2.823 3.348 3.843 1.00 0.00 H +ATOM 275 HG2 PRO A 18 4.548 5.828 3.800 1.00 0.00 H +ATOM 276 HG3 PRO A 18 4.568 4.519 4.962 1.00 0.00 H +ATOM 277 HD2 PRO A 18 6.330 4.589 2.906 1.00 0.00 H +ATOM 278 HD3 PRO A 18 5.634 3.036 3.452 1.00 0.00 H +ATOM 279 N PRO A 19 1.660 5.185 0.385 1.00 0.00 N +ATOM 280 CA PRO A 19 1.102 6.250 -0.443 1.00 0.00 C +ATOM 281 C PRO A 19 0.321 7.283 0.390 1.00 0.00 C +ATOM 282 O PRO A 19 -0.811 7.023 0.804 1.00 0.00 O +ATOM 283 CB PRO A 19 0.206 5.530 -1.455 1.00 0.00 C +ATOM 284 CG PRO A 19 -0.321 4.332 -0.664 1.00 0.00 C +ATOM 285 CD PRO A 19 0.850 3.979 0.253 1.00 0.00 C +ATOM 286 HA PRO A 19 1.900 6.759 -0.984 1.00 0.00 H +ATOM 287 HB2 PRO A 19 -0.598 6.163 -1.776 1.00 0.00 H +ATOM 288 HB3 PRO A 19 0.818 5.174 -2.286 1.00 0.00 H +ATOM 289 HG2 PRO A 19 -1.190 4.599 -0.094 1.00 0.00 H +ATOM 290 HG3 PRO A 19 -0.584 3.506 -1.323 1.00 0.00 H +ATOM 291 HD2 PRO A 19 0.487 3.671 1.214 1.00 0.00 H +ATOM 292 HD3 PRO A 19 1.451 3.202 -0.216 1.00 0.00 H +ATOM 293 N SER A 20 0.922 8.471 0.555 1.00 0.00 N +ATOM 294 CA SER A 20 0.386 9.673 1.224 1.00 0.00 C +ATOM 295 C SER A 20 0.416 9.627 2.763 1.00 0.00 C +ATOM 296 O SER A 20 1.001 8.684 3.339 1.00 0.00 O +ATOM 297 CB SER A 20 -1.018 10.026 0.706 1.00 0.00 C +ATOM 298 OG SER A 20 -1.373 11.233 1.334 1.00 0.00 O +ATOM 299 OXT SER A 20 -0.165 10.594 3.315 1.00 0.00 O +ATOM 300 H SER A 20 1.888 8.511 0.265 1.00 0.00 H +ATOM 301 HA SER A 20 1.034 10.508 0.958 1.00 0.00 H +ATOM 302 HB2 SER A 20 -1.001 10.151 -0.360 1.00 0.00 H +ATOM 303 HB3 SER A 20 -1.730 9.255 1.002 1.00 0.00 H +ATOM 304 HG SER A 20 -0.935 11.116 2.254 1.00 0.00 H +TER 305 SER A 20 +ENDMDL +MODEL 15 +ATOM 1 N ASN A 1 -5.555 8.004 -1.532 1.00 0.00 N +ATOM 2 CA ASN A 1 -6.571 6.932 -1.361 1.00 0.00 C +ATOM 3 C ASN A 1 -6.105 5.544 -1.850 1.00 0.00 C +ATOM 4 O ASN A 1 -6.936 4.715 -2.200 1.00 0.00 O +ATOM 5 CB ASN A 1 -7.897 7.340 -2.038 1.00 0.00 C +ATOM 6 CG ASN A 1 -9.071 6.615 -1.385 1.00 0.00 C +ATOM 7 OD1 ASN A 1 -9.297 6.771 -0.197 1.00 0.00 O +ATOM 8 ND2 ASN A 1 -9.821 5.802 -2.107 1.00 0.00 N +ATOM 9 H1 ASN A 1 -4.747 7.831 -0.949 1.00 0.00 H +ATOM 10 H2 ASN A 1 -5.271 8.069 -2.500 1.00 0.00 H +ATOM 11 H3 ASN A 1 -5.951 8.893 -1.252 1.00 0.00 H +ATOM 12 HA ASN A 1 -6.784 6.837 -0.294 1.00 0.00 H +ATOM 13 HB2 ASN A 1 -8.035 8.399 -1.937 1.00 0.00 H +ATOM 14 HB3 ASN A 1 -7.861 7.128 -3.108 1.00 0.00 H +ATOM 15 HD21 ASN A 1 -9.603 5.565 -3.060 1.00 0.00 H +ATOM 16 HD22 ASN A 1 -10.562 5.348 -1.598 1.00 0.00 H +ATOM 17 N LEU A 2 -4.794 5.254 -1.881 1.00 0.00 N +ATOM 18 CA LEU A 2 -4.259 3.990 -2.422 1.00 0.00 C +ATOM 19 C LEU A 2 -3.783 3.017 -1.328 1.00 0.00 C +ATOM 20 O LEU A 2 -3.304 1.928 -1.638 1.00 0.00 O +ATOM 21 CB LEU A 2 -3.148 4.316 -3.442 1.00 0.00 C +ATOM 22 CG LEU A 2 -3.647 5.049 -4.702 1.00 0.00 C +ATOM 23 CD1 LEU A 2 -2.468 5.586 -5.520 1.00 0.00 C +ATOM 24 CD2 LEU A 2 -4.488 4.133 -5.599 1.00 0.00 C +ATOM 25 H LEU A 2 -4.097 5.917 -1.583 1.00 0.00 H +ATOM 26 HA LEU A 2 -5.044 3.453 -2.954 1.00 0.00 H +ATOM 27 HB2 LEU A 2 -2.418 4.936 -2.958 1.00 0.00 H +ATOM 28 HB3 LEU A 2 -2.649 3.395 -3.748 1.00 0.00 H +ATOM 29 HG LEU A 2 -4.253 5.904 -4.403 1.00 0.00 H +ATOM 30 HD11 LEU A 2 -1.705 6.004 -4.864 1.00 0.00 H +ATOM 31 HD12 LEU A 2 -2.024 4.789 -6.119 1.00 0.00 H +ATOM 32 HD13 LEU A 2 -2.821 6.376 -6.183 1.00 0.00 H +ATOM 33 HD21 LEU A 2 -3.921 3.235 -5.845 1.00 0.00 H +ATOM 34 HD22 LEU A 2 -5.413 3.854 -5.094 1.00 0.00 H +ATOM 35 HD23 LEU A 2 -4.743 4.655 -6.521 1.00 0.00 H +ATOM 36 N TYR A 3 -3.936 3.389 -0.051 1.00 0.00 N +ATOM 37 CA TYR A 3 -3.430 2.642 1.105 1.00 0.00 C +ATOM 38 C TYR A 3 -3.954 1.198 1.152 1.00 0.00 C +ATOM 39 O TYR A 3 -3.201 0.279 1.464 1.00 0.00 O +ATOM 40 CB TYR A 3 -3.762 3.414 2.395 1.00 0.00 C +ATOM 41 CG TYR A 3 -2.656 3.341 3.430 1.00 0.00 C +ATOM 42 CD1 TYR A 3 -2.409 2.135 4.112 1.00 0.00 C +ATOM 43 CD2 TYR A 3 -1.845 4.468 3.678 1.00 0.00 C +ATOM 44 CE1 TYR A 3 -1.337 2.043 5.019 1.00 0.00 C +ATOM 45 CE2 TYR A 3 -0.773 4.382 4.586 1.00 0.00 C +ATOM 46 CZ TYR A 3 -0.505 3.158 5.243 1.00 0.00 C +ATOM 47 OH TYR A 3 0.567 3.040 6.071 1.00 0.00 O +ATOM 48 H TYR A 3 -4.366 4.282 0.125 1.00 0.00 H +ATOM 49 HA TYR A 3 -2.345 2.592 1.013 1.00 0.00 H +ATOM 50 HB2 TYR A 3 -3.928 4.444 2.144 1.00 0.00 H +ATOM 51 HB3 TYR A 3 -4.687 3.030 2.829 1.00 0.00 H +ATOM 52 HD1 TYR A 3 -3.032 1.273 3.926 1.00 0.00 H +ATOM 53 HD2 TYR A 3 -2.028 5.403 3.166 1.00 0.00 H +ATOM 54 HE1 TYR A 3 -1.128 1.119 5.535 1.00 0.00 H +ATOM 55 HE2 TYR A 3 -0.160 5.252 4.768 1.00 0.00 H +ATOM 56 HH TYR A 3 1.163 3.787 5.994 1.00 0.00 H +ATOM 57 N ILE A 4 -5.227 0.988 0.788 1.00 0.00 N +ATOM 58 CA ILE A 4 -5.849 -0.340 0.711 1.00 0.00 C +ATOM 59 C ILE A 4 -5.125 -1.216 -0.325 1.00 0.00 C +ATOM 60 O ILE A 4 -4.736 -2.340 -0.013 1.00 0.00 O +ATOM 61 CB ILE A 4 -7.369 -0.238 0.414 1.00 0.00 C +ATOM 62 CG1 ILE A 4 -8.095 0.818 1.288 1.00 0.00 C +ATOM 63 CG2 ILE A 4 -8.031 -1.608 0.641 1.00 0.00 C +ATOM 64 CD1 ILE A 4 -8.378 2.119 0.526 1.00 0.00 C +ATOM 65 H ILE A 4 -5.784 1.799 0.563 1.00 0.00 H +ATOM 66 HA ILE A 4 -5.728 -0.819 1.684 1.00 0.00 H +ATOM 67 HB ILE A 4 -7.507 0.023 -0.637 1.00 0.00 H +ATOM 68 HG12 ILE A 4 -9.027 0.405 1.622 1.00 0.00 H +ATOM 69 HG13 ILE A 4 -7.505 1.038 2.179 1.00 0.00 H +ATOM 70 HG21 ILE A 4 -7.517 -2.377 0.069 1.00 0.00 H +ATOM 71 HG22 ILE A 4 -7.986 -1.872 1.699 1.00 0.00 H +ATOM 72 HG23 ILE A 4 -9.075 -1.566 0.331 1.00 0.00 H +ATOM 73 HD11 ILE A 4 -7.483 2.471 0.011 1.00 0.00 H +ATOM 74 HD12 ILE A 4 -9.168 1.948 -0.207 1.00 0.00 H +ATOM 75 HD13 ILE A 4 -8.711 2.887 1.226 1.00 0.00 H +ATOM 76 N GLN A 5 -4.916 -0.702 -1.546 1.00 0.00 N +ATOM 77 CA GLN A 5 -4.150 -1.391 -2.590 1.00 0.00 C +ATOM 78 C GLN A 5 -2.691 -1.624 -2.173 1.00 0.00 C +ATOM 79 O GLN A 5 -2.176 -2.721 -2.360 1.00 0.00 O +ATOM 80 CB GLN A 5 -4.230 -0.639 -3.931 1.00 0.00 C +ATOM 81 CG GLN A 5 -5.625 -0.733 -4.579 1.00 0.00 C +ATOM 82 CD GLN A 5 -5.546 -0.884 -6.097 1.00 0.00 C +ATOM 83 OE1 GLN A 5 -5.814 -1.942 -6.641 1.00 0.00 O +ATOM 84 NE2 GLN A 5 -5.189 0.150 -6.835 1.00 0.00 N +ATOM 85 H GLN A 5 -5.185 0.257 -1.709 1.00 0.00 H +ATOM 86 HA GLN A 5 -4.580 -2.380 -2.738 1.00 0.00 H +ATOM 87 HB2 GLN A 5 -3.999 0.395 -3.760 1.00 0.00 H +ATOM 88 HB3 GLN A 5 -3.503 -1.090 -4.608 1.00 0.00 H +ATOM 89 HG2 GLN A 5 -6.138 -1.583 -4.173 1.00 0.00 H +ATOM 90 HG3 GLN A 5 -6.209 0.153 -4.330 1.00 0.00 H +ATOM 91 HE21 GLN A 5 -4.962 1.049 -6.453 1.00 0.00 H +ATOM 92 HE22 GLN A 5 -5.143 -0.061 -7.818 1.00 0.00 H +ATOM 93 N TRP A 6 -2.038 -0.638 -1.550 1.00 0.00 N +ATOM 94 CA TRP A 6 -0.680 -0.802 -1.023 1.00 0.00 C +ATOM 95 C TRP A 6 -0.581 -1.902 0.052 1.00 0.00 C +ATOM 96 O TRP A 6 0.370 -2.683 0.054 1.00 0.00 O +ATOM 97 CB TRP A 6 -0.182 0.548 -0.505 1.00 0.00 C +ATOM 98 CG TRP A 6 1.217 0.527 0.021 1.00 0.00 C +ATOM 99 CD1 TRP A 6 2.341 0.528 -0.734 1.00 0.00 C +ATOM 100 CD2 TRP A 6 1.664 0.460 1.409 1.00 0.00 C +ATOM 101 NE1 TRP A 6 3.445 0.460 0.092 1.00 0.00 N +ATOM 102 CE2 TRP A 6 3.088 0.426 1.419 1.00 0.00 C +ATOM 103 CE3 TRP A 6 1.014 0.427 2.664 1.00 0.00 C +ATOM 104 CZ2 TRP A 6 3.837 0.383 2.600 1.00 0.00 C +ATOM 105 CZ3 TRP A 6 1.756 0.370 3.860 1.00 0.00 C +ATOM 106 CH2 TRP A 6 3.163 0.355 3.831 1.00 0.00 C +ATOM 107 H TRP A 6 -2.505 0.261 -1.452 1.00 0.00 H +ATOM 108 HA TRP A 6 -0.030 -1.112 -1.845 1.00 0.00 H +ATOM 109 HB2 TRP A 6 -0.227 1.255 -1.311 1.00 0.00 H +ATOM 110 HB3 TRP A 6 -0.844 0.890 0.290 1.00 0.00 H +ATOM 111 HD1 TRP A 6 2.361 0.562 -1.814 1.00 0.00 H +ATOM 112 HE1 TRP A 6 4.420 0.464 -0.212 1.00 0.00 H +ATOM 113 HE3 TRP A 6 -0.065 0.453 2.696 1.00 0.00 H +ATOM 114 HZ2 TRP A 6 4.916 0.365 2.548 1.00 0.00 H +ATOM 115 HZ3 TRP A 6 1.242 0.352 4.811 1.00 0.00 H +ATOM 116 HH2 TRP A 6 3.723 0.327 4.755 1.00 0.00 H +ATOM 117 N LEU A 7 -1.576 -2.011 0.945 1.00 0.00 N +ATOM 118 CA LEU A 7 -1.649 -3.105 1.914 1.00 0.00 C +ATOM 119 C LEU A 7 -1.882 -4.474 1.254 1.00 0.00 C +ATOM 120 O LEU A 7 -1.265 -5.442 1.698 1.00 0.00 O +ATOM 121 CB LEU A 7 -2.712 -2.809 2.985 1.00 0.00 C +ATOM 122 CG LEU A 7 -2.272 -1.754 4.020 1.00 0.00 C +ATOM 123 CD1 LEU A 7 -3.470 -1.358 4.888 1.00 0.00 C +ATOM 124 CD2 LEU A 7 -1.166 -2.267 4.955 1.00 0.00 C +ATOM 125 H LEU A 7 -2.302 -1.297 0.951 1.00 0.00 H +ATOM 126 HA LEU A 7 -0.678 -3.182 2.402 1.00 0.00 H +ATOM 127 HB2 LEU A 7 -3.598 -2.454 2.494 1.00 0.00 H +ATOM 128 HB3 LEU A 7 -2.946 -3.732 3.519 1.00 0.00 H +ATOM 129 HG LEU A 7 -1.907 -0.864 3.508 1.00 0.00 H +ATOM 130 HD11 LEU A 7 -4.258 -0.942 4.261 1.00 0.00 H +ATOM 131 HD12 LEU A 7 -3.855 -2.232 5.416 1.00 0.00 H +ATOM 132 HD13 LEU A 7 -3.169 -0.607 5.619 1.00 0.00 H +ATOM 133 HD21 LEU A 7 -1.504 -3.160 5.481 1.00 0.00 H +ATOM 134 HD22 LEU A 7 -0.268 -2.501 4.389 1.00 0.00 H +ATOM 135 HD23 LEU A 7 -0.914 -1.496 5.684 1.00 0.00 H +ATOM 136 N LYS A 8 -2.698 -4.571 0.188 1.00 0.00 N +ATOM 137 CA LYS A 8 -2.920 -5.824 -0.568 1.00 0.00 C +ATOM 138 C LYS A 8 -1.620 -6.483 -1.050 1.00 0.00 C +ATOM 139 O LYS A 8 -1.511 -7.703 -0.966 1.00 0.00 O +ATOM 140 CB LYS A 8 -3.867 -5.590 -1.762 1.00 0.00 C +ATOM 141 CG LYS A 8 -5.354 -5.831 -1.453 1.00 0.00 C +ATOM 142 CD LYS A 8 -6.249 -4.698 -1.982 1.00 0.00 C +ATOM 143 CE LYS A 8 -7.691 -5.177 -2.180 1.00 0.00 C +ATOM 144 NZ LYS A 8 -8.665 -4.079 -1.976 1.00 0.00 N +ATOM 145 H LYS A 8 -3.180 -3.726 -0.103 1.00 0.00 H +ATOM 146 HA LYS A 8 -3.374 -6.556 0.102 1.00 0.00 H +ATOM 147 HB2 LYS A 8 -3.752 -4.574 -2.087 1.00 0.00 H +ATOM 148 HB3 LYS A 8 -3.594 -6.271 -2.572 1.00 0.00 H +ATOM 149 HG2 LYS A 8 -5.657 -6.753 -1.911 1.00 0.00 H +ATOM 150 HG3 LYS A 8 -5.512 -5.922 -0.377 1.00 0.00 H +ATOM 151 HD2 LYS A 8 -6.243 -3.889 -1.277 1.00 0.00 H +ATOM 152 HD3 LYS A 8 -5.872 -4.334 -2.938 1.00 0.00 H +ATOM 153 HE2 LYS A 8 -7.798 -5.556 -3.178 1.00 0.00 H +ATOM 154 HE3 LYS A 8 -7.897 -5.991 -1.480 1.00 0.00 H +ATOM 155 HZ1 LYS A 8 -8.685 -3.817 -0.999 1.00 0.00 H +ATOM 156 HZ2 LYS A 8 -8.405 -3.272 -2.528 1.00 0.00 H +ATOM 157 HZ3 LYS A 8 -9.592 -4.377 -2.248 1.00 0.00 H +ATOM 158 N ASP A 9 -0.639 -5.703 -1.510 1.00 0.00 N +ATOM 159 CA ASP A 9 0.688 -6.202 -1.905 1.00 0.00 C +ATOM 160 C ASP A 9 1.568 -6.674 -0.725 1.00 0.00 C +ATOM 161 O ASP A 9 2.581 -7.332 -0.959 1.00 0.00 O +ATOM 162 CB ASP A 9 1.424 -5.117 -2.708 1.00 0.00 C +ATOM 163 CG ASP A 9 1.030 -5.128 -4.186 1.00 0.00 C +ATOM 164 OD1 ASP A 9 0.004 -4.494 -4.518 1.00 0.00 O +ATOM 165 OD2 ASP A 9 1.768 -5.764 -4.970 1.00 0.00 O +ATOM 166 H ASP A 9 -0.835 -4.715 -1.632 1.00 0.00 H +ATOM 167 HA ASP A 9 0.559 -7.070 -2.554 1.00 0.00 H +ATOM 168 HB2 ASP A 9 1.184 -4.157 -2.293 1.00 0.00 H +ATOM 169 HB3 ASP A 9 2.495 -5.299 -2.651 1.00 0.00 H +ATOM 170 N GLY A 10 1.193 -6.382 0.530 1.00 0.00 N +ATOM 171 CA GLY A 10 1.971 -6.722 1.726 1.00 0.00 C +ATOM 172 C GLY A 10 2.536 -5.512 2.484 1.00 0.00 C +ATOM 173 O GLY A 10 3.434 -5.686 3.319 1.00 0.00 O +ATOM 174 H GLY A 10 0.285 -5.945 0.663 1.00 0.00 H +ATOM 175 HA2 GLY A 10 1.329 -7.276 2.410 1.00 0.00 H +ATOM 176 HA3 GLY A 10 2.805 -7.370 1.457 1.00 0.00 H +ATOM 177 N GLY A 11 2.052 -4.294 2.195 1.00 0.00 N +ATOM 178 CA GLY A 11 2.478 -3.045 2.826 1.00 0.00 C +ATOM 179 C GLY A 11 4.005 -2.879 2.813 1.00 0.00 C +ATOM 180 O GLY A 11 4.582 -2.906 1.721 1.00 0.00 O +ATOM 181 H GLY A 11 1.402 -4.219 1.418 1.00 0.00 H +ATOM 182 HA2 GLY A 11 2.046 -2.213 2.270 1.00 0.00 H +ATOM 183 HA3 GLY A 11 2.084 -3.016 3.839 1.00 0.00 H +ATOM 184 N PRO A 12 4.692 -2.759 3.973 1.00 0.00 N +ATOM 185 CA PRO A 12 6.152 -2.629 4.039 1.00 0.00 C +ATOM 186 C PRO A 12 6.923 -3.746 3.321 1.00 0.00 C +ATOM 187 O PRO A 12 8.027 -3.514 2.831 1.00 0.00 O +ATOM 188 CB PRO A 12 6.510 -2.622 5.531 1.00 0.00 C +ATOM 189 CG PRO A 12 5.218 -2.200 6.225 1.00 0.00 C +ATOM 190 CD PRO A 12 4.129 -2.762 5.317 1.00 0.00 C +ATOM 191 HA PRO A 12 6.435 -1.671 3.598 1.00 0.00 H +ATOM 192 HB2 PRO A 12 6.814 -3.599 5.854 1.00 0.00 H +ATOM 193 HB3 PRO A 12 7.322 -1.925 5.744 1.00 0.00 H +ATOM 194 HG2 PRO A 12 5.154 -2.624 7.209 1.00 0.00 H +ATOM 195 HG3 PRO A 12 5.152 -1.112 6.247 1.00 0.00 H +ATOM 196 HD2 PRO A 12 3.874 -3.761 5.613 1.00 0.00 H +ATOM 197 HD3 PRO A 12 3.237 -2.141 5.389 1.00 0.00 H +ATOM 198 N SER A 13 6.342 -4.949 3.227 1.00 0.00 N +ATOM 199 CA SER A 13 6.953 -6.108 2.565 1.00 0.00 C +ATOM 200 C SER A 13 6.835 -6.089 1.028 1.00 0.00 C +ATOM 201 O SER A 13 7.310 -7.013 0.372 1.00 0.00 O +ATOM 202 CB SER A 13 6.418 -7.407 3.189 1.00 0.00 C +ATOM 203 OG SER A 13 5.049 -7.646 2.925 1.00 0.00 O +ATOM 204 H SER A 13 5.398 -5.042 3.586 1.00 0.00 H +ATOM 205 HA SER A 13 8.021 -6.087 2.780 1.00 0.00 H +ATOM 206 HB2 SER A 13 6.986 -8.229 2.798 1.00 0.00 H +ATOM 207 HB3 SER A 13 6.570 -7.367 4.269 1.00 0.00 H +ATOM 208 HG SER A 13 4.491 -6.875 3.179 1.00 0.00 H +ATOM 209 N SER A 14 6.261 -5.024 0.445 1.00 0.00 N +ATOM 210 CA SER A 14 5.991 -4.891 -1.000 1.00 0.00 C +ATOM 211 C SER A 14 7.137 -4.279 -1.817 1.00 0.00 C +ATOM 212 O SER A 14 7.039 -4.212 -3.040 1.00 0.00 O +ATOM 213 CB SER A 14 4.767 -3.997 -1.251 1.00 0.00 C +ATOM 214 OG SER A 14 3.740 -4.198 -0.309 1.00 0.00 O +ATOM 215 H SER A 14 5.896 -4.305 1.059 1.00 0.00 H +ATOM 216 HA SER A 14 5.772 -5.881 -1.404 1.00 0.00 H +ATOM 217 HB2 SER A 14 5.077 -2.971 -1.206 1.00 0.00 H +ATOM 218 HB3 SER A 14 4.387 -4.198 -2.253 1.00 0.00 H +ATOM 219 HG SER A 14 3.989 -3.688 0.498 1.00 0.00 H +ATOM 220 N GLY A 15 8.190 -3.753 -1.173 1.00 0.00 N +ATOM 221 CA GLY A 15 9.278 -3.048 -1.864 1.00 0.00 C +ATOM 222 C GLY A 15 8.923 -1.636 -2.363 1.00 0.00 C +ATOM 223 O GLY A 15 9.597 -1.125 -3.256 1.00 0.00 O +ATOM 224 H GLY A 15 8.230 -3.874 -0.169 1.00 0.00 H +ATOM 225 HA2 GLY A 15 10.132 -2.963 -1.193 1.00 0.00 H +ATOM 226 HA3 GLY A 15 9.593 -3.638 -2.728 1.00 0.00 H +ATOM 227 N ARG A 16 7.874 -1.002 -1.812 1.00 0.00 N +ATOM 228 CA ARG A 16 7.382 0.330 -2.201 1.00 0.00 C +ATOM 229 C ARG A 16 6.915 1.120 -0.964 1.00 0.00 C +ATOM 230 O ARG A 16 6.231 0.524 -0.128 1.00 0.00 O +ATOM 231 CB ARG A 16 6.224 0.134 -3.199 1.00 0.00 C +ATOM 232 CG ARG A 16 5.717 1.452 -3.807 1.00 0.00 C +ATOM 233 CD ARG A 16 4.513 1.235 -4.737 1.00 0.00 C +ATOM 234 NE ARG A 16 4.760 1.773 -6.087 1.00 0.00 N +ATOM 235 CZ ARG A 16 5.414 1.176 -7.078 1.00 0.00 C +ATOM 236 NH1 ARG A 16 5.904 -0.036 -6.958 1.00 0.00 N +ATOM 237 NH2 ARG A 16 5.592 1.801 -8.218 1.00 0.00 N +ATOM 238 H ARG A 16 7.386 -1.480 -1.068 1.00 0.00 H +ATOM 239 HA ARG A 16 8.193 0.866 -2.695 1.00 0.00 H +ATOM 240 HB2 ARG A 16 6.564 -0.500 -3.995 1.00 0.00 H +ATOM 241 HB3 ARG A 16 5.397 -0.368 -2.693 1.00 0.00 H +ATOM 242 HG2 ARG A 16 5.425 2.110 -3.011 1.00 0.00 H +ATOM 243 HG3 ARG A 16 6.533 1.921 -4.356 1.00 0.00 H +ATOM 244 HD2 ARG A 16 4.318 0.183 -4.813 1.00 0.00 H +ATOM 245 HD3 ARG A 16 3.650 1.750 -4.307 1.00 0.00 H +ATOM 246 HE ARG A 16 4.417 2.701 -6.269 1.00 0.00 H +ATOM 247 HH11 ARG A 16 5.763 -0.524 -6.091 1.00 0.00 H +ATOM 248 HH12 ARG A 16 6.395 -0.483 -7.711 1.00 0.00 H +ATOM 249 HH21 ARG A 16 5.241 2.733 -8.353 1.00 0.00 H +ATOM 250 HH22 ARG A 16 6.087 1.345 -8.963 1.00 0.00 H +ATOM 251 N PRO A 17 7.201 2.434 -0.845 1.00 0.00 N +ATOM 252 CA PRO A 17 6.709 3.260 0.266 1.00 0.00 C +ATOM 253 C PRO A 17 5.174 3.417 0.252 1.00 0.00 C +ATOM 254 O PRO A 17 4.553 3.245 -0.801 1.00 0.00 O +ATOM 255 CB PRO A 17 7.409 4.616 0.102 1.00 0.00 C +ATOM 256 CG PRO A 17 7.686 4.697 -1.397 1.00 0.00 C +ATOM 257 CD PRO A 17 7.996 3.247 -1.757 1.00 0.00 C +ATOM 258 HA PRO A 17 7.014 2.807 1.209 1.00 0.00 H +ATOM 259 HB2 PRO A 17 6.770 5.418 0.418 1.00 0.00 H +ATOM 260 HB3 PRO A 17 8.355 4.606 0.646 1.00 0.00 H +ATOM 261 HG2 PRO A 17 6.826 5.053 -1.931 1.00 0.00 H +ATOM 262 HG3 PRO A 17 8.523 5.360 -1.621 1.00 0.00 H +ATOM 263 HD2 PRO A 17 7.719 3.047 -2.774 1.00 0.00 H +ATOM 264 HD3 PRO A 17 9.056 3.045 -1.589 1.00 0.00 H +ATOM 265 N PRO A 18 4.551 3.769 1.395 1.00 0.00 N +ATOM 266 CA PRO A 18 3.107 3.972 1.479 1.00 0.00 C +ATOM 267 C PRO A 18 2.667 5.246 0.736 1.00 0.00 C +ATOM 268 O PRO A 18 3.406 6.231 0.715 1.00 0.00 O +ATOM 269 CB PRO A 18 2.790 4.070 2.975 1.00 0.00 C +ATOM 270 CG PRO A 18 4.088 4.608 3.577 1.00 0.00 C +ATOM 271 CD PRO A 18 5.169 3.986 2.696 1.00 0.00 C +ATOM 272 HA PRO A 18 2.605 3.104 1.061 1.00 0.00 H +ATOM 273 HB2 PRO A 18 1.976 4.746 3.152 1.00 0.00 H +ATOM 274 HB3 PRO A 18 2.591 3.076 3.371 1.00 0.00 H +ATOM 275 HG2 PRO A 18 4.120 5.679 3.526 1.00 0.00 H +ATOM 276 HG3 PRO A 18 4.200 4.315 4.621 1.00 0.00 H +ATOM 277 HD2 PRO A 18 6.005 4.652 2.605 1.00 0.00 H +ATOM 278 HD3 PRO A 18 5.478 3.028 3.113 1.00 0.00 H +ATOM 279 N PRO A 19 1.453 5.261 0.157 1.00 0.00 N +ATOM 280 CA PRO A 19 0.895 6.437 -0.497 1.00 0.00 C +ATOM 281 C PRO A 19 0.313 7.426 0.527 1.00 0.00 C +ATOM 282 O PRO A 19 -0.289 7.024 1.526 1.00 0.00 O +ATOM 283 CB PRO A 19 -0.191 5.879 -1.419 1.00 0.00 C +ATOM 284 CG PRO A 19 -0.709 4.662 -0.648 1.00 0.00 C +ATOM 285 CD PRO A 19 0.528 4.140 0.072 1.00 0.00 C +ATOM 286 HA PRO A 19 1.661 6.937 -1.093 1.00 0.00 H +ATOM 287 HB2 PRO A 19 -0.972 6.598 -1.574 1.00 0.00 H +ATOM 288 HB3 PRO A 19 0.264 5.549 -2.354 1.00 0.00 H +ATOM 289 HG2 PRO A 19 -1.469 4.948 0.054 1.00 0.00 H +ATOM 290 HG3 PRO A 19 -1.113 3.904 -1.316 1.00 0.00 H +ATOM 291 HD2 PRO A 19 0.269 3.796 1.055 1.00 0.00 H +ATOM 292 HD3 PRO A 19 0.983 3.342 -0.516 1.00 0.00 H +ATOM 293 N SER A 20 0.435 8.721 0.221 1.00 0.00 N +ATOM 294 CA SER A 20 -0.096 9.858 0.986 1.00 0.00 C +ATOM 295 C SER A 20 -0.738 10.863 0.030 1.00 0.00 C +ATOM 296 O SER A 20 0.078 11.508 -0.677 1.00 0.00 O +ATOM 297 CB SER A 20 1.036 10.515 1.790 1.00 0.00 C +ATOM 298 OG SER A 20 1.921 11.080 0.848 1.00 0.00 O +ATOM 299 OXT SER A 20 -1.985 10.935 0.010 1.00 0.00 O +ATOM 300 H SER A 20 0.966 8.976 -0.599 1.00 0.00 H +ATOM 301 HA SER A 20 -0.871 9.518 1.672 1.00 0.00 H +ATOM 302 HB2 SER A 20 0.640 11.279 2.431 1.00 0.00 H +ATOM 303 HB3 SER A 20 1.548 9.780 2.415 1.00 0.00 H +ATOM 304 HG SER A 20 1.284 11.357 0.104 1.00 0.00 H +TER 305 SER A 20 +ENDMDL +MODEL 16 +ATOM 1 N ASN A 1 -8.985 3.821 -0.843 1.00 0.00 N +ATOM 2 CA ASN A 1 -8.461 2.997 -1.957 1.00 0.00 C +ATOM 3 C ASN A 1 -6.942 2.892 -1.960 1.00 0.00 C +ATOM 4 O ASN A 1 -6.453 1.798 -1.714 1.00 0.00 O +ATOM 5 CB ASN A 1 -9.056 3.439 -3.298 1.00 0.00 C +ATOM 6 CG ASN A 1 -10.516 3.025 -3.296 1.00 0.00 C +ATOM 7 OD1 ASN A 1 -11.303 3.596 -2.558 1.00 0.00 O +ATOM 8 ND2 ASN A 1 -10.879 1.968 -3.997 1.00 0.00 N +ATOM 9 H1 ASN A 1 -8.630 3.491 0.044 1.00 0.00 H +ATOM 10 H2 ASN A 1 -8.733 4.791 -0.971 1.00 0.00 H +ATOM 11 H3 ASN A 1 -9.999 3.760 -0.843 1.00 0.00 H +ATOM 12 HA ASN A 1 -8.800 1.972 -1.795 1.00 0.00 H +ATOM 13 HB2 ASN A 1 -8.975 4.504 -3.404 1.00 0.00 H +ATOM 14 HB3 ASN A 1 -8.543 2.956 -4.125 1.00 0.00 H +ATOM 15 HD21 ASN A 1 -10.234 1.458 -4.583 1.00 0.00 H +ATOM 16 HD22 ASN A 1 -11.851 1.711 -3.928 1.00 0.00 H +ATOM 17 N LEU A 2 -6.201 3.988 -2.170 1.00 0.00 N +ATOM 18 CA LEU A 2 -4.729 4.023 -2.199 1.00 0.00 C +ATOM 19 C LEU A 2 -4.037 3.168 -1.116 1.00 0.00 C +ATOM 20 O LEU A 2 -3.314 2.226 -1.445 1.00 0.00 O +ATOM 21 CB LEU A 2 -4.249 5.491 -2.208 1.00 0.00 C +ATOM 22 CG LEU A 2 -4.830 6.411 -1.102 1.00 0.00 C +ATOM 23 CD1 LEU A 2 -3.744 6.981 -0.191 1.00 0.00 C +ATOM 24 CD2 LEU A 2 -5.610 7.577 -1.716 1.00 0.00 C +ATOM 25 H LEU A 2 -6.656 4.854 -2.419 1.00 0.00 H +ATOM 26 HA LEU A 2 -4.416 3.587 -3.149 1.00 0.00 H +ATOM 27 HB2 LEU A 2 -3.181 5.487 -2.102 1.00 0.00 H +ATOM 28 HB3 LEU A 2 -4.495 5.911 -3.186 1.00 0.00 H +ATOM 29 HG LEU A 2 -5.519 5.848 -0.473 1.00 0.00 H +ATOM 30 HD11 LEU A 2 -3.233 6.180 0.339 1.00 0.00 H +ATOM 31 HD12 LEU A 2 -3.013 7.542 -0.773 1.00 0.00 H +ATOM 32 HD13 LEU A 2 -4.187 7.648 0.549 1.00 0.00 H +ATOM 33 HD21 LEU A 2 -4.940 8.203 -2.305 1.00 0.00 H +ATOM 34 HD22 LEU A 2 -6.406 7.203 -2.358 1.00 0.00 H +ATOM 35 HD23 LEU A 2 -6.050 8.182 -0.924 1.00 0.00 H +ATOM 36 N TYR A 3 -4.276 3.462 0.168 1.00 0.00 N +ATOM 37 CA TYR A 3 -3.662 2.734 1.282 1.00 0.00 C +ATOM 38 C TYR A 3 -4.055 1.248 1.304 1.00 0.00 C +ATOM 39 O TYR A 3 -3.199 0.393 1.521 1.00 0.00 O +ATOM 40 CB TYR A 3 -4.017 3.443 2.599 1.00 0.00 C +ATOM 41 CG TYR A 3 -3.241 2.974 3.819 1.00 0.00 C +ATOM 42 CD1 TYR A 3 -1.832 2.899 3.785 1.00 0.00 C +ATOM 43 CD2 TYR A 3 -3.928 2.662 5.010 1.00 0.00 C +ATOM 44 CE1 TYR A 3 -1.115 2.469 4.918 1.00 0.00 C +ATOM 45 CE2 TYR A 3 -3.214 2.261 6.153 1.00 0.00 C +ATOM 46 CZ TYR A 3 -1.810 2.142 6.104 1.00 0.00 C +ATOM 47 OH TYR A 3 -1.150 1.670 7.197 1.00 0.00 O +ATOM 48 H TYR A 3 -4.837 4.272 0.378 1.00 0.00 H +ATOM 49 HA TYR A 3 -2.581 2.779 1.145 1.00 0.00 H +ATOM 50 HB2 TYR A 3 -3.831 4.492 2.471 1.00 0.00 H +ATOM 51 HB3 TYR A 3 -5.087 3.318 2.784 1.00 0.00 H +ATOM 52 HD1 TYR A 3 -1.288 3.179 2.895 1.00 0.00 H +ATOM 53 HD2 TYR A 3 -5.005 2.735 5.060 1.00 0.00 H +ATOM 54 HE1 TYR A 3 -0.037 2.418 4.887 1.00 0.00 H +ATOM 55 HE2 TYR A 3 -3.725 2.015 7.071 1.00 0.00 H +ATOM 56 HH TYR A 3 -0.473 1.035 6.968 1.00 0.00 H +ATOM 57 N ILE A 4 -5.324 0.935 1.003 1.00 0.00 N +ATOM 58 CA ILE A 4 -5.835 -0.433 0.848 1.00 0.00 C +ATOM 59 C ILE A 4 -5.070 -1.165 -0.259 1.00 0.00 C +ATOM 60 O ILE A 4 -4.556 -2.249 -0.010 1.00 0.00 O +ATOM 61 CB ILE A 4 -7.373 -0.454 0.628 1.00 0.00 C +ATOM 62 CG1 ILE A 4 -8.119 0.069 1.882 1.00 0.00 C +ATOM 63 CG2 ILE A 4 -7.865 -1.878 0.304 1.00 0.00 C +ATOM 64 CD1 ILE A 4 -8.406 1.577 1.860 1.00 0.00 C +ATOM 65 H ILE A 4 -5.933 1.699 0.766 1.00 0.00 H +ATOM 66 HA ILE A 4 -5.626 -0.976 1.772 1.00 0.00 H +ATOM 67 HB ILE A 4 -7.639 0.170 -0.222 1.00 0.00 H +ATOM 68 HG12 ILE A 4 -9.055 -0.451 1.958 1.00 0.00 H +ATOM 69 HG13 ILE A 4 -7.537 -0.172 2.773 1.00 0.00 H +ATOM 70 HG21 ILE A 4 -7.467 -2.211 -0.654 1.00 0.00 H +ATOM 71 HG22 ILE A 4 -7.552 -2.574 1.084 1.00 0.00 H +ATOM 72 HG23 ILE A 4 -8.953 -1.892 0.229 1.00 0.00 H +ATOM 73 HD11 ILE A 4 -7.613 2.129 1.361 1.00 0.00 H +ATOM 74 HD12 ILE A 4 -9.347 1.759 1.338 1.00 0.00 H +ATOM 75 HD13 ILE A 4 -8.496 1.941 2.884 1.00 0.00 H +ATOM 76 N GLN A 5 -4.953 -0.577 -1.456 1.00 0.00 N +ATOM 77 CA GLN A 5 -4.193 -1.137 -2.578 1.00 0.00 C +ATOM 78 C GLN A 5 -2.737 -1.444 -2.205 1.00 0.00 C +ATOM 79 O GLN A 5 -2.269 -2.544 -2.502 1.00 0.00 O +ATOM 80 CB GLN A 5 -4.275 -0.188 -3.786 1.00 0.00 C +ATOM 81 CG GLN A 5 -5.565 -0.416 -4.589 1.00 0.00 C +ATOM 82 CD GLN A 5 -5.973 0.808 -5.398 1.00 0.00 C +ATOM 83 OE1 GLN A 5 -7.023 1.388 -5.178 1.00 0.00 O +ATOM 84 NE2 GLN A 5 -5.173 1.247 -6.352 1.00 0.00 N +ATOM 85 H GLN A 5 -5.394 0.332 -1.576 1.00 0.00 H +ATOM 86 HA GLN A 5 -4.644 -2.090 -2.855 1.00 0.00 H +ATOM 87 HB2 GLN A 5 -4.256 0.826 -3.436 1.00 0.00 H +ATOM 88 HB3 GLN A 5 -3.423 -0.354 -4.446 1.00 0.00 H +ATOM 89 HG2 GLN A 5 -5.411 -1.237 -5.262 1.00 0.00 H +ATOM 90 HG3 GLN A 5 -6.383 -0.657 -3.908 1.00 0.00 H +ATOM 91 HE21 GLN A 5 -4.298 0.808 -6.577 1.00 0.00 H +ATOM 92 HE22 GLN A 5 -5.526 2.044 -6.855 1.00 0.00 H +ATOM 93 N TRP A 6 -2.045 -0.512 -1.537 1.00 0.00 N +ATOM 94 CA TRP A 6 -0.676 -0.717 -1.051 1.00 0.00 C +ATOM 95 C TRP A 6 -0.574 -1.823 0.011 1.00 0.00 C +ATOM 96 O TRP A 6 0.277 -2.708 -0.097 1.00 0.00 O +ATOM 97 CB TRP A 6 -0.129 0.610 -0.523 1.00 0.00 C +ATOM 98 CG TRP A 6 1.281 0.547 -0.017 1.00 0.00 C +ATOM 99 CD1 TRP A 6 2.388 0.529 -0.785 1.00 0.00 C +ATOM 100 CD2 TRP A 6 1.751 0.483 1.369 1.00 0.00 C +ATOM 101 NE1 TRP A 6 3.510 0.450 0.021 1.00 0.00 N +ATOM 102 CE2 TRP A 6 3.175 0.431 1.351 1.00 0.00 C +ATOM 103 CE3 TRP A 6 1.129 0.466 2.636 1.00 0.00 C +ATOM 104 CZ2 TRP A 6 3.949 0.390 2.518 1.00 0.00 C +ATOM 105 CZ3 TRP A 6 1.894 0.408 3.818 1.00 0.00 C +ATOM 106 CH2 TRP A 6 3.300 0.384 3.763 1.00 0.00 C +ATOM 107 H TRP A 6 -2.501 0.381 -1.357 1.00 0.00 H +ATOM 108 HA TRP A 6 -0.053 -1.031 -1.891 1.00 0.00 H +ATOM 109 HB2 TRP A 6 -0.167 1.328 -1.319 1.00 0.00 H +ATOM 110 HB3 TRP A 6 -0.772 0.969 0.281 1.00 0.00 H +ATOM 111 HD1 TRP A 6 2.399 0.570 -1.868 1.00 0.00 H +ATOM 112 HE1 TRP A 6 4.480 0.455 -0.290 1.00 0.00 H +ATOM 113 HE3 TRP A 6 0.051 0.501 2.690 1.00 0.00 H +ATOM 114 HZ2 TRP A 6 5.027 0.361 2.446 1.00 0.00 H +ATOM 115 HZ3 TRP A 6 1.403 0.391 4.779 1.00 0.00 H +ATOM 116 HH2 TRP A 6 3.881 0.356 4.673 1.00 0.00 H +ATOM 117 N LEU A 7 -1.457 -1.813 1.020 1.00 0.00 N +ATOM 118 CA LEU A 7 -1.515 -2.880 2.022 1.00 0.00 C +ATOM 119 C LEU A 7 -1.825 -4.246 1.392 1.00 0.00 C +ATOM 120 O LEU A 7 -1.201 -5.233 1.781 1.00 0.00 O +ATOM 121 CB LEU A 7 -2.540 -2.533 3.116 1.00 0.00 C +ATOM 122 CG LEU A 7 -2.096 -1.425 4.093 1.00 0.00 C +ATOM 123 CD1 LEU A 7 -3.250 -1.130 5.052 1.00 0.00 C +ATOM 124 CD2 LEU A 7 -0.870 -1.826 4.923 1.00 0.00 C +ATOM 125 H LEU A 7 -2.129 -1.050 1.079 1.00 0.00 H +ATOM 126 HA LEU A 7 -0.530 -2.978 2.476 1.00 0.00 H +ATOM 127 HB2 LEU A 7 -3.444 -2.212 2.636 1.00 0.00 H +ATOM 128 HB3 LEU A 7 -2.739 -3.435 3.698 1.00 0.00 H +ATOM 129 HG LEU A 7 -1.858 -0.515 3.546 1.00 0.00 H +ATOM 130 HD11 LEU A 7 -4.089 -0.709 4.497 1.00 0.00 H +ATOM 131 HD12 LEU A 7 -3.566 -2.044 5.557 1.00 0.00 H +ATOM 132 HD13 LEU A 7 -2.934 -0.410 5.803 1.00 0.00 H +ATOM 133 HD21 LEU A 7 -1.062 -2.759 5.451 1.00 0.00 H +ATOM 134 HD22 LEU A 7 0.000 -1.946 4.281 1.00 0.00 H +ATOM 135 HD23 LEU A 7 -0.647 -1.045 5.648 1.00 0.00 H +ATOM 136 N LYS A 8 -2.718 -4.307 0.394 1.00 0.00 N +ATOM 137 CA LYS A 8 -3.085 -5.532 -0.333 1.00 0.00 C +ATOM 138 C LYS A 8 -1.882 -6.223 -0.984 1.00 0.00 C +ATOM 139 O LYS A 8 -1.848 -7.448 -1.047 1.00 0.00 O +ATOM 140 CB LYS A 8 -4.149 -5.208 -1.398 1.00 0.00 C +ATOM 141 CG LYS A 8 -4.972 -6.445 -1.780 1.00 0.00 C +ATOM 142 CD LYS A 8 -5.913 -6.206 -2.971 1.00 0.00 C +ATOM 143 CE LYS A 8 -5.170 -6.233 -4.317 1.00 0.00 C +ATOM 144 NZ LYS A 8 -4.735 -4.890 -4.767 1.00 0.00 N +ATOM 145 H LYS A 8 -3.216 -3.446 0.170 1.00 0.00 H +ATOM 146 HA LYS A 8 -3.506 -6.236 0.387 1.00 0.00 H +ATOM 147 HB2 LYS A 8 -4.811 -4.457 -1.010 1.00 0.00 H +ATOM 148 HB3 LYS A 8 -3.649 -4.799 -2.275 1.00 0.00 H +ATOM 149 HG2 LYS A 8 -4.296 -7.239 -2.034 1.00 0.00 H +ATOM 150 HG3 LYS A 8 -5.577 -6.724 -0.915 1.00 0.00 H +ATOM 151 HD2 LYS A 8 -6.664 -6.972 -2.976 1.00 0.00 H +ATOM 152 HD3 LYS A 8 -6.467 -5.274 -2.843 1.00 0.00 H +ATOM 153 HE2 LYS A 8 -4.303 -6.857 -4.216 1.00 0.00 H +ATOM 154 HE3 LYS A 8 -5.841 -6.664 -5.066 1.00 0.00 H +ATOM 155 HZ1 LYS A 8 -5.540 -4.295 -4.905 1.00 0.00 H +ATOM 156 HZ2 LYS A 8 -4.116 -4.470 -4.084 1.00 0.00 H +ATOM 157 HZ3 LYS A 8 -4.232 -4.964 -5.642 1.00 0.00 H +ATOM 158 N ASP A 9 -0.902 -5.444 -1.456 1.00 0.00 N +ATOM 159 CA ASP A 9 0.348 -5.945 -2.038 1.00 0.00 C +ATOM 160 C ASP A 9 1.310 -6.525 -0.977 1.00 0.00 C +ATOM 161 O ASP A 9 2.208 -7.294 -1.310 1.00 0.00 O +ATOM 162 CB ASP A 9 1.013 -4.797 -2.817 1.00 0.00 C +ATOM 163 CG ASP A 9 1.703 -5.285 -4.093 1.00 0.00 C +ATOM 164 OD1 ASP A 9 0.950 -5.620 -5.038 1.00 0.00 O +ATOM 165 OD2 ASP A 9 2.951 -5.273 -4.135 1.00 0.00 O +ATOM 166 H ASP A 9 -1.024 -4.442 -1.395 1.00 0.00 H +ATOM 167 HA ASP A 9 0.107 -6.748 -2.738 1.00 0.00 H +ATOM 168 HB2 ASP A 9 0.261 -4.080 -3.084 1.00 0.00 H +ATOM 169 HB3 ASP A 9 1.722 -4.274 -2.176 1.00 0.00 H +ATOM 170 N GLY A 10 1.095 -6.194 0.306 1.00 0.00 N +ATOM 171 CA GLY A 10 1.925 -6.595 1.444 1.00 0.00 C +ATOM 172 C GLY A 10 2.500 -5.422 2.247 1.00 0.00 C +ATOM 173 O GLY A 10 3.312 -5.648 3.146 1.00 0.00 O +ATOM 174 H GLY A 10 0.256 -5.661 0.510 1.00 0.00 H +ATOM 175 HA2 GLY A 10 1.317 -7.196 2.118 1.00 0.00 H +ATOM 176 HA3 GLY A 10 2.758 -7.207 1.101 1.00 0.00 H +ATOM 177 N GLY A 11 2.118 -4.173 1.938 1.00 0.00 N +ATOM 178 CA GLY A 11 2.643 -2.980 2.600 1.00 0.00 C +ATOM 179 C GLY A 11 4.177 -2.920 2.520 1.00 0.00 C +ATOM 180 O GLY A 11 4.704 -2.996 1.404 1.00 0.00 O +ATOM 181 H GLY A 11 1.494 -4.036 1.148 1.00 0.00 H +ATOM 182 HA2 GLY A 11 2.239 -2.102 2.100 1.00 0.00 H +ATOM 183 HA3 GLY A 11 2.298 -2.976 3.632 1.00 0.00 H +ATOM 184 N PRO A 12 4.917 -2.819 3.647 1.00 0.00 N +ATOM 185 CA PRO A 12 6.382 -2.799 3.646 1.00 0.00 C +ATOM 186 C PRO A 12 7.030 -4.001 2.943 1.00 0.00 C +ATOM 187 O PRO A 12 8.063 -3.835 2.294 1.00 0.00 O +ATOM 188 CB PRO A 12 6.809 -2.746 5.118 1.00 0.00 C +ATOM 189 CG PRO A 12 5.582 -2.203 5.844 1.00 0.00 C +ATOM 190 CD PRO A 12 4.419 -2.739 5.012 1.00 0.00 C +ATOM 191 HA PRO A 12 6.713 -1.886 3.148 1.00 0.00 H +ATOM 192 HB2 PRO A 12 7.061 -3.725 5.477 1.00 0.00 H +ATOM 193 HB3 PRO A 12 7.675 -2.096 5.258 1.00 0.00 H +ATOM 194 HG2 PRO A 12 5.537 -2.571 6.851 1.00 0.00 H +ATOM 195 HG3 PRO A 12 5.587 -1.112 5.807 1.00 0.00 H +ATOM 196 HD2 PRO A 12 4.125 -3.710 5.361 1.00 0.00 H +ATOM 197 HD3 PRO A 12 3.565 -2.068 5.100 1.00 0.00 H +ATOM 198 N SER A 13 6.415 -5.193 3.014 1.00 0.00 N +ATOM 199 CA SER A 13 6.932 -6.420 2.383 1.00 0.00 C +ATOM 200 C SER A 13 7.055 -6.302 0.860 1.00 0.00 C +ATOM 201 O SER A 13 7.865 -6.999 0.255 1.00 0.00 O +ATOM 202 CB SER A 13 6.032 -7.613 2.710 1.00 0.00 C +ATOM 203 OG SER A 13 5.997 -7.832 4.106 1.00 0.00 O +ATOM 204 H SER A 13 5.544 -5.278 3.527 1.00 0.00 H +ATOM 205 HA SER A 13 7.927 -6.625 2.782 1.00 0.00 H +ATOM 206 HB2 SER A 13 5.038 -7.414 2.358 1.00 0.00 H +ATOM 207 HB3 SER A 13 6.424 -8.504 2.218 1.00 0.00 H +ATOM 208 HG SER A 13 5.429 -8.585 4.283 1.00 0.00 H +ATOM 209 N SER A 14 6.287 -5.390 0.254 1.00 0.00 N +ATOM 210 CA SER A 14 6.322 -5.050 -1.172 1.00 0.00 C +ATOM 211 C SER A 14 7.593 -4.289 -1.582 1.00 0.00 C +ATOM 212 O SER A 14 7.834 -4.108 -2.773 1.00 0.00 O +ATOM 213 CB SER A 14 5.101 -4.192 -1.567 1.00 0.00 C +ATOM 214 OG SER A 14 4.017 -4.292 -0.662 1.00 0.00 O +ATOM 215 H SER A 14 5.633 -4.881 0.831 1.00 0.00 H +ATOM 216 HA SER A 14 6.280 -5.977 -1.745 1.00 0.00 H +ATOM 217 HB2 SER A 14 5.409 -3.165 -1.614 1.00 0.00 H +ATOM 218 HB3 SER A 14 4.775 -4.489 -2.563 1.00 0.00 H +ATOM 219 HG SER A 14 4.222 -3.726 0.121 1.00 0.00 H +ATOM 220 N GLY A 15 8.386 -3.785 -0.622 1.00 0.00 N +ATOM 221 CA GLY A 15 9.603 -3.011 -0.885 1.00 0.00 C +ATOM 222 C GLY A 15 9.362 -1.593 -1.427 1.00 0.00 C +ATOM 223 O GLY A 15 10.306 -0.952 -1.881 1.00 0.00 O +ATOM 224 H GLY A 15 8.154 -3.973 0.353 1.00 0.00 H +ATOM 225 HA2 GLY A 15 10.169 -2.923 0.042 1.00 0.00 H +ATOM 226 HA3 GLY A 15 10.220 -3.549 -1.606 1.00 0.00 H +ATOM 227 N ARG A 16 8.117 -1.096 -1.381 1.00 0.00 N +ATOM 228 CA ARG A 16 7.691 0.212 -1.899 1.00 0.00 C +ATOM 229 C ARG A 16 7.091 1.060 -0.764 1.00 0.00 C +ATOM 230 O ARG A 16 6.300 0.516 0.009 1.00 0.00 O +ATOM 231 CB ARG A 16 6.671 -0.025 -3.030 1.00 0.00 C +ATOM 232 CG ARG A 16 6.236 1.275 -3.721 1.00 0.00 C +ATOM 233 CD ARG A 16 5.149 1.034 -4.770 1.00 0.00 C +ATOM 234 NE ARG A 16 4.730 2.310 -5.382 1.00 0.00 N +ATOM 235 CZ ARG A 16 3.684 2.515 -6.172 1.00 0.00 C +ATOM 236 NH1 ARG A 16 2.874 1.539 -6.511 1.00 0.00 N +ATOM 237 NH2 ARG A 16 3.433 3.717 -6.637 1.00 0.00 N +ATOM 238 H ARG A 16 7.418 -1.684 -0.950 1.00 0.00 H +ATOM 239 HA ARG A 16 8.564 0.718 -2.312 1.00 0.00 H +ATOM 240 HB2 ARG A 16 7.115 -0.671 -3.763 1.00 0.00 H +ATOM 241 HB3 ARG A 16 5.791 -0.523 -2.617 1.00 0.00 H +ATOM 242 HG2 ARG A 16 5.857 1.951 -2.979 1.00 0.00 H +ATOM 243 HG3 ARG A 16 7.100 1.731 -4.204 1.00 0.00 H +ATOM 244 HD2 ARG A 16 5.533 0.385 -5.534 1.00 0.00 H +ATOM 245 HD3 ARG A 16 4.293 0.562 -4.283 1.00 0.00 H +ATOM 246 HE ARG A 16 5.293 3.114 -5.162 1.00 0.00 H +ATOM 247 HH11 ARG A 16 3.073 0.618 -6.161 1.00 0.00 H +ATOM 248 HH12 ARG A 16 2.086 1.696 -7.110 1.00 0.00 H +ATOM 249 HH21 ARG A 16 4.029 4.490 -6.397 1.00 0.00 H +ATOM 250 HH22 ARG A 16 2.642 3.867 -7.235 1.00 0.00 H +ATOM 251 N PRO A 17 7.386 2.375 -0.671 1.00 0.00 N +ATOM 252 CA PRO A 17 6.796 3.253 0.346 1.00 0.00 C +ATOM 253 C PRO A 17 5.267 3.389 0.203 1.00 0.00 C +ATOM 254 O PRO A 17 4.733 3.160 -0.887 1.00 0.00 O +ATOM 255 CB PRO A 17 7.495 4.609 0.170 1.00 0.00 C +ATOM 256 CG PRO A 17 7.932 4.600 -1.293 1.00 0.00 C +ATOM 257 CD PRO A 17 8.291 3.135 -1.522 1.00 0.00 C +ATOM 258 HA PRO A 17 7.029 2.854 1.334 1.00 0.00 H +ATOM 259 HB2 PRO A 17 6.817 5.418 0.362 1.00 0.00 H +ATOM 260 HB3 PRO A 17 8.375 4.651 0.813 1.00 0.00 H +ATOM 261 HG2 PRO A 17 7.132 4.909 -1.938 1.00 0.00 H +ATOM 262 HG3 PRO A 17 8.783 5.259 -1.469 1.00 0.00 H +ATOM 263 HD2 PRO A 17 8.148 2.870 -2.552 1.00 0.00 H +ATOM 264 HD3 PRO A 17 9.319 2.954 -1.207 1.00 0.00 H +ATOM 265 N PRO A 18 4.555 3.783 1.280 1.00 0.00 N +ATOM 266 CA PRO A 18 3.107 3.955 1.251 1.00 0.00 C +ATOM 267 C PRO A 18 2.677 5.165 0.399 1.00 0.00 C +ATOM 268 O PRO A 18 3.440 6.118 0.240 1.00 0.00 O +ATOM 269 CB PRO A 18 2.682 4.114 2.714 1.00 0.00 C +ATOM 270 CG PRO A 18 3.920 4.702 3.385 1.00 0.00 C +ATOM 271 CD PRO A 18 5.071 4.058 2.612 1.00 0.00 C +ATOM 272 HA PRO A 18 2.660 3.050 0.846 1.00 0.00 H +ATOM 273 HB2 PRO A 18 1.846 4.781 2.800 1.00 0.00 H +ATOM 274 HB3 PRO A 18 2.472 3.133 3.140 1.00 0.00 H +ATOM 275 HG2 PRO A 18 3.940 5.770 3.288 1.00 0.00 H +ATOM 276 HG3 PRO A 18 3.960 4.460 4.446 1.00 0.00 H +ATOM 277 HD2 PRO A 18 5.906 4.730 2.557 1.00 0.00 H +ATOM 278 HD3 PRO A 18 5.353 3.118 3.092 1.00 0.00 H +ATOM 279 N PRO A 19 1.446 5.145 -0.145 1.00 0.00 N +ATOM 280 CA PRO A 19 0.886 6.247 -0.912 1.00 0.00 C +ATOM 281 C PRO A 19 0.347 7.353 0.009 1.00 0.00 C +ATOM 282 O PRO A 19 -0.657 7.156 0.691 1.00 0.00 O +ATOM 283 CB PRO A 19 -0.216 5.613 -1.764 1.00 0.00 C +ATOM 284 CG PRO A 19 -0.713 4.453 -0.902 1.00 0.00 C +ATOM 285 CD PRO A 19 0.539 4.007 -0.154 1.00 0.00 C +ATOM 286 HA PRO A 19 1.645 6.666 -1.575 1.00 0.00 H +ATOM 287 HB2 PRO A 19 -1.005 6.315 -1.954 1.00 0.00 H +ATOM 288 HB3 PRO A 19 0.222 5.216 -2.681 1.00 0.00 H +ATOM 289 HG2 PRO A 19 -1.473 4.780 -0.218 1.00 0.00 H +ATOM 290 HG3 PRO A 19 -1.118 3.650 -1.516 1.00 0.00 H +ATOM 291 HD2 PRO A 19 0.289 3.725 0.851 1.00 0.00 H +ATOM 292 HD3 PRO A 19 1.012 3.193 -0.700 1.00 0.00 H +ATOM 293 N SER A 20 0.994 8.526 -0.049 1.00 0.00 N +ATOM 294 CA SER A 20 0.653 9.774 0.659 1.00 0.00 C +ATOM 295 C SER A 20 0.918 9.764 2.177 1.00 0.00 C +ATOM 296 O SER A 20 0.442 10.754 2.789 1.00 0.00 O +ATOM 297 CB SER A 20 -0.786 10.208 0.336 1.00 0.00 C +ATOM 298 OG SER A 20 -0.959 11.455 0.965 1.00 0.00 O +ATOM 299 OXT SER A 20 1.603 8.846 2.675 1.00 0.00 O +ATOM 300 H SER A 20 1.867 8.518 -0.553 1.00 0.00 H +ATOM 301 HA SER A 20 1.307 10.553 0.271 1.00 0.00 H +ATOM 302 HB2 SER A 20 -0.919 10.302 -0.725 1.00 0.00 H +ATOM 303 HB3 SER A 20 -1.495 9.494 0.758 1.00 0.00 H +ATOM 304 HG SER A 20 -0.420 11.315 1.824 1.00 0.00 H +TER 305 SER A 20 +ENDMDL +MODEL 17 +ATOM 1 N ASN A 1 -8.598 5.262 -0.292 1.00 0.00 N +ATOM 2 CA ASN A 1 -8.658 3.999 -1.068 1.00 0.00 C +ATOM 3 C ASN A 1 -7.282 3.479 -1.479 1.00 0.00 C +ATOM 4 O ASN A 1 -7.038 2.293 -1.290 1.00 0.00 O +ATOM 5 CB ASN A 1 -9.633 4.090 -2.256 1.00 0.00 C +ATOM 6 CG ASN A 1 -11.034 3.705 -1.797 1.00 0.00 C +ATOM 7 OD1 ASN A 1 -11.203 2.706 -1.121 1.00 0.00 O +ATOM 8 ND2 ASN A 1 -12.056 4.485 -2.091 1.00 0.00 N +ATOM 9 H1 ASN A 1 -7.871 5.210 0.409 1.00 0.00 H +ATOM 10 H2 ASN A 1 -8.409 6.043 -0.906 1.00 0.00 H +ATOM 11 H3 ASN A 1 -9.483 5.425 0.171 1.00 0.00 H +ATOM 12 HA ASN A 1 -9.048 3.224 -0.405 1.00 0.00 H +ATOM 13 HB2 ASN A 1 -9.644 5.095 -2.633 1.00 0.00 H +ATOM 14 HB3 ASN A 1 -9.339 3.378 -3.028 1.00 0.00 H +ATOM 15 HD21 ASN A 1 -11.996 5.318 -2.653 1.00 0.00 H +ATOM 16 HD22 ASN A 1 -12.946 4.132 -1.770 1.00 0.00 H +ATOM 17 N LEU A 2 -6.367 4.322 -1.982 1.00 0.00 N +ATOM 18 CA LEU A 2 -5.025 3.900 -2.419 1.00 0.00 C +ATOM 19 C LEU A 2 -4.243 3.096 -1.364 1.00 0.00 C +ATOM 20 O LEU A 2 -3.570 2.120 -1.698 1.00 0.00 O +ATOM 21 CB LEU A 2 -4.224 5.145 -2.840 1.00 0.00 C +ATOM 22 CG LEU A 2 -4.672 5.767 -4.178 1.00 0.00 C +ATOM 23 CD1 LEU A 2 -3.897 7.063 -4.418 1.00 0.00 C +ATOM 24 CD2 LEU A 2 -4.426 4.814 -5.354 1.00 0.00 C +ATOM 25 H LEU A 2 -6.595 5.288 -2.162 1.00 0.00 H +ATOM 26 HA LEU A 2 -5.133 3.236 -3.278 1.00 0.00 H +ATOM 27 HB2 LEU A 2 -4.329 5.887 -2.073 1.00 0.00 H +ATOM 28 HB3 LEU A 2 -3.170 4.876 -2.925 1.00 0.00 H +ATOM 29 HG LEU A 2 -5.734 6.008 -4.131 1.00 0.00 H +ATOM 30 HD11 LEU A 2 -4.056 7.754 -3.588 1.00 0.00 H +ATOM 31 HD12 LEU A 2 -2.832 6.853 -4.509 1.00 0.00 H +ATOM 32 HD13 LEU A 2 -4.248 7.538 -5.334 1.00 0.00 H +ATOM 33 HD21 LEU A 2 -3.421 4.393 -5.292 1.00 0.00 H +ATOM 34 HD22 LEU A 2 -5.156 4.005 -5.345 1.00 0.00 H +ATOM 35 HD23 LEU A 2 -4.526 5.349 -6.297 1.00 0.00 H +ATOM 36 N TYR A 3 -4.383 3.462 -0.084 1.00 0.00 N +ATOM 37 CA TYR A 3 -3.757 2.758 1.034 1.00 0.00 C +ATOM 38 C TYR A 3 -4.175 1.279 1.120 1.00 0.00 C +ATOM 39 O TYR A 3 -3.350 0.425 1.441 1.00 0.00 O +ATOM 40 CB TYR A 3 -4.083 3.494 2.342 1.00 0.00 C +ATOM 41 CG TYR A 3 -3.021 3.296 3.403 1.00 0.00 C +ATOM 42 CD1 TYR A 3 -1.860 4.092 3.363 1.00 0.00 C +ATOM 43 CD2 TYR A 3 -3.175 2.317 4.405 1.00 0.00 C +ATOM 44 CE1 TYR A 3 -0.846 3.906 4.317 1.00 0.00 C +ATOM 45 CE2 TYR A 3 -2.162 2.132 5.366 1.00 0.00 C +ATOM 46 CZ TYR A 3 -0.992 2.923 5.318 1.00 0.00 C +ATOM 47 OH TYR A 3 0.011 2.729 6.217 1.00 0.00 O +ATOM 48 H TYR A 3 -4.910 4.298 0.109 1.00 0.00 H +ATOM 49 HA TYR A 3 -2.678 2.791 0.884 1.00 0.00 H +ATOM 50 HB2 TYR A 3 -4.169 4.543 2.134 1.00 0.00 H +ATOM 51 HB3 TYR A 3 -5.054 3.166 2.719 1.00 0.00 H +ATOM 52 HD1 TYR A 3 -1.741 4.850 2.600 1.00 0.00 H +ATOM 53 HD2 TYR A 3 -4.067 1.705 4.436 1.00 0.00 H +ATOM 54 HE1 TYR A 3 0.050 4.506 4.296 1.00 0.00 H +ATOM 55 HE2 TYR A 3 -2.281 1.396 6.145 1.00 0.00 H +ATOM 56 HH TYR A 3 -0.092 1.913 6.709 1.00 0.00 H +ATOM 57 N ILE A 4 -5.434 0.963 0.782 1.00 0.00 N +ATOM 58 CA ILE A 4 -5.959 -0.407 0.754 1.00 0.00 C +ATOM 59 C ILE A 4 -5.234 -1.224 -0.323 1.00 0.00 C +ATOM 60 O ILE A 4 -4.791 -2.341 -0.056 1.00 0.00 O +ATOM 61 CB ILE A 4 -7.489 -0.415 0.505 1.00 0.00 C +ATOM 62 CG1 ILE A 4 -8.287 0.574 1.386 1.00 0.00 C +ATOM 63 CG2 ILE A 4 -8.084 -1.834 0.645 1.00 0.00 C +ATOM 64 CD1 ILE A 4 -7.998 0.474 2.893 1.00 0.00 C +ATOM 65 H ILE A 4 -6.027 1.699 0.419 1.00 0.00 H +ATOM 66 HA ILE A 4 -5.758 -0.874 1.720 1.00 0.00 H +ATOM 67 HB ILE A 4 -7.652 -0.114 -0.531 1.00 0.00 H +ATOM 68 HG12 ILE A 4 -8.051 1.571 1.066 1.00 0.00 H +ATOM 69 HG13 ILE A 4 -9.351 0.403 1.219 1.00 0.00 H +ATOM 70 HG21 ILE A 4 -7.310 -2.600 0.624 1.00 0.00 H +ATOM 71 HG22 ILE A 4 -8.633 -1.940 1.582 1.00 0.00 H +ATOM 72 HG23 ILE A 4 -8.777 -2.015 -0.176 1.00 0.00 H +ATOM 73 HD11 ILE A 4 -7.679 -0.532 3.164 1.00 0.00 H +ATOM 74 HD12 ILE A 4 -7.214 1.179 3.165 1.00 0.00 H +ATOM 75 HD13 ILE A 4 -8.902 0.718 3.451 1.00 0.00 H +ATOM 76 N GLN A 5 -5.082 -0.658 -1.529 1.00 0.00 N +ATOM 77 CA GLN A 5 -4.322 -1.281 -2.612 1.00 0.00 C +ATOM 78 C GLN A 5 -2.862 -1.527 -2.213 1.00 0.00 C +ATOM 79 O GLN A 5 -2.351 -2.625 -2.425 1.00 0.00 O +ATOM 80 CB GLN A 5 -4.396 -0.435 -3.898 1.00 0.00 C +ATOM 81 CG GLN A 5 -5.293 -1.073 -4.971 1.00 0.00 C +ATOM 82 CD GLN A 5 -4.805 -0.728 -6.375 1.00 0.00 C +ATOM 83 OE1 GLN A 5 -4.736 0.424 -6.768 1.00 0.00 O +ATOM 84 NE2 GLN A 5 -4.436 -1.716 -7.169 1.00 0.00 N +ATOM 85 H GLN A 5 -5.436 0.282 -1.657 1.00 0.00 H +ATOM 86 HA GLN A 5 -4.757 -2.263 -2.799 1.00 0.00 H +ATOM 87 HB2 GLN A 5 -4.789 0.532 -3.651 1.00 0.00 H +ATOM 88 HB3 GLN A 5 -3.390 -0.336 -4.310 1.00 0.00 H +ATOM 89 HG2 GLN A 5 -5.281 -2.139 -4.848 1.00 0.00 H +ATOM 90 HG3 GLN A 5 -6.316 -0.718 -4.849 1.00 0.00 H +ATOM 91 HE21 GLN A 5 -4.461 -2.680 -6.883 1.00 0.00 H +ATOM 92 HE22 GLN A 5 -4.101 -1.424 -8.072 1.00 0.00 H +ATOM 93 N TRP A 6 -2.207 -0.530 -1.604 1.00 0.00 N +ATOM 94 CA TRP A 6 -0.837 -0.672 -1.104 1.00 0.00 C +ATOM 95 C TRP A 6 -0.705 -1.777 -0.043 1.00 0.00 C +ATOM 96 O TRP A 6 0.217 -2.593 -0.114 1.00 0.00 O +ATOM 97 CB TRP A 6 -0.347 0.675 -0.564 1.00 0.00 C +ATOM 98 CG TRP A 6 1.007 0.616 0.072 1.00 0.00 C +ATOM 99 CD1 TRP A 6 2.190 0.555 -0.580 1.00 0.00 C +ATOM 100 CD2 TRP A 6 1.332 0.576 1.493 1.00 0.00 C +ATOM 101 NE1 TRP A 6 3.222 0.465 0.337 1.00 0.00 N +ATOM 102 CE2 TRP A 6 2.749 0.489 1.629 1.00 0.00 C +ATOM 103 CE3 TRP A 6 0.572 0.607 2.680 1.00 0.00 C +ATOM 104 CZ2 TRP A 6 3.387 0.464 2.876 1.00 0.00 C +ATOM 105 CZ3 TRP A 6 1.201 0.554 3.937 1.00 0.00 C +ATOM 106 CH2 TRP A 6 2.602 0.496 4.040 1.00 0.00 C +ATOM 107 H TRP A 6 -2.687 0.361 -1.494 1.00 0.00 H +ATOM 108 HA TRP A 6 -0.192 -0.960 -1.936 1.00 0.00 H +ATOM 109 HB2 TRP A 6 -0.308 1.372 -1.379 1.00 0.00 H +ATOM 110 HB3 TRP A 6 -1.057 1.038 0.178 1.00 0.00 H +ATOM 111 HD1 TRP A 6 2.302 0.568 -1.656 1.00 0.00 H +ATOM 112 HE1 TRP A 6 4.213 0.428 0.099 1.00 0.00 H +ATOM 113 HE3 TRP A 6 -0.505 0.677 2.615 1.00 0.00 H +ATOM 114 HZ2 TRP A 6 4.464 0.415 2.929 1.00 0.00 H +ATOM 115 HZ3 TRP A 6 0.600 0.564 4.832 1.00 0.00 H +ATOM 116 HH2 TRP A 6 3.067 0.481 5.014 1.00 0.00 H +ATOM 117 N LEU A 7 -1.635 -1.843 0.921 1.00 0.00 N +ATOM 118 CA LEU A 7 -1.657 -2.918 1.915 1.00 0.00 C +ATOM 119 C LEU A 7 -1.850 -4.300 1.279 1.00 0.00 C +ATOM 120 O LEU A 7 -1.189 -5.245 1.705 1.00 0.00 O +ATOM 121 CB LEU A 7 -2.734 -2.654 2.978 1.00 0.00 C +ATOM 122 CG LEU A 7 -2.362 -1.573 4.010 1.00 0.00 C +ATOM 123 CD1 LEU A 7 -3.534 -1.401 4.981 1.00 0.00 C +ATOM 124 CD2 LEU A 7 -1.117 -1.940 4.827 1.00 0.00 C +ATOM 125 H LEU A 7 -2.351 -1.119 0.959 1.00 0.00 H +ATOM 126 HA LEU A 7 -0.679 -2.957 2.392 1.00 0.00 H +ATOM 127 HB2 LEU A 7 -3.631 -2.344 2.477 1.00 0.00 H +ATOM 128 HB3 LEU A 7 -2.923 -3.583 3.518 1.00 0.00 H +ATOM 129 HG LEU A 7 -2.187 -0.627 3.506 1.00 0.00 H +ATOM 130 HD11 LEU A 7 -4.451 -1.204 4.427 1.00 0.00 H +ATOM 131 HD12 LEU A 7 -3.657 -2.303 5.579 1.00 0.00 H +ATOM 132 HD13 LEU A 7 -3.341 -0.562 5.647 1.00 0.00 H +ATOM 133 HD21 LEU A 7 -1.237 -2.927 5.274 1.00 0.00 H +ATOM 134 HD22 LEU A 7 -0.232 -1.942 4.191 1.00 0.00 H +ATOM 135 HD23 LEU A 7 -0.962 -1.204 5.615 1.00 0.00 H +ATOM 136 N LYS A 8 -2.693 -4.415 0.243 1.00 0.00 N +ATOM 137 CA LYS A 8 -2.927 -5.668 -0.497 1.00 0.00 C +ATOM 138 C LYS A 8 -1.653 -6.277 -1.088 1.00 0.00 C +ATOM 139 O LYS A 8 -1.528 -7.496 -1.107 1.00 0.00 O +ATOM 140 CB LYS A 8 -3.973 -5.432 -1.602 1.00 0.00 C +ATOM 141 CG LYS A 8 -5.211 -6.326 -1.434 1.00 0.00 C +ATOM 142 CD LYS A 8 -6.475 -5.580 -1.872 1.00 0.00 C +ATOM 143 CE LYS A 8 -7.711 -6.420 -1.540 1.00 0.00 C +ATOM 144 NZ LYS A 8 -8.949 -5.755 -2.006 1.00 0.00 N +ATOM 145 H LYS A 8 -3.216 -3.585 -0.025 1.00 0.00 H +ATOM 146 HA LYS A 8 -3.295 -6.407 0.215 1.00 0.00 H +ATOM 147 HB2 LYS A 8 -4.282 -4.405 -1.571 1.00 0.00 H +ATOM 148 HB3 LYS A 8 -3.535 -5.617 -2.585 1.00 0.00 H +ATOM 149 HG2 LYS A 8 -5.095 -7.207 -2.035 1.00 0.00 H +ATOM 150 HG3 LYS A 8 -5.330 -6.615 -0.390 1.00 0.00 H +ATOM 151 HD2 LYS A 8 -6.532 -4.641 -1.355 1.00 0.00 H +ATOM 152 HD3 LYS A 8 -6.425 -5.375 -2.942 1.00 0.00 H +ATOM 153 HE2 LYS A 8 -7.625 -7.376 -2.020 1.00 0.00 H +ATOM 154 HE3 LYS A 8 -7.744 -6.556 -0.456 1.00 0.00 H +ATOM 155 HZ1 LYS A 8 -8.883 -4.758 -1.855 1.00 0.00 H +ATOM 156 HZ2 LYS A 8 -9.086 -5.926 -2.995 1.00 0.00 H +ATOM 157 HZ3 LYS A 8 -9.750 -6.109 -1.500 1.00 0.00 H +ATOM 158 N ASP A 9 -0.716 -5.437 -1.534 1.00 0.00 N +ATOM 159 CA ASP A 9 0.596 -5.859 -2.042 1.00 0.00 C +ATOM 160 C ASP A 9 1.481 -6.488 -0.941 1.00 0.00 C +ATOM 161 O ASP A 9 2.363 -7.284 -1.255 1.00 0.00 O +ATOM 162 CB ASP A 9 1.292 -4.644 -2.692 1.00 0.00 C +ATOM 163 CG ASP A 9 2.005 -4.972 -4.012 1.00 0.00 C +ATOM 164 OD1 ASP A 9 1.283 -5.311 -4.975 1.00 0.00 O +ATOM 165 OD2 ASP A 9 3.245 -4.797 -4.077 1.00 0.00 O +ATOM 166 H ASP A 9 -0.933 -4.447 -1.525 1.00 0.00 H +ATOM 167 HA ASP A 9 0.434 -6.621 -2.808 1.00 0.00 H +ATOM 168 HB2 ASP A 9 0.551 -3.893 -2.885 1.00 0.00 H +ATOM 169 HB3 ASP A 9 2.002 -4.208 -1.987 1.00 0.00 H +ATOM 170 N GLY A 10 1.219 -6.165 0.339 1.00 0.00 N +ATOM 171 CA GLY A 10 2.000 -6.593 1.510 1.00 0.00 C +ATOM 172 C GLY A 10 2.552 -5.441 2.368 1.00 0.00 C +ATOM 173 O GLY A 10 3.421 -5.669 3.222 1.00 0.00 O +ATOM 174 H GLY A 10 0.387 -5.611 0.509 1.00 0.00 H +ATOM 175 HA2 GLY A 10 1.359 -7.205 2.144 1.00 0.00 H +ATOM 176 HA3 GLY A 10 2.843 -7.202 1.190 1.00 0.00 H +ATOM 177 N GLY A 11 2.100 -4.200 2.127 1.00 0.00 N +ATOM 178 CA GLY A 11 2.565 -3.016 2.844 1.00 0.00 C +ATOM 179 C GLY A 11 4.085 -2.823 2.696 1.00 0.00 C +ATOM 180 O GLY A 11 4.601 -2.976 1.581 1.00 0.00 O +ATOM 181 H GLY A 11 1.469 -4.062 1.347 1.00 0.00 H +ATOM 182 HA2 GLY A 11 2.060 -2.134 2.448 1.00 0.00 H +ATOM 183 HA3 GLY A 11 2.283 -3.131 3.889 1.00 0.00 H +ATOM 184 N PRO A 12 4.824 -2.520 3.787 1.00 0.00 N +ATOM 185 CA PRO A 12 6.277 -2.307 3.754 1.00 0.00 C +ATOM 186 C PRO A 12 7.081 -3.495 3.201 1.00 0.00 C +ATOM 187 O PRO A 12 8.203 -3.312 2.737 1.00 0.00 O +ATOM 188 CB PRO A 12 6.699 -2.018 5.204 1.00 0.00 C +ATOM 189 CG PRO A 12 5.406 -1.656 5.929 1.00 0.00 C +ATOM 190 CD PRO A 12 4.342 -2.429 5.160 1.00 0.00 C +ATOM 191 HA PRO A 12 6.486 -1.429 3.142 1.00 0.00 H +ATOM 192 HB2 PRO A 12 7.148 -2.886 5.646 1.00 0.00 H +ATOM 193 HB3 PRO A 12 7.420 -1.199 5.254 1.00 0.00 H +ATOM 194 HG2 PRO A 12 5.441 -1.968 6.955 1.00 0.00 H +ATOM 195 HG3 PRO A 12 5.218 -0.586 5.838 1.00 0.00 H +ATOM 196 HD2 PRO A 12 4.219 -3.410 5.578 1.00 0.00 H +ATOM 197 HD3 PRO A 12 3.387 -1.911 5.231 1.00 0.00 H +ATOM 198 N SER A 13 6.509 -4.707 3.214 1.00 0.00 N +ATOM 199 CA SER A 13 7.159 -5.950 2.773 1.00 0.00 C +ATOM 200 C SER A 13 7.030 -6.225 1.263 1.00 0.00 C +ATOM 201 O SER A 13 7.213 -7.355 0.818 1.00 0.00 O +ATOM 202 CB SER A 13 6.698 -7.124 3.649 1.00 0.00 C +ATOM 203 OG SER A 13 5.331 -7.475 3.506 1.00 0.00 O +ATOM 204 H SER A 13 5.551 -4.762 3.529 1.00 0.00 H +ATOM 205 HA SER A 13 8.229 -5.841 2.949 1.00 0.00 H +ATOM 206 HB2 SER A 13 7.291 -7.982 3.396 1.00 0.00 H +ATOM 207 HB3 SER A 13 6.899 -6.873 4.691 1.00 0.00 H +ATOM 208 HG SER A 13 4.725 -6.704 3.495 1.00 0.00 H +ATOM 209 N SER A 14 6.763 -5.177 0.472 1.00 0.00 N +ATOM 210 CA SER A 14 6.427 -5.256 -0.961 1.00 0.00 C +ATOM 211 C SER A 14 7.393 -4.454 -1.849 1.00 0.00 C +ATOM 212 O SER A 14 7.103 -4.203 -3.018 1.00 0.00 O +ATOM 213 CB SER A 14 4.966 -4.835 -1.209 1.00 0.00 C +ATOM 214 OG SER A 14 4.155 -4.935 -0.060 1.00 0.00 O +ATOM 215 H SER A 14 6.628 -4.294 0.943 1.00 0.00 H +ATOM 216 HA SER A 14 6.505 -6.297 -1.276 1.00 0.00 H +ATOM 217 HB2 SER A 14 4.957 -3.816 -1.545 1.00 0.00 H +ATOM 218 HB3 SER A 14 4.553 -5.447 -2.010 1.00 0.00 H +ATOM 219 HG SER A 14 4.335 -4.165 0.528 1.00 0.00 H +ATOM 220 N GLY A 15 8.524 -3.999 -1.288 1.00 0.00 N +ATOM 221 CA GLY A 15 9.526 -3.183 -1.983 1.00 0.00 C +ATOM 222 C GLY A 15 9.030 -1.786 -2.384 1.00 0.00 C +ATOM 223 O GLY A 15 9.571 -1.198 -3.319 1.00 0.00 O +ATOM 224 H GLY A 15 8.702 -4.280 -0.334 1.00 0.00 H +ATOM 225 HA2 GLY A 15 10.392 -3.054 -1.335 1.00 0.00 H +ATOM 226 HA3 GLY A 15 9.855 -3.702 -2.884 1.00 0.00 H +ATOM 227 N ARG A 16 7.999 -1.262 -1.701 1.00 0.00 N +ATOM 228 CA ARG A 16 7.349 0.019 -2.007 1.00 0.00 C +ATOM 229 C ARG A 16 6.893 0.760 -0.731 1.00 0.00 C +ATOM 230 O ARG A 16 6.219 0.163 0.112 1.00 0.00 O +ATOM 231 CB ARG A 16 6.178 -0.191 -2.987 1.00 0.00 C +ATOM 232 CG ARG A 16 5.135 -1.203 -2.490 1.00 0.00 C +ATOM 233 CD ARG A 16 3.984 -1.428 -3.468 1.00 0.00 C +ATOM 234 NE ARG A 16 4.422 -2.198 -4.644 1.00 0.00 N +ATOM 235 CZ ARG A 16 3.985 -2.079 -5.889 1.00 0.00 C +ATOM 236 NH1 ARG A 16 3.095 -1.174 -6.226 1.00 0.00 N +ATOM 237 NH2 ARG A 16 4.443 -2.867 -6.829 1.00 0.00 N +ATOM 238 H ARG A 16 7.637 -1.808 -0.931 1.00 0.00 H +ATOM 239 HA ARG A 16 8.087 0.627 -2.526 1.00 0.00 H +ATOM 240 HB2 ARG A 16 5.690 0.752 -3.140 1.00 0.00 H +ATOM 241 HB3 ARG A 16 6.587 -0.548 -3.935 1.00 0.00 H +ATOM 242 HG2 ARG A 16 5.627 -2.142 -2.323 1.00 0.00 H +ATOM 243 HG3 ARG A 16 4.707 -0.869 -1.550 1.00 0.00 H +ATOM 244 HD2 ARG A 16 3.202 -1.967 -2.969 1.00 0.00 H +ATOM 245 HD3 ARG A 16 3.580 -0.460 -3.754 1.00 0.00 H +ATOM 246 HE ARG A 16 4.950 -3.039 -4.447 1.00 0.00 H +ATOM 247 HH11 ARG A 16 2.699 -0.623 -5.487 1.00 0.00 H +ATOM 248 HH12 ARG A 16 2.736 -1.119 -7.160 1.00 0.00 H +ATOM 249 HH21 ARG A 16 5.052 -3.623 -6.563 1.00 0.00 H +ATOM 250 HH22 ARG A 16 4.097 -2.799 -7.766 1.00 0.00 H +ATOM 251 N PRO A 17 7.222 2.058 -0.583 1.00 0.00 N +ATOM 252 CA PRO A 17 6.818 2.862 0.570 1.00 0.00 C +ATOM 253 C PRO A 17 5.308 3.175 0.566 1.00 0.00 C +ATOM 254 O PRO A 17 4.649 2.986 -0.461 1.00 0.00 O +ATOM 255 CB PRO A 17 7.668 4.136 0.467 1.00 0.00 C +ATOM 256 CG PRO A 17 7.903 4.302 -1.030 1.00 0.00 C +ATOM 257 CD PRO A 17 7.972 2.866 -1.536 1.00 0.00 C +ATOM 258 HA PRO A 17 7.067 2.330 1.490 1.00 0.00 H +ATOM 259 HB2 PRO A 17 7.140 4.980 0.866 1.00 0.00 H +ATOM 260 HB3 PRO A 17 8.622 3.973 0.971 1.00 0.00 H +ATOM 261 HG2 PRO A 17 7.092 4.833 -1.490 1.00 0.00 H +ATOM 262 HG3 PRO A 17 8.828 4.841 -1.235 1.00 0.00 H +ATOM 263 HD2 PRO A 17 7.531 2.795 -2.511 1.00 0.00 H +ATOM 264 HD3 PRO A 17 9.009 2.530 -1.559 1.00 0.00 H +ATOM 265 N PRO A 18 4.746 3.667 1.690 1.00 0.00 N +ATOM 266 CA PRO A 18 3.331 4.024 1.786 1.00 0.00 C +ATOM 267 C PRO A 18 2.969 5.219 0.879 1.00 0.00 C +ATOM 268 O PRO A 18 3.752 6.167 0.773 1.00 0.00 O +ATOM 269 CB PRO A 18 3.081 4.342 3.265 1.00 0.00 C +ATOM 270 CG PRO A 18 4.457 4.738 3.793 1.00 0.00 C +ATOM 271 CD PRO A 18 5.409 3.874 2.971 1.00 0.00 C +ATOM 272 HA PRO A 18 2.737 3.158 1.511 1.00 0.00 H +ATOM 273 HB2 PRO A 18 2.385 5.152 3.369 1.00 0.00 H +ATOM 274 HB3 PRO A 18 2.740 3.441 3.778 1.00 0.00 H +ATOM 275 HG2 PRO A 18 4.646 5.781 3.629 1.00 0.00 H +ATOM 276 HG3 PRO A 18 4.557 4.542 4.860 1.00 0.00 H +ATOM 277 HD2 PRO A 18 6.346 4.379 2.831 1.00 0.00 H +ATOM 278 HD3 PRO A 18 5.554 2.911 3.463 1.00 0.00 H +ATOM 279 N PRO A 19 1.774 5.216 0.253 1.00 0.00 N +ATOM 280 CA PRO A 19 1.314 6.299 -0.608 1.00 0.00 C +ATOM 281 C PRO A 19 0.874 7.500 0.242 1.00 0.00 C +ATOM 282 O PRO A 19 -0.165 7.445 0.901 1.00 0.00 O +ATOM 283 CB PRO A 19 0.174 5.693 -1.433 1.00 0.00 C +ATOM 284 CG PRO A 19 -0.436 4.648 -0.498 1.00 0.00 C +ATOM 285 CD PRO A 19 0.761 4.170 0.330 1.00 0.00 C +ATOM 286 HA PRO A 19 2.114 6.607 -1.283 1.00 0.00 H +ATOM 287 HB2 PRO A 19 -0.549 6.442 -1.694 1.00 0.00 H +ATOM 288 HB3 PRO A 19 0.591 5.191 -2.307 1.00 0.00 H +ATOM 289 HG2 PRO A 19 -1.187 5.087 0.130 1.00 0.00 H +ATOM 290 HG3 PRO A 19 -0.891 3.829 -1.053 1.00 0.00 H +ATOM 291 HD2 PRO A 19 0.466 4.016 1.350 1.00 0.00 H +ATOM 292 HD3 PRO A 19 1.161 3.257 -0.105 1.00 0.00 H +ATOM 293 N SER A 20 1.692 8.561 0.244 1.00 0.00 N +ATOM 294 CA SER A 20 1.395 9.850 0.892 1.00 0.00 C +ATOM 295 C SER A 20 0.641 10.781 -0.057 1.00 0.00 C +ATOM 296 O SER A 20 1.191 11.035 -1.153 1.00 0.00 O +ATOM 297 CB SER A 20 2.675 10.542 1.362 1.00 0.00 C +ATOM 298 OG SER A 20 3.385 9.705 2.254 1.00 0.00 O +ATOM 299 OXT SER A 20 -0.453 11.237 0.341 1.00 0.00 O +ATOM 300 H SER A 20 2.495 8.530 -0.365 1.00 0.00 H +ATOM 301 HA SER A 20 0.748 9.687 1.754 1.00 0.00 H +ATOM 302 HB2 SER A 20 3.293 10.759 0.512 1.00 0.00 H +ATOM 303 HB3 SER A 20 2.412 11.474 1.867 1.00 0.00 H +ATOM 304 HG SER A 20 3.522 8.859 1.817 1.00 0.00 H +TER 305 SER A 20 +ENDMDL +MODEL 18 +ATOM 1 N ASN A 1 -4.790 8.442 0.249 1.00 0.00 N +ATOM 2 CA ASN A 1 -5.686 7.485 -0.453 1.00 0.00 C +ATOM 3 C ASN A 1 -4.849 6.300 -0.965 1.00 0.00 C +ATOM 4 O ASN A 1 -3.693 6.208 -0.570 1.00 0.00 O +ATOM 5 CB ASN A 1 -6.519 8.196 -1.544 1.00 0.00 C +ATOM 6 CG ASN A 1 -7.833 7.461 -1.812 1.00 0.00 C +ATOM 7 OD1 ASN A 1 -7.853 6.422 -2.450 1.00 0.00 O +ATOM 8 ND2 ASN A 1 -8.951 7.930 -1.294 1.00 0.00 N +ATOM 9 H1 ASN A 1 -4.244 7.939 0.938 1.00 0.00 H +ATOM 10 H2 ASN A 1 -4.142 8.858 -0.406 1.00 0.00 H +ATOM 11 H3 ASN A 1 -5.325 9.168 0.704 1.00 0.00 H +ATOM 12 HA ASN A 1 -6.383 7.080 0.282 1.00 0.00 H +ATOM 13 HB2 ASN A 1 -6.738 9.195 -1.220 1.00 0.00 H +ATOM 14 HB3 ASN A 1 -5.944 8.259 -2.469 1.00 0.00 H +ATOM 15 HD21 ASN A 1 -9.019 8.786 -0.768 1.00 0.00 H +ATOM 16 HD22 ASN A 1 -9.770 7.389 -1.524 1.00 0.00 H +ATOM 17 N LEU A 2 -5.405 5.376 -1.765 1.00 0.00 N +ATOM 18 CA LEU A 2 -4.751 4.202 -2.378 1.00 0.00 C +ATOM 19 C LEU A 2 -4.144 3.169 -1.390 1.00 0.00 C +ATOM 20 O LEU A 2 -3.662 2.112 -1.794 1.00 0.00 O +ATOM 21 CB LEU A 2 -3.724 4.701 -3.418 1.00 0.00 C +ATOM 22 CG LEU A 2 -3.530 3.738 -4.610 1.00 0.00 C +ATOM 23 CD1 LEU A 2 -4.310 4.230 -5.834 1.00 0.00 C +ATOM 24 CD2 LEU A 2 -2.051 3.617 -4.978 1.00 0.00 C +ATOM 25 H LEU A 2 -6.367 5.541 -2.065 1.00 0.00 H +ATOM 26 HA LEU A 2 -5.530 3.669 -2.924 1.00 0.00 H +ATOM 27 HB2 LEU A 2 -4.059 5.647 -3.798 1.00 0.00 H +ATOM 28 HB3 LEU A 2 -2.776 4.864 -2.910 1.00 0.00 H +ATOM 29 HG LEU A 2 -3.896 2.747 -4.351 1.00 0.00 H +ATOM 30 HD11 LEU A 2 -5.363 4.348 -5.581 1.00 0.00 H +ATOM 31 HD12 LEU A 2 -3.911 5.184 -6.179 1.00 0.00 H +ATOM 32 HD13 LEU A 2 -4.230 3.497 -6.639 1.00 0.00 H +ATOM 33 HD21 LEU A 2 -1.642 4.598 -5.223 1.00 0.00 H +ATOM 34 HD22 LEU A 2 -1.504 3.192 -4.138 1.00 0.00 H +ATOM 35 HD23 LEU A 2 -1.942 2.955 -5.838 1.00 0.00 H +ATOM 36 N TYR A 3 -4.199 3.443 -0.085 1.00 0.00 N +ATOM 37 CA TYR A 3 -3.520 2.704 0.978 1.00 0.00 C +ATOM 38 C TYR A 3 -3.955 1.233 1.067 1.00 0.00 C +ATOM 39 O TYR A 3 -3.129 0.359 1.321 1.00 0.00 O +ATOM 40 CB TYR A 3 -3.753 3.449 2.303 1.00 0.00 C +ATOM 41 CG TYR A 3 -2.583 3.372 3.262 1.00 0.00 C +ATOM 42 CD1 TYR A 3 -2.356 2.199 4.004 1.00 0.00 C +ATOM 43 CD2 TYR A 3 -1.718 4.476 3.408 1.00 0.00 C +ATOM 44 CE1 TYR A 3 -1.265 2.121 4.888 1.00 0.00 C +ATOM 45 CE2 TYR A 3 -0.634 4.408 4.303 1.00 0.00 C +ATOM 46 CZ TYR A 3 -0.399 3.225 5.036 1.00 0.00 C +ATOM 47 OH TYR A 3 0.654 3.151 5.892 1.00 0.00 O +ATOM 48 H TYR A 3 -4.531 4.367 0.144 1.00 0.00 H +ATOM 49 HA TYR A 3 -2.450 2.720 0.763 1.00 0.00 H +ATOM 50 HB2 TYR A 3 -3.942 4.482 2.082 1.00 0.00 H +ATOM 51 HB3 TYR A 3 -4.647 3.061 2.792 1.00 0.00 H +ATOM 52 HD1 TYR A 3 -3.021 1.359 3.886 1.00 0.00 H +ATOM 53 HD2 TYR A 3 -1.875 5.381 2.835 1.00 0.00 H +ATOM 54 HE1 TYR A 3 -1.080 1.223 5.456 1.00 0.00 H +ATOM 55 HE2 TYR A 3 0.025 5.255 4.425 1.00 0.00 H +ATOM 56 HH TYR A 3 0.402 3.418 6.779 1.00 0.00 H +ATOM 57 N ILE A 4 -5.239 0.944 0.809 1.00 0.00 N +ATOM 58 CA ILE A 4 -5.793 -0.418 0.803 1.00 0.00 C +ATOM 59 C ILE A 4 -5.137 -1.278 -0.294 1.00 0.00 C +ATOM 60 O ILE A 4 -4.777 -2.429 -0.051 1.00 0.00 O +ATOM 61 CB ILE A 4 -7.337 -0.377 0.654 1.00 0.00 C +ATOM 62 CG1 ILE A 4 -8.002 0.564 1.695 1.00 0.00 C +ATOM 63 CG2 ILE A 4 -7.933 -1.789 0.786 1.00 0.00 C +ATOM 64 CD1 ILE A 4 -8.600 1.821 1.047 1.00 0.00 C +ATOM 65 H ILE A 4 -5.855 1.722 0.628 1.00 0.00 H +ATOM 66 HA ILE A 4 -5.561 -0.884 1.762 1.00 0.00 H +ATOM 67 HB ILE A 4 -7.578 -0.019 -0.348 1.00 0.00 H +ATOM 68 HG12 ILE A 4 -8.786 0.027 2.194 1.00 0.00 H +ATOM 69 HG13 ILE A 4 -7.278 0.868 2.451 1.00 0.00 H +ATOM 70 HG21 ILE A 4 -7.587 -2.427 -0.028 1.00 0.00 H +ATOM 71 HG22 ILE A 4 -7.641 -2.235 1.738 1.00 0.00 H +ATOM 72 HG23 ILE A 4 -9.023 -1.740 0.735 1.00 0.00 H +ATOM 73 HD11 ILE A 4 -7.889 2.268 0.350 1.00 0.00 H +ATOM 74 HD12 ILE A 4 -9.514 1.556 0.511 1.00 0.00 H +ATOM 75 HD13 ILE A 4 -8.845 2.548 1.821 1.00 0.00 H +ATOM 76 N GLN A 5 -4.930 -0.702 -1.487 1.00 0.00 N +ATOM 77 CA GLN A 5 -4.240 -1.358 -2.602 1.00 0.00 C +ATOM 78 C GLN A 5 -2.757 -1.594 -2.286 1.00 0.00 C +ATOM 79 O GLN A 5 -2.238 -2.664 -2.596 1.00 0.00 O +ATOM 80 CB GLN A 5 -4.402 -0.514 -3.877 1.00 0.00 C +ATOM 81 CG GLN A 5 -5.825 -0.583 -4.457 1.00 0.00 C +ATOM 82 CD GLN A 5 -6.299 0.780 -4.949 1.00 0.00 C +ATOM 83 OE1 GLN A 5 -5.987 1.219 -6.043 1.00 0.00 O +ATOM 84 NE2 GLN A 5 -7.068 1.504 -4.156 1.00 0.00 N +ATOM 85 H GLN A 5 -5.142 0.280 -1.577 1.00 0.00 H +ATOM 86 HA GLN A 5 -4.690 -2.336 -2.774 1.00 0.00 H +ATOM 87 HB2 GLN A 5 -4.176 0.508 -3.643 1.00 0.00 H +ATOM 88 HB3 GLN A 5 -3.702 -0.864 -4.637 1.00 0.00 H +ATOM 89 HG2 GLN A 5 -5.832 -1.272 -5.280 1.00 0.00 H +ATOM 90 HG3 GLN A 5 -6.527 -0.953 -3.709 1.00 0.00 H +ATOM 91 HE21 GLN A 5 -7.405 1.166 -3.274 1.00 0.00 H +ATOM 92 HE22 GLN A 5 -7.384 2.362 -4.578 1.00 0.00 H +ATOM 93 N TRP A 6 -2.087 -0.635 -1.631 1.00 0.00 N +ATOM 94 CA TRP A 6 -0.718 -0.822 -1.137 1.00 0.00 C +ATOM 95 C TRP A 6 -0.625 -1.935 -0.078 1.00 0.00 C +ATOM 96 O TRP A 6 0.234 -2.811 -0.181 1.00 0.00 O +ATOM 97 CB TRP A 6 -0.169 0.510 -0.615 1.00 0.00 C +ATOM 98 CG TRP A 6 1.231 0.448 -0.086 1.00 0.00 C +ATOM 99 CD1 TRP A 6 2.357 0.390 -0.836 1.00 0.00 C +ATOM 100 CD2 TRP A 6 1.678 0.412 1.305 1.00 0.00 C +ATOM 101 NE1 TRP A 6 3.461 0.324 -0.009 1.00 0.00 N +ATOM 102 CE2 TRP A 6 3.102 0.345 1.317 1.00 0.00 C +ATOM 103 CE3 TRP A 6 1.032 0.434 2.562 1.00 0.00 C +ATOM 104 CZ2 TRP A 6 3.852 0.322 2.500 1.00 0.00 C +ATOM 105 CZ3 TRP A 6 1.773 0.390 3.759 1.00 0.00 C +ATOM 106 CH2 TRP A 6 3.179 0.343 3.732 1.00 0.00 C +ATOM 107 H TRP A 6 -2.569 0.238 -1.442 1.00 0.00 H +ATOM 108 HA TRP A 6 -0.091 -1.137 -1.973 1.00 0.00 H +ATOM 109 HB2 TRP A 6 -0.191 1.219 -1.420 1.00 0.00 H +ATOM 110 HB3 TRP A 6 -0.817 0.881 0.178 1.00 0.00 H +ATOM 111 HD1 TRP A 6 2.382 0.389 -1.919 1.00 0.00 H +ATOM 112 HE1 TRP A 6 4.439 0.289 -0.304 1.00 0.00 H +ATOM 113 HE3 TRP A 6 -0.045 0.494 2.594 1.00 0.00 H +ATOM 114 HZ2 TRP A 6 4.931 0.270 2.447 1.00 0.00 H +ATOM 115 HZ3 TRP A 6 1.262 0.416 4.711 1.00 0.00 H +ATOM 116 HH2 TRP A 6 3.741 0.324 4.655 1.00 0.00 H +ATOM 117 N LEU A 7 -1.535 -1.954 0.908 1.00 0.00 N +ATOM 118 CA LEU A 7 -1.599 -3.028 1.905 1.00 0.00 C +ATOM 119 C LEU A 7 -1.859 -4.404 1.277 1.00 0.00 C +ATOM 120 O LEU A 7 -1.246 -5.374 1.719 1.00 0.00 O +ATOM 121 CB LEU A 7 -2.653 -2.718 2.982 1.00 0.00 C +ATOM 122 CG LEU A 7 -2.238 -1.612 3.971 1.00 0.00 C +ATOM 123 CD1 LEU A 7 -3.451 -1.213 4.816 1.00 0.00 C +ATOM 124 CD2 LEU A 7 -1.124 -2.058 4.928 1.00 0.00 C +ATOM 125 H LEU A 7 -2.199 -1.184 0.968 1.00 0.00 H +ATOM 126 HA LEU A 7 -0.619 -3.101 2.378 1.00 0.00 H +ATOM 127 HB2 LEU A 7 -3.556 -2.409 2.491 1.00 0.00 H +ATOM 128 HB3 LEU A 7 -2.850 -3.627 3.553 1.00 0.00 H +ATOM 129 HG LEU A 7 -1.894 -0.741 3.419 1.00 0.00 H +ATOM 130 HD11 LEU A 7 -4.238 -0.826 4.169 1.00 0.00 H +ATOM 131 HD12 LEU A 7 -3.830 -2.080 5.360 1.00 0.00 H +ATOM 132 HD13 LEU A 7 -3.169 -0.442 5.533 1.00 0.00 H +ATOM 133 HD21 LEU A 7 -1.484 -2.855 5.579 1.00 0.00 H +ATOM 134 HD22 LEU A 7 -0.258 -2.415 4.373 1.00 0.00 H +ATOM 135 HD23 LEU A 7 -0.808 -1.215 5.538 1.00 0.00 H +ATOM 136 N LYS A 8 -2.699 -4.500 0.231 1.00 0.00 N +ATOM 137 CA LYS A 8 -2.961 -5.760 -0.490 1.00 0.00 C +ATOM 138 C LYS A 8 -1.682 -6.440 -0.992 1.00 0.00 C +ATOM 139 O LYS A 8 -1.618 -7.666 -1.015 1.00 0.00 O +ATOM 140 CB LYS A 8 -3.959 -5.521 -1.641 1.00 0.00 C +ATOM 141 CG LYS A 8 -4.419 -6.827 -2.322 1.00 0.00 C +ATOM 142 CD LYS A 8 -3.630 -7.226 -3.585 1.00 0.00 C +ATOM 143 CE LYS A 8 -4.103 -6.440 -4.814 1.00 0.00 C +ATOM 144 NZ LYS A 8 -3.568 -7.025 -6.066 1.00 0.00 N +ATOM 145 H LYS A 8 -3.215 -3.664 -0.036 1.00 0.00 H +ATOM 146 HA LYS A 8 -3.413 -6.457 0.217 1.00 0.00 H +ATOM 147 HB2 LYS A 8 -4.821 -5.019 -1.247 1.00 0.00 H +ATOM 148 HB3 LYS A 8 -3.524 -4.853 -2.384 1.00 0.00 H +ATOM 149 HG2 LYS A 8 -4.327 -7.623 -1.608 1.00 0.00 H +ATOM 150 HG3 LYS A 8 -5.470 -6.727 -2.593 1.00 0.00 H +ATOM 151 HD2 LYS A 8 -2.588 -7.026 -3.423 1.00 0.00 H +ATOM 152 HD3 LYS A 8 -3.798 -8.290 -3.759 1.00 0.00 H +ATOM 153 HE2 LYS A 8 -5.175 -6.459 -4.850 1.00 0.00 H +ATOM 154 HE3 LYS A 8 -3.782 -5.399 -4.713 1.00 0.00 H +ATOM 155 HZ1 LYS A 8 -2.555 -6.986 -6.067 1.00 0.00 H +ATOM 156 HZ2 LYS A 8 -3.851 -7.992 -6.145 1.00 0.00 H +ATOM 157 HZ3 LYS A 8 -3.914 -6.519 -6.870 1.00 0.00 H +ATOM 158 N ASP A 9 -0.674 -5.659 -1.382 1.00 0.00 N +ATOM 159 CA ASP A 9 0.615 -6.165 -1.853 1.00 0.00 C +ATOM 160 C ASP A 9 1.571 -6.567 -0.705 1.00 0.00 C +ATOM 161 O ASP A 9 2.686 -7.014 -0.969 1.00 0.00 O +ATOM 162 CB ASP A 9 1.231 -5.098 -2.777 1.00 0.00 C +ATOM 163 CG ASP A 9 2.189 -5.711 -3.799 1.00 0.00 C +ATOM 164 OD1 ASP A 9 1.663 -6.222 -4.813 1.00 0.00 O +ATOM 165 OD2 ASP A 9 3.416 -5.646 -3.568 1.00 0.00 O +ATOM 166 H ASP A 9 -0.796 -4.654 -1.332 1.00 0.00 H +ATOM 167 HA ASP A 9 0.438 -7.059 -2.454 1.00 0.00 H +ATOM 168 HB2 ASP A 9 0.441 -4.595 -3.301 1.00 0.00 H +ATOM 169 HB3 ASP A 9 1.736 -4.335 -2.183 1.00 0.00 H +ATOM 170 N GLY A 10 1.188 -6.375 0.570 1.00 0.00 N +ATOM 171 CA GLY A 10 2.022 -6.675 1.745 1.00 0.00 C +ATOM 172 C GLY A 10 2.601 -5.455 2.475 1.00 0.00 C +ATOM 173 O GLY A 10 3.441 -5.624 3.363 1.00 0.00 O +ATOM 174 H GLY A 10 0.253 -6.015 0.741 1.00 0.00 H +ATOM 175 HA2 GLY A 10 1.412 -7.227 2.460 1.00 0.00 H +ATOM 176 HA3 GLY A 10 2.853 -7.319 1.458 1.00 0.00 H +ATOM 177 N GLY A 11 2.171 -4.233 2.128 1.00 0.00 N +ATOM 178 CA GLY A 11 2.595 -2.981 2.757 1.00 0.00 C +ATOM 179 C GLY A 11 4.126 -2.821 2.820 1.00 0.00 C +ATOM 180 O GLY A 11 4.764 -2.728 1.772 1.00 0.00 O +ATOM 181 H GLY A 11 1.579 -4.166 1.309 1.00 0.00 H +ATOM 182 HA2 GLY A 11 2.194 -2.157 2.171 1.00 0.00 H +ATOM 183 HA3 GLY A 11 2.155 -2.927 3.750 1.00 0.00 H +ATOM 184 N PRO A 12 4.762 -2.798 4.014 1.00 0.00 N +ATOM 185 CA PRO A 12 6.222 -2.711 4.128 1.00 0.00 C +ATOM 186 C PRO A 12 6.985 -3.820 3.384 1.00 0.00 C +ATOM 187 O PRO A 12 8.141 -3.624 3.019 1.00 0.00 O +ATOM 188 CB PRO A 12 6.536 -2.771 5.628 1.00 0.00 C +ATOM 189 CG PRO A 12 5.232 -2.347 6.300 1.00 0.00 C +ATOM 190 CD PRO A 12 4.159 -2.854 5.339 1.00 0.00 C +ATOM 191 HA PRO A 12 6.541 -1.745 3.735 1.00 0.00 H +ATOM 192 HB2 PRO A 12 6.809 -3.767 5.920 1.00 0.00 H +ATOM 193 HB3 PRO A 12 7.357 -2.104 5.890 1.00 0.00 H +ATOM 194 HG2 PRO A 12 5.131 -2.805 7.265 1.00 0.00 H +ATOM 195 HG3 PRO A 12 5.189 -1.259 6.357 1.00 0.00 H +ATOM 196 HD2 PRO A 12 3.884 -3.862 5.583 1.00 0.00 H +ATOM 197 HD3 PRO A 12 3.274 -2.223 5.414 1.00 0.00 H +ATOM 198 N SER A 13 6.349 -4.977 3.147 1.00 0.00 N +ATOM 199 CA SER A 13 6.954 -6.124 2.463 1.00 0.00 C +ATOM 200 C SER A 13 6.833 -6.062 0.928 1.00 0.00 C +ATOM 201 O SER A 13 7.261 -6.986 0.242 1.00 0.00 O +ATOM 202 CB SER A 13 6.368 -7.420 3.048 1.00 0.00 C +ATOM 203 OG SER A 13 7.404 -8.335 3.350 1.00 0.00 O +ATOM 204 H SER A 13 5.372 -5.058 3.425 1.00 0.00 H +ATOM 205 HA SER A 13 8.023 -6.116 2.682 1.00 0.00 H +ATOM 206 HB2 SER A 13 5.826 -7.190 3.945 1.00 0.00 H +ATOM 207 HB3 SER A 13 5.665 -7.873 2.347 1.00 0.00 H +ATOM 208 HG SER A 13 7.993 -7.938 3.997 1.00 0.00 H +ATOM 209 N SER A 14 6.285 -4.971 0.375 1.00 0.00 N +ATOM 210 CA SER A 14 5.996 -4.784 -1.057 1.00 0.00 C +ATOM 211 C SER A 14 7.108 -4.082 -1.850 1.00 0.00 C +ATOM 212 O SER A 14 6.920 -3.757 -3.019 1.00 0.00 O +ATOM 213 CB SER A 14 4.711 -3.968 -1.193 1.00 0.00 C +ATOM 214 OG SER A 14 3.682 -4.612 -0.483 1.00 0.00 O +ATOM 215 H SER A 14 5.894 -4.268 0.998 1.00 0.00 H +ATOM 216 HA SER A 14 5.825 -5.757 -1.521 1.00 0.00 H +ATOM 217 HB2 SER A 14 4.865 -2.985 -0.791 1.00 0.00 H +ATOM 218 HB3 SER A 14 4.431 -3.871 -2.241 1.00 0.00 H +ATOM 219 HG SER A 14 3.520 -5.494 -0.884 1.00 0.00 H +ATOM 220 N GLY A 15 8.256 -3.783 -1.226 1.00 0.00 N +ATOM 221 CA GLY A 15 9.384 -3.115 -1.892 1.00 0.00 C +ATOM 222 C GLY A 15 9.136 -1.644 -2.261 1.00 0.00 C +ATOM 223 O GLY A 15 9.906 -1.080 -3.037 1.00 0.00 O +ATOM 224 H GLY A 15 8.354 -4.097 -0.270 1.00 0.00 H +ATOM 225 HA2 GLY A 15 10.260 -3.161 -1.246 1.00 0.00 H +ATOM 226 HA3 GLY A 15 9.616 -3.654 -2.812 1.00 0.00 H +ATOM 227 N ARG A 16 8.071 -1.022 -1.733 1.00 0.00 N +ATOM 228 CA ARG A 16 7.620 0.333 -2.073 1.00 0.00 C +ATOM 229 C ARG A 16 7.039 1.042 -0.836 1.00 0.00 C +ATOM 230 O ARG A 16 6.265 0.407 -0.118 1.00 0.00 O +ATOM 231 CB ARG A 16 6.558 0.205 -3.182 1.00 0.00 C +ATOM 232 CG ARG A 16 6.146 1.562 -3.766 1.00 0.00 C +ATOM 233 CD ARG A 16 5.085 1.404 -4.861 1.00 0.00 C +ATOM 234 NE ARG A 16 5.279 2.408 -5.922 1.00 0.00 N +ATOM 235 CZ ARG A 16 4.427 2.749 -6.879 1.00 0.00 C +ATOM 236 NH1 ARG A 16 3.214 2.253 -6.941 1.00 0.00 N +ATOM 237 NH2 ARG A 16 4.794 3.604 -7.805 1.00 0.00 N +ATOM 238 H ARG A 16 7.498 -1.558 -1.093 1.00 0.00 H +ATOM 239 HA ARG A 16 8.474 0.889 -2.457 1.00 0.00 H +ATOM 240 HB2 ARG A 16 6.958 -0.402 -3.972 1.00 0.00 H +ATOM 241 HB3 ARG A 16 5.678 -0.308 -2.787 1.00 0.00 H +ATOM 242 HG2 ARG A 16 5.747 2.173 -2.980 1.00 0.00 H +ATOM 243 HG3 ARG A 16 7.035 2.033 -4.183 1.00 0.00 H +ATOM 244 HD2 ARG A 16 5.162 0.422 -5.287 1.00 0.00 H +ATOM 245 HD3 ARG A 16 4.099 1.511 -4.406 1.00 0.00 H +ATOM 246 HE ARG A 16 6.183 2.845 -5.952 1.00 0.00 H +ATOM 247 HH11 ARG A 16 2.943 1.589 -6.236 1.00 0.00 H +ATOM 248 HH12 ARG A 16 2.578 2.515 -7.670 1.00 0.00 H +ATOM 249 HH21 ARG A 16 5.722 3.990 -7.801 1.00 0.00 H +ATOM 250 HH22 ARG A 16 4.153 3.860 -8.532 1.00 0.00 H +ATOM 251 N PRO A 17 7.339 2.336 -0.597 1.00 0.00 N +ATOM 252 CA PRO A 17 6.761 3.096 0.517 1.00 0.00 C +ATOM 253 C PRO A 17 5.236 3.291 0.376 1.00 0.00 C +ATOM 254 O PRO A 17 4.700 3.157 -0.728 1.00 0.00 O +ATOM 255 CB PRO A 17 7.502 4.441 0.515 1.00 0.00 C +ATOM 256 CG PRO A 17 7.925 4.615 -0.941 1.00 0.00 C +ATOM 257 CD PRO A 17 8.240 3.185 -1.367 1.00 0.00 C +ATOM 258 HA PRO A 17 6.966 2.571 1.450 1.00 0.00 H +ATOM 259 HB2 PRO A 17 6.852 5.237 0.823 1.00 0.00 H +ATOM 260 HB3 PRO A 17 8.390 4.367 1.144 1.00 0.00 H +ATOM 261 HG2 PRO A 17 7.129 5.028 -1.529 1.00 0.00 H +ATOM 262 HG3 PRO A 17 8.791 5.270 -1.039 1.00 0.00 H +ATOM 263 HD2 PRO A 17 8.064 3.060 -2.418 1.00 0.00 H +ATOM 264 HD3 PRO A 17 9.272 2.943 -1.108 1.00 0.00 H +ATOM 265 N PRO A 18 4.530 3.634 1.472 1.00 0.00 N +ATOM 266 CA PRO A 18 3.086 3.848 1.449 1.00 0.00 C +ATOM 267 C PRO A 18 2.698 5.104 0.650 1.00 0.00 C +ATOM 268 O PRO A 18 3.420 6.101 0.687 1.00 0.00 O +ATOM 269 CB PRO A 18 2.662 3.983 2.913 1.00 0.00 C +ATOM 270 CG PRO A 18 3.925 4.461 3.623 1.00 0.00 C +ATOM 271 CD PRO A 18 5.046 3.799 2.825 1.00 0.00 C +ATOM 272 HA PRO A 18 2.610 2.974 1.015 1.00 0.00 H +ATOM 273 HB2 PRO A 18 1.872 4.701 3.016 1.00 0.00 H +ATOM 274 HB3 PRO A 18 2.373 3.010 3.303 1.00 0.00 H +ATOM 275 HG2 PRO A 18 4.006 5.530 3.586 1.00 0.00 H +ATOM 276 HG3 PRO A 18 3.940 4.157 4.670 1.00 0.00 H +ATOM 277 HD2 PRO A 18 5.918 4.424 2.818 1.00 0.00 H +ATOM 278 HD3 PRO A 18 5.270 2.821 3.248 1.00 0.00 H +ATOM 279 N PRO A 19 1.537 5.098 -0.033 1.00 0.00 N +ATOM 280 CA PRO A 19 1.010 6.280 -0.696 1.00 0.00 C +ATOM 281 C PRO A 19 0.436 7.257 0.342 1.00 0.00 C +ATOM 282 O PRO A 19 -0.227 6.870 1.309 1.00 0.00 O +ATOM 283 CB PRO A 19 -0.043 5.743 -1.671 1.00 0.00 C +ATOM 284 CG PRO A 19 -0.579 4.494 -0.969 1.00 0.00 C +ATOM 285 CD PRO A 19 0.631 3.970 -0.196 1.00 0.00 C +ATOM 286 HA PRO A 19 1.802 6.778 -1.258 1.00 0.00 H +ATOM 287 HB2 PRO A 19 -0.825 6.462 -1.825 1.00 0.00 H +ATOM 288 HB3 PRO A 19 0.453 5.447 -2.598 1.00 0.00 H +ATOM 289 HG2 PRO A 19 -1.381 4.744 -0.302 1.00 0.00 H +ATOM 290 HG3 PRO A 19 -0.944 3.756 -1.684 1.00 0.00 H +ATOM 291 HD2 PRO A 19 0.326 3.598 0.763 1.00 0.00 H +ATOM 292 HD3 PRO A 19 1.130 3.194 -0.777 1.00 0.00 H +ATOM 293 N SER A 20 0.706 8.552 0.169 1.00 0.00 N +ATOM 294 CA SER A 20 0.162 9.640 0.988 1.00 0.00 C +ATOM 295 C SER A 20 -0.066 10.872 0.126 1.00 0.00 C +ATOM 296 O SER A 20 0.918 11.303 -0.513 1.00 0.00 O +ATOM 297 CB SER A 20 1.092 9.931 2.166 1.00 0.00 C +ATOM 298 OG SER A 20 1.001 8.805 3.014 1.00 0.00 O +ATOM 299 OXT SER A 20 -1.239 11.304 0.086 1.00 0.00 O +ATOM 300 H SER A 20 1.318 8.846 -0.582 1.00 0.00 H +ATOM 301 HA SER A 20 -0.816 9.367 1.381 1.00 0.00 H +ATOM 302 HB2 SER A 20 2.100 10.060 1.823 1.00 0.00 H +ATOM 303 HB3 SER A 20 0.767 10.828 2.696 1.00 0.00 H +ATOM 304 HG SER A 20 0.609 8.093 2.479 1.00 0.00 H +TER 305 SER A 20 +ENDMDL +MODEL 19 +ATOM 1 N ASN A 1 -4.711 8.428 -0.250 1.00 0.00 N +ATOM 2 CA ASN A 1 -5.482 7.459 -1.069 1.00 0.00 C +ATOM 3 C ASN A 1 -4.637 6.216 -1.384 1.00 0.00 C +ATOM 4 O ASN A 1 -3.508 6.151 -0.914 1.00 0.00 O +ATOM 5 CB ASN A 1 -6.058 8.123 -2.332 1.00 0.00 C +ATOM 6 CG ASN A 1 -7.308 7.368 -2.763 1.00 0.00 C +ATOM 7 OD1 ASN A 1 -8.229 7.219 -1.982 1.00 0.00 O +ATOM 8 ND2 ASN A 1 -7.347 6.788 -3.948 1.00 0.00 N +ATOM 9 H1 ASN A 1 -4.276 7.945 0.525 1.00 0.00 H +ATOM 10 H2 ASN A 1 -3.969 8.859 -0.792 1.00 0.00 H +ATOM 11 H3 ASN A 1 -5.313 9.159 0.105 1.00 0.00 H +ATOM 12 HA ASN A 1 -6.326 7.121 -0.463 1.00 0.00 H +ATOM 13 HB2 ASN A 1 -6.310 9.144 -2.119 1.00 0.00 H +ATOM 14 HB3 ASN A 1 -5.314 8.139 -3.131 1.00 0.00 H +ATOM 15 HD21 ASN A 1 -6.635 6.892 -4.653 1.00 0.00 H +ATOM 16 HD22 ASN A 1 -8.230 6.344 -4.151 1.00 0.00 H +ATOM 17 N LEU A 2 -5.165 5.225 -2.127 1.00 0.00 N +ATOM 18 CA LEU A 2 -4.498 3.973 -2.561 1.00 0.00 C +ATOM 19 C LEU A 2 -3.959 3.039 -1.451 1.00 0.00 C +ATOM 20 O LEU A 2 -3.474 1.944 -1.745 1.00 0.00 O +ATOM 21 CB LEU A 2 -3.435 4.298 -3.639 1.00 0.00 C +ATOM 22 CG LEU A 2 -4.002 4.275 -5.079 1.00 0.00 C +ATOM 23 CD1 LEU A 2 -3.796 5.613 -5.794 1.00 0.00 C +ATOM 24 CD2 LEU A 2 -3.342 3.164 -5.900 1.00 0.00 C +ATOM 25 H LEU A 2 -6.111 5.349 -2.465 1.00 0.00 H +ATOM 26 HA LEU A 2 -5.264 3.362 -3.041 1.00 0.00 H +ATOM 27 HB2 LEU A 2 -3.039 5.276 -3.444 1.00 0.00 H +ATOM 28 HB3 LEU A 2 -2.623 3.573 -3.570 1.00 0.00 H +ATOM 29 HG LEU A 2 -5.074 4.082 -5.054 1.00 0.00 H +ATOM 30 HD11 LEU A 2 -4.302 6.407 -5.250 1.00 0.00 H +ATOM 31 HD12 LEU A 2 -2.731 5.843 -5.862 1.00 0.00 H +ATOM 32 HD13 LEU A 2 -4.209 5.556 -6.802 1.00 0.00 H +ATOM 33 HD21 LEU A 2 -2.271 3.350 -5.990 1.00 0.00 H +ATOM 34 HD22 LEU A 2 -3.499 2.202 -5.413 1.00 0.00 H +ATOM 35 HD23 LEU A 2 -3.782 3.126 -6.897 1.00 0.00 H +ATOM 36 N TYR A 3 -4.101 3.418 -0.179 1.00 0.00 N +ATOM 37 CA TYR A 3 -3.547 2.721 0.982 1.00 0.00 C +ATOM 38 C TYR A 3 -4.035 1.268 1.120 1.00 0.00 C +ATOM 39 O TYR A 3 -3.246 0.381 1.446 1.00 0.00 O +ATOM 40 CB TYR A 3 -3.866 3.547 2.234 1.00 0.00 C +ATOM 41 CG TYR A 3 -2.864 3.337 3.348 1.00 0.00 C +ATOM 42 CD1 TYR A 3 -1.722 4.158 3.414 1.00 0.00 C +ATOM 43 CD2 TYR A 3 -3.059 2.315 4.297 1.00 0.00 C +ATOM 44 CE1 TYR A 3 -0.764 3.952 4.424 1.00 0.00 C +ATOM 45 CE2 TYR A 3 -2.106 2.111 5.311 1.00 0.00 C +ATOM 46 CZ TYR A 3 -0.953 2.921 5.370 1.00 0.00 C +ATOM 47 OH TYR A 3 -0.015 2.685 6.326 1.00 0.00 O +ATOM 48 H TYR A 3 -4.435 4.356 -0.036 1.00 0.00 H +ATOM 49 HA TYR A 3 -2.464 2.693 0.862 1.00 0.00 H +ATOM 50 HB2 TYR A 3 -3.869 4.586 1.967 1.00 0.00 H +ATOM 51 HB3 TYR A 3 -4.870 3.311 2.589 1.00 0.00 H +ATOM 52 HD1 TYR A 3 -1.570 4.949 2.689 1.00 0.00 H +ATOM 53 HD2 TYR A 3 -3.934 1.680 4.247 1.00 0.00 H +ATOM 54 HE1 TYR A 3 0.103 4.591 4.475 1.00 0.00 H +ATOM 55 HE2 TYR A 3 -2.233 1.337 6.051 1.00 0.00 H +ATOM 56 HH TYR A 3 0.804 3.144 6.139 1.00 0.00 H +ATOM 57 N ILE A 4 -5.316 1.007 0.820 1.00 0.00 N +ATOM 58 CA ILE A 4 -5.898 -0.342 0.812 1.00 0.00 C +ATOM 59 C ILE A 4 -5.161 -1.235 -0.200 1.00 0.00 C +ATOM 60 O ILE A 4 -4.707 -2.324 0.147 1.00 0.00 O +ATOM 61 CB ILE A 4 -7.424 -0.311 0.536 1.00 0.00 C +ATOM 62 CG1 ILE A 4 -8.202 0.658 1.464 1.00 0.00 C +ATOM 63 CG2 ILE A 4 -8.008 -1.726 0.703 1.00 0.00 C +ATOM 64 CD1 ILE A 4 -8.481 2.022 0.816 1.00 0.00 C +ATOM 65 H ILE A 4 -5.901 1.792 0.575 1.00 0.00 H +ATOM 66 HA ILE A 4 -5.743 -0.778 1.800 1.00 0.00 H +ATOM 67 HB ILE A 4 -7.593 -0.010 -0.501 1.00 0.00 H +ATOM 68 HG12 ILE A 4 -9.140 0.204 1.722 1.00 0.00 H +ATOM 69 HG13 ILE A 4 -7.659 0.801 2.399 1.00 0.00 H +ATOM 70 HG21 ILE A 4 -7.552 -2.414 -0.005 1.00 0.00 H +ATOM 71 HG22 ILE A 4 -7.831 -2.089 1.719 1.00 0.00 H +ATOM 72 HG23 ILE A 4 -9.082 -1.713 0.513 1.00 0.00 H +ATOM 73 HD11 ILE A 4 -7.555 2.566 0.645 1.00 0.00 H +ATOM 74 HD12 ILE A 4 -9.003 1.881 -0.131 1.00 0.00 H +ATOM 75 HD13 ILE A 4 -9.118 2.609 1.477 1.00 0.00 H +ATOM 76 N GLN A 5 -5.005 -0.767 -1.445 1.00 0.00 N +ATOM 77 CA GLN A 5 -4.266 -1.471 -2.496 1.00 0.00 C +ATOM 78 C GLN A 5 -2.794 -1.703 -2.131 1.00 0.00 C +ATOM 79 O GLN A 5 -2.290 -2.798 -2.375 1.00 0.00 O +ATOM 80 CB GLN A 5 -4.404 -0.714 -3.831 1.00 0.00 C +ATOM 81 CG GLN A 5 -5.577 -1.242 -4.674 1.00 0.00 C +ATOM 82 CD GLN A 5 -5.172 -2.342 -5.657 1.00 0.00 C +ATOM 83 OE1 GLN A 5 -5.444 -2.266 -6.841 1.00 0.00 O +ATOM 84 NE2 GLN A 5 -4.511 -3.407 -5.235 1.00 0.00 N +ATOM 85 H GLN A 5 -5.339 0.164 -1.640 1.00 0.00 H +ATOM 86 HA GLN A 5 -4.705 -2.459 -2.606 1.00 0.00 H +ATOM 87 HB2 GLN A 5 -4.567 0.326 -3.624 1.00 0.00 H +ATOM 88 HB3 GLN A 5 -3.485 -0.802 -4.412 1.00 0.00 H +ATOM 89 HG2 GLN A 5 -6.322 -1.636 -4.010 1.00 0.00 H +ATOM 90 HG3 GLN A 5 -5.980 -0.410 -5.253 1.00 0.00 H +ATOM 91 HE21 GLN A 5 -4.079 -3.463 -4.327 1.00 0.00 H +ATOM 92 HE22 GLN A 5 -4.196 -3.952 -6.023 1.00 0.00 H +ATOM 93 N TRP A 6 -2.131 -0.715 -1.517 1.00 0.00 N +ATOM 94 CA TRP A 6 -0.771 -0.866 -0.989 1.00 0.00 C +ATOM 95 C TRP A 6 -0.676 -1.954 0.096 1.00 0.00 C +ATOM 96 O TRP A 6 0.217 -2.804 0.034 1.00 0.00 O +ATOM 97 CB TRP A 6 -0.278 0.492 -0.481 1.00 0.00 C +ATOM 98 CG TRP A 6 1.076 0.483 0.156 1.00 0.00 C +ATOM 99 CD1 TRP A 6 2.258 0.449 -0.500 1.00 0.00 C +ATOM 100 CD2 TRP A 6 1.409 0.516 1.577 1.00 0.00 C +ATOM 101 NE1 TRP A 6 3.295 0.438 0.415 1.00 0.00 N +ATOM 102 CE2 TRP A 6 2.830 0.499 1.706 1.00 0.00 C +ATOM 103 CE3 TRP A 6 0.660 0.554 2.771 1.00 0.00 C +ATOM 104 CZ2 TRP A 6 3.479 0.537 2.947 1.00 0.00 C +ATOM 105 CZ3 TRP A 6 1.299 0.565 4.026 1.00 0.00 C +ATOM 106 CH2 TRP A 6 2.703 0.571 4.116 1.00 0.00 C +ATOM 107 H TRP A 6 -2.609 0.176 -1.403 1.00 0.00 H +ATOM 108 HA TRP A 6 -0.117 -1.181 -1.802 1.00 0.00 H +ATOM 109 HB2 TRP A 6 -0.248 1.167 -1.315 1.00 0.00 H +ATOM 110 HB3 TRP A 6 -0.989 0.883 0.245 1.00 0.00 H +ATOM 111 HD1 TRP A 6 2.367 0.437 -1.575 1.00 0.00 H +ATOM 112 HE1 TRP A 6 4.290 0.412 0.180 1.00 0.00 H +ATOM 113 HE3 TRP A 6 -0.419 0.574 2.716 1.00 0.00 H +ATOM 114 HZ2 TRP A 6 4.558 0.526 2.988 1.00 0.00 H +ATOM 115 HZ3 TRP A 6 0.705 0.572 4.929 1.00 0.00 H +ATOM 116 HH2 TRP A 6 3.181 0.592 5.084 1.00 0.00 H +ATOM 117 N LEU A 7 -1.612 -1.982 1.056 1.00 0.00 N +ATOM 118 CA LEU A 7 -1.688 -3.061 2.044 1.00 0.00 C +ATOM 119 C LEU A 7 -1.950 -4.430 1.398 1.00 0.00 C +ATOM 120 O LEU A 7 -1.263 -5.384 1.758 1.00 0.00 O +ATOM 121 CB LEU A 7 -2.739 -2.752 3.125 1.00 0.00 C +ATOM 122 CG LEU A 7 -2.322 -1.677 4.150 1.00 0.00 C +ATOM 123 CD1 LEU A 7 -3.497 -1.435 5.104 1.00 0.00 C +ATOM 124 CD2 LEU A 7 -1.106 -2.095 4.988 1.00 0.00 C +ATOM 125 H LEU A 7 -2.302 -1.233 1.088 1.00 0.00 H +ATOM 126 HA LEU A 7 -0.712 -3.148 2.521 1.00 0.00 H +ATOM 127 HB2 LEU A 7 -3.632 -2.416 2.635 1.00 0.00 H +ATOM 128 HB3 LEU A 7 -2.947 -3.672 3.673 1.00 0.00 H +ATOM 129 HG LEU A 7 -2.094 -0.746 3.637 1.00 0.00 H +ATOM 130 HD11 LEU A 7 -4.353 -1.060 4.542 1.00 0.00 H +ATOM 131 HD12 LEU A 7 -3.770 -2.364 5.605 1.00 0.00 H +ATOM 132 HD13 LEU A 7 -3.222 -0.700 5.856 1.00 0.00 H +ATOM 133 HD21 LEU A 7 -1.285 -3.061 5.457 1.00 0.00 H +ATOM 134 HD22 LEU A 7 -0.217 -2.154 4.362 1.00 0.00 H +ATOM 135 HD23 LEU A 7 -0.919 -1.351 5.762 1.00 0.00 H +ATOM 136 N LYS A 8 -2.879 -4.534 0.430 1.00 0.00 N +ATOM 137 CA LYS A 8 -3.176 -5.792 -0.293 1.00 0.00 C +ATOM 138 C LYS A 8 -1.940 -6.427 -0.932 1.00 0.00 C +ATOM 139 O LYS A 8 -1.861 -7.649 -0.988 1.00 0.00 O +ATOM 140 CB LYS A 8 -4.234 -5.580 -1.389 1.00 0.00 C +ATOM 141 CG LYS A 8 -5.650 -5.363 -0.841 1.00 0.00 C +ATOM 142 CD LYS A 8 -6.641 -4.855 -1.906 1.00 0.00 C +ATOM 143 CE LYS A 8 -7.271 -5.959 -2.767 1.00 0.00 C +ATOM 144 NZ LYS A 8 -6.386 -6.423 -3.863 1.00 0.00 N +ATOM 145 H LYS A 8 -3.427 -3.700 0.224 1.00 0.00 H +ATOM 146 HA LYS A 8 -3.550 -6.525 0.424 1.00 0.00 H +ATOM 147 HB2 LYS A 8 -3.957 -4.718 -1.966 1.00 0.00 H +ATOM 148 HB3 LYS A 8 -4.252 -6.467 -2.023 1.00 0.00 H +ATOM 149 HG2 LYS A 8 -6.013 -6.296 -0.455 1.00 0.00 H +ATOM 150 HG3 LYS A 8 -5.609 -4.626 -0.042 1.00 0.00 H +ATOM 151 HD2 LYS A 8 -7.431 -4.329 -1.405 1.00 0.00 H +ATOM 152 HD3 LYS A 8 -6.171 -4.105 -2.541 1.00 0.00 H +ATOM 153 HE2 LYS A 8 -7.499 -6.796 -2.135 1.00 0.00 H +ATOM 154 HE3 LYS A 8 -8.193 -5.560 -3.199 1.00 0.00 H +ATOM 155 HZ1 LYS A 8 -6.162 -5.656 -4.484 1.00 0.00 H +ATOM 156 HZ2 LYS A 8 -5.528 -6.807 -3.488 1.00 0.00 H +ATOM 157 HZ3 LYS A 8 -6.850 -7.145 -4.401 1.00 0.00 H +ATOM 158 N ASP A 9 -1.006 -5.612 -1.428 1.00 0.00 N +ATOM 159 CA ASP A 9 0.249 -6.089 -2.012 1.00 0.00 C +ATOM 160 C ASP A 9 1.195 -6.700 -0.957 1.00 0.00 C +ATOM 161 O ASP A 9 1.906 -7.655 -1.257 1.00 0.00 O +ATOM 162 CB ASP A 9 0.908 -4.913 -2.751 1.00 0.00 C +ATOM 163 CG ASP A 9 1.926 -5.376 -3.792 1.00 0.00 C +ATOM 164 OD1 ASP A 9 3.079 -5.637 -3.380 1.00 0.00 O +ATOM 165 OD2 ASP A 9 1.557 -5.417 -4.986 1.00 0.00 O +ATOM 166 H ASP A 9 -1.181 -4.614 -1.403 1.00 0.00 H +ATOM 167 HA ASP A 9 0.021 -6.868 -2.743 1.00 0.00 H +ATOM 168 HB2 ASP A 9 0.144 -4.345 -3.245 1.00 0.00 H +ATOM 169 HB3 ASP A 9 1.399 -4.255 -2.030 1.00 0.00 H +ATOM 170 N GLY A 10 1.167 -6.180 0.281 1.00 0.00 N +ATOM 171 CA GLY A 10 2.093 -6.534 1.364 1.00 0.00 C +ATOM 172 C GLY A 10 2.641 -5.339 2.162 1.00 0.00 C +ATOM 173 O GLY A 10 3.484 -5.529 3.044 1.00 0.00 O +ATOM 174 H GLY A 10 0.409 -5.539 0.486 1.00 0.00 H +ATOM 175 HA2 GLY A 10 1.576 -7.194 2.060 1.00 0.00 H +ATOM 176 HA3 GLY A 10 2.946 -7.076 0.955 1.00 0.00 H +ATOM 177 N GLY A 11 2.182 -4.110 1.882 1.00 0.00 N +ATOM 178 CA GLY A 11 2.599 -2.906 2.599 1.00 0.00 C +ATOM 179 C GLY A 11 4.124 -2.698 2.547 1.00 0.00 C +ATOM 180 O GLY A 11 4.696 -2.700 1.453 1.00 0.00 O +ATOM 181 H GLY A 11 1.532 -3.983 1.113 1.00 0.00 H +ATOM 182 HA2 GLY A 11 2.116 -2.047 2.140 1.00 0.00 H +ATOM 183 HA3 GLY A 11 2.249 -2.984 3.627 1.00 0.00 H +ATOM 184 N PRO A 12 4.822 -2.540 3.693 1.00 0.00 N +ATOM 185 CA PRO A 12 6.282 -2.419 3.719 1.00 0.00 C +ATOM 186 C PRO A 12 7.024 -3.621 3.110 1.00 0.00 C +ATOM 187 O PRO A 12 8.145 -3.463 2.631 1.00 0.00 O +ATOM 188 CB PRO A 12 6.668 -2.252 5.194 1.00 0.00 C +ATOM 189 CG PRO A 12 5.381 -1.788 5.872 1.00 0.00 C +ATOM 190 CD PRO A 12 4.292 -2.472 5.049 1.00 0.00 C +ATOM 191 HA PRO A 12 6.564 -1.518 3.171 1.00 0.00 H +ATOM 192 HB2 PRO A 12 7.000 -3.185 5.608 1.00 0.00 H +ATOM 193 HB3 PRO A 12 7.469 -1.522 5.318 1.00 0.00 H +ATOM 194 HG2 PRO A 12 5.348 -2.107 6.896 1.00 0.00 H +ATOM 195 HG3 PRO A 12 5.287 -0.705 5.777 1.00 0.00 H +ATOM 196 HD2 PRO A 12 4.098 -3.457 5.427 1.00 0.00 H +ATOM 197 HD3 PRO A 12 3.371 -1.895 5.104 1.00 0.00 H +ATOM 198 N SER A 13 6.411 -4.816 3.098 1.00 0.00 N +ATOM 199 CA SER A 13 7.038 -6.057 2.614 1.00 0.00 C +ATOM 200 C SER A 13 7.028 -6.197 1.080 1.00 0.00 C +ATOM 201 O SER A 13 7.416 -7.241 0.562 1.00 0.00 O +ATOM 202 CB SER A 13 6.390 -7.277 3.283 1.00 0.00 C +ATOM 203 OG SER A 13 6.567 -7.211 4.686 1.00 0.00 O +ATOM 204 H SER A 13 5.434 -4.862 3.375 1.00 0.00 H +ATOM 205 HA SER A 13 8.085 -6.051 2.913 1.00 0.00 H +ATOM 206 HB2 SER A 13 5.341 -7.291 3.057 1.00 0.00 H +ATOM 207 HB3 SER A 13 6.867 -8.188 2.919 1.00 0.00 H +ATOM 208 HG SER A 13 6.098 -6.440 5.015 1.00 0.00 H +ATOM 209 N SER A 14 6.620 -5.147 0.358 1.00 0.00 N +ATOM 210 CA SER A 14 6.465 -5.116 -1.104 1.00 0.00 C +ATOM 211 C SER A 14 7.520 -4.277 -1.839 1.00 0.00 C +ATOM 212 O SER A 14 7.383 -4.035 -3.039 1.00 0.00 O +ATOM 213 CB SER A 14 5.072 -4.582 -1.431 1.00 0.00 C +ATOM 214 OG SER A 14 4.112 -5.580 -1.231 1.00 0.00 O +ATOM 215 H SER A 14 6.276 -4.349 0.876 1.00 0.00 H +ATOM 216 HA SER A 14 6.531 -6.130 -1.502 1.00 0.00 H +ATOM 217 HB2 SER A 14 4.854 -3.747 -0.793 1.00 0.00 H +ATOM 218 HB3 SER A 14 5.022 -4.287 -2.477 1.00 0.00 H +ATOM 219 HG SER A 14 3.651 -5.690 -2.148 1.00 0.00 H +ATOM 220 N GLY A 15 8.549 -3.780 -1.139 1.00 0.00 N +ATOM 221 CA GLY A 15 9.587 -2.933 -1.741 1.00 0.00 C +ATOM 222 C GLY A 15 9.096 -1.536 -2.151 1.00 0.00 C +ATOM 223 O GLY A 15 9.726 -0.894 -2.987 1.00 0.00 O +ATOM 224 H GLY A 15 8.618 -4.033 -0.161 1.00 0.00 H +ATOM 225 HA2 GLY A 15 10.410 -2.813 -1.039 1.00 0.00 H +ATOM 226 HA3 GLY A 15 9.975 -3.426 -2.634 1.00 0.00 H +ATOM 227 N ARG A 16 7.969 -1.073 -1.587 1.00 0.00 N +ATOM 228 CA ARG A 16 7.285 0.177 -1.944 1.00 0.00 C +ATOM 229 C ARG A 16 6.807 0.935 -0.691 1.00 0.00 C +ATOM 230 O ARG A 16 6.125 0.336 0.145 1.00 0.00 O +ATOM 231 CB ARG A 16 6.131 -0.110 -2.930 1.00 0.00 C +ATOM 232 CG ARG A 16 5.136 -1.187 -2.454 1.00 0.00 C +ATOM 233 CD ARG A 16 3.995 -1.438 -3.443 1.00 0.00 C +ATOM 234 NE ARG A 16 4.473 -2.075 -4.685 1.00 0.00 N +ATOM 235 CZ ARG A 16 4.016 -1.881 -5.916 1.00 0.00 C +ATOM 236 NH1 ARG A 16 3.041 -1.038 -6.174 1.00 0.00 N +ATOM 237 NH2 ARG A 16 4.543 -2.530 -6.926 1.00 0.00 N +ATOM 238 H ARG A 16 7.539 -1.660 -0.885 1.00 0.00 H +ATOM 239 HA ARG A 16 8.004 0.797 -2.475 1.00 0.00 H +ATOM 240 HB2 ARG A 16 5.588 0.802 -3.085 1.00 0.00 H +ATOM 241 HB3 ARG A 16 6.569 -0.435 -3.874 1.00 0.00 H +ATOM 242 HG2 ARG A 16 5.671 -2.106 -2.312 1.00 0.00 H +ATOM 243 HG3 ARG A 16 4.696 -0.891 -1.507 1.00 0.00 H +ATOM 244 HD2 ARG A 16 3.270 -2.080 -2.981 1.00 0.00 H +ATOM 245 HD3 ARG A 16 3.510 -0.485 -3.654 1.00 0.00 H +ATOM 246 HE ARG A 16 5.199 -2.769 -4.574 1.00 0.00 H +ATOM 247 HH11 ARG A 16 2.612 -0.568 -5.400 1.00 0.00 H +ATOM 248 HH12 ARG A 16 2.697 -0.911 -7.106 1.00 0.00 H +ATOM 249 HH21 ARG A 16 5.261 -3.213 -6.759 1.00 0.00 H +ATOM 250 HH22 ARG A 16 4.184 -2.398 -7.852 1.00 0.00 H +ATOM 251 N PRO A 17 7.131 2.235 -0.537 1.00 0.00 N +ATOM 252 CA PRO A 17 6.706 3.032 0.616 1.00 0.00 C +ATOM 253 C PRO A 17 5.183 3.290 0.607 1.00 0.00 C +ATOM 254 O PRO A 17 4.540 3.099 -0.429 1.00 0.00 O +ATOM 255 CB PRO A 17 7.514 4.332 0.509 1.00 0.00 C +ATOM 256 CG PRO A 17 7.726 4.499 -0.992 1.00 0.00 C +ATOM 257 CD PRO A 17 7.879 3.059 -1.478 1.00 0.00 C +ATOM 258 HA PRO A 17 6.972 2.511 1.537 1.00 0.00 H +ATOM 259 HB2 PRO A 17 6.963 5.160 0.913 1.00 0.00 H +ATOM 260 HB3 PRO A 17 8.479 4.197 1.000 1.00 0.00 H +ATOM 261 HG2 PRO A 17 6.880 4.973 -1.451 1.00 0.00 H +ATOM 262 HG3 PRO A 17 8.611 5.095 -1.213 1.00 0.00 H +ATOM 263 HD2 PRO A 17 7.476 2.955 -2.467 1.00 0.00 H +ATOM 264 HD3 PRO A 17 8.931 2.771 -1.454 1.00 0.00 H +ATOM 265 N PRO A 18 4.594 3.738 1.736 1.00 0.00 N +ATOM 266 CA PRO A 18 3.165 4.041 1.816 1.00 0.00 C +ATOM 267 C PRO A 18 2.783 5.192 0.871 1.00 0.00 C +ATOM 268 O PRO A 18 3.492 6.199 0.824 1.00 0.00 O +ATOM 269 CB PRO A 18 2.894 4.397 3.281 1.00 0.00 C +ATOM 270 CG PRO A 18 4.254 4.847 3.808 1.00 0.00 C +ATOM 271 CD PRO A 18 5.233 3.978 3.023 1.00 0.00 C +ATOM 272 HA PRO A 18 2.603 3.146 1.565 1.00 0.00 H +ATOM 273 HB2 PRO A 18 2.175 5.190 3.354 1.00 0.00 H +ATOM 274 HB3 PRO A 18 2.571 3.506 3.818 1.00 0.00 H +ATOM 275 HG2 PRO A 18 4.419 5.889 3.610 1.00 0.00 H +ATOM 276 HG3 PRO A 18 4.347 4.691 4.883 1.00 0.00 H +ATOM 277 HD2 PRO A 18 6.166 4.491 2.889 1.00 0.00 H +ATOM 278 HD3 PRO A 18 5.375 3.027 3.537 1.00 0.00 H +ATOM 279 N PRO A 19 1.669 5.075 0.121 1.00 0.00 N +ATOM 280 CA PRO A 19 1.193 6.145 -0.742 1.00 0.00 C +ATOM 281 C PRO A 19 0.412 7.189 0.066 1.00 0.00 C +ATOM 282 O PRO A 19 -0.366 6.839 0.959 1.00 0.00 O +ATOM 283 CB PRO A 19 0.286 5.445 -1.758 1.00 0.00 C +ATOM 284 CG PRO A 19 -0.334 4.311 -0.945 1.00 0.00 C +ATOM 285 CD PRO A 19 0.787 3.922 0.021 1.00 0.00 C +ATOM 286 HA PRO A 19 2.027 6.623 -1.257 1.00 0.00 H +ATOM 287 HB2 PRO A 19 -0.469 6.113 -2.125 1.00 0.00 H +ATOM 288 HB3 PRO A 19 0.899 5.024 -2.558 1.00 0.00 H +ATOM 289 HG2 PRO A 19 -1.202 4.649 -0.412 1.00 0.00 H +ATOM 290 HG3 PRO A 19 -0.632 3.479 -1.581 1.00 0.00 H +ATOM 291 HD2 PRO A 19 0.379 3.683 0.984 1.00 0.00 H +ATOM 292 HD3 PRO A 19 1.349 3.085 -0.391 1.00 0.00 H +ATOM 293 N SER A 20 0.545 8.452 -0.361 1.00 0.00 N +ATOM 294 CA SER A 20 -0.267 9.613 0.032 1.00 0.00 C +ATOM 295 C SER A 20 0.099 10.270 1.361 1.00 0.00 C +ATOM 296 O SER A 20 1.001 9.777 2.071 1.00 0.00 O +ATOM 297 CB SER A 20 -1.745 9.233 0.059 1.00 0.00 C +ATOM 298 OG SER A 20 -2.498 10.392 -0.203 1.00 0.00 O +ATOM 299 OXT SER A 20 -0.596 11.284 1.612 1.00 0.00 O +ATOM 300 H SER A 20 1.265 8.618 -1.047 1.00 0.00 H +ATOM 301 HA SER A 20 -0.121 10.385 -0.723 1.00 0.00 H +ATOM 302 HB2 SER A 20 -1.944 8.492 -0.691 1.00 0.00 H +ATOM 303 HB3 SER A 20 -1.994 8.859 1.055 1.00 0.00 H +ATOM 304 HG SER A 20 -2.028 11.083 0.314 1.00 0.00 H +TER 305 SER A 20 +ENDMDL +MODEL 20 +ATOM 1 N ASN A 1 -8.559 6.374 -1.226 1.00 0.00 N +ATOM 2 CA ASN A 1 -7.539 6.170 -0.168 1.00 0.00 C +ATOM 3 C ASN A 1 -6.191 5.649 -0.655 1.00 0.00 C +ATOM 4 O ASN A 1 -5.194 6.053 -0.072 1.00 0.00 O +ATOM 5 CB ASN A 1 -8.062 5.285 0.966 1.00 0.00 C +ATOM 6 CG ASN A 1 -8.992 6.102 1.840 1.00 0.00 C +ATOM 7 OD1 ASN A 1 -10.159 6.243 1.517 1.00 0.00 O +ATOM 8 ND2 ASN A 1 -8.488 6.730 2.886 1.00 0.00 N +ATOM 9 H1 ASN A 1 -8.207 6.992 -1.945 1.00 0.00 H +ATOM 10 H2 ASN A 1 -8.827 5.491 -1.639 1.00 0.00 H +ATOM 11 H3 ASN A 1 -9.389 6.786 -0.814 1.00 0.00 H +ATOM 12 HA ASN A 1 -7.316 7.145 0.269 1.00 0.00 H +ATOM 13 HB2 ASN A 1 -8.596 4.450 0.554 1.00 0.00 H +ATOM 14 HB3 ASN A 1 -7.238 4.906 1.572 1.00 0.00 H +ATOM 15 HD21 ASN A 1 -7.518 6.672 3.157 1.00 0.00 H +ATOM 16 HD22 ASN A 1 -9.151 7.262 3.426 1.00 0.00 H +ATOM 17 N LEU A 2 -6.126 4.735 -1.642 1.00 0.00 N +ATOM 18 CA LEU A 2 -4.891 4.125 -2.180 1.00 0.00 C +ATOM 19 C LEU A 2 -4.153 3.176 -1.204 1.00 0.00 C +ATOM 20 O LEU A 2 -3.597 2.164 -1.636 1.00 0.00 O +ATOM 21 CB LEU A 2 -3.962 5.228 -2.759 1.00 0.00 C +ATOM 22 CG LEU A 2 -3.563 5.018 -4.237 1.00 0.00 C +ATOM 23 CD1 LEU A 2 -3.974 6.221 -5.092 1.00 0.00 C +ATOM 24 CD2 LEU A 2 -2.055 4.808 -4.389 1.00 0.00 C +ATOM 25 H LEU A 2 -6.972 4.387 -2.062 1.00 0.00 H +ATOM 26 HA LEU A 2 -5.209 3.487 -3.002 1.00 0.00 H +ATOM 27 HB2 LEU A 2 -4.470 6.170 -2.679 1.00 0.00 H +ATOM 28 HB3 LEU A 2 -3.068 5.296 -2.140 1.00 0.00 H +ATOM 29 HG LEU A 2 -4.066 4.139 -4.638 1.00 0.00 H +ATOM 30 HD11 LEU A 2 -5.024 6.461 -4.923 1.00 0.00 H +ATOM 31 HD12 LEU A 2 -3.363 7.091 -4.843 1.00 0.00 H +ATOM 32 HD13 LEU A 2 -3.839 5.983 -6.147 1.00 0.00 H +ATOM 33 HD21 LEU A 2 -1.524 5.712 -4.089 1.00 0.00 H +ATOM 34 HD22 LEU A 2 -1.743 3.967 -3.772 1.00 0.00 H +ATOM 35 HD23 LEU A 2 -1.820 4.596 -5.432 1.00 0.00 H +ATOM 36 N TYR A 3 -4.202 3.452 0.106 1.00 0.00 N +ATOM 37 CA TYR A 3 -3.575 2.669 1.174 1.00 0.00 C +ATOM 38 C TYR A 3 -4.020 1.200 1.203 1.00 0.00 C +ATOM 39 O TYR A 3 -3.195 0.322 1.447 1.00 0.00 O +ATOM 40 CB TYR A 3 -3.843 3.340 2.530 1.00 0.00 C +ATOM 41 CG TYR A 3 -2.673 3.212 3.480 1.00 0.00 C +ATOM 42 CD1 TYR A 3 -2.543 2.088 4.320 1.00 0.00 C +ATOM 43 CD2 TYR A 3 -1.689 4.217 3.496 1.00 0.00 C +ATOM 44 CE1 TYR A 3 -1.427 1.974 5.172 1.00 0.00 C +ATOM 45 CE2 TYR A 3 -0.574 4.112 4.346 1.00 0.00 C +ATOM 46 CZ TYR A 3 -0.438 2.983 5.184 1.00 0.00 C +ATOM 47 OH TYR A 3 0.646 2.858 5.993 1.00 0.00 O +ATOM 48 H TYR A 3 -4.568 4.369 0.345 1.00 0.00 H +ATOM 49 HA TYR A 3 -2.498 2.677 1.000 1.00 0.00 H +ATOM 50 HB2 TYR A 3 -4.041 4.382 2.366 1.00 0.00 H +ATOM 51 HB3 TYR A 3 -4.737 2.911 2.988 1.00 0.00 H +ATOM 52 HD1 TYR A 3 -3.296 1.314 4.305 1.00 0.00 H +ATOM 53 HD2 TYR A 3 -1.794 5.082 2.856 1.00 0.00 H +ATOM 54 HE1 TYR A 3 -1.307 1.120 5.821 1.00 0.00 H +ATOM 55 HE2 TYR A 3 0.166 4.899 4.359 1.00 0.00 H +ATOM 56 HH TYR A 3 1.278 3.565 5.851 1.00 0.00 H +ATOM 57 N ILE A 4 -5.303 0.928 0.911 1.00 0.00 N +ATOM 58 CA ILE A 4 -5.843 -0.436 0.816 1.00 0.00 C +ATOM 59 C ILE A 4 -5.054 -1.237 -0.220 1.00 0.00 C +ATOM 60 O ILE A 4 -4.584 -2.327 0.084 1.00 0.00 O +ATOM 61 CB ILE A 4 -7.357 -0.449 0.483 1.00 0.00 C +ATOM 62 CG1 ILE A 4 -8.184 0.429 1.452 1.00 0.00 C +ATOM 63 CG2 ILE A 4 -7.909 -1.886 0.515 1.00 0.00 C +ATOM 64 CD1 ILE A 4 -8.655 1.719 0.779 1.00 0.00 C +ATOM 65 H ILE A 4 -5.915 1.709 0.742 1.00 0.00 H +ATOM 66 HA ILE A 4 -5.704 -0.925 1.782 1.00 0.00 H +ATOM 67 HB ILE A 4 -7.493 -0.077 -0.536 1.00 0.00 H +ATOM 68 HG12 ILE A 4 -9.042 -0.126 1.779 1.00 0.00 H +ATOM 69 HG13 ILE A 4 -7.595 0.676 2.336 1.00 0.00 H +ATOM 70 HG21 ILE A 4 -7.390 -2.519 -0.204 1.00 0.00 H +ATOM 71 HG22 ILE A 4 -7.795 -2.311 1.514 1.00 0.00 H +ATOM 72 HG23 ILE A 4 -8.968 -1.881 0.251 1.00 0.00 H +ATOM 73 HD11 ILE A 4 -7.807 2.246 0.343 1.00 0.00 H +ATOM 74 HD12 ILE A 4 -9.375 1.482 -0.007 1.00 0.00 H +ATOM 75 HD13 ILE A 4 -9.141 2.352 1.521 1.00 0.00 H +ATOM 76 N GLN A 5 -4.882 -0.682 -1.427 1.00 0.00 N +ATOM 77 CA GLN A 5 -4.187 -1.318 -2.543 1.00 0.00 C +ATOM 78 C GLN A 5 -2.715 -1.599 -2.195 1.00 0.00 C +ATOM 79 O GLN A 5 -2.236 -2.714 -2.401 1.00 0.00 O +ATOM 80 CB GLN A 5 -4.359 -0.428 -3.793 1.00 0.00 C +ATOM 81 CG GLN A 5 -4.481 -1.221 -5.109 1.00 0.00 C +ATOM 82 CD GLN A 5 -3.302 -1.006 -6.054 1.00 0.00 C +ATOM 83 OE1 GLN A 5 -2.144 -1.029 -5.666 1.00 0.00 O +ATOM 84 NE2 GLN A 5 -3.557 -0.777 -7.329 1.00 0.00 N +ATOM 85 H GLN A 5 -5.224 0.258 -1.562 1.00 0.00 H +ATOM 86 HA GLN A 5 -4.671 -2.279 -2.721 1.00 0.00 H +ATOM 87 HB2 GLN A 5 -5.247 0.161 -3.669 1.00 0.00 H +ATOM 88 HB3 GLN A 5 -3.541 0.293 -3.855 1.00 0.00 H +ATOM 89 HG2 GLN A 5 -4.542 -2.266 -4.873 1.00 0.00 H +ATOM 90 HG3 GLN A 5 -5.394 -0.897 -5.613 1.00 0.00 H +ATOM 91 HE21 GLN A 5 -4.491 -0.741 -7.700 1.00 0.00 H +ATOM 92 HE22 GLN A 5 -2.737 -0.694 -7.906 1.00 0.00 H +ATOM 93 N TRP A 6 -2.029 -0.624 -1.578 1.00 0.00 N +ATOM 94 CA TRP A 6 -0.665 -0.788 -1.058 1.00 0.00 C +ATOM 95 C TRP A 6 -0.556 -1.893 0.011 1.00 0.00 C +ATOM 96 O TRP A 6 0.331 -2.745 -0.077 1.00 0.00 O +ATOM 97 CB TRP A 6 -0.159 0.559 -0.523 1.00 0.00 C +ATOM 98 CG TRP A 6 1.225 0.523 0.051 1.00 0.00 C +ATOM 99 CD1 TRP A 6 2.372 0.435 -0.663 1.00 0.00 C +ATOM 100 CD2 TRP A 6 1.630 0.513 1.454 1.00 0.00 C +ATOM 101 NE1 TRP A 6 3.451 0.386 0.196 1.00 0.00 N +ATOM 102 CE2 TRP A 6 3.054 0.444 1.511 1.00 0.00 C +ATOM 103 CE3 TRP A 6 0.945 0.537 2.688 1.00 0.00 C +ATOM 104 CZ2 TRP A 6 3.767 0.433 2.717 1.00 0.00 C +ATOM 105 CZ3 TRP A 6 1.648 0.497 3.907 1.00 0.00 C +ATOM 106 CH2 TRP A 6 3.054 0.465 3.925 1.00 0.00 C +ATOM 107 H TRP A 6 -2.509 0.259 -1.436 1.00 0.00 H +ATOM 108 HA TRP A 6 -0.018 -1.090 -1.882 1.00 0.00 H +ATOM 109 HB2 TRP A 6 -0.168 1.265 -1.331 1.00 0.00 H +ATOM 110 HB3 TRP A 6 -0.840 0.912 0.252 1.00 0.00 H +ATOM 111 HD1 TRP A 6 2.432 0.386 -1.739 1.00 0.00 H +ATOM 112 HE1 TRP A 6 4.433 0.309 -0.087 1.00 0.00 H +ATOM 113 HE3 TRP A 6 -0.135 0.584 2.691 1.00 0.00 H +ATOM 114 HZ2 TRP A 6 4.847 0.386 2.702 1.00 0.00 H +ATOM 115 HZ3 TRP A 6 1.107 0.502 4.843 1.00 0.00 H +ATOM 116 HH2 TRP A 6 3.581 0.457 4.869 1.00 0.00 H +ATOM 117 N LEU A 7 -1.463 -1.916 0.999 1.00 0.00 N +ATOM 118 CA LEU A 7 -1.525 -3.000 1.984 1.00 0.00 C +ATOM 119 C LEU A 7 -1.822 -4.357 1.333 1.00 0.00 C +ATOM 120 O LEU A 7 -1.178 -5.338 1.700 1.00 0.00 O +ATOM 121 CB LEU A 7 -2.557 -2.691 3.086 1.00 0.00 C +ATOM 122 CG LEU A 7 -2.097 -1.666 4.139 1.00 0.00 C +ATOM 123 CD1 LEU A 7 -3.252 -1.407 5.113 1.00 0.00 C +ATOM 124 CD2 LEU A 7 -0.893 -2.152 4.958 1.00 0.00 C +ATOM 125 H LEU A 7 -2.157 -1.171 1.046 1.00 0.00 H +ATOM 126 HA LEU A 7 -0.541 -3.101 2.440 1.00 0.00 H +ATOM 127 HB2 LEU A 7 -3.443 -2.310 2.615 1.00 0.00 H +ATOM 128 HB3 LEU A 7 -2.794 -3.620 3.606 1.00 0.00 H +ATOM 129 HG LEU A 7 -1.835 -0.730 3.648 1.00 0.00 H +ATOM 130 HD11 LEU A 7 -4.113 -1.019 4.569 1.00 0.00 H +ATOM 131 HD12 LEU A 7 -3.533 -2.334 5.614 1.00 0.00 H +ATOM 132 HD13 LEU A 7 -2.951 -0.680 5.866 1.00 0.00 H +ATOM 133 HD21 LEU A 7 -1.114 -3.120 5.409 1.00 0.00 H +ATOM 134 HD22 LEU A 7 -0.012 -2.241 4.326 1.00 0.00 H +ATOM 135 HD23 LEU A 7 -0.668 -1.436 5.747 1.00 0.00 H +ATOM 136 N LYS A 8 -2.738 -4.419 0.353 1.00 0.00 N +ATOM 137 CA LYS A 8 -3.104 -5.647 -0.376 1.00 0.00 C +ATOM 138 C LYS A 8 -1.891 -6.322 -1.027 1.00 0.00 C +ATOM 139 O LYS A 8 -1.817 -7.547 -1.040 1.00 0.00 O +ATOM 140 CB LYS A 8 -4.205 -5.340 -1.415 1.00 0.00 C +ATOM 141 CG LYS A 8 -5.335 -6.380 -1.451 1.00 0.00 C +ATOM 142 CD LYS A 8 -4.972 -7.663 -2.207 1.00 0.00 C +ATOM 143 CE LYS A 8 -6.125 -8.664 -2.114 1.00 0.00 C +ATOM 144 NZ LYS A 8 -5.771 -9.943 -2.773 1.00 0.00 N +ATOM 145 H LYS A 8 -3.250 -3.563 0.145 1.00 0.00 H +ATOM 146 HA LYS A 8 -3.490 -6.354 0.358 1.00 0.00 H +ATOM 147 HB2 LYS A 8 -4.633 -4.384 -1.181 1.00 0.00 H +ATOM 148 HB3 LYS A 8 -3.770 -5.224 -2.411 1.00 0.00 H +ATOM 149 HG2 LYS A 8 -5.586 -6.642 -0.441 1.00 0.00 H +ATOM 150 HG3 LYS A 8 -6.197 -5.928 -1.944 1.00 0.00 H +ATOM 151 HD2 LYS A 8 -4.786 -7.429 -3.237 1.00 0.00 H +ATOM 152 HD3 LYS A 8 -4.085 -8.111 -1.765 1.00 0.00 H +ATOM 153 HE2 LYS A 8 -6.345 -8.851 -1.081 1.00 0.00 H +ATOM 154 HE3 LYS A 8 -7.012 -8.228 -2.581 1.00 0.00 H +ATOM 155 HZ1 LYS A 8 -5.589 -9.789 -3.756 1.00 0.00 H +ATOM 156 HZ2 LYS A 8 -4.937 -10.327 -2.348 1.00 0.00 H +ATOM 157 HZ3 LYS A 8 -6.525 -10.610 -2.677 1.00 0.00 H +ATOM 158 N ASP A 9 -0.939 -5.531 -1.526 1.00 0.00 N +ATOM 159 CA ASP A 9 0.321 -6.020 -2.093 1.00 0.00 C +ATOM 160 C ASP A 9 1.283 -6.607 -1.037 1.00 0.00 C +ATOM 161 O ASP A 9 2.139 -7.419 -1.377 1.00 0.00 O +ATOM 162 CB ASP A 9 0.989 -4.858 -2.850 1.00 0.00 C +ATOM 163 CG ASP A 9 1.796 -5.335 -4.057 1.00 0.00 C +ATOM 164 OD1 ASP A 9 1.163 -5.904 -4.975 1.00 0.00 O +ATOM 165 OD2 ASP A 9 3.019 -5.073 -4.070 1.00 0.00 O +ATOM 166 H ASP A 9 -1.118 -4.533 -1.538 1.00 0.00 H +ATOM 167 HA ASP A 9 0.090 -6.813 -2.809 1.00 0.00 H +ATOM 168 HB2 ASP A 9 0.226 -4.185 -3.190 1.00 0.00 H +ATOM 169 HB3 ASP A 9 1.629 -4.297 -2.165 1.00 0.00 H +ATOM 170 N GLY A 10 1.133 -6.217 0.240 1.00 0.00 N +ATOM 171 CA GLY A 10 2.010 -6.592 1.355 1.00 0.00 C +ATOM 172 C GLY A 10 2.573 -5.411 2.161 1.00 0.00 C +ATOM 173 O GLY A 10 3.398 -5.625 3.054 1.00 0.00 O +ATOM 174 H GLY A 10 0.303 -5.675 0.461 1.00 0.00 H +ATOM 175 HA2 GLY A 10 1.445 -7.224 2.039 1.00 0.00 H +ATOM 176 HA3 GLY A 10 2.855 -7.173 0.983 1.00 0.00 H +ATOM 177 N GLY A 11 2.155 -4.169 1.875 1.00 0.00 N +ATOM 178 CA GLY A 11 2.637 -2.966 2.554 1.00 0.00 C +ATOM 179 C GLY A 11 4.173 -2.844 2.510 1.00 0.00 C +ATOM 180 O GLY A 11 4.743 -2.864 1.419 1.00 0.00 O +ATOM 181 H GLY A 11 1.499 -4.036 1.112 1.00 0.00 H +ATOM 182 HA2 GLY A 11 2.212 -2.097 2.057 1.00 0.00 H +ATOM 183 HA3 GLY A 11 2.276 -2.984 3.579 1.00 0.00 H +ATOM 184 N PRO A 12 4.876 -2.729 3.659 1.00 0.00 N +ATOM 185 CA PRO A 12 6.341 -2.693 3.687 1.00 0.00 C +ATOM 186 C PRO A 12 7.005 -3.929 3.062 1.00 0.00 C +ATOM 187 O PRO A 12 8.095 -3.815 2.504 1.00 0.00 O +ATOM 188 CB PRO A 12 6.736 -2.568 5.165 1.00 0.00 C +ATOM 189 CG PRO A 12 5.479 -2.037 5.847 1.00 0.00 C +ATOM 190 CD PRO A 12 4.350 -2.640 5.013 1.00 0.00 C +ATOM 191 HA PRO A 12 6.678 -1.805 3.152 1.00 0.00 H +ATOM 192 HB2 PRO A 12 7.012 -3.524 5.567 1.00 0.00 H +ATOM 193 HB3 PRO A 12 7.579 -1.889 5.296 1.00 0.00 H +ATOM 194 HG2 PRO A 12 5.424 -2.369 6.866 1.00 0.00 H +ATOM 195 HG3 PRO A 12 5.453 -0.949 5.767 1.00 0.00 H +ATOM 196 HD2 PRO A 12 4.091 -3.614 5.380 1.00 0.00 H +ATOM 197 HD3 PRO A 12 3.468 -2.003 5.070 1.00 0.00 H +ATOM 198 N SER A 13 6.350 -5.101 3.114 1.00 0.00 N +ATOM 199 CA SER A 13 6.894 -6.348 2.558 1.00 0.00 C +ATOM 200 C SER A 13 7.064 -6.302 1.037 1.00 0.00 C +ATOM 201 O SER A 13 7.806 -7.118 0.493 1.00 0.00 O +ATOM 202 CB SER A 13 5.994 -7.536 2.906 1.00 0.00 C +ATOM 203 OG SER A 13 6.670 -8.733 2.580 1.00 0.00 O +ATOM 204 H SER A 13 5.406 -5.120 3.489 1.00 0.00 H +ATOM 205 HA SER A 13 7.875 -6.522 3.002 1.00 0.00 H +ATOM 206 HB2 SER A 13 5.770 -7.523 3.955 1.00 0.00 H +ATOM 207 HB3 SER A 13 5.068 -7.474 2.335 1.00 0.00 H +ATOM 208 HG SER A 13 7.095 -8.611 1.716 1.00 0.00 H +ATOM 209 N SER A 14 6.380 -5.370 0.366 1.00 0.00 N +ATOM 210 CA SER A 14 6.436 -5.119 -1.073 1.00 0.00 C +ATOM 211 C SER A 14 7.612 -4.213 -1.472 1.00 0.00 C +ATOM 212 O SER A 14 7.787 -3.922 -2.655 1.00 0.00 O +ATOM 213 CB SER A 14 5.135 -4.433 -1.522 1.00 0.00 C +ATOM 214 OG SER A 14 4.021 -4.846 -0.754 1.00 0.00 O +ATOM 215 H SER A 14 5.700 -4.806 0.866 1.00 0.00 H +ATOM 216 HA SER A 14 6.525 -6.070 -1.599 1.00 0.00 H +ATOM 217 HB2 SER A 14 5.251 -3.371 -1.420 1.00 0.00 H +ATOM 218 HB3 SER A 14 4.963 -4.657 -2.575 1.00 0.00 H +ATOM 219 HG SER A 14 3.267 -4.316 -1.024 1.00 0.00 H +ATOM 220 N GLY A 15 8.377 -3.685 -0.506 1.00 0.00 N +ATOM 221 CA GLY A 15 9.506 -2.771 -0.715 1.00 0.00 C +ATOM 222 C GLY A 15 9.108 -1.335 -1.091 1.00 0.00 C +ATOM 223 O GLY A 15 9.766 -0.389 -0.660 1.00 0.00 O +ATOM 224 H GLY A 15 8.157 -3.928 0.457 1.00 0.00 H +ATOM 225 HA2 GLY A 15 10.096 -2.732 0.199 1.00 0.00 H +ATOM 226 HA3 GLY A 15 10.140 -3.166 -1.510 1.00 0.00 H +ATOM 227 N ARG A 16 8.034 -1.153 -1.871 1.00 0.00 N +ATOM 228 CA ARG A 16 7.469 0.154 -2.234 1.00 0.00 C +ATOM 229 C ARG A 16 6.973 0.913 -0.978 1.00 0.00 C +ATOM 230 O ARG A 16 6.211 0.332 -0.200 1.00 0.00 O +ATOM 231 CB ARG A 16 6.320 -0.061 -3.236 1.00 0.00 C +ATOM 232 CG ARG A 16 5.701 1.259 -3.728 1.00 0.00 C +ATOM 233 CD ARG A 16 4.282 1.081 -4.280 1.00 0.00 C +ATOM 234 NE ARG A 16 3.436 2.223 -3.888 1.00 0.00 N +ATOM 235 CZ ARG A 16 2.113 2.270 -3.848 1.00 0.00 C +ATOM 236 NH1 ARG A 16 1.365 1.261 -4.236 1.00 0.00 N +ATOM 237 NH2 ARG A 16 1.519 3.348 -3.396 1.00 0.00 N +ATOM 238 H ARG A 16 7.609 -2.003 -2.232 1.00 0.00 H +ATOM 239 HA ARG A 16 8.260 0.723 -2.719 1.00 0.00 H +ATOM 240 HB2 ARG A 16 6.701 -0.598 -4.084 1.00 0.00 H +ATOM 241 HB3 ARG A 16 5.552 -0.663 -2.744 1.00 0.00 H +ATOM 242 HG2 ARG A 16 5.665 1.948 -2.906 1.00 0.00 H +ATOM 243 HG3 ARG A 16 6.342 1.711 -4.487 1.00 0.00 H +ATOM 244 HD2 ARG A 16 4.323 1.021 -5.351 1.00 0.00 H +ATOM 245 HD3 ARG A 16 3.851 0.165 -3.875 1.00 0.00 H +ATOM 246 HE ARG A 16 3.920 3.015 -3.494 1.00 0.00 H +ATOM 247 HH11 ARG A 16 1.821 0.446 -4.608 1.00 0.00 H +ATOM 248 HH12 ARG A 16 0.362 1.295 -4.201 1.00 0.00 H +ATOM 249 HH21 ARG A 16 2.072 4.122 -3.070 1.00 0.00 H +ATOM 250 HH22 ARG A 16 0.518 3.399 -3.384 1.00 0.00 H +ATOM 251 N PRO A 17 7.293 2.215 -0.808 1.00 0.00 N +ATOM 252 CA PRO A 17 6.771 3.037 0.288 1.00 0.00 C +ATOM 253 C PRO A 17 5.246 3.279 0.193 1.00 0.00 C +ATOM 254 O PRO A 17 4.657 3.102 -0.882 1.00 0.00 O +ATOM 255 CB PRO A 17 7.554 4.355 0.201 1.00 0.00 C +ATOM 256 CG PRO A 17 7.898 4.468 -1.280 1.00 0.00 C +ATOM 257 CD PRO A 17 8.151 3.015 -1.674 1.00 0.00 C +ATOM 258 HA PRO A 17 6.993 2.548 1.239 1.00 0.00 H +ATOM 259 HB2 PRO A 17 6.949 5.182 0.518 1.00 0.00 H +ATOM 260 HB3 PRO A 17 8.473 4.272 0.782 1.00 0.00 H +ATOM 261 HG2 PRO A 17 7.081 4.884 -1.837 1.00 0.00 H +ATOM 262 HG3 PRO A 17 8.774 5.093 -1.450 1.00 0.00 H +ATOM 263 HD2 PRO A 17 7.895 2.857 -2.704 1.00 0.00 H +ATOM 264 HD3 PRO A 17 9.194 2.757 -1.486 1.00 0.00 H +ATOM 265 N PRO A 18 4.597 3.714 1.294 1.00 0.00 N +ATOM 266 CA PRO A 18 3.162 3.983 1.317 1.00 0.00 C +ATOM 267 C PRO A 18 2.768 5.182 0.431 1.00 0.00 C +ATOM 268 O PRO A 18 3.608 6.024 0.114 1.00 0.00 O +ATOM 269 CB PRO A 18 2.811 4.228 2.790 1.00 0.00 C +ATOM 270 CG PRO A 18 4.117 4.740 3.389 1.00 0.00 C +ATOM 271 CD PRO A 18 5.176 3.963 2.610 1.00 0.00 C +ATOM 272 HA PRO A 18 2.635 3.096 0.970 1.00 0.00 H +ATOM 273 HB2 PRO A 18 2.034 4.962 2.882 1.00 0.00 H +ATOM 274 HB3 PRO A 18 2.539 3.285 3.264 1.00 0.00 H +ATOM 275 HG2 PRO A 18 4.224 5.797 3.237 1.00 0.00 H +ATOM 276 HG3 PRO A 18 4.178 4.547 4.461 1.00 0.00 H +ATOM 277 HD2 PRO A 18 6.074 4.543 2.520 1.00 0.00 H +ATOM 278 HD3 PRO A 18 5.373 3.011 3.105 1.00 0.00 H +ATOM 279 N PRO A 19 1.485 5.278 0.026 1.00 0.00 N +ATOM 280 CA PRO A 19 0.982 6.372 -0.808 1.00 0.00 C +ATOM 281 C PRO A 19 0.682 7.673 -0.045 1.00 0.00 C +ATOM 282 O PRO A 19 0.626 8.727 -0.675 1.00 0.00 O +ATOM 283 CB PRO A 19 -0.302 5.824 -1.426 1.00 0.00 C +ATOM 284 CG PRO A 19 -0.825 4.851 -0.371 1.00 0.00 C +ATOM 285 CD PRO A 19 0.452 4.272 0.229 1.00 0.00 C +ATOM 286 HA PRO A 19 1.699 6.601 -1.599 1.00 0.00 H +ATOM 287 HB2 PRO A 19 -1.008 6.612 -1.603 1.00 0.00 H +ATOM 288 HB3 PRO A 19 -0.052 5.278 -2.333 1.00 0.00 H +ATOM 289 HG2 PRO A 19 -1.402 5.364 0.374 1.00 0.00 H +ATOM 290 HG3 PRO A 19 -1.440 4.069 -0.815 1.00 0.00 H +ATOM 291 HD2 PRO A 19 0.318 4.081 1.276 1.00 0.00 H +ATOM 292 HD3 PRO A 19 0.728 3.363 -0.309 1.00 0.00 H +ATOM 293 N SER A 20 0.482 7.598 1.276 1.00 0.00 N +ATOM 294 CA SER A 20 0.266 8.724 2.196 1.00 0.00 C +ATOM 295 C SER A 20 1.329 8.752 3.288 1.00 0.00 C +ATOM 296 O SER A 20 1.742 7.644 3.706 1.00 0.00 O +ATOM 297 CB SER A 20 -1.141 8.690 2.805 1.00 0.00 C +ATOM 298 OG SER A 20 -1.374 7.496 3.524 1.00 0.00 O +ATOM 299 OXT SER A 20 1.652 9.878 3.716 1.00 0.00 O +ATOM 300 H SER A 20 0.581 6.704 1.731 1.00 0.00 H +ATOM 301 HA SER A 20 0.368 9.660 1.645 1.00 0.00 H +ATOM 302 HB2 SER A 20 -1.251 9.524 3.471 1.00 0.00 H +ATOM 303 HB3 SER A 20 -1.884 8.784 2.011 1.00 0.00 H +ATOM 304 HG SER A 20 -0.759 7.480 4.268 1.00 0.00 H +TER 305 SER A 20 +ENDMDL +MODEL 21 +ATOM 1 N ASN A 1 -8.205 5.399 0.404 1.00 0.00 N +ATOM 2 CA ASN A 1 -8.421 4.425 -0.695 1.00 0.00 C +ATOM 3 C ASN A 1 -7.126 3.775 -1.163 1.00 0.00 C +ATOM 4 O ASN A 1 -6.987 2.568 -1.004 1.00 0.00 O +ATOM 5 CB ASN A 1 -9.214 5.043 -1.856 1.00 0.00 C +ATOM 6 CG ASN A 1 -10.664 5.161 -1.424 1.00 0.00 C +ATOM 7 OD1 ASN A 1 -10.997 6.047 -0.655 1.00 0.00 O +ATOM 8 ND2 ASN A 1 -11.516 4.226 -1.803 1.00 0.00 N +ATOM 9 H1 ASN A 1 -7.624 4.992 1.125 1.00 0.00 H +ATOM 10 H2 ASN A 1 -7.759 6.235 0.050 1.00 0.00 H +ATOM 11 H3 ASN A 1 -9.098 5.664 0.802 1.00 0.00 H +ATOM 12 HA ASN A 1 -9.021 3.603 -0.300 1.00 0.00 H +ATOM 13 HB2 ASN A 1 -8.823 6.015 -2.087 1.00 0.00 H +ATOM 14 HB3 ASN A 1 -9.147 4.412 -2.743 1.00 0.00 H +ATOM 15 HD21 ASN A 1 -11.263 3.457 -2.402 1.00 0.00 H +ATOM 16 HD22 ASN A 1 -12.463 4.349 -1.476 1.00 0.00 H +ATOM 17 N LEU A 2 -6.172 4.549 -1.692 1.00 0.00 N +ATOM 18 CA LEU A 2 -4.889 4.051 -2.203 1.00 0.00 C +ATOM 19 C LEU A 2 -4.114 3.184 -1.190 1.00 0.00 C +ATOM 20 O LEU A 2 -3.509 2.181 -1.570 1.00 0.00 O +ATOM 21 CB LEU A 2 -4.073 5.277 -2.655 1.00 0.00 C +ATOM 22 CG LEU A 2 -4.033 5.475 -4.183 1.00 0.00 C +ATOM 23 CD1 LEU A 2 -4.073 6.965 -4.529 1.00 0.00 C +ATOM 24 CD2 LEU A 2 -2.762 4.845 -4.764 1.00 0.00 C +ATOM 25 H LEU A 2 -6.330 5.538 -1.816 1.00 0.00 H +ATOM 26 HA LEU A 2 -5.081 3.408 -3.065 1.00 0.00 H +ATOM 27 HB2 LEU A 2 -4.507 6.153 -2.213 1.00 0.00 H +ATOM 28 HB3 LEU A 2 -3.055 5.173 -2.305 1.00 0.00 H +ATOM 29 HG LEU A 2 -4.900 4.998 -4.643 1.00 0.00 H +ATOM 30 HD11 LEU A 2 -5.100 7.324 -4.467 1.00 0.00 H +ATOM 31 HD12 LEU A 2 -3.450 7.536 -3.839 1.00 0.00 H +ATOM 32 HD13 LEU A 2 -3.711 7.128 -5.545 1.00 0.00 H +ATOM 33 HD21 LEU A 2 -1.884 5.386 -4.413 1.00 0.00 H +ATOM 34 HD22 LEU A 2 -2.688 3.801 -4.461 1.00 0.00 H +ATOM 35 HD23 LEU A 2 -2.792 4.898 -5.853 1.00 0.00 H +ATOM 36 N TYR A 3 -4.187 3.525 0.103 1.00 0.00 N +ATOM 37 CA TYR A 3 -3.556 2.775 1.192 1.00 0.00 C +ATOM 38 C TYR A 3 -4.000 1.305 1.250 1.00 0.00 C +ATOM 39 O TYR A 3 -3.195 0.429 1.563 1.00 0.00 O +ATOM 40 CB TYR A 3 -3.840 3.474 2.532 1.00 0.00 C +ATOM 41 CG TYR A 3 -2.641 3.483 3.456 1.00 0.00 C +ATOM 42 CD1 TYR A 3 -2.318 2.335 4.203 1.00 0.00 C +ATOM 43 CD2 TYR A 3 -1.834 4.634 3.549 1.00 0.00 C +ATOM 44 CE1 TYR A 3 -1.190 2.334 5.043 1.00 0.00 C +ATOM 45 CE2 TYR A 3 -0.712 4.643 4.398 1.00 0.00 C +ATOM 46 CZ TYR A 3 -0.385 3.488 5.143 1.00 0.00 C +ATOM 47 OH TYR A 3 0.689 3.483 5.975 1.00 0.00 O +ATOM 48 H TYR A 3 -4.659 4.384 0.331 1.00 0.00 H +ATOM 49 HA TYR A 3 -2.477 2.787 1.022 1.00 0.00 H +ATOM 50 HB2 TYR A 3 -4.128 4.489 2.335 1.00 0.00 H +ATOM 51 HB3 TYR A 3 -4.675 2.981 3.036 1.00 0.00 H +ATOM 52 HD1 TYR A 3 -2.934 1.451 4.126 1.00 0.00 H +ATOM 53 HD2 TYR A 3 -2.071 5.516 2.968 1.00 0.00 H +ATOM 54 HE1 TYR A 3 -0.931 1.461 5.624 1.00 0.00 H +ATOM 55 HE2 TYR A 3 -0.096 5.527 4.474 1.00 0.00 H +ATOM 56 HH TYR A 3 0.536 4.026 6.750 1.00 0.00 H +ATOM 57 N ILE A 4 -5.268 1.027 0.907 1.00 0.00 N +ATOM 58 CA ILE A 4 -5.809 -0.333 0.842 1.00 0.00 C +ATOM 59 C ILE A 4 -5.065 -1.132 -0.228 1.00 0.00 C +ATOM 60 O ILE A 4 -4.619 -2.244 0.044 1.00 0.00 O +ATOM 61 CB ILE A 4 -7.333 -0.322 0.572 1.00 0.00 C +ATOM 62 CG1 ILE A 4 -8.130 0.602 1.523 1.00 0.00 C +ATOM 63 CG2 ILE A 4 -7.912 -1.748 0.626 1.00 0.00 C +ATOM 64 CD1 ILE A 4 -7.837 0.419 3.019 1.00 0.00 C +ATOM 65 H ILE A 4 -5.853 1.783 0.573 1.00 0.00 H +ATOM 66 HA ILE A 4 -5.628 -0.825 1.798 1.00 0.00 H +ATOM 67 HB ILE A 4 -7.498 0.045 -0.442 1.00 0.00 H +ATOM 68 HG12 ILE A 4 -7.904 1.618 1.263 1.00 0.00 H +ATOM 69 HG13 ILE A 4 -9.195 0.439 1.352 1.00 0.00 H +ATOM 70 HG21 ILE A 4 -7.438 -2.382 -0.123 1.00 0.00 H +ATOM 71 HG22 ILE A 4 -7.755 -2.190 1.610 1.00 0.00 H +ATOM 72 HG23 ILE A 4 -8.983 -1.721 0.418 1.00 0.00 H +ATOM 73 HD11 ILE A 4 -7.575 -0.614 3.246 1.00 0.00 H +ATOM 74 HD12 ILE A 4 -7.012 1.067 3.316 1.00 0.00 H +ATOM 75 HD13 ILE A 4 -8.722 0.689 3.595 1.00 0.00 H +ATOM 76 N GLN A 5 -4.894 -0.554 -1.425 1.00 0.00 N +ATOM 77 CA GLN A 5 -4.180 -1.182 -2.538 1.00 0.00 C +ATOM 78 C GLN A 5 -2.711 -1.453 -2.172 1.00 0.00 C +ATOM 79 O GLN A 5 -2.211 -2.547 -2.418 1.00 0.00 O +ATOM 80 CB GLN A 5 -4.321 -0.301 -3.794 1.00 0.00 C +ATOM 81 CG GLN A 5 -4.173 -1.098 -5.104 1.00 0.00 C +ATOM 82 CD GLN A 5 -2.956 -0.675 -5.920 1.00 0.00 C +ATOM 83 OE1 GLN A 5 -1.933 -1.333 -5.943 1.00 0.00 O +ATOM 84 NE2 GLN A 5 -3.020 0.437 -6.629 1.00 0.00 N +ATOM 85 H GLN A 5 -5.218 0.396 -1.539 1.00 0.00 H +ATOM 86 HA GLN A 5 -4.656 -2.143 -2.729 1.00 0.00 H +ATOM 87 HB2 GLN A 5 -5.289 0.161 -3.782 1.00 0.00 H +ATOM 88 HB3 GLN A 5 -3.593 0.512 -3.762 1.00 0.00 H +ATOM 89 HG2 GLN A 5 -4.079 -2.139 -4.863 1.00 0.00 H +ATOM 90 HG3 GLN A 5 -5.066 -0.948 -5.712 1.00 0.00 H +ATOM 91 HE21 GLN A 5 -3.834 1.023 -6.661 1.00 0.00 H +ATOM 92 HE22 GLN A 5 -2.179 0.616 -7.149 1.00 0.00 H +ATOM 93 N TRP A 6 -2.050 -0.491 -1.510 1.00 0.00 N +ATOM 94 CA TRP A 6 -0.682 -0.649 -1.004 1.00 0.00 C +ATOM 95 C TRP A 6 -0.552 -1.777 0.033 1.00 0.00 C +ATOM 96 O TRP A 6 0.343 -2.619 -0.074 1.00 0.00 O +ATOM 97 CB TRP A 6 -0.195 0.683 -0.426 1.00 0.00 C +ATOM 98 CG TRP A 6 1.199 0.640 0.118 1.00 0.00 C +ATOM 99 CD1 TRP A 6 2.328 0.641 -0.626 1.00 0.00 C +ATOM 100 CD2 TRP A 6 1.638 0.542 1.510 1.00 0.00 C +ATOM 101 NE1 TRP A 6 3.424 0.533 0.208 1.00 0.00 N +ATOM 102 CE2 TRP A 6 3.060 0.471 1.527 1.00 0.00 C +ATOM 103 CE3 TRP A 6 0.987 0.512 2.761 1.00 0.00 C +ATOM 104 CZ2 TRP A 6 3.807 0.373 2.709 1.00 0.00 C +ATOM 105 CZ3 TRP A 6 1.723 0.410 3.959 1.00 0.00 C +ATOM 106 CH2 TRP A 6 3.128 0.343 3.936 1.00 0.00 C +ATOM 107 H TRP A 6 -2.536 0.387 -1.350 1.00 0.00 H +ATOM 108 HA TRP A 6 -0.035 -0.916 -1.840 1.00 0.00 H +ATOM 109 HB2 TRP A 6 -0.231 1.421 -1.204 1.00 0.00 H +ATOM 110 HB3 TRP A 6 -0.865 0.995 0.375 1.00 0.00 H +ATOM 111 HD1 TRP A 6 2.362 0.708 -1.706 1.00 0.00 H +ATOM 112 HE1 TRP A 6 4.401 0.535 -0.078 1.00 0.00 H +ATOM 113 HE3 TRP A 6 -0.088 0.583 2.787 1.00 0.00 H +ATOM 114 HZ2 TRP A 6 4.885 0.322 2.660 1.00 0.00 H +ATOM 115 HZ3 TRP A 6 1.210 0.395 4.909 1.00 0.00 H +ATOM 116 HH2 TRP A 6 3.683 0.276 4.862 1.00 0.00 H +ATOM 117 N LEU A 7 -1.451 -1.826 1.027 1.00 0.00 N +ATOM 118 CA LEU A 7 -1.482 -2.920 2.000 1.00 0.00 C +ATOM 119 C LEU A 7 -1.770 -4.274 1.337 1.00 0.00 C +ATOM 120 O LEU A 7 -1.172 -5.271 1.735 1.00 0.00 O +ATOM 121 CB LEU A 7 -2.494 -2.616 3.120 1.00 0.00 C +ATOM 122 CG LEU A 7 -2.022 -1.536 4.111 1.00 0.00 C +ATOM 123 CD1 LEU A 7 -3.153 -1.196 5.086 1.00 0.00 C +ATOM 124 CD2 LEU A 7 -0.804 -1.981 4.934 1.00 0.00 C +ATOM 125 H LEU A 7 -2.149 -1.086 1.092 1.00 0.00 H +ATOM 126 HA LEU A 7 -0.489 -3.014 2.435 1.00 0.00 H +ATOM 127 HB2 LEU A 7 -3.409 -2.283 2.668 1.00 0.00 H +ATOM 128 HB3 LEU A 7 -2.686 -3.532 3.681 1.00 0.00 H +ATOM 129 HG LEU A 7 -1.764 -0.633 3.565 1.00 0.00 H +ATOM 130 HD11 LEU A 7 -4.027 -0.854 4.530 1.00 0.00 H +ATOM 131 HD12 LEU A 7 -3.418 -2.076 5.672 1.00 0.00 H +ATOM 132 HD13 LEU A 7 -2.833 -0.402 5.761 1.00 0.00 H +ATOM 133 HD21 LEU A 7 -1.025 -2.912 5.456 1.00 0.00 H +ATOM 134 HD22 LEU A 7 0.060 -2.128 4.287 1.00 0.00 H +ATOM 135 HD23 LEU A 7 -0.552 -1.214 5.664 1.00 0.00 H +ATOM 136 N LYS A 8 -2.622 -4.312 0.302 1.00 0.00 N +ATOM 137 CA LYS A 8 -2.964 -5.533 -0.446 1.00 0.00 C +ATOM 138 C LYS A 8 -1.748 -6.215 -1.087 1.00 0.00 C +ATOM 139 O LYS A 8 -1.680 -7.440 -1.095 1.00 0.00 O +ATOM 140 CB LYS A 8 -4.040 -5.202 -1.495 1.00 0.00 C +ATOM 141 CG LYS A 8 -5.019 -6.365 -1.703 1.00 0.00 C +ATOM 142 CD LYS A 8 -6.311 -5.884 -2.382 1.00 0.00 C +ATOM 143 CE LYS A 8 -7.429 -6.917 -2.201 1.00 0.00 C +ATOM 144 NZ LYS A 8 -8.063 -6.804 -0.863 1.00 0.00 N +ATOM 145 H LYS A 8 -3.107 -3.448 0.065 1.00 0.00 H +ATOM 146 HA LYS A 8 -3.372 -6.243 0.275 1.00 0.00 H +ATOM 147 HB2 LYS A 8 -4.590 -4.341 -1.167 1.00 0.00 H +ATOM 148 HB3 LYS A 8 -3.577 -4.927 -2.444 1.00 0.00 H +ATOM 149 HG2 LYS A 8 -4.554 -7.109 -2.321 1.00 0.00 H +ATOM 150 HG3 LYS A 8 -5.268 -6.792 -0.732 1.00 0.00 H +ATOM 151 HD2 LYS A 8 -6.615 -4.953 -1.943 1.00 0.00 H +ATOM 152 HD3 LYS A 8 -6.116 -5.737 -3.446 1.00 0.00 H +ATOM 153 HE2 LYS A 8 -8.176 -6.759 -2.955 1.00 0.00 H +ATOM 154 HE3 LYS A 8 -6.998 -7.914 -2.334 1.00 0.00 H +ATOM 155 HZ1 LYS A 8 -7.353 -6.774 -0.143 1.00 0.00 H +ATOM 156 HZ2 LYS A 8 -8.612 -5.957 -0.808 1.00 0.00 H +ATOM 157 HZ3 LYS A 8 -8.670 -7.595 -0.691 1.00 0.00 H +ATOM 158 N ASP A 9 -0.774 -5.426 -1.557 1.00 0.00 N +ATOM 159 CA ASP A 9 0.530 -5.873 -2.078 1.00 0.00 C +ATOM 160 C ASP A 9 1.485 -6.399 -0.981 1.00 0.00 C +ATOM 161 O ASP A 9 2.573 -6.882 -1.301 1.00 0.00 O +ATOM 162 CB ASP A 9 1.212 -4.694 -2.814 1.00 0.00 C +ATOM 163 CG ASP A 9 1.583 -4.991 -4.272 1.00 0.00 C +ATOM 164 OD1 ASP A 9 0.662 -5.343 -5.038 1.00 0.00 O +ATOM 165 OD2 ASP A 9 2.782 -4.809 -4.612 1.00 0.00 O +ATOM 166 H ASP A 9 -0.962 -4.430 -1.556 1.00 0.00 H +ATOM 167 HA ASP A 9 0.358 -6.689 -2.785 1.00 0.00 H +ATOM 168 HB2 ASP A 9 0.541 -3.857 -2.802 1.00 0.00 H +ATOM 169 HB3 ASP A 9 2.121 -4.414 -2.279 1.00 0.00 H +ATOM 170 N GLY A 10 1.125 -6.270 0.304 1.00 0.00 N +ATOM 171 CA GLY A 10 1.936 -6.685 1.451 1.00 0.00 C +ATOM 172 C GLY A 10 2.565 -5.530 2.237 1.00 0.00 C +ATOM 173 O GLY A 10 3.424 -5.778 3.084 1.00 0.00 O +ATOM 174 H GLY A 10 0.211 -5.877 0.508 1.00 0.00 H +ATOM 175 HA2 GLY A 10 1.298 -7.243 2.136 1.00 0.00 H +ATOM 176 HA3 GLY A 10 2.735 -7.352 1.125 1.00 0.00 H +ATOM 177 N GLY A 11 2.184 -4.272 1.973 1.00 0.00 N +ATOM 178 CA GLY A 11 2.732 -3.116 2.683 1.00 0.00 C +ATOM 179 C GLY A 11 4.265 -3.035 2.545 1.00 0.00 C +ATOM 180 O GLY A 11 4.771 -3.134 1.422 1.00 0.00 O +ATOM 181 H GLY A 11 1.507 -4.103 1.237 1.00 0.00 H +ATOM 182 HA2 GLY A 11 2.296 -2.204 2.279 1.00 0.00 H +ATOM 183 HA3 GLY A 11 2.443 -3.201 3.729 1.00 0.00 H +ATOM 184 N PRO A 12 5.029 -2.881 3.651 1.00 0.00 N +ATOM 185 CA PRO A 12 6.491 -2.829 3.600 1.00 0.00 C +ATOM 186 C PRO A 12 7.138 -4.072 2.966 1.00 0.00 C +ATOM 187 O PRO A 12 8.211 -3.949 2.375 1.00 0.00 O +ATOM 188 CB PRO A 12 6.970 -2.642 5.048 1.00 0.00 C +ATOM 189 CG PRO A 12 5.734 -2.162 5.806 1.00 0.00 C +ATOM 190 CD PRO A 12 4.578 -2.795 5.033 1.00 0.00 C +ATOM 191 HA PRO A 12 6.783 -1.953 3.019 1.00 0.00 H +ATOM 192 HB2 PRO A 12 7.325 -3.570 5.452 1.00 0.00 H +ATOM 193 HB3 PRO A 12 7.775 -1.907 5.107 1.00 0.00 H +ATOM 194 HG2 PRO A 12 5.750 -2.505 6.823 1.00 0.00 H +ATOM 195 HG3 PRO A 12 5.663 -1.077 5.744 1.00 0.00 H +ATOM 196 HD2 PRO A 12 4.362 -3.773 5.418 1.00 0.00 H +ATOM 197 HD3 PRO A 12 3.684 -2.179 5.140 1.00 0.00 H +ATOM 198 N SER A 13 6.492 -5.249 3.030 1.00 0.00 N +ATOM 199 CA SER A 13 7.032 -6.510 2.502 1.00 0.00 C +ATOM 200 C SER A 13 7.252 -6.475 0.991 1.00 0.00 C +ATOM 201 O SER A 13 8.198 -7.085 0.501 1.00 0.00 O +ATOM 202 CB SER A 13 6.085 -7.675 2.806 1.00 0.00 C +ATOM 203 OG SER A 13 5.872 -7.807 4.197 1.00 0.00 O +ATOM 204 H SER A 13 5.578 -5.299 3.472 1.00 0.00 H +ATOM 205 HA SER A 13 7.994 -6.707 2.977 1.00 0.00 H +ATOM 206 HB2 SER A 13 5.144 -7.497 2.322 1.00 0.00 H +ATOM 207 HB3 SER A 13 6.513 -8.600 2.417 1.00 0.00 H +ATOM 208 HG SER A 13 6.506 -8.436 4.551 1.00 0.00 H +ATOM 209 N SER A 14 6.398 -5.751 0.257 1.00 0.00 N +ATOM 210 CA SER A 14 6.540 -5.569 -1.189 1.00 0.00 C +ATOM 211 C SER A 14 7.723 -4.673 -1.582 1.00 0.00 C +ATOM 212 O SER A 14 8.110 -4.660 -2.750 1.00 0.00 O +ATOM 213 CB SER A 14 5.248 -4.986 -1.771 1.00 0.00 C +ATOM 214 OG SER A 14 4.583 -5.979 -2.515 1.00 0.00 O +ATOM 215 H SER A 14 5.654 -5.262 0.743 1.00 0.00 H +ATOM 216 HA SER A 14 6.710 -6.543 -1.651 1.00 0.00 H +ATOM 217 HB2 SER A 14 4.614 -4.652 -0.972 1.00 0.00 H +ATOM 218 HB3 SER A 14 5.507 -4.180 -2.451 1.00 0.00 H +ATOM 219 HG SER A 14 3.809 -6.342 -2.003 1.00 0.00 H +ATOM 220 N GLY A 15 8.298 -3.917 -0.635 1.00 0.00 N +ATOM 221 CA GLY A 15 9.467 -3.068 -0.877 1.00 0.00 C +ATOM 222 C GLY A 15 9.130 -1.720 -1.522 1.00 0.00 C +ATOM 223 O GLY A 15 9.898 -1.231 -2.349 1.00 0.00 O +ATOM 224 H GLY A 15 7.970 -4.008 0.322 1.00 0.00 H +ATOM 225 HA2 GLY A 15 9.963 -2.879 0.074 1.00 0.00 H +ATOM 226 HA3 GLY A 15 10.166 -3.596 -1.527 1.00 0.00 H +ATOM 227 N ARG A 16 7.986 -1.120 -1.164 1.00 0.00 N +ATOM 228 CA ARG A 16 7.493 0.155 -1.712 1.00 0.00 C +ATOM 229 C ARG A 16 6.893 1.052 -0.617 1.00 0.00 C +ATOM 230 O ARG A 16 6.228 0.526 0.276 1.00 0.00 O +ATOM 231 CB ARG A 16 6.486 -0.108 -2.852 1.00 0.00 C +ATOM 232 CG ARG A 16 5.371 -1.121 -2.515 1.00 0.00 C +ATOM 233 CD ARG A 16 4.390 -1.352 -3.682 1.00 0.00 C +ATOM 234 NE ARG A 16 4.505 -2.695 -4.282 1.00 0.00 N +ATOM 235 CZ ARG A 16 5.417 -3.159 -5.117 1.00 0.00 C +ATOM 236 NH1 ARG A 16 6.381 -2.403 -5.595 1.00 0.00 N +ATOM 237 NH2 ARG A 16 5.336 -4.410 -5.482 1.00 0.00 N +ATOM 238 H ARG A 16 7.428 -1.572 -0.451 1.00 0.00 H +ATOM 239 HA ARG A 16 8.348 0.677 -2.139 1.00 0.00 H +ATOM 240 HB2 ARG A 16 6.022 0.825 -3.109 1.00 0.00 H +ATOM 241 HB3 ARG A 16 7.046 -0.475 -3.709 1.00 0.00 H +ATOM 242 HG2 ARG A 16 5.827 -2.059 -2.261 1.00 0.00 H +ATOM 243 HG3 ARG A 16 4.805 -0.751 -1.666 1.00 0.00 H +ATOM 244 HD2 ARG A 16 3.389 -1.227 -3.316 1.00 0.00 H +ATOM 245 HD3 ARG A 16 4.531 -0.590 -4.449 1.00 0.00 H +ATOM 246 HE ARG A 16 3.776 -3.394 -4.104 1.00 0.00 H +ATOM 247 HH11 ARG A 16 6.393 -1.440 -5.320 1.00 0.00 H +ATOM 248 HH12 ARG A 16 7.062 -2.775 -6.231 1.00 0.00 H +ATOM 249 HH21 ARG A 16 4.489 -4.903 -5.147 1.00 0.00 H +ATOM 250 HH22 ARG A 16 6.023 -4.858 -6.055 1.00 0.00 H +ATOM 251 N PRO A 17 7.075 2.387 -0.684 1.00 0.00 N +ATOM 252 CA PRO A 17 6.538 3.322 0.308 1.00 0.00 C +ATOM 253 C PRO A 17 5.011 3.481 0.186 1.00 0.00 C +ATOM 254 O PRO A 17 4.452 3.191 -0.874 1.00 0.00 O +ATOM 255 CB PRO A 17 7.258 4.647 0.031 1.00 0.00 C +ATOM 256 CG PRO A 17 7.545 4.595 -1.468 1.00 0.00 C +ATOM 257 CD PRO A 17 7.782 3.109 -1.733 1.00 0.00 C +ATOM 258 HA PRO A 17 6.789 2.972 1.310 1.00 0.00 H +ATOM 259 HB2 PRO A 17 6.629 5.482 0.272 1.00 0.00 H +ATOM 260 HB3 PRO A 17 8.199 4.671 0.582 1.00 0.00 H +ATOM 261 HG2 PRO A 17 6.707 4.957 -2.032 1.00 0.00 H +ATOM 262 HG3 PRO A 17 8.418 5.192 -1.732 1.00 0.00 H +ATOM 263 HD2 PRO A 17 7.395 2.837 -2.696 1.00 0.00 H +ATOM 264 HD3 PRO A 17 8.849 2.890 -1.670 1.00 0.00 H +ATOM 265 N PRO A 18 4.330 3.962 1.245 1.00 0.00 N +ATOM 266 CA PRO A 18 2.890 4.179 1.221 1.00 0.00 C +ATOM 267 C PRO A 18 2.501 5.385 0.341 1.00 0.00 C +ATOM 268 O PRO A 18 3.270 6.342 0.211 1.00 0.00 O +ATOM 269 CB PRO A 18 2.483 4.404 2.680 1.00 0.00 C +ATOM 270 CG PRO A 18 3.743 4.989 3.313 1.00 0.00 C +ATOM 271 CD PRO A 18 4.873 4.294 2.554 1.00 0.00 C +ATOM 272 HA PRO A 18 2.410 3.277 0.849 1.00 0.00 H +ATOM 273 HB2 PRO A 18 1.664 5.093 2.748 1.00 0.00 H +ATOM 274 HB3 PRO A 18 2.248 3.446 3.144 1.00 0.00 H +ATOM 275 HG2 PRO A 18 3.784 6.052 3.175 1.00 0.00 H +ATOM 276 HG3 PRO A 18 3.788 4.783 4.383 1.00 0.00 H +ATOM 277 HD2 PRO A 18 5.715 4.952 2.453 1.00 0.00 H +ATOM 278 HD3 PRO A 18 5.153 3.376 3.072 1.00 0.00 H +ATOM 279 N PRO A 19 1.280 5.377 -0.223 1.00 0.00 N +ATOM 280 CA PRO A 19 0.762 6.450 -1.060 1.00 0.00 C +ATOM 281 C PRO A 19 0.382 7.663 -0.198 1.00 0.00 C +ATOM 282 O PRO A 19 -0.624 7.631 0.512 1.00 0.00 O +ATOM 283 CB PRO A 19 -0.435 5.840 -1.790 1.00 0.00 C +ATOM 284 CG PRO A 19 -0.951 4.783 -0.812 1.00 0.00 C +ATOM 285 CD PRO A 19 0.299 4.311 -0.088 1.00 0.00 C +ATOM 286 HA PRO A 19 1.508 6.751 -1.796 1.00 0.00 H +ATOM 287 HB2 PRO A 19 -1.185 6.582 -1.983 1.00 0.00 H +ATOM 288 HB3 PRO A 19 -0.088 5.348 -2.699 1.00 0.00 H +ATOM 289 HG2 PRO A 19 -1.652 5.211 -0.122 1.00 0.00 H +ATOM 290 HG3 PRO A 19 -1.423 3.952 -1.333 1.00 0.00 H +ATOM 291 HD2 PRO A 19 0.083 4.134 0.948 1.00 0.00 H +ATOM 292 HD3 PRO A 19 0.683 3.414 -0.572 1.00 0.00 H +ATOM 293 N SER A 20 1.217 8.708 -0.251 1.00 0.00 N +ATOM 294 CA SER A 20 0.998 10.004 0.410 1.00 0.00 C +ATOM 295 C SER A 20 0.315 10.992 -0.534 1.00 0.00 C +ATOM 296 O SER A 20 0.887 11.215 -1.624 1.00 0.00 O +ATOM 297 CB SER A 20 2.322 10.595 0.894 1.00 0.00 C +ATOM 298 OG SER A 20 2.966 9.680 1.760 1.00 0.00 O +ATOM 299 OXT SER A 20 -0.750 11.510 -0.139 1.00 0.00 O +ATOM 300 H SER A 20 1.987 8.656 -0.900 1.00 0.00 H +ATOM 301 HA SER A 20 0.337 9.875 1.267 1.00 0.00 H +ATOM 302 HB2 SER A 20 2.954 10.792 0.050 1.00 0.00 H +ATOM 303 HB3 SER A 20 2.127 11.529 1.425 1.00 0.00 H +ATOM 304 HG SER A 20 3.007 8.832 1.306 1.00 0.00 H +TER 305 SER A 20 +ENDMDL +MODEL 22 +ATOM 1 N ASN A 1 -7.147 6.420 -0.321 1.00 0.00 N +ATOM 2 CA ASN A 1 -7.735 5.239 -1.002 1.00 0.00 C +ATOM 3 C ASN A 1 -6.654 4.233 -1.423 1.00 0.00 C +ATOM 4 O ASN A 1 -6.828 3.043 -1.189 1.00 0.00 O +ATOM 5 CB ASN A 1 -8.631 5.670 -2.180 1.00 0.00 C +ATOM 6 CG ASN A 1 -7.791 6.178 -3.342 1.00 0.00 C +ATOM 7 OD1 ASN A 1 -6.938 7.030 -3.134 1.00 0.00 O +ATOM 8 ND2 ASN A 1 -7.925 5.610 -4.527 1.00 0.00 N +ATOM 9 H1 ASN A 1 -6.444 6.132 0.344 1.00 0.00 H +ATOM 10 H2 ASN A 1 -6.730 7.032 -1.016 1.00 0.00 H +ATOM 11 H3 ASN A 1 -7.869 6.934 0.166 1.00 0.00 H +ATOM 12 HA ASN A 1 -8.365 4.712 -0.285 1.00 0.00 H +ATOM 13 HB2 ASN A 1 -9.211 4.828 -2.507 1.00 0.00 H +ATOM 14 HB3 ASN A 1 -9.301 6.470 -1.860 1.00 0.00 H +ATOM 15 HD21 ASN A 1 -8.593 4.875 -4.704 1.00 0.00 H +ATOM 16 HD22 ASN A 1 -7.334 5.964 -5.263 1.00 0.00 H +ATOM 17 N LEU A 2 -5.522 4.698 -1.980 1.00 0.00 N +ATOM 18 CA LEU A 2 -4.409 3.863 -2.457 1.00 0.00 C +ATOM 19 C LEU A 2 -3.793 2.972 -1.363 1.00 0.00 C +ATOM 20 O LEU A 2 -3.233 1.920 -1.669 1.00 0.00 O +ATOM 21 CB LEU A 2 -3.326 4.784 -3.046 1.00 0.00 C +ATOM 22 CG LEU A 2 -3.749 5.553 -4.315 1.00 0.00 C +ATOM 23 CD1 LEU A 2 -2.850 6.776 -4.507 1.00 0.00 C +ATOM 24 CD2 LEU A 2 -3.680 4.665 -5.559 1.00 0.00 C +ATOM 25 H LEU A 2 -5.460 5.679 -2.226 1.00 0.00 H +ATOM 26 HA LEU A 2 -4.775 3.199 -3.243 1.00 0.00 H +ATOM 27 HB2 LEU A 2 -3.054 5.502 -2.296 1.00 0.00 H +ATOM 28 HB3 LEU A 2 -2.440 4.192 -3.280 1.00 0.00 H +ATOM 29 HG LEU A 2 -4.770 5.913 -4.203 1.00 0.00 H +ATOM 30 HD11 LEU A 2 -2.889 7.409 -3.621 1.00 0.00 H +ATOM 31 HD12 LEU A 2 -1.821 6.467 -4.687 1.00 0.00 H +ATOM 32 HD13 LEU A 2 -3.206 7.360 -5.357 1.00 0.00 H +ATOM 33 HD21 LEU A 2 -2.700 4.193 -5.633 1.00 0.00 H +ATOM 34 HD22 LEU A 2 -4.449 3.893 -5.510 1.00 0.00 H +ATOM 35 HD23 LEU A 2 -3.847 5.268 -6.452 1.00 0.00 H +ATOM 36 N TYR A 3 -3.931 3.366 -0.089 1.00 0.00 N +ATOM 37 CA TYR A 3 -3.447 2.623 1.074 1.00 0.00 C +ATOM 38 C TYR A 3 -3.964 1.180 1.109 1.00 0.00 C +ATOM 39 O TYR A 3 -3.229 0.272 1.491 1.00 0.00 O +ATOM 40 CB TYR A 3 -3.837 3.358 2.368 1.00 0.00 C +ATOM 41 CG TYR A 3 -2.695 3.445 3.358 1.00 0.00 C +ATOM 42 CD1 TYR A 3 -2.319 2.321 4.114 1.00 0.00 C +ATOM 43 CD2 TYR A 3 -1.990 4.653 3.499 1.00 0.00 C +ATOM 44 CE1 TYR A 3 -1.242 2.408 5.016 1.00 0.00 C +ATOM 45 CE2 TYR A 3 -0.914 4.751 4.400 1.00 0.00 C +ATOM 46 CZ TYR A 3 -0.539 3.622 5.162 1.00 0.00 C +ATOM 47 OH TYR A 3 0.485 3.702 6.054 1.00 0.00 O +ATOM 48 H TYR A 3 -4.371 4.256 0.070 1.00 0.00 H +ATOM 49 HA TYR A 3 -2.359 2.584 1.015 1.00 0.00 H +ATOM 50 HB2 TYR A 3 -4.150 4.353 2.117 1.00 0.00 H +ATOM 51 HB3 TYR A 3 -4.678 2.850 2.844 1.00 0.00 H +ATOM 52 HD1 TYR A 3 -2.858 1.392 4.001 1.00 0.00 H +ATOM 53 HD2 TYR A 3 -2.289 5.504 2.906 1.00 0.00 H +ATOM 54 HE1 TYR A 3 -0.942 1.554 5.604 1.00 0.00 H +ATOM 55 HE2 TYR A 3 -0.364 5.678 4.516 1.00 0.00 H +ATOM 56 HH TYR A 3 0.190 4.071 6.890 1.00 0.00 H +ATOM 57 N ILE A 4 -5.213 0.963 0.670 1.00 0.00 N +ATOM 58 CA ILE A 4 -5.823 -0.366 0.587 1.00 0.00 C +ATOM 59 C ILE A 4 -5.035 -1.235 -0.401 1.00 0.00 C +ATOM 60 O ILE A 4 -4.639 -2.349 -0.066 1.00 0.00 O +ATOM 61 CB ILE A 4 -7.315 -0.267 0.189 1.00 0.00 C +ATOM 62 CG1 ILE A 4 -8.131 0.588 1.186 1.00 0.00 C +ATOM 63 CG2 ILE A 4 -7.906 -1.688 0.098 1.00 0.00 C +ATOM 64 CD1 ILE A 4 -9.426 1.134 0.567 1.00 0.00 C +ATOM 65 H ILE A 4 -5.742 1.753 0.322 1.00 0.00 H +ATOM 66 HA ILE A 4 -5.754 -0.841 1.568 1.00 0.00 H +ATOM 67 HB ILE A 4 -7.380 0.200 -0.796 1.00 0.00 H +ATOM 68 HG12 ILE A 4 -8.384 -0.019 2.034 1.00 0.00 H +ATOM 69 HG13 ILE A 4 -7.554 1.453 1.513 1.00 0.00 H +ATOM 70 HG21 ILE A 4 -7.613 -2.155 -0.842 1.00 0.00 H +ATOM 71 HG22 ILE A 4 -7.546 -2.302 0.925 1.00 0.00 H +ATOM 72 HG23 ILE A 4 -8.995 -1.665 0.139 1.00 0.00 H +ATOM 73 HD11 ILE A 4 -9.186 1.834 -0.233 1.00 0.00 H +ATOM 74 HD12 ILE A 4 -10.035 0.325 0.163 1.00 0.00 H +ATOM 75 HD13 ILE A 4 -10.000 1.657 1.332 1.00 0.00 H +ATOM 76 N GLN A 5 -4.770 -0.707 -1.602 1.00 0.00 N +ATOM 77 CA GLN A 5 -4.004 -1.401 -2.634 1.00 0.00 C +ATOM 78 C GLN A 5 -2.557 -1.659 -2.193 1.00 0.00 C +ATOM 79 O GLN A 5 -2.034 -2.749 -2.416 1.00 0.00 O +ATOM 80 CB GLN A 5 -4.064 -0.600 -3.951 1.00 0.00 C +ATOM 81 CG GLN A 5 -4.101 -1.517 -5.182 1.00 0.00 C +ATOM 82 CD GLN A 5 -5.437 -2.250 -5.294 1.00 0.00 C +ATOM 83 OE1 GLN A 5 -6.433 -1.708 -5.744 1.00 0.00 O +ATOM 84 NE2 GLN A 5 -5.519 -3.495 -4.863 1.00 0.00 N +ATOM 85 H GLN A 5 -5.062 0.244 -1.779 1.00 0.00 H +ATOM 86 HA GLN A 5 -4.475 -2.372 -2.776 1.00 0.00 H +ATOM 87 HB2 GLN A 5 -4.948 0.009 -3.946 1.00 0.00 H +ATOM 88 HB3 GLN A 5 -3.195 0.059 -4.019 1.00 0.00 H +ATOM 89 HG2 GLN A 5 -3.954 -0.923 -6.064 1.00 0.00 H +ATOM 90 HG3 GLN A 5 -3.280 -2.234 -5.138 1.00 0.00 H +ATOM 91 HE21 GLN A 5 -4.727 -3.993 -4.495 1.00 0.00 H +ATOM 92 HE22 GLN A 5 -6.432 -3.902 -4.971 1.00 0.00 H +ATOM 93 N TRP A 6 -1.937 -0.681 -1.518 1.00 0.00 N +ATOM 94 CA TRP A 6 -0.600 -0.811 -0.937 1.00 0.00 C +ATOM 95 C TRP A 6 -0.532 -1.917 0.130 1.00 0.00 C +ATOM 96 O TRP A 6 0.363 -2.764 0.091 1.00 0.00 O +ATOM 97 CB TRP A 6 -0.164 0.545 -0.369 1.00 0.00 C +ATOM 98 CG TRP A 6 1.216 0.547 0.205 1.00 0.00 C +ATOM 99 CD1 TRP A 6 2.366 0.594 -0.508 1.00 0.00 C +ATOM 100 CD2 TRP A 6 1.619 0.456 1.606 1.00 0.00 C +ATOM 101 NE1 TRP A 6 3.444 0.504 0.353 1.00 0.00 N +ATOM 102 CE2 TRP A 6 3.043 0.441 1.664 1.00 0.00 C +ATOM 103 CE3 TRP A 6 0.931 0.375 2.834 1.00 0.00 C +ATOM 104 CZ2 TRP A 6 3.753 0.369 2.869 1.00 0.00 C +ATOM 105 CZ3 TRP A 6 1.631 0.287 4.054 1.00 0.00 C +ATOM 106 CH2 TRP A 6 3.038 0.291 4.074 1.00 0.00 C +ATOM 107 H TRP A 6 -2.437 0.199 -1.406 1.00 0.00 H +ATOM 108 HA TRP A 6 0.095 -1.089 -1.730 1.00 0.00 H +ATOM 109 HB2 TRP A 6 -0.202 1.270 -1.159 1.00 0.00 H +ATOM 110 HB3 TRP A 6 -0.861 0.845 0.413 1.00 0.00 H +ATOM 111 HD1 TRP A 6 2.421 0.666 -1.584 1.00 0.00 H +ATOM 112 HE1 TRP A 6 4.427 0.496 0.079 1.00 0.00 H +ATOM 113 HE3 TRP A 6 -0.148 0.387 2.825 1.00 0.00 H +ATOM 114 HZ2 TRP A 6 4.834 0.356 2.853 1.00 0.00 H +ATOM 115 HZ3 TRP A 6 1.088 0.221 4.984 1.00 0.00 H +ATOM 116 HH2 TRP A 6 3.566 0.226 5.014 1.00 0.00 H +ATOM 117 N LEU A 7 -1.493 -1.950 1.062 1.00 0.00 N +ATOM 118 CA LEU A 7 -1.591 -3.020 2.054 1.00 0.00 C +ATOM 119 C LEU A 7 -1.887 -4.379 1.416 1.00 0.00 C +ATOM 120 O LEU A 7 -1.332 -5.379 1.867 1.00 0.00 O +ATOM 121 CB LEU A 7 -2.648 -2.680 3.119 1.00 0.00 C +ATOM 122 CG LEU A 7 -2.204 -1.596 4.116 1.00 0.00 C +ATOM 123 CD1 LEU A 7 -3.353 -1.276 5.075 1.00 0.00 C +ATOM 124 CD2 LEU A 7 -0.992 -2.019 4.955 1.00 0.00 C +ATOM 125 H LEU A 7 -2.199 -1.215 1.063 1.00 0.00 H +ATOM 126 HA LEU A 7 -0.619 -3.132 2.532 1.00 0.00 H +ATOM 127 HB2 LEU A 7 -3.533 -2.337 2.619 1.00 0.00 H +ATOM 128 HB3 LEU A 7 -2.884 -3.585 3.682 1.00 0.00 H +ATOM 129 HG LEU A 7 -1.950 -0.690 3.572 1.00 0.00 H +ATOM 130 HD11 LEU A 7 -4.247 -1.017 4.508 1.00 0.00 H +ATOM 131 HD12 LEU A 7 -3.565 -2.140 5.705 1.00 0.00 H +ATOM 132 HD13 LEU A 7 -3.079 -0.432 5.708 1.00 0.00 H +ATOM 133 HD21 LEU A 7 -1.200 -2.960 5.466 1.00 0.00 H +ATOM 134 HD22 LEU A 7 -0.115 -2.141 4.324 1.00 0.00 H +ATOM 135 HD23 LEU A 7 -0.770 -1.251 5.695 1.00 0.00 H +ATOM 136 N LYS A 8 -2.704 -4.425 0.351 1.00 0.00 N +ATOM 137 CA LYS A 8 -3.024 -5.667 -0.363 1.00 0.00 C +ATOM 138 C LYS A 8 -1.783 -6.379 -0.902 1.00 0.00 C +ATOM 139 O LYS A 8 -1.714 -7.603 -0.824 1.00 0.00 O +ATOM 140 CB LYS A 8 -4.029 -5.384 -1.498 1.00 0.00 C +ATOM 141 CG LYS A 8 -4.718 -6.666 -1.991 1.00 0.00 C +ATOM 142 CD LYS A 8 -5.727 -7.192 -0.954 1.00 0.00 C +ATOM 143 CE LYS A 8 -5.697 -8.722 -0.865 1.00 0.00 C +ATOM 144 NZ LYS A 8 -6.010 -9.184 0.509 1.00 0.00 N +ATOM 145 H LYS A 8 -3.166 -3.563 0.071 1.00 0.00 H +ATOM 146 HA LYS A 8 -3.461 -6.347 0.365 1.00 0.00 H +ATOM 147 HB2 LYS A 8 -4.778 -4.706 -1.137 1.00 0.00 H +ATOM 148 HB3 LYS A 8 -3.501 -4.924 -2.335 1.00 0.00 H +ATOM 149 HG2 LYS A 8 -5.236 -6.455 -2.907 1.00 0.00 H +ATOM 150 HG3 LYS A 8 -3.961 -7.422 -2.206 1.00 0.00 H +ATOM 151 HD2 LYS A 8 -5.484 -6.782 0.007 1.00 0.00 H +ATOM 152 HD3 LYS A 8 -6.729 -6.861 -1.233 1.00 0.00 H +ATOM 153 HE2 LYS A 8 -6.422 -9.127 -1.544 1.00 0.00 H +ATOM 154 HE3 LYS A 8 -4.703 -9.081 -1.147 1.00 0.00 H +ATOM 155 HZ1 LYS A 8 -5.172 -9.166 1.076 1.00 0.00 H +ATOM 156 HZ2 LYS A 8 -6.699 -8.578 0.933 1.00 0.00 H +ATOM 157 HZ3 LYS A 8 -6.369 -10.130 0.493 1.00 0.00 H +ATOM 158 N ASP A 9 -0.814 -5.616 -1.411 1.00 0.00 N +ATOM 159 CA ASP A 9 0.466 -6.130 -1.902 1.00 0.00 C +ATOM 160 C ASP A 9 1.395 -6.627 -0.772 1.00 0.00 C +ATOM 161 O ASP A 9 2.377 -7.317 -1.041 1.00 0.00 O +ATOM 162 CB ASP A 9 1.145 -5.018 -2.722 1.00 0.00 C +ATOM 163 CG ASP A 9 2.033 -5.572 -3.840 1.00 0.00 C +ATOM 164 OD1 ASP A 9 3.217 -5.858 -3.563 1.00 0.00 O +ATOM 165 OD2 ASP A 9 1.516 -5.670 -4.975 1.00 0.00 O +ATOM 166 H ASP A 9 -0.985 -4.619 -1.475 1.00 0.00 H +ATOM 167 HA ASP A 9 0.267 -6.973 -2.567 1.00 0.00 H +ATOM 168 HB2 ASP A 9 0.385 -4.401 -3.160 1.00 0.00 H +ATOM 169 HB3 ASP A 9 1.730 -4.377 -2.062 1.00 0.00 H +ATOM 170 N GLY A 10 1.124 -6.267 0.493 1.00 0.00 N +ATOM 171 CA GLY A 10 1.948 -6.626 1.656 1.00 0.00 C +ATOM 172 C GLY A 10 2.533 -5.439 2.437 1.00 0.00 C +ATOM 173 O GLY A 10 3.358 -5.653 3.329 1.00 0.00 O +ATOM 174 H GLY A 10 0.279 -5.730 0.656 1.00 0.00 H +ATOM 175 HA2 GLY A 10 1.331 -7.206 2.341 1.00 0.00 H +ATOM 176 HA3 GLY A 10 2.781 -7.257 1.345 1.00 0.00 H +ATOM 177 N GLY A 11 2.128 -4.200 2.126 1.00 0.00 N +ATOM 178 CA GLY A 11 2.561 -2.998 2.829 1.00 0.00 C +ATOM 179 C GLY A 11 4.092 -2.817 2.806 1.00 0.00 C +ATOM 180 O GLY A 11 4.667 -2.692 1.724 1.00 0.00 O +ATOM 181 H GLY A 11 1.538 -4.070 1.311 1.00 0.00 H +ATOM 182 HA2 GLY A 11 2.108 -2.134 2.348 1.00 0.00 H +ATOM 183 HA3 GLY A 11 2.187 -3.048 3.848 1.00 0.00 H +ATOM 184 N PRO A 12 4.785 -2.805 3.967 1.00 0.00 N +ATOM 185 CA PRO A 12 6.246 -2.706 4.011 1.00 0.00 C +ATOM 186 C PRO A 12 6.976 -3.836 3.263 1.00 0.00 C +ATOM 187 O PRO A 12 8.113 -3.645 2.838 1.00 0.00 O +ATOM 188 CB PRO A 12 6.631 -2.710 5.496 1.00 0.00 C +ATOM 189 CG PRO A 12 5.341 -2.359 6.233 1.00 0.00 C +ATOM 190 CD PRO A 12 4.243 -2.888 5.316 1.00 0.00 C +ATOM 191 HA PRO A 12 6.540 -1.751 3.570 1.00 0.00 H +ATOM 192 HB2 PRO A 12 6.984 -3.679 5.793 1.00 0.00 H +ATOM 193 HB3 PRO A 12 7.415 -1.982 5.705 1.00 0.00 H +ATOM 194 HG2 PRO A 12 5.305 -2.841 7.191 1.00 0.00 H +ATOM 195 HG3 PRO A 12 5.252 -1.274 6.318 1.00 0.00 H +ATOM 196 HD2 PRO A 12 4.007 -3.905 5.563 1.00 0.00 H +ATOM 197 HD3 PRO A 12 3.346 -2.281 5.435 1.00 0.00 H +ATOM 198 N SER A 13 6.332 -4.997 3.071 1.00 0.00 N +ATOM 199 CA SER A 13 6.911 -6.174 2.405 1.00 0.00 C +ATOM 200 C SER A 13 6.618 -6.217 0.896 1.00 0.00 C +ATOM 201 O SER A 13 6.579 -7.294 0.305 1.00 0.00 O +ATOM 202 CB SER A 13 6.458 -7.466 3.098 1.00 0.00 C +ATOM 203 OG SER A 13 6.899 -7.491 4.441 1.00 0.00 O +ATOM 204 H SER A 13 5.358 -5.057 3.358 1.00 0.00 H +ATOM 205 HA SER A 13 7.997 -6.129 2.500 1.00 0.00 H +ATOM 206 HB2 SER A 13 5.387 -7.520 3.078 1.00 0.00 H +ATOM 207 HB3 SER A 13 6.893 -8.322 2.581 1.00 0.00 H +ATOM 208 HG SER A 13 6.357 -6.887 4.951 1.00 0.00 H +ATOM 209 N SER A 14 6.432 -5.052 0.265 1.00 0.00 N +ATOM 210 CA SER A 14 6.076 -4.919 -1.157 1.00 0.00 C +ATOM 211 C SER A 14 7.132 -4.174 -1.984 1.00 0.00 C +ATOM 212 O SER A 14 6.929 -3.921 -3.169 1.00 0.00 O +ATOM 213 CB SER A 14 4.715 -4.232 -1.266 1.00 0.00 C +ATOM 214 OG SER A 14 3.775 -4.945 -0.496 1.00 0.00 O +ATOM 215 H SER A 14 6.365 -4.227 0.848 1.00 0.00 H +ATOM 216 HA SER A 14 5.970 -5.909 -1.604 1.00 0.00 H +ATOM 217 HB2 SER A 14 4.790 -3.226 -0.900 1.00 0.00 H +ATOM 218 HB3 SER A 14 4.396 -4.200 -2.306 1.00 0.00 H +ATOM 219 HG SER A 14 3.597 -5.804 -0.924 1.00 0.00 H +ATOM 220 N GLY A 15 8.259 -3.794 -1.363 1.00 0.00 N +ATOM 221 CA GLY A 15 9.337 -3.046 -2.017 1.00 0.00 C +ATOM 222 C GLY A 15 8.945 -1.615 -2.403 1.00 0.00 C +ATOM 223 O GLY A 15 9.471 -1.083 -3.379 1.00 0.00 O +ATOM 224 H GLY A 15 8.370 -4.078 -0.400 1.00 0.00 H +ATOM 225 HA2 GLY A 15 10.194 -2.991 -1.346 1.00 0.00 H +ATOM 226 HA3 GLY A 15 9.646 -3.574 -2.921 1.00 0.00 H +ATOM 227 N ARG A 16 8.005 -1.001 -1.666 1.00 0.00 N +ATOM 228 CA ARG A 16 7.468 0.335 -1.947 1.00 0.00 C +ATOM 229 C ARG A 16 6.939 1.037 -0.683 1.00 0.00 C +ATOM 230 O ARG A 16 6.297 0.382 0.141 1.00 0.00 O +ATOM 231 CB ARG A 16 6.363 0.241 -3.014 1.00 0.00 C +ATOM 232 CG ARG A 16 5.268 -0.802 -2.713 1.00 0.00 C +ATOM 233 CD ARG A 16 4.161 -0.846 -3.770 1.00 0.00 C +ATOM 234 NE ARG A 16 4.681 -1.237 -5.095 1.00 0.00 N +ATOM 235 CZ ARG A 16 5.016 -0.436 -6.099 1.00 0.00 C +ATOM 236 NH1 ARG A 16 4.910 0.871 -6.014 1.00 0.00 N +ATOM 237 NH2 ARG A 16 5.479 -0.936 -7.220 1.00 0.00 N +ATOM 238 H ARG A 16 7.638 -1.499 -0.867 1.00 0.00 H +ATOM 239 HA ARG A 16 8.282 0.927 -2.362 1.00 0.00 H +ATOM 240 HB2 ARG A 16 5.895 1.203 -3.097 1.00 0.00 H +ATOM 241 HB3 ARG A 16 6.844 -0.019 -3.959 1.00 0.00 H +ATOM 242 HG2 ARG A 16 5.727 -1.771 -2.660 1.00 0.00 H +ATOM 243 HG3 ARG A 16 4.810 -0.587 -1.750 1.00 0.00 H +ATOM 244 HD2 ARG A 16 3.418 -1.558 -3.465 1.00 0.00 H +ATOM 245 HD3 ARG A 16 3.662 0.123 -3.814 1.00 0.00 H +ATOM 246 HE ARG A 16 4.831 -2.228 -5.227 1.00 0.00 H +ATOM 247 HH11 ARG A 16 4.571 1.257 -5.151 1.00 0.00 H +ATOM 248 HH12 ARG A 16 5.171 1.470 -6.773 1.00 0.00 H +ATOM 249 HH21 ARG A 16 5.580 -1.932 -7.319 1.00 0.00 H +ATOM 250 HH22 ARG A 16 5.740 -0.329 -7.975 1.00 0.00 H +ATOM 251 N PRO A 17 7.146 2.361 -0.541 1.00 0.00 N +ATOM 252 CA PRO A 17 6.642 3.137 0.592 1.00 0.00 C +ATOM 253 C PRO A 17 5.117 3.361 0.511 1.00 0.00 C +ATOM 254 O PRO A 17 4.532 3.158 -0.557 1.00 0.00 O +ATOM 255 CB PRO A 17 7.416 4.460 0.520 1.00 0.00 C +ATOM 256 CG PRO A 17 7.671 4.652 -0.972 1.00 0.00 C +ATOM 257 CD PRO A 17 7.829 3.228 -1.493 1.00 0.00 C +ATOM 258 HA PRO A 17 6.878 2.623 1.524 1.00 0.00 H +ATOM 259 HB2 PRO A 17 6.830 5.268 0.915 1.00 0.00 H +ATOM 260 HB3 PRO A 17 8.368 4.346 1.042 1.00 0.00 H +ATOM 261 HG2 PRO A 17 6.841 5.143 -1.443 1.00 0.00 H +ATOM 262 HG3 PRO A 17 8.569 5.244 -1.152 1.00 0.00 H +ATOM 263 HD2 PRO A 17 7.382 3.137 -2.464 1.00 0.00 H +ATOM 264 HD3 PRO A 17 8.886 2.963 -1.532 1.00 0.00 H +ATOM 265 N PRO A 18 4.468 3.790 1.613 1.00 0.00 N +ATOM 266 CA PRO A 18 3.035 4.076 1.629 1.00 0.00 C +ATOM 267 C PRO A 18 2.678 5.275 0.730 1.00 0.00 C +ATOM 268 O PRO A 18 3.501 6.177 0.557 1.00 0.00 O +ATOM 269 CB PRO A 18 2.681 4.342 3.098 1.00 0.00 C +ATOM 270 CG PRO A 18 3.998 4.812 3.711 1.00 0.00 C +ATOM 271 CD PRO A 18 5.049 4.030 2.928 1.00 0.00 C +ATOM 272 HA PRO A 18 2.502 3.188 1.294 1.00 0.00 H +ATOM 273 HB2 PRO A 18 1.929 5.103 3.178 1.00 0.00 H +ATOM 274 HB3 PRO A 18 2.369 3.411 3.573 1.00 0.00 H +ATOM 275 HG2 PRO A 18 4.128 5.869 3.579 1.00 0.00 H +ATOM 276 HG3 PRO A 18 4.048 4.597 4.778 1.00 0.00 H +ATOM 277 HD2 PRO A 18 5.952 4.603 2.839 1.00 0.00 H +ATOM 278 HD3 PRO A 18 5.240 3.074 3.417 1.00 0.00 H +ATOM 279 N PRO A 19 1.456 5.312 0.158 1.00 0.00 N +ATOM 280 CA PRO A 19 1.020 6.389 -0.730 1.00 0.00 C +ATOM 281 C PRO A 19 0.573 7.658 0.014 1.00 0.00 C +ATOM 282 O PRO A 19 0.781 8.756 -0.501 1.00 0.00 O +ATOM 283 CB PRO A 19 -0.147 5.799 -1.525 1.00 0.00 C +ATOM 284 CG PRO A 19 -0.739 4.750 -0.582 1.00 0.00 C +ATOM 285 CD PRO A 19 0.461 4.252 0.217 1.00 0.00 C +ATOM 286 HA PRO A 19 1.824 6.660 -1.417 1.00 0.00 H +ATOM 287 HB2 PRO A 19 -0.871 6.555 -1.758 1.00 0.00 H +ATOM 288 HB3 PRO A 19 0.235 5.311 -2.422 1.00 0.00 H +ATOM 289 HG2 PRO A 19 -1.472 5.190 0.066 1.00 0.00 H +ATOM 290 HG3 PRO A 19 -1.196 3.933 -1.136 1.00 0.00 H +ATOM 291 HD2 PRO A 19 0.178 4.064 1.235 1.00 0.00 H +ATOM 292 HD3 PRO A 19 0.863 3.356 -0.255 1.00 0.00 H +ATOM 293 N SER A 20 -0.071 7.506 1.180 1.00 0.00 N +ATOM 294 CA SER A 20 -0.495 8.598 2.070 1.00 0.00 C +ATOM 295 C SER A 20 0.609 8.944 3.064 1.00 0.00 C +ATOM 296 O SER A 20 0.894 10.155 3.181 1.00 0.00 O +ATOM 297 CB SER A 20 -1.736 8.215 2.879 1.00 0.00 C +ATOM 298 OG SER A 20 -2.830 7.879 2.044 1.00 0.00 O +ATOM 299 OXT SER A 20 1.084 7.996 3.730 1.00 0.00 O +ATOM 300 H SER A 20 -0.157 6.569 1.538 1.00 0.00 H +ATOM 301 HA SER A 20 -0.699 9.493 1.486 1.00 0.00 H +ATOM 302 HB2 SER A 20 -1.500 7.370 3.497 1.00 0.00 H +ATOM 303 HB3 SER A 20 -2.011 9.052 3.523 1.00 0.00 H +ATOM 304 HG SER A 20 -3.169 8.700 1.678 1.00 0.00 H +TER 305 SER A 20 +ENDMDL +MODEL 23 +ATOM 1 N ASN A 1 -8.995 5.512 -1.807 1.00 0.00 N +ATOM 2 CA ASN A 1 -8.139 5.500 -0.596 1.00 0.00 C +ATOM 3 C ASN A 1 -6.657 5.213 -0.847 1.00 0.00 C +ATOM 4 O ASN A 1 -5.857 5.704 -0.062 1.00 0.00 O +ATOM 5 CB ASN A 1 -8.684 4.564 0.498 1.00 0.00 C +ATOM 6 CG ASN A 1 -9.123 5.373 1.709 1.00 0.00 C +ATOM 7 OD1 ASN A 1 -10.305 5.507 1.971 1.00 0.00 O +ATOM 8 ND2 ASN A 1 -8.201 5.977 2.436 1.00 0.00 N +ATOM 9 H1 ASN A 1 -8.610 6.132 -2.507 1.00 0.00 H +ATOM 10 H2 ASN A 1 -9.086 4.582 -2.189 1.00 0.00 H +ATOM 11 H3 ASN A 1 -9.920 5.841 -1.561 1.00 0.00 H +ATOM 12 HA ASN A 1 -8.157 6.511 -0.184 1.00 0.00 H +ATOM 13 HB2 ASN A 1 -9.524 4.019 0.112 1.00 0.00 H +ATOM 14 HB3 ASN A 1 -7.920 3.855 0.818 1.00 0.00 H +ATOM 15 HD21 ASN A 1 -7.210 5.924 2.252 1.00 0.00 H +ATOM 16 HD22 ASN A 1 -8.568 6.492 3.222 1.00 0.00 H +ATOM 17 N LEU A 2 -6.287 4.419 -1.870 1.00 0.00 N +ATOM 18 CA LEU A 2 -4.918 3.992 -2.233 1.00 0.00 C +ATOM 19 C LEU A 2 -4.198 3.117 -1.189 1.00 0.00 C +ATOM 20 O LEU A 2 -3.649 2.074 -1.544 1.00 0.00 O +ATOM 21 CB LEU A 2 -4.033 5.181 -2.661 1.00 0.00 C +ATOM 22 CG LEU A 2 -4.577 5.992 -3.859 1.00 0.00 C +ATOM 23 CD1 LEU A 2 -5.182 7.328 -3.410 1.00 0.00 C +ATOM 24 CD2 LEU A 2 -3.464 6.283 -4.867 1.00 0.00 C +ATOM 25 H LEU A 2 -6.993 4.011 -2.461 1.00 0.00 H +ATOM 26 HA LEU A 2 -5.014 3.355 -3.115 1.00 0.00 H +ATOM 27 HB2 LEU A 2 -3.937 5.845 -1.824 1.00 0.00 H +ATOM 28 HB3 LEU A 2 -3.061 4.766 -2.935 1.00 0.00 H +ATOM 29 HG LEU A 2 -5.348 5.414 -4.371 1.00 0.00 H +ATOM 30 HD11 LEU A 2 -6.031 7.162 -2.754 1.00 0.00 H +ATOM 31 HD12 LEU A 2 -4.432 7.916 -2.879 1.00 0.00 H +ATOM 32 HD13 LEU A 2 -5.517 7.893 -4.282 1.00 0.00 H +ATOM 33 HD21 LEU A 2 -2.669 6.860 -4.395 1.00 0.00 H +ATOM 34 HD22 LEU A 2 -3.056 5.346 -5.245 1.00 0.00 H +ATOM 35 HD23 LEU A 2 -3.867 6.848 -5.709 1.00 0.00 H +ATOM 36 N TYR A 3 -4.220 3.498 0.091 1.00 0.00 N +ATOM 37 CA TYR A 3 -3.550 2.790 1.185 1.00 0.00 C +ATOM 38 C TYR A 3 -3.980 1.315 1.283 1.00 0.00 C +ATOM 39 O TYR A 3 -3.150 0.440 1.515 1.00 0.00 O +ATOM 40 CB TYR A 3 -3.809 3.544 2.496 1.00 0.00 C +ATOM 41 CG TYR A 3 -2.752 3.301 3.554 1.00 0.00 C +ATOM 42 CD1 TYR A 3 -2.869 2.215 4.443 1.00 0.00 C +ATOM 43 CD2 TYR A 3 -1.653 4.178 3.655 1.00 0.00 C +ATOM 44 CE1 TYR A 3 -1.899 2.018 5.443 1.00 0.00 C +ATOM 45 CE2 TYR A 3 -0.683 3.985 4.655 1.00 0.00 C +ATOM 46 CZ TYR A 3 -0.812 2.911 5.561 1.00 0.00 C +ATOM 47 OH TYR A 3 0.085 2.742 6.568 1.00 0.00 O +ATOM 48 H TYR A 3 -4.660 4.395 0.286 1.00 0.00 H +ATOM 49 HA TYR A 3 -2.478 2.809 0.991 1.00 0.00 H +ATOM 50 HB2 TYR A 3 -3.840 4.595 2.283 1.00 0.00 H +ATOM 51 HB3 TYR A 3 -4.790 3.270 2.890 1.00 0.00 H +ATOM 52 HD1 TYR A 3 -3.710 1.538 4.369 1.00 0.00 H +ATOM 53 HD2 TYR A 3 -1.555 5.018 2.982 1.00 0.00 H +ATOM 54 HE1 TYR A 3 -1.977 1.210 6.151 1.00 0.00 H +ATOM 55 HE2 TYR A 3 0.149 4.672 4.736 1.00 0.00 H +ATOM 56 HH TYR A 3 0.563 3.552 6.750 1.00 0.00 H +ATOM 57 N ILE A 4 -5.264 1.030 1.024 1.00 0.00 N +ATOM 58 CA ILE A 4 -5.827 -0.326 0.952 1.00 0.00 C +ATOM 59 C ILE A 4 -5.114 -1.151 -0.131 1.00 0.00 C +ATOM 60 O ILE A 4 -4.658 -2.257 0.147 1.00 0.00 O +ATOM 61 CB ILE A 4 -7.356 -0.272 0.705 1.00 0.00 C +ATOM 62 CG1 ILE A 4 -8.110 0.581 1.757 1.00 0.00 C +ATOM 63 CG2 ILE A 4 -7.947 -1.695 0.687 1.00 0.00 C +ATOM 64 CD1 ILE A 4 -9.451 1.106 1.228 1.00 0.00 C +ATOM 65 H ILE A 4 -5.870 1.816 0.855 1.00 0.00 H +ATOM 66 HA ILE A 4 -5.652 -0.820 1.909 1.00 0.00 H +ATOM 67 HB ILE A 4 -7.515 0.178 -0.278 1.00 0.00 H +ATOM 68 HG12 ILE A 4 -8.294 -0.024 2.624 1.00 0.00 H +ATOM 69 HG13 ILE A 4 -7.523 1.453 2.040 1.00 0.00 H +ATOM 70 HG21 ILE A 4 -7.530 -2.276 -0.135 1.00 0.00 H +ATOM 71 HG22 ILE A 4 -7.726 -2.202 1.628 1.00 0.00 H +ATOM 72 HG23 ILE A 4 -9.028 -1.659 0.555 1.00 0.00 H +ATOM 73 HD11 ILE A 4 -9.295 1.636 0.288 1.00 0.00 H +ATOM 74 HD12 ILE A 4 -10.147 0.285 1.062 1.00 0.00 H +ATOM 75 HD13 ILE A 4 -9.883 1.794 1.955 1.00 0.00 H +ATOM 76 N GLN A 5 -4.980 -0.613 -1.354 1.00 0.00 N +ATOM 77 CA GLN A 5 -4.248 -1.254 -2.452 1.00 0.00 C +ATOM 78 C GLN A 5 -2.764 -1.451 -2.115 1.00 0.00 C +ATOM 79 O GLN A 5 -2.210 -2.510 -2.406 1.00 0.00 O +ATOM 80 CB GLN A 5 -4.397 -0.444 -3.752 1.00 0.00 C +ATOM 81 CG GLN A 5 -5.780 -0.585 -4.421 1.00 0.00 C +ATOM 82 CD GLN A 5 -5.677 -1.049 -5.874 1.00 0.00 C +ATOM 83 OE1 GLN A 5 -4.908 -0.532 -6.667 1.00 0.00 O +ATOM 84 NE2 GLN A 5 -6.453 -2.034 -6.287 1.00 0.00 N +ATOM 85 H GLN A 5 -5.284 0.340 -1.486 1.00 0.00 H +ATOM 86 HA GLN A 5 -4.665 -2.247 -2.623 1.00 0.00 H +ATOM 87 HB2 GLN A 5 -4.235 0.592 -3.525 1.00 0.00 H +ATOM 88 HB3 GLN A 5 -3.627 -0.786 -4.446 1.00 0.00 H +ATOM 89 HG2 GLN A 5 -6.358 -1.301 -3.870 1.00 0.00 H +ATOM 90 HG3 GLN A 5 -6.280 0.383 -4.410 1.00 0.00 H +ATOM 91 HE21 GLN A 5 -7.135 -2.486 -5.703 1.00 0.00 H +ATOM 92 HE22 GLN A 5 -6.309 -2.278 -7.253 1.00 0.00 H +ATOM 93 N TRP A 6 -2.122 -0.471 -1.467 1.00 0.00 N +ATOM 94 CA TRP A 6 -0.752 -0.626 -0.970 1.00 0.00 C +ATOM 95 C TRP A 6 -0.626 -1.773 0.051 1.00 0.00 C +ATOM 96 O TRP A 6 0.275 -2.606 -0.073 1.00 0.00 O +ATOM 97 CB TRP A 6 -0.246 0.708 -0.409 1.00 0.00 C +ATOM 98 CG TRP A 6 1.122 0.638 0.187 1.00 0.00 C +ATOM 99 CD1 TRP A 6 2.283 0.580 -0.505 1.00 0.00 C +ATOM 100 CD2 TRP A 6 1.498 0.590 1.599 1.00 0.00 C +ATOM 101 NE1 TRP A 6 3.337 0.446 0.374 1.00 0.00 N +ATOM 102 CE2 TRP A 6 2.919 0.485 1.681 1.00 0.00 C +ATOM 103 CE3 TRP A 6 0.791 0.638 2.820 1.00 0.00 C +ATOM 104 CZ2 TRP A 6 3.609 0.442 2.898 1.00 0.00 C +ATOM 105 CZ3 TRP A 6 1.472 0.592 4.050 1.00 0.00 C +ATOM 106 CH2 TRP A 6 2.875 0.504 4.093 1.00 0.00 C +ATOM 107 H TRP A 6 -2.627 0.394 -1.292 1.00 0.00 H +ATOM 108 HA TRP A 6 -0.116 -0.900 -1.810 1.00 0.00 H +ATOM 109 HB2 TRP A 6 -0.230 1.425 -1.207 1.00 0.00 H +ATOM 110 HB3 TRP A 6 -0.932 1.060 0.358 1.00 0.00 H +ATOM 111 HD1 TRP A 6 2.377 0.619 -1.579 1.00 0.00 H +ATOM 112 HE1 TRP A 6 4.319 0.364 0.099 1.00 0.00 H +ATOM 113 HE3 TRP A 6 -0.286 0.722 2.803 1.00 0.00 H +ATOM 114 HZ2 TRP A 6 4.686 0.366 2.903 1.00 0.00 H +ATOM 115 HZ3 TRP A 6 0.916 0.637 4.976 1.00 0.00 H +ATOM 116 HH2 TRP A 6 3.385 0.485 5.046 1.00 0.00 H +ATOM 117 N LEU A 7 -1.546 -1.866 1.019 1.00 0.00 N +ATOM 118 CA LEU A 7 -1.600 -2.993 1.954 1.00 0.00 C +ATOM 119 C LEU A 7 -1.891 -4.331 1.257 1.00 0.00 C +ATOM 120 O LEU A 7 -1.258 -5.322 1.617 1.00 0.00 O +ATOM 121 CB LEU A 7 -2.629 -2.736 3.069 1.00 0.00 C +ATOM 122 CG LEU A 7 -2.255 -1.624 4.066 1.00 0.00 C +ATOM 123 CD1 LEU A 7 -3.410 -1.464 5.059 1.00 0.00 C +ATOM 124 CD2 LEU A 7 -0.975 -1.930 4.852 1.00 0.00 C +ATOM 125 H LEU A 7 -2.238 -1.124 1.101 1.00 0.00 H +ATOM 126 HA LEU A 7 -0.616 -3.103 2.408 1.00 0.00 H +ATOM 127 HB2 LEU A 7 -3.559 -2.467 2.606 1.00 0.00 H +ATOM 128 HB3 LEU A 7 -2.758 -3.662 3.632 1.00 0.00 H +ATOM 129 HG LEU A 7 -2.117 -0.684 3.539 1.00 0.00 H +ATOM 130 HD11 LEU A 7 -4.330 -1.232 4.522 1.00 0.00 H +ATOM 131 HD12 LEU A 7 -3.546 -2.384 5.627 1.00 0.00 H +ATOM 132 HD13 LEU A 7 -3.198 -0.653 5.753 1.00 0.00 H +ATOM 133 HD21 LEU A 7 -1.059 -2.897 5.349 1.00 0.00 H +ATOM 134 HD22 LEU A 7 -0.117 -1.940 4.182 1.00 0.00 H +ATOM 135 HD23 LEU A 7 -0.809 -1.154 5.600 1.00 0.00 H +ATOM 136 N LYS A 8 -2.780 -4.375 0.246 1.00 0.00 N +ATOM 137 CA LYS A 8 -3.068 -5.596 -0.534 1.00 0.00 C +ATOM 138 C LYS A 8 -1.816 -6.219 -1.151 1.00 0.00 C +ATOM 139 O LYS A 8 -1.740 -7.439 -1.237 1.00 0.00 O +ATOM 140 CB LYS A 8 -4.081 -5.335 -1.662 1.00 0.00 C +ATOM 141 CG LYS A 8 -5.498 -4.986 -1.175 1.00 0.00 C +ATOM 142 CD LYS A 8 -6.576 -5.917 -1.747 1.00 0.00 C +ATOM 143 CE LYS A 8 -6.443 -7.334 -1.176 1.00 0.00 C +ATOM 144 NZ LYS A 8 -7.563 -8.199 -1.611 1.00 0.00 N +ATOM 145 H LYS A 8 -3.304 -3.525 0.051 1.00 0.00 H +ATOM 146 HA LYS A 8 -3.475 -6.350 0.141 1.00 0.00 H +ATOM 147 HB2 LYS A 8 -3.719 -4.518 -2.256 1.00 0.00 H +ATOM 148 HB3 LYS A 8 -4.124 -6.228 -2.289 1.00 0.00 H +ATOM 149 HG2 LYS A 8 -5.519 -5.056 -0.105 1.00 0.00 H +ATOM 150 HG3 LYS A 8 -5.730 -3.973 -1.499 1.00 0.00 H +ATOM 151 HD2 LYS A 8 -7.544 -5.528 -1.496 1.00 0.00 H +ATOM 152 HD3 LYS A 8 -6.493 -5.943 -2.836 1.00 0.00 H +ATOM 153 HE2 LYS A 8 -5.519 -7.762 -1.515 1.00 0.00 H +ATOM 154 HE3 LYS A 8 -6.423 -7.269 -0.084 1.00 0.00 H +ATOM 155 HZ1 LYS A 8 -8.442 -7.832 -1.266 1.00 0.00 H +ATOM 156 HZ2 LYS A 8 -7.603 -8.242 -2.621 1.00 0.00 H +ATOM 157 HZ3 LYS A 8 -7.442 -9.138 -1.253 1.00 0.00 H +ATOM 158 N ASP A 9 -0.849 -5.393 -1.556 1.00 0.00 N +ATOM 159 CA ASP A 9 0.436 -5.853 -2.083 1.00 0.00 C +ATOM 160 C ASP A 9 1.332 -6.506 -1.009 1.00 0.00 C +ATOM 161 O ASP A 9 2.223 -7.275 -1.345 1.00 0.00 O +ATOM 162 CB ASP A 9 1.145 -4.662 -2.744 1.00 0.00 C +ATOM 163 CG ASP A 9 2.097 -5.123 -3.846 1.00 0.00 C +ATOM 164 OD1 ASP A 9 3.259 -5.441 -3.507 1.00 0.00 O +ATOM 165 OD2 ASP A 9 1.661 -5.116 -5.015 1.00 0.00 O +ATOM 166 H ASP A 9 -1.027 -4.396 -1.508 1.00 0.00 H +ATOM 167 HA ASP A 9 0.243 -6.603 -2.852 1.00 0.00 H +ATOM 168 HB2 ASP A 9 0.408 -4.009 -3.170 1.00 0.00 H +ATOM 169 HB3 ASP A 9 1.699 -4.094 -1.991 1.00 0.00 H +ATOM 170 N GLY A 10 1.085 -6.233 0.280 1.00 0.00 N +ATOM 171 CA GLY A 10 1.935 -6.630 1.406 1.00 0.00 C +ATOM 172 C GLY A 10 2.538 -5.448 2.178 1.00 0.00 C +ATOM 173 O GLY A 10 3.381 -5.658 3.052 1.00 0.00 O +ATOM 174 H GLY A 10 0.224 -5.740 0.500 1.00 0.00 H +ATOM 175 HA2 GLY A 10 1.338 -7.217 2.103 1.00 0.00 H +ATOM 176 HA3 GLY A 10 2.755 -7.257 1.056 1.00 0.00 H +ATOM 177 N GLY A 11 2.139 -4.205 1.865 1.00 0.00 N +ATOM 178 CA GLY A 11 2.660 -3.003 2.510 1.00 0.00 C +ATOM 179 C GLY A 11 4.193 -2.919 2.402 1.00 0.00 C +ATOM 180 O GLY A 11 4.722 -3.051 1.294 1.00 0.00 O +ATOM 181 H GLY A 11 1.481 -4.078 1.104 1.00 0.00 H +ATOM 182 HA2 GLY A 11 2.230 -2.129 2.025 1.00 0.00 H +ATOM 183 HA3 GLY A 11 2.339 -3.009 3.550 1.00 0.00 H +ATOM 184 N PRO A 12 4.936 -2.732 3.516 1.00 0.00 N +ATOM 185 CA PRO A 12 6.401 -2.697 3.498 1.00 0.00 C +ATOM 186 C PRO A 12 7.057 -3.980 2.962 1.00 0.00 C +ATOM 187 O PRO A 12 8.194 -3.921 2.498 1.00 0.00 O +ATOM 188 CB PRO A 12 6.843 -2.444 4.945 1.00 0.00 C +ATOM 189 CG PRO A 12 5.600 -1.887 5.633 1.00 0.00 C +ATOM 190 CD PRO A 12 4.459 -2.571 4.884 1.00 0.00 C +ATOM 191 HA PRO A 12 6.718 -1.858 2.877 1.00 0.00 H +ATOM 192 HB2 PRO A 12 7.157 -3.358 5.411 1.00 0.00 H +ATOM 193 HB3 PRO A 12 7.673 -1.736 4.990 1.00 0.00 H +ATOM 194 HG2 PRO A 12 5.587 -2.145 6.675 1.00 0.00 H +ATOM 195 HG3 PRO A 12 5.548 -0.809 5.478 1.00 0.00 H +ATOM 196 HD2 PRO A 12 4.243 -3.527 5.321 1.00 0.00 H +ATOM 197 HD3 PRO A 12 3.561 -1.958 4.940 1.00 0.00 H +ATOM 198 N SER A 13 6.364 -5.132 2.996 1.00 0.00 N +ATOM 199 CA SER A 13 6.922 -6.427 2.577 1.00 0.00 C +ATOM 200 C SER A 13 7.348 -6.452 1.106 1.00 0.00 C +ATOM 201 O SER A 13 8.273 -7.185 0.760 1.00 0.00 O +ATOM 202 CB SER A 13 5.902 -7.544 2.812 1.00 0.00 C +ATOM 203 OG SER A 13 6.513 -8.805 2.628 1.00 0.00 O +ATOM 204 H SER A 13 5.404 -5.115 3.326 1.00 0.00 H +ATOM 205 HA SER A 13 7.802 -6.636 3.185 1.00 0.00 H +ATOM 206 HB2 SER A 13 5.525 -7.475 3.814 1.00 0.00 H +ATOM 207 HB3 SER A 13 5.073 -7.436 2.110 1.00 0.00 H +ATOM 208 HG SER A 13 6.978 -8.809 1.779 1.00 0.00 H +ATOM 209 N SER A 14 6.688 -5.663 0.253 1.00 0.00 N +ATOM 210 CA SER A 14 7.033 -5.491 -1.164 1.00 0.00 C +ATOM 211 C SER A 14 8.036 -4.355 -1.407 1.00 0.00 C +ATOM 212 O SER A 14 8.270 -3.979 -2.556 1.00 0.00 O +ATOM 213 CB SER A 14 5.763 -5.217 -1.973 1.00 0.00 C +ATOM 214 OG SER A 14 4.936 -6.345 -2.040 1.00 0.00 O +ATOM 215 H SER A 14 5.903 -5.135 0.612 1.00 0.00 H +ATOM 216 HA SER A 14 7.475 -6.413 -1.545 1.00 0.00 H +ATOM 217 HB2 SER A 14 5.221 -4.416 -1.508 1.00 0.00 H +ATOM 218 HB3 SER A 14 6.026 -4.948 -2.995 1.00 0.00 H +ATOM 219 HG SER A 14 4.164 -6.059 -2.655 1.00 0.00 H +ATOM 220 N GLY A 15 8.590 -3.733 -0.358 1.00 0.00 N +ATOM 221 CA GLY A 15 9.577 -2.650 -0.433 1.00 0.00 C +ATOM 222 C GLY A 15 9.029 -1.291 -0.893 1.00 0.00 C +ATOM 223 O GLY A 15 9.565 -0.255 -0.498 1.00 0.00 O +ATOM 224 H GLY A 15 8.346 -4.054 0.578 1.00 0.00 H +ATOM 225 HA2 GLY A 15 10.022 -2.519 0.554 1.00 0.00 H +ATOM 226 HA3 GLY A 15 10.370 -2.944 -1.121 1.00 0.00 H +ATOM 227 N ARG A 16 7.961 -1.275 -1.702 1.00 0.00 N +ATOM 228 CA ARG A 16 7.253 -0.068 -2.152 1.00 0.00 C +ATOM 229 C ARG A 16 6.758 0.782 -0.961 1.00 0.00 C +ATOM 230 O ARG A 16 6.062 0.249 -0.094 1.00 0.00 O +ATOM 231 CB ARG A 16 6.114 -0.429 -3.128 1.00 0.00 C +ATOM 232 CG ARG A 16 5.073 -1.437 -2.599 1.00 0.00 C +ATOM 233 CD ARG A 16 4.058 -1.882 -3.667 1.00 0.00 C +ATOM 234 NE ARG A 16 2.925 -0.944 -3.816 1.00 0.00 N +ATOM 235 CZ ARG A 16 2.827 0.118 -4.610 1.00 0.00 C +ATOM 236 NH1 ARG A 16 3.797 0.480 -5.418 1.00 0.00 N +ATOM 237 NH2 ARG A 16 1.736 0.848 -4.603 1.00 0.00 N +ATOM 238 H ARG A 16 7.673 -2.184 -2.046 1.00 0.00 H +ATOM 239 HA ARG A 16 7.981 0.515 -2.712 1.00 0.00 H +ATOM 240 HB2 ARG A 16 5.597 0.477 -3.381 1.00 0.00 H +ATOM 241 HB3 ARG A 16 6.567 -0.849 -4.028 1.00 0.00 H +ATOM 242 HG2 ARG A 16 5.592 -2.305 -2.239 1.00 0.00 H +ATOM 243 HG3 ARG A 16 4.537 -1.022 -1.749 1.00 0.00 H +ATOM 244 HD2 ARG A 16 4.565 -1.958 -4.610 1.00 0.00 H +ATOM 245 HD3 ARG A 16 3.649 -2.842 -3.350 1.00 0.00 H +ATOM 246 HE ARG A 16 2.106 -1.187 -3.286 1.00 0.00 H +ATOM 247 HH11 ARG A 16 4.617 -0.096 -5.446 1.00 0.00 H +ATOM 248 HH12 ARG A 16 3.713 1.284 -6.011 1.00 0.00 H +ATOM 249 HH21 ARG A 16 0.947 0.584 -4.042 1.00 0.00 H +ATOM 250 HH22 ARG A 16 1.678 1.660 -5.191 1.00 0.00 H +ATOM 251 N PRO A 17 7.067 2.094 -0.905 1.00 0.00 N +ATOM 252 CA PRO A 17 6.620 2.967 0.182 1.00 0.00 C +ATOM 253 C PRO A 17 5.099 3.227 0.122 1.00 0.00 C +ATOM 254 O PRO A 17 4.486 3.009 -0.928 1.00 0.00 O +ATOM 255 CB PRO A 17 7.427 4.260 0.005 1.00 0.00 C +ATOM 256 CG PRO A 17 7.667 4.322 -1.501 1.00 0.00 C +ATOM 257 CD PRO A 17 7.835 2.854 -1.882 1.00 0.00 C +ATOM 258 HA PRO A 17 6.870 2.512 1.140 1.00 0.00 H +ATOM 259 HB2 PRO A 17 6.867 5.112 0.340 1.00 0.00 H +ATOM 260 HB3 PRO A 17 8.385 4.162 0.519 1.00 0.00 H +ATOM 261 HG2 PRO A 17 6.828 4.758 -2.008 1.00 0.00 H +ATOM 262 HG3 PRO A 17 8.552 4.908 -1.749 1.00 0.00 H +ATOM 263 HD2 PRO A 17 7.456 2.680 -2.871 1.00 0.00 H +ATOM 264 HD3 PRO A 17 8.888 2.571 -1.812 1.00 0.00 H +ATOM 265 N PRO A 18 4.480 3.698 1.223 1.00 0.00 N +ATOM 266 CA PRO A 18 3.051 4.007 1.257 1.00 0.00 C +ATOM 267 C PRO A 18 2.699 5.236 0.396 1.00 0.00 C +ATOM 268 O PRO A 18 3.570 6.059 0.111 1.00 0.00 O +ATOM 269 CB PRO A 18 2.722 4.232 2.738 1.00 0.00 C +ATOM 270 CG PRO A 18 4.041 4.721 3.329 1.00 0.00 C +ATOM 271 CD PRO A 18 5.086 3.950 2.524 1.00 0.00 C +ATOM 272 HA PRO A 18 2.496 3.146 0.892 1.00 0.00 H +ATOM 273 HB2 PRO A 18 1.954 4.972 2.852 1.00 0.00 H +ATOM 274 HB3 PRO A 18 2.449 3.284 3.200 1.00 0.00 H +ATOM 275 HG2 PRO A 18 4.155 5.779 3.195 1.00 0.00 H +ATOM 276 HG3 PRO A 18 4.113 4.505 4.395 1.00 0.00 H +ATOM 277 HD2 PRO A 18 5.979 4.535 2.413 1.00 0.00 H +ATOM 278 HD3 PRO A 18 5.300 2.999 3.013 1.00 0.00 H +ATOM 279 N PRO A 19 1.420 5.393 -0.004 1.00 0.00 N +ATOM 280 CA PRO A 19 0.957 6.533 -0.802 1.00 0.00 C +ATOM 281 C PRO A 19 0.749 7.823 0.014 1.00 0.00 C +ATOM 282 O PRO A 19 0.677 8.899 -0.575 1.00 0.00 O +ATOM 283 CB PRO A 19 -0.367 6.064 -1.415 1.00 0.00 C +ATOM 284 CG PRO A 19 -0.913 5.086 -0.375 1.00 0.00 C +ATOM 285 CD PRO A 19 0.348 4.422 0.169 1.00 0.00 C +ATOM 286 HA PRO A 19 1.669 6.748 -1.599 1.00 0.00 H +ATOM 287 HB2 PRO A 19 -1.038 6.889 -1.556 1.00 0.00 H +ATOM 288 HB3 PRO A 19 -0.164 5.530 -2.346 1.00 0.00 H +ATOM 289 HG2 PRO A 19 -1.441 5.605 0.402 1.00 0.00 H +ATOM 290 HG3 PRO A 19 -1.584 4.357 -0.825 1.00 0.00 H +ATOM 291 HD2 PRO A 19 0.225 4.183 1.208 1.00 0.00 H +ATOM 292 HD3 PRO A 19 0.576 3.535 -0.421 1.00 0.00 H +ATOM 293 N SER A 20 0.622 7.704 1.342 1.00 0.00 N +ATOM 294 CA SER A 20 0.537 8.783 2.335 1.00 0.00 C +ATOM 295 C SER A 20 1.931 9.218 2.798 1.00 0.00 C +ATOM 296 O SER A 20 2.563 8.335 3.437 1.00 0.00 O +ATOM 297 CB SER A 20 -0.247 8.262 3.545 1.00 0.00 C +ATOM 298 OG SER A 20 0.531 7.207 4.069 1.00 0.00 O +ATOM 299 OXT SER A 20 2.277 10.398 2.599 1.00 0.00 O +ATOM 300 H SER A 20 0.701 6.779 1.733 1.00 0.00 H +ATOM 301 HA SER A 20 0.039 9.654 1.908 1.00 0.00 H +ATOM 302 HB2 SER A 20 -0.369 9.038 4.276 1.00 0.00 H +ATOM 303 HB3 SER A 20 -1.237 7.911 3.252 1.00 0.00 H +ATOM 304 HG SER A 20 1.480 7.561 3.895 1.00 0.00 H +TER 305 SER A 20 +ENDMDL +MODEL 24 +ATOM 1 N ASN A 1 -6.292 7.385 1.128 1.00 0.00 N +ATOM 2 CA ASN A 1 -7.232 6.863 0.107 1.00 0.00 C +ATOM 3 C ASN A 1 -6.739 5.538 -0.485 1.00 0.00 C +ATOM 4 O ASN A 1 -7.431 4.543 -0.336 1.00 0.00 O +ATOM 5 CB ASN A 1 -7.545 7.923 -0.975 1.00 0.00 C +ATOM 6 CG ASN A 1 -6.313 8.297 -1.796 1.00 0.00 C +ATOM 7 OD1 ASN A 1 -5.208 8.306 -1.270 1.00 0.00 O +ATOM 8 ND2 ASN A 1 -6.440 8.526 -3.087 1.00 0.00 N +ATOM 9 H1 ASN A 1 -6.040 6.659 1.782 1.00 0.00 H +ATOM 10 H2 ASN A 1 -5.460 7.735 0.662 1.00 0.00 H +ATOM 11 H3 ASN A 1 -6.719 8.150 1.634 1.00 0.00 H +ATOM 12 HA ASN A 1 -8.173 6.624 0.607 1.00 0.00 H +ATOM 13 HB2 ASN A 1 -8.294 7.530 -1.636 1.00 0.00 H +ATOM 14 HB3 ASN A 1 -7.929 8.825 -0.499 1.00 0.00 H +ATOM 15 HD21 ASN A 1 -7.324 8.491 -3.570 1.00 0.00 H +ATOM 16 HD22 ASN A 1 -5.584 8.752 -3.571 1.00 0.00 H +ATOM 17 N LEU A 2 -5.556 5.496 -1.115 1.00 0.00 N +ATOM 18 CA LEU A 2 -5.032 4.330 -1.843 1.00 0.00 C +ATOM 19 C LEU A 2 -4.313 3.290 -0.955 1.00 0.00 C +ATOM 20 O LEU A 2 -3.853 2.259 -1.446 1.00 0.00 O +ATOM 21 CB LEU A 2 -4.138 4.841 -3.003 1.00 0.00 C +ATOM 22 CG LEU A 2 -4.722 4.651 -4.418 1.00 0.00 C +ATOM 23 CD1 LEU A 2 -4.894 3.173 -4.766 1.00 0.00 C +ATOM 24 CD2 LEU A 2 -6.050 5.386 -4.636 1.00 0.00 C +ATOM 25 H LEU A 2 -5.044 6.368 -1.237 1.00 0.00 H +ATOM 26 HA LEU A 2 -5.880 3.796 -2.268 1.00 0.00 H +ATOM 27 HB2 LEU A 2 -3.967 5.890 -2.853 1.00 0.00 H +ATOM 28 HB3 LEU A 2 -3.179 4.327 -2.975 1.00 0.00 H +ATOM 29 HG LEU A 2 -4.002 5.061 -5.126 1.00 0.00 H +ATOM 30 HD11 LEU A 2 -3.966 2.642 -4.555 1.00 0.00 H +ATOM 31 HD12 LEU A 2 -5.713 2.736 -4.196 1.00 0.00 H +ATOM 32 HD13 LEU A 2 -5.117 3.069 -5.827 1.00 0.00 H +ATOM 33 HD21 LEU A 2 -6.733 5.221 -3.804 1.00 0.00 H +ATOM 34 HD22 LEU A 2 -5.855 6.450 -4.745 1.00 0.00 H +ATOM 35 HD23 LEU A 2 -6.526 5.028 -5.550 1.00 0.00 H +ATOM 36 N TYR A 3 -4.243 3.530 0.360 1.00 0.00 N +ATOM 37 CA TYR A 3 -3.536 2.698 1.337 1.00 0.00 C +ATOM 38 C TYR A 3 -3.999 1.230 1.340 1.00 0.00 C +ATOM 39 O TYR A 3 -3.180 0.335 1.524 1.00 0.00 O +ATOM 40 CB TYR A 3 -3.688 3.329 2.730 1.00 0.00 C +ATOM 41 CG TYR A 3 -2.527 3.057 3.667 1.00 0.00 C +ATOM 42 CD1 TYR A 3 -2.504 1.888 4.455 1.00 0.00 C +ATOM 43 CD2 TYR A 3 -1.478 3.993 3.769 1.00 0.00 C +ATOM 44 CE1 TYR A 3 -1.449 1.665 5.360 1.00 0.00 C +ATOM 45 CE2 TYR A 3 -0.422 3.773 4.671 1.00 0.00 C +ATOM 46 CZ TYR A 3 -0.410 2.617 5.478 1.00 0.00 C +ATOM 47 OH TYR A 3 0.592 2.435 6.380 1.00 0.00 O +ATOM 48 H TYR A 3 -4.647 4.393 0.678 1.00 0.00 H +ATOM 49 HA TYR A 3 -2.476 2.708 1.078 1.00 0.00 H +ATOM 50 HB2 TYR A 3 -3.781 4.391 2.610 1.00 0.00 H +ATOM 51 HB3 TYR A 3 -4.613 2.981 3.190 1.00 0.00 H +ATOM 52 HD1 TYR A 3 -3.302 1.165 4.368 1.00 0.00 H +ATOM 53 HD2 TYR A 3 -1.485 4.893 3.169 1.00 0.00 H +ATOM 54 HE1 TYR A 3 -1.435 0.773 5.967 1.00 0.00 H +ATOM 55 HE2 TYR A 3 0.377 4.493 4.774 1.00 0.00 H +ATOM 56 HH TYR A 3 0.371 1.780 7.044 1.00 0.00 H +ATOM 57 N ILE A 4 -5.291 0.971 1.083 1.00 0.00 N +ATOM 58 CA ILE A 4 -5.855 -0.385 0.970 1.00 0.00 C +ATOM 59 C ILE A 4 -5.185 -1.167 -0.172 1.00 0.00 C +ATOM 60 O ILE A 4 -4.825 -2.331 0.000 1.00 0.00 O +ATOM 61 CB ILE A 4 -7.390 -0.331 0.775 1.00 0.00 C +ATOM 62 CG1 ILE A 4 -8.107 0.494 1.877 1.00 0.00 C +ATOM 63 CG2 ILE A 4 -7.991 -1.748 0.746 1.00 0.00 C +ATOM 64 CD1 ILE A 4 -8.694 1.795 1.319 1.00 0.00 C +ATOM 65 H ILE A 4 -5.903 1.762 0.942 1.00 0.00 H +ATOM 66 HA ILE A 4 -5.647 -0.919 1.898 1.00 0.00 H +ATOM 67 HB ILE A 4 -7.594 0.123 -0.197 1.00 0.00 H +ATOM 68 HG12 ILE A 4 -8.901 -0.096 2.292 1.00 0.00 H +ATOM 69 HG13 ILE A 4 -7.417 0.733 2.687 1.00 0.00 H +ATOM 70 HG21 ILE A 4 -7.583 -2.322 -0.085 1.00 0.00 H +ATOM 71 HG22 ILE A 4 -7.771 -2.267 1.681 1.00 0.00 H +ATOM 72 HG23 ILE A 4 -9.072 -1.688 0.616 1.00 0.00 H +ATOM 73 HD11 ILE A 4 -7.897 2.395 0.886 1.00 0.00 H +ATOM 74 HD12 ILE A 4 -9.436 1.569 0.553 1.00 0.00 H +ATOM 75 HD13 ILE A 4 -9.171 2.357 2.121 1.00 0.00 H +ATOM 76 N GLN A 5 -4.990 -0.524 -1.331 1.00 0.00 N +ATOM 77 CA GLN A 5 -4.287 -1.099 -2.478 1.00 0.00 C +ATOM 78 C GLN A 5 -2.828 -1.408 -2.125 1.00 0.00 C +ATOM 79 O GLN A 5 -2.375 -2.526 -2.353 1.00 0.00 O +ATOM 80 CB GLN A 5 -4.383 -0.141 -3.683 1.00 0.00 C +ATOM 81 CG GLN A 5 -5.134 -0.729 -4.885 1.00 0.00 C +ATOM 82 CD GLN A 5 -6.640 -0.793 -4.645 1.00 0.00 C +ATOM 83 OE1 GLN A 5 -7.380 0.135 -4.919 1.00 0.00 O +ATOM 84 NE2 GLN A 5 -7.150 -1.887 -4.116 1.00 0.00 N +ATOM 85 H GLN A 5 -5.215 0.461 -1.367 1.00 0.00 H +ATOM 86 HA GLN A 5 -4.756 -2.048 -2.731 1.00 0.00 H +ATOM 87 HB2 GLN A 5 -4.893 0.749 -3.368 1.00 0.00 H +ATOM 88 HB3 GLN A 5 -3.380 0.134 -4.013 1.00 0.00 H +ATOM 89 HG2 GLN A 5 -4.946 -0.115 -5.745 1.00 0.00 H +ATOM 90 HG3 GLN A 5 -4.744 -1.721 -5.116 1.00 0.00 H +ATOM 91 HE21 GLN A 5 -6.566 -2.656 -3.852 1.00 0.00 H +ATOM 92 HE22 GLN A 5 -8.148 -1.839 -3.996 1.00 0.00 H +ATOM 93 N TRP A 6 -2.121 -0.454 -1.511 1.00 0.00 N +ATOM 94 CA TRP A 6 -0.744 -0.663 -1.057 1.00 0.00 C +ATOM 95 C TRP A 6 -0.613 -1.790 -0.020 1.00 0.00 C +ATOM 96 O TRP A 6 0.331 -2.579 -0.067 1.00 0.00 O +ATOM 97 CB TRP A 6 -0.201 0.655 -0.509 1.00 0.00 C +ATOM 98 CG TRP A 6 1.191 0.564 0.027 1.00 0.00 C +ATOM 99 CD1 TRP A 6 2.317 0.549 -0.722 1.00 0.00 C +ATOM 100 CD2 TRP A 6 1.627 0.427 1.415 1.00 0.00 C +ATOM 101 NE1 TRP A 6 3.412 0.401 0.105 1.00 0.00 N +ATOM 102 CE2 TRP A 6 3.049 0.343 1.428 1.00 0.00 C +ATOM 103 CE3 TRP A 6 0.972 0.368 2.666 1.00 0.00 C +ATOM 104 CZ2 TRP A 6 3.794 0.234 2.609 1.00 0.00 C +ATOM 105 CZ3 TRP A 6 1.709 0.249 3.860 1.00 0.00 C +ATOM 106 CH2 TRP A 6 3.114 0.197 3.837 1.00 0.00 C +ATOM 107 H TRP A 6 -2.569 0.443 -1.359 1.00 0.00 H +ATOM 108 HA TRP A 6 -0.136 -0.952 -1.917 1.00 0.00 H +ATOM 109 HB2 TRP A 6 -0.211 1.379 -1.301 1.00 0.00 H +ATOM 110 HB3 TRP A 6 -0.855 1.013 0.287 1.00 0.00 H +ATOM 111 HD1 TRP A 6 2.345 0.630 -1.800 1.00 0.00 H +ATOM 112 HE1 TRP A 6 4.387 0.366 -0.203 1.00 0.00 H +ATOM 113 HE3 TRP A 6 -0.106 0.426 2.698 1.00 0.00 H +ATOM 114 HZ2 TRP A 6 4.873 0.181 2.560 1.00 0.00 H +ATOM 115 HZ3 TRP A 6 1.192 0.211 4.808 1.00 0.00 H +ATOM 116 HH2 TRP A 6 3.670 0.129 4.761 1.00 0.00 H +ATOM 117 N LEU A 7 -1.578 -1.920 0.901 1.00 0.00 N +ATOM 118 CA LEU A 7 -1.631 -3.070 1.801 1.00 0.00 C +ATOM 119 C LEU A 7 -1.843 -4.394 1.050 1.00 0.00 C +ATOM 120 O LEU A 7 -1.191 -5.372 1.418 1.00 0.00 O +ATOM 121 CB LEU A 7 -2.686 -2.859 2.899 1.00 0.00 C +ATOM 122 CG LEU A 7 -2.268 -1.863 4.000 1.00 0.00 C +ATOM 123 CD1 LEU A 7 -3.426 -1.718 4.994 1.00 0.00 C +ATOM 124 CD2 LEU A 7 -1.023 -2.315 4.775 1.00 0.00 C +ATOM 125 H LEU A 7 -2.292 -1.197 0.964 1.00 0.00 H +ATOM 126 HA LEU A 7 -0.656 -3.165 2.275 1.00 0.00 H +ATOM 127 HB2 LEU A 7 -3.583 -2.492 2.437 1.00 0.00 H +ATOM 128 HB3 LEU A 7 -2.886 -3.821 3.373 1.00 0.00 H +ATOM 129 HG LEU A 7 -2.065 -0.889 3.560 1.00 0.00 H +ATOM 130 HD11 LEU A 7 -4.316 -1.368 4.472 1.00 0.00 H +ATOM 131 HD12 LEU A 7 -3.638 -2.679 5.461 1.00 0.00 H +ATOM 132 HD13 LEU A 7 -3.167 -0.998 5.769 1.00 0.00 H +ATOM 133 HD21 LEU A 7 -1.138 -3.351 5.097 1.00 0.00 H +ATOM 134 HD22 LEU A 7 -0.138 -2.227 4.147 1.00 0.00 H +ATOM 135 HD23 LEU A 7 -0.876 -1.684 5.651 1.00 0.00 H +ATOM 136 N LYS A 8 -2.657 -4.444 -0.024 1.00 0.00 N +ATOM 137 CA LYS A 8 -2.775 -5.659 -0.860 1.00 0.00 C +ATOM 138 C LYS A 8 -1.440 -6.118 -1.450 1.00 0.00 C +ATOM 139 O LYS A 8 -1.240 -7.322 -1.591 1.00 0.00 O +ATOM 140 CB LYS A 8 -3.774 -5.527 -2.021 1.00 0.00 C +ATOM 141 CG LYS A 8 -5.249 -5.395 -1.620 1.00 0.00 C +ATOM 142 CD LYS A 8 -6.167 -6.088 -2.648 1.00 0.00 C +ATOM 143 CE LYS A 8 -7.424 -5.268 -2.953 1.00 0.00 C +ATOM 144 NZ LYS A 8 -8.590 -6.134 -3.235 1.00 0.00 N +ATOM 145 H LYS A 8 -3.174 -3.604 -0.275 1.00 0.00 H +ATOM 146 HA LYS A 8 -3.108 -6.475 -0.218 1.00 0.00 H +ATOM 147 HB2 LYS A 8 -3.507 -4.656 -2.587 1.00 0.00 H +ATOM 148 HB3 LYS A 8 -3.662 -6.434 -2.619 1.00 0.00 H +ATOM 149 HG2 LYS A 8 -5.393 -5.849 -0.659 1.00 0.00 H +ATOM 150 HG3 LYS A 8 -5.497 -4.337 -1.541 1.00 0.00 H +ATOM 151 HD2 LYS A 8 -5.619 -6.230 -3.559 1.00 0.00 H +ATOM 152 HD3 LYS A 8 -6.435 -7.067 -2.249 1.00 0.00 H +ATOM 153 HE2 LYS A 8 -7.648 -4.648 -2.106 1.00 0.00 H +ATOM 154 HE3 LYS A 8 -7.213 -4.642 -3.824 1.00 0.00 H +ATOM 155 HZ1 LYS A 8 -8.371 -6.792 -3.971 1.00 0.00 H +ATOM 156 HZ2 LYS A 8 -8.842 -6.653 -2.403 1.00 0.00 H +ATOM 157 HZ3 LYS A 8 -9.385 -5.577 -3.521 1.00 0.00 H +ATOM 158 N ASP A 9 -0.520 -5.196 -1.760 1.00 0.00 N +ATOM 159 CA ASP A 9 0.824 -5.550 -2.228 1.00 0.00 C +ATOM 160 C ASP A 9 1.682 -6.246 -1.149 1.00 0.00 C +ATOM 161 O ASP A 9 2.738 -6.791 -1.479 1.00 0.00 O +ATOM 162 CB ASP A 9 1.569 -4.302 -2.729 1.00 0.00 C +ATOM 163 CG ASP A 9 0.926 -3.620 -3.934 1.00 0.00 C +ATOM 164 OD1 ASP A 9 0.770 -4.314 -4.963 1.00 0.00 O +ATOM 165 OD2 ASP A 9 0.694 -2.393 -3.841 1.00 0.00 O +ATOM 166 H ASP A 9 -0.774 -4.217 -1.668 1.00 0.00 H +ATOM 167 HA ASP A 9 0.732 -6.246 -3.065 1.00 0.00 H +ATOM 168 HB2 ASP A 9 1.611 -3.592 -1.925 1.00 0.00 H +ATOM 169 HB3 ASP A 9 2.563 -4.606 -3.037 1.00 0.00 H +ATOM 170 N GLY A 10 1.266 -6.215 0.128 1.00 0.00 N +ATOM 171 CA GLY A 10 2.015 -6.734 1.274 1.00 0.00 C +ATOM 172 C GLY A 10 2.595 -5.646 2.186 1.00 0.00 C +ATOM 173 O GLY A 10 3.441 -5.959 3.033 1.00 0.00 O +ATOM 174 H GLY A 10 0.348 -5.819 0.317 1.00 0.00 H +ATOM 175 HA2 GLY A 10 1.343 -7.348 1.874 1.00 0.00 H +ATOM 176 HA3 GLY A 10 2.832 -7.371 0.933 1.00 0.00 H +ATOM 177 N GLY A 11 2.188 -4.378 2.015 1.00 0.00 N +ATOM 178 CA GLY A 11 2.682 -3.258 2.815 1.00 0.00 C +ATOM 179 C GLY A 11 4.216 -3.151 2.773 1.00 0.00 C +ATOM 180 O GLY A 11 4.797 -3.293 1.691 1.00 0.00 O +ATOM 181 H GLY A 11 1.532 -4.174 1.270 1.00 0.00 H +ATOM 182 HA2 GLY A 11 2.262 -2.332 2.425 1.00 0.00 H +ATOM 183 HA3 GLY A 11 2.330 -3.391 3.837 1.00 0.00 H +ATOM 184 N PRO A 12 4.904 -2.935 3.918 1.00 0.00 N +ATOM 185 CA PRO A 12 6.365 -2.823 3.965 1.00 0.00 C +ATOM 186 C PRO A 12 7.102 -4.015 3.335 1.00 0.00 C +ATOM 187 O PRO A 12 8.165 -3.833 2.746 1.00 0.00 O +ATOM 188 CB PRO A 12 6.736 -2.681 5.447 1.00 0.00 C +ATOM 189 CG PRO A 12 5.452 -2.189 6.112 1.00 0.00 C +ATOM 190 CD PRO A 12 4.353 -2.826 5.263 1.00 0.00 C +ATOM 191 HA PRO A 12 6.658 -1.915 3.438 1.00 0.00 H +ATOM 192 HB2 PRO A 12 7.038 -3.626 5.856 1.00 0.00 H +ATOM 193 HB3 PRO A 12 7.554 -1.973 5.589 1.00 0.00 H +ATOM 194 HG2 PRO A 12 5.394 -2.523 7.130 1.00 0.00 H +ATOM 195 HG3 PRO A 12 5.394 -1.103 6.036 1.00 0.00 H +ATOM 196 HD2 PRO A 12 4.102 -3.797 5.644 1.00 0.00 H +ATOM 197 HD3 PRO A 12 3.456 -2.209 5.293 1.00 0.00 H +ATOM 198 N SER A 13 6.528 -5.228 3.414 1.00 0.00 N +ATOM 199 CA SER A 13 7.138 -6.446 2.859 1.00 0.00 C +ATOM 200 C SER A 13 7.295 -6.407 1.333 1.00 0.00 C +ATOM 201 O SER A 13 8.174 -7.073 0.792 1.00 0.00 O +ATOM 202 CB SER A 13 6.348 -7.692 3.277 1.00 0.00 C +ATOM 203 OG SER A 13 5.118 -7.809 2.592 1.00 0.00 O +ATOM 204 H SER A 13 5.614 -5.292 3.842 1.00 0.00 H +ATOM 205 HA SER A 13 8.138 -6.537 3.280 1.00 0.00 H +ATOM 206 HB2 SER A 13 6.942 -8.561 3.069 1.00 0.00 H +ATOM 207 HB3 SER A 13 6.165 -7.667 4.352 1.00 0.00 H +ATOM 208 HG SER A 13 4.500 -7.079 2.847 1.00 0.00 H +ATOM 209 N SER A 14 6.489 -5.586 0.645 1.00 0.00 N +ATOM 210 CA SER A 14 6.548 -5.376 -0.801 1.00 0.00 C +ATOM 211 C SER A 14 7.615 -4.354 -1.227 1.00 0.00 C +ATOM 212 O SER A 14 7.779 -4.098 -2.420 1.00 0.00 O +ATOM 213 CB SER A 14 5.172 -4.906 -1.282 1.00 0.00 C +ATOM 214 OG SER A 14 4.768 -5.648 -2.411 1.00 0.00 O +ATOM 215 H SER A 14 5.813 -5.042 1.173 1.00 0.00 H +ATOM 216 HA SER A 14 6.781 -6.328 -1.284 1.00 0.00 H +ATOM 217 HB2 SER A 14 4.456 -5.042 -0.494 1.00 0.00 H +ATOM 218 HB3 SER A 14 5.202 -3.849 -1.527 1.00 0.00 H +ATOM 219 HG SER A 14 4.004 -6.211 -2.103 1.00 0.00 H +ATOM 220 N GLY A 15 8.309 -3.713 -0.277 1.00 0.00 N +ATOM 221 CA GLY A 15 9.390 -2.752 -0.512 1.00 0.00 C +ATOM 222 C GLY A 15 8.950 -1.376 -1.041 1.00 0.00 C +ATOM 223 O GLY A 15 9.569 -0.373 -0.689 1.00 0.00 O +ATOM 224 H GLY A 15 8.111 -3.947 0.692 1.00 0.00 H +ATOM 225 HA2 GLY A 15 9.920 -2.595 0.428 1.00 0.00 H +ATOM 226 HA3 GLY A 15 10.093 -3.179 -1.226 1.00 0.00 H +ATOM 227 N ARG A 16 7.896 -1.304 -1.867 1.00 0.00 N +ATOM 228 CA ARG A 16 7.317 -0.041 -2.355 1.00 0.00 C +ATOM 229 C ARG A 16 6.801 0.839 -1.194 1.00 0.00 C +ATOM 230 O ARG A 16 6.157 0.315 -0.283 1.00 0.00 O +ATOM 231 CB ARG A 16 6.215 -0.292 -3.405 1.00 0.00 C +ATOM 232 CG ARG A 16 5.119 -1.280 -2.965 1.00 0.00 C +ATOM 233 CD ARG A 16 3.913 -1.309 -3.915 1.00 0.00 C +ATOM 234 NE ARG A 16 4.266 -1.765 -5.273 1.00 0.00 N +ATOM 235 CZ ARG A 16 4.470 -3.012 -5.684 1.00 0.00 C +ATOM 236 NH1 ARG A 16 4.434 -4.046 -4.877 1.00 0.00 N +ATOM 237 NH2 ARG A 16 4.742 -3.246 -6.946 1.00 0.00 N +ATOM 238 H ARG A 16 7.511 -2.196 -2.163 1.00 0.00 H +ATOM 239 HA ARG A 16 8.125 0.496 -2.848 1.00 0.00 H +ATOM 240 HB2 ARG A 16 5.747 0.647 -3.630 1.00 0.00 H +ATOM 241 HB3 ARG A 16 6.683 -0.678 -4.311 1.00 0.00 H +ATOM 242 HG2 ARG A 16 5.544 -2.264 -2.923 1.00 0.00 H +ATOM 243 HG3 ARG A 16 4.753 -1.013 -1.976 1.00 0.00 H +ATOM 244 HD2 ARG A 16 3.174 -1.974 -3.511 1.00 0.00 H +ATOM 245 HD3 ARG A 16 3.485 -0.307 -3.974 1.00 0.00 H +ATOM 246 HE ARG A 16 4.286 -1.055 -5.983 1.00 0.00 H +ATOM 247 HH11 ARG A 16 4.241 -3.927 -3.896 1.00 0.00 H +ATOM 248 HH12 ARG A 16 4.571 -4.985 -5.203 1.00 0.00 H +ATOM 249 HH21 ARG A 16 4.784 -2.494 -7.608 1.00 0.00 H +ATOM 250 HH22 ARG A 16 4.878 -4.192 -7.246 1.00 0.00 H +ATOM 251 N PRO A 17 7.021 2.169 -1.222 1.00 0.00 N +ATOM 252 CA PRO A 17 6.564 3.076 -0.168 1.00 0.00 C +ATOM 253 C PRO A 17 5.035 3.273 -0.193 1.00 0.00 C +ATOM 254 O PRO A 17 4.408 3.044 -1.232 1.00 0.00 O +ATOM 255 CB PRO A 17 7.304 4.392 -0.436 1.00 0.00 C +ATOM 256 CG PRO A 17 7.488 4.390 -1.951 1.00 0.00 C +ATOM 257 CD PRO A 17 7.717 2.912 -2.265 1.00 0.00 C +ATOM 258 HA PRO A 17 6.863 2.681 0.803 1.00 0.00 H +ATOM 259 HB2 PRO A 17 6.718 5.234 -0.121 1.00 0.00 H +ATOM 260 HB3 PRO A 17 8.279 4.364 0.050 1.00 0.00 H +ATOM 261 HG2 PRO A 17 6.611 4.759 -2.447 1.00 0.00 H +ATOM 262 HG3 PRO A 17 8.336 5.002 -2.259 1.00 0.00 H +ATOM 263 HD2 PRO A 17 7.314 2.668 -3.229 1.00 0.00 H +ATOM 264 HD3 PRO A 17 8.783 2.685 -2.219 1.00 0.00 H +ATOM 265 N PRO A 18 4.420 3.714 0.924 1.00 0.00 N +ATOM 266 CA PRO A 18 2.979 3.943 0.997 1.00 0.00 C +ATOM 267 C PRO A 18 2.541 5.167 0.167 1.00 0.00 C +ATOM 268 O PRO A 18 3.300 6.129 0.038 1.00 0.00 O +ATOM 269 CB PRO A 18 2.670 4.129 2.486 1.00 0.00 C +ATOM 270 CG PRO A 18 3.976 4.683 3.053 1.00 0.00 C +ATOM 271 CD PRO A 18 5.042 3.977 2.213 1.00 0.00 C +ATOM 272 HA PRO A 18 2.469 3.052 0.638 1.00 0.00 H +ATOM 273 HB2 PRO A 18 1.865 4.824 2.627 1.00 0.00 H +ATOM 274 HB3 PRO A 18 2.459 3.159 2.939 1.00 0.00 H +ATOM 275 HG2 PRO A 18 4.030 5.747 2.929 1.00 0.00 H +ATOM 276 HG3 PRO A 18 4.085 4.459 4.114 1.00 0.00 H +ATOM 277 HD2 PRO A 18 5.901 4.608 2.092 1.00 0.00 H +ATOM 278 HD3 PRO A 18 5.310 3.030 2.683 1.00 0.00 H +ATOM 279 N PRO A 19 1.305 5.165 -0.369 1.00 0.00 N +ATOM 280 CA PRO A 19 0.753 6.266 -1.151 1.00 0.00 C +ATOM 281 C PRO A 19 0.318 7.409 -0.226 1.00 0.00 C +ATOM 282 O PRO A 19 -0.451 7.189 0.714 1.00 0.00 O +ATOM 283 CB PRO A 19 -0.432 5.656 -1.908 1.00 0.00 C +ATOM 284 CG PRO A 19 -0.932 4.559 -0.967 1.00 0.00 C +ATOM 285 CD PRO A 19 0.347 4.074 -0.285 1.00 0.00 C +ATOM 286 HA PRO A 19 1.493 6.630 -1.865 1.00 0.00 H +ATOM 287 HB2 PRO A 19 -1.195 6.390 -2.081 1.00 0.00 H +ATOM 288 HB3 PRO A 19 -0.073 5.200 -2.833 1.00 0.00 H +ATOM 289 HG2 PRO A 19 -1.625 4.954 -0.249 1.00 0.00 H +ATOM 290 HG3 PRO A 19 -1.416 3.748 -1.510 1.00 0.00 H +ATOM 291 HD2 PRO A 19 0.150 3.833 0.742 1.00 0.00 H +ATOM 292 HD3 PRO A 19 0.754 3.228 -0.832 1.00 0.00 H +ATOM 293 N SER A 20 0.793 8.629 -0.503 1.00 0.00 N +ATOM 294 CA SER A 20 0.416 9.847 0.221 1.00 0.00 C +ATOM 295 C SER A 20 0.407 11.090 -0.662 1.00 0.00 C +ATOM 296 O SER A 20 0.891 11.013 -1.811 1.00 0.00 O +ATOM 297 CB SER A 20 1.359 10.094 1.397 1.00 0.00 C +ATOM 298 OG SER A 20 0.787 11.196 2.067 1.00 0.00 O +ATOM 299 OXT SER A 20 -0.035 12.112 -0.078 1.00 0.00 O +ATOM 300 H SER A 20 1.371 8.782 -1.320 1.00 0.00 H +ATOM 301 HA SER A 20 -0.594 9.730 0.608 1.00 0.00 H +ATOM 302 HB2 SER A 20 1.400 9.236 2.040 1.00 0.00 H +ATOM 303 HB3 SER A 20 2.353 10.357 1.025 1.00 0.00 H +ATOM 304 HG SER A 20 0.387 11.733 1.311 1.00 0.00 H +TER 305 SER A 20 +ENDMDL +MODEL 25 +ATOM 1 N ASN A 1 -8.822 3.713 -1.688 1.00 0.00 N +ATOM 2 CA ASN A 1 -7.636 4.584 -1.839 1.00 0.00 C +ATOM 3 C ASN A 1 -6.387 3.720 -2.050 1.00 0.00 C +ATOM 4 O ASN A 1 -6.449 2.520 -1.793 1.00 0.00 O +ATOM 5 CB ASN A 1 -7.493 5.546 -0.643 1.00 0.00 C +ATOM 6 CG ASN A 1 -6.684 6.775 -1.045 1.00 0.00 C +ATOM 7 OD1 ASN A 1 -5.471 6.716 -1.147 1.00 0.00 O +ATOM 8 ND2 ASN A 1 -7.325 7.882 -1.371 1.00 0.00 N +ATOM 9 H1 ASN A 1 -8.903 3.106 -2.494 1.00 0.00 H +ATOM 10 H2 ASN A 1 -8.709 3.131 -0.870 1.00 0.00 H +ATOM 11 H3 ASN A 1 -9.662 4.268 -1.598 1.00 0.00 H +ATOM 12 HA ASN A 1 -7.770 5.186 -2.739 1.00 0.00 H +ATOM 13 HB2 ASN A 1 -8.468 5.855 -0.319 1.00 0.00 H +ATOM 14 HB3 ASN A 1 -6.990 5.041 0.185 1.00 0.00 H +ATOM 15 HD21 ASN A 1 -8.323 8.004 -1.308 1.00 0.00 H +ATOM 16 HD22 ASN A 1 -6.719 8.647 -1.627 1.00 0.00 H +ATOM 17 N LEU A 2 -5.276 4.311 -2.504 1.00 0.00 N +ATOM 18 CA LEU A 2 -4.020 3.626 -2.831 1.00 0.00 C +ATOM 19 C LEU A 2 -3.471 2.838 -1.629 1.00 0.00 C +ATOM 20 O LEU A 2 -2.958 1.734 -1.800 1.00 0.00 O +ATOM 21 CB LEU A 2 -3.012 4.674 -3.361 1.00 0.00 C +ATOM 22 CG LEU A 2 -2.196 4.219 -4.592 1.00 0.00 C +ATOM 23 CD1 LEU A 2 -1.533 5.435 -5.247 1.00 0.00 C +ATOM 24 CD2 LEU A 2 -1.091 3.204 -4.289 1.00 0.00 C +ATOM 25 H LEU A 2 -5.249 5.328 -2.518 1.00 0.00 H +ATOM 26 HA LEU A 2 -4.228 2.905 -3.623 1.00 0.00 H +ATOM 27 HB2 LEU A 2 -3.558 5.557 -3.630 1.00 0.00 H +ATOM 28 HB3 LEU A 2 -2.343 4.981 -2.561 1.00 0.00 H +ATOM 29 HG LEU A 2 -2.881 3.777 -5.315 1.00 0.00 H +ATOM 30 HD11 LEU A 2 -2.296 6.145 -5.570 1.00 0.00 H +ATOM 31 HD12 LEU A 2 -0.864 5.929 -4.541 1.00 0.00 H +ATOM 32 HD13 LEU A 2 -0.962 5.119 -6.121 1.00 0.00 H +ATOM 33 HD21 LEU A 2 -0.285 3.677 -3.730 1.00 0.00 H +ATOM 34 HD22 LEU A 2 -1.483 2.363 -3.723 1.00 0.00 H +ATOM 35 HD23 LEU A 2 -0.681 2.826 -5.224 1.00 0.00 H +ATOM 36 N TYR A 3 -3.666 3.358 -0.409 1.00 0.00 N +ATOM 37 CA TYR A 3 -3.284 2.708 0.847 1.00 0.00 C +ATOM 38 C TYR A 3 -3.873 1.292 1.002 1.00 0.00 C +ATOM 39 O TYR A 3 -3.194 0.398 1.503 1.00 0.00 O +ATOM 40 CB TYR A 3 -3.690 3.607 2.030 1.00 0.00 C +ATOM 41 CG TYR A 3 -2.649 3.669 3.132 1.00 0.00 C +ATOM 42 CD1 TYR A 3 -2.390 2.535 3.927 1.00 0.00 C +ATOM 43 CD2 TYR A 3 -1.934 4.863 3.357 1.00 0.00 C +ATOM 44 CE1 TYR A 3 -1.425 2.597 4.950 1.00 0.00 C +ATOM 45 CE2 TYR A 3 -0.980 4.936 4.389 1.00 0.00 C +ATOM 46 CZ TYR A 3 -0.731 3.802 5.194 1.00 0.00 C +ATOM 47 OH TYR A 3 0.150 3.872 6.227 1.00 0.00 O +ATOM 48 H TYR A 3 -4.047 4.292 -0.362 1.00 0.00 H +ATOM 49 HA TYR A 3 -2.198 2.613 0.856 1.00 0.00 H +ATOM 50 HB2 TYR A 3 -3.852 4.601 1.660 1.00 0.00 H +ATOM 51 HB3 TYR A 3 -4.632 3.256 2.454 1.00 0.00 H +ATOM 52 HD1 TYR A 3 -2.935 1.619 3.761 1.00 0.00 H +ATOM 53 HD2 TYR A 3 -2.110 5.742 2.747 1.00 0.00 H +ATOM 54 HE1 TYR A 3 -1.221 1.739 5.572 1.00 0.00 H +ATOM 55 HE2 TYR A 3 -0.449 5.867 4.548 1.00 0.00 H +ATOM 56 HH TYR A 3 0.326 4.786 6.461 1.00 0.00 H +ATOM 57 N ILE A 4 -5.115 1.071 0.535 1.00 0.00 N +ATOM 58 CA ILE A 4 -5.776 -0.242 0.562 1.00 0.00 C +ATOM 59 C ILE A 4 -5.002 -1.217 -0.330 1.00 0.00 C +ATOM 60 O ILE A 4 -4.614 -2.289 0.122 1.00 0.00 O +ATOM 61 CB ILE A 4 -7.263 -0.143 0.130 1.00 0.00 C +ATOM 62 CG1 ILE A 4 -8.048 0.841 1.030 1.00 0.00 C +ATOM 63 CG2 ILE A 4 -7.919 -1.539 0.153 1.00 0.00 C +ATOM 64 CD1 ILE A 4 -9.483 1.110 0.557 1.00 0.00 C +ATOM 65 H ILE A 4 -5.572 1.829 0.046 1.00 0.00 H +ATOM 66 HA ILE A 4 -5.741 -0.629 1.581 1.00 0.00 H +ATOM 67 HB ILE A 4 -7.305 0.225 -0.896 1.00 0.00 H +ATOM 68 HG12 ILE A 4 -8.090 0.432 2.021 1.00 0.00 H +ATOM 69 HG13 ILE A 4 -7.535 1.802 1.049 1.00 0.00 H +ATOM 70 HG21 ILE A 4 -7.419 -2.213 -0.543 1.00 0.00 H +ATOM 71 HG22 ILE A 4 -7.865 -1.964 1.157 1.00 0.00 H +ATOM 72 HG23 ILE A 4 -8.963 -1.481 -0.153 1.00 0.00 H +ATOM 73 HD11 ILE A 4 -9.492 1.320 -0.512 1.00 0.00 H +ATOM 74 HD12 ILE A 4 -10.118 0.247 0.759 1.00 0.00 H +ATOM 75 HD13 ILE A 4 -9.887 1.968 1.096 1.00 0.00 H +ATOM 76 N GLN A 5 -4.757 -0.824 -1.585 1.00 0.00 N +ATOM 77 CA GLN A 5 -4.017 -1.607 -2.576 1.00 0.00 C +ATOM 78 C GLN A 5 -2.587 -1.900 -2.083 1.00 0.00 C +ATOM 79 O GLN A 5 -2.148 -3.047 -2.102 1.00 0.00 O +ATOM 80 CB GLN A 5 -4.057 -0.847 -3.919 1.00 0.00 C +ATOM 81 CG GLN A 5 -4.071 -1.760 -5.155 1.00 0.00 C +ATOM 82 CD GLN A 5 -2.773 -2.524 -5.382 1.00 0.00 C +ATOM 83 OE1 GLN A 5 -2.723 -3.734 -5.250 1.00 0.00 O +ATOM 84 NE2 GLN A 5 -1.697 -1.854 -5.752 1.00 0.00 N +ATOM 85 H GLN A 5 -5.059 0.104 -1.844 1.00 0.00 H +ATOM 86 HA GLN A 5 -4.528 -2.564 -2.697 1.00 0.00 H +ATOM 87 HB2 GLN A 5 -4.942 -0.241 -3.937 1.00 0.00 H +ATOM 88 HB3 GLN A 5 -3.227 -0.144 -3.981 1.00 0.00 H +ATOM 89 HG2 GLN A 5 -4.865 -2.472 -5.038 1.00 0.00 H +ATOM 90 HG3 GLN A 5 -4.268 -1.149 -6.038 1.00 0.00 H +ATOM 91 HE21 GLN A 5 -1.694 -0.862 -5.911 1.00 0.00 H +ATOM 92 HE22 GLN A 5 -0.889 -2.443 -5.884 1.00 0.00 H +ATOM 93 N TRP A 6 -1.898 -0.878 -1.557 1.00 0.00 N +ATOM 94 CA TRP A 6 -0.578 -0.992 -0.936 1.00 0.00 C +ATOM 95 C TRP A 6 -0.552 -2.023 0.205 1.00 0.00 C +ATOM 96 O TRP A 6 0.292 -2.918 0.198 1.00 0.00 O +ATOM 97 CB TRP A 6 -0.127 0.397 -0.466 1.00 0.00 C +ATOM 98 CG TRP A 6 1.249 0.448 0.122 1.00 0.00 C +ATOM 99 CD1 TRP A 6 2.402 0.437 -0.587 1.00 0.00 C +ATOM 100 CD2 TRP A 6 1.644 0.501 1.528 1.00 0.00 C +ATOM 101 NE1 TRP A 6 3.474 0.460 0.282 1.00 0.00 N +ATOM 102 CE2 TRP A 6 3.068 0.490 1.594 1.00 0.00 C +ATOM 103 CE3 TRP A 6 0.952 0.549 2.757 1.00 0.00 C +ATOM 104 CZ2 TRP A 6 3.775 0.513 2.805 1.00 0.00 C +ATOM 105 CZ3 TRP A 6 1.647 0.567 3.982 1.00 0.00 C +ATOM 106 CH2 TRP A 6 3.054 0.548 4.010 1.00 0.00 C +ATOM 107 H TRP A 6 -2.335 0.042 -1.580 1.00 0.00 H +ATOM 108 HA TRP A 6 0.127 -1.341 -1.691 1.00 0.00 H +ATOM 109 HB2 TRP A 6 -0.154 1.059 -1.310 1.00 0.00 H +ATOM 110 HB3 TRP A 6 -0.830 0.770 0.277 1.00 0.00 H +ATOM 111 HD1 TRP A 6 2.467 0.400 -1.665 1.00 0.00 H +ATOM 112 HE1 TRP A 6 4.459 0.466 0.011 1.00 0.00 H +ATOM 113 HE3 TRP A 6 -0.127 0.579 2.747 1.00 0.00 H +ATOM 114 HZ2 TRP A 6 4.854 0.502 2.796 1.00 0.00 H +ATOM 115 HZ3 TRP A 6 1.097 0.607 4.913 1.00 0.00 H +ATOM 116 HH2 TRP A 6 3.578 0.569 4.955 1.00 0.00 H +ATOM 117 N LEU A 7 -1.488 -1.942 1.163 1.00 0.00 N +ATOM 118 CA LEU A 7 -1.617 -2.951 2.219 1.00 0.00 C +ATOM 119 C LEU A 7 -1.966 -4.341 1.668 1.00 0.00 C +ATOM 120 O LEU A 7 -1.376 -5.320 2.123 1.00 0.00 O +ATOM 121 CB LEU A 7 -2.642 -2.514 3.280 1.00 0.00 C +ATOM 122 CG LEU A 7 -2.149 -1.401 4.223 1.00 0.00 C +ATOM 123 CD1 LEU A 7 -3.284 -0.995 5.164 1.00 0.00 C +ATOM 124 CD2 LEU A 7 -0.953 -1.839 5.080 1.00 0.00 C +ATOM 125 H LEU A 7 -2.154 -1.170 1.141 1.00 0.00 H +ATOM 126 HA LEU A 7 -0.644 -3.065 2.695 1.00 0.00 H +ATOM 127 HB2 LEU A 7 -3.519 -2.160 2.773 1.00 0.00 H +ATOM 128 HB3 LEU A 7 -2.902 -3.381 3.888 1.00 0.00 H +ATOM 129 HG LEU A 7 -1.860 -0.531 3.640 1.00 0.00 H +ATOM 130 HD11 LEU A 7 -4.142 -0.659 4.582 1.00 0.00 H +ATOM 131 HD12 LEU A 7 -3.579 -1.842 5.783 1.00 0.00 H +ATOM 132 HD13 LEU A 7 -2.959 -0.178 5.809 1.00 0.00 H +ATOM 133 HD21 LEU A 7 -1.180 -2.772 5.594 1.00 0.00 H +ATOM 134 HD22 LEU A 7 -0.070 -1.975 4.456 1.00 0.00 H +ATOM 135 HD23 LEU A 7 -0.724 -1.071 5.819 1.00 0.00 H +ATOM 136 N LYS A 8 -2.866 -4.444 0.675 1.00 0.00 N +ATOM 137 CA LYS A 8 -3.232 -5.709 0.014 1.00 0.00 C +ATOM 138 C LYS A 8 -1.995 -6.419 -0.554 1.00 0.00 C +ATOM 139 O LYS A 8 -1.851 -7.626 -0.374 1.00 0.00 O +ATOM 140 CB LYS A 8 -4.313 -5.443 -1.057 1.00 0.00 C +ATOM 141 CG LYS A 8 -5.232 -6.637 -1.368 1.00 0.00 C +ATOM 142 CD LYS A 8 -4.597 -7.726 -2.241 1.00 0.00 C +ATOM 143 CE LYS A 8 -5.626 -8.816 -2.553 1.00 0.00 C +ATOM 144 NZ LYS A 8 -4.979 -9.985 -3.192 1.00 0.00 N +ATOM 145 H LYS A 8 -3.334 -3.588 0.376 1.00 0.00 H +ATOM 146 HA LYS A 8 -3.648 -6.368 0.776 1.00 0.00 H +ATOM 147 HB2 LYS A 8 -4.926 -4.632 -0.716 1.00 0.00 H +ATOM 148 HB3 LYS A 8 -3.853 -5.080 -1.976 1.00 0.00 H +ATOM 149 HG2 LYS A 8 -5.526 -7.084 -0.438 1.00 0.00 H +ATOM 150 HG3 LYS A 8 -6.106 -6.251 -1.896 1.00 0.00 H +ATOM 151 HD2 LYS A 8 -4.253 -7.289 -3.159 1.00 0.00 H +ATOM 152 HD3 LYS A 8 -3.770 -8.185 -1.708 1.00 0.00 H +ATOM 153 HE2 LYS A 8 -6.094 -9.129 -1.640 1.00 0.00 H +ATOM 154 HE3 LYS A 8 -6.396 -8.398 -3.207 1.00 0.00 H +ATOM 155 HZ1 LYS A 8 -4.519 -9.702 -4.048 1.00 0.00 H +ATOM 156 HZ2 LYS A 8 -4.281 -10.374 -2.570 1.00 0.00 H +ATOM 157 HZ3 LYS A 8 -5.664 -10.700 -3.404 1.00 0.00 H +ATOM 158 N ASP A 9 -1.077 -5.668 -1.169 1.00 0.00 N +ATOM 159 CA ASP A 9 0.212 -6.164 -1.668 1.00 0.00 C +ATOM 160 C ASP A 9 1.207 -6.590 -0.560 1.00 0.00 C +ATOM 161 O ASP A 9 2.261 -7.145 -0.857 1.00 0.00 O +ATOM 162 CB ASP A 9 0.834 -5.084 -2.569 1.00 0.00 C +ATOM 163 CG ASP A 9 1.509 -5.695 -3.797 1.00 0.00 C +ATOM 164 OD1 ASP A 9 0.788 -5.935 -4.790 1.00 0.00 O +ATOM 165 OD2 ASP A 9 2.746 -5.888 -3.742 1.00 0.00 O +ATOM 166 H ASP A 9 -1.310 -4.691 -1.337 1.00 0.00 H +ATOM 167 HA ASP A 9 0.016 -7.046 -2.280 1.00 0.00 H +ATOM 168 HB2 ASP A 9 0.061 -4.414 -2.894 1.00 0.00 H +ATOM 169 HB3 ASP A 9 1.556 -4.497 -1.999 1.00 0.00 H +ATOM 170 N GLY A 10 0.892 -6.349 0.722 1.00 0.00 N +ATOM 171 CA GLY A 10 1.749 -6.664 1.870 1.00 0.00 C +ATOM 172 C GLY A 10 2.432 -5.442 2.495 1.00 0.00 C +ATOM 173 O GLY A 10 3.341 -5.612 3.316 1.00 0.00 O +ATOM 174 H GLY A 10 -0.020 -5.949 0.925 1.00 0.00 H +ATOM 175 HA2 GLY A 10 1.134 -7.131 2.639 1.00 0.00 H +ATOM 176 HA3 GLY A 10 2.517 -7.381 1.579 1.00 0.00 H +ATOM 177 N GLY A 11 2.030 -4.224 2.106 1.00 0.00 N +ATOM 178 CA GLY A 11 2.562 -2.956 2.594 1.00 0.00 C +ATOM 179 C GLY A 11 4.077 -2.849 2.377 1.00 0.00 C +ATOM 180 O GLY A 11 4.519 -2.945 1.227 1.00 0.00 O +ATOM 181 H GLY A 11 1.324 -4.158 1.376 1.00 0.00 H +ATOM 182 HA2 GLY A 11 2.087 -2.147 2.042 1.00 0.00 H +ATOM 183 HA3 GLY A 11 2.297 -2.847 3.642 1.00 0.00 H +ATOM 184 N PRO A 12 4.898 -2.704 3.442 1.00 0.00 N +ATOM 185 CA PRO A 12 6.359 -2.670 3.324 1.00 0.00 C +ATOM 186 C PRO A 12 6.945 -3.880 2.582 1.00 0.00 C +ATOM 187 O PRO A 12 7.983 -3.757 1.936 1.00 0.00 O +ATOM 188 CB PRO A 12 6.900 -2.604 4.759 1.00 0.00 C +ATOM 189 CG PRO A 12 5.728 -2.068 5.577 1.00 0.00 C +ATOM 190 CD PRO A 12 4.512 -2.626 4.845 1.00 0.00 C +ATOM 191 HA PRO A 12 6.641 -1.759 2.794 1.00 0.00 H +ATOM 192 HB2 PRO A 12 7.189 -3.579 5.102 1.00 0.00 H +ATOM 193 HB3 PRO A 12 7.769 -1.950 4.830 1.00 0.00 H +ATOM 194 HG2 PRO A 12 5.767 -2.427 6.588 1.00 0.00 H +ATOM 195 HG3 PRO A 12 5.715 -0.978 5.530 1.00 0.00 H +ATOM 196 HD2 PRO A 12 4.264 -3.600 5.220 1.00 0.00 H +ATOM 197 HD3 PRO A 12 3.657 -1.969 5.001 1.00 0.00 H +ATOM 198 N SER A 13 6.257 -5.031 2.623 1.00 0.00 N +ATOM 199 CA SER A 13 6.670 -6.282 1.972 1.00 0.00 C +ATOM 200 C SER A 13 6.824 -6.145 0.453 1.00 0.00 C +ATOM 201 O SER A 13 7.646 -6.844 -0.133 1.00 0.00 O +ATOM 202 CB SER A 13 5.666 -7.410 2.245 1.00 0.00 C +ATOM 203 OG SER A 13 5.190 -7.395 3.578 1.00 0.00 O +ATOM 204 H SER A 13 5.393 -5.044 3.149 1.00 0.00 H +ATOM 205 HA SER A 13 7.634 -6.578 2.384 1.00 0.00 H +ATOM 206 HB2 SER A 13 4.832 -7.298 1.579 1.00 0.00 H +ATOM 207 HB3 SER A 13 6.147 -8.369 2.042 1.00 0.00 H +ATOM 208 HG SER A 13 4.440 -6.757 3.610 1.00 0.00 H +ATOM 209 N SER A 14 6.065 -5.236 -0.178 1.00 0.00 N +ATOM 210 CA SER A 14 6.173 -4.951 -1.616 1.00 0.00 C +ATOM 211 C SER A 14 7.384 -4.059 -1.960 1.00 0.00 C +ATOM 212 O SER A 14 7.680 -3.817 -3.128 1.00 0.00 O +ATOM 213 CB SER A 14 4.873 -4.299 -2.106 1.00 0.00 C +ATOM 214 OG SER A 14 4.686 -4.580 -3.476 1.00 0.00 O +ATOM 215 H SER A 14 5.428 -4.670 0.375 1.00 0.00 H +ATOM 216 HA SER A 14 6.289 -5.897 -2.145 1.00 0.00 H +ATOM 217 HB2 SER A 14 4.045 -4.689 -1.546 1.00 0.00 H +ATOM 218 HB3 SER A 14 4.926 -3.220 -1.965 1.00 0.00 H +ATOM 219 HG SER A 14 3.848 -5.193 -3.590 1.00 0.00 H +ATOM 220 N GLY A 15 8.094 -3.531 -0.951 1.00 0.00 N +ATOM 221 CA GLY A 15 9.291 -2.699 -1.108 1.00 0.00 C +ATOM 222 C GLY A 15 9.020 -1.228 -1.452 1.00 0.00 C +ATOM 223 O GLY A 15 9.943 -0.418 -1.405 1.00 0.00 O +ATOM 224 H GLY A 15 7.836 -3.773 0.003 1.00 0.00 H +ATOM 225 HA2 GLY A 15 9.859 -2.730 -0.178 1.00 0.00 H +ATOM 226 HA3 GLY A 15 9.916 -3.120 -1.896 1.00 0.00 H +ATOM 227 N ARG A 16 7.772 -0.861 -1.777 1.00 0.00 N +ATOM 228 CA ARG A 16 7.352 0.518 -2.058 1.00 0.00 C +ATOM 229 C ARG A 16 6.926 1.233 -0.760 1.00 0.00 C +ATOM 230 O ARG A 16 6.220 0.619 0.040 1.00 0.00 O +ATOM 231 CB ARG A 16 6.203 0.479 -3.084 1.00 0.00 C +ATOM 232 CG ARG A 16 5.906 1.869 -3.663 1.00 0.00 C +ATOM 233 CD ARG A 16 4.859 1.824 -4.784 1.00 0.00 C +ATOM 234 NE ARG A 16 5.035 2.953 -5.722 1.00 0.00 N +ATOM 235 CZ ARG A 16 5.956 3.050 -6.675 1.00 0.00 C +ATOM 236 NH1 ARG A 16 6.818 2.086 -6.908 1.00 0.00 N +ATOM 237 NH2 ARG A 16 6.038 4.130 -7.417 1.00 0.00 N +ATOM 238 H ARG A 16 7.080 -1.599 -1.790 1.00 0.00 H +ATOM 239 HA ARG A 16 8.204 1.035 -2.496 1.00 0.00 H +ATOM 240 HB2 ARG A 16 6.476 -0.180 -3.886 1.00 0.00 H +ATOM 241 HB3 ARG A 16 5.302 0.068 -2.623 1.00 0.00 H +ATOM 242 HG2 ARG A 16 5.541 2.500 -2.875 1.00 0.00 H +ATOM 243 HG3 ARG A 16 6.835 2.270 -4.065 1.00 0.00 H +ATOM 244 HD2 ARG A 16 4.961 0.902 -5.323 1.00 0.00 H +ATOM 245 HD3 ARG A 16 3.862 1.868 -4.338 1.00 0.00 H +ATOM 246 HE ARG A 16 4.410 3.733 -5.609 1.00 0.00 H +ATOM 247 HH11 ARG A 16 6.760 1.254 -6.348 1.00 0.00 H +ATOM 248 HH12 ARG A 16 7.516 2.163 -7.627 1.00 0.00 H +ATOM 249 HH21 ARG A 16 5.407 4.899 -7.273 1.00 0.00 H +ATOM 250 HH22 ARG A 16 6.744 4.192 -8.129 1.00 0.00 H +ATOM 251 N PRO A 17 7.271 2.523 -0.549 1.00 0.00 N +ATOM 252 CA PRO A 17 6.808 3.297 0.611 1.00 0.00 C +ATOM 253 C PRO A 17 5.279 3.519 0.624 1.00 0.00 C +ATOM 254 O PRO A 17 4.632 3.367 -0.415 1.00 0.00 O +ATOM 255 CB PRO A 17 7.573 4.626 0.537 1.00 0.00 C +ATOM 256 CG PRO A 17 7.901 4.777 -0.945 1.00 0.00 C +ATOM 257 CD PRO A 17 8.157 3.337 -1.372 1.00 0.00 C +ATOM 258 HA PRO A 17 7.094 2.768 1.522 1.00 0.00 H +ATOM 259 HB2 PRO A 17 6.961 5.439 0.877 1.00 0.00 H +ATOM 260 HB3 PRO A 17 8.500 4.546 1.107 1.00 0.00 H +ATOM 261 HG2 PRO A 17 7.076 5.201 -1.484 1.00 0.00 H +ATOM 262 HG3 PRO A 17 8.773 5.411 -1.109 1.00 0.00 H +ATOM 263 HD2 PRO A 17 7.927 3.208 -2.412 1.00 0.00 H +ATOM 264 HD3 PRO A 17 9.192 3.067 -1.160 1.00 0.00 H +ATOM 265 N PRO A 18 4.694 3.905 1.780 1.00 0.00 N +ATOM 266 CA PRO A 18 3.255 4.134 1.918 1.00 0.00 C +ATOM 267 C PRO A 18 2.773 5.345 1.089 1.00 0.00 C +ATOM 268 O PRO A 18 3.434 6.387 1.085 1.00 0.00 O +ATOM 269 CB PRO A 18 2.999 4.340 3.415 1.00 0.00 C +ATOM 270 CG PRO A 18 4.345 4.826 3.946 1.00 0.00 C +ATOM 271 CD PRO A 18 5.352 4.088 3.066 1.00 0.00 C +ATOM 272 HA PRO A 18 2.740 3.228 1.610 1.00 0.00 H +ATOM 273 HB2 PRO A 18 2.235 5.077 3.575 1.00 0.00 H +ATOM 274 HB3 PRO A 18 2.750 3.384 3.875 1.00 0.00 H +ATOM 275 HG2 PRO A 18 4.442 5.889 3.834 1.00 0.00 H +ATOM 276 HG3 PRO A 18 4.476 4.586 5.001 1.00 0.00 H +ATOM 277 HD2 PRO A 18 6.245 4.671 2.949 1.00 0.00 H +ATOM 278 HD3 PRO A 18 5.572 3.112 3.500 1.00 0.00 H +ATOM 279 N PRO A 19 1.634 5.227 0.378 1.00 0.00 N +ATOM 280 CA PRO A 19 1.081 6.286 -0.462 1.00 0.00 C +ATOM 281 C PRO A 19 0.140 7.224 0.318 1.00 0.00 C +ATOM 282 O PRO A 19 -0.995 6.854 0.627 1.00 0.00 O +ATOM 283 CB PRO A 19 0.343 5.530 -1.568 1.00 0.00 C +ATOM 284 CG PRO A 19 -0.205 4.301 -0.835 1.00 0.00 C +ATOM 285 CD PRO A 19 0.881 3.994 0.190 1.00 0.00 C +ATOM 286 HA PRO A 19 1.884 6.872 -0.910 1.00 0.00 H +ATOM 287 HB2 PRO A 19 -0.453 6.123 -1.976 1.00 0.00 H +ATOM 288 HB3 PRO A 19 1.059 5.213 -2.327 1.00 0.00 H +ATOM 289 HG2 PRO A 19 -1.137 4.524 -0.353 1.00 0.00 H +ATOM 290 HG3 PRO A 19 -0.362 3.458 -1.502 1.00 0.00 H +ATOM 291 HD2 PRO A 19 0.439 3.685 1.117 1.00 0.00 H +ATOM 292 HD3 PRO A 19 1.543 3.227 -0.214 1.00 0.00 H +ATOM 293 N SER A 20 0.592 8.464 0.558 1.00 0.00 N +ATOM 294 CA SER A 20 -0.080 9.471 1.411 1.00 0.00 C +ATOM 295 C SER A 20 -0.300 8.997 2.863 1.00 0.00 C +ATOM 296 O SER A 20 -1.168 9.604 3.527 1.00 0.00 O +ATOM 297 CB SER A 20 -1.392 9.955 0.771 1.00 0.00 C +ATOM 298 OG SER A 20 -1.109 10.475 -0.508 1.00 0.00 O +ATOM 299 OXT SER A 20 0.428 8.079 3.303 1.00 0.00 O +ATOM 300 H SER A 20 1.561 8.632 0.336 1.00 0.00 H +ATOM 301 HA SER A 20 0.570 10.339 1.493 1.00 0.00 H +ATOM 302 HB2 SER A 20 -2.075 9.132 0.683 1.00 0.00 H +ATOM 303 HB3 SER A 20 -1.847 10.731 1.390 1.00 0.00 H +ATOM 304 HG SER A 20 -0.488 9.864 -0.909 1.00 0.00 H +TER 305 SER A 20 +ENDMDL +MODEL 26 +ATOM 1 N ASN A 1 -6.391 7.510 1.067 1.00 0.00 N +ATOM 2 CA ASN A 1 -7.401 6.806 0.244 1.00 0.00 C +ATOM 3 C ASN A 1 -6.844 5.505 -0.338 1.00 0.00 C +ATOM 4 O ASN A 1 -7.312 4.446 0.047 1.00 0.00 O +ATOM 5 CB ASN A 1 -8.052 7.731 -0.811 1.00 0.00 C +ATOM 6 CG ASN A 1 -9.488 7.309 -1.115 1.00 0.00 C +ATOM 7 OD1 ASN A 1 -10.112 6.606 -0.339 1.00 0.00 O +ATOM 8 ND2 ASN A 1 -10.066 7.738 -2.223 1.00 0.00 N +ATOM 9 H1 ASN A 1 -5.984 6.869 1.737 1.00 0.00 H +ATOM 10 H2 ASN A 1 -5.657 7.891 0.486 1.00 0.00 H +ATOM 11 H3 ASN A 1 -6.829 8.267 1.573 1.00 0.00 H +ATOM 12 HA ASN A 1 -8.203 6.494 0.918 1.00 0.00 H +ATOM 13 HB2 ASN A 1 -8.056 8.737 -0.438 1.00 0.00 H +ATOM 14 HB3 ASN A 1 -7.467 7.735 -1.732 1.00 0.00 H +ATOM 15 HD21 ASN A 1 -9.621 8.342 -2.895 1.00 0.00 H +ATOM 16 HD22 ASN A 1 -11.024 7.438 -2.329 1.00 0.00 H +ATOM 17 N LEU A 2 -5.809 5.545 -1.190 1.00 0.00 N +ATOM 18 CA LEU A 2 -5.260 4.361 -1.876 1.00 0.00 C +ATOM 19 C LEU A 2 -4.455 3.379 -0.984 1.00 0.00 C +ATOM 20 O LEU A 2 -3.894 2.406 -1.484 1.00 0.00 O +ATOM 21 CB LEU A 2 -4.436 4.848 -3.091 1.00 0.00 C +ATOM 22 CG LEU A 2 -4.581 3.949 -4.337 1.00 0.00 C +ATOM 23 CD1 LEU A 2 -5.961 4.101 -4.990 1.00 0.00 C +ATOM 24 CD2 LEU A 2 -3.517 4.307 -5.376 1.00 0.00 C +ATOM 25 H LEU A 2 -5.432 6.430 -1.495 1.00 0.00 H +ATOM 26 HA LEU A 2 -6.112 3.787 -2.244 1.00 0.00 H +ATOM 27 HB2 LEU A 2 -4.762 5.838 -3.347 1.00 0.00 H +ATOM 28 HB3 LEU A 2 -3.385 4.897 -2.803 1.00 0.00 H +ATOM 29 HG LEU A 2 -4.439 2.910 -4.055 1.00 0.00 H +ATOM 30 HD11 LEU A 2 -6.748 3.783 -4.309 1.00 0.00 H +ATOM 31 HD12 LEU A 2 -6.130 5.140 -5.275 1.00 0.00 H +ATOM 32 HD13 LEU A 2 -6.013 3.478 -5.884 1.00 0.00 H +ATOM 33 HD21 LEU A 2 -3.640 5.340 -5.703 1.00 0.00 H +ATOM 34 HD22 LEU A 2 -2.523 4.177 -4.947 1.00 0.00 H +ATOM 35 HD23 LEU A 2 -3.611 3.645 -6.237 1.00 0.00 H +ATOM 36 N TYR A 3 -4.393 3.603 0.335 1.00 0.00 N +ATOM 37 CA TYR A 3 -3.609 2.805 1.286 1.00 0.00 C +ATOM 38 C TYR A 3 -3.980 1.311 1.271 1.00 0.00 C +ATOM 39 O TYR A 3 -3.097 0.457 1.342 1.00 0.00 O +ATOM 40 CB TYR A 3 -3.768 3.413 2.688 1.00 0.00 C +ATOM 41 CG TYR A 3 -2.733 2.956 3.700 1.00 0.00 C +ATOM 42 CD1 TYR A 3 -1.416 3.452 3.615 1.00 0.00 C +ATOM 43 CD2 TYR A 3 -3.089 2.094 4.759 1.00 0.00 C +ATOM 44 CE1 TYR A 3 -0.459 3.085 4.578 1.00 0.00 C +ATOM 45 CE2 TYR A 3 -2.137 1.743 5.737 1.00 0.00 C +ATOM 46 CZ TYR A 3 -0.818 2.240 5.645 1.00 0.00 C +ATOM 47 OH TYR A 3 0.102 1.933 6.600 1.00 0.00 O +ATOM 48 H TYR A 3 -4.931 4.374 0.692 1.00 0.00 H +ATOM 49 HA TYR A 3 -2.558 2.880 1.004 1.00 0.00 H +ATOM 50 HB2 TYR A 3 -3.700 4.480 2.599 1.00 0.00 H +ATOM 51 HB3 TYR A 3 -4.769 3.193 3.064 1.00 0.00 H +ATOM 52 HD1 TYR A 3 -1.140 4.153 2.841 1.00 0.00 H +ATOM 53 HD2 TYR A 3 -4.101 1.723 4.839 1.00 0.00 H +ATOM 54 HE1 TYR A 3 0.543 3.484 4.536 1.00 0.00 H +ATOM 55 HE2 TYR A 3 -2.415 1.104 6.560 1.00 0.00 H +ATOM 56 HH TYR A 3 -0.304 1.658 7.423 1.00 0.00 H +ATOM 57 N ILE A 4 -5.271 0.979 1.105 1.00 0.00 N +ATOM 58 CA ILE A 4 -5.754 -0.410 1.022 1.00 0.00 C +ATOM 59 C ILE A 4 -5.089 -1.175 -0.139 1.00 0.00 C +ATOM 60 O ILE A 4 -4.712 -2.334 0.030 1.00 0.00 O +ATOM 61 CB ILE A 4 -7.299 -0.466 0.907 1.00 0.00 C +ATOM 62 CG1 ILE A 4 -8.026 0.325 2.026 1.00 0.00 C +ATOM 63 CG2 ILE A 4 -7.790 -1.925 0.951 1.00 0.00 C +ATOM 64 CD1 ILE A 4 -8.616 1.639 1.507 1.00 0.00 C +ATOM 65 H ILE A 4 -5.941 1.734 1.048 1.00 0.00 H +ATOM 66 HA ILE A 4 -5.466 -0.915 1.945 1.00 0.00 H +ATOM 67 HB ILE A 4 -7.586 -0.056 -0.062 1.00 0.00 H +ATOM 68 HG12 ILE A 4 -8.820 -0.280 2.419 1.00 0.00 H +ATOM 69 HG13 ILE A 4 -7.342 0.536 2.850 1.00 0.00 H +ATOM 70 HG21 ILE A 4 -7.387 -2.483 0.107 1.00 0.00 H +ATOM 71 HG22 ILE A 4 -7.482 -2.388 1.890 1.00 0.00 H +ATOM 72 HG23 ILE A 4 -8.878 -1.947 0.874 1.00 0.00 H +ATOM 73 HD11 ILE A 4 -7.815 2.287 1.164 1.00 0.00 H +ATOM 74 HD12 ILE A 4 -9.304 1.440 0.682 1.00 0.00 H +ATOM 75 HD13 ILE A 4 -9.164 2.137 2.308 1.00 0.00 H +ATOM 76 N GLN A 5 -4.926 -0.531 -1.304 1.00 0.00 N +ATOM 77 CA GLN A 5 -4.245 -1.108 -2.469 1.00 0.00 C +ATOM 78 C GLN A 5 -2.765 -1.396 -2.181 1.00 0.00 C +ATOM 79 O GLN A 5 -2.271 -2.461 -2.542 1.00 0.00 O +ATOM 80 CB GLN A 5 -4.387 -0.170 -3.681 1.00 0.00 C +ATOM 81 CG GLN A 5 -5.621 -0.468 -4.541 1.00 0.00 C +ATOM 82 CD GLN A 5 -5.458 -1.776 -5.310 1.00 0.00 C +ATOM 83 OE1 GLN A 5 -4.686 -1.876 -6.248 1.00 0.00 O +ATOM 84 NE2 GLN A 5 -6.163 -2.827 -4.942 1.00 0.00 N +ATOM 85 H GLN A 5 -5.175 0.448 -1.343 1.00 0.00 H +ATOM 86 HA GLN A 5 -4.705 -2.066 -2.705 1.00 0.00 H +ATOM 87 HB2 GLN A 5 -4.457 0.839 -3.324 1.00 0.00 H +ATOM 88 HB3 GLN A 5 -3.501 -0.243 -4.314 1.00 0.00 H +ATOM 89 HG2 GLN A 5 -6.481 -0.542 -3.904 1.00 0.00 H +ATOM 90 HG3 GLN A 5 -5.740 0.337 -5.267 1.00 0.00 H +ATOM 91 HE21 GLN A 5 -6.842 -2.805 -4.203 1.00 0.00 H +ATOM 92 HE22 GLN A 5 -5.976 -3.641 -5.504 1.00 0.00 H +ATOM 93 N TRP A 6 -2.070 -0.489 -1.486 1.00 0.00 N +ATOM 94 CA TRP A 6 -0.694 -0.725 -1.048 1.00 0.00 C +ATOM 95 C TRP A 6 -0.586 -1.880 -0.041 1.00 0.00 C +ATOM 96 O TRP A 6 0.293 -2.734 -0.172 1.00 0.00 O +ATOM 97 CB TRP A 6 -0.120 0.575 -0.487 1.00 0.00 C +ATOM 98 CG TRP A 6 1.275 0.460 0.036 1.00 0.00 C +ATOM 99 CD1 TRP A 6 2.391 0.368 -0.723 1.00 0.00 C +ATOM 100 CD2 TRP A 6 1.722 0.382 1.424 1.00 0.00 C +ATOM 101 NE1 TRP A 6 3.492 0.238 0.099 1.00 0.00 N +ATOM 102 CE2 TRP A 6 3.144 0.266 1.428 1.00 0.00 C +ATOM 103 CE3 TRP A 6 1.079 0.400 2.681 1.00 0.00 C +ATOM 104 CZ2 TRP A 6 3.896 0.202 2.607 1.00 0.00 C +ATOM 105 CZ3 TRP A 6 1.824 0.321 3.875 1.00 0.00 C +ATOM 106 CH2 TRP A 6 3.227 0.234 3.842 1.00 0.00 C +ATOM 107 H TRP A 6 -2.540 0.365 -1.212 1.00 0.00 H +ATOM 108 HA TRP A 6 -0.096 -1.008 -1.916 1.00 0.00 H +ATOM 109 HB2 TRP A 6 -0.125 1.309 -1.269 1.00 0.00 H +ATOM 110 HB3 TRP A 6 -0.758 0.938 0.318 1.00 0.00 H +ATOM 111 HD1 TRP A 6 2.415 0.380 -1.804 1.00 0.00 H +ATOM 112 HE1 TRP A 6 4.461 0.154 -0.221 1.00 0.00 H +ATOM 113 HE3 TRP A 6 0.002 0.485 2.724 1.00 0.00 H +ATOM 114 HZ2 TRP A 6 4.971 0.113 2.553 1.00 0.00 H +ATOM 115 HZ3 TRP A 6 1.315 0.339 4.828 1.00 0.00 H +ATOM 116 HH2 TRP A 6 3.787 0.188 4.764 1.00 0.00 H +ATOM 117 N LEU A 7 -1.509 -1.961 0.928 1.00 0.00 N +ATOM 118 CA LEU A 7 -1.576 -3.104 1.842 1.00 0.00 C +ATOM 119 C LEU A 7 -1.846 -4.428 1.109 1.00 0.00 C +ATOM 120 O LEU A 7 -1.246 -5.436 1.477 1.00 0.00 O +ATOM 121 CB LEU A 7 -2.635 -2.881 2.933 1.00 0.00 C +ATOM 122 CG LEU A 7 -2.340 -1.734 3.917 1.00 0.00 C +ATOM 123 CD1 LEU A 7 -3.514 -1.637 4.896 1.00 0.00 C +ATOM 124 CD2 LEU A 7 -1.050 -1.947 4.717 1.00 0.00 C +ATOM 125 H LEU A 7 -2.179 -1.199 1.017 1.00 0.00 H +ATOM 126 HA LEU A 7 -0.602 -3.218 2.316 1.00 0.00 H +ATOM 127 HB2 LEU A 7 -3.569 -2.670 2.449 1.00 0.00 H +ATOM 128 HB3 LEU A 7 -2.724 -3.804 3.508 1.00 0.00 H +ATOM 129 HG LEU A 7 -2.258 -0.794 3.378 1.00 0.00 H +ATOM 130 HD11 LEU A 7 -4.444 -1.501 4.345 1.00 0.00 H +ATOM 131 HD12 LEU A 7 -3.577 -2.544 5.497 1.00 0.00 H +ATOM 132 HD13 LEU A 7 -3.373 -0.786 5.557 1.00 0.00 H +ATOM 133 HD21 LEU A 7 -1.082 -2.901 5.242 1.00 0.00 H +ATOM 134 HD22 LEU A 7 -0.188 -1.932 4.050 1.00 0.00 H +ATOM 135 HD23 LEU A 7 -0.929 -1.141 5.440 1.00 0.00 H +ATOM 136 N LYS A 8 -2.690 -4.435 0.061 1.00 0.00 N +ATOM 137 CA LYS A 8 -2.971 -5.620 -0.774 1.00 0.00 C +ATOM 138 C LYS A 8 -1.703 -6.283 -1.322 1.00 0.00 C +ATOM 139 O LYS A 8 -1.660 -7.507 -1.400 1.00 0.00 O +ATOM 140 CB LYS A 8 -3.900 -5.260 -1.954 1.00 0.00 C +ATOM 141 CG LYS A 8 -5.270 -5.950 -1.934 1.00 0.00 C +ATOM 142 CD LYS A 8 -6.299 -5.296 -1.003 1.00 0.00 C +ATOM 143 CE LYS A 8 -6.225 -5.825 0.432 1.00 0.00 C +ATOM 144 NZ LYS A 8 -7.472 -5.522 1.173 1.00 0.00 N +ATOM 145 H LYS A 8 -3.165 -3.561 -0.155 1.00 0.00 H +ATOM 146 HA LYS A 8 -3.442 -6.380 -0.153 1.00 0.00 H +ATOM 147 HB2 LYS A 8 -4.061 -4.199 -1.939 1.00 0.00 H +ATOM 148 HB3 LYS A 8 -3.414 -5.561 -2.885 1.00 0.00 H +ATOM 149 HG2 LYS A 8 -5.666 -5.938 -2.931 1.00 0.00 H +ATOM 150 HG3 LYS A 8 -5.158 -7.008 -1.693 1.00 0.00 H +ATOM 151 HD2 LYS A 8 -6.123 -4.238 -0.987 1.00 0.00 H +ATOM 152 HD3 LYS A 8 -7.289 -5.514 -1.408 1.00 0.00 H +ATOM 153 HE2 LYS A 8 -6.080 -6.888 0.407 1.00 0.00 H +ATOM 154 HE3 LYS A 8 -5.360 -5.380 0.933 1.00 0.00 H +ATOM 155 HZ1 LYS A 8 -7.622 -4.522 1.214 1.00 0.00 H +ATOM 156 HZ2 LYS A 8 -8.262 -5.946 0.705 1.00 0.00 H +ATOM 157 HZ3 LYS A 8 -7.423 -5.889 2.114 1.00 0.00 H +ATOM 158 N ASP A 9 -0.697 -5.489 -1.696 1.00 0.00 N +ATOM 159 CA ASP A 9 0.578 -5.995 -2.210 1.00 0.00 C +ATOM 160 C ASP A 9 1.430 -6.676 -1.116 1.00 0.00 C +ATOM 161 O ASP A 9 2.217 -7.569 -1.419 1.00 0.00 O +ATOM 162 CB ASP A 9 1.320 -4.822 -2.871 1.00 0.00 C +ATOM 163 CG ASP A 9 2.419 -5.299 -3.819 1.00 0.00 C +ATOM 164 OD1 ASP A 9 3.520 -5.598 -3.301 1.00 0.00 O +ATOM 165 OD2 ASP A 9 2.157 -5.333 -5.040 1.00 0.00 O +ATOM 166 H ASP A 9 -0.826 -4.488 -1.630 1.00 0.00 H +ATOM 167 HA ASP A 9 0.373 -6.742 -2.979 1.00 0.00 H +ATOM 168 HB2 ASP A 9 0.614 -4.235 -3.427 1.00 0.00 H +ATOM 169 HB3 ASP A 9 1.750 -4.177 -2.102 1.00 0.00 H +ATOM 170 N GLY A 10 1.241 -6.295 0.157 1.00 0.00 N +ATOM 171 CA GLY A 10 2.072 -6.717 1.292 1.00 0.00 C +ATOM 172 C GLY A 10 2.600 -5.567 2.160 1.00 0.00 C +ATOM 173 O GLY A 10 3.329 -5.819 3.122 1.00 0.00 O +ATOM 174 H GLY A 10 0.439 -5.705 0.348 1.00 0.00 H +ATOM 175 HA2 GLY A 10 1.481 -7.376 1.928 1.00 0.00 H +ATOM 176 HA3 GLY A 10 2.933 -7.279 0.931 1.00 0.00 H +ATOM 177 N GLY A 11 2.242 -4.309 1.862 1.00 0.00 N +ATOM 178 CA GLY A 11 2.640 -3.145 2.653 1.00 0.00 C +ATOM 179 C GLY A 11 4.171 -3.021 2.779 1.00 0.00 C +ATOM 180 O GLY A 11 4.857 -3.010 1.755 1.00 0.00 O +ATOM 181 H GLY A 11 1.703 -4.147 1.019 1.00 0.00 H +ATOM 182 HA2 GLY A 11 2.262 -2.248 2.167 1.00 0.00 H +ATOM 183 HA3 GLY A 11 2.174 -3.222 3.633 1.00 0.00 H +ATOM 184 N PRO A 12 4.750 -2.936 3.998 1.00 0.00 N +ATOM 185 CA PRO A 12 6.203 -2.848 4.176 1.00 0.00 C +ATOM 186 C PRO A 12 6.986 -3.997 3.521 1.00 0.00 C +ATOM 187 O PRO A 12 8.127 -3.802 3.103 1.00 0.00 O +ATOM 188 CB PRO A 12 6.446 -2.831 5.690 1.00 0.00 C +ATOM 189 CG PRO A 12 5.113 -2.378 6.278 1.00 0.00 C +ATOM 190 CD PRO A 12 4.086 -2.931 5.293 1.00 0.00 C +ATOM 191 HA PRO A 12 6.548 -1.905 3.749 1.00 0.00 H +ATOM 192 HB2 PRO A 12 6.705 -3.810 6.045 1.00 0.00 H +ATOM 193 HB3 PRO A 12 7.253 -2.148 5.957 1.00 0.00 H +ATOM 194 HG2 PRO A 12 4.966 -2.790 7.258 1.00 0.00 H +ATOM 195 HG3 PRO A 12 5.066 -1.289 6.283 1.00 0.00 H +ATOM 196 HD2 PRO A 12 3.799 -3.927 5.571 1.00 0.00 H +ATOM 197 HD3 PRO A 12 3.196 -2.303 5.294 1.00 0.00 H +ATOM 198 N SER A 13 6.377 -5.184 3.397 1.00 0.00 N +ATOM 199 CA SER A 13 6.999 -6.365 2.789 1.00 0.00 C +ATOM 200 C SER A 13 7.090 -6.294 1.255 1.00 0.00 C +ATOM 201 O SER A 13 7.691 -7.181 0.653 1.00 0.00 O +ATOM 202 CB SER A 13 6.253 -7.630 3.234 1.00 0.00 C +ATOM 203 OG SER A 13 6.246 -7.721 4.648 1.00 0.00 O +ATOM 204 H SER A 13 5.417 -5.288 3.715 1.00 0.00 H +ATOM 205 HA SER A 13 8.023 -6.439 3.156 1.00 0.00 H +ATOM 206 HB2 SER A 13 5.242 -7.590 2.876 1.00 0.00 H +ATOM 207 HB3 SER A 13 6.749 -8.510 2.826 1.00 0.00 H +ATOM 208 HG SER A 13 7.152 -7.694 4.967 1.00 0.00 H +ATOM 209 N SER A 14 6.547 -5.244 0.623 1.00 0.00 N +ATOM 210 CA SER A 14 6.546 -5.037 -0.834 1.00 0.00 C +ATOM 211 C SER A 14 7.710 -4.195 -1.366 1.00 0.00 C +ATOM 212 O SER A 14 7.806 -3.980 -2.574 1.00 0.00 O +ATOM 213 CB SER A 14 5.255 -4.326 -1.232 1.00 0.00 C +ATOM 214 OG SER A 14 4.168 -5.191 -1.045 1.00 0.00 O +ATOM 215 H SER A 14 6.016 -4.575 1.174 1.00 0.00 H +ATOM 216 HA SER A 14 6.572 -6.003 -1.341 1.00 0.00 H +ATOM 217 HB2 SER A 14 5.126 -3.452 -0.623 1.00 0.00 H +ATOM 218 HB3 SER A 14 5.295 -4.054 -2.288 1.00 0.00 H +ATOM 219 HG SER A 14 3.879 -5.451 -2.001 1.00 0.00 H +ATOM 220 N GLY A 15 8.565 -3.636 -0.501 1.00 0.00 N +ATOM 221 CA GLY A 15 9.674 -2.757 -0.898 1.00 0.00 C +ATOM 222 C GLY A 15 9.253 -1.339 -1.324 1.00 0.00 C +ATOM 223 O GLY A 15 9.969 -0.382 -1.033 1.00 0.00 O +ATOM 224 H GLY A 15 8.424 -3.831 0.482 1.00 0.00 H +ATOM 225 HA2 GLY A 15 10.376 -2.674 -0.069 1.00 0.00 H +ATOM 226 HA3 GLY A 15 10.203 -3.214 -1.736 1.00 0.00 H +ATOM 227 N ARG A 16 8.102 -1.178 -1.996 1.00 0.00 N +ATOM 228 CA ARG A 16 7.531 0.125 -2.365 1.00 0.00 C +ATOM 229 C ARG A 16 6.961 0.857 -1.128 1.00 0.00 C +ATOM 230 O ARG A 16 6.215 0.232 -0.372 1.00 0.00 O +ATOM 231 CB ARG A 16 6.442 -0.081 -3.437 1.00 0.00 C +ATOM 232 CG ARG A 16 5.971 1.260 -4.018 1.00 0.00 C +ATOM 233 CD ARG A 16 4.982 1.094 -5.178 1.00 0.00 C +ATOM 234 NE ARG A 16 4.802 2.367 -5.907 1.00 0.00 N +ATOM 235 CZ ARG A 16 5.658 2.919 -6.763 1.00 0.00 C +ATOM 236 NH1 ARG A 16 6.787 2.331 -7.088 1.00 0.00 N +ATOM 237 NH2 ARG A 16 5.400 4.083 -7.311 1.00 0.00 N +ATOM 238 H ARG A 16 7.619 -2.035 -2.253 1.00 0.00 H +ATOM 239 HA ARG A 16 8.340 0.714 -2.794 1.00 0.00 H +ATOM 240 HB2 ARG A 16 6.841 -0.685 -4.229 1.00 0.00 H +ATOM 241 HB3 ARG A 16 5.593 -0.617 -3.009 1.00 0.00 H +ATOM 242 HG2 ARG A 16 5.493 1.822 -3.239 1.00 0.00 H +ATOM 243 HG3 ARG A 16 6.844 1.801 -4.375 1.00 0.00 H +ATOM 244 HD2 ARG A 16 5.357 0.352 -5.856 1.00 0.00 H +ATOM 245 HD3 ARG A 16 4.021 0.765 -4.779 1.00 0.00 H +ATOM 246 HE ARG A 16 3.960 2.882 -5.711 1.00 0.00 H +ATOM 247 HH11 ARG A 16 6.987 1.438 -6.674 1.00 0.00 H +ATOM 248 HH12 ARG A 16 7.437 2.753 -7.728 1.00 0.00 H +ATOM 249 HH21 ARG A 16 4.551 4.572 -7.091 1.00 0.00 H +ATOM 250 HH22 ARG A 16 6.056 4.492 -7.951 1.00 0.00 H +ATOM 251 N PRO A 17 7.229 2.166 -0.931 1.00 0.00 N +ATOM 252 CA PRO A 17 6.645 2.952 0.164 1.00 0.00 C +ATOM 253 C PRO A 17 5.124 3.174 0.002 1.00 0.00 C +ATOM 254 O PRO A 17 4.593 2.997 -1.099 1.00 0.00 O +ATOM 255 CB PRO A 17 7.407 4.284 0.146 1.00 0.00 C +ATOM 256 CG PRO A 17 7.816 4.441 -1.315 1.00 0.00 C +ATOM 257 CD PRO A 17 8.118 3.003 -1.727 1.00 0.00 C +ATOM 258 HA PRO A 17 6.829 2.440 1.109 1.00 0.00 H +ATOM 259 HB2 PRO A 17 6.773 5.093 0.456 1.00 0.00 H +ATOM 260 HB3 PRO A 17 8.301 4.200 0.766 1.00 0.00 H +ATOM 261 HG2 PRO A 17 7.016 4.853 -1.900 1.00 0.00 H +ATOM 262 HG3 PRO A 17 8.685 5.087 -1.430 1.00 0.00 H +ATOM 263 HD2 PRO A 17 7.923 2.865 -2.773 1.00 0.00 H +ATOM 264 HD3 PRO A 17 9.154 2.758 -1.485 1.00 0.00 H +ATOM 265 N PRO A 18 4.413 3.584 1.073 1.00 0.00 N +ATOM 266 CA PRO A 18 2.970 3.822 1.030 1.00 0.00 C +ATOM 267 C PRO A 18 2.594 5.069 0.201 1.00 0.00 C +ATOM 268 O PRO A 18 3.394 5.998 0.089 1.00 0.00 O +ATOM 269 CB PRO A 18 2.538 3.970 2.492 1.00 0.00 C +ATOM 270 CG PRO A 18 3.794 4.489 3.188 1.00 0.00 C +ATOM 271 CD PRO A 18 4.918 3.789 2.425 1.00 0.00 C +ATOM 272 HA PRO A 18 2.489 2.946 0.603 1.00 0.00 H +ATOM 273 HB2 PRO A 18 1.732 4.672 2.584 1.00 0.00 H +ATOM 274 HB3 PRO A 18 2.286 2.991 2.895 1.00 0.00 H +ATOM 275 HG2 PRO A 18 3.872 5.555 3.099 1.00 0.00 H +ATOM 276 HG3 PRO A 18 3.805 4.232 4.248 1.00 0.00 H +ATOM 277 HD2 PRO A 18 5.797 4.405 2.406 1.00 0.00 H +ATOM 278 HD3 PRO A 18 5.127 2.823 2.884 1.00 0.00 H +ATOM 279 N PRO A 19 1.367 5.119 -0.360 1.00 0.00 N +ATOM 280 CA PRO A 19 0.902 6.218 -1.210 1.00 0.00 C +ATOM 281 C PRO A 19 0.393 7.441 -0.434 1.00 0.00 C +ATOM 282 O PRO A 19 0.376 8.539 -0.986 1.00 0.00 O +ATOM 283 CB PRO A 19 -0.244 5.614 -2.031 1.00 0.00 C +ATOM 284 CG PRO A 19 -0.838 4.567 -1.088 1.00 0.00 C +ATOM 285 CD PRO A 19 0.396 4.036 -0.365 1.00 0.00 C +ATOM 286 HA PRO A 19 1.700 6.542 -1.881 1.00 0.00 H +ATOM 287 HB2 PRO A 19 -0.972 6.361 -2.283 1.00 0.00 H +ATOM 288 HB3 PRO A 19 0.161 5.121 -2.915 1.00 0.00 H +ATOM 289 HG2 PRO A 19 -1.529 5.013 -0.399 1.00 0.00 H +ATOM 290 HG3 PRO A 19 -1.356 3.777 -1.634 1.00 0.00 H +ATOM 291 HD2 PRO A 19 0.146 3.757 0.640 1.00 0.00 H +ATOM 292 HD3 PRO A 19 0.819 3.209 -0.930 1.00 0.00 H +ATOM 293 N SER A 20 -0.071 7.250 0.808 1.00 0.00 N +ATOM 294 CA SER A 20 -0.627 8.275 1.694 1.00 0.00 C +ATOM 295 C SER A 20 -0.615 7.810 3.147 1.00 0.00 C +ATOM 296 O SER A 20 -0.310 6.619 3.378 1.00 0.00 O +ATOM 297 CB SER A 20 -2.071 8.593 1.302 1.00 0.00 C +ATOM 298 OG SER A 20 -2.519 9.564 2.220 1.00 0.00 O +ATOM 299 OXT SER A 20 -1.045 8.668 3.958 1.00 0.00 O +ATOM 300 H SER A 20 0.027 6.343 1.249 1.00 0.00 H +ATOM 301 HA SER A 20 -0.028 9.183 1.627 1.00 0.00 H +ATOM 302 HB2 SER A 20 -2.109 8.980 0.302 1.00 0.00 H +ATOM 303 HB3 SER A 20 -2.678 7.692 1.404 1.00 0.00 H +ATOM 304 HG SER A 20 -1.976 9.352 3.052 1.00 0.00 H +TER 305 SER A 20 +ENDMDL +MODEL 27 +ATOM 1 N ASN A 1 -6.891 7.053 0.882 1.00 0.00 N +ATOM 2 CA ASN A 1 -7.783 6.096 0.185 1.00 0.00 C +ATOM 3 C ASN A 1 -7.000 4.934 -0.439 1.00 0.00 C +ATOM 4 O ASN A 1 -7.252 3.795 -0.069 1.00 0.00 O +ATOM 5 CB ASN A 1 -8.741 6.795 -0.802 1.00 0.00 C +ATOM 6 CG ASN A 1 -10.186 6.423 -0.481 1.00 0.00 C +ATOM 7 OD1 ASN A 1 -10.742 5.509 -1.060 1.00 0.00 O +ATOM 8 ND2 ASN A 1 -10.818 7.078 0.477 1.00 0.00 N +ATOM 9 H1 ASN A 1 -6.270 6.561 1.512 1.00 0.00 H +ATOM 10 H2 ASN A 1 -6.341 7.576 0.215 1.00 0.00 H +ATOM 11 H3 ASN A 1 -7.442 7.704 1.424 1.00 0.00 H +ATOM 12 HA ASN A 1 -8.409 5.625 0.947 1.00 0.00 H +ATOM 13 HB2 ASN A 1 -8.621 7.858 -0.720 1.00 0.00 H +ATOM 14 HB3 ASN A 1 -8.526 6.488 -1.827 1.00 0.00 H +ATOM 15 HD21 ASN A 1 -10.460 7.874 0.978 1.00 0.00 H +ATOM 16 HD22 ASN A 1 -11.767 6.760 0.616 1.00 0.00 H +ATOM 17 N LEU A 2 -6.006 5.194 -1.304 1.00 0.00 N +ATOM 18 CA LEU A 2 -5.176 4.163 -1.955 1.00 0.00 C +ATOM 19 C LEU A 2 -4.381 3.236 -1.006 1.00 0.00 C +ATOM 20 O LEU A 2 -3.851 2.217 -1.451 1.00 0.00 O +ATOM 21 CB LEU A 2 -4.228 4.849 -2.968 1.00 0.00 C +ATOM 22 CG LEU A 2 -4.572 4.553 -4.446 1.00 0.00 C +ATOM 23 CD1 LEU A 2 -4.888 5.843 -5.207 1.00 0.00 C +ATOM 24 CD2 LEU A 2 -3.420 3.823 -5.139 1.00 0.00 C +ATOM 25 H LEU A 2 -5.840 6.139 -1.619 1.00 0.00 H +ATOM 26 HA LEU A 2 -5.853 3.499 -2.494 1.00 0.00 H +ATOM 27 HB2 LEU A 2 -4.280 5.910 -2.815 1.00 0.00 H +ATOM 28 HB3 LEU A 2 -3.207 4.517 -2.778 1.00 0.00 H +ATOM 29 HG LEU A 2 -5.453 3.919 -4.507 1.00 0.00 H +ATOM 30 HD11 LEU A 2 -5.757 6.328 -4.763 1.00 0.00 H +ATOM 31 HD12 LEU A 2 -4.034 6.520 -5.172 1.00 0.00 H +ATOM 32 HD13 LEU A 2 -5.113 5.608 -6.248 1.00 0.00 H +ATOM 33 HD21 LEU A 2 -2.521 4.441 -5.130 1.00 0.00 H +ATOM 34 HD22 LEU A 2 -3.217 2.884 -4.623 1.00 0.00 H +ATOM 35 HD23 LEU A 2 -3.691 3.600 -6.170 1.00 0.00 H +ATOM 36 N TYR A 3 -4.322 3.538 0.295 1.00 0.00 N +ATOM 37 CA TYR A 3 -3.630 2.739 1.309 1.00 0.00 C +ATOM 38 C TYR A 3 -4.063 1.261 1.312 1.00 0.00 C +ATOM 39 O TYR A 3 -3.226 0.377 1.478 1.00 0.00 O +ATOM 40 CB TYR A 3 -3.838 3.395 2.684 1.00 0.00 C +ATOM 41 CG TYR A 3 -2.746 3.070 3.682 1.00 0.00 C +ATOM 42 CD1 TYR A 3 -1.555 3.822 3.668 1.00 0.00 C +ATOM 43 CD2 TYR A 3 -2.916 2.041 4.628 1.00 0.00 C +ATOM 44 CE1 TYR A 3 -0.528 3.543 4.588 1.00 0.00 C +ATOM 45 CE2 TYR A 3 -1.889 1.757 5.549 1.00 0.00 C +ATOM 46 CZ TYR A 3 -0.690 2.503 5.526 1.00 0.00 C +ATOM 47 OH TYR A 3 0.302 2.210 6.407 1.00 0.00 O +ATOM 48 H TYR A 3 -4.782 4.379 0.596 1.00 0.00 H +ATOM 49 HA TYR A 3 -2.564 2.767 1.081 1.00 0.00 H +ATOM 50 HB2 TYR A 3 -3.870 4.459 2.551 1.00 0.00 H +ATOM 51 HB3 TYR A 3 -4.808 3.100 3.087 1.00 0.00 H +ATOM 52 HD1 TYR A 3 -1.427 4.632 2.963 1.00 0.00 H +ATOM 53 HD2 TYR A 3 -3.834 1.470 4.653 1.00 0.00 H +ATOM 54 HE1 TYR A 3 0.367 4.148 4.584 1.00 0.00 H +ATOM 55 HE2 TYR A 3 -1.998 0.980 6.291 1.00 0.00 H +ATOM 56 HH TYR A 3 1.068 2.771 6.272 1.00 0.00 H +ATOM 57 N ILE A 4 -5.351 0.975 1.056 1.00 0.00 N +ATOM 58 CA ILE A 4 -5.888 -0.395 0.981 1.00 0.00 C +ATOM 59 C ILE A 4 -5.258 -1.202 -0.170 1.00 0.00 C +ATOM 60 O ILE A 4 -5.000 -2.397 -0.010 1.00 0.00 O +ATOM 61 CB ILE A 4 -7.431 -0.365 0.840 1.00 0.00 C +ATOM 62 CG1 ILE A 4 -8.123 0.422 1.988 1.00 0.00 C +ATOM 63 CG2 ILE A 4 -8.009 -1.791 0.799 1.00 0.00 C +ATOM 64 CD1 ILE A 4 -8.974 1.614 1.515 1.00 0.00 C +ATOM 65 H ILE A 4 -5.981 1.754 0.908 1.00 0.00 H +ATOM 66 HA ILE A 4 -5.641 -0.909 1.910 1.00 0.00 H +ATOM 67 HB ILE A 4 -7.663 0.104 -0.117 1.00 0.00 H +ATOM 68 HG12 ILE A 4 -8.761 -0.255 2.523 1.00 0.00 H +ATOM 69 HG13 ILE A 4 -7.383 0.790 2.700 1.00 0.00 H +ATOM 70 HG21 ILE A 4 -7.689 -2.299 -0.111 1.00 0.00 H +ATOM 71 HG22 ILE A 4 -7.678 -2.350 1.677 1.00 0.00 H +ATOM 72 HG23 ILE A 4 -9.099 -1.748 0.791 1.00 0.00 H +ATOM 73 HD11 ILE A 4 -8.549 2.540 1.901 1.00 0.00 H +ATOM 74 HD12 ILE A 4 -9.023 1.674 0.427 1.00 0.00 H +ATOM 75 HD13 ILE A 4 -9.990 1.511 1.898 1.00 0.00 H +ATOM 76 N GLN A 5 -5.008 -0.559 -1.320 1.00 0.00 N +ATOM 77 CA GLN A 5 -4.326 -1.156 -2.473 1.00 0.00 C +ATOM 78 C GLN A 5 -2.853 -1.433 -2.147 1.00 0.00 C +ATOM 79 O GLN A 5 -2.377 -2.543 -2.369 1.00 0.00 O +ATOM 80 CB GLN A 5 -4.472 -0.240 -3.703 1.00 0.00 C +ATOM 81 CG GLN A 5 -5.830 -0.425 -4.399 1.00 0.00 C +ATOM 82 CD GLN A 5 -6.178 0.770 -5.279 1.00 0.00 C +ATOM 83 OE1 GLN A 5 -5.720 0.909 -6.400 1.00 0.00 O +ATOM 84 NE2 GLN A 5 -7.002 1.685 -4.804 1.00 0.00 N +ATOM 85 H GLN A 5 -5.155 0.443 -1.336 1.00 0.00 H +ATOM 86 HA GLN A 5 -4.787 -2.118 -2.705 1.00 0.00 H +ATOM 87 HB2 GLN A 5 -4.380 0.781 -3.387 1.00 0.00 H +ATOM 88 HB3 GLN A 5 -3.684 -0.462 -4.425 1.00 0.00 H +ATOM 89 HG2 GLN A 5 -5.791 -1.307 -5.009 1.00 0.00 H +ATOM 90 HG3 GLN A 5 -6.617 -0.559 -3.656 1.00 0.00 H +ATOM 91 HE21 GLN A 5 -7.431 1.614 -3.898 1.00 0.00 H +ATOM 92 HE22 GLN A 5 -7.199 2.423 -5.458 1.00 0.00 H +ATOM 93 N TRP A 6 -2.147 -0.465 -1.550 1.00 0.00 N +ATOM 94 CA TRP A 6 -0.764 -0.655 -1.100 1.00 0.00 C +ATOM 95 C TRP A 6 -0.620 -1.767 -0.046 1.00 0.00 C +ATOM 96 O TRP A 6 0.292 -2.590 -0.131 1.00 0.00 O +ATOM 97 CB TRP A 6 -0.223 0.670 -0.570 1.00 0.00 C +ATOM 98 CG TRP A 6 1.164 0.588 -0.013 1.00 0.00 C +ATOM 99 CD1 TRP A 6 2.300 0.553 -0.745 1.00 0.00 C +ATOM 100 CD2 TRP A 6 1.583 0.484 1.384 1.00 0.00 C +ATOM 101 NE1 TRP A 6 3.385 0.445 0.101 1.00 0.00 N +ATOM 102 CE2 TRP A 6 3.006 0.404 1.417 1.00 0.00 C +ATOM 103 CE3 TRP A 6 0.917 0.446 2.628 1.00 0.00 C +ATOM 104 CZ2 TRP A 6 3.739 0.321 2.605 1.00 0.00 C +ATOM 105 CZ3 TRP A 6 1.641 0.345 3.833 1.00 0.00 C +ATOM 106 CH2 TRP A 6 3.047 0.297 3.825 1.00 0.00 C +ATOM 107 H TRP A 6 -2.601 0.431 -1.402 1.00 0.00 H +ATOM 108 HA TRP A 6 -0.156 -0.955 -1.957 1.00 0.00 H +ATOM 109 HB2 TRP A 6 -0.221 1.379 -1.376 1.00 0.00 H +ATOM 110 HB3 TRP A 6 -0.886 1.043 0.211 1.00 0.00 H +ATOM 111 HD1 TRP A 6 2.343 0.604 -1.827 1.00 0.00 H +ATOM 112 HE1 TRP A 6 4.363 0.430 -0.184 1.00 0.00 H +ATOM 113 HE3 TRP A 6 -0.163 0.502 2.652 1.00 0.00 H +ATOM 114 HZ2 TRP A 6 4.818 0.270 2.567 1.00 0.00 H +ATOM 115 HZ3 TRP A 6 1.113 0.309 4.774 1.00 0.00 H +ATOM 116 HH2 TRP A 6 3.594 0.239 4.756 1.00 0.00 H +ATOM 117 N LEU A 7 -1.538 -1.844 0.927 1.00 0.00 N +ATOM 118 CA LEU A 7 -1.586 -2.971 1.862 1.00 0.00 C +ATOM 119 C LEU A 7 -1.803 -4.308 1.137 1.00 0.00 C +ATOM 120 O LEU A 7 -1.174 -5.298 1.515 1.00 0.00 O +ATOM 121 CB LEU A 7 -2.666 -2.743 2.930 1.00 0.00 C +ATOM 122 CG LEU A 7 -2.317 -1.692 4.002 1.00 0.00 C +ATOM 123 CD1 LEU A 7 -3.510 -1.571 4.957 1.00 0.00 C +ATOM 124 CD2 LEU A 7 -1.074 -2.069 4.817 1.00 0.00 C +ATOM 125 H LEU A 7 -2.228 -1.098 1.006 1.00 0.00 H +ATOM 126 HA LEU A 7 -0.615 -3.051 2.349 1.00 0.00 H +ATOM 127 HB2 LEU A 7 -3.562 -2.425 2.433 1.00 0.00 H +ATOM 128 HB3 LEU A 7 -2.847 -3.693 3.438 1.00 0.00 H +ATOM 129 HG LEU A 7 -2.144 -0.726 3.537 1.00 0.00 H +ATOM 130 HD11 LEU A 7 -4.393 -1.251 4.403 1.00 0.00 H +ATOM 131 HD12 LEU A 7 -3.709 -2.532 5.432 1.00 0.00 H +ATOM 132 HD13 LEU A 7 -3.298 -0.838 5.731 1.00 0.00 H +ATOM 133 HD21 LEU A 7 -1.167 -3.087 5.199 1.00 0.00 H +ATOM 134 HD22 LEU A 7 -0.183 -1.995 4.196 1.00 0.00 H +ATOM 135 HD23 LEU A 7 -0.956 -1.382 5.655 1.00 0.00 H +ATOM 136 N LYS A 8 -2.624 -4.342 0.073 1.00 0.00 N +ATOM 137 CA LYS A 8 -2.837 -5.530 -0.770 1.00 0.00 C +ATOM 138 C LYS A 8 -1.539 -6.072 -1.384 1.00 0.00 C +ATOM 139 O LYS A 8 -1.398 -7.286 -1.490 1.00 0.00 O +ATOM 140 CB LYS A 8 -3.851 -5.224 -1.892 1.00 0.00 C +ATOM 141 CG LYS A 8 -4.867 -6.357 -2.133 1.00 0.00 C +ATOM 142 CD LYS A 8 -6.241 -6.033 -1.528 1.00 0.00 C +ATOM 143 CE LYS A 8 -6.193 -5.982 0.004 1.00 0.00 C +ATOM 144 NZ LYS A 8 -7.398 -5.322 0.557 1.00 0.00 N +ATOM 145 H LYS A 8 -3.095 -3.479 -0.180 1.00 0.00 H +ATOM 146 HA LYS A 8 -3.224 -6.323 -0.132 1.00 0.00 H +ATOM 147 HB2 LYS A 8 -4.391 -4.335 -1.628 1.00 0.00 H +ATOM 148 HB3 LYS A 8 -3.307 -5.048 -2.822 1.00 0.00 H +ATOM 149 HG2 LYS A 8 -4.979 -6.503 -3.190 1.00 0.00 H +ATOM 150 HG3 LYS A 8 -4.495 -7.304 -1.740 1.00 0.00 H +ATOM 151 HD2 LYS A 8 -6.567 -5.079 -1.897 1.00 0.00 H +ATOM 152 HD3 LYS A 8 -6.954 -6.797 -1.840 1.00 0.00 H +ATOM 153 HE2 LYS A 8 -6.136 -6.983 0.386 1.00 0.00 H +ATOM 154 HE3 LYS A 8 -5.303 -5.427 0.313 1.00 0.00 H +ATOM 155 HZ1 LYS A 8 -7.411 -4.352 0.270 1.00 0.00 H +ATOM 156 HZ2 LYS A 8 -8.235 -5.778 0.219 1.00 0.00 H +ATOM 157 HZ3 LYS A 8 -7.387 -5.360 1.567 1.00 0.00 H +ATOM 158 N ASP A 9 -0.586 -5.196 -1.733 1.00 0.00 N +ATOM 159 CA ASP A 9 0.742 -5.596 -2.224 1.00 0.00 C +ATOM 160 C ASP A 9 1.596 -6.294 -1.144 1.00 0.00 C +ATOM 161 O ASP A 9 2.602 -6.919 -1.489 1.00 0.00 O +ATOM 162 CB ASP A 9 1.544 -4.384 -2.750 1.00 0.00 C +ATOM 163 CG ASP A 9 0.978 -3.644 -3.968 1.00 0.00 C +ATOM 164 OD1 ASP A 9 0.247 -4.280 -4.760 1.00 0.00 O +ATOM 165 OD2 ASP A 9 1.381 -2.472 -4.162 1.00 0.00 O +ATOM 166 H ASP A 9 -0.811 -4.209 -1.663 1.00 0.00 H +ATOM 167 HA ASP A 9 0.611 -6.302 -3.046 1.00 0.00 H +ATOM 168 HB2 ASP A 9 1.620 -3.675 -1.948 1.00 0.00 H +ATOM 169 HB3 ASP A 9 2.528 -4.743 -3.048 1.00 0.00 H +ATOM 170 N GLY A 10 1.242 -6.171 0.145 1.00 0.00 N +ATOM 171 CA GLY A 10 2.030 -6.642 1.290 1.00 0.00 C +ATOM 172 C GLY A 10 2.603 -5.520 2.168 1.00 0.00 C +ATOM 173 O GLY A 10 3.419 -5.803 3.047 1.00 0.00 O +ATOM 174 H GLY A 10 0.348 -5.733 0.351 1.00 0.00 H +ATOM 175 HA2 GLY A 10 1.391 -7.260 1.920 1.00 0.00 H +ATOM 176 HA3 GLY A 10 2.859 -7.262 0.950 1.00 0.00 H +ATOM 177 N GLY A 11 2.213 -4.255 1.949 1.00 0.00 N +ATOM 178 CA GLY A 11 2.700 -3.121 2.734 1.00 0.00 C +ATOM 179 C GLY A 11 4.238 -3.008 2.707 1.00 0.00 C +ATOM 180 O GLY A 11 4.830 -3.106 1.626 1.00 0.00 O +ATOM 181 H GLY A 11 1.566 -4.066 1.192 1.00 0.00 H +ATOM 182 HA2 GLY A 11 2.278 -2.203 2.330 1.00 0.00 H +ATOM 183 HA3 GLY A 11 2.340 -3.242 3.755 1.00 0.00 H +ATOM 184 N PRO A 12 4.916 -2.815 3.863 1.00 0.00 N +ATOM 185 CA PRO A 12 6.378 -2.719 3.922 1.00 0.00 C +ATOM 186 C PRO A 12 7.104 -3.938 3.329 1.00 0.00 C +ATOM 187 O PRO A 12 8.203 -3.799 2.793 1.00 0.00 O +ATOM 188 CB PRO A 12 6.739 -2.555 5.405 1.00 0.00 C +ATOM 189 CG PRO A 12 5.447 -2.080 6.062 1.00 0.00 C +ATOM 190 CD PRO A 12 4.360 -2.729 5.208 1.00 0.00 C +ATOM 191 HA PRO A 12 6.689 -1.827 3.377 1.00 0.00 H +ATOM 192 HB2 PRO A 12 7.056 -3.491 5.824 1.00 0.00 H +ATOM 193 HB3 PRO A 12 7.544 -1.832 5.542 1.00 0.00 H +ATOM 194 HG2 PRO A 12 5.388 -2.415 7.080 1.00 0.00 H +ATOM 195 HG3 PRO A 12 5.375 -0.995 5.986 1.00 0.00 H +ATOM 196 HD2 PRO A 12 4.126 -3.708 5.580 1.00 0.00 H +ATOM 197 HD3 PRO A 12 3.453 -2.129 5.244 1.00 0.00 H +ATOM 198 N SER A 13 6.487 -5.126 3.383 1.00 0.00 N +ATOM 199 CA SER A 13 7.062 -6.391 2.910 1.00 0.00 C +ATOM 200 C SER A 13 7.106 -6.523 1.380 1.00 0.00 C +ATOM 201 O SER A 13 7.528 -7.564 0.882 1.00 0.00 O +ATOM 202 CB SER A 13 6.294 -7.570 3.525 1.00 0.00 C +ATOM 203 OG SER A 13 6.273 -7.463 4.938 1.00 0.00 O +ATOM 204 H SER A 13 5.554 -5.180 3.780 1.00 0.00 H +ATOM 205 HA SER A 13 8.093 -6.447 3.259 1.00 0.00 H +ATOM 206 HB2 SER A 13 5.287 -7.567 3.155 1.00 0.00 H +ATOM 207 HB3 SER A 13 6.781 -8.506 3.247 1.00 0.00 H +ATOM 208 HG SER A 13 7.175 -7.487 5.266 1.00 0.00 H +ATOM 209 N SER A 14 6.699 -5.485 0.633 1.00 0.00 N +ATOM 210 CA SER A 14 6.610 -5.482 -0.834 1.00 0.00 C +ATOM 211 C SER A 14 7.584 -4.502 -1.514 1.00 0.00 C +ATOM 212 O SER A 14 7.442 -4.206 -2.702 1.00 0.00 O +ATOM 213 CB SER A 14 5.155 -5.226 -1.232 1.00 0.00 C +ATOM 214 OG SER A 14 4.800 -6.039 -2.327 1.00 0.00 O +ATOM 215 H SER A 14 6.332 -4.681 1.131 1.00 0.00 H +ATOM 216 HA SER A 14 6.872 -6.476 -1.198 1.00 0.00 H +ATOM 217 HB2 SER A 14 4.515 -5.452 -0.401 1.00 0.00 H +ATOM 218 HB3 SER A 14 4.998 -4.181 -1.482 1.00 0.00 H +ATOM 219 HG SER A 14 3.937 -6.470 -2.076 1.00 0.00 H +ATOM 220 N GLY A 15 8.565 -3.977 -0.761 1.00 0.00 N +ATOM 221 CA GLY A 15 9.672 -3.163 -1.282 1.00 0.00 C +ATOM 222 C GLY A 15 9.268 -1.785 -1.820 1.00 0.00 C +ATOM 223 O GLY A 15 9.964 -1.240 -2.674 1.00 0.00 O +ATOM 224 H GLY A 15 8.599 -4.262 0.210 1.00 0.00 H +ATOM 225 HA2 GLY A 15 10.403 -3.009 -0.487 1.00 0.00 H +ATOM 226 HA3 GLY A 15 10.168 -3.709 -2.087 1.00 0.00 H +ATOM 227 N ARG A 16 8.140 -1.233 -1.349 1.00 0.00 N +ATOM 228 CA ARG A 16 7.498 -0.025 -1.884 1.00 0.00 C +ATOM 229 C ARG A 16 6.929 0.860 -0.758 1.00 0.00 C +ATOM 230 O ARG A 16 6.271 0.329 0.139 1.00 0.00 O +ATOM 231 CB ARG A 16 6.407 -0.441 -2.895 1.00 0.00 C +ATOM 232 CG ARG A 16 5.361 -1.404 -2.301 1.00 0.00 C +ATOM 233 CD ARG A 16 4.279 -1.827 -3.291 1.00 0.00 C +ATOM 234 NE ARG A 16 4.779 -2.819 -4.260 1.00 0.00 N +ATOM 235 CZ ARG A 16 4.349 -2.952 -5.509 1.00 0.00 C +ATOM 236 NH1 ARG A 16 3.327 -2.269 -5.969 1.00 0.00 N +ATOM 237 NH2 ARG A 16 4.939 -3.800 -6.319 1.00 0.00 N +ATOM 238 H ARG A 16 7.655 -1.742 -0.622 1.00 0.00 H +ATOM 239 HA ARG A 16 8.255 0.540 -2.429 1.00 0.00 H +ATOM 240 HB2 ARG A 16 5.902 0.443 -3.234 1.00 0.00 H +ATOM 241 HB3 ARG A 16 6.890 -0.927 -3.745 1.00 0.00 H +ATOM 242 HG2 ARG A 16 5.869 -2.285 -1.958 1.00 0.00 H +ATOM 243 HG3 ARG A 16 4.860 -0.926 -1.472 1.00 0.00 H +ATOM 244 HD2 ARG A 16 3.459 -2.256 -2.747 1.00 0.00 H +ATOM 245 HD3 ARG A 16 3.903 -0.939 -3.800 1.00 0.00 H +ATOM 246 HE ARG A 16 5.524 -3.428 -3.947 1.00 0.00 H +ATOM 247 HH11 ARG A 16 2.617 -2.056 -5.244 1.00 0.00 H +ATOM 248 HH12 ARG A 16 3.019 -2.337 -6.918 1.00 0.00 H +ATOM 249 HH21 ARG A 16 5.659 -4.401 -5.958 1.00 0.00 H +ATOM 250 HH22 ARG A 16 4.587 -3.922 -7.250 1.00 0.00 H +ATOM 251 N PRO A 17 7.128 2.192 -0.787 1.00 0.00 N +ATOM 252 CA PRO A 17 6.585 3.097 0.228 1.00 0.00 C +ATOM 253 C PRO A 17 5.060 3.276 0.076 1.00 0.00 C +ATOM 254 O PRO A 17 4.523 3.016 -1.003 1.00 0.00 O +ATOM 255 CB PRO A 17 7.327 4.419 0.005 1.00 0.00 C +ATOM 256 CG PRO A 17 7.594 4.418 -1.499 1.00 0.00 C +ATOM 257 CD PRO A 17 7.848 2.945 -1.807 1.00 0.00 C +ATOM 258 HA PRO A 17 6.811 2.711 1.221 1.00 0.00 H +ATOM 259 HB2 PRO A 17 6.717 5.255 0.287 1.00 0.00 H +ATOM 260 HB3 PRO A 17 8.275 4.397 0.543 1.00 0.00 H +ATOM 261 HG2 PRO A 17 6.743 4.783 -2.041 1.00 0.00 H +ATOM 262 HG3 PRO A 17 8.452 5.039 -1.758 1.00 0.00 H +ATOM 263 HD2 PRO A 17 7.478 2.699 -2.783 1.00 0.00 H +ATOM 264 HD3 PRO A 17 8.915 2.731 -1.732 1.00 0.00 H +ATOM 265 N PRO A 18 4.352 3.730 1.131 1.00 0.00 N +ATOM 266 CA PRO A 18 2.910 3.955 1.082 1.00 0.00 C +ATOM 267 C PRO A 18 2.524 5.163 0.203 1.00 0.00 C +ATOM 268 O PRO A 18 3.330 6.074 0.016 1.00 0.00 O +ATOM 269 CB PRO A 18 2.481 4.156 2.540 1.00 0.00 C +ATOM 270 CG PRO A 18 3.734 4.715 3.207 1.00 0.00 C +ATOM 271 CD PRO A 18 4.864 4.002 2.467 1.00 0.00 C +ATOM 272 HA PRO A 18 2.431 3.060 0.690 1.00 0.00 H +ATOM 273 HB2 PRO A 18 1.667 4.852 2.608 1.00 0.00 H +ATOM 274 HB3 PRO A 18 2.235 3.190 2.981 1.00 0.00 H +ATOM 275 HG2 PRO A 18 3.798 5.778 3.077 1.00 0.00 H +ATOM 276 HG3 PRO A 18 3.753 4.504 4.277 1.00 0.00 H +ATOM 277 HD2 PRO A 18 5.732 4.631 2.414 1.00 0.00 H +ATOM 278 HD3 PRO A 18 5.090 3.058 2.966 1.00 0.00 H +ATOM 279 N PRO A 19 1.275 5.206 -0.306 1.00 0.00 N +ATOM 280 CA PRO A 19 0.771 6.284 -1.164 1.00 0.00 C +ATOM 281 C PRO A 19 0.330 7.537 -0.389 1.00 0.00 C +ATOM 282 O PRO A 19 0.160 8.598 -0.988 1.00 0.00 O +ATOM 283 CB PRO A 19 -0.429 5.664 -1.889 1.00 0.00 C +ATOM 284 CG PRO A 19 -0.979 4.669 -0.864 1.00 0.00 C +ATOM 285 CD PRO A 19 0.284 4.149 -0.189 1.00 0.00 C +ATOM 286 HA PRO A 19 1.528 6.574 -1.894 1.00 0.00 H +ATOM 287 HB2 PRO A 19 -1.160 6.411 -2.131 1.00 0.00 H +ATOM 288 HB3 PRO A 19 -0.083 5.121 -2.771 1.00 0.00 H +ATOM 289 HG2 PRO A 19 -1.622 5.157 -0.157 1.00 0.00 H +ATOM 290 HG3 PRO A 19 -1.531 3.860 -1.339 1.00 0.00 H +ATOM 291 HD2 PRO A 19 0.091 3.933 0.844 1.00 0.00 H +ATOM 292 HD3 PRO A 19 0.650 3.279 -0.729 1.00 0.00 H +ATOM 293 N SER A 20 0.116 7.403 0.925 1.00 0.00 N +ATOM 294 CA SER A 20 -0.336 8.429 1.868 1.00 0.00 C +ATOM 295 C SER A 20 0.288 8.158 3.235 1.00 0.00 C +ATOM 296 O SER A 20 1.091 8.990 3.697 1.00 0.00 O +ATOM 297 CB SER A 20 -1.868 8.401 1.974 1.00 0.00 C +ATOM 298 OG SER A 20 -2.214 7.177 2.590 1.00 0.00 O +ATOM 299 OXT SER A 20 -0.112 7.093 3.776 1.00 0.00 O +ATOM 300 H SER A 20 0.272 6.489 1.323 1.00 0.00 H +ATOM 301 HA SER A 20 -0.007 9.414 1.535 1.00 0.00 H +ATOM 302 HB2 SER A 20 -2.212 9.224 2.570 1.00 0.00 H +ATOM 303 HB3 SER A 20 -2.324 8.479 0.986 1.00 0.00 H +ATOM 304 HG SER A 20 -1.394 7.015 3.184 1.00 0.00 H +TER 305 SER A 20 +ENDMDL +MODEL 28 +ATOM 1 N ASN A 1 -4.637 8.314 0.281 1.00 0.00 N +ATOM 2 CA ASN A 1 -5.414 7.451 -0.654 1.00 0.00 C +ATOM 3 C ASN A 1 -4.552 6.258 -1.103 1.00 0.00 C +ATOM 4 O ASN A 1 -3.410 6.182 -0.671 1.00 0.00 O +ATOM 5 CB ASN A 1 -5.986 8.274 -1.830 1.00 0.00 C +ATOM 6 CG ASN A 1 -7.060 7.510 -2.606 1.00 0.00 C +ATOM 7 OD1 ASN A 1 -7.598 6.525 -2.122 1.00 0.00 O +ATOM 8 ND2 ASN A 1 -7.361 7.888 -3.833 1.00 0.00 N +ATOM 9 H1 ASN A 1 -4.274 7.750 1.038 1.00 0.00 H +ATOM 10 H2 ASN A 1 -3.845 8.730 -0.193 1.00 0.00 H +ATOM 11 H3 ASN A 1 -5.220 9.048 0.659 1.00 0.00 H +ATOM 12 HA ASN A 1 -6.264 7.034 -0.107 1.00 0.00 H +ATOM 13 HB2 ASN A 1 -6.417 9.177 -1.442 1.00 0.00 H +ATOM 14 HB3 ASN A 1 -5.178 8.555 -2.505 1.00 0.00 H +ATOM 15 HD21 ASN A 1 -6.930 8.673 -4.294 1.00 0.00 H +ATOM 16 HD22 ASN A 1 -8.069 7.331 -4.288 1.00 0.00 H +ATOM 17 N LEU A 2 -5.081 5.309 -1.895 1.00 0.00 N +ATOM 18 CA LEU A 2 -4.421 4.095 -2.428 1.00 0.00 C +ATOM 19 C LEU A 2 -3.907 3.086 -1.373 1.00 0.00 C +ATOM 20 O LEU A 2 -3.438 2.004 -1.727 1.00 0.00 O +ATOM 21 CB LEU A 2 -3.323 4.462 -3.461 1.00 0.00 C +ATOM 22 CG LEU A 2 -3.852 4.852 -4.858 1.00 0.00 C +ATOM 23 CD1 LEU A 2 -4.240 6.330 -4.955 1.00 0.00 C +ATOM 24 CD2 LEU A 2 -2.790 4.587 -5.929 1.00 0.00 C +ATOM 25 H LEU A 2 -6.060 5.437 -2.149 1.00 0.00 H +ATOM 26 HA LEU A 2 -5.183 3.538 -2.975 1.00 0.00 H +ATOM 27 HB2 LEU A 2 -2.763 5.291 -3.073 1.00 0.00 H +ATOM 28 HB3 LEU A 2 -2.689 3.583 -3.592 1.00 0.00 H +ATOM 29 HG LEU A 2 -4.724 4.242 -5.093 1.00 0.00 H +ATOM 30 HD11 LEU A 2 -5.010 6.557 -4.229 1.00 0.00 H +ATOM 31 HD12 LEU A 2 -3.370 6.961 -4.774 1.00 0.00 H +ATOM 32 HD13 LEU A 2 -4.633 6.540 -5.950 1.00 0.00 H +ATOM 33 HD21 LEU A 2 -1.903 5.190 -5.739 1.00 0.00 H +ATOM 34 HD22 LEU A 2 -2.517 3.530 -5.926 1.00 0.00 H +ATOM 35 HD23 LEU A 2 -3.189 4.833 -6.912 1.00 0.00 H +ATOM 36 N TYR A 3 -4.044 3.394 -0.080 1.00 0.00 N +ATOM 37 CA TYR A 3 -3.489 2.632 1.037 1.00 0.00 C +ATOM 38 C TYR A 3 -3.961 1.172 1.078 1.00 0.00 C +ATOM 39 O TYR A 3 -3.161 0.277 1.338 1.00 0.00 O +ATOM 40 CB TYR A 3 -3.815 3.362 2.349 1.00 0.00 C +ATOM 41 CG TYR A 3 -2.670 3.331 3.335 1.00 0.00 C +ATOM 42 CD1 TYR A 3 -2.480 2.213 4.167 1.00 0.00 C +ATOM 43 CD2 TYR A 3 -1.776 4.416 3.400 1.00 0.00 C +ATOM 44 CE1 TYR A 3 -1.407 2.188 5.077 1.00 0.00 C +ATOM 45 CE2 TYR A 3 -0.707 4.403 4.312 1.00 0.00 C +ATOM 46 CZ TYR A 3 -0.523 3.285 5.158 1.00 0.00 C +ATOM 47 OH TYR A 3 0.472 3.267 6.085 1.00 0.00 O +ATOM 48 H TYR A 3 -4.369 4.327 0.113 1.00 0.00 H +ATOM 49 HA TYR A 3 -2.405 2.622 0.917 1.00 0.00 H +ATOM 50 HB2 TYR A 3 -4.046 4.385 2.124 1.00 0.00 H +ATOM 51 HB3 TYR A 3 -4.703 2.925 2.808 1.00 0.00 H +ATOM 52 HD1 TYR A 3 -3.164 1.380 4.111 1.00 0.00 H +ATOM 53 HD2 TYR A 3 -1.914 5.270 2.750 1.00 0.00 H +ATOM 54 HE1 TYR A 3 -1.257 1.345 5.732 1.00 0.00 H +ATOM 55 HE2 TYR A 3 -0.031 5.245 4.351 1.00 0.00 H +ATOM 56 HH TYR A 3 0.616 4.135 6.463 1.00 0.00 H +ATOM 57 N ILE A 4 -5.240 0.915 0.764 1.00 0.00 N +ATOM 58 CA ILE A 4 -5.800 -0.440 0.662 1.00 0.00 C +ATOM 59 C ILE A 4 -5.054 -1.256 -0.409 1.00 0.00 C +ATOM 60 O ILE A 4 -4.725 -2.421 -0.194 1.00 0.00 O +ATOM 61 CB ILE A 4 -7.321 -0.381 0.365 1.00 0.00 C +ATOM 62 CG1 ILE A 4 -8.099 0.508 1.368 1.00 0.00 C +ATOM 63 CG2 ILE A 4 -7.932 -1.793 0.371 1.00 0.00 C +ATOM 64 CD1 ILE A 4 -8.620 1.792 0.710 1.00 0.00 C +ATOM 65 H ILE A 4 -5.837 1.705 0.575 1.00 0.00 H +ATOM 66 HA ILE A 4 -5.656 -0.946 1.618 1.00 0.00 H +ATOM 67 HB ILE A 4 -7.455 0.022 -0.641 1.00 0.00 H +ATOM 68 HG12 ILE A 4 -8.933 -0.049 1.751 1.00 0.00 H +ATOM 69 HG13 ILE A 4 -7.469 0.772 2.219 1.00 0.00 H +ATOM 70 HG21 ILE A 4 -7.495 -2.396 -0.421 1.00 0.00 H +ATOM 71 HG22 ILE A 4 -7.751 -2.278 1.331 1.00 0.00 H +ATOM 72 HG23 ILE A 4 -9.007 -1.735 0.196 1.00 0.00 H +ATOM 73 HD11 ILE A 4 -7.790 2.390 0.335 1.00 0.00 H +ATOM 74 HD12 ILE A 4 -9.288 1.538 -0.114 1.00 0.00 H +ATOM 75 HD13 ILE A 4 -9.178 2.375 1.445 1.00 0.00 H +ATOM 76 N GLN A 5 -4.758 -0.632 -1.557 1.00 0.00 N +ATOM 77 CA GLN A 5 -4.009 -1.246 -2.650 1.00 0.00 C +ATOM 78 C GLN A 5 -2.556 -1.532 -2.257 1.00 0.00 C +ATOM 79 O GLN A 5 -2.056 -2.621 -2.522 1.00 0.00 O +ATOM 80 CB GLN A 5 -4.126 -0.385 -3.921 1.00 0.00 C +ATOM 81 CG GLN A 5 -4.525 -1.255 -5.121 1.00 0.00 C +ATOM 82 CD GLN A 5 -4.816 -0.407 -6.354 1.00 0.00 C +ATOM 83 OE1 GLN A 5 -5.867 0.201 -6.470 1.00 0.00 O +ATOM 84 NE2 GLN A 5 -3.916 -0.347 -7.314 1.00 0.00 N +ATOM 85 H GLN A 5 -4.955 0.358 -1.625 1.00 0.00 H +ATOM 86 HA GLN A 5 -4.460 -2.209 -2.849 1.00 0.00 H +ATOM 87 HB2 GLN A 5 -4.872 0.371 -3.769 1.00 0.00 H +ATOM 88 HB3 GLN A 5 -3.180 0.117 -4.130 1.00 0.00 H +ATOM 89 HG2 GLN A 5 -3.722 -1.931 -5.344 1.00 0.00 H +ATOM 90 HG3 GLN A 5 -5.434 -1.805 -4.876 1.00 0.00 H +ATOM 91 HE21 GLN A 5 -3.043 -0.844 -7.271 1.00 0.00 H +ATOM 92 HE22 GLN A 5 -4.190 0.218 -8.099 1.00 0.00 H +ATOM 93 N TRP A 6 -1.905 -0.591 -1.563 1.00 0.00 N +ATOM 94 CA TRP A 6 -0.573 -0.794 -0.989 1.00 0.00 C +ATOM 95 C TRP A 6 -0.539 -1.937 0.047 1.00 0.00 C +ATOM 96 O TRP A 6 0.365 -2.772 0.016 1.00 0.00 O +ATOM 97 CB TRP A 6 -0.090 0.537 -0.404 1.00 0.00 C +ATOM 98 CG TRP A 6 1.273 0.496 0.209 1.00 0.00 C +ATOM 99 CD1 TRP A 6 2.441 0.483 -0.473 1.00 0.00 C +ATOM 100 CD2 TRP A 6 1.630 0.425 1.623 1.00 0.00 C +ATOM 101 NE1 TRP A 6 3.492 0.396 0.418 1.00 0.00 N +ATOM 102 CE2 TRP A 6 3.053 0.371 1.722 1.00 0.00 C +ATOM 103 CE3 TRP A 6 0.899 0.398 2.830 1.00 0.00 C +ATOM 104 CZ2 TRP A 6 3.719 0.302 2.954 1.00 0.00 C +ATOM 105 CZ3 TRP A 6 1.557 0.314 4.072 1.00 0.00 C +ATOM 106 CH2 TRP A 6 2.961 0.267 4.137 1.00 0.00 C +ATOM 107 H TRP A 6 -2.385 0.292 -1.412 1.00 0.00 H +ATOM 108 HA TRP A 6 0.108 -1.080 -1.790 1.00 0.00 H +ATOM 109 HB2 TRP A 6 -0.079 1.264 -1.193 1.00 0.00 H +ATOM 110 HB3 TRP A 6 -0.793 0.874 0.356 1.00 0.00 H +ATOM 111 HD1 TRP A 6 2.536 0.516 -1.550 1.00 0.00 H +ATOM 112 HE1 TRP A 6 4.475 0.350 0.133 1.00 0.00 H +ATOM 113 HE3 TRP A 6 -0.179 0.447 2.791 1.00 0.00 H +ATOM 114 HZ2 TRP A 6 4.797 0.257 2.979 1.00 0.00 H +ATOM 115 HZ3 TRP A 6 0.979 0.296 4.987 1.00 0.00 H +ATOM 116 HH2 TRP A 6 3.455 0.210 5.097 1.00 0.00 H +ATOM 117 N LEU A 7 -1.539 -2.023 0.936 1.00 0.00 N +ATOM 118 CA LEU A 7 -1.647 -3.114 1.911 1.00 0.00 C +ATOM 119 C LEU A 7 -1.880 -4.491 1.263 1.00 0.00 C +ATOM 120 O LEU A 7 -1.299 -5.464 1.739 1.00 0.00 O +ATOM 121 CB LEU A 7 -2.744 -2.801 2.945 1.00 0.00 C +ATOM 122 CG LEU A 7 -2.387 -1.679 3.942 1.00 0.00 C +ATOM 123 CD1 LEU A 7 -3.618 -1.346 4.787 1.00 0.00 C +ATOM 124 CD2 LEU A 7 -1.248 -2.065 4.893 1.00 0.00 C +ATOM 125 H LEU A 7 -2.229 -1.275 0.955 1.00 0.00 H +ATOM 126 HA LEU A 7 -0.693 -3.194 2.432 1.00 0.00 H +ATOM 127 HB2 LEU A 7 -3.630 -2.508 2.415 1.00 0.00 H +ATOM 128 HB3 LEU A 7 -2.953 -3.706 3.517 1.00 0.00 H +ATOM 129 HG LEU A 7 -2.088 -0.784 3.401 1.00 0.00 H +ATOM 130 HD11 LEU A 7 -4.425 -0.996 4.140 1.00 0.00 H +ATOM 131 HD12 LEU A 7 -3.951 -2.230 5.330 1.00 0.00 H +ATOM 132 HD13 LEU A 7 -3.378 -0.561 5.504 1.00 0.00 H +ATOM 133 HD21 LEU A 7 -1.499 -2.980 5.429 1.00 0.00 H +ATOM 134 HD22 LEU A 7 -0.325 -2.214 4.336 1.00 0.00 H +ATOM 135 HD23 LEU A 7 -1.082 -1.265 5.612 1.00 0.00 H +ATOM 136 N LYS A 8 -2.664 -4.593 0.174 1.00 0.00 N +ATOM 137 CA LYS A 8 -2.892 -5.859 -0.562 1.00 0.00 C +ATOM 138 C LYS A 8 -1.591 -6.528 -1.022 1.00 0.00 C +ATOM 139 O LYS A 8 -1.477 -7.746 -0.936 1.00 0.00 O +ATOM 140 CB LYS A 8 -3.818 -5.628 -1.769 1.00 0.00 C +ATOM 141 CG LYS A 8 -5.295 -5.486 -1.357 1.00 0.00 C +ATOM 142 CD LYS A 8 -6.116 -4.646 -2.351 1.00 0.00 C +ATOM 143 CE LYS A 8 -6.882 -5.452 -3.401 1.00 0.00 C +ATOM 144 NZ LYS A 8 -7.477 -4.544 -4.411 1.00 0.00 N +ATOM 145 H LYS A 8 -3.145 -3.750 -0.132 1.00 0.00 H +ATOM 146 HA LYS A 8 -3.367 -6.574 0.111 1.00 0.00 H +ATOM 147 HB2 LYS A 8 -3.512 -4.730 -2.271 1.00 0.00 H +ATOM 148 HB3 LYS A 8 -3.736 -6.467 -2.462 1.00 0.00 H +ATOM 149 HG2 LYS A 8 -5.729 -6.465 -1.296 1.00 0.00 H +ATOM 150 HG3 LYS A 8 -5.344 -4.993 -0.387 1.00 0.00 H +ATOM 151 HD2 LYS A 8 -6.826 -4.068 -1.791 1.00 0.00 H +ATOM 152 HD3 LYS A 8 -5.454 -3.961 -2.867 1.00 0.00 H +ATOM 153 HE2 LYS A 8 -6.208 -6.131 -3.888 1.00 0.00 H +ATOM 154 HE3 LYS A 8 -7.667 -6.022 -2.896 1.00 0.00 H +ATOM 155 HZ1 LYS A 8 -8.054 -3.846 -3.961 1.00 0.00 H +ATOM 156 HZ2 LYS A 8 -6.746 -4.071 -4.926 1.00 0.00 H +ATOM 157 HZ3 LYS A 8 -8.047 -5.062 -5.068 1.00 0.00 H +ATOM 158 N ASP A 9 -0.606 -5.739 -1.457 1.00 0.00 N +ATOM 159 CA ASP A 9 0.739 -6.198 -1.825 1.00 0.00 C +ATOM 160 C ASP A 9 1.651 -6.499 -0.611 1.00 0.00 C +ATOM 161 O ASP A 9 2.838 -6.780 -0.797 1.00 0.00 O +ATOM 162 CB ASP A 9 1.370 -5.155 -2.771 1.00 0.00 C +ATOM 163 CG ASP A 9 1.177 -5.531 -4.240 1.00 0.00 C +ATOM 164 OD1 ASP A 9 0.135 -5.136 -4.811 1.00 0.00 O +ATOM 165 OD2 ASP A 9 2.077 -6.215 -4.775 1.00 0.00 O +ATOM 166 H ASP A 9 -0.801 -4.748 -1.533 1.00 0.00 H +ATOM 167 HA ASP A 9 0.652 -7.136 -2.376 1.00 0.00 H +ATOM 168 HB2 ASP A 9 0.911 -4.202 -2.593 1.00 0.00 H +ATOM 169 HB3 ASP A 9 2.441 -5.088 -2.597 1.00 0.00 H +ATOM 170 N GLY A 10 1.167 -6.398 0.637 1.00 0.00 N +ATOM 171 CA GLY A 10 1.944 -6.694 1.851 1.00 0.00 C +ATOM 172 C GLY A 10 2.520 -5.474 2.584 1.00 0.00 C +ATOM 173 O GLY A 10 3.356 -5.650 3.475 1.00 0.00 O +ATOM 174 H GLY A 10 0.189 -6.147 0.762 1.00 0.00 H +ATOM 175 HA2 GLY A 10 1.294 -7.220 2.549 1.00 0.00 H +ATOM 176 HA3 GLY A 10 2.770 -7.362 1.607 1.00 0.00 H +ATOM 177 N GLY A 11 2.100 -4.254 2.229 1.00 0.00 N +ATOM 178 CA GLY A 11 2.528 -2.992 2.832 1.00 0.00 C +ATOM 179 C GLY A 11 4.060 -2.837 2.922 1.00 0.00 C +ATOM 180 O GLY A 11 4.712 -2.686 1.888 1.00 0.00 O +ATOM 181 H GLY A 11 1.508 -4.184 1.407 1.00 0.00 H +ATOM 182 HA2 GLY A 11 2.150 -2.182 2.211 1.00 0.00 H +ATOM 183 HA3 GLY A 11 2.067 -2.896 3.812 1.00 0.00 H +ATOM 184 N PRO A 12 4.678 -2.872 4.125 1.00 0.00 N +ATOM 185 CA PRO A 12 6.137 -2.792 4.262 1.00 0.00 C +ATOM 186 C PRO A 12 6.903 -3.861 3.466 1.00 0.00 C +ATOM 187 O PRO A 12 8.043 -3.629 3.069 1.00 0.00 O +ATOM 188 CB PRO A 12 6.429 -2.936 5.761 1.00 0.00 C +ATOM 189 CG PRO A 12 5.120 -2.531 6.433 1.00 0.00 C +ATOM 190 CD PRO A 12 4.058 -2.991 5.436 1.00 0.00 C +ATOM 191 HA PRO A 12 6.463 -1.808 3.926 1.00 0.00 H +ATOM 192 HB2 PRO A 12 6.685 -3.949 6.004 1.00 0.00 H +ATOM 193 HB3 PRO A 12 7.254 -2.292 6.069 1.00 0.00 H +ATOM 194 HG2 PRO A 12 5.002 -3.028 7.377 1.00 0.00 H +ATOM 195 HG3 PRO A 12 5.080 -1.447 6.534 1.00 0.00 H +ATOM 196 HD2 PRO A 12 3.779 -4.009 5.628 1.00 0.00 H +ATOM 197 HD3 PRO A 12 3.172 -2.363 5.530 1.00 0.00 H +ATOM 198 N SER A 13 6.278 -5.017 3.209 1.00 0.00 N +ATOM 199 CA SER A 13 6.884 -6.142 2.489 1.00 0.00 C +ATOM 200 C SER A 13 6.737 -6.043 0.960 1.00 0.00 C +ATOM 201 O SER A 13 7.147 -6.960 0.254 1.00 0.00 O +ATOM 202 CB SER A 13 6.306 -7.461 3.021 1.00 0.00 C +ATOM 203 OG SER A 13 6.621 -7.599 4.395 1.00 0.00 O +ATOM 204 H SER A 13 5.320 -5.131 3.531 1.00 0.00 H +ATOM 205 HA SER A 13 7.953 -6.155 2.698 1.00 0.00 H +ATOM 206 HB2 SER A 13 5.240 -7.459 2.898 1.00 0.00 H +ATOM 207 HB3 SER A 13 6.742 -8.301 2.479 1.00 0.00 H +ATOM 208 HG SER A 13 5.808 -7.714 4.892 1.00 0.00 H +ATOM 209 N SER A 14 6.176 -4.942 0.434 1.00 0.00 N +ATOM 210 CA SER A 14 5.884 -4.748 -0.996 1.00 0.00 C +ATOM 211 C SER A 14 7.004 -4.076 -1.802 1.00 0.00 C +ATOM 212 O SER A 14 6.860 -3.890 -3.006 1.00 0.00 O +ATOM 213 CB SER A 14 4.636 -3.874 -1.140 1.00 0.00 C +ATOM 214 OG SER A 14 3.598 -4.383 -0.343 1.00 0.00 O +ATOM 215 H SER A 14 5.795 -4.245 1.069 1.00 0.00 H +ATOM 216 HA SER A 14 5.675 -5.716 -1.456 1.00 0.00 H +ATOM 217 HB2 SER A 14 4.865 -2.873 -0.828 1.00 0.00 H +ATOM 218 HB3 SER A 14 4.320 -3.854 -2.182 1.00 0.00 H +ATOM 219 HG SER A 14 3.437 -5.331 -0.578 1.00 0.00 H +ATOM 220 N GLY A 15 8.091 -3.636 -1.156 1.00 0.00 N +ATOM 221 CA GLY A 15 9.222 -2.961 -1.807 1.00 0.00 C +ATOM 222 C GLY A 15 8.979 -1.499 -2.225 1.00 0.00 C +ATOM 223 O GLY A 15 9.937 -0.811 -2.570 1.00 0.00 O +ATOM 224 H GLY A 15 8.136 -3.819 -0.163 1.00 0.00 H +ATOM 225 HA2 GLY A 15 10.080 -2.981 -1.136 1.00 0.00 H +ATOM 226 HA3 GLY A 15 9.494 -3.517 -2.706 1.00 0.00 H +ATOM 227 N ARG A 16 7.733 -1.005 -2.166 1.00 0.00 N +ATOM 228 CA ARG A 16 7.340 0.378 -2.469 1.00 0.00 C +ATOM 229 C ARG A 16 6.864 1.090 -1.189 1.00 0.00 C +ATOM 230 O ARG A 16 6.138 0.469 -0.408 1.00 0.00 O +ATOM 231 CB ARG A 16 6.242 0.351 -3.552 1.00 0.00 C +ATOM 232 CG ARG A 16 5.909 1.749 -4.102 1.00 0.00 C +ATOM 233 CD ARG A 16 4.828 1.696 -5.186 1.00 0.00 C +ATOM 234 NE ARG A 16 4.677 3.011 -5.838 1.00 0.00 N +ATOM 235 CZ ARG A 16 4.080 3.264 -6.997 1.00 0.00 C +ATOM 236 NH1 ARG A 16 3.453 2.326 -7.670 1.00 0.00 N +ATOM 237 NH2 ARG A 16 4.108 4.474 -7.504 1.00 0.00 N +ATOM 238 H ARG A 16 7.011 -1.654 -1.889 1.00 0.00 H +ATOM 239 HA ARG A 16 8.211 0.896 -2.870 1.00 0.00 H +ATOM 240 HB2 ARG A 16 6.577 -0.266 -4.364 1.00 0.00 H +ATOM 241 HB3 ARG A 16 5.337 -0.100 -3.141 1.00 0.00 H +ATOM 242 HG2 ARG A 16 5.561 2.365 -3.295 1.00 0.00 H +ATOM 243 HG3 ARG A 16 6.814 2.176 -4.534 1.00 0.00 H +ATOM 244 HD2 ARG A 16 5.104 0.967 -5.923 1.00 0.00 H +ATOM 245 HD3 ARG A 16 3.881 1.398 -4.732 1.00 0.00 H +ATOM 246 HE ARG A 16 5.099 3.795 -5.368 1.00 0.00 H +ATOM 247 HH11 ARG A 16 3.423 1.404 -7.274 1.00 0.00 H +ATOM 248 HH12 ARG A 16 3.006 2.520 -8.548 1.00 0.00 H +ATOM 249 HH21 ARG A 16 4.586 5.218 -7.026 1.00 0.00 H +ATOM 250 HH22 ARG A 16 3.669 4.656 -8.390 1.00 0.00 H +ATOM 251 N PRO A 17 7.209 2.375 -0.963 1.00 0.00 N +ATOM 252 CA PRO A 17 6.738 3.134 0.201 1.00 0.00 C +ATOM 253 C PRO A 17 5.208 3.346 0.203 1.00 0.00 C +ATOM 254 O PRO A 17 4.576 3.259 -0.855 1.00 0.00 O +ATOM 255 CB PRO A 17 7.490 4.471 0.149 1.00 0.00 C +ATOM 256 CG PRO A 17 7.846 4.634 -1.326 1.00 0.00 C +ATOM 257 CD PRO A 17 8.110 3.196 -1.761 1.00 0.00 C +ATOM 258 HA PRO A 17 7.021 2.596 1.106 1.00 0.00 H +ATOM 259 HB2 PRO A 17 6.862 5.275 0.482 1.00 0.00 H +ATOM 260 HB3 PRO A 17 8.407 4.394 0.736 1.00 0.00 H +ATOM 261 HG2 PRO A 17 7.031 5.063 -1.877 1.00 0.00 H +ATOM 262 HG3 PRO A 17 8.720 5.268 -1.469 1.00 0.00 H +ATOM 263 HD2 PRO A 17 7.900 3.076 -2.806 1.00 0.00 H +ATOM 264 HD3 PRO A 17 9.141 2.925 -1.531 1.00 0.00 H +ATOM 265 N PRO A 18 4.607 3.648 1.372 1.00 0.00 N +ATOM 266 CA PRO A 18 3.168 3.868 1.495 1.00 0.00 C +ATOM 267 C PRO A 18 2.728 5.176 0.813 1.00 0.00 C +ATOM 268 O PRO A 18 3.421 6.189 0.932 1.00 0.00 O +ATOM 269 CB PRO A 18 2.880 3.905 2.999 1.00 0.00 C +ATOM 270 CG PRO A 18 4.202 4.357 3.615 1.00 0.00 C +ATOM 271 CD PRO A 18 5.252 3.767 2.674 1.00 0.00 C +ATOM 272 HA PRO A 18 2.650 3.021 1.056 1.00 0.00 H +ATOM 273 HB2 PRO A 18 2.097 4.604 3.221 1.00 0.00 H +ATOM 274 HB3 PRO A 18 2.640 2.905 3.351 1.00 0.00 H +ATOM 275 HG2 PRO A 18 4.268 5.428 3.640 1.00 0.00 H +ATOM 276 HG3 PRO A 18 4.322 3.987 4.633 1.00 0.00 H +ATOM 277 HD2 PRO A 18 6.103 4.418 2.610 1.00 0.00 H +ATOM 278 HD3 PRO A 18 5.544 2.776 3.024 1.00 0.00 H +ATOM 279 N PRO A 19 1.566 5.189 0.135 1.00 0.00 N +ATOM 280 CA PRO A 19 0.986 6.406 -0.419 1.00 0.00 C +ATOM 281 C PRO A 19 0.340 7.243 0.694 1.00 0.00 C +ATOM 282 O PRO A 19 -0.310 6.698 1.588 1.00 0.00 O +ATOM 283 CB PRO A 19 -0.045 5.908 -1.435 1.00 0.00 C +ATOM 284 CG PRO A 19 -0.542 4.596 -0.823 1.00 0.00 C +ATOM 285 CD PRO A 19 0.688 4.050 -0.100 1.00 0.00 C +ATOM 286 HA PRO A 19 1.751 6.996 -0.927 1.00 0.00 H +ATOM 287 HB2 PRO A 19 -0.849 6.611 -1.542 1.00 0.00 H +ATOM 288 HB3 PRO A 19 0.455 5.698 -2.382 1.00 0.00 H +ATOM 289 HG2 PRO A 19 -1.344 4.774 -0.133 1.00 0.00 H +ATOM 290 HG3 PRO A 19 -0.898 3.904 -1.584 1.00 0.00 H +ATOM 291 HD2 PRO A 19 0.402 3.603 0.833 1.00 0.00 H +ATOM 292 HD3 PRO A 19 1.199 3.327 -0.734 1.00 0.00 H +ATOM 293 N SER A 20 0.480 8.571 0.624 1.00 0.00 N +ATOM 294 CA SER A 20 -0.125 9.511 1.572 1.00 0.00 C +ATOM 295 C SER A 20 -0.770 10.671 0.820 1.00 0.00 C +ATOM 296 O SER A 20 -2.016 10.756 0.905 1.00 0.00 O +ATOM 297 CB SER A 20 0.919 9.961 2.597 1.00 0.00 C +ATOM 298 OG SER A 20 0.248 10.488 3.720 1.00 0.00 O +ATOM 299 OXT SER A 20 -0.011 11.405 0.152 1.00 0.00 O +ATOM 300 H SER A 20 1.013 8.983 -0.129 1.00 0.00 H +ATOM 301 HA SER A 20 -0.928 9.009 2.110 1.00 0.00 H +ATOM 302 HB2 SER A 20 1.519 9.122 2.895 1.00 0.00 H +ATOM 303 HB3 SER A 20 1.582 10.712 2.159 1.00 0.00 H +ATOM 304 HG SER A 20 -0.420 11.104 3.405 1.00 0.00 H +TER 305 SER A 20 +ENDMDL +MODEL 29 +ATOM 1 N ASN A 1 -8.605 5.735 -1.508 1.00 0.00 N +ATOM 2 CA ASN A 1 -7.571 6.051 -0.495 1.00 0.00 C +ATOM 3 C ASN A 1 -6.164 5.538 -0.832 1.00 0.00 C +ATOM 4 O ASN A 1 -5.240 5.940 -0.139 1.00 0.00 O +ATOM 5 CB ASN A 1 -8.006 5.614 0.920 1.00 0.00 C +ATOM 6 CG ASN A 1 -8.446 6.833 1.721 1.00 0.00 C +ATOM 7 OD1 ASN A 1 -7.636 7.667 2.079 1.00 0.00 O +ATOM 8 ND2 ASN A 1 -9.727 7.012 1.978 1.00 0.00 N +ATOM 9 H1 ASN A 1 -8.317 6.060 -2.422 1.00 0.00 H +ATOM 10 H2 ASN A 1 -8.771 4.738 -1.536 1.00 0.00 H +ATOM 11 H3 ASN A 1 -9.471 6.197 -1.263 1.00 0.00 H +ATOM 12 HA ASN A 1 -7.456 7.138 -0.461 1.00 0.00 H +ATOM 13 HB2 ASN A 1 -8.823 4.923 0.844 1.00 0.00 H +ATOM 14 HB3 ASN A 1 -7.168 5.160 1.453 1.00 0.00 H +ATOM 15 HD21 ASN A 1 -10.461 6.361 1.754 1.00 0.00 H +ATOM 16 HD22 ASN A 1 -9.905 7.847 2.515 1.00 0.00 H +ATOM 17 N LEU A 2 -5.966 4.679 -1.852 1.00 0.00 N +ATOM 18 CA LEU A 2 -4.666 4.117 -2.283 1.00 0.00 C +ATOM 19 C LEU A 2 -4.002 3.168 -1.262 1.00 0.00 C +ATOM 20 O LEU A 2 -3.524 2.099 -1.642 1.00 0.00 O +ATOM 21 CB LEU A 2 -3.717 5.253 -2.748 1.00 0.00 C +ATOM 22 CG LEU A 2 -3.317 5.246 -4.235 1.00 0.00 C +ATOM 23 CD1 LEU A 2 -2.553 3.980 -4.653 1.00 0.00 C +ATOM 24 CD2 LEU A 2 -4.536 5.478 -5.132 1.00 0.00 C +ATOM 25 H LEU A 2 -6.737 4.358 -2.414 1.00 0.00 H +ATOM 26 HA LEU A 2 -4.871 3.489 -3.150 1.00 0.00 H +ATOM 27 HB2 LEU A 2 -4.203 6.188 -2.545 1.00 0.00 H +ATOM 28 HB3 LEU A 2 -2.806 5.212 -2.162 1.00 0.00 H +ATOM 29 HG LEU A 2 -2.646 6.094 -4.387 1.00 0.00 H +ATOM 30 HD11 LEU A 2 -1.523 4.249 -4.893 1.00 0.00 H +ATOM 31 HD12 LEU A 2 -2.534 3.243 -3.853 1.00 0.00 H +ATOM 32 HD13 LEU A 2 -3.005 3.530 -5.537 1.00 0.00 H +ATOM 33 HD21 LEU A 2 -5.218 4.631 -5.088 1.00 0.00 H +ATOM 34 HD22 LEU A 2 -5.054 6.385 -4.819 1.00 0.00 H +ATOM 35 HD23 LEU A 2 -4.203 5.612 -6.162 1.00 0.00 H +ATOM 36 N TYR A 3 -4.025 3.502 0.030 1.00 0.00 N +ATOM 37 CA TYR A 3 -3.458 2.724 1.133 1.00 0.00 C +ATOM 38 C TYR A 3 -3.964 1.270 1.170 1.00 0.00 C +ATOM 39 O TYR A 3 -3.186 0.358 1.441 1.00 0.00 O +ATOM 40 CB TYR A 3 -3.738 3.456 2.457 1.00 0.00 C +ATOM 41 CG TYR A 3 -2.570 3.419 3.420 1.00 0.00 C +ATOM 42 CD1 TYR A 3 -2.245 2.219 4.078 1.00 0.00 C +ATOM 43 CD2 TYR A 3 -1.797 4.577 3.646 1.00 0.00 C +ATOM 44 CE1 TYR A 3 -1.149 2.170 4.960 1.00 0.00 C +ATOM 45 CE2 TYR A 3 -0.713 4.539 4.544 1.00 0.00 C +ATOM 46 CZ TYR A 3 -0.388 3.333 5.204 1.00 0.00 C +ATOM 47 OH TYR A 3 0.627 3.280 6.107 1.00 0.00 O +ATOM 48 H TYR A 3 -4.367 4.438 0.237 1.00 0.00 H +ATOM 49 HA TYR A 3 -2.377 2.691 0.989 1.00 0.00 H +ATOM 50 HB2 TYR A 3 -3.966 4.481 2.238 1.00 0.00 H +ATOM 51 HB3 TYR A 3 -4.614 3.021 2.941 1.00 0.00 H +ATOM 52 HD1 TYR A 3 -2.836 1.333 3.908 1.00 0.00 H +ATOM 53 HD2 TYR A 3 -2.032 5.503 3.135 1.00 0.00 H +ATOM 54 HE1 TYR A 3 -0.891 1.259 5.474 1.00 0.00 H +ATOM 55 HE2 TYR A 3 -0.128 5.433 4.713 1.00 0.00 H +ATOM 56 HH TYR A 3 0.617 4.042 6.689 1.00 0.00 H +ATOM 57 N ILE A 4 -5.244 1.037 0.838 1.00 0.00 N +ATOM 58 CA ILE A 4 -5.834 -0.306 0.713 1.00 0.00 C +ATOM 59 C ILE A 4 -5.105 -1.123 -0.367 1.00 0.00 C +ATOM 60 O ILE A 4 -4.724 -2.268 -0.130 1.00 0.00 O +ATOM 61 CB ILE A 4 -7.352 -0.235 0.407 1.00 0.00 C +ATOM 62 CG1 ILE A 4 -8.137 0.689 1.373 1.00 0.00 C +ATOM 63 CG2 ILE A 4 -7.972 -1.643 0.457 1.00 0.00 C +ATOM 64 CD1 ILE A 4 -8.547 2.007 0.707 1.00 0.00 C +ATOM 65 H ILE A 4 -5.819 1.844 0.651 1.00 0.00 H +ATOM 66 HA ILE A 4 -5.700 -0.825 1.663 1.00 0.00 H +ATOM 67 HB ILE A 4 -7.482 0.137 -0.611 1.00 0.00 H +ATOM 68 HG12 ILE A 4 -9.022 0.177 1.699 1.00 0.00 H +ATOM 69 HG13 ILE A 4 -7.548 0.901 2.265 1.00 0.00 H +ATOM 70 HG21 ILE A 4 -7.504 -2.298 -0.279 1.00 0.00 H +ATOM 71 HG22 ILE A 4 -7.845 -2.074 1.451 1.00 0.00 H +ATOM 72 HG23 ILE A 4 -9.037 -1.590 0.226 1.00 0.00 H +ATOM 73 HD11 ILE A 4 -7.664 2.587 0.439 1.00 0.00 H +ATOM 74 HD12 ILE A 4 -9.134 1.802 -0.191 1.00 0.00 H +ATOM 75 HD13 ILE A 4 -9.164 2.579 1.400 1.00 0.00 H +ATOM 76 N GLN A 5 -4.897 -0.530 -1.550 1.00 0.00 N +ATOM 77 CA GLN A 5 -4.198 -1.155 -2.673 1.00 0.00 C +ATOM 78 C GLN A 5 -2.723 -1.419 -2.333 1.00 0.00 C +ATOM 79 O GLN A 5 -2.200 -2.473 -2.684 1.00 0.00 O +ATOM 80 CB GLN A 5 -4.336 -0.262 -3.917 1.00 0.00 C +ATOM 81 CG GLN A 5 -3.914 -0.964 -5.221 1.00 0.00 C +ATOM 82 CD GLN A 5 -5.086 -1.137 -6.184 1.00 0.00 C +ATOM 83 OE1 GLN A 5 -5.679 -0.180 -6.653 1.00 0.00 O +ATOM 84 NE2 GLN A 5 -5.471 -2.356 -6.511 1.00 0.00 N +ATOM 85 H GLN A 5 -5.132 0.448 -1.635 1.00 0.00 H +ATOM 86 HA GLN A 5 -4.672 -2.115 -2.879 1.00 0.00 H +ATOM 87 HB2 GLN A 5 -5.362 0.038 -4.009 1.00 0.00 H +ATOM 88 HB3 GLN A 5 -3.724 0.632 -3.790 1.00 0.00 H +ATOM 89 HG2 GLN A 5 -3.155 -0.376 -5.701 1.00 0.00 H +ATOM 90 HG3 GLN A 5 -3.469 -1.937 -5.010 1.00 0.00 H +ATOM 91 HE21 GLN A 5 -4.984 -3.177 -6.199 1.00 0.00 H +ATOM 92 HE22 GLN A 5 -6.221 -2.372 -7.181 1.00 0.00 H +ATOM 93 N TRP A 6 -2.071 -0.497 -1.615 1.00 0.00 N +ATOM 94 CA TRP A 6 -0.715 -0.699 -1.098 1.00 0.00 C +ATOM 95 C TRP A 6 -0.639 -1.865 -0.097 1.00 0.00 C +ATOM 96 O TRP A 6 0.196 -2.757 -0.250 1.00 0.00 O +ATOM 97 CB TRP A 6 -0.203 0.608 -0.484 1.00 0.00 C +ATOM 98 CG TRP A 6 1.201 0.530 0.024 1.00 0.00 C +ATOM 99 CD1 TRP A 6 2.311 0.523 -0.750 1.00 0.00 C +ATOM 100 CD2 TRP A 6 1.672 0.404 1.403 1.00 0.00 C +ATOM 101 NE1 TRP A 6 3.428 0.392 0.050 1.00 0.00 N +ATOM 102 CE2 TRP A 6 3.094 0.319 1.381 1.00 0.00 C +ATOM 103 CE3 TRP A 6 1.048 0.358 2.668 1.00 0.00 C +ATOM 104 CZ2 TRP A 6 3.864 0.210 2.546 1.00 0.00 C +ATOM 105 CZ3 TRP A 6 1.810 0.242 3.848 1.00 0.00 C +ATOM 106 CH2 TRP A 6 3.214 0.174 3.791 1.00 0.00 C +ATOM 107 H TRP A 6 -2.559 0.372 -1.412 1.00 0.00 H +ATOM 108 HA TRP A 6 -0.064 -0.958 -1.933 1.00 0.00 H +ATOM 109 HB2 TRP A 6 -0.249 1.374 -1.234 1.00 0.00 H +ATOM 110 HB3 TRP A 6 -0.852 0.901 0.340 1.00 0.00 H +ATOM 111 HD1 TRP A 6 2.315 0.589 -1.829 1.00 0.00 H +ATOM 112 HE1 TRP A 6 4.395 0.361 -0.282 1.00 0.00 H +ATOM 113 HE3 TRP A 6 -0.028 0.427 2.725 1.00 0.00 H +ATOM 114 HZ2 TRP A 6 4.940 0.156 2.473 1.00 0.00 H +ATOM 115 HZ3 TRP A 6 1.316 0.221 4.810 1.00 0.00 H +ATOM 116 HH2 TRP A 6 3.792 0.099 4.701 1.00 0.00 H +ATOM 117 N LEU A 7 -1.536 -1.900 0.899 1.00 0.00 N +ATOM 118 CA LEU A 7 -1.617 -3.007 1.855 1.00 0.00 C +ATOM 119 C LEU A 7 -1.901 -4.357 1.181 1.00 0.00 C +ATOM 120 O LEU A 7 -1.360 -5.362 1.635 1.00 0.00 O +ATOM 121 CB LEU A 7 -2.675 -2.710 2.932 1.00 0.00 C +ATOM 122 CG LEU A 7 -2.221 -1.687 3.991 1.00 0.00 C +ATOM 123 CD1 LEU A 7 -3.385 -1.386 4.937 1.00 0.00 C +ATOM 124 CD2 LEU A 7 -1.031 -2.194 4.815 1.00 0.00 C +ATOM 125 H LEU A 7 -2.191 -1.126 0.991 1.00 0.00 H +ATOM 126 HA LEU A 7 -0.645 -3.114 2.334 1.00 0.00 H +ATOM 127 HB2 LEU A 7 -3.552 -2.327 2.447 1.00 0.00 H +ATOM 128 HB3 LEU A 7 -2.922 -3.640 3.447 1.00 0.00 H +ATOM 129 HG LEU A 7 -1.930 -0.760 3.500 1.00 0.00 H +ATOM 130 HD11 LEU A 7 -4.245 -1.036 4.365 1.00 0.00 H +ATOM 131 HD12 LEU A 7 -3.661 -2.286 5.488 1.00 0.00 H +ATOM 132 HD13 LEU A 7 -3.096 -0.608 5.644 1.00 0.00 H +ATOM 133 HD21 LEU A 7 -1.172 -3.243 5.075 1.00 0.00 H +ATOM 134 HD22 LEU A 7 -0.114 -2.086 4.240 1.00 0.00 H +ATOM 135 HD23 LEU A 7 -0.929 -1.613 5.731 1.00 0.00 H +ATOM 136 N LYS A 8 -2.692 -4.379 0.094 1.00 0.00 N +ATOM 137 CA LYS A 8 -3.020 -5.583 -0.687 1.00 0.00 C +ATOM 138 C LYS A 8 -1.785 -6.364 -1.155 1.00 0.00 C +ATOM 139 O LYS A 8 -1.838 -7.588 -1.203 1.00 0.00 O +ATOM 140 CB LYS A 8 -3.879 -5.189 -1.903 1.00 0.00 C +ATOM 141 CG LYS A 8 -4.659 -6.371 -2.495 1.00 0.00 C +ATOM 142 CD LYS A 8 -5.247 -6.001 -3.867 1.00 0.00 C +ATOM 143 CE LYS A 8 -6.373 -6.957 -4.272 1.00 0.00 C +ATOM 144 NZ LYS A 8 -7.632 -6.645 -3.554 1.00 0.00 N +ATOM 145 H LYS A 8 -3.148 -3.504 -0.155 1.00 0.00 H +ATOM 146 HA LYS A 8 -3.595 -6.254 -0.047 1.00 0.00 H +ATOM 147 HB2 LYS A 8 -4.579 -4.436 -1.597 1.00 0.00 H +ATOM 148 HB3 LYS A 8 -3.229 -4.772 -2.673 1.00 0.00 H +ATOM 149 HG2 LYS A 8 -3.997 -7.208 -2.609 1.00 0.00 H +ATOM 150 HG3 LYS A 8 -5.454 -6.641 -1.801 1.00 0.00 H +ATOM 151 HD2 LYS A 8 -5.637 -5.002 -3.821 1.00 0.00 H +ATOM 152 HD3 LYS A 8 -4.447 -6.061 -4.607 1.00 0.00 H +ATOM 153 HE2 LYS A 8 -6.542 -6.870 -5.328 1.00 0.00 H +ATOM 154 HE3 LYS A 8 -6.057 -7.983 -4.060 1.00 0.00 H +ATOM 155 HZ1 LYS A 8 -7.483 -6.699 -2.554 1.00 0.00 H +ATOM 156 HZ2 LYS A 8 -7.939 -5.708 -3.782 1.00 0.00 H +ATOM 157 HZ3 LYS A 8 -8.360 -7.298 -3.811 1.00 0.00 H +ATOM 158 N ASP A 9 -0.706 -5.663 -1.517 1.00 0.00 N +ATOM 159 CA ASP A 9 0.544 -6.266 -1.987 1.00 0.00 C +ATOM 160 C ASP A 9 1.293 -6.977 -0.843 1.00 0.00 C +ATOM 161 O ASP A 9 1.650 -8.148 -0.961 1.00 0.00 O +ATOM 162 CB ASP A 9 1.392 -5.171 -2.653 1.00 0.00 C +ATOM 163 CG ASP A 9 2.434 -5.757 -3.608 1.00 0.00 C +ATOM 164 OD1 ASP A 9 3.525 -6.132 -3.128 1.00 0.00 O +ATOM 165 OD2 ASP A 9 2.117 -5.814 -4.817 1.00 0.00 O +ATOM 166 H ASP A 9 -0.755 -4.653 -1.452 1.00 0.00 H +ATOM 167 HA ASP A 9 0.304 -7.017 -2.743 1.00 0.00 H +ATOM 168 HB2 ASP A 9 0.744 -4.518 -3.205 1.00 0.00 H +ATOM 169 HB3 ASP A 9 1.878 -4.560 -1.892 1.00 0.00 H +ATOM 170 N GLY A 10 1.469 -6.281 0.289 1.00 0.00 N +ATOM 171 CA GLY A 10 2.142 -6.803 1.484 1.00 0.00 C +ATOM 172 C GLY A 10 2.644 -5.740 2.469 1.00 0.00 C +ATOM 173 O GLY A 10 3.613 -5.985 3.194 1.00 0.00 O +ATOM 174 H GLY A 10 1.155 -5.323 0.250 1.00 0.00 H +ATOM 175 HA2 GLY A 10 1.445 -7.452 2.016 1.00 0.00 H +ATOM 176 HA3 GLY A 10 2.995 -7.408 1.175 1.00 0.00 H +ATOM 177 N GLY A 11 2.028 -4.548 2.496 1.00 0.00 N +ATOM 178 CA GLY A 11 2.465 -3.422 3.328 1.00 0.00 C +ATOM 179 C GLY A 11 3.961 -3.104 3.147 1.00 0.00 C +ATOM 180 O GLY A 11 4.428 -3.060 2.005 1.00 0.00 O +ATOM 181 H GLY A 11 1.229 -4.418 1.894 1.00 0.00 H +ATOM 182 HA2 GLY A 11 1.897 -2.535 3.047 1.00 0.00 H +ATOM 183 HA3 GLY A 11 2.242 -3.663 4.366 1.00 0.00 H +ATOM 184 N PRO A 12 4.744 -2.895 4.229 1.00 0.00 N +ATOM 185 CA PRO A 12 6.184 -2.626 4.136 1.00 0.00 C +ATOM 186 C PRO A 12 6.990 -3.695 3.379 1.00 0.00 C +ATOM 187 O PRO A 12 8.035 -3.383 2.813 1.00 0.00 O +ATOM 188 CB PRO A 12 6.687 -2.517 5.581 1.00 0.00 C +ATOM 189 CG PRO A 12 5.435 -2.200 6.394 1.00 0.00 C +ATOM 190 CD PRO A 12 4.325 -2.910 5.621 1.00 0.00 C +ATOM 191 HA PRO A 12 6.325 -1.668 3.636 1.00 0.00 H +ATOM 192 HB2 PRO A 12 7.124 -3.443 5.902 1.00 0.00 H +ATOM 193 HB3 PRO A 12 7.439 -1.733 5.682 1.00 0.00 H +ATOM 194 HG2 PRO A 12 5.516 -2.586 7.392 1.00 0.00 H +ATOM 195 HG3 PRO A 12 5.256 -1.124 6.386 1.00 0.00 H +ATOM 196 HD2 PRO A 12 4.214 -3.919 5.968 1.00 0.00 H +ATOM 197 HD3 PRO A 12 3.379 -2.387 5.767 1.00 0.00 H +ATOM 198 N SER A 13 6.507 -4.946 3.334 1.00 0.00 N +ATOM 199 CA SER A 13 7.187 -6.064 2.673 1.00 0.00 C +ATOM 200 C SER A 13 7.029 -6.063 1.139 1.00 0.00 C +ATOM 201 O SER A 13 7.451 -7.024 0.494 1.00 0.00 O +ATOM 202 CB SER A 13 6.706 -7.387 3.280 1.00 0.00 C +ATOM 203 OG SER A 13 7.516 -8.439 2.801 1.00 0.00 O +ATOM 204 H SER A 13 5.587 -5.127 3.723 1.00 0.00 H +ATOM 205 HA SER A 13 8.254 -5.982 2.881 1.00 0.00 H +ATOM 206 HB2 SER A 13 6.777 -7.338 4.350 1.00 0.00 H +ATOM 207 HB3 SER A 13 5.667 -7.570 3.006 1.00 0.00 H +ATOM 208 HG SER A 13 7.599 -8.303 1.840 1.00 0.00 H +ATOM 209 N SER A 14 6.431 -5.007 0.568 1.00 0.00 N +ATOM 210 CA SER A 14 6.122 -4.843 -0.863 1.00 0.00 C +ATOM 211 C SER A 14 7.243 -4.167 -1.670 1.00 0.00 C +ATOM 212 O SER A 14 7.126 -4.014 -2.885 1.00 0.00 O +ATOM 213 CB SER A 14 4.869 -3.968 -1.035 1.00 0.00 C +ATOM 214 OG SER A 14 3.852 -4.282 -0.111 1.00 0.00 O +ATOM 215 H SER A 14 6.092 -4.293 1.198 1.00 0.00 H +ATOM 216 HA SER A 14 5.916 -5.820 -1.304 1.00 0.00 H +ATOM 217 HB2 SER A 14 5.148 -2.940 -0.902 1.00 0.00 H +ATOM 218 HB3 SER A 14 4.489 -4.086 -2.049 1.00 0.00 H +ATOM 219 HG SER A 14 4.047 -3.794 0.729 1.00 0.00 H +ATOM 220 N GLY A 15 8.295 -3.658 -1.015 1.00 0.00 N +ATOM 221 CA GLY A 15 9.401 -2.924 -1.649 1.00 0.00 C +ATOM 222 C GLY A 15 9.095 -1.469 -2.050 1.00 0.00 C +ATOM 223 O GLY A 15 10.027 -0.688 -2.223 1.00 0.00 O +ATOM 224 H GLY A 15 8.323 -3.798 -0.013 1.00 0.00 H +ATOM 225 HA2 GLY A 15 10.254 -2.914 -0.971 1.00 0.00 H +ATOM 226 HA3 GLY A 15 9.705 -3.456 -2.552 1.00 0.00 H +ATOM 227 N ARG A 16 7.815 -1.082 -2.167 1.00 0.00 N +ATOM 228 CA ARG A 16 7.364 0.285 -2.472 1.00 0.00 C +ATOM 229 C ARG A 16 6.898 1.010 -1.194 1.00 0.00 C +ATOM 230 O ARG A 16 6.164 0.402 -0.414 1.00 0.00 O +ATOM 231 CB ARG A 16 6.227 0.209 -3.508 1.00 0.00 C +ATOM 232 CG ARG A 16 5.864 1.592 -4.069 1.00 0.00 C +ATOM 233 CD ARG A 16 4.667 1.536 -5.024 1.00 0.00 C +ATOM 234 NE ARG A 16 4.606 2.733 -5.883 1.00 0.00 N +ATOM 235 CZ ARG A 16 4.305 3.981 -5.540 1.00 0.00 C +ATOM 236 NH1 ARG A 16 3.982 4.326 -4.313 1.00 0.00 N +ATOM 237 NH2 ARG A 16 4.338 4.924 -6.455 1.00 0.00 N +ATOM 238 H ARG A 16 7.121 -1.806 -2.050 1.00 0.00 H +ATOM 239 HA ARG A 16 8.203 0.825 -2.912 1.00 0.00 H +ATOM 240 HB2 ARG A 16 6.538 -0.422 -4.318 1.00 0.00 H +ATOM 241 HB3 ARG A 16 5.345 -0.244 -3.049 1.00 0.00 H +ATOM 242 HG2 ARG A 16 5.623 2.244 -3.251 1.00 0.00 H +ATOM 243 HG3 ARG A 16 6.729 1.984 -4.604 1.00 0.00 H +ATOM 244 HD2 ARG A 16 4.756 0.665 -5.645 1.00 0.00 H +ATOM 245 HD3 ARG A 16 3.744 1.430 -4.452 1.00 0.00 H +ATOM 246 HE ARG A 16 4.837 2.583 -6.851 1.00 0.00 H +ATOM 247 HH11 ARG A 16 3.989 3.631 -3.582 1.00 0.00 H +ATOM 248 HH12 ARG A 16 3.762 5.278 -4.085 1.00 0.00 H +ATOM 249 HH21 ARG A 16 4.596 4.707 -7.402 1.00 0.00 H +ATOM 250 HH22 ARG A 16 4.116 5.872 -6.209 1.00 0.00 H +ATOM 251 N PRO A 17 7.232 2.303 -0.989 1.00 0.00 N +ATOM 252 CA PRO A 17 6.749 3.076 0.161 1.00 0.00 C +ATOM 253 C PRO A 17 5.224 3.306 0.130 1.00 0.00 C +ATOM 254 O PRO A 17 4.612 3.230 -0.945 1.00 0.00 O +ATOM 255 CB PRO A 17 7.515 4.405 0.107 1.00 0.00 C +ATOM 256 CG PRO A 17 7.835 4.571 -1.375 1.00 0.00 C +ATOM 257 CD PRO A 17 8.095 3.134 -1.819 1.00 0.00 C +ATOM 258 HA PRO A 17 7.009 2.547 1.078 1.00 0.00 H +ATOM 259 HB2 PRO A 17 6.905 5.214 0.461 1.00 0.00 H +ATOM 260 HB3 PRO A 17 8.445 4.313 0.672 1.00 0.00 H +ATOM 261 HG2 PRO A 17 7.005 4.997 -1.906 1.00 0.00 H +ATOM 262 HG3 PRO A 17 8.703 5.210 -1.537 1.00 0.00 H +ATOM 263 HD2 PRO A 17 7.847 3.012 -2.856 1.00 0.00 H +ATOM 264 HD3 PRO A 17 9.137 2.873 -1.630 1.00 0.00 H +ATOM 265 N PRO A 18 4.607 3.621 1.290 1.00 0.00 N +ATOM 266 CA PRO A 18 3.173 3.861 1.391 1.00 0.00 C +ATOM 267 C PRO A 18 2.768 5.155 0.668 1.00 0.00 C +ATOM 268 O PRO A 18 3.536 6.122 0.654 1.00 0.00 O +ATOM 269 CB PRO A 18 2.862 3.940 2.889 1.00 0.00 C +ATOM 270 CG PRO A 18 4.175 4.424 3.496 1.00 0.00 C +ATOM 271 CD PRO A 18 5.230 3.775 2.601 1.00 0.00 C +ATOM 272 HA PRO A 18 2.647 3.013 0.960 1.00 0.00 H +ATOM 273 HB2 PRO A 18 2.070 4.638 3.081 1.00 0.00 H +ATOM 274 HB3 PRO A 18 2.631 2.946 3.269 1.00 0.00 H +ATOM 275 HG2 PRO A 18 4.245 5.494 3.460 1.00 0.00 H +ATOM 276 HG3 PRO A 18 4.280 4.116 4.536 1.00 0.00 H +ATOM 277 HD2 PRO A 18 6.097 4.404 2.530 1.00 0.00 H +ATOM 278 HD3 PRO A 18 5.490 2.793 2.996 1.00 0.00 H +ATOM 279 N PRO A 19 1.558 5.206 0.088 1.00 0.00 N +ATOM 280 CA PRO A 19 1.036 6.414 -0.536 1.00 0.00 C +ATOM 281 C PRO A 19 0.580 7.431 0.525 1.00 0.00 C +ATOM 282 O PRO A 19 0.139 7.063 1.615 1.00 0.00 O +ATOM 283 CB PRO A 19 -0.114 5.918 -1.419 1.00 0.00 C +ATOM 284 CG PRO A 19 -0.641 4.693 -0.668 1.00 0.00 C +ATOM 285 CD PRO A 19 0.599 4.117 0.004 1.00 0.00 C +ATOM 286 HA PRO A 19 1.800 6.874 -1.164 1.00 0.00 H +ATOM 287 HB2 PRO A 19 -0.876 6.667 -1.512 1.00 0.00 H +ATOM 288 HB3 PRO A 19 0.288 5.602 -2.384 1.00 0.00 H +ATOM 289 HG2 PRO A 19 -1.374 4.978 0.062 1.00 0.00 H +ATOM 290 HG3 PRO A 19 -1.084 3.963 -1.347 1.00 0.00 H +ATOM 291 HD2 PRO A 19 0.357 3.758 0.986 1.00 0.00 H +ATOM 292 HD3 PRO A 19 1.015 3.321 -0.613 1.00 0.00 H +ATOM 293 N SER A 20 0.671 8.718 0.173 1.00 0.00 N +ATOM 294 CA SER A 20 0.166 9.881 0.915 1.00 0.00 C +ATOM 295 C SER A 20 -0.789 10.667 0.023 1.00 0.00 C +ATOM 296 O SER A 20 -1.886 10.995 0.519 1.00 0.00 O +ATOM 297 CB SER A 20 1.319 10.782 1.355 1.00 0.00 C +ATOM 298 OG SER A 20 2.016 10.129 2.391 1.00 0.00 O +ATOM 299 OXT SER A 20 -0.396 10.900 -1.142 1.00 0.00 O +ATOM 300 H SER A 20 0.997 8.943 -0.756 1.00 0.00 H +ATOM 301 HA SER A 20 -0.403 9.569 1.792 1.00 0.00 H +ATOM 302 HB2 SER A 20 1.979 10.958 0.527 1.00 0.00 H +ATOM 303 HB3 SER A 20 0.933 11.738 1.713 1.00 0.00 H +ATOM 304 HG SER A 20 1.901 9.185 2.245 1.00 0.00 H +TER 305 SER A 20 +ENDMDL +MODEL 30 +ATOM 1 N ASN A 1 -6.460 7.364 0.613 1.00 0.00 N +ATOM 2 CA ASN A 1 -7.483 6.556 -0.103 1.00 0.00 C +ATOM 3 C ASN A 1 -6.889 5.287 -0.732 1.00 0.00 C +ATOM 4 O ASN A 1 -7.475 4.227 -0.571 1.00 0.00 O +ATOM 5 CB ASN A 1 -8.236 7.406 -1.144 1.00 0.00 C +ATOM 6 CG ASN A 1 -7.303 7.780 -2.289 1.00 0.00 C +ATOM 7 OD1 ASN A 1 -6.233 8.314 -2.043 1.00 0.00 O +ATOM 8 ND2 ASN A 1 -7.597 7.393 -3.514 1.00 0.00 N +ATOM 9 H1 ASN A 1 -5.878 6.774 1.192 1.00 0.00 H +ATOM 10 H2 ASN A 1 -5.887 7.854 -0.067 1.00 0.00 H +ATOM 11 H3 ASN A 1 -6.912 8.053 1.197 1.00 0.00 H +ATOM 12 HA ASN A 1 -8.216 6.208 0.628 1.00 0.00 H +ATOM 13 HB2 ASN A 1 -9.064 6.843 -1.530 1.00 0.00 H +ATOM 14 HB3 ASN A 1 -8.607 8.320 -0.677 1.00 0.00 H +ATOM 15 HD21 ASN A 1 -8.429 6.875 -3.745 1.00 0.00 H +ATOM 16 HD22 ASN A 1 -6.919 7.643 -4.219 1.00 0.00 H +ATOM 17 N LEU A 2 -5.741 5.358 -1.420 1.00 0.00 N +ATOM 18 CA LEU A 2 -5.100 4.220 -2.108 1.00 0.00 C +ATOM 19 C LEU A 2 -4.341 3.246 -1.180 1.00 0.00 C +ATOM 20 O LEU A 2 -3.776 2.254 -1.644 1.00 0.00 O +ATOM 21 CB LEU A 2 -4.211 4.795 -3.233 1.00 0.00 C +ATOM 22 CG LEU A 2 -5.026 4.979 -4.531 1.00 0.00 C +ATOM 23 CD1 LEU A 2 -4.502 6.140 -5.376 1.00 0.00 C +ATOM 24 CD2 LEU A 2 -5.004 3.695 -5.367 1.00 0.00 C +ATOM 25 H LEU A 2 -5.329 6.267 -1.601 1.00 0.00 H +ATOM 26 HA LEU A 2 -5.882 3.615 -2.569 1.00 0.00 H +ATOM 27 HB2 LEU A 2 -3.822 5.746 -2.923 1.00 0.00 H +ATOM 28 HB3 LEU A 2 -3.367 4.131 -3.434 1.00 0.00 H +ATOM 29 HG LEU A 2 -6.062 5.205 -4.277 1.00 0.00 H +ATOM 30 HD11 LEU A 2 -4.492 7.057 -4.785 1.00 0.00 H +ATOM 31 HD12 LEU A 2 -3.492 5.927 -5.725 1.00 0.00 H +ATOM 32 HD13 LEU A 2 -5.154 6.287 -6.238 1.00 0.00 H +ATOM 33 HD21 LEU A 2 -3.983 3.466 -5.675 1.00 0.00 H +ATOM 34 HD22 LEU A 2 -5.397 2.860 -4.791 1.00 0.00 H +ATOM 35 HD23 LEU A 2 -5.619 3.822 -6.259 1.00 0.00 H +ATOM 36 N TYR A 3 -4.369 3.488 0.136 1.00 0.00 N +ATOM 37 CA TYR A 3 -3.657 2.701 1.145 1.00 0.00 C +ATOM 38 C TYR A 3 -4.098 1.228 1.178 1.00 0.00 C +ATOM 39 O TYR A 3 -3.268 0.347 1.389 1.00 0.00 O +ATOM 40 CB TYR A 3 -3.837 3.357 2.523 1.00 0.00 C +ATOM 41 CG TYR A 3 -2.642 3.161 3.434 1.00 0.00 C +ATOM 42 CD1 TYR A 3 -2.458 1.945 4.120 1.00 0.00 C +ATOM 43 CD2 TYR A 3 -1.695 4.196 3.573 1.00 0.00 C +ATOM 44 CE1 TYR A 3 -1.331 1.761 4.945 1.00 0.00 C +ATOM 45 CE2 TYR A 3 -0.570 4.016 4.396 1.00 0.00 C +ATOM 46 CZ TYR A 3 -0.383 2.798 5.082 1.00 0.00 C +ATOM 47 OH TYR A 3 0.699 2.647 5.890 1.00 0.00 O +ATOM 48 H TYR A 3 -4.905 4.281 0.443 1.00 0.00 H +ATOM 49 HA TYR A 3 -2.597 2.723 0.895 1.00 0.00 H +ATOM 50 HB2 TYR A 3 -3.991 4.410 2.383 1.00 0.00 H +ATOM 51 HB3 TYR A 3 -4.732 2.959 3.008 1.00 0.00 H +ATOM 52 HD1 TYR A 3 -3.179 1.149 4.003 1.00 0.00 H +ATOM 53 HD2 TYR A 3 -1.824 5.137 3.055 1.00 0.00 H +ATOM 54 HE1 TYR A 3 -1.180 0.826 5.463 1.00 0.00 H +ATOM 55 HE2 TYR A 3 0.151 4.808 4.521 1.00 0.00 H +ATOM 56 HH TYR A 3 0.441 2.460 6.795 1.00 0.00 H +ATOM 57 N ILE A 4 -5.388 0.955 0.919 1.00 0.00 N +ATOM 58 CA ILE A 4 -5.920 -0.410 0.824 1.00 0.00 C +ATOM 59 C ILE A 4 -5.170 -1.190 -0.266 1.00 0.00 C +ATOM 60 O ILE A 4 -4.654 -2.276 -0.009 1.00 0.00 O +ATOM 61 CB ILE A 4 -7.449 -0.413 0.570 1.00 0.00 C +ATOM 62 CG1 ILE A 4 -8.252 0.393 1.623 1.00 0.00 C +ATOM 63 CG2 ILE A 4 -7.973 -1.860 0.555 1.00 0.00 C +ATOM 64 CD1 ILE A 4 -8.642 1.792 1.136 1.00 0.00 C +ATOM 65 H ILE A 4 -6.009 1.734 0.758 1.00 0.00 H +ATOM 66 HA ILE A 4 -5.730 -0.915 1.773 1.00 0.00 H +ATOM 67 HB ILE A 4 -7.642 0.008 -0.418 1.00 0.00 H +ATOM 68 HG12 ILE A 4 -9.148 -0.149 1.858 1.00 0.00 H +ATOM 69 HG13 ILE A 4 -7.684 0.477 2.549 1.00 0.00 H +ATOM 70 HG21 ILE A 4 -7.552 -2.404 -0.285 1.00 0.00 H +ATOM 71 HG22 ILE A 4 -7.704 -2.366 1.485 1.00 0.00 H +ATOM 72 HG23 ILE A 4 -9.059 -1.868 0.448 1.00 0.00 H +ATOM 73 HD11 ILE A 4 -7.779 2.452 1.188 1.00 0.00 H +ATOM 74 HD12 ILE A 4 -9.018 1.751 0.113 1.00 0.00 H +ATOM 75 HD13 ILE A 4 -9.431 2.192 1.775 1.00 0.00 H +ATOM 76 N GLN A 5 -5.097 -0.628 -1.481 1.00 0.00 N +ATOM 77 CA GLN A 5 -4.416 -1.240 -2.624 1.00 0.00 C +ATOM 78 C GLN A 5 -2.926 -1.482 -2.349 1.00 0.00 C +ATOM 79 O GLN A 5 -2.406 -2.535 -2.707 1.00 0.00 O +ATOM 80 CB GLN A 5 -4.601 -0.369 -3.878 1.00 0.00 C +ATOM 81 CG GLN A 5 -4.909 -1.238 -5.106 1.00 0.00 C +ATOM 82 CD GLN A 5 -4.680 -0.468 -6.398 1.00 0.00 C +ATOM 83 OE1 GLN A 5 -5.535 0.265 -6.866 1.00 0.00 O +ATOM 84 NE2 GLN A 5 -3.518 -0.604 -7.008 1.00 0.00 N +ATOM 85 H GLN A 5 -5.464 0.307 -1.591 1.00 0.00 H +ATOM 86 HA GLN A 5 -4.871 -2.214 -2.798 1.00 0.00 H +ATOM 87 HB2 GLN A 5 -5.414 0.312 -3.716 1.00 0.00 H +ATOM 88 HB3 GLN A 5 -3.691 0.207 -4.059 1.00 0.00 H +ATOM 89 HG2 GLN A 5 -4.269 -2.099 -5.094 1.00 0.00 H +ATOM 90 HG3 GLN A 5 -5.953 -1.554 -5.065 1.00 0.00 H +ATOM 91 HE21 GLN A 5 -2.791 -1.203 -6.654 1.00 0.00 H +ATOM 92 HE22 GLN A 5 -3.429 -0.080 -7.861 1.00 0.00 H +ATOM 93 N TRP A 6 -2.259 -0.532 -1.681 1.00 0.00 N +ATOM 94 CA TRP A 6 -0.876 -0.690 -1.231 1.00 0.00 C +ATOM 95 C TRP A 6 -0.716 -1.832 -0.211 1.00 0.00 C +ATOM 96 O TRP A 6 0.176 -2.668 -0.361 1.00 0.00 O +ATOM 97 CB TRP A 6 -0.374 0.647 -0.679 1.00 0.00 C +ATOM 98 CG TRP A 6 1.038 0.612 -0.187 1.00 0.00 C +ATOM 99 CD1 TRP A 6 2.141 0.697 -0.963 1.00 0.00 C +ATOM 100 CD2 TRP A 6 1.520 0.464 1.184 1.00 0.00 C +ATOM 101 NE1 TRP A 6 3.265 0.595 -0.168 1.00 0.00 N +ATOM 102 CE2 TRP A 6 2.944 0.448 1.159 1.00 0.00 C +ATOM 103 CE3 TRP A 6 0.902 0.355 2.448 1.00 0.00 C +ATOM 104 CZ2 TRP A 6 3.724 0.344 2.317 1.00 0.00 C +ATOM 105 CZ3 TRP A 6 1.675 0.244 3.623 1.00 0.00 C +ATOM 106 CH2 TRP A 6 3.080 0.249 3.561 1.00 0.00 C +ATOM 107 H TRP A 6 -2.752 0.326 -1.458 1.00 0.00 H +ATOM 108 HA TRP A 6 -0.260 -0.952 -2.093 1.00 0.00 H +ATOM 109 HB2 TRP A 6 -0.441 1.380 -1.459 1.00 0.00 H +ATOM 110 HB3 TRP A 6 -1.015 0.962 0.144 1.00 0.00 H +ATOM 111 HD1 TRP A 6 2.138 0.826 -2.038 1.00 0.00 H +ATOM 112 HE1 TRP A 6 4.223 0.685 -0.491 1.00 0.00 H +ATOM 113 HE3 TRP A 6 -0.175 0.378 2.506 1.00 0.00 H +ATOM 114 HZ2 TRP A 6 4.802 0.341 2.239 1.00 0.00 H +ATOM 115 HZ3 TRP A 6 1.187 0.174 4.582 1.00 0.00 H +ATOM 116 HH2 TRP A 6 3.663 0.185 4.467 1.00 0.00 H +ATOM 117 N LEU A 7 -1.599 -1.914 0.796 1.00 0.00 N +ATOM 118 CA LEU A 7 -1.593 -3.012 1.768 1.00 0.00 C +ATOM 119 C LEU A 7 -1.846 -4.384 1.129 1.00 0.00 C +ATOM 120 O LEU A 7 -1.193 -5.345 1.538 1.00 0.00 O +ATOM 121 CB LEU A 7 -2.602 -2.751 2.902 1.00 0.00 C +ATOM 122 CG LEU A 7 -2.105 -1.780 3.989 1.00 0.00 C +ATOM 123 CD1 LEU A 7 -3.232 -1.537 4.996 1.00 0.00 C +ATOM 124 CD2 LEU A 7 -0.894 -2.319 4.764 1.00 0.00 C +ATOM 125 H LEU A 7 -2.301 -1.181 0.888 1.00 0.00 H +ATOM 126 HA LEU A 7 -0.591 -3.074 2.189 1.00 0.00 H +ATOM 127 HB2 LEU A 7 -3.494 -2.341 2.469 1.00 0.00 H +ATOM 128 HB3 LEU A 7 -2.838 -3.699 3.387 1.00 0.00 H +ATOM 129 HG LEU A 7 -1.835 -0.833 3.527 1.00 0.00 H +ATOM 130 HD11 LEU A 7 -4.108 -1.139 4.483 1.00 0.00 H +ATOM 131 HD12 LEU A 7 -3.500 -2.472 5.489 1.00 0.00 H +ATOM 132 HD13 LEU A 7 -2.913 -0.822 5.752 1.00 0.00 H +ATOM 133 HD21 LEU A 7 -1.122 -3.301 5.179 1.00 0.00 H +ATOM 134 HD22 LEU A 7 -0.027 -2.398 4.112 1.00 0.00 H +ATOM 135 HD23 LEU A 7 -0.639 -1.639 5.576 1.00 0.00 H +ATOM 136 N LYS A 8 -2.722 -4.491 0.113 1.00 0.00 N +ATOM 137 CA LYS A 8 -2.959 -5.749 -0.626 1.00 0.00 C +ATOM 138 C LYS A 8 -1.683 -6.372 -1.201 1.00 0.00 C +ATOM 139 O LYS A 8 -1.595 -7.593 -1.269 1.00 0.00 O +ATOM 140 CB LYS A 8 -4.007 -5.555 -1.743 1.00 0.00 C +ATOM 141 CG LYS A 8 -5.443 -5.846 -1.265 1.00 0.00 C +ATOM 142 CD LYS A 8 -6.440 -4.718 -1.552 1.00 0.00 C +ATOM 143 CE LYS A 8 -6.997 -4.739 -2.978 1.00 0.00 C +ATOM 144 NZ LYS A 8 -7.865 -3.560 -3.222 1.00 0.00 N +ATOM 145 H LYS A 8 -3.252 -3.655 -0.124 1.00 0.00 H +ATOM 146 HA LYS A 8 -3.328 -6.495 0.081 1.00 0.00 H +ATOM 147 HB2 LYS A 8 -3.958 -4.540 -2.087 1.00 0.00 H +ATOM 148 HB3 LYS A 8 -3.787 -6.243 -2.562 1.00 0.00 H +ATOM 149 HG2 LYS A 8 -5.788 -6.734 -1.758 1.00 0.00 H +ATOM 150 HG3 LYS A 8 -5.439 -6.011 -0.187 1.00 0.00 H +ATOM 151 HD2 LYS A 8 -7.260 -4.808 -0.866 1.00 0.00 H +ATOM 152 HD3 LYS A 8 -5.951 -3.767 -1.378 1.00 0.00 H +ATOM 153 HE2 LYS A 8 -6.181 -4.725 -3.675 1.00 0.00 H +ATOM 154 HE3 LYS A 8 -7.572 -5.660 -3.111 1.00 0.00 H +ATOM 155 HZ1 LYS A 8 -8.644 -3.562 -2.574 1.00 0.00 H +ATOM 156 HZ2 LYS A 8 -7.341 -2.706 -3.093 1.00 0.00 H +ATOM 157 HZ3 LYS A 8 -8.232 -3.580 -4.164 1.00 0.00 H +ATOM 158 N ASP A 9 -0.696 -5.556 -1.580 1.00 0.00 N +ATOM 159 CA ASP A 9 0.598 -6.026 -2.075 1.00 0.00 C +ATOM 160 C ASP A 9 1.519 -6.577 -0.966 1.00 0.00 C +ATOM 161 O ASP A 9 2.545 -7.185 -1.279 1.00 0.00 O +ATOM 162 CB ASP A 9 1.286 -4.862 -2.807 1.00 0.00 C +ATOM 163 CG ASP A 9 2.136 -5.346 -3.982 1.00 0.00 C +ATOM 164 OD1 ASP A 9 1.579 -5.513 -5.084 1.00 0.00 O +ATOM 165 OD2 ASP A 9 3.373 -5.444 -3.814 1.00 0.00 O +ATOM 166 H ASP A 9 -0.850 -4.558 -1.514 1.00 0.00 H +ATOM 167 HA ASP A 9 0.421 -6.829 -2.794 1.00 0.00 H +ATOM 168 HB2 ASP A 9 0.534 -4.192 -3.177 1.00 0.00 H +ATOM 169 HB3 ASP A 9 1.907 -4.305 -2.103 1.00 0.00 H +ATOM 170 N GLY A 10 1.200 -6.338 0.319 1.00 0.00 N +ATOM 171 CA GLY A 10 1.994 -6.734 1.492 1.00 0.00 C +ATOM 172 C GLY A 10 2.551 -5.569 2.334 1.00 0.00 C +ATOM 173 O GLY A 10 3.261 -5.808 3.315 1.00 0.00 O +ATOM 174 H GLY A 10 0.312 -5.879 0.502 1.00 0.00 H +ATOM 175 HA2 GLY A 10 1.360 -7.337 2.142 1.00 0.00 H +ATOM 176 HA3 GLY A 10 2.835 -7.356 1.186 1.00 0.00 H +ATOM 177 N GLY A 11 2.238 -4.314 1.983 1.00 0.00 N +ATOM 178 CA GLY A 11 2.630 -3.135 2.756 1.00 0.00 C +ATOM 179 C GLY A 11 4.156 -2.921 2.790 1.00 0.00 C +ATOM 180 O GLY A 11 4.786 -2.907 1.729 1.00 0.00 O +ATOM 181 H GLY A 11 1.725 -4.177 1.122 1.00 0.00 H +ATOM 182 HA2 GLY A 11 2.172 -2.252 2.310 1.00 0.00 H +ATOM 183 HA3 GLY A 11 2.237 -3.250 3.763 1.00 0.00 H +ATOM 184 N PRO A 12 4.785 -2.743 3.974 1.00 0.00 N +ATOM 185 CA PRO A 12 6.237 -2.551 4.077 1.00 0.00 C +ATOM 186 C PRO A 12 7.066 -3.702 3.485 1.00 0.00 C +ATOM 187 O PRO A 12 8.207 -3.486 3.077 1.00 0.00 O +ATOM 188 CB PRO A 12 6.543 -2.392 5.572 1.00 0.00 C +ATOM 189 CG PRO A 12 5.203 -2.021 6.203 1.00 0.00 C +ATOM 190 CD PRO A 12 4.182 -2.709 5.300 1.00 0.00 C +ATOM 191 HA PRO A 12 6.501 -1.628 3.560 1.00 0.00 H +ATOM 192 HB2 PRO A 12 6.913 -3.312 5.983 1.00 0.00 H +ATOM 193 HB3 PRO A 12 7.291 -1.616 5.745 1.00 0.00 H +ATOM 194 HG2 PRO A 12 5.137 -2.391 7.208 1.00 0.00 H +ATOM 195 HG3 PRO A 12 5.065 -0.941 6.157 1.00 0.00 H +ATOM 196 HD2 PRO A 12 3.987 -3.705 5.648 1.00 0.00 H +ATOM 197 HD3 PRO A 12 3.247 -2.149 5.311 1.00 0.00 H +ATOM 198 N SER A 13 6.502 -4.917 3.405 1.00 0.00 N +ATOM 199 CA SER A 13 7.196 -6.128 2.940 1.00 0.00 C +ATOM 200 C SER A 13 7.128 -6.326 1.416 1.00 0.00 C +ATOM 201 O SER A 13 7.334 -7.437 0.931 1.00 0.00 O +ATOM 202 CB SER A 13 6.674 -7.367 3.682 1.00 0.00 C +ATOM 203 OG SER A 13 6.833 -7.217 5.081 1.00 0.00 O +ATOM 204 H SER A 13 5.524 -4.999 3.654 1.00 0.00 H +ATOM 205 HA SER A 13 8.254 -6.034 3.186 1.00 0.00 H +ATOM 206 HB2 SER A 13 5.633 -7.499 3.458 1.00 0.00 H +ATOM 207 HB3 SER A 13 7.251 -8.238 3.368 1.00 0.00 H +ATOM 208 HG SER A 13 6.115 -6.675 5.416 1.00 0.00 H +ATOM 209 N SER A 14 6.854 -5.257 0.662 1.00 0.00 N +ATOM 210 CA SER A 14 6.584 -5.293 -0.785 1.00 0.00 C +ATOM 211 C SER A 14 7.566 -4.459 -1.616 1.00 0.00 C +ATOM 212 O SER A 14 7.367 -4.289 -2.817 1.00 0.00 O +ATOM 213 CB SER A 14 5.146 -4.838 -1.031 1.00 0.00 C +ATOM 214 OG SER A 14 4.277 -5.620 -0.252 1.00 0.00 O +ATOM 215 H SER A 14 6.601 -4.410 1.157 1.00 0.00 H +ATOM 216 HA SER A 14 6.658 -6.321 -1.144 1.00 0.00 H +ATOM 217 HB2 SER A 14 5.044 -3.806 -0.757 1.00 0.00 H +ATOM 218 HB3 SER A 14 4.908 -4.937 -2.086 1.00 0.00 H +ATOM 219 HG SER A 14 3.762 -6.253 -0.814 1.00 0.00 H +ATOM 220 N GLY A 15 8.616 -3.911 -0.986 1.00 0.00 N +ATOM 221 CA GLY A 15 9.650 -3.115 -1.655 1.00 0.00 C +ATOM 222 C GLY A 15 9.148 -1.778 -2.215 1.00 0.00 C +ATOM 223 O GLY A 15 9.705 -1.282 -3.192 1.00 0.00 O +ATOM 224 H GLY A 15 8.720 -4.130 -0.003 1.00 0.00 H +ATOM 225 HA2 GLY A 15 10.451 -2.904 -0.947 1.00 0.00 H +ATOM 226 HA3 GLY A 15 10.069 -3.693 -2.479 1.00 0.00 H +ATOM 227 N ARG A 16 8.090 -1.203 -1.622 1.00 0.00 N +ATOM 228 CA ARG A 16 7.417 0.014 -2.096 1.00 0.00 C +ATOM 229 C ARG A 16 6.924 0.888 -0.926 1.00 0.00 C +ATOM 230 O ARG A 16 6.280 0.358 -0.018 1.00 0.00 O +ATOM 231 CB ARG A 16 6.269 -0.371 -3.052 1.00 0.00 C +ATOM 232 CG ARG A 16 5.250 -1.359 -2.458 1.00 0.00 C +ATOM 233 CD ARG A 16 4.104 -1.695 -3.419 1.00 0.00 C +ATOM 234 NE ARG A 16 4.341 -2.957 -4.134 1.00 0.00 N +ATOM 235 CZ ARG A 16 4.904 -3.201 -5.305 1.00 0.00 C +ATOM 236 NH1 ARG A 16 5.427 -2.257 -6.053 1.00 0.00 N +ATOM 237 NH2 ARG A 16 4.910 -4.436 -5.734 1.00 0.00 N +ATOM 238 H ARG A 16 7.706 -1.667 -0.809 1.00 0.00 H +ATOM 239 HA ARG A 16 8.145 0.582 -2.674 1.00 0.00 H +ATOM 240 HB2 ARG A 16 5.747 0.525 -3.327 1.00 0.00 H +ATOM 241 HB3 ARG A 16 6.708 -0.821 -3.943 1.00 0.00 H +ATOM 242 HG2 ARG A 16 5.762 -2.268 -2.207 1.00 0.00 H +ATOM 243 HG3 ARG A 16 4.813 -0.934 -1.563 1.00 0.00 H +ATOM 244 HD2 ARG A 16 3.194 -1.780 -2.857 1.00 0.00 H +ATOM 245 HD3 ARG A 16 3.933 -0.873 -4.115 1.00 0.00 H +ATOM 246 HE ARG A 16 3.985 -3.821 -3.714 1.00 0.00 H +ATOM 247 HH11 ARG A 16 5.402 -1.317 -5.706 1.00 0.00 H +ATOM 248 HH12 ARG A 16 5.836 -2.486 -6.938 1.00 0.00 H +ATOM 249 HH21 ARG A 16 4.381 -5.092 -5.130 1.00 0.00 H +ATOM 250 HH22 ARG A 16 5.299 -4.728 -6.606 1.00 0.00 H +ATOM 251 N PRO A 17 7.173 2.212 -0.928 1.00 0.00 N +ATOM 252 CA PRO A 17 6.709 3.107 0.135 1.00 0.00 C +ATOM 253 C PRO A 17 5.179 3.304 0.093 1.00 0.00 C +ATOM 254 O PRO A 17 4.572 3.105 -0.963 1.00 0.00 O +ATOM 255 CB PRO A 17 7.453 4.424 -0.105 1.00 0.00 C +ATOM 256 CG PRO A 17 7.690 4.435 -1.615 1.00 0.00 C +ATOM 257 CD PRO A 17 7.884 2.960 -1.955 1.00 0.00 C +ATOM 258 HA PRO A 17 6.996 2.696 1.103 1.00 0.00 H +ATOM 259 HB2 PRO A 17 6.854 5.262 0.195 1.00 0.00 H +ATOM 260 HB3 PRO A 17 8.414 4.395 0.413 1.00 0.00 H +ATOM 261 HG2 PRO A 17 6.842 4.840 -2.134 1.00 0.00 H +ATOM 262 HG3 PRO A 17 8.568 5.026 -1.881 1.00 0.00 H +ATOM 263 HD2 PRO A 17 7.475 2.744 -2.923 1.00 0.00 H +ATOM 264 HD3 PRO A 17 8.945 2.707 -1.917 1.00 0.00 H +ATOM 265 N PRO A 18 4.547 3.703 1.215 1.00 0.00 N +ATOM 266 CA PRO A 18 3.107 3.958 1.273 1.00 0.00 C +ATOM 267 C PRO A 18 2.718 5.246 0.522 1.00 0.00 C +ATOM 268 O PRO A 18 3.537 6.161 0.405 1.00 0.00 O +ATOM 269 CB PRO A 18 2.775 4.060 2.766 1.00 0.00 C +ATOM 270 CG PRO A 18 4.078 4.556 3.393 1.00 0.00 C +ATOM 271 CD PRO A 18 5.157 3.921 2.519 1.00 0.00 C +ATOM 272 HA PRO A 18 2.574 3.114 0.842 1.00 0.00 H +ATOM 273 HB2 PRO A 18 1.979 4.759 2.934 1.00 0.00 H +ATOM 274 HB3 PRO A 18 2.537 3.072 3.156 1.00 0.00 H +ATOM 275 HG2 PRO A 18 4.137 5.627 3.359 1.00 0.00 H +ATOM 276 HG3 PRO A 18 4.168 4.245 4.434 1.00 0.00 H +ATOM 277 HD2 PRO A 18 5.999 4.580 2.430 1.00 0.00 H +ATOM 278 HD3 PRO A 18 5.454 2.961 2.942 1.00 0.00 H +ATOM 279 N PRO A 19 1.462 5.356 0.042 1.00 0.00 N +ATOM 280 CA PRO A 19 0.965 6.565 -0.607 1.00 0.00 C +ATOM 281 C PRO A 19 0.679 7.670 0.424 1.00 0.00 C +ATOM 282 O PRO A 19 0.133 7.394 1.493 1.00 0.00 O +ATOM 283 CB PRO A 19 -0.307 6.120 -1.337 1.00 0.00 C +ATOM 284 CG PRO A 19 -0.842 4.980 -0.470 1.00 0.00 C +ATOM 285 CD PRO A 19 0.425 4.333 0.092 1.00 0.00 C +ATOM 286 HA PRO A 19 1.694 6.927 -1.334 1.00 0.00 H +ATOM 287 HB2 PRO A 19 -1.016 6.923 -1.394 1.00 0.00 H +ATOM 288 HB3 PRO A 19 -0.038 5.730 -2.321 1.00 0.00 H +ATOM 289 HG2 PRO A 19 -1.462 5.358 0.320 1.00 0.00 H +ATOM 290 HG3 PRO A 19 -1.427 4.271 -1.057 1.00 0.00 H +ATOM 291 HD2 PRO A 19 0.263 4.017 1.104 1.00 0.00 H +ATOM 292 HD3 PRO A 19 0.718 3.493 -0.537 1.00 0.00 H +ATOM 293 N SER A 20 1.033 8.915 0.077 1.00 0.00 N +ATOM 294 CA SER A 20 0.705 10.139 0.828 1.00 0.00 C +ATOM 295 C SER A 20 -0.786 10.478 0.742 1.00 0.00 C +ATOM 296 O SER A 20 -1.375 10.693 1.822 1.00 0.00 O +ATOM 297 CB SER A 20 1.520 11.322 0.296 1.00 0.00 C +ATOM 298 OG SER A 20 2.902 11.054 0.415 1.00 0.00 O +ATOM 299 OXT SER A 20 -1.297 10.548 -0.398 1.00 0.00 O +ATOM 300 H SER A 20 1.493 9.051 -0.810 1.00 0.00 H +ATOM 301 HA SER A 20 0.929 9.985 1.882 1.00 0.00 H +ATOM 302 HB2 SER A 20 1.278 11.484 -0.737 1.00 0.00 H +ATOM 303 HB3 SER A 20 1.270 12.218 0.868 1.00 0.00 H +ATOM 304 HG SER A 20 3.079 10.774 1.317 1.00 0.00 H +TER 305 SER A 20 +ENDMDL +MODEL 31 +ATOM 1 N ASN A 1 -5.909 7.522 0.267 1.00 0.00 N +ATOM 2 CA ASN A 1 -6.878 6.859 -0.640 1.00 0.00 C +ATOM 3 C ASN A 1 -6.387 5.474 -1.074 1.00 0.00 C +ATOM 4 O ASN A 1 -7.073 4.506 -0.795 1.00 0.00 O +ATOM 5 CB ASN A 1 -7.238 7.752 -1.848 1.00 0.00 C +ATOM 6 CG ASN A 1 -6.030 7.972 -2.754 1.00 0.00 C +ATOM 7 OD1 ASN A 1 -4.939 8.212 -2.259 1.00 0.00 O +ATOM 8 ND2 ASN A 1 -6.143 7.768 -4.052 1.00 0.00 N +ATOM 9 H1 ASN A 1 -5.599 6.883 0.986 1.00 0.00 H +ATOM 10 H2 ASN A 1 -5.112 7.842 -0.277 1.00 0.00 H +ATOM 11 H3 ASN A 1 -6.337 8.328 0.703 1.00 0.00 H +ATOM 12 HA ASN A 1 -7.798 6.680 -0.079 1.00 0.00 H +ATOM 13 HB2 ASN A 1 -8.017 7.278 -2.413 1.00 0.00 H +ATOM 14 HB3 ASN A 1 -7.592 8.722 -1.493 1.00 0.00 H +ATOM 15 HD21 ASN A 1 -7.007 7.508 -4.498 1.00 0.00 H +ATOM 16 HD22 ASN A 1 -5.297 7.914 -4.581 1.00 0.00 H +ATOM 17 N LEU A 2 -5.214 5.357 -1.714 1.00 0.00 N +ATOM 18 CA LEU A 2 -4.723 4.133 -2.374 1.00 0.00 C +ATOM 19 C LEU A 2 -4.072 3.112 -1.410 1.00 0.00 C +ATOM 20 O LEU A 2 -3.514 2.099 -1.824 1.00 0.00 O +ATOM 21 CB LEU A 2 -3.784 4.570 -3.527 1.00 0.00 C +ATOM 22 CG LEU A 2 -4.051 3.825 -4.857 1.00 0.00 C +ATOM 23 CD1 LEU A 2 -4.094 4.806 -6.033 1.00 0.00 C +ATOM 24 CD2 LEU A 2 -2.990 2.766 -5.156 1.00 0.00 C +ATOM 25 H LEU A 2 -4.694 6.204 -1.928 1.00 0.00 H +ATOM 26 HA LEU A 2 -5.592 3.628 -2.801 1.00 0.00 H +ATOM 27 HB2 LEU A 2 -3.918 5.621 -3.694 1.00 0.00 H +ATOM 28 HB3 LEU A 2 -2.742 4.452 -3.229 1.00 0.00 H +ATOM 29 HG LEU A 2 -5.023 3.338 -4.815 1.00 0.00 H +ATOM 30 HD11 LEU A 2 -4.920 5.505 -5.900 1.00 0.00 H +ATOM 31 HD12 LEU A 2 -3.158 5.361 -6.096 1.00 0.00 H +ATOM 32 HD13 LEU A 2 -4.250 4.259 -6.963 1.00 0.00 H +ATOM 33 HD21 LEU A 2 -2.068 3.238 -5.500 1.00 0.00 H +ATOM 34 HD22 LEU A 2 -2.771 2.189 -4.262 1.00 0.00 H +ATOM 35 HD23 LEU A 2 -3.360 2.093 -5.930 1.00 0.00 H +ATOM 36 N TYR A 3 -4.158 3.379 -0.100 1.00 0.00 N +ATOM 37 CA TYR A 3 -3.550 2.591 0.970 1.00 0.00 C +ATOM 38 C TYR A 3 -4.064 1.142 1.019 1.00 0.00 C +ATOM 39 O TYR A 3 -3.312 0.246 1.398 1.00 0.00 O +ATOM 40 CB TYR A 3 -3.780 3.308 2.312 1.00 0.00 C +ATOM 41 CG TYR A 3 -2.551 3.326 3.197 1.00 0.00 C +ATOM 42 CD1 TYR A 3 -2.261 2.225 4.024 1.00 0.00 C +ATOM 43 CD2 TYR A 3 -1.687 4.439 3.181 1.00 0.00 C +ATOM 44 CE1 TYR A 3 -1.106 2.230 4.829 1.00 0.00 C +ATOM 45 CE2 TYR A 3 -0.529 4.448 3.976 1.00 0.00 C +ATOM 46 CZ TYR A 3 -0.232 3.340 4.800 1.00 0.00 C +ATOM 47 OH TYR A 3 0.880 3.349 5.583 1.00 0.00 O +ATOM 48 H TYR A 3 -4.674 4.203 0.150 1.00 0.00 H +ATOM 49 HA TYR A 3 -2.477 2.550 0.784 1.00 0.00 H +ATOM 50 HB2 TYR A 3 -4.071 4.321 2.112 1.00 0.00 H +ATOM 51 HB3 TYR A 3 -4.604 2.835 2.848 1.00 0.00 H +ATOM 52 HD1 TYR A 3 -2.925 1.374 4.033 1.00 0.00 H +ATOM 53 HD2 TYR A 3 -1.899 5.294 2.555 1.00 0.00 H +ATOM 54 HE1 TYR A 3 -0.876 1.391 5.467 1.00 0.00 H +ATOM 55 HE2 TYR A 3 0.134 5.301 3.953 1.00 0.00 H +ATOM 56 HH TYR A 3 0.691 3.713 6.450 1.00 0.00 H +ATOM 57 N ILE A 4 -5.318 0.899 0.604 1.00 0.00 N +ATOM 58 CA ILE A 4 -5.916 -0.442 0.543 1.00 0.00 C +ATOM 59 C ILE A 4 -5.144 -1.321 -0.447 1.00 0.00 C +ATOM 60 O ILE A 4 -4.704 -2.405 -0.072 1.00 0.00 O +ATOM 61 CB ILE A 4 -7.426 -0.393 0.201 1.00 0.00 C +ATOM 62 CG1 ILE A 4 -8.210 0.560 1.137 1.00 0.00 C +ATOM 63 CG2 ILE A 4 -8.041 -1.802 0.286 1.00 0.00 C +ATOM 64 CD1 ILE A 4 -8.670 1.817 0.395 1.00 0.00 C +ATOM 65 H ILE A 4 -5.870 1.690 0.302 1.00 0.00 H +ATOM 66 HA ILE A 4 -5.811 -0.900 1.529 1.00 0.00 H +ATOM 67 HB ILE A 4 -7.537 -0.053 -0.832 1.00 0.00 H +ATOM 68 HG12 ILE A 4 -9.071 0.045 1.518 1.00 0.00 H +ATOM 69 HG13 ILE A 4 -7.591 0.854 1.986 1.00 0.00 H +ATOM 70 HG21 ILE A 4 -7.564 -2.474 -0.427 1.00 0.00 H +ATOM 71 HG22 ILE A 4 -7.920 -2.203 1.294 1.00 0.00 H +ATOM 72 HG23 ILE A 4 -9.103 -1.755 0.046 1.00 0.00 H +ATOM 73 HD11 ILE A 4 -7.834 2.238 -0.159 1.00 0.00 H +ATOM 74 HD12 ILE A 4 -9.467 1.560 -0.304 1.00 0.00 H +ATOM 75 HD13 ILE A 4 -9.041 2.553 1.108 1.00 0.00 H +ATOM 76 N GLN A 5 -4.941 -0.843 -1.684 1.00 0.00 N +ATOM 77 CA GLN A 5 -4.117 -1.514 -2.693 1.00 0.00 C +ATOM 78 C GLN A 5 -2.686 -1.746 -2.187 1.00 0.00 C +ATOM 79 O GLN A 5 -2.209 -2.879 -2.229 1.00 0.00 O +ATOM 80 CB GLN A 5 -4.134 -0.708 -4.002 1.00 0.00 C +ATOM 81 CG GLN A 5 -5.442 -0.901 -4.795 1.00 0.00 C +ATOM 82 CD GLN A 5 -6.166 0.412 -5.082 1.00 0.00 C +ATOM 83 OE1 GLN A 5 -6.464 1.188 -4.184 1.00 0.00 O +ATOM 84 NE2 GLN A 5 -6.497 0.688 -6.330 1.00 0.00 N +ATOM 85 H GLN A 5 -5.307 0.072 -1.913 1.00 0.00 H +ATOM 86 HA GLN A 5 -4.539 -2.498 -2.896 1.00 0.00 H +ATOM 87 HB2 GLN A 5 -4.024 0.333 -3.767 1.00 0.00 H +ATOM 88 HB3 GLN A 5 -3.302 -1.031 -4.631 1.00 0.00 H +ATOM 89 HG2 GLN A 5 -5.209 -1.374 -5.729 1.00 0.00 H +ATOM 90 HG3 GLN A 5 -6.129 -1.543 -4.244 1.00 0.00 H +ATOM 91 HE21 GLN A 5 -6.283 0.067 -7.093 1.00 0.00 H +ATOM 92 HE22 GLN A 5 -7.002 1.548 -6.458 1.00 0.00 H +ATOM 93 N TRP A 6 -2.034 -0.709 -1.645 1.00 0.00 N +ATOM 94 CA TRP A 6 -0.678 -0.829 -1.093 1.00 0.00 C +ATOM 95 C TRP A 6 -0.567 -1.888 0.023 1.00 0.00 C +ATOM 96 O TRP A 6 0.376 -2.684 0.030 1.00 0.00 O +ATOM 97 CB TRP A 6 -0.200 0.546 -0.612 1.00 0.00 C +ATOM 98 CG TRP A 6 1.200 0.544 -0.082 1.00 0.00 C +ATOM 99 CD1 TRP A 6 2.322 0.559 -0.836 1.00 0.00 C +ATOM 100 CD2 TRP A 6 1.651 0.467 1.306 1.00 0.00 C +ATOM 101 NE1 TRP A 6 3.427 0.481 -0.014 1.00 0.00 N +ATOM 102 CE2 TRP A 6 3.075 0.428 1.313 1.00 0.00 C +ATOM 103 CE3 TRP A 6 1.006 0.418 2.560 1.00 0.00 C +ATOM 104 CZ2 TRP A 6 3.828 0.362 2.492 1.00 0.00 C +ATOM 105 CZ3 TRP A 6 1.749 0.341 3.754 1.00 0.00 C +ATOM 106 CH2 TRP A 6 3.155 0.321 3.723 1.00 0.00 C +ATOM 107 H TRP A 6 -2.492 0.198 -1.645 1.00 0.00 H +ATOM 108 HA TRP A 6 -0.016 -1.157 -1.898 1.00 0.00 H +ATOM 109 HB2 TRP A 6 -0.249 1.230 -1.438 1.00 0.00 H +ATOM 110 HB3 TRP A 6 -0.866 0.904 0.171 1.00 0.00 H +ATOM 111 HD1 TRP A 6 2.344 0.600 -1.918 1.00 0.00 H +ATOM 112 HE1 TRP A 6 4.399 0.465 -0.330 1.00 0.00 H +ATOM 113 HE3 TRP A 6 -0.073 0.449 2.593 1.00 0.00 H +ATOM 114 HZ2 TRP A 6 4.906 0.339 2.439 1.00 0.00 H +ATOM 115 HZ3 TRP A 6 1.239 0.310 4.706 1.00 0.00 H +ATOM 116 HH2 TRP A 6 3.716 0.279 4.647 1.00 0.00 H +ATOM 117 N LEU A 7 -1.531 -1.946 0.950 1.00 0.00 N +ATOM 118 CA LEU A 7 -1.587 -3.012 1.954 1.00 0.00 C +ATOM 119 C LEU A 7 -1.883 -4.387 1.338 1.00 0.00 C +ATOM 120 O LEU A 7 -1.259 -5.363 1.752 1.00 0.00 O +ATOM 121 CB LEU A 7 -2.605 -2.670 3.056 1.00 0.00 C +ATOM 122 CG LEU A 7 -2.118 -1.596 4.051 1.00 0.00 C +ATOM 123 CD1 LEU A 7 -3.255 -1.244 5.014 1.00 0.00 C +ATOM 124 CD2 LEU A 7 -0.920 -2.061 4.892 1.00 0.00 C +ATOM 125 H LEU A 7 -2.264 -1.238 0.941 1.00 0.00 H +ATOM 126 HA LEU A 7 -0.599 -3.102 2.404 1.00 0.00 H +ATOM 127 HB2 LEU A 7 -3.502 -2.314 2.587 1.00 0.00 H +ATOM 128 HB3 LEU A 7 -2.828 -3.576 3.621 1.00 0.00 H +ATOM 129 HG LEU A 7 -1.835 -0.698 3.507 1.00 0.00 H +ATOM 130 HD11 LEU A 7 -4.107 -0.863 4.451 1.00 0.00 H +ATOM 131 HD12 LEU A 7 -3.559 -2.129 5.572 1.00 0.00 H +ATOM 132 HD13 LEU A 7 -2.924 -0.478 5.716 1.00 0.00 H +ATOM 133 HD21 LEU A 7 -1.159 -2.994 5.401 1.00 0.00 H +ATOM 134 HD22 LEU A 7 -0.046 -2.207 4.261 1.00 0.00 H +ATOM 135 HD23 LEU A 7 -0.673 -1.303 5.635 1.00 0.00 H +ATOM 136 N LYS A 8 -2.772 -4.477 0.334 1.00 0.00 N +ATOM 137 CA LYS A 8 -3.105 -5.716 -0.398 1.00 0.00 C +ATOM 138 C LYS A 8 -1.879 -6.425 -0.982 1.00 0.00 C +ATOM 139 O LYS A 8 -1.855 -7.653 -0.986 1.00 0.00 O +ATOM 140 CB LYS A 8 -4.125 -5.413 -1.517 1.00 0.00 C +ATOM 141 CG LYS A 8 -5.509 -6.032 -1.296 1.00 0.00 C +ATOM 142 CD LYS A 8 -5.571 -7.539 -1.610 1.00 0.00 C +ATOM 143 CE LYS A 8 -6.790 -7.876 -2.484 1.00 0.00 C +ATOM 144 NZ LYS A 8 -6.467 -7.814 -3.931 1.00 0.00 N +ATOM 145 H LYS A 8 -3.262 -3.623 0.071 1.00 0.00 H +ATOM 146 HA LYS A 8 -3.545 -6.418 0.311 1.00 0.00 H +ATOM 147 HB2 LYS A 8 -4.241 -4.349 -1.587 1.00 0.00 H +ATOM 148 HB3 LYS A 8 -3.737 -5.743 -2.483 1.00 0.00 H +ATOM 149 HG2 LYS A 8 -5.784 -5.888 -0.269 1.00 0.00 H +ATOM 150 HG3 LYS A 8 -6.212 -5.498 -1.938 1.00 0.00 H +ATOM 151 HD2 LYS A 8 -4.677 -7.825 -2.131 1.00 0.00 H +ATOM 152 HD3 LYS A 8 -5.653 -8.084 -0.669 1.00 0.00 H +ATOM 153 HE2 LYS A 8 -7.125 -8.867 -2.245 1.00 0.00 H +ATOM 154 HE3 LYS A 8 -7.598 -7.177 -2.246 1.00 0.00 H +ATOM 155 HZ1 LYS A 8 -6.123 -6.897 -4.179 1.00 0.00 H +ATOM 156 HZ2 LYS A 8 -5.753 -8.496 -4.155 1.00 0.00 H +ATOM 157 HZ3 LYS A 8 -7.289 -8.017 -4.487 1.00 0.00 H +ATOM 158 N ASP A 9 -0.876 -5.673 -1.449 1.00 0.00 N +ATOM 159 CA ASP A 9 0.398 -6.223 -1.930 1.00 0.00 C +ATOM 160 C ASP A 9 1.311 -6.762 -0.805 1.00 0.00 C +ATOM 161 O ASP A 9 2.203 -7.564 -1.082 1.00 0.00 O +ATOM 162 CB ASP A 9 1.147 -5.144 -2.731 1.00 0.00 C +ATOM 163 CG ASP A 9 0.467 -4.801 -4.061 1.00 0.00 C +ATOM 164 OD1 ASP A 9 0.157 -5.754 -4.813 1.00 0.00 O +ATOM 165 OD2 ASP A 9 0.290 -3.591 -4.324 1.00 0.00 O +ATOM 166 H ASP A 9 -1.030 -4.670 -1.499 1.00 0.00 H +ATOM 167 HA ASP A 9 0.195 -7.060 -2.600 1.00 0.00 H +ATOM 168 HB2 ASP A 9 1.201 -4.253 -2.136 1.00 0.00 H +ATOM 169 HB3 ASP A 9 2.152 -5.505 -2.957 1.00 0.00 H +ATOM 170 N GLY A 10 1.096 -6.352 0.456 1.00 0.00 N +ATOM 171 CA GLY A 10 1.939 -6.705 1.606 1.00 0.00 C +ATOM 172 C GLY A 10 2.565 -5.512 2.347 1.00 0.00 C +ATOM 173 O GLY A 10 3.435 -5.730 3.206 1.00 0.00 O +ATOM 174 H GLY A 10 0.261 -5.800 0.631 1.00 0.00 H +ATOM 175 HA2 GLY A 10 1.326 -7.256 2.320 1.00 0.00 H +ATOM 176 HA3 GLY A 10 2.746 -7.365 1.289 1.00 0.00 H +ATOM 177 N GLY A 11 2.176 -4.272 2.029 1.00 0.00 N +ATOM 178 CA GLY A 11 2.626 -3.057 2.710 1.00 0.00 C +ATOM 179 C GLY A 11 4.158 -2.915 2.747 1.00 0.00 C +ATOM 180 O GLY A 11 4.789 -2.963 1.691 1.00 0.00 O +ATOM 181 H GLY A 11 1.547 -4.148 1.241 1.00 0.00 H +ATOM 182 HA2 GLY A 11 2.223 -2.195 2.180 1.00 0.00 H +ATOM 183 HA3 GLY A 11 2.209 -3.058 3.715 1.00 0.00 H +ATOM 184 N PRO A 12 4.800 -2.763 3.930 1.00 0.00 N +ATOM 185 CA PRO A 12 6.259 -2.630 4.030 1.00 0.00 C +ATOM 186 C PRO A 12 7.037 -3.777 3.366 1.00 0.00 C +ATOM 187 O PRO A 12 8.146 -3.571 2.879 1.00 0.00 O +ATOM 188 CB PRO A 12 6.578 -2.563 5.529 1.00 0.00 C +ATOM 189 CG PRO A 12 5.267 -2.123 6.174 1.00 0.00 C +ATOM 190 CD PRO A 12 4.203 -2.726 5.258 1.00 0.00 C +ATOM 191 HA PRO A 12 6.554 -1.691 3.560 1.00 0.00 H +ATOM 192 HB2 PRO A 12 6.879 -3.525 5.897 1.00 0.00 H +ATOM 193 HB3 PRO A 12 7.381 -1.855 5.734 1.00 0.00 H +ATOM 194 HG2 PRO A 12 5.180 -2.511 7.171 1.00 0.00 H +ATOM 195 HG3 PRO A 12 5.195 -1.035 6.150 1.00 0.00 H +ATOM 196 HD2 PRO A 12 3.949 -3.717 5.582 1.00 0.00 H +ATOM 197 HD3 PRO A 12 3.303 -2.112 5.287 1.00 0.00 H +ATOM 198 N SER A 13 6.444 -4.979 3.307 1.00 0.00 N +ATOM 199 CA SER A 13 7.043 -6.156 2.670 1.00 0.00 C +ATOM 200 C SER A 13 6.983 -6.137 1.130 1.00 0.00 C +ATOM 201 O SER A 13 7.548 -7.021 0.494 1.00 0.00 O +ATOM 202 CB SER A 13 6.428 -7.435 3.253 1.00 0.00 C +ATOM 203 OG SER A 13 5.089 -7.644 2.842 1.00 0.00 O +ATOM 204 H SER A 13 5.500 -5.052 3.666 1.00 0.00 H +ATOM 205 HA SER A 13 8.101 -6.173 2.933 1.00 0.00 H +ATOM 206 HB2 SER A 13 7.018 -8.273 2.935 1.00 0.00 H +ATOM 207 HB3 SER A 13 6.467 -7.386 4.343 1.00 0.00 H +ATOM 208 HG SER A 13 4.507 -6.893 3.104 1.00 0.00 H +ATOM 209 N SER A 14 6.343 -5.125 0.518 1.00 0.00 N +ATOM 210 CA SER A 14 6.214 -4.963 -0.941 1.00 0.00 C +ATOM 211 C SER A 14 7.325 -4.127 -1.595 1.00 0.00 C +ATOM 212 O SER A 14 7.306 -3.936 -2.809 1.00 0.00 O +ATOM 213 CB SER A 14 4.882 -4.280 -1.265 1.00 0.00 C +ATOM 214 OG SER A 14 3.823 -4.982 -0.663 1.00 0.00 O +ATOM 215 H SER A 14 5.902 -4.413 1.097 1.00 0.00 H +ATOM 216 HA SER A 14 6.217 -5.946 -1.415 1.00 0.00 H +ATOM 217 HB2 SER A 14 4.899 -3.274 -0.893 1.00 0.00 H +ATOM 218 HB3 SER A 14 4.731 -4.256 -2.345 1.00 0.00 H +ATOM 219 HG SER A 14 4.199 -5.674 -0.113 1.00 0.00 H +ATOM 220 N GLY A 15 8.258 -3.554 -0.822 1.00 0.00 N +ATOM 221 CA GLY A 15 9.356 -2.717 -1.330 1.00 0.00 C +ATOM 222 C GLY A 15 8.956 -1.287 -1.733 1.00 0.00 C +ATOM 223 O GLY A 15 9.753 -0.366 -1.564 1.00 0.00 O +ATOM 224 H GLY A 15 8.204 -3.723 0.175 1.00 0.00 H +ATOM 225 HA2 GLY A 15 10.135 -2.654 -0.570 1.00 0.00 H +ATOM 226 HA3 GLY A 15 9.789 -3.199 -2.207 1.00 0.00 H +ATOM 227 N ARG A 16 7.740 -1.078 -2.255 1.00 0.00 N +ATOM 228 CA ARG A 16 7.196 0.244 -2.606 1.00 0.00 C +ATOM 229 C ARG A 16 6.800 1.026 -1.334 1.00 0.00 C +ATOM 230 O ARG A 16 6.153 0.438 -0.465 1.00 0.00 O +ATOM 231 CB ARG A 16 6.004 0.043 -3.562 1.00 0.00 C +ATOM 232 CG ARG A 16 5.598 1.337 -4.286 1.00 0.00 C +ATOM 233 CD ARG A 16 4.649 1.070 -5.464 1.00 0.00 C +ATOM 234 NE ARG A 16 5.376 0.549 -6.647 1.00 0.00 N +ATOM 235 CZ ARG A 16 5.988 1.239 -7.584 1.00 0.00 C +ATOM 236 NH1 ARG A 16 6.011 2.568 -7.581 1.00 0.00 N +ATOM 237 NH2 ARG A 16 6.613 0.642 -8.574 1.00 0.00 N +ATOM 238 H ARG A 16 7.177 -1.909 -2.406 1.00 0.00 H +ATOM 239 HA ARG A 16 7.984 0.785 -3.128 1.00 0.00 H +ATOM 240 HB2 ARG A 16 6.273 -0.691 -4.297 1.00 0.00 H +ATOM 241 HB3 ARG A 16 5.146 -0.347 -3.007 1.00 0.00 H +ATOM 242 HG2 ARG A 16 5.106 1.985 -3.586 1.00 0.00 H +ATOM 243 HG3 ARG A 16 6.488 1.833 -4.670 1.00 0.00 H +ATOM 244 HD2 ARG A 16 3.914 0.349 -5.162 1.00 0.00 H +ATOM 245 HD3 ARG A 16 4.142 2.000 -5.728 1.00 0.00 H +ATOM 246 HE ARG A 16 5.404 -0.458 -6.736 1.00 0.00 H +ATOM 247 HH11 ARG A 16 5.535 3.037 -6.833 1.00 0.00 H +ATOM 248 HH12 ARG A 16 6.471 3.081 -8.301 1.00 0.00 H +ATOM 249 HH21 ARG A 16 6.628 -0.366 -8.623 1.00 0.00 H +ATOM 250 HH22 ARG A 16 7.076 1.176 -9.280 1.00 0.00 H +ATOM 251 N PRO A 17 7.126 2.330 -1.200 1.00 0.00 N +ATOM 252 CA PRO A 17 6.809 3.113 0.002 1.00 0.00 C +ATOM 253 C PRO A 17 5.294 3.369 0.169 1.00 0.00 C +ATOM 254 O PRO A 17 4.551 3.273 -0.812 1.00 0.00 O +ATOM 255 CB PRO A 17 7.588 4.425 -0.160 1.00 0.00 C +ATOM 256 CG PRO A 17 7.688 4.594 -1.672 1.00 0.00 C +ATOM 257 CD PRO A 17 7.850 3.156 -2.157 1.00 0.00 C +ATOM 258 HA PRO A 17 7.177 2.582 0.880 1.00 0.00 H +ATOM 259 HB2 PRO A 17 7.056 5.245 0.283 1.00 0.00 H +ATOM 260 HB3 PRO A 17 8.589 4.309 0.258 1.00 0.00 H +ATOM 261 HG2 PRO A 17 6.798 5.040 -2.072 1.00 0.00 H +ATOM 262 HG3 PRO A 17 8.535 5.216 -1.960 1.00 0.00 H +ATOM 263 HD2 PRO A 17 7.432 3.044 -3.139 1.00 0.00 H +ATOM 264 HD3 PRO A 17 8.905 2.879 -2.151 1.00 0.00 H +ATOM 265 N PRO A 18 4.828 3.720 1.386 1.00 0.00 N +ATOM 266 CA PRO A 18 3.415 3.979 1.661 1.00 0.00 C +ATOM 267 C PRO A 18 2.921 5.257 0.956 1.00 0.00 C +ATOM 268 O PRO A 18 3.633 6.262 0.960 1.00 0.00 O +ATOM 269 CB PRO A 18 3.307 4.111 3.185 1.00 0.00 C +ATOM 270 CG PRO A 18 4.701 4.568 3.609 1.00 0.00 C +ATOM 271 CD PRO A 18 5.614 3.867 2.605 1.00 0.00 C +ATOM 272 HA PRO A 18 2.830 3.121 1.340 1.00 0.00 H +ATOM 273 HB2 PRO A 18 2.567 4.840 3.454 1.00 0.00 H +ATOM 274 HB3 PRO A 18 3.099 3.135 3.621 1.00 0.00 H +ATOM 275 HG2 PRO A 18 4.796 5.634 3.537 1.00 0.00 H +ATOM 276 HG3 PRO A 18 4.929 4.279 4.636 1.00 0.00 H +ATOM 277 HD2 PRO A 18 6.488 4.461 2.417 1.00 0.00 H +ATOM 278 HD3 PRO A 18 5.884 2.880 2.982 1.00 0.00 H +ATOM 279 N PRO A 19 1.704 5.254 0.376 1.00 0.00 N +ATOM 280 CA PRO A 19 1.131 6.433 -0.268 1.00 0.00 C +ATOM 281 C PRO A 19 0.578 7.422 0.772 1.00 0.00 C +ATOM 282 O PRO A 19 -0.096 7.022 1.725 1.00 0.00 O +ATOM 283 CB PRO A 19 0.032 5.878 -1.180 1.00 0.00 C +ATOM 284 CG PRO A 19 -0.464 4.639 -0.433 1.00 0.00 C +ATOM 285 CD PRO A 19 0.792 4.121 0.270 1.00 0.00 C +ATOM 286 HA PRO A 19 1.886 6.934 -0.875 1.00 0.00 H +ATOM 287 HB2 PRO A 19 -0.759 6.592 -1.305 1.00 0.00 H +ATOM 288 HB3 PRO A 19 0.474 5.572 -2.129 1.00 0.00 H +ATOM 289 HG2 PRO A 19 -1.223 4.899 0.279 1.00 0.00 H +ATOM 290 HG3 PRO A 19 -0.879 3.897 -1.115 1.00 0.00 H +ATOM 291 HD2 PRO A 19 0.545 3.752 1.247 1.00 0.00 H +ATOM 292 HD3 PRO A 19 1.257 3.344 -0.337 1.00 0.00 H +ATOM 293 N SER A 20 0.825 8.716 0.549 1.00 0.00 N +ATOM 294 CA SER A 20 0.360 9.847 1.362 1.00 0.00 C +ATOM 295 C SER A 20 -0.255 10.948 0.496 1.00 0.00 C +ATOM 296 O SER A 20 0.173 11.092 -0.672 1.00 0.00 O +ATOM 297 CB SER A 20 1.496 10.383 2.241 1.00 0.00 C +ATOM 298 OG SER A 20 2.667 10.641 1.485 1.00 0.00 O +ATOM 299 OXT SER A 20 -1.188 11.592 1.023 1.00 0.00 O +ATOM 300 H SER A 20 1.372 9.005 -0.251 1.00 0.00 H +ATOM 301 HA SER A 20 -0.439 9.514 2.020 1.00 0.00 H +ATOM 302 HB2 SER A 20 1.175 11.295 2.707 1.00 0.00 H +ATOM 303 HB3 SER A 20 1.726 9.639 3.008 1.00 0.00 H +ATOM 304 HG SER A 20 3.313 11.084 2.036 1.00 0.00 H +TER 305 SER A 20 +ENDMDL +MODEL 32 +ATOM 1 N ASN A 1 -6.852 6.802 0.784 1.00 0.00 N +ATOM 2 CA ASN A 1 -7.569 5.905 -0.155 1.00 0.00 C +ATOM 3 C ASN A 1 -6.675 4.784 -0.685 1.00 0.00 C +ATOM 4 O ASN A 1 -6.907 3.637 -0.312 1.00 0.00 O +ATOM 5 CB ASN A 1 -8.306 6.688 -1.259 1.00 0.00 C +ATOM 6 CG ASN A 1 -9.658 7.144 -0.720 1.00 0.00 C +ATOM 7 OD1 ASN A 1 -10.402 6.342 -0.185 1.00 0.00 O +ATOM 8 ND2 ASN A 1 -9.997 8.418 -0.771 1.00 0.00 N +ATOM 9 H1 ASN A 1 -6.406 6.262 1.512 1.00 0.00 H +ATOM 10 H2 ASN A 1 -6.150 7.342 0.294 1.00 0.00 H +ATOM 11 H3 ASN A 1 -7.507 7.441 1.214 1.00 0.00 H +ATOM 12 HA ASN A 1 -8.341 5.383 0.416 1.00 0.00 H +ATOM 13 HB2 ASN A 1 -7.724 7.543 -1.544 1.00 0.00 H +ATOM 14 HB3 ASN A 1 -8.496 6.032 -2.110 1.00 0.00 H +ATOM 15 HD21 ASN A 1 -9.452 9.144 -1.207 1.00 0.00 H +ATOM 16 HD22 ASN A 1 -10.916 8.601 -0.396 1.00 0.00 H +ATOM 17 N LEU A 2 -5.641 5.081 -1.489 1.00 0.00 N +ATOM 18 CA LEU A 2 -4.771 4.070 -2.118 1.00 0.00 C +ATOM 19 C LEU A 2 -4.066 3.118 -1.122 1.00 0.00 C +ATOM 20 O LEU A 2 -3.610 2.044 -1.507 1.00 0.00 O +ATOM 21 CB LEU A 2 -3.736 4.788 -3.009 1.00 0.00 C +ATOM 22 CG LEU A 2 -3.207 3.896 -4.155 1.00 0.00 C +ATOM 23 CD1 LEU A 2 -4.121 3.970 -5.385 1.00 0.00 C +ATOM 24 CD2 LEU A 2 -1.783 4.286 -4.551 1.00 0.00 C +ATOM 25 H LEU A 2 -5.488 6.032 -1.793 1.00 0.00 H +ATOM 26 HA LEU A 2 -5.401 3.449 -2.761 1.00 0.00 H +ATOM 27 HB2 LEU A 2 -4.197 5.657 -3.437 1.00 0.00 H +ATOM 28 HB3 LEU A 2 -2.911 5.107 -2.379 1.00 0.00 H +ATOM 29 HG LEU A 2 -3.172 2.861 -3.826 1.00 0.00 H +ATOM 30 HD11 LEU A 2 -5.104 4.362 -5.124 1.00 0.00 H +ATOM 31 HD12 LEU A 2 -3.683 4.602 -6.157 1.00 0.00 H +ATOM 32 HD13 LEU A 2 -4.253 2.966 -5.790 1.00 0.00 H +ATOM 33 HD21 LEU A 2 -1.718 5.358 -4.736 1.00 0.00 H +ATOM 34 HD22 LEU A 2 -1.099 4.008 -3.752 1.00 0.00 H +ATOM 35 HD23 LEU A 2 -1.488 3.743 -5.449 1.00 0.00 H +ATOM 36 N TYR A 3 -4.017 3.470 0.169 1.00 0.00 N +ATOM 37 CA TYR A 3 -3.452 2.660 1.248 1.00 0.00 C +ATOM 38 C TYR A 3 -4.002 1.221 1.271 1.00 0.00 C +ATOM 39 O TYR A 3 -3.253 0.284 1.527 1.00 0.00 O +ATOM 40 CB TYR A 3 -3.690 3.373 2.590 1.00 0.00 C +ATOM 41 CG TYR A 3 -2.578 3.161 3.597 1.00 0.00 C +ATOM 42 CD1 TYR A 3 -2.514 1.966 4.339 1.00 0.00 C +ATOM 43 CD2 TYR A 3 -1.601 4.161 3.787 1.00 0.00 C +ATOM 44 CE1 TYR A 3 -1.479 1.768 5.270 1.00 0.00 C +ATOM 45 CE2 TYR A 3 -0.567 3.969 4.722 1.00 0.00 C +ATOM 46 CZ TYR A 3 -0.503 2.769 5.464 1.00 0.00 C +ATOM 47 OH TYR A 3 0.485 2.574 6.378 1.00 0.00 O +ATOM 48 H TYR A 3 -4.399 4.368 0.410 1.00 0.00 H +ATOM 49 HA TYR A 3 -2.376 2.600 1.088 1.00 0.00 H +ATOM 50 HB2 TYR A 3 -3.782 4.426 2.403 1.00 0.00 H +ATOM 51 HB3 TYR A 3 -4.635 3.037 3.021 1.00 0.00 H +ATOM 52 HD1 TYR A 3 -3.259 1.196 4.191 1.00 0.00 H +ATOM 53 HD2 TYR A 3 -1.635 5.081 3.217 1.00 0.00 H +ATOM 54 HE1 TYR A 3 -1.416 0.856 5.843 1.00 0.00 H +ATOM 55 HE2 TYR A 3 0.180 4.734 4.872 1.00 0.00 H +ATOM 56 HH TYR A 3 0.286 3.012 7.208 1.00 0.00 H +ATOM 57 N ILE A 4 -5.291 1.031 0.946 1.00 0.00 N +ATOM 58 CA ILE A 4 -5.931 -0.293 0.853 1.00 0.00 C +ATOM 59 C ILE A 4 -5.280 -1.132 -0.262 1.00 0.00 C +ATOM 60 O ILE A 4 -4.975 -2.308 -0.057 1.00 0.00 O +ATOM 61 CB ILE A 4 -7.452 -0.139 0.612 1.00 0.00 C +ATOM 62 CG1 ILE A 4 -8.150 0.694 1.716 1.00 0.00 C +ATOM 63 CG2 ILE A 4 -8.133 -1.519 0.519 1.00 0.00 C +ATOM 64 CD1 ILE A 4 -9.405 1.406 1.195 1.00 0.00 C +ATOM 65 H ILE A 4 -5.843 1.851 0.722 1.00 0.00 H +ATOM 66 HA ILE A 4 -5.780 -0.822 1.794 1.00 0.00 H +ATOM 67 HB ILE A 4 -7.585 0.372 -0.343 1.00 0.00 H +ATOM 68 HG12 ILE A 4 -8.432 0.039 2.518 1.00 0.00 H +ATOM 69 HG13 ILE A 4 -7.485 1.468 2.099 1.00 0.00 H +ATOM 70 HG21 ILE A 4 -7.763 -2.077 -0.343 1.00 0.00 H +ATOM 71 HG22 ILE A 4 -7.934 -2.097 1.423 1.00 0.00 H +ATOM 72 HG23 ILE A 4 -9.211 -1.406 0.405 1.00 0.00 H +ATOM 73 HD11 ILE A 4 -9.143 2.050 0.354 1.00 0.00 H +ATOM 74 HD12 ILE A 4 -10.152 0.681 0.875 1.00 0.00 H +ATOM 75 HD13 ILE A 4 -9.826 2.022 1.989 1.00 0.00 H +ATOM 76 N GLN A 5 -5.043 -0.527 -1.433 1.00 0.00 N +ATOM 77 CA GLN A 5 -4.319 -1.165 -2.532 1.00 0.00 C +ATOM 78 C GLN A 5 -2.856 -1.426 -2.147 1.00 0.00 C +ATOM 79 O GLN A 5 -2.382 -2.537 -2.342 1.00 0.00 O +ATOM 80 CB GLN A 5 -4.432 -0.330 -3.822 1.00 0.00 C +ATOM 81 CG GLN A 5 -5.812 -0.453 -4.498 1.00 0.00 C +ATOM 82 CD GLN A 5 -6.574 0.869 -4.544 1.00 0.00 C +ATOM 83 OE1 GLN A 5 -6.511 1.619 -5.500 1.00 0.00 O +ATOM 84 NE2 GLN A 5 -7.337 1.205 -3.520 1.00 0.00 N +ATOM 85 H GLN A 5 -5.183 0.474 -1.483 1.00 0.00 H +ATOM 86 HA GLN A 5 -4.763 -2.143 -2.723 1.00 0.00 H +ATOM 87 HB2 GLN A 5 -4.261 0.701 -3.579 1.00 0.00 H +ATOM 88 HB3 GLN A 5 -3.682 -0.687 -4.528 1.00 0.00 H +ATOM 89 HG2 GLN A 5 -5.671 -0.801 -5.503 1.00 0.00 H +ATOM 90 HG3 GLN A 5 -6.424 -1.202 -3.994 1.00 0.00 H +ATOM 91 HE21 GLN A 5 -7.488 0.604 -2.731 1.00 0.00 H +ATOM 92 HE22 GLN A 5 -7.851 2.055 -3.678 1.00 0.00 H +ATOM 93 N TRP A 6 -2.161 -0.464 -1.529 1.00 0.00 N +ATOM 94 CA TRP A 6 -0.783 -0.667 -1.057 1.00 0.00 C +ATOM 95 C TRP A 6 -0.645 -1.797 -0.021 1.00 0.00 C +ATOM 96 O TRP A 6 0.314 -2.570 -0.062 1.00 0.00 O +ATOM 97 CB TRP A 6 -0.249 0.652 -0.495 1.00 0.00 C +ATOM 98 CG TRP A 6 1.135 0.570 0.072 1.00 0.00 C +ATOM 99 CD1 TRP A 6 2.275 0.562 -0.652 1.00 0.00 C +ATOM 100 CD2 TRP A 6 1.545 0.458 1.469 1.00 0.00 C +ATOM 101 NE1 TRP A 6 3.360 0.439 0.197 1.00 0.00 N +ATOM 102 CE2 TRP A 6 2.968 0.390 1.513 1.00 0.00 C +ATOM 103 CE3 TRP A 6 0.867 0.423 2.708 1.00 0.00 C +ATOM 104 CZ2 TRP A 6 3.691 0.320 2.711 1.00 0.00 C +ATOM 105 CZ3 TRP A 6 1.580 0.342 3.919 1.00 0.00 C +ATOM 106 CH2 TRP A 6 2.987 0.304 3.924 1.00 0.00 C +ATOM 107 H TRP A 6 -2.607 0.442 -1.410 1.00 0.00 H +ATOM 108 HA TRP A 6 -0.164 -0.953 -1.911 1.00 0.00 H +ATOM 109 HB2 TRP A 6 -0.245 1.376 -1.287 1.00 0.00 H +ATOM 110 HB3 TRP A 6 -0.917 0.998 0.291 1.00 0.00 H +ATOM 111 HD1 TRP A 6 2.321 0.634 -1.731 1.00 0.00 H +ATOM 112 HE1 TRP A 6 4.338 0.431 -0.094 1.00 0.00 H +ATOM 113 HE3 TRP A 6 -0.213 0.476 2.719 1.00 0.00 H +ATOM 114 HZ2 TRP A 6 4.771 0.289 2.684 1.00 0.00 H +ATOM 115 HZ3 TRP A 6 1.047 0.329 4.859 1.00 0.00 H +ATOM 116 HH2 TRP A 6 3.522 0.272 4.860 1.00 0.00 H +ATOM 117 N LEU A 7 -1.613 -1.946 0.894 1.00 0.00 N +ATOM 118 CA LEU A 7 -1.654 -3.093 1.806 1.00 0.00 C +ATOM 119 C LEU A 7 -1.835 -4.426 1.058 1.00 0.00 C +ATOM 120 O LEU A 7 -1.246 -5.420 1.478 1.00 0.00 O +ATOM 121 CB LEU A 7 -2.752 -2.898 2.866 1.00 0.00 C +ATOM 122 CG LEU A 7 -2.416 -1.848 3.943 1.00 0.00 C +ATOM 123 CD1 LEU A 7 -3.648 -1.629 4.827 1.00 0.00 C +ATOM 124 CD2 LEU A 7 -1.246 -2.272 4.838 1.00 0.00 C +ATOM 125 H LEU A 7 -2.340 -1.237 0.952 1.00 0.00 H +ATOM 126 HA LEU A 7 -0.691 -3.164 2.309 1.00 0.00 H +ATOM 127 HB2 LEU A 7 -3.651 -2.591 2.366 1.00 0.00 H +ATOM 128 HB3 LEU A 7 -2.928 -3.852 3.365 1.00 0.00 H +ATOM 129 HG LEU A 7 -2.156 -0.903 3.474 1.00 0.00 H +ATOM 130 HD11 LEU A 7 -4.482 -1.286 4.215 1.00 0.00 H +ATOM 131 HD12 LEU A 7 -3.923 -2.562 5.321 1.00 0.00 H +ATOM 132 HD13 LEU A 7 -3.435 -0.875 5.585 1.00 0.00 H +ATOM 133 HD21 LEU A 7 -1.429 -3.262 5.255 1.00 0.00 H +ATOM 134 HD22 LEU A 7 -0.321 -2.286 4.263 1.00 0.00 H +ATOM 135 HD23 LEU A 7 -1.123 -1.560 5.652 1.00 0.00 H +ATOM 136 N LYS A 8 -2.573 -4.450 -0.065 1.00 0.00 N +ATOM 137 CA LYS A 8 -2.753 -5.637 -0.920 1.00 0.00 C +ATOM 138 C LYS A 8 -1.423 -6.194 -1.444 1.00 0.00 C +ATOM 139 O LYS A 8 -1.285 -7.410 -1.532 1.00 0.00 O +ATOM 140 CB LYS A 8 -3.680 -5.295 -2.099 1.00 0.00 C +ATOM 141 CG LYS A 8 -4.298 -6.504 -2.814 1.00 0.00 C +ATOM 142 CD LYS A 8 -5.536 -7.065 -2.098 1.00 0.00 C +ATOM 143 CE LYS A 8 -6.303 -8.006 -3.036 1.00 0.00 C +ATOM 144 NZ LYS A 8 -7.007 -7.254 -4.106 1.00 0.00 N +ATOM 145 H LYS A 8 -2.995 -3.577 -0.362 1.00 0.00 H +ATOM 146 HA LYS A 8 -3.211 -6.421 -0.316 1.00 0.00 H +ATOM 147 HB2 LYS A 8 -4.480 -4.685 -1.727 1.00 0.00 H +ATOM 148 HB3 LYS A 8 -3.094 -4.770 -2.849 1.00 0.00 H +ATOM 149 HG2 LYS A 8 -4.583 -6.205 -3.804 1.00 0.00 H +ATOM 150 HG3 LYS A 8 -3.557 -7.296 -2.934 1.00 0.00 H +ATOM 151 HD2 LYS A 8 -5.227 -7.608 -1.225 1.00 0.00 H +ATOM 152 HD3 LYS A 8 -6.190 -6.253 -1.779 1.00 0.00 H +ATOM 153 HE2 LYS A 8 -5.610 -8.689 -3.488 1.00 0.00 H +ATOM 154 HE3 LYS A 8 -7.027 -8.580 -2.453 1.00 0.00 H +ATOM 155 HZ1 LYS A 8 -7.790 -6.744 -3.720 1.00 0.00 H +ATOM 156 HZ2 LYS A 8 -6.372 -6.589 -4.533 1.00 0.00 H +ATOM 157 HZ3 LYS A 8 -7.345 -7.883 -4.822 1.00 0.00 H +ATOM 158 N ASP A 9 -0.447 -5.329 -1.753 1.00 0.00 N +ATOM 159 CA ASP A 9 0.910 -5.749 -2.133 1.00 0.00 C +ATOM 160 C ASP A 9 1.670 -6.459 -0.990 1.00 0.00 C +ATOM 161 O ASP A 9 2.622 -7.186 -1.270 1.00 0.00 O +ATOM 162 CB ASP A 9 1.736 -4.535 -2.594 1.00 0.00 C +ATOM 163 CG ASP A 9 1.220 -3.854 -3.861 1.00 0.00 C +ATOM 164 OD1 ASP A 9 1.591 -4.337 -4.953 1.00 0.00 O +ATOM 165 OD2 ASP A 9 0.541 -2.814 -3.721 1.00 0.00 O +ATOM 166 H ASP A 9 -0.655 -4.337 -1.719 1.00 0.00 H +ATOM 167 HA ASP A 9 0.844 -6.450 -2.966 1.00 0.00 H +ATOM 168 HB2 ASP A 9 1.736 -3.811 -1.802 1.00 0.00 H +ATOM 169 HB3 ASP A 9 2.749 -4.874 -2.808 1.00 0.00 H +ATOM 170 N GLY A 10 1.257 -6.258 0.274 1.00 0.00 N +ATOM 171 CA GLY A 10 1.961 -6.712 1.480 1.00 0.00 C +ATOM 172 C GLY A 10 2.411 -5.586 2.425 1.00 0.00 C +ATOM 173 O GLY A 10 3.160 -5.849 3.367 1.00 0.00 O +ATOM 174 H GLY A 10 0.383 -5.760 0.408 1.00 0.00 H +ATOM 175 HA2 GLY A 10 1.304 -7.377 2.037 1.00 0.00 H +ATOM 176 HA3 GLY A 10 2.850 -7.277 1.196 1.00 0.00 H +ATOM 177 N GLY A 11 2.008 -4.326 2.183 1.00 0.00 N +ATOM 178 CA GLY A 11 2.450 -3.174 2.973 1.00 0.00 C +ATOM 179 C GLY A 11 3.980 -2.984 2.932 1.00 0.00 C +ATOM 180 O GLY A 11 4.559 -3.040 1.839 1.00 0.00 O +ATOM 181 H GLY A 11 1.456 -4.151 1.354 1.00 0.00 H +ATOM 182 HA2 GLY A 11 1.984 -2.274 2.571 1.00 0.00 H +ATOM 183 HA3 GLY A 11 2.101 -3.314 3.994 1.00 0.00 H +ATOM 184 N PRO A 12 4.665 -2.766 4.078 1.00 0.00 N +ATOM 185 CA PRO A 12 6.116 -2.537 4.125 1.00 0.00 C +ATOM 186 C PRO A 12 6.959 -3.639 3.466 1.00 0.00 C +ATOM 187 O PRO A 12 8.019 -3.357 2.912 1.00 0.00 O +ATOM 188 CB PRO A 12 6.477 -2.417 5.612 1.00 0.00 C +ATOM 189 CG PRO A 12 5.164 -2.042 6.293 1.00 0.00 C +ATOM 190 CD PRO A 12 4.110 -2.726 5.425 1.00 0.00 C +ATOM 191 HA PRO A 12 6.331 -1.590 3.630 1.00 0.00 H +ATOM 192 HB2 PRO A 12 6.847 -3.351 5.989 1.00 0.00 H +ATOM 193 HB3 PRO A 12 7.243 -1.658 5.777 1.00 0.00 H +ATOM 194 HG2 PRO A 12 5.133 -2.413 7.299 1.00 0.00 H +ATOM 195 HG3 PRO A 12 5.028 -0.961 6.254 1.00 0.00 H +ATOM 196 HD2 PRO A 12 3.922 -3.721 5.781 1.00 0.00 H +ATOM 197 HD3 PRO A 12 3.178 -2.162 5.468 1.00 0.00 H +ATOM 198 N SER A 13 6.486 -4.890 3.490 1.00 0.00 N +ATOM 199 CA SER A 13 7.202 -6.073 2.992 1.00 0.00 C +ATOM 200 C SER A 13 7.143 -6.241 1.464 1.00 0.00 C +ATOM 201 O SER A 13 7.476 -7.309 0.957 1.00 0.00 O +ATOM 202 CB SER A 13 6.669 -7.320 3.710 1.00 0.00 C +ATOM 203 OG SER A 13 6.903 -7.208 5.102 1.00 0.00 O +ATOM 204 H SER A 13 5.586 -5.054 3.924 1.00 0.00 H +ATOM 205 HA SER A 13 8.256 -5.969 3.247 1.00 0.00 H +ATOM 206 HB2 SER A 13 5.615 -7.410 3.532 1.00 0.00 H +ATOM 207 HB3 SER A 13 7.175 -8.210 3.337 1.00 0.00 H +ATOM 208 HG SER A 13 7.852 -7.195 5.257 1.00 0.00 H +ATOM 209 N SER A 14 6.739 -5.198 0.725 1.00 0.00 N +ATOM 210 CA SER A 14 6.405 -5.266 -0.708 1.00 0.00 C +ATOM 211 C SER A 14 7.371 -4.503 -1.623 1.00 0.00 C +ATOM 212 O SER A 14 7.116 -4.406 -2.826 1.00 0.00 O +ATOM 213 CB SER A 14 4.983 -4.759 -0.973 1.00 0.00 C +ATOM 214 OG SER A 14 4.134 -4.862 0.138 1.00 0.00 O +ATOM 215 H SER A 14 6.478 -4.368 1.241 1.00 0.00 H +ATOM 216 HA SER A 14 6.427 -6.311 -1.020 1.00 0.00 H +ATOM 217 HB2 SER A 14 5.039 -3.727 -1.263 1.00 0.00 H +ATOM 218 HB3 SER A 14 4.571 -5.340 -1.796 1.00 0.00 H +ATOM 219 HG SER A 14 4.313 -4.115 0.764 1.00 0.00 H +ATOM 220 N GLY A 15 8.442 -3.922 -1.059 1.00 0.00 N +ATOM 221 CA GLY A 15 9.474 -3.182 -1.792 1.00 0.00 C +ATOM 222 C GLY A 15 9.029 -1.817 -2.334 1.00 0.00 C +ATOM 223 O GLY A 15 9.636 -1.322 -3.282 1.00 0.00 O +ATOM 224 H GLY A 15 8.567 -4.078 -0.067 1.00 0.00 H +ATOM 225 HA2 GLY A 15 10.326 -3.018 -1.132 1.00 0.00 H +ATOM 226 HA3 GLY A 15 9.816 -3.786 -2.634 1.00 0.00 H +ATOM 227 N ARG A 16 7.971 -1.217 -1.769 1.00 0.00 N +ATOM 228 CA ARG A 16 7.354 0.032 -2.244 1.00 0.00 C +ATOM 229 C ARG A 16 6.844 0.894 -1.071 1.00 0.00 C +ATOM 230 O ARG A 16 6.204 0.347 -0.168 1.00 0.00 O +ATOM 231 CB ARG A 16 6.234 -0.313 -3.248 1.00 0.00 C +ATOM 232 CG ARG A 16 5.064 -1.085 -2.611 1.00 0.00 C +ATOM 233 CD ARG A 16 4.139 -1.794 -3.605 1.00 0.00 C +ATOM 234 NE ARG A 16 4.801 -2.956 -4.225 1.00 0.00 N +ATOM 235 CZ ARG A 16 5.278 -3.071 -5.455 1.00 0.00 C +ATOM 236 NH1 ARG A 16 5.210 -2.093 -6.329 1.00 0.00 N +ATOM 237 NH2 ARG A 16 5.864 -4.186 -5.822 1.00 0.00 N +ATOM 238 H ARG A 16 7.549 -1.675 -0.973 1.00 0.00 H +ATOM 239 HA ARG A 16 8.120 0.589 -2.783 1.00 0.00 H +ATOM 240 HB2 ARG A 16 5.854 0.601 -3.662 1.00 0.00 H +ATOM 241 HB3 ARG A 16 6.672 -0.909 -4.049 1.00 0.00 H +ATOM 242 HG2 ARG A 16 5.474 -1.825 -1.951 1.00 0.00 H +ATOM 243 HG3 ARG A 16 4.465 -0.382 -2.044 1.00 0.00 H +ATOM 244 HD2 ARG A 16 3.261 -2.128 -3.087 1.00 0.00 H +ATOM 245 HD3 ARG A 16 3.785 -1.084 -4.353 1.00 0.00 H +ATOM 246 HE ARG A 16 4.929 -3.770 -3.646 1.00 0.00 H +ATOM 247 HH11 ARG A 16 4.742 -1.252 -6.044 1.00 0.00 H +ATOM 248 HH12 ARG A 16 5.588 -2.189 -7.251 1.00 0.00 H +ATOM 249 HH21 ARG A 16 5.998 -4.910 -5.134 1.00 0.00 H +ATOM 250 HH22 ARG A 16 6.200 -4.304 -6.756 1.00 0.00 H +ATOM 251 N PRO A 17 7.087 2.220 -1.065 1.00 0.00 N +ATOM 252 CA PRO A 17 6.655 3.106 0.019 1.00 0.00 C +ATOM 253 C PRO A 17 5.123 3.267 0.052 1.00 0.00 C +ATOM 254 O PRO A 17 4.470 3.043 -0.971 1.00 0.00 O +ATOM 255 CB PRO A 17 7.355 4.442 -0.256 1.00 0.00 C +ATOM 256 CG PRO A 17 7.509 4.455 -1.776 1.00 0.00 C +ATOM 257 CD PRO A 17 7.758 2.986 -2.109 1.00 0.00 C +ATOM 258 HA PRO A 17 6.997 2.705 0.974 1.00 0.00 H +ATOM 259 HB2 PRO A 17 6.753 5.266 0.076 1.00 0.00 H +ATOM 260 HB3 PRO A 17 8.342 4.438 0.209 1.00 0.00 H +ATOM 261 HG2 PRO A 17 6.616 4.812 -2.251 1.00 0.00 H +ATOM 262 HG3 PRO A 17 8.338 5.087 -2.096 1.00 0.00 H +ATOM 263 HD2 PRO A 17 7.347 2.746 -3.071 1.00 0.00 H +ATOM 264 HD3 PRO A 17 8.828 2.777 -2.079 1.00 0.00 H +ATOM 265 N PRO A 18 4.537 3.673 1.196 1.00 0.00 N +ATOM 266 CA PRO A 18 3.102 3.903 1.304 1.00 0.00 C +ATOM 267 C PRO A 18 2.667 5.149 0.509 1.00 0.00 C +ATOM 268 O PRO A 18 3.454 6.085 0.353 1.00 0.00 O +ATOM 269 CB PRO A 18 2.819 4.069 2.799 1.00 0.00 C +ATOM 270 CG PRO A 18 4.134 4.621 3.345 1.00 0.00 C +ATOM 271 CD PRO A 18 5.189 3.944 2.471 1.00 0.00 C +ATOM 272 HA PRO A 18 2.575 3.028 0.934 1.00 0.00 H +ATOM 273 HB2 PRO A 18 2.014 4.759 2.964 1.00 0.00 H +ATOM 274 HB3 PRO A 18 2.618 3.095 3.244 1.00 0.00 H +ATOM 275 HG2 PRO A 18 4.176 5.688 3.241 1.00 0.00 H +ATOM 276 HG3 PRO A 18 4.266 4.380 4.399 1.00 0.00 H +ATOM 277 HD2 PRO A 18 6.030 4.595 2.329 1.00 0.00 H +ATOM 278 HD3 PRO A 18 5.495 3.002 2.927 1.00 0.00 H +ATOM 279 N PRO A 19 1.416 5.184 0.020 1.00 0.00 N +ATOM 280 CA PRO A 19 0.856 6.338 -0.670 1.00 0.00 C +ATOM 281 C PRO A 19 0.274 7.370 0.308 1.00 0.00 C +ATOM 282 O PRO A 19 -0.285 7.006 1.346 1.00 0.00 O +ATOM 283 CB PRO A 19 -0.241 5.744 -1.552 1.00 0.00 C +ATOM 284 CG PRO A 19 -0.772 4.583 -0.706 1.00 0.00 C +ATOM 285 CD PRO A 19 0.476 4.073 0.003 1.00 0.00 C +ATOM 286 HA PRO A 19 1.613 6.813 -1.296 1.00 0.00 H +ATOM 287 HB2 PRO A 19 -1.012 6.464 -1.746 1.00 0.00 H +ATOM 288 HB3 PRO A 19 0.214 5.358 -2.465 1.00 0.00 H +ATOM 289 HG2 PRO A 19 -1.504 4.924 0.000 1.00 0.00 H +ATOM 290 HG3 PRO A 19 -1.221 3.803 -1.320 1.00 0.00 H +ATOM 291 HD2 PRO A 19 0.238 3.772 1.005 1.00 0.00 H +ATOM 292 HD3 PRO A 19 0.911 3.257 -0.574 1.00 0.00 H +ATOM 293 N SER A 20 0.317 8.642 -0.115 1.00 0.00 N +ATOM 294 CA SER A 20 -0.113 9.835 0.640 1.00 0.00 C +ATOM 295 C SER A 20 0.639 10.031 1.968 1.00 0.00 C +ATOM 296 O SER A 20 0.066 10.720 2.840 1.00 0.00 O +ATOM 297 CB SER A 20 -1.636 9.826 0.849 1.00 0.00 C +ATOM 298 OG SER A 20 -2.305 9.711 -0.395 1.00 0.00 O +ATOM 299 OXT SER A 20 1.796 9.565 2.056 1.00 0.00 O +ATOM 300 H SER A 20 0.838 8.806 -0.960 1.00 0.00 H +ATOM 301 HA SER A 20 0.140 10.716 0.055 1.00 0.00 H +ATOM 302 HB2 SER A 20 -1.902 8.994 1.472 1.00 0.00 H +ATOM 303 HB3 SER A 20 -1.934 10.755 1.339 1.00 0.00 H +ATOM 304 HG SER A 20 -1.851 10.287 -1.014 1.00 0.00 H +TER 305 SER A 20 +ENDMDL +MODEL 33 +ATOM 1 N ASN A 1 -9.696 2.810 -1.214 1.00 0.00 N +ATOM 2 CA ASN A 1 -8.702 3.862 -0.904 1.00 0.00 C +ATOM 3 C ASN A 1 -7.320 3.416 -1.392 1.00 0.00 C +ATOM 4 O ASN A 1 -7.058 2.216 -1.401 1.00 0.00 O +ATOM 5 CB ASN A 1 -8.682 4.180 0.603 1.00 0.00 C +ATOM 6 CG ASN A 1 -7.901 5.460 0.875 1.00 0.00 C +ATOM 7 OD1 ASN A 1 -6.683 5.431 0.961 1.00 0.00 O +ATOM 8 ND2 ASN A 1 -8.563 6.601 0.949 1.00 0.00 N +ATOM 9 H1 ASN A 1 -9.798 2.712 -2.215 1.00 0.00 H +ATOM 10 H2 ASN A 1 -9.371 1.928 -0.840 1.00 0.00 H +ATOM 11 H3 ASN A 1 -10.593 3.041 -0.806 1.00 0.00 H +ATOM 12 HA ASN A 1 -8.978 4.770 -1.442 1.00 0.00 H +ATOM 13 HB2 ASN A 1 -9.690 4.302 0.950 1.00 0.00 H +ATOM 14 HB3 ASN A 1 -8.208 3.365 1.150 1.00 0.00 H +ATOM 15 HD21 ASN A 1 -9.568 6.669 0.919 1.00 0.00 H +ATOM 16 HD22 ASN A 1 -7.997 7.418 1.129 1.00 0.00 H +ATOM 17 N LEU A 2 -6.450 4.362 -1.773 1.00 0.00 N +ATOM 18 CA LEU A 2 -5.070 4.110 -2.206 1.00 0.00 C +ATOM 19 C LEU A 2 -4.261 3.274 -1.198 1.00 0.00 C +ATOM 20 O LEU A 2 -3.535 2.363 -1.600 1.00 0.00 O +ATOM 21 CB LEU A 2 -4.351 5.440 -2.547 1.00 0.00 C +ATOM 22 CG LEU A 2 -4.514 6.597 -1.528 1.00 0.00 C +ATOM 23 CD1 LEU A 2 -3.229 7.411 -1.372 1.00 0.00 C +ATOM 24 CD2 LEU A 2 -5.623 7.572 -1.951 1.00 0.00 C +ATOM 25 H LEU A 2 -6.706 5.331 -1.654 1.00 0.00 H +ATOM 26 HA LEU A 2 -5.109 3.519 -3.122 1.00 0.00 H +ATOM 27 HB2 LEU A 2 -3.303 5.230 -2.636 1.00 0.00 H +ATOM 28 HB3 LEU A 2 -4.699 5.782 -3.523 1.00 0.00 H +ATOM 29 HG LEU A 2 -4.759 6.191 -0.552 1.00 0.00 H +ATOM 30 HD11 LEU A 2 -2.500 6.830 -0.816 1.00 0.00 H +ATOM 31 HD12 LEU A 2 -2.824 7.681 -2.347 1.00 0.00 H +ATOM 32 HD13 LEU A 2 -3.422 8.320 -0.800 1.00 0.00 H +ATOM 33 HD21 LEU A 2 -5.295 8.148 -2.819 1.00 0.00 H +ATOM 34 HD22 LEU A 2 -6.539 7.048 -2.209 1.00 0.00 H +ATOM 35 HD23 LEU A 2 -5.828 8.260 -1.132 1.00 0.00 H +ATOM 36 N TYR A 3 -4.415 3.532 0.107 1.00 0.00 N +ATOM 37 CA TYR A 3 -3.672 2.802 1.139 1.00 0.00 C +ATOM 38 C TYR A 3 -4.041 1.307 1.188 1.00 0.00 C +ATOM 39 O TYR A 3 -3.171 0.461 1.386 1.00 0.00 O +ATOM 40 CB TYR A 3 -3.879 3.480 2.497 1.00 0.00 C +ATOM 41 CG TYR A 3 -2.767 3.185 3.485 1.00 0.00 C +ATOM 42 CD1 TYR A 3 -2.814 2.034 4.294 1.00 0.00 C +ATOM 43 CD2 TYR A 3 -1.673 4.066 3.584 1.00 0.00 C +ATOM 44 CE1 TYR A 3 -1.769 1.770 5.202 1.00 0.00 C +ATOM 45 CE2 TYR A 3 -0.633 3.814 4.497 1.00 0.00 C +ATOM 46 CZ TYR A 3 -0.678 2.659 5.305 1.00 0.00 C +ATOM 47 OH TYR A 3 0.328 2.397 6.181 1.00 0.00 O +ATOM 48 H TYR A 3 -5.030 4.292 0.388 1.00 0.00 H +ATOM 49 HA TYR A 3 -2.611 2.866 0.893 1.00 0.00 H +ATOM 50 HB2 TYR A 3 -3.928 4.541 2.345 1.00 0.00 H +ATOM 51 HB3 TYR A 3 -4.839 3.176 2.920 1.00 0.00 H +ATOM 52 HD1 TYR A 3 -3.646 1.348 4.217 1.00 0.00 H +ATOM 53 HD2 TYR A 3 -1.623 4.947 2.966 1.00 0.00 H +ATOM 54 HE1 TYR A 3 -1.786 0.898 5.835 1.00 0.00 H +ATOM 55 HE2 TYR A 3 0.183 4.517 4.582 1.00 0.00 H +ATOM 56 HH TYR A 3 1.000 3.080 6.149 1.00 0.00 H +ATOM 57 N ILE A 4 -5.317 0.964 0.945 1.00 0.00 N +ATOM 58 CA ILE A 4 -5.797 -0.427 0.890 1.00 0.00 C +ATOM 59 C ILE A 4 -5.106 -1.182 -0.260 1.00 0.00 C +ATOM 60 O ILE A 4 -4.649 -2.312 -0.079 1.00 0.00 O +ATOM 61 CB ILE A 4 -7.343 -0.481 0.776 1.00 0.00 C +ATOM 62 CG1 ILE A 4 -8.026 0.176 2.003 1.00 0.00 C +ATOM 63 CG2 ILE A 4 -7.809 -1.944 0.634 1.00 0.00 C +ATOM 64 CD1 ILE A 4 -9.518 0.486 1.806 1.00 0.00 C +ATOM 65 H ILE A 4 -5.958 1.710 0.720 1.00 0.00 H +ATOM 66 HA ILE A 4 -5.510 -0.925 1.817 1.00 0.00 H +ATOM 67 HB ILE A 4 -7.647 0.059 -0.122 1.00 0.00 H +ATOM 68 HG12 ILE A 4 -7.929 -0.490 2.838 1.00 0.00 H +ATOM 69 HG13 ILE A 4 -7.538 1.122 2.236 1.00 0.00 H +ATOM 70 HG21 ILE A 4 -7.478 -2.358 -0.319 1.00 0.00 H +ATOM 71 HG22 ILE A 4 -7.398 -2.547 1.445 1.00 0.00 H +ATOM 72 HG23 ILE A 4 -8.894 -2.016 0.659 1.00 0.00 H +ATOM 73 HD11 ILE A 4 -9.642 1.219 1.013 1.00 0.00 H +ATOM 74 HD12 ILE A 4 -10.080 -0.412 1.556 1.00 0.00 H +ATOM 75 HD13 ILE A 4 -9.924 0.899 2.728 1.00 0.00 H +ATOM 76 N GLN A 5 -4.987 -0.542 -1.429 1.00 0.00 N +ATOM 77 CA GLN A 5 -4.265 -1.071 -2.589 1.00 0.00 C +ATOM 78 C GLN A 5 -2.780 -1.329 -2.278 1.00 0.00 C +ATOM 79 O GLN A 5 -2.258 -2.372 -2.663 1.00 0.00 O +ATOM 80 CB GLN A 5 -4.444 -0.110 -3.783 1.00 0.00 C +ATOM 81 CG GLN A 5 -5.274 -0.705 -4.937 1.00 0.00 C +ATOM 82 CD GLN A 5 -4.406 -1.168 -6.106 1.00 0.00 C +ATOM 83 OE1 GLN A 5 -3.743 -0.382 -6.761 1.00 0.00 O +ATOM 84 NE2 GLN A 5 -4.396 -2.444 -6.437 1.00 0.00 N +ATOM 85 H GLN A 5 -5.362 0.397 -1.487 1.00 0.00 H +ATOM 86 HA GLN A 5 -4.696 -2.043 -2.836 1.00 0.00 H +ATOM 87 HB2 GLN A 5 -4.937 0.777 -3.433 1.00 0.00 H +ATOM 88 HB3 GLN A 5 -3.468 0.199 -4.159 1.00 0.00 H +ATOM 89 HG2 GLN A 5 -5.827 -1.546 -4.565 1.00 0.00 H +ATOM 90 HG3 GLN A 5 -5.939 0.070 -5.317 1.00 0.00 H +ATOM 91 HE21 GLN A 5 -4.933 -3.137 -5.951 1.00 0.00 H +ATOM 92 HE22 GLN A 5 -3.802 -2.637 -7.226 1.00 0.00 H +ATOM 93 N TRP A 6 -2.110 -0.425 -1.550 1.00 0.00 N +ATOM 94 CA TRP A 6 -0.735 -0.642 -1.083 1.00 0.00 C +ATOM 95 C TRP A 6 -0.618 -1.798 -0.074 1.00 0.00 C +ATOM 96 O TRP A 6 0.284 -2.632 -0.196 1.00 0.00 O +ATOM 97 CB TRP A 6 -0.178 0.660 -0.502 1.00 0.00 C +ATOM 98 CG TRP A 6 1.220 0.560 0.030 1.00 0.00 C +ATOM 99 CD1 TRP A 6 2.344 0.499 -0.720 1.00 0.00 C +ATOM 100 CD2 TRP A 6 1.660 0.470 1.420 1.00 0.00 C +ATOM 101 NE1 TRP A 6 3.446 0.394 0.108 1.00 0.00 N +ATOM 102 CE2 TRP A 6 3.084 0.389 1.433 1.00 0.00 C +ATOM 103 CE3 TRP A 6 1.008 0.446 2.674 1.00 0.00 C +ATOM 104 CZ2 TRP A 6 3.829 0.330 2.618 1.00 0.00 C +ATOM 105 CZ3 TRP A 6 1.746 0.354 3.871 1.00 0.00 C +ATOM 106 CH2 TRP A 6 3.152 0.312 3.847 1.00 0.00 C +ATOM 107 H TRP A 6 -2.590 0.437 -1.304 1.00 0.00 H +ATOM 108 HA TRP A 6 -0.120 -0.916 -1.942 1.00 0.00 H +ATOM 109 HB2 TRP A 6 -0.189 1.403 -1.276 1.00 0.00 H +ATOM 110 HB3 TRP A 6 -0.826 1.000 0.307 1.00 0.00 H +ATOM 111 HD1 TRP A 6 2.370 0.522 -1.801 1.00 0.00 H +ATOM 112 HE1 TRP A 6 4.422 0.342 -0.195 1.00 0.00 H +ATOM 113 HE3 TRP A 6 -0.071 0.498 2.709 1.00 0.00 H +ATOM 114 HZ2 TRP A 6 4.908 0.276 2.569 1.00 0.00 H +ATOM 115 HZ3 TRP A 6 1.228 0.327 4.819 1.00 0.00 H +ATOM 116 HH2 TRP A 6 3.709 0.259 4.771 1.00 0.00 H +ATOM 117 N LEU A 7 -1.541 -1.889 0.896 1.00 0.00 N +ATOM 118 CA LEU A 7 -1.582 -3.011 1.838 1.00 0.00 C +ATOM 119 C LEU A 7 -1.783 -4.360 1.136 1.00 0.00 C +ATOM 120 O LEU A 7 -1.117 -5.321 1.517 1.00 0.00 O +ATOM 121 CB LEU A 7 -2.666 -2.803 2.908 1.00 0.00 C +ATOM 122 CG LEU A 7 -2.354 -1.713 3.950 1.00 0.00 C +ATOM 123 CD1 LEU A 7 -3.542 -1.608 4.912 1.00 0.00 C +ATOM 124 CD2 LEU A 7 -1.090 -2.018 4.764 1.00 0.00 C +ATOM 125 H LEU A 7 -2.233 -1.146 0.975 1.00 0.00 H +ATOM 126 HA LEU A 7 -0.612 -3.079 2.329 1.00 0.00 H +ATOM 127 HB2 LEU A 7 -3.578 -2.536 2.410 1.00 0.00 H +ATOM 128 HB3 LEU A 7 -2.803 -3.746 3.442 1.00 0.00 H +ATOM 129 HG LEU A 7 -2.222 -0.755 3.451 1.00 0.00 H +ATOM 130 HD11 LEU A 7 -4.453 -1.399 4.353 1.00 0.00 H +ATOM 131 HD12 LEU A 7 -3.663 -2.544 5.458 1.00 0.00 H +ATOM 132 HD13 LEU A 7 -3.376 -0.804 5.626 1.00 0.00 H +ATOM 133 HD21 LEU A 7 -1.148 -3.021 5.187 1.00 0.00 H +ATOM 134 HD22 LEU A 7 -0.210 -1.944 4.128 1.00 0.00 H +ATOM 135 HD23 LEU A 7 -0.982 -1.297 5.571 1.00 0.00 H +ATOM 136 N LYS A 8 -2.633 -4.432 0.094 1.00 0.00 N +ATOM 137 CA LYS A 8 -2.884 -5.655 -0.692 1.00 0.00 C +ATOM 138 C LYS A 8 -1.596 -6.330 -1.179 1.00 0.00 C +ATOM 139 O LYS A 8 -1.525 -7.556 -1.201 1.00 0.00 O +ATOM 140 CB LYS A 8 -3.808 -5.329 -1.882 1.00 0.00 C +ATOM 141 CG LYS A 8 -4.241 -6.587 -2.655 1.00 0.00 C +ATOM 142 CD LYS A 8 -5.060 -6.237 -3.903 1.00 0.00 C +ATOM 143 CE LYS A 8 -5.306 -7.504 -4.738 1.00 0.00 C +ATOM 144 NZ LYS A 8 -4.559 -7.485 -6.019 1.00 0.00 N +ATOM 145 H LYS A 8 -3.173 -3.595 -0.117 1.00 0.00 H +ATOM 146 HA LYS A 8 -3.386 -6.377 -0.047 1.00 0.00 H +ATOM 147 HB2 LYS A 8 -4.685 -4.834 -1.511 1.00 0.00 H +ATOM 148 HB3 LYS A 8 -3.277 -4.670 -2.567 1.00 0.00 H +ATOM 149 HG2 LYS A 8 -3.365 -7.128 -2.956 1.00 0.00 H +ATOM 150 HG3 LYS A 8 -4.835 -7.226 -2.000 1.00 0.00 H +ATOM 151 HD2 LYS A 8 -6.002 -5.819 -3.605 1.00 0.00 H +ATOM 152 HD3 LYS A 8 -4.524 -5.490 -4.491 1.00 0.00 H +ATOM 153 HE2 LYS A 8 -4.994 -8.359 -4.169 1.00 0.00 H +ATOM 154 HE3 LYS A 8 -6.379 -7.594 -4.932 1.00 0.00 H +ATOM 155 HZ1 LYS A 8 -4.868 -6.712 -6.594 1.00 0.00 H +ATOM 156 HZ2 LYS A 8 -3.566 -7.387 -5.848 1.00 0.00 H +ATOM 157 HZ3 LYS A 8 -4.715 -8.344 -6.529 1.00 0.00 H +ATOM 158 N ASP A 9 -0.590 -5.540 -1.563 1.00 0.00 N +ATOM 159 CA ASP A 9 0.696 -6.034 -2.059 1.00 0.00 C +ATOM 160 C ASP A 9 1.604 -6.602 -0.943 1.00 0.00 C +ATOM 161 O ASP A 9 2.534 -7.350 -1.236 1.00 0.00 O +ATOM 162 CB ASP A 9 1.377 -4.885 -2.828 1.00 0.00 C +ATOM 163 CG ASP A 9 2.180 -5.390 -4.029 1.00 0.00 C +ATOM 164 OD1 ASP A 9 1.517 -5.724 -5.041 1.00 0.00 O +ATOM 165 OD2 ASP A 9 3.423 -5.398 -3.944 1.00 0.00 O +ATOM 166 H ASP A 9 -0.734 -4.540 -1.523 1.00 0.00 H +ATOM 167 HA ASP A 9 0.502 -6.844 -2.765 1.00 0.00 H +ATOM 168 HB2 ASP A 9 0.622 -4.207 -3.177 1.00 0.00 H +ATOM 169 HB3 ASP A 9 2.011 -4.308 -2.158 1.00 0.00 H +ATOM 170 N GLY A 10 1.315 -6.291 0.335 1.00 0.00 N +ATOM 171 CA GLY A 10 2.125 -6.667 1.501 1.00 0.00 C +ATOM 172 C GLY A 10 2.634 -5.488 2.350 1.00 0.00 C +ATOM 173 O GLY A 10 3.490 -5.686 3.216 1.00 0.00 O +ATOM 174 H GLY A 10 0.438 -5.808 0.503 1.00 0.00 H +ATOM 175 HA2 GLY A 10 1.519 -7.303 2.147 1.00 0.00 H +ATOM 176 HA3 GLY A 10 2.993 -7.245 1.182 1.00 0.00 H +ATOM 177 N GLY A 11 2.132 -4.266 2.113 1.00 0.00 N +ATOM 178 CA GLY A 11 2.535 -3.041 2.809 1.00 0.00 C +ATOM 179 C GLY A 11 4.061 -2.833 2.842 1.00 0.00 C +ATOM 180 O GLY A 11 4.676 -2.729 1.777 1.00 0.00 O +ATOM 181 H GLY A 11 1.459 -4.179 1.364 1.00 0.00 H +ATOM 182 HA2 GLY A 11 2.091 -2.192 2.292 1.00 0.00 H +ATOM 183 HA3 GLY A 11 2.124 -3.070 3.815 1.00 0.00 H +ATOM 184 N PRO A 12 4.716 -2.764 4.022 1.00 0.00 N +ATOM 185 CA PRO A 12 6.173 -2.628 4.110 1.00 0.00 C +ATOM 186 C PRO A 12 6.953 -3.752 3.413 1.00 0.00 C +ATOM 187 O PRO A 12 8.085 -3.532 2.985 1.00 0.00 O +ATOM 188 CB PRO A 12 6.510 -2.614 5.607 1.00 0.00 C +ATOM 189 CG PRO A 12 5.200 -2.211 6.279 1.00 0.00 C +ATOM 190 CD PRO A 12 4.136 -2.801 5.356 1.00 0.00 C +ATOM 191 HA PRO A 12 6.463 -1.674 3.669 1.00 0.00 H +ATOM 192 HB2 PRO A 12 6.824 -3.586 5.936 1.00 0.00 H +ATOM 193 HB3 PRO A 12 7.309 -1.906 5.829 1.00 0.00 H +ATOM 194 HG2 PRO A 12 5.129 -2.629 7.265 1.00 0.00 H +ATOM 195 HG3 PRO A 12 5.116 -1.124 6.289 1.00 0.00 H +ATOM 196 HD2 PRO A 12 3.912 -3.811 5.640 1.00 0.00 H +ATOM 197 HD3 PRO A 12 3.224 -2.208 5.422 1.00 0.00 H +ATOM 198 N SER A 13 6.364 -4.949 3.290 1.00 0.00 N +ATOM 199 CA SER A 13 7.032 -6.120 2.719 1.00 0.00 C +ATOM 200 C SER A 13 7.005 -6.154 1.183 1.00 0.00 C +ATOM 201 O SER A 13 7.560 -7.084 0.599 1.00 0.00 O +ATOM 202 CB SER A 13 6.426 -7.399 3.310 1.00 0.00 C +ATOM 203 OG SER A 13 7.402 -8.420 3.301 1.00 0.00 O +ATOM 204 H SER A 13 5.392 -5.053 3.575 1.00 0.00 H +ATOM 205 HA SER A 13 8.080 -6.085 3.021 1.00 0.00 H +ATOM 206 HB2 SER A 13 6.109 -7.214 4.318 1.00 0.00 H +ATOM 207 HB3 SER A 13 5.557 -7.710 2.730 1.00 0.00 H +ATOM 208 HG SER A 13 7.730 -8.506 2.397 1.00 0.00 H +ATOM 209 N SER A 14 6.381 -5.157 0.538 1.00 0.00 N +ATOM 210 CA SER A 14 6.165 -5.055 -0.915 1.00 0.00 C +ATOM 211 C SER A 14 7.342 -4.457 -1.697 1.00 0.00 C +ATOM 212 O SER A 14 7.309 -4.428 -2.924 1.00 0.00 O +ATOM 213 CB SER A 14 4.964 -4.138 -1.174 1.00 0.00 C +ATOM 214 OG SER A 14 3.864 -4.511 -0.377 1.00 0.00 O +ATOM 215 H SER A 14 5.881 -4.475 1.098 1.00 0.00 H +ATOM 216 HA SER A 14 5.937 -6.042 -1.321 1.00 0.00 H +ATOM 217 HB2 SER A 14 5.238 -3.127 -0.943 1.00 0.00 H +ATOM 218 HB3 SER A 14 4.688 -4.185 -2.225 1.00 0.00 H +ATOM 219 HG SER A 14 3.188 -3.835 -0.468 1.00 0.00 H +ATOM 220 N GLY A 15 8.357 -3.909 -1.017 1.00 0.00 N +ATOM 221 CA GLY A 15 9.474 -3.213 -1.669 1.00 0.00 C +ATOM 222 C GLY A 15 9.156 -1.791 -2.160 1.00 0.00 C +ATOM 223 O GLY A 15 9.942 -1.231 -2.920 1.00 0.00 O +ATOM 224 H GLY A 15 8.341 -3.994 -0.010 1.00 0.00 H +ATOM 225 HA2 GLY A 15 10.311 -3.152 -0.976 1.00 0.00 H +ATOM 226 HA3 GLY A 15 9.800 -3.797 -2.532 1.00 0.00 H +ATOM 227 N ARG A 16 8.024 -1.197 -1.741 1.00 0.00 N +ATOM 228 CA ARG A 16 7.568 0.140 -2.156 1.00 0.00 C +ATOM 229 C ARG A 16 7.012 0.930 -0.956 1.00 0.00 C +ATOM 230 O ARG A 16 6.231 0.354 -0.196 1.00 0.00 O +ATOM 231 CB ARG A 16 6.504 -0.029 -3.256 1.00 0.00 C +ATOM 232 CG ARG A 16 6.136 1.305 -3.920 1.00 0.00 C +ATOM 233 CD ARG A 16 5.111 1.119 -5.043 1.00 0.00 C +ATOM 234 NE ARG A 16 4.902 2.373 -5.790 1.00 0.00 N +ATOM 235 CZ ARG A 16 4.118 3.394 -5.467 1.00 0.00 C +ATOM 236 NH1 ARG A 16 3.401 3.409 -4.368 1.00 0.00 N +ATOM 237 NH2 ARG A 16 4.046 4.440 -6.259 1.00 0.00 N +ATOM 238 H ARG A 16 7.441 -1.716 -1.100 1.00 0.00 H +ATOM 239 HA ARG A 16 8.423 0.671 -2.576 1.00 0.00 H +ATOM 240 HB2 ARG A 16 6.886 -0.694 -4.006 1.00 0.00 H +ATOM 241 HB3 ARG A 16 5.608 -0.485 -2.831 1.00 0.00 H +ATOM 242 HG2 ARG A 16 5.722 1.960 -3.177 1.00 0.00 H +ATOM 243 HG3 ARG A 16 7.039 1.747 -4.344 1.00 0.00 H +ATOM 244 HD2 ARG A 16 5.466 0.364 -5.719 1.00 0.00 H +ATOM 245 HD3 ARG A 16 4.167 0.759 -4.628 1.00 0.00 H +ATOM 246 HE ARG A 16 5.422 2.462 -6.647 1.00 0.00 H +ATOM 247 HH11 ARG A 16 3.504 2.647 -3.718 1.00 0.00 H +ATOM 248 HH12 ARG A 16 2.814 4.189 -4.136 1.00 0.00 H +ATOM 249 HH21 ARG A 16 4.589 4.478 -7.103 1.00 0.00 H +ATOM 250 HH22 ARG A 16 3.453 5.213 -6.014 1.00 0.00 H +ATOM 251 N PRO A 17 7.341 2.229 -0.790 1.00 0.00 N +ATOM 252 CA PRO A 17 6.828 3.050 0.313 1.00 0.00 C +ATOM 253 C PRO A 17 5.302 3.268 0.240 1.00 0.00 C +ATOM 254 O PRO A 17 4.711 3.118 -0.837 1.00 0.00 O +ATOM 255 CB PRO A 17 7.588 4.382 0.217 1.00 0.00 C +ATOM 256 CG PRO A 17 7.955 4.479 -1.259 1.00 0.00 C +ATOM 257 CD PRO A 17 8.236 3.024 -1.624 1.00 0.00 C +ATOM 258 HA PRO A 17 7.073 2.564 1.257 1.00 0.00 H +ATOM 259 HB2 PRO A 17 6.962 5.202 0.511 1.00 0.00 H +ATOM 260 HB3 PRO A 17 8.498 4.326 0.815 1.00 0.00 H +ATOM 261 HG2 PRO A 17 7.141 4.874 -1.836 1.00 0.00 H +ATOM 262 HG3 PRO A 17 8.825 5.116 -1.425 1.00 0.00 H +ATOM 263 HD2 PRO A 17 8.031 2.852 -2.663 1.00 0.00 H +ATOM 264 HD3 PRO A 17 9.270 2.778 -1.381 1.00 0.00 H +ATOM 265 N PRO A 18 4.658 3.643 1.366 1.00 0.00 N +ATOM 266 CA PRO A 18 3.221 3.898 1.414 1.00 0.00 C +ATOM 267 C PRO A 18 2.834 5.170 0.637 1.00 0.00 C +ATOM 268 O PRO A 18 3.623 6.115 0.574 1.00 0.00 O +ATOM 269 CB PRO A 18 2.872 4.023 2.901 1.00 0.00 C +ATOM 270 CG PRO A 18 4.173 4.506 3.536 1.00 0.00 C +ATOM 271 CD PRO A 18 5.248 3.833 2.686 1.00 0.00 C +ATOM 272 HA PRO A 18 2.702 3.039 0.999 1.00 0.00 H +ATOM 273 HB2 PRO A 18 2.085 4.736 3.051 1.00 0.00 H +ATOM 274 HB3 PRO A 18 2.619 3.041 3.300 1.00 0.00 H +ATOM 275 HG2 PRO A 18 4.254 5.575 3.483 1.00 0.00 H +ATOM 276 HG3 PRO A 18 4.246 4.214 4.585 1.00 0.00 H +ATOM 277 HD2 PRO A 18 6.117 4.459 2.619 1.00 0.00 H +ATOM 278 HD3 PRO A 18 5.501 2.862 3.113 1.00 0.00 H +ATOM 279 N PRO A 19 1.620 5.223 0.057 1.00 0.00 N +ATOM 280 CA PRO A 19 1.139 6.367 -0.722 1.00 0.00 C +ATOM 281 C PRO A 19 0.477 7.473 0.123 1.00 0.00 C +ATOM 282 O PRO A 19 0.201 8.545 -0.412 1.00 0.00 O +ATOM 283 CB PRO A 19 0.125 5.747 -1.684 1.00 0.00 C +ATOM 284 CG PRO A 19 -0.519 4.650 -0.831 1.00 0.00 C +ATOM 285 CD PRO A 19 0.673 4.117 -0.040 1.00 0.00 C +ATOM 286 HA PRO A 19 1.956 6.812 -1.290 1.00 0.00 H +ATOM 287 HB2 PRO A 19 -0.603 6.470 -1.999 1.00 0.00 H +ATOM 288 HB3 PRO A 19 0.651 5.295 -2.525 1.00 0.00 H +ATOM 289 HG2 PRO A 19 -1.270 5.054 -0.179 1.00 0.00 H +ATOM 290 HG3 PRO A 19 -0.979 3.875 -1.444 1.00 0.00 H +ATOM 291 HD2 PRO A 19 0.362 3.806 0.939 1.00 0.00 H +ATOM 292 HD3 PRO A 19 1.138 3.304 -0.597 1.00 0.00 H +ATOM 293 N SER A 20 0.213 7.210 1.410 1.00 0.00 N +ATOM 294 CA SER A 20 -0.379 8.118 2.401 1.00 0.00 C +ATOM 295 C SER A 20 0.477 8.085 3.667 1.00 0.00 C +ATOM 296 O SER A 20 0.871 9.175 4.129 1.00 0.00 O +ATOM 297 CB SER A 20 -1.821 7.700 2.717 1.00 0.00 C +ATOM 298 OG SER A 20 -2.657 8.835 2.780 1.00 0.00 O +ATOM 299 OXT SER A 20 0.731 6.946 4.124 1.00 0.00 O +ATOM 300 H SER A 20 0.539 6.334 1.792 1.00 0.00 H +ATOM 301 HA SER A 20 -0.376 9.140 2.021 1.00 0.00 H +ATOM 302 HB2 SER A 20 -2.175 7.041 1.948 1.00 0.00 H +ATOM 303 HB3 SER A 20 -1.844 7.173 3.675 1.00 0.00 H +ATOM 304 HG SER A 20 -3.473 8.604 3.228 1.00 0.00 H +TER 305 SER A 20 +ENDMDL +MODEL 34 +ATOM 1 N ASN A 1 -5.799 7.830 -0.622 1.00 0.00 N +ATOM 2 CA ASN A 1 -6.880 6.904 -1.045 1.00 0.00 C +ATOM 3 C ASN A 1 -6.385 5.527 -1.533 1.00 0.00 C +ATOM 4 O ASN A 1 -7.195 4.623 -1.680 1.00 0.00 O +ATOM 5 CB ASN A 1 -7.825 7.579 -2.066 1.00 0.00 C +ATOM 6 CG ASN A 1 -9.296 7.287 -1.763 1.00 0.00 C +ATOM 7 OD1 ASN A 1 -9.622 6.455 -0.932 1.00 0.00 O +ATOM 8 ND2 ASN A 1 -10.226 7.998 -2.373 1.00 0.00 N +ATOM 9 H1 ASN A 1 -5.221 7.401 0.088 1.00 0.00 H +ATOM 10 H2 ASN A 1 -5.228 8.093 -1.416 1.00 0.00 H +ATOM 11 H3 ASN A 1 -6.207 8.670 -0.235 1.00 0.00 H +ATOM 12 HA ASN A 1 -7.484 6.690 -0.160 1.00 0.00 H +ATOM 13 HB2 ASN A 1 -7.668 8.640 -2.035 1.00 0.00 H +ATOM 14 HB3 ASN A 1 -7.593 7.245 -3.078 1.00 0.00 H +ATOM 15 HD21 ASN A 1 -10.030 8.724 -3.044 1.00 0.00 H +ATOM 16 HD22 ASN A 1 -11.167 7.758 -2.108 1.00 0.00 H +ATOM 17 N LEU A 2 -5.074 5.320 -1.762 1.00 0.00 N +ATOM 18 CA LEU A 2 -4.517 4.062 -2.295 1.00 0.00 C +ATOM 19 C LEU A 2 -3.967 3.102 -1.219 1.00 0.00 C +ATOM 20 O LEU A 2 -3.428 2.045 -1.548 1.00 0.00 O +ATOM 21 CB LEU A 2 -3.448 4.425 -3.346 1.00 0.00 C +ATOM 22 CG LEU A 2 -4.051 4.779 -4.719 1.00 0.00 C +ATOM 23 CD1 LEU A 2 -3.023 5.544 -5.556 1.00 0.00 C +ATOM 24 CD2 LEU A 2 -4.473 3.517 -5.479 1.00 0.00 C +ATOM 25 H LEU A 2 -4.397 6.057 -1.657 1.00 0.00 H +ATOM 26 HA LEU A 2 -5.309 3.505 -2.795 1.00 0.00 H +ATOM 27 HB2 LEU A 2 -2.890 5.269 -2.989 1.00 0.00 H +ATOM 28 HB3 LEU A 2 -2.757 3.592 -3.484 1.00 0.00 H +ATOM 29 HG LEU A 2 -4.923 5.421 -4.583 1.00 0.00 H +ATOM 30 HD11 LEU A 2 -2.817 6.509 -5.095 1.00 0.00 H +ATOM 31 HD12 LEU A 2 -2.096 4.973 -5.628 1.00 0.00 H +ATOM 32 HD13 LEU A 2 -3.417 5.717 -6.558 1.00 0.00 H +ATOM 33 HD21 LEU A 2 -3.615 2.859 -5.616 1.00 0.00 H +ATOM 34 HD22 LEU A 2 -5.251 2.986 -4.932 1.00 0.00 H +ATOM 35 HD23 LEU A 2 -4.869 3.792 -6.456 1.00 0.00 H +ATOM 36 N TYR A 3 -4.114 3.440 0.068 1.00 0.00 N +ATOM 37 CA TYR A 3 -3.557 2.674 1.187 1.00 0.00 C +ATOM 38 C TYR A 3 -4.050 1.217 1.220 1.00 0.00 C +ATOM 39 O TYR A 3 -3.279 0.313 1.534 1.00 0.00 O +ATOM 40 CB TYR A 3 -3.871 3.401 2.505 1.00 0.00 C +ATOM 41 CG TYR A 3 -2.796 3.226 3.558 1.00 0.00 C +ATOM 42 CD1 TYR A 3 -2.742 2.051 4.335 1.00 0.00 C +ATOM 43 CD2 TYR A 3 -1.836 4.240 3.749 1.00 0.00 C +ATOM 44 CE1 TYR A 3 -1.743 1.897 5.317 1.00 0.00 C +ATOM 45 CE2 TYR A 3 -0.837 4.088 4.726 1.00 0.00 C +ATOM 46 CZ TYR A 3 -0.793 2.923 5.516 1.00 0.00 C +ATOM 47 OH TYR A 3 0.148 2.813 6.496 1.00 0.00 O +ATOM 48 H TYR A 3 -4.583 4.306 0.272 1.00 0.00 H +ATOM 49 HA TYR A 3 -2.473 2.651 1.067 1.00 0.00 H +ATOM 50 HB2 TYR A 3 -3.978 4.449 2.299 1.00 0.00 H +ATOM 51 HB3 TYR A 3 -4.828 3.055 2.899 1.00 0.00 H +ATOM 52 HD1 TYR A 3 -3.469 1.267 4.176 1.00 0.00 H +ATOM 53 HD2 TYR A 3 -1.865 5.144 3.155 1.00 0.00 H +ATOM 54 HE1 TYR A 3 -1.699 0.996 5.909 1.00 0.00 H +ATOM 55 HE2 TYR A 3 -0.106 4.866 4.894 1.00 0.00 H +ATOM 56 HH TYR A 3 -0.189 2.359 7.268 1.00 0.00 H +ATOM 57 N ILE A 4 -5.316 0.983 0.838 1.00 0.00 N +ATOM 58 CA ILE A 4 -5.917 -0.354 0.736 1.00 0.00 C +ATOM 59 C ILE A 4 -5.164 -1.204 -0.302 1.00 0.00 C +ATOM 60 O ILE A 4 -4.740 -2.313 0.009 1.00 0.00 O +ATOM 61 CB ILE A 4 -7.431 -0.260 0.419 1.00 0.00 C +ATOM 62 CG1 ILE A 4 -8.188 0.682 1.392 1.00 0.00 C +ATOM 63 CG2 ILE A 4 -8.073 -1.658 0.464 1.00 0.00 C +ATOM 64 CD1 ILE A 4 -8.662 1.967 0.703 1.00 0.00 C +ATOM 65 H ILE A 4 -5.883 1.784 0.606 1.00 0.00 H +ATOM 66 HA ILE A 4 -5.806 -0.849 1.701 1.00 0.00 H +ATOM 67 HB ILE A 4 -7.550 0.118 -0.599 1.00 0.00 H +ATOM 68 HG12 ILE A 4 -9.043 0.163 1.781 1.00 0.00 H +ATOM 69 HG13 ILE A 4 -7.554 0.946 2.240 1.00 0.00 H +ATOM 70 HG21 ILE A 4 -7.627 -2.311 -0.285 1.00 0.00 H +ATOM 71 HG22 ILE A 4 -7.939 -2.102 1.451 1.00 0.00 H +ATOM 72 HG23 ILE A 4 -9.141 -1.582 0.251 1.00 0.00 H +ATOM 73 HD11 ILE A 4 -7.826 2.470 0.218 1.00 0.00 H +ATOM 74 HD12 ILE A 4 -9.419 1.723 -0.045 1.00 0.00 H +ATOM 75 HD13 ILE A 4 -9.102 2.636 1.442 1.00 0.00 H +ATOM 76 N GLN A 5 -4.951 -0.669 -1.512 1.00 0.00 N +ATOM 77 CA GLN A 5 -4.159 -1.301 -2.575 1.00 0.00 C +ATOM 78 C GLN A 5 -2.710 -1.563 -2.137 1.00 0.00 C +ATOM 79 O GLN A 5 -2.195 -2.659 -2.357 1.00 0.00 O +ATOM 80 CB GLN A 5 -4.205 -0.425 -3.844 1.00 0.00 C +ATOM 81 CG GLN A 5 -5.431 -0.707 -4.723 1.00 0.00 C +ATOM 82 CD GLN A 5 -5.229 -1.914 -5.660 1.00 0.00 C +ATOM 83 OE1 GLN A 5 -4.748 -2.967 -5.270 1.00 0.00 O +ATOM 84 NE2 GLN A 5 -5.591 -1.783 -6.912 1.00 0.00 N +ATOM 85 H GLN A 5 -5.269 0.277 -1.662 1.00 0.00 H +ATOM 86 HA GLN A 5 -4.597 -2.273 -2.805 1.00 0.00 H +ATOM 87 HB2 GLN A 5 -4.227 0.606 -3.547 1.00 0.00 H +ATOM 88 HB3 GLN A 5 -3.305 -0.586 -4.439 1.00 0.00 H +ATOM 89 HG2 GLN A 5 -6.272 -0.904 -4.086 1.00 0.00 H +ATOM 90 HG3 GLN A 5 -5.620 0.176 -5.336 1.00 0.00 H +ATOM 91 HE21 GLN A 5 -6.009 -0.948 -7.281 1.00 0.00 H +ATOM 92 HE22 GLN A 5 -5.424 -2.601 -7.488 1.00 0.00 H +ATOM 93 N TRP A 6 -2.061 -0.590 -1.483 1.00 0.00 N +ATOM 94 CA TRP A 6 -0.707 -0.761 -0.942 1.00 0.00 C +ATOM 95 C TRP A 6 -0.625 -1.886 0.103 1.00 0.00 C +ATOM 96 O TRP A 6 0.254 -2.748 0.014 1.00 0.00 O +ATOM 97 CB TRP A 6 -0.203 0.570 -0.378 1.00 0.00 C +ATOM 98 CG TRP A 6 1.188 0.516 0.176 1.00 0.00 C +ATOM 99 CD1 TRP A 6 2.328 0.543 -0.554 1.00 0.00 C +ATOM 100 CD2 TRP A 6 1.611 0.411 1.571 1.00 0.00 C +ATOM 101 NE1 TRP A 6 3.420 0.431 0.286 1.00 0.00 N +ATOM 102 CE2 TRP A 6 3.036 0.358 1.604 1.00 0.00 C +ATOM 103 CE3 TRP A 6 0.941 0.370 2.813 1.00 0.00 C +ATOM 104 CZ2 TRP A 6 3.764 0.276 2.797 1.00 0.00 C +ATOM 105 CZ3 TRP A 6 1.660 0.285 4.021 1.00 0.00 C +ATOM 106 CH2 TRP A 6 3.067 0.241 4.016 1.00 0.00 C +ATOM 107 H TRP A 6 -2.536 0.304 -1.365 1.00 0.00 H +ATOM 108 HA TRP A 6 -0.047 -1.048 -1.761 1.00 0.00 H +ATOM 109 HB2 TRP A 6 -0.223 1.298 -1.166 1.00 0.00 H +ATOM 110 HB3 TRP A 6 -0.876 0.904 0.412 1.00 0.00 H +ATOM 111 HD1 TRP A 6 2.371 0.637 -1.631 1.00 0.00 H +ATOM 112 HE1 TRP A 6 4.399 0.438 -0.005 1.00 0.00 H +ATOM 113 HE3 TRP A 6 -0.139 0.419 2.832 1.00 0.00 H +ATOM 114 HZ2 TRP A 6 4.843 0.240 2.765 1.00 0.00 H +ATOM 115 HZ3 TRP A 6 1.130 0.269 4.964 1.00 0.00 H +ATOM 116 HH2 TRP A 6 3.612 0.191 4.946 1.00 0.00 H +ATOM 117 N LEU A 7 -1.566 -1.931 1.058 1.00 0.00 N +ATOM 118 CA LEU A 7 -1.690 -3.054 1.991 1.00 0.00 C +ATOM 119 C LEU A 7 -1.955 -4.378 1.260 1.00 0.00 C +ATOM 120 O LEU A 7 -1.318 -5.376 1.595 1.00 0.00 O +ATOM 121 CB LEU A 7 -2.786 -2.777 3.037 1.00 0.00 C +ATOM 122 CG LEU A 7 -2.391 -1.764 4.129 1.00 0.00 C +ATOM 123 CD1 LEU A 7 -3.612 -1.492 5.013 1.00 0.00 C +ATOM 124 CD2 LEU A 7 -1.258 -2.274 5.027 1.00 0.00 C +ATOM 125 H LEU A 7 -2.249 -1.176 1.107 1.00 0.00 H +ATOM 126 HA LEU A 7 -0.737 -3.180 2.499 1.00 0.00 H +ATOM 127 HB2 LEU A 7 -3.649 -2.397 2.525 1.00 0.00 H +ATOM 128 HB3 LEU A 7 -3.042 -3.717 3.527 1.00 0.00 H +ATOM 129 HG LEU A 7 -2.078 -0.829 3.669 1.00 0.00 H +ATOM 130 HD11 LEU A 7 -4.419 -1.078 4.410 1.00 0.00 H +ATOM 131 HD12 LEU A 7 -3.953 -2.420 5.476 1.00 0.00 H +ATOM 132 HD13 LEU A 7 -3.357 -0.782 5.798 1.00 0.00 H +ATOM 133 HD21 LEU A 7 -1.530 -3.234 5.465 1.00 0.00 H +ATOM 134 HD22 LEU A 7 -0.339 -2.386 4.455 1.00 0.00 H +ATOM 135 HD23 LEU A 7 -1.069 -1.559 5.827 1.00 0.00 H +ATOM 136 N LYS A 8 -2.824 -4.393 0.234 1.00 0.00 N +ATOM 137 CA LYS A 8 -3.130 -5.587 -0.573 1.00 0.00 C +ATOM 138 C LYS A 8 -1.901 -6.192 -1.263 1.00 0.00 C +ATOM 139 O LYS A 8 -1.908 -7.378 -1.579 1.00 0.00 O +ATOM 140 CB LYS A 8 -4.203 -5.259 -1.628 1.00 0.00 C +ATOM 141 CG LYS A 8 -5.048 -6.490 -2.013 1.00 0.00 C +ATOM 142 CD LYS A 8 -5.129 -6.766 -3.523 1.00 0.00 C +ATOM 143 CE LYS A 8 -3.903 -7.532 -4.050 1.00 0.00 C +ATOM 144 NZ LYS A 8 -2.952 -6.665 -4.790 1.00 0.00 N +ATOM 145 H LYS A 8 -3.348 -3.538 0.053 1.00 0.00 H +ATOM 146 HA LYS A 8 -3.517 -6.346 0.108 1.00 0.00 H +ATOM 147 HB2 LYS A 8 -4.855 -4.504 -1.233 1.00 0.00 H +ATOM 148 HB3 LYS A 8 -3.725 -4.833 -2.511 1.00 0.00 H +ATOM 149 HG2 LYS A 8 -4.619 -7.352 -1.538 1.00 0.00 H +ATOM 150 HG3 LYS A 8 -6.060 -6.319 -1.647 1.00 0.00 H +ATOM 151 HD2 LYS A 8 -6.009 -7.348 -3.720 1.00 0.00 H +ATOM 152 HD3 LYS A 8 -5.287 -5.837 -4.075 1.00 0.00 H +ATOM 153 HE2 LYS A 8 -3.389 -7.970 -3.216 1.00 0.00 H +ATOM 154 HE3 LYS A 8 -4.260 -8.327 -4.710 1.00 0.00 H +ATOM 155 HZ1 LYS A 8 -3.417 -6.219 -5.569 1.00 0.00 H +ATOM 156 HZ2 LYS A 8 -2.573 -5.948 -4.185 1.00 0.00 H +ATOM 157 HZ3 LYS A 8 -2.177 -7.215 -5.141 1.00 0.00 H +ATOM 158 N ASP A 9 -0.868 -5.389 -1.528 1.00 0.00 N +ATOM 159 CA ASP A 9 0.415 -5.850 -2.062 1.00 0.00 C +ATOM 160 C ASP A 9 1.361 -6.433 -0.997 1.00 0.00 C +ATOM 161 O ASP A 9 2.393 -7.000 -1.356 1.00 0.00 O +ATOM 162 CB ASP A 9 1.128 -4.679 -2.755 1.00 0.00 C +ATOM 163 CG ASP A 9 1.821 -5.147 -4.033 1.00 0.00 C +ATOM 164 OD1 ASP A 9 1.092 -5.500 -4.985 1.00 0.00 O +ATOM 165 OD2 ASP A 9 3.071 -5.076 -4.089 1.00 0.00 O +ATOM 166 H ASP A 9 -0.983 -4.400 -1.335 1.00 0.00 H +ATOM 167 HA ASP A 9 0.222 -6.632 -2.802 1.00 0.00 H +ATOM 168 HB2 ASP A 9 0.407 -3.924 -3.002 1.00 0.00 H +ATOM 169 HB3 ASP A 9 1.858 -4.239 -2.072 1.00 0.00 H +ATOM 170 N GLY A 10 1.065 -6.245 0.295 1.00 0.00 N +ATOM 171 CA GLY A 10 1.887 -6.698 1.422 1.00 0.00 C +ATOM 172 C GLY A 10 2.425 -5.583 2.330 1.00 0.00 C +ATOM 173 O GLY A 10 3.181 -5.881 3.256 1.00 0.00 O +ATOM 174 H GLY A 10 0.187 -5.780 0.519 1.00 0.00 H +ATOM 175 HA2 GLY A 10 1.284 -7.365 2.037 1.00 0.00 H +ATOM 176 HA3 GLY A 10 2.742 -7.268 1.059 1.00 0.00 H +ATOM 177 N GLY A 11 2.061 -4.312 2.104 1.00 0.00 N +ATOM 178 CA GLY A 11 2.490 -3.202 2.957 1.00 0.00 C +ATOM 179 C GLY A 11 4.026 -3.036 2.995 1.00 0.00 C +ATOM 180 O GLY A 11 4.652 -3.007 1.932 1.00 0.00 O +ATOM 181 H GLY A 11 1.472 -4.098 1.305 1.00 0.00 H +ATOM 182 HA2 GLY A 11 2.054 -2.278 2.582 1.00 0.00 H +ATOM 183 HA3 GLY A 11 2.093 -3.382 3.955 1.00 0.00 H +ATOM 184 N PRO A 12 4.674 -2.922 4.179 1.00 0.00 N +ATOM 185 CA PRO A 12 6.124 -2.708 4.301 1.00 0.00 C +ATOM 186 C PRO A 12 7.022 -3.877 3.833 1.00 0.00 C +ATOM 187 O PRO A 12 8.218 -3.871 4.113 1.00 0.00 O +ATOM 188 CB PRO A 12 6.391 -2.376 5.780 1.00 0.00 C +ATOM 189 CG PRO A 12 5.023 -2.264 6.447 1.00 0.00 C +ATOM 190 CD PRO A 12 4.073 -2.998 5.504 1.00 0.00 C +ATOM 191 HA PRO A 12 6.387 -1.837 3.703 1.00 0.00 H +ATOM 192 HB2 PRO A 12 6.965 -3.158 6.239 1.00 0.00 H +ATOM 193 HB3 PRO A 12 6.935 -1.434 5.867 1.00 0.00 H +ATOM 194 HG2 PRO A 12 5.033 -2.731 7.413 1.00 0.00 H +ATOM 195 HG3 PRO A 12 4.734 -1.214 6.511 1.00 0.00 H +ATOM 196 HD2 PRO A 12 3.967 -4.022 5.806 1.00 0.00 H +ATOM 197 HD3 PRO A 12 3.094 -2.523 5.547 1.00 0.00 H +ATOM 198 N SER A 13 6.477 -4.893 3.152 1.00 0.00 N +ATOM 199 CA SER A 13 7.175 -6.119 2.726 1.00 0.00 C +ATOM 200 C SER A 13 7.263 -6.275 1.201 1.00 0.00 C +ATOM 201 O SER A 13 7.639 -7.338 0.711 1.00 0.00 O +ATOM 202 CB SER A 13 6.505 -7.331 3.383 1.00 0.00 C +ATOM 203 OG SER A 13 6.754 -7.284 4.773 1.00 0.00 O +ATOM 204 H SER A 13 5.498 -4.804 2.901 1.00 0.00 H +ATOM 205 HA SER A 13 8.208 -6.093 3.078 1.00 0.00 H +ATOM 206 HB2 SER A 13 5.448 -7.301 3.204 1.00 0.00 H +ATOM 207 HB3 SER A 13 6.916 -8.258 2.983 1.00 0.00 H +ATOM 208 HG SER A 13 6.699 -6.365 5.049 1.00 0.00 H +ATOM 209 N SER A 14 6.946 -5.213 0.448 1.00 0.00 N +ATOM 210 CA SER A 14 6.719 -5.256 -1.005 1.00 0.00 C +ATOM 211 C SER A 14 7.679 -4.357 -1.805 1.00 0.00 C +ATOM 212 O SER A 14 7.475 -4.156 -3.000 1.00 0.00 O +ATOM 213 CB SER A 14 5.251 -4.902 -1.299 1.00 0.00 C +ATOM 214 OG SER A 14 4.376 -5.610 -0.441 1.00 0.00 O +ATOM 215 H SER A 14 6.585 -4.411 0.948 1.00 0.00 H +ATOM 216 HA SER A 14 6.876 -6.275 -1.359 1.00 0.00 H +ATOM 217 HB2 SER A 14 5.108 -3.848 -1.154 1.00 0.00 H +ATOM 218 HB3 SER A 14 5.023 -5.134 -2.341 1.00 0.00 H +ATOM 219 HG SER A 14 3.677 -6.081 -0.956 1.00 0.00 H +ATOM 220 N GLY A 15 8.709 -3.785 -1.159 1.00 0.00 N +ATOM 221 CA GLY A 15 9.714 -2.925 -1.800 1.00 0.00 C +ATOM 222 C GLY A 15 9.190 -1.564 -2.282 1.00 0.00 C +ATOM 223 O GLY A 15 9.812 -0.954 -3.149 1.00 0.00 O +ATOM 224 H GLY A 15 8.834 -4.046 -0.191 1.00 0.00 H +ATOM 225 HA2 GLY A 15 10.523 -2.738 -1.093 1.00 0.00 H +ATOM 226 HA3 GLY A 15 10.138 -3.448 -2.658 1.00 0.00 H +ATOM 227 N ARG A 16 8.055 -1.092 -1.742 1.00 0.00 N +ATOM 228 CA ARG A 16 7.352 0.126 -2.173 1.00 0.00 C +ATOM 229 C ARG A 16 6.879 0.975 -0.975 1.00 0.00 C +ATOM 230 O ARG A 16 6.283 0.422 -0.047 1.00 0.00 O +ATOM 231 CB ARG A 16 6.179 -0.250 -3.105 1.00 0.00 C +ATOM 232 CG ARG A 16 5.216 -1.290 -2.506 1.00 0.00 C +ATOM 233 CD ARG A 16 3.913 -1.453 -3.294 1.00 0.00 C +ATOM 234 NE ARG A 16 3.979 -2.564 -4.251 1.00 0.00 N +ATOM 235 CZ ARG A 16 4.099 -2.562 -5.568 1.00 0.00 C +ATOM 236 NH1 ARG A 16 4.326 -1.471 -6.261 1.00 0.00 N +ATOM 237 NH2 ARG A 16 3.956 -3.703 -6.191 1.00 0.00 N +ATOM 238 H ARG A 16 7.635 -1.646 -1.010 1.00 0.00 H +ATOM 239 HA ARG A 16 8.053 0.718 -2.760 1.00 0.00 H +ATOM 240 HB2 ARG A 16 5.622 0.641 -3.323 1.00 0.00 H +ATOM 241 HB3 ARG A 16 6.585 -0.650 -4.035 1.00 0.00 H +ATOM 242 HG2 ARG A 16 5.716 -2.239 -2.480 1.00 0.00 H +ATOM 243 HG3 ARG A 16 4.938 -1.000 -1.497 1.00 0.00 H +ATOM 244 HD2 ARG A 16 3.113 -1.638 -2.604 1.00 0.00 H +ATOM 245 HD3 ARG A 16 3.642 -0.518 -3.782 1.00 0.00 H +ATOM 246 HE ARG A 16 3.778 -3.506 -3.901 1.00 0.00 H +ATOM 247 HH11 ARG A 16 4.431 -0.607 -5.761 1.00 0.00 H +ATOM 248 HH12 ARG A 16 4.393 -1.513 -7.260 1.00 0.00 H +ATOM 249 HH21 ARG A 16 3.656 -4.483 -5.580 1.00 0.00 H +ATOM 250 HH22 ARG A 16 3.997 -3.809 -7.186 1.00 0.00 H +ATOM 251 N PRO A 17 7.088 2.308 -0.976 1.00 0.00 N +ATOM 252 CA PRO A 17 6.623 3.182 0.103 1.00 0.00 C +ATOM 253 C PRO A 17 5.085 3.329 0.103 1.00 0.00 C +ATOM 254 O PRO A 17 4.453 3.095 -0.930 1.00 0.00 O +ATOM 255 CB PRO A 17 7.322 4.523 -0.149 1.00 0.00 C +ATOM 256 CG PRO A 17 7.496 4.553 -1.666 1.00 0.00 C +ATOM 257 CD PRO A 17 7.747 3.086 -2.015 1.00 0.00 C +ATOM 258 HA PRO A 17 6.949 2.777 1.062 1.00 0.00 H +ATOM 259 HB2 PRO A 17 6.713 5.342 0.184 1.00 0.00 H +ATOM 260 HB3 PRO A 17 8.304 4.513 0.328 1.00 0.00 H +ATOM 261 HG2 PRO A 17 6.610 4.918 -2.148 1.00 0.00 H +ATOM 262 HG3 PRO A 17 8.331 5.187 -1.966 1.00 0.00 H +ATOM 263 HD2 PRO A 17 7.329 2.855 -2.976 1.00 0.00 H +ATOM 264 HD3 PRO A 17 8.819 2.881 -1.995 1.00 0.00 H +ATOM 265 N PRO A 18 4.472 3.730 1.236 1.00 0.00 N +ATOM 266 CA PRO A 18 3.027 3.921 1.331 1.00 0.00 C +ATOM 267 C PRO A 18 2.560 5.180 0.573 1.00 0.00 C +ATOM 268 O PRO A 18 3.278 6.182 0.545 1.00 0.00 O +ATOM 269 CB PRO A 18 2.729 4.033 2.829 1.00 0.00 C +ATOM 270 CG PRO A 18 4.024 4.603 3.406 1.00 0.00 C +ATOM 271 CD PRO A 18 5.103 3.976 2.524 1.00 0.00 C +ATOM 272 HA PRO A 18 2.530 3.041 0.935 1.00 0.00 H +ATOM 273 HB2 PRO A 18 1.904 4.696 3.008 1.00 0.00 H +ATOM 274 HB3 PRO A 18 2.555 3.040 3.241 1.00 0.00 H +ATOM 275 HG2 PRO A 18 4.040 5.673 3.332 1.00 0.00 H +ATOM 276 HG3 PRO A 18 4.152 4.336 4.455 1.00 0.00 H +ATOM 277 HD2 PRO A 18 5.931 4.649 2.412 1.00 0.00 H +ATOM 278 HD3 PRO A 18 5.423 3.028 2.956 1.00 0.00 H +ATOM 279 N PRO A 19 1.350 5.165 -0.019 1.00 0.00 N +ATOM 280 CA PRO A 19 0.784 6.306 -0.729 1.00 0.00 C +ATOM 281 C PRO A 19 0.140 7.315 0.240 1.00 0.00 C +ATOM 282 O PRO A 19 -0.739 6.964 1.032 1.00 0.00 O +ATOM 283 CB PRO A 19 -0.244 5.698 -1.684 1.00 0.00 C +ATOM 284 CG PRO A 19 -0.754 4.477 -0.918 1.00 0.00 C +ATOM 285 CD PRO A 19 0.472 4.010 -0.137 1.00 0.00 C +ATOM 286 HA PRO A 19 1.559 6.806 -1.311 1.00 0.00 H +ATOM 287 HB2 PRO A 19 -1.041 6.389 -1.882 1.00 0.00 H +ATOM 288 HB3 PRO A 19 0.259 5.368 -2.595 1.00 0.00 H +ATOM 289 HG2 PRO A 19 -1.552 4.747 -0.254 1.00 0.00 H +ATOM 290 HG3 PRO A 19 -1.111 3.700 -1.593 1.00 0.00 H +ATOM 291 HD2 PRO A 19 0.182 3.664 0.836 1.00 0.00 H +ATOM 292 HD3 PRO A 19 0.986 3.234 -0.702 1.00 0.00 H +ATOM 293 N SER A 20 0.543 8.582 0.113 1.00 0.00 N +ATOM 294 CA SER A 20 0.016 9.748 0.833 1.00 0.00 C +ATOM 295 C SER A 20 -0.159 10.912 -0.134 1.00 0.00 C +ATOM 296 O SER A 20 -1.277 11.467 -0.133 1.00 0.00 O +ATOM 297 CB SER A 20 0.963 10.142 1.970 1.00 0.00 C +ATOM 298 OG SER A 20 0.800 9.241 3.044 1.00 0.00 O +ATOM 299 OXT SER A 20 0.816 11.191 -0.866 1.00 0.00 O +ATOM 300 H SER A 20 1.245 8.811 -0.579 1.00 0.00 H +ATOM 301 HA SER A 20 -0.972 9.534 1.233 1.00 0.00 H +ATOM 302 HB2 SER A 20 1.977 10.105 1.621 1.00 0.00 H +ATOM 303 HB3 SER A 20 0.729 11.154 2.307 1.00 0.00 H +ATOM 304 HG SER A 20 -0.132 9.020 3.102 1.00 0.00 H +TER 305 SER A 20 +ENDMDL +MODEL 35 +ATOM 1 N ASN A 1 -5.868 7.107 0.465 1.00 0.00 N +ATOM 2 CA ASN A 1 -6.755 6.451 -0.528 1.00 0.00 C +ATOM 3 C ASN A 1 -6.147 5.130 -1.011 1.00 0.00 C +ATOM 4 O ASN A 1 -6.599 4.083 -0.564 1.00 0.00 O +ATOM 5 CB ASN A 1 -7.175 7.413 -1.661 1.00 0.00 C +ATOM 6 CG ASN A 1 -8.572 7.064 -2.164 1.00 0.00 C +ATOM 7 OD1 ASN A 1 -8.793 5.981 -2.676 1.00 0.00 O +ATOM 8 ND2 ASN A 1 -9.552 7.938 -2.002 1.00 0.00 N +ATOM 9 H1 ASN A 1 -5.629 6.454 1.200 1.00 0.00 H +ATOM 10 H2 ASN A 1 -5.021 7.437 0.025 1.00 0.00 H +ATOM 11 H3 ASN A 1 -6.346 7.894 0.882 1.00 0.00 H +ATOM 12 HA ASN A 1 -7.671 6.165 -0.007 1.00 0.00 H +ATOM 13 HB2 ASN A 1 -7.174 8.419 -1.289 1.00 0.00 H +ATOM 14 HB3 ASN A 1 -6.479 7.362 -2.498 1.00 0.00 H +ATOM 15 HD21 ASN A 1 -9.433 8.852 -1.600 1.00 0.00 H +ATOM 16 HD22 ASN A 1 -10.445 7.627 -2.351 1.00 0.00 H +ATOM 17 N LEU A 2 -5.067 5.159 -1.809 1.00 0.00 N +ATOM 18 CA LEU A 2 -4.393 3.972 -2.370 1.00 0.00 C +ATOM 19 C LEU A 2 -3.815 2.986 -1.322 1.00 0.00 C +ATOM 20 O LEU A 2 -3.405 1.881 -1.670 1.00 0.00 O +ATOM 21 CB LEU A 2 -3.318 4.475 -3.359 1.00 0.00 C +ATOM 22 CG LEU A 2 -2.775 3.391 -4.321 1.00 0.00 C +ATOM 23 CD1 LEU A 2 -2.886 3.852 -5.776 1.00 0.00 C +ATOM 24 CD2 LEU A 2 -1.305 3.059 -4.036 1.00 0.00 C +ATOM 25 H LEU A 2 -4.731 6.044 -2.158 1.00 0.00 H +ATOM 26 HA LEU A 2 -5.136 3.416 -2.944 1.00 0.00 H +ATOM 27 HB2 LEU A 2 -3.747 5.262 -3.949 1.00 0.00 H +ATOM 28 HB3 LEU A 2 -2.496 4.924 -2.803 1.00 0.00 H +ATOM 29 HG LEU A 2 -3.366 2.482 -4.221 1.00 0.00 H +ATOM 30 HD11 LEU A 2 -3.924 4.091 -6.007 1.00 0.00 H +ATOM 31 HD12 LEU A 2 -2.264 4.732 -5.945 1.00 0.00 H +ATOM 32 HD13 LEU A 2 -2.567 3.048 -6.440 1.00 0.00 H +ATOM 33 HD21 LEU A 2 -0.682 3.941 -4.189 1.00 0.00 H +ATOM 34 HD22 LEU A 2 -1.195 2.711 -3.010 1.00 0.00 H +ATOM 35 HD23 LEU A 2 -0.974 2.268 -4.708 1.00 0.00 H +ATOM 36 N TYR A 3 -3.811 3.352 -0.033 1.00 0.00 N +ATOM 37 CA TYR A 3 -3.274 2.565 1.082 1.00 0.00 C +ATOM 38 C TYR A 3 -3.871 1.151 1.162 1.00 0.00 C +ATOM 39 O TYR A 3 -3.162 0.203 1.485 1.00 0.00 O +ATOM 40 CB TYR A 3 -3.498 3.331 2.395 1.00 0.00 C +ATOM 41 CG TYR A 3 -2.474 3.026 3.471 1.00 0.00 C +ATOM 42 CD1 TYR A 3 -2.556 1.845 4.232 1.00 0.00 C +ATOM 43 CD2 TYR A 3 -1.445 3.950 3.728 1.00 0.00 C +ATOM 44 CE1 TYR A 3 -1.614 1.596 5.250 1.00 0.00 C +ATOM 45 CE2 TYR A 3 -0.515 3.719 4.759 1.00 0.00 C +ATOM 46 CZ TYR A 3 -0.602 2.538 5.524 1.00 0.00 C +ATOM 47 OH TYR A 3 0.272 2.308 6.543 1.00 0.00 O +ATOM 48 H TYR A 3 -4.199 4.255 0.180 1.00 0.00 H +ATOM 49 HA TYR A 3 -2.199 2.466 0.933 1.00 0.00 H +ATOM 50 HB2 TYR A 3 -3.461 4.382 2.183 1.00 0.00 H +ATOM 51 HB3 TYR A 3 -4.496 3.115 2.779 1.00 0.00 H +ATOM 52 HD1 TYR A 3 -3.347 1.135 4.044 1.00 0.00 H +ATOM 53 HD2 TYR A 3 -1.383 4.866 3.163 1.00 0.00 H +ATOM 54 HE1 TYR A 3 -1.662 0.704 5.850 1.00 0.00 H +ATOM 55 HE2 TYR A 3 0.238 4.465 4.970 1.00 0.00 H +ATOM 56 HH TYR A 3 0.748 3.106 6.781 1.00 0.00 H +ATOM 57 N ILE A 4 -5.156 0.994 0.814 1.00 0.00 N +ATOM 58 CA ILE A 4 -5.850 -0.301 0.744 1.00 0.00 C +ATOM 59 C ILE A 4 -5.166 -1.221 -0.284 1.00 0.00 C +ATOM 60 O ILE A 4 -4.867 -2.383 0.001 1.00 0.00 O +ATOM 61 CB ILE A 4 -7.341 -0.069 0.393 1.00 0.00 C +ATOM 62 CG1 ILE A 4 -8.074 0.816 1.434 1.00 0.00 C +ATOM 63 CG2 ILE A 4 -8.093 -1.407 0.261 1.00 0.00 C +ATOM 64 CD1 ILE A 4 -9.121 1.725 0.775 1.00 0.00 C +ATOM 65 H ILE A 4 -5.666 1.828 0.551 1.00 0.00 H +ATOM 66 HA ILE A 4 -5.792 -0.788 1.718 1.00 0.00 H +ATOM 67 HB ILE A 4 -7.379 0.436 -0.575 1.00 0.00 H +ATOM 68 HG12 ILE A 4 -8.565 0.180 2.146 1.00 0.00 H +ATOM 69 HG13 ILE A 4 -7.376 1.460 1.967 1.00 0.00 H +ATOM 70 HG21 ILE A 4 -7.735 -1.962 -0.606 1.00 0.00 H +ATOM 71 HG22 ILE A 4 -7.943 -2.009 1.159 1.00 0.00 H +ATOM 72 HG23 ILE A 4 -9.159 -1.227 0.131 1.00 0.00 H +ATOM 73 HD11 ILE A 4 -8.623 2.466 0.151 1.00 0.00 H +ATOM 74 HD12 ILE A 4 -9.802 1.138 0.157 1.00 0.00 H +ATOM 75 HD13 ILE A 4 -9.693 2.241 1.546 1.00 0.00 H +ATOM 76 N GLN A 5 -4.893 -0.684 -1.479 1.00 0.00 N +ATOM 77 CA GLN A 5 -4.220 -1.377 -2.577 1.00 0.00 C +ATOM 78 C GLN A 5 -2.743 -1.658 -2.245 1.00 0.00 C +ATOM 79 O GLN A 5 -2.248 -2.748 -2.519 1.00 0.00 O +ATOM 80 CB GLN A 5 -4.380 -0.533 -3.859 1.00 0.00 C +ATOM 81 CG GLN A 5 -4.875 -1.373 -5.046 1.00 0.00 C +ATOM 82 CD GLN A 5 -5.310 -0.493 -6.218 1.00 0.00 C +ATOM 83 OE1 GLN A 5 -4.652 0.465 -6.592 1.00 0.00 O +ATOM 84 NE2 GLN A 5 -6.447 -0.772 -6.830 1.00 0.00 N +ATOM 85 H GLN A 5 -5.079 0.301 -1.598 1.00 0.00 H +ATOM 86 HA GLN A 5 -4.712 -2.339 -2.718 1.00 0.00 H +ATOM 87 HB2 GLN A 5 -5.088 0.251 -3.671 1.00 0.00 H +ATOM 88 HB3 GLN A 5 -3.433 -0.060 -4.120 1.00 0.00 H +ATOM 89 HG2 GLN A 5 -4.081 -2.018 -5.371 1.00 0.00 H +ATOM 90 HG3 GLN A 5 -5.728 -1.974 -4.725 1.00 0.00 H +ATOM 91 HE21 GLN A 5 -7.033 -1.546 -6.574 1.00 0.00 H +ATOM 92 HE22 GLN A 5 -6.664 -0.145 -7.586 1.00 0.00 H +ATOM 93 N TRP A 6 -2.061 -0.708 -1.593 1.00 0.00 N +ATOM 94 CA TRP A 6 -0.699 -0.882 -1.080 1.00 0.00 C +ATOM 95 C TRP A 6 -0.600 -1.986 -0.008 1.00 0.00 C +ATOM 96 O TRP A 6 0.299 -2.830 -0.069 1.00 0.00 O +ATOM 97 CB TRP A 6 -0.198 0.465 -0.550 1.00 0.00 C +ATOM 98 CG TRP A 6 1.182 0.437 0.022 1.00 0.00 C +ATOM 99 CD1 TRP A 6 2.329 0.427 -0.694 1.00 0.00 C +ATOM 100 CD2 TRP A 6 1.580 0.373 1.425 1.00 0.00 C +ATOM 101 NE1 TRP A 6 3.407 0.351 0.167 1.00 0.00 N +ATOM 102 CE2 TRP A 6 3.005 0.332 1.482 1.00 0.00 C +ATOM 103 CE3 TRP A 6 0.886 0.337 2.656 1.00 0.00 C +ATOM 104 CZ2 TRP A 6 3.709 0.283 2.693 1.00 0.00 C +ATOM 105 CZ3 TRP A 6 1.584 0.265 3.877 1.00 0.00 C +ATOM 106 CH2 TRP A 6 2.991 0.248 3.900 1.00 0.00 C +ATOM 107 H TRP A 6 -2.532 0.184 -1.455 1.00 0.00 H +ATOM 108 HA TRP A 6 -0.054 -1.185 -1.905 1.00 0.00 H +ATOM 109 HB2 TRP A 6 -0.210 1.168 -1.360 1.00 0.00 H +ATOM 110 HB3 TRP A 6 -0.877 0.814 0.226 1.00 0.00 H +ATOM 111 HD1 TRP A 6 2.391 0.455 -1.774 1.00 0.00 H +ATOM 112 HE1 TRP A 6 4.385 0.314 -0.130 1.00 0.00 H +ATOM 113 HE3 TRP A 6 -0.194 0.363 2.653 1.00 0.00 H +ATOM 114 HZ2 TRP A 6 4.789 0.251 2.682 1.00 0.00 H +ATOM 115 HZ3 TRP A 6 1.036 0.230 4.808 1.00 0.00 H +ATOM 116 HH2 TRP A 6 3.515 0.202 4.842 1.00 0.00 H +ATOM 117 N LEU A 7 -1.541 -2.027 0.949 1.00 0.00 N +ATOM 118 CA LEU A 7 -1.640 -3.112 1.929 1.00 0.00 C +ATOM 119 C LEU A 7 -1.889 -4.468 1.261 1.00 0.00 C +ATOM 120 O LEU A 7 -1.238 -5.436 1.646 1.00 0.00 O +ATOM 121 CB LEU A 7 -2.740 -2.826 2.968 1.00 0.00 C +ATOM 122 CG LEU A 7 -2.343 -1.833 4.074 1.00 0.00 C +ATOM 123 CD1 LEU A 7 -3.572 -1.572 4.953 1.00 0.00 C +ATOM 124 CD2 LEU A 7 -1.217 -2.363 4.972 1.00 0.00 C +ATOM 125 H LEU A 7 -2.224 -1.274 0.990 1.00 0.00 H +ATOM 126 HA LEU A 7 -0.682 -3.200 2.437 1.00 0.00 H +ATOM 127 HB2 LEU A 7 -3.591 -2.427 2.451 1.00 0.00 H +ATOM 128 HB3 LEU A 7 -3.015 -3.766 3.448 1.00 0.00 H +ATOM 129 HG LEU A 7 -2.019 -0.896 3.626 1.00 0.00 H +ATOM 130 HD11 LEU A 7 -4.372 -1.143 4.348 1.00 0.00 H +ATOM 131 HD12 LEU A 7 -3.920 -2.504 5.398 1.00 0.00 H +ATOM 132 HD13 LEU A 7 -3.325 -0.876 5.753 1.00 0.00 H +ATOM 133 HD21 LEU A 7 -1.486 -3.340 5.377 1.00 0.00 H +ATOM 134 HD22 LEU A 7 -0.290 -2.450 4.406 1.00 0.00 H +ATOM 135 HD23 LEU A 7 -1.040 -1.673 5.795 1.00 0.00 H +ATOM 136 N LYS A 8 -2.770 -4.540 0.248 1.00 0.00 N +ATOM 137 CA LYS A 8 -3.034 -5.773 -0.517 1.00 0.00 C +ATOM 138 C LYS A 8 -1.772 -6.426 -1.091 1.00 0.00 C +ATOM 139 O LYS A 8 -1.728 -7.650 -1.174 1.00 0.00 O +ATOM 140 CB LYS A 8 -4.047 -5.506 -1.649 1.00 0.00 C +ATOM 141 CG LYS A 8 -5.490 -5.877 -1.287 1.00 0.00 C +ATOM 142 CD LYS A 8 -5.698 -7.403 -1.249 1.00 0.00 C +ATOM 143 CE LYS A 8 -7.160 -7.768 -0.972 1.00 0.00 C +ATOM 144 NZ LYS A 8 -8.019 -7.558 -2.161 1.00 0.00 N +ATOM 145 H LYS A 8 -3.298 -3.699 0.023 1.00 0.00 H +ATOM 146 HA LYS A 8 -3.441 -6.510 0.174 1.00 0.00 H +ATOM 147 HB2 LYS A 8 -4.017 -4.461 -1.891 1.00 0.00 H +ATOM 148 HB3 LYS A 8 -3.763 -6.070 -2.541 1.00 0.00 H +ATOM 149 HG2 LYS A 8 -5.721 -5.471 -0.321 1.00 0.00 H +ATOM 150 HG3 LYS A 8 -6.147 -5.448 -2.044 1.00 0.00 H +ATOM 151 HD2 LYS A 8 -5.409 -7.817 -2.196 1.00 0.00 H +ATOM 152 HD3 LYS A 8 -5.085 -7.829 -0.456 1.00 0.00 H +ATOM 153 HE2 LYS A 8 -7.211 -8.801 -0.686 1.00 0.00 H +ATOM 154 HE3 LYS A 8 -7.517 -7.163 -0.132 1.00 0.00 H +ATOM 155 HZ1 LYS A 8 -7.967 -6.595 -2.466 1.00 0.00 H +ATOM 156 HZ2 LYS A 8 -7.713 -8.153 -2.920 1.00 0.00 H +ATOM 157 HZ3 LYS A 8 -8.983 -7.781 -1.944 1.00 0.00 H +ATOM 158 N ASP A 9 -0.765 -5.631 -1.463 1.00 0.00 N +ATOM 159 CA ASP A 9 0.519 -6.121 -1.972 1.00 0.00 C +ATOM 160 C ASP A 9 1.445 -6.678 -0.865 1.00 0.00 C +ATOM 161 O ASP A 9 2.350 -7.452 -1.161 1.00 0.00 O +ATOM 162 CB ASP A 9 1.192 -4.971 -2.744 1.00 0.00 C +ATOM 163 CG ASP A 9 2.106 -5.477 -3.863 1.00 0.00 C +ATOM 164 OD1 ASP A 9 1.541 -5.942 -4.878 1.00 0.00 O +ATOM 165 OD2 ASP A 9 3.339 -5.352 -3.715 1.00 0.00 O +ATOM 166 H ASP A 9 -0.913 -4.632 -1.417 1.00 0.00 H +ATOM 167 HA ASP A 9 0.324 -6.932 -2.676 1.00 0.00 H +ATOM 168 HB2 ASP A 9 0.429 -4.352 -3.175 1.00 0.00 H +ATOM 169 HB3 ASP A 9 1.743 -4.334 -2.055 1.00 0.00 H +ATOM 170 N GLY A 10 1.199 -6.324 0.409 1.00 0.00 N +ATOM 171 CA GLY A 10 2.035 -6.695 1.561 1.00 0.00 C +ATOM 172 C GLY A 10 2.549 -5.516 2.405 1.00 0.00 C +ATOM 173 O GLY A 10 3.396 -5.721 3.280 1.00 0.00 O +ATOM 174 H GLY A 10 0.336 -5.822 0.592 1.00 0.00 H +ATOM 175 HA2 GLY A 10 1.449 -7.339 2.217 1.00 0.00 H +ATOM 176 HA3 GLY A 10 2.902 -7.263 1.226 1.00 0.00 H +ATOM 177 N GLY A 11 2.066 -4.289 2.167 1.00 0.00 N +ATOM 178 CA GLY A 11 2.482 -3.079 2.879 1.00 0.00 C +ATOM 179 C GLY A 11 4.013 -2.881 2.908 1.00 0.00 C +ATOM 180 O GLY A 11 4.621 -2.749 1.846 1.00 0.00 O +ATOM 181 H GLY A 11 1.409 -4.178 1.404 1.00 0.00 H +ATOM 182 HA2 GLY A 11 2.044 -2.219 2.376 1.00 0.00 H +ATOM 183 HA3 GLY A 11 2.076 -3.118 3.887 1.00 0.00 H +ATOM 184 N PRO A 12 4.676 -2.846 4.086 1.00 0.00 N +ATOM 185 CA PRO A 12 6.134 -2.696 4.170 1.00 0.00 C +ATOM 186 C PRO A 12 6.928 -3.774 3.419 1.00 0.00 C +ATOM 187 O PRO A 12 8.047 -3.516 2.983 1.00 0.00 O +ATOM 188 CB PRO A 12 6.477 -2.732 5.665 1.00 0.00 C +ATOM 189 CG PRO A 12 5.171 -2.350 6.354 1.00 0.00 C +ATOM 190 CD PRO A 12 4.103 -2.919 5.422 1.00 0.00 C +ATOM 191 HA PRO A 12 6.404 -1.720 3.765 1.00 0.00 H +ATOM 192 HB2 PRO A 12 6.791 -3.715 5.961 1.00 0.00 H +ATOM 193 HB3 PRO A 12 7.280 -2.035 5.906 1.00 0.00 H +ATOM 194 HG2 PRO A 12 5.107 -2.794 7.329 1.00 0.00 H +ATOM 195 HG3 PRO A 12 5.083 -1.262 6.389 1.00 0.00 H +ATOM 196 HD2 PRO A 12 3.883 -3.937 5.681 1.00 0.00 H +ATOM 197 HD3 PRO A 12 3.191 -2.329 5.510 1.00 0.00 H +ATOM 198 N SER A 13 6.360 -4.977 3.249 1.00 0.00 N +ATOM 199 CA SER A 13 7.010 -6.099 2.562 1.00 0.00 C +ATOM 200 C SER A 13 6.911 -6.017 1.027 1.00 0.00 C +ATOM 201 O SER A 13 7.428 -6.898 0.345 1.00 0.00 O +ATOM 202 CB SER A 13 6.444 -7.423 3.092 1.00 0.00 C +ATOM 203 OG SER A 13 6.672 -7.521 4.489 1.00 0.00 O +ATOM 204 H SER A 13 5.417 -5.134 3.594 1.00 0.00 H +ATOM 205 HA SER A 13 8.075 -6.080 2.799 1.00 0.00 H +ATOM 206 HB2 SER A 13 5.389 -7.461 2.900 1.00 0.00 H +ATOM 207 HB3 SER A 13 6.937 -8.259 2.596 1.00 0.00 H +ATOM 208 HG SER A 13 7.611 -7.422 4.660 1.00 0.00 H +ATOM 209 N SER A 14 6.292 -4.962 0.480 1.00 0.00 N +ATOM 210 CA SER A 14 6.048 -4.754 -0.957 1.00 0.00 C +ATOM 211 C SER A 14 7.176 -4.018 -1.697 1.00 0.00 C +ATOM 212 O SER A 14 7.059 -3.747 -2.892 1.00 0.00 O +ATOM 213 CB SER A 14 4.777 -3.919 -1.127 1.00 0.00 C +ATOM 214 OG SER A 14 3.709 -4.470 -0.389 1.00 0.00 O +ATOM 215 H SER A 14 5.828 -4.305 1.101 1.00 0.00 H +ATOM 216 HA SER A 14 5.888 -5.719 -1.440 1.00 0.00 H +ATOM 217 HB2 SER A 14 4.964 -2.920 -0.782 1.00 0.00 H +ATOM 218 HB3 SER A 14 4.508 -3.877 -2.181 1.00 0.00 H +ATOM 219 HG SER A 14 2.926 -3.939 -0.562 1.00 0.00 H +ATOM 220 N GLY A 15 8.243 -3.596 -1.007 1.00 0.00 N +ATOM 221 CA GLY A 15 9.361 -2.835 -1.585 1.00 0.00 C +ATOM 222 C GLY A 15 9.056 -1.352 -1.859 1.00 0.00 C +ATOM 223 O GLY A 15 9.930 -0.509 -1.670 1.00 0.00 O +ATOM 224 H GLY A 15 8.265 -3.821 -0.022 1.00 0.00 H +ATOM 225 HA2 GLY A 15 10.215 -2.889 -0.911 1.00 0.00 H +ATOM 226 HA3 GLY A 15 9.653 -3.296 -2.529 1.00 0.00 H +ATOM 227 N ARG A 16 7.831 -1.015 -2.290 1.00 0.00 N +ATOM 228 CA ARG A 16 7.367 0.368 -2.493 1.00 0.00 C +ATOM 229 C ARG A 16 6.877 0.999 -1.170 1.00 0.00 C +ATOM 230 O ARG A 16 6.119 0.344 -0.451 1.00 0.00 O +ATOM 231 CB ARG A 16 6.250 0.369 -3.554 1.00 0.00 C +ATOM 232 CG ARG A 16 5.874 1.792 -3.992 1.00 0.00 C +ATOM 233 CD ARG A 16 4.768 1.802 -5.052 1.00 0.00 C +ATOM 234 NE ARG A 16 4.592 3.152 -5.624 1.00 0.00 N +ATOM 235 CZ ARG A 16 5.342 3.725 -6.562 1.00 0.00 C +ATOM 236 NH1 ARG A 16 6.353 3.099 -7.118 1.00 0.00 N +ATOM 237 NH2 ARG A 16 5.089 4.951 -6.960 1.00 0.00 N +ATOM 238 H ARG A 16 7.202 -1.790 -2.478 1.00 0.00 H +ATOM 239 HA ARG A 16 8.215 0.937 -2.874 1.00 0.00 H +ATOM 240 HB2 ARG A 16 6.587 -0.180 -4.412 1.00 0.00 H +ATOM 241 HB3 ARG A 16 5.369 -0.141 -3.162 1.00 0.00 H +ATOM 242 HG2 ARG A 16 5.534 2.339 -3.134 1.00 0.00 H +ATOM 243 HG3 ARG A 16 6.762 2.274 -4.401 1.00 0.00 H +ATOM 244 HD2 ARG A 16 5.029 1.120 -5.838 1.00 0.00 H +ATOM 245 HD3 ARG A 16 3.833 1.483 -4.587 1.00 0.00 H +ATOM 246 HE ARG A 16 3.843 3.705 -5.240 1.00 0.00 H +ATOM 247 HH11 ARG A 16 6.545 2.161 -6.819 1.00 0.00 H +ATOM 248 HH12 ARG A 16 6.918 3.536 -7.824 1.00 0.00 H +ATOM 249 HH21 ARG A 16 4.328 5.470 -6.560 1.00 0.00 H +ATOM 250 HH22 ARG A 16 5.659 5.373 -7.669 1.00 0.00 H +ATOM 251 N PRO A 17 7.221 2.269 -0.859 1.00 0.00 N +ATOM 252 CA PRO A 17 6.705 2.983 0.318 1.00 0.00 C +ATOM 253 C PRO A 17 5.183 3.245 0.249 1.00 0.00 C +ATOM 254 O PRO A 17 4.594 3.146 -0.833 1.00 0.00 O +ATOM 255 CB PRO A 17 7.498 4.298 0.370 1.00 0.00 C +ATOM 256 CG PRO A 17 7.885 4.544 -1.084 1.00 0.00 C +ATOM 257 CD PRO A 17 8.134 3.131 -1.601 1.00 0.00 C +ATOM 258 HA PRO A 17 6.917 2.397 1.214 1.00 0.00 H +ATOM 259 HB2 PRO A 17 6.889 5.098 0.744 1.00 0.00 H +ATOM 260 HB3 PRO A 17 8.399 4.155 0.967 1.00 0.00 H +ATOM 261 HG2 PRO A 17 7.088 5.020 -1.623 1.00 0.00 H +ATOM 262 HG3 PRO A 17 8.772 5.172 -1.170 1.00 0.00 H +ATOM 263 HD2 PRO A 17 7.928 3.076 -2.653 1.00 0.00 H +ATOM 264 HD3 PRO A 17 9.163 2.835 -1.385 1.00 0.00 H +ATOM 265 N PRO A 18 4.535 3.602 1.379 1.00 0.00 N +ATOM 266 CA PRO A 18 3.098 3.869 1.415 1.00 0.00 C +ATOM 267 C PRO A 18 2.719 5.165 0.669 1.00 0.00 C +ATOM 268 O PRO A 18 3.544 6.071 0.542 1.00 0.00 O +ATOM 269 CB PRO A 18 2.731 3.957 2.902 1.00 0.00 C +ATOM 270 CG PRO A 18 4.030 4.415 3.560 1.00 0.00 C +ATOM 271 CD PRO A 18 5.106 3.739 2.712 1.00 0.00 C +ATOM 272 HA PRO A 18 2.577 3.026 0.967 1.00 0.00 H +ATOM 273 HB2 PRO A 18 1.947 4.671 3.062 1.00 0.00 H +ATOM 274 HB3 PRO A 18 2.465 2.968 3.271 1.00 0.00 H +ATOM 275 HG2 PRO A 18 4.125 5.483 3.523 1.00 0.00 H +ATOM 276 HG3 PRO A 18 4.086 4.106 4.605 1.00 0.00 H +ATOM 277 HD2 PRO A 18 5.991 4.345 2.679 1.00 0.00 H +ATOM 278 HD3 PRO A 18 5.326 2.749 3.115 1.00 0.00 H +ATOM 279 N PRO A 19 1.459 5.284 0.203 1.00 0.00 N +ATOM 280 CA PRO A 19 0.978 6.448 -0.545 1.00 0.00 C +ATOM 281 C PRO A 19 0.572 7.643 0.336 1.00 0.00 C +ATOM 282 O PRO A 19 0.552 8.771 -0.151 1.00 0.00 O +ATOM 283 CB PRO A 19 -0.242 5.929 -1.311 1.00 0.00 C +ATOM 284 CG PRO A 19 -0.801 4.845 -0.388 1.00 0.00 C +ATOM 285 CD PRO A 19 0.449 4.236 0.235 1.00 0.00 C +ATOM 286 HA PRO A 19 1.734 6.784 -1.254 1.00 0.00 H +ATOM 287 HB2 PRO A 19 -0.960 6.711 -1.465 1.00 0.00 H +ATOM 288 HB3 PRO A 19 0.084 5.476 -2.248 1.00 0.00 H +ATOM 289 HG2 PRO A 19 -1.437 5.271 0.364 1.00 0.00 H +ATOM 290 HG3 PRO A 19 -1.352 4.094 -0.947 1.00 0.00 H +ATOM 291 HD2 PRO A 19 0.254 3.936 1.246 1.00 0.00 H +ATOM 292 HD3 PRO A 19 0.782 3.395 -0.374 1.00 0.00 H +ATOM 293 N SER A 20 0.203 7.390 1.598 1.00 0.00 N +ATOM 294 CA SER A 20 -0.287 8.373 2.572 1.00 0.00 C +ATOM 295 C SER A 20 -0.081 7.848 3.993 1.00 0.00 C +ATOM 296 O SER A 20 -0.913 6.978 4.355 1.00 0.00 O +ATOM 297 CB SER A 20 -1.774 8.674 2.311 1.00 0.00 C +ATOM 298 OG SER A 20 -2.506 7.508 2.636 1.00 0.00 O +ATOM 299 OXT SER A 20 0.876 8.292 4.654 1.00 0.00 O +ATOM 300 H SER A 20 0.248 6.431 1.907 1.00 0.00 H +ATOM 301 HA SER A 20 0.288 9.295 2.477 1.00 0.00 H +ATOM 302 HB2 SER A 20 -2.096 9.492 2.926 1.00 0.00 H +ATOM 303 HB3 SER A 20 -1.935 8.957 1.270 1.00 0.00 H +ATOM 304 HG SER A 20 -1.946 7.163 3.425 1.00 0.00 H +TER 305 SER A 20 +ENDMDL +MODEL 36 +ATOM 1 N ASN A 1 -8.345 5.007 0.601 1.00 0.00 N +ATOM 2 CA ASN A 1 -8.415 4.187 -0.632 1.00 0.00 C +ATOM 3 C ASN A 1 -7.045 3.669 -1.059 1.00 0.00 C +ATOM 4 O ASN A 1 -6.816 2.479 -0.901 1.00 0.00 O +ATOM 5 CB ASN A 1 -9.197 4.893 -1.758 1.00 0.00 C +ATOM 6 CG ASN A 1 -10.643 5.166 -1.337 1.00 0.00 C +ATOM 7 OD1 ASN A 1 -10.996 4.994 -0.179 1.00 0.00 O +ATOM 8 ND2 ASN A 1 -11.503 5.612 -2.232 1.00 0.00 N +ATOM 9 H1 ASN A 1 -7.873 4.502 1.338 1.00 0.00 H +ATOM 10 H2 ASN A 1 -7.870 5.880 0.423 1.00 0.00 H +ATOM 11 H3 ASN A 1 -9.297 5.207 0.895 1.00 0.00 H +ATOM 12 HA ASN A 1 -8.987 3.291 -0.382 1.00 0.00 H +ATOM 13 HB2 ASN A 1 -8.717 5.825 -1.987 1.00 0.00 H +ATOM 14 HB3 ASN A 1 -9.208 4.248 -2.640 1.00 0.00 H +ATOM 15 HD21 ASN A 1 -11.263 5.791 -3.194 1.00 0.00 H +ATOM 16 HD22 ASN A 1 -12.436 5.760 -1.880 1.00 0.00 H +ATOM 17 N LEU A 2 -6.121 4.518 -1.533 1.00 0.00 N +ATOM 18 CA LEU A 2 -4.809 4.093 -2.051 1.00 0.00 C +ATOM 19 C LEU A 2 -4.031 3.175 -1.085 1.00 0.00 C +ATOM 20 O LEU A 2 -3.434 2.185 -1.506 1.00 0.00 O +ATOM 21 CB LEU A 2 -3.963 5.337 -2.400 1.00 0.00 C +ATOM 22 CG LEU A 2 -4.300 6.102 -3.694 1.00 0.00 C +ATOM 23 CD1 LEU A 2 -4.155 5.211 -4.929 1.00 0.00 C +ATOM 24 CD2 LEU A 2 -5.687 6.754 -3.691 1.00 0.00 C +ATOM 25 H LEU A 2 -6.348 5.491 -1.680 1.00 0.00 H +ATOM 26 HA LEU A 2 -4.967 3.507 -2.957 1.00 0.00 H +ATOM 27 HB2 LEU A 2 -4.062 6.029 -1.586 1.00 0.00 H +ATOM 28 HB3 LEU A 2 -2.931 5.009 -2.510 1.00 0.00 H +ATOM 29 HG LEU A 2 -3.568 6.906 -3.783 1.00 0.00 H +ATOM 30 HD11 LEU A 2 -3.189 4.708 -4.910 1.00 0.00 H +ATOM 31 HD12 LEU A 2 -4.950 4.465 -4.963 1.00 0.00 H +ATOM 32 HD13 LEU A 2 -4.210 5.824 -5.829 1.00 0.00 H +ATOM 33 HD21 LEU A 2 -6.467 5.996 -3.738 1.00 0.00 H +ATOM 34 HD22 LEU A 2 -5.803 7.376 -2.804 1.00 0.00 H +ATOM 35 HD23 LEU A 2 -5.778 7.392 -4.570 1.00 0.00 H +ATOM 36 N TYR A 3 -4.080 3.473 0.219 1.00 0.00 N +ATOM 37 CA TYR A 3 -3.443 2.669 1.265 1.00 0.00 C +ATOM 38 C TYR A 3 -3.970 1.221 1.326 1.00 0.00 C +ATOM 39 O TYR A 3 -3.220 0.316 1.685 1.00 0.00 O +ATOM 40 CB TYR A 3 -3.618 3.386 2.614 1.00 0.00 C +ATOM 41 CG TYR A 3 -2.451 3.202 3.563 1.00 0.00 C +ATOM 42 CD1 TYR A 3 -2.336 2.022 4.319 1.00 0.00 C +ATOM 43 CD2 TYR A 3 -1.484 4.220 3.700 1.00 0.00 C +ATOM 44 CE1 TYR A 3 -1.266 1.859 5.218 1.00 0.00 C +ATOM 45 CE2 TYR A 3 -0.422 4.070 4.610 1.00 0.00 C +ATOM 46 CZ TYR A 3 -0.314 2.887 5.374 1.00 0.00 C +ATOM 47 OH TYR A 3 0.689 2.738 6.281 1.00 0.00 O +ATOM 48 H TYR A 3 -4.533 4.332 0.484 1.00 0.00 H +ATOM 49 HA TYR A 3 -2.376 2.623 1.045 1.00 0.00 H +ATOM 50 HB2 TYR A 3 -3.738 4.435 2.426 1.00 0.00 H +ATOM 51 HB3 TYR A 3 -4.533 3.034 3.097 1.00 0.00 H +ATOM 52 HD1 TYR A 3 -3.073 1.242 4.208 1.00 0.00 H +ATOM 53 HD2 TYR A 3 -1.561 5.130 3.117 1.00 0.00 H +ATOM 54 HE1 TYR A 3 -1.168 0.961 5.808 1.00 0.00 H +ATOM 55 HE2 TYR A 3 0.304 4.861 4.721 1.00 0.00 H +ATOM 56 HH TYR A 3 1.122 3.570 6.477 1.00 0.00 H +ATOM 57 N ILE A 4 -5.233 0.982 0.940 1.00 0.00 N +ATOM 58 CA ILE A 4 -5.848 -0.352 0.877 1.00 0.00 C +ATOM 59 C ILE A 4 -5.163 -1.178 -0.214 1.00 0.00 C +ATOM 60 O ILE A 4 -4.701 -2.283 0.059 1.00 0.00 O +ATOM 61 CB ILE A 4 -7.377 -0.269 0.636 1.00 0.00 C +ATOM 62 CG1 ILE A 4 -8.108 0.711 1.586 1.00 0.00 C +ATOM 63 CG2 ILE A 4 -8.024 -1.663 0.703 1.00 0.00 C +ATOM 64 CD1 ILE A 4 -8.003 0.381 3.081 1.00 0.00 C +ATOM 65 H ILE A 4 -5.759 1.748 0.533 1.00 0.00 H +ATOM 66 HA ILE A 4 -5.674 -0.861 1.826 1.00 0.00 H +ATOM 67 HB ILE A 4 -7.542 0.099 -0.378 1.00 0.00 H +ATOM 68 HG12 ILE A 4 -7.695 1.690 1.433 1.00 0.00 H +ATOM 69 HG13 ILE A 4 -9.164 0.739 1.316 1.00 0.00 H +ATOM 70 HG21 ILE A 4 -7.622 -2.307 -0.080 1.00 0.00 H +ATOM 71 HG22 ILE A 4 -7.834 -2.127 1.670 1.00 0.00 H +ATOM 72 HG23 ILE A 4 -9.101 -1.579 0.552 1.00 0.00 H +ATOM 73 HD11 ILE A 4 -8.525 -0.550 3.300 1.00 0.00 H +ATOM 74 HD12 ILE A 4 -6.959 0.295 3.382 1.00 0.00 H +ATOM 75 HD13 ILE A 4 -8.466 1.184 3.656 1.00 0.00 H +ATOM 76 N GLN A 5 -5.052 -0.619 -1.428 1.00 0.00 N +ATOM 77 CA GLN A 5 -4.299 -1.207 -2.540 1.00 0.00 C +ATOM 78 C GLN A 5 -2.854 -1.505 -2.123 1.00 0.00 C +ATOM 79 O GLN A 5 -2.421 -2.646 -2.248 1.00 0.00 O +ATOM 80 CB GLN A 5 -4.364 -0.280 -3.767 1.00 0.00 C +ATOM 81 CG GLN A 5 -5.703 -0.407 -4.512 1.00 0.00 C +ATOM 82 CD GLN A 5 -5.997 0.832 -5.354 1.00 0.00 C +ATOM 83 OE1 GLN A 5 -6.747 1.710 -4.957 1.00 0.00 O +ATOM 84 NE2 GLN A 5 -5.409 0.958 -6.528 1.00 0.00 N +ATOM 85 H GLN A 5 -5.422 0.315 -1.546 1.00 0.00 H +ATOM 86 HA GLN A 5 -4.752 -2.163 -2.806 1.00 0.00 H +ATOM 87 HB2 GLN A 5 -4.243 0.735 -3.441 1.00 0.00 H +ATOM 88 HB3 GLN A 5 -3.560 -0.532 -4.460 1.00 0.00 H +ATOM 89 HG2 GLN A 5 -5.663 -1.264 -5.156 1.00 0.00 H +ATOM 90 HG3 GLN A 5 -6.516 -0.529 -3.797 1.00 0.00 H +ATOM 91 HE21 GLN A 5 -4.765 0.277 -6.894 1.00 0.00 H +ATOM 92 HE22 GLN A 5 -5.664 1.794 -7.028 1.00 0.00 H +ATOM 93 N TRP A 6 -2.139 -0.521 -1.559 1.00 0.00 N +ATOM 94 CA TRP A 6 -0.764 -0.708 -1.080 1.00 0.00 C +ATOM 95 C TRP A 6 -0.621 -1.821 -0.023 1.00 0.00 C +ATOM 96 O TRP A 6 0.282 -2.655 -0.123 1.00 0.00 O +ATOM 97 CB TRP A 6 -0.226 0.624 -0.556 1.00 0.00 C +ATOM 98 CG TRP A 6 1.177 0.552 -0.041 1.00 0.00 C +ATOM 99 CD1 TRP A 6 2.291 0.506 -0.805 1.00 0.00 C +ATOM 100 CD2 TRP A 6 1.636 0.472 1.346 1.00 0.00 C +ATOM 101 NE1 TRP A 6 3.401 0.391 0.008 1.00 0.00 N +ATOM 102 CE2 TRP A 6 3.059 0.386 1.338 1.00 0.00 C +ATOM 103 CE3 TRP A 6 1.004 0.469 2.607 1.00 0.00 C +ATOM 104 CZ2 TRP A 6 3.822 0.325 2.511 1.00 0.00 C +ATOM 105 CZ3 TRP A 6 1.758 0.393 3.795 1.00 0.00 C +ATOM 106 CH2 TRP A 6 3.163 0.337 3.750 1.00 0.00 C +ATOM 107 H TRP A 6 -2.566 0.400 -1.493 1.00 0.00 H +ATOM 108 HA TRP A 6 -0.148 -1.012 -1.929 1.00 0.00 H +ATOM 109 HB2 TRP A 6 -0.256 1.338 -1.356 1.00 0.00 H +ATOM 110 HB3 TRP A 6 -0.872 0.979 0.246 1.00 0.00 H +ATOM 111 HD1 TRP A 6 2.305 0.538 -1.888 1.00 0.00 H +ATOM 112 HE1 TRP A 6 4.371 0.349 -0.315 1.00 0.00 H +ATOM 113 HE3 TRP A 6 -0.074 0.535 2.657 1.00 0.00 H +ATOM 114 HZ2 TRP A 6 4.900 0.268 2.446 1.00 0.00 H +ATOM 115 HZ3 TRP A 6 1.258 0.397 4.753 1.00 0.00 H +ATOM 116 HH2 TRP A 6 3.733 0.301 4.667 1.00 0.00 H +ATOM 117 N LEU A 7 -1.520 -1.885 0.971 1.00 0.00 N +ATOM 118 CA LEU A 7 -1.546 -3.008 1.915 1.00 0.00 C +ATOM 119 C LEU A 7 -1.821 -4.345 1.210 1.00 0.00 C +ATOM 120 O LEU A 7 -1.199 -5.346 1.565 1.00 0.00 O +ATOM 121 CB LEU A 7 -2.568 -2.758 3.038 1.00 0.00 C +ATOM 122 CG LEU A 7 -2.110 -1.733 4.094 1.00 0.00 C +ATOM 123 CD1 LEU A 7 -3.291 -1.398 5.011 1.00 0.00 C +ATOM 124 CD2 LEU A 7 -0.966 -2.250 4.977 1.00 0.00 C +ATOM 125 H LEU A 7 -2.224 -1.155 1.053 1.00 0.00 H +ATOM 126 HA LEU A 7 -0.553 -3.100 2.352 1.00 0.00 H +ATOM 127 HB2 LEU A 7 -3.476 -2.399 2.593 1.00 0.00 H +ATOM 128 HB3 LEU A 7 -2.769 -3.700 3.549 1.00 0.00 H +ATOM 129 HG LEU A 7 -1.780 -0.823 3.598 1.00 0.00 H +ATOM 130 HD11 LEU A 7 -4.097 -0.955 4.426 1.00 0.00 H +ATOM 131 HD12 LEU A 7 -3.659 -2.303 5.495 1.00 0.00 H +ATOM 132 HD13 LEU A 7 -2.979 -0.690 5.779 1.00 0.00 H +ATOM 133 HD21 LEU A 7 -1.320 -3.059 5.617 1.00 0.00 H +ATOM 134 HD22 LEU A 7 -0.139 -2.614 4.372 1.00 0.00 H +ATOM 135 HD23 LEU A 7 -0.594 -1.440 5.602 1.00 0.00 H +ATOM 136 N LYS A 8 -2.683 -4.366 0.182 1.00 0.00 N +ATOM 137 CA LYS A 8 -3.015 -5.563 -0.608 1.00 0.00 C +ATOM 138 C LYS A 8 -1.848 -6.159 -1.409 1.00 0.00 C +ATOM 139 O LYS A 8 -1.978 -7.286 -1.891 1.00 0.00 O +ATOM 140 CB LYS A 8 -4.151 -5.246 -1.594 1.00 0.00 C +ATOM 141 CG LYS A 8 -5.168 -6.394 -1.663 1.00 0.00 C +ATOM 142 CD LYS A 8 -5.900 -6.429 -3.012 1.00 0.00 C +ATOM 143 CE LYS A 8 -5.280 -7.448 -3.983 1.00 0.00 C +ATOM 144 NZ LYS A 8 -3.846 -7.183 -4.280 1.00 0.00 N +ATOM 145 H LYS A 8 -3.170 -3.498 -0.036 1.00 0.00 H +ATOM 146 HA LYS A 8 -3.348 -6.330 0.093 1.00 0.00 H +ATOM 147 HB2 LYS A 8 -4.653 -4.353 -1.273 1.00 0.00 H +ATOM 148 HB3 LYS A 8 -3.719 -5.054 -2.577 1.00 0.00 H +ATOM 149 HG2 LYS A 8 -4.651 -7.324 -1.524 1.00 0.00 H +ATOM 150 HG3 LYS A 8 -5.894 -6.248 -0.863 1.00 0.00 H +ATOM 151 HD2 LYS A 8 -6.926 -6.694 -2.842 1.00 0.00 H +ATOM 152 HD3 LYS A 8 -5.919 -5.435 -3.463 1.00 0.00 H +ATOM 153 HE2 LYS A 8 -5.363 -8.426 -3.549 1.00 0.00 H +ATOM 154 HE3 LYS A 8 -5.865 -7.435 -4.907 1.00 0.00 H +ATOM 155 HZ1 LYS A 8 -3.724 -6.252 -4.654 1.00 0.00 H +ATOM 156 HZ2 LYS A 8 -3.274 -7.269 -3.437 1.00 0.00 H +ATOM 157 HZ3 LYS A 8 -3.500 -7.847 -4.959 1.00 0.00 H +ATOM 158 N ASP A 9 -0.761 -5.409 -1.606 1.00 0.00 N +ATOM 159 CA ASP A 9 0.518 -5.887 -2.146 1.00 0.00 C +ATOM 160 C ASP A 9 1.477 -6.413 -1.062 1.00 0.00 C +ATOM 161 O ASP A 9 2.507 -6.993 -1.402 1.00 0.00 O +ATOM 162 CB ASP A 9 1.203 -4.746 -2.916 1.00 0.00 C +ATOM 163 CG ASP A 9 0.565 -4.528 -4.288 1.00 0.00 C +ATOM 164 OD1 ASP A 9 0.935 -5.288 -5.208 1.00 0.00 O +ATOM 165 OD2 ASP A 9 -0.287 -3.621 -4.405 1.00 0.00 O +ATOM 166 H ASP A 9 -0.838 -4.424 -1.369 1.00 0.00 H +ATOM 167 HA ASP A 9 0.340 -6.709 -2.843 1.00 0.00 H +ATOM 168 HB2 ASP A 9 1.118 -3.841 -2.345 1.00 0.00 H +ATOM 169 HB3 ASP A 9 2.251 -4.998 -3.073 1.00 0.00 H +ATOM 170 N GLY A 10 1.166 -6.210 0.226 1.00 0.00 N +ATOM 171 CA GLY A 10 1.990 -6.622 1.367 1.00 0.00 C +ATOM 172 C GLY A 10 2.542 -5.464 2.208 1.00 0.00 C +ATOM 173 O GLY A 10 3.334 -5.711 3.115 1.00 0.00 O +ATOM 174 H GLY A 10 0.272 -5.773 0.437 1.00 0.00 H +ATOM 175 HA2 GLY A 10 1.386 -7.249 2.021 1.00 0.00 H +ATOM 176 HA3 GLY A 10 2.837 -7.217 1.024 1.00 0.00 H +ATOM 177 N GLY A 11 2.159 -4.210 1.925 1.00 0.00 N +ATOM 178 CA GLY A 11 2.661 -3.046 2.655 1.00 0.00 C +ATOM 179 C GLY A 11 4.200 -2.979 2.631 1.00 0.00 C +ATOM 180 O GLY A 11 4.782 -3.116 1.550 1.00 0.00 O +ATOM 181 H GLY A 11 1.535 -4.045 1.144 1.00 0.00 H +ATOM 182 HA2 GLY A 11 2.267 -2.143 2.192 1.00 0.00 H +ATOM 183 HA3 GLY A 11 2.290 -3.099 3.676 1.00 0.00 H +ATOM 184 N PRO A 12 4.884 -2.799 3.785 1.00 0.00 N +ATOM 185 CA PRO A 12 6.347 -2.733 3.841 1.00 0.00 C +ATOM 186 C PRO A 12 7.047 -3.937 3.195 1.00 0.00 C +ATOM 187 O PRO A 12 8.110 -3.775 2.595 1.00 0.00 O +ATOM 188 CB PRO A 12 6.717 -2.624 5.327 1.00 0.00 C +ATOM 189 CG PRO A 12 5.445 -2.101 5.991 1.00 0.00 C +ATOM 190 CD PRO A 12 4.334 -2.698 5.130 1.00 0.00 C +ATOM 191 HA PRO A 12 6.671 -1.826 3.329 1.00 0.00 H +ATOM 192 HB2 PRO A 12 6.987 -3.584 5.724 1.00 0.00 H +ATOM 193 HB3 PRO A 12 7.555 -1.942 5.483 1.00 0.00 H +ATOM 194 HG2 PRO A 12 5.372 -2.442 7.006 1.00 0.00 H +ATOM 195 HG3 PRO A 12 5.418 -1.013 5.926 1.00 0.00 H +ATOM 196 HD2 PRO A 12 4.059 -3.669 5.495 1.00 0.00 H +ATOM 197 HD3 PRO A 12 3.452 -2.058 5.170 1.00 0.00 H +ATOM 198 N SER A 13 6.446 -5.136 3.263 1.00 0.00 N +ATOM 199 CA SER A 13 7.011 -6.363 2.690 1.00 0.00 C +ATOM 200 C SER A 13 7.149 -6.316 1.165 1.00 0.00 C +ATOM 201 O SER A 13 7.983 -7.035 0.623 1.00 0.00 O +ATOM 202 CB SER A 13 6.153 -7.573 3.073 1.00 0.00 C +ATOM 203 OG SER A 13 6.053 -7.692 4.480 1.00 0.00 O +ATOM 204 H SER A 13 5.546 -5.219 3.725 1.00 0.00 H +ATOM 205 HA SER A 13 8.010 -6.507 3.102 1.00 0.00 H +ATOM 206 HB2 SER A 13 5.170 -7.453 2.659 1.00 0.00 H +ATOM 207 HB3 SER A 13 6.605 -8.481 2.668 1.00 0.00 H +ATOM 208 HG SER A 13 6.911 -7.936 4.835 1.00 0.00 H +ATOM 209 N SER A 14 6.381 -5.460 0.473 1.00 0.00 N +ATOM 210 CA SER A 14 6.506 -5.250 -0.977 1.00 0.00 C +ATOM 211 C SER A 14 7.628 -4.264 -1.351 1.00 0.00 C +ATOM 212 O SER A 14 7.865 -4.012 -2.530 1.00 0.00 O +ATOM 213 CB SER A 14 5.167 -4.770 -1.558 1.00 0.00 C +ATOM 214 OG SER A 14 4.894 -5.465 -2.757 1.00 0.00 O +ATOM 215 H SER A 14 5.734 -4.866 0.986 1.00 0.00 H +ATOM 216 HA SER A 14 6.748 -6.210 -1.440 1.00 0.00 H +ATOM 217 HB2 SER A 14 4.383 -4.958 -0.850 1.00 0.00 H +ATOM 218 HB3 SER A 14 5.209 -3.700 -1.766 1.00 0.00 H +ATOM 219 HG SER A 14 3.943 -5.622 -2.814 1.00 0.00 H +ATOM 220 N GLY A 15 8.305 -3.650 -0.369 1.00 0.00 N +ATOM 221 CA GLY A 15 9.425 -2.723 -0.566 1.00 0.00 C +ATOM 222 C GLY A 15 9.041 -1.328 -1.080 1.00 0.00 C +ATOM 223 O GLY A 15 9.718 -0.356 -0.750 1.00 0.00 O +ATOM 224 H GLY A 15 8.061 -3.868 0.595 1.00 0.00 H +ATOM 225 HA2 GLY A 15 9.946 -2.602 0.385 1.00 0.00 H +ATOM 226 HA3 GLY A 15 10.124 -3.163 -1.277 1.00 0.00 H +ATOM 227 N ARG A 16 7.963 -1.202 -1.869 1.00 0.00 N +ATOM 228 CA ARG A 16 7.437 0.089 -2.339 1.00 0.00 C +ATOM 229 C ARG A 16 6.901 0.917 -1.155 1.00 0.00 C +ATOM 230 O ARG A 16 6.143 0.369 -0.352 1.00 0.00 O +ATOM 231 CB ARG A 16 6.345 -0.153 -3.399 1.00 0.00 C +ATOM 232 CG ARG A 16 6.052 1.130 -4.193 1.00 0.00 C +ATOM 233 CD ARG A 16 5.045 0.908 -5.333 1.00 0.00 C +ATOM 234 NE ARG A 16 5.431 1.681 -6.532 1.00 0.00 N +ATOM 235 CZ ARG A 16 5.978 1.218 -7.653 1.00 0.00 C +ATOM 236 NH1 ARG A 16 6.157 -0.064 -7.871 1.00 0.00 N +ATOM 237 NH2 ARG A 16 6.370 2.053 -8.588 1.00 0.00 N +ATOM 238 H ARG A 16 7.514 -2.068 -2.147 1.00 0.00 H +ATOM 239 HA ARG A 16 8.272 0.615 -2.801 1.00 0.00 H +ATOM 240 HB2 ARG A 16 6.677 -0.916 -4.076 1.00 0.00 H +ATOM 241 HB3 ARG A 16 5.432 -0.513 -2.923 1.00 0.00 H +ATOM 242 HG2 ARG A 16 5.653 1.865 -3.521 1.00 0.00 H +ATOM 243 HG3 ARG A 16 6.992 1.485 -4.616 1.00 0.00 H +ATOM 244 HD2 ARG A 16 5.018 -0.136 -5.581 1.00 0.00 H +ATOM 245 HD3 ARG A 16 4.058 1.230 -4.997 1.00 0.00 H +ATOM 246 HE ARG A 16 5.320 2.679 -6.467 1.00 0.00 H +ATOM 247 HH11 ARG A 16 5.847 -0.713 -7.171 1.00 0.00 H +ATOM 248 HH12 ARG A 16 6.562 -0.400 -8.725 1.00 0.00 H +ATOM 249 HH21 ARG A 16 6.273 3.046 -8.463 1.00 0.00 H +ATOM 250 HH22 ARG A 16 6.787 1.699 -9.428 1.00 0.00 H +ATOM 251 N PRO A 17 7.223 2.224 -1.040 1.00 0.00 N +ATOM 252 CA PRO A 17 6.725 3.069 0.048 1.00 0.00 C +ATOM 253 C PRO A 17 5.198 3.267 -0.012 1.00 0.00 C +ATOM 254 O PRO A 17 4.600 3.082 -1.075 1.00 0.00 O +ATOM 255 CB PRO A 17 7.472 4.402 -0.100 1.00 0.00 C +ATOM 256 CG PRO A 17 7.803 4.461 -1.589 1.00 0.00 C +ATOM 257 CD PRO A 17 8.084 2.999 -1.923 1.00 0.00 C +ATOM 258 HA PRO A 17 6.988 2.611 1.003 1.00 0.00 H +ATOM 259 HB2 PRO A 17 6.847 5.226 0.187 1.00 0.00 H +ATOM 260 HB3 PRO A 17 8.397 4.366 0.477 1.00 0.00 H +ATOM 261 HG2 PRO A 17 6.973 4.836 -2.156 1.00 0.00 H +ATOM 262 HG3 PRO A 17 8.662 5.098 -1.791 1.00 0.00 H +ATOM 263 HD2 PRO A 17 7.847 2.797 -2.950 1.00 0.00 H +ATOM 264 HD3 PRO A 17 9.128 2.763 -1.708 1.00 0.00 H +ATOM 265 N PRO A 18 4.558 3.663 1.109 1.00 0.00 N +ATOM 266 CA PRO A 18 3.118 3.895 1.157 1.00 0.00 C +ATOM 267 C PRO A 18 2.704 5.139 0.350 1.00 0.00 C +ATOM 268 O PRO A 18 3.494 6.075 0.206 1.00 0.00 O +ATOM 269 CB PRO A 18 2.775 4.055 2.641 1.00 0.00 C +ATOM 270 CG PRO A 18 4.071 4.582 3.251 1.00 0.00 C +ATOM 271 CD PRO A 18 5.151 3.896 2.419 1.00 0.00 C +ATOM 272 HA PRO A 18 2.608 3.020 0.760 1.00 0.00 H +ATOM 273 HB2 PRO A 18 1.974 4.756 2.776 1.00 0.00 H +ATOM 274 HB3 PRO A 18 2.543 3.080 3.070 1.00 0.00 H +ATOM 275 HG2 PRO A 18 4.134 5.649 3.159 1.00 0.00 H +ATOM 276 HG3 PRO A 18 4.154 4.332 4.308 1.00 0.00 H +ATOM 277 HD2 PRO A 18 6.013 4.529 2.331 1.00 0.00 H +ATOM 278 HD3 PRO A 18 5.412 2.939 2.872 1.00 0.00 H +ATOM 279 N PRO A 19 1.454 5.184 -0.142 1.00 0.00 N +ATOM 280 CA PRO A 19 0.910 6.335 -0.849 1.00 0.00 C +ATOM 281 C PRO A 19 0.561 7.461 0.136 1.00 0.00 C +ATOM 282 O PRO A 19 -0.109 7.228 1.144 1.00 0.00 O +ATOM 283 CB PRO A 19 -0.325 5.804 -1.578 1.00 0.00 C +ATOM 284 CG PRO A 19 -0.816 4.675 -0.671 1.00 0.00 C +ATOM 285 CD PRO A 19 0.464 4.121 -0.057 1.00 0.00 C +ATOM 286 HA PRO A 19 1.631 6.703 -1.581 1.00 0.00 H +ATOM 287 HB2 PRO A 19 -1.071 6.569 -1.676 1.00 0.00 H +ATOM 288 HB3 PRO A 19 -0.024 5.388 -2.541 1.00 0.00 H +ATOM 289 HG2 PRO A 19 -1.472 5.053 0.089 1.00 0.00 H +ATOM 290 HG3 PRO A 19 -1.335 3.905 -1.236 1.00 0.00 H +ATOM 291 HD2 PRO A 19 0.297 3.850 0.968 1.00 0.00 H +ATOM 292 HD3 PRO A 19 0.811 3.272 -0.645 1.00 0.00 H +ATOM 293 N SER A 20 1.026 8.673 -0.178 1.00 0.00 N +ATOM 294 CA SER A 20 0.698 9.933 0.494 1.00 0.00 C +ATOM 295 C SER A 20 -0.638 10.528 0.034 1.00 0.00 C +ATOM 296 O SER A 20 -1.052 10.270 -1.120 1.00 0.00 O +ATOM 297 CB SER A 20 1.845 10.928 0.290 1.00 0.00 C +ATOM 298 OG SER A 20 2.324 10.900 -1.046 1.00 0.00 O +ATOM 299 OXT SER A 20 -1.231 11.239 0.875 1.00 0.00 O +ATOM 300 H SER A 20 1.554 8.807 -1.028 1.00 0.00 H +ATOM 301 HA SER A 20 0.586 9.752 1.561 1.00 0.00 H +ATOM 302 HB2 SER A 20 1.493 11.917 0.514 1.00 0.00 H +ATOM 303 HB3 SER A 20 2.664 10.654 0.959 1.00 0.00 H +ATOM 304 HG SER A 20 2.939 11.625 -1.177 1.00 0.00 H +TER 305 SER A 20 +ENDMDL +MODEL 37 +ATOM 1 N ASN A 1 -5.798 7.479 0.401 1.00 0.00 N +ATOM 2 CA ASN A 1 -6.588 7.022 -0.767 1.00 0.00 C +ATOM 3 C ASN A 1 -6.199 5.613 -1.207 1.00 0.00 C +ATOM 4 O ASN A 1 -7.021 4.713 -1.096 1.00 0.00 O +ATOM 5 CB ASN A 1 -6.557 8.030 -1.932 1.00 0.00 C +ATOM 6 CG ASN A 1 -7.956 8.586 -2.147 1.00 0.00 C +ATOM 7 OD1 ASN A 1 -8.343 9.541 -1.498 1.00 0.00 O +ATOM 8 ND2 ASN A 1 -8.767 7.973 -2.991 1.00 0.00 N +ATOM 9 H1 ASN A 1 -5.816 6.777 1.127 1.00 0.00 H +ATOM 10 H2 ASN A 1 -4.838 7.655 0.131 1.00 0.00 H +ATOM 11 H3 ASN A 1 -6.193 8.335 0.767 1.00 0.00 H +ATOM 12 HA ASN A 1 -7.627 6.938 -0.443 1.00 0.00 H +ATOM 13 HB2 ASN A 1 -5.884 8.832 -1.696 1.00 0.00 H +ATOM 14 HB3 ASN A 1 -6.214 7.562 -2.856 1.00 0.00 H +ATOM 15 HD21 ASN A 1 -8.509 7.171 -3.541 1.00 0.00 H +ATOM 16 HD22 ASN A 1 -9.676 8.400 -3.071 1.00 0.00 H +ATOM 17 N LEU A 2 -4.963 5.401 -1.676 1.00 0.00 N +ATOM 18 CA LEU A 2 -4.527 4.127 -2.262 1.00 0.00 C +ATOM 19 C LEU A 2 -4.002 3.108 -1.223 1.00 0.00 C +ATOM 20 O LEU A 2 -3.490 2.051 -1.588 1.00 0.00 O +ATOM 21 CB LEU A 2 -3.515 4.448 -3.386 1.00 0.00 C +ATOM 22 CG LEU A 2 -3.518 3.386 -4.508 1.00 0.00 C +ATOM 23 CD1 LEU A 2 -3.924 3.985 -5.857 1.00 0.00 C +ATOM 24 CD2 LEU A 2 -2.165 2.687 -4.652 1.00 0.00 C +ATOM 25 H LEU A 2 -4.310 6.167 -1.771 1.00 0.00 H +ATOM 26 HA LEU A 2 -5.403 3.668 -2.726 1.00 0.00 H +ATOM 27 HB2 LEU A 2 -3.766 5.400 -3.813 1.00 0.00 H +ATOM 28 HB3 LEU A 2 -2.516 4.554 -2.964 1.00 0.00 H +ATOM 29 HG LEU A 2 -4.262 2.639 -4.267 1.00 0.00 H +ATOM 30 HD11 LEU A 2 -4.932 4.396 -5.784 1.00 0.00 H +ATOM 31 HD12 LEU A 2 -3.228 4.767 -6.155 1.00 0.00 H +ATOM 32 HD13 LEU A 2 -3.936 3.199 -6.614 1.00 0.00 H +ATOM 33 HD21 LEU A 2 -1.412 3.394 -5.001 1.00 0.00 H +ATOM 34 HD22 LEU A 2 -1.857 2.272 -3.692 1.00 0.00 H +ATOM 35 HD23 LEU A 2 -2.253 1.872 -5.370 1.00 0.00 H +ATOM 36 N TYR A 3 -4.143 3.405 0.077 1.00 0.00 N +ATOM 37 CA TYR A 3 -3.594 2.622 1.192 1.00 0.00 C +ATOM 38 C TYR A 3 -4.041 1.158 1.165 1.00 0.00 C +ATOM 39 O TYR A 3 -3.239 0.261 1.408 1.00 0.00 O +ATOM 40 CB TYR A 3 -3.976 3.276 2.532 1.00 0.00 C +ATOM 41 CG TYR A 3 -2.857 3.224 3.553 1.00 0.00 C +ATOM 42 CD1 TYR A 3 -2.508 2.017 4.182 1.00 0.00 C +ATOM 43 CD2 TYR A 3 -2.132 4.392 3.837 1.00 0.00 C +ATOM 44 CE1 TYR A 3 -1.412 1.972 5.068 1.00 0.00 C +ATOM 45 CE2 TYR A 3 -1.039 4.360 4.722 1.00 0.00 C +ATOM 46 CZ TYR A 3 -0.662 3.140 5.323 1.00 0.00 C +ATOM 47 OH TYR A 3 0.439 3.086 6.118 1.00 0.00 O +ATOM 48 H TYR A 3 -4.628 4.258 0.296 1.00 0.00 H +ATOM 49 HA TYR A 3 -2.507 2.635 1.105 1.00 0.00 H +ATOM 50 HB2 TYR A 3 -4.228 4.303 2.352 1.00 0.00 H +ATOM 51 HB3 TYR A 3 -4.863 2.793 2.949 1.00 0.00 H +ATOM 52 HD1 TYR A 3 -3.069 1.122 3.968 1.00 0.00 H +ATOM 53 HD2 TYR A 3 -2.417 5.309 3.354 1.00 0.00 H +ATOM 54 HE1 TYR A 3 -1.123 1.050 5.550 1.00 0.00 H +ATOM 55 HE2 TYR A 3 -0.485 5.260 4.942 1.00 0.00 H +ATOM 56 HH TYR A 3 0.954 3.895 6.046 1.00 0.00 H +ATOM 57 N ILE A 4 -5.313 0.913 0.819 1.00 0.00 N +ATOM 58 CA ILE A 4 -5.875 -0.433 0.687 1.00 0.00 C +ATOM 59 C ILE A 4 -5.150 -1.213 -0.419 1.00 0.00 C +ATOM 60 O ILE A 4 -4.782 -2.367 -0.218 1.00 0.00 O +ATOM 61 CB ILE A 4 -7.404 -0.376 0.441 1.00 0.00 C +ATOM 62 CG1 ILE A 4 -8.133 0.538 1.461 1.00 0.00 C +ATOM 63 CG2 ILE A 4 -7.996 -1.794 0.489 1.00 0.00 C +ATOM 64 CD1 ILE A 4 -8.579 1.867 0.834 1.00 0.00 C +ATOM 65 H ILE A 4 -5.909 1.712 0.664 1.00 0.00 H +ATOM 66 HA ILE A 4 -5.703 -0.963 1.625 1.00 0.00 H +ATOM 67 HB ILE A 4 -7.582 0.014 -0.564 1.00 0.00 H +ATOM 68 HG12 ILE A 4 -8.999 0.022 1.830 1.00 0.00 H +ATOM 69 HG13 ILE A 4 -7.484 0.744 2.314 1.00 0.00 H +ATOM 70 HG21 ILE A 4 -7.610 -2.395 -0.333 1.00 0.00 H +ATOM 71 HG22 ILE A 4 -7.734 -2.278 1.431 1.00 0.00 H +ATOM 72 HG23 ILE A 4 -9.082 -1.752 0.406 1.00 0.00 H +ATOM 73 HD11 ILE A 4 -7.781 2.293 0.225 1.00 0.00 H +ATOM 74 HD12 ILE A 4 -9.456 1.698 0.209 1.00 0.00 H +ATOM 75 HD13 ILE A 4 -8.839 2.575 1.623 1.00 0.00 H +ATOM 76 N GLN A 5 -4.916 -0.587 -1.582 1.00 0.00 N +ATOM 77 CA GLN A 5 -4.177 -1.207 -2.684 1.00 0.00 C +ATOM 78 C GLN A 5 -2.695 -1.416 -2.351 1.00 0.00 C +ATOM 79 O GLN A 5 -2.131 -2.431 -2.746 1.00 0.00 O +ATOM 80 CB GLN A 5 -4.323 -0.379 -3.966 1.00 0.00 C +ATOM 81 CG GLN A 5 -5.742 -0.393 -4.567 1.00 0.00 C +ATOM 82 CD GLN A 5 -6.425 0.974 -4.548 1.00 0.00 C +ATOM 83 OE1 GLN A 5 -6.408 1.714 -5.514 1.00 0.00 O +ATOM 84 NE2 GLN A 5 -7.071 1.361 -3.464 1.00 0.00 N +ATOM 85 H GLN A 5 -5.081 0.408 -1.625 1.00 0.00 H +ATOM 86 HA GLN A 5 -4.585 -2.193 -2.872 1.00 0.00 H +ATOM 87 HB2 GLN A 5 -4.062 0.637 -3.742 1.00 0.00 H +ATOM 88 HB3 GLN A 5 -3.636 -0.777 -4.715 1.00 0.00 H +ATOM 89 HG2 GLN A 5 -5.677 -0.726 -5.585 1.00 0.00 H +ATOM 90 HG3 GLN A 5 -6.369 -1.116 -4.046 1.00 0.00 H +ATOM 91 HE21 GLN A 5 -7.192 0.797 -2.646 1.00 0.00 H +ATOM 92 HE22 GLN A 5 -7.525 2.252 -3.586 1.00 0.00 H +ATOM 93 N TRP A 6 -2.077 -0.504 -1.595 1.00 0.00 N +ATOM 94 CA TRP A 6 -0.720 -0.701 -1.084 1.00 0.00 C +ATOM 95 C TRP A 6 -0.636 -1.874 -0.089 1.00 0.00 C +ATOM 96 O TRP A 6 0.249 -2.721 -0.206 1.00 0.00 O +ATOM 97 CB TRP A 6 -0.212 0.612 -0.482 1.00 0.00 C +ATOM 98 CG TRP A 6 1.182 0.533 0.054 1.00 0.00 C +ATOM 99 CD1 TRP A 6 2.314 0.521 -0.685 1.00 0.00 C +ATOM 100 CD2 TRP A 6 1.608 0.404 1.443 1.00 0.00 C +ATOM 101 NE1 TRP A 6 3.408 0.380 0.147 1.00 0.00 N +ATOM 102 CE2 TRP A 6 3.031 0.317 1.470 1.00 0.00 C +ATOM 103 CE3 TRP A 6 0.937 0.364 2.685 1.00 0.00 C +ATOM 104 CZ2 TRP A 6 3.755 0.214 2.665 1.00 0.00 C +ATOM 105 CZ3 TRP A 6 1.654 0.247 3.892 1.00 0.00 C +ATOM 106 CH2 TRP A 6 3.057 0.179 3.883 1.00 0.00 C +ATOM 107 H TRP A 6 -2.581 0.349 -1.361 1.00 0.00 H +ATOM 108 HA TRP A 6 -0.070 -0.958 -1.922 1.00 0.00 H +ATOM 109 HB2 TRP A 6 -0.239 1.366 -1.245 1.00 0.00 H +ATOM 110 HB3 TRP A 6 -0.876 0.919 0.324 1.00 0.00 H +ATOM 111 HD1 TRP A 6 2.354 0.591 -1.764 1.00 0.00 H +ATOM 112 HE1 TRP A 6 4.380 0.346 -0.171 1.00 0.00 H +ATOM 113 HE3 TRP A 6 -0.140 0.441 2.699 1.00 0.00 H +ATOM 114 HZ2 TRP A 6 4.832 0.162 2.632 1.00 0.00 H +ATOM 115 HZ3 TRP A 6 1.123 0.229 4.833 1.00 0.00 H +ATOM 116 HH2 TRP A 6 3.599 0.110 4.815 1.00 0.00 H +ATOM 117 N LEU A 7 -1.578 -1.972 0.862 1.00 0.00 N +ATOM 118 CA LEU A 7 -1.635 -3.091 1.807 1.00 0.00 C +ATOM 119 C LEU A 7 -1.938 -4.442 1.140 1.00 0.00 C +ATOM 120 O LEU A 7 -1.409 -5.445 1.613 1.00 0.00 O +ATOM 121 CB LEU A 7 -2.649 -2.806 2.929 1.00 0.00 C +ATOM 122 CG LEU A 7 -2.162 -1.784 3.974 1.00 0.00 C +ATOM 123 CD1 LEU A 7 -3.325 -1.421 4.903 1.00 0.00 C +ATOM 124 CD2 LEU A 7 -1.020 -2.318 4.848 1.00 0.00 C +ATOM 125 H LEU A 7 -2.263 -1.224 0.945 1.00 0.00 H +ATOM 126 HA LEU A 7 -0.647 -3.201 2.250 1.00 0.00 H +ATOM 127 HB2 LEU A 7 -3.548 -2.428 2.482 1.00 0.00 H +ATOM 128 HB3 LEU A 7 -2.870 -3.739 3.450 1.00 0.00 H +ATOM 129 HG LEU A 7 -1.826 -0.882 3.469 1.00 0.00 H +ATOM 130 HD11 LEU A 7 -4.144 -0.999 4.320 1.00 0.00 H +ATOM 131 HD12 LEU A 7 -3.677 -2.310 5.426 1.00 0.00 H +ATOM 132 HD13 LEU A 7 -2.996 -0.686 5.638 1.00 0.00 H +ATOM 133 HD21 LEU A 7 -1.350 -3.197 5.402 1.00 0.00 H +ATOM 134 HD22 LEU A 7 -0.162 -2.584 4.235 1.00 0.00 H +ATOM 135 HD23 LEU A 7 -0.705 -1.549 5.553 1.00 0.00 H +ATOM 136 N LYS A 8 -2.727 -4.482 0.050 1.00 0.00 N +ATOM 137 CA LYS A 8 -3.029 -5.712 -0.710 1.00 0.00 C +ATOM 138 C LYS A 8 -1.781 -6.486 -1.146 1.00 0.00 C +ATOM 139 O LYS A 8 -1.824 -7.713 -1.157 1.00 0.00 O +ATOM 140 CB LYS A 8 -3.877 -5.403 -1.959 1.00 0.00 C +ATOM 141 CG LYS A 8 -5.382 -5.303 -1.680 1.00 0.00 C +ATOM 142 CD LYS A 8 -6.121 -4.820 -2.936 1.00 0.00 C +ATOM 143 CE LYS A 8 -7.604 -4.569 -2.640 1.00 0.00 C +ATOM 144 NZ LYS A 8 -8.094 -3.337 -3.303 1.00 0.00 N +ATOM 145 H LYS A 8 -3.183 -3.613 -0.220 1.00 0.00 H +ATOM 146 HA LYS A 8 -3.587 -6.394 -0.066 1.00 0.00 H +ATOM 147 HB2 LYS A 8 -3.547 -4.468 -2.369 1.00 0.00 H +ATOM 148 HB3 LYS A 8 -3.735 -6.199 -2.691 1.00 0.00 H +ATOM 149 HG2 LYS A 8 -5.755 -6.268 -1.398 1.00 0.00 H +ATOM 150 HG3 LYS A 8 -5.561 -4.609 -0.862 1.00 0.00 H +ATOM 151 HD2 LYS A 8 -5.672 -3.907 -3.278 1.00 0.00 H +ATOM 152 HD3 LYS A 8 -6.030 -5.569 -3.726 1.00 0.00 H +ATOM 153 HE2 LYS A 8 -8.176 -5.405 -2.994 1.00 0.00 H +ATOM 154 HE3 LYS A 8 -7.739 -4.483 -1.558 1.00 0.00 H +ATOM 155 HZ1 LYS A 8 -7.671 -2.528 -2.870 1.00 0.00 H +ATOM 156 HZ2 LYS A 8 -7.852 -3.348 -4.286 1.00 0.00 H +ATOM 157 HZ3 LYS A 8 -9.100 -3.265 -3.217 1.00 0.00 H +ATOM 158 N ASP A 9 -0.706 -5.789 -1.524 1.00 0.00 N +ATOM 159 CA ASP A 9 0.553 -6.406 -1.949 1.00 0.00 C +ATOM 160 C ASP A 9 1.294 -7.047 -0.758 1.00 0.00 C +ATOM 161 O ASP A 9 1.606 -8.237 -0.786 1.00 0.00 O +ATOM 162 CB ASP A 9 1.394 -5.344 -2.675 1.00 0.00 C +ATOM 163 CG ASP A 9 2.486 -5.969 -3.549 1.00 0.00 C +ATOM 164 OD1 ASP A 9 3.523 -6.378 -2.986 1.00 0.00 O +ATOM 165 OD2 ASP A 9 2.263 -6.015 -4.778 1.00 0.00 O +ATOM 166 H ASP A 9 -0.768 -4.780 -1.507 1.00 0.00 H +ATOM 167 HA ASP A 9 0.326 -7.201 -2.662 1.00 0.00 H +ATOM 168 HB2 ASP A 9 0.747 -4.757 -3.298 1.00 0.00 H +ATOM 169 HB3 ASP A 9 1.836 -4.661 -1.952 1.00 0.00 H +ATOM 170 N GLY A 10 1.509 -6.275 0.317 1.00 0.00 N +ATOM 171 CA GLY A 10 2.156 -6.749 1.545 1.00 0.00 C +ATOM 172 C GLY A 10 2.683 -5.650 2.474 1.00 0.00 C +ATOM 173 O GLY A 10 3.675 -5.864 3.179 1.00 0.00 O +ATOM 174 H GLY A 10 1.256 -5.305 0.206 1.00 0.00 H +ATOM 175 HA2 GLY A 10 1.435 -7.344 2.107 1.00 0.00 H +ATOM 176 HA3 GLY A 10 2.991 -7.399 1.279 1.00 0.00 H +ATOM 177 N GLY A 11 2.059 -4.463 2.477 1.00 0.00 N +ATOM 178 CA GLY A 11 2.499 -3.312 3.269 1.00 0.00 C +ATOM 179 C GLY A 11 3.991 -2.994 3.056 1.00 0.00 C +ATOM 180 O GLY A 11 4.434 -2.979 1.903 1.00 0.00 O +ATOM 181 H GLY A 11 1.253 -4.352 1.879 1.00 0.00 H +ATOM 182 HA2 GLY A 11 1.923 -2.437 2.974 1.00 0.00 H +ATOM 183 HA3 GLY A 11 2.296 -3.527 4.316 1.00 0.00 H +ATOM 184 N PRO A 12 4.793 -2.762 4.118 1.00 0.00 N +ATOM 185 CA PRO A 12 6.229 -2.487 3.995 1.00 0.00 C +ATOM 186 C PRO A 12 7.028 -3.585 3.274 1.00 0.00 C +ATOM 187 O PRO A 12 8.076 -3.294 2.700 1.00 0.00 O +ATOM 188 CB PRO A 12 6.752 -2.306 5.426 1.00 0.00 C +ATOM 189 CG PRO A 12 5.507 -2.017 6.260 1.00 0.00 C +ATOM 190 CD PRO A 12 4.401 -2.765 5.520 1.00 0.00 C +ATOM 191 HA PRO A 12 6.358 -1.552 3.450 1.00 0.00 H +ATOM 192 HB2 PRO A 12 7.237 -3.200 5.768 1.00 0.00 H +ATOM 193 HB3 PRO A 12 7.469 -1.487 5.487 1.00 0.00 H +ATOM 194 HG2 PRO A 12 5.620 -2.390 7.260 1.00 0.00 H +ATOM 195 HG3 PRO A 12 5.297 -0.947 6.247 1.00 0.00 H +ATOM 196 HD2 PRO A 12 4.322 -3.771 5.884 1.00 0.00 H +ATOM 197 HD3 PRO A 12 3.446 -2.266 5.679 1.00 0.00 H +ATOM 198 N SER A 13 6.542 -4.835 3.272 1.00 0.00 N +ATOM 199 CA SER A 13 7.225 -5.960 2.613 1.00 0.00 C +ATOM 200 C SER A 13 7.090 -5.923 1.084 1.00 0.00 C +ATOM 201 O SER A 13 7.812 -6.639 0.397 1.00 0.00 O +ATOM 202 CB SER A 13 6.715 -7.304 3.143 1.00 0.00 C +ATOM 203 OG SER A 13 6.868 -7.384 4.548 1.00 0.00 O +ATOM 204 H SER A 13 5.615 -5.000 3.652 1.00 0.00 H +ATOM 205 HA SER A 13 8.289 -5.899 2.846 1.00 0.00 H +ATOM 206 HB2 SER A 13 5.676 -7.407 2.896 1.00 0.00 H +ATOM 207 HB3 SER A 13 7.295 -8.107 2.686 1.00 0.00 H +ATOM 208 HG SER A 13 6.175 -6.863 4.961 1.00 0.00 H +ATOM 209 N SER A 14 6.215 -5.060 0.547 1.00 0.00 N +ATOM 210 CA SER A 14 5.985 -4.853 -0.893 1.00 0.00 C +ATOM 211 C SER A 14 7.162 -4.169 -1.609 1.00 0.00 C +ATOM 212 O SER A 14 7.144 -4.019 -2.829 1.00 0.00 O +ATOM 213 CB SER A 14 4.753 -3.963 -1.131 1.00 0.00 C +ATOM 214 OG SER A 14 3.717 -4.170 -0.195 1.00 0.00 O +ATOM 215 H SER A 14 5.645 -4.521 1.187 1.00 0.00 H +ATOM 216 HA SER A 14 5.802 -5.822 -1.361 1.00 0.00 H +ATOM 217 HB2 SER A 14 5.060 -2.936 -1.075 1.00 0.00 H +ATOM 218 HB3 SER A 14 4.378 -4.145 -2.137 1.00 0.00 H +ATOM 219 HG SER A 14 3.940 -3.652 0.618 1.00 0.00 H +ATOM 220 N GLY A 15 8.149 -3.648 -0.867 1.00 0.00 N +ATOM 221 CA GLY A 15 9.308 -2.922 -1.397 1.00 0.00 C +ATOM 222 C GLY A 15 9.025 -1.456 -1.756 1.00 0.00 C +ATOM 223 O GLY A 15 9.889 -0.604 -1.556 1.00 0.00 O +ATOM 224 H GLY A 15 8.079 -3.767 0.134 1.00 0.00 H +ATOM 225 HA2 GLY A 15 10.105 -2.947 -0.656 1.00 0.00 H +ATOM 226 HA3 GLY A 15 9.666 -3.429 -2.292 1.00 0.00 H +ATOM 227 N ARG A 16 7.825 -1.141 -2.266 1.00 0.00 N +ATOM 228 CA ARG A 16 7.373 0.232 -2.551 1.00 0.00 C +ATOM 229 C ARG A 16 6.899 0.948 -1.262 1.00 0.00 C +ATOM 230 O ARG A 16 6.146 0.343 -0.492 1.00 0.00 O +ATOM 231 CB ARG A 16 6.251 0.175 -3.606 1.00 0.00 C +ATOM 232 CG ARG A 16 5.730 1.567 -4.005 1.00 0.00 C +ATOM 233 CD ARG A 16 4.469 1.519 -4.875 1.00 0.00 C +ATOM 234 NE ARG A 16 4.763 1.758 -6.300 1.00 0.00 N +ATOM 235 CZ ARG A 16 3.916 2.227 -7.208 1.00 0.00 C +ATOM 236 NH1 ARG A 16 2.658 2.472 -6.918 1.00 0.00 N +ATOM 237 NH2 ARG A 16 4.320 2.468 -8.433 1.00 0.00 N +ATOM 238 H ARG A 16 7.201 -1.921 -2.440 1.00 0.00 H +ATOM 239 HA ARG A 16 8.223 0.770 -2.970 1.00 0.00 H +ATOM 240 HB2 ARG A 16 6.631 -0.312 -4.483 1.00 0.00 H +ATOM 241 HB3 ARG A 16 5.424 -0.414 -3.204 1.00 0.00 H +ATOM 242 HG2 ARG A 16 5.505 2.115 -3.110 1.00 0.00 H +ATOM 243 HG3 ARG A 16 6.516 2.126 -4.513 1.00 0.00 H +ATOM 244 HD2 ARG A 16 4.016 0.551 -4.774 1.00 0.00 H +ATOM 245 HD3 ARG A 16 3.800 2.303 -4.511 1.00 0.00 H +ATOM 246 HE ARG A 16 5.706 1.581 -6.603 1.00 0.00 H +ATOM 247 HH11 ARG A 16 2.347 2.274 -5.983 1.00 0.00 H +ATOM 248 HH12 ARG A 16 2.019 2.829 -7.604 1.00 0.00 H +ATOM 249 HH21 ARG A 16 5.274 2.298 -8.697 1.00 0.00 H +ATOM 250 HH22 ARG A 16 3.671 2.823 -9.112 1.00 0.00 H +ATOM 251 N PRO A 17 7.238 2.239 -1.049 1.00 0.00 N +ATOM 252 CA PRO A 17 6.752 3.031 0.091 1.00 0.00 C +ATOM 253 C PRO A 17 5.220 3.248 0.078 1.00 0.00 C +ATOM 254 O PRO A 17 4.591 3.120 -0.974 1.00 0.00 O +ATOM 255 CB PRO A 17 7.502 4.368 0.005 1.00 0.00 C +ATOM 256 CG PRO A 17 7.850 4.499 -1.475 1.00 0.00 C +ATOM 257 CD PRO A 17 8.119 3.053 -1.878 1.00 0.00 C +ATOM 258 HA PRO A 17 7.029 2.523 1.014 1.00 0.00 H +ATOM 259 HB2 PRO A 17 6.875 5.179 0.323 1.00 0.00 H +ATOM 260 HB3 PRO A 17 8.421 4.310 0.590 1.00 0.00 H +ATOM 261 HG2 PRO A 17 7.030 4.911 -2.031 1.00 0.00 H +ATOM 262 HG3 PRO A 17 8.722 5.135 -1.635 1.00 0.00 H +ATOM 263 HD2 PRO A 17 7.895 2.907 -2.917 1.00 0.00 H +ATOM 264 HD3 PRO A 17 9.157 2.796 -1.662 1.00 0.00 H +ATOM 265 N PRO A 18 4.609 3.598 1.230 1.00 0.00 N +ATOM 266 CA PRO A 18 3.169 3.836 1.328 1.00 0.00 C +ATOM 267 C PRO A 18 2.742 5.156 0.656 1.00 0.00 C +ATOM 268 O PRO A 18 3.546 6.084 0.554 1.00 0.00 O +ATOM 269 CB PRO A 18 2.862 3.850 2.829 1.00 0.00 C +ATOM 270 CG PRO A 18 4.166 4.332 3.459 1.00 0.00 C +ATOM 271 CD PRO A 18 5.241 3.765 2.532 1.00 0.00 C +ATOM 272 HA PRO A 18 2.644 3.006 0.861 1.00 0.00 H +ATOM 273 HB2 PRO A 18 2.058 4.525 3.049 1.00 0.00 H +ATOM 274 HB3 PRO A 18 2.652 2.837 3.167 1.00 0.00 H +ATOM 275 HG2 PRO A 18 4.207 5.404 3.483 1.00 0.00 H +ATOM 276 HG3 PRO A 18 4.282 3.964 4.478 1.00 0.00 H +ATOM 277 HD2 PRO A 18 6.067 4.446 2.460 1.00 0.00 H +ATOM 278 HD3 PRO A 18 5.572 2.793 2.901 1.00 0.00 H +ATOM 279 N PRO A 19 1.469 5.271 0.226 1.00 0.00 N +ATOM 280 CA PRO A 19 0.934 6.477 -0.411 1.00 0.00 C +ATOM 281 C PRO A 19 0.511 7.576 0.577 1.00 0.00 C +ATOM 282 O PRO A 19 0.337 8.718 0.154 1.00 0.00 O +ATOM 283 CB PRO A 19 -0.292 5.993 -1.191 1.00 0.00 C +ATOM 284 CG PRO A 19 -0.802 4.823 -0.346 1.00 0.00 C +ATOM 285 CD PRO A 19 0.482 4.200 0.195 1.00 0.00 C +ATOM 286 HA PRO A 19 1.665 6.898 -1.103 1.00 0.00 H +ATOM 287 HB2 PRO A 19 -1.032 6.767 -1.264 1.00 0.00 H +ATOM 288 HB3 PRO A 19 0.019 5.632 -2.172 1.00 0.00 H +ATOM 289 HG2 PRO A 19 -1.428 5.170 0.453 1.00 0.00 H +ATOM 290 HG3 PRO A 19 -1.362 4.109 -0.947 1.00 0.00 H +ATOM 291 HD2 PRO A 19 0.321 3.813 1.183 1.00 0.00 H +ATOM 292 HD3 PRO A 19 0.825 3.424 -0.490 1.00 0.00 H +ATOM 293 N SER A 20 0.305 7.237 1.858 1.00 0.00 N +ATOM 294 CA SER A 20 -0.121 8.153 2.922 1.00 0.00 C +ATOM 295 C SER A 20 0.633 7.935 4.225 1.00 0.00 C +ATOM 296 O SER A 20 1.271 6.865 4.365 1.00 0.00 O +ATOM 297 CB SER A 20 -1.606 7.996 3.229 1.00 0.00 C +ATOM 298 OG SER A 20 -1.979 9.152 3.934 1.00 0.00 O +ATOM 299 OXT SER A 20 0.418 8.818 5.086 1.00 0.00 O +ATOM 300 H SER A 20 0.556 6.306 2.160 1.00 0.00 H +ATOM 301 HA SER A 20 0.065 9.179 2.607 1.00 0.00 H +ATOM 302 HB2 SER A 20 -2.169 7.916 2.319 1.00 0.00 H +ATOM 303 HB3 SER A 20 -1.742 7.145 3.893 1.00 0.00 H +ATOM 304 HG SER A 20 -1.222 9.307 4.547 1.00 0.00 H +TER 305 SER A 20 +ENDMDL +MODEL 38 +ATOM 1 N ASN A 1 -6.430 7.268 -0.166 1.00 0.00 N +ATOM 2 CA ASN A 1 -7.338 6.541 -1.083 1.00 0.00 C +ATOM 3 C ASN A 1 -6.741 5.186 -1.487 1.00 0.00 C +ATOM 4 O ASN A 1 -7.302 4.173 -1.103 1.00 0.00 O +ATOM 5 CB ASN A 1 -7.816 7.420 -2.263 1.00 0.00 C +ATOM 6 CG ASN A 1 -6.722 7.736 -3.278 1.00 0.00 C +ATOM 7 OD1 ASN A 1 -6.455 6.960 -4.175 1.00 0.00 O +ATOM 8 ND2 ASN A 1 -5.989 8.824 -3.136 1.00 0.00 N +ATOM 9 H1 ASN A 1 -6.139 6.658 0.586 1.00 0.00 H +ATOM 10 H2 ASN A 1 -5.611 7.592 -0.664 1.00 0.00 H +ATOM 11 H3 ASN A 1 -6.908 8.064 0.234 1.00 0.00 H +ATOM 12 HA ASN A 1 -8.233 6.285 -0.514 1.00 0.00 H +ATOM 13 HB2 ASN A 1 -8.609 6.904 -2.770 1.00 0.00 H +ATOM 14 HB3 ASN A 1 -8.228 8.355 -1.876 1.00 0.00 H +ATOM 15 HD21 ASN A 1 -6.187 9.584 -2.506 1.00 0.00 H +ATOM 16 HD22 ASN A 1 -5.321 8.935 -3.885 1.00 0.00 H +ATOM 17 N LEU A 2 -5.581 5.139 -2.154 1.00 0.00 N +ATOM 18 CA LEU A 2 -4.935 3.924 -2.679 1.00 0.00 C +ATOM 19 C LEU A 2 -4.238 3.028 -1.631 1.00 0.00 C +ATOM 20 O LEU A 2 -3.619 2.024 -1.985 1.00 0.00 O +ATOM 21 CB LEU A 2 -3.974 4.371 -3.806 1.00 0.00 C +ATOM 22 CG LEU A 2 -4.642 4.256 -5.191 1.00 0.00 C +ATOM 23 CD1 LEU A 2 -3.992 5.215 -6.190 1.00 0.00 C +ATOM 24 CD2 LEU A 2 -4.527 2.822 -5.718 1.00 0.00 C +ATOM 25 H LEU A 2 -5.206 6.000 -2.526 1.00 0.00 H +ATOM 26 HA LEU A 2 -5.713 3.296 -3.117 1.00 0.00 H +ATOM 27 HB2 LEU A 2 -3.690 5.392 -3.639 1.00 0.00 H +ATOM 28 HB3 LEU A 2 -3.065 3.769 -3.800 1.00 0.00 H +ATOM 29 HG LEU A 2 -5.698 4.515 -5.115 1.00 0.00 H +ATOM 30 HD11 LEU A 2 -4.204 6.242 -5.892 1.00 0.00 H +ATOM 31 HD12 LEU A 2 -2.915 5.058 -6.224 1.00 0.00 H +ATOM 32 HD13 LEU A 2 -4.414 5.054 -7.182 1.00 0.00 H +ATOM 33 HD21 LEU A 2 -3.478 2.549 -5.839 1.00 0.00 H +ATOM 34 HD22 LEU A 2 -4.998 2.131 -5.020 1.00 0.00 H +ATOM 35 HD23 LEU A 2 -5.031 2.745 -6.681 1.00 0.00 H +ATOM 36 N TYR A 3 -4.360 3.359 -0.340 1.00 0.00 N +ATOM 37 CA TYR A 3 -3.724 2.648 0.772 1.00 0.00 C +ATOM 38 C TYR A 3 -4.137 1.169 0.856 1.00 0.00 C +ATOM 39 O TYR A 3 -3.317 0.329 1.227 1.00 0.00 O +ATOM 40 CB TYR A 3 -4.029 3.379 2.090 1.00 0.00 C +ATOM 41 CG TYR A 3 -2.887 3.312 3.082 1.00 0.00 C +ATOM 42 CD1 TYR A 3 -1.861 4.274 3.013 1.00 0.00 C +ATOM 43 CD2 TYR A 3 -2.830 2.295 4.054 1.00 0.00 C +ATOM 44 CE1 TYR A 3 -0.765 4.215 3.892 1.00 0.00 C +ATOM 45 CE2 TYR A 3 -1.745 2.242 4.951 1.00 0.00 C +ATOM 46 CZ TYR A 3 -0.706 3.197 4.866 1.00 0.00 C +ATOM 47 OH TYR A 3 0.351 3.124 5.717 1.00 0.00 O +ATOM 48 H TYR A 3 -4.937 4.156 -0.129 1.00 0.00 H +ATOM 49 HA TYR A 3 -2.646 2.676 0.609 1.00 0.00 H +ATOM 50 HB2 TYR A 3 -4.231 4.410 1.870 1.00 0.00 H +ATOM 51 HB3 TYR A 3 -4.934 2.967 2.541 1.00 0.00 H +ATOM 52 HD1 TYR A 3 -1.912 5.069 2.285 1.00 0.00 H +ATOM 53 HD2 TYR A 3 -3.617 1.558 4.111 1.00 0.00 H +ATOM 54 HE1 TYR A 3 0.013 4.960 3.818 1.00 0.00 H +ATOM 55 HE2 TYR A 3 -1.685 1.473 5.706 1.00 0.00 H +ATOM 56 HH TYR A 3 1.074 3.686 5.430 1.00 0.00 H +ATOM 57 N ILE A 4 -5.379 0.841 0.456 1.00 0.00 N +ATOM 58 CA ILE A 4 -5.867 -0.543 0.382 1.00 0.00 C +ATOM 59 C ILE A 4 -4.972 -1.370 -0.545 1.00 0.00 C +ATOM 60 O ILE A 4 -4.513 -2.431 -0.139 1.00 0.00 O +ATOM 61 CB ILE A 4 -7.351 -0.631 -0.056 1.00 0.00 C +ATOM 62 CG1 ILE A 4 -8.267 0.276 0.803 1.00 0.00 C +ATOM 63 CG2 ILE A 4 -7.848 -2.085 0.043 1.00 0.00 C +ATOM 64 CD1 ILE A 4 -8.626 1.595 0.106 1.00 0.00 C +ATOM 65 H ILE A 4 -5.992 1.589 0.165 1.00 0.00 H +ATOM 66 HA ILE A 4 -5.785 -0.978 1.379 1.00 0.00 H +ATOM 67 HB ILE A 4 -7.431 -0.341 -1.106 1.00 0.00 H +ATOM 68 HG12 ILE A 4 -9.174 -0.257 1.016 1.00 0.00 H +ATOM 69 HG13 ILE A 4 -7.782 0.492 1.756 1.00 0.00 H +ATOM 70 HG21 ILE A 4 -7.271 -2.734 -0.616 1.00 0.00 H +ATOM 71 HG22 ILE A 4 -7.761 -2.445 1.069 1.00 0.00 H +ATOM 72 HG23 ILE A 4 -8.892 -2.140 -0.270 1.00 0.00 H +ATOM 73 HD11 ILE A 4 -7.974 1.772 -0.749 1.00 0.00 H +ATOM 74 HD12 ILE A 4 -9.658 1.551 -0.248 1.00 0.00 H +ATOM 75 HD13 ILE A 4 -8.528 2.422 0.809 1.00 0.00 H +ATOM 76 N GLN A 5 -4.692 -0.874 -1.757 1.00 0.00 N +ATOM 77 CA GLN A 5 -3.867 -1.563 -2.751 1.00 0.00 C +ATOM 78 C GLN A 5 -2.445 -1.809 -2.222 1.00 0.00 C +ATOM 79 O GLN A 5 -1.929 -2.921 -2.330 1.00 0.00 O +ATOM 80 CB GLN A 5 -3.847 -0.743 -4.058 1.00 0.00 C +ATOM 81 CG GLN A 5 -3.727 -1.623 -5.311 1.00 0.00 C +ATOM 82 CD GLN A 5 -5.084 -2.186 -5.734 1.00 0.00 C +ATOM 83 OE1 GLN A 5 -5.698 -2.984 -5.042 1.00 0.00 O +ATOM 84 NE2 GLN A 5 -5.615 -1.776 -6.871 1.00 0.00 N +ATOM 85 H GLN A 5 -5.036 0.048 -1.986 1.00 0.00 H +ATOM 86 HA GLN A 5 -4.323 -2.535 -2.945 1.00 0.00 H +ATOM 87 HB2 GLN A 5 -4.757 -0.178 -4.122 1.00 0.00 H +ATOM 88 HB3 GLN A 5 -3.011 -0.043 -4.034 1.00 0.00 H +ATOM 89 HG2 GLN A 5 -3.329 -1.033 -6.114 1.00 0.00 H +ATOM 90 HG3 GLN A 5 -3.035 -2.447 -5.128 1.00 0.00 H +ATOM 91 HE21 GLN A 5 -5.153 -1.128 -7.485 1.00 0.00 H +ATOM 92 HE22 GLN A 5 -6.510 -2.185 -7.079 1.00 0.00 H +ATOM 93 N TRP A 6 -1.839 -0.788 -1.599 1.00 0.00 N +ATOM 94 CA TRP A 6 -0.525 -0.892 -0.956 1.00 0.00 C +ATOM 95 C TRP A 6 -0.505 -1.946 0.161 1.00 0.00 C +ATOM 96 O TRP A 6 0.383 -2.798 0.180 1.00 0.00 O +ATOM 97 CB TRP A 6 -0.095 0.486 -0.442 1.00 0.00 C +ATOM 98 CG TRP A 6 1.244 0.517 0.231 1.00 0.00 C +ATOM 99 CD1 TRP A 6 2.442 0.440 -0.391 1.00 0.00 C +ATOM 100 CD2 TRP A 6 1.543 0.573 1.661 1.00 0.00 C +ATOM 101 NE1 TRP A 6 3.455 0.482 0.546 1.00 0.00 N +ATOM 102 CE2 TRP A 6 2.959 0.563 1.826 1.00 0.00 C +ATOM 103 CE3 TRP A 6 0.765 0.602 2.836 1.00 0.00 C +ATOM 104 CZ2 TRP A 6 3.578 0.610 3.082 1.00 0.00 C +ATOM 105 CZ3 TRP A 6 1.375 0.609 4.105 1.00 0.00 C +ATOM 106 CH2 TRP A 6 2.774 0.632 4.232 1.00 0.00 C +ATOM 107 H TRP A 6 -2.350 0.086 -1.539 1.00 0.00 H +ATOM 108 HA TRP A 6 0.198 -1.218 -1.705 1.00 0.00 H +ATOM 109 HB2 TRP A 6 -0.064 1.159 -1.277 1.00 0.00 H +ATOM 110 HB3 TRP A 6 -0.841 0.856 0.262 1.00 0.00 H +ATOM 111 HD1 TRP A 6 2.583 0.342 -1.457 1.00 0.00 H +ATOM 112 HE1 TRP A 6 4.453 0.438 0.329 1.00 0.00 H +ATOM 113 HE3 TRP A 6 -0.312 0.606 2.755 1.00 0.00 H +ATOM 114 HZ2 TRP A 6 4.655 0.607 3.156 1.00 0.00 H +ATOM 115 HZ3 TRP A 6 0.762 0.609 4.996 1.00 0.00 H +ATOM 116 HH2 TRP A 6 3.223 0.656 5.215 1.00 0.00 H +ATOM 117 N LEU A 7 -1.495 -1.933 1.067 1.00 0.00 N +ATOM 118 CA LEU A 7 -1.631 -2.979 2.085 1.00 0.00 C +ATOM 119 C LEU A 7 -1.880 -4.365 1.470 1.00 0.00 C +ATOM 120 O LEU A 7 -1.286 -5.334 1.938 1.00 0.00 O +ATOM 121 CB LEU A 7 -2.736 -2.618 3.092 1.00 0.00 C +ATOM 122 CG LEU A 7 -2.373 -1.484 4.072 1.00 0.00 C +ATOM 123 CD1 LEU A 7 -3.572 -1.205 4.981 1.00 0.00 C +ATOM 124 CD2 LEU A 7 -1.173 -1.831 4.963 1.00 0.00 C +ATOM 125 H LEU A 7 -2.195 -1.196 1.019 1.00 0.00 H +ATOM 126 HA LEU A 7 -0.684 -3.061 2.616 1.00 0.00 H +ATOM 127 HB2 LEU A 7 -3.605 -2.317 2.540 1.00 0.00 H +ATOM 128 HB3 LEU A 7 -2.968 -3.507 3.680 1.00 0.00 H +ATOM 129 HG LEU A 7 -2.145 -0.578 3.513 1.00 0.00 H +ATOM 130 HD11 LEU A 7 -4.432 -0.914 4.377 1.00 0.00 H +ATOM 131 HD12 LEU A 7 -3.821 -2.097 5.558 1.00 0.00 H +ATOM 132 HD13 LEU A 7 -3.338 -0.395 5.671 1.00 0.00 H +ATOM 133 HD21 LEU A 7 -1.337 -2.790 5.456 1.00 0.00 H +ATOM 134 HD22 LEU A 7 -0.263 -1.882 4.367 1.00 0.00 H +ATOM 135 HD23 LEU A 7 -1.035 -1.059 5.719 1.00 0.00 H +ATOM 136 N LYS A 8 -2.706 -4.471 0.416 1.00 0.00 N +ATOM 137 CA LYS A 8 -3.040 -5.736 -0.258 1.00 0.00 C +ATOM 138 C LYS A 8 -1.805 -6.466 -0.789 1.00 0.00 C +ATOM 139 O LYS A 8 -1.742 -7.687 -0.688 1.00 0.00 O +ATOM 140 CB LYS A 8 -4.034 -5.485 -1.410 1.00 0.00 C +ATOM 141 CG LYS A 8 -4.931 -6.689 -1.757 1.00 0.00 C +ATOM 142 CD LYS A 8 -6.238 -6.726 -0.944 1.00 0.00 C +ATOM 143 CE LYS A 8 -6.111 -7.395 0.434 1.00 0.00 C +ATOM 144 NZ LYS A 8 -6.596 -8.795 0.413 1.00 0.00 N +ATOM 145 H LYS A 8 -3.180 -3.623 0.110 1.00 0.00 H +ATOM 146 HA LYS A 8 -3.483 -6.388 0.485 1.00 0.00 H +ATOM 147 HB2 LYS A 8 -4.667 -4.665 -1.133 1.00 0.00 H +ATOM 148 HB3 LYS A 8 -3.469 -5.209 -2.302 1.00 0.00 H +ATOM 149 HG2 LYS A 8 -5.179 -6.640 -2.800 1.00 0.00 H +ATOM 150 HG3 LYS A 8 -4.383 -7.626 -1.648 1.00 0.00 H +ATOM 151 HD2 LYS A 8 -6.571 -5.716 -0.797 1.00 0.00 H +ATOM 152 HD3 LYS A 8 -6.998 -7.246 -1.531 1.00 0.00 H +ATOM 153 HE2 LYS A 8 -5.079 -7.389 0.729 1.00 0.00 H +ATOM 154 HE3 LYS A 8 -6.699 -6.816 1.151 1.00 0.00 H +ATOM 155 HZ1 LYS A 8 -7.551 -8.825 0.081 1.00 0.00 H +ATOM 156 HZ2 LYS A 8 -6.018 -9.355 -0.202 1.00 0.00 H +ATOM 157 HZ3 LYS A 8 -6.565 -9.193 1.343 1.00 0.00 H +ATOM 158 N ASP A 9 -0.838 -5.715 -1.323 1.00 0.00 N +ATOM 159 CA ASP A 9 0.450 -6.224 -1.807 1.00 0.00 C +ATOM 160 C ASP A 9 1.375 -6.712 -0.666 1.00 0.00 C +ATOM 161 O ASP A 9 2.268 -7.521 -0.902 1.00 0.00 O +ATOM 162 CB ASP A 9 1.122 -5.114 -2.638 1.00 0.00 C +ATOM 163 CG ASP A 9 1.749 -5.645 -3.931 1.00 0.00 C +ATOM 164 OD1 ASP A 9 2.908 -6.107 -3.879 1.00 0.00 O +ATOM 165 OD2 ASP A 9 1.053 -5.563 -4.967 1.00 0.00 O +ATOM 166 H ASP A 9 -1.027 -4.724 -1.433 1.00 0.00 H +ATOM 167 HA ASP A 9 0.258 -7.078 -2.459 1.00 0.00 H +ATOM 168 HB2 ASP A 9 0.383 -4.379 -2.891 1.00 0.00 H +ATOM 169 HB3 ASP A 9 1.874 -4.603 -2.038 1.00 0.00 H +ATOM 170 N GLY A 10 1.131 -6.267 0.578 1.00 0.00 N +ATOM 171 CA GLY A 10 1.947 -6.573 1.759 1.00 0.00 C +ATOM 172 C GLY A 10 2.471 -5.343 2.517 1.00 0.00 C +ATOM 173 O GLY A 10 3.312 -5.492 3.405 1.00 0.00 O +ATOM 174 H GLY A 10 0.292 -5.717 0.714 1.00 0.00 H +ATOM 175 HA2 GLY A 10 1.343 -7.159 2.453 1.00 0.00 H +ATOM 176 HA3 GLY A 10 2.809 -7.177 1.472 1.00 0.00 H +ATOM 177 N GLY A 11 2.017 -4.128 2.178 1.00 0.00 N +ATOM 178 CA GLY A 11 2.486 -2.885 2.787 1.00 0.00 C +ATOM 179 C GLY A 11 4.008 -2.719 2.637 1.00 0.00 C +ATOM 180 O GLY A 11 4.503 -2.800 1.506 1.00 0.00 O +ATOM 181 H GLY A 11 1.396 -4.039 1.378 1.00 0.00 H +ATOM 182 HA2 GLY A 11 2.001 -2.048 2.288 1.00 0.00 H +ATOM 183 HA3 GLY A 11 2.186 -2.879 3.832 1.00 0.00 H +ATOM 184 N PRO A 12 4.780 -2.519 3.728 1.00 0.00 N +ATOM 185 CA PRO A 12 6.239 -2.387 3.665 1.00 0.00 C +ATOM 186 C PRO A 12 6.950 -3.575 3.000 1.00 0.00 C +ATOM 187 O PRO A 12 7.979 -3.391 2.354 1.00 0.00 O +ATOM 188 CB PRO A 12 6.713 -2.228 5.117 1.00 0.00 C +ATOM 189 CG PRO A 12 5.470 -1.751 5.866 1.00 0.00 C +ATOM 190 CD PRO A 12 4.331 -2.431 5.110 1.00 0.00 C +ATOM 191 HA PRO A 12 6.480 -1.479 3.109 1.00 0.00 H +ATOM 192 HB2 PRO A 12 7.058 -3.165 5.510 1.00 0.00 H +ATOM 193 HB3 PRO A 12 7.527 -1.506 5.194 1.00 0.00 H +ATOM 194 HG2 PRO A 12 5.494 -2.065 6.892 1.00 0.00 H +ATOM 195 HG3 PRO A 12 5.378 -0.669 5.771 1.00 0.00 H +ATOM 196 HD2 PRO A 12 4.149 -3.411 5.508 1.00 0.00 H +ATOM 197 HD3 PRO A 12 3.421 -1.842 5.212 1.00 0.00 H +ATOM 198 N SER A 13 6.391 -4.788 3.108 1.00 0.00 N +ATOM 199 CA SER A 13 6.963 -6.030 2.565 1.00 0.00 C +ATOM 200 C SER A 13 6.817 -6.172 1.040 1.00 0.00 C +ATOM 201 O SER A 13 7.075 -7.245 0.502 1.00 0.00 O +ATOM 202 CB SER A 13 6.348 -7.235 3.292 1.00 0.00 C +ATOM 203 OG SER A 13 6.588 -7.135 4.685 1.00 0.00 O +ATOM 204 H SER A 13 5.511 -4.881 3.605 1.00 0.00 H +ATOM 205 HA SER A 13 8.033 -6.031 2.772 1.00 0.00 H +ATOM 206 HB2 SER A 13 5.290 -7.255 3.114 1.00 0.00 H +ATOM 207 HB3 SER A 13 6.798 -8.157 2.922 1.00 0.00 H +ATOM 208 HG SER A 13 7.535 -7.126 4.838 1.00 0.00 H +ATOM 209 N SER A 14 6.433 -5.095 0.342 1.00 0.00 N +ATOM 210 CA SER A 14 6.094 -5.070 -1.091 1.00 0.00 C +ATOM 211 C SER A 14 7.131 -4.326 -1.948 1.00 0.00 C +ATOM 212 O SER A 14 6.912 -4.123 -3.139 1.00 0.00 O +ATOM 213 CB SER A 14 4.713 -4.430 -1.320 1.00 0.00 C +ATOM 214 OG SER A 14 3.852 -4.557 -0.209 1.00 0.00 O +ATOM 215 H SER A 14 6.248 -4.262 0.883 1.00 0.00 H +ATOM 216 HA SER A 14 6.036 -6.095 -1.458 1.00 0.00 H +ATOM 217 HB2 SER A 14 4.851 -3.386 -1.528 1.00 0.00 H +ATOM 218 HB3 SER A 14 4.256 -4.900 -2.188 1.00 0.00 H +ATOM 219 HG SER A 14 4.090 -3.859 0.448 1.00 0.00 H +ATOM 220 N GLY A 15 8.234 -3.851 -1.350 1.00 0.00 N +ATOM 221 CA GLY A 15 9.242 -3.043 -2.046 1.00 0.00 C +ATOM 222 C GLY A 15 8.765 -1.634 -2.430 1.00 0.00 C +ATOM 223 O GLY A 15 9.339 -1.029 -3.333 1.00 0.00 O +ATOM 224 H GLY A 15 8.368 -4.078 -0.374 1.00 0.00 H +ATOM 225 HA2 GLY A 15 10.125 -2.943 -1.415 1.00 0.00 H +ATOM 226 HA3 GLY A 15 9.540 -3.557 -2.962 1.00 0.00 H +ATOM 227 N ARG A 16 7.712 -1.116 -1.776 1.00 0.00 N +ATOM 228 CA ARG A 16 7.012 0.119 -2.159 1.00 0.00 C +ATOM 229 C ARG A 16 6.744 1.004 -0.927 1.00 0.00 C +ATOM 230 O ARG A 16 6.192 0.494 0.050 1.00 0.00 O +ATOM 231 CB ARG A 16 5.715 -0.274 -2.903 1.00 0.00 C +ATOM 232 CG ARG A 16 5.325 0.703 -4.024 1.00 0.00 C +ATOM 233 CD ARG A 16 4.678 2.015 -3.540 1.00 0.00 C +ATOM 234 NE ARG A 16 3.237 2.087 -3.842 1.00 0.00 N +ATOM 235 CZ ARG A 16 2.680 2.273 -5.035 1.00 0.00 C +ATOM 236 NH1 ARG A 16 3.403 2.443 -6.118 1.00 0.00 N +ATOM 237 NH2 ARG A 16 1.375 2.289 -5.163 1.00 0.00 N +ATOM 238 H ARG A 16 7.321 -1.668 -1.025 1.00 0.00 H +ATOM 239 HA ARG A 16 7.663 0.650 -2.853 1.00 0.00 H +ATOM 240 HB2 ARG A 16 5.853 -1.247 -3.334 1.00 0.00 H +ATOM 241 HB3 ARG A 16 4.890 -0.391 -2.200 1.00 0.00 H +ATOM 242 HG2 ARG A 16 6.212 0.951 -4.574 1.00 0.00 H +ATOM 243 HG3 ARG A 16 4.637 0.186 -4.695 1.00 0.00 H +ATOM 244 HD2 ARG A 16 4.810 2.091 -2.478 1.00 0.00 H +ATOM 245 HD3 ARG A 16 5.186 2.860 -4.006 1.00 0.00 H +ATOM 246 HE ARG A 16 2.615 2.042 -3.054 1.00 0.00 H +ATOM 247 HH11 ARG A 16 4.402 2.431 -6.023 1.00 0.00 H +ATOM 248 HH12 ARG A 16 2.980 2.582 -7.018 1.00 0.00 H +ATOM 249 HH21 ARG A 16 0.783 2.132 -4.366 1.00 0.00 H +ATOM 250 HH22 ARG A 16 0.966 2.417 -6.070 1.00 0.00 H +ATOM 251 N PRO A 17 7.089 2.310 -0.946 1.00 0.00 N +ATOM 252 CA PRO A 17 6.885 3.210 0.196 1.00 0.00 C +ATOM 253 C PRO A 17 5.393 3.477 0.503 1.00 0.00 C +ATOM 254 O PRO A 17 4.546 3.303 -0.377 1.00 0.00 O +ATOM 255 CB PRO A 17 7.623 4.504 -0.182 1.00 0.00 C +ATOM 256 CG PRO A 17 7.588 4.505 -1.707 1.00 0.00 C +ATOM 257 CD PRO A 17 7.737 3.023 -2.038 1.00 0.00 C +ATOM 258 HA PRO A 17 7.356 2.774 1.077 1.00 0.00 H +ATOM 259 HB2 PRO A 17 7.117 5.363 0.213 1.00 0.00 H +ATOM 260 HB3 PRO A 17 8.658 4.442 0.155 1.00 0.00 H +ATOM 261 HG2 PRO A 17 6.657 4.893 -2.074 1.00 0.00 H +ATOM 262 HG3 PRO A 17 8.394 5.099 -2.134 1.00 0.00 H +ATOM 263 HD2 PRO A 17 7.256 2.797 -2.970 1.00 0.00 H +ATOM 264 HD3 PRO A 17 8.794 2.757 -2.066 1.00 0.00 H +ATOM 265 N PRO A 18 5.059 3.929 1.730 1.00 0.00 N +ATOM 266 CA PRO A 18 3.682 4.205 2.144 1.00 0.00 C +ATOM 267 C PRO A 18 3.095 5.411 1.383 1.00 0.00 C +ATOM 268 O PRO A 18 3.661 6.502 1.452 1.00 0.00 O +ATOM 269 CB PRO A 18 3.748 4.459 3.655 1.00 0.00 C +ATOM 270 CG PRO A 18 5.175 4.956 3.878 1.00 0.00 C +ATOM 271 CD PRO A 18 5.977 4.185 2.832 1.00 0.00 C +ATOM 272 HA PRO A 18 3.080 3.317 1.975 1.00 0.00 H +ATOM 273 HB2 PRO A 18 3.033 5.203 3.949 1.00 0.00 H +ATOM 274 HB3 PRO A 18 3.609 3.517 4.186 1.00 0.00 H +ATOM 275 HG2 PRO A 18 5.245 6.014 3.714 1.00 0.00 H +ATOM 276 HG3 PRO A 18 5.524 4.748 4.890 1.00 0.00 H +ATOM 277 HD2 PRO A 18 6.810 4.771 2.495 1.00 0.00 H +ATOM 278 HD3 PRO A 18 6.310 3.236 3.253 1.00 0.00 H +ATOM 279 N PRO A 19 1.966 5.253 0.661 1.00 0.00 N +ATOM 280 CA PRO A 19 1.331 6.356 -0.052 1.00 0.00 C +ATOM 281 C PRO A 19 0.578 7.268 0.928 1.00 0.00 C +ATOM 282 O PRO A 19 -0.202 6.793 1.754 1.00 0.00 O +ATOM 283 CB PRO A 19 0.397 5.681 -1.061 1.00 0.00 C +ATOM 284 CG PRO A 19 -0.022 4.391 -0.357 1.00 0.00 C +ATOM 285 CD PRO A 19 1.197 4.027 0.492 1.00 0.00 C +ATOM 286 HA PRO A 19 2.080 6.941 -0.589 1.00 0.00 H +ATOM 287 HB2 PRO A 19 -0.455 6.299 -1.267 1.00 0.00 H +ATOM 288 HB3 PRO A 19 0.960 5.433 -1.961 1.00 0.00 H +ATOM 289 HG2 PRO A 19 -0.883 4.555 0.261 1.00 0.00 H +ATOM 290 HG3 PRO A 19 -0.265 3.606 -1.072 1.00 0.00 H +ATOM 291 HD2 PRO A 19 0.884 3.651 1.447 1.00 0.00 H +ATOM 292 HD3 PRO A 19 1.805 3.288 -0.030 1.00 0.00 H +ATOM 293 N SER A 20 0.794 8.581 0.820 1.00 0.00 N +ATOM 294 CA SER A 20 0.068 9.633 1.546 1.00 0.00 C +ATOM 295 C SER A 20 -0.019 10.895 0.692 1.00 0.00 C +ATOM 296 O SER A 20 0.894 11.061 -0.156 1.00 0.00 O +ATOM 297 CB SER A 20 0.690 9.909 2.920 1.00 0.00 C +ATOM 298 OG SER A 20 2.087 10.037 2.813 1.00 0.00 O +ATOM 299 OXT SER A 20 -1.022 11.612 0.858 1.00 0.00 O +ATOM 300 H SER A 20 1.377 8.948 0.073 1.00 0.00 H +ATOM 301 HA SER A 20 -0.962 9.316 1.705 1.00 0.00 H +ATOM 302 HB2 SER A 20 0.282 10.819 3.316 1.00 0.00 H +ATOM 303 HB3 SER A 20 0.461 9.076 3.584 1.00 0.00 H +ATOM 304 HG SER A 20 2.347 9.513 2.048 1.00 0.00 H +TER 305 SER A 20 +ENDMDL +MASTER 109 0 0 2 0 0 0 611552 38 0 2 +END HEADER DE NOVO PROTEIN 25-FEB-02 1L2Y +TITLE NMR STRUCTURE OF TRP-CAGE MINIPROTEIN CONSTRUCT TC5B +COMPND MOL_ID: 1; +COMPND 2 MOLECULE: TC5B; +COMPND 3 CHAIN: A; +COMPND 4 ENGINEERED: YES +SOURCE MOL_ID: 1; +SOURCE 2 SYNTHETIC: YES; +SOURCE 3 OTHER_DETAILS: THE PROTEIN WAS SYNTHESIZED USING STANDARD +SOURCE 4 FMOC SOLID-PHASE SYNTHESIS METHODS ON AN APPLIED +SOURCE 5 BIOSYSTEMS 433A PEPTIDE SYNTHESIZER. +KEYWDS MINIPROTEIN, TWO-STATE FOLDING, TRP-CAGE, DE NOVO PROTEIN +EXPDTA SOLUTION NMR +NUMMDL 38 +AUTHOR J.W.NEIDIGH,R.M.FESINMEYER,N.H.ANDERSEN +REVDAT 2 24-FEB-09 1L2Y 1 VERSN +REVDAT 1 29-MAY-02 1L2Y 0 +JRNL AUTH J.W.NEIDIGH,R.M.FESINMEYER,N.H.ANDERSEN +JRNL TITL DESIGNING A 20-RESIDUE PROTEIN. +JRNL REF NAT.STRUCT.BIOL. V. 9 425 2002 +JRNL REFN ISSN 1072-8368 +JRNL PMID 11979279 +JRNL DOI 10.1038/NSB798 +REMARK 1 +REMARK 2 +REMARK 2 RESOLUTION. NOT APPLICABLE. +REMARK 3 +REMARK 3 REFINEMENT. +REMARK 3 PROGRAM : AMBER 6.0 +REMARK 3 AUTHORS : KOLLMAN +REMARK 3 +REMARK 3 OTHER REFINEMENT REMARKS: 169 NOE DISTANCE CONSTRAINTS WERE +REMARK 3 EMPLOYED. CNS WAS EMPLOYED FOR S.A., FOLLOWED BY MINIMIZATION +REMARK 3 USING THE SANDER MODULE OF AMBER. +REMARK 4 +REMARK 4 1L2Y COMPLIES WITH FORMAT V. 3.15, 01-DEC-08 +REMARK 100 +REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY RCSB ON 28-FEB-02. +REMARK 100 THE RCSB ID CODE IS RCSB015598. +REMARK 210 +REMARK 210 EXPERIMENTAL DETAILS +REMARK 210 EXPERIMENT TYPE : NMR +REMARK 210 TEMPERATURE (KELVIN) : 282 +REMARK 210 PH : 7 +REMARK 210 IONIC STRENGTH : NULL +REMARK 210 PRESSURE : AMBIENT +REMARK 210 SAMPLE CONTENTS : 1.0-1.8 MM TC5B +REMARK 210 +REMARK 210 NMR EXPERIMENTS CONDUCTED : 2D NOESY +REMARK 210 SPECTROMETER FIELD STRENGTH : 500 MHZ +REMARK 210 SPECTROMETER MODEL : DRX +REMARK 210 SPECTROMETER MANUFACTURER : BRUKER +REMARK 210 +REMARK 210 STRUCTURE DETERMINATION. +REMARK 210 SOFTWARE USED : XWINNMR 2.6, FELIX 95, CNS +REMARK 210 1.0, AMBER 6.0 +REMARK 210 METHOD USED : SIMULATED ANNEALING FROM +REMARK 210 RANDOM STRUCTURES FOLLOWED BY +REMARK 210 STEEPEST DESCENT MINIMIZATION +REMARK 210 +REMARK 210 CONFORMERS, NUMBER CALCULATED : 50 +REMARK 210 CONFORMERS, NUMBER SUBMITTED : 38 +REMARK 210 CONFORMERS, SELECTION CRITERIA : STRUCTURES WITH ACCEPTABLE +REMARK 210 COVALENT GEOMETRY, STRUCTURES +REMARK 210 WITH THE LEAST RESTRAINT +REMARK 210 VIOLATIONS +REMARK 210 +REMARK 210 BEST REPRESENTATIVE CONFORMER IN THIS ENSEMBLE : NULL +REMARK 210 +REMARK 210 REMARK: THIS STRUCTURE WAS DETERMINED USING STANDARD 2D +REMARK 210 HOMONUCLEAR TECHNIQUES. +REMARK 215 +REMARK 215 NMR STUDY +REMARK 215 THE COORDINATES IN THIS ENTRY WERE GENERATED FROM SOLUTION +REMARK 215 NMR DATA. PROTEIN DATA BANK CONVENTIONS REQUIRE THAT +REMARK 215 CRYST1 AND SCALE RECORDS BE INCLUDED, BUT THE VALUES ON +REMARK 215 THESE RECORDS ARE MEANINGLESS. +REMARK 500 +REMARK 500 GEOMETRY AND STEREOCHEMISTRY +REMARK 500 SUBTOPIC: COVALENT BOND ANGLES +REMARK 500 +REMARK 500 THE STEREOCHEMICAL PARAMETERS OF THE FOLLOWING RESIDUES +REMARK 500 HAVE VALUES WHICH DEVIATE FROM EXPECTED VALUES BY MORE +REMARK 500 THAN 6*RMSD (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN +REMARK 500 IDENTIFIER; SSEQ=SEQUENCE NUMBER; I=INSERTION CODE). +REMARK 500 +REMARK 500 STANDARD TABLE: +REMARK 500 FORMAT: (10X,I3,1X,A3,1X,A1,I4,A1,3(1X,A4,2X),12X,F5.1) +REMARK 500 +REMARK 500 EXPECTED VALUES PROTEIN: ENGH AND HUBER, 1999 +REMARK 500 EXPECTED VALUES NUCLEIC ACID: CLOWNEY ET AL 1996 +REMARK 500 +REMARK 500 M RES CSSEQI ATM1 ATM2 ATM3 +REMARK 500 2 ARG A 16 NE - CZ - NH1 ANGL. DEV. = 3.6 DEGREES +REMARK 500 13 ARG A 16 NE - CZ - NH1 ANGL. DEV. = 4.7 DEGREES +REMARK 500 +REMARK 500 REMARK: NULL +REMARK 500 +REMARK 500 GEOMETRY AND STEREOCHEMISTRY +REMARK 500 SUBTOPIC: TORSION ANGLES +REMARK 500 +REMARK 500 TORSION ANGLES OUTSIDE THE EXPECTED RAMACHANDRAN REGIONS: +REMARK 500 (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN IDENTIFIER; +REMARK 500 SSEQ=SEQUENCE NUMBER; I=INSERTION CODE). +REMARK 500 +REMARK 500 STANDARD TABLE: +REMARK 500 FORMAT:(10X,I3,1X,A3,1X,A1,I4,A1,4X,F7.2,3X,F7.2) +REMARK 500 +REMARK 500 EXPECTED VALUES: GJ KLEYWEGT AND TA JONES (1996). PHI/PSI- +REMARK 500 CHOLOGY: RAMACHANDRAN REVISITED. STRUCTURE 4, 1395 - 1400 +REMARK 500 +REMARK 500 M RES CSSEQI PSI PHI +REMARK 500 5 LEU A 2 -34.83 72.95 +REMARK 500 6 LEU A 2 -33.93 63.45 +REMARK 500 9 LEU A 2 -18.34 57.13 +REMARK 500 13 LEU A 2 -33.72 66.32 +REMARK 500 18 LEU A 2 -3.11 60.50 +REMARK 500 19 LEU A 2 -1.16 58.98 +REMARK 500 20 LEU A 2 -32.96 68.39 +REMARK 500 23 LEU A 2 -47.12 63.92 +REMARK 500 28 LEU A 2 -2.46 61.26 +REMARK 500 29 LEU A 2 -42.02 66.43 +REMARK 500 34 PRO A 12 11.15 -66.86 +REMARK 500 +REMARK 500 REMARK: NULL +REMARK 900 +REMARK 900 RELATED ENTRIES +REMARK 900 RELATED ID: 5292 RELATED DB: BMRB +REMARK 900 BMRB 5292 IS CHEMICAL SHIFTS FOR TC5B IN BUFFER AND BUFFER +REMARK 900 CONTAINING 30 VOL-% TFE. +REMARK 900 RELATED ID: 1JRJ RELATED DB: PDB +REMARK 900 1JRJ IS AN ANALAGOUS C-TERMINAL STRUCTURE. +DBREF 1L2Y A 1 20 PDB 1L2Y 1L2Y 1 20 +SEQRES 1 A 20 ASN LEU TYR ILE GLN TRP LEU LYS ASP GLY GLY PRO SER +SEQRES 2 A 20 SER GLY ARG PRO PRO PRO SER +HELIX 1 1 ASN A 1 ASP A 9 1 9 +HELIX 2 2 GLY A 10 GLY A 15 5 6 +CRYST1 1.000 1.000 1.000 90.00 90.00 90.00 P 1 1 +ORIGX1 1.000000 0.000000 0.000000 0.00000 +ORIGX2 0.000000 1.000000 0.000000 0.00000 +ORIGX3 0.000000 0.000000 1.000000 0.00000 +SCALE1 1.000000 0.000000 0.000000 0.00000 +SCALE2 0.000000 1.000000 0.000000 0.00000 +SCALE3 0.000000 0.000000 1.000000 0.00000 +MODEL 1 +ATOM 1 N ASN A 1 -8.901 4.127 -0.555 1.00 0.00 N +ATOM 2 CA ASN A 1 -8.608 3.135 -1.618 1.00 0.00 C +ATOM 3 C ASN A 1 -7.117 2.964 -1.897 1.00 0.00 C +ATOM 4 O ASN A 1 -6.634 1.849 -1.758 1.00 0.00 O +ATOM 5 CB ASN A 1 -9.437 3.396 -2.889 1.00 0.00 C +ATOM 6 CG ASN A 1 -10.915 3.130 -2.611 1.00 0.00 C +ATOM 7 OD1 ASN A 1 -11.269 2.700 -1.524 1.00 0.00 O +ATOM 8 ND2 ASN A 1 -11.806 3.406 -3.543 1.00 0.00 N +ATOM 9 H1 ASN A 1 -8.330 3.957 0.261 1.00 0.00 H +ATOM 10 H2 ASN A 1 -8.740 5.068 -0.889 1.00 0.00 H +ATOM 11 H3 ASN A 1 -9.877 4.041 -0.293 1.00 0.00 H +ATOM 12 HA ASN A 1 -8.930 2.162 -1.239 1.00 0.00 H +ATOM 13 HB2 ASN A 1 -9.310 4.417 -3.193 1.00 0.00 H +ATOM 14 HB3 ASN A 1 -9.108 2.719 -3.679 1.00 0.00 H +ATOM 15 HD21 ASN A 1 -11.572 3.791 -4.444 1.00 0.00 H +ATOM 16 HD22 ASN A 1 -12.757 3.183 -3.294 1.00 0.00 H +ATOM 17 N LEU A 2 -6.379 4.031 -2.228 1.00 0.00 N +ATOM 18 CA LEU A 2 -4.923 4.002 -2.452 1.00 0.00 C +ATOM 19 C LEU A 2 -4.136 3.187 -1.404 1.00 0.00 C +ATOM 20 O LEU A 2 -3.391 2.274 -1.760 1.00 0.00 O +ATOM 21 CB LEU A 2 -4.411 5.450 -2.619 1.00 0.00 C +ATOM 22 CG LEU A 2 -4.795 6.450 -1.495 1.00 0.00 C +ATOM 23 CD1 LEU A 2 -3.612 6.803 -0.599 1.00 0.00 C +ATOM 24 CD2 LEU A 2 -5.351 7.748 -2.084 1.00 0.00 C +ATOM 25 H LEU A 2 -6.821 4.923 -2.394 1.00 0.00 H +ATOM 26 HA LEU A 2 -4.750 3.494 -3.403 1.00 0.00 H +ATOM 27 HB2 LEU A 2 -3.340 5.414 -2.672 1.00 0.00 H +ATOM 28 HB3 LEU A 2 -4.813 5.817 -3.564 1.00 0.00 H +ATOM 29 HG LEU A 2 -5.568 6.022 -0.858 1.00 0.00 H +ATOM 30 HD11 LEU A 2 -3.207 5.905 -0.146 1.00 0.00 H +ATOM 31 HD12 LEU A 2 -2.841 7.304 -1.183 1.00 0.00 H +ATOM 32 HD13 LEU A 2 -3.929 7.477 0.197 1.00 0.00 H +ATOM 33 HD21 LEU A 2 -4.607 8.209 -2.736 1.00 0.00 H +ATOM 34 HD22 LEU A 2 -6.255 7.544 -2.657 1.00 0.00 H +ATOM 35 HD23 LEU A 2 -5.592 8.445 -1.281 1.00 0.00 H +ATOM 36 N TYR A 3 -4.354 3.455 -0.111 1.00 0.00 N +ATOM 37 CA TYR A 3 -3.690 2.738 0.981 1.00 0.00 C +ATOM 38 C TYR A 3 -4.102 1.256 1.074 1.00 0.00 C +ATOM 39 O TYR A 3 -3.291 0.409 1.442 1.00 0.00 O +ATOM 40 CB TYR A 3 -3.964 3.472 2.302 1.00 0.00 C +ATOM 41 CG TYR A 3 -2.824 3.339 3.290 1.00 0.00 C +ATOM 42 CD1 TYR A 3 -2.746 2.217 4.138 1.00 0.00 C +ATOM 43 CD2 TYR A 3 -1.820 4.326 3.332 1.00 0.00 C +ATOM 44 CE1 TYR A 3 -1.657 2.076 5.018 1.00 0.00 C +ATOM 45 CE2 TYR A 3 -0.725 4.185 4.205 1.00 0.00 C +ATOM 46 CZ TYR A 3 -0.639 3.053 5.043 1.00 0.00 C +ATOM 47 OH TYR A 3 0.433 2.881 5.861 1.00 0.00 O +ATOM 48 H TYR A 3 -4.934 4.245 0.120 1.00 0.00 H +ATOM 49 HA TYR A 3 -2.615 2.768 0.796 1.00 0.00 H +ATOM 50 HB2 TYR A 3 -4.117 4.513 2.091 1.00 0.00 H +ATOM 51 HB3 TYR A 3 -4.886 3.096 2.750 1.00 0.00 H +ATOM 52 HD1 TYR A 3 -3.513 1.456 4.101 1.00 0.00 H +ATOM 53 HD2 TYR A 3 -1.877 5.200 2.695 1.00 0.00 H +ATOM 54 HE1 TYR A 3 -1.576 1.221 5.669 1.00 0.00 H +ATOM 55 HE2 TYR A 3 0.033 4.952 4.233 1.00 0.00 H +ATOM 56 HH TYR A 3 1.187 3.395 5.567 1.00 0.00 H +ATOM 57 N ILE A 4 -5.342 0.925 0.689 1.00 0.00 N +ATOM 58 CA ILE A 4 -5.857 -0.449 0.613 1.00 0.00 C +ATOM 59 C ILE A 4 -5.089 -1.221 -0.470 1.00 0.00 C +ATOM 60 O ILE A 4 -4.621 -2.334 -0.226 1.00 0.00 O +ATOM 61 CB ILE A 4 -7.386 -0.466 0.343 1.00 0.00 C +ATOM 62 CG1 ILE A 4 -8.197 0.540 1.197 1.00 0.00 C +ATOM 63 CG2 ILE A 4 -7.959 -1.884 0.501 1.00 0.00 C +ATOM 64 CD1 ILE A 4 -8.019 0.412 2.715 1.00 0.00 C +ATOM 65 H ILE A 4 -5.906 1.656 0.283 1.00 0.00 H +ATOM 66 HA ILE A 4 -5.670 -0.941 1.568 1.00 0.00 H +ATOM 67 HB ILE A 4 -7.554 -0.192 -0.697 1.00 0.00 H +ATOM 68 HG12 ILE A 4 -7.900 1.531 0.912 1.00 0.00 H +ATOM 69 HG13 ILE A 4 -9.257 0.424 0.964 1.00 0.00 H +ATOM 70 HG21 ILE A 4 -7.509 -2.555 -0.232 1.00 0.00 H +ATOM 71 HG22 ILE A 4 -7.759 -2.271 1.501 1.00 0.00 H +ATOM 72 HG23 ILE A 4 -9.036 -1.871 0.332 1.00 0.00 H +ATOM 73 HD11 ILE A 4 -8.306 -0.585 3.049 1.00 0.00 H +ATOM 74 HD12 ILE A 4 -6.983 0.606 2.995 1.00 0.00 H +ATOM 75 HD13 ILE A 4 -8.656 1.144 3.213 1.00 0.00 H +ATOM 76 N GLN A 5 -4.907 -0.601 -1.645 1.00 0.00 N +ATOM 77 CA GLN A 5 -4.122 -1.167 -2.743 1.00 0.00 C +ATOM 78 C GLN A 5 -2.629 -1.321 -2.390 1.00 0.00 C +ATOM 79 O GLN A 5 -1.986 -2.240 -2.884 1.00 0.00 O +ATOM 80 CB GLN A 5 -4.292 -0.313 -4.013 1.00 0.00 C +ATOM 81 CG GLN A 5 -4.244 -1.171 -5.290 1.00 0.00 C +ATOM 82 CD GLN A 5 -5.576 -1.860 -5.585 1.00 0.00 C +ATOM 83 OE1 GLN A 5 -5.769 -3.044 -5.335 1.00 0.00 O +ATOM 84 NE2 GLN A 5 -6.532 -1.146 -6.152 1.00 0.00 N +ATOM 85 H GLN A 5 -5.327 0.318 -1.763 1.00 0.00 H +ATOM 86 HA GLN A 5 -4.517 -2.162 -2.940 1.00 0.00 H +ATOM 87 HB2 GLN A 5 -5.238 0.191 -3.969 1.00 0.00 H +ATOM 88 HB3 GLN A 5 -3.492 0.429 -4.053 1.00 0.00 H +ATOM 89 HG2 GLN A 5 -3.993 -0.539 -6.120 1.00 0.00 H +ATOM 90 HG3 GLN A 5 -3.458 -1.923 -5.205 1.00 0.00 H +ATOM 91 HE21 GLN A 5 -6.389 -0.184 -6.408 1.00 0.00 H +ATOM 92 HE22 GLN A 5 -7.392 -1.635 -6.335 1.00 0.00 H +ATOM 93 N TRP A 6 -2.074 -0.459 -1.528 1.00 0.00 N +ATOM 94 CA TRP A 6 -0.716 -0.631 -0.993 1.00 0.00 C +ATOM 95 C TRP A 6 -0.631 -1.766 0.044 1.00 0.00 C +ATOM 96 O TRP A 6 0.295 -2.579 -0.004 1.00 0.00 O +ATOM 97 CB TRP A 6 -0.221 0.703 -0.417 1.00 0.00 C +ATOM 98 CG TRP A 6 1.148 0.652 0.194 1.00 0.00 C +ATOM 99 CD1 TRP A 6 2.319 0.664 -0.482 1.00 0.00 C +ATOM 100 CD2 TRP A 6 1.508 0.564 1.606 1.00 0.00 C +ATOM 101 NE1 TRP A 6 3.371 0.560 0.411 1.00 0.00 N +ATOM 102 CE2 TRP A 6 2.928 0.515 1.710 1.00 0.00 C +ATOM 103 CE3 TRP A 6 0.779 0.524 2.812 1.00 0.00 C +ATOM 104 CZ2 TRP A 6 3.599 0.445 2.938 1.00 0.00 C +ATOM 105 CZ3 TRP A 6 1.439 0.433 4.053 1.00 0.00 C +ATOM 106 CH2 TRP A 6 2.842 0.407 4.120 1.00 0.00 C +ATOM 107 H TRP A 6 -2.624 0.343 -1.242 1.00 0.00 H +ATOM 108 HA TRP A 6 -0.052 -0.908 -1.813 1.00 0.00 H +ATOM 109 HB2 TRP A 6 -0.206 1.425 -1.211 1.00 0.00 H +ATOM 110 HB3 TRP A 6 -0.921 1.044 0.344 1.00 0.00 H +ATOM 111 HD1 TRP A 6 2.412 0.733 -1.558 1.00 0.00 H +ATOM 112 HE1 TRP A 6 4.360 0.536 0.156 1.00 0.00 H +ATOM 113 HE3 TRP A 6 -0.299 0.571 2.773 1.00 0.00 H +ATOM 114 HZ2 TRP A 6 4.679 0.418 2.961 1.00 0.00 H +ATOM 115 HZ3 TRP A 6 0.862 0.400 4.966 1.00 0.00 H +ATOM 116 HH2 TRP A 6 3.334 0.360 5.081 1.00 0.00 H +ATOM 117 N LEU A 7 -1.600 -1.860 0.967 1.00 0.00 N +ATOM 118 CA LEU A 7 -1.641 -2.932 1.963 1.00 0.00 C +ATOM 119 C LEU A 7 -1.847 -4.319 1.342 1.00 0.00 C +ATOM 120 O LEU A 7 -1.144 -5.248 1.742 1.00 0.00 O +ATOM 121 CB LEU A 7 -2.710 -2.645 3.033 1.00 0.00 C +ATOM 122 CG LEU A 7 -2.301 -1.579 4.069 1.00 0.00 C +ATOM 123 CD1 LEU A 7 -3.475 -1.323 5.018 1.00 0.00 C +ATOM 124 CD2 LEU A 7 -1.093 -2.007 4.914 1.00 0.00 C +ATOM 125 H LEU A 7 -2.316 -1.137 0.994 1.00 0.00 H +ATOM 126 HA LEU A 7 -0.666 -2.978 2.445 1.00 0.00 H +ATOM 127 HB2 LEU A 7 -3.600 -2.308 2.537 1.00 0.00 H +ATOM 128 HB3 LEU A 7 -2.921 -3.571 3.572 1.00 0.00 H +ATOM 129 HG LEU A 7 -2.061 -0.649 3.560 1.00 0.00 H +ATOM 130 HD11 LEU A 7 -4.343 -0.992 4.449 1.00 0.00 H +ATOM 131 HD12 LEU A 7 -3.725 -2.237 5.560 1.00 0.00 H +ATOM 132 HD13 LEU A 7 -3.211 -0.549 5.739 1.00 0.00 H +ATOM 133 HD21 LEU A 7 -1.270 -2.989 5.354 1.00 0.00 H +ATOM 134 HD22 LEU A 7 -0.195 -2.045 4.300 1.00 0.00 H +ATOM 135 HD23 LEU A 7 -0.922 -1.286 5.712 1.00 0.00 H +ATOM 136 N LYS A 8 -2.753 -4.481 0.360 1.00 0.00 N +ATOM 137 CA LYS A 8 -3.024 -5.791 -0.269 1.00 0.00 C +ATOM 138 C LYS A 8 -1.796 -6.427 -0.937 1.00 0.00 C +ATOM 139 O LYS A 8 -1.719 -7.648 -1.030 1.00 0.00 O +ATOM 140 CB LYS A 8 -4.224 -5.697 -1.232 1.00 0.00 C +ATOM 141 CG LYS A 8 -3.930 -5.009 -2.577 1.00 0.00 C +ATOM 142 CD LYS A 8 -3.682 -5.986 -3.736 1.00 0.00 C +ATOM 143 CE LYS A 8 -3.494 -5.199 -5.039 1.00 0.00 C +ATOM 144 NZ LYS A 8 -4.563 -5.483 -6.023 1.00 0.00 N +ATOM 145 H LYS A 8 -3.321 -3.675 0.097 1.00 0.00 H +ATOM 146 HA LYS A 8 -3.309 -6.478 0.529 1.00 0.00 H +ATOM 147 HB2 LYS A 8 -4.565 -6.694 -1.436 1.00 0.00 H +ATOM 148 HB3 LYS A 8 -5.019 -5.143 -0.731 1.00 0.00 H +ATOM 149 HG2 LYS A 8 -4.769 -4.390 -2.830 1.00 0.00 H +ATOM 150 HG3 LYS A 8 -3.062 -4.368 -2.469 1.00 0.00 H +ATOM 151 HD2 LYS A 8 -2.799 -6.562 -3.536 1.00 0.00 H +ATOM 152 HD3 LYS A 8 -4.524 -6.674 -3.818 1.00 0.00 H +ATOM 153 HE2 LYS A 8 -3.502 -4.150 -4.813 1.00 0.00 H +ATOM 154 HE3 LYS A 8 -2.511 -5.439 -5.457 1.00 0.00 H +ATOM 155 HZ1 LYS A 8 -4.621 -6.474 -6.211 1.00 0.00 H +ATOM 156 HZ2 LYS A 8 -5.442 -5.124 -5.657 1.00 0.00 H +ATOM 157 HZ3 LYS A 8 -4.382 -4.983 -6.881 1.00 0.00 H +ATOM 158 N ASP A 9 -0.828 -5.607 -1.355 1.00 0.00 N +ATOM 159 CA ASP A 9 0.466 -6.016 -1.905 1.00 0.00 C +ATOM 160 C ASP A 9 1.481 -6.464 -0.832 1.00 0.00 C +ATOM 161 O ASP A 9 2.545 -6.971 -1.194 1.00 0.00 O +ATOM 162 CB ASP A 9 1.033 -4.839 -2.724 1.00 0.00 C +ATOM 163 CG ASP A 9 0.672 -4.906 -4.210 1.00 0.00 C +ATOM 164 OD1 ASP A 9 -0.532 -5.051 -4.522 1.00 0.00 O +ATOM 165 OD2 ASP A 9 1.627 -4.815 -5.017 1.00 0.00 O +ATOM 166 H ASP A 9 -1.010 -4.616 -1.291 1.00 0.00 H +ATOM 167 HA ASP A 9 0.319 -6.867 -2.574 1.00 0.00 H +ATOM 168 HB2 ASP A 9 0.644 -3.924 -2.320 1.00 0.00 H +ATOM 169 HB3 ASP A 9 2.116 -4.837 -2.650 1.00 0.00 H +ATOM 170 N GLY A 10 1.185 -6.278 0.464 1.00 0.00 N +ATOM 171 CA GLY A 10 2.060 -6.618 1.593 1.00 0.00 C +ATOM 172 C GLY A 10 2.628 -5.412 2.353 1.00 0.00 C +ATOM 173 O GLY A 10 3.496 -5.594 3.208 1.00 0.00 O +ATOM 174 H GLY A 10 0.265 -5.908 0.693 1.00 0.00 H +ATOM 175 HA2 GLY A 10 1.486 -7.214 2.304 1.00 0.00 H +ATOM 176 HA3 GLY A 10 2.897 -7.228 1.252 1.00 0.00 H +ATOM 177 N GLY A 11 2.172 -4.187 2.055 1.00 0.00 N +ATOM 178 CA GLY A 11 2.626 -2.967 2.723 1.00 0.00 C +ATOM 179 C GLY A 11 4.157 -2.802 2.654 1.00 0.00 C +ATOM 180 O GLY A 11 4.710 -2.829 1.551 1.00 0.00 O +ATOM 181 H GLY A 11 1.481 -4.089 1.319 1.00 0.00 H +ATOM 182 HA2 GLY A 11 2.164 -2.109 2.237 1.00 0.00 H +ATOM 183 HA3 GLY A 11 2.280 -2.997 3.753 1.00 0.00 H +ATOM 184 N PRO A 12 4.871 -2.651 3.794 1.00 0.00 N +ATOM 185 CA PRO A 12 6.333 -2.533 3.806 1.00 0.00 C +ATOM 186 C PRO A 12 7.058 -3.729 3.165 1.00 0.00 C +ATOM 187 O PRO A 12 8.139 -3.562 2.601 1.00 0.00 O +ATOM 188 CB PRO A 12 6.740 -2.387 5.279 1.00 0.00 C +ATOM 189 CG PRO A 12 5.460 -1.952 5.987 1.00 0.00 C +ATOM 190 CD PRO A 12 4.362 -2.615 5.160 1.00 0.00 C +ATOM 191 HA PRO A 12 6.611 -1.626 3.267 1.00 0.00 H +ATOM 192 HB2 PRO A 12 7.091 -3.323 5.670 1.00 0.00 H +ATOM 193 HB3 PRO A 12 7.531 -1.647 5.403 1.00 0.00 H +ATOM 194 HG2 PRO A 12 5.443 -2.302 7.001 1.00 0.00 H +ATOM 195 HG3 PRO A 12 5.358 -0.867 5.929 1.00 0.00 H +ATOM 196 HD2 PRO A 12 4.173 -3.609 5.516 1.00 0.00 H +ATOM 197 HD3 PRO A 12 3.440 -2.042 5.246 1.00 0.00 H +ATOM 198 N SER A 13 6.463 -4.929 3.205 1.00 0.00 N +ATOM 199 CA SER A 13 7.049 -6.179 2.704 1.00 0.00 C +ATOM 200 C SER A 13 6.897 -6.369 1.185 1.00 0.00 C +ATOM 201 O SER A 13 7.025 -7.488 0.697 1.00 0.00 O +ATOM 202 CB SER A 13 6.458 -7.371 3.472 1.00 0.00 C +ATOM 203 OG SER A 13 6.763 -7.264 4.850 1.00 0.00 O +ATOM 204 H SER A 13 5.535 -4.999 3.613 1.00 0.00 H +ATOM 205 HA SER A 13 8.121 -6.159 2.903 1.00 0.00 H +ATOM 206 HB2 SER A 13 5.393 -7.382 3.344 1.00 0.00 H +ATOM 207 HB3 SER A 13 6.880 -8.302 3.093 1.00 0.00 H +ATOM 208 HG SER A 13 7.707 -7.394 4.970 1.00 0.00 H +ATOM 209 N SER A 14 6.637 -5.290 0.434 1.00 0.00 N +ATOM 210 CA SER A 14 6.389 -5.315 -1.015 1.00 0.00 C +ATOM 211 C SER A 14 7.332 -4.405 -1.823 1.00 0.00 C +ATOM 212 O SER A 14 7.082 -4.123 -2.993 1.00 0.00 O +ATOM 213 CB SER A 14 4.914 -4.993 -1.265 1.00 0.00 C +ATOM 214 OG SER A 14 4.431 -5.743 -2.358 1.00 0.00 O +ATOM 215 H SER A 14 6.509 -4.415 0.930 1.00 0.00 H +ATOM 216 HA SER A 14 6.562 -6.329 -1.378 1.00 0.00 H +ATOM 217 HB2 SER A 14 4.344 -5.236 -0.389 1.00 0.00 H +ATOM 218 HB3 SER A 14 4.778 -3.934 -1.457 1.00 0.00 H +ATOM 219 HG SER A 14 3.714 -6.324 -1.987 1.00 0.00 H +ATOM 220 N GLY A 15 8.419 -3.920 -1.202 1.00 0.00 N +ATOM 221 CA GLY A 15 9.451 -3.116 -1.870 1.00 0.00 C +ATOM 222 C GLY A 15 8.984 -1.725 -2.316 1.00 0.00 C +ATOM 223 O GLY A 15 9.539 -1.177 -3.267 1.00 0.00 O +ATOM 224 H GLY A 15 8.573 -4.210 -0.246 1.00 0.00 H +ATOM 225 HA2 GLY A 15 10.297 -2.987 -1.194 1.00 0.00 H +ATOM 226 HA3 GLY A 15 9.805 -3.652 -2.752 1.00 0.00 H +ATOM 227 N ARG A 16 7.956 -1.164 -1.660 1.00 0.00 N +ATOM 228 CA ARG A 16 7.289 0.084 -2.054 1.00 0.00 C +ATOM 229 C ARG A 16 6.855 0.916 -0.829 1.00 0.00 C +ATOM 230 O ARG A 16 6.222 0.366 0.076 1.00 0.00 O +ATOM 231 CB ARG A 16 6.110 -0.243 -2.994 1.00 0.00 C +ATOM 232 CG ARG A 16 5.046 -1.171 -2.378 1.00 0.00 C +ATOM 233 CD ARG A 16 3.923 -1.592 -3.338 1.00 0.00 C +ATOM 234 NE ARG A 16 4.251 -2.811 -4.100 1.00 0.00 N +ATOM 235 CZ ARG A 16 4.859 -2.914 -5.274 1.00 0.00 C +ATOM 236 NH1 ARG A 16 5.289 -1.864 -5.937 1.00 0.00 N +ATOM 237 NH2 ARG A 16 5.035 -4.095 -5.809 1.00 0.00 N +ATOM 238 H ARG A 16 7.579 -1.676 -0.874 1.00 0.00 H +ATOM 239 HA ARG A 16 8.009 0.663 -2.630 1.00 0.00 H +ATOM 240 HB2 ARG A 16 5.634 0.678 -3.269 1.00 0.00 H +ATOM 241 HB3 ARG A 16 6.524 -0.720 -3.880 1.00 0.00 H +ATOM 242 HG2 ARG A 16 5.538 -2.059 -2.031 1.00 0.00 H +ATOM 243 HG3 ARG A 16 4.579 -0.652 -1.549 1.00 0.00 H +ATOM 244 HD2 ARG A 16 3.033 -1.774 -2.766 1.00 0.00 H +ATOM 245 HD3 ARG A 16 3.669 -0.765 -4.003 1.00 0.00 H +ATOM 246 HE ARG A 16 3.963 -3.694 -3.698 1.00 0.00 H +ATOM 247 HH11 ARG A 16 5.150 -0.962 -5.521 1.00 0.00 H +ATOM 248 HH12 ARG A 16 5.761 -1.962 -6.815 1.00 0.00 H +ATOM 249 HH21 ARG A 16 4.649 -4.894 -5.327 1.00 0.00 H +ATOM 250 HH22 ARG A 16 5.508 -4.205 -6.684 1.00 0.00 H +ATOM 251 N PRO A 17 7.156 2.230 -0.780 1.00 0.00 N +ATOM 252 CA PRO A 17 6.782 3.088 0.345 1.00 0.00 C +ATOM 253 C PRO A 17 5.261 3.331 0.395 1.00 0.00 C +ATOM 254 O PRO A 17 4.586 3.165 -0.624 1.00 0.00 O +ATOM 255 CB PRO A 17 7.554 4.394 0.119 1.00 0.00 C +ATOM 256 CG PRO A 17 7.677 4.474 -1.401 1.00 0.00 C +ATOM 257 CD PRO A 17 7.820 3.010 -1.816 1.00 0.00 C +ATOM 258 HA PRO A 17 7.107 2.628 1.279 1.00 0.00 H +ATOM 259 HB2 PRO A 17 7.009 5.234 0.505 1.00 0.00 H +ATOM 260 HB3 PRO A 17 8.548 4.308 0.561 1.00 0.00 H +ATOM 261 HG2 PRO A 17 6.800 4.914 -1.836 1.00 0.00 H +ATOM 262 HG3 PRO A 17 8.540 5.066 -1.707 1.00 0.00 H +ATOM 263 HD2 PRO A 17 7.349 2.844 -2.766 1.00 0.00 H +ATOM 264 HD3 PRO A 17 8.876 2.739 -1.855 1.00 0.00 H +ATOM 265 N PRO A 18 4.710 3.739 1.555 1.00 0.00 N +ATOM 266 CA PRO A 18 3.287 4.031 1.686 1.00 0.00 C +ATOM 267 C PRO A 18 2.901 5.305 0.913 1.00 0.00 C +ATOM 268 O PRO A 18 3.684 6.256 0.871 1.00 0.00 O +ATOM 269 CB PRO A 18 3.035 4.190 3.187 1.00 0.00 C +ATOM 270 CG PRO A 18 4.385 4.655 3.729 1.00 0.00 C +ATOM 271 CD PRO A 18 5.393 3.949 2.823 1.00 0.00 C +ATOM 272 HA PRO A 18 2.719 3.181 1.316 1.00 0.00 H +ATOM 273 HB2 PRO A 18 2.274 4.924 3.372 1.00 0.00 H +ATOM 274 HB3 PRO A 18 2.781 3.223 3.618 1.00 0.00 H +ATOM 275 HG2 PRO A 18 4.482 5.721 3.654 1.00 0.00 H +ATOM 276 HG3 PRO A 18 4.518 4.377 4.775 1.00 0.00 H +ATOM 277 HD2 PRO A 18 6.262 4.562 2.682 1.00 0.00 H +ATOM 278 HD3 PRO A 18 5.662 2.983 3.253 1.00 0.00 H +ATOM 279 N PRO A 19 1.688 5.360 0.336 1.00 0.00 N +ATOM 280 CA PRO A 19 1.185 6.543 -0.353 1.00 0.00 C +ATOM 281 C PRO A 19 0.715 7.607 0.655 1.00 0.00 C +ATOM 282 O PRO A 19 -0.124 7.324 1.513 1.00 0.00 O +ATOM 283 CB PRO A 19 0.048 6.014 -1.229 1.00 0.00 C +ATOM 284 CG PRO A 19 -0.519 4.852 -0.412 1.00 0.00 C +ATOM 285 CD PRO A 19 0.716 4.275 0.272 1.00 0.00 C +ATOM 286 HA PRO A 19 1.961 6.966 -0.991 1.00 0.00 H +ATOM 287 HB2 PRO A 19 -0.697 6.770 -1.389 1.00 0.00 H +ATOM 288 HB3 PRO A 19 0.463 5.630 -2.162 1.00 0.00 H +ATOM 289 HG2 PRO A 19 -1.232 5.201 0.310 1.00 0.00 H +ATOM 290 HG3 PRO A 19 -1.019 4.114 -1.041 1.00 0.00 H +ATOM 291 HD2 PRO A 19 0.470 3.937 1.260 1.00 0.00 H +ATOM 292 HD3 PRO A 19 1.121 3.461 -0.329 1.00 0.00 H +ATOM 293 N SER A 20 1.271 8.822 0.549 1.00 0.00 N +ATOM 294 CA SER A 20 0.852 10.027 1.285 1.00 0.00 C +ATOM 295 C SER A 20 -0.406 10.657 0.683 1.00 0.00 C +ATOM 296 O SER A 20 -0.387 10.916 -0.540 1.00 0.00 O +ATOM 297 CB SER A 20 1.972 11.071 1.284 1.00 0.00 C +ATOM 298 OG SER A 20 3.120 10.541 1.911 1.00 0.00 O +ATOM 299 OXT SER A 20 -1.341 10.903 1.473 1.00 0.00 O +ATOM 300 H SER A 20 1.969 8.961 -0.165 1.00 0.00 H +ATOM 301 HA SER A 20 0.601 9.760 2.310 1.00 0.00 H +ATOM 302 HB2 SER A 20 2.210 11.338 0.272 1.00 0.00 H +ATOM 303 HB3 SER A 20 1.636 11.959 1.824 1.00 0.00 H +ATOM 304 HG SER A 20 2.831 10.040 2.676 1.00 0.00 H +TER 305 SER A 20 +ENDMDL +MODEL 2 +ATOM 1 N ASN A 1 -6.919 6.901 0.917 1.00 0.00 N +ATOM 2 CA ASN A 1 -7.682 6.025 -0.010 1.00 0.00 C +ATOM 3 C ASN A 1 -6.840 4.889 -0.589 1.00 0.00 C +ATOM 4 O ASN A 1 -7.106 3.741 -0.253 1.00 0.00 O +ATOM 5 CB ASN A 1 -8.428 6.847 -1.072 1.00 0.00 C +ATOM 6 CG ASN A 1 -9.504 7.659 -0.362 1.00 0.00 C +ATOM 7 OD1 ASN A 1 -9.180 8.568 0.382 1.00 0.00 O +ATOM 8 ND2 ASN A 1 -10.768 7.290 -0.468 1.00 0.00 N +ATOM 9 H1 ASN A 1 -6.513 6.358 1.667 1.00 0.00 H +ATOM 10 H2 ASN A 1 -6.191 7.398 0.422 1.00 0.00 H +ATOM 11 H3 ASN A 1 -7.553 7.592 1.308 1.00 0.00 H +ATOM 12 HA ASN A 1 -8.451 5.523 0.581 1.00 0.00 H +ATOM 13 HB2 ASN A 1 -7.743 7.506 -1.571 1.00 0.00 H +ATOM 14 HB3 ASN A 1 -8.886 6.189 -1.811 1.00 0.00 H +ATOM 15 HD21 ASN A 1 -11.078 6.519 -1.037 1.00 0.00 H +ATOM 16 HD22 ASN A 1 -11.417 7.848 0.064 1.00 0.00 H +ATOM 17 N LEU A 2 -5.819 5.175 -1.412 1.00 0.00 N +ATOM 18 CA LEU A 2 -5.020 4.162 -2.130 1.00 0.00 C +ATOM 19 C LEU A 2 -4.244 3.179 -1.224 1.00 0.00 C +ATOM 20 O LEU A 2 -3.761 2.148 -1.693 1.00 0.00 O +ATOM 21 CB LEU A 2 -4.073 4.863 -3.128 1.00 0.00 C +ATOM 22 CG LEU A 2 -4.831 5.608 -4.250 1.00 0.00 C +ATOM 23 CD1 LEU A 2 -5.010 7.109 -3.963 1.00 0.00 C +ATOM 24 CD2 LEU A 2 -4.110 5.465 -5.592 1.00 0.00 C +ATOM 25 H LEU A 2 -5.631 6.133 -1.665 1.00 0.00 H +ATOM 26 HA LEU A 2 -5.709 3.545 -2.710 1.00 0.00 H +ATOM 27 HB2 LEU A 2 -3.472 5.572 -2.591 1.00 0.00 H +ATOM 28 HB3 LEU A 2 -3.451 4.089 -3.583 1.00 0.00 H +ATOM 29 HG LEU A 2 -5.820 5.160 -4.359 1.00 0.00 H +ATOM 30 HD11 LEU A 2 -5.173 7.303 -2.907 1.00 0.00 H +ATOM 31 HD12 LEU A 2 -4.124 7.663 -4.273 1.00 0.00 H +ATOM 32 HD13 LEU A 2 -5.867 7.480 -4.526 1.00 0.00 H +ATOM 33 HD21 LEU A 2 -3.114 5.904 -5.535 1.00 0.00 H +ATOM 34 HD22 LEU A 2 -4.023 4.410 -5.855 1.00 0.00 H +ATOM 35 HD23 LEU A 2 -4.683 5.969 -6.371 1.00 0.00 H +ATOM 36 N TYR A 3 -4.181 3.456 0.082 1.00 0.00 N +ATOM 37 CA TYR A 3 -3.537 2.636 1.105 1.00 0.00 C +ATOM 38 C TYR A 3 -4.038 1.181 1.139 1.00 0.00 C +ATOM 39 O TYR A 3 -3.259 0.273 1.413 1.00 0.00 O +ATOM 40 CB TYR A 3 -3.727 3.313 2.471 1.00 0.00 C +ATOM 41 CG TYR A 3 -2.520 3.154 3.365 1.00 0.00 C +ATOM 42 CD1 TYR A 3 -2.382 2.007 4.169 1.00 0.00 C +ATOM 43 CD2 TYR A 3 -1.514 4.139 3.357 1.00 0.00 C +ATOM 44 CE1 TYR A 3 -1.233 1.840 4.963 1.00 0.00 C +ATOM 45 CE2 TYR A 3 -0.365 3.977 4.149 1.00 0.00 C +ATOM 46 CZ TYR A 3 -0.218 2.820 4.947 1.00 0.00 C +ATOM 47 OH TYR A 3 0.909 2.639 5.687 1.00 0.00 O +ATOM 48 H TYR A 3 -4.618 4.309 0.378 1.00 0.00 H +ATOM 49 HA TYR A 3 -2.470 2.610 0.881 1.00 0.00 H +ATOM 50 HB2 TYR A 3 -3.905 4.360 2.315 1.00 0.00 H +ATOM 51 HB3 TYR A 3 -4.610 2.907 2.968 1.00 0.00 H +ATOM 52 HD1 TYR A 3 -3.154 1.253 4.165 1.00 0.00 H +ATOM 53 HD2 TYR A 3 -1.614 5.025 2.743 1.00 0.00 H +ATOM 54 HE1 TYR A 3 -1.110 0.964 5.579 1.00 0.00 H +ATOM 55 HE2 TYR A 3 0.390 4.746 4.148 1.00 0.00 H +ATOM 56 HH TYR A 3 1.602 3.248 5.433 1.00 0.00 H +ATOM 57 N ILE A 4 -5.316 0.947 0.804 1.00 0.00 N +ATOM 58 CA ILE A 4 -5.914 -0.393 0.686 1.00 0.00 C +ATOM 59 C ILE A 4 -5.157 -1.200 -0.382 1.00 0.00 C +ATOM 60 O ILE A 4 -4.755 -2.338 -0.140 1.00 0.00 O +ATOM 61 CB ILE A 4 -7.421 -0.283 0.330 1.00 0.00 C +ATOM 62 CG1 ILE A 4 -8.214 0.632 1.300 1.00 0.00 C +ATOM 63 CG2 ILE A 4 -8.099 -1.670 0.270 1.00 0.00 C +ATOM 64 CD1 ILE A 4 -9.489 1.191 0.662 1.00 0.00 C +ATOM 65 H ILE A 4 -5.889 1.753 0.580 1.00 0.00 H +ATOM 66 HA ILE A 4 -5.814 -0.911 1.639 1.00 0.00 H +ATOM 67 HB ILE A 4 -7.477 0.157 -0.667 1.00 0.00 H +ATOM 68 HG12 ILE A 4 -8.484 0.062 2.168 1.00 0.00 H +ATOM 69 HG13 ILE A 4 -7.616 1.489 1.603 1.00 0.00 H +ATOM 70 HG21 ILE A 4 -7.421 -2.428 -0.112 1.00 0.00 H +ATOM 71 HG22 ILE A 4 -8.432 -1.979 1.263 1.00 0.00 H +ATOM 72 HG23 ILE A 4 -8.967 -1.620 -0.389 1.00 0.00 H +ATOM 73 HD11 ILE A 4 -9.235 1.742 -0.245 1.00 0.00 H +ATOM 74 HD12 ILE A 4 -10.180 0.385 0.416 1.00 0.00 H +ATOM 75 HD13 ILE A 4 -9.973 1.875 1.360 1.00 0.00 H +ATOM 76 N GLN A 5 -4.948 -0.605 -1.564 1.00 0.00 N +ATOM 77 CA GLN A 5 -4.253 -1.225 -2.692 1.00 0.00 C +ATOM 78 C GLN A 5 -2.763 -1.444 -2.393 1.00 0.00 C +ATOM 79 O GLN A 5 -2.186 -2.435 -2.832 1.00 0.00 O +ATOM 80 CB GLN A 5 -4.443 -0.345 -3.944 1.00 0.00 C +ATOM 81 CG GLN A 5 -4.608 -1.157 -5.242 1.00 0.00 C +ATOM 82 CD GLN A 5 -5.950 -0.859 -5.909 1.00 0.00 C +ATOM 83 OE1 GLN A 5 -6.138 0.164 -6.544 1.00 0.00 O +ATOM 84 NE2 GLN A 5 -6.941 -1.718 -5.770 1.00 0.00 N +ATOM 85 H GLN A 5 -5.217 0.365 -1.657 1.00 0.00 H +ATOM 86 HA GLN A 5 -4.707 -2.201 -2.864 1.00 0.00 H +ATOM 87 HB2 GLN A 5 -5.320 0.258 -3.806 1.00 0.00 H +ATOM 88 HB3 GLN A 5 -3.591 0.328 -4.050 1.00 0.00 H +ATOM 89 HG2 GLN A 5 -3.816 -0.901 -5.919 1.00 0.00 H +ATOM 90 HG3 GLN A 5 -4.525 -2.228 -5.051 1.00 0.00 H +ATOM 91 HE21 GLN A 5 -6.847 -2.590 -5.280 1.00 0.00 H +ATOM 92 HE22 GLN A 5 -7.781 -1.439 -6.247 1.00 0.00 H +ATOM 93 N TRP A 6 -2.145 -0.549 -1.610 1.00 0.00 N +ATOM 94 CA TRP A 6 -0.791 -0.749 -1.090 1.00 0.00 C +ATOM 95 C TRP A 6 -0.713 -1.909 -0.084 1.00 0.00 C +ATOM 96 O TRP A 6 0.161 -2.766 -0.210 1.00 0.00 O +ATOM 97 CB TRP A 6 -0.266 0.564 -0.501 1.00 0.00 C +ATOM 98 CG TRP A 6 1.149 0.501 -0.014 1.00 0.00 C +ATOM 99 CD1 TRP A 6 2.254 0.539 -0.795 1.00 0.00 C +ATOM 100 CD2 TRP A 6 1.637 0.388 1.358 1.00 0.00 C +ATOM 101 NE1 TRP A 6 3.382 0.433 -0.006 1.00 0.00 N +ATOM 102 CE2 TRP A 6 3.062 0.366 1.327 1.00 0.00 C +ATOM 103 CE3 TRP A 6 1.023 0.313 2.627 1.00 0.00 C +ATOM 104 CZ2 TRP A 6 3.844 0.308 2.487 1.00 0.00 C +ATOM 105 CZ3 TRP A 6 1.800 0.231 3.799 1.00 0.00 C +ATOM 106 CH2 TRP A 6 3.205 0.246 3.733 1.00 0.00 C +ATOM 107 H TRP A 6 -2.669 0.277 -1.341 1.00 0.00 H +ATOM 108 HA TRP A 6 -0.144 -1.024 -1.920 1.00 0.00 H +ATOM 109 HB2 TRP A 6 -0.327 1.320 -1.260 1.00 0.00 H +ATOM 110 HB3 TRP A 6 -0.903 0.868 0.329 1.00 0.00 H +ATOM 111 HD1 TRP A 6 2.260 0.636 -1.868 1.00 0.00 H +ATOM 112 HE1 TRP A 6 4.347 0.425 -0.348 1.00 0.00 H +ATOM 113 HE3 TRP A 6 -0.055 0.327 2.692 1.00 0.00 H +ATOM 114 HZ2 TRP A 6 4.922 0.297 2.403 1.00 0.00 H +ATOM 115 HZ3 TRP A 6 1.315 0.170 4.763 1.00 0.00 H +ATOM 116 HH2 TRP A 6 3.791 0.201 4.639 1.00 0.00 H +ATOM 117 N LEU A 7 -1.646 -1.992 0.877 1.00 0.00 N +ATOM 118 CA LEU A 7 -1.701 -3.105 1.831 1.00 0.00 C +ATOM 119 C LEU A 7 -1.917 -4.465 1.152 1.00 0.00 C +ATOM 120 O LEU A 7 -1.290 -5.437 1.570 1.00 0.00 O +ATOM 121 CB LEU A 7 -2.777 -2.856 2.905 1.00 0.00 C +ATOM 122 CG LEU A 7 -2.370 -1.808 3.958 1.00 0.00 C +ATOM 123 CD1 LEU A 7 -3.595 -1.444 4.805 1.00 0.00 C +ATOM 124 CD2 LEU A 7 -1.255 -2.296 4.897 1.00 0.00 C +ATOM 125 H LEU A 7 -2.325 -1.238 0.964 1.00 0.00 H +ATOM 126 HA LEU A 7 -0.726 -3.167 2.315 1.00 0.00 H +ATOM 127 HB2 LEU A 7 -3.670 -2.517 2.417 1.00 0.00 H +ATOM 128 HB3 LEU A 7 -2.988 -3.793 3.422 1.00 0.00 H +ATOM 129 HG LEU A 7 -2.023 -0.911 3.448 1.00 0.00 H +ATOM 130 HD11 LEU A 7 -4.368 -1.013 4.171 1.00 0.00 H +ATOM 131 HD12 LEU A 7 -3.990 -2.337 5.292 1.00 0.00 H +ATOM 132 HD13 LEU A 7 -3.314 -0.721 5.570 1.00 0.00 H +ATOM 133 HD21 LEU A 7 -1.674 -2.706 5.816 1.00 0.00 H +ATOM 134 HD22 LEU A 7 -0.651 -3.072 4.431 1.00 0.00 H +ATOM 135 HD23 LEU A 7 -0.606 -1.459 5.148 1.00 0.00 H +ATOM 136 N LYS A 8 -2.727 -4.538 0.081 1.00 0.00 N +ATOM 137 CA LYS A 8 -2.916 -5.759 -0.732 1.00 0.00 C +ATOM 138 C LYS A 8 -1.597 -6.366 -1.231 1.00 0.00 C +ATOM 139 O LYS A 8 -1.499 -7.582 -1.342 1.00 0.00 O +ATOM 140 CB LYS A 8 -3.803 -5.459 -1.952 1.00 0.00 C +ATOM 141 CG LYS A 8 -5.289 -5.218 -1.653 1.00 0.00 C +ATOM 142 CD LYS A 8 -6.117 -6.512 -1.588 1.00 0.00 C +ATOM 143 CE LYS A 8 -7.591 -6.248 -1.927 1.00 0.00 C +ATOM 144 NZ LYS A 8 -8.242 -5.337 -0.956 1.00 0.00 N +ATOM 145 H LYS A 8 -3.244 -3.695 -0.159 1.00 0.00 H +ATOM 146 HA LYS A 8 -3.390 -6.527 -0.119 1.00 0.00 H +ATOM 147 HB2 LYS A 8 -3.417 -4.581 -2.432 1.00 0.00 H +ATOM 148 HB3 LYS A 8 -3.718 -6.282 -2.665 1.00 0.00 H +ATOM 149 HG2 LYS A 8 -5.369 -4.715 -0.708 1.00 0.00 H +ATOM 150 HG3 LYS A 8 -5.682 -4.593 -2.456 1.00 0.00 H +ATOM 151 HD2 LYS A 8 -5.718 -7.218 -2.290 1.00 0.00 H +ATOM 152 HD3 LYS A 8 -6.028 -6.959 -0.595 1.00 0.00 H +ATOM 153 HE2 LYS A 8 -7.646 -5.806 -2.903 1.00 0.00 H +ATOM 154 HE3 LYS A 8 -8.119 -7.204 -1.955 1.00 0.00 H +ATOM 155 HZ1 LYS A 8 -8.219 -5.741 -0.030 1.00 0.00 H +ATOM 156 HZ2 LYS A 8 -7.756 -4.452 -0.934 1.00 0.00 H +ATOM 157 HZ3 LYS A 8 -9.207 -5.176 -1.217 1.00 0.00 H +ATOM 158 N ASP A 9 -0.598 -5.528 -1.520 1.00 0.00 N +ATOM 159 CA ASP A 9 0.739 -5.926 -1.971 1.00 0.00 C +ATOM 160 C ASP A 9 1.608 -6.494 -0.823 1.00 0.00 C +ATOM 161 O ASP A 9 2.705 -7.002 -1.069 1.00 0.00 O +ATOM 162 CB ASP A 9 1.387 -4.675 -2.604 1.00 0.00 C +ATOM 163 CG ASP A 9 2.379 -4.929 -3.745 1.00 0.00 C +ATOM 164 OD1 ASP A 9 2.947 -6.037 -3.844 1.00 0.00 O +ATOM 165 OD2 ASP A 9 2.565 -3.967 -4.523 1.00 0.00 O +ATOM 166 H ASP A 9 -0.766 -4.537 -1.399 1.00 0.00 H +ATOM 167 HA ASP A 9 0.643 -6.697 -2.737 1.00 0.00 H +ATOM 168 HB2 ASP A 9 0.598 -4.057 -2.988 1.00 0.00 H +ATOM 169 HB3 ASP A 9 1.882 -4.089 -1.828 1.00 0.00 H +ATOM 170 N GLY A 10 1.186 -6.365 0.446 1.00 0.00 N +ATOM 171 CA GLY A 10 1.973 -6.740 1.632 1.00 0.00 C +ATOM 172 C GLY A 10 2.532 -5.564 2.451 1.00 0.00 C +ATOM 173 O GLY A 10 3.354 -5.783 3.347 1.00 0.00 O +ATOM 174 H GLY A 10 0.256 -5.985 0.605 1.00 0.00 H +ATOM 175 HA2 GLY A 10 1.333 -7.328 2.291 1.00 0.00 H +ATOM 176 HA3 GLY A 10 2.812 -7.373 1.342 1.00 0.00 H +ATOM 177 N GLY A 11 2.105 -4.325 2.171 1.00 0.00 N +ATOM 178 CA GLY A 11 2.505 -3.133 2.918 1.00 0.00 C +ATOM 179 C GLY A 11 4.031 -2.908 2.926 1.00 0.00 C +ATOM 180 O GLY A 11 4.638 -2.849 1.855 1.00 0.00 O +ATOM 181 H GLY A 11 1.516 -4.204 1.357 1.00 0.00 H +ATOM 182 HA2 GLY A 11 2.038 -2.263 2.459 1.00 0.00 H +ATOM 183 HA3 GLY A 11 2.123 -3.226 3.932 1.00 0.00 H +ATOM 184 N PRO A 12 4.693 -2.777 4.097 1.00 0.00 N +ATOM 185 CA PRO A 12 6.148 -2.595 4.163 1.00 0.00 C +ATOM 186 C PRO A 12 6.957 -3.724 3.506 1.00 0.00 C +ATOM 187 O PRO A 12 8.099 -3.504 3.110 1.00 0.00 O +ATOM 188 CB PRO A 12 6.499 -2.497 5.652 1.00 0.00 C +ATOM 189 CG PRO A 12 5.185 -2.111 6.326 1.00 0.00 C +ATOM 190 CD PRO A 12 4.127 -2.769 5.441 1.00 0.00 C +ATOM 191 HA PRO A 12 6.400 -1.655 3.673 1.00 0.00 H +ATOM 192 HB2 PRO A 12 6.853 -3.440 6.022 1.00 0.00 H +ATOM 193 HB3 PRO A 12 7.273 -1.749 5.829 1.00 0.00 H +ATOM 194 HG2 PRO A 12 5.140 -2.494 7.327 1.00 0.00 H +ATOM 195 HG3 PRO A 12 5.066 -1.027 6.297 1.00 0.00 H +ATOM 196 HD2 PRO A 12 3.932 -3.771 5.772 1.00 0.00 H +ATOM 197 HD3 PRO A 12 3.200 -2.199 5.491 1.00 0.00 H +ATOM 198 N SER A 13 6.381 -4.927 3.375 1.00 0.00 N +ATOM 199 CA SER A 13 7.056 -6.106 2.818 1.00 0.00 C +ATOM 200 C SER A 13 7.017 -6.159 1.275 1.00 0.00 C +ATOM 201 O SER A 13 7.448 -7.142 0.680 1.00 0.00 O +ATOM 202 CB SER A 13 6.474 -7.366 3.479 1.00 0.00 C +ATOM 203 OG SER A 13 7.471 -8.354 3.649 1.00 0.00 O +ATOM 204 H SER A 13 5.406 -5.030 3.647 1.00 0.00 H +ATOM 205 HA SER A 13 8.108 -6.044 3.095 1.00 0.00 H +ATOM 206 HB2 SER A 13 6.071 -7.105 4.439 1.00 0.00 H +ATOM 207 HB3 SER A 13 5.651 -7.761 2.885 1.00 0.00 H +ATOM 208 HG SER A 13 8.161 -8.011 4.225 1.00 0.00 H +ATOM 209 N SER A 14 6.529 -5.095 0.619 1.00 0.00 N +ATOM 210 CA SER A 14 6.302 -5.007 -0.834 1.00 0.00 C +ATOM 211 C SER A 14 7.350 -4.180 -1.591 1.00 0.00 C +ATOM 212 O SER A 14 7.202 -3.947 -2.792 1.00 0.00 O +ATOM 213 CB SER A 14 4.935 -4.369 -1.091 1.00 0.00 C +ATOM 214 OG SER A 14 3.965 -4.957 -0.265 1.00 0.00 O +ATOM 215 H SER A 14 6.105 -4.361 1.178 1.00 0.00 H +ATOM 216 HA SER A 14 6.289 -6.011 -1.260 1.00 0.00 H +ATOM 217 HB2 SER A 14 4.989 -3.318 -0.882 1.00 0.00 H +ATOM 218 HB3 SER A 14 4.656 -4.489 -2.138 1.00 0.00 H +ATOM 219 HG SER A 14 3.647 -5.806 -0.666 1.00 0.00 H +ATOM 220 N GLY A 15 8.373 -3.654 -0.908 1.00 0.00 N +ATOM 221 CA GLY A 15 9.445 -2.839 -1.497 1.00 0.00 C +ATOM 222 C GLY A 15 9.049 -1.393 -1.840 1.00 0.00 C +ATOM 223 O GLY A 15 9.855 -0.483 -1.659 1.00 0.00 O +ATOM 224 H GLY A 15 8.407 -3.857 0.081 1.00 0.00 H +ATOM 225 HA2 GLY A 15 10.287 -2.809 -0.807 1.00 0.00 H +ATOM 226 HA3 GLY A 15 9.786 -3.320 -2.417 1.00 0.00 H +ATOM 227 N ARG A 16 7.819 -1.163 -2.323 1.00 0.00 N +ATOM 228 CA ARG A 16 7.267 0.167 -2.623 1.00 0.00 C +ATOM 229 C ARG A 16 6.861 0.912 -1.332 1.00 0.00 C +ATOM 230 O ARG A 16 6.127 0.334 -0.526 1.00 0.00 O +ATOM 231 CB ARG A 16 6.068 -0.003 -3.571 1.00 0.00 C +ATOM 232 CG ARG A 16 5.414 1.333 -3.977 1.00 0.00 C +ATOM 233 CD ARG A 16 4.325 1.183 -5.049 1.00 0.00 C +ATOM 234 NE ARG A 16 3.153 0.425 -4.574 1.00 0.00 N +ATOM 235 CZ ARG A 16 2.950 -0.885 -4.652 1.00 0.00 C +ATOM 236 NH1 ARG A 16 3.781 -1.719 -5.224 1.00 0.00 N +ATOM 237 NH2 ARG A 16 1.882 -1.432 -4.137 1.00 0.00 N +ATOM 238 H ARG A 16 7.253 -1.991 -2.486 1.00 0.00 H +ATOM 239 HA ARG A 16 8.044 0.730 -3.139 1.00 0.00 H +ATOM 240 HB2 ARG A 16 6.405 -0.501 -4.460 1.00 0.00 H +ATOM 241 HB3 ARG A 16 5.323 -0.632 -3.081 1.00 0.00 H +ATOM 242 HG2 ARG A 16 4.972 1.774 -3.104 1.00 0.00 H +ATOM 243 HG3 ARG A 16 6.184 1.994 -4.374 1.00 0.00 H +ATOM 244 HD2 ARG A 16 4.002 2.161 -5.348 1.00 0.00 H +ATOM 245 HD3 ARG A 16 4.750 0.718 -5.940 1.00 0.00 H +ATOM 246 HE ARG A 16 2.420 0.960 -4.143 1.00 0.00 H +ATOM 247 HH11 ARG A 16 4.628 -1.423 -5.666 1.00 0.00 H +ATOM 248 HH12 ARG A 16 3.523 -2.718 -5.142 1.00 0.00 H +ATOM 249 HH21 ARG A 16 1.142 -0.941 -3.681 1.00 0.00 H +ATOM 250 HH22 ARG A 16 1.880 -2.460 -4.219 1.00 0.00 H +ATOM 251 N PRO A 17 7.251 2.191 -1.139 1.00 0.00 N +ATOM 252 CA PRO A 17 6.871 2.981 0.038 1.00 0.00 C +ATOM 253 C PRO A 17 5.351 3.255 0.119 1.00 0.00 C +ATOM 254 O PRO A 17 4.652 3.132 -0.890 1.00 0.00 O +ATOM 255 CB PRO A 17 7.673 4.286 -0.077 1.00 0.00 C +ATOM 256 CG PRO A 17 7.906 4.435 -1.577 1.00 0.00 C +ATOM 257 CD PRO A 17 8.086 2.989 -2.028 1.00 0.00 C +ATOM 258 HA PRO A 17 7.180 2.447 0.936 1.00 0.00 H +ATOM 259 HB2 PRO A 17 7.111 5.116 0.307 1.00 0.00 H +ATOM 260 HB3 PRO A 17 8.633 4.169 0.430 1.00 0.00 H +ATOM 261 HG2 PRO A 17 7.061 4.889 -2.058 1.00 0.00 H +ATOM 262 HG3 PRO A 17 8.783 5.042 -1.795 1.00 0.00 H +ATOM 263 HD2 PRO A 17 7.767 2.872 -3.046 1.00 0.00 H +ATOM 264 HD3 PRO A 17 9.129 2.692 -1.905 1.00 0.00 H +ATOM 265 N PRO A 18 4.829 3.643 1.300 1.00 0.00 N +ATOM 266 CA PRO A 18 3.403 3.904 1.495 1.00 0.00 C +ATOM 267 C PRO A 18 2.923 5.149 0.722 1.00 0.00 C +ATOM 268 O PRO A 18 3.644 6.147 0.672 1.00 0.00 O +ATOM 269 CB PRO A 18 3.222 4.081 3.006 1.00 0.00 C +ATOM 270 CG PRO A 18 4.595 4.541 3.490 1.00 0.00 C +ATOM 271 CD PRO A 18 5.551 3.810 2.554 1.00 0.00 C +ATOM 272 HA PRO A 18 2.843 3.030 1.174 1.00 0.00 H +ATOM 273 HB2 PRO A 18 2.475 4.822 3.217 1.00 0.00 H +ATOM 274 HB3 PRO A 18 2.979 3.120 3.459 1.00 0.00 H +ATOM 275 HG2 PRO A 18 4.701 5.605 3.396 1.00 0.00 H +ATOM 276 HG3 PRO A 18 4.768 4.278 4.535 1.00 0.00 H +ATOM 277 HD2 PRO A 18 6.440 4.391 2.399 1.00 0.00 H +ATOM 278 HD3 PRO A 18 5.790 2.828 2.968 1.00 0.00 H +ATOM 279 N PRO A 19 1.700 5.129 0.152 1.00 0.00 N +ATOM 280 CA PRO A 19 1.125 6.268 -0.557 1.00 0.00 C +ATOM 281 C PRO A 19 0.575 7.306 0.435 1.00 0.00 C +ATOM 282 O PRO A 19 -0.344 7.009 1.205 1.00 0.00 O +ATOM 283 CB PRO A 19 0.028 5.669 -1.440 1.00 0.00 C +ATOM 284 CG PRO A 19 -0.475 4.478 -0.625 1.00 0.00 C +ATOM 285 CD PRO A 19 0.782 3.998 0.106 1.00 0.00 C +ATOM 286 HA PRO A 19 1.879 6.738 -1.190 1.00 0.00 H +ATOM 287 HB2 PRO A 19 -0.759 6.379 -1.608 1.00 0.00 H +ATOM 288 HB3 PRO A 19 0.474 5.307 -2.369 1.00 0.00 H +ATOM 289 HG2 PRO A 19 -1.233 4.781 0.071 1.00 0.00 H +ATOM 290 HG3 PRO A 19 -0.891 3.701 -1.265 1.00 0.00 H +ATOM 291 HD2 PRO A 19 0.533 3.683 1.101 1.00 0.00 H +ATOM 292 HD3 PRO A 19 1.245 3.191 -0.461 1.00 0.00 H +ATOM 293 N SER A 20 1.145 8.513 0.410 1.00 0.00 N +ATOM 294 CA SER A 20 0.696 9.699 1.148 1.00 0.00 C +ATOM 295 C SER A 20 -0.231 10.590 0.317 1.00 0.00 C +ATOM 296 O SER A 20 -1.174 11.122 0.943 1.00 0.00 O +ATOM 297 CB SER A 20 1.911 10.475 1.671 1.00 0.00 C +ATOM 298 OG SER A 20 2.908 10.615 0.673 1.00 0.00 O +ATOM 299 OXT SER A 20 -0.010 10.716 -0.908 1.00 0.00 O +ATOM 300 H SER A 20 1.907 8.704 -0.228 1.00 0.00 H +ATOM 301 HA SER A 20 0.105 9.384 2.006 1.00 0.00 H +ATOM 302 HB2 SER A 20 1.593 11.450 1.985 1.00 0.00 H +ATOM 303 HB3 SER A 20 2.334 9.927 2.515 1.00 0.00 H +ATOM 304 HG SER A 20 3.569 11.243 0.968 1.00 0.00 H +TER 305 SER A 20 +ENDMDL +MODEL 3 +ATOM 1 N ASN A 1 -6.589 7.754 -0.571 1.00 0.00 N +ATOM 2 CA ASN A 1 -7.389 6.514 -0.405 1.00 0.00 C +ATOM 3 C ASN A 1 -6.780 5.255 -1.052 1.00 0.00 C +ATOM 4 O ASN A 1 -7.487 4.266 -1.200 1.00 0.00 O +ATOM 5 CB ASN A 1 -8.845 6.767 -0.857 1.00 0.00 C +ATOM 6 CG ASN A 1 -9.521 7.797 0.047 1.00 0.00 C +ATOM 7 OD1 ASN A 1 -8.922 8.257 1.009 1.00 0.00 O +ATOM 8 ND2 ASN A 1 -10.737 8.213 -0.242 1.00 0.00 N +ATOM 9 H1 ASN A 1 -5.686 7.665 -0.127 1.00 0.00 H +ATOM 10 H2 ASN A 1 -6.476 7.977 -1.550 1.00 0.00 H +ATOM 11 H3 ASN A 1 -7.086 8.512 -0.117 1.00 0.00 H +ATOM 12 HA ASN A 1 -7.439 6.298 0.664 1.00 0.00 H +ATOM 13 HB2 ASN A 1 -8.842 7.132 -1.866 1.00 0.00 H +ATOM 14 HB3 ASN A 1 -9.424 5.843 -0.797 1.00 0.00 H +ATOM 15 HD21 ASN A 1 -11.261 7.891 -1.039 1.00 0.00 H +ATOM 16 HD22 ASN A 1 -11.125 8.874 0.414 1.00 0.00 H +ATOM 17 N LEU A 2 -5.480 5.231 -1.392 1.00 0.00 N +ATOM 18 CA LEU A 2 -4.832 4.056 -2.001 1.00 0.00 C +ATOM 19 C LEU A 2 -4.184 3.091 -0.988 1.00 0.00 C +ATOM 20 O LEU A 2 -3.640 2.061 -1.389 1.00 0.00 O +ATOM 21 CB LEU A 2 -3.822 4.536 -3.062 1.00 0.00 C +ATOM 22 CG LEU A 2 -4.511 4.943 -4.385 1.00 0.00 C +ATOM 23 CD1 LEU A 2 -4.400 6.448 -4.640 1.00 0.00 C +ATOM 24 CD2 LEU A 2 -3.900 4.181 -5.563 1.00 0.00 C +ATOM 25 H LEU A 2 -4.873 6.022 -1.250 1.00 0.00 H +ATOM 26 HA LEU A 2 -5.585 3.455 -2.516 1.00 0.00 H +ATOM 27 HB2 LEU A 2 -3.291 5.384 -2.674 1.00 0.00 H +ATOM 28 HB3 LEU A 2 -3.120 3.726 -3.266 1.00 0.00 H +ATOM 29 HG LEU A 2 -5.571 4.692 -4.345 1.00 0.00 H +ATOM 30 HD11 LEU A 2 -4.890 6.998 -3.839 1.00 0.00 H +ATOM 31 HD12 LEU A 2 -3.352 6.744 -4.701 1.00 0.00 H +ATOM 32 HD13 LEU A 2 -4.890 6.694 -5.582 1.00 0.00 H +ATOM 33 HD21 LEU A 2 -2.824 4.351 -5.605 1.00 0.00 H +ATOM 34 HD22 LEU A 2 -4.093 3.114 -5.443 1.00 0.00 H +ATOM 35 HD23 LEU A 2 -4.353 4.513 -6.498 1.00 0.00 H +ATOM 36 N TYR A 3 -4.252 3.387 0.316 1.00 0.00 N +ATOM 37 CA TYR A 3 -3.584 2.609 1.367 1.00 0.00 C +ATOM 38 C TYR A 3 -4.003 1.131 1.375 1.00 0.00 C +ATOM 39 O TYR A 3 -3.167 0.257 1.584 1.00 0.00 O +ATOM 40 CB TYR A 3 -3.828 3.261 2.737 1.00 0.00 C +ATOM 41 CG TYR A 3 -2.625 3.147 3.649 1.00 0.00 C +ATOM 42 CD1 TYR A 3 -2.431 2.000 4.441 1.00 0.00 C +ATOM 43 CD2 TYR A 3 -1.668 4.180 3.663 1.00 0.00 C +ATOM 44 CE1 TYR A 3 -1.274 1.880 5.234 1.00 0.00 C +ATOM 45 CE2 TYR A 3 -0.512 4.070 4.456 1.00 0.00 C +ATOM 46 CZ TYR A 3 -0.306 2.910 5.235 1.00 0.00 C +ATOM 47 OH TYR A 3 0.828 2.769 5.969 1.00 0.00 O +ATOM 48 H TYR A 3 -4.725 4.233 0.586 1.00 0.00 H +ATOM 49 HA TYR A 3 -2.512 2.640 1.167 1.00 0.00 H +ATOM 50 HB2 TYR A 3 -4.053 4.300 2.590 1.00 0.00 H +ATOM 51 HB3 TYR A 3 -4.698 2.806 3.217 1.00 0.00 H +ATOM 52 HD1 TYR A 3 -3.165 1.208 4.426 1.00 0.00 H +ATOM 53 HD2 TYR A 3 -1.819 5.061 3.058 1.00 0.00 H +ATOM 54 HE1 TYR A 3 -1.103 1.003 5.839 1.00 0.00 H +ATOM 55 HE2 TYR A 3 0.213 4.873 4.463 1.00 0.00 H +ATOM 56 HH TYR A 3 1.448 3.481 5.798 1.00 0.00 H +ATOM 57 N ILE A 4 -5.279 0.849 1.085 1.00 0.00 N +ATOM 58 CA ILE A 4 -5.832 -0.507 0.951 1.00 0.00 C +ATOM 59 C ILE A 4 -5.162 -1.250 -0.218 1.00 0.00 C +ATOM 60 O ILE A 4 -4.774 -2.406 -0.080 1.00 0.00 O +ATOM 61 CB ILE A 4 -7.364 -0.433 0.749 1.00 0.00 C +ATOM 62 CG1 ILE A 4 -8.090 0.338 1.884 1.00 0.00 C +ATOM 63 CG2 ILE A 4 -7.975 -1.842 0.631 1.00 0.00 C +ATOM 64 CD1 ILE A 4 -9.163 1.282 1.326 1.00 0.00 C +ATOM 65 H ILE A 4 -5.896 1.633 0.934 1.00 0.00 H +ATOM 66 HA ILE A 4 -5.625 -1.065 1.865 1.00 0.00 H +ATOM 67 HB ILE A 4 -7.545 0.087 -0.194 1.00 0.00 H +ATOM 68 HG12 ILE A 4 -8.556 -0.369 2.543 1.00 0.00 H +ATOM 69 HG13 ILE A 4 -7.392 0.938 2.466 1.00 0.00 H +ATOM 70 HG21 ILE A 4 -7.611 -2.347 -0.263 1.00 0.00 H +ATOM 71 HG22 ILE A 4 -7.710 -2.438 1.506 1.00 0.00 H +ATOM 72 HG23 ILE A 4 -9.061 -1.773 0.565 1.00 0.00 H +ATOM 73 HD11 ILE A 4 -8.695 2.037 0.690 1.00 0.00 H +ATOM 74 HD12 ILE A 4 -9.891 0.720 0.741 1.00 0.00 H +ATOM 75 HD13 ILE A 4 -9.673 1.781 2.148 1.00 0.00 H +ATOM 76 N GLN A 5 -5.009 -0.575 -1.365 1.00 0.00 N +ATOM 77 CA GLN A 5 -4.335 -1.103 -2.553 1.00 0.00 C +ATOM 78 C GLN A 5 -2.863 -1.419 -2.249 1.00 0.00 C +ATOM 79 O GLN A 5 -2.395 -2.511 -2.553 1.00 0.00 O +ATOM 80 CB GLN A 5 -4.497 -0.107 -3.724 1.00 0.00 C +ATOM 81 CG GLN A 5 -4.929 -0.785 -5.036 1.00 0.00 C +ATOM 82 CD GLN A 5 -3.943 -1.843 -5.517 1.00 0.00 C +ATOM 83 OE1 GLN A 5 -4.193 -3.032 -5.373 1.00 0.00 O +ATOM 84 NE2 GLN A 5 -2.824 -1.457 -6.094 1.00 0.00 N +ATOM 85 H GLN A 5 -5.260 0.403 -1.368 1.00 0.00 H +ATOM 86 HA GLN A 5 -4.818 -2.043 -2.816 1.00 0.00 H +ATOM 87 HB2 GLN A 5 -5.239 0.620 -3.454 1.00 0.00 H +ATOM 88 HB3 GLN A 5 -3.566 0.435 -3.888 1.00 0.00 H +ATOM 89 HG2 GLN A 5 -5.882 -1.252 -4.881 1.00 0.00 H +ATOM 90 HG3 GLN A 5 -5.049 -0.026 -5.809 1.00 0.00 H +ATOM 91 HE21 GLN A 5 -2.586 -0.491 -6.238 1.00 0.00 H +ATOM 92 HE22 GLN A 5 -2.170 -2.206 -6.277 1.00 0.00 H +ATOM 93 N TRP A 6 -2.154 -0.497 -1.588 1.00 0.00 N +ATOM 94 CA TRP A 6 -0.771 -0.717 -1.152 1.00 0.00 C +ATOM 95 C TRP A 6 -0.632 -1.844 -0.111 1.00 0.00 C +ATOM 96 O TRP A 6 0.256 -2.687 -0.229 1.00 0.00 O +ATOM 97 CB TRP A 6 -0.212 0.604 -0.620 1.00 0.00 C +ATOM 98 CG TRP A 6 1.197 0.514 -0.129 1.00 0.00 C +ATOM 99 CD1 TRP A 6 2.296 0.452 -0.915 1.00 0.00 C +ATOM 100 CD2 TRP A 6 1.679 0.425 1.247 1.00 0.00 C +ATOM 101 NE1 TRP A 6 3.420 0.332 -0.121 1.00 0.00 N +ATOM 102 CE2 TRP A 6 3.101 0.324 1.215 1.00 0.00 C +ATOM 103 CE3 TRP A 6 1.066 0.422 2.519 1.00 0.00 C +ATOM 104 CZ2 TRP A 6 3.882 0.249 2.375 1.00 0.00 C +ATOM 105 CZ3 TRP A 6 1.839 0.334 3.694 1.00 0.00 C +ATOM 106 CH2 TRP A 6 3.243 0.260 3.625 1.00 0.00 C +ATOM 107 H TRP A 6 -2.607 0.391 -1.386 1.00 0.00 H +ATOM 108 HA TRP A 6 -0.178 -1.016 -2.020 1.00 0.00 H +ATOM 109 HB2 TRP A 6 -0.248 1.329 -1.411 1.00 0.00 H +ATOM 110 HB3 TRP A 6 -0.841 0.958 0.197 1.00 0.00 H +ATOM 111 HD1 TRP A 6 2.289 0.483 -1.998 1.00 0.00 H +ATOM 112 HE1 TRP A 6 4.387 0.296 -0.451 1.00 0.00 H +ATOM 113 HE3 TRP A 6 -0.010 0.498 2.586 1.00 0.00 H +ATOM 114 HZ2 TRP A 6 4.957 0.179 2.290 1.00 0.00 H +ATOM 115 HZ3 TRP A 6 1.352 0.341 4.659 1.00 0.00 H +ATOM 116 HH2 TRP A 6 3.829 0.212 4.531 1.00 0.00 H +ATOM 117 N LEU A 7 -1.520 -1.904 0.893 1.00 0.00 N +ATOM 118 CA LEU A 7 -1.537 -3.007 1.858 1.00 0.00 C +ATOM 119 C LEU A 7 -1.844 -4.359 1.198 1.00 0.00 C +ATOM 120 O LEU A 7 -1.228 -5.350 1.586 1.00 0.00 O +ATOM 121 CB LEU A 7 -2.520 -2.723 3.008 1.00 0.00 C +ATOM 122 CG LEU A 7 -2.010 -1.728 4.070 1.00 0.00 C +ATOM 123 CD1 LEU A 7 -3.122 -1.497 5.096 1.00 0.00 C +ATOM 124 CD2 LEU A 7 -0.775 -2.236 4.826 1.00 0.00 C +ATOM 125 H LEU A 7 -2.201 -1.155 0.992 1.00 0.00 H +ATOM 126 HA LEU A 7 -0.534 -3.107 2.271 1.00 0.00 H +ATOM 127 HB2 LEU A 7 -3.422 -2.325 2.584 1.00 0.00 H +ATOM 128 HB3 LEU A 7 -2.740 -3.665 3.514 1.00 0.00 H +ATOM 129 HG LEU A 7 -1.763 -0.780 3.597 1.00 0.00 H +ATOM 130 HD11 LEU A 7 -4.006 -1.098 4.599 1.00 0.00 H +ATOM 131 HD12 LEU A 7 -3.380 -2.437 5.585 1.00 0.00 H +ATOM 132 HD13 LEU A 7 -2.791 -0.787 5.854 1.00 0.00 H +ATOM 133 HD21 LEU A 7 -0.973 -3.222 5.249 1.00 0.00 H +ATOM 134 HD22 LEU A 7 0.080 -2.296 4.155 1.00 0.00 H +ATOM 135 HD23 LEU A 7 -0.521 -1.546 5.630 1.00 0.00 H +ATOM 136 N LYS A 8 -2.716 -4.413 0.176 1.00 0.00 N +ATOM 137 CA LYS A 8 -2.930 -5.631 -0.629 1.00 0.00 C +ATOM 138 C LYS A 8 -1.639 -6.169 -1.261 1.00 0.00 C +ATOM 139 O LYS A 8 -1.492 -7.384 -1.349 1.00 0.00 O +ATOM 140 CB LYS A 8 -3.989 -5.413 -1.725 1.00 0.00 C +ATOM 141 CG LYS A 8 -5.424 -5.638 -1.230 1.00 0.00 C +ATOM 142 CD LYS A 8 -6.411 -5.713 -2.404 1.00 0.00 C +ATOM 143 CE LYS A 8 -6.685 -4.341 -3.038 1.00 0.00 C +ATOM 144 NZ LYS A 8 -6.352 -4.311 -4.482 1.00 0.00 N +ATOM 145 H LYS A 8 -3.241 -3.572 -0.051 1.00 0.00 H +ATOM 146 HA LYS A 8 -3.274 -6.422 0.036 1.00 0.00 H +ATOM 147 HB2 LYS A 8 -3.906 -4.405 -2.084 1.00 0.00 H +ATOM 148 HB3 LYS A 8 -3.797 -6.130 -2.525 1.00 0.00 H +ATOM 149 HG2 LYS A 8 -5.464 -6.558 -0.680 1.00 0.00 H +ATOM 150 HG3 LYS A 8 -5.719 -4.846 -0.542 1.00 0.00 H +ATOM 151 HD2 LYS A 8 -6.003 -6.362 -3.154 1.00 0.00 H +ATOM 152 HD3 LYS A 8 -7.356 -6.108 -2.033 1.00 0.00 H +ATOM 153 HE2 LYS A 8 -7.726 -4.108 -2.919 1.00 0.00 H +ATOM 154 HE3 LYS A 8 -6.117 -3.577 -2.500 1.00 0.00 H +ATOM 155 HZ1 LYS A 8 -5.352 -4.135 -4.636 1.00 0.00 H +ATOM 156 HZ2 LYS A 8 -6.602 -5.176 -4.938 1.00 0.00 H +ATOM 157 HZ3 LYS A 8 -6.827 -3.549 -4.942 1.00 0.00 H +ATOM 158 N ASP A 9 -0.694 -5.301 -1.644 1.00 0.00 N +ATOM 159 CA ASP A 9 0.627 -5.715 -2.141 1.00 0.00 C +ATOM 160 C ASP A 9 1.545 -6.280 -1.027 1.00 0.00 C +ATOM 161 O ASP A 9 2.653 -6.733 -1.322 1.00 0.00 O +ATOM 162 CB ASP A 9 1.362 -4.545 -2.833 1.00 0.00 C +ATOM 163 CG ASP A 9 0.631 -3.826 -3.974 1.00 0.00 C +ATOM 164 OD1 ASP A 9 -0.157 -4.486 -4.688 1.00 0.00 O +ATOM 165 OD2 ASP A 9 0.959 -2.631 -4.185 1.00 0.00 O +ATOM 166 H ASP A 9 -0.905 -4.313 -1.586 1.00 0.00 H +ATOM 167 HA ASP A 9 0.482 -6.505 -2.880 1.00 0.00 H +ATOM 168 HB2 ASP A 9 1.582 -3.813 -2.080 1.00 0.00 H +ATOM 169 HB3 ASP A 9 2.279 -4.946 -3.266 1.00 0.00 H +ATOM 170 N GLY A 10 1.135 -6.232 0.250 1.00 0.00 N +ATOM 171 CA GLY A 10 1.917 -6.656 1.417 1.00 0.00 C +ATOM 172 C GLY A 10 2.414 -5.500 2.294 1.00 0.00 C +ATOM 173 O GLY A 10 3.054 -5.736 3.320 1.00 0.00 O +ATOM 174 H GLY A 10 0.200 -5.879 0.438 1.00 0.00 H +ATOM 175 HA2 GLY A 10 1.298 -7.304 2.035 1.00 0.00 H +ATOM 176 HA3 GLY A 10 2.784 -7.233 1.096 1.00 0.00 H +ATOM 177 N GLY A 11 2.142 -4.244 1.916 1.00 0.00 N +ATOM 178 CA GLY A 11 2.643 -3.083 2.643 1.00 0.00 C +ATOM 179 C GLY A 11 4.182 -3.056 2.660 1.00 0.00 C +ATOM 180 O GLY A 11 4.791 -3.197 1.594 1.00 0.00 O +ATOM 181 H GLY A 11 1.623 -4.089 1.059 1.00 0.00 H +ATOM 182 HA2 GLY A 11 2.286 -2.178 2.156 1.00 0.00 H +ATOM 183 HA3 GLY A 11 2.244 -3.115 3.654 1.00 0.00 H +ATOM 184 N PRO A 12 4.842 -2.900 3.832 1.00 0.00 N +ATOM 185 CA PRO A 12 6.302 -2.829 3.917 1.00 0.00 C +ATOM 186 C PRO A 12 7.030 -4.020 3.276 1.00 0.00 C +ATOM 187 O PRO A 12 8.132 -3.843 2.757 1.00 0.00 O +ATOM 188 CB PRO A 12 6.642 -2.717 5.411 1.00 0.00 C +ATOM 189 CG PRO A 12 5.352 -2.223 6.059 1.00 0.00 C +ATOM 190 CD PRO A 12 4.260 -2.809 5.166 1.00 0.00 C +ATOM 191 HA PRO A 12 6.628 -1.916 3.416 1.00 0.00 H +ATOM 192 HB2 PRO A 12 6.925 -3.673 5.809 1.00 0.00 H +ATOM 193 HB3 PRO A 12 7.463 -2.016 5.581 1.00 0.00 H +ATOM 194 HG2 PRO A 12 5.263 -2.588 7.064 1.00 0.00 H +ATOM 195 HG3 PRO A 12 5.314 -1.133 6.017 1.00 0.00 H +ATOM 196 HD2 PRO A 12 3.974 -3.782 5.516 1.00 0.00 H +ATOM 197 HD3 PRO A 12 3.381 -2.165 5.191 1.00 0.00 H +ATOM 198 N SER A 13 6.424 -5.220 3.257 1.00 0.00 N +ATOM 199 CA SER A 13 7.055 -6.413 2.675 1.00 0.00 C +ATOM 200 C SER A 13 7.230 -6.327 1.155 1.00 0.00 C +ATOM 201 O SER A 13 8.109 -6.992 0.615 1.00 0.00 O +ATOM 202 CB SER A 13 6.276 -7.683 3.042 1.00 0.00 C +ATOM 203 OG SER A 13 5.083 -7.810 2.296 1.00 0.00 O +ATOM 204 H SER A 13 5.479 -5.307 3.613 1.00 0.00 H +ATOM 205 HA SER A 13 8.051 -6.506 3.109 1.00 0.00 H +ATOM 206 HB2 SER A 13 6.897 -8.537 2.850 1.00 0.00 H +ATOM 207 HB3 SER A 13 6.031 -7.660 4.105 1.00 0.00 H +ATOM 208 HG SER A 13 5.284 -8.181 1.431 1.00 0.00 H +ATOM 209 N SER A 14 6.424 -5.506 0.464 1.00 0.00 N +ATOM 210 CA SER A 14 6.562 -5.254 -0.977 1.00 0.00 C +ATOM 211 C SER A 14 7.683 -4.260 -1.316 1.00 0.00 C +ATOM 212 O SER A 14 7.958 -4.028 -2.492 1.00 0.00 O +ATOM 213 CB SER A 14 5.232 -4.754 -1.561 1.00 0.00 C +ATOM 214 OG SER A 14 4.689 -5.759 -2.390 1.00 0.00 O +ATOM 215 H SER A 14 5.730 -4.974 0.980 1.00 0.00 H +ATOM 216 HA SER A 14 6.816 -6.193 -1.471 1.00 0.00 H +ATOM 217 HB2 SER A 14 4.548 -4.536 -0.764 1.00 0.00 H +ATOM 218 HB3 SER A 14 5.400 -3.866 -2.170 1.00 0.00 H +ATOM 219 HG SER A 14 3.898 -6.171 -1.941 1.00 0.00 H +ATOM 220 N GLY A 15 8.320 -3.632 -0.318 1.00 0.00 N +ATOM 221 CA GLY A 15 9.452 -2.715 -0.493 1.00 0.00 C +ATOM 222 C GLY A 15 9.088 -1.324 -1.031 1.00 0.00 C +ATOM 223 O GLY A 15 9.745 -0.349 -0.674 1.00 0.00 O +ATOM 224 H GLY A 15 8.043 -3.844 0.636 1.00 0.00 H +ATOM 225 HA2 GLY A 15 9.948 -2.591 0.468 1.00 0.00 H +ATOM 226 HA3 GLY A 15 10.165 -3.167 -1.183 1.00 0.00 H +ATOM 227 N ARG A 16 8.043 -1.206 -1.866 1.00 0.00 N +ATOM 228 CA ARG A 16 7.509 0.078 -2.349 1.00 0.00 C +ATOM 229 C ARG A 16 6.942 0.905 -1.177 1.00 0.00 C +ATOM 230 O ARG A 16 6.183 0.348 -0.380 1.00 0.00 O +ATOM 231 CB ARG A 16 6.426 -0.188 -3.413 1.00 0.00 C +ATOM 232 CG ARG A 16 5.953 1.107 -4.102 1.00 0.00 C +ATOM 233 CD ARG A 16 4.797 0.884 -5.083 1.00 0.00 C +ATOM 234 NE ARG A 16 5.176 -0.019 -6.186 1.00 0.00 N +ATOM 235 CZ ARG A 16 4.649 -1.200 -6.493 1.00 0.00 C +ATOM 236 NH1 ARG A 16 3.626 -1.720 -5.848 1.00 0.00 N +ATOM 237 NH2 ARG A 16 5.165 -1.891 -7.482 1.00 0.00 N +ATOM 238 H ARG A 16 7.615 -2.078 -2.159 1.00 0.00 H +ATOM 239 HA ARG A 16 8.337 0.615 -2.807 1.00 0.00 H +ATOM 240 HB2 ARG A 16 6.828 -0.848 -4.157 1.00 0.00 H +ATOM 241 HB3 ARG A 16 5.573 -0.680 -2.944 1.00 0.00 H +ATOM 242 HG2 ARG A 16 5.630 1.797 -3.346 1.00 0.00 H +ATOM 243 HG3 ARG A 16 6.793 1.555 -4.637 1.00 0.00 H +ATOM 244 HD2 ARG A 16 3.970 0.454 -4.552 1.00 0.00 H +ATOM 245 HD3 ARG A 16 4.515 1.851 -5.503 1.00 0.00 H +ATOM 246 HE ARG A 16 5.943 0.289 -6.761 1.00 0.00 H +ATOM 247 HH11 ARG A 16 3.180 -1.223 -5.093 1.00 0.00 H +ATOM 248 HH12 ARG A 16 3.231 -2.612 -6.088 1.00 0.00 H +ATOM 249 HH21 ARG A 16 5.951 -1.541 -8.001 1.00 0.00 H +ATOM 250 HH22 ARG A 16 4.778 -2.789 -7.706 1.00 0.00 H +ATOM 251 N PRO A 17 7.224 2.222 -1.082 1.00 0.00 N +ATOM 252 CA PRO A 17 6.670 3.081 -0.030 1.00 0.00 C +ATOM 253 C PRO A 17 5.138 3.240 -0.131 1.00 0.00 C +ATOM 254 O PRO A 17 4.571 3.021 -1.206 1.00 0.00 O +ATOM 255 CB PRO A 17 7.384 4.430 -0.195 1.00 0.00 C +ATOM 256 CG PRO A 17 7.755 4.460 -1.675 1.00 0.00 C +ATOM 257 CD PRO A 17 8.084 2.998 -1.964 1.00 0.00 C +ATOM 258 HA PRO A 17 6.923 2.656 0.942 1.00 0.00 H +ATOM 259 HB2 PRO A 17 6.729 5.243 0.053 1.00 0.00 H +ATOM 260 HB3 PRO A 17 8.293 4.437 0.408 1.00 0.00 H +ATOM 261 HG2 PRO A 17 6.932 4.798 -2.274 1.00 0.00 H +ATOM 262 HG3 PRO A 17 8.607 5.114 -1.870 1.00 0.00 H +ATOM 263 HD2 PRO A 17 7.877 2.763 -2.990 1.00 0.00 H +ATOM 264 HD3 PRO A 17 9.127 2.798 -1.720 1.00 0.00 H +ATOM 265 N PRO A 18 4.461 3.639 0.965 1.00 0.00 N +ATOM 266 CA PRO A 18 3.015 3.863 0.981 1.00 0.00 C +ATOM 267 C PRO A 18 2.598 5.121 0.193 1.00 0.00 C +ATOM 268 O PRO A 18 3.428 5.993 -0.068 1.00 0.00 O +ATOM 269 CB PRO A 18 2.645 3.981 2.465 1.00 0.00 C +ATOM 270 CG PRO A 18 3.916 4.525 3.112 1.00 0.00 C +ATOM 271 CD PRO A 18 5.026 3.878 2.287 1.00 0.00 C +ATOM 272 HA PRO A 18 2.518 2.995 0.551 1.00 0.00 H +ATOM 273 HB2 PRO A 18 1.825 4.659 2.602 1.00 0.00 H +ATOM 274 HB3 PRO A 18 2.430 2.993 2.869 1.00 0.00 H +ATOM 275 HG2 PRO A 18 3.957 5.595 3.042 1.00 0.00 H +ATOM 276 HG3 PRO A 18 3.983 4.249 4.165 1.00 0.00 H +ATOM 277 HD2 PRO A 18 5.870 4.536 2.218 1.00 0.00 H +ATOM 278 HD3 PRO A 18 5.309 2.925 2.736 1.00 0.00 H +ATOM 279 N PRO A 19 1.304 5.247 -0.167 1.00 0.00 N +ATOM 280 CA PRO A 19 0.774 6.401 -0.902 1.00 0.00 C +ATOM 281 C PRO A 19 0.569 7.659 -0.043 1.00 0.00 C +ATOM 282 O PRO A 19 0.515 8.755 -0.597 1.00 0.00 O +ATOM 283 CB PRO A 19 -0.568 5.927 -1.467 1.00 0.00 C +ATOM 284 CG PRO A 19 -1.027 4.877 -0.459 1.00 0.00 C +ATOM 285 CD PRO A 19 0.279 4.224 -0.018 1.00 0.00 C +ATOM 286 HA PRO A 19 1.443 6.655 -1.727 1.00 0.00 H +ATOM 287 HB2 PRO A 19 -1.269 6.738 -1.523 1.00 0.00 H +ATOM 288 HB3 PRO A 19 -0.411 5.458 -2.438 1.00 0.00 H +ATOM 289 HG2 PRO A 19 -1.528 5.334 0.372 1.00 0.00 H +ATOM 290 HG3 PRO A 19 -1.691 4.148 -0.918 1.00 0.00 H +ATOM 291 HD2 PRO A 19 0.212 3.908 1.005 1.00 0.00 H +ATOM 292 HD3 PRO A 19 0.512 3.395 -0.684 1.00 0.00 H +ATOM 293 N SER A 20 0.445 7.509 1.283 1.00 0.00 N +ATOM 294 CA SER A 20 0.349 8.586 2.279 1.00 0.00 C +ATOM 295 C SER A 20 1.387 8.402 3.380 1.00 0.00 C +ATOM 296 O SER A 20 1.887 9.446 3.847 1.00 0.00 O +ATOM 297 CB SER A 20 -1.064 8.699 2.867 1.00 0.00 C +ATOM 298 OG SER A 20 -1.468 7.515 3.527 1.00 0.00 O +ATOM 299 OXT SER A 20 1.609 7.229 3.761 1.00 0.00 O +ATOM 300 H SER A 20 0.533 6.584 1.677 1.00 0.00 H +ATOM 301 HA SER A 20 0.581 9.535 1.797 1.00 0.00 H +ATOM 302 HB2 SER A 20 -1.081 9.509 3.570 1.00 0.00 H +ATOM 303 HB3 SER A 20 -1.771 8.923 2.068 1.00 0.00 H +ATOM 304 HG SER A 20 -0.877 7.386 4.279 1.00 0.00 H +TER 305 SER A 20 +ENDMDL +MODEL 4 +ATOM 1 N ASN A 1 -7.996 5.298 -0.779 1.00 0.00 N +ATOM 2 CA ASN A 1 -7.990 4.067 -1.611 1.00 0.00 C +ATOM 3 C ASN A 1 -6.595 3.515 -1.890 1.00 0.00 C +ATOM 4 O ASN A 1 -6.409 2.326 -1.667 1.00 0.00 O +ATOM 5 CB ASN A 1 -8.817 4.236 -2.891 1.00 0.00 C +ATOM 6 CG ASN A 1 -10.260 4.485 -2.482 1.00 0.00 C +ATOM 7 OD1 ASN A 1 -10.595 5.590 -2.090 1.00 0.00 O +ATOM 8 ND2 ASN A 1 -11.097 3.465 -2.420 1.00 0.00 N +ATOM 9 H1 ASN A 1 -7.499 5.145 0.089 1.00 0.00 H +ATOM 10 H2 ASN A 1 -7.580 6.071 -1.279 1.00 0.00 H +ATOM 11 H3 ASN A 1 -8.957 5.549 -0.571 1.00 0.00 H +ATOM 12 HA ASN A 1 -8.483 3.285 -1.032 1.00 0.00 H +ATOM 13 HB2 ASN A 1 -8.449 5.070 -3.456 1.00 0.00 H +ATOM 14 HB3 ASN A 1 -8.756 3.334 -3.502 1.00 0.00 H +ATOM 15 HD21 ASN A 1 -10.855 2.524 -2.688 1.00 0.00 H +ATOM 16 HD22 ASN A 1 -12.028 3.700 -2.110 1.00 0.00 H +ATOM 17 N LEU A 2 -5.616 4.322 -2.330 1.00 0.00 N +ATOM 18 CA LEU A 2 -4.255 3.853 -2.649 1.00 0.00 C +ATOM 19 C LEU A 2 -3.609 2.984 -1.550 1.00 0.00 C +ATOM 20 O LEU A 2 -2.969 1.976 -1.846 1.00 0.00 O +ATOM 21 CB LEU A 2 -3.364 5.074 -2.976 1.00 0.00 C +ATOM 22 CG LEU A 2 -3.035 5.287 -4.464 1.00 0.00 C +ATOM 23 CD1 LEU A 2 -2.298 4.086 -5.067 1.00 0.00 C +ATOM 24 CD2 LEU A 2 -4.283 5.609 -5.288 1.00 0.00 C +ATOM 25 H LEU A 2 -5.808 5.284 -2.567 1.00 0.00 H +ATOM 26 HA LEU A 2 -4.324 3.212 -3.525 1.00 0.00 H +ATOM 27 HB2 LEU A 2 -3.868 5.953 -2.622 1.00 0.00 H +ATOM 28 HB3 LEU A 2 -2.413 4.965 -2.461 1.00 0.00 H +ATOM 29 HG LEU A 2 -2.366 6.146 -4.524 1.00 0.00 H +ATOM 30 HD11 LEU A 2 -1.513 3.750 -4.388 1.00 0.00 H +ATOM 31 HD12 LEU A 2 -2.985 3.262 -5.255 1.00 0.00 H +ATOM 32 HD13 LEU A 2 -1.840 4.380 -6.010 1.00 0.00 H +ATOM 33 HD21 LEU A 2 -4.988 4.779 -5.260 1.00 0.00 H +ATOM 34 HD22 LEU A 2 -4.758 6.509 -4.897 1.00 0.00 H +ATOM 35 HD23 LEU A 2 -3.993 5.793 -6.323 1.00 0.00 H +ATOM 36 N TYR A 3 -3.829 3.342 -0.280 1.00 0.00 N +ATOM 37 CA TYR A 3 -3.352 2.587 0.881 1.00 0.00 C +ATOM 38 C TYR A 3 -3.885 1.142 0.933 1.00 0.00 C +ATOM 39 O TYR A 3 -3.182 0.255 1.410 1.00 0.00 O +ATOM 40 CB TYR A 3 -3.714 3.350 2.166 1.00 0.00 C +ATOM 41 CG TYR A 3 -2.571 3.426 3.153 1.00 0.00 C +ATOM 42 CD1 TYR A 3 -2.238 2.307 3.939 1.00 0.00 C +ATOM 43 CD2 TYR A 3 -1.826 4.614 3.277 1.00 0.00 C +ATOM 44 CE1 TYR A 3 -1.172 2.377 4.854 1.00 0.00 C +ATOM 45 CE2 TYR A 3 -0.758 4.692 4.190 1.00 0.00 C +ATOM 46 CZ TYR A 3 -0.434 3.573 4.988 1.00 0.00 C +ATOM 47 OH TYR A 3 0.564 3.651 5.909 1.00 0.00 O +ATOM 48 H TYR A 3 -4.312 4.211 -0.115 1.00 0.00 H +ATOM 49 HA TYR A 3 -2.266 2.531 0.815 1.00 0.00 H +ATOM 50 HB2 TYR A 3 -4.003 4.349 1.900 1.00 0.00 H +ATOM 51 HB3 TYR A 3 -4.571 2.877 2.649 1.00 0.00 H +ATOM 52 HD1 TYR A 3 -2.810 1.398 3.838 1.00 0.00 H +ATOM 53 HD2 TYR A 3 -2.070 5.479 2.676 1.00 0.00 H +ATOM 54 HE1 TYR A 3 -0.916 1.531 5.472 1.00 0.00 H +ATOM 55 HE2 TYR A 3 -0.198 5.613 4.266 1.00 0.00 H +ATOM 56 HH TYR A 3 0.792 4.562 6.104 1.00 0.00 H +ATOM 57 N ILE A 4 -5.099 0.891 0.414 1.00 0.00 N +ATOM 58 CA ILE A 4 -5.705 -0.444 0.348 1.00 0.00 C +ATOM 59 C ILE A 4 -4.882 -1.332 -0.589 1.00 0.00 C +ATOM 60 O ILE A 4 -4.466 -2.411 -0.181 1.00 0.00 O +ATOM 61 CB ILE A 4 -7.191 -0.380 -0.086 1.00 0.00 C +ATOM 62 CG1 ILE A 4 -8.038 0.622 0.737 1.00 0.00 C +ATOM 63 CG2 ILE A 4 -7.836 -1.778 -0.048 1.00 0.00 C +ATOM 64 CD1 ILE A 4 -8.051 0.390 2.254 1.00 0.00 C +ATOM 65 H ILE A 4 -5.574 1.642 -0.074 1.00 0.00 H +ATOM 66 HA ILE A 4 -5.657 -0.892 1.341 1.00 0.00 H +ATOM 67 HB ILE A 4 -7.230 -0.049 -1.125 1.00 0.00 H +ATOM 68 HG12 ILE A 4 -7.652 1.607 0.557 1.00 0.00 H +ATOM 69 HG13 ILE A 4 -9.066 0.590 0.375 1.00 0.00 H +ATOM 70 HG21 ILE A 4 -7.351 -2.438 -0.767 1.00 0.00 H +ATOM 71 HG22 ILE A 4 -7.744 -2.214 0.948 1.00 0.00 H +ATOM 72 HG23 ILE A 4 -8.891 -1.708 -0.312 1.00 0.00 H +ATOM 73 HD11 ILE A 4 -8.463 -0.592 2.485 1.00 0.00 H +ATOM 74 HD12 ILE A 4 -7.043 0.470 2.659 1.00 0.00 H +ATOM 75 HD13 ILE A 4 -8.674 1.150 2.725 1.00 0.00 H +ATOM 76 N GLN A 5 -4.600 -0.857 -1.811 1.00 0.00 N +ATOM 77 CA GLN A 5 -3.712 -1.519 -2.775 1.00 0.00 C +ATOM 78 C GLN A 5 -2.314 -1.759 -2.183 1.00 0.00 C +ATOM 79 O GLN A 5 -1.803 -2.878 -2.255 1.00 0.00 O +ATOM 80 CB GLN A 5 -3.634 -0.674 -4.062 1.00 0.00 C +ATOM 81 CG GLN A 5 -4.792 -0.953 -5.031 1.00 0.00 C +ATOM 82 CD GLN A 5 -4.542 -2.214 -5.853 1.00 0.00 C +ATOM 83 OE1 GLN A 5 -4.848 -3.320 -5.436 1.00 0.00 O +ATOM 84 NE2 GLN A 5 -3.968 -2.093 -7.036 1.00 0.00 N +ATOM 85 H GLN A 5 -4.948 0.063 -2.038 1.00 0.00 H +ATOM 86 HA GLN A 5 -4.122 -2.500 -3.019 1.00 0.00 H +ATOM 87 HB2 GLN A 5 -3.656 0.364 -3.792 1.00 0.00 H +ATOM 88 HB3 GLN A 5 -2.694 -0.880 -4.579 1.00 0.00 H +ATOM 89 HG2 GLN A 5 -5.696 -1.078 -4.467 1.00 0.00 H +ATOM 90 HG3 GLN A 5 -4.898 -0.106 -5.710 1.00 0.00 H +ATOM 91 HE21 GLN A 5 -3.693 -1.205 -7.419 1.00 0.00 H +ATOM 92 HE22 GLN A 5 -3.810 -2.965 -7.512 1.00 0.00 H +ATOM 93 N TRP A 6 -1.713 -0.734 -1.561 1.00 0.00 N +ATOM 94 CA TRP A 6 -0.400 -0.841 -0.917 1.00 0.00 C +ATOM 95 C TRP A 6 -0.353 -1.931 0.171 1.00 0.00 C +ATOM 96 O TRP A 6 0.567 -2.757 0.175 1.00 0.00 O +ATOM 97 CB TRP A 6 0.005 0.531 -0.361 1.00 0.00 C +ATOM 98 CG TRP A 6 1.372 0.565 0.247 1.00 0.00 C +ATOM 99 CD1 TRP A 6 2.532 0.625 -0.442 1.00 0.00 C +ATOM 100 CD2 TRP A 6 1.747 0.483 1.657 1.00 0.00 C +ATOM 101 NE1 TRP A 6 3.594 0.565 0.438 1.00 0.00 N +ATOM 102 CE2 TRP A 6 3.169 0.480 1.743 1.00 0.00 C +ATOM 103 CE3 TRP A 6 1.032 0.393 2.872 1.00 0.00 C +ATOM 104 CZ2 TRP A 6 3.853 0.395 2.965 1.00 0.00 C +ATOM 105 CZ3 TRP A 6 1.707 0.293 4.104 1.00 0.00 C +ATOM 106 CH2 TRP A 6 3.112 0.296 4.154 1.00 0.00 C +ATOM 107 H TRP A 6 -2.186 0.167 -1.566 1.00 0.00 H +ATOM 108 HA TRP A 6 0.329 -1.126 -1.676 1.00 0.00 H +ATOM 109 HB2 TRP A 6 -0.024 1.242 -1.164 1.00 0.00 H +ATOM 110 HB3 TRP A 6 -0.716 0.838 0.395 1.00 0.00 H +ATOM 111 HD1 TRP A 6 2.616 0.684 -1.518 1.00 0.00 H +ATOM 112 HE1 TRP A 6 4.579 0.565 0.164 1.00 0.00 H +ATOM 113 HE3 TRP A 6 -0.046 0.398 2.841 1.00 0.00 H +ATOM 114 HZ2 TRP A 6 4.933 0.389 2.975 1.00 0.00 H +ATOM 115 HZ3 TRP A 6 1.142 0.218 5.022 1.00 0.00 H +ATOM 116 HH2 TRP A 6 3.621 0.223 5.106 1.00 0.00 H +ATOM 117 N LEU A 7 -1.360 -1.961 1.060 1.00 0.00 N +ATOM 118 CA LEU A 7 -1.529 -3.019 2.059 1.00 0.00 C +ATOM 119 C LEU A 7 -1.819 -4.386 1.425 1.00 0.00 C +ATOM 120 O LEU A 7 -1.263 -5.376 1.896 1.00 0.00 O +ATOM 121 CB LEU A 7 -2.645 -2.652 3.058 1.00 0.00 C +ATOM 122 CG LEU A 7 -2.265 -1.546 4.060 1.00 0.00 C +ATOM 123 CD1 LEU A 7 -3.504 -1.129 4.860 1.00 0.00 C +ATOM 124 CD2 LEU A 7 -1.186 -1.989 5.054 1.00 0.00 C +ATOM 125 H LEU A 7 -2.062 -1.224 1.020 1.00 0.00 H +ATOM 126 HA LEU A 7 -0.594 -3.131 2.603 1.00 0.00 H +ATOM 127 HB2 LEU A 7 -3.499 -2.320 2.500 1.00 0.00 H +ATOM 128 HB3 LEU A 7 -2.915 -3.543 3.627 1.00 0.00 H +ATOM 129 HG LEU A 7 -1.898 -0.680 3.518 1.00 0.00 H +ATOM 130 HD11 LEU A 7 -4.273 -0.762 4.181 1.00 0.00 H +ATOM 131 HD12 LEU A 7 -3.892 -1.977 5.422 1.00 0.00 H +ATOM 132 HD13 LEU A 7 -3.243 -0.331 5.557 1.00 0.00 H +ATOM 133 HD21 LEU A 7 -1.516 -2.875 5.597 1.00 0.00 H +ATOM 134 HD22 LEU A 7 -0.258 -2.212 4.531 1.00 0.00 H +ATOM 135 HD23 LEU A 7 -0.990 -1.188 5.767 1.00 0.00 H +ATOM 136 N LYS A 8 -2.636 -4.457 0.360 1.00 0.00 N +ATOM 137 CA LYS A 8 -3.000 -5.710 -0.323 1.00 0.00 C +ATOM 138 C LYS A 8 -1.774 -6.506 -0.772 1.00 0.00 C +ATOM 139 O LYS A 8 -1.764 -7.728 -0.650 1.00 0.00 O +ATOM 140 CB LYS A 8 -3.907 -5.437 -1.541 1.00 0.00 C +ATOM 141 CG LYS A 8 -4.842 -6.624 -1.830 1.00 0.00 C +ATOM 142 CD LYS A 8 -6.265 -6.337 -1.328 1.00 0.00 C +ATOM 143 CE LYS A 8 -7.114 -7.612 -1.287 1.00 0.00 C +ATOM 144 NZ LYS A 8 -6.875 -8.381 -0.042 1.00 0.00 N +ATOM 145 H LYS A 8 -3.089 -3.595 0.056 1.00 0.00 H +ATOM 146 HA LYS A 8 -3.534 -6.330 0.396 1.00 0.00 H +ATOM 147 HB2 LYS A 8 -4.501 -4.566 -1.344 1.00 0.00 H +ATOM 148 HB3 LYS A 8 -3.287 -5.248 -2.418 1.00 0.00 H +ATOM 149 HG2 LYS A 8 -4.871 -6.798 -2.888 1.00 0.00 H +ATOM 150 HG3 LYS A 8 -4.454 -7.529 -1.364 1.00 0.00 H +ATOM 151 HD2 LYS A 8 -6.209 -5.923 -0.340 1.00 0.00 H +ATOM 152 HD3 LYS A 8 -6.730 -5.625 -2.013 1.00 0.00 H +ATOM 153 HE2 LYS A 8 -8.151 -7.343 -1.337 1.00 0.00 H +ATOM 154 HE3 LYS A 8 -6.877 -8.220 -2.164 1.00 0.00 H +ATOM 155 HZ1 LYS A 8 -5.889 -8.591 0.053 1.00 0.00 H +ATOM 156 HZ2 LYS A 8 -7.168 -7.840 0.762 1.00 0.00 H +ATOM 157 HZ3 LYS A 8 -7.394 -9.248 -0.055 1.00 0.00 H +ATOM 158 N ASP A 9 -0.756 -5.802 -1.272 1.00 0.00 N +ATOM 159 CA ASP A 9 0.519 -6.369 -1.719 1.00 0.00 C +ATOM 160 C ASP A 9 1.466 -6.750 -0.552 1.00 0.00 C +ATOM 161 O ASP A 9 2.432 -7.481 -0.764 1.00 0.00 O +ATOM 162 CB ASP A 9 1.147 -5.356 -2.691 1.00 0.00 C +ATOM 163 CG ASP A 9 2.157 -5.999 -3.643 1.00 0.00 C +ATOM 164 OD1 ASP A 9 1.687 -6.708 -4.559 1.00 0.00 O +ATOM 165 OD2 ASP A 9 3.367 -5.733 -3.478 1.00 0.00 O +ATOM 166 H ASP A 9 -0.906 -4.806 -1.394 1.00 0.00 H +ATOM 167 HA ASP A 9 0.309 -7.281 -2.280 1.00 0.00 H +ATOM 168 HB2 ASP A 9 0.365 -4.908 -3.272 1.00 0.00 H +ATOM 169 HB3 ASP A 9 1.602 -4.539 -2.136 1.00 0.00 H +ATOM 170 N GLY A 10 1.166 -6.322 0.686 1.00 0.00 N +ATOM 171 CA GLY A 10 1.940 -6.628 1.899 1.00 0.00 C +ATOM 172 C GLY A 10 2.455 -5.411 2.687 1.00 0.00 C +ATOM 173 O GLY A 10 3.258 -5.576 3.605 1.00 0.00 O +ATOM 174 H GLY A 10 0.283 -5.838 0.808 1.00 0.00 H +ATOM 175 HA2 GLY A 10 1.308 -7.208 2.569 1.00 0.00 H +ATOM 176 HA3 GLY A 10 2.799 -7.243 1.641 1.00 0.00 H +ATOM 177 N GLY A 11 2.025 -4.190 2.349 1.00 0.00 N +ATOM 178 CA GLY A 11 2.501 -2.933 2.929 1.00 0.00 C +ATOM 179 C GLY A 11 4.035 -2.809 2.947 1.00 0.00 C +ATOM 180 O GLY A 11 4.636 -2.640 1.883 1.00 0.00 O +ATOM 181 H GLY A 11 1.426 -4.116 1.535 1.00 0.00 H +ATOM 182 HA2 GLY A 11 2.113 -2.118 2.323 1.00 0.00 H +ATOM 183 HA3 GLY A 11 2.088 -2.828 3.930 1.00 0.00 H +ATOM 184 N PRO A 12 4.714 -2.887 4.112 1.00 0.00 N +ATOM 185 CA PRO A 12 6.177 -2.830 4.177 1.00 0.00 C +ATOM 186 C PRO A 12 6.894 -3.885 3.322 1.00 0.00 C +ATOM 187 O PRO A 12 8.009 -3.632 2.870 1.00 0.00 O +ATOM 188 CB PRO A 12 6.543 -2.996 5.656 1.00 0.00 C +ATOM 189 CG PRO A 12 5.275 -2.581 6.397 1.00 0.00 C +ATOM 190 CD PRO A 12 4.158 -3.015 5.451 1.00 0.00 C +ATOM 191 HA PRO A 12 6.493 -1.842 3.843 1.00 0.00 H +ATOM 192 HB2 PRO A 12 6.796 -4.015 5.874 1.00 0.00 H +ATOM 193 HB3 PRO A 12 7.390 -2.365 5.930 1.00 0.00 H +ATOM 194 HG2 PRO A 12 5.198 -3.086 7.340 1.00 0.00 H +ATOM 195 HG3 PRO A 12 5.255 -1.495 6.510 1.00 0.00 H +ATOM 196 HD2 PRO A 12 3.876 -4.032 5.645 1.00 0.00 H +ATOM 197 HD3 PRO A 12 3.286 -2.377 5.597 1.00 0.00 H +ATOM 198 N SER A 13 6.272 -5.048 3.067 1.00 0.00 N +ATOM 199 CA SER A 13 6.859 -6.106 2.234 1.00 0.00 C +ATOM 200 C SER A 13 6.522 -5.983 0.737 1.00 0.00 C +ATOM 201 O SER A 13 6.868 -6.883 -0.022 1.00 0.00 O +ATOM 202 CB SER A 13 6.517 -7.490 2.809 1.00 0.00 C +ATOM 203 OG SER A 13 5.152 -7.809 2.665 1.00 0.00 O +ATOM 204 H SER A 13 5.336 -5.211 3.432 1.00 0.00 H +ATOM 205 HA SER A 13 7.945 -6.021 2.301 1.00 0.00 H +ATOM 206 HB2 SER A 13 7.100 -8.230 2.296 1.00 0.00 H +ATOM 207 HB3 SER A 13 6.776 -7.504 3.869 1.00 0.00 H +ATOM 208 HG SER A 13 4.960 -7.945 1.731 1.00 0.00 H +ATOM 209 N SER A 14 5.879 -4.888 0.300 1.00 0.00 N +ATOM 210 CA SER A 14 5.483 -4.641 -1.100 1.00 0.00 C +ATOM 211 C SER A 14 6.594 -4.035 -1.979 1.00 0.00 C +ATOM 212 O SER A 14 6.388 -3.818 -3.171 1.00 0.00 O +ATOM 213 CB SER A 14 4.291 -3.674 -1.143 1.00 0.00 C +ATOM 214 OG SER A 14 3.244 -4.095 -0.294 1.00 0.00 O +ATOM 215 H SER A 14 5.551 -4.209 0.982 1.00 0.00 H +ATOM 216 HA SER A 14 5.168 -5.582 -1.554 1.00 0.00 H +ATOM 217 HB2 SER A 14 4.621 -2.702 -0.832 1.00 0.00 H +ATOM 218 HB3 SER A 14 3.920 -3.612 -2.167 1.00 0.00 H +ATOM 219 HG SER A 14 2.497 -3.486 -0.373 1.00 0.00 H +ATOM 220 N GLY A 15 7.760 -3.685 -1.413 1.00 0.00 N +ATOM 221 CA GLY A 15 8.865 -3.074 -2.168 1.00 0.00 C +ATOM 222 C GLY A 15 8.636 -1.615 -2.597 1.00 0.00 C +ATOM 223 O GLY A 15 9.329 -1.131 -3.490 1.00 0.00 O +ATOM 224 H GLY A 15 7.882 -3.900 -0.435 1.00 0.00 H +ATOM 225 HA2 GLY A 15 9.772 -3.108 -1.566 1.00 0.00 H +ATOM 226 HA3 GLY A 15 9.044 -3.662 -3.070 1.00 0.00 H +ATOM 227 N ARG A 16 7.674 -0.910 -1.982 1.00 0.00 N +ATOM 228 CA ARG A 16 7.291 0.476 -2.303 1.00 0.00 C +ATOM 229 C ARG A 16 6.926 1.243 -1.019 1.00 0.00 C +ATOM 230 O ARG A 16 6.299 0.641 -0.143 1.00 0.00 O +ATOM 231 CB ARG A 16 6.095 0.409 -3.275 1.00 0.00 C +ATOM 232 CG ARG A 16 5.718 1.773 -3.872 1.00 0.00 C +ATOM 233 CD ARG A 16 4.496 1.668 -4.787 1.00 0.00 C +ATOM 234 NE ARG A 16 4.170 2.979 -5.381 1.00 0.00 N +ATOM 235 CZ ARG A 16 4.620 3.482 -6.525 1.00 0.00 C +ATOM 236 NH1 ARG A 16 5.433 2.811 -7.310 1.00 0.00 N +ATOM 237 NH2 ARG A 16 4.260 4.687 -6.902 1.00 0.00 N +ATOM 238 H ARG A 16 7.165 -1.374 -1.242 1.00 0.00 H +ATOM 239 HA ARG A 16 8.134 0.962 -2.796 1.00 0.00 H +ATOM 240 HB2 ARG A 16 6.346 -0.256 -4.078 1.00 0.00 H +ATOM 241 HB3 ARG A 16 5.232 -0.006 -2.753 1.00 0.00 H +ATOM 242 HG2 ARG A 16 5.497 2.454 -3.073 1.00 0.00 H +ATOM 243 HG3 ARG A 16 6.563 2.153 -4.447 1.00 0.00 H +ATOM 244 HD2 ARG A 16 4.704 0.968 -5.573 1.00 0.00 H +ATOM 245 HD3 ARG A 16 3.644 1.325 -4.197 1.00 0.00 H +ATOM 246 HE ARG A 16 3.562 3.570 -4.839 1.00 0.00 H +ATOM 247 HH11 ARG A 16 5.714 1.890 -7.023 1.00 0.00 H +ATOM 248 HH12 ARG A 16 5.768 3.197 -8.173 1.00 0.00 H +ATOM 249 HH21 ARG A 16 3.648 5.240 -6.327 1.00 0.00 H +ATOM 250 HH22 ARG A 16 4.602 5.065 -7.766 1.00 0.00 H +ATOM 251 N PRO A 17 7.244 2.550 -0.887 1.00 0.00 N +ATOM 252 CA PRO A 17 6.834 3.351 0.272 1.00 0.00 C +ATOM 253 C PRO A 17 5.302 3.529 0.364 1.00 0.00 C +ATOM 254 O PRO A 17 4.613 3.423 -0.657 1.00 0.00 O +ATOM 255 CB PRO A 17 7.546 4.701 0.109 1.00 0.00 C +ATOM 256 CG PRO A 17 7.773 4.807 -1.398 1.00 0.00 C +ATOM 257 CD PRO A 17 8.043 3.359 -1.797 1.00 0.00 C +ATOM 258 HA PRO A 17 7.191 2.864 1.180 1.00 0.00 H +ATOM 259 HB2 PRO A 17 6.929 5.505 0.461 1.00 0.00 H +ATOM 260 HB3 PRO A 17 8.509 4.667 0.619 1.00 0.00 H +ATOM 261 HG2 PRO A 17 6.902 5.190 -1.895 1.00 0.00 H +ATOM 262 HG3 PRO A 17 8.614 5.459 -1.638 1.00 0.00 H +ATOM 263 HD2 PRO A 17 7.743 3.188 -2.813 1.00 0.00 H +ATOM 264 HD3 PRO A 17 9.099 3.130 -1.650 1.00 0.00 H +ATOM 265 N PRO A 18 4.761 3.830 1.562 1.00 0.00 N +ATOM 266 CA PRO A 18 3.330 4.041 1.763 1.00 0.00 C +ATOM 267 C PRO A 18 2.857 5.363 1.124 1.00 0.00 C +ATOM 268 O PRO A 18 3.561 6.372 1.215 1.00 0.00 O +ATOM 269 CB PRO A 18 3.122 4.052 3.280 1.00 0.00 C +ATOM 270 CG PRO A 18 4.467 4.528 3.826 1.00 0.00 C +ATOM 271 CD PRO A 18 5.475 3.963 2.826 1.00 0.00 C +ATOM 272 HA PRO A 18 2.789 3.199 1.338 1.00 0.00 H +ATOM 273 HB2 PRO A 18 2.336 4.730 3.554 1.00 0.00 H +ATOM 274 HB3 PRO A 18 2.928 3.039 3.629 1.00 0.00 H +ATOM 275 HG2 PRO A 18 4.513 5.600 3.853 1.00 0.00 H +ATOM 276 HG3 PRO A 18 4.649 4.156 4.834 1.00 0.00 H +ATOM 277 HD2 PRO A 18 6.306 4.633 2.716 1.00 0.00 H +ATOM 278 HD3 PRO A 18 5.808 2.979 3.157 1.00 0.00 H +ATOM 279 N PRO A 19 1.664 5.391 0.501 1.00 0.00 N +ATOM 280 CA PRO A 19 1.089 6.605 -0.071 1.00 0.00 C +ATOM 281 C PRO A 19 0.480 7.494 1.027 1.00 0.00 C +ATOM 282 O PRO A 19 -0.248 6.998 1.889 1.00 0.00 O +ATOM 283 CB PRO A 19 0.030 6.099 -1.056 1.00 0.00 C +ATOM 284 CG PRO A 19 -0.452 4.787 -0.431 1.00 0.00 C +ATOM 285 CD PRO A 19 0.776 4.254 0.301 1.00 0.00 C +ATOM 286 HA PRO A 19 1.850 7.167 -0.612 1.00 0.00 H +ATOM 287 HB2 PRO A 19 -0.777 6.800 -1.143 1.00 0.00 H +ATOM 288 HB3 PRO A 19 0.507 5.887 -2.015 1.00 0.00 H +ATOM 289 HG2 PRO A 19 -1.258 4.965 0.255 1.00 0.00 H +ATOM 290 HG3 PRO A 19 -0.783 4.076 -1.188 1.00 0.00 H +ATOM 291 HD2 PRO A 19 0.491 3.835 1.247 1.00 0.00 H +ATOM 292 HD3 PRO A 19 1.276 3.508 -0.318 1.00 0.00 H +ATOM 293 N SER A 20 0.773 8.801 0.994 1.00 0.00 N +ATOM 294 CA SER A 20 0.156 9.787 1.896 1.00 0.00 C +ATOM 295 C SER A 20 -1.215 10.283 1.430 1.00 0.00 C +ATOM 296 O SER A 20 -1.579 10.082 0.257 1.00 0.00 O +ATOM 297 CB SER A 20 1.058 11.002 2.110 1.00 0.00 C +ATOM 298 OG SER A 20 0.393 11.759 3.099 1.00 0.00 O +ATOM 299 OXT SER A 20 -1.809 10.968 2.306 1.00 0.00 O +ATOM 300 H SER A 20 1.346 9.144 0.240 1.00 0.00 H +ATOM 301 HA SER A 20 -0.001 9.315 2.867 1.00 0.00 H +ATOM 302 HB2 SER A 20 2.029 10.699 2.452 1.00 0.00 H +ATOM 303 HB3 SER A 20 1.131 11.580 1.186 1.00 0.00 H +ATOM 304 HG SER A 20 -0.584 11.562 2.923 1.00 0.00 H +TER 305 SER A 20 +ENDMDL +MODEL 5 +ATOM 1 N ASN A 1 -8.175 6.595 -1.658 1.00 0.00 N +ATOM 2 CA ASN A 1 -7.203 6.342 -0.567 1.00 0.00 C +ATOM 3 C ASN A 1 -5.868 5.761 -1.012 1.00 0.00 C +ATOM 4 O ASN A 1 -4.867 6.207 -0.471 1.00 0.00 O +ATOM 5 CB ASN A 1 -7.789 5.475 0.551 1.00 0.00 C +ATOM 6 CG ASN A 1 -8.492 6.367 1.553 1.00 0.00 C +ATOM 7 OD1 ASN A 1 -9.561 6.874 1.264 1.00 0.00 O +ATOM 8 ND2 ASN A 1 -7.884 6.637 2.695 1.00 0.00 N +ATOM 9 H1 ASN A 1 -7.762 7.177 -2.374 1.00 0.00 H +ATOM 10 H2 ASN A 1 -8.486 5.725 -2.069 1.00 0.00 H +ATOM 11 H3 ASN A 1 -8.985 7.069 -1.275 1.00 0.00 H +ATOM 12 HA ASN A 1 -6.948 7.307 -0.124 1.00 0.00 H +ATOM 13 HB2 ASN A 1 -8.491 4.779 0.135 1.00 0.00 H +ATOM 14 HB3 ASN A 1 -6.995 4.925 1.061 1.00 0.00 H +ATOM 15 HD21 ASN A 1 -6.974 6.276 2.941 1.00 0.00 H +ATOM 16 HD22 ASN A 1 -8.390 7.244 3.321 1.00 0.00 H +ATOM 17 N LEU A 2 -5.828 4.741 -1.887 1.00 0.00 N +ATOM 18 CA LEU A 2 -4.612 4.045 -2.368 1.00 0.00 C +ATOM 19 C LEU A 2 -3.979 3.125 -1.303 1.00 0.00 C +ATOM 20 O LEU A 2 -3.517 2.035 -1.641 1.00 0.00 O +ATOM 21 CB LEU A 2 -3.580 5.040 -2.959 1.00 0.00 C +ATOM 22 CG LEU A 2 -4.147 5.962 -4.067 1.00 0.00 C +ATOM 23 CD1 LEU A 2 -3.532 7.367 -4.057 1.00 0.00 C +ATOM 24 CD2 LEU A 2 -3.954 5.329 -5.447 1.00 0.00 C +ATOM 25 H LEU A 2 -6.690 4.354 -2.239 1.00 0.00 H +ATOM 26 HA LEU A 2 -4.915 3.389 -3.185 1.00 0.00 H +ATOM 27 HB2 LEU A 2 -3.214 5.658 -2.162 1.00 0.00 H +ATOM 28 HB3 LEU A 2 -2.734 4.477 -3.358 1.00 0.00 H +ATOM 29 HG LEU A 2 -5.216 6.098 -3.915 1.00 0.00 H +ATOM 30 HD11 LEU A 2 -3.212 7.650 -3.053 1.00 0.00 H +ATOM 31 HD12 LEU A 2 -2.676 7.423 -4.729 1.00 0.00 H +ATOM 32 HD13 LEU A 2 -4.283 8.087 -4.385 1.00 0.00 H +ATOM 33 HD21 LEU A 2 -2.891 5.203 -5.654 1.00 0.00 H +ATOM 34 HD22 LEU A 2 -4.442 4.355 -5.483 1.00 0.00 H +ATOM 35 HD23 LEU A 2 -4.390 5.972 -6.210 1.00 0.00 H +ATOM 36 N TYR A 3 -4.034 3.507 -0.022 1.00 0.00 N +ATOM 37 CA TYR A 3 -3.488 2.754 1.113 1.00 0.00 C +ATOM 38 C TYR A 3 -3.999 1.304 1.197 1.00 0.00 C +ATOM 39 O TYR A 3 -3.219 0.398 1.481 1.00 0.00 O +ATOM 40 CB TYR A 3 -3.764 3.518 2.421 1.00 0.00 C +ATOM 41 CG TYR A 3 -2.555 3.588 3.333 1.00 0.00 C +ATOM 42 CD1 TYR A 3 -2.195 2.479 4.123 1.00 0.00 C +ATOM 43 CD2 TYR A 3 -1.776 4.762 3.370 1.00 0.00 C +ATOM 44 CE1 TYR A 3 -1.050 2.538 4.942 1.00 0.00 C +ATOM 45 CE2 TYR A 3 -0.643 4.831 4.199 1.00 0.00 C +ATOM 46 CZ TYR A 3 -0.268 3.716 4.975 1.00 0.00 C +ATOM 47 OH TYR A 3 0.867 3.769 5.724 1.00 0.00 O +ATOM 48 H TYR A 3 -4.320 4.468 0.138 1.00 0.00 H +ATOM 49 HA TYR A 3 -2.408 2.707 0.979 1.00 0.00 H +ATOM 50 HB2 TYR A 3 -4.066 4.518 2.176 1.00 0.00 H +ATOM 51 HB3 TYR A 3 -4.590 3.050 2.959 1.00 0.00 H +ATOM 52 HD1 TYR A 3 -2.793 1.578 4.096 1.00 0.00 H +ATOM 53 HD2 TYR A 3 -2.027 5.621 2.759 1.00 0.00 H +ATOM 54 HE1 TYR A 3 -0.776 1.690 5.552 1.00 0.00 H +ATOM 55 HE2 TYR A 3 -0.044 5.734 4.228 1.00 0.00 H +ATOM 56 HH TYR A 3 1.327 2.931 5.742 1.00 0.00 H +ATOM 57 N ILE A 4 -5.288 1.067 0.907 1.00 0.00 N +ATOM 58 CA ILE A 4 -5.894 -0.275 0.884 1.00 0.00 C +ATOM 59 C ILE A 4 -5.214 -1.162 -0.172 1.00 0.00 C +ATOM 60 O ILE A 4 -4.782 -2.273 0.130 1.00 0.00 O +ATOM 61 CB ILE A 4 -7.430 -0.201 0.663 1.00 0.00 C +ATOM 62 CG1 ILE A 4 -8.116 0.772 1.655 1.00 0.00 C +ATOM 63 CG2 ILE A 4 -8.062 -1.596 0.813 1.00 0.00 C +ATOM 64 CD1 ILE A 4 -8.454 2.122 1.015 1.00 0.00 C +ATOM 65 H ILE A 4 -5.869 1.867 0.710 1.00 0.00 H +ATOM 66 HA ILE A 4 -5.718 -0.740 1.855 1.00 0.00 H +ATOM 67 HB ILE A 4 -7.627 0.135 -0.357 1.00 0.00 H +ATOM 68 HG12 ILE A 4 -9.024 0.321 2.007 1.00 0.00 H +ATOM 69 HG13 ILE A 4 -7.470 0.935 2.519 1.00 0.00 H +ATOM 70 HG21 ILE A 4 -7.644 -2.289 0.083 1.00 0.00 H +ATOM 71 HG22 ILE A 4 -7.885 -1.983 1.817 1.00 0.00 H +ATOM 72 HG23 ILE A 4 -9.137 -1.535 0.640 1.00 0.00 H +ATOM 73 HD11 ILE A 4 -7.676 2.427 0.316 1.00 0.00 H +ATOM 74 HD12 ILE A 4 -9.403 2.047 0.483 1.00 0.00 H +ATOM 75 HD13 ILE A 4 -8.550 2.876 1.798 1.00 0.00 H +ATOM 76 N GLN A 5 -5.080 -0.655 -1.404 1.00 0.00 N +ATOM 77 CA GLN A 5 -4.405 -1.359 -2.496 1.00 0.00 C +ATOM 78 C GLN A 5 -2.908 -1.559 -2.203 1.00 0.00 C +ATOM 79 O GLN A 5 -2.368 -2.623 -2.496 1.00 0.00 O +ATOM 80 CB GLN A 5 -4.637 -0.594 -3.811 1.00 0.00 C +ATOM 81 CG GLN A 5 -4.176 -1.352 -5.070 1.00 0.00 C +ATOM 82 CD GLN A 5 -5.080 -2.517 -5.485 1.00 0.00 C +ATOM 83 OE1 GLN A 5 -5.806 -3.119 -4.707 1.00 0.00 O +ATOM 84 NE2 GLN A 5 -5.067 -2.886 -6.751 1.00 0.00 N +ATOM 85 H GLN A 5 -5.392 0.289 -1.566 1.00 0.00 H +ATOM 86 HA GLN A 5 -4.856 -2.348 -2.581 1.00 0.00 H +ATOM 87 HB2 GLN A 5 -5.687 -0.394 -3.904 1.00 0.00 H +ATOM 88 HB3 GLN A 5 -4.096 0.353 -3.763 1.00 0.00 H +ATOM 89 HG2 GLN A 5 -4.136 -0.654 -5.884 1.00 0.00 H +ATOM 90 HG3 GLN A 5 -3.160 -1.723 -4.932 1.00 0.00 H +ATOM 91 HE21 GLN A 5 -4.471 -2.439 -7.427 1.00 0.00 H +ATOM 92 HE22 GLN A 5 -5.746 -3.581 -7.000 1.00 0.00 H +ATOM 93 N TRP A 6 -2.243 -0.575 -1.581 1.00 0.00 N +ATOM 94 CA TRP A 6 -0.858 -0.716 -1.118 1.00 0.00 C +ATOM 95 C TRP A 6 -0.699 -1.828 -0.069 1.00 0.00 C +ATOM 96 O TRP A 6 0.195 -2.668 -0.194 1.00 0.00 O +ATOM 97 CB TRP A 6 -0.351 0.624 -0.585 1.00 0.00 C +ATOM 98 CG TRP A 6 1.048 0.578 -0.054 1.00 0.00 C +ATOM 99 CD1 TRP A 6 2.171 0.607 -0.807 1.00 0.00 C +ATOM 100 CD2 TRP A 6 1.497 0.476 1.333 1.00 0.00 C +ATOM 101 NE1 TRP A 6 3.277 0.517 0.018 1.00 0.00 N +ATOM 102 CE2 TRP A 6 2.921 0.430 1.339 1.00 0.00 C +ATOM 103 CE3 TRP A 6 0.854 0.427 2.590 1.00 0.00 C +ATOM 104 CZ2 TRP A 6 3.676 0.352 2.517 1.00 0.00 C +ATOM 105 CZ3 TRP A 6 1.600 0.338 3.783 1.00 0.00 C +ATOM 106 CH2 TRP A 6 3.006 0.310 3.748 1.00 0.00 C +ATOM 107 H TRP A 6 -2.729 0.304 -1.422 1.00 0.00 H +ATOM 108 HA TRP A 6 -0.238 -0.999 -1.969 1.00 0.00 H +ATOM 109 HB2 TRP A 6 -0.385 1.340 -1.384 1.00 0.00 H +ATOM 110 HB3 TRP A 6 -1.007 0.967 0.214 1.00 0.00 H +ATOM 111 HD1 TRP A 6 2.193 0.693 -1.885 1.00 0.00 H +ATOM 112 HE1 TRP A 6 4.245 0.568 -0.288 1.00 0.00 H +ATOM 113 HE3 TRP A 6 -0.224 0.468 2.624 1.00 0.00 H +ATOM 114 HZ2 TRP A 6 4.754 0.329 2.457 1.00 0.00 H +ATOM 115 HZ3 TRP A 6 1.091 0.294 4.733 1.00 0.00 H +ATOM 116 HH2 TRP A 6 3.573 0.259 4.666 1.00 0.00 H +ATOM 117 N LEU A 7 -1.582 -1.882 0.939 1.00 0.00 N +ATOM 118 CA LEU A 7 -1.603 -2.983 1.905 1.00 0.00 C +ATOM 119 C LEU A 7 -1.840 -4.339 1.225 1.00 0.00 C +ATOM 120 O LEU A 7 -1.195 -5.312 1.611 1.00 0.00 O +ATOM 121 CB LEU A 7 -2.648 -2.725 3.008 1.00 0.00 C +ATOM 122 CG LEU A 7 -2.246 -1.632 4.018 1.00 0.00 C +ATOM 123 CD1 LEU A 7 -3.417 -1.351 4.965 1.00 0.00 C +ATOM 124 CD2 LEU A 7 -1.033 -2.033 4.868 1.00 0.00 C +ATOM 125 H LEU A 7 -2.278 -1.141 1.019 1.00 0.00 H +ATOM 126 HA LEU A 7 -0.618 -3.051 2.362 1.00 0.00 H +ATOM 127 HB2 LEU A 7 -3.566 -2.428 2.539 1.00 0.00 H +ATOM 128 HB3 LEU A 7 -2.811 -3.653 3.557 1.00 0.00 H +ATOM 129 HG LEU A 7 -2.009 -0.713 3.490 1.00 0.00 H +ATOM 130 HD11 LEU A 7 -4.299 -1.072 4.387 1.00 0.00 H +ATOM 131 HD12 LEU A 7 -3.642 -2.240 5.555 1.00 0.00 H +ATOM 132 HD13 LEU A 7 -3.161 -0.532 5.635 1.00 0.00 H +ATOM 133 HD21 LEU A 7 -1.219 -2.989 5.358 1.00 0.00 H +ATOM 134 HD22 LEU A 7 -0.146 -2.116 4.244 1.00 0.00 H +ATOM 135 HD23 LEU A 7 -0.847 -1.273 5.626 1.00 0.00 H +ATOM 136 N LYS A 8 -2.685 -4.402 0.182 1.00 0.00 N +ATOM 137 CA LYS A 8 -2.936 -5.625 -0.601 1.00 0.00 C +ATOM 138 C LYS A 8 -1.667 -6.232 -1.217 1.00 0.00 C +ATOM 139 O LYS A 8 -1.582 -7.450 -1.336 1.00 0.00 O +ATOM 140 CB LYS A 8 -3.985 -5.346 -1.693 1.00 0.00 C +ATOM 141 CG LYS A 8 -4.692 -6.641 -2.114 1.00 0.00 C +ATOM 142 CD LYS A 8 -5.718 -6.428 -3.232 1.00 0.00 C +ATOM 143 CE LYS A 8 -5.032 -6.294 -4.599 1.00 0.00 C +ATOM 144 NZ LYS A 8 -5.771 -7.040 -5.645 1.00 0.00 N +ATOM 145 H LYS A 8 -3.211 -3.559 -0.040 1.00 0.00 H +ATOM 146 HA LYS A 8 -3.336 -6.373 0.084 1.00 0.00 H +ATOM 147 HB2 LYS A 8 -4.713 -4.655 -1.313 1.00 0.00 H +ATOM 148 HB3 LYS A 8 -3.500 -4.897 -2.560 1.00 0.00 H +ATOM 149 HG2 LYS A 8 -3.952 -7.338 -2.457 1.00 0.00 H +ATOM 150 HG3 LYS A 8 -5.210 -7.046 -1.244 1.00 0.00 H +ATOM 151 HD2 LYS A 8 -6.387 -7.266 -3.257 1.00 0.00 H +ATOM 152 HD3 LYS A 8 -6.315 -5.536 -3.029 1.00 0.00 H +ATOM 153 HE2 LYS A 8 -4.993 -5.257 -4.871 1.00 0.00 H +ATOM 154 HE3 LYS A 8 -4.012 -6.679 -4.526 1.00 0.00 H +ATOM 155 HZ1 LYS A 8 -5.793 -8.024 -5.407 1.00 0.00 H +ATOM 156 HZ2 LYS A 8 -6.721 -6.700 -5.709 1.00 0.00 H +ATOM 157 HZ3 LYS A 8 -5.316 -6.938 -6.542 1.00 0.00 H +ATOM 158 N ASP A 9 -0.684 -5.400 -1.577 1.00 0.00 N +ATOM 159 CA ASP A 9 0.625 -5.836 -2.086 1.00 0.00 C +ATOM 160 C ASP A 9 1.499 -6.498 -0.998 1.00 0.00 C +ATOM 161 O ASP A 9 2.414 -7.249 -1.327 1.00 0.00 O +ATOM 162 CB ASP A 9 1.344 -4.617 -2.703 1.00 0.00 C +ATOM 163 CG ASP A 9 2.032 -4.934 -4.036 1.00 0.00 C +ATOM 164 OD1 ASP A 9 1.293 -5.094 -5.034 1.00 0.00 O +ATOM 165 OD2 ASP A 9 3.282 -4.935 -4.072 1.00 0.00 O +ATOM 166 H ASP A 9 -0.848 -4.407 -1.477 1.00 0.00 H +ATOM 167 HA ASP A 9 0.459 -6.576 -2.871 1.00 0.00 H +ATOM 168 HB2 ASP A 9 0.621 -3.842 -2.868 1.00 0.00 H +ATOM 169 HB3 ASP A 9 2.073 -4.222 -1.993 1.00 0.00 H +ATOM 170 N GLY A 10 1.197 -6.249 0.290 1.00 0.00 N +ATOM 171 CA GLY A 10 1.964 -6.697 1.458 1.00 0.00 C +ATOM 172 C GLY A 10 2.454 -5.562 2.375 1.00 0.00 C +ATOM 173 O GLY A 10 3.219 -5.821 3.307 1.00 0.00 O +ATOM 174 H GLY A 10 0.340 -5.733 0.471 1.00 0.00 H +ATOM 175 HA2 GLY A 10 1.338 -7.359 2.052 1.00 0.00 H +ATOM 176 HA3 GLY A 10 2.839 -7.260 1.131 1.00 0.00 H +ATOM 177 N GLY A 11 2.062 -4.303 2.120 1.00 0.00 N +ATOM 178 CA GLY A 11 2.530 -3.141 2.879 1.00 0.00 C +ATOM 179 C GLY A 11 4.060 -2.973 2.802 1.00 0.00 C +ATOM 180 O GLY A 11 4.611 -3.075 1.699 1.00 0.00 O +ATOM 181 H GLY A 11 1.492 -4.143 1.300 1.00 0.00 H +ATOM 182 HA2 GLY A 11 2.070 -2.244 2.466 1.00 0.00 H +ATOM 183 HA3 GLY A 11 2.200 -3.255 3.909 1.00 0.00 H +ATOM 184 N PRO A 12 4.771 -2.727 3.926 1.00 0.00 N +ATOM 185 CA PRO A 12 6.226 -2.519 3.940 1.00 0.00 C +ATOM 186 C PRO A 12 7.037 -3.646 3.278 1.00 0.00 C +ATOM 187 O PRO A 12 8.097 -3.395 2.709 1.00 0.00 O +ATOM 188 CB PRO A 12 6.621 -2.378 5.418 1.00 0.00 C +ATOM 189 CG PRO A 12 5.327 -1.974 6.119 1.00 0.00 C +ATOM 190 CD PRO A 12 4.247 -2.658 5.284 1.00 0.00 C +ATOM 191 HA PRO A 12 6.447 -1.585 3.423 1.00 0.00 H +ATOM 192 HB2 PRO A 12 6.987 -3.310 5.804 1.00 0.00 H +ATOM 193 HB3 PRO A 12 7.399 -1.626 5.554 1.00 0.00 H +ATOM 194 HG2 PRO A 12 5.312 -2.328 7.132 1.00 0.00 H +ATOM 195 HG3 PRO A 12 5.205 -0.892 6.065 1.00 0.00 H +ATOM 196 HD2 PRO A 12 4.054 -3.644 5.660 1.00 0.00 H +ATOM 197 HD3 PRO A 12 3.323 -2.082 5.337 1.00 0.00 H +ATOM 198 N SER A 13 6.521 -4.880 3.304 1.00 0.00 N +ATOM 199 CA SER A 13 7.176 -6.096 2.804 1.00 0.00 C +ATOM 200 C SER A 13 7.053 -6.286 1.281 1.00 0.00 C +ATOM 201 O SER A 13 7.203 -7.401 0.787 1.00 0.00 O +ATOM 202 CB SER A 13 6.621 -7.302 3.574 1.00 0.00 C +ATOM 203 OG SER A 13 6.881 -7.134 4.956 1.00 0.00 O +ATOM 204 H SER A 13 5.621 -5.007 3.748 1.00 0.00 H +ATOM 205 HA SER A 13 8.242 -6.031 3.029 1.00 0.00 H +ATOM 206 HB2 SER A 13 5.562 -7.373 3.414 1.00 0.00 H +ATOM 207 HB3 SER A 13 7.106 -8.216 3.229 1.00 0.00 H +ATOM 208 HG SER A 13 6.464 -7.849 5.442 1.00 0.00 H +ATOM 209 N SER A 14 6.792 -5.202 0.538 1.00 0.00 N +ATOM 210 CA SER A 14 6.428 -5.207 -0.894 1.00 0.00 C +ATOM 211 C SER A 14 7.386 -4.379 -1.769 1.00 0.00 C +ATOM 212 O SER A 14 7.101 -4.123 -2.941 1.00 0.00 O +ATOM 213 CB SER A 14 4.978 -4.731 -1.093 1.00 0.00 C +ATOM 214 OG SER A 14 4.172 -4.953 0.037 1.00 0.00 O +ATOM 215 H SER A 14 6.675 -4.342 1.057 1.00 0.00 H +ATOM 216 HA SER A 14 6.470 -6.235 -1.257 1.00 0.00 H +ATOM 217 HB2 SER A 14 4.988 -3.679 -1.305 1.00 0.00 H +ATOM 218 HB3 SER A 14 4.551 -5.239 -1.956 1.00 0.00 H +ATOM 219 HG SER A 14 4.342 -4.220 0.679 1.00 0.00 H +ATOM 220 N GLY A 15 8.502 -3.913 -1.182 1.00 0.00 N +ATOM 221 CA GLY A 15 9.546 -3.129 -1.849 1.00 0.00 C +ATOM 222 C GLY A 15 9.114 -1.724 -2.287 1.00 0.00 C +ATOM 223 O GLY A 15 9.680 -1.186 -3.235 1.00 0.00 O +ATOM 224 H GLY A 15 8.649 -4.194 -0.222 1.00 0.00 H +ATOM 225 HA2 GLY A 15 10.391 -3.019 -1.170 1.00 0.00 H +ATOM 226 HA3 GLY A 15 9.893 -3.670 -2.730 1.00 0.00 H +ATOM 227 N ARG A 16 8.100 -1.139 -1.630 1.00 0.00 N +ATOM 228 CA ARG A 16 7.450 0.119 -2.030 1.00 0.00 C +ATOM 229 C ARG A 16 6.928 0.911 -0.816 1.00 0.00 C +ATOM 230 O ARG A 16 6.269 0.321 0.044 1.00 0.00 O +ATOM 231 CB ARG A 16 6.317 -0.179 -3.034 1.00 0.00 C +ATOM 232 CG ARG A 16 5.288 -1.191 -2.504 1.00 0.00 C +ATOM 233 CD ARG A 16 4.285 -1.659 -3.553 1.00 0.00 C +ATOM 234 NE ARG A 16 4.933 -2.527 -4.549 1.00 0.00 N +ATOM 235 CZ ARG A 16 4.527 -2.735 -5.794 1.00 0.00 C +ATOM 236 NH1 ARG A 16 3.493 -2.100 -6.302 1.00 0.00 N +ATOM 237 NH2 ARG A 16 5.167 -3.578 -6.566 1.00 0.00 N +ATOM 238 H ARG A 16 7.708 -1.640 -0.844 1.00 0.00 H +ATOM 239 HA ARG A 16 8.196 0.717 -2.550 1.00 0.00 H +ATOM 240 HB2 ARG A 16 5.809 0.739 -3.257 1.00 0.00 H +ATOM 241 HB3 ARG A 16 6.768 -0.575 -3.945 1.00 0.00 H +ATOM 242 HG2 ARG A 16 5.817 -2.049 -2.135 1.00 0.00 H +ATOM 243 HG3 ARG A 16 4.734 -0.757 -1.678 1.00 0.00 H +ATOM 244 HD2 ARG A 16 3.499 -2.206 -3.068 1.00 0.00 H +ATOM 245 HD3 ARG A 16 3.837 -0.783 -4.024 1.00 0.00 H +ATOM 246 HE ARG A 16 5.648 -3.155 -4.195 1.00 0.00 H +ATOM 247 HH11 ARG A 16 2.947 -1.544 -5.671 1.00 0.00 H +ATOM 248 HH12 ARG A 16 3.153 -2.320 -7.218 1.00 0.00 H +ATOM 249 HH21 ARG A 16 5.883 -4.149 -6.152 1.00 0.00 H +ATOM 250 HH22 ARG A 16 4.831 -3.768 -7.490 1.00 0.00 H +ATOM 251 N PRO A 17 7.167 2.235 -0.738 1.00 0.00 N +ATOM 252 CA PRO A 17 6.698 3.071 0.368 1.00 0.00 C +ATOM 253 C PRO A 17 5.171 3.287 0.323 1.00 0.00 C +ATOM 254 O PRO A 17 4.562 3.090 -0.732 1.00 0.00 O +ATOM 255 CB PRO A 17 7.457 4.393 0.202 1.00 0.00 C +ATOM 256 CG PRO A 17 7.658 4.498 -1.308 1.00 0.00 C +ATOM 257 CD PRO A 17 7.864 3.045 -1.729 1.00 0.00 C +ATOM 258 HA PRO A 17 6.972 2.607 1.317 1.00 0.00 H +ATOM 259 HB2 PRO A 17 6.878 5.217 0.571 1.00 0.00 H +ATOM 260 HB3 PRO A 17 8.428 4.317 0.695 1.00 0.00 H +ATOM 261 HG2 PRO A 17 6.793 4.919 -1.784 1.00 0.00 H +ATOM 262 HG3 PRO A 17 8.520 5.115 -1.561 1.00 0.00 H +ATOM 263 HD2 PRO A 17 7.450 2.878 -2.705 1.00 0.00 H +ATOM 264 HD3 PRO A 17 8.927 2.802 -1.714 1.00 0.00 H +ATOM 265 N PRO A 18 4.543 3.703 1.441 1.00 0.00 N +ATOM 266 CA PRO A 18 3.105 3.956 1.499 1.00 0.00 C +ATOM 267 C PRO A 18 2.686 5.190 0.673 1.00 0.00 C +ATOM 268 O PRO A 18 3.440 6.163 0.597 1.00 0.00 O +ATOM 269 CB PRO A 18 2.777 4.132 2.983 1.00 0.00 C +ATOM 270 CG PRO A 18 4.091 4.608 3.598 1.00 0.00 C +ATOM 271 CD PRO A 18 5.149 3.902 2.752 1.00 0.00 C +ATOM 272 HA PRO A 18 2.585 3.075 1.131 1.00 0.00 H +ATOM 273 HB2 PRO A 18 2.005 4.865 3.119 1.00 0.00 H +ATOM 274 HB3 PRO A 18 2.506 3.167 3.411 1.00 0.00 H +ATOM 275 HG2 PRO A 18 4.187 5.674 3.523 1.00 0.00 H +ATOM 276 HG3 PRO A 18 4.169 4.334 4.651 1.00 0.00 H +ATOM 277 HD2 PRO A 18 6.028 4.511 2.668 1.00 0.00 H +ATOM 278 HD3 PRO A 18 5.384 2.932 3.191 1.00 0.00 H +ATOM 279 N PRO A 19 1.485 5.179 0.063 1.00 0.00 N +ATOM 280 CA PRO A 19 0.959 6.296 -0.711 1.00 0.00 C +ATOM 281 C PRO A 19 0.308 7.346 0.205 1.00 0.00 C +ATOM 282 O PRO A 19 -0.866 7.217 0.563 1.00 0.00 O +ATOM 283 CB PRO A 19 -0.038 5.662 -1.685 1.00 0.00 C +ATOM 284 CG PRO A 19 -0.611 4.494 -0.880 1.00 0.00 C +ATOM 285 CD PRO A 19 0.571 4.046 -0.020 1.00 0.00 C +ATOM 286 HA PRO A 19 1.758 6.771 -1.284 1.00 0.00 H +ATOM 287 HB2 PRO A 19 -0.808 6.358 -1.956 1.00 0.00 H +ATOM 288 HB3 PRO A 19 0.500 5.276 -2.551 1.00 0.00 H +ATOM 289 HG2 PRO A 19 -1.432 4.815 -0.268 1.00 0.00 H +ATOM 290 HG3 PRO A 19 -0.960 3.695 -1.533 1.00 0.00 H +ATOM 291 HD2 PRO A 19 0.232 3.772 0.961 1.00 0.00 H +ATOM 292 HD3 PRO A 19 1.080 3.221 -0.514 1.00 0.00 H +ATOM 293 N SER A 20 1.081 8.389 0.531 1.00 0.00 N +ATOM 294 CA SER A 20 0.712 9.526 1.401 1.00 0.00 C +ATOM 295 C SER A 20 0.588 9.160 2.890 1.00 0.00 C +ATOM 296 O SER A 20 0.262 10.095 3.652 1.00 0.00 O +ATOM 297 CB SER A 20 -0.566 10.221 0.907 1.00 0.00 C +ATOM 298 OG SER A 20 -0.448 10.583 -0.457 1.00 0.00 O +ATOM 299 OXT SER A 20 0.841 7.989 3.253 1.00 0.00 O +ATOM 300 H SER A 20 2.044 8.336 0.235 1.00 0.00 H +ATOM 301 HA SER A 20 1.510 10.263 1.347 1.00 0.00 H +ATOM 302 HB2 SER A 20 -1.397 9.552 1.023 1.00 0.00 H +ATOM 303 HB3 SER A 20 -0.739 11.118 1.507 1.00 0.00 H +ATOM 304 HG SER A 20 -1.325 10.595 -0.845 1.00 0.00 H +TER 305 SER A 20 +ENDMDL +MODEL 6 +ATOM 1 N ASN A 1 -8.386 5.528 0.323 1.00 0.00 N +ATOM 2 CA ASN A 1 -7.252 6.475 0.201 1.00 0.00 C +ATOM 3 C ASN A 1 -5.976 5.793 -0.320 1.00 0.00 C +ATOM 4 O ASN A 1 -4.928 5.981 0.279 1.00 0.00 O +ATOM 5 CB ASN A 1 -6.989 7.168 1.563 1.00 0.00 C +ATOM 6 CG ASN A 1 -8.182 7.971 2.069 1.00 0.00 C +ATOM 7 OD1 ASN A 1 -9.321 7.671 1.737 1.00 0.00 O +ATOM 8 ND2 ASN A 1 -7.956 8.989 2.877 1.00 0.00 N +ATOM 9 H1 ASN A 1 -8.680 5.191 -0.583 1.00 0.00 H +ATOM 10 H2 ASN A 1 -8.133 4.750 0.917 1.00 0.00 H +ATOM 11 H3 ASN A 1 -9.162 6.024 0.757 1.00 0.00 H +ATOM 12 HA ASN A 1 -7.519 7.256 -0.513 1.00 0.00 H +ATOM 13 HB2 ASN A 1 -6.753 6.414 2.289 1.00 0.00 H +ATOM 14 HB3 ASN A 1 -6.141 7.847 1.464 1.00 0.00 H +ATOM 15 HD21 ASN A 1 -7.025 9.245 3.168 1.00 0.00 H +ATOM 16 HD22 ASN A 1 -8.768 9.497 3.186 1.00 0.00 H +ATOM 17 N LEU A 2 -6.033 4.992 -1.399 1.00 0.00 N +ATOM 18 CA LEU A 2 -4.893 4.279 -2.026 1.00 0.00 C +ATOM 19 C LEU A 2 -4.189 3.209 -1.150 1.00 0.00 C +ATOM 20 O LEU A 2 -3.787 2.161 -1.653 1.00 0.00 O +ATOM 21 CB LEU A 2 -3.898 5.323 -2.592 1.00 0.00 C +ATOM 22 CG LEU A 2 -3.403 5.048 -4.026 1.00 0.00 C +ATOM 23 CD1 LEU A 2 -4.520 5.284 -5.049 1.00 0.00 C +ATOM 24 CD2 LEU A 2 -2.245 5.991 -4.373 1.00 0.00 C +ATOM 25 H LEU A 2 -6.896 4.918 -1.915 1.00 0.00 H +ATOM 26 HA LEU A 2 -5.303 3.724 -2.868 1.00 0.00 H +ATOM 27 HB2 LEU A 2 -4.382 6.281 -2.586 1.00 0.00 H +ATOM 28 HB3 LEU A 2 -3.041 5.381 -1.923 1.00 0.00 H +ATOM 29 HG LEU A 2 -3.055 4.018 -4.106 1.00 0.00 H +ATOM 30 HD11 LEU A 2 -5.356 4.614 -4.868 1.00 0.00 H +ATOM 31 HD12 LEU A 2 -4.864 6.318 -4.993 1.00 0.00 H +ATOM 32 HD13 LEU A 2 -4.141 5.093 -6.053 1.00 0.00 H +ATOM 33 HD21 LEU A 2 -2.447 7.000 -4.006 1.00 0.00 H +ATOM 34 HD22 LEU A 2 -1.330 5.621 -3.919 1.00 0.00 H +ATOM 35 HD23 LEU A 2 -2.089 6.031 -5.450 1.00 0.00 H +ATOM 36 N TYR A 3 -4.112 3.429 0.165 1.00 0.00 N +ATOM 37 CA TYR A 3 -3.496 2.595 1.193 1.00 0.00 C +ATOM 38 C TYR A 3 -4.014 1.148 1.203 1.00 0.00 C +ATOM 39 O TYR A 3 -3.249 0.231 1.485 1.00 0.00 O +ATOM 40 CB TYR A 3 -3.710 3.279 2.555 1.00 0.00 C +ATOM 41 CG TYR A 3 -2.553 3.084 3.510 1.00 0.00 C +ATOM 42 CD1 TYR A 3 -2.456 1.903 4.268 1.00 0.00 C +ATOM 43 CD2 TYR A 3 -1.561 4.078 3.620 1.00 0.00 C +ATOM 44 CE1 TYR A 3 -1.355 1.701 5.120 1.00 0.00 C +ATOM 45 CE2 TYR A 3 -0.454 3.878 4.467 1.00 0.00 C +ATOM 46 CZ TYR A 3 -0.345 2.682 5.210 1.00 0.00 C +ATOM 47 OH TYR A 3 0.737 2.459 6.003 1.00 0.00 O +ATOM 48 H TYR A 3 -4.356 4.372 0.451 1.00 0.00 H +ATOM 49 HA TYR A 3 -2.424 2.563 0.995 1.00 0.00 H +ATOM 50 HB2 TYR A 3 -3.843 4.331 2.391 1.00 0.00 H +ATOM 51 HB3 TYR A 3 -4.629 2.908 3.015 1.00 0.00 H +ATOM 52 HD1 TYR A 3 -3.225 1.149 4.184 1.00 0.00 H +ATOM 53 HD2 TYR A 3 -1.654 5.000 3.056 1.00 0.00 H +ATOM 54 HE1 TYR A 3 -1.263 0.796 5.701 1.00 0.00 H +ATOM 55 HE2 TYR A 3 0.299 4.646 4.556 1.00 0.00 H +ATOM 56 HH TYR A 3 1.435 3.096 5.844 1.00 0.00 H +ATOM 57 N ILE A 4 -5.288 0.927 0.844 1.00 0.00 N +ATOM 58 CA ILE A 4 -5.882 -0.413 0.700 1.00 0.00 C +ATOM 59 C ILE A 4 -5.155 -1.216 -0.392 1.00 0.00 C +ATOM 60 O ILE A 4 -4.783 -2.368 -0.166 1.00 0.00 O +ATOM 61 CB ILE A 4 -7.403 -0.333 0.415 1.00 0.00 C +ATOM 62 CG1 ILE A 4 -8.165 0.597 1.397 1.00 0.00 C +ATOM 63 CG2 ILE A 4 -8.025 -1.739 0.474 1.00 0.00 C +ATOM 64 CD1 ILE A 4 -8.569 1.925 0.742 1.00 0.00 C +ATOM 65 H ILE A 4 -5.849 1.736 0.639 1.00 0.00 H +ATOM 66 HA ILE A 4 -5.742 -0.945 1.643 1.00 0.00 H +ATOM 67 HB ILE A 4 -7.545 0.041 -0.602 1.00 0.00 H +ATOM 68 HG12 ILE A 4 -9.051 0.094 1.733 1.00 0.00 H +ATOM 69 HG13 ILE A 4 -7.558 0.797 2.280 1.00 0.00 H +ATOM 70 HG21 ILE A 4 -7.561 -2.398 -0.261 1.00 0.00 H +ATOM 71 HG22 ILE A 4 -7.892 -2.168 1.469 1.00 0.00 H +ATOM 72 HG23 ILE A 4 -9.091 -1.683 0.250 1.00 0.00 H +ATOM 73 HD11 ILE A 4 -7.690 2.447 0.367 1.00 0.00 H +ATOM 74 HD12 ILE A 4 -9.256 1.730 -0.083 1.00 0.00 H +ATOM 75 HD13 ILE A 4 -9.076 2.550 1.478 1.00 0.00 H +ATOM 76 N GLN A 5 -4.919 -0.602 -1.563 1.00 0.00 N +ATOM 77 CA GLN A 5 -4.148 -1.213 -2.650 1.00 0.00 C +ATOM 78 C GLN A 5 -2.698 -1.477 -2.220 1.00 0.00 C +ATOM 79 O GLN A 5 -2.176 -2.563 -2.456 1.00 0.00 O +ATOM 80 CB GLN A 5 -4.189 -0.338 -3.923 1.00 0.00 C +ATOM 81 CG GLN A 5 -5.048 -0.952 -5.043 1.00 0.00 C +ATOM 82 CD GLN A 5 -4.557 -0.530 -6.426 1.00 0.00 C +ATOM 83 OE1 GLN A 5 -3.843 -1.254 -7.098 1.00 0.00 O +ATOM 84 NE2 GLN A 5 -4.900 0.648 -6.907 1.00 0.00 N +ATOM 85 H GLN A 5 -5.147 0.379 -1.642 1.00 0.00 H +ATOM 86 HA GLN A 5 -4.590 -2.184 -2.870 1.00 0.00 H +ATOM 87 HB2 GLN A 5 -4.595 0.621 -3.666 1.00 0.00 H +ATOM 88 HB3 GLN A 5 -3.171 -0.226 -4.301 1.00 0.00 H +ATOM 89 HG2 GLN A 5 -5.003 -2.022 -4.969 1.00 0.00 H +ATOM 90 HG3 GLN A 5 -6.090 -0.657 -4.912 1.00 0.00 H +ATOM 91 HE21 GLN A 5 -5.491 1.299 -6.420 1.00 0.00 H +ATOM 92 HE22 GLN A 5 -4.516 0.824 -7.820 1.00 0.00 H +ATOM 93 N TRP A 6 -2.058 -0.514 -1.548 1.00 0.00 N +ATOM 94 CA TRP A 6 -0.698 -0.699 -1.033 1.00 0.00 C +ATOM 95 C TRP A 6 -0.598 -1.819 0.024 1.00 0.00 C +ATOM 96 O TRP A 6 0.351 -2.603 0.007 1.00 0.00 O +ATOM 97 CB TRP A 6 -0.182 0.633 -0.487 1.00 0.00 C +ATOM 98 CG TRP A 6 1.208 0.559 0.054 1.00 0.00 C +ATOM 99 CD1 TRP A 6 2.340 0.584 -0.684 1.00 0.00 C +ATOM 100 CD2 TRP A 6 1.636 0.399 1.441 1.00 0.00 C +ATOM 101 NE1 TRP A 6 3.434 0.426 0.145 1.00 0.00 N +ATOM 102 CE2 TRP A 6 3.060 0.338 1.464 1.00 0.00 C +ATOM 103 CE3 TRP A 6 0.968 0.306 2.680 1.00 0.00 C +ATOM 104 CZ2 TRP A 6 3.793 0.231 2.652 1.00 0.00 C +ATOM 105 CZ3 TRP A 6 1.692 0.176 3.881 1.00 0.00 C +ATOM 106 CH2 TRP A 6 3.098 0.160 3.871 1.00 0.00 C +ATOM 107 H TRP A 6 -2.537 0.370 -1.411 1.00 0.00 H +ATOM 108 HA TRP A 6 -0.056 -0.999 -1.865 1.00 0.00 H +ATOM 109 HB2 TRP A 6 -0.199 1.355 -1.281 1.00 0.00 H +ATOM 110 HB3 TRP A 6 -0.845 0.977 0.306 1.00 0.00 H +ATOM 111 HD1 TRP A 6 2.372 0.691 -1.760 1.00 0.00 H +ATOM 112 HE1 TRP A 6 4.406 0.397 -0.171 1.00 0.00 H +ATOM 113 HE3 TRP A 6 -0.111 0.343 2.699 1.00 0.00 H +ATOM 114 HZ2 TRP A 6 4.871 0.201 2.617 1.00 0.00 H +ATOM 115 HZ3 TRP A 6 1.165 0.101 4.820 1.00 0.00 H +ATOM 116 HH2 TRP A 6 3.644 0.086 4.800 1.00 0.00 H +ATOM 117 N LEU A 7 -1.583 -1.947 0.921 1.00 0.00 N +ATOM 118 CA LEU A 7 -1.656 -3.076 1.851 1.00 0.00 C +ATOM 119 C LEU A 7 -1.870 -4.413 1.124 1.00 0.00 C +ATOM 120 O LEU A 7 -1.239 -5.396 1.507 1.00 0.00 O +ATOM 121 CB LEU A 7 -2.744 -2.838 2.914 1.00 0.00 C +ATOM 122 CG LEU A 7 -2.336 -1.840 4.014 1.00 0.00 C +ATOM 123 CD1 LEU A 7 -3.558 -1.525 4.882 1.00 0.00 C +ATOM 124 CD2 LEU A 7 -1.236 -2.386 4.934 1.00 0.00 C +ATOM 125 H LEU A 7 -2.308 -1.232 0.953 1.00 0.00 H +ATOM 126 HA LEU A 7 -0.691 -3.164 2.348 1.00 0.00 H +ATOM 127 HB2 LEU A 7 -3.619 -2.459 2.422 1.00 0.00 H +ATOM 128 HB3 LEU A 7 -2.984 -3.790 3.391 1.00 0.00 H +ATOM 129 HG LEU A 7 -1.981 -0.918 3.559 1.00 0.00 H +ATOM 130 HD11 LEU A 7 -4.336 -1.072 4.269 1.00 0.00 H +ATOM 131 HD12 LEU A 7 -3.942 -2.440 5.333 1.00 0.00 H +ATOM 132 HD13 LEU A 7 -3.281 -0.829 5.675 1.00 0.00 H +ATOM 133 HD21 LEU A 7 -1.580 -3.296 5.429 1.00 0.00 H +ATOM 134 HD22 LEU A 7 -0.333 -2.606 4.369 1.00 0.00 H +ATOM 135 HD23 LEU A 7 -0.987 -1.645 5.691 1.00 0.00 H +ATOM 136 N LYS A 8 -2.686 -4.452 0.056 1.00 0.00 N +ATOM 137 CA LYS A 8 -2.868 -5.634 -0.809 1.00 0.00 C +ATOM 138 C LYS A 8 -1.553 -6.182 -1.385 1.00 0.00 C +ATOM 139 O LYS A 8 -1.446 -7.398 -1.524 1.00 0.00 O +ATOM 140 CB LYS A 8 -3.855 -5.315 -1.947 1.00 0.00 C +ATOM 141 CG LYS A 8 -5.312 -5.718 -1.691 1.00 0.00 C +ATOM 142 CD LYS A 8 -5.595 -7.194 -2.011 1.00 0.00 C +ATOM 143 CE LYS A 8 -7.083 -7.358 -2.351 1.00 0.00 C +ATOM 144 NZ LYS A 8 -7.467 -8.781 -2.499 1.00 0.00 N +ATOM 145 H LYS A 8 -3.201 -3.604 -0.166 1.00 0.00 H +ATOM 146 HA LYS A 8 -3.277 -6.443 -0.202 1.00 0.00 H +ATOM 147 HB2 LYS A 8 -3.830 -4.256 -2.119 1.00 0.00 H +ATOM 148 HB3 LYS A 8 -3.518 -5.782 -2.874 1.00 0.00 H +ATOM 149 HG2 LYS A 8 -5.538 -5.544 -0.657 1.00 0.00 H +ATOM 150 HG3 LYS A 8 -5.933 -5.099 -2.340 1.00 0.00 H +ATOM 151 HD2 LYS A 8 -4.999 -7.501 -2.849 1.00 0.00 H +ATOM 152 HD3 LYS A 8 -5.322 -7.812 -1.153 1.00 0.00 H +ATOM 153 HE2 LYS A 8 -7.668 -6.922 -1.564 1.00 0.00 H +ATOM 154 HE3 LYS A 8 -7.274 -6.823 -3.286 1.00 0.00 H +ATOM 155 HZ1 LYS A 8 -6.831 -9.251 -3.130 1.00 0.00 H +ATOM 156 HZ2 LYS A 8 -7.436 -9.244 -1.601 1.00 0.00 H +ATOM 157 HZ3 LYS A 8 -8.406 -8.854 -2.869 1.00 0.00 H +ATOM 158 N ASP A 9 -0.560 -5.331 -1.687 1.00 0.00 N +ATOM 159 CA ASP A 9 0.784 -5.780 -2.096 1.00 0.00 C +ATOM 160 C ASP A 9 1.568 -6.488 -0.965 1.00 0.00 C +ATOM 161 O ASP A 9 2.503 -7.234 -1.258 1.00 0.00 O +ATOM 162 CB ASP A 9 1.632 -4.594 -2.600 1.00 0.00 C +ATOM 163 CG ASP A 9 1.231 -4.011 -3.959 1.00 0.00 C +ATOM 164 OD1 ASP A 9 1.430 -4.722 -4.969 1.00 0.00 O +ATOM 165 OD2 ASP A 9 0.856 -2.815 -4.003 1.00 0.00 O +ATOM 166 H ASP A 9 -0.747 -4.339 -1.618 1.00 0.00 H +ATOM 167 HA ASP A 9 0.686 -6.498 -2.912 1.00 0.00 H +ATOM 168 HB2 ASP A 9 1.563 -3.808 -1.872 1.00 0.00 H +ATOM 169 HB3 ASP A 9 2.656 -4.948 -2.713 1.00 0.00 H +ATOM 170 N GLY A 10 1.199 -6.278 0.311 1.00 0.00 N +ATOM 171 CA GLY A 10 1.937 -6.750 1.490 1.00 0.00 C +ATOM 172 C GLY A 10 2.431 -5.639 2.432 1.00 0.00 C +ATOM 173 O GLY A 10 3.200 -5.926 3.352 1.00 0.00 O +ATOM 174 H GLY A 10 0.336 -5.769 0.474 1.00 0.00 H +ATOM 175 HA2 GLY A 10 1.286 -7.408 2.066 1.00 0.00 H +ATOM 176 HA3 GLY A 10 2.807 -7.329 1.179 1.00 0.00 H +ATOM 177 N GLY A 11 2.031 -4.376 2.219 1.00 0.00 N +ATOM 178 CA GLY A 11 2.470 -3.241 3.034 1.00 0.00 C +ATOM 179 C GLY A 11 4.000 -3.062 3.006 1.00 0.00 C +ATOM 180 O GLY A 11 4.575 -3.113 1.914 1.00 0.00 O +ATOM 181 H GLY A 11 1.469 -4.186 1.397 1.00 0.00 H +ATOM 182 HA2 GLY A 11 2.015 -2.334 2.636 1.00 0.00 H +ATOM 183 HA3 GLY A 11 2.114 -3.391 4.051 1.00 0.00 H +ATOM 184 N PRO A 12 4.686 -2.853 4.152 1.00 0.00 N +ATOM 185 CA PRO A 12 6.138 -2.627 4.199 1.00 0.00 C +ATOM 186 C PRO A 12 6.979 -3.705 3.499 1.00 0.00 C +ATOM 187 O PRO A 12 8.023 -3.398 2.928 1.00 0.00 O +ATOM 188 CB PRO A 12 6.504 -2.546 5.686 1.00 0.00 C +ATOM 189 CG PRO A 12 5.198 -2.156 6.370 1.00 0.00 C +ATOM 190 CD PRO A 12 4.133 -2.817 5.498 1.00 0.00 C +ATOM 191 HA PRO A 12 6.351 -1.666 3.730 1.00 0.00 H +ATOM 192 HB2 PRO A 12 6.853 -3.495 6.045 1.00 0.00 H +ATOM 193 HB3 PRO A 12 7.286 -1.807 5.866 1.00 0.00 H +ATOM 194 HG2 PRO A 12 5.162 -2.534 7.374 1.00 0.00 H +ATOM 195 HG3 PRO A 12 5.079 -1.073 6.340 1.00 0.00 H +ATOM 196 HD2 PRO A 12 3.931 -3.812 5.845 1.00 0.00 H +ATOM 197 HD3 PRO A 12 3.207 -2.241 5.544 1.00 0.00 H +ATOM 198 N SER A 13 6.508 -4.958 3.493 1.00 0.00 N +ATOM 199 CA SER A 13 7.189 -6.103 2.872 1.00 0.00 C +ATOM 200 C SER A 13 7.058 -6.147 1.336 1.00 0.00 C +ATOM 201 O SER A 13 7.435 -7.142 0.722 1.00 0.00 O +ATOM 202 CB SER A 13 6.693 -7.403 3.522 1.00 0.00 C +ATOM 203 OG SER A 13 7.056 -7.403 4.891 1.00 0.00 O +ATOM 204 H SER A 13 5.629 -5.143 3.955 1.00 0.00 H +ATOM 205 HA SER A 13 8.255 -6.026 3.087 1.00 0.00 H +ATOM 206 HB2 SER A 13 5.625 -7.465 3.433 1.00 0.00 H +ATOM 207 HB3 SER A 13 7.159 -8.260 3.034 1.00 0.00 H +ATOM 208 HG SER A 13 6.918 -8.284 5.253 1.00 0.00 H +ATOM 209 N SER A 14 6.545 -5.077 0.709 1.00 0.00 N +ATOM 210 CA SER A 14 6.283 -4.978 -0.737 1.00 0.00 C +ATOM 211 C SER A 14 7.371 -4.237 -1.526 1.00 0.00 C +ATOM 212 O SER A 14 7.218 -4.034 -2.732 1.00 0.00 O +ATOM 213 CB SER A 14 4.974 -4.222 -0.999 1.00 0.00 C +ATOM 214 OG SER A 14 3.964 -4.544 -0.082 1.00 0.00 O +ATOM 215 H SER A 14 6.237 -4.313 1.299 1.00 0.00 H +ATOM 216 HA SER A 14 6.178 -5.981 -1.151 1.00 0.00 H +ATOM 217 HB2 SER A 14 5.169 -3.169 -0.937 1.00 0.00 H +ATOM 218 HB3 SER A 14 4.638 -4.447 -2.011 1.00 0.00 H +ATOM 219 HG SER A 14 4.139 -4.000 0.726 1.00 0.00 H +ATOM 220 N GLY A 15 8.414 -3.725 -0.859 1.00 0.00 N +ATOM 221 CA GLY A 15 9.471 -2.894 -1.454 1.00 0.00 C +ATOM 222 C GLY A 15 9.041 -1.455 -1.795 1.00 0.00 C +ATOM 223 O GLY A 15 9.819 -0.525 -1.599 1.00 0.00 O +ATOM 224 H GLY A 15 8.450 -3.903 0.136 1.00 0.00 H +ATOM 225 HA2 GLY A 15 10.311 -2.842 -0.764 1.00 0.00 H +ATOM 226 HA3 GLY A 15 9.822 -3.367 -2.372 1.00 0.00 H +ATOM 227 N ARG A 16 7.814 -1.262 -2.297 1.00 0.00 N +ATOM 228 CA ARG A 16 7.226 0.051 -2.611 1.00 0.00 C +ATOM 229 C ARG A 16 6.816 0.830 -1.338 1.00 0.00 C +ATOM 230 O ARG A 16 6.195 0.243 -0.447 1.00 0.00 O +ATOM 231 CB ARG A 16 6.050 -0.120 -3.595 1.00 0.00 C +ATOM 232 CG ARG A 16 4.880 -0.960 -3.052 1.00 0.00 C +ATOM 233 CD ARG A 16 3.737 -1.115 -4.058 1.00 0.00 C +ATOM 234 NE ARG A 16 4.012 -2.181 -5.038 1.00 0.00 N +ATOM 235 CZ ARG A 16 3.322 -2.423 -6.147 1.00 0.00 C +ATOM 236 NH1 ARG A 16 2.338 -1.649 -6.533 1.00 0.00 N +ATOM 237 NH2 ARG A 16 3.618 -3.461 -6.892 1.00 0.00 N +ATOM 238 H ARG A 16 7.281 -2.107 -2.474 1.00 0.00 H +ATOM 239 HA ARG A 16 8.002 0.620 -3.123 1.00 0.00 H +ATOM 240 HB2 ARG A 16 5.676 0.855 -3.843 1.00 0.00 H +ATOM 241 HB3 ARG A 16 6.426 -0.587 -4.506 1.00 0.00 H +ATOM 242 HG2 ARG A 16 5.248 -1.936 -2.800 1.00 0.00 H +ATOM 243 HG3 ARG A 16 4.474 -0.469 -2.174 1.00 0.00 H +ATOM 244 HD2 ARG A 16 2.836 -1.356 -3.526 1.00 0.00 H +ATOM 245 HD3 ARG A 16 3.570 -0.162 -4.563 1.00 0.00 H +ATOM 246 HE ARG A 16 4.727 -2.848 -4.801 1.00 0.00 H +ATOM 247 HH11 ARG A 16 1.964 -1.052 -5.816 1.00 0.00 H +ATOM 248 HH12 ARG A 16 1.772 -1.893 -7.322 1.00 0.00 H +ATOM 249 HH21 ARG A 16 4.226 -4.165 -6.517 1.00 0.00 H +ATOM 250 HH22 ARG A 16 3.002 -3.699 -7.645 1.00 0.00 H +ATOM 251 N PRO A 17 7.097 2.147 -1.240 1.00 0.00 N +ATOM 252 CA PRO A 17 6.733 2.965 -0.077 1.00 0.00 C +ATOM 253 C PRO A 17 5.211 3.205 0.012 1.00 0.00 C +ATOM 254 O PRO A 17 4.514 3.057 -0.995 1.00 0.00 O +ATOM 255 CB PRO A 17 7.499 4.279 -0.266 1.00 0.00 C +ATOM 256 CG PRO A 17 7.601 4.413 -1.783 1.00 0.00 C +ATOM 257 CD PRO A 17 7.764 2.966 -2.245 1.00 0.00 C +ATOM 258 HA PRO A 17 7.073 2.472 0.834 1.00 0.00 H +ATOM 259 HB2 PRO A 17 6.958 5.103 0.157 1.00 0.00 H +ATOM 260 HB3 PRO A 17 8.500 4.183 0.158 1.00 0.00 H +ATOM 261 HG2 PRO A 17 6.711 4.851 -2.192 1.00 0.00 H +ATOM 262 HG3 PRO A 17 8.451 5.031 -2.080 1.00 0.00 H +ATOM 263 HD2 PRO A 17 7.305 2.827 -3.205 1.00 0.00 H +ATOM 264 HD3 PRO A 17 8.823 2.707 -2.277 1.00 0.00 H +ATOM 265 N PRO A 18 4.682 3.595 1.190 1.00 0.00 N +ATOM 266 CA PRO A 18 3.257 3.860 1.368 1.00 0.00 C +ATOM 267 C PRO A 18 2.815 5.129 0.616 1.00 0.00 C +ATOM 268 O PRO A 18 3.586 6.086 0.526 1.00 0.00 O +ATOM 269 CB PRO A 18 3.049 4.007 2.879 1.00 0.00 C +ATOM 270 CG PRO A 18 4.407 4.496 3.377 1.00 0.00 C +ATOM 271 CD PRO A 18 5.393 3.792 2.447 1.00 0.00 C +ATOM 272 HA PRO A 18 2.691 3.004 1.010 1.00 0.00 H +ATOM 273 HB2 PRO A 18 2.280 4.725 3.093 1.00 0.00 H +ATOM 274 HB3 PRO A 18 2.830 3.031 3.313 1.00 0.00 H +ATOM 275 HG2 PRO A 18 4.488 5.562 3.288 1.00 0.00 H +ATOM 276 HG3 PRO A 18 4.575 4.231 4.423 1.00 0.00 H +ATOM 277 HD2 PRO A 18 6.262 4.402 2.293 1.00 0.00 H +ATOM 278 HD3 PRO A 18 5.666 2.823 2.864 1.00 0.00 H +ATOM 279 N PRO A 19 1.564 5.179 0.116 1.00 0.00 N +ATOM 280 CA PRO A 19 1.048 6.326 -0.630 1.00 0.00 C +ATOM 281 C PRO A 19 0.603 7.495 0.262 1.00 0.00 C +ATOM 282 O PRO A 19 0.510 8.619 -0.227 1.00 0.00 O +ATOM 283 CB PRO A 19 -0.136 5.763 -1.415 1.00 0.00 C +ATOM 284 CG PRO A 19 -0.683 4.666 -0.501 1.00 0.00 C +ATOM 285 CD PRO A 19 0.585 4.100 0.134 1.00 0.00 C +ATOM 286 HA PRO A 19 1.801 6.695 -1.328 1.00 0.00 H +ATOM 287 HB2 PRO A 19 -0.875 6.521 -1.589 1.00 0.00 H +ATOM 288 HB3 PRO A 19 0.239 5.311 -2.333 1.00 0.00 H +ATOM 289 HG2 PRO A 19 -1.340 5.073 0.243 1.00 0.00 H +ATOM 290 HG3 PRO A 19 -1.221 3.904 -1.064 1.00 0.00 H +ATOM 291 HD2 PRO A 19 0.390 3.791 1.143 1.00 0.00 H +ATOM 292 HD3 PRO A 19 0.959 3.279 -0.477 1.00 0.00 H +ATOM 293 N SER A 20 0.367 7.228 1.556 1.00 0.00 N +ATOM 294 CA SER A 20 -0.233 8.139 2.544 1.00 0.00 C +ATOM 295 C SER A 20 -1.656 8.585 2.160 1.00 0.00 C +ATOM 296 O SER A 20 -2.384 7.708 1.628 1.00 0.00 O +ATOM 297 CB SER A 20 0.737 9.297 2.810 1.00 0.00 C +ATOM 298 OG SER A 20 0.750 9.605 4.190 1.00 0.00 O +ATOM 299 OXT SER A 20 -2.026 9.739 2.451 1.00 0.00 O +ATOM 300 H SER A 20 0.453 6.262 1.817 1.00 0.00 H +ATOM 301 HA SER A 20 -0.350 7.592 3.476 1.00 0.00 H +ATOM 302 HB2 SER A 20 1.724 9.013 2.499 1.00 0.00 H +ATOM 303 HB3 SER A 20 0.448 10.165 2.214 1.00 0.00 H +ATOM 304 HG SER A 20 0.692 10.559 4.282 1.00 0.00 H +TER 305 SER A 20 +ENDMDL +MODEL 7 +ATOM 1 N ASN A 1 -8.903 5.528 -0.196 1.00 0.00 N +ATOM 2 CA ASN A 1 -7.549 5.998 -0.581 1.00 0.00 C +ATOM 3 C ASN A 1 -6.760 4.831 -1.189 1.00 0.00 C +ATOM 4 O ASN A 1 -7.247 3.705 -1.144 1.00 0.00 O +ATOM 5 CB ASN A 1 -6.831 6.647 0.620 1.00 0.00 C +ATOM 6 CG ASN A 1 -5.684 7.538 0.154 1.00 0.00 C +ATOM 7 OD1 ASN A 1 -4.583 7.063 -0.078 1.00 0.00 O +ATOM 8 ND2 ASN A 1 -5.924 8.815 -0.078 1.00 0.00 N +ATOM 9 H1 ASN A 1 -9.364 5.129 -1.005 1.00 0.00 H +ATOM 10 H2 ASN A 1 -8.821 4.800 0.502 1.00 0.00 H +ATOM 11 H3 ASN A 1 -9.457 6.290 0.168 1.00 0.00 H +ATOM 12 HA ASN A 1 -7.661 6.757 -1.358 1.00 0.00 H +ATOM 13 HB2 ASN A 1 -7.535 7.240 1.171 1.00 0.00 H +ATOM 14 HB3 ASN A 1 -6.437 5.876 1.282 1.00 0.00 H +ATOM 15 HD21 ASN A 1 -6.803 9.269 0.111 1.00 0.00 H +ATOM 16 HD22 ASN A 1 -5.123 9.345 -0.388 1.00 0.00 H +ATOM 17 N LEU A 2 -5.566 5.065 -1.745 1.00 0.00 N +ATOM 18 CA LEU A 2 -4.705 4.017 -2.308 1.00 0.00 C +ATOM 19 C LEU A 2 -4.063 3.108 -1.244 1.00 0.00 C +ATOM 20 O LEU A 2 -3.570 2.036 -1.587 1.00 0.00 O +ATOM 21 CB LEU A 2 -3.636 4.665 -3.218 1.00 0.00 C +ATOM 22 CG LEU A 2 -3.984 4.537 -4.715 1.00 0.00 C +ATOM 23 CD1 LEU A 2 -3.137 5.490 -5.557 1.00 0.00 C +ATOM 24 CD2 LEU A 2 -3.737 3.110 -5.216 1.00 0.00 C +ATOM 25 H LEU A 2 -5.153 5.991 -1.653 1.00 0.00 H +ATOM 26 HA LEU A 2 -5.332 3.363 -2.913 1.00 0.00 H +ATOM 27 HB2 LEU A 2 -3.557 5.706 -2.970 1.00 0.00 H +ATOM 28 HB3 LEU A 2 -2.666 4.195 -3.051 1.00 0.00 H +ATOM 29 HG LEU A 2 -5.035 4.787 -4.864 1.00 0.00 H +ATOM 30 HD11 LEU A 2 -3.377 6.522 -5.297 1.00 0.00 H +ATOM 31 HD12 LEU A 2 -2.077 5.308 -5.382 1.00 0.00 H +ATOM 32 HD13 LEU A 2 -3.356 5.339 -6.615 1.00 0.00 H +ATOM 33 HD21 LEU A 2 -2.687 2.842 -5.096 1.00 0.00 H +ATOM 34 HD22 LEU A 2 -4.350 2.412 -4.658 1.00 0.00 H +ATOM 35 HD23 LEU A 2 -4.007 3.032 -6.270 1.00 0.00 H +ATOM 36 N TYR A 3 -4.102 3.487 0.042 1.00 0.00 N +ATOM 37 CA TYR A 3 -3.503 2.730 1.149 1.00 0.00 C +ATOM 38 C TYR A 3 -3.977 1.265 1.216 1.00 0.00 C +ATOM 39 O TYR A 3 -3.168 0.369 1.448 1.00 0.00 O +ATOM 40 CB TYR A 3 -3.768 3.466 2.474 1.00 0.00 C +ATOM 41 CG TYR A 3 -2.672 3.279 3.509 1.00 0.00 C +ATOM 42 CD1 TYR A 3 -2.536 2.057 4.196 1.00 0.00 C +ATOM 43 CD2 TYR A 3 -1.783 4.339 3.784 1.00 0.00 C +ATOM 44 CE1 TYR A 3 -1.523 1.895 5.162 1.00 0.00 C +ATOM 45 CE2 TYR A 3 -0.765 4.177 4.741 1.00 0.00 C +ATOM 46 CZ TYR A 3 -0.640 2.961 5.441 1.00 0.00 C +ATOM 47 OH TYR A 3 0.309 2.837 6.407 1.00 0.00 O +ATOM 48 H TYR A 3 -4.453 4.414 0.232 1.00 0.00 H +ATOM 49 HA TYR A 3 -2.424 2.713 0.990 1.00 0.00 H +ATOM 50 HB2 TYR A 3 -3.861 4.514 2.266 1.00 0.00 H +ATOM 51 HB3 TYR A 3 -4.720 3.136 2.894 1.00 0.00 H +ATOM 52 HD1 TYR A 3 -3.211 1.241 3.988 1.00 0.00 H +ATOM 53 HD2 TYR A 3 -1.890 5.287 3.275 1.00 0.00 H +ATOM 54 HE1 TYR A 3 -1.418 0.959 5.689 1.00 0.00 H +ATOM 55 HE2 TYR A 3 -0.083 4.982 4.975 1.00 0.00 H +ATOM 56 HH TYR A 3 0.037 2.243 7.107 1.00 0.00 H +ATOM 57 N ILE A 4 -5.269 1.004 0.959 1.00 0.00 N +ATOM 58 CA ILE A 4 -5.833 -0.356 0.888 1.00 0.00 C +ATOM 59 C ILE A 4 -5.161 -1.164 -0.238 1.00 0.00 C +ATOM 60 O ILE A 4 -4.772 -2.318 -0.049 1.00 0.00 O +ATOM 61 CB ILE A 4 -7.371 -0.313 0.696 1.00 0.00 C +ATOM 62 CG1 ILE A 4 -8.110 0.552 1.752 1.00 0.00 C +ATOM 63 CG2 ILE A 4 -7.954 -1.737 0.753 1.00 0.00 C +ATOM 64 CD1 ILE A 4 -8.509 1.938 1.232 1.00 0.00 C +ATOM 65 H ILE A 4 -5.872 1.790 0.762 1.00 0.00 H +ATOM 66 HA ILE A 4 -5.619 -0.864 1.831 1.00 0.00 H +ATOM 67 HB ILE A 4 -7.587 0.085 -0.297 1.00 0.00 H +ATOM 68 HG12 ILE A 4 -8.999 0.033 2.055 1.00 0.00 H +ATOM 69 HG13 ILE A 4 -7.496 0.664 2.647 1.00 0.00 H +ATOM 70 HG21 ILE A 4 -7.517 -2.368 -0.021 1.00 0.00 H +ATOM 71 HG22 ILE A 4 -7.761 -2.183 1.729 1.00 0.00 H +ATOM 72 HG23 ILE A 4 -9.031 -1.704 0.581 1.00 0.00 H +ATOM 73 HD11 ILE A 4 -7.626 2.563 1.121 1.00 0.00 H +ATOM 74 HD12 ILE A 4 -9.024 1.846 0.274 1.00 0.00 H +ATOM 75 HD13 ILE A 4 -9.188 2.410 1.945 1.00 0.00 H +ATOM 76 N GLN A 5 -5.003 -0.544 -1.411 1.00 0.00 N +ATOM 77 CA GLN A 5 -4.375 -1.125 -2.597 1.00 0.00 C +ATOM 78 C GLN A 5 -2.869 -1.353 -2.405 1.00 0.00 C +ATOM 79 O GLN A 5 -2.354 -2.357 -2.886 1.00 0.00 O +ATOM 80 CB GLN A 5 -4.661 -0.216 -3.809 1.00 0.00 C +ATOM 81 CG GLN A 5 -5.379 -0.927 -4.966 1.00 0.00 C +ATOM 82 CD GLN A 5 -4.417 -1.485 -6.011 1.00 0.00 C +ATOM 83 OE1 GLN A 5 -4.226 -0.906 -7.068 1.00 0.00 O +ATOM 84 NE2 GLN A 5 -3.781 -2.614 -5.772 1.00 0.00 N +ATOM 85 H GLN A 5 -5.256 0.433 -1.455 1.00 0.00 H +ATOM 86 HA GLN A 5 -4.826 -2.102 -2.768 1.00 0.00 H +ATOM 87 HB2 GLN A 5 -5.275 0.600 -3.481 1.00 0.00 H +ATOM 88 HB3 GLN A 5 -3.731 0.222 -4.174 1.00 0.00 H +ATOM 89 HG2 GLN A 5 -5.955 -1.738 -4.564 1.00 0.00 H +ATOM 90 HG3 GLN A 5 -6.017 -0.197 -5.466 1.00 0.00 H +ATOM 91 HE21 GLN A 5 -3.799 -3.091 -4.886 1.00 0.00 H +ATOM 92 HE22 GLN A 5 -3.166 -2.885 -6.520 1.00 0.00 H +ATOM 93 N TRP A 6 -2.181 -0.471 -1.666 1.00 0.00 N +ATOM 94 CA TRP A 6 -0.803 -0.688 -1.216 1.00 0.00 C +ATOM 95 C TRP A 6 -0.702 -1.871 -0.236 1.00 0.00 C +ATOM 96 O TRP A 6 0.137 -2.753 -0.420 1.00 0.00 O +ATOM 97 CB TRP A 6 -0.253 0.612 -0.609 1.00 0.00 C +ATOM 98 CG TRP A 6 1.148 0.524 -0.079 1.00 0.00 C +ATOM 99 CD1 TRP A 6 2.275 0.502 -0.828 1.00 0.00 C +ATOM 100 CD2 TRP A 6 1.590 0.428 1.311 1.00 0.00 C +ATOM 101 NE1 TRP A 6 3.377 0.391 0.000 1.00 0.00 N +ATOM 102 CE2 TRP A 6 3.013 0.346 1.324 1.00 0.00 C +ATOM 103 CE3 TRP A 6 0.937 0.410 2.563 1.00 0.00 C +ATOM 104 CZ2 TRP A 6 3.756 0.265 2.509 1.00 0.00 C +ATOM 105 CZ3 TRP A 6 1.672 0.321 3.762 1.00 0.00 C +ATOM 106 CH2 TRP A 6 3.077 0.254 3.738 1.00 0.00 C +ATOM 107 H TRP A 6 -2.666 0.378 -1.389 1.00 0.00 H +ATOM 108 HA TRP A 6 -0.189 -0.942 -2.080 1.00 0.00 H +ATOM 109 HB2 TRP A 6 -0.274 1.369 -1.369 1.00 0.00 H +ATOM 110 HB3 TRP A 6 -0.902 0.932 0.205 1.00 0.00 H +ATOM 111 HD1 TRP A 6 2.303 0.552 -1.909 1.00 0.00 H +ATOM 112 HE1 TRP A 6 4.354 0.366 -0.301 1.00 0.00 H +ATOM 113 HE3 TRP A 6 -0.141 0.482 2.594 1.00 0.00 H +ATOM 114 HZ2 TRP A 6 4.833 0.212 2.461 1.00 0.00 H +ATOM 115 HZ3 TRP A 6 1.154 0.320 4.711 1.00 0.00 H +ATOM 116 HH2 TRP A 6 3.633 0.202 4.663 1.00 0.00 H +ATOM 117 N LEU A 7 -1.584 -1.939 0.773 1.00 0.00 N +ATOM 118 CA LEU A 7 -1.618 -3.061 1.719 1.00 0.00 C +ATOM 119 C LEU A 7 -1.896 -4.418 1.055 1.00 0.00 C +ATOM 120 O LEU A 7 -1.383 -5.420 1.551 1.00 0.00 O +ATOM 121 CB LEU A 7 -2.638 -2.803 2.843 1.00 0.00 C +ATOM 122 CG LEU A 7 -2.158 -1.828 3.935 1.00 0.00 C +ATOM 123 CD1 LEU A 7 -3.332 -1.509 4.865 1.00 0.00 C +ATOM 124 CD2 LEU A 7 -1.029 -2.411 4.793 1.00 0.00 C +ATOM 125 H LEU A 7 -2.238 -1.169 0.902 1.00 0.00 H +ATOM 126 HA LEU A 7 -0.625 -3.152 2.159 1.00 0.00 H +ATOM 127 HB2 LEU A 7 -3.528 -2.398 2.401 1.00 0.00 H +ATOM 128 HB3 LEU A 7 -2.875 -3.753 3.326 1.00 0.00 H +ATOM 129 HG LEU A 7 -1.813 -0.903 3.475 1.00 0.00 H +ATOM 130 HD11 LEU A 7 -4.138 -1.046 4.295 1.00 0.00 H +ATOM 131 HD12 LEU A 7 -3.701 -2.424 5.328 1.00 0.00 H +ATOM 132 HD13 LEU A 7 -3.014 -0.822 5.647 1.00 0.00 H +ATOM 133 HD21 LEU A 7 -1.366 -3.322 5.290 1.00 0.00 H +ATOM 134 HD22 LEU A 7 -0.162 -2.644 4.181 1.00 0.00 H +ATOM 135 HD23 LEU A 7 -0.726 -1.685 5.547 1.00 0.00 H +ATOM 136 N LYS A 8 -2.649 -4.469 -0.060 1.00 0.00 N +ATOM 137 CA LYS A 8 -2.926 -5.712 -0.805 1.00 0.00 C +ATOM 138 C LYS A 8 -1.673 -6.493 -1.213 1.00 0.00 C +ATOM 139 O LYS A 8 -1.747 -7.718 -1.261 1.00 0.00 O +ATOM 140 CB LYS A 8 -3.745 -5.435 -2.077 1.00 0.00 C +ATOM 141 CG LYS A 8 -5.245 -5.187 -1.834 1.00 0.00 C +ATOM 142 CD LYS A 8 -6.112 -6.160 -2.652 1.00 0.00 C +ATOM 143 CE LYS A 8 -6.013 -7.607 -2.144 1.00 0.00 C +ATOM 144 NZ LYS A 8 -6.775 -7.803 -0.889 1.00 0.00 N +ATOM 145 H LYS A 8 -3.091 -3.603 -0.351 1.00 0.00 H +ATOM 146 HA LYS A 8 -3.486 -6.385 -0.157 1.00 0.00 H +ATOM 147 HB2 LYS A 8 -3.336 -4.566 -2.556 1.00 0.00 H +ATOM 148 HB3 LYS A 8 -3.629 -6.287 -2.748 1.00 0.00 H +ATOM 149 HG2 LYS A 8 -5.457 -5.322 -0.791 1.00 0.00 H +ATOM 150 HG3 LYS A 8 -5.483 -4.171 -2.145 1.00 0.00 H +ATOM 151 HD2 LYS A 8 -7.135 -5.843 -2.591 1.00 0.00 H +ATOM 152 HD3 LYS A 8 -5.787 -6.129 -3.694 1.00 0.00 H +ATOM 153 HE2 LYS A 8 -6.405 -8.266 -2.895 1.00 0.00 H +ATOM 154 HE3 LYS A 8 -4.957 -7.857 -1.989 1.00 0.00 H +ATOM 155 HZ1 LYS A 8 -6.431 -7.175 -0.174 1.00 0.00 H +ATOM 156 HZ2 LYS A 8 -7.755 -7.610 -1.046 1.00 0.00 H +ATOM 157 HZ3 LYS A 8 -6.676 -8.755 -0.564 1.00 0.00 H +ATOM 158 N ASP A 9 -0.575 -5.806 -1.542 1.00 0.00 N +ATOM 159 CA ASP A 9 0.679 -6.439 -1.960 1.00 0.00 C +ATOM 160 C ASP A 9 1.407 -7.073 -0.759 1.00 0.00 C +ATOM 161 O ASP A 9 1.771 -8.246 -0.798 1.00 0.00 O +ATOM 162 CB ASP A 9 1.529 -5.384 -2.684 1.00 0.00 C +ATOM 163 CG ASP A 9 2.629 -6.016 -3.539 1.00 0.00 C +ATOM 164 OD1 ASP A 9 3.661 -6.415 -2.960 1.00 0.00 O +ATOM 165 OD2 ASP A 9 2.415 -6.083 -4.770 1.00 0.00 O +ATOM 166 H ASP A 9 -0.608 -4.796 -1.483 1.00 0.00 H +ATOM 167 HA ASP A 9 0.451 -7.236 -2.670 1.00 0.00 H +ATOM 168 HB2 ASP A 9 0.890 -4.801 -3.319 1.00 0.00 H +ATOM 169 HB3 ASP A 9 1.960 -4.694 -1.962 1.00 0.00 H +ATOM 170 N GLY A 10 1.538 -6.316 0.338 1.00 0.00 N +ATOM 171 CA GLY A 10 2.154 -6.771 1.590 1.00 0.00 C +ATOM 172 C GLY A 10 2.656 -5.655 2.516 1.00 0.00 C +ATOM 173 O GLY A 10 3.600 -5.875 3.278 1.00 0.00 O +ATOM 174 H GLY A 10 1.219 -5.364 0.236 1.00 0.00 H +ATOM 175 HA2 GLY A 10 1.421 -7.360 2.140 1.00 0.00 H +ATOM 176 HA3 GLY A 10 2.998 -7.420 1.354 1.00 0.00 H +ATOM 177 N GLY A 11 2.069 -4.451 2.456 1.00 0.00 N +ATOM 178 CA GLY A 11 2.511 -3.295 3.240 1.00 0.00 C +ATOM 179 C GLY A 11 4.009 -2.997 3.049 1.00 0.00 C +ATOM 180 O GLY A 11 4.473 -2.994 1.904 1.00 0.00 O +ATOM 181 H GLY A 11 1.299 -4.330 1.814 1.00 0.00 H +ATOM 182 HA2 GLY A 11 1.950 -2.415 2.922 1.00 0.00 H +ATOM 183 HA3 GLY A 11 2.285 -3.490 4.287 1.00 0.00 H +ATOM 184 N PRO A 12 4.798 -2.757 4.119 1.00 0.00 N +ATOM 185 CA PRO A 12 6.237 -2.490 4.008 1.00 0.00 C +ATOM 186 C PRO A 12 7.033 -3.579 3.271 1.00 0.00 C +ATOM 187 O PRO A 12 8.035 -3.275 2.626 1.00 0.00 O +ATOM 188 CB PRO A 12 6.745 -2.333 5.447 1.00 0.00 C +ATOM 189 CG PRO A 12 5.496 -1.973 6.248 1.00 0.00 C +ATOM 190 CD PRO A 12 4.382 -2.715 5.512 1.00 0.00 C +ATOM 191 HA PRO A 12 6.371 -1.546 3.479 1.00 0.00 H +ATOM 192 HB2 PRO A 12 7.173 -3.251 5.802 1.00 0.00 H +ATOM 193 HB3 PRO A 12 7.505 -1.553 5.517 1.00 0.00 H +ATOM 194 HG2 PRO A 12 5.579 -2.312 7.263 1.00 0.00 H +ATOM 195 HG3 PRO A 12 5.320 -0.898 6.189 1.00 0.00 H +ATOM 196 HD2 PRO A 12 4.273 -3.709 5.901 1.00 0.00 H +ATOM 197 HD3 PRO A 12 3.437 -2.188 5.641 1.00 0.00 H +ATOM 198 N SER A 13 6.580 -4.841 3.318 1.00 0.00 N +ATOM 199 CA SER A 13 7.226 -5.980 2.655 1.00 0.00 C +ATOM 200 C SER A 13 6.995 -6.022 1.132 1.00 0.00 C +ATOM 201 O SER A 13 7.473 -6.945 0.480 1.00 0.00 O +ATOM 202 CB SER A 13 6.775 -7.286 3.323 1.00 0.00 C +ATOM 203 OG SER A 13 7.214 -7.315 4.671 1.00 0.00 O +ATOM 204 H SER A 13 5.719 -5.035 3.818 1.00 0.00 H +ATOM 205 HA SER A 13 8.303 -5.894 2.797 1.00 0.00 H +ATOM 206 HB2 SER A 13 5.704 -7.348 3.296 1.00 0.00 H +ATOM 207 HB3 SER A 13 7.200 -8.143 2.797 1.00 0.00 H +ATOM 208 HG SER A 13 8.172 -7.390 4.683 1.00 0.00 H +ATOM 209 N SER A 14 6.312 -5.020 0.559 1.00 0.00 N +ATOM 210 CA SER A 14 6.003 -4.909 -0.880 1.00 0.00 C +ATOM 211 C SER A 14 7.153 -4.342 -1.729 1.00 0.00 C +ATOM 212 O SER A 14 7.036 -4.271 -2.950 1.00 0.00 O +ATOM 213 CB SER A 14 4.797 -3.981 -1.103 1.00 0.00 C +ATOM 214 OG SER A 14 3.761 -4.194 -0.169 1.00 0.00 O +ATOM 215 H SER A 14 5.943 -4.308 1.175 1.00 0.00 H +ATOM 216 HA SER A 14 5.743 -5.896 -1.266 1.00 0.00 H +ATOM 217 HB2 SER A 14 5.128 -2.964 -1.021 1.00 0.00 H +ATOM 218 HB3 SER A 14 4.414 -4.137 -2.112 1.00 0.00 H +ATOM 219 HG SER A 14 4.006 -3.709 0.659 1.00 0.00 H +ATOM 220 N GLY A 15 8.240 -3.857 -1.110 1.00 0.00 N +ATOM 221 CA GLY A 15 9.347 -3.207 -1.825 1.00 0.00 C +ATOM 222 C GLY A 15 9.072 -1.761 -2.273 1.00 0.00 C +ATOM 223 O GLY A 15 9.838 -1.222 -3.067 1.00 0.00 O +ATOM 224 H GLY A 15 8.290 -3.959 -0.106 1.00 0.00 H +ATOM 225 HA2 GLY A 15 10.231 -3.198 -1.187 1.00 0.00 H +ATOM 226 HA3 GLY A 15 9.588 -3.789 -2.715 1.00 0.00 H +ATOM 227 N ARG A 16 7.994 -1.127 -1.781 1.00 0.00 N +ATOM 228 CA ARG A 16 7.572 0.231 -2.153 1.00 0.00 C +ATOM 229 C ARG A 16 6.983 0.981 -0.944 1.00 0.00 C +ATOM 230 O ARG A 16 6.181 0.382 -0.224 1.00 0.00 O +ATOM 231 CB ARG A 16 6.533 0.117 -3.285 1.00 0.00 C +ATOM 232 CG ARG A 16 6.200 1.481 -3.901 1.00 0.00 C +ATOM 233 CD ARG A 16 5.147 1.363 -5.008 1.00 0.00 C +ATOM 234 NE ARG A 16 5.045 2.615 -5.780 1.00 0.00 N +ATOM 235 CZ ARG A 16 4.495 3.765 -5.404 1.00 0.00 C +ATOM 236 NH1 ARG A 16 3.939 3.937 -4.225 1.00 0.00 N +ATOM 237 NH2 ARG A 16 4.510 4.784 -6.232 1.00 0.00 N +ATOM 238 H ARG A 16 7.425 -1.634 -1.117 1.00 0.00 H +ATOM 239 HA ARG A 16 8.445 0.765 -2.527 1.00 0.00 H +ATOM 240 HB2 ARG A 16 6.925 -0.523 -4.052 1.00 0.00 H +ATOM 241 HB3 ARG A 16 5.621 -0.343 -2.899 1.00 0.00 H +ATOM 242 HG2 ARG A 16 5.824 2.127 -3.131 1.00 0.00 H +ATOM 243 HG3 ARG A 16 7.111 1.904 -4.324 1.00 0.00 H +ATOM 244 HD2 ARG A 16 5.422 0.565 -5.670 1.00 0.00 H +ATOM 245 HD3 ARG A 16 4.180 1.105 -4.573 1.00 0.00 H +ATOM 246 HE ARG A 16 5.452 2.594 -6.699 1.00 0.00 H +ATOM 247 HH11 ARG A 16 3.987 3.199 -3.541 1.00 0.00 H +ATOM 248 HH12 ARG A 16 3.537 4.819 -3.965 1.00 0.00 H +ATOM 249 HH21 ARG A 16 4.943 4.701 -7.136 1.00 0.00 H +ATOM 250 HH22 ARG A 16 4.103 5.659 -5.956 1.00 0.00 H +ATOM 251 N PRO A 17 7.298 2.279 -0.734 1.00 0.00 N +ATOM 252 CA PRO A 17 6.723 3.073 0.357 1.00 0.00 C +ATOM 253 C PRO A 17 5.203 3.301 0.202 1.00 0.00 C +ATOM 254 O PRO A 17 4.670 3.166 -0.908 1.00 0.00 O +ATOM 255 CB PRO A 17 7.497 4.399 0.343 1.00 0.00 C +ATOM 256 CG PRO A 17 7.943 4.539 -1.109 1.00 0.00 C +ATOM 257 CD PRO A 17 8.231 3.093 -1.505 1.00 0.00 C +ATOM 258 HA PRO A 17 6.912 2.560 1.300 1.00 0.00 H +ATOM 259 HB2 PRO A 17 6.863 5.216 0.629 1.00 0.00 H +ATOM 260 HB3 PRO A 17 8.374 4.317 0.985 1.00 0.00 H +ATOM 261 HG2 PRO A 17 7.164 4.960 -1.715 1.00 0.00 H +ATOM 262 HG3 PRO A 17 8.827 5.172 -1.206 1.00 0.00 H +ATOM 263 HD2 PRO A 17 8.069 2.954 -2.556 1.00 0.00 H +ATOM 264 HD3 PRO A 17 9.253 2.834 -1.225 1.00 0.00 H +ATOM 265 N PRO A 18 4.505 3.662 1.301 1.00 0.00 N +ATOM 266 CA PRO A 18 3.065 3.925 1.293 1.00 0.00 C +ATOM 267 C PRO A 18 2.700 5.218 0.535 1.00 0.00 C +ATOM 268 O PRO A 18 3.563 6.066 0.303 1.00 0.00 O +ATOM 269 CB PRO A 18 2.661 4.003 2.774 1.00 0.00 C +ATOM 270 CG PRO A 18 3.933 4.476 3.472 1.00 0.00 C +ATOM 271 CD PRO A 18 5.039 3.819 2.649 1.00 0.00 C +ATOM 272 HA PRO A 18 2.557 3.083 0.827 1.00 0.00 H +ATOM 273 HB2 PRO A 18 1.863 4.706 2.916 1.00 0.00 H +ATOM 274 HB3 PRO A 18 2.402 3.008 3.132 1.00 0.00 H +ATOM 275 HG2 PRO A 18 4.014 5.546 3.443 1.00 0.00 H +ATOM 276 HG3 PRO A 18 3.962 4.161 4.516 1.00 0.00 H +ATOM 277 HD2 PRO A 18 5.912 4.443 2.633 1.00 0.00 H +ATOM 278 HD3 PRO A 18 5.271 2.838 3.065 1.00 0.00 H +ATOM 279 N PRO A 19 1.420 5.389 0.147 1.00 0.00 N +ATOM 280 CA PRO A 19 0.934 6.590 -0.541 1.00 0.00 C +ATOM 281 C PRO A 19 0.630 7.773 0.396 1.00 0.00 C +ATOM 282 O PRO A 19 0.546 8.904 -0.075 1.00 0.00 O +ATOM 283 CB PRO A 19 -0.347 6.136 -1.247 1.00 0.00 C +ATOM 284 CG PRO A 19 -0.893 5.051 -0.317 1.00 0.00 C +ATOM 285 CD PRO A 19 0.371 4.378 0.209 1.00 0.00 C +ATOM 286 HA PRO A 19 1.659 6.921 -1.282 1.00 0.00 H +ATOM 287 HB2 PRO A 19 -1.043 6.948 -1.342 1.00 0.00 H +ATOM 288 HB3 PRO A 19 -0.093 5.696 -2.212 1.00 0.00 H +ATOM 289 HG2 PRO A 19 -1.462 5.481 0.484 1.00 0.00 H +ATOM 290 HG3 PRO A 19 -1.521 4.344 -0.854 1.00 0.00 H +ATOM 291 HD2 PRO A 19 0.226 4.052 1.221 1.00 0.00 H +ATOM 292 HD3 PRO A 19 0.641 3.547 -0.443 1.00 0.00 H +ATOM 293 N SER A 20 0.436 7.512 1.697 1.00 0.00 N +ATOM 294 CA SER A 20 0.332 8.504 2.776 1.00 0.00 C +ATOM 295 C SER A 20 1.687 8.700 3.451 1.00 0.00 C +ATOM 296 O SER A 20 2.070 9.878 3.606 1.00 0.00 O +ATOM 297 CB SER A 20 -0.673 8.043 3.830 1.00 0.00 C +ATOM 298 OG SER A 20 -1.935 7.948 3.212 1.00 0.00 O +ATOM 299 OXT SER A 20 2.277 7.664 3.828 1.00 0.00 O +ATOM 300 H SER A 20 0.578 6.559 1.993 1.00 0.00 H +ATOM 301 HA SER A 20 0.032 9.475 2.381 1.00 0.00 H +ATOM 302 HB2 SER A 20 -0.383 7.085 4.216 1.00 0.00 H +ATOM 303 HB3 SER A 20 -0.705 8.762 4.652 1.00 0.00 H +ATOM 304 HG SER A 20 -1.800 8.230 2.302 1.00 0.00 H +TER 305 SER A 20 +ENDMDL +MODEL 8 +ATOM 1 N ASN A 1 -8.769 4.941 0.058 1.00 0.00 N +ATOM 2 CA ASN A 1 -8.628 3.743 -0.810 1.00 0.00 C +ATOM 3 C ASN A 1 -7.194 3.417 -1.223 1.00 0.00 C +ATOM 4 O ASN A 1 -6.825 2.255 -1.104 1.00 0.00 O +ATOM 5 CB ASN A 1 -9.576 3.798 -2.012 1.00 0.00 C +ATOM 6 CG ASN A 1 -10.980 3.563 -1.485 1.00 0.00 C +ATOM 7 OD1 ASN A 1 -11.581 4.475 -0.943 1.00 0.00 O +ATOM 8 ND2 ASN A 1 -11.465 2.335 -1.495 1.00 0.00 N +ATOM 9 H1 ASN A 1 -8.177 4.864 0.873 1.00 0.00 H +ATOM 10 H2 ASN A 1 -8.539 5.782 -0.450 1.00 0.00 H +ATOM 11 H3 ASN A 1 -9.736 5.016 0.359 1.00 0.00 H +ATOM 12 HA ASN A 1 -8.940 2.881 -0.218 1.00 0.00 H +ATOM 13 HB2 ASN A 1 -9.516 4.760 -2.484 1.00 0.00 H +ATOM 14 HB3 ASN A 1 -9.322 3.021 -2.735 1.00 0.00 H +ATOM 15 HD21 ASN A 1 -10.980 1.548 -1.895 1.00 0.00 H +ATOM 16 HD22 ASN A 1 -12.387 2.236 -1.101 1.00 0.00 H +ATOM 17 N LEU A 2 -6.386 4.385 -1.677 1.00 0.00 N +ATOM 18 CA LEU A 2 -4.979 4.182 -2.071 1.00 0.00 C +ATOM 19 C LEU A 2 -4.170 3.301 -1.091 1.00 0.00 C +ATOM 20 O LEU A 2 -3.510 2.351 -1.513 1.00 0.00 O +ATOM 21 CB LEU A 2 -4.298 5.547 -2.330 1.00 0.00 C +ATOM 22 CG LEU A 2 -4.562 6.652 -1.277 1.00 0.00 C +ATOM 23 CD1 LEU A 2 -3.311 7.480 -1.001 1.00 0.00 C +ATOM 24 CD2 LEU A 2 -5.661 7.624 -1.728 1.00 0.00 C +ATOM 25 H LEU A 2 -6.742 5.314 -1.830 1.00 0.00 H +ATOM 26 HA LEU A 2 -4.973 3.640 -3.018 1.00 0.00 H +ATOM 27 HB2 LEU A 2 -3.239 5.382 -2.373 1.00 0.00 H +ATOM 28 HB3 LEU A 2 -4.613 5.914 -3.308 1.00 0.00 H +ATOM 29 HG LEU A 2 -4.870 6.194 -0.336 1.00 0.00 H +ATOM 30 HD11 LEU A 2 -2.556 6.855 -0.534 1.00 0.00 H +ATOM 31 HD12 LEU A 2 -2.907 7.891 -1.928 1.00 0.00 H +ATOM 32 HD13 LEU A 2 -3.544 8.302 -0.323 1.00 0.00 H +ATOM 33 HD21 LEU A 2 -5.277 8.270 -2.519 1.00 0.00 H +ATOM 34 HD22 LEU A 2 -6.532 7.099 -2.108 1.00 0.00 H +ATOM 35 HD23 LEU A 2 -5.957 8.251 -0.887 1.00 0.00 H +ATOM 36 N TYR A 3 -4.272 3.566 0.214 1.00 0.00 N +ATOM 37 CA TYR A 3 -3.591 2.791 1.257 1.00 0.00 C +ATOM 38 C TYR A 3 -4.035 1.316 1.320 1.00 0.00 C +ATOM 39 O TYR A 3 -3.216 0.439 1.587 1.00 0.00 O +ATOM 40 CB TYR A 3 -3.809 3.489 2.607 1.00 0.00 C +ATOM 41 CG TYR A 3 -2.680 3.265 3.592 1.00 0.00 C +ATOM 42 CD1 TYR A 3 -2.635 2.094 4.373 1.00 0.00 C +ATOM 43 CD2 TYR A 3 -1.676 4.243 3.732 1.00 0.00 C +ATOM 44 CE1 TYR A 3 -1.601 1.916 5.312 1.00 0.00 C +ATOM 45 CE2 TYR A 3 -0.650 4.078 4.679 1.00 0.00 C +ATOM 46 CZ TYR A 3 -0.618 2.916 5.478 1.00 0.00 C +ATOM 47 OH TYR A 3 0.344 2.765 6.428 1.00 0.00 O +ATOM 48 H TYR A 3 -4.793 4.381 0.493 1.00 0.00 H +ATOM 49 HA TYR A 3 -2.522 2.805 1.039 1.00 0.00 H +ATOM 50 HB2 TYR A 3 -3.904 4.544 2.433 1.00 0.00 H +ATOM 51 HB3 TYR A 3 -4.748 3.153 3.047 1.00 0.00 H +ATOM 52 HD1 TYR A 3 -3.397 1.337 4.260 1.00 0.00 H +ATOM 53 HD2 TYR A 3 -1.691 5.139 3.130 1.00 0.00 H +ATOM 54 HE1 TYR A 3 -1.558 1.031 5.929 1.00 0.00 H +ATOM 55 HE2 TYR A 3 0.099 4.851 4.791 1.00 0.00 H +ATOM 56 HH TYR A 3 0.794 3.595 6.593 1.00 0.00 H +ATOM 57 N ILE A 4 -5.312 1.025 1.029 1.00 0.00 N +ATOM 58 CA ILE A 4 -5.855 -0.341 0.979 1.00 0.00 C +ATOM 59 C ILE A 4 -5.188 -1.123 -0.163 1.00 0.00 C +ATOM 60 O ILE A 4 -4.740 -2.254 0.031 1.00 0.00 O +ATOM 61 CB ILE A 4 -7.398 -0.328 0.820 1.00 0.00 C +ATOM 62 CG1 ILE A 4 -8.143 0.621 1.794 1.00 0.00 C +ATOM 63 CG2 ILE A 4 -7.976 -1.749 0.938 1.00 0.00 C +ATOM 64 CD1 ILE A 4 -7.792 0.462 3.281 1.00 0.00 C +ATOM 65 H ILE A 4 -5.901 1.775 0.693 1.00 0.00 H +ATOM 66 HA ILE A 4 -5.609 -0.846 1.915 1.00 0.00 H +ATOM 67 HB ILE A 4 -7.635 0.015 -0.186 1.00 0.00 H +ATOM 68 HG12 ILE A 4 -7.917 1.630 1.508 1.00 0.00 H +ATOM 69 HG13 ILE A 4 -9.215 0.465 1.676 1.00 0.00 H +ATOM 70 HG21 ILE A 4 -7.579 -2.387 0.147 1.00 0.00 H +ATOM 71 HG22 ILE A 4 -7.724 -2.190 1.903 1.00 0.00 H +ATOM 72 HG23 ILE A 4 -9.062 -1.721 0.834 1.00 0.00 H +ATOM 73 HD11 ILE A 4 -7.711 -0.590 3.551 1.00 0.00 H +ATOM 74 HD12 ILE A 4 -6.848 0.965 3.496 1.00 0.00 H +ATOM 75 HD13 ILE A 4 -8.578 0.918 3.885 1.00 0.00 H +ATOM 76 N GLN A 5 -5.075 -0.498 -1.343 1.00 0.00 N +ATOM 77 CA GLN A 5 -4.362 -1.071 -2.489 1.00 0.00 C +ATOM 78 C GLN A 5 -2.867 -1.283 -2.198 1.00 0.00 C +ATOM 79 O GLN A 5 -2.320 -2.311 -2.590 1.00 0.00 O +ATOM 80 CB GLN A 5 -4.555 -0.198 -3.737 1.00 0.00 C +ATOM 81 CG GLN A 5 -5.995 -0.248 -4.266 1.00 0.00 C +ATOM 82 CD GLN A 5 -6.126 0.517 -5.579 1.00 0.00 C +ATOM 83 OE1 GLN A 5 -5.978 -0.031 -6.658 1.00 0.00 O +ATOM 84 NE2 GLN A 5 -6.401 1.806 -5.540 1.00 0.00 N +ATOM 85 H GLN A 5 -5.445 0.441 -1.413 1.00 0.00 H +ATOM 86 HA GLN A 5 -4.782 -2.057 -2.696 1.00 0.00 H +ATOM 87 HB2 GLN A 5 -4.314 0.818 -3.488 1.00 0.00 H +ATOM 88 HB3 GLN A 5 -3.891 -0.565 -4.522 1.00 0.00 H +ATOM 89 HG2 GLN A 5 -6.273 -1.272 -4.428 1.00 0.00 H +ATOM 90 HG3 GLN A 5 -6.680 0.175 -3.530 1.00 0.00 H +ATOM 91 HE21 GLN A 5 -6.520 2.309 -4.682 1.00 0.00 H +ATOM 92 HE22 GLN A 5 -6.457 2.229 -6.452 1.00 0.00 H +ATOM 93 N TRP A 6 -2.207 -0.362 -1.483 1.00 0.00 N +ATOM 94 CA TRP A 6 -0.824 -0.567 -1.033 1.00 0.00 C +ATOM 95 C TRP A 6 -0.685 -1.753 -0.064 1.00 0.00 C +ATOM 96 O TRP A 6 0.203 -2.588 -0.244 1.00 0.00 O +ATOM 97 CB TRP A 6 -0.276 0.722 -0.418 1.00 0.00 C +ATOM 98 CG TRP A 6 1.118 0.612 0.126 1.00 0.00 C +ATOM 99 CD1 TRP A 6 2.254 0.594 -0.609 1.00 0.00 C +ATOM 100 CD2 TRP A 6 1.544 0.501 1.519 1.00 0.00 C +ATOM 101 NE1 TRP A 6 3.347 0.461 0.227 1.00 0.00 N +ATOM 102 CE2 TRP A 6 2.967 0.413 1.548 1.00 0.00 C +ATOM 103 CE3 TRP A 6 0.878 0.488 2.764 1.00 0.00 C +ATOM 104 CZ2 TRP A 6 3.697 0.331 2.741 1.00 0.00 C +ATOM 105 CZ3 TRP A 6 1.600 0.402 3.971 1.00 0.00 C +ATOM 106 CH2 TRP A 6 3.004 0.331 3.961 1.00 0.00 C +ATOM 107 H TRP A 6 -2.689 0.503 -1.249 1.00 0.00 H +ATOM 108 HA TRP A 6 -0.214 -0.807 -1.905 1.00 0.00 H +ATOM 109 HB2 TRP A 6 -0.281 1.482 -1.175 1.00 0.00 H +ATOM 110 HB3 TRP A 6 -0.933 1.043 0.389 1.00 0.00 H +ATOM 111 HD1 TRP A 6 2.293 0.681 -1.686 1.00 0.00 H +ATOM 112 HE1 TRP A 6 4.326 0.458 -0.069 1.00 0.00 H +ATOM 113 HE3 TRP A 6 -0.200 0.564 2.787 1.00 0.00 H +ATOM 114 HZ2 TRP A 6 4.776 0.281 2.705 1.00 0.00 H +ATOM 115 HZ3 TRP A 6 1.071 0.411 4.914 1.00 0.00 H +ATOM 116 HH2 TRP A 6 3.548 0.291 4.893 1.00 0.00 H +ATOM 117 N LEU A 7 -1.580 -1.874 0.927 1.00 0.00 N +ATOM 118 CA LEU A 7 -1.599 -3.031 1.829 1.00 0.00 C +ATOM 119 C LEU A 7 -1.786 -4.356 1.073 1.00 0.00 C +ATOM 120 O LEU A 7 -1.124 -5.333 1.422 1.00 0.00 O +ATOM 121 CB LEU A 7 -2.674 -2.852 2.916 1.00 0.00 C +ATOM 122 CG LEU A 7 -2.324 -1.798 3.986 1.00 0.00 C +ATOM 123 CD1 LEU A 7 -3.552 -1.544 4.867 1.00 0.00 C +ATOM 124 CD2 LEU A 7 -1.168 -2.243 4.890 1.00 0.00 C +ATOM 125 H LEU A 7 -2.270 -1.136 1.054 1.00 0.00 H +ATOM 126 HA LEU A 7 -0.625 -3.099 2.308 1.00 0.00 H +ATOM 127 HB2 LEU A 7 -3.588 -2.556 2.439 1.00 0.00 H +ATOM 128 HB3 LEU A 7 -2.827 -3.808 3.419 1.00 0.00 H +ATOM 129 HG LEU A 7 -2.045 -0.863 3.506 1.00 0.00 H +ATOM 130 HD11 LEU A 7 -4.374 -1.176 4.252 1.00 0.00 H +ATOM 131 HD12 LEU A 7 -3.856 -2.467 5.361 1.00 0.00 H +ATOM 132 HD13 LEU A 7 -3.318 -0.796 5.624 1.00 0.00 H +ATOM 133 HD21 LEU A 7 -1.414 -3.187 5.378 1.00 0.00 H +ATOM 134 HD22 LEU A 7 -0.257 -2.363 4.309 1.00 0.00 H +ATOM 135 HD23 LEU A 7 -0.985 -1.485 5.652 1.00 0.00 H +ATOM 136 N LYS A 8 -2.609 -4.385 0.009 1.00 0.00 N +ATOM 137 CA LYS A 8 -2.835 -5.565 -0.847 1.00 0.00 C +ATOM 138 C LYS A 8 -1.558 -6.137 -1.482 1.00 0.00 C +ATOM 139 O LYS A 8 -1.510 -7.335 -1.746 1.00 0.00 O +ATOM 140 CB LYS A 8 -3.872 -5.210 -1.927 1.00 0.00 C +ATOM 141 CG LYS A 8 -4.472 -6.419 -2.672 1.00 0.00 C +ATOM 142 CD LYS A 8 -3.967 -6.562 -4.118 1.00 0.00 C +ATOM 143 CE LYS A 8 -4.912 -7.488 -4.895 1.00 0.00 C +ATOM 144 NZ LYS A 8 -4.381 -7.814 -6.240 1.00 0.00 N +ATOM 145 H LYS A 8 -3.146 -3.541 -0.174 1.00 0.00 H +ATOM 146 HA LYS A 8 -3.247 -6.357 -0.218 1.00 0.00 H +ATOM 147 HB2 LYS A 8 -4.675 -4.677 -1.456 1.00 0.00 H +ATOM 148 HB3 LYS A 8 -3.417 -4.531 -2.647 1.00 0.00 H +ATOM 149 HG2 LYS A 8 -4.216 -7.311 -2.133 1.00 0.00 H +ATOM 150 HG3 LYS A 8 -5.554 -6.284 -2.697 1.00 0.00 H +ATOM 151 HD2 LYS A 8 -3.944 -5.597 -4.587 1.00 0.00 H +ATOM 152 HD3 LYS A 8 -2.954 -6.968 -4.111 1.00 0.00 H +ATOM 153 HE2 LYS A 8 -5.039 -8.398 -4.342 1.00 0.00 H +ATOM 154 HE3 LYS A 8 -5.879 -6.986 -4.990 1.00 0.00 H +ATOM 155 HZ1 LYS A 8 -4.156 -6.967 -6.745 1.00 0.00 H +ATOM 156 HZ2 LYS A 8 -3.540 -8.372 -6.153 1.00 0.00 H +ATOM 157 HZ3 LYS A 8 -5.066 -8.339 -6.770 1.00 0.00 H +ATOM 158 N ASP A 9 -0.531 -5.310 -1.709 1.00 0.00 N +ATOM 159 CA ASP A 9 0.782 -5.753 -2.199 1.00 0.00 C +ATOM 160 C ASP A 9 1.608 -6.478 -1.111 1.00 0.00 C +ATOM 161 O ASP A 9 2.514 -7.238 -1.445 1.00 0.00 O +ATOM 162 CB ASP A 9 1.552 -4.536 -2.756 1.00 0.00 C +ATOM 163 CG ASP A 9 2.243 -4.819 -4.098 1.00 0.00 C +ATOM 164 OD1 ASP A 9 1.520 -4.894 -5.114 1.00 0.00 O +ATOM 165 OD2 ASP A 9 3.496 -4.834 -4.151 1.00 0.00 O +ATOM 166 H ASP A 9 -0.652 -4.327 -1.493 1.00 0.00 H +ATOM 167 HA ASP A 9 0.624 -6.460 -3.016 1.00 0.00 H +ATOM 168 HB2 ASP A 9 0.860 -3.728 -2.893 1.00 0.00 H +ATOM 169 HB3 ASP A 9 2.281 -4.194 -2.021 1.00 0.00 H +ATOM 170 N GLY A 10 1.277 -6.270 0.176 1.00 0.00 N +ATOM 171 CA GLY A 10 2.025 -6.755 1.345 1.00 0.00 C +ATOM 172 C GLY A 10 2.511 -5.652 2.302 1.00 0.00 C +ATOM 173 O GLY A 10 3.330 -5.927 3.184 1.00 0.00 O +ATOM 174 H GLY A 10 0.421 -5.751 0.355 1.00 0.00 H +ATOM 175 HA2 GLY A 10 1.382 -7.428 1.912 1.00 0.00 H +ATOM 176 HA3 GLY A 10 2.898 -7.318 1.016 1.00 0.00 H +ATOM 177 N GLY A 11 2.061 -4.397 2.131 1.00 0.00 N +ATOM 178 CA GLY A 11 2.503 -3.261 2.946 1.00 0.00 C +ATOM 179 C GLY A 11 4.031 -3.074 2.887 1.00 0.00 C +ATOM 180 O GLY A 11 4.595 -3.162 1.791 1.00 0.00 O +ATOM 181 H GLY A 11 1.442 -4.219 1.351 1.00 0.00 H +ATOM 182 HA2 GLY A 11 2.030 -2.351 2.579 1.00 0.00 H +ATOM 183 HA3 GLY A 11 2.173 -3.433 3.969 1.00 0.00 H +ATOM 184 N PRO A 12 4.729 -2.844 4.022 1.00 0.00 N +ATOM 185 CA PRO A 12 6.186 -2.657 4.057 1.00 0.00 C +ATOM 186 C PRO A 12 7.000 -3.804 3.440 1.00 0.00 C +ATOM 187 O PRO A 12 8.098 -3.571 2.938 1.00 0.00 O +ATOM 188 CB PRO A 12 6.560 -2.503 5.537 1.00 0.00 C +ATOM 189 CG PRO A 12 5.258 -2.091 6.219 1.00 0.00 C +ATOM 190 CD PRO A 12 4.187 -2.773 5.373 1.00 0.00 C +ATOM 191 HA PRO A 12 6.428 -1.733 3.531 1.00 0.00 H +ATOM 192 HB2 PRO A 12 6.920 -3.432 5.936 1.00 0.00 H +ATOM 193 HB3 PRO A 12 7.339 -1.752 5.678 1.00 0.00 H +ATOM 194 HG2 PRO A 12 5.228 -2.441 7.233 1.00 0.00 H +ATOM 195 HG3 PRO A 12 5.143 -1.008 6.161 1.00 0.00 H +ATOM 196 HD2 PRO A 12 3.987 -3.759 5.747 1.00 0.00 H +ATOM 197 HD3 PRO A 12 3.262 -2.198 5.412 1.00 0.00 H +ATOM 198 N SER A 13 6.470 -5.035 3.441 1.00 0.00 N +ATOM 199 CA SER A 13 7.162 -6.235 2.936 1.00 0.00 C +ATOM 200 C SER A 13 7.153 -6.352 1.402 1.00 0.00 C +ATOM 201 O SER A 13 7.495 -7.398 0.861 1.00 0.00 O +ATOM 202 CB SER A 13 6.574 -7.490 3.595 1.00 0.00 C +ATOM 203 OG SER A 13 6.813 -7.451 4.988 1.00 0.00 O +ATOM 204 H SER A 13 5.505 -5.137 3.737 1.00 0.00 H +ATOM 205 HA SER A 13 8.211 -6.179 3.232 1.00 0.00 H +ATOM 206 HB2 SER A 13 5.517 -7.526 3.415 1.00 0.00 H +ATOM 207 HB3 SER A 13 7.054 -8.380 3.187 1.00 0.00 H +ATOM 208 HG SER A 13 6.443 -6.640 5.343 1.00 0.00 H +ATOM 209 N SER A 14 6.767 -5.279 0.701 1.00 0.00 N +ATOM 210 CA SER A 14 6.504 -5.245 -0.744 1.00 0.00 C +ATOM 211 C SER A 14 7.583 -4.513 -1.556 1.00 0.00 C +ATOM 212 O SER A 14 7.477 -4.434 -2.776 1.00 0.00 O +ATOM 213 CB SER A 14 5.171 -4.534 -0.999 1.00 0.00 C +ATOM 214 OG SER A 14 4.177 -4.877 -0.070 1.00 0.00 O +ATOM 215 H SER A 14 6.484 -4.475 1.245 1.00 0.00 H +ATOM 216 HA SER A 14 6.420 -6.264 -1.123 1.00 0.00 H +ATOM 217 HB2 SER A 14 5.334 -3.475 -0.949 1.00 0.00 H +ATOM 218 HB3 SER A 14 4.831 -4.746 -2.011 1.00 0.00 H +ATOM 219 HG SER A 14 4.259 -4.235 0.675 1.00 0.00 H +ATOM 220 N GLY A 15 8.589 -3.916 -0.899 1.00 0.00 N +ATOM 221 CA GLY A 15 9.628 -3.120 -1.568 1.00 0.00 C +ATOM 222 C GLY A 15 9.147 -1.769 -2.127 1.00 0.00 C +ATOM 223 O GLY A 15 9.811 -1.210 -2.995 1.00 0.00 O +ATOM 224 H GLY A 15 8.637 -4.053 0.102 1.00 0.00 H +ATOM 225 HA2 GLY A 15 10.434 -2.923 -0.862 1.00 0.00 H +ATOM 226 HA3 GLY A 15 10.042 -3.698 -2.394 1.00 0.00 H +ATOM 227 N ARG A 16 8.006 -1.245 -1.647 1.00 0.00 N +ATOM 228 CA ARG A 16 7.372 -0.003 -2.121 1.00 0.00 C +ATOM 229 C ARG A 16 6.899 0.883 -0.950 1.00 0.00 C +ATOM 230 O ARG A 16 6.250 0.369 -0.033 1.00 0.00 O +ATOM 231 CB ARG A 16 6.209 -0.320 -3.084 1.00 0.00 C +ATOM 232 CG ARG A 16 5.215 -1.352 -2.526 1.00 0.00 C +ATOM 233 CD ARG A 16 3.904 -1.443 -3.304 1.00 0.00 C +ATOM 234 NE ARG A 16 4.061 -2.274 -4.499 1.00 0.00 N +ATOM 235 CZ ARG A 16 3.904 -1.985 -5.776 1.00 0.00 C +ATOM 236 NH1 ARG A 16 3.635 -0.767 -6.189 1.00 0.00 N +ATOM 237 NH2 ARG A 16 4.003 -2.954 -6.651 1.00 0.00 N +ATOM 238 H ARG A 16 7.548 -1.757 -0.908 1.00 0.00 H +ATOM 239 HA ARG A 16 8.120 0.548 -2.691 1.00 0.00 H +ATOM 240 HB2 ARG A 16 5.677 0.590 -3.285 1.00 0.00 H +ATOM 241 HB3 ARG A 16 6.620 -0.712 -4.017 1.00 0.00 H +ATOM 242 HG2 ARG A 16 5.685 -2.316 -2.545 1.00 0.00 H +ATOM 243 HG3 ARG A 16 4.960 -1.114 -1.497 1.00 0.00 H +ATOM 244 HD2 ARG A 16 3.151 -1.874 -2.673 1.00 0.00 H +ATOM 245 HD3 ARG A 16 3.536 -0.446 -3.542 1.00 0.00 H +ATOM 246 HE ARG A 16 4.127 -3.284 -4.320 1.00 0.00 H +ATOM 247 HH11 ARG A 16 3.507 -0.060 -5.490 1.00 0.00 H +ATOM 248 HH12 ARG A 16 3.473 -0.577 -7.160 1.00 0.00 H +ATOM 249 HH21 ARG A 16 4.040 -3.895 -6.271 1.00 0.00 H +ATOM 250 HH22 ARG A 16 3.899 -2.795 -7.633 1.00 0.00 H +ATOM 251 N PRO A 17 7.166 2.205 -0.969 1.00 0.00 N +ATOM 252 CA PRO A 17 6.727 3.117 0.088 1.00 0.00 C +ATOM 253 C PRO A 17 5.195 3.304 0.088 1.00 0.00 C +ATOM 254 O PRO A 17 4.551 3.043 -0.934 1.00 0.00 O +ATOM 255 CB PRO A 17 7.460 4.433 -0.196 1.00 0.00 C +ATOM 256 CG PRO A 17 7.647 4.418 -1.712 1.00 0.00 C +ATOM 257 CD PRO A 17 7.865 2.938 -2.017 1.00 0.00 C +ATOM 258 HA PRO A 17 7.042 2.728 1.057 1.00 0.00 H +ATOM 259 HB2 PRO A 17 6.869 5.275 0.109 1.00 0.00 H +ATOM 260 HB3 PRO A 17 8.437 4.415 0.288 1.00 0.00 H +ATOM 261 HG2 PRO A 17 6.774 4.790 -2.212 1.00 0.00 H +ATOM 262 HG3 PRO A 17 8.499 5.023 -2.023 1.00 0.00 H +ATOM 263 HD2 PRO A 17 7.459 2.692 -2.979 1.00 0.00 H +ATOM 264 HD3 PRO A 17 8.930 2.705 -1.974 1.00 0.00 H +ATOM 265 N PRO A 18 4.598 3.763 1.206 1.00 0.00 N +ATOM 266 CA PRO A 18 3.160 4.002 1.296 1.00 0.00 C +ATOM 267 C PRO A 18 2.723 5.223 0.459 1.00 0.00 C +ATOM 268 O PRO A 18 3.486 6.180 0.323 1.00 0.00 O +ATOM 269 CB PRO A 18 2.870 4.209 2.786 1.00 0.00 C +ATOM 270 CG PRO A 18 4.187 4.765 3.327 1.00 0.00 C +ATOM 271 CD PRO A 18 5.239 4.048 2.482 1.00 0.00 C +ATOM 272 HA PRO A 18 2.639 3.111 0.954 1.00 0.00 H +ATOM 273 HB2 PRO A 18 2.070 4.910 2.928 1.00 0.00 H +ATOM 274 HB3 PRO A 18 2.665 3.246 3.253 1.00 0.00 H +ATOM 275 HG2 PRO A 18 4.242 5.828 3.190 1.00 0.00 H +ATOM 276 HG3 PRO A 18 4.310 4.556 4.389 1.00 0.00 H +ATOM 277 HD2 PRO A 18 6.095 4.679 2.337 1.00 0.00 H +ATOM 278 HD3 PRO A 18 5.518 3.109 2.962 1.00 0.00 H +ATOM 279 N PRO A 19 1.487 5.223 -0.081 1.00 0.00 N +ATOM 280 CA PRO A 19 0.954 6.306 -0.911 1.00 0.00 C +ATOM 281 C PRO A 19 0.318 7.463 -0.116 1.00 0.00 C +ATOM 282 O PRO A 19 -0.042 8.473 -0.718 1.00 0.00 O +ATOM 283 CB PRO A 19 -0.097 5.617 -1.786 1.00 0.00 C +ATOM 284 CG PRO A 19 -0.667 4.552 -0.849 1.00 0.00 C +ATOM 285 CD PRO A 19 0.572 4.092 -0.088 1.00 0.00 C +ATOM 286 HA PRO A 19 1.738 6.719 -1.548 1.00 0.00 H +ATOM 287 HB2 PRO A 19 -0.857 6.308 -2.094 1.00 0.00 H +ATOM 288 HB3 PRO A 19 0.396 5.133 -2.632 1.00 0.00 H +ATOM 289 HG2 PRO A 19 -1.398 4.970 -0.184 1.00 0.00 H +ATOM 290 HG3 PRO A 19 -1.129 3.736 -1.404 1.00 0.00 H +ATOM 291 HD2 PRO A 19 0.311 3.818 0.916 1.00 0.00 H +ATOM 292 HD3 PRO A 19 1.042 3.271 -0.628 1.00 0.00 H +ATOM 293 N SER A 20 0.154 7.315 1.206 1.00 0.00 N +ATOM 294 CA SER A 20 -0.381 8.320 2.134 1.00 0.00 C +ATOM 295 C SER A 20 0.429 8.296 3.426 1.00 0.00 C +ATOM 296 O SER A 20 0.669 7.163 3.906 1.00 0.00 O +ATOM 297 CB SER A 20 -1.858 8.039 2.425 1.00 0.00 C +ATOM 298 OG SER A 20 -2.535 9.236 2.730 1.00 0.00 O +ATOM 299 OXT SER A 20 0.789 9.398 3.882 1.00 0.00 O +ATOM 300 H SER A 20 0.527 6.490 1.654 1.00 0.00 H +ATOM 301 HA SER A 20 -0.263 9.307 1.688 1.00 0.00 H +ATOM 302 HB2 SER A 20 -2.309 7.588 1.562 1.00 0.00 H +ATOM 303 HB3 SER A 20 -1.945 7.348 3.266 1.00 0.00 H +ATOM 304 HG SER A 20 -1.973 9.971 2.469 1.00 0.00 H +TER 305 SER A 20 +ENDMDL +MODEL 9 +ATOM 1 N ASN A 1 -6.355 7.914 0.576 1.00 0.00 N +ATOM 2 CA ASN A 1 -6.778 6.858 -0.378 1.00 0.00 C +ATOM 3 C ASN A 1 -5.549 6.028 -0.782 1.00 0.00 C +ATOM 4 O ASN A 1 -4.530 6.178 -0.119 1.00 0.00 O +ATOM 5 CB ASN A 1 -7.563 7.460 -1.562 1.00 0.00 C +ATOM 6 CG ASN A 1 -8.448 6.400 -2.211 1.00 0.00 C +ATOM 7 OD1 ASN A 1 -8.022 5.688 -3.104 1.00 0.00 O +ATOM 8 ND2 ASN A 1 -9.658 6.188 -1.730 1.00 0.00 N +ATOM 9 H1 ASN A 1 -5.830 7.486 1.328 1.00 0.00 H +ATOM 10 H2 ASN A 1 -5.742 8.573 0.115 1.00 0.00 H +ATOM 11 H3 ASN A 1 -7.157 8.399 0.955 1.00 0.00 H +ATOM 12 HA ASN A 1 -7.452 6.182 0.150 1.00 0.00 H +ATOM 13 HB2 ASN A 1 -8.178 8.264 -1.206 1.00 0.00 H +ATOM 14 HB3 ASN A 1 -6.872 7.865 -2.304 1.00 0.00 H +ATOM 15 HD21 ASN A 1 -10.087 6.731 -1.001 1.00 0.00 H +ATOM 16 HD22 ASN A 1 -10.166 5.465 -2.217 1.00 0.00 H +ATOM 17 N LEU A 2 -5.630 5.135 -1.783 1.00 0.00 N +ATOM 18 CA LEU A 2 -4.587 4.213 -2.289 1.00 0.00 C +ATOM 19 C LEU A 2 -3.962 3.229 -1.269 1.00 0.00 C +ATOM 20 O LEU A 2 -3.407 2.204 -1.668 1.00 0.00 O +ATOM 21 CB LEU A 2 -3.510 5.015 -3.058 1.00 0.00 C +ATOM 22 CG LEU A 2 -3.772 5.277 -4.555 1.00 0.00 C +ATOM 23 CD1 LEU A 2 -3.748 3.980 -5.372 1.00 0.00 C +ATOM 24 CD2 LEU A 2 -5.076 6.028 -4.834 1.00 0.00 C +ATOM 25 H LEU A 2 -6.497 5.119 -2.318 1.00 0.00 H +ATOM 26 HA LEU A 2 -5.078 3.561 -3.012 1.00 0.00 H +ATOM 27 HB2 LEU A 2 -3.409 5.968 -2.575 1.00 0.00 H +ATOM 28 HB3 LEU A 2 -2.567 4.475 -3.000 1.00 0.00 H +ATOM 29 HG LEU A 2 -2.952 5.903 -4.913 1.00 0.00 H +ATOM 30 HD11 LEU A 2 -2.862 3.397 -5.120 1.00 0.00 H +ATOM 31 HD12 LEU A 2 -4.638 3.385 -5.182 1.00 0.00 H +ATOM 32 HD13 LEU A 2 -3.712 4.225 -6.435 1.00 0.00 H +ATOM 33 HD21 LEU A 2 -5.932 5.392 -4.613 1.00 0.00 H +ATOM 34 HD22 LEU A 2 -5.123 6.933 -4.230 1.00 0.00 H +ATOM 35 HD23 LEU A 2 -5.117 6.307 -5.887 1.00 0.00 H +ATOM 36 N TYR A 3 -4.092 3.484 0.034 1.00 0.00 N +ATOM 37 CA TYR A 3 -3.507 2.707 1.123 1.00 0.00 C +ATOM 38 C TYR A 3 -3.985 1.247 1.144 1.00 0.00 C +ATOM 39 O TYR A 3 -3.180 0.347 1.372 1.00 0.00 O +ATOM 40 CB TYR A 3 -3.807 3.419 2.451 1.00 0.00 C +ATOM 41 CG TYR A 3 -2.696 3.269 3.468 1.00 0.00 C +ATOM 42 CD1 TYR A 3 -2.590 2.095 4.240 1.00 0.00 C +ATOM 43 CD2 TYR A 3 -1.753 4.303 3.625 1.00 0.00 C +ATOM 44 CE1 TYR A 3 -1.550 1.959 5.180 1.00 0.00 C +ATOM 45 CE2 TYR A 3 -0.711 4.172 4.561 1.00 0.00 C +ATOM 46 CZ TYR A 3 -0.611 3.005 5.344 1.00 0.00 C +ATOM 47 OH TYR A 3 0.374 2.911 6.276 1.00 0.00 O +ATOM 48 H TYR A 3 -4.425 4.414 0.259 1.00 0.00 H +ATOM 49 HA TYR A 3 -2.425 2.700 0.981 1.00 0.00 H +ATOM 50 HB2 TYR A 3 -3.951 4.464 2.254 1.00 0.00 H +ATOM 51 HB3 TYR A 3 -4.742 3.045 2.871 1.00 0.00 H +ATOM 52 HD1 TYR A 3 -3.308 1.299 4.106 1.00 0.00 H +ATOM 53 HD2 TYR A 3 -1.821 5.207 3.034 1.00 0.00 H +ATOM 54 HE1 TYR A 3 -1.462 1.059 5.769 1.00 0.00 H +ATOM 55 HE2 TYR A 3 0.006 4.966 4.698 1.00 0.00 H +ATOM 56 HH TYR A 3 0.027 2.663 7.133 1.00 0.00 H +ATOM 57 N ILE A 4 -5.271 0.998 0.853 1.00 0.00 N +ATOM 58 CA ILE A 4 -5.839 -0.354 0.750 1.00 0.00 C +ATOM 59 C ILE A 4 -5.129 -1.160 -0.354 1.00 0.00 C +ATOM 60 O ILE A 4 -4.715 -2.294 -0.121 1.00 0.00 O +ATOM 61 CB ILE A 4 -7.375 -0.317 0.526 1.00 0.00 C +ATOM 62 CG1 ILE A 4 -8.137 0.556 1.557 1.00 0.00 C +ATOM 63 CG2 ILE A 4 -7.940 -1.748 0.590 1.00 0.00 C +ATOM 64 CD1 ILE A 4 -8.425 1.981 1.063 1.00 0.00 C +ATOM 65 H ILE A 4 -5.872 1.793 0.698 1.00 0.00 H +ATOM 66 HA ILE A 4 -5.651 -0.867 1.695 1.00 0.00 H +ATOM 67 HB ILE A 4 -7.576 0.069 -0.474 1.00 0.00 H +ATOM 68 HG12 ILE A 4 -9.072 0.079 1.780 1.00 0.00 H +ATOM 69 HG13 ILE A 4 -7.585 0.601 2.497 1.00 0.00 H +ATOM 70 HG21 ILE A 4 -7.504 -2.371 -0.192 1.00 0.00 H +ATOM 71 HG22 ILE A 4 -7.727 -2.194 1.563 1.00 0.00 H +ATOM 72 HG23 ILE A 4 -9.020 -1.731 0.437 1.00 0.00 H +ATOM 73 HD11 ILE A 4 -7.512 2.575 1.038 1.00 0.00 H +ATOM 74 HD12 ILE A 4 -8.867 1.949 0.066 1.00 0.00 H +ATOM 75 HD13 ILE A 4 -9.137 2.458 1.739 1.00 0.00 H +ATOM 76 N GLN A 5 -4.949 -0.564 -1.544 1.00 0.00 N +ATOM 77 CA GLN A 5 -4.210 -1.179 -2.650 1.00 0.00 C +ATOM 78 C GLN A 5 -2.730 -1.412 -2.309 1.00 0.00 C +ATOM 79 O GLN A 5 -2.180 -2.447 -2.679 1.00 0.00 O +ATOM 80 CB GLN A 5 -4.326 -0.333 -3.929 1.00 0.00 C +ATOM 81 CG GLN A 5 -5.654 -0.555 -4.672 1.00 0.00 C +ATOM 82 CD GLN A 5 -5.597 0.001 -6.097 1.00 0.00 C +ATOM 83 OE1 GLN A 5 -4.724 -0.323 -6.881 1.00 0.00 O +ATOM 84 NE2 GLN A 5 -6.527 0.846 -6.499 1.00 0.00 N +ATOM 85 H GLN A 5 -5.256 0.391 -1.646 1.00 0.00 H +ATOM 86 HA GLN A 5 -4.639 -2.162 -2.849 1.00 0.00 H +ATOM 87 HB2 GLN A 5 -4.251 0.704 -3.662 1.00 0.00 H +ATOM 88 HB3 GLN A 5 -3.512 -0.622 -4.596 1.00 0.00 H +ATOM 89 HG2 GLN A 5 -5.858 -1.608 -4.716 1.00 0.00 H +ATOM 90 HG3 GLN A 5 -6.466 -0.086 -4.117 1.00 0.00 H +ATOM 91 HE21 GLN A 5 -7.297 1.142 -5.929 1.00 0.00 H +ATOM 92 HE22 GLN A 5 -6.409 1.126 -7.459 1.00 0.00 H +ATOM 93 N TRP A 6 -2.081 -0.492 -1.584 1.00 0.00 N +ATOM 94 CA TRP A 6 -0.717 -0.712 -1.094 1.00 0.00 C +ATOM 95 C TRP A 6 -0.634 -1.871 -0.083 1.00 0.00 C +ATOM 96 O TRP A 6 0.235 -2.738 -0.203 1.00 0.00 O +ATOM 97 CB TRP A 6 -0.168 0.595 -0.511 1.00 0.00 C +ATOM 98 CG TRP A 6 1.222 0.490 0.032 1.00 0.00 C +ATOM 99 CD1 TRP A 6 2.356 0.444 -0.705 1.00 0.00 C +ATOM 100 CD2 TRP A 6 1.648 0.375 1.425 1.00 0.00 C +ATOM 101 NE1 TRP A 6 3.446 0.307 0.129 1.00 0.00 N +ATOM 102 CE2 TRP A 6 3.068 0.266 1.450 1.00 0.00 C +ATOM 103 CE3 TRP A 6 0.980 0.360 2.668 1.00 0.00 C +ATOM 104 CZ2 TRP A 6 3.796 0.163 2.643 1.00 0.00 C +ATOM 105 CZ3 TRP A 6 1.699 0.248 3.874 1.00 0.00 C +ATOM 106 CH2 TRP A 6 3.103 0.153 3.864 1.00 0.00 C +ATOM 107 H TRP A 6 -2.567 0.373 -1.361 1.00 0.00 H +ATOM 108 HA TRP A 6 -0.089 -0.993 -1.940 1.00 0.00 H +ATOM 109 HB2 TRP A 6 -0.171 1.336 -1.287 1.00 0.00 H +ATOM 110 HB3 TRP A 6 -0.824 0.933 0.292 1.00 0.00 H +ATOM 111 HD1 TRP A 6 2.407 0.492 -1.782 1.00 0.00 H +ATOM 112 HE1 TRP A 6 4.421 0.258 -0.183 1.00 0.00 H +ATOM 113 HE3 TRP A 6 -0.097 0.448 2.689 1.00 0.00 H +ATOM 114 HZ2 TRP A 6 4.873 0.086 2.605 1.00 0.00 H +ATOM 115 HZ3 TRP A 6 1.170 0.248 4.818 1.00 0.00 H +ATOM 116 HH2 TRP A 6 3.648 0.079 4.793 1.00 0.00 H +ATOM 117 N LEU A 7 -1.559 -1.927 0.884 1.00 0.00 N +ATOM 118 CA LEU A 7 -1.650 -3.030 1.843 1.00 0.00 C +ATOM 119 C LEU A 7 -1.902 -4.384 1.166 1.00 0.00 C +ATOM 120 O LEU A 7 -1.269 -5.361 1.560 1.00 0.00 O +ATOM 121 CB LEU A 7 -2.733 -2.741 2.896 1.00 0.00 C +ATOM 122 CG LEU A 7 -2.320 -1.710 3.964 1.00 0.00 C +ATOM 123 CD1 LEU A 7 -3.516 -1.453 4.886 1.00 0.00 C +ATOM 124 CD2 LEU A 7 -1.139 -2.196 4.813 1.00 0.00 C +ATOM 125 H LEU A 7 -2.231 -1.165 0.952 1.00 0.00 H +ATOM 126 HA LEU A 7 -0.687 -3.126 2.344 1.00 0.00 H +ATOM 127 HB2 LEU A 7 -3.603 -2.370 2.390 1.00 0.00 H +ATOM 128 HB3 LEU A 7 -2.981 -3.673 3.405 1.00 0.00 H +ATOM 129 HG LEU A 7 -2.041 -0.773 3.487 1.00 0.00 H +ATOM 130 HD11 LEU A 7 -4.353 -1.069 4.302 1.00 0.00 H +ATOM 131 HD12 LEU A 7 -3.815 -2.379 5.378 1.00 0.00 H +ATOM 132 HD13 LEU A 7 -3.251 -0.717 5.645 1.00 0.00 H +ATOM 133 HD21 LEU A 7 -1.303 -3.225 5.133 1.00 0.00 H +ATOM 134 HD22 LEU A 7 -0.219 -2.141 4.234 1.00 0.00 H +ATOM 135 HD23 LEU A 7 -1.022 -1.564 5.694 1.00 0.00 H +ATOM 136 N LYS A 8 -2.764 -4.435 0.137 1.00 0.00 N +ATOM 137 CA LYS A 8 -3.064 -5.639 -0.660 1.00 0.00 C +ATOM 138 C LYS A 8 -1.824 -6.358 -1.202 1.00 0.00 C +ATOM 139 O LYS A 8 -1.858 -7.580 -1.310 1.00 0.00 O +ATOM 140 CB LYS A 8 -3.983 -5.265 -1.837 1.00 0.00 C +ATOM 141 CG LYS A 8 -5.484 -5.361 -1.533 1.00 0.00 C +ATOM 142 CD LYS A 8 -5.970 -6.821 -1.519 1.00 0.00 C +ATOM 143 CE LYS A 8 -7.373 -6.934 -2.133 1.00 0.00 C +ATOM 144 NZ LYS A 8 -7.546 -8.214 -2.860 1.00 0.00 N +ATOM 145 H LYS A 8 -3.276 -3.581 -0.075 1.00 0.00 H +ATOM 146 HA LYS A 8 -3.567 -6.365 -0.022 1.00 0.00 H +ATOM 147 HB2 LYS A 8 -3.764 -4.255 -2.124 1.00 0.00 H +ATOM 148 HB3 LYS A 8 -3.765 -5.907 -2.694 1.00 0.00 H +ATOM 149 HG2 LYS A 8 -5.673 -4.922 -0.572 1.00 0.00 H +ATOM 150 HG3 LYS A 8 -6.001 -4.816 -2.323 1.00 0.00 H +ATOM 151 HD2 LYS A 8 -5.288 -7.424 -2.086 1.00 0.00 H +ATOM 152 HD3 LYS A 8 -5.982 -7.196 -0.493 1.00 0.00 H +ATOM 153 HE2 LYS A 8 -8.103 -6.877 -1.348 1.00 0.00 H +ATOM 154 HE3 LYS A 8 -7.516 -6.106 -2.833 1.00 0.00 H +ATOM 155 HZ1 LYS A 8 -6.850 -8.287 -3.593 1.00 0.00 H +ATOM 156 HZ2 LYS A 8 -7.431 -8.996 -2.230 1.00 0.00 H +ATOM 157 HZ3 LYS A 8 -8.463 -8.259 -3.283 1.00 0.00 H +ATOM 158 N ASP A 9 -0.763 -5.623 -1.552 1.00 0.00 N +ATOM 159 CA ASP A 9 0.496 -6.197 -2.043 1.00 0.00 C +ATOM 160 C ASP A 9 1.282 -6.902 -0.920 1.00 0.00 C +ATOM 161 O ASP A 9 1.817 -7.991 -1.121 1.00 0.00 O +ATOM 162 CB ASP A 9 1.321 -5.072 -2.691 1.00 0.00 C +ATOM 163 CG ASP A 9 2.292 -5.605 -3.748 1.00 0.00 C +ATOM 164 OD1 ASP A 9 3.441 -5.927 -3.382 1.00 0.00 O +ATOM 165 OD2 ASP A 9 1.868 -5.659 -4.923 1.00 0.00 O +ATOM 166 H ASP A 9 -0.837 -4.618 -1.476 1.00 0.00 H +ATOM 167 HA ASP A 9 0.265 -6.940 -2.810 1.00 0.00 H +ATOM 168 HB2 ASP A 9 0.651 -4.376 -3.157 1.00 0.00 H +ATOM 169 HB3 ASP A 9 1.866 -4.522 -1.921 1.00 0.00 H +ATOM 170 N GLY A 10 1.295 -6.304 0.280 1.00 0.00 N +ATOM 171 CA GLY A 10 2.040 -6.794 1.445 1.00 0.00 C +ATOM 172 C GLY A 10 2.489 -5.723 2.455 1.00 0.00 C +ATOM 173 O GLY A 10 3.314 -6.013 3.317 1.00 0.00 O +ATOM 174 H GLY A 10 0.707 -5.487 0.357 1.00 0.00 H +ATOM 175 HA2 GLY A 10 1.418 -7.514 1.975 1.00 0.00 H +ATOM 176 HA3 GLY A 10 2.937 -7.314 1.102 1.00 0.00 H +ATOM 177 N GLY A 11 1.982 -4.483 2.376 1.00 0.00 N +ATOM 178 CA GLY A 11 2.428 -3.400 3.257 1.00 0.00 C +ATOM 179 C GLY A 11 3.939 -3.116 3.122 1.00 0.00 C +ATOM 180 O GLY A 11 4.431 -3.017 1.996 1.00 0.00 O +ATOM 181 H GLY A 11 1.270 -4.287 1.690 1.00 0.00 H +ATOM 182 HA2 GLY A 11 1.885 -2.490 3.006 1.00 0.00 H +ATOM 183 HA3 GLY A 11 2.184 -3.679 4.281 1.00 0.00 H +ATOM 184 N PRO A 12 4.698 -2.946 4.226 1.00 0.00 N +ATOM 185 CA PRO A 12 6.130 -2.631 4.172 1.00 0.00 C +ATOM 186 C PRO A 12 7.010 -3.666 3.454 1.00 0.00 C +ATOM 187 O PRO A 12 8.063 -3.297 2.936 1.00 0.00 O +ATOM 188 CB PRO A 12 6.588 -2.475 5.628 1.00 0.00 C +ATOM 189 CG PRO A 12 5.303 -2.191 6.399 1.00 0.00 C +ATOM 190 CD PRO A 12 4.243 -2.957 5.611 1.00 0.00 C +ATOM 191 HA PRO A 12 6.248 -1.673 3.664 1.00 0.00 H +ATOM 192 HB2 PRO A 12 7.051 -3.377 5.980 1.00 0.00 H +ATOM 193 HB3 PRO A 12 7.305 -1.661 5.732 1.00 0.00 H +ATOM 194 HG2 PRO A 12 5.371 -2.555 7.406 1.00 0.00 H +ATOM 195 HG3 PRO A 12 5.086 -1.123 6.366 1.00 0.00 H +ATOM 196 HD2 PRO A 12 4.164 -3.965 5.971 1.00 0.00 H +ATOM 197 HD3 PRO A 12 3.275 -2.469 5.727 1.00 0.00 H +ATOM 198 N SER A 13 6.616 -4.948 3.398 1.00 0.00 N +ATOM 199 CA SER A 13 7.425 -6.010 2.779 1.00 0.00 C +ATOM 200 C SER A 13 7.282 -6.083 1.247 1.00 0.00 C +ATOM 201 O SER A 13 7.825 -6.993 0.624 1.00 0.00 O +ATOM 202 CB SER A 13 7.160 -7.358 3.464 1.00 0.00 C +ATOM 203 OG SER A 13 5.803 -7.725 3.370 1.00 0.00 O +ATOM 204 H SER A 13 5.705 -5.222 3.755 1.00 0.00 H +ATOM 205 HA SER A 13 8.474 -5.782 2.964 1.00 0.00 H +ATOM 206 HB2 SER A 13 7.759 -8.113 2.992 1.00 0.00 H +ATOM 207 HB3 SER A 13 7.430 -7.277 4.519 1.00 0.00 H +ATOM 208 HG SER A 13 5.735 -8.681 3.298 1.00 0.00 H +ATOM 209 N SER A 14 6.606 -5.101 0.635 1.00 0.00 N +ATOM 210 CA SER A 14 6.348 -4.975 -0.808 1.00 0.00 C +ATOM 211 C SER A 14 7.404 -4.162 -1.577 1.00 0.00 C +ATOM 212 O SER A 14 7.289 -3.990 -2.790 1.00 0.00 O +ATOM 213 CB SER A 14 5.008 -4.262 -1.007 1.00 0.00 C +ATOM 214 OG SER A 14 4.002 -4.863 -0.226 1.00 0.00 O +ATOM 215 H SER A 14 6.121 -4.441 1.233 1.00 0.00 H +ATOM 216 HA SER A 14 6.278 -5.969 -1.254 1.00 0.00 H +ATOM 217 HB2 SER A 14 5.110 -3.234 -0.719 1.00 0.00 H +ATOM 218 HB3 SER A 14 4.727 -4.291 -2.059 1.00 0.00 H +ATOM 219 HG SER A 14 3.353 -4.187 -0.015 1.00 0.00 H +ATOM 220 N GLY A 15 8.395 -3.574 -0.897 1.00 0.00 N +ATOM 221 CA GLY A 15 9.449 -2.750 -1.509 1.00 0.00 C +ATOM 222 C GLY A 15 9.021 -1.317 -1.874 1.00 0.00 C +ATOM 223 O GLY A 15 9.808 -0.389 -1.697 1.00 0.00 O +ATOM 224 H GLY A 15 8.410 -3.718 0.104 1.00 0.00 H +ATOM 225 HA2 GLY A 15 10.294 -2.689 -0.823 1.00 0.00 H +ATOM 226 HA3 GLY A 15 9.796 -3.237 -2.420 1.00 0.00 H +ATOM 227 N ARG A 16 7.790 -1.115 -2.367 1.00 0.00 N +ATOM 228 CA ARG A 16 7.218 0.212 -2.656 1.00 0.00 C +ATOM 229 C ARG A 16 6.821 0.946 -1.353 1.00 0.00 C +ATOM 230 O ARG A 16 6.154 0.335 -0.515 1.00 0.00 O +ATOM 231 CB ARG A 16 6.002 0.046 -3.589 1.00 0.00 C +ATOM 232 CG ARG A 16 5.399 1.393 -4.024 1.00 0.00 C +ATOM 233 CD ARG A 16 4.125 1.223 -4.857 1.00 0.00 C +ATOM 234 NE ARG A 16 3.497 2.535 -5.114 1.00 0.00 N +ATOM 235 CZ ARG A 16 2.320 2.983 -4.685 1.00 0.00 C +ATOM 236 NH1 ARG A 16 1.482 2.226 -4.014 1.00 0.00 N +ATOM 237 NH2 ARG A 16 1.953 4.216 -4.940 1.00 0.00 N +ATOM 238 H ARG A 16 7.238 -1.952 -2.530 1.00 0.00 H +ATOM 239 HA ARG A 16 7.984 0.787 -3.176 1.00 0.00 H +ATOM 240 HB2 ARG A 16 6.312 -0.490 -4.465 1.00 0.00 H +ATOM 241 HB3 ARG A 16 5.238 -0.540 -3.076 1.00 0.00 H +ATOM 242 HG2 ARG A 16 5.163 1.964 -3.147 1.00 0.00 H +ATOM 243 HG3 ARG A 16 6.135 1.947 -4.608 1.00 0.00 H +ATOM 244 HD2 ARG A 16 4.374 0.761 -5.793 1.00 0.00 H +ATOM 245 HD3 ARG A 16 3.445 0.561 -4.322 1.00 0.00 H +ATOM 246 HE ARG A 16 4.053 3.192 -5.635 1.00 0.00 H +ATOM 247 HH11 ARG A 16 1.728 1.264 -3.884 1.00 0.00 H +ATOM 248 HH12 ARG A 16 0.601 2.578 -3.692 1.00 0.00 H +ATOM 249 HH21 ARG A 16 2.560 4.835 -5.449 1.00 0.00 H +ATOM 250 HH22 ARG A 16 1.060 4.549 -4.627 1.00 0.00 H +ATOM 251 N PRO A 17 7.132 2.251 -1.190 1.00 0.00 N +ATOM 252 CA PRO A 17 6.721 3.035 -0.016 1.00 0.00 C +ATOM 253 C PRO A 17 5.194 3.259 0.062 1.00 0.00 C +ATOM 254 O PRO A 17 4.507 3.162 -0.959 1.00 0.00 O +ATOM 255 CB PRO A 17 7.473 4.368 -0.143 1.00 0.00 C +ATOM 256 CG PRO A 17 7.674 4.523 -1.648 1.00 0.00 C +ATOM 257 CD PRO A 17 7.904 3.085 -2.103 1.00 0.00 C +ATOM 258 HA PRO A 17 7.053 2.520 0.885 1.00 0.00 H +ATOM 259 HB2 PRO A 17 6.889 5.177 0.251 1.00 0.00 H +ATOM 260 HB3 PRO A 17 8.446 4.287 0.346 1.00 0.00 H +ATOM 261 HG2 PRO A 17 6.803 4.942 -2.114 1.00 0.00 H +ATOM 262 HG3 PRO A 17 8.524 5.165 -1.882 1.00 0.00 H +ATOM 263 HD2 PRO A 17 7.561 2.953 -3.111 1.00 0.00 H +ATOM 264 HD3 PRO A 17 8.962 2.836 -2.011 1.00 0.00 H +ATOM 265 N PRO A 18 4.651 3.589 1.252 1.00 0.00 N +ATOM 266 CA PRO A 18 3.222 3.833 1.437 1.00 0.00 C +ATOM 267 C PRO A 18 2.772 5.142 0.759 1.00 0.00 C +ATOM 268 O PRO A 18 3.480 6.148 0.843 1.00 0.00 O +ATOM 269 CB PRO A 18 3.004 3.890 2.953 1.00 0.00 C +ATOM 270 CG PRO A 18 4.356 4.348 3.494 1.00 0.00 C +ATOM 271 CD PRO A 18 5.355 3.724 2.520 1.00 0.00 C +ATOM 272 HA PRO A 18 2.669 2.988 1.034 1.00 0.00 H +ATOM 273 HB2 PRO A 18 2.233 4.593 3.203 1.00 0.00 H +ATOM 274 HB3 PRO A 18 2.784 2.892 3.327 1.00 0.00 H +ATOM 275 HG2 PRO A 18 4.430 5.418 3.487 1.00 0.00 H +ATOM 276 HG3 PRO A 18 4.520 4.003 4.516 1.00 0.00 H +ATOM 277 HD2 PRO A 18 6.211 4.361 2.405 1.00 0.00 H +ATOM 278 HD3 PRO A 18 5.649 2.736 2.877 1.00 0.00 H +ATOM 279 N PRO A 19 1.591 5.165 0.108 1.00 0.00 N +ATOM 280 CA PRO A 19 1.031 6.371 -0.488 1.00 0.00 C +ATOM 281 C PRO A 19 0.380 7.262 0.584 1.00 0.00 C +ATOM 282 O PRO A 19 -0.321 6.767 1.470 1.00 0.00 O +ATOM 283 CB PRO A 19 0.009 5.859 -1.504 1.00 0.00 C +ATOM 284 CG PRO A 19 -0.512 4.571 -0.862 1.00 0.00 C +ATOM 285 CD PRO A 19 0.696 4.034 -0.095 1.00 0.00 C +ATOM 286 HA PRO A 19 1.809 6.936 -1.005 1.00 0.00 H +ATOM 287 HB2 PRO A 19 -0.784 6.568 -1.642 1.00 0.00 H +ATOM 288 HB3 PRO A 19 0.521 5.617 -2.437 1.00 0.00 H +ATOM 289 HG2 PRO A 19 -1.327 4.778 -0.196 1.00 0.00 H +ATOM 290 HG3 PRO A 19 -0.847 3.854 -1.611 1.00 0.00 H +ATOM 291 HD2 PRO A 19 0.386 3.632 0.850 1.00 0.00 H +ATOM 292 HD3 PRO A 19 1.206 3.279 -0.693 1.00 0.00 H +ATOM 293 N SER A 20 0.592 8.578 0.472 1.00 0.00 N +ATOM 294 CA SER A 20 0.019 9.620 1.329 1.00 0.00 C +ATOM 295 C SER A 20 -0.235 10.875 0.498 1.00 0.00 C +ATOM 296 O SER A 20 0.745 11.327 -0.137 1.00 0.00 O +ATOM 297 CB SER A 20 0.977 9.898 2.490 1.00 0.00 C +ATOM 298 OG SER A 20 0.308 10.641 3.489 1.00 0.00 O +ATOM 299 OXT SER A 20 -1.409 11.298 0.440 1.00 0.00 O +ATOM 300 H SER A 20 1.168 8.935 -0.278 1.00 0.00 H +ATOM 301 HA SER A 20 -0.939 9.293 1.731 1.00 0.00 H +ATOM 302 HB2 SER A 20 1.316 8.968 2.904 1.00 0.00 H +ATOM 303 HB3 SER A 20 1.845 10.449 2.120 1.00 0.00 H +ATOM 304 HG SER A 20 0.955 10.989 4.106 1.00 0.00 H +TER 305 SER A 20 +ENDMDL +MODEL 10 +ATOM 1 N ASN A 1 -6.943 6.963 0.951 1.00 0.00 N +ATOM 2 CA ASN A 1 -7.689 6.240 -0.107 1.00 0.00 C +ATOM 3 C ASN A 1 -6.888 5.124 -0.770 1.00 0.00 C +ATOM 4 O ASN A 1 -7.377 4.006 -0.773 1.00 0.00 O +ATOM 5 CB ASN A 1 -8.340 7.202 -1.116 1.00 0.00 C +ATOM 6 CG ASN A 1 -9.413 8.048 -0.430 1.00 0.00 C +ATOM 7 OD1 ASN A 1 -9.573 7.981 0.781 1.00 0.00 O +ATOM 8 ND2 ASN A 1 -10.146 8.872 -1.153 1.00 0.00 N +ATOM 9 H1 ASN A 1 -6.551 6.315 1.619 1.00 0.00 H +ATOM 10 H2 ASN A 1 -6.210 7.532 0.552 1.00 0.00 H +ATOM 11 H3 ASN A 1 -7.600 7.571 1.435 1.00 0.00 H +ATOM 12 HA ASN A 1 -8.514 5.723 0.389 1.00 0.00 H +ATOM 13 HB2 ASN A 1 -7.587 7.849 -1.524 1.00 0.00 H +ATOM 14 HB3 ASN A 1 -8.816 6.622 -1.909 1.00 0.00 H +ATOM 15 HD21 ASN A 1 -10.039 8.989 -2.148 1.00 0.00 H +ATOM 16 HD22 ASN A 1 -10.843 9.380 -0.632 1.00 0.00 H +ATOM 17 N LEU A 2 -5.683 5.360 -1.308 1.00 0.00 N +ATOM 18 CA LEU A 2 -4.939 4.305 -2.022 1.00 0.00 C +ATOM 19 C LEU A 2 -4.268 3.260 -1.097 1.00 0.00 C +ATOM 20 O LEU A 2 -3.716 2.270 -1.573 1.00 0.00 O +ATOM 21 CB LEU A 2 -3.943 4.985 -2.983 1.00 0.00 C +ATOM 22 CG LEU A 2 -3.510 4.134 -4.197 1.00 0.00 C +ATOM 23 CD1 LEU A 2 -4.689 3.815 -5.127 1.00 0.00 C +ATOM 24 CD2 LEU A 2 -2.467 4.910 -5.004 1.00 0.00 C +ATOM 25 H LEU A 2 -5.289 6.289 -1.343 1.00 0.00 H +ATOM 26 HA LEU A 2 -5.665 3.756 -2.620 1.00 0.00 H +ATOM 27 HB2 LEU A 2 -4.400 5.882 -3.353 1.00 0.00 H +ATOM 28 HB3 LEU A 2 -3.059 5.272 -2.417 1.00 0.00 H +ATOM 29 HG LEU A 2 -3.055 3.203 -3.864 1.00 0.00 H +ATOM 30 HD11 LEU A 2 -5.375 3.120 -4.648 1.00 0.00 H +ATOM 31 HD12 LEU A 2 -5.221 4.730 -5.390 1.00 0.00 H +ATOM 32 HD13 LEU A 2 -4.321 3.345 -6.040 1.00 0.00 H +ATOM 33 HD21 LEU A 2 -2.887 5.852 -5.359 1.00 0.00 H +ATOM 34 HD22 LEU A 2 -1.596 5.115 -4.384 1.00 0.00 H +ATOM 35 HD23 LEU A 2 -2.147 4.317 -5.861 1.00 0.00 H +ATOM 36 N TYR A 3 -4.340 3.443 0.228 1.00 0.00 N +ATOM 37 CA TYR A 3 -3.683 2.595 1.228 1.00 0.00 C +ATOM 38 C TYR A 3 -4.096 1.115 1.160 1.00 0.00 C +ATOM 39 O TYR A 3 -3.266 0.248 1.427 1.00 0.00 O +ATOM 40 CB TYR A 3 -3.925 3.179 2.630 1.00 0.00 C +ATOM 41 CG TYR A 3 -2.760 2.970 3.580 1.00 0.00 C +ATOM 42 CD1 TYR A 3 -1.680 3.874 3.561 1.00 0.00 C +ATOM 43 CD2 TYR A 3 -2.753 1.884 4.475 1.00 0.00 C +ATOM 44 CE1 TYR A 3 -0.588 3.691 4.430 1.00 0.00 C +ATOM 45 CE2 TYR A 3 -1.662 1.698 5.348 1.00 0.00 C +ATOM 46 CZ TYR A 3 -0.577 2.599 5.325 1.00 0.00 C +ATOM 47 OH TYR A 3 0.476 2.408 6.162 1.00 0.00 O +ATOM 48 H TYR A 3 -4.813 4.268 0.548 1.00 0.00 H +ATOM 49 HA TYR A 3 -2.609 2.637 1.035 1.00 0.00 H +ATOM 50 HB2 TYR A 3 -4.100 4.233 2.534 1.00 0.00 H +ATOM 51 HB3 TYR A 3 -4.832 2.746 3.057 1.00 0.00 H +ATOM 52 HD1 TYR A 3 -1.686 4.718 2.886 1.00 0.00 H +ATOM 53 HD2 TYR A 3 -3.582 1.193 4.494 1.00 0.00 H +ATOM 54 HE1 TYR A 3 0.229 4.396 4.422 1.00 0.00 H +ATOM 55 HE2 TYR A 3 -1.639 0.873 6.042 1.00 0.00 H +ATOM 56 HH TYR A 3 1.215 2.981 5.950 1.00 0.00 H +ATOM 57 N ILE A 4 -5.333 0.810 0.732 1.00 0.00 N +ATOM 58 CA ILE A 4 -5.790 -0.565 0.464 1.00 0.00 C +ATOM 59 C ILE A 4 -4.909 -1.223 -0.610 1.00 0.00 C +ATOM 60 O ILE A 4 -4.439 -2.342 -0.417 1.00 0.00 O +ATOM 61 CB ILE A 4 -7.285 -0.604 0.049 1.00 0.00 C +ATOM 62 CG1 ILE A 4 -8.234 0.069 1.074 1.00 0.00 C +ATOM 63 CG2 ILE A 4 -7.764 -2.056 -0.139 1.00 0.00 C +ATOM 64 CD1 ILE A 4 -8.662 1.477 0.657 1.00 0.00 C +ATOM 65 H ILE A 4 -5.959 1.576 0.529 1.00 0.00 H +ATOM 66 HA ILE A 4 -5.679 -1.148 1.381 1.00 0.00 H +ATOM 67 HB ILE A 4 -7.388 -0.102 -0.916 1.00 0.00 H +ATOM 68 HG12 ILE A 4 -9.112 -0.539 1.177 1.00 0.00 H +ATOM 69 HG13 ILE A 4 -7.760 0.113 2.055 1.00 0.00 H +ATOM 70 HG21 ILE A 4 -7.127 -2.599 -0.836 1.00 0.00 H +ATOM 71 HG22 ILE A 4 -7.772 -2.577 0.819 1.00 0.00 H +ATOM 72 HG23 ILE A 4 -8.776 -2.054 -0.550 1.00 0.00 H +ATOM 73 HD11 ILE A 4 -7.813 2.149 0.745 1.00 0.00 H +ATOM 74 HD12 ILE A 4 -9.034 1.472 -0.368 1.00 0.00 H +ATOM 75 HD13 ILE A 4 -9.458 1.827 1.316 1.00 0.00 H +ATOM 76 N GLN A 5 -4.664 -0.521 -1.727 1.00 0.00 N +ATOM 77 CA GLN A 5 -3.843 -0.981 -2.852 1.00 0.00 C +ATOM 78 C GLN A 5 -2.374 -1.203 -2.455 1.00 0.00 C +ATOM 79 O GLN A 5 -1.735 -2.102 -2.996 1.00 0.00 O +ATOM 80 CB GLN A 5 -3.966 0.016 -4.026 1.00 0.00 C +ATOM 81 CG GLN A 5 -4.731 -0.540 -5.248 1.00 0.00 C +ATOM 82 CD GLN A 5 -3.839 -0.991 -6.408 1.00 0.00 C +ATOM 83 OE1 GLN A 5 -2.801 -0.426 -6.704 1.00 0.00 O +ATOM 84 NE2 GLN A 5 -4.226 -2.006 -7.158 1.00 0.00 N +ATOM 85 H GLN A 5 -4.986 0.437 -1.755 1.00 0.00 H +ATOM 86 HA GLN A 5 -4.229 -1.945 -3.174 1.00 0.00 H +ATOM 87 HB2 GLN A 5 -4.481 0.889 -3.674 1.00 0.00 H +ATOM 88 HB3 GLN A 5 -2.974 0.357 -4.328 1.00 0.00 H +ATOM 89 HG2 GLN A 5 -5.311 -1.383 -4.925 1.00 0.00 H +ATOM 90 HG3 GLN A 5 -5.374 0.252 -5.631 1.00 0.00 H +ATOM 91 HE21 GLN A 5 -5.133 -2.431 -7.060 1.00 0.00 H +ATOM 92 HE22 GLN A 5 -3.683 -2.060 -8.004 1.00 0.00 H +ATOM 93 N TRP A 6 -1.859 -0.430 -1.488 1.00 0.00 N +ATOM 94 CA TRP A 6 -0.534 -0.641 -0.897 1.00 0.00 C +ATOM 95 C TRP A 6 -0.505 -1.815 0.100 1.00 0.00 C +ATOM 96 O TRP A 6 0.412 -2.635 0.060 1.00 0.00 O +ATOM 97 CB TRP A 6 -0.068 0.666 -0.245 1.00 0.00 C +ATOM 98 CG TRP A 6 1.303 0.611 0.356 1.00 0.00 C +ATOM 99 CD1 TRP A 6 2.468 0.703 -0.325 1.00 0.00 C +ATOM 100 CD2 TRP A 6 1.674 0.434 1.758 1.00 0.00 C +ATOM 101 NE1 TRP A 6 3.528 0.564 0.550 1.00 0.00 N +ATOM 102 CE2 TRP A 6 3.097 0.425 1.849 1.00 0.00 C +ATOM 103 CE3 TRP A 6 0.953 0.284 2.960 1.00 0.00 C +ATOM 104 CZ2 TRP A 6 3.775 0.299 3.069 1.00 0.00 C +ATOM 105 CZ3 TRP A 6 1.622 0.134 4.190 1.00 0.00 C +ATOM 106 CH2 TRP A 6 3.026 0.159 4.250 1.00 0.00 C +ATOM 107 H TRP A 6 -2.448 0.312 -1.131 1.00 0.00 H +ATOM 108 HA TRP A 6 0.169 -0.885 -1.694 1.00 0.00 H +ATOM 109 HB2 TRP A 6 -0.074 1.434 -0.994 1.00 0.00 H +ATOM 110 HB3 TRP A 6 -0.776 0.954 0.532 1.00 0.00 H +ATOM 111 HD1 TRP A 6 2.556 0.855 -1.394 1.00 0.00 H +ATOM 112 HE1 TRP A 6 4.512 0.575 0.270 1.00 0.00 H +ATOM 113 HE3 TRP A 6 -0.126 0.291 2.931 1.00 0.00 H +ATOM 114 HZ2 TRP A 6 4.854 0.309 3.090 1.00 0.00 H +ATOM 115 HZ3 TRP A 6 1.050 0.016 5.100 1.00 0.00 H +ATOM 116 HH2 TRP A 6 3.527 0.067 5.203 1.00 0.00 H +ATOM 117 N LEU A 7 -1.510 -1.935 0.978 1.00 0.00 N +ATOM 118 CA LEU A 7 -1.599 -3.048 1.926 1.00 0.00 C +ATOM 119 C LEU A 7 -1.809 -4.403 1.239 1.00 0.00 C +ATOM 120 O LEU A 7 -1.124 -5.355 1.613 1.00 0.00 O +ATOM 121 CB LEU A 7 -2.699 -2.798 2.974 1.00 0.00 C +ATOM 122 CG LEU A 7 -2.286 -1.852 4.119 1.00 0.00 C +ATOM 123 CD1 LEU A 7 -3.491 -1.640 5.038 1.00 0.00 C +ATOM 124 CD2 LEU A 7 -1.140 -2.415 4.972 1.00 0.00 C +ATOM 125 H LEU A 7 -2.224 -1.210 1.007 1.00 0.00 H +ATOM 126 HA LEU A 7 -0.640 -3.131 2.434 1.00 0.00 H +ATOM 127 HB2 LEU A 7 -3.547 -2.370 2.475 1.00 0.00 H +ATOM 128 HB3 LEU A 7 -2.977 -3.755 3.419 1.00 0.00 H +ATOM 129 HG LEU A 7 -1.983 -0.891 3.707 1.00 0.00 H +ATOM 130 HD11 LEU A 7 -4.312 -1.199 4.473 1.00 0.00 H +ATOM 131 HD12 LEU A 7 -3.814 -2.592 5.458 1.00 0.00 H +ATOM 132 HD13 LEU A 7 -3.224 -0.969 5.855 1.00 0.00 H +ATOM 133 HD21 LEU A 7 -1.389 -3.418 5.318 1.00 0.00 H +ATOM 134 HD22 LEU A 7 -0.217 -2.452 4.397 1.00 0.00 H +ATOM 135 HD23 LEU A 7 -0.968 -1.773 5.834 1.00 0.00 H +ATOM 136 N LYS A 8 -2.697 -4.510 0.235 1.00 0.00 N +ATOM 137 CA LYS A 8 -2.957 -5.783 -0.469 1.00 0.00 C +ATOM 138 C LYS A 8 -1.729 -6.374 -1.170 1.00 0.00 C +ATOM 139 O LYS A 8 -1.710 -7.566 -1.460 1.00 0.00 O +ATOM 140 CB LYS A 8 -4.168 -5.663 -1.419 1.00 0.00 C +ATOM 141 CG LYS A 8 -4.006 -4.746 -2.644 1.00 0.00 C +ATOM 142 CD LYS A 8 -3.193 -5.323 -3.812 1.00 0.00 C +ATOM 143 CE LYS A 8 -3.386 -4.457 -5.061 1.00 0.00 C +ATOM 144 NZ LYS A 8 -2.231 -4.566 -5.977 1.00 0.00 N +ATOM 145 H LYS A 8 -3.247 -3.686 -0.007 1.00 0.00 H +ATOM 146 HA LYS A 8 -3.228 -6.519 0.290 1.00 0.00 H +ATOM 147 HB2 LYS A 8 -4.396 -6.648 -1.779 1.00 0.00 H +ATOM 148 HB3 LYS A 8 -5.007 -5.283 -0.833 1.00 0.00 H +ATOM 149 HG2 LYS A 8 -4.987 -4.511 -3.011 1.00 0.00 H +ATOM 150 HG3 LYS A 8 -3.534 -3.825 -2.321 1.00 0.00 H +ATOM 151 HD2 LYS A 8 -2.153 -5.339 -3.548 1.00 0.00 H +ATOM 152 HD3 LYS A 8 -3.497 -6.350 -4.023 1.00 0.00 H +ATOM 153 HE2 LYS A 8 -4.271 -4.779 -5.575 1.00 0.00 H +ATOM 154 HE3 LYS A 8 -3.483 -3.417 -4.746 1.00 0.00 H +ATOM 155 HZ1 LYS A 8 -1.362 -4.377 -5.451 1.00 0.00 H +ATOM 156 HZ2 LYS A 8 -2.123 -5.504 -6.333 1.00 0.00 H +ATOM 157 HZ3 LYS A 8 -2.292 -3.898 -6.731 1.00 0.00 H +ATOM 158 N ASP A 9 -0.707 -5.552 -1.426 1.00 0.00 N +ATOM 159 CA ASP A 9 0.589 -5.960 -1.966 1.00 0.00 C +ATOM 160 C ASP A 9 1.516 -6.588 -0.906 1.00 0.00 C +ATOM 161 O ASP A 9 2.485 -7.250 -1.274 1.00 0.00 O +ATOM 162 CB ASP A 9 1.253 -4.722 -2.594 1.00 0.00 C +ATOM 163 CG ASP A 9 1.159 -4.718 -4.115 1.00 0.00 C +ATOM 164 OD1 ASP A 9 0.038 -4.607 -4.656 1.00 0.00 O +ATOM 165 OD2 ASP A 9 2.240 -4.782 -4.738 1.00 0.00 O +ATOM 166 H ASP A 9 -0.829 -4.576 -1.196 1.00 0.00 H +ATOM 167 HA ASP A 9 0.438 -6.713 -2.742 1.00 0.00 H +ATOM 168 HB2 ASP A 9 0.768 -3.843 -2.217 1.00 0.00 H +ATOM 169 HB3 ASP A 9 2.307 -4.701 -2.323 1.00 0.00 H +ATOM 170 N GLY A 10 1.212 -6.406 0.389 1.00 0.00 N +ATOM 171 CA GLY A 10 2.037 -6.837 1.523 1.00 0.00 C +ATOM 172 C GLY A 10 2.524 -5.698 2.431 1.00 0.00 C +ATOM 173 O GLY A 10 3.335 -5.946 3.326 1.00 0.00 O +ATOM 174 H GLY A 10 0.334 -5.944 0.606 1.00 0.00 H +ATOM 175 HA2 GLY A 10 1.452 -7.525 2.133 1.00 0.00 H +ATOM 176 HA3 GLY A 10 2.916 -7.372 1.161 1.00 0.00 H +ATOM 177 N GLY A 11 2.079 -4.450 2.212 1.00 0.00 N +ATOM 178 CA GLY A 11 2.527 -3.280 2.968 1.00 0.00 C +ATOM 179 C GLY A 11 4.060 -3.125 2.939 1.00 0.00 C +ATOM 180 O GLY A 11 4.630 -3.169 1.842 1.00 0.00 O +ATOM 181 H GLY A 11 1.473 -4.294 1.414 1.00 0.00 H +ATOM 182 HA2 GLY A 11 2.088 -2.385 2.527 1.00 0.00 H +ATOM 183 HA3 GLY A 11 2.161 -3.373 3.989 1.00 0.00 H +ATOM 184 N PRO A 12 4.753 -2.971 4.089 1.00 0.00 N +ATOM 185 CA PRO A 12 6.211 -2.791 4.140 1.00 0.00 C +ATOM 186 C PRO A 12 7.014 -3.874 3.403 1.00 0.00 C +ATOM 187 O PRO A 12 8.041 -3.574 2.797 1.00 0.00 O +ATOM 188 CB PRO A 12 6.582 -2.768 5.628 1.00 0.00 C +ATOM 189 CG PRO A 12 5.287 -2.370 6.329 1.00 0.00 C +ATOM 190 CD PRO A 12 4.205 -2.974 5.438 1.00 0.00 C +ATOM 191 HA PRO A 12 6.452 -1.822 3.699 1.00 0.00 H +ATOM 192 HB2 PRO A 12 6.909 -3.736 5.954 1.00 0.00 H +ATOM 193 HB3 PRO A 12 7.381 -2.053 5.830 1.00 0.00 H +ATOM 194 HG2 PRO A 12 5.244 -2.782 7.319 1.00 0.00 H +ATOM 195 HG3 PRO A 12 5.193 -1.282 6.336 1.00 0.00 H +ATOM 196 HD2 PRO A 12 3.982 -3.977 5.748 1.00 0.00 H +ATOM 197 HD3 PRO A 12 3.295 -2.381 5.511 1.00 0.00 H +ATOM 198 N SER A 13 6.533 -5.123 3.409 1.00 0.00 N +ATOM 199 CA SER A 13 7.187 -6.275 2.772 1.00 0.00 C +ATOM 200 C SER A 13 7.064 -6.297 1.237 1.00 0.00 C +ATOM 201 O SER A 13 7.472 -7.272 0.612 1.00 0.00 O +ATOM 202 CB SER A 13 6.637 -7.571 3.386 1.00 0.00 C +ATOM 203 OG SER A 13 6.985 -7.634 4.757 1.00 0.00 O +ATOM 204 H SER A 13 5.655 -5.302 3.884 1.00 0.00 H +ATOM 205 HA SER A 13 8.253 -6.230 2.991 1.00 0.00 H +ATOM 206 HB2 SER A 13 5.569 -7.587 3.288 1.00 0.00 H +ATOM 207 HB3 SER A 13 7.058 -8.437 2.875 1.00 0.00 H +ATOM 208 HG SER A 13 7.938 -7.738 4.830 1.00 0.00 H +ATOM 209 N SER A 14 6.524 -5.234 0.624 1.00 0.00 N +ATOM 210 CA SER A 14 6.244 -5.155 -0.818 1.00 0.00 C +ATOM 211 C SER A 14 7.352 -4.486 -1.642 1.00 0.00 C +ATOM 212 O SER A 14 7.292 -4.512 -2.869 1.00 0.00 O +ATOM 213 CB SER A 14 4.956 -4.361 -1.069 1.00 0.00 C +ATOM 214 OG SER A 14 3.953 -4.634 -0.126 1.00 0.00 O +ATOM 215 H SER A 14 6.200 -4.481 1.217 1.00 0.00 H +ATOM 216 HA SER A 14 6.093 -6.164 -1.206 1.00 0.00 H +ATOM 217 HB2 SER A 14 5.186 -3.314 -1.030 1.00 0.00 H +ATOM 218 HB3 SER A 14 4.589 -4.586 -2.070 1.00 0.00 H +ATOM 219 HG SER A 14 4.150 -4.078 0.666 1.00 0.00 H +ATOM 220 N GLY A 15 8.336 -3.840 -0.998 1.00 0.00 N +ATOM 221 CA GLY A 15 9.395 -3.094 -1.693 1.00 0.00 C +ATOM 222 C GLY A 15 8.943 -1.756 -2.301 1.00 0.00 C +ATOM 223 O GLY A 15 9.512 -1.327 -3.303 1.00 0.00 O +ATOM 224 H GLY A 15 8.352 -3.897 0.012 1.00 0.00 H +ATOM 225 HA2 GLY A 15 10.206 -2.893 -0.996 1.00 0.00 H +ATOM 226 HA3 GLY A 15 9.795 -3.712 -2.500 1.00 0.00 H +ATOM 227 N ARG A 16 7.916 -1.105 -1.732 1.00 0.00 N +ATOM 228 CA ARG A 16 7.364 0.181 -2.198 1.00 0.00 C +ATOM 229 C ARG A 16 6.867 1.046 -1.024 1.00 0.00 C +ATOM 230 O ARG A 16 6.262 0.497 -0.098 1.00 0.00 O +ATOM 231 CB ARG A 16 6.251 -0.057 -3.241 1.00 0.00 C +ATOM 232 CG ARG A 16 5.161 -1.058 -2.811 1.00 0.00 C +ATOM 233 CD ARG A 16 4.134 -1.346 -3.924 1.00 0.00 C +ATOM 234 NE ARG A 16 4.103 -2.766 -4.336 1.00 0.00 N +ATOM 235 CZ ARG A 16 5.054 -3.492 -4.909 1.00 0.00 C +ATOM 236 NH1 ARG A 16 6.220 -2.996 -5.246 1.00 0.00 N +ATOM 237 NH2 ARG A 16 4.821 -4.753 -5.163 1.00 0.00 N +ATOM 238 H ARG A 16 7.511 -1.511 -0.898 1.00 0.00 H +ATOM 239 HA ARG A 16 8.172 0.718 -2.695 1.00 0.00 H +ATOM 240 HB2 ARG A 16 5.778 0.884 -3.444 1.00 0.00 H +ATOM 241 HB3 ARG A 16 6.725 -0.430 -4.149 1.00 0.00 H +ATOM 242 HG2 ARG A 16 5.634 -1.981 -2.535 1.00 0.00 H +ATOM 243 HG3 ARG A 16 4.637 -0.670 -1.938 1.00 0.00 H +ATOM 244 HD2 ARG A 16 3.159 -1.073 -3.568 1.00 0.00 H +ATOM 245 HD3 ARG A 16 4.340 -0.723 -4.795 1.00 0.00 H +ATOM 246 HE ARG A 16 3.238 -3.299 -4.232 1.00 0.00 H +ATOM 247 HH11 ARG A 16 6.407 -2.037 -5.038 1.00 0.00 H +ATOM 248 HH12 ARG A 16 6.943 -3.615 -5.560 1.00 0.00 H +ATOM 249 HH21 ARG A 16 3.839 -5.043 -5.009 1.00 0.00 H +ATOM 250 HH22 ARG A 16 5.505 -5.381 -5.529 1.00 0.00 H +ATOM 251 N PRO A 17 7.083 2.378 -1.045 1.00 0.00 N +ATOM 252 CA PRO A 17 6.638 3.277 0.023 1.00 0.00 C +ATOM 253 C PRO A 17 5.104 3.442 0.035 1.00 0.00 C +ATOM 254 O PRO A 17 4.455 3.170 -0.978 1.00 0.00 O +ATOM 255 CB PRO A 17 7.343 4.610 -0.260 1.00 0.00 C +ATOM 256 CG PRO A 17 7.496 4.611 -1.779 1.00 0.00 C +ATOM 257 CD PRO A 17 7.741 3.138 -2.101 1.00 0.00 C +ATOM 258 HA PRO A 17 6.968 2.888 0.986 1.00 0.00 H +ATOM 259 HB2 PRO A 17 6.744 5.438 0.067 1.00 0.00 H +ATOM 260 HB3 PRO A 17 8.332 4.604 0.204 1.00 0.00 H +ATOM 261 HG2 PRO A 17 6.603 4.967 -2.256 1.00 0.00 H +ATOM 262 HG3 PRO A 17 8.328 5.240 -2.103 1.00 0.00 H +ATOM 263 HD2 PRO A 17 7.319 2.890 -3.056 1.00 0.00 H +ATOM 264 HD3 PRO A 17 8.812 2.932 -2.083 1.00 0.00 H +ATOM 265 N PRO A 18 4.512 3.890 1.161 1.00 0.00 N +ATOM 266 CA PRO A 18 3.074 4.111 1.260 1.00 0.00 C +ATOM 267 C PRO A 18 2.616 5.335 0.440 1.00 0.00 C +ATOM 268 O PRO A 18 3.395 6.265 0.230 1.00 0.00 O +ATOM 269 CB PRO A 18 2.796 4.301 2.754 1.00 0.00 C +ATOM 270 CG PRO A 18 4.105 4.879 3.287 1.00 0.00 C +ATOM 271 CD PRO A 18 5.162 4.183 2.431 1.00 0.00 C +ATOM 272 HA PRO A 18 2.556 3.220 0.910 1.00 0.00 H +ATOM 273 HB2 PRO A 18 1.983 4.984 2.910 1.00 0.00 H +ATOM 274 HB3 PRO A 18 2.610 3.329 3.214 1.00 0.00 H +ATOM 275 HG2 PRO A 18 4.140 5.943 3.153 1.00 0.00 H +ATOM 276 HG3 PRO A 18 4.240 4.666 4.348 1.00 0.00 H +ATOM 277 HD2 PRO A 18 6.005 4.829 2.279 1.00 0.00 H +ATOM 278 HD3 PRO A 18 5.463 3.249 2.906 1.00 0.00 H +ATOM 279 N PRO A 19 1.341 5.370 0.004 1.00 0.00 N +ATOM 280 CA PRO A 19 0.777 6.481 -0.754 1.00 0.00 C +ATOM 281 C PRO A 19 0.447 7.673 0.157 1.00 0.00 C +ATOM 282 O PRO A 19 -0.482 7.605 0.965 1.00 0.00 O +ATOM 283 CB PRO A 19 -0.466 5.904 -1.437 1.00 0.00 C +ATOM 284 CG PRO A 19 -0.933 4.811 -0.475 1.00 0.00 C +ATOM 285 CD PRO A 19 0.371 4.292 0.127 1.00 0.00 C +ATOM 286 HA PRO A 19 1.481 6.804 -1.523 1.00 0.00 H +ATOM 287 HB2 PRO A 19 -1.221 6.657 -1.557 1.00 0.00 H +ATOM 288 HB3 PRO A 19 -0.172 5.448 -2.384 1.00 0.00 H +ATOM 289 HG2 PRO A 19 -1.573 5.216 0.285 1.00 0.00 H +ATOM 290 HG3 PRO A 19 -1.468 4.019 -0.996 1.00 0.00 H +ATOM 291 HD2 PRO A 19 0.227 4.038 1.160 1.00 0.00 H +ATOM 292 HD3 PRO A 19 0.725 3.441 -0.450 1.00 0.00 H +ATOM 293 N SER A 20 1.209 8.762 0.004 1.00 0.00 N +ATOM 294 CA SER A 20 1.059 10.038 0.716 1.00 0.00 C +ATOM 295 C SER A 20 1.217 11.216 -0.248 1.00 0.00 C +ATOM 296 O SER A 20 2.389 11.403 -0.664 1.00 0.00 O +ATOM 297 CB SER A 20 2.098 10.115 1.845 1.00 0.00 C +ATOM 298 OG SER A 20 3.359 10.263 1.230 1.00 0.00 O +ATOM 299 OXT SER A 20 0.202 11.886 -0.520 1.00 0.00 O +ATOM 300 H SER A 20 1.991 8.709 -0.634 1.00 0.00 H +ATOM 301 HA SER A 20 0.060 10.107 1.146 1.00 0.00 H +ATOM 302 HB2 SER A 20 1.894 10.958 2.477 1.00 0.00 H +ATOM 303 HB3 SER A 20 2.070 9.211 2.456 1.00 0.00 H +ATOM 304 HG SER A 20 3.120 10.769 0.374 1.00 0.00 H +TER 305 SER A 20 +ENDMDL +MODEL 11 +ATOM 1 N ASN A 1 -6.688 7.436 -0.473 1.00 0.00 N +ATOM 2 CA ASN A 1 -7.529 6.238 -0.712 1.00 0.00 C +ATOM 3 C ASN A 1 -6.749 5.006 -1.210 1.00 0.00 C +ATOM 4 O ASN A 1 -7.279 3.906 -1.158 1.00 0.00 O +ATOM 5 CB ASN A 1 -8.713 6.573 -1.639 1.00 0.00 C +ATOM 6 CG ASN A 1 -9.880 5.632 -1.366 1.00 0.00 C +ATOM 7 OD1 ASN A 1 -10.413 5.629 -0.269 1.00 0.00 O +ATOM 8 ND2 ASN A 1 -10.300 4.816 -2.315 1.00 0.00 N +ATOM 9 H1 ASN A 1 -5.936 7.221 0.168 1.00 0.00 H +ATOM 10 H2 ASN A 1 -6.305 7.780 -1.344 1.00 0.00 H +ATOM 11 H3 ASN A 1 -7.252 8.169 -0.065 1.00 0.00 H +ATOM 12 HA ASN A 1 -7.963 5.944 0.246 1.00 0.00 H +ATOM 13 HB2 ASN A 1 -9.025 7.584 -1.463 1.00 0.00 H +ATOM 14 HB3 ASN A 1 -8.412 6.523 -2.686 1.00 0.00 H +ATOM 15 HD21 ASN A 1 -9.869 4.743 -3.220 1.00 0.00 H +ATOM 16 HD22 ASN A 1 -11.067 4.224 -2.039 1.00 0.00 H +ATOM 17 N LEU A 2 -5.494 5.147 -1.665 1.00 0.00 N +ATOM 18 CA LEU A 2 -4.691 4.051 -2.237 1.00 0.00 C +ATOM 19 C LEU A 2 -4.046 3.125 -1.181 1.00 0.00 C +ATOM 20 O LEU A 2 -3.429 2.120 -1.531 1.00 0.00 O +ATOM 21 CB LEU A 2 -3.615 4.692 -3.131 1.00 0.00 C +ATOM 22 CG LEU A 2 -4.196 5.327 -4.413 1.00 0.00 C +ATOM 23 CD1 LEU A 2 -3.432 6.605 -4.768 1.00 0.00 C +ATOM 24 CD2 LEU A 2 -4.134 4.351 -5.589 1.00 0.00 C +ATOM 25 H LEU A 2 -5.038 6.044 -1.695 1.00 0.00 H +ATOM 26 HA LEU A 2 -5.328 3.419 -2.859 1.00 0.00 H +ATOM 27 HB2 LEU A 2 -3.113 5.455 -2.568 1.00 0.00 H +ATOM 28 HB3 LEU A 2 -2.872 3.942 -3.409 1.00 0.00 H +ATOM 29 HG LEU A 2 -5.238 5.607 -4.254 1.00 0.00 H +ATOM 30 HD11 LEU A 2 -3.529 7.331 -3.961 1.00 0.00 H +ATOM 31 HD12 LEU A 2 -2.377 6.382 -4.926 1.00 0.00 H +ATOM 32 HD13 LEU A 2 -3.850 7.041 -5.676 1.00 0.00 H +ATOM 33 HD21 LEU A 2 -3.107 4.029 -5.760 1.00 0.00 H +ATOM 34 HD22 LEU A 2 -4.756 3.481 -5.378 1.00 0.00 H +ATOM 35 HD23 LEU A 2 -4.508 4.834 -6.491 1.00 0.00 H +ATOM 36 N TYR A 3 -4.195 3.445 0.111 1.00 0.00 N +ATOM 37 CA TYR A 3 -3.594 2.700 1.221 1.00 0.00 C +ATOM 38 C TYR A 3 -4.029 1.227 1.239 1.00 0.00 C +ATOM 39 O TYR A 3 -3.224 0.352 1.545 1.00 0.00 O +ATOM 40 CB TYR A 3 -3.934 3.395 2.550 1.00 0.00 C +ATOM 41 CG TYR A 3 -2.766 3.426 3.514 1.00 0.00 C +ATOM 42 CD1 TYR A 3 -2.442 2.278 4.260 1.00 0.00 C +ATOM 43 CD2 TYR A 3 -1.987 4.594 3.643 1.00 0.00 C +ATOM 44 CE1 TYR A 3 -1.344 2.291 5.138 1.00 0.00 C +ATOM 45 CE2 TYR A 3 -0.891 4.614 4.527 1.00 0.00 C +ATOM 46 CZ TYR A 3 -0.566 3.461 5.272 1.00 0.00 C +ATOM 47 OH TYR A 3 0.481 3.472 6.138 1.00 0.00 O +ATOM 48 H TYR A 3 -4.719 4.274 0.329 1.00 0.00 H +ATOM 49 HA TYR A 3 -2.512 2.721 1.090 1.00 0.00 H +ATOM 50 HB2 TYR A 3 -4.233 4.404 2.342 1.00 0.00 H +ATOM 51 HB3 TYR A 3 -4.777 2.889 3.026 1.00 0.00 H +ATOM 52 HD1 TYR A 3 -3.039 1.385 4.148 1.00 0.00 H +ATOM 53 HD2 TYR A 3 -2.219 5.478 3.065 1.00 0.00 H +ATOM 54 HE1 TYR A 3 -1.086 1.416 5.715 1.00 0.00 H +ATOM 55 HE2 TYR A 3 -0.292 5.509 4.627 1.00 0.00 H +ATOM 56 HH TYR A 3 0.250 3.913 6.958 1.00 0.00 H +ATOM 57 N ILE A 4 -5.286 0.955 0.858 1.00 0.00 N +ATOM 58 CA ILE A 4 -5.847 -0.393 0.739 1.00 0.00 C +ATOM 59 C ILE A 4 -5.076 -1.179 -0.327 1.00 0.00 C +ATOM 60 O ILE A 4 -4.596 -2.269 -0.040 1.00 0.00 O +ATOM 61 CB ILE A 4 -7.361 -0.341 0.420 1.00 0.00 C +ATOM 62 CG1 ILE A 4 -8.160 0.545 1.415 1.00 0.00 C +ATOM 63 CG2 ILE A 4 -7.962 -1.760 0.413 1.00 0.00 C +ATOM 64 CD1 ILE A 4 -9.201 1.423 0.710 1.00 0.00 C +ATOM 65 H ILE A 4 -5.875 1.740 0.624 1.00 0.00 H +ATOM 66 HA ILE A 4 -5.714 -0.910 1.692 1.00 0.00 H +ATOM 67 HB ILE A 4 -7.471 0.071 -0.583 1.00 0.00 H +ATOM 68 HG12 ILE A 4 -8.664 -0.092 2.116 1.00 0.00 H +ATOM 69 HG13 ILE A 4 -7.498 1.210 1.968 1.00 0.00 H +ATOM 70 HG21 ILE A 4 -7.462 -2.390 -0.323 1.00 0.00 H +ATOM 71 HG22 ILE A 4 -7.853 -2.219 1.398 1.00 0.00 H +ATOM 72 HG23 ILE A 4 -9.022 -1.713 0.159 1.00 0.00 H +ATOM 73 HD11 ILE A 4 -8.755 1.914 -0.157 1.00 0.00 H +ATOM 74 HD12 ILE A 4 -10.046 0.816 0.386 1.00 0.00 H +ATOM 75 HD13 ILE A 4 -9.552 2.192 1.399 1.00 0.00 H +ATOM 76 N GLN A 5 -4.908 -0.611 -1.532 1.00 0.00 N +ATOM 77 CA GLN A 5 -4.116 -1.188 -2.627 1.00 0.00 C +ATOM 78 C GLN A 5 -2.676 -1.485 -2.194 1.00 0.00 C +ATOM 79 O GLN A 5 -2.183 -2.586 -2.432 1.00 0.00 O +ATOM 80 CB GLN A 5 -4.133 -0.239 -3.843 1.00 0.00 C +ATOM 81 CG GLN A 5 -5.217 -0.612 -4.859 1.00 0.00 C +ATOM 82 CD GLN A 5 -5.369 0.472 -5.923 1.00 0.00 C +ATOM 83 OE1 GLN A 5 -6.272 1.289 -5.876 1.00 0.00 O +ATOM 84 NE2 GLN A 5 -4.484 0.535 -6.899 1.00 0.00 N +ATOM 85 H GLN A 5 -5.264 0.324 -1.655 1.00 0.00 H +ATOM 86 HA GLN A 5 -4.559 -2.141 -2.917 1.00 0.00 H +ATOM 87 HB2 GLN A 5 -4.314 0.761 -3.498 1.00 0.00 H +ATOM 88 HB3 GLN A 5 -3.168 -0.273 -4.350 1.00 0.00 H +ATOM 89 HG2 GLN A 5 -4.948 -1.535 -5.335 1.00 0.00 H +ATOM 90 HG3 GLN A 5 -6.173 -0.735 -4.347 1.00 0.00 H +ATOM 91 HE21 GLN A 5 -3.716 -0.109 -6.984 1.00 0.00 H +ATOM 92 HE22 GLN A 5 -4.657 1.272 -7.562 1.00 0.00 H +ATOM 93 N TRP A 6 -2.015 -0.526 -1.535 1.00 0.00 N +ATOM 94 CA TRP A 6 -0.661 -0.714 -1.009 1.00 0.00 C +ATOM 95 C TRP A 6 -0.581 -1.833 0.042 1.00 0.00 C +ATOM 96 O TRP A 6 0.287 -2.706 -0.046 1.00 0.00 O +ATOM 97 CB TRP A 6 -0.147 0.614 -0.453 1.00 0.00 C +ATOM 98 CG TRP A 6 1.240 0.540 0.100 1.00 0.00 C +ATOM 99 CD1 TRP A 6 2.369 0.426 -0.635 1.00 0.00 C +ATOM 100 CD2 TRP A 6 1.668 0.524 1.498 1.00 0.00 C +ATOM 101 NE1 TRP A 6 3.457 0.329 0.207 1.00 0.00 N +ATOM 102 CE2 TRP A 6 3.087 0.401 1.528 1.00 0.00 C +ATOM 103 CE3 TRP A 6 1.008 0.607 2.744 1.00 0.00 C +ATOM 104 CZ2 TRP A 6 3.824 0.375 2.719 1.00 0.00 C +ATOM 105 CZ3 TRP A 6 1.737 0.578 3.950 1.00 0.00 C +ATOM 106 CH2 TRP A 6 3.140 0.468 3.941 1.00 0.00 C +ATOM 107 H TRP A 6 -2.482 0.369 -1.404 1.00 0.00 H +ATOM 108 HA TRP A 6 -0.009 -1.011 -1.832 1.00 0.00 H +ATOM 109 HB2 TRP A 6 -0.158 1.339 -1.244 1.00 0.00 H +ATOM 110 HB3 TRP A 6 -0.819 0.959 0.333 1.00 0.00 H +ATOM 111 HD1 TRP A 6 2.409 0.399 -1.716 1.00 0.00 H +ATOM 112 HE1 TRP A 6 4.432 0.245 -0.091 1.00 0.00 H +ATOM 113 HE3 TRP A 6 -0.065 0.714 2.764 1.00 0.00 H +ATOM 114 HZ2 TRP A 6 4.901 0.285 2.682 1.00 0.00 H +ATOM 115 HZ3 TRP A 6 1.222 0.668 4.895 1.00 0.00 H +ATOM 116 HH2 TRP A 6 3.687 0.462 4.872 1.00 0.00 H +ATOM 117 N LEU A 7 -1.500 -1.852 1.018 1.00 0.00 N +ATOM 118 CA LEU A 7 -1.566 -2.933 2.003 1.00 0.00 C +ATOM 119 C LEU A 7 -1.887 -4.289 1.365 1.00 0.00 C +ATOM 120 O LEU A 7 -1.341 -5.295 1.810 1.00 0.00 O +ATOM 121 CB LEU A 7 -2.578 -2.606 3.117 1.00 0.00 C +ATOM 122 CG LEU A 7 -2.079 -1.558 4.127 1.00 0.00 C +ATOM 123 CD1 LEU A 7 -3.224 -1.188 5.075 1.00 0.00 C +ATOM 124 CD2 LEU A 7 -0.891 -2.038 4.980 1.00 0.00 C +ATOM 125 H LEU A 7 -2.182 -1.096 1.068 1.00 0.00 H +ATOM 126 HA LEU A 7 -0.574 -3.041 2.436 1.00 0.00 H +ATOM 127 HB2 LEU A 7 -3.475 -2.234 2.660 1.00 0.00 H +ATOM 128 HB3 LEU A 7 -2.812 -3.520 3.665 1.00 0.00 H +ATOM 129 HG LEU A 7 -1.776 -0.664 3.583 1.00 0.00 H +ATOM 130 HD11 LEU A 7 -4.066 -0.795 4.505 1.00 0.00 H +ATOM 131 HD12 LEU A 7 -3.553 -2.070 5.626 1.00 0.00 H +ATOM 132 HD13 LEU A 7 -2.889 -0.433 5.787 1.00 0.00 H +ATOM 133 HD21 LEU A 7 -1.235 -2.453 5.927 1.00 0.00 H +ATOM 134 HD22 LEU A 7 -0.314 -2.808 4.473 1.00 0.00 H +ATOM 135 HD23 LEU A 7 -0.234 -1.196 5.184 1.00 0.00 H +ATOM 136 N LYS A 8 -2.711 -4.325 0.308 1.00 0.00 N +ATOM 137 CA LYS A 8 -3.090 -5.545 -0.417 1.00 0.00 C +ATOM 138 C LYS A 8 -1.889 -6.299 -0.992 1.00 0.00 C +ATOM 139 O LYS A 8 -1.885 -7.526 -0.985 1.00 0.00 O +ATOM 140 CB LYS A 8 -4.077 -5.189 -1.537 1.00 0.00 C +ATOM 141 CG LYS A 8 -4.961 -6.377 -1.915 1.00 0.00 C +ATOM 142 CD LYS A 8 -6.092 -5.927 -2.853 1.00 0.00 C +ATOM 143 CE LYS A 8 -6.345 -6.989 -3.925 1.00 0.00 C +ATOM 144 NZ LYS A 8 -7.706 -6.871 -4.496 1.00 0.00 N +ATOM 145 H LYS A 8 -3.163 -3.451 0.044 1.00 0.00 H +ATOM 146 HA LYS A 8 -3.576 -6.217 0.293 1.00 0.00 H +ATOM 147 HB2 LYS A 8 -4.702 -4.383 -1.205 1.00 0.00 H +ATOM 148 HB3 LYS A 8 -3.527 -4.857 -2.421 1.00 0.00 H +ATOM 149 HG2 LYS A 8 -4.364 -7.118 -2.411 1.00 0.00 H +ATOM 150 HG3 LYS A 8 -5.410 -6.796 -1.012 1.00 0.00 H +ATOM 151 HD2 LYS A 8 -6.988 -5.780 -2.282 1.00 0.00 H +ATOM 152 HD3 LYS A 8 -5.831 -4.988 -3.347 1.00 0.00 H +ATOM 153 HE2 LYS A 8 -5.625 -6.869 -4.712 1.00 0.00 H +ATOM 154 HE3 LYS A 8 -6.210 -7.979 -3.483 1.00 0.00 H +ATOM 155 HZ1 LYS A 8 -8.393 -7.094 -3.788 1.00 0.00 H +ATOM 156 HZ2 LYS A 8 -7.869 -5.930 -4.825 1.00 0.00 H +ATOM 157 HZ3 LYS A 8 -7.818 -7.515 -5.269 1.00 0.00 H +ATOM 158 N ASP A 9 -0.879 -5.565 -1.461 1.00 0.00 N +ATOM 159 CA ASP A 9 0.388 -6.124 -1.938 1.00 0.00 C +ATOM 160 C ASP A 9 1.241 -6.707 -0.792 1.00 0.00 C +ATOM 161 O ASP A 9 2.087 -7.564 -1.026 1.00 0.00 O +ATOM 162 CB ASP A 9 1.146 -5.019 -2.691 1.00 0.00 C +ATOM 163 CG ASP A 9 2.006 -5.586 -3.819 1.00 0.00 C +ATOM 164 OD1 ASP A 9 3.181 -5.908 -3.534 1.00 0.00 O +ATOM 165 OD2 ASP A 9 1.487 -5.664 -4.954 1.00 0.00 O +ATOM 166 H ASP A 9 -0.992 -4.558 -1.468 1.00 0.00 H +ATOM 167 HA ASP A 9 0.170 -6.935 -2.635 1.00 0.00 H +ATOM 168 HB2 ASP A 9 0.435 -4.333 -3.108 1.00 0.00 H +ATOM 169 HB3 ASP A 9 1.772 -4.458 -1.992 1.00 0.00 H +ATOM 170 N GLY A 10 0.985 -6.274 0.450 1.00 0.00 N +ATOM 171 CA GLY A 10 1.737 -6.639 1.646 1.00 0.00 C +ATOM 172 C GLY A 10 2.495 -5.468 2.278 1.00 0.00 C +ATOM 173 O GLY A 10 3.461 -5.715 3.003 1.00 0.00 O +ATOM 174 H GLY A 10 0.165 -5.692 0.580 1.00 0.00 H +ATOM 175 HA2 GLY A 10 1.039 -7.025 2.389 1.00 0.00 H +ATOM 176 HA3 GLY A 10 2.442 -7.433 1.411 1.00 0.00 H +ATOM 177 N GLY A 11 2.110 -4.213 1.995 1.00 0.00 N +ATOM 178 CA GLY A 11 2.673 -3.013 2.615 1.00 0.00 C +ATOM 179 C GLY A 11 4.207 -2.948 2.501 1.00 0.00 C +ATOM 180 O GLY A 11 4.725 -3.042 1.386 1.00 0.00 O +ATOM 181 H GLY A 11 1.398 -4.072 1.288 1.00 0.00 H +ATOM 182 HA2 GLY A 11 2.258 -2.139 2.116 1.00 0.00 H +ATOM 183 HA3 GLY A 11 2.357 -2.986 3.655 1.00 0.00 H +ATOM 184 N PRO A 12 4.960 -2.809 3.616 1.00 0.00 N +ATOM 185 CA PRO A 12 6.424 -2.779 3.578 1.00 0.00 C +ATOM 186 C PRO A 12 7.069 -4.028 2.960 1.00 0.00 C +ATOM 187 O PRO A 12 8.189 -3.932 2.461 1.00 0.00 O +ATOM 188 CB PRO A 12 6.890 -2.607 5.031 1.00 0.00 C +ATOM 189 CG PRO A 12 5.663 -2.077 5.767 1.00 0.00 C +ATOM 190 CD PRO A 12 4.496 -2.685 4.991 1.00 0.00 C +ATOM 191 HA PRO A 12 6.736 -1.908 3.002 1.00 0.00 H +ATOM 192 HB2 PRO A 12 7.202 -3.547 5.443 1.00 0.00 H +ATOM 193 HB3 PRO A 12 7.726 -1.910 5.099 1.00 0.00 H +ATOM 194 HG2 PRO A 12 5.657 -2.404 6.789 1.00 0.00 H +ATOM 195 HG3 PRO A 12 5.630 -0.990 5.687 1.00 0.00 H +ATOM 196 HD2 PRO A 12 4.243 -3.649 5.389 1.00 0.00 H +ATOM 197 HD3 PRO A 12 3.623 -2.038 5.075 1.00 0.00 H +ATOM 198 N SER A 13 6.387 -5.186 2.959 1.00 0.00 N +ATOM 199 CA SER A 13 6.949 -6.443 2.439 1.00 0.00 C +ATOM 200 C SER A 13 7.314 -6.364 0.949 1.00 0.00 C +ATOM 201 O SER A 13 8.295 -6.974 0.530 1.00 0.00 O +ATOM 202 CB SER A 13 6.004 -7.621 2.705 1.00 0.00 C +ATOM 203 OG SER A 13 4.930 -7.624 1.798 1.00 0.00 O +ATOM 204 H SER A 13 5.432 -5.191 3.307 1.00 0.00 H +ATOM 205 HA SER A 13 7.871 -6.641 2.985 1.00 0.00 H +ATOM 206 HB2 SER A 13 6.551 -8.539 2.604 1.00 0.00 H +ATOM 207 HB3 SER A 13 5.606 -7.556 3.718 1.00 0.00 H +ATOM 208 HG SER A 13 4.348 -6.883 2.036 1.00 0.00 H +ATOM 209 N SER A 14 6.579 -5.561 0.169 1.00 0.00 N +ATOM 210 CA SER A 14 6.820 -5.327 -1.256 1.00 0.00 C +ATOM 211 C SER A 14 7.922 -4.294 -1.522 1.00 0.00 C +ATOM 212 O SER A 14 8.242 -4.017 -2.677 1.00 0.00 O +ATOM 213 CB SER A 14 5.537 -4.831 -1.928 1.00 0.00 C +ATOM 214 OG SER A 14 4.441 -5.626 -1.548 1.00 0.00 O +ATOM 215 H SER A 14 5.746 -5.132 0.560 1.00 0.00 H +ATOM 216 HA SER A 14 7.104 -6.271 -1.725 1.00 0.00 H +ATOM 217 HB2 SER A 14 5.355 -3.815 -1.634 1.00 0.00 H +ATOM 218 HB3 SER A 14 5.656 -4.884 -3.011 1.00 0.00 H +ATOM 219 HG SER A 14 3.881 -5.799 -2.406 1.00 0.00 H +ATOM 220 N GLY A 15 8.461 -3.653 -0.477 1.00 0.00 N +ATOM 221 CA GLY A 15 9.520 -2.646 -0.549 1.00 0.00 C +ATOM 222 C GLY A 15 9.063 -1.246 -0.987 1.00 0.00 C +ATOM 223 O GLY A 15 9.688 -0.260 -0.601 1.00 0.00 O +ATOM 224 H GLY A 15 8.144 -3.918 0.453 1.00 0.00 H +ATOM 225 HA2 GLY A 15 9.982 -2.562 0.434 1.00 0.00 H +ATOM 226 HA3 GLY A 15 10.282 -2.988 -1.252 1.00 0.00 H +ATOM 227 N ARG A 16 7.983 -1.136 -1.775 1.00 0.00 N +ATOM 228 CA ARG A 16 7.407 0.144 -2.217 1.00 0.00 C +ATOM 229 C ARG A 16 6.873 0.959 -1.017 1.00 0.00 C +ATOM 230 O ARG A 16 6.188 0.381 -0.171 1.00 0.00 O +ATOM 231 CB ARG A 16 6.295 -0.134 -3.247 1.00 0.00 C +ATOM 232 CG ARG A 16 5.773 1.159 -3.895 1.00 0.00 C +ATOM 233 CD ARG A 16 4.638 0.926 -4.896 1.00 0.00 C +ATOM 234 NE ARG A 16 5.119 0.301 -6.142 1.00 0.00 N +ATOM 235 CZ ARG A 16 4.470 0.248 -7.298 1.00 0.00 C +ATOM 236 NH1 ARG A 16 3.270 0.763 -7.440 1.00 0.00 N +ATOM 237 NH2 ARG A 16 5.020 -0.326 -8.342 1.00 0.00 N +ATOM 238 H ARG A 16 7.569 -2.007 -2.081 1.00 0.00 H +ATOM 239 HA ARG A 16 8.207 0.703 -2.701 1.00 0.00 H +ATOM 240 HB2 ARG A 16 6.686 -0.773 -4.015 1.00 0.00 H +ATOM 241 HB3 ARG A 16 5.468 -0.652 -2.755 1.00 0.00 H +ATOM 242 HG2 ARG A 16 5.414 1.807 -3.119 1.00 0.00 H +ATOM 243 HG3 ARG A 16 6.591 1.664 -4.410 1.00 0.00 H +ATOM 244 HD2 ARG A 16 3.906 0.283 -4.446 1.00 0.00 H +ATOM 245 HD3 ARG A 16 4.201 1.899 -5.127 1.00 0.00 H +ATOM 246 HE ARG A 16 6.032 -0.122 -6.114 1.00 0.00 H +ATOM 247 HH11 ARG A 16 2.845 1.192 -6.637 1.00 0.00 H +ATOM 248 HH12 ARG A 16 2.779 0.716 -8.314 1.00 0.00 H +ATOM 249 HH21 ARG A 16 5.933 -0.740 -8.273 1.00 0.00 H +ATOM 250 HH22 ARG A 16 4.520 -0.368 -9.211 1.00 0.00 H +ATOM 251 N PRO A 17 7.105 2.288 -0.945 1.00 0.00 N +ATOM 252 CA PRO A 17 6.592 3.134 0.139 1.00 0.00 C +ATOM 253 C PRO A 17 5.058 3.310 0.093 1.00 0.00 C +ATOM 254 O PRO A 17 4.451 3.102 -0.962 1.00 0.00 O +ATOM 255 CB PRO A 17 7.309 4.480 -0.034 1.00 0.00 C +ATOM 256 CG PRO A 17 7.588 4.545 -1.531 1.00 0.00 C +ATOM 257 CD PRO A 17 7.889 3.089 -1.878 1.00 0.00 C +ATOM 258 HA PRO A 17 6.871 2.694 1.095 1.00 0.00 H +ATOM 259 HB2 PRO A 17 6.679 5.292 0.274 1.00 0.00 H +ATOM 260 HB3 PRO A 17 8.253 4.460 0.511 1.00 0.00 H +ATOM 261 HG2 PRO A 17 6.731 4.902 -2.069 1.00 0.00 H +ATOM 262 HG3 PRO A 17 8.431 5.198 -1.763 1.00 0.00 H +ATOM 263 HD2 PRO A 17 7.597 2.878 -2.889 1.00 0.00 H +ATOM 264 HD3 PRO A 17 8.949 2.883 -1.728 1.00 0.00 H +ATOM 265 N PRO A 18 4.425 3.724 1.211 1.00 0.00 N +ATOM 266 CA PRO A 18 2.983 3.945 1.275 1.00 0.00 C +ATOM 267 C PRO A 18 2.554 5.198 0.492 1.00 0.00 C +ATOM 268 O PRO A 18 3.293 6.183 0.449 1.00 0.00 O +ATOM 269 CB PRO A 18 2.654 4.089 2.764 1.00 0.00 C +ATOM 270 CG PRO A 18 3.948 4.624 3.370 1.00 0.00 C +ATOM 271 CD PRO A 18 5.036 3.983 2.507 1.00 0.00 C +ATOM 272 HA PRO A 18 2.476 3.068 0.878 1.00 0.00 H +ATOM 273 HB2 PRO A 18 1.847 4.781 2.913 1.00 0.00 H +ATOM 274 HB3 PRO A 18 2.438 3.109 3.186 1.00 0.00 H +ATOM 275 HG2 PRO A 18 3.988 5.694 3.306 1.00 0.00 H +ATOM 276 HG3 PRO A 18 4.049 4.343 4.419 1.00 0.00 H +ATOM 277 HD2 PRO A 18 5.868 4.652 2.399 1.00 0.00 H +ATOM 278 HD3 PRO A 18 5.351 3.039 2.955 1.00 0.00 H +ATOM 279 N PRO A 19 1.342 5.203 -0.093 1.00 0.00 N +ATOM 280 CA PRO A 19 0.805 6.357 -0.803 1.00 0.00 C +ATOM 281 C PRO A 19 0.320 7.423 0.190 1.00 0.00 C +ATOM 282 O PRO A 19 -0.257 7.100 1.229 1.00 0.00 O +ATOM 283 CB PRO A 19 -0.339 5.795 -1.648 1.00 0.00 C +ATOM 284 CG PRO A 19 -0.864 4.631 -0.807 1.00 0.00 C +ATOM 285 CD PRO A 19 0.380 4.112 -0.089 1.00 0.00 C +ATOM 286 HA PRO A 19 1.566 6.787 -1.457 1.00 0.00 H +ATOM 287 HB2 PRO A 19 -1.102 6.533 -1.800 1.00 0.00 H +ATOM 288 HB3 PRO A 19 0.063 5.409 -2.586 1.00 0.00 H +ATOM 289 HG2 PRO A 19 -1.599 4.969 -0.102 1.00 0.00 H +ATOM 290 HG3 PRO A 19 -1.304 3.856 -1.430 1.00 0.00 H +ATOM 291 HD2 PRO A 19 0.138 3.834 0.919 1.00 0.00 H +ATOM 292 HD3 PRO A 19 0.800 3.273 -0.642 1.00 0.00 H +ATOM 293 N SER A 20 0.540 8.696 -0.154 1.00 0.00 N +ATOM 294 CA SER A 20 0.107 9.883 0.597 1.00 0.00 C +ATOM 295 C SER A 20 -0.517 10.892 -0.359 1.00 0.00 C +ATOM 296 O SER A 20 0.173 11.221 -1.351 1.00 0.00 O +ATOM 297 CB SER A 20 1.287 10.518 1.338 1.00 0.00 C +ATOM 298 OG SER A 20 1.823 9.586 2.254 1.00 0.00 O +ATOM 299 OXT SER A 20 -1.676 11.275 -0.100 1.00 0.00 O +ATOM 300 H SER A 20 0.976 8.906 -1.042 1.00 0.00 H +ATOM 301 HA SER A 20 -0.660 9.612 1.323 1.00 0.00 H +ATOM 302 HB2 SER A 20 2.043 10.801 0.631 1.00 0.00 H +ATOM 303 HB3 SER A 20 0.947 11.404 1.878 1.00 0.00 H +ATOM 304 HG SER A 20 1.894 8.744 1.792 1.00 0.00 H +TER 305 SER A 20 +ENDMDL +MODEL 12 +ATOM 1 N ASN A 1 -4.775 8.349 0.978 1.00 0.00 N +ATOM 2 CA ASN A 1 -5.666 7.501 0.145 1.00 0.00 C +ATOM 3 C ASN A 1 -4.883 6.315 -0.422 1.00 0.00 C +ATOM 4 O ASN A 1 -3.710 6.189 -0.099 1.00 0.00 O +ATOM 5 CB ASN A 1 -6.368 8.312 -0.963 1.00 0.00 C +ATOM 6 CG ASN A 1 -7.731 7.695 -1.245 1.00 0.00 C +ATOM 7 OD1 ASN A 1 -8.561 7.621 -0.357 1.00 0.00 O +ATOM 8 ND2 ASN A 1 -7.984 7.161 -2.427 1.00 0.00 N +ATOM 9 H1 ASN A 1 -4.291 7.782 1.665 1.00 0.00 H +ATOM 10 H2 ASN A 1 -4.059 8.774 0.407 1.00 0.00 H +ATOM 11 H3 ASN A 1 -5.305 9.067 1.452 1.00 0.00 H +ATOM 12 HA ASN A 1 -6.445 7.096 0.797 1.00 0.00 H +ATOM 13 HB2 ASN A 1 -6.493 9.328 -0.640 1.00 0.00 H +ATOM 14 HB3 ASN A 1 -5.758 8.337 -1.869 1.00 0.00 H +ATOM 15 HD21 ASN A 1 -7.370 7.224 -3.224 1.00 0.00 H +ATOM 16 HD22 ASN A 1 -8.930 6.818 -2.517 1.00 0.00 H +ATOM 17 N LEU A 2 -5.505 5.439 -1.230 1.00 0.00 N +ATOM 18 CA LEU A 2 -4.870 4.301 -1.933 1.00 0.00 C +ATOM 19 C LEU A 2 -4.253 3.217 -1.013 1.00 0.00 C +ATOM 20 O LEU A 2 -3.725 2.212 -1.488 1.00 0.00 O +ATOM 21 CB LEU A 2 -3.879 4.858 -2.987 1.00 0.00 C +ATOM 22 CG LEU A 2 -3.862 4.103 -4.338 1.00 0.00 C +ATOM 23 CD1 LEU A 2 -3.942 5.102 -5.500 1.00 0.00 C +ATOM 24 CD2 LEU A 2 -2.594 3.266 -4.529 1.00 0.00 C +ATOM 25 H LEU A 2 -6.484 5.595 -1.443 1.00 0.00 H +ATOM 26 HA LEU A 2 -5.671 3.797 -2.474 1.00 0.00 H +ATOM 27 HB2 LEU A 2 -4.141 5.880 -3.181 1.00 0.00 H +ATOM 28 HB3 LEU A 2 -2.875 4.881 -2.566 1.00 0.00 H +ATOM 29 HG LEU A 2 -4.728 3.445 -4.407 1.00 0.00 H +ATOM 30 HD11 LEU A 2 -4.863 5.680 -5.430 1.00 0.00 H +ATOM 31 HD12 LEU A 2 -3.088 5.780 -5.472 1.00 0.00 H +ATOM 32 HD13 LEU A 2 -3.942 4.567 -6.450 1.00 0.00 H +ATOM 33 HD21 LEU A 2 -1.714 3.909 -4.532 1.00 0.00 H +ATOM 34 HD22 LEU A 2 -2.501 2.537 -3.726 1.00 0.00 H +ATOM 35 HD23 LEU A 2 -2.650 2.733 -5.479 1.00 0.00 H +ATOM 36 N TYR A 3 -4.358 3.387 0.311 1.00 0.00 N +ATOM 37 CA TYR A 3 -3.724 2.561 1.334 1.00 0.00 C +ATOM 38 C TYR A 3 -4.131 1.084 1.243 1.00 0.00 C +ATOM 39 O TYR A 3 -3.272 0.213 1.349 1.00 0.00 O +ATOM 40 CB TYR A 3 -4.034 3.171 2.713 1.00 0.00 C +ATOM 41 CG TYR A 3 -3.135 2.703 3.842 1.00 0.00 C +ATOM 42 CD1 TYR A 3 -1.737 2.851 3.727 1.00 0.00 C +ATOM 43 CD2 TYR A 3 -3.685 2.171 5.024 1.00 0.00 C +ATOM 44 CE1 TYR A 3 -0.891 2.412 4.759 1.00 0.00 C +ATOM 45 CE2 TYR A 3 -2.842 1.741 6.067 1.00 0.00 C +ATOM 46 CZ TYR A 3 -1.438 1.829 5.920 1.00 0.00 C +ATOM 47 OH TYR A 3 -0.611 1.332 6.879 1.00 0.00 O +ATOM 48 H TYR A 3 -4.748 4.266 0.609 1.00 0.00 H +ATOM 49 HA TYR A 3 -2.648 2.608 1.169 1.00 0.00 H +ATOM 50 HB2 TYR A 3 -3.940 4.237 2.633 1.00 0.00 H +ATOM 51 HB3 TYR A 3 -5.076 2.964 2.965 1.00 0.00 H +ATOM 52 HD1 TYR A 3 -1.301 3.304 2.848 1.00 0.00 H +ATOM 53 HD2 TYR A 3 -4.757 2.089 5.139 1.00 0.00 H +ATOM 54 HE1 TYR A 3 0.181 2.515 4.674 1.00 0.00 H +ATOM 55 HE2 TYR A 3 -3.268 1.331 6.971 1.00 0.00 H +ATOM 56 HH TYR A 3 -1.077 0.804 7.527 1.00 0.00 H +ATOM 57 N ILE A 4 -5.411 0.798 0.958 1.00 0.00 N +ATOM 58 CA ILE A 4 -5.929 -0.561 0.735 1.00 0.00 C +ATOM 59 C ILE A 4 -5.151 -1.265 -0.392 1.00 0.00 C +ATOM 60 O ILE A 4 -4.770 -2.424 -0.234 1.00 0.00 O +ATOM 61 CB ILE A 4 -7.448 -0.558 0.412 1.00 0.00 C +ATOM 62 CG1 ILE A 4 -8.318 0.310 1.355 1.00 0.00 C +ATOM 63 CG2 ILE A 4 -8.010 -2.000 0.433 1.00 0.00 C +ATOM 64 CD1 ILE A 4 -8.502 1.763 0.894 1.00 0.00 C +ATOM 65 H ILE A 4 -6.043 1.576 0.880 1.00 0.00 H +ATOM 66 HA ILE A 4 -5.774 -1.132 1.651 1.00 0.00 H +ATOM 67 HB ILE A 4 -7.573 -0.182 -0.605 1.00 0.00 H +ATOM 68 HG12 ILE A 4 -9.288 -0.144 1.429 1.00 0.00 H +ATOM 69 HG13 ILE A 4 -7.900 0.296 2.364 1.00 0.00 H +ATOM 70 HG21 ILE A 4 -7.241 -2.738 0.216 1.00 0.00 H +ATOM 71 HG22 ILE A 4 -8.427 -2.236 1.414 1.00 0.00 H +ATOM 72 HG23 ILE A 4 -8.799 -2.084 -0.315 1.00 0.00 H +ATOM 73 HD11 ILE A 4 -7.575 2.327 0.979 1.00 0.00 H +ATOM 74 HD12 ILE A 4 -8.846 1.782 -0.141 1.00 0.00 H +ATOM 75 HD13 ILE A 4 -9.256 2.242 1.519 1.00 0.00 H +ATOM 76 N GLN A 5 -4.901 -0.573 -1.513 1.00 0.00 N +ATOM 77 CA GLN A 5 -4.125 -1.106 -2.634 1.00 0.00 C +ATOM 78 C GLN A 5 -2.693 -1.437 -2.204 1.00 0.00 C +ATOM 79 O GLN A 5 -2.251 -2.565 -2.402 1.00 0.00 O +ATOM 80 CB GLN A 5 -4.128 -0.128 -3.830 1.00 0.00 C +ATOM 81 CG GLN A 5 -5.010 -0.590 -5.001 1.00 0.00 C +ATOM 82 CD GLN A 5 -4.334 -0.299 -6.339 1.00 0.00 C +ATOM 83 OE1 GLN A 5 -4.559 0.724 -6.965 1.00 0.00 O +ATOM 84 NE2 GLN A 5 -3.468 -1.181 -6.803 1.00 0.00 N +ATOM 85 H GLN A 5 -5.142 0.409 -1.535 1.00 0.00 H +ATOM 86 HA GLN A 5 -4.578 -2.049 -2.940 1.00 0.00 H +ATOM 87 HB2 GLN A 5 -4.488 0.824 -3.489 1.00 0.00 H +ATOM 88 HB3 GLN A 5 -3.103 -0.020 -4.191 1.00 0.00 H +ATOM 89 HG2 GLN A 5 -5.182 -1.646 -4.916 1.00 0.00 H +ATOM 90 HG3 GLN A 5 -5.966 -0.069 -4.961 1.00 0.00 H +ATOM 91 HE21 GLN A 5 -3.220 -2.017 -6.300 1.00 0.00 H +ATOM 92 HE22 GLN A 5 -3.046 -0.932 -7.681 1.00 0.00 H +ATOM 93 N TRP A 6 -1.990 -0.483 -1.580 1.00 0.00 N +ATOM 94 CA TRP A 6 -0.617 -0.690 -1.102 1.00 0.00 C +ATOM 95 C TRP A 6 -0.505 -1.806 -0.047 1.00 0.00 C +ATOM 96 O TRP A 6 0.434 -2.605 -0.072 1.00 0.00 O +ATOM 97 CB TRP A 6 -0.075 0.634 -0.556 1.00 0.00 C +ATOM 98 CG TRP A 6 1.309 0.540 0.003 1.00 0.00 C +ATOM 99 CD1 TRP A 6 2.446 0.522 -0.728 1.00 0.00 C +ATOM 100 CD2 TRP A 6 1.725 0.405 1.396 1.00 0.00 C +ATOM 101 NE1 TRP A 6 3.531 0.366 0.112 1.00 0.00 N +ATOM 102 CE2 TRP A 6 3.148 0.312 1.431 1.00 0.00 C +ATOM 103 CE3 TRP A 6 1.050 0.354 2.636 1.00 0.00 C +ATOM 104 CZ2 TRP A 6 3.871 0.207 2.626 1.00 0.00 C +ATOM 105 CZ3 TRP A 6 1.766 0.241 3.845 1.00 0.00 C +ATOM 106 CH2 TRP A 6 3.172 0.180 3.843 1.00 0.00 C +ATOM 107 H TRP A 6 -2.436 0.418 -1.445 1.00 0.00 H +ATOM 108 HA TRP A 6 0.001 -0.996 -1.948 1.00 0.00 H +ATOM 109 HB2 TRP A 6 -0.069 1.351 -1.354 1.00 0.00 H +ATOM 110 HB3 TRP A 6 -0.741 0.996 0.231 1.00 0.00 H +ATOM 111 HD1 TRP A 6 2.490 0.606 -1.806 1.00 0.00 H +ATOM 112 HE1 TRP A 6 4.506 0.317 -0.195 1.00 0.00 H +ATOM 113 HE3 TRP A 6 -0.028 0.413 2.652 1.00 0.00 H +ATOM 114 HZ2 TRP A 6 4.948 0.144 2.596 1.00 0.00 H +ATOM 115 HZ3 TRP A 6 1.233 0.211 4.786 1.00 0.00 H +ATOM 116 HH2 TRP A 6 3.712 0.109 4.775 1.00 0.00 H +ATOM 117 N LEU A 7 -1.478 -1.903 0.868 1.00 0.00 N +ATOM 118 CA LEU A 7 -1.565 -3.023 1.803 1.00 0.00 C +ATOM 119 C LEU A 7 -1.788 -4.359 1.077 1.00 0.00 C +ATOM 120 O LEU A 7 -1.184 -5.351 1.478 1.00 0.00 O +ATOM 121 CB LEU A 7 -2.659 -2.772 2.854 1.00 0.00 C +ATOM 122 CG LEU A 7 -2.323 -1.690 3.899 1.00 0.00 C +ATOM 123 CD1 LEU A 7 -3.521 -1.550 4.842 1.00 0.00 C +ATOM 124 CD2 LEU A 7 -1.085 -2.027 4.739 1.00 0.00 C +ATOM 125 H LEU A 7 -2.200 -1.184 0.892 1.00 0.00 H +ATOM 126 HA LEU A 7 -0.606 -3.120 2.310 1.00 0.00 H +ATOM 127 HB2 LEU A 7 -3.552 -2.472 2.340 1.00 0.00 H +ATOM 128 HB3 LEU A 7 -2.840 -3.707 3.385 1.00 0.00 H +ATOM 129 HG LEU A 7 -2.150 -0.733 3.410 1.00 0.00 H +ATOM 130 HD11 LEU A 7 -4.397 -1.228 4.278 1.00 0.00 H +ATOM 131 HD12 LEU A 7 -3.729 -2.502 5.330 1.00 0.00 H +ATOM 132 HD13 LEU A 7 -3.305 -0.807 5.605 1.00 0.00 H +ATOM 133 HD21 LEU A 7 -1.199 -3.007 5.202 1.00 0.00 H +ATOM 134 HD22 LEU A 7 -0.194 -2.019 4.114 1.00 0.00 H +ATOM 135 HD23 LEU A 7 -0.952 -1.273 5.515 1.00 0.00 H +ATOM 136 N LYS A 8 -2.578 -4.390 -0.010 1.00 0.00 N +ATOM 137 CA LYS A 8 -2.803 -5.590 -0.835 1.00 0.00 C +ATOM 138 C LYS A 8 -1.523 -6.177 -1.436 1.00 0.00 C +ATOM 139 O LYS A 8 -1.444 -7.395 -1.565 1.00 0.00 O +ATOM 140 CB LYS A 8 -3.841 -5.306 -1.943 1.00 0.00 C +ATOM 141 CG LYS A 8 -5.102 -6.183 -1.820 1.00 0.00 C +ATOM 142 CD LYS A 8 -6.388 -5.360 -1.964 1.00 0.00 C +ATOM 143 CE LYS A 8 -7.575 -6.172 -1.439 1.00 0.00 C +ATOM 144 NZ LYS A 8 -8.803 -5.348 -1.365 1.00 0.00 N +ATOM 145 H LYS A 8 -3.058 -3.531 -0.269 1.00 0.00 H +ATOM 146 HA LYS A 8 -3.176 -6.367 -0.170 1.00 0.00 H +ATOM 147 HB2 LYS A 8 -4.133 -4.275 -1.883 1.00 0.00 H +ATOM 148 HB3 LYS A 8 -3.394 -5.473 -2.925 1.00 0.00 H +ATOM 149 HG2 LYS A 8 -5.081 -6.931 -2.589 1.00 0.00 H +ATOM 150 HG3 LYS A 8 -5.122 -6.674 -0.847 1.00 0.00 H +ATOM 151 HD2 LYS A 8 -6.297 -4.453 -1.399 1.00 0.00 H +ATOM 152 HD3 LYS A 8 -6.539 -5.092 -3.010 1.00 0.00 H +ATOM 153 HE2 LYS A 8 -7.750 -7.001 -2.098 1.00 0.00 H +ATOM 154 HE3 LYS A 8 -7.320 -6.540 -0.441 1.00 0.00 H +ATOM 155 HZ1 LYS A 8 -8.641 -4.541 -0.776 1.00 0.00 H +ATOM 156 HZ2 LYS A 8 -9.066 -5.030 -2.289 1.00 0.00 H +ATOM 157 HZ3 LYS A 8 -9.564 -5.888 -0.973 1.00 0.00 H +ATOM 158 N ASP A 9 -0.517 -5.351 -1.751 1.00 0.00 N +ATOM 159 CA ASP A 9 0.810 -5.841 -2.151 1.00 0.00 C +ATOM 160 C ASP A 9 1.554 -6.575 -1.011 1.00 0.00 C +ATOM 161 O ASP A 9 2.438 -7.380 -1.298 1.00 0.00 O +ATOM 162 CB ASP A 9 1.696 -4.676 -2.632 1.00 0.00 C +ATOM 163 CG ASP A 9 1.245 -3.986 -3.921 1.00 0.00 C +ATOM 164 OD1 ASP A 9 1.597 -4.502 -5.006 1.00 0.00 O +ATOM 165 OD2 ASP A 9 0.666 -2.883 -3.811 1.00 0.00 O +ATOM 166 H ASP A 9 -0.685 -4.351 -1.702 1.00 0.00 H +ATOM 167 HA ASP A 9 0.696 -6.548 -2.974 1.00 0.00 H +ATOM 168 HB2 ASP A 9 1.720 -3.937 -1.854 1.00 0.00 H +ATOM 169 HB3 ASP A 9 2.698 -5.068 -2.815 1.00 0.00 H +ATOM 170 N GLY A 10 1.225 -6.295 0.263 1.00 0.00 N +ATOM 171 CA GLY A 10 1.982 -6.737 1.446 1.00 0.00 C +ATOM 172 C GLY A 10 2.507 -5.606 2.352 1.00 0.00 C +ATOM 173 O GLY A 10 3.317 -5.867 3.245 1.00 0.00 O +ATOM 174 H GLY A 10 0.375 -5.762 0.424 1.00 0.00 H +ATOM 175 HA2 GLY A 10 1.336 -7.376 2.049 1.00 0.00 H +ATOM 176 HA3 GLY A 10 2.840 -7.334 1.133 1.00 0.00 H +ATOM 177 N GLY A 11 2.078 -4.353 2.136 1.00 0.00 N +ATOM 178 CA GLY A 11 2.489 -3.194 2.933 1.00 0.00 C +ATOM 179 C GLY A 11 4.018 -3.015 3.017 1.00 0.00 C +ATOM 180 O GLY A 11 4.676 -2.975 1.975 1.00 0.00 O +ATOM 181 H GLY A 11 1.434 -4.188 1.373 1.00 0.00 H +ATOM 182 HA2 GLY A 11 2.070 -2.296 2.478 1.00 0.00 H +ATOM 183 HA3 GLY A 11 2.056 -3.301 3.926 1.00 0.00 H +ATOM 184 N PRO A 12 4.624 -2.897 4.222 1.00 0.00 N +ATOM 185 CA PRO A 12 6.074 -2.717 4.372 1.00 0.00 C +ATOM 186 C PRO A 12 6.928 -3.824 3.735 1.00 0.00 C +ATOM 187 O PRO A 12 8.086 -3.582 3.404 1.00 0.00 O +ATOM 188 CB PRO A 12 6.342 -2.659 5.880 1.00 0.00 C +ATOM 189 CG PRO A 12 4.997 -2.271 6.487 1.00 0.00 C +ATOM 190 CD PRO A 12 3.985 -2.895 5.530 1.00 0.00 C +ATOM 191 HA PRO A 12 6.352 -1.763 3.924 1.00 0.00 H +ATOM 192 HB2 PRO A 12 6.663 -3.615 6.246 1.00 0.00 H +ATOM 193 HB3 PRO A 12 7.115 -1.929 6.121 1.00 0.00 H +ATOM 194 HG2 PRO A 12 4.891 -2.675 7.475 1.00 0.00 H +ATOM 195 HG3 PRO A 12 4.893 -1.186 6.477 1.00 0.00 H +ATOM 196 HD2 PRO A 12 3.753 -3.898 5.834 1.00 0.00 H +ATOM 197 HD3 PRO A 12 3.065 -2.308 5.536 1.00 0.00 H +ATOM 198 N SER A 13 6.371 -5.030 3.550 1.00 0.00 N +ATOM 199 CA SER A 13 7.084 -6.170 2.958 1.00 0.00 C +ATOM 200 C SER A 13 7.083 -6.156 1.418 1.00 0.00 C +ATOM 201 O SER A 13 7.625 -7.072 0.804 1.00 0.00 O +ATOM 202 CB SER A 13 6.515 -7.484 3.508 1.00 0.00 C +ATOM 203 OG SER A 13 6.707 -7.539 4.910 1.00 0.00 O +ATOM 204 H SER A 13 5.380 -5.139 3.743 1.00 0.00 H +ATOM 205 HA SER A 13 8.130 -6.125 3.264 1.00 0.00 H +ATOM 206 HB2 SER A 13 5.466 -7.537 3.290 1.00 0.00 H +ATOM 207 HB3 SER A 13 7.033 -8.329 3.054 1.00 0.00 H +ATOM 208 HG SER A 13 6.297 -6.766 5.305 1.00 0.00 H +ATOM 209 N SER A 14 6.505 -5.124 0.784 1.00 0.00 N +ATOM 210 CA SER A 14 6.326 -5.021 -0.674 1.00 0.00 C +ATOM 211 C SER A 14 7.445 -4.276 -1.413 1.00 0.00 C +ATOM 212 O SER A 14 7.363 -4.116 -2.632 1.00 0.00 O +ATOM 213 CB SER A 14 5.029 -4.263 -0.971 1.00 0.00 C +ATOM 214 OG SER A 14 3.953 -4.822 -0.267 1.00 0.00 O +ATOM 215 H SER A 14 6.012 -4.435 1.345 1.00 0.00 H +ATOM 216 HA SER A 14 6.241 -6.022 -1.098 1.00 0.00 H +ATOM 217 HB2 SER A 14 5.146 -3.237 -0.678 1.00 0.00 H +ATOM 218 HB3 SER A 14 4.818 -4.312 -2.040 1.00 0.00 H +ATOM 219 HG SER A 14 3.220 -4.203 -0.295 1.00 0.00 H +ATOM 220 N GLY A 15 8.438 -3.724 -0.707 1.00 0.00 N +ATOM 221 CA GLY A 15 9.507 -2.889 -1.274 1.00 0.00 C +ATOM 222 C GLY A 15 9.063 -1.480 -1.708 1.00 0.00 C +ATOM 223 O GLY A 15 9.798 -0.518 -1.489 1.00 0.00 O +ATOM 224 H GLY A 15 8.430 -3.884 0.291 1.00 0.00 H +ATOM 225 HA2 GLY A 15 10.304 -2.784 -0.538 1.00 0.00 H +ATOM 226 HA3 GLY A 15 9.927 -3.393 -2.147 1.00 0.00 H +ATOM 227 N ARG A 16 7.872 -1.340 -2.309 1.00 0.00 N +ATOM 228 CA ARG A 16 7.271 -0.051 -2.694 1.00 0.00 C +ATOM 229 C ARG A 16 6.858 0.790 -1.462 1.00 0.00 C +ATOM 230 O ARG A 16 6.260 0.241 -0.533 1.00 0.00 O +ATOM 231 CB ARG A 16 6.089 -0.273 -3.662 1.00 0.00 C +ATOM 232 CG ARG A 16 4.953 -1.164 -3.120 1.00 0.00 C +ATOM 233 CD ARG A 16 3.733 -1.249 -4.050 1.00 0.00 C +ATOM 234 NE ARG A 16 4.008 -2.020 -5.278 1.00 0.00 N +ATOM 235 CZ ARG A 16 4.304 -1.553 -6.487 1.00 0.00 C +ATOM 236 NH1 ARG A 16 4.332 -0.266 -6.751 1.00 0.00 N +ATOM 237 NH2 ARG A 16 4.584 -2.382 -7.463 1.00 0.00 N +ATOM 238 H ARG A 16 7.380 -2.207 -2.502 1.00 0.00 H +ATOM 239 HA ARG A 16 8.042 0.496 -3.233 1.00 0.00 H +ATOM 240 HB2 ARG A 16 5.672 0.686 -3.902 1.00 0.00 H +ATOM 241 HB3 ARG A 16 6.479 -0.726 -4.575 1.00 0.00 H +ATOM 242 HG2 ARG A 16 5.339 -2.155 -2.977 1.00 0.00 H +ATOM 243 HG3 ARG A 16 4.607 -0.763 -2.173 1.00 0.00 H +ATOM 244 HD2 ARG A 16 2.929 -1.722 -3.520 1.00 0.00 H +ATOM 245 HD3 ARG A 16 3.380 -0.245 -4.284 1.00 0.00 H +ATOM 246 HE ARG A 16 3.860 -3.017 -5.208 1.00 0.00 H +ATOM 247 HH11 ARG A 16 4.070 0.367 -6.019 1.00 0.00 H +ATOM 248 HH12 ARG A 16 4.528 0.072 -7.675 1.00 0.00 H +ATOM 249 HH21 ARG A 16 4.555 -3.374 -7.290 1.00 0.00 H +ATOM 250 HH22 ARG A 16 4.810 -2.036 -8.376 1.00 0.00 H +ATOM 251 N PRO A 17 7.111 2.116 -1.447 1.00 0.00 N +ATOM 252 CA PRO A 17 6.730 2.992 -0.332 1.00 0.00 C +ATOM 253 C PRO A 17 5.203 3.215 -0.255 1.00 0.00 C +ATOM 254 O PRO A 17 4.512 3.033 -1.262 1.00 0.00 O +ATOM 255 CB PRO A 17 7.472 4.309 -0.592 1.00 0.00 C +ATOM 256 CG PRO A 17 7.586 4.354 -2.114 1.00 0.00 C +ATOM 257 CD PRO A 17 7.780 2.885 -2.487 1.00 0.00 C +ATOM 258 HA PRO A 17 7.081 2.557 0.604 1.00 0.00 H +ATOM 259 HB2 PRO A 17 6.910 5.146 -0.224 1.00 0.00 H +ATOM 260 HB3 PRO A 17 8.471 4.256 -0.155 1.00 0.00 H +ATOM 261 HG2 PRO A 17 6.692 4.750 -2.556 1.00 0.00 H +ATOM 262 HG3 PRO A 17 8.426 4.969 -2.440 1.00 0.00 H +ATOM 263 HD2 PRO A 17 7.339 2.682 -3.444 1.00 0.00 H +ATOM 264 HD3 PRO A 17 8.845 2.645 -2.487 1.00 0.00 H +ATOM 265 N PRO A 18 4.666 3.621 0.914 1.00 0.00 N +ATOM 266 CA PRO A 18 3.235 3.860 1.094 1.00 0.00 C +ATOM 267 C PRO A 18 2.748 5.165 0.425 1.00 0.00 C +ATOM 268 O PRO A 18 3.529 6.100 0.248 1.00 0.00 O +ATOM 269 CB PRO A 18 3.024 3.899 2.612 1.00 0.00 C +ATOM 270 CG PRO A 18 4.361 4.406 3.146 1.00 0.00 C +ATOM 271 CD PRO A 18 5.372 3.796 2.177 1.00 0.00 C +ATOM 272 HA PRO A 18 2.688 3.015 0.682 1.00 0.00 H +ATOM 273 HB2 PRO A 18 2.228 4.570 2.871 1.00 0.00 H +ATOM 274 HB3 PRO A 18 2.846 2.890 2.983 1.00 0.00 H +ATOM 275 HG2 PRO A 18 4.404 5.478 3.124 1.00 0.00 H +ATOM 276 HG3 PRO A 18 4.538 4.078 4.171 1.00 0.00 H +ATOM 277 HD2 PRO A 18 6.209 4.455 2.048 1.00 0.00 H +ATOM 278 HD3 PRO A 18 5.693 2.821 2.549 1.00 0.00 H +ATOM 279 N PRO A 19 1.443 5.263 0.091 1.00 0.00 N +ATOM 280 CA PRO A 19 0.813 6.446 -0.514 1.00 0.00 C +ATOM 281 C PRO A 19 0.366 7.514 0.505 1.00 0.00 C +ATOM 282 O PRO A 19 -0.168 8.563 0.135 1.00 0.00 O +ATOM 283 CB PRO A 19 -0.418 5.883 -1.228 1.00 0.00 C +ATOM 284 CG PRO A 19 -0.852 4.754 -0.291 1.00 0.00 C +ATOM 285 CD PRO A 19 0.481 4.171 0.160 1.00 0.00 C +ATOM 286 HA PRO A 19 1.483 6.910 -1.240 1.00 0.00 H +ATOM 287 HB2 PRO A 19 -1.186 6.626 -1.322 1.00 0.00 H +ATOM 288 HB3 PRO A 19 -0.127 5.468 -2.194 1.00 0.00 H +ATOM 289 HG2 PRO A 19 -1.411 5.134 0.542 1.00 0.00 H +ATOM 290 HG3 PRO A 19 -1.463 4.012 -0.801 1.00 0.00 H +ATOM 291 HD2 PRO A 19 0.406 3.804 1.165 1.00 0.00 H +ATOM 292 HD3 PRO A 19 0.786 3.388 -0.533 1.00 0.00 H +ATOM 293 N SER A 20 0.475 7.235 1.804 1.00 0.00 N +ATOM 294 CA SER A 20 0.117 8.121 2.917 1.00 0.00 C +ATOM 295 C SER A 20 0.951 7.740 4.134 1.00 0.00 C +ATOM 296 O SER A 20 1.145 6.518 4.316 1.00 0.00 O +ATOM 297 CB SER A 20 -1.376 8.004 3.229 1.00 0.00 C +ATOM 298 OG SER A 20 -2.078 8.526 2.113 1.00 0.00 O +ATOM 299 OXT SER A 20 1.384 8.682 4.830 1.00 0.00 O +ATOM 300 H SER A 20 0.881 6.355 2.097 1.00 0.00 H +ATOM 301 HA SER A 20 0.361 9.155 2.677 1.00 0.00 H +ATOM 302 HB2 SER A 20 -1.640 6.975 3.382 1.00 0.00 H +ATOM 303 HB3 SER A 20 -1.610 8.576 4.131 1.00 0.00 H +ATOM 304 HG SER A 20 -1.383 8.683 1.436 1.00 0.00 H +TER 305 SER A 20 +ENDMDL +MODEL 13 +ATOM 1 N ASN A 1 -7.908 6.785 -1.311 1.00 0.00 N +ATOM 2 CA ASN A 1 -7.019 6.327 -0.216 1.00 0.00 C +ATOM 3 C ASN A 1 -5.683 5.747 -0.661 1.00 0.00 C +ATOM 4 O ASN A 1 -4.708 6.050 0.013 1.00 0.00 O +ATOM 5 CB ASN A 1 -7.728 5.352 0.732 1.00 0.00 C +ATOM 6 CG ASN A 1 -8.620 6.137 1.676 1.00 0.00 C +ATOM 7 OD1 ASN A 1 -9.560 6.770 1.223 1.00 0.00 O +ATOM 8 ND2 ASN A 1 -8.313 6.173 2.959 1.00 0.00 N +ATOM 9 H1 ASN A 1 -7.434 7.466 -1.890 1.00 0.00 H +ATOM 10 H2 ASN A 1 -8.205 6.004 -1.879 1.00 0.00 H +ATOM 11 H3 ASN A 1 -8.733 7.210 -0.902 1.00 0.00 H +ATOM 12 HA ASN A 1 -6.754 7.204 0.378 1.00 0.00 H +ATOM 13 HB2 ASN A 1 -8.324 4.666 0.162 1.00 0.00 H +ATOM 14 HB3 ASN A 1 -6.996 4.787 1.311 1.00 0.00 H +ATOM 15 HD21 ASN A 1 -7.513 5.701 3.351 1.00 0.00 H +ATOM 16 HD22 ASN A 1 -8.923 6.730 3.536 1.00 0.00 H +ATOM 17 N LEU A 2 -5.615 4.880 -1.688 1.00 0.00 N +ATOM 18 CA LEU A 2 -4.406 4.163 -2.156 1.00 0.00 C +ATOM 19 C LEU A 2 -3.837 3.130 -1.158 1.00 0.00 C +ATOM 20 O LEU A 2 -3.364 2.071 -1.568 1.00 0.00 O +ATOM 21 CB LEU A 2 -3.322 5.161 -2.622 1.00 0.00 C +ATOM 22 CG LEU A 2 -3.769 6.069 -3.790 1.00 0.00 C +ATOM 23 CD1 LEU A 2 -3.562 7.551 -3.463 1.00 0.00 C +ATOM 24 CD2 LEU A 2 -3.001 5.730 -5.068 1.00 0.00 C +ATOM 25 H LEU A 2 -6.452 4.624 -2.189 1.00 0.00 H +ATOM 26 HA LEU A 2 -4.692 3.585 -3.037 1.00 0.00 H +ATOM 27 HB2 LEU A 2 -3.057 5.785 -1.790 1.00 0.00 H +ATOM 28 HB3 LEU A 2 -2.440 4.595 -2.923 1.00 0.00 H +ATOM 29 HG LEU A 2 -4.830 5.921 -3.991 1.00 0.00 H +ATOM 30 HD11 LEU A 2 -4.099 7.813 -2.552 1.00 0.00 H +ATOM 31 HD12 LEU A 2 -2.502 7.762 -3.318 1.00 0.00 H +ATOM 32 HD13 LEU A 2 -3.938 8.167 -4.281 1.00 0.00 H +ATOM 33 HD21 LEU A 2 -1.934 5.911 -4.924 1.00 0.00 H +ATOM 34 HD22 LEU A 2 -3.157 4.681 -5.323 1.00 0.00 H +ATOM 35 HD23 LEU A 2 -3.359 6.350 -5.889 1.00 0.00 H +ATOM 36 N TYR A 3 -3.941 3.391 0.150 1.00 0.00 N +ATOM 37 CA TYR A 3 -3.446 2.538 1.230 1.00 0.00 C +ATOM 38 C TYR A 3 -4.000 1.103 1.182 1.00 0.00 C +ATOM 39 O TYR A 3 -3.277 0.167 1.508 1.00 0.00 O +ATOM 40 CB TYR A 3 -3.738 3.210 2.583 1.00 0.00 C +ATOM 41 CG TYR A 3 -2.672 2.927 3.623 1.00 0.00 C +ATOM 42 CD1 TYR A 3 -2.765 1.788 4.444 1.00 0.00 C +ATOM 43 CD2 TYR A 3 -1.567 3.795 3.740 1.00 0.00 C +ATOM 44 CE1 TYR A 3 -1.751 1.512 5.382 1.00 0.00 C +ATOM 45 CE2 TYR A 3 -0.550 3.520 4.672 1.00 0.00 C +ATOM 46 CZ TYR A 3 -0.641 2.375 5.495 1.00 0.00 C +ATOM 47 OH TYR A 3 0.344 2.091 6.389 1.00 0.00 O +ATOM 48 H TYR A 3 -4.221 4.340 0.385 1.00 0.00 H +ATOM 49 HA TYR A 3 -2.363 2.475 1.122 1.00 0.00 H +ATOM 50 HB2 TYR A 3 -3.797 4.271 2.433 1.00 0.00 H +ATOM 51 HB3 TYR A 3 -4.711 2.883 2.955 1.00 0.00 H +ATOM 52 HD1 TYR A 3 -3.607 1.120 4.349 1.00 0.00 H +ATOM 53 HD2 TYR A 3 -1.493 4.677 3.117 1.00 0.00 H +ATOM 54 HE1 TYR A 3 -1.801 0.643 6.018 1.00 0.00 H +ATOM 55 HE2 TYR A 3 0.291 4.191 4.755 1.00 0.00 H +ATOM 56 HH TYR A 3 1.086 2.690 6.302 1.00 0.00 H +ATOM 57 N ILE A 4 -5.249 0.909 0.731 1.00 0.00 N +ATOM 58 CA ILE A 4 -5.862 -0.418 0.547 1.00 0.00 C +ATOM 59 C ILE A 4 -5.108 -1.223 -0.524 1.00 0.00 C +ATOM 60 O ILE A 4 -4.705 -2.359 -0.275 1.00 0.00 O +ATOM 61 CB ILE A 4 -7.371 -0.307 0.207 1.00 0.00 C +ATOM 62 CG1 ILE A 4 -8.145 0.575 1.218 1.00 0.00 C +ATOM 63 CG2 ILE A 4 -8.018 -1.702 0.164 1.00 0.00 C +ATOM 64 CD1 ILE A 4 -8.506 1.935 0.617 1.00 0.00 C +ATOM 65 H ILE A 4 -5.779 1.731 0.489 1.00 0.00 H +ATOM 66 HA ILE A 4 -5.769 -0.964 1.487 1.00 0.00 H +ATOM 67 HB ILE A 4 -7.472 0.126 -0.790 1.00 0.00 H +ATOM 68 HG12 ILE A 4 -9.048 0.069 1.502 1.00 0.00 H +ATOM 69 HG13 ILE A 4 -7.554 0.726 2.123 1.00 0.00 H +ATOM 70 HG21 ILE A 4 -7.562 -2.315 -0.613 1.00 0.00 H +ATOM 71 HG22 ILE A 4 -7.904 -2.200 1.127 1.00 0.00 H +ATOM 72 HG23 ILE A 4 -9.081 -1.610 -0.065 1.00 0.00 H +ATOM 73 HD11 ILE A 4 -7.611 2.423 0.233 1.00 0.00 H +ATOM 74 HD12 ILE A 4 -9.219 1.799 -0.198 1.00 0.00 H +ATOM 75 HD13 ILE A 4 -8.963 2.563 1.384 1.00 0.00 H +ATOM 76 N GLN A 5 -4.883 -0.627 -1.705 1.00 0.00 N +ATOM 77 CA GLN A 5 -4.097 -1.237 -2.779 1.00 0.00 C +ATOM 78 C GLN A 5 -2.654 -1.511 -2.339 1.00 0.00 C +ATOM 79 O GLN A 5 -2.134 -2.592 -2.614 1.00 0.00 O +ATOM 80 CB GLN A 5 -4.124 -0.349 -4.035 1.00 0.00 C +ATOM 81 CG GLN A 5 -5.446 -0.464 -4.826 1.00 0.00 C +ATOM 82 CD GLN A 5 -6.302 0.803 -4.886 1.00 0.00 C +ATOM 83 OE1 GLN A 5 -5.896 1.911 -4.564 1.00 0.00 O +ATOM 84 NE2 GLN A 5 -7.545 0.678 -5.313 1.00 0.00 N +ATOM 85 H GLN A 5 -5.163 0.337 -1.814 1.00 0.00 H +ATOM 86 HA GLN A 5 -4.533 -2.207 -3.026 1.00 0.00 H +ATOM 87 HB2 GLN A 5 -3.993 0.673 -3.735 1.00 0.00 H +ATOM 88 HB3 GLN A 5 -3.318 -0.674 -4.696 1.00 0.00 H +ATOM 89 HG2 GLN A 5 -5.203 -0.745 -5.833 1.00 0.00 H +ATOM 90 HG3 GLN A 5 -6.054 -1.268 -4.411 1.00 0.00 H +ATOM 91 HE21 GLN A 5 -7.934 -0.208 -5.587 1.00 0.00 H +ATOM 92 HE22 GLN A 5 -8.048 1.544 -5.402 1.00 0.00 H +ATOM 93 N TRP A 6 -2.027 -0.572 -1.618 1.00 0.00 N +ATOM 94 CA TRP A 6 -0.693 -0.764 -1.047 1.00 0.00 C +ATOM 95 C TRP A 6 -0.644 -1.917 -0.026 1.00 0.00 C +ATOM 96 O TRP A 6 0.231 -2.778 -0.111 1.00 0.00 O +ATOM 97 CB TRP A 6 -0.213 0.557 -0.443 1.00 0.00 C +ATOM 98 CG TRP A 6 1.169 0.505 0.124 1.00 0.00 C +ATOM 99 CD1 TRP A 6 2.314 0.542 -0.597 1.00 0.00 C +ATOM 100 CD2 TRP A 6 1.577 0.373 1.518 1.00 0.00 C +ATOM 101 NE1 TRP A 6 3.396 0.430 0.252 1.00 0.00 N +ATOM 102 CE2 TRP A 6 3.001 0.346 1.569 1.00 0.00 C +ATOM 103 CE3 TRP A 6 0.887 0.268 2.747 1.00 0.00 C +ATOM 104 CZ2 TRP A 6 3.712 0.258 2.772 1.00 0.00 C +ATOM 105 CZ3 TRP A 6 1.592 0.150 3.960 1.00 0.00 C +ATOM 106 CH2 TRP A 6 2.998 0.165 3.978 1.00 0.00 C +ATOM 107 H TRP A 6 -2.505 0.316 -1.478 1.00 0.00 H +ATOM 108 HA TRP A 6 -0.010 -1.033 -1.856 1.00 0.00 H +ATOM 109 HB2 TRP A 6 -0.234 1.306 -1.211 1.00 0.00 H +ATOM 110 HB3 TRP A 6 -0.898 0.860 0.348 1.00 0.00 H +ATOM 111 HD1 TRP A 6 2.368 0.630 -1.674 1.00 0.00 H +ATOM 112 HE1 TRP A 6 4.370 0.409 -0.063 1.00 0.00 H +ATOM 113 HE3 TRP A 6 -0.194 0.280 2.749 1.00 0.00 H +ATOM 114 HZ2 TRP A 6 4.792 0.247 2.758 1.00 0.00 H +ATOM 115 HZ3 TRP A 6 1.046 0.055 4.888 1.00 0.00 H +ATOM 116 HH2 TRP A 6 3.527 0.092 4.916 1.00 0.00 H +ATOM 117 N LEU A 7 -1.605 -2.000 0.907 1.00 0.00 N +ATOM 118 CA LEU A 7 -1.710 -3.134 1.832 1.00 0.00 C +ATOM 119 C LEU A 7 -1.929 -4.466 1.106 1.00 0.00 C +ATOM 120 O LEU A 7 -1.324 -5.461 1.502 1.00 0.00 O +ATOM 121 CB LEU A 7 -2.824 -2.903 2.868 1.00 0.00 C +ATOM 122 CG LEU A 7 -2.460 -1.924 4.000 1.00 0.00 C +ATOM 123 CD1 LEU A 7 -3.711 -1.690 4.853 1.00 0.00 C +ATOM 124 CD2 LEU A 7 -1.353 -2.460 4.918 1.00 0.00 C +ATOM 125 H LEU A 7 -2.291 -1.251 0.973 1.00 0.00 H +ATOM 126 HA LEU A 7 -0.757 -3.234 2.349 1.00 0.00 H +ATOM 127 HB2 LEU A 7 -3.682 -2.515 2.354 1.00 0.00 H +ATOM 128 HB3 LEU A 7 -3.076 -3.862 3.324 1.00 0.00 H +ATOM 129 HG LEU A 7 -2.134 -0.976 3.579 1.00 0.00 H +ATOM 130 HD11 LEU A 7 -4.496 -1.248 4.240 1.00 0.00 H +ATOM 131 HD12 LEU A 7 -4.067 -2.637 5.262 1.00 0.00 H +ATOM 132 HD13 LEU A 7 -3.483 -1.016 5.677 1.00 0.00 H +ATOM 133 HD21 LEU A 7 -1.664 -3.401 5.371 1.00 0.00 H +ATOM 134 HD22 LEU A 7 -0.433 -2.614 4.360 1.00 0.00 H +ATOM 135 HD23 LEU A 7 -1.147 -1.735 5.706 1.00 0.00 H +ATOM 136 N LYS A 8 -2.718 -4.492 0.018 1.00 0.00 N +ATOM 137 CA LYS A 8 -2.894 -5.686 -0.829 1.00 0.00 C +ATOM 138 C LYS A 8 -1.564 -6.220 -1.379 1.00 0.00 C +ATOM 139 O LYS A 8 -1.459 -7.409 -1.665 1.00 0.00 O +ATOM 140 CB LYS A 8 -3.864 -5.370 -1.980 1.00 0.00 C +ATOM 141 CG LYS A 8 -4.388 -6.622 -2.718 1.00 0.00 C +ATOM 142 CD LYS A 8 -4.505 -6.437 -4.242 1.00 0.00 C +ATOM 143 CE LYS A 8 -3.209 -6.745 -5.018 1.00 0.00 C +ATOM 144 NZ LYS A 8 -2.118 -5.779 -4.739 1.00 0.00 N +ATOM 145 H LYS A 8 -3.231 -3.643 -0.211 1.00 0.00 H +ATOM 146 HA LYS A 8 -3.325 -6.477 -0.214 1.00 0.00 H +ATOM 147 HB2 LYS A 8 -4.705 -4.839 -1.577 1.00 0.00 H +ATOM 148 HB3 LYS A 8 -3.360 -4.716 -2.685 1.00 0.00 H +ATOM 149 HG2 LYS A 8 -3.715 -7.435 -2.526 1.00 0.00 H +ATOM 150 HG3 LYS A 8 -5.377 -6.849 -2.317 1.00 0.00 H +ATOM 151 HD2 LYS A 8 -5.276 -7.091 -4.602 1.00 0.00 H +ATOM 152 HD3 LYS A 8 -4.855 -5.430 -4.471 1.00 0.00 H +ATOM 153 HE2 LYS A 8 -2.873 -7.727 -4.745 1.00 0.00 H +ATOM 154 HE3 LYS A 8 -3.446 -6.733 -6.086 1.00 0.00 H +ATOM 155 HZ1 LYS A 8 -2.396 -4.819 -4.880 1.00 0.00 H +ATOM 156 HZ2 LYS A 8 -1.774 -5.854 -3.793 1.00 0.00 H +ATOM 157 HZ3 LYS A 8 -1.282 -5.906 -5.304 1.00 0.00 H +ATOM 158 N ASP A 9 -0.551 -5.368 -1.570 1.00 0.00 N +ATOM 159 CA ASP A 9 0.787 -5.808 -1.980 1.00 0.00 C +ATOM 160 C ASP A 9 1.595 -6.452 -0.830 1.00 0.00 C +ATOM 161 O ASP A 9 2.685 -6.970 -1.090 1.00 0.00 O +ATOM 162 CB ASP A 9 1.594 -4.630 -2.566 1.00 0.00 C +ATOM 163 CG ASP A 9 0.973 -3.926 -3.776 1.00 0.00 C +ATOM 164 OD1 ASP A 9 0.255 -4.603 -4.551 1.00 0.00 O +ATOM 165 OD2 ASP A 9 1.306 -2.727 -3.970 1.00 0.00 O +ATOM 166 H ASP A 9 -0.687 -4.388 -1.343 1.00 0.00 H +ATOM 167 HA ASP A 9 0.689 -6.562 -2.762 1.00 0.00 H +ATOM 168 HB2 ASP A 9 1.719 -3.900 -1.790 1.00 0.00 H +ATOM 169 HB3 ASP A 9 2.559 -5.017 -2.894 1.00 0.00 H +ATOM 170 N GLY A 10 1.155 -6.367 0.440 1.00 0.00 N +ATOM 171 CA GLY A 10 1.920 -6.800 1.627 1.00 0.00 C +ATOM 172 C GLY A 10 2.495 -5.666 2.504 1.00 0.00 C +ATOM 173 O GLY A 10 3.323 -5.931 3.387 1.00 0.00 O +ATOM 174 H GLY A 10 0.231 -5.972 0.604 1.00 0.00 H +ATOM 175 HA2 GLY A 10 1.260 -7.399 2.254 1.00 0.00 H +ATOM 176 HA3 GLY A 10 2.750 -7.439 1.326 1.00 0.00 H +ATOM 177 N GLY A 11 2.078 -4.413 2.271 1.00 0.00 N +ATOM 178 CA GLY A 11 2.452 -3.248 3.072 1.00 0.00 C +ATOM 179 C GLY A 11 3.971 -2.986 3.103 1.00 0.00 C +ATOM 180 O GLY A 11 4.593 -2.901 2.043 1.00 0.00 O +ATOM 181 H GLY A 11 1.509 -4.255 1.448 1.00 0.00 H +ATOM 182 HA2 GLY A 11 1.968 -2.368 2.650 1.00 0.00 H +ATOM 183 HA3 GLY A 11 2.064 -3.396 4.078 1.00 0.00 H +ATOM 184 N PRO A 12 4.608 -2.840 4.289 1.00 0.00 N +ATOM 185 CA PRO A 12 6.049 -2.569 4.388 1.00 0.00 C +ATOM 186 C PRO A 12 6.947 -3.622 3.719 1.00 0.00 C +ATOM 187 O PRO A 12 8.100 -3.334 3.404 1.00 0.00 O +ATOM 188 CB PRO A 12 6.365 -2.497 5.887 1.00 0.00 C +ATOM 189 CG PRO A 12 5.019 -2.212 6.546 1.00 0.00 C +ATOM 190 CD PRO A 12 4.017 -2.897 5.618 1.00 0.00 C +ATOM 191 HA PRO A 12 6.252 -1.600 3.932 1.00 0.00 H +ATOM 192 HB2 PRO A 12 6.768 -3.428 6.235 1.00 0.00 H +ATOM 193 HB3 PRO A 12 7.091 -1.712 6.104 1.00 0.00 H +ATOM 194 HG2 PRO A 12 4.978 -2.632 7.532 1.00 0.00 H +ATOM 195 HG3 PRO A 12 4.836 -1.136 6.553 1.00 0.00 H +ATOM 196 HD2 PRO A 12 3.866 -3.916 5.917 1.00 0.00 H +ATOM 197 HD3 PRO A 12 3.061 -2.377 5.665 1.00 0.00 H +ATOM 198 N SER A 13 6.430 -4.838 3.502 1.00 0.00 N +ATOM 199 CA SER A 13 7.167 -5.968 2.930 1.00 0.00 C +ATOM 200 C SER A 13 7.113 -6.043 1.392 1.00 0.00 C +ATOM 201 O SER A 13 7.652 -6.980 0.805 1.00 0.00 O +ATOM 202 CB SER A 13 6.723 -7.269 3.614 1.00 0.00 C +ATOM 203 OG SER A 13 5.376 -7.634 3.349 1.00 0.00 O +ATOM 204 H SER A 13 5.454 -4.968 3.734 1.00 0.00 H +ATOM 205 HA SER A 13 8.222 -5.839 3.177 1.00 0.00 H +ATOM 206 HB2 SER A 13 7.360 -8.063 3.274 1.00 0.00 H +ATOM 207 HB3 SER A 13 6.865 -7.162 4.691 1.00 0.00 H +ATOM 208 HG SER A 13 4.737 -6.918 3.537 1.00 0.00 H +ATOM 209 N SER A 14 6.508 -5.047 0.733 1.00 0.00 N +ATOM 210 CA SER A 14 6.226 -5.028 -0.713 1.00 0.00 C +ATOM 211 C SER A 14 7.223 -4.235 -1.564 1.00 0.00 C +ATOM 212 O SER A 14 7.035 -4.116 -2.774 1.00 0.00 O +ATOM 213 CB SER A 14 4.854 -4.397 -0.935 1.00 0.00 C +ATOM 214 OG SER A 14 3.928 -5.006 -0.081 1.00 0.00 O +ATOM 215 H SER A 14 6.017 -4.350 1.287 1.00 0.00 H +ATOM 216 HA SER A 14 6.196 -6.052 -1.088 1.00 0.00 H +ATOM 217 HB2 SER A 14 4.903 -3.346 -0.722 1.00 0.00 H +ATOM 218 HB3 SER A 14 4.546 -4.527 -1.971 1.00 0.00 H +ATOM 219 HG SER A 14 3.589 -5.837 -0.501 1.00 0.00 H +ATOM 220 N GLY A 15 8.236 -3.613 -0.954 1.00 0.00 N +ATOM 221 CA GLY A 15 9.241 -2.785 -1.634 1.00 0.00 C +ATOM 222 C GLY A 15 8.755 -1.388 -2.056 1.00 0.00 C +ATOM 223 O GLY A 15 9.534 -0.439 -2.013 1.00 0.00 O +ATOM 224 H GLY A 15 8.306 -3.739 0.046 1.00 0.00 H +ATOM 225 HA2 GLY A 15 10.102 -2.664 -0.978 1.00 0.00 H +ATOM 226 HA3 GLY A 15 9.576 -3.308 -2.531 1.00 0.00 H +ATOM 227 N ARG A 16 7.484 -1.243 -2.458 1.00 0.00 N +ATOM 228 CA ARG A 16 6.866 0.043 -2.822 1.00 0.00 C +ATOM 229 C ARG A 16 6.607 0.907 -1.567 1.00 0.00 C +ATOM 230 O ARG A 16 6.048 0.385 -0.598 1.00 0.00 O +ATOM 231 CB ARG A 16 5.566 -0.231 -3.600 1.00 0.00 C +ATOM 232 CG ARG A 16 5.057 1.011 -4.351 1.00 0.00 C +ATOM 233 CD ARG A 16 3.793 0.732 -5.180 1.00 0.00 C +ATOM 234 NE ARG A 16 4.079 -0.101 -6.363 1.00 0.00 N +ATOM 235 CZ ARG A 16 3.877 -1.406 -6.533 1.00 0.00 C +ATOM 236 NH1 ARG A 16 3.266 -2.191 -5.676 1.00 0.00 N +ATOM 237 NH2 ARG A 16 4.308 -1.979 -7.632 1.00 0.00 N +ATOM 238 H ARG A 16 6.937 -2.095 -2.518 1.00 0.00 H +ATOM 239 HA ARG A 16 7.569 0.558 -3.476 1.00 0.00 H +ATOM 240 HB2 ARG A 16 5.749 -1.013 -4.312 1.00 0.00 H +ATOM 241 HB3 ARG A 16 4.793 -0.580 -2.914 1.00 0.00 H +ATOM 242 HG2 ARG A 16 4.834 1.777 -3.634 1.00 0.00 H +ATOM 243 HG3 ARG A 16 5.843 1.374 -5.018 1.00 0.00 H +ATOM 244 HD2 ARG A 16 3.079 0.222 -4.562 1.00 0.00 H +ATOM 245 HD3 ARG A 16 3.407 1.693 -5.529 1.00 0.00 H +ATOM 246 HE ARG A 16 4.530 0.371 -7.128 1.00 0.00 H +ATOM 247 HH11 ARG A 16 2.673 -1.883 -4.893 1.00 0.00 H +ATOM 248 HH12 ARG A 16 3.162 -3.167 -5.861 1.00 0.00 H +ATOM 249 HH21 ARG A 16 4.765 -1.448 -8.350 1.00 0.00 H +ATOM 250 HH22 ARG A 16 4.157 -2.963 -7.759 1.00 0.00 H +ATOM 251 N PRO A 17 6.947 2.213 -1.560 1.00 0.00 N +ATOM 252 CA PRO A 17 6.730 3.085 -0.400 1.00 0.00 C +ATOM 253 C PRO A 17 5.232 3.312 -0.095 1.00 0.00 C +ATOM 254 O PRO A 17 4.400 3.172 -0.996 1.00 0.00 O +ATOM 255 CB PRO A 17 7.438 4.403 -0.744 1.00 0.00 C +ATOM 256 CG PRO A 17 7.414 4.433 -2.270 1.00 0.00 C +ATOM 257 CD PRO A 17 7.583 2.961 -2.635 1.00 0.00 C +ATOM 258 HA PRO A 17 7.208 2.638 0.471 1.00 0.00 H +ATOM 259 HB2 PRO A 17 6.907 5.241 -0.336 1.00 0.00 H +ATOM 260 HB3 PRO A 17 8.472 4.360 -0.399 1.00 0.00 H +ATOM 261 HG2 PRO A 17 6.481 4.818 -2.635 1.00 0.00 H +ATOM 262 HG3 PRO A 17 8.216 5.048 -2.679 1.00 0.00 H +ATOM 263 HD2 PRO A 17 7.104 2.750 -3.572 1.00 0.00 H +ATOM 264 HD3 PRO A 17 8.643 2.709 -2.673 1.00 0.00 H +ATOM 265 N PRO A 18 4.878 3.687 1.151 1.00 0.00 N +ATOM 266 CA PRO A 18 3.495 3.929 1.554 1.00 0.00 C +ATOM 267 C PRO A 18 2.938 5.209 0.903 1.00 0.00 C +ATOM 268 O PRO A 18 3.617 6.239 0.913 1.00 0.00 O +ATOM 269 CB PRO A 18 3.524 4.048 3.081 1.00 0.00 C +ATOM 270 CG PRO A 18 4.937 4.549 3.376 1.00 0.00 C +ATOM 271 CD PRO A 18 5.775 3.886 2.283 1.00 0.00 C +ATOM 272 HA PRO A 18 2.889 3.069 1.280 1.00 0.00 H +ATOM 273 HB2 PRO A 18 2.789 4.750 3.425 1.00 0.00 H +ATOM 274 HB3 PRO A 18 3.390 3.061 3.527 1.00 0.00 H +ATOM 275 HG2 PRO A 18 4.989 5.618 3.306 1.00 0.00 H +ATOM 276 HG3 PRO A 18 5.272 4.261 4.373 1.00 0.00 H +ATOM 277 HD2 PRO A 18 6.593 4.522 2.003 1.00 0.00 H +ATOM 278 HD3 PRO A 18 6.135 2.918 2.635 1.00 0.00 H +ATOM 279 N PRO A 19 1.706 5.185 0.359 1.00 0.00 N +ATOM 280 CA PRO A 19 1.071 6.373 -0.198 1.00 0.00 C +ATOM 281 C PRO A 19 0.534 7.279 0.922 1.00 0.00 C +ATOM 282 O PRO A 19 0.005 6.793 1.925 1.00 0.00 O +ATOM 283 CB PRO A 19 -0.043 5.831 -1.093 1.00 0.00 C +ATOM 284 CG PRO A 19 -0.475 4.546 -0.383 1.00 0.00 C +ATOM 285 CD PRO A 19 0.817 4.036 0.254 1.00 0.00 C +ATOM 286 HA PRO A 19 1.785 6.932 -0.806 1.00 0.00 H +ATOM 287 HB2 PRO A 19 -0.857 6.527 -1.157 1.00 0.00 H +ATOM 288 HB3 PRO A 19 0.371 5.580 -2.071 1.00 0.00 H +ATOM 289 HG2 PRO A 19 -1.216 4.752 0.365 1.00 0.00 H +ATOM 290 HG3 PRO A 19 -0.885 3.819 -1.084 1.00 0.00 H +ATOM 291 HD2 PRO A 19 0.616 3.632 1.228 1.00 0.00 H +ATOM 292 HD3 PRO A 19 1.276 3.286 -0.389 1.00 0.00 H +ATOM 293 N SER A 20 0.660 8.597 0.722 1.00 0.00 N +ATOM 294 CA SER A 20 0.150 9.654 1.607 1.00 0.00 C +ATOM 295 C SER A 20 -1.110 10.284 1.016 1.00 0.00 C +ATOM 296 O SER A 20 -2.094 10.380 1.786 1.00 0.00 O +ATOM 297 CB SER A 20 1.248 10.701 1.823 1.00 0.00 C +ATOM 298 OG SER A 20 0.910 11.534 2.908 1.00 0.00 O +ATOM 299 OXT SER A 20 -1.067 10.639 -0.179 1.00 0.00 O +ATOM 300 H SER A 20 1.051 8.910 -0.152 1.00 0.00 H +ATOM 301 HA SER A 20 -0.125 9.214 2.563 1.00 0.00 H +ATOM 302 HB2 SER A 20 2.177 10.205 2.031 1.00 0.00 H +ATOM 303 HB3 SER A 20 1.371 11.300 0.918 1.00 0.00 H +ATOM 304 HG SER A 20 0.272 11.069 3.455 1.00 0.00 H +TER 305 SER A 20 +ENDMDL +MODEL 14 +ATOM 1 N ASN A 1 -6.401 7.662 -1.132 1.00 0.00 N +ATOM 2 CA ASN A 1 -7.275 6.470 -1.269 1.00 0.00 C +ATOM 3 C ASN A 1 -6.573 5.259 -1.924 1.00 0.00 C +ATOM 4 O ASN A 1 -7.244 4.408 -2.495 1.00 0.00 O +ATOM 5 CB ASN A 1 -8.588 6.852 -1.993 1.00 0.00 C +ATOM 6 CG ASN A 1 -9.793 6.163 -1.354 1.00 0.00 C +ATOM 7 OD1 ASN A 1 -9.671 5.136 -0.706 1.00 0.00 O +ATOM 8 ND2 ASN A 1 -10.977 6.741 -1.450 1.00 0.00 N +ATOM 9 H1 ASN A 1 -5.636 7.473 -0.499 1.00 0.00 H +ATOM 10 H2 ASN A 1 -6.040 7.938 -2.035 1.00 0.00 H +ATOM 11 H3 ASN A 1 -6.938 8.429 -0.749 1.00 0.00 H +ATOM 12 HA ASN A 1 -7.560 6.149 -0.264 1.00 0.00 H +ATOM 13 HB2 ASN A 1 -8.722 7.915 -1.937 1.00 0.00 H +ATOM 14 HB3 ASN A 1 -8.537 6.586 -3.050 1.00 0.00 H +ATOM 15 HD21 ASN A 1 -11.144 7.601 -1.945 1.00 0.00 H +ATOM 16 HD22 ASN A 1 -11.719 6.237 -0.991 1.00 0.00 H +ATOM 17 N LEU A 2 -5.236 5.147 -1.843 1.00 0.00 N +ATOM 18 CA LEU A 2 -4.460 4.057 -2.472 1.00 0.00 C +ATOM 19 C LEU A 2 -3.853 3.067 -1.460 1.00 0.00 C +ATOM 20 O LEU A 2 -3.274 2.048 -1.840 1.00 0.00 O +ATOM 21 CB LEU A 2 -3.389 4.680 -3.399 1.00 0.00 C +ATOM 22 CG LEU A 2 -3.705 4.592 -4.905 1.00 0.00 C +ATOM 23 CD1 LEU A 2 -3.639 3.147 -5.409 1.00 0.00 C +ATOM 24 CD2 LEU A 2 -5.061 5.208 -5.270 1.00 0.00 C +ATOM 25 H LEU A 2 -4.672 5.849 -1.391 1.00 0.00 H +ATOM 26 HA LEU A 2 -5.127 3.449 -3.079 1.00 0.00 H +ATOM 27 HB2 LEU A 2 -3.286 5.716 -3.140 1.00 0.00 H +ATOM 28 HB3 LEU A 2 -2.429 4.188 -3.232 1.00 0.00 H +ATOM 29 HG LEU A 2 -2.935 5.159 -5.430 1.00 0.00 H +ATOM 30 HD11 LEU A 2 -2.666 2.717 -5.172 1.00 0.00 H +ATOM 31 HD12 LEU A 2 -4.417 2.537 -4.955 1.00 0.00 H +ATOM 32 HD13 LEU A 2 -3.774 3.127 -6.492 1.00 0.00 H +ATOM 33 HD21 LEU A 2 -5.877 4.592 -4.894 1.00 0.00 H +ATOM 34 HD22 LEU A 2 -5.138 6.211 -4.856 1.00 0.00 H +ATOM 35 HD23 LEU A 2 -5.148 5.268 -6.356 1.00 0.00 H +ATOM 36 N TYR A 3 -4.027 3.341 -0.163 1.00 0.00 N +ATOM 37 CA TYR A 3 -3.458 2.567 0.937 1.00 0.00 C +ATOM 38 C TYR A 3 -3.944 1.109 0.964 1.00 0.00 C +ATOM 39 O TYR A 3 -3.174 0.216 1.296 1.00 0.00 O +ATOM 40 CB TYR A 3 -3.759 3.287 2.260 1.00 0.00 C +ATOM 41 CG TYR A 3 -2.564 3.330 3.186 1.00 0.00 C +ATOM 42 CD1 TYR A 3 -2.297 2.234 4.021 1.00 0.00 C +ATOM 43 CD2 TYR A 3 -1.713 4.454 3.196 1.00 0.00 C +ATOM 44 CE1 TYR A 3 -1.182 2.255 4.876 1.00 0.00 C +ATOM 45 CE2 TYR A 3 -0.605 4.489 4.064 1.00 0.00 C +ATOM 46 CZ TYR A 3 -0.339 3.386 4.907 1.00 0.00 C +ATOM 47 OH TYR A 3 0.697 3.407 5.788 1.00 0.00 O +ATOM 48 H TYR A 3 -4.543 4.171 0.073 1.00 0.00 H +ATOM 49 HA TYR A 3 -2.375 2.545 0.801 1.00 0.00 H +ATOM 50 HB2 TYR A 3 -4.061 4.293 2.042 1.00 0.00 H +ATOM 51 HB3 TYR A 3 -4.593 2.797 2.766 1.00 0.00 H +ATOM 52 HD1 TYR A 3 -2.954 1.378 4.007 1.00 0.00 H +ATOM 53 HD2 TYR A 3 -1.904 5.298 2.546 1.00 0.00 H +ATOM 54 HE1 TYR A 3 -0.969 1.423 5.532 1.00 0.00 H +ATOM 55 HE2 TYR A 3 0.032 5.362 4.078 1.00 0.00 H +ATOM 56 HH TYR A 3 0.695 4.212 6.308 1.00 0.00 H +ATOM 57 N ILE A 4 -5.199 0.862 0.556 1.00 0.00 N +ATOM 58 CA ILE A 4 -5.795 -0.478 0.440 1.00 0.00 C +ATOM 59 C ILE A 4 -4.969 -1.337 -0.529 1.00 0.00 C +ATOM 60 O ILE A 4 -4.571 -2.450 -0.193 1.00 0.00 O +ATOM 61 CB ILE A 4 -7.277 -0.384 -0.008 1.00 0.00 C +ATOM 62 CG1 ILE A 4 -8.120 0.501 0.945 1.00 0.00 C +ATOM 63 CG2 ILE A 4 -7.894 -1.795 -0.096 1.00 0.00 C +ATOM 64 CD1 ILE A 4 -9.475 0.918 0.356 1.00 0.00 C +ATOM 65 H ILE A 4 -5.761 1.657 0.298 1.00 0.00 H +ATOM 66 HA ILE A 4 -5.759 -0.960 1.418 1.00 0.00 H +ATOM 67 HB ILE A 4 -7.306 0.064 -1.002 1.00 0.00 H +ATOM 68 HG12 ILE A 4 -8.297 -0.048 1.850 1.00 0.00 H +ATOM 69 HG13 ILE A 4 -7.586 1.423 1.167 1.00 0.00 H +ATOM 70 HG21 ILE A 4 -7.385 -2.392 -0.852 1.00 0.00 H +ATOM 71 HG22 ILE A 4 -7.817 -2.302 0.867 1.00 0.00 H +ATOM 72 HG23 ILE A 4 -8.945 -1.739 -0.379 1.00 0.00 H +ATOM 73 HD11 ILE A 4 -9.330 1.364 -0.631 1.00 0.00 H +ATOM 74 HD12 ILE A 4 -10.141 0.060 0.274 1.00 0.00 H +ATOM 75 HD13 ILE A 4 -9.939 1.657 1.008 1.00 0.00 H +ATOM 76 N GLN A 5 -4.685 -0.803 -1.722 1.00 0.00 N +ATOM 77 CA GLN A 5 -3.904 -1.463 -2.769 1.00 0.00 C +ATOM 78 C GLN A 5 -2.453 -1.702 -2.326 1.00 0.00 C +ATOM 79 O GLN A 5 -1.920 -2.790 -2.539 1.00 0.00 O +ATOM 80 CB GLN A 5 -3.995 -0.617 -4.058 1.00 0.00 C +ATOM 81 CG GLN A 5 -4.421 -1.431 -5.294 1.00 0.00 C +ATOM 82 CD GLN A 5 -5.350 -0.621 -6.194 1.00 0.00 C +ATOM 83 OE1 GLN A 5 -4.942 0.305 -6.876 1.00 0.00 O +ATOM 84 NE2 GLN A 5 -6.636 -0.921 -6.208 1.00 0.00 N +ATOM 85 H GLN A 5 -4.991 0.144 -1.894 1.00 0.00 H +ATOM 86 HA GLN A 5 -4.348 -2.442 -2.942 1.00 0.00 H +ATOM 87 HB2 GLN A 5 -4.713 0.165 -3.902 1.00 0.00 H +ATOM 88 HB3 GLN A 5 -3.039 -0.132 -4.264 1.00 0.00 H +ATOM 89 HG2 GLN A 5 -3.546 -1.706 -5.851 1.00 0.00 H +ATOM 90 HG3 GLN A 5 -4.941 -2.342 -4.994 1.00 0.00 H +ATOM 91 HE21 GLN A 5 -7.025 -1.675 -5.669 1.00 0.00 H +ATOM 92 HE22 GLN A 5 -7.188 -0.340 -6.815 1.00 0.00 H +ATOM 93 N TRP A 6 -1.834 -0.719 -1.658 1.00 0.00 N +ATOM 94 CA TRP A 6 -0.498 -0.859 -1.070 1.00 0.00 C +ATOM 95 C TRP A 6 -0.433 -1.932 0.032 1.00 0.00 C +ATOM 96 O TRP A 6 0.497 -2.744 0.055 1.00 0.00 O +ATOM 97 CB TRP A 6 -0.042 0.505 -0.544 1.00 0.00 C +ATOM 98 CG TRP A 6 1.340 0.516 0.026 1.00 0.00 C +ATOM 99 CD1 TRP A 6 2.480 0.543 -0.699 1.00 0.00 C +ATOM 100 CD2 TRP A 6 1.754 0.502 1.428 1.00 0.00 C +ATOM 101 NE1 TRP A 6 3.565 0.518 0.155 1.00 0.00 N +ATOM 102 CE2 TRP A 6 3.179 0.507 1.471 1.00 0.00 C +ATOM 103 CE3 TRP A 6 1.081 0.494 2.669 1.00 0.00 C +ATOM 104 CZ2 TRP A 6 3.905 0.515 2.669 1.00 0.00 C +ATOM 105 CZ3 TRP A 6 1.798 0.487 3.882 1.00 0.00 C +ATOM 106 CH2 TRP A 6 3.205 0.501 3.885 1.00 0.00 C +ATOM 107 H TRP A 6 -2.329 0.162 -1.554 1.00 0.00 H +ATOM 108 HA TRP A 6 0.193 -1.170 -1.855 1.00 0.00 H +ATOM 109 HB2 TRP A 6 -0.076 1.206 -1.355 1.00 0.00 H +ATOM 110 HB3 TRP A 6 -0.737 0.847 0.222 1.00 0.00 H +ATOM 111 HD1 TRP A 6 2.524 0.581 -1.779 1.00 0.00 H +ATOM 112 HE1 TRP A 6 4.549 0.548 -0.121 1.00 0.00 H +ATOM 113 HE3 TRP A 6 0.001 0.500 2.681 1.00 0.00 H +ATOM 114 HZ2 TRP A 6 4.985 0.520 2.640 1.00 0.00 H +ATOM 115 HZ3 TRP A 6 1.267 0.489 4.823 1.00 0.00 H +ATOM 116 HH2 TRP A 6 3.747 0.509 4.821 1.00 0.00 H +ATOM 117 N LEU A 7 -1.429 -1.970 0.928 1.00 0.00 N +ATOM 118 CA LEU A 7 -1.563 -3.019 1.940 1.00 0.00 C +ATOM 119 C LEU A 7 -1.832 -4.398 1.325 1.00 0.00 C +ATOM 120 O LEU A 7 -1.302 -5.380 1.840 1.00 0.00 O +ATOM 121 CB LEU A 7 -2.671 -2.661 2.946 1.00 0.00 C +ATOM 122 CG LEU A 7 -2.287 -1.567 3.960 1.00 0.00 C +ATOM 123 CD1 LEU A 7 -3.511 -1.233 4.821 1.00 0.00 C +ATOM 124 CD2 LEU A 7 -1.148 -1.999 4.892 1.00 0.00 C +ATOM 125 H LEU A 7 -2.136 -1.238 0.898 1.00 0.00 H +ATOM 126 HA LEU A 7 -0.618 -3.107 2.473 1.00 0.00 H +ATOM 127 HB2 LEU A 7 -3.527 -2.321 2.395 1.00 0.00 H +ATOM 128 HB3 LEU A 7 -2.940 -3.558 3.506 1.00 0.00 H +ATOM 129 HG LEU A 7 -1.976 -0.668 3.433 1.00 0.00 H +ATOM 130 HD11 LEU A 7 -4.316 -0.864 4.185 1.00 0.00 H +ATOM 131 HD12 LEU A 7 -3.850 -2.123 5.351 1.00 0.00 H +ATOM 132 HD13 LEU A 7 -3.257 -0.464 5.550 1.00 0.00 H +ATOM 133 HD21 LEU A 7 -1.377 -2.965 5.340 1.00 0.00 H +ATOM 134 HD22 LEU A 7 -0.217 -2.069 4.334 1.00 0.00 H +ATOM 135 HD23 LEU A 7 -1.013 -1.260 5.680 1.00 0.00 H +ATOM 136 N LYS A 8 -2.599 -4.488 0.226 1.00 0.00 N +ATOM 137 CA LYS A 8 -2.976 -5.755 -0.427 1.00 0.00 C +ATOM 138 C LYS A 8 -1.777 -6.638 -0.783 1.00 0.00 C +ATOM 139 O LYS A 8 -1.856 -7.858 -0.664 1.00 0.00 O +ATOM 140 CB LYS A 8 -3.803 -5.465 -1.696 1.00 0.00 C +ATOM 141 CG LYS A 8 -4.622 -6.677 -2.165 1.00 0.00 C +ATOM 142 CD LYS A 8 -5.863 -6.886 -1.280 1.00 0.00 C +ATOM 143 CE LYS A 8 -6.602 -8.185 -1.607 1.00 0.00 C +ATOM 144 NZ LYS A 8 -5.801 -9.379 -1.240 1.00 0.00 N +ATOM 145 H LYS A 8 -3.048 -3.631 -0.094 1.00 0.00 H +ATOM 146 HA LYS A 8 -3.571 -6.320 0.286 1.00 0.00 H +ATOM 147 HB2 LYS A 8 -4.477 -4.656 -1.488 1.00 0.00 H +ATOM 148 HB3 LYS A 8 -3.125 -5.174 -2.502 1.00 0.00 H +ATOM 149 HG2 LYS A 8 -4.937 -6.516 -3.178 1.00 0.00 H +ATOM 150 HG3 LYS A 8 -3.995 -7.568 -2.162 1.00 0.00 H +ATOM 151 HD2 LYS A 8 -5.553 -6.915 -0.253 1.00 0.00 H +ATOM 152 HD3 LYS A 8 -6.542 -6.046 -1.435 1.00 0.00 H +ATOM 153 HE2 LYS A 8 -7.527 -8.206 -1.063 1.00 0.00 H +ATOM 154 HE3 LYS A 8 -6.842 -8.200 -2.674 1.00 0.00 H +ATOM 155 HZ1 LYS A 8 -4.958 -9.420 -1.800 1.00 0.00 H +ATOM 156 HZ2 LYS A 8 -5.526 -9.332 -0.267 1.00 0.00 H +ATOM 157 HZ3 LYS A 8 -6.335 -10.225 -1.388 1.00 0.00 H +ATOM 158 N ASP A 9 -0.693 -6.000 -1.216 1.00 0.00 N +ATOM 159 CA ASP A 9 0.577 -6.608 -1.609 1.00 0.00 C +ATOM 160 C ASP A 9 1.501 -6.893 -0.404 1.00 0.00 C +ATOM 161 O ASP A 9 2.502 -7.590 -0.554 1.00 0.00 O +ATOM 162 CB ASP A 9 1.191 -5.620 -2.609 1.00 0.00 C +ATOM 163 CG ASP A 9 2.246 -6.195 -3.544 1.00 0.00 C +ATOM 164 OD1 ASP A 9 1.842 -6.848 -4.529 1.00 0.00 O +ATOM 165 OD2 ASP A 9 3.401 -5.726 -3.445 1.00 0.00 O +ATOM 166 H ASP A 9 -0.773 -4.997 -1.309 1.00 0.00 H +ATOM 167 HA ASP A 9 0.386 -7.552 -2.122 1.00 0.00 H +ATOM 168 HB2 ASP A 9 0.396 -5.225 -3.212 1.00 0.00 H +ATOM 169 HB3 ASP A 9 1.601 -4.770 -2.070 1.00 0.00 H +ATOM 170 N GLY A 10 1.138 -6.413 0.799 1.00 0.00 N +ATOM 171 CA GLY A 10 1.851 -6.634 2.059 1.00 0.00 C +ATOM 172 C GLY A 10 2.515 -5.385 2.659 1.00 0.00 C +ATOM 173 O GLY A 10 3.469 -5.523 3.433 1.00 0.00 O +ATOM 174 H GLY A 10 0.235 -5.953 0.859 1.00 0.00 H +ATOM 175 HA2 GLY A 10 1.135 -7.004 2.792 1.00 0.00 H +ATOM 176 HA3 GLY A 10 2.606 -7.406 1.922 1.00 0.00 H +ATOM 177 N GLY A 11 2.037 -4.182 2.311 1.00 0.00 N +ATOM 178 CA GLY A 11 2.491 -2.882 2.819 1.00 0.00 C +ATOM 179 C GLY A 11 4.020 -2.705 2.788 1.00 0.00 C +ATOM 180 O GLY A 11 4.574 -2.593 1.694 1.00 0.00 O +ATOM 181 H GLY A 11 1.318 -4.166 1.598 1.00 0.00 H +ATOM 182 HA2 GLY A 11 2.060 -2.105 2.191 1.00 0.00 H +ATOM 183 HA3 GLY A 11 2.102 -2.739 3.824 1.00 0.00 H +ATOM 184 N PRO A 12 4.730 -2.700 3.937 1.00 0.00 N +ATOM 185 CA PRO A 12 6.196 -2.624 3.971 1.00 0.00 C +ATOM 186 C PRO A 12 6.905 -3.715 3.153 1.00 0.00 C +ATOM 187 O PRO A 12 8.004 -3.490 2.653 1.00 0.00 O +ATOM 188 CB PRO A 12 6.587 -2.742 5.450 1.00 0.00 C +ATOM 189 CG PRO A 12 5.333 -2.306 6.202 1.00 0.00 C +ATOM 190 CD PRO A 12 4.199 -2.770 5.292 1.00 0.00 C +ATOM 191 HA PRO A 12 6.504 -1.647 3.594 1.00 0.00 H +ATOM 192 HB2 PRO A 12 6.846 -3.754 5.696 1.00 0.00 H +ATOM 193 HB3 PRO A 12 7.442 -2.107 5.689 1.00 0.00 H +ATOM 194 HG2 PRO A 12 5.275 -2.782 7.162 1.00 0.00 H +ATOM 195 HG3 PRO A 12 5.315 -1.219 6.283 1.00 0.00 H +ATOM 196 HD2 PRO A 12 3.915 -3.777 5.531 1.00 0.00 H +ATOM 197 HD3 PRO A 12 3.335 -2.119 5.426 1.00 0.00 H +ATOM 198 N SER A 13 6.277 -4.888 3.002 1.00 0.00 N +ATOM 199 CA SER A 13 6.825 -6.021 2.248 1.00 0.00 C +ATOM 200 C SER A 13 6.595 -5.934 0.728 1.00 0.00 C +ATOM 201 O SER A 13 7.075 -6.791 -0.007 1.00 0.00 O +ATOM 202 CB SER A 13 6.342 -7.350 2.853 1.00 0.00 C +ATOM 203 OG SER A 13 4.946 -7.537 2.785 1.00 0.00 O +ATOM 204 H SER A 13 5.343 -4.969 3.391 1.00 0.00 H +ATOM 205 HA SER A 13 7.908 -6.013 2.377 1.00 0.00 H +ATOM 206 HB2 SER A 13 6.816 -8.154 2.324 1.00 0.00 H +ATOM 207 HB3 SER A 13 6.647 -7.388 3.900 1.00 0.00 H +ATOM 208 HG SER A 13 4.461 -6.757 3.136 1.00 0.00 H +ATOM 209 N SER A 14 5.937 -4.870 0.241 1.00 0.00 N +ATOM 210 CA SER A 14 5.582 -4.659 -1.171 1.00 0.00 C +ATOM 211 C SER A 14 6.709 -4.075 -2.046 1.00 0.00 C +ATOM 212 O SER A 14 6.506 -3.867 -3.240 1.00 0.00 O +ATOM 213 CB SER A 14 4.394 -3.697 -1.249 1.00 0.00 C +ATOM 214 OG SER A 14 3.342 -4.095 -0.399 1.00 0.00 O +ATOM 215 H SER A 14 5.543 -4.204 0.899 1.00 0.00 H +ATOM 216 HA SER A 14 5.276 -5.613 -1.607 1.00 0.00 H +ATOM 217 HB2 SER A 14 4.721 -2.717 -0.961 1.00 0.00 H +ATOM 218 HB3 SER A 14 4.025 -3.661 -2.271 1.00 0.00 H +ATOM 219 HG SER A 14 2.975 -3.313 0.029 1.00 0.00 H +ATOM 220 N GLY A 15 7.873 -3.737 -1.470 1.00 0.00 N +ATOM 221 CA GLY A 15 8.999 -3.132 -2.201 1.00 0.00 C +ATOM 222 C GLY A 15 8.848 -1.633 -2.516 1.00 0.00 C +ATOM 223 O GLY A 15 9.535 -1.130 -3.401 1.00 0.00 O +ATOM 224 H GLY A 15 7.986 -3.973 -0.495 1.00 0.00 H +ATOM 225 HA2 GLY A 15 9.912 -3.262 -1.623 1.00 0.00 H +ATOM 226 HA3 GLY A 15 9.130 -3.657 -3.149 1.00 0.00 H +ATOM 227 N ARG A 16 7.939 -0.924 -1.830 1.00 0.00 N +ATOM 228 CA ARG A 16 7.559 0.475 -2.105 1.00 0.00 C +ATOM 229 C ARG A 16 7.032 1.175 -0.838 1.00 0.00 C +ATOM 230 O ARG A 16 6.351 0.518 -0.047 1.00 0.00 O +ATOM 231 CB ARG A 16 6.517 0.515 -3.247 1.00 0.00 C +ATOM 232 CG ARG A 16 5.357 -0.489 -3.097 1.00 0.00 C +ATOM 233 CD ARG A 16 4.496 -0.583 -4.360 1.00 0.00 C +ATOM 234 NE ARG A 16 3.700 -1.826 -4.349 1.00 0.00 N +ATOM 235 CZ ARG A 16 3.398 -2.606 -5.380 1.00 0.00 C +ATOM 236 NH1 ARG A 16 3.636 -2.252 -6.620 1.00 0.00 N +ATOM 237 NH2 ARG A 16 2.850 -3.774 -5.180 1.00 0.00 N +ATOM 238 H ARG A 16 7.441 -1.405 -1.093 1.00 0.00 H +ATOM 239 HA ARG A 16 8.452 1.000 -2.443 1.00 0.00 H +ATOM 240 HB2 ARG A 16 6.101 1.503 -3.285 1.00 0.00 H +ATOM 241 HB3 ARG A 16 7.040 0.296 -4.178 1.00 0.00 H +ATOM 242 HG2 ARG A 16 5.766 -1.458 -2.886 1.00 0.00 H +ATOM 243 HG3 ARG A 16 4.736 -0.217 -2.247 1.00 0.00 H +ATOM 244 HD2 ARG A 16 3.834 0.260 -4.400 1.00 0.00 H +ATOM 245 HD3 ARG A 16 5.162 -0.588 -5.225 1.00 0.00 H +ATOM 246 HE ARG A 16 3.410 -2.188 -3.456 1.00 0.00 H +ATOM 247 HH11 ARG A 16 4.099 -1.379 -6.787 1.00 0.00 H +ATOM 248 HH12 ARG A 16 3.425 -2.883 -7.370 1.00 0.00 H +ATOM 249 HH21 ARG A 16 3.013 -4.274 -4.292 1.00 0.00 H +ATOM 250 HH22 ARG A 16 2.589 -4.386 -5.930 1.00 0.00 H +ATOM 251 N PRO A 17 7.296 2.484 -0.642 1.00 0.00 N +ATOM 252 CA PRO A 17 6.862 3.230 0.546 1.00 0.00 C +ATOM 253 C PRO A 17 5.336 3.464 0.578 1.00 0.00 C +ATOM 254 O PRO A 17 4.676 3.310 -0.454 1.00 0.00 O +ATOM 255 CB PRO A 17 7.636 4.555 0.478 1.00 0.00 C +ATOM 256 CG PRO A 17 7.830 4.776 -1.020 1.00 0.00 C +ATOM 257 CD PRO A 17 8.034 3.357 -1.545 1.00 0.00 C +ATOM 258 HA PRO A 17 7.157 2.685 1.444 1.00 0.00 H +ATOM 259 HB2 PRO A 17 7.068 5.354 0.914 1.00 0.00 H +ATOM 260 HB3 PRO A 17 8.609 4.434 0.956 1.00 0.00 H +ATOM 261 HG2 PRO A 17 6.963 5.230 -1.460 1.00 0.00 H +ATOM 262 HG3 PRO A 17 8.689 5.414 -1.228 1.00 0.00 H +ATOM 263 HD2 PRO A 17 7.651 3.270 -2.543 1.00 0.00 H +ATOM 264 HD3 PRO A 17 9.094 3.104 -1.509 1.00 0.00 H +ATOM 265 N PRO A 18 4.762 3.851 1.737 1.00 0.00 N +ATOM 266 CA PRO A 18 3.324 4.085 1.879 1.00 0.00 C +ATOM 267 C PRO A 18 2.832 5.288 1.045 1.00 0.00 C +ATOM 268 O PRO A 18 3.507 6.319 1.003 1.00 0.00 O +ATOM 269 CB PRO A 18 3.085 4.299 3.378 1.00 0.00 C +ATOM 270 CG PRO A 18 4.437 4.766 3.908 1.00 0.00 C +ATOM 271 CD PRO A 18 5.429 4.018 3.023 1.00 0.00 C +ATOM 272 HA PRO A 18 2.803 3.182 1.576 1.00 0.00 H +ATOM 273 HB2 PRO A 18 2.333 5.047 3.541 1.00 0.00 H +ATOM 274 HB3 PRO A 18 2.823 3.348 3.843 1.00 0.00 H +ATOM 275 HG2 PRO A 18 4.548 5.828 3.800 1.00 0.00 H +ATOM 276 HG3 PRO A 18 4.568 4.519 4.962 1.00 0.00 H +ATOM 277 HD2 PRO A 18 6.330 4.589 2.906 1.00 0.00 H +ATOM 278 HD3 PRO A 18 5.634 3.036 3.452 1.00 0.00 H +ATOM 279 N PRO A 19 1.660 5.185 0.385 1.00 0.00 N +ATOM 280 CA PRO A 19 1.102 6.250 -0.443 1.00 0.00 C +ATOM 281 C PRO A 19 0.321 7.283 0.390 1.00 0.00 C +ATOM 282 O PRO A 19 -0.811 7.023 0.804 1.00 0.00 O +ATOM 283 CB PRO A 19 0.206 5.530 -1.455 1.00 0.00 C +ATOM 284 CG PRO A 19 -0.321 4.332 -0.664 1.00 0.00 C +ATOM 285 CD PRO A 19 0.850 3.979 0.253 1.00 0.00 C +ATOM 286 HA PRO A 19 1.900 6.759 -0.984 1.00 0.00 H +ATOM 287 HB2 PRO A 19 -0.598 6.163 -1.776 1.00 0.00 H +ATOM 288 HB3 PRO A 19 0.818 5.174 -2.286 1.00 0.00 H +ATOM 289 HG2 PRO A 19 -1.190 4.599 -0.094 1.00 0.00 H +ATOM 290 HG3 PRO A 19 -0.584 3.506 -1.323 1.00 0.00 H +ATOM 291 HD2 PRO A 19 0.487 3.671 1.214 1.00 0.00 H +ATOM 292 HD3 PRO A 19 1.451 3.202 -0.216 1.00 0.00 H +ATOM 293 N SER A 20 0.922 8.471 0.555 1.00 0.00 N +ATOM 294 CA SER A 20 0.386 9.673 1.224 1.00 0.00 C +ATOM 295 C SER A 20 0.416 9.627 2.763 1.00 0.00 C +ATOM 296 O SER A 20 1.001 8.684 3.339 1.00 0.00 O +ATOM 297 CB SER A 20 -1.018 10.026 0.706 1.00 0.00 C +ATOM 298 OG SER A 20 -1.373 11.233 1.334 1.00 0.00 O +ATOM 299 OXT SER A 20 -0.165 10.594 3.315 1.00 0.00 O +ATOM 300 H SER A 20 1.888 8.511 0.265 1.00 0.00 H +ATOM 301 HA SER A 20 1.034 10.508 0.958 1.00 0.00 H +ATOM 302 HB2 SER A 20 -1.001 10.151 -0.360 1.00 0.00 H +ATOM 303 HB3 SER A 20 -1.730 9.255 1.002 1.00 0.00 H +ATOM 304 HG SER A 20 -0.935 11.116 2.254 1.00 0.00 H +TER 305 SER A 20 +ENDMDL +MODEL 15 +ATOM 1 N ASN A 1 -5.555 8.004 -1.532 1.00 0.00 N +ATOM 2 CA ASN A 1 -6.571 6.932 -1.361 1.00 0.00 C +ATOM 3 C ASN A 1 -6.105 5.544 -1.850 1.00 0.00 C +ATOM 4 O ASN A 1 -6.936 4.715 -2.200 1.00 0.00 O +ATOM 5 CB ASN A 1 -7.897 7.340 -2.038 1.00 0.00 C +ATOM 6 CG ASN A 1 -9.071 6.615 -1.385 1.00 0.00 C +ATOM 7 OD1 ASN A 1 -9.297 6.771 -0.197 1.00 0.00 O +ATOM 8 ND2 ASN A 1 -9.821 5.802 -2.107 1.00 0.00 N +ATOM 9 H1 ASN A 1 -4.747 7.831 -0.949 1.00 0.00 H +ATOM 10 H2 ASN A 1 -5.271 8.069 -2.500 1.00 0.00 H +ATOM 11 H3 ASN A 1 -5.951 8.893 -1.252 1.00 0.00 H +ATOM 12 HA ASN A 1 -6.784 6.837 -0.294 1.00 0.00 H +ATOM 13 HB2 ASN A 1 -8.035 8.399 -1.937 1.00 0.00 H +ATOM 14 HB3 ASN A 1 -7.861 7.128 -3.108 1.00 0.00 H +ATOM 15 HD21 ASN A 1 -9.603 5.565 -3.060 1.00 0.00 H +ATOM 16 HD22 ASN A 1 -10.562 5.348 -1.598 1.00 0.00 H +ATOM 17 N LEU A 2 -4.794 5.254 -1.881 1.00 0.00 N +ATOM 18 CA LEU A 2 -4.259 3.990 -2.422 1.00 0.00 C +ATOM 19 C LEU A 2 -3.783 3.017 -1.328 1.00 0.00 C +ATOM 20 O LEU A 2 -3.304 1.928 -1.638 1.00 0.00 O +ATOM 21 CB LEU A 2 -3.148 4.316 -3.442 1.00 0.00 C +ATOM 22 CG LEU A 2 -3.647 5.049 -4.702 1.00 0.00 C +ATOM 23 CD1 LEU A 2 -2.468 5.586 -5.520 1.00 0.00 C +ATOM 24 CD2 LEU A 2 -4.488 4.133 -5.599 1.00 0.00 C +ATOM 25 H LEU A 2 -4.097 5.917 -1.583 1.00 0.00 H +ATOM 26 HA LEU A 2 -5.044 3.453 -2.954 1.00 0.00 H +ATOM 27 HB2 LEU A 2 -2.418 4.936 -2.958 1.00 0.00 H +ATOM 28 HB3 LEU A 2 -2.649 3.395 -3.748 1.00 0.00 H +ATOM 29 HG LEU A 2 -4.253 5.904 -4.403 1.00 0.00 H +ATOM 30 HD11 LEU A 2 -1.705 6.004 -4.864 1.00 0.00 H +ATOM 31 HD12 LEU A 2 -2.024 4.789 -6.119 1.00 0.00 H +ATOM 32 HD13 LEU A 2 -2.821 6.376 -6.183 1.00 0.00 H +ATOM 33 HD21 LEU A 2 -3.921 3.235 -5.845 1.00 0.00 H +ATOM 34 HD22 LEU A 2 -5.413 3.854 -5.094 1.00 0.00 H +ATOM 35 HD23 LEU A 2 -4.743 4.655 -6.521 1.00 0.00 H +ATOM 36 N TYR A 3 -3.936 3.389 -0.051 1.00 0.00 N +ATOM 37 CA TYR A 3 -3.430 2.642 1.105 1.00 0.00 C +ATOM 38 C TYR A 3 -3.954 1.198 1.152 1.00 0.00 C +ATOM 39 O TYR A 3 -3.201 0.279 1.464 1.00 0.00 O +ATOM 40 CB TYR A 3 -3.762 3.414 2.395 1.00 0.00 C +ATOM 41 CG TYR A 3 -2.656 3.341 3.430 1.00 0.00 C +ATOM 42 CD1 TYR A 3 -2.409 2.135 4.112 1.00 0.00 C +ATOM 43 CD2 TYR A 3 -1.845 4.468 3.678 1.00 0.00 C +ATOM 44 CE1 TYR A 3 -1.337 2.043 5.019 1.00 0.00 C +ATOM 45 CE2 TYR A 3 -0.773 4.382 4.586 1.00 0.00 C +ATOM 46 CZ TYR A 3 -0.505 3.158 5.243 1.00 0.00 C +ATOM 47 OH TYR A 3 0.567 3.040 6.071 1.00 0.00 O +ATOM 48 H TYR A 3 -4.366 4.282 0.125 1.00 0.00 H +ATOM 49 HA TYR A 3 -2.345 2.592 1.013 1.00 0.00 H +ATOM 50 HB2 TYR A 3 -3.928 4.444 2.144 1.00 0.00 H +ATOM 51 HB3 TYR A 3 -4.687 3.030 2.829 1.00 0.00 H +ATOM 52 HD1 TYR A 3 -3.032 1.273 3.926 1.00 0.00 H +ATOM 53 HD2 TYR A 3 -2.028 5.403 3.166 1.00 0.00 H +ATOM 54 HE1 TYR A 3 -1.128 1.119 5.535 1.00 0.00 H +ATOM 55 HE2 TYR A 3 -0.160 5.252 4.768 1.00 0.00 H +ATOM 56 HH TYR A 3 1.163 3.787 5.994 1.00 0.00 H +ATOM 57 N ILE A 4 -5.227 0.988 0.788 1.00 0.00 N +ATOM 58 CA ILE A 4 -5.849 -0.340 0.711 1.00 0.00 C +ATOM 59 C ILE A 4 -5.125 -1.216 -0.325 1.00 0.00 C +ATOM 60 O ILE A 4 -4.736 -2.340 -0.013 1.00 0.00 O +ATOM 61 CB ILE A 4 -7.369 -0.238 0.414 1.00 0.00 C +ATOM 62 CG1 ILE A 4 -8.095 0.818 1.288 1.00 0.00 C +ATOM 63 CG2 ILE A 4 -8.031 -1.608 0.641 1.00 0.00 C +ATOM 64 CD1 ILE A 4 -8.378 2.119 0.526 1.00 0.00 C +ATOM 65 H ILE A 4 -5.784 1.799 0.563 1.00 0.00 H +ATOM 66 HA ILE A 4 -5.728 -0.819 1.684 1.00 0.00 H +ATOM 67 HB ILE A 4 -7.507 0.023 -0.637 1.00 0.00 H +ATOM 68 HG12 ILE A 4 -9.027 0.405 1.622 1.00 0.00 H +ATOM 69 HG13 ILE A 4 -7.505 1.038 2.179 1.00 0.00 H +ATOM 70 HG21 ILE A 4 -7.517 -2.377 0.069 1.00 0.00 H +ATOM 71 HG22 ILE A 4 -7.986 -1.872 1.699 1.00 0.00 H +ATOM 72 HG23 ILE A 4 -9.075 -1.566 0.331 1.00 0.00 H +ATOM 73 HD11 ILE A 4 -7.483 2.471 0.011 1.00 0.00 H +ATOM 74 HD12 ILE A 4 -9.168 1.948 -0.207 1.00 0.00 H +ATOM 75 HD13 ILE A 4 -8.711 2.887 1.226 1.00 0.00 H +ATOM 76 N GLN A 5 -4.916 -0.702 -1.546 1.00 0.00 N +ATOM 77 CA GLN A 5 -4.150 -1.391 -2.590 1.00 0.00 C +ATOM 78 C GLN A 5 -2.691 -1.624 -2.173 1.00 0.00 C +ATOM 79 O GLN A 5 -2.176 -2.721 -2.360 1.00 0.00 O +ATOM 80 CB GLN A 5 -4.230 -0.639 -3.931 1.00 0.00 C +ATOM 81 CG GLN A 5 -5.625 -0.733 -4.579 1.00 0.00 C +ATOM 82 CD GLN A 5 -5.546 -0.884 -6.097 1.00 0.00 C +ATOM 83 OE1 GLN A 5 -5.814 -1.942 -6.641 1.00 0.00 O +ATOM 84 NE2 GLN A 5 -5.189 0.150 -6.835 1.00 0.00 N +ATOM 85 H GLN A 5 -5.185 0.257 -1.709 1.00 0.00 H +ATOM 86 HA GLN A 5 -4.580 -2.380 -2.738 1.00 0.00 H +ATOM 87 HB2 GLN A 5 -3.999 0.395 -3.760 1.00 0.00 H +ATOM 88 HB3 GLN A 5 -3.503 -1.090 -4.608 1.00 0.00 H +ATOM 89 HG2 GLN A 5 -6.138 -1.583 -4.173 1.00 0.00 H +ATOM 90 HG3 GLN A 5 -6.209 0.153 -4.330 1.00 0.00 H +ATOM 91 HE21 GLN A 5 -4.962 1.049 -6.453 1.00 0.00 H +ATOM 92 HE22 GLN A 5 -5.143 -0.061 -7.818 1.00 0.00 H +ATOM 93 N TRP A 6 -2.038 -0.638 -1.550 1.00 0.00 N +ATOM 94 CA TRP A 6 -0.680 -0.802 -1.023 1.00 0.00 C +ATOM 95 C TRP A 6 -0.581 -1.902 0.052 1.00 0.00 C +ATOM 96 O TRP A 6 0.370 -2.683 0.054 1.00 0.00 O +ATOM 97 CB TRP A 6 -0.182 0.548 -0.505 1.00 0.00 C +ATOM 98 CG TRP A 6 1.217 0.527 0.021 1.00 0.00 C +ATOM 99 CD1 TRP A 6 2.341 0.528 -0.734 1.00 0.00 C +ATOM 100 CD2 TRP A 6 1.664 0.460 1.409 1.00 0.00 C +ATOM 101 NE1 TRP A 6 3.445 0.460 0.092 1.00 0.00 N +ATOM 102 CE2 TRP A 6 3.088 0.426 1.419 1.00 0.00 C +ATOM 103 CE3 TRP A 6 1.014 0.427 2.664 1.00 0.00 C +ATOM 104 CZ2 TRP A 6 3.837 0.383 2.600 1.00 0.00 C +ATOM 105 CZ3 TRP A 6 1.756 0.370 3.860 1.00 0.00 C +ATOM 106 CH2 TRP A 6 3.163 0.355 3.831 1.00 0.00 C +ATOM 107 H TRP A 6 -2.505 0.261 -1.452 1.00 0.00 H +ATOM 108 HA TRP A 6 -0.030 -1.112 -1.845 1.00 0.00 H +ATOM 109 HB2 TRP A 6 -0.227 1.255 -1.311 1.00 0.00 H +ATOM 110 HB3 TRP A 6 -0.844 0.890 0.290 1.00 0.00 H +ATOM 111 HD1 TRP A 6 2.361 0.562 -1.814 1.00 0.00 H +ATOM 112 HE1 TRP A 6 4.420 0.464 -0.212 1.00 0.00 H +ATOM 113 HE3 TRP A 6 -0.065 0.453 2.696 1.00 0.00 H +ATOM 114 HZ2 TRP A 6 4.916 0.365 2.548 1.00 0.00 H +ATOM 115 HZ3 TRP A 6 1.242 0.352 4.811 1.00 0.00 H +ATOM 116 HH2 TRP A 6 3.723 0.327 4.755 1.00 0.00 H +ATOM 117 N LEU A 7 -1.576 -2.011 0.945 1.00 0.00 N +ATOM 118 CA LEU A 7 -1.649 -3.105 1.914 1.00 0.00 C +ATOM 119 C LEU A 7 -1.882 -4.474 1.254 1.00 0.00 C +ATOM 120 O LEU A 7 -1.265 -5.442 1.698 1.00 0.00 O +ATOM 121 CB LEU A 7 -2.712 -2.809 2.985 1.00 0.00 C +ATOM 122 CG LEU A 7 -2.272 -1.754 4.020 1.00 0.00 C +ATOM 123 CD1 LEU A 7 -3.470 -1.358 4.888 1.00 0.00 C +ATOM 124 CD2 LEU A 7 -1.166 -2.267 4.955 1.00 0.00 C +ATOM 125 H LEU A 7 -2.302 -1.297 0.951 1.00 0.00 H +ATOM 126 HA LEU A 7 -0.678 -3.182 2.402 1.00 0.00 H +ATOM 127 HB2 LEU A 7 -3.598 -2.454 2.494 1.00 0.00 H +ATOM 128 HB3 LEU A 7 -2.946 -3.732 3.519 1.00 0.00 H +ATOM 129 HG LEU A 7 -1.907 -0.864 3.508 1.00 0.00 H +ATOM 130 HD11 LEU A 7 -4.258 -0.942 4.261 1.00 0.00 H +ATOM 131 HD12 LEU A 7 -3.855 -2.232 5.416 1.00 0.00 H +ATOM 132 HD13 LEU A 7 -3.169 -0.607 5.619 1.00 0.00 H +ATOM 133 HD21 LEU A 7 -1.504 -3.160 5.481 1.00 0.00 H +ATOM 134 HD22 LEU A 7 -0.268 -2.501 4.389 1.00 0.00 H +ATOM 135 HD23 LEU A 7 -0.914 -1.496 5.684 1.00 0.00 H +ATOM 136 N LYS A 8 -2.698 -4.571 0.188 1.00 0.00 N +ATOM 137 CA LYS A 8 -2.920 -5.824 -0.568 1.00 0.00 C +ATOM 138 C LYS A 8 -1.620 -6.483 -1.050 1.00 0.00 C +ATOM 139 O LYS A 8 -1.511 -7.703 -0.966 1.00 0.00 O +ATOM 140 CB LYS A 8 -3.867 -5.590 -1.762 1.00 0.00 C +ATOM 141 CG LYS A 8 -5.354 -5.831 -1.453 1.00 0.00 C +ATOM 142 CD LYS A 8 -6.249 -4.698 -1.982 1.00 0.00 C +ATOM 143 CE LYS A 8 -7.691 -5.177 -2.180 1.00 0.00 C +ATOM 144 NZ LYS A 8 -8.665 -4.079 -1.976 1.00 0.00 N +ATOM 145 H LYS A 8 -3.180 -3.726 -0.103 1.00 0.00 H +ATOM 146 HA LYS A 8 -3.374 -6.556 0.102 1.00 0.00 H +ATOM 147 HB2 LYS A 8 -3.752 -4.574 -2.087 1.00 0.00 H +ATOM 148 HB3 LYS A 8 -3.594 -6.271 -2.572 1.00 0.00 H +ATOM 149 HG2 LYS A 8 -5.657 -6.753 -1.911 1.00 0.00 H +ATOM 150 HG3 LYS A 8 -5.512 -5.922 -0.377 1.00 0.00 H +ATOM 151 HD2 LYS A 8 -6.243 -3.889 -1.277 1.00 0.00 H +ATOM 152 HD3 LYS A 8 -5.872 -4.334 -2.938 1.00 0.00 H +ATOM 153 HE2 LYS A 8 -7.798 -5.556 -3.178 1.00 0.00 H +ATOM 154 HE3 LYS A 8 -7.897 -5.991 -1.480 1.00 0.00 H +ATOM 155 HZ1 LYS A 8 -8.685 -3.817 -0.999 1.00 0.00 H +ATOM 156 HZ2 LYS A 8 -8.405 -3.272 -2.528 1.00 0.00 H +ATOM 157 HZ3 LYS A 8 -9.592 -4.377 -2.248 1.00 0.00 H +ATOM 158 N ASP A 9 -0.639 -5.703 -1.510 1.00 0.00 N +ATOM 159 CA ASP A 9 0.688 -6.202 -1.905 1.00 0.00 C +ATOM 160 C ASP A 9 1.568 -6.674 -0.725 1.00 0.00 C +ATOM 161 O ASP A 9 2.581 -7.332 -0.959 1.00 0.00 O +ATOM 162 CB ASP A 9 1.424 -5.117 -2.708 1.00 0.00 C +ATOM 163 CG ASP A 9 1.030 -5.128 -4.186 1.00 0.00 C +ATOM 164 OD1 ASP A 9 0.004 -4.494 -4.518 1.00 0.00 O +ATOM 165 OD2 ASP A 9 1.768 -5.764 -4.970 1.00 0.00 O +ATOM 166 H ASP A 9 -0.835 -4.715 -1.632 1.00 0.00 H +ATOM 167 HA ASP A 9 0.559 -7.070 -2.554 1.00 0.00 H +ATOM 168 HB2 ASP A 9 1.184 -4.157 -2.293 1.00 0.00 H +ATOM 169 HB3 ASP A 9 2.495 -5.299 -2.651 1.00 0.00 H +ATOM 170 N GLY A 10 1.193 -6.382 0.530 1.00 0.00 N +ATOM 171 CA GLY A 10 1.971 -6.722 1.726 1.00 0.00 C +ATOM 172 C GLY A 10 2.536 -5.512 2.484 1.00 0.00 C +ATOM 173 O GLY A 10 3.434 -5.686 3.319 1.00 0.00 O +ATOM 174 H GLY A 10 0.285 -5.945 0.663 1.00 0.00 H +ATOM 175 HA2 GLY A 10 1.329 -7.276 2.410 1.00 0.00 H +ATOM 176 HA3 GLY A 10 2.805 -7.370 1.457 1.00 0.00 H +ATOM 177 N GLY A 11 2.052 -4.294 2.195 1.00 0.00 N +ATOM 178 CA GLY A 11 2.478 -3.045 2.826 1.00 0.00 C +ATOM 179 C GLY A 11 4.005 -2.879 2.813 1.00 0.00 C +ATOM 180 O GLY A 11 4.582 -2.906 1.721 1.00 0.00 O +ATOM 181 H GLY A 11 1.402 -4.219 1.418 1.00 0.00 H +ATOM 182 HA2 GLY A 11 2.046 -2.213 2.270 1.00 0.00 H +ATOM 183 HA3 GLY A 11 2.084 -3.016 3.839 1.00 0.00 H +ATOM 184 N PRO A 12 4.692 -2.759 3.973 1.00 0.00 N +ATOM 185 CA PRO A 12 6.152 -2.629 4.039 1.00 0.00 C +ATOM 186 C PRO A 12 6.923 -3.746 3.321 1.00 0.00 C +ATOM 187 O PRO A 12 8.027 -3.514 2.831 1.00 0.00 O +ATOM 188 CB PRO A 12 6.510 -2.622 5.531 1.00 0.00 C +ATOM 189 CG PRO A 12 5.218 -2.200 6.225 1.00 0.00 C +ATOM 190 CD PRO A 12 4.129 -2.762 5.317 1.00 0.00 C +ATOM 191 HA PRO A 12 6.435 -1.671 3.598 1.00 0.00 H +ATOM 192 HB2 PRO A 12 6.814 -3.599 5.854 1.00 0.00 H +ATOM 193 HB3 PRO A 12 7.322 -1.925 5.744 1.00 0.00 H +ATOM 194 HG2 PRO A 12 5.154 -2.624 7.209 1.00 0.00 H +ATOM 195 HG3 PRO A 12 5.152 -1.112 6.247 1.00 0.00 H +ATOM 196 HD2 PRO A 12 3.874 -3.761 5.613 1.00 0.00 H +ATOM 197 HD3 PRO A 12 3.237 -2.141 5.389 1.00 0.00 H +ATOM 198 N SER A 13 6.342 -4.949 3.227 1.00 0.00 N +ATOM 199 CA SER A 13 6.953 -6.108 2.565 1.00 0.00 C +ATOM 200 C SER A 13 6.835 -6.089 1.028 1.00 0.00 C +ATOM 201 O SER A 13 7.310 -7.013 0.372 1.00 0.00 O +ATOM 202 CB SER A 13 6.418 -7.407 3.189 1.00 0.00 C +ATOM 203 OG SER A 13 5.049 -7.646 2.925 1.00 0.00 O +ATOM 204 H SER A 13 5.398 -5.042 3.586 1.00 0.00 H +ATOM 205 HA SER A 13 8.021 -6.087 2.780 1.00 0.00 H +ATOM 206 HB2 SER A 13 6.986 -8.229 2.798 1.00 0.00 H +ATOM 207 HB3 SER A 13 6.570 -7.367 4.269 1.00 0.00 H +ATOM 208 HG SER A 13 4.491 -6.875 3.179 1.00 0.00 H +ATOM 209 N SER A 14 6.261 -5.024 0.445 1.00 0.00 N +ATOM 210 CA SER A 14 5.991 -4.891 -1.000 1.00 0.00 C +ATOM 211 C SER A 14 7.137 -4.279 -1.817 1.00 0.00 C +ATOM 212 O SER A 14 7.039 -4.212 -3.040 1.00 0.00 O +ATOM 213 CB SER A 14 4.767 -3.997 -1.251 1.00 0.00 C +ATOM 214 OG SER A 14 3.740 -4.198 -0.309 1.00 0.00 O +ATOM 215 H SER A 14 5.896 -4.305 1.059 1.00 0.00 H +ATOM 216 HA SER A 14 5.772 -5.881 -1.404 1.00 0.00 H +ATOM 217 HB2 SER A 14 5.077 -2.971 -1.206 1.00 0.00 H +ATOM 218 HB3 SER A 14 4.387 -4.198 -2.253 1.00 0.00 H +ATOM 219 HG SER A 14 3.989 -3.688 0.498 1.00 0.00 H +ATOM 220 N GLY A 15 8.190 -3.753 -1.173 1.00 0.00 N +ATOM 221 CA GLY A 15 9.278 -3.048 -1.864 1.00 0.00 C +ATOM 222 C GLY A 15 8.923 -1.636 -2.363 1.00 0.00 C +ATOM 223 O GLY A 15 9.597 -1.125 -3.256 1.00 0.00 O +ATOM 224 H GLY A 15 8.230 -3.874 -0.169 1.00 0.00 H +ATOM 225 HA2 GLY A 15 10.132 -2.963 -1.193 1.00 0.00 H +ATOM 226 HA3 GLY A 15 9.593 -3.638 -2.728 1.00 0.00 H +ATOM 227 N ARG A 16 7.874 -1.002 -1.812 1.00 0.00 N +ATOM 228 CA ARG A 16 7.382 0.330 -2.201 1.00 0.00 C +ATOM 229 C ARG A 16 6.915 1.120 -0.964 1.00 0.00 C +ATOM 230 O ARG A 16 6.231 0.524 -0.128 1.00 0.00 O +ATOM 231 CB ARG A 16 6.224 0.134 -3.199 1.00 0.00 C +ATOM 232 CG ARG A 16 5.717 1.452 -3.807 1.00 0.00 C +ATOM 233 CD ARG A 16 4.513 1.235 -4.737 1.00 0.00 C +ATOM 234 NE ARG A 16 4.760 1.773 -6.087 1.00 0.00 N +ATOM 235 CZ ARG A 16 5.414 1.176 -7.078 1.00 0.00 C +ATOM 236 NH1 ARG A 16 5.904 -0.036 -6.958 1.00 0.00 N +ATOM 237 NH2 ARG A 16 5.592 1.801 -8.218 1.00 0.00 N +ATOM 238 H ARG A 16 7.386 -1.480 -1.068 1.00 0.00 H +ATOM 239 HA ARG A 16 8.193 0.866 -2.695 1.00 0.00 H +ATOM 240 HB2 ARG A 16 6.564 -0.500 -3.995 1.00 0.00 H +ATOM 241 HB3 ARG A 16 5.397 -0.368 -2.693 1.00 0.00 H +ATOM 242 HG2 ARG A 16 5.425 2.110 -3.011 1.00 0.00 H +ATOM 243 HG3 ARG A 16 6.533 1.921 -4.356 1.00 0.00 H +ATOM 244 HD2 ARG A 16 4.318 0.183 -4.813 1.00 0.00 H +ATOM 245 HD3 ARG A 16 3.650 1.750 -4.307 1.00 0.00 H +ATOM 246 HE ARG A 16 4.417 2.701 -6.269 1.00 0.00 H +ATOM 247 HH11 ARG A 16 5.763 -0.524 -6.091 1.00 0.00 H +ATOM 248 HH12 ARG A 16 6.395 -0.483 -7.711 1.00 0.00 H +ATOM 249 HH21 ARG A 16 5.241 2.733 -8.353 1.00 0.00 H +ATOM 250 HH22 ARG A 16 6.087 1.345 -8.963 1.00 0.00 H +ATOM 251 N PRO A 17 7.201 2.434 -0.845 1.00 0.00 N +ATOM 252 CA PRO A 17 6.709 3.260 0.266 1.00 0.00 C +ATOM 253 C PRO A 17 5.174 3.417 0.252 1.00 0.00 C +ATOM 254 O PRO A 17 4.553 3.245 -0.801 1.00 0.00 O +ATOM 255 CB PRO A 17 7.409 4.616 0.102 1.00 0.00 C +ATOM 256 CG PRO A 17 7.686 4.697 -1.397 1.00 0.00 C +ATOM 257 CD PRO A 17 7.996 3.247 -1.757 1.00 0.00 C +ATOM 258 HA PRO A 17 7.014 2.807 1.209 1.00 0.00 H +ATOM 259 HB2 PRO A 17 6.770 5.418 0.418 1.00 0.00 H +ATOM 260 HB3 PRO A 17 8.355 4.606 0.646 1.00 0.00 H +ATOM 261 HG2 PRO A 17 6.826 5.053 -1.931 1.00 0.00 H +ATOM 262 HG3 PRO A 17 8.523 5.360 -1.621 1.00 0.00 H +ATOM 263 HD2 PRO A 17 7.719 3.047 -2.774 1.00 0.00 H +ATOM 264 HD3 PRO A 17 9.056 3.045 -1.589 1.00 0.00 H +ATOM 265 N PRO A 18 4.551 3.769 1.395 1.00 0.00 N +ATOM 266 CA PRO A 18 3.107 3.972 1.479 1.00 0.00 C +ATOM 267 C PRO A 18 2.667 5.246 0.736 1.00 0.00 C +ATOM 268 O PRO A 18 3.406 6.231 0.715 1.00 0.00 O +ATOM 269 CB PRO A 18 2.790 4.070 2.975 1.00 0.00 C +ATOM 270 CG PRO A 18 4.088 4.608 3.577 1.00 0.00 C +ATOM 271 CD PRO A 18 5.169 3.986 2.696 1.00 0.00 C +ATOM 272 HA PRO A 18 2.605 3.104 1.061 1.00 0.00 H +ATOM 273 HB2 PRO A 18 1.976 4.746 3.152 1.00 0.00 H +ATOM 274 HB3 PRO A 18 2.591 3.076 3.371 1.00 0.00 H +ATOM 275 HG2 PRO A 18 4.120 5.679 3.526 1.00 0.00 H +ATOM 276 HG3 PRO A 18 4.200 4.315 4.621 1.00 0.00 H +ATOM 277 HD2 PRO A 18 6.005 4.652 2.605 1.00 0.00 H +ATOM 278 HD3 PRO A 18 5.478 3.028 3.113 1.00 0.00 H +ATOM 279 N PRO A 19 1.453 5.261 0.157 1.00 0.00 N +ATOM 280 CA PRO A 19 0.895 6.437 -0.497 1.00 0.00 C +ATOM 281 C PRO A 19 0.313 7.426 0.527 1.00 0.00 C +ATOM 282 O PRO A 19 -0.289 7.024 1.526 1.00 0.00 O +ATOM 283 CB PRO A 19 -0.191 5.879 -1.419 1.00 0.00 C +ATOM 284 CG PRO A 19 -0.709 4.662 -0.648 1.00 0.00 C +ATOM 285 CD PRO A 19 0.528 4.140 0.072 1.00 0.00 C +ATOM 286 HA PRO A 19 1.661 6.937 -1.093 1.00 0.00 H +ATOM 287 HB2 PRO A 19 -0.972 6.598 -1.574 1.00 0.00 H +ATOM 288 HB3 PRO A 19 0.264 5.549 -2.354 1.00 0.00 H +ATOM 289 HG2 PRO A 19 -1.469 4.948 0.054 1.00 0.00 H +ATOM 290 HG3 PRO A 19 -1.113 3.904 -1.316 1.00 0.00 H +ATOM 291 HD2 PRO A 19 0.269 3.796 1.055 1.00 0.00 H +ATOM 292 HD3 PRO A 19 0.983 3.342 -0.516 1.00 0.00 H +ATOM 293 N SER A 20 0.435 8.721 0.221 1.00 0.00 N +ATOM 294 CA SER A 20 -0.096 9.858 0.986 1.00 0.00 C +ATOM 295 C SER A 20 -0.738 10.863 0.030 1.00 0.00 C +ATOM 296 O SER A 20 0.078 11.508 -0.677 1.00 0.00 O +ATOM 297 CB SER A 20 1.036 10.515 1.790 1.00 0.00 C +ATOM 298 OG SER A 20 1.921 11.080 0.848 1.00 0.00 O +ATOM 299 OXT SER A 20 -1.985 10.935 0.010 1.00 0.00 O +ATOM 300 H SER A 20 0.966 8.976 -0.599 1.00 0.00 H +ATOM 301 HA SER A 20 -0.871 9.518 1.672 1.00 0.00 H +ATOM 302 HB2 SER A 20 0.640 11.279 2.431 1.00 0.00 H +ATOM 303 HB3 SER A 20 1.548 9.780 2.415 1.00 0.00 H +ATOM 304 HG SER A 20 1.284 11.357 0.104 1.00 0.00 H +TER 305 SER A 20 +ENDMDL +MODEL 16 +ATOM 1 N ASN A 1 -8.985 3.821 -0.843 1.00 0.00 N +ATOM 2 CA ASN A 1 -8.461 2.997 -1.957 1.00 0.00 C +ATOM 3 C ASN A 1 -6.942 2.892 -1.960 1.00 0.00 C +ATOM 4 O ASN A 1 -6.453 1.798 -1.714 1.00 0.00 O +ATOM 5 CB ASN A 1 -9.056 3.439 -3.298 1.00 0.00 C +ATOM 6 CG ASN A 1 -10.516 3.025 -3.296 1.00 0.00 C +ATOM 7 OD1 ASN A 1 -11.303 3.596 -2.558 1.00 0.00 O +ATOM 8 ND2 ASN A 1 -10.879 1.968 -3.997 1.00 0.00 N +ATOM 9 H1 ASN A 1 -8.630 3.491 0.044 1.00 0.00 H +ATOM 10 H2 ASN A 1 -8.733 4.791 -0.971 1.00 0.00 H +ATOM 11 H3 ASN A 1 -9.999 3.760 -0.843 1.00 0.00 H +ATOM 12 HA ASN A 1 -8.800 1.972 -1.795 1.00 0.00 H +ATOM 13 HB2 ASN A 1 -8.975 4.504 -3.404 1.00 0.00 H +ATOM 14 HB3 ASN A 1 -8.543 2.956 -4.125 1.00 0.00 H +ATOM 15 HD21 ASN A 1 -10.234 1.458 -4.583 1.00 0.00 H +ATOM 16 HD22 ASN A 1 -11.851 1.711 -3.928 1.00 0.00 H +ATOM 17 N LEU A 2 -6.201 3.988 -2.170 1.00 0.00 N +ATOM 18 CA LEU A 2 -4.729 4.023 -2.199 1.00 0.00 C +ATOM 19 C LEU A 2 -4.037 3.168 -1.116 1.00 0.00 C +ATOM 20 O LEU A 2 -3.314 2.226 -1.445 1.00 0.00 O +ATOM 21 CB LEU A 2 -4.249 5.491 -2.208 1.00 0.00 C +ATOM 22 CG LEU A 2 -4.830 6.411 -1.102 1.00 0.00 C +ATOM 23 CD1 LEU A 2 -3.744 6.981 -0.191 1.00 0.00 C +ATOM 24 CD2 LEU A 2 -5.610 7.577 -1.716 1.00 0.00 C +ATOM 25 H LEU A 2 -6.656 4.854 -2.419 1.00 0.00 H +ATOM 26 HA LEU A 2 -4.416 3.587 -3.149 1.00 0.00 H +ATOM 27 HB2 LEU A 2 -3.181 5.487 -2.102 1.00 0.00 H +ATOM 28 HB3 LEU A 2 -4.495 5.911 -3.186 1.00 0.00 H +ATOM 29 HG LEU A 2 -5.519 5.848 -0.473 1.00 0.00 H +ATOM 30 HD11 LEU A 2 -3.233 6.180 0.339 1.00 0.00 H +ATOM 31 HD12 LEU A 2 -3.013 7.542 -0.773 1.00 0.00 H +ATOM 32 HD13 LEU A 2 -4.187 7.648 0.549 1.00 0.00 H +ATOM 33 HD21 LEU A 2 -4.940 8.203 -2.305 1.00 0.00 H +ATOM 34 HD22 LEU A 2 -6.406 7.203 -2.358 1.00 0.00 H +ATOM 35 HD23 LEU A 2 -6.050 8.182 -0.924 1.00 0.00 H +ATOM 36 N TYR A 3 -4.276 3.462 0.168 1.00 0.00 N +ATOM 37 CA TYR A 3 -3.662 2.734 1.282 1.00 0.00 C +ATOM 38 C TYR A 3 -4.055 1.248 1.304 1.00 0.00 C +ATOM 39 O TYR A 3 -3.199 0.393 1.521 1.00 0.00 O +ATOM 40 CB TYR A 3 -4.017 3.443 2.599 1.00 0.00 C +ATOM 41 CG TYR A 3 -3.241 2.974 3.819 1.00 0.00 C +ATOM 42 CD1 TYR A 3 -1.832 2.899 3.785 1.00 0.00 C +ATOM 43 CD2 TYR A 3 -3.928 2.662 5.010 1.00 0.00 C +ATOM 44 CE1 TYR A 3 -1.115 2.469 4.918 1.00 0.00 C +ATOM 45 CE2 TYR A 3 -3.214 2.261 6.153 1.00 0.00 C +ATOM 46 CZ TYR A 3 -1.810 2.142 6.104 1.00 0.00 C +ATOM 47 OH TYR A 3 -1.150 1.670 7.197 1.00 0.00 O +ATOM 48 H TYR A 3 -4.837 4.272 0.378 1.00 0.00 H +ATOM 49 HA TYR A 3 -2.581 2.779 1.145 1.00 0.00 H +ATOM 50 HB2 TYR A 3 -3.831 4.492 2.471 1.00 0.00 H +ATOM 51 HB3 TYR A 3 -5.087 3.318 2.784 1.00 0.00 H +ATOM 52 HD1 TYR A 3 -1.288 3.179 2.895 1.00 0.00 H +ATOM 53 HD2 TYR A 3 -5.005 2.735 5.060 1.00 0.00 H +ATOM 54 HE1 TYR A 3 -0.037 2.418 4.887 1.00 0.00 H +ATOM 55 HE2 TYR A 3 -3.725 2.015 7.071 1.00 0.00 H +ATOM 56 HH TYR A 3 -0.473 1.035 6.968 1.00 0.00 H +ATOM 57 N ILE A 4 -5.324 0.935 1.003 1.00 0.00 N +ATOM 58 CA ILE A 4 -5.835 -0.433 0.848 1.00 0.00 C +ATOM 59 C ILE A 4 -5.070 -1.165 -0.259 1.00 0.00 C +ATOM 60 O ILE A 4 -4.556 -2.249 -0.010 1.00 0.00 O +ATOM 61 CB ILE A 4 -7.373 -0.454 0.628 1.00 0.00 C +ATOM 62 CG1 ILE A 4 -8.119 0.069 1.882 1.00 0.00 C +ATOM 63 CG2 ILE A 4 -7.865 -1.878 0.304 1.00 0.00 C +ATOM 64 CD1 ILE A 4 -8.406 1.577 1.860 1.00 0.00 C +ATOM 65 H ILE A 4 -5.933 1.699 0.766 1.00 0.00 H +ATOM 66 HA ILE A 4 -5.626 -0.976 1.772 1.00 0.00 H +ATOM 67 HB ILE A 4 -7.639 0.170 -0.222 1.00 0.00 H +ATOM 68 HG12 ILE A 4 -9.055 -0.451 1.958 1.00 0.00 H +ATOM 69 HG13 ILE A 4 -7.537 -0.172 2.773 1.00 0.00 H +ATOM 70 HG21 ILE A 4 -7.467 -2.211 -0.654 1.00 0.00 H +ATOM 71 HG22 ILE A 4 -7.552 -2.574 1.084 1.00 0.00 H +ATOM 72 HG23 ILE A 4 -8.953 -1.892 0.229 1.00 0.00 H +ATOM 73 HD11 ILE A 4 -7.613 2.129 1.361 1.00 0.00 H +ATOM 74 HD12 ILE A 4 -9.347 1.759 1.338 1.00 0.00 H +ATOM 75 HD13 ILE A 4 -8.496 1.941 2.884 1.00 0.00 H +ATOM 76 N GLN A 5 -4.953 -0.577 -1.456 1.00 0.00 N +ATOM 77 CA GLN A 5 -4.193 -1.137 -2.578 1.00 0.00 C +ATOM 78 C GLN A 5 -2.737 -1.444 -2.205 1.00 0.00 C +ATOM 79 O GLN A 5 -2.269 -2.544 -2.502 1.00 0.00 O +ATOM 80 CB GLN A 5 -4.275 -0.188 -3.786 1.00 0.00 C +ATOM 81 CG GLN A 5 -5.565 -0.416 -4.589 1.00 0.00 C +ATOM 82 CD GLN A 5 -5.973 0.808 -5.398 1.00 0.00 C +ATOM 83 OE1 GLN A 5 -7.023 1.388 -5.178 1.00 0.00 O +ATOM 84 NE2 GLN A 5 -5.173 1.247 -6.352 1.00 0.00 N +ATOM 85 H GLN A 5 -5.394 0.332 -1.576 1.00 0.00 H +ATOM 86 HA GLN A 5 -4.644 -2.090 -2.855 1.00 0.00 H +ATOM 87 HB2 GLN A 5 -4.256 0.826 -3.436 1.00 0.00 H +ATOM 88 HB3 GLN A 5 -3.423 -0.354 -4.446 1.00 0.00 H +ATOM 89 HG2 GLN A 5 -5.411 -1.237 -5.262 1.00 0.00 H +ATOM 90 HG3 GLN A 5 -6.383 -0.657 -3.908 1.00 0.00 H +ATOM 91 HE21 GLN A 5 -4.298 0.808 -6.577 1.00 0.00 H +ATOM 92 HE22 GLN A 5 -5.526 2.044 -6.855 1.00 0.00 H +ATOM 93 N TRP A 6 -2.045 -0.512 -1.537 1.00 0.00 N +ATOM 94 CA TRP A 6 -0.676 -0.717 -1.051 1.00 0.00 C +ATOM 95 C TRP A 6 -0.574 -1.823 0.011 1.00 0.00 C +ATOM 96 O TRP A 6 0.277 -2.708 -0.097 1.00 0.00 O +ATOM 97 CB TRP A 6 -0.129 0.610 -0.523 1.00 0.00 C +ATOM 98 CG TRP A 6 1.281 0.547 -0.017 1.00 0.00 C +ATOM 99 CD1 TRP A 6 2.388 0.529 -0.785 1.00 0.00 C +ATOM 100 CD2 TRP A 6 1.751 0.483 1.369 1.00 0.00 C +ATOM 101 NE1 TRP A 6 3.510 0.450 0.021 1.00 0.00 N +ATOM 102 CE2 TRP A 6 3.175 0.431 1.351 1.00 0.00 C +ATOM 103 CE3 TRP A 6 1.129 0.466 2.636 1.00 0.00 C +ATOM 104 CZ2 TRP A 6 3.949 0.390 2.518 1.00 0.00 C +ATOM 105 CZ3 TRP A 6 1.894 0.408 3.818 1.00 0.00 C +ATOM 106 CH2 TRP A 6 3.300 0.384 3.763 1.00 0.00 C +ATOM 107 H TRP A 6 -2.501 0.381 -1.357 1.00 0.00 H +ATOM 108 HA TRP A 6 -0.053 -1.031 -1.891 1.00 0.00 H +ATOM 109 HB2 TRP A 6 -0.167 1.328 -1.319 1.00 0.00 H +ATOM 110 HB3 TRP A 6 -0.772 0.969 0.281 1.00 0.00 H +ATOM 111 HD1 TRP A 6 2.399 0.570 -1.868 1.00 0.00 H +ATOM 112 HE1 TRP A 6 4.480 0.455 -0.290 1.00 0.00 H +ATOM 113 HE3 TRP A 6 0.051 0.501 2.690 1.00 0.00 H +ATOM 114 HZ2 TRP A 6 5.027 0.361 2.446 1.00 0.00 H +ATOM 115 HZ3 TRP A 6 1.403 0.391 4.779 1.00 0.00 H +ATOM 116 HH2 TRP A 6 3.881 0.356 4.673 1.00 0.00 H +ATOM 117 N LEU A 7 -1.457 -1.813 1.020 1.00 0.00 N +ATOM 118 CA LEU A 7 -1.515 -2.880 2.022 1.00 0.00 C +ATOM 119 C LEU A 7 -1.825 -4.246 1.392 1.00 0.00 C +ATOM 120 O LEU A 7 -1.201 -5.233 1.781 1.00 0.00 O +ATOM 121 CB LEU A 7 -2.540 -2.533 3.116 1.00 0.00 C +ATOM 122 CG LEU A 7 -2.096 -1.425 4.093 1.00 0.00 C +ATOM 123 CD1 LEU A 7 -3.250 -1.130 5.052 1.00 0.00 C +ATOM 124 CD2 LEU A 7 -0.870 -1.826 4.923 1.00 0.00 C +ATOM 125 H LEU A 7 -2.129 -1.050 1.079 1.00 0.00 H +ATOM 126 HA LEU A 7 -0.530 -2.978 2.476 1.00 0.00 H +ATOM 127 HB2 LEU A 7 -3.444 -2.212 2.636 1.00 0.00 H +ATOM 128 HB3 LEU A 7 -2.739 -3.435 3.698 1.00 0.00 H +ATOM 129 HG LEU A 7 -1.858 -0.515 3.546 1.00 0.00 H +ATOM 130 HD11 LEU A 7 -4.089 -0.709 4.497 1.00 0.00 H +ATOM 131 HD12 LEU A 7 -3.566 -2.044 5.557 1.00 0.00 H +ATOM 132 HD13 LEU A 7 -2.934 -0.410 5.803 1.00 0.00 H +ATOM 133 HD21 LEU A 7 -1.062 -2.759 5.451 1.00 0.00 H +ATOM 134 HD22 LEU A 7 0.000 -1.946 4.281 1.00 0.00 H +ATOM 135 HD23 LEU A 7 -0.647 -1.045 5.648 1.00 0.00 H +ATOM 136 N LYS A 8 -2.718 -4.307 0.394 1.00 0.00 N +ATOM 137 CA LYS A 8 -3.085 -5.532 -0.333 1.00 0.00 C +ATOM 138 C LYS A 8 -1.882 -6.223 -0.984 1.00 0.00 C +ATOM 139 O LYS A 8 -1.848 -7.448 -1.047 1.00 0.00 O +ATOM 140 CB LYS A 8 -4.149 -5.208 -1.398 1.00 0.00 C +ATOM 141 CG LYS A 8 -4.972 -6.445 -1.780 1.00 0.00 C +ATOM 142 CD LYS A 8 -5.913 -6.206 -2.971 1.00 0.00 C +ATOM 143 CE LYS A 8 -5.170 -6.233 -4.317 1.00 0.00 C +ATOM 144 NZ LYS A 8 -4.735 -4.890 -4.767 1.00 0.00 N +ATOM 145 H LYS A 8 -3.216 -3.446 0.170 1.00 0.00 H +ATOM 146 HA LYS A 8 -3.506 -6.236 0.387 1.00 0.00 H +ATOM 147 HB2 LYS A 8 -4.811 -4.457 -1.010 1.00 0.00 H +ATOM 148 HB3 LYS A 8 -3.649 -4.799 -2.275 1.00 0.00 H +ATOM 149 HG2 LYS A 8 -4.296 -7.239 -2.034 1.00 0.00 H +ATOM 150 HG3 LYS A 8 -5.577 -6.724 -0.915 1.00 0.00 H +ATOM 151 HD2 LYS A 8 -6.664 -6.972 -2.976 1.00 0.00 H +ATOM 152 HD3 LYS A 8 -6.467 -5.274 -2.843 1.00 0.00 H +ATOM 153 HE2 LYS A 8 -4.303 -6.857 -4.216 1.00 0.00 H +ATOM 154 HE3 LYS A 8 -5.841 -6.664 -5.066 1.00 0.00 H +ATOM 155 HZ1 LYS A 8 -5.540 -4.295 -4.905 1.00 0.00 H +ATOM 156 HZ2 LYS A 8 -4.116 -4.470 -4.084 1.00 0.00 H +ATOM 157 HZ3 LYS A 8 -4.232 -4.964 -5.642 1.00 0.00 H +ATOM 158 N ASP A 9 -0.902 -5.444 -1.456 1.00 0.00 N +ATOM 159 CA ASP A 9 0.348 -5.945 -2.038 1.00 0.00 C +ATOM 160 C ASP A 9 1.310 -6.525 -0.977 1.00 0.00 C +ATOM 161 O ASP A 9 2.208 -7.294 -1.310 1.00 0.00 O +ATOM 162 CB ASP A 9 1.013 -4.797 -2.817 1.00 0.00 C +ATOM 163 CG ASP A 9 1.703 -5.285 -4.093 1.00 0.00 C +ATOM 164 OD1 ASP A 9 0.950 -5.620 -5.038 1.00 0.00 O +ATOM 165 OD2 ASP A 9 2.951 -5.273 -4.135 1.00 0.00 O +ATOM 166 H ASP A 9 -1.024 -4.442 -1.395 1.00 0.00 H +ATOM 167 HA ASP A 9 0.107 -6.748 -2.738 1.00 0.00 H +ATOM 168 HB2 ASP A 9 0.261 -4.080 -3.084 1.00 0.00 H +ATOM 169 HB3 ASP A 9 1.722 -4.274 -2.176 1.00 0.00 H +ATOM 170 N GLY A 10 1.095 -6.194 0.306 1.00 0.00 N +ATOM 171 CA GLY A 10 1.925 -6.595 1.444 1.00 0.00 C +ATOM 172 C GLY A 10 2.500 -5.422 2.247 1.00 0.00 C +ATOM 173 O GLY A 10 3.312 -5.648 3.146 1.00 0.00 O +ATOM 174 H GLY A 10 0.256 -5.661 0.510 1.00 0.00 H +ATOM 175 HA2 GLY A 10 1.317 -7.196 2.118 1.00 0.00 H +ATOM 176 HA3 GLY A 10 2.758 -7.207 1.101 1.00 0.00 H +ATOM 177 N GLY A 11 2.118 -4.173 1.938 1.00 0.00 N +ATOM 178 CA GLY A 11 2.643 -2.980 2.600 1.00 0.00 C +ATOM 179 C GLY A 11 4.177 -2.920 2.520 1.00 0.00 C +ATOM 180 O GLY A 11 4.704 -2.996 1.404 1.00 0.00 O +ATOM 181 H GLY A 11 1.494 -4.036 1.148 1.00 0.00 H +ATOM 182 HA2 GLY A 11 2.239 -2.102 2.100 1.00 0.00 H +ATOM 183 HA3 GLY A 11 2.298 -2.976 3.632 1.00 0.00 H +ATOM 184 N PRO A 12 4.917 -2.819 3.647 1.00 0.00 N +ATOM 185 CA PRO A 12 6.382 -2.799 3.646 1.00 0.00 C +ATOM 186 C PRO A 12 7.030 -4.001 2.943 1.00 0.00 C +ATOM 187 O PRO A 12 8.063 -3.835 2.294 1.00 0.00 O +ATOM 188 CB PRO A 12 6.809 -2.746 5.118 1.00 0.00 C +ATOM 189 CG PRO A 12 5.582 -2.203 5.844 1.00 0.00 C +ATOM 190 CD PRO A 12 4.419 -2.739 5.012 1.00 0.00 C +ATOM 191 HA PRO A 12 6.713 -1.886 3.148 1.00 0.00 H +ATOM 192 HB2 PRO A 12 7.061 -3.725 5.477 1.00 0.00 H +ATOM 193 HB3 PRO A 12 7.675 -2.096 5.258 1.00 0.00 H +ATOM 194 HG2 PRO A 12 5.537 -2.571 6.851 1.00 0.00 H +ATOM 195 HG3 PRO A 12 5.587 -1.112 5.807 1.00 0.00 H +ATOM 196 HD2 PRO A 12 4.125 -3.710 5.361 1.00 0.00 H +ATOM 197 HD3 PRO A 12 3.565 -2.068 5.100 1.00 0.00 H +ATOM 198 N SER A 13 6.415 -5.193 3.014 1.00 0.00 N +ATOM 199 CA SER A 13 6.932 -6.420 2.383 1.00 0.00 C +ATOM 200 C SER A 13 7.055 -6.302 0.860 1.00 0.00 C +ATOM 201 O SER A 13 7.865 -6.999 0.255 1.00 0.00 O +ATOM 202 CB SER A 13 6.032 -7.613 2.710 1.00 0.00 C +ATOM 203 OG SER A 13 5.997 -7.832 4.106 1.00 0.00 O +ATOM 204 H SER A 13 5.544 -5.278 3.527 1.00 0.00 H +ATOM 205 HA SER A 13 7.927 -6.625 2.782 1.00 0.00 H +ATOM 206 HB2 SER A 13 5.038 -7.414 2.358 1.00 0.00 H +ATOM 207 HB3 SER A 13 6.424 -8.504 2.218 1.00 0.00 H +ATOM 208 HG SER A 13 5.429 -8.585 4.283 1.00 0.00 H +ATOM 209 N SER A 14 6.287 -5.390 0.254 1.00 0.00 N +ATOM 210 CA SER A 14 6.322 -5.050 -1.172 1.00 0.00 C +ATOM 211 C SER A 14 7.593 -4.289 -1.582 1.00 0.00 C +ATOM 212 O SER A 14 7.834 -4.108 -2.773 1.00 0.00 O +ATOM 213 CB SER A 14 5.101 -4.192 -1.567 1.00 0.00 C +ATOM 214 OG SER A 14 4.017 -4.292 -0.662 1.00 0.00 O +ATOM 215 H SER A 14 5.633 -4.881 0.831 1.00 0.00 H +ATOM 216 HA SER A 14 6.280 -5.977 -1.745 1.00 0.00 H +ATOM 217 HB2 SER A 14 5.409 -3.165 -1.614 1.00 0.00 H +ATOM 218 HB3 SER A 14 4.775 -4.489 -2.563 1.00 0.00 H +ATOM 219 HG SER A 14 4.222 -3.726 0.121 1.00 0.00 H +ATOM 220 N GLY A 15 8.386 -3.785 -0.622 1.00 0.00 N +ATOM 221 CA GLY A 15 9.603 -3.011 -0.885 1.00 0.00 C +ATOM 222 C GLY A 15 9.362 -1.593 -1.427 1.00 0.00 C +ATOM 223 O GLY A 15 10.306 -0.952 -1.881 1.00 0.00 O +ATOM 224 H GLY A 15 8.154 -3.973 0.353 1.00 0.00 H +ATOM 225 HA2 GLY A 15 10.169 -2.923 0.042 1.00 0.00 H +ATOM 226 HA3 GLY A 15 10.220 -3.549 -1.606 1.00 0.00 H +ATOM 227 N ARG A 16 8.117 -1.096 -1.381 1.00 0.00 N +ATOM 228 CA ARG A 16 7.691 0.212 -1.899 1.00 0.00 C +ATOM 229 C ARG A 16 7.091 1.060 -0.764 1.00 0.00 C +ATOM 230 O ARG A 16 6.300 0.516 0.009 1.00 0.00 O +ATOM 231 CB ARG A 16 6.671 -0.025 -3.030 1.00 0.00 C +ATOM 232 CG ARG A 16 6.236 1.275 -3.721 1.00 0.00 C +ATOM 233 CD ARG A 16 5.149 1.034 -4.770 1.00 0.00 C +ATOM 234 NE ARG A 16 4.730 2.310 -5.382 1.00 0.00 N +ATOM 235 CZ ARG A 16 3.684 2.515 -6.172 1.00 0.00 C +ATOM 236 NH1 ARG A 16 2.874 1.539 -6.511 1.00 0.00 N +ATOM 237 NH2 ARG A 16 3.433 3.717 -6.637 1.00 0.00 N +ATOM 238 H ARG A 16 7.418 -1.684 -0.950 1.00 0.00 H +ATOM 239 HA ARG A 16 8.564 0.718 -2.312 1.00 0.00 H +ATOM 240 HB2 ARG A 16 7.115 -0.671 -3.763 1.00 0.00 H +ATOM 241 HB3 ARG A 16 5.791 -0.523 -2.617 1.00 0.00 H +ATOM 242 HG2 ARG A 16 5.857 1.951 -2.979 1.00 0.00 H +ATOM 243 HG3 ARG A 16 7.100 1.731 -4.204 1.00 0.00 H +ATOM 244 HD2 ARG A 16 5.533 0.385 -5.534 1.00 0.00 H +ATOM 245 HD3 ARG A 16 4.293 0.562 -4.283 1.00 0.00 H +ATOM 246 HE ARG A 16 5.293 3.114 -5.162 1.00 0.00 H +ATOM 247 HH11 ARG A 16 3.073 0.618 -6.161 1.00 0.00 H +ATOM 248 HH12 ARG A 16 2.086 1.696 -7.110 1.00 0.00 H +ATOM 249 HH21 ARG A 16 4.029 4.490 -6.397 1.00 0.00 H +ATOM 250 HH22 ARG A 16 2.642 3.867 -7.235 1.00 0.00 H +ATOM 251 N PRO A 17 7.386 2.375 -0.671 1.00 0.00 N +ATOM 252 CA PRO A 17 6.796 3.253 0.346 1.00 0.00 C +ATOM 253 C PRO A 17 5.267 3.389 0.203 1.00 0.00 C +ATOM 254 O PRO A 17 4.733 3.160 -0.887 1.00 0.00 O +ATOM 255 CB PRO A 17 7.495 4.609 0.170 1.00 0.00 C +ATOM 256 CG PRO A 17 7.932 4.600 -1.293 1.00 0.00 C +ATOM 257 CD PRO A 17 8.291 3.135 -1.522 1.00 0.00 C +ATOM 258 HA PRO A 17 7.029 2.854 1.334 1.00 0.00 H +ATOM 259 HB2 PRO A 17 6.817 5.418 0.362 1.00 0.00 H +ATOM 260 HB3 PRO A 17 8.375 4.651 0.813 1.00 0.00 H +ATOM 261 HG2 PRO A 17 7.132 4.909 -1.938 1.00 0.00 H +ATOM 262 HG3 PRO A 17 8.783 5.259 -1.469 1.00 0.00 H +ATOM 263 HD2 PRO A 17 8.148 2.870 -2.552 1.00 0.00 H +ATOM 264 HD3 PRO A 17 9.319 2.954 -1.207 1.00 0.00 H +ATOM 265 N PRO A 18 4.555 3.783 1.280 1.00 0.00 N +ATOM 266 CA PRO A 18 3.107 3.955 1.251 1.00 0.00 C +ATOM 267 C PRO A 18 2.677 5.165 0.399 1.00 0.00 C +ATOM 268 O PRO A 18 3.440 6.118 0.240 1.00 0.00 O +ATOM 269 CB PRO A 18 2.682 4.114 2.714 1.00 0.00 C +ATOM 270 CG PRO A 18 3.920 4.702 3.385 1.00 0.00 C +ATOM 271 CD PRO A 18 5.071 4.058 2.612 1.00 0.00 C +ATOM 272 HA PRO A 18 2.660 3.050 0.846 1.00 0.00 H +ATOM 273 HB2 PRO A 18 1.846 4.781 2.800 1.00 0.00 H +ATOM 274 HB3 PRO A 18 2.472 3.133 3.140 1.00 0.00 H +ATOM 275 HG2 PRO A 18 3.940 5.770 3.288 1.00 0.00 H +ATOM 276 HG3 PRO A 18 3.960 4.460 4.446 1.00 0.00 H +ATOM 277 HD2 PRO A 18 5.906 4.730 2.557 1.00 0.00 H +ATOM 278 HD3 PRO A 18 5.353 3.118 3.092 1.00 0.00 H +ATOM 279 N PRO A 19 1.446 5.145 -0.145 1.00 0.00 N +ATOM 280 CA PRO A 19 0.886 6.247 -0.912 1.00 0.00 C +ATOM 281 C PRO A 19 0.347 7.353 0.009 1.00 0.00 C +ATOM 282 O PRO A 19 -0.657 7.156 0.691 1.00 0.00 O +ATOM 283 CB PRO A 19 -0.216 5.613 -1.764 1.00 0.00 C +ATOM 284 CG PRO A 19 -0.713 4.453 -0.902 1.00 0.00 C +ATOM 285 CD PRO A 19 0.539 4.007 -0.154 1.00 0.00 C +ATOM 286 HA PRO A 19 1.645 6.666 -1.575 1.00 0.00 H +ATOM 287 HB2 PRO A 19 -1.005 6.315 -1.954 1.00 0.00 H +ATOM 288 HB3 PRO A 19 0.222 5.216 -2.681 1.00 0.00 H +ATOM 289 HG2 PRO A 19 -1.473 4.780 -0.218 1.00 0.00 H +ATOM 290 HG3 PRO A 19 -1.118 3.650 -1.516 1.00 0.00 H +ATOM 291 HD2 PRO A 19 0.289 3.725 0.851 1.00 0.00 H +ATOM 292 HD3 PRO A 19 1.012 3.193 -0.700 1.00 0.00 H +ATOM 293 N SER A 20 0.994 8.526 -0.049 1.00 0.00 N +ATOM 294 CA SER A 20 0.653 9.774 0.659 1.00 0.00 C +ATOM 295 C SER A 20 0.918 9.764 2.177 1.00 0.00 C +ATOM 296 O SER A 20 0.442 10.754 2.789 1.00 0.00 O +ATOM 297 CB SER A 20 -0.786 10.208 0.336 1.00 0.00 C +ATOM 298 OG SER A 20 -0.959 11.455 0.965 1.00 0.00 O +ATOM 299 OXT SER A 20 1.603 8.846 2.675 1.00 0.00 O +ATOM 300 H SER A 20 1.867 8.518 -0.553 1.00 0.00 H +ATOM 301 HA SER A 20 1.307 10.553 0.271 1.00 0.00 H +ATOM 302 HB2 SER A 20 -0.919 10.302 -0.725 1.00 0.00 H +ATOM 303 HB3 SER A 20 -1.495 9.494 0.758 1.00 0.00 H +ATOM 304 HG SER A 20 -0.420 11.315 1.824 1.00 0.00 H +TER 305 SER A 20 +ENDMDL +MODEL 17 +ATOM 1 N ASN A 1 -8.598 5.262 -0.292 1.00 0.00 N +ATOM 2 CA ASN A 1 -8.658 3.999 -1.068 1.00 0.00 C +ATOM 3 C ASN A 1 -7.282 3.479 -1.479 1.00 0.00 C +ATOM 4 O ASN A 1 -7.038 2.293 -1.290 1.00 0.00 O +ATOM 5 CB ASN A 1 -9.633 4.090 -2.256 1.00 0.00 C +ATOM 6 CG ASN A 1 -11.034 3.705 -1.797 1.00 0.00 C +ATOM 7 OD1 ASN A 1 -11.203 2.706 -1.121 1.00 0.00 O +ATOM 8 ND2 ASN A 1 -12.056 4.485 -2.091 1.00 0.00 N +ATOM 9 H1 ASN A 1 -7.871 5.210 0.409 1.00 0.00 H +ATOM 10 H2 ASN A 1 -8.409 6.043 -0.906 1.00 0.00 H +ATOM 11 H3 ASN A 1 -9.483 5.425 0.171 1.00 0.00 H +ATOM 12 HA ASN A 1 -9.048 3.224 -0.405 1.00 0.00 H +ATOM 13 HB2 ASN A 1 -9.644 5.095 -2.633 1.00 0.00 H +ATOM 14 HB3 ASN A 1 -9.339 3.378 -3.028 1.00 0.00 H +ATOM 15 HD21 ASN A 1 -11.996 5.318 -2.653 1.00 0.00 H +ATOM 16 HD22 ASN A 1 -12.946 4.132 -1.770 1.00 0.00 H +ATOM 17 N LEU A 2 -6.367 4.322 -1.982 1.00 0.00 N +ATOM 18 CA LEU A 2 -5.025 3.900 -2.419 1.00 0.00 C +ATOM 19 C LEU A 2 -4.243 3.096 -1.364 1.00 0.00 C +ATOM 20 O LEU A 2 -3.570 2.120 -1.698 1.00 0.00 O +ATOM 21 CB LEU A 2 -4.224 5.145 -2.840 1.00 0.00 C +ATOM 22 CG LEU A 2 -4.672 5.767 -4.178 1.00 0.00 C +ATOM 23 CD1 LEU A 2 -3.897 7.063 -4.418 1.00 0.00 C +ATOM 24 CD2 LEU A 2 -4.426 4.814 -5.354 1.00 0.00 C +ATOM 25 H LEU A 2 -6.595 5.288 -2.162 1.00 0.00 H +ATOM 26 HA LEU A 2 -5.133 3.236 -3.278 1.00 0.00 H +ATOM 27 HB2 LEU A 2 -4.329 5.887 -2.073 1.00 0.00 H +ATOM 28 HB3 LEU A 2 -3.170 4.876 -2.925 1.00 0.00 H +ATOM 29 HG LEU A 2 -5.734 6.008 -4.131 1.00 0.00 H +ATOM 30 HD11 LEU A 2 -4.056 7.754 -3.588 1.00 0.00 H +ATOM 31 HD12 LEU A 2 -2.832 6.853 -4.509 1.00 0.00 H +ATOM 32 HD13 LEU A 2 -4.248 7.538 -5.334 1.00 0.00 H +ATOM 33 HD21 LEU A 2 -3.421 4.393 -5.292 1.00 0.00 H +ATOM 34 HD22 LEU A 2 -5.156 4.005 -5.345 1.00 0.00 H +ATOM 35 HD23 LEU A 2 -4.526 5.349 -6.297 1.00 0.00 H +ATOM 36 N TYR A 3 -4.383 3.462 -0.084 1.00 0.00 N +ATOM 37 CA TYR A 3 -3.757 2.758 1.034 1.00 0.00 C +ATOM 38 C TYR A 3 -4.175 1.279 1.120 1.00 0.00 C +ATOM 39 O TYR A 3 -3.350 0.425 1.441 1.00 0.00 O +ATOM 40 CB TYR A 3 -4.083 3.494 2.342 1.00 0.00 C +ATOM 41 CG TYR A 3 -3.021 3.296 3.403 1.00 0.00 C +ATOM 42 CD1 TYR A 3 -1.860 4.092 3.363 1.00 0.00 C +ATOM 43 CD2 TYR A 3 -3.175 2.317 4.405 1.00 0.00 C +ATOM 44 CE1 TYR A 3 -0.846 3.906 4.317 1.00 0.00 C +ATOM 45 CE2 TYR A 3 -2.162 2.132 5.366 1.00 0.00 C +ATOM 46 CZ TYR A 3 -0.992 2.923 5.318 1.00 0.00 C +ATOM 47 OH TYR A 3 0.011 2.729 6.217 1.00 0.00 O +ATOM 48 H TYR A 3 -4.910 4.298 0.109 1.00 0.00 H +ATOM 49 HA TYR A 3 -2.678 2.791 0.884 1.00 0.00 H +ATOM 50 HB2 TYR A 3 -4.169 4.543 2.134 1.00 0.00 H +ATOM 51 HB3 TYR A 3 -5.054 3.166 2.719 1.00 0.00 H +ATOM 52 HD1 TYR A 3 -1.741 4.850 2.600 1.00 0.00 H +ATOM 53 HD2 TYR A 3 -4.067 1.705 4.436 1.00 0.00 H +ATOM 54 HE1 TYR A 3 0.050 4.506 4.296 1.00 0.00 H +ATOM 55 HE2 TYR A 3 -2.281 1.396 6.145 1.00 0.00 H +ATOM 56 HH TYR A 3 -0.092 1.913 6.709 1.00 0.00 H +ATOM 57 N ILE A 4 -5.434 0.963 0.782 1.00 0.00 N +ATOM 58 CA ILE A 4 -5.959 -0.407 0.754 1.00 0.00 C +ATOM 59 C ILE A 4 -5.234 -1.224 -0.323 1.00 0.00 C +ATOM 60 O ILE A 4 -4.791 -2.341 -0.056 1.00 0.00 O +ATOM 61 CB ILE A 4 -7.489 -0.415 0.505 1.00 0.00 C +ATOM 62 CG1 ILE A 4 -8.287 0.574 1.386 1.00 0.00 C +ATOM 63 CG2 ILE A 4 -8.084 -1.834 0.645 1.00 0.00 C +ATOM 64 CD1 ILE A 4 -7.998 0.474 2.893 1.00 0.00 C +ATOM 65 H ILE A 4 -6.027 1.699 0.419 1.00 0.00 H +ATOM 66 HA ILE A 4 -5.758 -0.874 1.720 1.00 0.00 H +ATOM 67 HB ILE A 4 -7.652 -0.114 -0.531 1.00 0.00 H +ATOM 68 HG12 ILE A 4 -8.051 1.571 1.066 1.00 0.00 H +ATOM 69 HG13 ILE A 4 -9.351 0.403 1.219 1.00 0.00 H +ATOM 70 HG21 ILE A 4 -7.310 -2.600 0.624 1.00 0.00 H +ATOM 71 HG22 ILE A 4 -8.633 -1.940 1.582 1.00 0.00 H +ATOM 72 HG23 ILE A 4 -8.777 -2.015 -0.176 1.00 0.00 H +ATOM 73 HD11 ILE A 4 -7.679 -0.532 3.164 1.00 0.00 H +ATOM 74 HD12 ILE A 4 -7.214 1.179 3.165 1.00 0.00 H +ATOM 75 HD13 ILE A 4 -8.902 0.718 3.451 1.00 0.00 H +ATOM 76 N GLN A 5 -5.082 -0.658 -1.529 1.00 0.00 N +ATOM 77 CA GLN A 5 -4.322 -1.281 -2.612 1.00 0.00 C +ATOM 78 C GLN A 5 -2.862 -1.527 -2.213 1.00 0.00 C +ATOM 79 O GLN A 5 -2.351 -2.625 -2.425 1.00 0.00 O +ATOM 80 CB GLN A 5 -4.396 -0.435 -3.898 1.00 0.00 C +ATOM 81 CG GLN A 5 -5.293 -1.073 -4.971 1.00 0.00 C +ATOM 82 CD GLN A 5 -4.805 -0.728 -6.375 1.00 0.00 C +ATOM 83 OE1 GLN A 5 -4.736 0.424 -6.768 1.00 0.00 O +ATOM 84 NE2 GLN A 5 -4.436 -1.716 -7.169 1.00 0.00 N +ATOM 85 H GLN A 5 -5.436 0.282 -1.657 1.00 0.00 H +ATOM 86 HA GLN A 5 -4.757 -2.263 -2.799 1.00 0.00 H +ATOM 87 HB2 GLN A 5 -4.789 0.532 -3.651 1.00 0.00 H +ATOM 88 HB3 GLN A 5 -3.390 -0.336 -4.310 1.00 0.00 H +ATOM 89 HG2 GLN A 5 -5.281 -2.139 -4.848 1.00 0.00 H +ATOM 90 HG3 GLN A 5 -6.316 -0.718 -4.849 1.00 0.00 H +ATOM 91 HE21 GLN A 5 -4.461 -2.680 -6.883 1.00 0.00 H +ATOM 92 HE22 GLN A 5 -4.101 -1.424 -8.072 1.00 0.00 H +ATOM 93 N TRP A 6 -2.207 -0.530 -1.604 1.00 0.00 N +ATOM 94 CA TRP A 6 -0.837 -0.672 -1.104 1.00 0.00 C +ATOM 95 C TRP A 6 -0.705 -1.777 -0.043 1.00 0.00 C +ATOM 96 O TRP A 6 0.217 -2.593 -0.114 1.00 0.00 O +ATOM 97 CB TRP A 6 -0.347 0.675 -0.564 1.00 0.00 C +ATOM 98 CG TRP A 6 1.007 0.616 0.072 1.00 0.00 C +ATOM 99 CD1 TRP A 6 2.190 0.555 -0.580 1.00 0.00 C +ATOM 100 CD2 TRP A 6 1.332 0.576 1.493 1.00 0.00 C +ATOM 101 NE1 TRP A 6 3.222 0.465 0.337 1.00 0.00 N +ATOM 102 CE2 TRP A 6 2.749 0.489 1.629 1.00 0.00 C +ATOM 103 CE3 TRP A 6 0.572 0.607 2.680 1.00 0.00 C +ATOM 104 CZ2 TRP A 6 3.387 0.464 2.876 1.00 0.00 C +ATOM 105 CZ3 TRP A 6 1.201 0.554 3.937 1.00 0.00 C +ATOM 106 CH2 TRP A 6 2.602 0.496 4.040 1.00 0.00 C +ATOM 107 H TRP A 6 -2.687 0.361 -1.494 1.00 0.00 H +ATOM 108 HA TRP A 6 -0.192 -0.960 -1.936 1.00 0.00 H +ATOM 109 HB2 TRP A 6 -0.308 1.372 -1.379 1.00 0.00 H +ATOM 110 HB3 TRP A 6 -1.057 1.038 0.178 1.00 0.00 H +ATOM 111 HD1 TRP A 6 2.302 0.568 -1.656 1.00 0.00 H +ATOM 112 HE1 TRP A 6 4.213 0.428 0.099 1.00 0.00 H +ATOM 113 HE3 TRP A 6 -0.505 0.677 2.615 1.00 0.00 H +ATOM 114 HZ2 TRP A 6 4.464 0.415 2.929 1.00 0.00 H +ATOM 115 HZ3 TRP A 6 0.600 0.564 4.832 1.00 0.00 H +ATOM 116 HH2 TRP A 6 3.067 0.481 5.014 1.00 0.00 H +ATOM 117 N LEU A 7 -1.635 -1.843 0.921 1.00 0.00 N +ATOM 118 CA LEU A 7 -1.657 -2.918 1.915 1.00 0.00 C +ATOM 119 C LEU A 7 -1.850 -4.300 1.279 1.00 0.00 C +ATOM 120 O LEU A 7 -1.189 -5.245 1.705 1.00 0.00 O +ATOM 121 CB LEU A 7 -2.734 -2.654 2.978 1.00 0.00 C +ATOM 122 CG LEU A 7 -2.362 -1.573 4.010 1.00 0.00 C +ATOM 123 CD1 LEU A 7 -3.534 -1.401 4.981 1.00 0.00 C +ATOM 124 CD2 LEU A 7 -1.117 -1.940 4.827 1.00 0.00 C +ATOM 125 H LEU A 7 -2.351 -1.119 0.959 1.00 0.00 H +ATOM 126 HA LEU A 7 -0.679 -2.957 2.392 1.00 0.00 H +ATOM 127 HB2 LEU A 7 -3.631 -2.344 2.477 1.00 0.00 H +ATOM 128 HB3 LEU A 7 -2.923 -3.583 3.518 1.00 0.00 H +ATOM 129 HG LEU A 7 -2.187 -0.627 3.506 1.00 0.00 H +ATOM 130 HD11 LEU A 7 -4.451 -1.204 4.427 1.00 0.00 H +ATOM 131 HD12 LEU A 7 -3.657 -2.303 5.579 1.00 0.00 H +ATOM 132 HD13 LEU A 7 -3.341 -0.562 5.647 1.00 0.00 H +ATOM 133 HD21 LEU A 7 -1.237 -2.927 5.274 1.00 0.00 H +ATOM 134 HD22 LEU A 7 -0.232 -1.942 4.191 1.00 0.00 H +ATOM 135 HD23 LEU A 7 -0.962 -1.204 5.615 1.00 0.00 H +ATOM 136 N LYS A 8 -2.693 -4.415 0.243 1.00 0.00 N +ATOM 137 CA LYS A 8 -2.927 -5.668 -0.497 1.00 0.00 C +ATOM 138 C LYS A 8 -1.653 -6.277 -1.088 1.00 0.00 C +ATOM 139 O LYS A 8 -1.528 -7.496 -1.107 1.00 0.00 O +ATOM 140 CB LYS A 8 -3.973 -5.432 -1.602 1.00 0.00 C +ATOM 141 CG LYS A 8 -5.211 -6.326 -1.434 1.00 0.00 C +ATOM 142 CD LYS A 8 -6.475 -5.580 -1.872 1.00 0.00 C +ATOM 143 CE LYS A 8 -7.711 -6.420 -1.540 1.00 0.00 C +ATOM 144 NZ LYS A 8 -8.949 -5.755 -2.006 1.00 0.00 N +ATOM 145 H LYS A 8 -3.216 -3.585 -0.025 1.00 0.00 H +ATOM 146 HA LYS A 8 -3.295 -6.407 0.215 1.00 0.00 H +ATOM 147 HB2 LYS A 8 -4.282 -4.405 -1.571 1.00 0.00 H +ATOM 148 HB3 LYS A 8 -3.535 -5.617 -2.585 1.00 0.00 H +ATOM 149 HG2 LYS A 8 -5.095 -7.207 -2.035 1.00 0.00 H +ATOM 150 HG3 LYS A 8 -5.330 -6.615 -0.390 1.00 0.00 H +ATOM 151 HD2 LYS A 8 -6.532 -4.641 -1.355 1.00 0.00 H +ATOM 152 HD3 LYS A 8 -6.425 -5.375 -2.942 1.00 0.00 H +ATOM 153 HE2 LYS A 8 -7.625 -7.376 -2.020 1.00 0.00 H +ATOM 154 HE3 LYS A 8 -7.744 -6.556 -0.456 1.00 0.00 H +ATOM 155 HZ1 LYS A 8 -8.883 -4.758 -1.855 1.00 0.00 H +ATOM 156 HZ2 LYS A 8 -9.086 -5.926 -2.995 1.00 0.00 H +ATOM 157 HZ3 LYS A 8 -9.750 -6.109 -1.500 1.00 0.00 H +ATOM 158 N ASP A 9 -0.716 -5.437 -1.534 1.00 0.00 N +ATOM 159 CA ASP A 9 0.596 -5.859 -2.042 1.00 0.00 C +ATOM 160 C ASP A 9 1.481 -6.488 -0.941 1.00 0.00 C +ATOM 161 O ASP A 9 2.363 -7.284 -1.255 1.00 0.00 O +ATOM 162 CB ASP A 9 1.292 -4.644 -2.692 1.00 0.00 C +ATOM 163 CG ASP A 9 2.005 -4.972 -4.012 1.00 0.00 C +ATOM 164 OD1 ASP A 9 1.283 -5.311 -4.975 1.00 0.00 O +ATOM 165 OD2 ASP A 9 3.245 -4.797 -4.077 1.00 0.00 O +ATOM 166 H ASP A 9 -0.933 -4.447 -1.525 1.00 0.00 H +ATOM 167 HA ASP A 9 0.434 -6.621 -2.808 1.00 0.00 H +ATOM 168 HB2 ASP A 9 0.551 -3.893 -2.885 1.00 0.00 H +ATOM 169 HB3 ASP A 9 2.002 -4.208 -1.987 1.00 0.00 H +ATOM 170 N GLY A 10 1.219 -6.165 0.339 1.00 0.00 N +ATOM 171 CA GLY A 10 2.000 -6.593 1.510 1.00 0.00 C +ATOM 172 C GLY A 10 2.552 -5.441 2.368 1.00 0.00 C +ATOM 173 O GLY A 10 3.421 -5.669 3.222 1.00 0.00 O +ATOM 174 H GLY A 10 0.387 -5.611 0.509 1.00 0.00 H +ATOM 175 HA2 GLY A 10 1.359 -7.205 2.144 1.00 0.00 H +ATOM 176 HA3 GLY A 10 2.843 -7.202 1.190 1.00 0.00 H +ATOM 177 N GLY A 11 2.100 -4.200 2.127 1.00 0.00 N +ATOM 178 CA GLY A 11 2.565 -3.016 2.844 1.00 0.00 C +ATOM 179 C GLY A 11 4.085 -2.823 2.696 1.00 0.00 C +ATOM 180 O GLY A 11 4.601 -2.976 1.581 1.00 0.00 O +ATOM 181 H GLY A 11 1.469 -4.062 1.347 1.00 0.00 H +ATOM 182 HA2 GLY A 11 2.060 -2.134 2.448 1.00 0.00 H +ATOM 183 HA3 GLY A 11 2.283 -3.131 3.889 1.00 0.00 H +ATOM 184 N PRO A 12 4.824 -2.520 3.787 1.00 0.00 N +ATOM 185 CA PRO A 12 6.277 -2.307 3.754 1.00 0.00 C +ATOM 186 C PRO A 12 7.081 -3.495 3.201 1.00 0.00 C +ATOM 187 O PRO A 12 8.203 -3.312 2.737 1.00 0.00 O +ATOM 188 CB PRO A 12 6.699 -2.018 5.204 1.00 0.00 C +ATOM 189 CG PRO A 12 5.406 -1.656 5.929 1.00 0.00 C +ATOM 190 CD PRO A 12 4.342 -2.429 5.160 1.00 0.00 C +ATOM 191 HA PRO A 12 6.486 -1.429 3.142 1.00 0.00 H +ATOM 192 HB2 PRO A 12 7.148 -2.886 5.646 1.00 0.00 H +ATOM 193 HB3 PRO A 12 7.420 -1.199 5.254 1.00 0.00 H +ATOM 194 HG2 PRO A 12 5.441 -1.968 6.955 1.00 0.00 H +ATOM 195 HG3 PRO A 12 5.218 -0.586 5.838 1.00 0.00 H +ATOM 196 HD2 PRO A 12 4.219 -3.410 5.578 1.00 0.00 H +ATOM 197 HD3 PRO A 12 3.387 -1.911 5.231 1.00 0.00 H +ATOM 198 N SER A 13 6.509 -4.707 3.214 1.00 0.00 N +ATOM 199 CA SER A 13 7.159 -5.950 2.773 1.00 0.00 C +ATOM 200 C SER A 13 7.030 -6.225 1.263 1.00 0.00 C +ATOM 201 O SER A 13 7.213 -7.355 0.818 1.00 0.00 O +ATOM 202 CB SER A 13 6.698 -7.124 3.649 1.00 0.00 C +ATOM 203 OG SER A 13 5.331 -7.475 3.506 1.00 0.00 O +ATOM 204 H SER A 13 5.551 -4.762 3.529 1.00 0.00 H +ATOM 205 HA SER A 13 8.229 -5.841 2.949 1.00 0.00 H +ATOM 206 HB2 SER A 13 7.291 -7.982 3.396 1.00 0.00 H +ATOM 207 HB3 SER A 13 6.899 -6.873 4.691 1.00 0.00 H +ATOM 208 HG SER A 13 4.725 -6.704 3.495 1.00 0.00 H +ATOM 209 N SER A 14 6.763 -5.177 0.472 1.00 0.00 N +ATOM 210 CA SER A 14 6.427 -5.256 -0.961 1.00 0.00 C +ATOM 211 C SER A 14 7.393 -4.454 -1.849 1.00 0.00 C +ATOM 212 O SER A 14 7.103 -4.203 -3.018 1.00 0.00 O +ATOM 213 CB SER A 14 4.966 -4.835 -1.209 1.00 0.00 C +ATOM 214 OG SER A 14 4.155 -4.935 -0.060 1.00 0.00 O +ATOM 215 H SER A 14 6.628 -4.294 0.943 1.00 0.00 H +ATOM 216 HA SER A 14 6.505 -6.297 -1.276 1.00 0.00 H +ATOM 217 HB2 SER A 14 4.957 -3.816 -1.545 1.00 0.00 H +ATOM 218 HB3 SER A 14 4.553 -5.447 -2.010 1.00 0.00 H +ATOM 219 HG SER A 14 4.335 -4.165 0.528 1.00 0.00 H +ATOM 220 N GLY A 15 8.524 -3.999 -1.288 1.00 0.00 N +ATOM 221 CA GLY A 15 9.526 -3.183 -1.983 1.00 0.00 C +ATOM 222 C GLY A 15 9.030 -1.786 -2.384 1.00 0.00 C +ATOM 223 O GLY A 15 9.571 -1.198 -3.319 1.00 0.00 O +ATOM 224 H GLY A 15 8.702 -4.280 -0.334 1.00 0.00 H +ATOM 225 HA2 GLY A 15 10.392 -3.054 -1.335 1.00 0.00 H +ATOM 226 HA3 GLY A 15 9.855 -3.702 -2.884 1.00 0.00 H +ATOM 227 N ARG A 16 7.999 -1.262 -1.701 1.00 0.00 N +ATOM 228 CA ARG A 16 7.349 0.019 -2.007 1.00 0.00 C +ATOM 229 C ARG A 16 6.893 0.760 -0.731 1.00 0.00 C +ATOM 230 O ARG A 16 6.219 0.163 0.112 1.00 0.00 O +ATOM 231 CB ARG A 16 6.178 -0.191 -2.987 1.00 0.00 C +ATOM 232 CG ARG A 16 5.135 -1.203 -2.490 1.00 0.00 C +ATOM 233 CD ARG A 16 3.984 -1.428 -3.468 1.00 0.00 C +ATOM 234 NE ARG A 16 4.422 -2.198 -4.644 1.00 0.00 N +ATOM 235 CZ ARG A 16 3.985 -2.079 -5.889 1.00 0.00 C +ATOM 236 NH1 ARG A 16 3.095 -1.174 -6.226 1.00 0.00 N +ATOM 237 NH2 ARG A 16 4.443 -2.867 -6.829 1.00 0.00 N +ATOM 238 H ARG A 16 7.637 -1.808 -0.931 1.00 0.00 H +ATOM 239 HA ARG A 16 8.087 0.627 -2.526 1.00 0.00 H +ATOM 240 HB2 ARG A 16 5.690 0.752 -3.140 1.00 0.00 H +ATOM 241 HB3 ARG A 16 6.587 -0.548 -3.935 1.00 0.00 H +ATOM 242 HG2 ARG A 16 5.627 -2.142 -2.323 1.00 0.00 H +ATOM 243 HG3 ARG A 16 4.707 -0.869 -1.550 1.00 0.00 H +ATOM 244 HD2 ARG A 16 3.202 -1.967 -2.969 1.00 0.00 H +ATOM 245 HD3 ARG A 16 3.580 -0.460 -3.754 1.00 0.00 H +ATOM 246 HE ARG A 16 4.950 -3.039 -4.447 1.00 0.00 H +ATOM 247 HH11 ARG A 16 2.699 -0.623 -5.487 1.00 0.00 H +ATOM 248 HH12 ARG A 16 2.736 -1.119 -7.160 1.00 0.00 H +ATOM 249 HH21 ARG A 16 5.052 -3.623 -6.563 1.00 0.00 H +ATOM 250 HH22 ARG A 16 4.097 -2.799 -7.766 1.00 0.00 H +ATOM 251 N PRO A 17 7.222 2.058 -0.583 1.00 0.00 N +ATOM 252 CA PRO A 17 6.818 2.862 0.570 1.00 0.00 C +ATOM 253 C PRO A 17 5.308 3.175 0.566 1.00 0.00 C +ATOM 254 O PRO A 17 4.649 2.986 -0.461 1.00 0.00 O +ATOM 255 CB PRO A 17 7.668 4.136 0.467 1.00 0.00 C +ATOM 256 CG PRO A 17 7.903 4.302 -1.030 1.00 0.00 C +ATOM 257 CD PRO A 17 7.972 2.866 -1.536 1.00 0.00 C +ATOM 258 HA PRO A 17 7.067 2.330 1.490 1.00 0.00 H +ATOM 259 HB2 PRO A 17 7.140 4.980 0.866 1.00 0.00 H +ATOM 260 HB3 PRO A 17 8.622 3.973 0.971 1.00 0.00 H +ATOM 261 HG2 PRO A 17 7.092 4.833 -1.490 1.00 0.00 H +ATOM 262 HG3 PRO A 17 8.828 4.841 -1.235 1.00 0.00 H +ATOM 263 HD2 PRO A 17 7.531 2.795 -2.511 1.00 0.00 H +ATOM 264 HD3 PRO A 17 9.009 2.530 -1.559 1.00 0.00 H +ATOM 265 N PRO A 18 4.746 3.667 1.690 1.00 0.00 N +ATOM 266 CA PRO A 18 3.331 4.024 1.786 1.00 0.00 C +ATOM 267 C PRO A 18 2.969 5.219 0.879 1.00 0.00 C +ATOM 268 O PRO A 18 3.752 6.167 0.773 1.00 0.00 O +ATOM 269 CB PRO A 18 3.081 4.342 3.265 1.00 0.00 C +ATOM 270 CG PRO A 18 4.457 4.738 3.793 1.00 0.00 C +ATOM 271 CD PRO A 18 5.409 3.874 2.971 1.00 0.00 C +ATOM 272 HA PRO A 18 2.737 3.158 1.511 1.00 0.00 H +ATOM 273 HB2 PRO A 18 2.385 5.152 3.369 1.00 0.00 H +ATOM 274 HB3 PRO A 18 2.740 3.441 3.778 1.00 0.00 H +ATOM 275 HG2 PRO A 18 4.646 5.781 3.629 1.00 0.00 H +ATOM 276 HG3 PRO A 18 4.557 4.542 4.860 1.00 0.00 H +ATOM 277 HD2 PRO A 18 6.346 4.379 2.831 1.00 0.00 H +ATOM 278 HD3 PRO A 18 5.554 2.911 3.463 1.00 0.00 H +ATOM 279 N PRO A 19 1.774 5.216 0.253 1.00 0.00 N +ATOM 280 CA PRO A 19 1.314 6.299 -0.608 1.00 0.00 C +ATOM 281 C PRO A 19 0.874 7.500 0.242 1.00 0.00 C +ATOM 282 O PRO A 19 -0.165 7.445 0.901 1.00 0.00 O +ATOM 283 CB PRO A 19 0.174 5.693 -1.433 1.00 0.00 C +ATOM 284 CG PRO A 19 -0.436 4.648 -0.498 1.00 0.00 C +ATOM 285 CD PRO A 19 0.761 4.170 0.330 1.00 0.00 C +ATOM 286 HA PRO A 19 2.114 6.607 -1.283 1.00 0.00 H +ATOM 287 HB2 PRO A 19 -0.549 6.442 -1.694 1.00 0.00 H +ATOM 288 HB3 PRO A 19 0.591 5.191 -2.307 1.00 0.00 H +ATOM 289 HG2 PRO A 19 -1.187 5.087 0.130 1.00 0.00 H +ATOM 290 HG3 PRO A 19 -0.891 3.829 -1.053 1.00 0.00 H +ATOM 291 HD2 PRO A 19 0.466 4.016 1.350 1.00 0.00 H +ATOM 292 HD3 PRO A 19 1.161 3.257 -0.105 1.00 0.00 H +ATOM 293 N SER A 20 1.692 8.561 0.244 1.00 0.00 N +ATOM 294 CA SER A 20 1.395 9.850 0.892 1.00 0.00 C +ATOM 295 C SER A 20 0.641 10.781 -0.057 1.00 0.00 C +ATOM 296 O SER A 20 1.191 11.035 -1.153 1.00 0.00 O +ATOM 297 CB SER A 20 2.675 10.542 1.362 1.00 0.00 C +ATOM 298 OG SER A 20 3.385 9.705 2.254 1.00 0.00 O +ATOM 299 OXT SER A 20 -0.453 11.237 0.341 1.00 0.00 O +ATOM 300 H SER A 20 2.495 8.530 -0.365 1.00 0.00 H +ATOM 301 HA SER A 20 0.748 9.687 1.754 1.00 0.00 H +ATOM 302 HB2 SER A 20 3.293 10.759 0.512 1.00 0.00 H +ATOM 303 HB3 SER A 20 2.412 11.474 1.867 1.00 0.00 H +ATOM 304 HG SER A 20 3.522 8.859 1.817 1.00 0.00 H +TER 305 SER A 20 +ENDMDL +MODEL 18 +ATOM 1 N ASN A 1 -4.790 8.442 0.249 1.00 0.00 N +ATOM 2 CA ASN A 1 -5.686 7.485 -0.453 1.00 0.00 C +ATOM 3 C ASN A 1 -4.849 6.300 -0.965 1.00 0.00 C +ATOM 4 O ASN A 1 -3.693 6.208 -0.570 1.00 0.00 O +ATOM 5 CB ASN A 1 -6.519 8.196 -1.544 1.00 0.00 C +ATOM 6 CG ASN A 1 -7.833 7.461 -1.812 1.00 0.00 C +ATOM 7 OD1 ASN A 1 -7.853 6.422 -2.450 1.00 0.00 O +ATOM 8 ND2 ASN A 1 -8.951 7.930 -1.294 1.00 0.00 N +ATOM 9 H1 ASN A 1 -4.244 7.939 0.938 1.00 0.00 H +ATOM 10 H2 ASN A 1 -4.142 8.858 -0.406 1.00 0.00 H +ATOM 11 H3 ASN A 1 -5.325 9.168 0.704 1.00 0.00 H +ATOM 12 HA ASN A 1 -6.383 7.080 0.282 1.00 0.00 H +ATOM 13 HB2 ASN A 1 -6.738 9.195 -1.220 1.00 0.00 H +ATOM 14 HB3 ASN A 1 -5.944 8.259 -2.469 1.00 0.00 H +ATOM 15 HD21 ASN A 1 -9.019 8.786 -0.768 1.00 0.00 H +ATOM 16 HD22 ASN A 1 -9.770 7.389 -1.524 1.00 0.00 H +ATOM 17 N LEU A 2 -5.405 5.376 -1.765 1.00 0.00 N +ATOM 18 CA LEU A 2 -4.751 4.202 -2.378 1.00 0.00 C +ATOM 19 C LEU A 2 -4.144 3.169 -1.390 1.00 0.00 C +ATOM 20 O LEU A 2 -3.662 2.112 -1.794 1.00 0.00 O +ATOM 21 CB LEU A 2 -3.724 4.701 -3.418 1.00 0.00 C +ATOM 22 CG LEU A 2 -3.530 3.738 -4.610 1.00 0.00 C +ATOM 23 CD1 LEU A 2 -4.310 4.230 -5.834 1.00 0.00 C +ATOM 24 CD2 LEU A 2 -2.051 3.617 -4.978 1.00 0.00 C +ATOM 25 H LEU A 2 -6.367 5.541 -2.065 1.00 0.00 H +ATOM 26 HA LEU A 2 -5.530 3.669 -2.924 1.00 0.00 H +ATOM 27 HB2 LEU A 2 -4.059 5.647 -3.798 1.00 0.00 H +ATOM 28 HB3 LEU A 2 -2.776 4.864 -2.910 1.00 0.00 H +ATOM 29 HG LEU A 2 -3.896 2.747 -4.351 1.00 0.00 H +ATOM 30 HD11 LEU A 2 -5.363 4.348 -5.581 1.00 0.00 H +ATOM 31 HD12 LEU A 2 -3.911 5.184 -6.179 1.00 0.00 H +ATOM 32 HD13 LEU A 2 -4.230 3.497 -6.639 1.00 0.00 H +ATOM 33 HD21 LEU A 2 -1.642 4.598 -5.223 1.00 0.00 H +ATOM 34 HD22 LEU A 2 -1.504 3.192 -4.138 1.00 0.00 H +ATOM 35 HD23 LEU A 2 -1.942 2.955 -5.838 1.00 0.00 H +ATOM 36 N TYR A 3 -4.199 3.443 -0.085 1.00 0.00 N +ATOM 37 CA TYR A 3 -3.520 2.704 0.978 1.00 0.00 C +ATOM 38 C TYR A 3 -3.955 1.233 1.067 1.00 0.00 C +ATOM 39 O TYR A 3 -3.129 0.359 1.321 1.00 0.00 O +ATOM 40 CB TYR A 3 -3.753 3.449 2.303 1.00 0.00 C +ATOM 41 CG TYR A 3 -2.583 3.372 3.262 1.00 0.00 C +ATOM 42 CD1 TYR A 3 -2.356 2.199 4.004 1.00 0.00 C +ATOM 43 CD2 TYR A 3 -1.718 4.476 3.408 1.00 0.00 C +ATOM 44 CE1 TYR A 3 -1.265 2.121 4.888 1.00 0.00 C +ATOM 45 CE2 TYR A 3 -0.634 4.408 4.303 1.00 0.00 C +ATOM 46 CZ TYR A 3 -0.399 3.225 5.036 1.00 0.00 C +ATOM 47 OH TYR A 3 0.654 3.151 5.892 1.00 0.00 O +ATOM 48 H TYR A 3 -4.531 4.367 0.144 1.00 0.00 H +ATOM 49 HA TYR A 3 -2.450 2.720 0.763 1.00 0.00 H +ATOM 50 HB2 TYR A 3 -3.942 4.482 2.082 1.00 0.00 H +ATOM 51 HB3 TYR A 3 -4.647 3.061 2.792 1.00 0.00 H +ATOM 52 HD1 TYR A 3 -3.021 1.359 3.886 1.00 0.00 H +ATOM 53 HD2 TYR A 3 -1.875 5.381 2.835 1.00 0.00 H +ATOM 54 HE1 TYR A 3 -1.080 1.223 5.456 1.00 0.00 H +ATOM 55 HE2 TYR A 3 0.025 5.255 4.425 1.00 0.00 H +ATOM 56 HH TYR A 3 0.402 3.418 6.779 1.00 0.00 H +ATOM 57 N ILE A 4 -5.239 0.944 0.809 1.00 0.00 N +ATOM 58 CA ILE A 4 -5.793 -0.418 0.803 1.00 0.00 C +ATOM 59 C ILE A 4 -5.137 -1.278 -0.294 1.00 0.00 C +ATOM 60 O ILE A 4 -4.777 -2.429 -0.051 1.00 0.00 O +ATOM 61 CB ILE A 4 -7.337 -0.377 0.654 1.00 0.00 C +ATOM 62 CG1 ILE A 4 -8.002 0.564 1.695 1.00 0.00 C +ATOM 63 CG2 ILE A 4 -7.933 -1.789 0.786 1.00 0.00 C +ATOM 64 CD1 ILE A 4 -8.600 1.821 1.047 1.00 0.00 C +ATOM 65 H ILE A 4 -5.855 1.722 0.628 1.00 0.00 H +ATOM 66 HA ILE A 4 -5.561 -0.884 1.762 1.00 0.00 H +ATOM 67 HB ILE A 4 -7.578 -0.019 -0.348 1.00 0.00 H +ATOM 68 HG12 ILE A 4 -8.786 0.027 2.194 1.00 0.00 H +ATOM 69 HG13 ILE A 4 -7.278 0.868 2.451 1.00 0.00 H +ATOM 70 HG21 ILE A 4 -7.587 -2.427 -0.028 1.00 0.00 H +ATOM 71 HG22 ILE A 4 -7.641 -2.235 1.738 1.00 0.00 H +ATOM 72 HG23 ILE A 4 -9.023 -1.740 0.735 1.00 0.00 H +ATOM 73 HD11 ILE A 4 -7.889 2.268 0.350 1.00 0.00 H +ATOM 74 HD12 ILE A 4 -9.514 1.556 0.511 1.00 0.00 H +ATOM 75 HD13 ILE A 4 -8.845 2.548 1.821 1.00 0.00 H +ATOM 76 N GLN A 5 -4.930 -0.702 -1.487 1.00 0.00 N +ATOM 77 CA GLN A 5 -4.240 -1.358 -2.602 1.00 0.00 C +ATOM 78 C GLN A 5 -2.757 -1.594 -2.286 1.00 0.00 C +ATOM 79 O GLN A 5 -2.238 -2.664 -2.596 1.00 0.00 O +ATOM 80 CB GLN A 5 -4.402 -0.514 -3.877 1.00 0.00 C +ATOM 81 CG GLN A 5 -5.825 -0.583 -4.457 1.00 0.00 C +ATOM 82 CD GLN A 5 -6.299 0.780 -4.949 1.00 0.00 C +ATOM 83 OE1 GLN A 5 -5.987 1.219 -6.043 1.00 0.00 O +ATOM 84 NE2 GLN A 5 -7.068 1.504 -4.156 1.00 0.00 N +ATOM 85 H GLN A 5 -5.142 0.280 -1.577 1.00 0.00 H +ATOM 86 HA GLN A 5 -4.690 -2.336 -2.774 1.00 0.00 H +ATOM 87 HB2 GLN A 5 -4.176 0.508 -3.643 1.00 0.00 H +ATOM 88 HB3 GLN A 5 -3.702 -0.864 -4.637 1.00 0.00 H +ATOM 89 HG2 GLN A 5 -5.832 -1.272 -5.280 1.00 0.00 H +ATOM 90 HG3 GLN A 5 -6.527 -0.953 -3.709 1.00 0.00 H +ATOM 91 HE21 GLN A 5 -7.405 1.166 -3.274 1.00 0.00 H +ATOM 92 HE22 GLN A 5 -7.384 2.362 -4.578 1.00 0.00 H +ATOM 93 N TRP A 6 -2.087 -0.635 -1.631 1.00 0.00 N +ATOM 94 CA TRP A 6 -0.718 -0.822 -1.137 1.00 0.00 C +ATOM 95 C TRP A 6 -0.625 -1.935 -0.078 1.00 0.00 C +ATOM 96 O TRP A 6 0.234 -2.811 -0.181 1.00 0.00 O +ATOM 97 CB TRP A 6 -0.169 0.510 -0.615 1.00 0.00 C +ATOM 98 CG TRP A 6 1.231 0.448 -0.086 1.00 0.00 C +ATOM 99 CD1 TRP A 6 2.357 0.390 -0.836 1.00 0.00 C +ATOM 100 CD2 TRP A 6 1.678 0.412 1.305 1.00 0.00 C +ATOM 101 NE1 TRP A 6 3.461 0.324 -0.009 1.00 0.00 N +ATOM 102 CE2 TRP A 6 3.102 0.345 1.317 1.00 0.00 C +ATOM 103 CE3 TRP A 6 1.032 0.434 2.562 1.00 0.00 C +ATOM 104 CZ2 TRP A 6 3.852 0.322 2.500 1.00 0.00 C +ATOM 105 CZ3 TRP A 6 1.773 0.390 3.759 1.00 0.00 C +ATOM 106 CH2 TRP A 6 3.179 0.343 3.732 1.00 0.00 C +ATOM 107 H TRP A 6 -2.569 0.238 -1.442 1.00 0.00 H +ATOM 108 HA TRP A 6 -0.091 -1.137 -1.973 1.00 0.00 H +ATOM 109 HB2 TRP A 6 -0.191 1.219 -1.420 1.00 0.00 H +ATOM 110 HB3 TRP A 6 -0.817 0.881 0.178 1.00 0.00 H +ATOM 111 HD1 TRP A 6 2.382 0.389 -1.919 1.00 0.00 H +ATOM 112 HE1 TRP A 6 4.439 0.289 -0.304 1.00 0.00 H +ATOM 113 HE3 TRP A 6 -0.045 0.494 2.594 1.00 0.00 H +ATOM 114 HZ2 TRP A 6 4.931 0.270 2.447 1.00 0.00 H +ATOM 115 HZ3 TRP A 6 1.262 0.416 4.711 1.00 0.00 H +ATOM 116 HH2 TRP A 6 3.741 0.324 4.655 1.00 0.00 H +ATOM 117 N LEU A 7 -1.535 -1.954 0.908 1.00 0.00 N +ATOM 118 CA LEU A 7 -1.599 -3.028 1.905 1.00 0.00 C +ATOM 119 C LEU A 7 -1.859 -4.404 1.277 1.00 0.00 C +ATOM 120 O LEU A 7 -1.246 -5.374 1.719 1.00 0.00 O +ATOM 121 CB LEU A 7 -2.653 -2.718 2.982 1.00 0.00 C +ATOM 122 CG LEU A 7 -2.238 -1.612 3.971 1.00 0.00 C +ATOM 123 CD1 LEU A 7 -3.451 -1.213 4.816 1.00 0.00 C +ATOM 124 CD2 LEU A 7 -1.124 -2.058 4.928 1.00 0.00 C +ATOM 125 H LEU A 7 -2.199 -1.184 0.968 1.00 0.00 H +ATOM 126 HA LEU A 7 -0.619 -3.101 2.378 1.00 0.00 H +ATOM 127 HB2 LEU A 7 -3.556 -2.409 2.491 1.00 0.00 H +ATOM 128 HB3 LEU A 7 -2.850 -3.627 3.553 1.00 0.00 H +ATOM 129 HG LEU A 7 -1.894 -0.741 3.419 1.00 0.00 H +ATOM 130 HD11 LEU A 7 -4.238 -0.826 4.169 1.00 0.00 H +ATOM 131 HD12 LEU A 7 -3.830 -2.080 5.360 1.00 0.00 H +ATOM 132 HD13 LEU A 7 -3.169 -0.442 5.533 1.00 0.00 H +ATOM 133 HD21 LEU A 7 -1.484 -2.855 5.579 1.00 0.00 H +ATOM 134 HD22 LEU A 7 -0.258 -2.415 4.373 1.00 0.00 H +ATOM 135 HD23 LEU A 7 -0.808 -1.215 5.538 1.00 0.00 H +ATOM 136 N LYS A 8 -2.699 -4.500 0.231 1.00 0.00 N +ATOM 137 CA LYS A 8 -2.961 -5.760 -0.490 1.00 0.00 C +ATOM 138 C LYS A 8 -1.682 -6.440 -0.992 1.00 0.00 C +ATOM 139 O LYS A 8 -1.618 -7.666 -1.015 1.00 0.00 O +ATOM 140 CB LYS A 8 -3.959 -5.521 -1.641 1.00 0.00 C +ATOM 141 CG LYS A 8 -4.419 -6.827 -2.322 1.00 0.00 C +ATOM 142 CD LYS A 8 -3.630 -7.226 -3.585 1.00 0.00 C +ATOM 143 CE LYS A 8 -4.103 -6.440 -4.814 1.00 0.00 C +ATOM 144 NZ LYS A 8 -3.568 -7.025 -6.066 1.00 0.00 N +ATOM 145 H LYS A 8 -3.215 -3.664 -0.036 1.00 0.00 H +ATOM 146 HA LYS A 8 -3.413 -6.457 0.217 1.00 0.00 H +ATOM 147 HB2 LYS A 8 -4.821 -5.019 -1.247 1.00 0.00 H +ATOM 148 HB3 LYS A 8 -3.524 -4.853 -2.384 1.00 0.00 H +ATOM 149 HG2 LYS A 8 -4.327 -7.623 -1.608 1.00 0.00 H +ATOM 150 HG3 LYS A 8 -5.470 -6.727 -2.593 1.00 0.00 H +ATOM 151 HD2 LYS A 8 -2.588 -7.026 -3.423 1.00 0.00 H +ATOM 152 HD3 LYS A 8 -3.798 -8.290 -3.759 1.00 0.00 H +ATOM 153 HE2 LYS A 8 -5.175 -6.459 -4.850 1.00 0.00 H +ATOM 154 HE3 LYS A 8 -3.782 -5.399 -4.713 1.00 0.00 H +ATOM 155 HZ1 LYS A 8 -2.555 -6.986 -6.067 1.00 0.00 H +ATOM 156 HZ2 LYS A 8 -3.851 -7.992 -6.145 1.00 0.00 H +ATOM 157 HZ3 LYS A 8 -3.914 -6.519 -6.870 1.00 0.00 H +ATOM 158 N ASP A 9 -0.674 -5.659 -1.382 1.00 0.00 N +ATOM 159 CA ASP A 9 0.615 -6.165 -1.853 1.00 0.00 C +ATOM 160 C ASP A 9 1.571 -6.567 -0.705 1.00 0.00 C +ATOM 161 O ASP A 9 2.686 -7.014 -0.969 1.00 0.00 O +ATOM 162 CB ASP A 9 1.231 -5.098 -2.777 1.00 0.00 C +ATOM 163 CG ASP A 9 2.189 -5.711 -3.799 1.00 0.00 C +ATOM 164 OD1 ASP A 9 1.663 -6.222 -4.813 1.00 0.00 O +ATOM 165 OD2 ASP A 9 3.416 -5.646 -3.568 1.00 0.00 O +ATOM 166 H ASP A 9 -0.796 -4.654 -1.332 1.00 0.00 H +ATOM 167 HA ASP A 9 0.438 -7.059 -2.454 1.00 0.00 H +ATOM 168 HB2 ASP A 9 0.441 -4.595 -3.301 1.00 0.00 H +ATOM 169 HB3 ASP A 9 1.736 -4.335 -2.183 1.00 0.00 H +ATOM 170 N GLY A 10 1.188 -6.375 0.570 1.00 0.00 N +ATOM 171 CA GLY A 10 2.022 -6.675 1.745 1.00 0.00 C +ATOM 172 C GLY A 10 2.601 -5.455 2.475 1.00 0.00 C +ATOM 173 O GLY A 10 3.441 -5.624 3.363 1.00 0.00 O +ATOM 174 H GLY A 10 0.253 -6.015 0.741 1.00 0.00 H +ATOM 175 HA2 GLY A 10 1.412 -7.227 2.460 1.00 0.00 H +ATOM 176 HA3 GLY A 10 2.853 -7.319 1.458 1.00 0.00 H +ATOM 177 N GLY A 11 2.171 -4.233 2.128 1.00 0.00 N +ATOM 178 CA GLY A 11 2.595 -2.981 2.757 1.00 0.00 C +ATOM 179 C GLY A 11 4.126 -2.821 2.820 1.00 0.00 C +ATOM 180 O GLY A 11 4.764 -2.728 1.772 1.00 0.00 O +ATOM 181 H GLY A 11 1.579 -4.166 1.309 1.00 0.00 H +ATOM 182 HA2 GLY A 11 2.194 -2.157 2.171 1.00 0.00 H +ATOM 183 HA3 GLY A 11 2.155 -2.927 3.750 1.00 0.00 H +ATOM 184 N PRO A 12 4.762 -2.798 4.014 1.00 0.00 N +ATOM 185 CA PRO A 12 6.222 -2.711 4.128 1.00 0.00 C +ATOM 186 C PRO A 12 6.985 -3.820 3.384 1.00 0.00 C +ATOM 187 O PRO A 12 8.141 -3.624 3.019 1.00 0.00 O +ATOM 188 CB PRO A 12 6.536 -2.771 5.628 1.00 0.00 C +ATOM 189 CG PRO A 12 5.232 -2.347 6.300 1.00 0.00 C +ATOM 190 CD PRO A 12 4.159 -2.854 5.339 1.00 0.00 C +ATOM 191 HA PRO A 12 6.541 -1.745 3.735 1.00 0.00 H +ATOM 192 HB2 PRO A 12 6.809 -3.767 5.920 1.00 0.00 H +ATOM 193 HB3 PRO A 12 7.357 -2.104 5.890 1.00 0.00 H +ATOM 194 HG2 PRO A 12 5.131 -2.805 7.265 1.00 0.00 H +ATOM 195 HG3 PRO A 12 5.189 -1.259 6.357 1.00 0.00 H +ATOM 196 HD2 PRO A 12 3.884 -3.862 5.583 1.00 0.00 H +ATOM 197 HD3 PRO A 12 3.274 -2.223 5.414 1.00 0.00 H +ATOM 198 N SER A 13 6.349 -4.977 3.147 1.00 0.00 N +ATOM 199 CA SER A 13 6.954 -6.124 2.463 1.00 0.00 C +ATOM 200 C SER A 13 6.833 -6.062 0.928 1.00 0.00 C +ATOM 201 O SER A 13 7.261 -6.986 0.242 1.00 0.00 O +ATOM 202 CB SER A 13 6.368 -7.420 3.048 1.00 0.00 C +ATOM 203 OG SER A 13 7.404 -8.335 3.350 1.00 0.00 O +ATOM 204 H SER A 13 5.372 -5.058 3.425 1.00 0.00 H +ATOM 205 HA SER A 13 8.023 -6.116 2.682 1.00 0.00 H +ATOM 206 HB2 SER A 13 5.826 -7.190 3.945 1.00 0.00 H +ATOM 207 HB3 SER A 13 5.665 -7.873 2.347 1.00 0.00 H +ATOM 208 HG SER A 13 7.993 -7.938 3.997 1.00 0.00 H +ATOM 209 N SER A 14 6.285 -4.971 0.375 1.00 0.00 N +ATOM 210 CA SER A 14 5.996 -4.784 -1.057 1.00 0.00 C +ATOM 211 C SER A 14 7.108 -4.082 -1.850 1.00 0.00 C +ATOM 212 O SER A 14 6.920 -3.757 -3.019 1.00 0.00 O +ATOM 213 CB SER A 14 4.711 -3.968 -1.193 1.00 0.00 C +ATOM 214 OG SER A 14 3.682 -4.612 -0.483 1.00 0.00 O +ATOM 215 H SER A 14 5.894 -4.268 0.998 1.00 0.00 H +ATOM 216 HA SER A 14 5.825 -5.757 -1.521 1.00 0.00 H +ATOM 217 HB2 SER A 14 4.865 -2.985 -0.791 1.00 0.00 H +ATOM 218 HB3 SER A 14 4.431 -3.871 -2.241 1.00 0.00 H +ATOM 219 HG SER A 14 3.520 -5.494 -0.884 1.00 0.00 H +ATOM 220 N GLY A 15 8.256 -3.783 -1.226 1.00 0.00 N +ATOM 221 CA GLY A 15 9.384 -3.115 -1.892 1.00 0.00 C +ATOM 222 C GLY A 15 9.136 -1.644 -2.261 1.00 0.00 C +ATOM 223 O GLY A 15 9.906 -1.080 -3.037 1.00 0.00 O +ATOM 224 H GLY A 15 8.354 -4.097 -0.270 1.00 0.00 H +ATOM 225 HA2 GLY A 15 10.260 -3.161 -1.246 1.00 0.00 H +ATOM 226 HA3 GLY A 15 9.616 -3.654 -2.812 1.00 0.00 H +ATOM 227 N ARG A 16 8.071 -1.022 -1.733 1.00 0.00 N +ATOM 228 CA ARG A 16 7.620 0.333 -2.073 1.00 0.00 C +ATOM 229 C ARG A 16 7.039 1.042 -0.836 1.00 0.00 C +ATOM 230 O ARG A 16 6.265 0.407 -0.118 1.00 0.00 O +ATOM 231 CB ARG A 16 6.558 0.205 -3.182 1.00 0.00 C +ATOM 232 CG ARG A 16 6.146 1.562 -3.766 1.00 0.00 C +ATOM 233 CD ARG A 16 5.085 1.404 -4.861 1.00 0.00 C +ATOM 234 NE ARG A 16 5.279 2.408 -5.922 1.00 0.00 N +ATOM 235 CZ ARG A 16 4.427 2.749 -6.879 1.00 0.00 C +ATOM 236 NH1 ARG A 16 3.214 2.253 -6.941 1.00 0.00 N +ATOM 237 NH2 ARG A 16 4.794 3.604 -7.805 1.00 0.00 N +ATOM 238 H ARG A 16 7.498 -1.558 -1.093 1.00 0.00 H +ATOM 239 HA ARG A 16 8.474 0.889 -2.457 1.00 0.00 H +ATOM 240 HB2 ARG A 16 6.958 -0.402 -3.972 1.00 0.00 H +ATOM 241 HB3 ARG A 16 5.678 -0.308 -2.787 1.00 0.00 H +ATOM 242 HG2 ARG A 16 5.747 2.173 -2.980 1.00 0.00 H +ATOM 243 HG3 ARG A 16 7.035 2.033 -4.183 1.00 0.00 H +ATOM 244 HD2 ARG A 16 5.162 0.422 -5.287 1.00 0.00 H +ATOM 245 HD3 ARG A 16 4.099 1.511 -4.406 1.00 0.00 H +ATOM 246 HE ARG A 16 6.183 2.845 -5.952 1.00 0.00 H +ATOM 247 HH11 ARG A 16 2.943 1.589 -6.236 1.00 0.00 H +ATOM 248 HH12 ARG A 16 2.578 2.515 -7.670 1.00 0.00 H +ATOM 249 HH21 ARG A 16 5.722 3.990 -7.801 1.00 0.00 H +ATOM 250 HH22 ARG A 16 4.153 3.860 -8.532 1.00 0.00 H +ATOM 251 N PRO A 17 7.339 2.336 -0.597 1.00 0.00 N +ATOM 252 CA PRO A 17 6.761 3.096 0.517 1.00 0.00 C +ATOM 253 C PRO A 17 5.236 3.291 0.376 1.00 0.00 C +ATOM 254 O PRO A 17 4.700 3.157 -0.728 1.00 0.00 O +ATOM 255 CB PRO A 17 7.502 4.441 0.515 1.00 0.00 C +ATOM 256 CG PRO A 17 7.925 4.615 -0.941 1.00 0.00 C +ATOM 257 CD PRO A 17 8.240 3.185 -1.367 1.00 0.00 C +ATOM 258 HA PRO A 17 6.966 2.571 1.450 1.00 0.00 H +ATOM 259 HB2 PRO A 17 6.852 5.237 0.823 1.00 0.00 H +ATOM 260 HB3 PRO A 17 8.390 4.367 1.144 1.00 0.00 H +ATOM 261 HG2 PRO A 17 7.129 5.028 -1.529 1.00 0.00 H +ATOM 262 HG3 PRO A 17 8.791 5.270 -1.039 1.00 0.00 H +ATOM 263 HD2 PRO A 17 8.064 3.060 -2.418 1.00 0.00 H +ATOM 264 HD3 PRO A 17 9.272 2.943 -1.108 1.00 0.00 H +ATOM 265 N PRO A 18 4.530 3.634 1.472 1.00 0.00 N +ATOM 266 CA PRO A 18 3.086 3.848 1.449 1.00 0.00 C +ATOM 267 C PRO A 18 2.698 5.104 0.650 1.00 0.00 C +ATOM 268 O PRO A 18 3.420 6.101 0.687 1.00 0.00 O +ATOM 269 CB PRO A 18 2.662 3.983 2.913 1.00 0.00 C +ATOM 270 CG PRO A 18 3.925 4.461 3.623 1.00 0.00 C +ATOM 271 CD PRO A 18 5.046 3.799 2.825 1.00 0.00 C +ATOM 272 HA PRO A 18 2.610 2.974 1.015 1.00 0.00 H +ATOM 273 HB2 PRO A 18 1.872 4.701 3.016 1.00 0.00 H +ATOM 274 HB3 PRO A 18 2.373 3.010 3.303 1.00 0.00 H +ATOM 275 HG2 PRO A 18 4.006 5.530 3.586 1.00 0.00 H +ATOM 276 HG3 PRO A 18 3.940 4.157 4.670 1.00 0.00 H +ATOM 277 HD2 PRO A 18 5.918 4.424 2.818 1.00 0.00 H +ATOM 278 HD3 PRO A 18 5.270 2.821 3.248 1.00 0.00 H +ATOM 279 N PRO A 19 1.537 5.098 -0.033 1.00 0.00 N +ATOM 280 CA PRO A 19 1.010 6.280 -0.696 1.00 0.00 C +ATOM 281 C PRO A 19 0.436 7.257 0.342 1.00 0.00 C +ATOM 282 O PRO A 19 -0.227 6.870 1.309 1.00 0.00 O +ATOM 283 CB PRO A 19 -0.043 5.743 -1.671 1.00 0.00 C +ATOM 284 CG PRO A 19 -0.579 4.494 -0.969 1.00 0.00 C +ATOM 285 CD PRO A 19 0.631 3.970 -0.196 1.00 0.00 C +ATOM 286 HA PRO A 19 1.802 6.778 -1.258 1.00 0.00 H +ATOM 287 HB2 PRO A 19 -0.825 6.462 -1.825 1.00 0.00 H +ATOM 288 HB3 PRO A 19 0.453 5.447 -2.598 1.00 0.00 H +ATOM 289 HG2 PRO A 19 -1.381 4.744 -0.302 1.00 0.00 H +ATOM 290 HG3 PRO A 19 -0.944 3.756 -1.684 1.00 0.00 H +ATOM 291 HD2 PRO A 19 0.326 3.598 0.763 1.00 0.00 H +ATOM 292 HD3 PRO A 19 1.130 3.194 -0.777 1.00 0.00 H +ATOM 293 N SER A 20 0.706 8.552 0.169 1.00 0.00 N +ATOM 294 CA SER A 20 0.162 9.640 0.988 1.00 0.00 C +ATOM 295 C SER A 20 -0.066 10.872 0.126 1.00 0.00 C +ATOM 296 O SER A 20 0.918 11.303 -0.513 1.00 0.00 O +ATOM 297 CB SER A 20 1.092 9.931 2.166 1.00 0.00 C +ATOM 298 OG SER A 20 1.001 8.805 3.014 1.00 0.00 O +ATOM 299 OXT SER A 20 -1.239 11.304 0.086 1.00 0.00 O +ATOM 300 H SER A 20 1.318 8.846 -0.582 1.00 0.00 H +ATOM 301 HA SER A 20 -0.816 9.367 1.381 1.00 0.00 H +ATOM 302 HB2 SER A 20 2.100 10.060 1.823 1.00 0.00 H +ATOM 303 HB3 SER A 20 0.767 10.828 2.696 1.00 0.00 H +ATOM 304 HG SER A 20 0.609 8.093 2.479 1.00 0.00 H +TER 305 SER A 20 +ENDMDL +MODEL 19 +ATOM 1 N ASN A 1 -4.711 8.428 -0.250 1.00 0.00 N +ATOM 2 CA ASN A 1 -5.482 7.459 -1.069 1.00 0.00 C +ATOM 3 C ASN A 1 -4.637 6.216 -1.384 1.00 0.00 C +ATOM 4 O ASN A 1 -3.508 6.151 -0.914 1.00 0.00 O +ATOM 5 CB ASN A 1 -6.058 8.123 -2.332 1.00 0.00 C +ATOM 6 CG ASN A 1 -7.308 7.368 -2.763 1.00 0.00 C +ATOM 7 OD1 ASN A 1 -8.229 7.219 -1.982 1.00 0.00 O +ATOM 8 ND2 ASN A 1 -7.347 6.788 -3.948 1.00 0.00 N +ATOM 9 H1 ASN A 1 -4.276 7.945 0.525 1.00 0.00 H +ATOM 10 H2 ASN A 1 -3.969 8.859 -0.792 1.00 0.00 H +ATOM 11 H3 ASN A 1 -5.313 9.159 0.105 1.00 0.00 H +ATOM 12 HA ASN A 1 -6.326 7.121 -0.463 1.00 0.00 H +ATOM 13 HB2 ASN A 1 -6.310 9.144 -2.119 1.00 0.00 H +ATOM 14 HB3 ASN A 1 -5.314 8.139 -3.131 1.00 0.00 H +ATOM 15 HD21 ASN A 1 -6.635 6.892 -4.653 1.00 0.00 H +ATOM 16 HD22 ASN A 1 -8.230 6.344 -4.151 1.00 0.00 H +ATOM 17 N LEU A 2 -5.165 5.225 -2.127 1.00 0.00 N +ATOM 18 CA LEU A 2 -4.498 3.973 -2.561 1.00 0.00 C +ATOM 19 C LEU A 2 -3.959 3.039 -1.451 1.00 0.00 C +ATOM 20 O LEU A 2 -3.474 1.944 -1.745 1.00 0.00 O +ATOM 21 CB LEU A 2 -3.435 4.298 -3.639 1.00 0.00 C +ATOM 22 CG LEU A 2 -4.002 4.275 -5.079 1.00 0.00 C +ATOM 23 CD1 LEU A 2 -3.796 5.613 -5.794 1.00 0.00 C +ATOM 24 CD2 LEU A 2 -3.342 3.164 -5.900 1.00 0.00 C +ATOM 25 H LEU A 2 -6.111 5.349 -2.465 1.00 0.00 H +ATOM 26 HA LEU A 2 -5.264 3.362 -3.041 1.00 0.00 H +ATOM 27 HB2 LEU A 2 -3.039 5.276 -3.444 1.00 0.00 H +ATOM 28 HB3 LEU A 2 -2.623 3.573 -3.570 1.00 0.00 H +ATOM 29 HG LEU A 2 -5.074 4.082 -5.054 1.00 0.00 H +ATOM 30 HD11 LEU A 2 -4.302 6.407 -5.250 1.00 0.00 H +ATOM 31 HD12 LEU A 2 -2.731 5.843 -5.862 1.00 0.00 H +ATOM 32 HD13 LEU A 2 -4.209 5.556 -6.802 1.00 0.00 H +ATOM 33 HD21 LEU A 2 -2.271 3.350 -5.990 1.00 0.00 H +ATOM 34 HD22 LEU A 2 -3.499 2.202 -5.413 1.00 0.00 H +ATOM 35 HD23 LEU A 2 -3.782 3.126 -6.897 1.00 0.00 H +ATOM 36 N TYR A 3 -4.101 3.418 -0.179 1.00 0.00 N +ATOM 37 CA TYR A 3 -3.547 2.721 0.982 1.00 0.00 C +ATOM 38 C TYR A 3 -4.035 1.268 1.120 1.00 0.00 C +ATOM 39 O TYR A 3 -3.246 0.381 1.446 1.00 0.00 O +ATOM 40 CB TYR A 3 -3.866 3.547 2.234 1.00 0.00 C +ATOM 41 CG TYR A 3 -2.864 3.337 3.348 1.00 0.00 C +ATOM 42 CD1 TYR A 3 -1.722 4.158 3.414 1.00 0.00 C +ATOM 43 CD2 TYR A 3 -3.059 2.315 4.297 1.00 0.00 C +ATOM 44 CE1 TYR A 3 -0.764 3.952 4.424 1.00 0.00 C +ATOM 45 CE2 TYR A 3 -2.106 2.111 5.311 1.00 0.00 C +ATOM 46 CZ TYR A 3 -0.953 2.921 5.370 1.00 0.00 C +ATOM 47 OH TYR A 3 -0.015 2.685 6.326 1.00 0.00 O +ATOM 48 H TYR A 3 -4.435 4.356 -0.036 1.00 0.00 H +ATOM 49 HA TYR A 3 -2.464 2.693 0.862 1.00 0.00 H +ATOM 50 HB2 TYR A 3 -3.869 4.586 1.967 1.00 0.00 H +ATOM 51 HB3 TYR A 3 -4.870 3.311 2.589 1.00 0.00 H +ATOM 52 HD1 TYR A 3 -1.570 4.949 2.689 1.00 0.00 H +ATOM 53 HD2 TYR A 3 -3.934 1.680 4.247 1.00 0.00 H +ATOM 54 HE1 TYR A 3 0.103 4.591 4.475 1.00 0.00 H +ATOM 55 HE2 TYR A 3 -2.233 1.337 6.051 1.00 0.00 H +ATOM 56 HH TYR A 3 0.804 3.144 6.139 1.00 0.00 H +ATOM 57 N ILE A 4 -5.316 1.007 0.820 1.00 0.00 N +ATOM 58 CA ILE A 4 -5.898 -0.342 0.812 1.00 0.00 C +ATOM 59 C ILE A 4 -5.161 -1.235 -0.200 1.00 0.00 C +ATOM 60 O ILE A 4 -4.707 -2.324 0.147 1.00 0.00 O +ATOM 61 CB ILE A 4 -7.424 -0.311 0.536 1.00 0.00 C +ATOM 62 CG1 ILE A 4 -8.202 0.658 1.464 1.00 0.00 C +ATOM 63 CG2 ILE A 4 -8.008 -1.726 0.703 1.00 0.00 C +ATOM 64 CD1 ILE A 4 -8.481 2.022 0.816 1.00 0.00 C +ATOM 65 H ILE A 4 -5.901 1.792 0.575 1.00 0.00 H +ATOM 66 HA ILE A 4 -5.743 -0.778 1.800 1.00 0.00 H +ATOM 67 HB ILE A 4 -7.593 -0.010 -0.501 1.00 0.00 H +ATOM 68 HG12 ILE A 4 -9.140 0.204 1.722 1.00 0.00 H +ATOM 69 HG13 ILE A 4 -7.659 0.801 2.399 1.00 0.00 H +ATOM 70 HG21 ILE A 4 -7.552 -2.414 -0.005 1.00 0.00 H +ATOM 71 HG22 ILE A 4 -7.831 -2.089 1.719 1.00 0.00 H +ATOM 72 HG23 ILE A 4 -9.082 -1.713 0.513 1.00 0.00 H +ATOM 73 HD11 ILE A 4 -7.555 2.566 0.645 1.00 0.00 H +ATOM 74 HD12 ILE A 4 -9.003 1.881 -0.131 1.00 0.00 H +ATOM 75 HD13 ILE A 4 -9.118 2.609 1.477 1.00 0.00 H +ATOM 76 N GLN A 5 -5.005 -0.767 -1.445 1.00 0.00 N +ATOM 77 CA GLN A 5 -4.266 -1.471 -2.496 1.00 0.00 C +ATOM 78 C GLN A 5 -2.794 -1.703 -2.131 1.00 0.00 C +ATOM 79 O GLN A 5 -2.290 -2.798 -2.375 1.00 0.00 O +ATOM 80 CB GLN A 5 -4.404 -0.714 -3.831 1.00 0.00 C +ATOM 81 CG GLN A 5 -5.577 -1.242 -4.674 1.00 0.00 C +ATOM 82 CD GLN A 5 -5.172 -2.342 -5.657 1.00 0.00 C +ATOM 83 OE1 GLN A 5 -5.444 -2.266 -6.841 1.00 0.00 O +ATOM 84 NE2 GLN A 5 -4.511 -3.407 -5.235 1.00 0.00 N +ATOM 85 H GLN A 5 -5.339 0.164 -1.640 1.00 0.00 H +ATOM 86 HA GLN A 5 -4.705 -2.459 -2.606 1.00 0.00 H +ATOM 87 HB2 GLN A 5 -4.567 0.326 -3.624 1.00 0.00 H +ATOM 88 HB3 GLN A 5 -3.485 -0.802 -4.412 1.00 0.00 H +ATOM 89 HG2 GLN A 5 -6.322 -1.636 -4.010 1.00 0.00 H +ATOM 90 HG3 GLN A 5 -5.980 -0.410 -5.253 1.00 0.00 H +ATOM 91 HE21 GLN A 5 -4.079 -3.463 -4.327 1.00 0.00 H +ATOM 92 HE22 GLN A 5 -4.196 -3.952 -6.023 1.00 0.00 H +ATOM 93 N TRP A 6 -2.131 -0.715 -1.517 1.00 0.00 N +ATOM 94 CA TRP A 6 -0.771 -0.866 -0.989 1.00 0.00 C +ATOM 95 C TRP A 6 -0.676 -1.954 0.096 1.00 0.00 C +ATOM 96 O TRP A 6 0.217 -2.804 0.034 1.00 0.00 O +ATOM 97 CB TRP A 6 -0.278 0.492 -0.481 1.00 0.00 C +ATOM 98 CG TRP A 6 1.076 0.483 0.156 1.00 0.00 C +ATOM 99 CD1 TRP A 6 2.258 0.449 -0.500 1.00 0.00 C +ATOM 100 CD2 TRP A 6 1.409 0.516 1.577 1.00 0.00 C +ATOM 101 NE1 TRP A 6 3.295 0.438 0.415 1.00 0.00 N +ATOM 102 CE2 TRP A 6 2.830 0.499 1.706 1.00 0.00 C +ATOM 103 CE3 TRP A 6 0.660 0.554 2.771 1.00 0.00 C +ATOM 104 CZ2 TRP A 6 3.479 0.537 2.947 1.00 0.00 C +ATOM 105 CZ3 TRP A 6 1.299 0.565 4.026 1.00 0.00 C +ATOM 106 CH2 TRP A 6 2.703 0.571 4.116 1.00 0.00 C +ATOM 107 H TRP A 6 -2.609 0.176 -1.403 1.00 0.00 H +ATOM 108 HA TRP A 6 -0.117 -1.181 -1.802 1.00 0.00 H +ATOM 109 HB2 TRP A 6 -0.248 1.167 -1.315 1.00 0.00 H +ATOM 110 HB3 TRP A 6 -0.989 0.883 0.245 1.00 0.00 H +ATOM 111 HD1 TRP A 6 2.367 0.437 -1.575 1.00 0.00 H +ATOM 112 HE1 TRP A 6 4.290 0.412 0.180 1.00 0.00 H +ATOM 113 HE3 TRP A 6 -0.419 0.574 2.716 1.00 0.00 H +ATOM 114 HZ2 TRP A 6 4.558 0.526 2.988 1.00 0.00 H +ATOM 115 HZ3 TRP A 6 0.705 0.572 4.929 1.00 0.00 H +ATOM 116 HH2 TRP A 6 3.181 0.592 5.084 1.00 0.00 H +ATOM 117 N LEU A 7 -1.612 -1.982 1.056 1.00 0.00 N +ATOM 118 CA LEU A 7 -1.688 -3.061 2.044 1.00 0.00 C +ATOM 119 C LEU A 7 -1.950 -4.430 1.398 1.00 0.00 C +ATOM 120 O LEU A 7 -1.263 -5.384 1.758 1.00 0.00 O +ATOM 121 CB LEU A 7 -2.739 -2.752 3.125 1.00 0.00 C +ATOM 122 CG LEU A 7 -2.322 -1.677 4.150 1.00 0.00 C +ATOM 123 CD1 LEU A 7 -3.497 -1.435 5.104 1.00 0.00 C +ATOM 124 CD2 LEU A 7 -1.106 -2.095 4.988 1.00 0.00 C +ATOM 125 H LEU A 7 -2.302 -1.233 1.088 1.00 0.00 H +ATOM 126 HA LEU A 7 -0.712 -3.148 2.521 1.00 0.00 H +ATOM 127 HB2 LEU A 7 -3.632 -2.416 2.635 1.00 0.00 H +ATOM 128 HB3 LEU A 7 -2.947 -3.672 3.673 1.00 0.00 H +ATOM 129 HG LEU A 7 -2.094 -0.746 3.637 1.00 0.00 H +ATOM 130 HD11 LEU A 7 -4.353 -1.060 4.542 1.00 0.00 H +ATOM 131 HD12 LEU A 7 -3.770 -2.364 5.605 1.00 0.00 H +ATOM 132 HD13 LEU A 7 -3.222 -0.700 5.856 1.00 0.00 H +ATOM 133 HD21 LEU A 7 -1.285 -3.061 5.457 1.00 0.00 H +ATOM 134 HD22 LEU A 7 -0.217 -2.154 4.362 1.00 0.00 H +ATOM 135 HD23 LEU A 7 -0.919 -1.351 5.762 1.00 0.00 H +ATOM 136 N LYS A 8 -2.879 -4.534 0.430 1.00 0.00 N +ATOM 137 CA LYS A 8 -3.176 -5.792 -0.293 1.00 0.00 C +ATOM 138 C LYS A 8 -1.940 -6.427 -0.932 1.00 0.00 C +ATOM 139 O LYS A 8 -1.861 -7.649 -0.988 1.00 0.00 O +ATOM 140 CB LYS A 8 -4.234 -5.580 -1.389 1.00 0.00 C +ATOM 141 CG LYS A 8 -5.650 -5.363 -0.841 1.00 0.00 C +ATOM 142 CD LYS A 8 -6.641 -4.855 -1.906 1.00 0.00 C +ATOM 143 CE LYS A 8 -7.271 -5.959 -2.767 1.00 0.00 C +ATOM 144 NZ LYS A 8 -6.386 -6.423 -3.863 1.00 0.00 N +ATOM 145 H LYS A 8 -3.427 -3.700 0.224 1.00 0.00 H +ATOM 146 HA LYS A 8 -3.550 -6.525 0.424 1.00 0.00 H +ATOM 147 HB2 LYS A 8 -3.957 -4.718 -1.966 1.00 0.00 H +ATOM 148 HB3 LYS A 8 -4.252 -6.467 -2.023 1.00 0.00 H +ATOM 149 HG2 LYS A 8 -6.013 -6.296 -0.455 1.00 0.00 H +ATOM 150 HG3 LYS A 8 -5.609 -4.626 -0.042 1.00 0.00 H +ATOM 151 HD2 LYS A 8 -7.431 -4.329 -1.405 1.00 0.00 H +ATOM 152 HD3 LYS A 8 -6.171 -4.105 -2.541 1.00 0.00 H +ATOM 153 HE2 LYS A 8 -7.499 -6.796 -2.135 1.00 0.00 H +ATOM 154 HE3 LYS A 8 -8.193 -5.560 -3.199 1.00 0.00 H +ATOM 155 HZ1 LYS A 8 -6.162 -5.656 -4.484 1.00 0.00 H +ATOM 156 HZ2 LYS A 8 -5.528 -6.807 -3.488 1.00 0.00 H +ATOM 157 HZ3 LYS A 8 -6.850 -7.145 -4.401 1.00 0.00 H +ATOM 158 N ASP A 9 -1.006 -5.612 -1.428 1.00 0.00 N +ATOM 159 CA ASP A 9 0.249 -6.089 -2.012 1.00 0.00 C +ATOM 160 C ASP A 9 1.195 -6.700 -0.957 1.00 0.00 C +ATOM 161 O ASP A 9 1.906 -7.655 -1.257 1.00 0.00 O +ATOM 162 CB ASP A 9 0.908 -4.913 -2.751 1.00 0.00 C +ATOM 163 CG ASP A 9 1.926 -5.376 -3.792 1.00 0.00 C +ATOM 164 OD1 ASP A 9 3.079 -5.637 -3.380 1.00 0.00 O +ATOM 165 OD2 ASP A 9 1.557 -5.417 -4.986 1.00 0.00 O +ATOM 166 H ASP A 9 -1.181 -4.614 -1.403 1.00 0.00 H +ATOM 167 HA ASP A 9 0.021 -6.868 -2.743 1.00 0.00 H +ATOM 168 HB2 ASP A 9 0.144 -4.345 -3.245 1.00 0.00 H +ATOM 169 HB3 ASP A 9 1.399 -4.255 -2.030 1.00 0.00 H +ATOM 170 N GLY A 10 1.167 -6.180 0.281 1.00 0.00 N +ATOM 171 CA GLY A 10 2.093 -6.534 1.364 1.00 0.00 C +ATOM 172 C GLY A 10 2.641 -5.339 2.162 1.00 0.00 C +ATOM 173 O GLY A 10 3.484 -5.529 3.044 1.00 0.00 O +ATOM 174 H GLY A 10 0.409 -5.539 0.486 1.00 0.00 H +ATOM 175 HA2 GLY A 10 1.576 -7.194 2.060 1.00 0.00 H +ATOM 176 HA3 GLY A 10 2.946 -7.076 0.955 1.00 0.00 H +ATOM 177 N GLY A 11 2.182 -4.110 1.882 1.00 0.00 N +ATOM 178 CA GLY A 11 2.599 -2.906 2.599 1.00 0.00 C +ATOM 179 C GLY A 11 4.124 -2.698 2.547 1.00 0.00 C +ATOM 180 O GLY A 11 4.696 -2.700 1.453 1.00 0.00 O +ATOM 181 H GLY A 11 1.532 -3.983 1.113 1.00 0.00 H +ATOM 182 HA2 GLY A 11 2.116 -2.047 2.140 1.00 0.00 H +ATOM 183 HA3 GLY A 11 2.249 -2.984 3.627 1.00 0.00 H +ATOM 184 N PRO A 12 4.822 -2.540 3.693 1.00 0.00 N +ATOM 185 CA PRO A 12 6.282 -2.419 3.719 1.00 0.00 C +ATOM 186 C PRO A 12 7.024 -3.621 3.110 1.00 0.00 C +ATOM 187 O PRO A 12 8.145 -3.463 2.631 1.00 0.00 O +ATOM 188 CB PRO A 12 6.668 -2.252 5.194 1.00 0.00 C +ATOM 189 CG PRO A 12 5.381 -1.788 5.872 1.00 0.00 C +ATOM 190 CD PRO A 12 4.292 -2.472 5.049 1.00 0.00 C +ATOM 191 HA PRO A 12 6.564 -1.518 3.171 1.00 0.00 H +ATOM 192 HB2 PRO A 12 7.000 -3.185 5.608 1.00 0.00 H +ATOM 193 HB3 PRO A 12 7.469 -1.522 5.318 1.00 0.00 H +ATOM 194 HG2 PRO A 12 5.348 -2.107 6.896 1.00 0.00 H +ATOM 195 HG3 PRO A 12 5.287 -0.705 5.777 1.00 0.00 H +ATOM 196 HD2 PRO A 12 4.098 -3.457 5.427 1.00 0.00 H +ATOM 197 HD3 PRO A 12 3.371 -1.895 5.104 1.00 0.00 H +ATOM 198 N SER A 13 6.411 -4.816 3.098 1.00 0.00 N +ATOM 199 CA SER A 13 7.038 -6.057 2.614 1.00 0.00 C +ATOM 200 C SER A 13 7.028 -6.197 1.080 1.00 0.00 C +ATOM 201 O SER A 13 7.416 -7.241 0.562 1.00 0.00 O +ATOM 202 CB SER A 13 6.390 -7.277 3.283 1.00 0.00 C +ATOM 203 OG SER A 13 6.567 -7.211 4.686 1.00 0.00 O +ATOM 204 H SER A 13 5.434 -4.862 3.375 1.00 0.00 H +ATOM 205 HA SER A 13 8.085 -6.051 2.913 1.00 0.00 H +ATOM 206 HB2 SER A 13 5.341 -7.291 3.057 1.00 0.00 H +ATOM 207 HB3 SER A 13 6.867 -8.188 2.919 1.00 0.00 H +ATOM 208 HG SER A 13 6.098 -6.440 5.015 1.00 0.00 H +ATOM 209 N SER A 14 6.620 -5.147 0.358 1.00 0.00 N +ATOM 210 CA SER A 14 6.465 -5.116 -1.104 1.00 0.00 C +ATOM 211 C SER A 14 7.520 -4.277 -1.839 1.00 0.00 C +ATOM 212 O SER A 14 7.383 -4.035 -3.039 1.00 0.00 O +ATOM 213 CB SER A 14 5.072 -4.582 -1.431 1.00 0.00 C +ATOM 214 OG SER A 14 4.112 -5.580 -1.231 1.00 0.00 O +ATOM 215 H SER A 14 6.276 -4.349 0.876 1.00 0.00 H +ATOM 216 HA SER A 14 6.531 -6.130 -1.502 1.00 0.00 H +ATOM 217 HB2 SER A 14 4.854 -3.747 -0.793 1.00 0.00 H +ATOM 218 HB3 SER A 14 5.022 -4.287 -2.477 1.00 0.00 H +ATOM 219 HG SER A 14 3.651 -5.690 -2.148 1.00 0.00 H +ATOM 220 N GLY A 15 8.549 -3.780 -1.139 1.00 0.00 N +ATOM 221 CA GLY A 15 9.587 -2.933 -1.741 1.00 0.00 C +ATOM 222 C GLY A 15 9.096 -1.536 -2.151 1.00 0.00 C +ATOM 223 O GLY A 15 9.726 -0.894 -2.987 1.00 0.00 O +ATOM 224 H GLY A 15 8.618 -4.033 -0.161 1.00 0.00 H +ATOM 225 HA2 GLY A 15 10.410 -2.813 -1.039 1.00 0.00 H +ATOM 226 HA3 GLY A 15 9.975 -3.426 -2.634 1.00 0.00 H +ATOM 227 N ARG A 16 7.969 -1.073 -1.587 1.00 0.00 N +ATOM 228 CA ARG A 16 7.285 0.177 -1.944 1.00 0.00 C +ATOM 229 C ARG A 16 6.807 0.935 -0.691 1.00 0.00 C +ATOM 230 O ARG A 16 6.125 0.336 0.145 1.00 0.00 O +ATOM 231 CB ARG A 16 6.131 -0.110 -2.930 1.00 0.00 C +ATOM 232 CG ARG A 16 5.136 -1.187 -2.454 1.00 0.00 C +ATOM 233 CD ARG A 16 3.995 -1.438 -3.443 1.00 0.00 C +ATOM 234 NE ARG A 16 4.473 -2.075 -4.685 1.00 0.00 N +ATOM 235 CZ ARG A 16 4.016 -1.881 -5.916 1.00 0.00 C +ATOM 236 NH1 ARG A 16 3.041 -1.038 -6.174 1.00 0.00 N +ATOM 237 NH2 ARG A 16 4.543 -2.530 -6.926 1.00 0.00 N +ATOM 238 H ARG A 16 7.539 -1.660 -0.885 1.00 0.00 H +ATOM 239 HA ARG A 16 8.004 0.797 -2.475 1.00 0.00 H +ATOM 240 HB2 ARG A 16 5.588 0.802 -3.085 1.00 0.00 H +ATOM 241 HB3 ARG A 16 6.569 -0.435 -3.874 1.00 0.00 H +ATOM 242 HG2 ARG A 16 5.671 -2.106 -2.312 1.00 0.00 H +ATOM 243 HG3 ARG A 16 4.696 -0.891 -1.507 1.00 0.00 H +ATOM 244 HD2 ARG A 16 3.270 -2.080 -2.981 1.00 0.00 H +ATOM 245 HD3 ARG A 16 3.510 -0.485 -3.654 1.00 0.00 H +ATOM 246 HE ARG A 16 5.199 -2.769 -4.574 1.00 0.00 H +ATOM 247 HH11 ARG A 16 2.612 -0.568 -5.400 1.00 0.00 H +ATOM 248 HH12 ARG A 16 2.697 -0.911 -7.106 1.00 0.00 H +ATOM 249 HH21 ARG A 16 5.261 -3.213 -6.759 1.00 0.00 H +ATOM 250 HH22 ARG A 16 4.184 -2.398 -7.852 1.00 0.00 H +ATOM 251 N PRO A 17 7.131 2.235 -0.537 1.00 0.00 N +ATOM 252 CA PRO A 17 6.706 3.032 0.616 1.00 0.00 C +ATOM 253 C PRO A 17 5.183 3.290 0.607 1.00 0.00 C +ATOM 254 O PRO A 17 4.540 3.099 -0.429 1.00 0.00 O +ATOM 255 CB PRO A 17 7.514 4.332 0.509 1.00 0.00 C +ATOM 256 CG PRO A 17 7.726 4.499 -0.992 1.00 0.00 C +ATOM 257 CD PRO A 17 7.879 3.059 -1.478 1.00 0.00 C +ATOM 258 HA PRO A 17 6.972 2.511 1.537 1.00 0.00 H +ATOM 259 HB2 PRO A 17 6.963 5.160 0.913 1.00 0.00 H +ATOM 260 HB3 PRO A 17 8.479 4.197 1.000 1.00 0.00 H +ATOM 261 HG2 PRO A 17 6.880 4.973 -1.451 1.00 0.00 H +ATOM 262 HG3 PRO A 17 8.611 5.095 -1.213 1.00 0.00 H +ATOM 263 HD2 PRO A 17 7.476 2.955 -2.467 1.00 0.00 H +ATOM 264 HD3 PRO A 17 8.931 2.771 -1.454 1.00 0.00 H +ATOM 265 N PRO A 18 4.594 3.738 1.736 1.00 0.00 N +ATOM 266 CA PRO A 18 3.165 4.041 1.816 1.00 0.00 C +ATOM 267 C PRO A 18 2.783 5.192 0.871 1.00 0.00 C +ATOM 268 O PRO A 18 3.492 6.199 0.824 1.00 0.00 O +ATOM 269 CB PRO A 18 2.894 4.397 3.281 1.00 0.00 C +ATOM 270 CG PRO A 18 4.254 4.847 3.808 1.00 0.00 C +ATOM 271 CD PRO A 18 5.233 3.978 3.023 1.00 0.00 C +ATOM 272 HA PRO A 18 2.603 3.146 1.565 1.00 0.00 H +ATOM 273 HB2 PRO A 18 2.175 5.190 3.354 1.00 0.00 H +ATOM 274 HB3 PRO A 18 2.571 3.506 3.818 1.00 0.00 H +ATOM 275 HG2 PRO A 18 4.419 5.889 3.610 1.00 0.00 H +ATOM 276 HG3 PRO A 18 4.347 4.691 4.883 1.00 0.00 H +ATOM 277 HD2 PRO A 18 6.166 4.491 2.889 1.00 0.00 H +ATOM 278 HD3 PRO A 18 5.375 3.027 3.537 1.00 0.00 H +ATOM 279 N PRO A 19 1.669 5.075 0.121 1.00 0.00 N +ATOM 280 CA PRO A 19 1.193 6.145 -0.742 1.00 0.00 C +ATOM 281 C PRO A 19 0.412 7.189 0.066 1.00 0.00 C +ATOM 282 O PRO A 19 -0.366 6.839 0.959 1.00 0.00 O +ATOM 283 CB PRO A 19 0.286 5.445 -1.758 1.00 0.00 C +ATOM 284 CG PRO A 19 -0.334 4.311 -0.945 1.00 0.00 C +ATOM 285 CD PRO A 19 0.787 3.922 0.021 1.00 0.00 C +ATOM 286 HA PRO A 19 2.027 6.623 -1.257 1.00 0.00 H +ATOM 287 HB2 PRO A 19 -0.469 6.113 -2.125 1.00 0.00 H +ATOM 288 HB3 PRO A 19 0.899 5.024 -2.558 1.00 0.00 H +ATOM 289 HG2 PRO A 19 -1.202 4.649 -0.412 1.00 0.00 H +ATOM 290 HG3 PRO A 19 -0.632 3.479 -1.581 1.00 0.00 H +ATOM 291 HD2 PRO A 19 0.379 3.683 0.984 1.00 0.00 H +ATOM 292 HD3 PRO A 19 1.349 3.085 -0.391 1.00 0.00 H +ATOM 293 N SER A 20 0.545 8.452 -0.361 1.00 0.00 N +ATOM 294 CA SER A 20 -0.267 9.613 0.032 1.00 0.00 C +ATOM 295 C SER A 20 0.099 10.270 1.361 1.00 0.00 C +ATOM 296 O SER A 20 1.001 9.777 2.071 1.00 0.00 O +ATOM 297 CB SER A 20 -1.745 9.233 0.059 1.00 0.00 C +ATOM 298 OG SER A 20 -2.498 10.392 -0.203 1.00 0.00 O +ATOM 299 OXT SER A 20 -0.596 11.284 1.612 1.00 0.00 O +ATOM 300 H SER A 20 1.265 8.618 -1.047 1.00 0.00 H +ATOM 301 HA SER A 20 -0.121 10.385 -0.723 1.00 0.00 H +ATOM 302 HB2 SER A 20 -1.944 8.492 -0.691 1.00 0.00 H +ATOM 303 HB3 SER A 20 -1.994 8.859 1.055 1.00 0.00 H +ATOM 304 HG SER A 20 -2.028 11.083 0.314 1.00 0.00 H +TER 305 SER A 20 +ENDMDL +MODEL 20 +ATOM 1 N ASN A 1 -8.559 6.374 -1.226 1.00 0.00 N +ATOM 2 CA ASN A 1 -7.539 6.170 -0.168 1.00 0.00 C +ATOM 3 C ASN A 1 -6.191 5.649 -0.655 1.00 0.00 C +ATOM 4 O ASN A 1 -5.194 6.053 -0.072 1.00 0.00 O +ATOM 5 CB ASN A 1 -8.062 5.285 0.966 1.00 0.00 C +ATOM 6 CG ASN A 1 -8.992 6.102 1.840 1.00 0.00 C +ATOM 7 OD1 ASN A 1 -10.159 6.243 1.517 1.00 0.00 O +ATOM 8 ND2 ASN A 1 -8.488 6.730 2.886 1.00 0.00 N +ATOM 9 H1 ASN A 1 -8.207 6.992 -1.945 1.00 0.00 H +ATOM 10 H2 ASN A 1 -8.827 5.491 -1.639 1.00 0.00 H +ATOM 11 H3 ASN A 1 -9.389 6.786 -0.814 1.00 0.00 H +ATOM 12 HA ASN A 1 -7.316 7.145 0.269 1.00 0.00 H +ATOM 13 HB2 ASN A 1 -8.596 4.450 0.554 1.00 0.00 H +ATOM 14 HB3 ASN A 1 -7.238 4.906 1.572 1.00 0.00 H +ATOM 15 HD21 ASN A 1 -7.518 6.672 3.157 1.00 0.00 H +ATOM 16 HD22 ASN A 1 -9.151 7.262 3.426 1.00 0.00 H +ATOM 17 N LEU A 2 -6.126 4.735 -1.642 1.00 0.00 N +ATOM 18 CA LEU A 2 -4.891 4.125 -2.180 1.00 0.00 C +ATOM 19 C LEU A 2 -4.153 3.176 -1.204 1.00 0.00 C +ATOM 20 O LEU A 2 -3.597 2.164 -1.636 1.00 0.00 O +ATOM 21 CB LEU A 2 -3.962 5.228 -2.759 1.00 0.00 C +ATOM 22 CG LEU A 2 -3.563 5.018 -4.237 1.00 0.00 C +ATOM 23 CD1 LEU A 2 -3.974 6.221 -5.092 1.00 0.00 C +ATOM 24 CD2 LEU A 2 -2.055 4.808 -4.389 1.00 0.00 C +ATOM 25 H LEU A 2 -6.972 4.387 -2.062 1.00 0.00 H +ATOM 26 HA LEU A 2 -5.209 3.487 -3.002 1.00 0.00 H +ATOM 27 HB2 LEU A 2 -4.470 6.170 -2.679 1.00 0.00 H +ATOM 28 HB3 LEU A 2 -3.068 5.296 -2.140 1.00 0.00 H +ATOM 29 HG LEU A 2 -4.066 4.139 -4.638 1.00 0.00 H +ATOM 30 HD11 LEU A 2 -5.024 6.461 -4.923 1.00 0.00 H +ATOM 31 HD12 LEU A 2 -3.363 7.091 -4.843 1.00 0.00 H +ATOM 32 HD13 LEU A 2 -3.839 5.983 -6.147 1.00 0.00 H +ATOM 33 HD21 LEU A 2 -1.524 5.712 -4.089 1.00 0.00 H +ATOM 34 HD22 LEU A 2 -1.743 3.967 -3.772 1.00 0.00 H +ATOM 35 HD23 LEU A 2 -1.820 4.596 -5.432 1.00 0.00 H +ATOM 36 N TYR A 3 -4.202 3.452 0.106 1.00 0.00 N +ATOM 37 CA TYR A 3 -3.575 2.669 1.174 1.00 0.00 C +ATOM 38 C TYR A 3 -4.020 1.200 1.203 1.00 0.00 C +ATOM 39 O TYR A 3 -3.195 0.322 1.447 1.00 0.00 O +ATOM 40 CB TYR A 3 -3.843 3.340 2.530 1.00 0.00 C +ATOM 41 CG TYR A 3 -2.673 3.212 3.480 1.00 0.00 C +ATOM 42 CD1 TYR A 3 -2.543 2.088 4.320 1.00 0.00 C +ATOM 43 CD2 TYR A 3 -1.689 4.217 3.496 1.00 0.00 C +ATOM 44 CE1 TYR A 3 -1.427 1.974 5.172 1.00 0.00 C +ATOM 45 CE2 TYR A 3 -0.574 4.112 4.346 1.00 0.00 C +ATOM 46 CZ TYR A 3 -0.438 2.983 5.184 1.00 0.00 C +ATOM 47 OH TYR A 3 0.646 2.858 5.993 1.00 0.00 O +ATOM 48 H TYR A 3 -4.568 4.369 0.345 1.00 0.00 H +ATOM 49 HA TYR A 3 -2.498 2.677 1.000 1.00 0.00 H +ATOM 50 HB2 TYR A 3 -4.041 4.382 2.366 1.00 0.00 H +ATOM 51 HB3 TYR A 3 -4.737 2.911 2.988 1.00 0.00 H +ATOM 52 HD1 TYR A 3 -3.296 1.314 4.305 1.00 0.00 H +ATOM 53 HD2 TYR A 3 -1.794 5.082 2.856 1.00 0.00 H +ATOM 54 HE1 TYR A 3 -1.307 1.120 5.821 1.00 0.00 H +ATOM 55 HE2 TYR A 3 0.166 4.899 4.359 1.00 0.00 H +ATOM 56 HH TYR A 3 1.278 3.565 5.851 1.00 0.00 H +ATOM 57 N ILE A 4 -5.303 0.928 0.911 1.00 0.00 N +ATOM 58 CA ILE A 4 -5.843 -0.436 0.816 1.00 0.00 C +ATOM 59 C ILE A 4 -5.054 -1.237 -0.220 1.00 0.00 C +ATOM 60 O ILE A 4 -4.584 -2.327 0.084 1.00 0.00 O +ATOM 61 CB ILE A 4 -7.357 -0.449 0.483 1.00 0.00 C +ATOM 62 CG1 ILE A 4 -8.184 0.429 1.452 1.00 0.00 C +ATOM 63 CG2 ILE A 4 -7.909 -1.886 0.515 1.00 0.00 C +ATOM 64 CD1 ILE A 4 -8.655 1.719 0.779 1.00 0.00 C +ATOM 65 H ILE A 4 -5.915 1.709 0.742 1.00 0.00 H +ATOM 66 HA ILE A 4 -5.704 -0.925 1.782 1.00 0.00 H +ATOM 67 HB ILE A 4 -7.493 -0.077 -0.536 1.00 0.00 H +ATOM 68 HG12 ILE A 4 -9.042 -0.126 1.779 1.00 0.00 H +ATOM 69 HG13 ILE A 4 -7.595 0.676 2.336 1.00 0.00 H +ATOM 70 HG21 ILE A 4 -7.390 -2.519 -0.204 1.00 0.00 H +ATOM 71 HG22 ILE A 4 -7.795 -2.311 1.514 1.00 0.00 H +ATOM 72 HG23 ILE A 4 -8.968 -1.881 0.251 1.00 0.00 H +ATOM 73 HD11 ILE A 4 -7.807 2.246 0.343 1.00 0.00 H +ATOM 74 HD12 ILE A 4 -9.375 1.482 -0.007 1.00 0.00 H +ATOM 75 HD13 ILE A 4 -9.141 2.352 1.521 1.00 0.00 H +ATOM 76 N GLN A 5 -4.882 -0.682 -1.427 1.00 0.00 N +ATOM 77 CA GLN A 5 -4.187 -1.318 -2.543 1.00 0.00 C +ATOM 78 C GLN A 5 -2.715 -1.599 -2.195 1.00 0.00 C +ATOM 79 O GLN A 5 -2.236 -2.714 -2.401 1.00 0.00 O +ATOM 80 CB GLN A 5 -4.359 -0.428 -3.793 1.00 0.00 C +ATOM 81 CG GLN A 5 -4.481 -1.221 -5.109 1.00 0.00 C +ATOM 82 CD GLN A 5 -3.302 -1.006 -6.054 1.00 0.00 C +ATOM 83 OE1 GLN A 5 -2.144 -1.029 -5.666 1.00 0.00 O +ATOM 84 NE2 GLN A 5 -3.557 -0.777 -7.329 1.00 0.00 N +ATOM 85 H GLN A 5 -5.224 0.258 -1.562 1.00 0.00 H +ATOM 86 HA GLN A 5 -4.671 -2.279 -2.721 1.00 0.00 H +ATOM 87 HB2 GLN A 5 -5.247 0.161 -3.669 1.00 0.00 H +ATOM 88 HB3 GLN A 5 -3.541 0.293 -3.855 1.00 0.00 H +ATOM 89 HG2 GLN A 5 -4.542 -2.266 -4.873 1.00 0.00 H +ATOM 90 HG3 GLN A 5 -5.394 -0.897 -5.613 1.00 0.00 H +ATOM 91 HE21 GLN A 5 -4.491 -0.741 -7.700 1.00 0.00 H +ATOM 92 HE22 GLN A 5 -2.737 -0.694 -7.906 1.00 0.00 H +ATOM 93 N TRP A 6 -2.029 -0.624 -1.578 1.00 0.00 N +ATOM 94 CA TRP A 6 -0.665 -0.788 -1.058 1.00 0.00 C +ATOM 95 C TRP A 6 -0.556 -1.893 0.011 1.00 0.00 C +ATOM 96 O TRP A 6 0.331 -2.745 -0.077 1.00 0.00 O +ATOM 97 CB TRP A 6 -0.159 0.559 -0.523 1.00 0.00 C +ATOM 98 CG TRP A 6 1.225 0.523 0.051 1.00 0.00 C +ATOM 99 CD1 TRP A 6 2.372 0.435 -0.663 1.00 0.00 C +ATOM 100 CD2 TRP A 6 1.630 0.513 1.454 1.00 0.00 C +ATOM 101 NE1 TRP A 6 3.451 0.386 0.196 1.00 0.00 N +ATOM 102 CE2 TRP A 6 3.054 0.444 1.511 1.00 0.00 C +ATOM 103 CE3 TRP A 6 0.945 0.537 2.688 1.00 0.00 C +ATOM 104 CZ2 TRP A 6 3.767 0.433 2.717 1.00 0.00 C +ATOM 105 CZ3 TRP A 6 1.648 0.497 3.907 1.00 0.00 C +ATOM 106 CH2 TRP A 6 3.054 0.465 3.925 1.00 0.00 C +ATOM 107 H TRP A 6 -2.509 0.259 -1.436 1.00 0.00 H +ATOM 108 HA TRP A 6 -0.018 -1.090 -1.882 1.00 0.00 H +ATOM 109 HB2 TRP A 6 -0.168 1.265 -1.331 1.00 0.00 H +ATOM 110 HB3 TRP A 6 -0.840 0.912 0.252 1.00 0.00 H +ATOM 111 HD1 TRP A 6 2.432 0.386 -1.739 1.00 0.00 H +ATOM 112 HE1 TRP A 6 4.433 0.309 -0.087 1.00 0.00 H +ATOM 113 HE3 TRP A 6 -0.135 0.584 2.691 1.00 0.00 H +ATOM 114 HZ2 TRP A 6 4.847 0.386 2.702 1.00 0.00 H +ATOM 115 HZ3 TRP A 6 1.107 0.502 4.843 1.00 0.00 H +ATOM 116 HH2 TRP A 6 3.581 0.457 4.869 1.00 0.00 H +ATOM 117 N LEU A 7 -1.463 -1.916 0.999 1.00 0.00 N +ATOM 118 CA LEU A 7 -1.525 -3.000 1.984 1.00 0.00 C +ATOM 119 C LEU A 7 -1.822 -4.357 1.333 1.00 0.00 C +ATOM 120 O LEU A 7 -1.178 -5.338 1.700 1.00 0.00 O +ATOM 121 CB LEU A 7 -2.557 -2.691 3.086 1.00 0.00 C +ATOM 122 CG LEU A 7 -2.097 -1.666 4.139 1.00 0.00 C +ATOM 123 CD1 LEU A 7 -3.252 -1.407 5.113 1.00 0.00 C +ATOM 124 CD2 LEU A 7 -0.893 -2.152 4.958 1.00 0.00 C +ATOM 125 H LEU A 7 -2.157 -1.171 1.046 1.00 0.00 H +ATOM 126 HA LEU A 7 -0.541 -3.101 2.440 1.00 0.00 H +ATOM 127 HB2 LEU A 7 -3.443 -2.310 2.615 1.00 0.00 H +ATOM 128 HB3 LEU A 7 -2.794 -3.620 3.606 1.00 0.00 H +ATOM 129 HG LEU A 7 -1.835 -0.730 3.648 1.00 0.00 H +ATOM 130 HD11 LEU A 7 -4.113 -1.019 4.569 1.00 0.00 H +ATOM 131 HD12 LEU A 7 -3.533 -2.334 5.614 1.00 0.00 H +ATOM 132 HD13 LEU A 7 -2.951 -0.680 5.866 1.00 0.00 H +ATOM 133 HD21 LEU A 7 -1.114 -3.120 5.409 1.00 0.00 H +ATOM 134 HD22 LEU A 7 -0.012 -2.241 4.326 1.00 0.00 H +ATOM 135 HD23 LEU A 7 -0.668 -1.436 5.747 1.00 0.00 H +ATOM 136 N LYS A 8 -2.738 -4.419 0.353 1.00 0.00 N +ATOM 137 CA LYS A 8 -3.104 -5.647 -0.376 1.00 0.00 C +ATOM 138 C LYS A 8 -1.891 -6.322 -1.027 1.00 0.00 C +ATOM 139 O LYS A 8 -1.817 -7.547 -1.040 1.00 0.00 O +ATOM 140 CB LYS A 8 -4.205 -5.340 -1.415 1.00 0.00 C +ATOM 141 CG LYS A 8 -5.335 -6.380 -1.451 1.00 0.00 C +ATOM 142 CD LYS A 8 -4.972 -7.663 -2.207 1.00 0.00 C +ATOM 143 CE LYS A 8 -6.125 -8.664 -2.114 1.00 0.00 C +ATOM 144 NZ LYS A 8 -5.771 -9.943 -2.773 1.00 0.00 N +ATOM 145 H LYS A 8 -3.250 -3.563 0.145 1.00 0.00 H +ATOM 146 HA LYS A 8 -3.490 -6.354 0.358 1.00 0.00 H +ATOM 147 HB2 LYS A 8 -4.633 -4.384 -1.181 1.00 0.00 H +ATOM 148 HB3 LYS A 8 -3.770 -5.224 -2.411 1.00 0.00 H +ATOM 149 HG2 LYS A 8 -5.586 -6.642 -0.441 1.00 0.00 H +ATOM 150 HG3 LYS A 8 -6.197 -5.928 -1.944 1.00 0.00 H +ATOM 151 HD2 LYS A 8 -4.786 -7.429 -3.237 1.00 0.00 H +ATOM 152 HD3 LYS A 8 -4.085 -8.111 -1.765 1.00 0.00 H +ATOM 153 HE2 LYS A 8 -6.345 -8.851 -1.081 1.00 0.00 H +ATOM 154 HE3 LYS A 8 -7.012 -8.228 -2.581 1.00 0.00 H +ATOM 155 HZ1 LYS A 8 -5.589 -9.789 -3.756 1.00 0.00 H +ATOM 156 HZ2 LYS A 8 -4.937 -10.327 -2.348 1.00 0.00 H +ATOM 157 HZ3 LYS A 8 -6.525 -10.610 -2.677 1.00 0.00 H +ATOM 158 N ASP A 9 -0.939 -5.531 -1.526 1.00 0.00 N +ATOM 159 CA ASP A 9 0.321 -6.020 -2.093 1.00 0.00 C +ATOM 160 C ASP A 9 1.283 -6.607 -1.037 1.00 0.00 C +ATOM 161 O ASP A 9 2.139 -7.419 -1.377 1.00 0.00 O +ATOM 162 CB ASP A 9 0.989 -4.858 -2.850 1.00 0.00 C +ATOM 163 CG ASP A 9 1.796 -5.335 -4.057 1.00 0.00 C +ATOM 164 OD1 ASP A 9 1.163 -5.904 -4.975 1.00 0.00 O +ATOM 165 OD2 ASP A 9 3.019 -5.073 -4.070 1.00 0.00 O +ATOM 166 H ASP A 9 -1.118 -4.533 -1.538 1.00 0.00 H +ATOM 167 HA ASP A 9 0.090 -6.813 -2.809 1.00 0.00 H +ATOM 168 HB2 ASP A 9 0.226 -4.185 -3.190 1.00 0.00 H +ATOM 169 HB3 ASP A 9 1.629 -4.297 -2.165 1.00 0.00 H +ATOM 170 N GLY A 10 1.133 -6.217 0.240 1.00 0.00 N +ATOM 171 CA GLY A 10 2.010 -6.592 1.355 1.00 0.00 C +ATOM 172 C GLY A 10 2.573 -5.411 2.161 1.00 0.00 C +ATOM 173 O GLY A 10 3.398 -5.625 3.054 1.00 0.00 O +ATOM 174 H GLY A 10 0.303 -5.675 0.461 1.00 0.00 H +ATOM 175 HA2 GLY A 10 1.445 -7.224 2.039 1.00 0.00 H +ATOM 176 HA3 GLY A 10 2.855 -7.173 0.983 1.00 0.00 H +ATOM 177 N GLY A 11 2.155 -4.169 1.875 1.00 0.00 N +ATOM 178 CA GLY A 11 2.637 -2.966 2.554 1.00 0.00 C +ATOM 179 C GLY A 11 4.173 -2.844 2.510 1.00 0.00 C +ATOM 180 O GLY A 11 4.743 -2.864 1.419 1.00 0.00 O +ATOM 181 H GLY A 11 1.499 -4.036 1.112 1.00 0.00 H +ATOM 182 HA2 GLY A 11 2.212 -2.097 2.057 1.00 0.00 H +ATOM 183 HA3 GLY A 11 2.276 -2.984 3.579 1.00 0.00 H +ATOM 184 N PRO A 12 4.876 -2.729 3.659 1.00 0.00 N +ATOM 185 CA PRO A 12 6.341 -2.693 3.687 1.00 0.00 C +ATOM 186 C PRO A 12 7.005 -3.929 3.062 1.00 0.00 C +ATOM 187 O PRO A 12 8.095 -3.815 2.504 1.00 0.00 O +ATOM 188 CB PRO A 12 6.736 -2.568 5.165 1.00 0.00 C +ATOM 189 CG PRO A 12 5.479 -2.037 5.847 1.00 0.00 C +ATOM 190 CD PRO A 12 4.350 -2.640 5.013 1.00 0.00 C +ATOM 191 HA PRO A 12 6.678 -1.805 3.152 1.00 0.00 H +ATOM 192 HB2 PRO A 12 7.012 -3.524 5.567 1.00 0.00 H +ATOM 193 HB3 PRO A 12 7.579 -1.889 5.296 1.00 0.00 H +ATOM 194 HG2 PRO A 12 5.424 -2.369 6.866 1.00 0.00 H +ATOM 195 HG3 PRO A 12 5.453 -0.949 5.767 1.00 0.00 H +ATOM 196 HD2 PRO A 12 4.091 -3.614 5.380 1.00 0.00 H +ATOM 197 HD3 PRO A 12 3.468 -2.003 5.070 1.00 0.00 H +ATOM 198 N SER A 13 6.350 -5.101 3.114 1.00 0.00 N +ATOM 199 CA SER A 13 6.894 -6.348 2.558 1.00 0.00 C +ATOM 200 C SER A 13 7.064 -6.302 1.037 1.00 0.00 C +ATOM 201 O SER A 13 7.806 -7.118 0.493 1.00 0.00 O +ATOM 202 CB SER A 13 5.994 -7.536 2.906 1.00 0.00 C +ATOM 203 OG SER A 13 6.670 -8.733 2.580 1.00 0.00 O +ATOM 204 H SER A 13 5.406 -5.120 3.489 1.00 0.00 H +ATOM 205 HA SER A 13 7.875 -6.522 3.002 1.00 0.00 H +ATOM 206 HB2 SER A 13 5.770 -7.523 3.955 1.00 0.00 H +ATOM 207 HB3 SER A 13 5.068 -7.474 2.335 1.00 0.00 H +ATOM 208 HG SER A 13 7.095 -8.611 1.716 1.00 0.00 H +ATOM 209 N SER A 14 6.380 -5.370 0.366 1.00 0.00 N +ATOM 210 CA SER A 14 6.436 -5.119 -1.073 1.00 0.00 C +ATOM 211 C SER A 14 7.612 -4.213 -1.472 1.00 0.00 C +ATOM 212 O SER A 14 7.787 -3.922 -2.655 1.00 0.00 O +ATOM 213 CB SER A 14 5.135 -4.433 -1.522 1.00 0.00 C +ATOM 214 OG SER A 14 4.021 -4.846 -0.754 1.00 0.00 O +ATOM 215 H SER A 14 5.700 -4.806 0.866 1.00 0.00 H +ATOM 216 HA SER A 14 6.525 -6.070 -1.599 1.00 0.00 H +ATOM 217 HB2 SER A 14 5.251 -3.371 -1.420 1.00 0.00 H +ATOM 218 HB3 SER A 14 4.963 -4.657 -2.575 1.00 0.00 H +ATOM 219 HG SER A 14 3.267 -4.316 -1.024 1.00 0.00 H +ATOM 220 N GLY A 15 8.377 -3.685 -0.506 1.00 0.00 N +ATOM 221 CA GLY A 15 9.506 -2.771 -0.715 1.00 0.00 C +ATOM 222 C GLY A 15 9.108 -1.335 -1.091 1.00 0.00 C +ATOM 223 O GLY A 15 9.766 -0.389 -0.660 1.00 0.00 O +ATOM 224 H GLY A 15 8.157 -3.928 0.457 1.00 0.00 H +ATOM 225 HA2 GLY A 15 10.096 -2.732 0.199 1.00 0.00 H +ATOM 226 HA3 GLY A 15 10.140 -3.166 -1.510 1.00 0.00 H +ATOM 227 N ARG A 16 8.034 -1.153 -1.871 1.00 0.00 N +ATOM 228 CA ARG A 16 7.469 0.154 -2.234 1.00 0.00 C +ATOM 229 C ARG A 16 6.973 0.913 -0.978 1.00 0.00 C +ATOM 230 O ARG A 16 6.211 0.332 -0.200 1.00 0.00 O +ATOM 231 CB ARG A 16 6.320 -0.061 -3.236 1.00 0.00 C +ATOM 232 CG ARG A 16 5.701 1.259 -3.728 1.00 0.00 C +ATOM 233 CD ARG A 16 4.282 1.081 -4.280 1.00 0.00 C +ATOM 234 NE ARG A 16 3.436 2.223 -3.888 1.00 0.00 N +ATOM 235 CZ ARG A 16 2.113 2.270 -3.848 1.00 0.00 C +ATOM 236 NH1 ARG A 16 1.365 1.261 -4.236 1.00 0.00 N +ATOM 237 NH2 ARG A 16 1.519 3.348 -3.396 1.00 0.00 N +ATOM 238 H ARG A 16 7.609 -2.003 -2.232 1.00 0.00 H +ATOM 239 HA ARG A 16 8.260 0.723 -2.719 1.00 0.00 H +ATOM 240 HB2 ARG A 16 6.701 -0.598 -4.084 1.00 0.00 H +ATOM 241 HB3 ARG A 16 5.552 -0.663 -2.744 1.00 0.00 H +ATOM 242 HG2 ARG A 16 5.665 1.948 -2.906 1.00 0.00 H +ATOM 243 HG3 ARG A 16 6.342 1.711 -4.487 1.00 0.00 H +ATOM 244 HD2 ARG A 16 4.323 1.021 -5.351 1.00 0.00 H +ATOM 245 HD3 ARG A 16 3.851 0.165 -3.875 1.00 0.00 H +ATOM 246 HE ARG A 16 3.920 3.015 -3.494 1.00 0.00 H +ATOM 247 HH11 ARG A 16 1.821 0.446 -4.608 1.00 0.00 H +ATOM 248 HH12 ARG A 16 0.362 1.295 -4.201 1.00 0.00 H +ATOM 249 HH21 ARG A 16 2.072 4.122 -3.070 1.00 0.00 H +ATOM 250 HH22 ARG A 16 0.518 3.399 -3.384 1.00 0.00 H +ATOM 251 N PRO A 17 7.293 2.215 -0.808 1.00 0.00 N +ATOM 252 CA PRO A 17 6.771 3.037 0.288 1.00 0.00 C +ATOM 253 C PRO A 17 5.246 3.279 0.193 1.00 0.00 C +ATOM 254 O PRO A 17 4.657 3.102 -0.882 1.00 0.00 O +ATOM 255 CB PRO A 17 7.554 4.355 0.201 1.00 0.00 C +ATOM 256 CG PRO A 17 7.898 4.468 -1.280 1.00 0.00 C +ATOM 257 CD PRO A 17 8.151 3.015 -1.674 1.00 0.00 C +ATOM 258 HA PRO A 17 6.993 2.548 1.239 1.00 0.00 H +ATOM 259 HB2 PRO A 17 6.949 5.182 0.518 1.00 0.00 H +ATOM 260 HB3 PRO A 17 8.473 4.272 0.782 1.00 0.00 H +ATOM 261 HG2 PRO A 17 7.081 4.884 -1.837 1.00 0.00 H +ATOM 262 HG3 PRO A 17 8.774 5.093 -1.450 1.00 0.00 H +ATOM 263 HD2 PRO A 17 7.895 2.857 -2.704 1.00 0.00 H +ATOM 264 HD3 PRO A 17 9.194 2.757 -1.486 1.00 0.00 H +ATOM 265 N PRO A 18 4.597 3.714 1.294 1.00 0.00 N +ATOM 266 CA PRO A 18 3.162 3.983 1.317 1.00 0.00 C +ATOM 267 C PRO A 18 2.768 5.182 0.431 1.00 0.00 C +ATOM 268 O PRO A 18 3.608 6.024 0.114 1.00 0.00 O +ATOM 269 CB PRO A 18 2.811 4.228 2.790 1.00 0.00 C +ATOM 270 CG PRO A 18 4.117 4.740 3.389 1.00 0.00 C +ATOM 271 CD PRO A 18 5.176 3.963 2.610 1.00 0.00 C +ATOM 272 HA PRO A 18 2.635 3.096 0.970 1.00 0.00 H +ATOM 273 HB2 PRO A 18 2.034 4.962 2.882 1.00 0.00 H +ATOM 274 HB3 PRO A 18 2.539 3.285 3.264 1.00 0.00 H +ATOM 275 HG2 PRO A 18 4.224 5.797 3.237 1.00 0.00 H +ATOM 276 HG3 PRO A 18 4.178 4.547 4.461 1.00 0.00 H +ATOM 277 HD2 PRO A 18 6.074 4.543 2.520 1.00 0.00 H +ATOM 278 HD3 PRO A 18 5.373 3.011 3.105 1.00 0.00 H +ATOM 279 N PRO A 19 1.485 5.278 0.026 1.00 0.00 N +ATOM 280 CA PRO A 19 0.982 6.372 -0.808 1.00 0.00 C +ATOM 281 C PRO A 19 0.682 7.673 -0.045 1.00 0.00 C +ATOM 282 O PRO A 19 0.626 8.727 -0.675 1.00 0.00 O +ATOM 283 CB PRO A 19 -0.302 5.824 -1.426 1.00 0.00 C +ATOM 284 CG PRO A 19 -0.825 4.851 -0.371 1.00 0.00 C +ATOM 285 CD PRO A 19 0.452 4.272 0.229 1.00 0.00 C +ATOM 286 HA PRO A 19 1.699 6.601 -1.599 1.00 0.00 H +ATOM 287 HB2 PRO A 19 -1.008 6.612 -1.603 1.00 0.00 H +ATOM 288 HB3 PRO A 19 -0.052 5.278 -2.333 1.00 0.00 H +ATOM 289 HG2 PRO A 19 -1.402 5.364 0.374 1.00 0.00 H +ATOM 290 HG3 PRO A 19 -1.440 4.069 -0.815 1.00 0.00 H +ATOM 291 HD2 PRO A 19 0.318 4.081 1.276 1.00 0.00 H +ATOM 292 HD3 PRO A 19 0.728 3.363 -0.309 1.00 0.00 H +ATOM 293 N SER A 20 0.482 7.598 1.276 1.00 0.00 N +ATOM 294 CA SER A 20 0.266 8.724 2.196 1.00 0.00 C +ATOM 295 C SER A 20 1.329 8.752 3.288 1.00 0.00 C +ATOM 296 O SER A 20 1.742 7.644 3.706 1.00 0.00 O +ATOM 297 CB SER A 20 -1.141 8.690 2.805 1.00 0.00 C +ATOM 298 OG SER A 20 -1.374 7.496 3.524 1.00 0.00 O +ATOM 299 OXT SER A 20 1.652 9.878 3.716 1.00 0.00 O +ATOM 300 H SER A 20 0.581 6.704 1.731 1.00 0.00 H +ATOM 301 HA SER A 20 0.368 9.660 1.645 1.00 0.00 H +ATOM 302 HB2 SER A 20 -1.251 9.524 3.471 1.00 0.00 H +ATOM 303 HB3 SER A 20 -1.884 8.784 2.011 1.00 0.00 H +ATOM 304 HG SER A 20 -0.759 7.480 4.268 1.00 0.00 H +TER 305 SER A 20 +ENDMDL +MODEL 21 +ATOM 1 N ASN A 1 -8.205 5.399 0.404 1.00 0.00 N +ATOM 2 CA ASN A 1 -8.421 4.425 -0.695 1.00 0.00 C +ATOM 3 C ASN A 1 -7.126 3.775 -1.163 1.00 0.00 C +ATOM 4 O ASN A 1 -6.987 2.568 -1.004 1.00 0.00 O +ATOM 5 CB ASN A 1 -9.214 5.043 -1.856 1.00 0.00 C +ATOM 6 CG ASN A 1 -10.664 5.161 -1.424 1.00 0.00 C +ATOM 7 OD1 ASN A 1 -10.997 6.047 -0.655 1.00 0.00 O +ATOM 8 ND2 ASN A 1 -11.516 4.226 -1.803 1.00 0.00 N +ATOM 9 H1 ASN A 1 -7.624 4.992 1.125 1.00 0.00 H +ATOM 10 H2 ASN A 1 -7.759 6.235 0.050 1.00 0.00 H +ATOM 11 H3 ASN A 1 -9.098 5.664 0.802 1.00 0.00 H +ATOM 12 HA ASN A 1 -9.021 3.603 -0.300 1.00 0.00 H +ATOM 13 HB2 ASN A 1 -8.823 6.015 -2.087 1.00 0.00 H +ATOM 14 HB3 ASN A 1 -9.147 4.412 -2.743 1.00 0.00 H +ATOM 15 HD21 ASN A 1 -11.263 3.457 -2.402 1.00 0.00 H +ATOM 16 HD22 ASN A 1 -12.463 4.349 -1.476 1.00 0.00 H +ATOM 17 N LEU A 2 -6.172 4.549 -1.692 1.00 0.00 N +ATOM 18 CA LEU A 2 -4.889 4.051 -2.203 1.00 0.00 C +ATOM 19 C LEU A 2 -4.114 3.184 -1.190 1.00 0.00 C +ATOM 20 O LEU A 2 -3.509 2.181 -1.570 1.00 0.00 O +ATOM 21 CB LEU A 2 -4.073 5.277 -2.655 1.00 0.00 C +ATOM 22 CG LEU A 2 -4.033 5.475 -4.183 1.00 0.00 C +ATOM 23 CD1 LEU A 2 -4.073 6.965 -4.529 1.00 0.00 C +ATOM 24 CD2 LEU A 2 -2.762 4.845 -4.764 1.00 0.00 C +ATOM 25 H LEU A 2 -6.330 5.538 -1.816 1.00 0.00 H +ATOM 26 HA LEU A 2 -5.081 3.408 -3.065 1.00 0.00 H +ATOM 27 HB2 LEU A 2 -4.507 6.153 -2.213 1.00 0.00 H +ATOM 28 HB3 LEU A 2 -3.055 5.173 -2.305 1.00 0.00 H +ATOM 29 HG LEU A 2 -4.900 4.998 -4.643 1.00 0.00 H +ATOM 30 HD11 LEU A 2 -5.100 7.324 -4.467 1.00 0.00 H +ATOM 31 HD12 LEU A 2 -3.450 7.536 -3.839 1.00 0.00 H +ATOM 32 HD13 LEU A 2 -3.711 7.128 -5.545 1.00 0.00 H +ATOM 33 HD21 LEU A 2 -1.884 5.386 -4.413 1.00 0.00 H +ATOM 34 HD22 LEU A 2 -2.688 3.801 -4.461 1.00 0.00 H +ATOM 35 HD23 LEU A 2 -2.792 4.898 -5.853 1.00 0.00 H +ATOM 36 N TYR A 3 -4.187 3.525 0.103 1.00 0.00 N +ATOM 37 CA TYR A 3 -3.556 2.775 1.192 1.00 0.00 C +ATOM 38 C TYR A 3 -4.000 1.305 1.250 1.00 0.00 C +ATOM 39 O TYR A 3 -3.195 0.429 1.563 1.00 0.00 O +ATOM 40 CB TYR A 3 -3.840 3.474 2.532 1.00 0.00 C +ATOM 41 CG TYR A 3 -2.641 3.483 3.456 1.00 0.00 C +ATOM 42 CD1 TYR A 3 -2.318 2.335 4.203 1.00 0.00 C +ATOM 43 CD2 TYR A 3 -1.834 4.634 3.549 1.00 0.00 C +ATOM 44 CE1 TYR A 3 -1.190 2.334 5.043 1.00 0.00 C +ATOM 45 CE2 TYR A 3 -0.712 4.643 4.398 1.00 0.00 C +ATOM 46 CZ TYR A 3 -0.385 3.488 5.143 1.00 0.00 C +ATOM 47 OH TYR A 3 0.689 3.483 5.975 1.00 0.00 O +ATOM 48 H TYR A 3 -4.659 4.384 0.331 1.00 0.00 H +ATOM 49 HA TYR A 3 -2.477 2.787 1.022 1.00 0.00 H +ATOM 50 HB2 TYR A 3 -4.128 4.489 2.335 1.00 0.00 H +ATOM 51 HB3 TYR A 3 -4.675 2.981 3.036 1.00 0.00 H +ATOM 52 HD1 TYR A 3 -2.934 1.451 4.126 1.00 0.00 H +ATOM 53 HD2 TYR A 3 -2.071 5.516 2.968 1.00 0.00 H +ATOM 54 HE1 TYR A 3 -0.931 1.461 5.624 1.00 0.00 H +ATOM 55 HE2 TYR A 3 -0.096 5.527 4.474 1.00 0.00 H +ATOM 56 HH TYR A 3 0.536 4.026 6.750 1.00 0.00 H +ATOM 57 N ILE A 4 -5.268 1.027 0.907 1.00 0.00 N +ATOM 58 CA ILE A 4 -5.809 -0.333 0.842 1.00 0.00 C +ATOM 59 C ILE A 4 -5.065 -1.132 -0.228 1.00 0.00 C +ATOM 60 O ILE A 4 -4.619 -2.244 0.044 1.00 0.00 O +ATOM 61 CB ILE A 4 -7.333 -0.322 0.572 1.00 0.00 C +ATOM 62 CG1 ILE A 4 -8.130 0.602 1.523 1.00 0.00 C +ATOM 63 CG2 ILE A 4 -7.912 -1.748 0.626 1.00 0.00 C +ATOM 64 CD1 ILE A 4 -7.837 0.419 3.019 1.00 0.00 C +ATOM 65 H ILE A 4 -5.853 1.783 0.573 1.00 0.00 H +ATOM 66 HA ILE A 4 -5.628 -0.825 1.798 1.00 0.00 H +ATOM 67 HB ILE A 4 -7.498 0.045 -0.442 1.00 0.00 H +ATOM 68 HG12 ILE A 4 -7.904 1.618 1.263 1.00 0.00 H +ATOM 69 HG13 ILE A 4 -9.195 0.439 1.352 1.00 0.00 H +ATOM 70 HG21 ILE A 4 -7.438 -2.382 -0.123 1.00 0.00 H +ATOM 71 HG22 ILE A 4 -7.755 -2.190 1.610 1.00 0.00 H +ATOM 72 HG23 ILE A 4 -8.983 -1.721 0.418 1.00 0.00 H +ATOM 73 HD11 ILE A 4 -7.575 -0.614 3.246 1.00 0.00 H +ATOM 74 HD12 ILE A 4 -7.012 1.067 3.316 1.00 0.00 H +ATOM 75 HD13 ILE A 4 -8.722 0.689 3.595 1.00 0.00 H +ATOM 76 N GLN A 5 -4.894 -0.554 -1.425 1.00 0.00 N +ATOM 77 CA GLN A 5 -4.180 -1.182 -2.538 1.00 0.00 C +ATOM 78 C GLN A 5 -2.711 -1.453 -2.172 1.00 0.00 C +ATOM 79 O GLN A 5 -2.211 -2.547 -2.418 1.00 0.00 O +ATOM 80 CB GLN A 5 -4.321 -0.301 -3.794 1.00 0.00 C +ATOM 81 CG GLN A 5 -4.173 -1.098 -5.104 1.00 0.00 C +ATOM 82 CD GLN A 5 -2.956 -0.675 -5.920 1.00 0.00 C +ATOM 83 OE1 GLN A 5 -1.933 -1.333 -5.943 1.00 0.00 O +ATOM 84 NE2 GLN A 5 -3.020 0.437 -6.629 1.00 0.00 N +ATOM 85 H GLN A 5 -5.218 0.396 -1.539 1.00 0.00 H +ATOM 86 HA GLN A 5 -4.656 -2.143 -2.729 1.00 0.00 H +ATOM 87 HB2 GLN A 5 -5.289 0.161 -3.782 1.00 0.00 H +ATOM 88 HB3 GLN A 5 -3.593 0.512 -3.762 1.00 0.00 H +ATOM 89 HG2 GLN A 5 -4.079 -2.139 -4.863 1.00 0.00 H +ATOM 90 HG3 GLN A 5 -5.066 -0.948 -5.712 1.00 0.00 H +ATOM 91 HE21 GLN A 5 -3.834 1.023 -6.661 1.00 0.00 H +ATOM 92 HE22 GLN A 5 -2.179 0.616 -7.149 1.00 0.00 H +ATOM 93 N TRP A 6 -2.050 -0.491 -1.510 1.00 0.00 N +ATOM 94 CA TRP A 6 -0.682 -0.649 -1.004 1.00 0.00 C +ATOM 95 C TRP A 6 -0.552 -1.777 0.033 1.00 0.00 C +ATOM 96 O TRP A 6 0.343 -2.619 -0.074 1.00 0.00 O +ATOM 97 CB TRP A 6 -0.195 0.683 -0.426 1.00 0.00 C +ATOM 98 CG TRP A 6 1.199 0.640 0.118 1.00 0.00 C +ATOM 99 CD1 TRP A 6 2.328 0.641 -0.626 1.00 0.00 C +ATOM 100 CD2 TRP A 6 1.638 0.542 1.510 1.00 0.00 C +ATOM 101 NE1 TRP A 6 3.424 0.533 0.208 1.00 0.00 N +ATOM 102 CE2 TRP A 6 3.060 0.471 1.527 1.00 0.00 C +ATOM 103 CE3 TRP A 6 0.987 0.512 2.761 1.00 0.00 C +ATOM 104 CZ2 TRP A 6 3.807 0.373 2.709 1.00 0.00 C +ATOM 105 CZ3 TRP A 6 1.723 0.410 3.959 1.00 0.00 C +ATOM 106 CH2 TRP A 6 3.128 0.343 3.936 1.00 0.00 C +ATOM 107 H TRP A 6 -2.536 0.387 -1.350 1.00 0.00 H +ATOM 108 HA TRP A 6 -0.035 -0.916 -1.840 1.00 0.00 H +ATOM 109 HB2 TRP A 6 -0.231 1.421 -1.204 1.00 0.00 H +ATOM 110 HB3 TRP A 6 -0.865 0.995 0.375 1.00 0.00 H +ATOM 111 HD1 TRP A 6 2.362 0.708 -1.706 1.00 0.00 H +ATOM 112 HE1 TRP A 6 4.401 0.535 -0.078 1.00 0.00 H +ATOM 113 HE3 TRP A 6 -0.088 0.583 2.787 1.00 0.00 H +ATOM 114 HZ2 TRP A 6 4.885 0.322 2.660 1.00 0.00 H +ATOM 115 HZ3 TRP A 6 1.210 0.395 4.909 1.00 0.00 H +ATOM 116 HH2 TRP A 6 3.683 0.276 4.862 1.00 0.00 H +ATOM 117 N LEU A 7 -1.451 -1.826 1.027 1.00 0.00 N +ATOM 118 CA LEU A 7 -1.482 -2.920 2.000 1.00 0.00 C +ATOM 119 C LEU A 7 -1.770 -4.274 1.337 1.00 0.00 C +ATOM 120 O LEU A 7 -1.172 -5.271 1.735 1.00 0.00 O +ATOM 121 CB LEU A 7 -2.494 -2.616 3.120 1.00 0.00 C +ATOM 122 CG LEU A 7 -2.022 -1.536 4.111 1.00 0.00 C +ATOM 123 CD1 LEU A 7 -3.153 -1.196 5.086 1.00 0.00 C +ATOM 124 CD2 LEU A 7 -0.804 -1.981 4.934 1.00 0.00 C +ATOM 125 H LEU A 7 -2.149 -1.086 1.092 1.00 0.00 H +ATOM 126 HA LEU A 7 -0.489 -3.014 2.435 1.00 0.00 H +ATOM 127 HB2 LEU A 7 -3.409 -2.283 2.668 1.00 0.00 H +ATOM 128 HB3 LEU A 7 -2.686 -3.532 3.681 1.00 0.00 H +ATOM 129 HG LEU A 7 -1.764 -0.633 3.565 1.00 0.00 H +ATOM 130 HD11 LEU A 7 -4.027 -0.854 4.530 1.00 0.00 H +ATOM 131 HD12 LEU A 7 -3.418 -2.076 5.672 1.00 0.00 H +ATOM 132 HD13 LEU A 7 -2.833 -0.402 5.761 1.00 0.00 H +ATOM 133 HD21 LEU A 7 -1.025 -2.912 5.456 1.00 0.00 H +ATOM 134 HD22 LEU A 7 0.060 -2.128 4.287 1.00 0.00 H +ATOM 135 HD23 LEU A 7 -0.552 -1.214 5.664 1.00 0.00 H +ATOM 136 N LYS A 8 -2.622 -4.312 0.302 1.00 0.00 N +ATOM 137 CA LYS A 8 -2.964 -5.533 -0.446 1.00 0.00 C +ATOM 138 C LYS A 8 -1.748 -6.215 -1.087 1.00 0.00 C +ATOM 139 O LYS A 8 -1.680 -7.440 -1.095 1.00 0.00 O +ATOM 140 CB LYS A 8 -4.040 -5.202 -1.495 1.00 0.00 C +ATOM 141 CG LYS A 8 -5.019 -6.365 -1.703 1.00 0.00 C +ATOM 142 CD LYS A 8 -6.311 -5.884 -2.382 1.00 0.00 C +ATOM 143 CE LYS A 8 -7.429 -6.917 -2.201 1.00 0.00 C +ATOM 144 NZ LYS A 8 -8.063 -6.804 -0.863 1.00 0.00 N +ATOM 145 H LYS A 8 -3.107 -3.448 0.065 1.00 0.00 H +ATOM 146 HA LYS A 8 -3.372 -6.243 0.275 1.00 0.00 H +ATOM 147 HB2 LYS A 8 -4.590 -4.341 -1.167 1.00 0.00 H +ATOM 148 HB3 LYS A 8 -3.577 -4.927 -2.444 1.00 0.00 H +ATOM 149 HG2 LYS A 8 -4.554 -7.109 -2.321 1.00 0.00 H +ATOM 150 HG3 LYS A 8 -5.268 -6.792 -0.732 1.00 0.00 H +ATOM 151 HD2 LYS A 8 -6.615 -4.953 -1.943 1.00 0.00 H +ATOM 152 HD3 LYS A 8 -6.116 -5.737 -3.446 1.00 0.00 H +ATOM 153 HE2 LYS A 8 -8.176 -6.759 -2.955 1.00 0.00 H +ATOM 154 HE3 LYS A 8 -6.998 -7.914 -2.334 1.00 0.00 H +ATOM 155 HZ1 LYS A 8 -7.353 -6.774 -0.143 1.00 0.00 H +ATOM 156 HZ2 LYS A 8 -8.612 -5.957 -0.808 1.00 0.00 H +ATOM 157 HZ3 LYS A 8 -8.670 -7.595 -0.691 1.00 0.00 H +ATOM 158 N ASP A 9 -0.774 -5.426 -1.557 1.00 0.00 N +ATOM 159 CA ASP A 9 0.530 -5.873 -2.078 1.00 0.00 C +ATOM 160 C ASP A 9 1.485 -6.399 -0.981 1.00 0.00 C +ATOM 161 O ASP A 9 2.573 -6.882 -1.301 1.00 0.00 O +ATOM 162 CB ASP A 9 1.212 -4.694 -2.814 1.00 0.00 C +ATOM 163 CG ASP A 9 1.583 -4.991 -4.272 1.00 0.00 C +ATOM 164 OD1 ASP A 9 0.662 -5.343 -5.038 1.00 0.00 O +ATOM 165 OD2 ASP A 9 2.782 -4.809 -4.612 1.00 0.00 O +ATOM 166 H ASP A 9 -0.962 -4.430 -1.556 1.00 0.00 H +ATOM 167 HA ASP A 9 0.358 -6.689 -2.785 1.00 0.00 H +ATOM 168 HB2 ASP A 9 0.541 -3.857 -2.802 1.00 0.00 H +ATOM 169 HB3 ASP A 9 2.121 -4.414 -2.279 1.00 0.00 H +ATOM 170 N GLY A 10 1.125 -6.270 0.304 1.00 0.00 N +ATOM 171 CA GLY A 10 1.936 -6.685 1.451 1.00 0.00 C +ATOM 172 C GLY A 10 2.565 -5.530 2.237 1.00 0.00 C +ATOM 173 O GLY A 10 3.424 -5.778 3.084 1.00 0.00 O +ATOM 174 H GLY A 10 0.211 -5.877 0.508 1.00 0.00 H +ATOM 175 HA2 GLY A 10 1.298 -7.243 2.136 1.00 0.00 H +ATOM 176 HA3 GLY A 10 2.735 -7.352 1.125 1.00 0.00 H +ATOM 177 N GLY A 11 2.184 -4.272 1.973 1.00 0.00 N +ATOM 178 CA GLY A 11 2.732 -3.116 2.683 1.00 0.00 C +ATOM 179 C GLY A 11 4.265 -3.035 2.545 1.00 0.00 C +ATOM 180 O GLY A 11 4.771 -3.134 1.422 1.00 0.00 O +ATOM 181 H GLY A 11 1.507 -4.103 1.237 1.00 0.00 H +ATOM 182 HA2 GLY A 11 2.296 -2.204 2.279 1.00 0.00 H +ATOM 183 HA3 GLY A 11 2.443 -3.201 3.729 1.00 0.00 H +ATOM 184 N PRO A 12 5.029 -2.881 3.651 1.00 0.00 N +ATOM 185 CA PRO A 12 6.491 -2.829 3.600 1.00 0.00 C +ATOM 186 C PRO A 12 7.138 -4.072 2.966 1.00 0.00 C +ATOM 187 O PRO A 12 8.211 -3.949 2.375 1.00 0.00 O +ATOM 188 CB PRO A 12 6.970 -2.642 5.048 1.00 0.00 C +ATOM 189 CG PRO A 12 5.734 -2.162 5.806 1.00 0.00 C +ATOM 190 CD PRO A 12 4.578 -2.795 5.033 1.00 0.00 C +ATOM 191 HA PRO A 12 6.783 -1.953 3.019 1.00 0.00 H +ATOM 192 HB2 PRO A 12 7.325 -3.570 5.452 1.00 0.00 H +ATOM 193 HB3 PRO A 12 7.775 -1.907 5.107 1.00 0.00 H +ATOM 194 HG2 PRO A 12 5.750 -2.505 6.823 1.00 0.00 H +ATOM 195 HG3 PRO A 12 5.663 -1.077 5.744 1.00 0.00 H +ATOM 196 HD2 PRO A 12 4.362 -3.773 5.418 1.00 0.00 H +ATOM 197 HD3 PRO A 12 3.684 -2.179 5.140 1.00 0.00 H +ATOM 198 N SER A 13 6.492 -5.249 3.030 1.00 0.00 N +ATOM 199 CA SER A 13 7.032 -6.510 2.502 1.00 0.00 C +ATOM 200 C SER A 13 7.252 -6.475 0.991 1.00 0.00 C +ATOM 201 O SER A 13 8.198 -7.085 0.501 1.00 0.00 O +ATOM 202 CB SER A 13 6.085 -7.675 2.806 1.00 0.00 C +ATOM 203 OG SER A 13 5.872 -7.807 4.197 1.00 0.00 O +ATOM 204 H SER A 13 5.578 -5.299 3.472 1.00 0.00 H +ATOM 205 HA SER A 13 7.994 -6.707 2.977 1.00 0.00 H +ATOM 206 HB2 SER A 13 5.144 -7.497 2.322 1.00 0.00 H +ATOM 207 HB3 SER A 13 6.513 -8.600 2.417 1.00 0.00 H +ATOM 208 HG SER A 13 6.506 -8.436 4.551 1.00 0.00 H +ATOM 209 N SER A 14 6.398 -5.751 0.257 1.00 0.00 N +ATOM 210 CA SER A 14 6.540 -5.569 -1.189 1.00 0.00 C +ATOM 211 C SER A 14 7.723 -4.673 -1.582 1.00 0.00 C +ATOM 212 O SER A 14 8.110 -4.660 -2.750 1.00 0.00 O +ATOM 213 CB SER A 14 5.248 -4.986 -1.771 1.00 0.00 C +ATOM 214 OG SER A 14 4.583 -5.979 -2.515 1.00 0.00 O +ATOM 215 H SER A 14 5.654 -5.262 0.743 1.00 0.00 H +ATOM 216 HA SER A 14 6.710 -6.543 -1.651 1.00 0.00 H +ATOM 217 HB2 SER A 14 4.614 -4.652 -0.972 1.00 0.00 H +ATOM 218 HB3 SER A 14 5.507 -4.180 -2.451 1.00 0.00 H +ATOM 219 HG SER A 14 3.809 -6.342 -2.003 1.00 0.00 H +ATOM 220 N GLY A 15 8.298 -3.917 -0.635 1.00 0.00 N +ATOM 221 CA GLY A 15 9.467 -3.068 -0.877 1.00 0.00 C +ATOM 222 C GLY A 15 9.130 -1.720 -1.522 1.00 0.00 C +ATOM 223 O GLY A 15 9.898 -1.231 -2.349 1.00 0.00 O +ATOM 224 H GLY A 15 7.970 -4.008 0.322 1.00 0.00 H +ATOM 225 HA2 GLY A 15 9.963 -2.879 0.074 1.00 0.00 H +ATOM 226 HA3 GLY A 15 10.166 -3.596 -1.527 1.00 0.00 H +ATOM 227 N ARG A 16 7.986 -1.120 -1.164 1.00 0.00 N +ATOM 228 CA ARG A 16 7.493 0.155 -1.712 1.00 0.00 C +ATOM 229 C ARG A 16 6.893 1.052 -0.617 1.00 0.00 C +ATOM 230 O ARG A 16 6.228 0.526 0.276 1.00 0.00 O +ATOM 231 CB ARG A 16 6.486 -0.108 -2.852 1.00 0.00 C +ATOM 232 CG ARG A 16 5.371 -1.121 -2.515 1.00 0.00 C +ATOM 233 CD ARG A 16 4.390 -1.352 -3.682 1.00 0.00 C +ATOM 234 NE ARG A 16 4.505 -2.695 -4.282 1.00 0.00 N +ATOM 235 CZ ARG A 16 5.417 -3.159 -5.117 1.00 0.00 C +ATOM 236 NH1 ARG A 16 6.381 -2.403 -5.595 1.00 0.00 N +ATOM 237 NH2 ARG A 16 5.336 -4.410 -5.482 1.00 0.00 N +ATOM 238 H ARG A 16 7.428 -1.572 -0.451 1.00 0.00 H +ATOM 239 HA ARG A 16 8.348 0.677 -2.139 1.00 0.00 H +ATOM 240 HB2 ARG A 16 6.022 0.825 -3.109 1.00 0.00 H +ATOM 241 HB3 ARG A 16 7.046 -0.475 -3.709 1.00 0.00 H +ATOM 242 HG2 ARG A 16 5.827 -2.059 -2.261 1.00 0.00 H +ATOM 243 HG3 ARG A 16 4.805 -0.751 -1.666 1.00 0.00 H +ATOM 244 HD2 ARG A 16 3.389 -1.227 -3.316 1.00 0.00 H +ATOM 245 HD3 ARG A 16 4.531 -0.590 -4.449 1.00 0.00 H +ATOM 246 HE ARG A 16 3.776 -3.394 -4.104 1.00 0.00 H +ATOM 247 HH11 ARG A 16 6.393 -1.440 -5.320 1.00 0.00 H +ATOM 248 HH12 ARG A 16 7.062 -2.775 -6.231 1.00 0.00 H +ATOM 249 HH21 ARG A 16 4.489 -4.903 -5.147 1.00 0.00 H +ATOM 250 HH22 ARG A 16 6.023 -4.858 -6.055 1.00 0.00 H +ATOM 251 N PRO A 17 7.075 2.387 -0.684 1.00 0.00 N +ATOM 252 CA PRO A 17 6.538 3.322 0.308 1.00 0.00 C +ATOM 253 C PRO A 17 5.011 3.481 0.186 1.00 0.00 C +ATOM 254 O PRO A 17 4.452 3.191 -0.874 1.00 0.00 O +ATOM 255 CB PRO A 17 7.258 4.647 0.031 1.00 0.00 C +ATOM 256 CG PRO A 17 7.545 4.595 -1.468 1.00 0.00 C +ATOM 257 CD PRO A 17 7.782 3.109 -1.733 1.00 0.00 C +ATOM 258 HA PRO A 17 6.789 2.972 1.310 1.00 0.00 H +ATOM 259 HB2 PRO A 17 6.629 5.482 0.272 1.00 0.00 H +ATOM 260 HB3 PRO A 17 8.199 4.671 0.582 1.00 0.00 H +ATOM 261 HG2 PRO A 17 6.707 4.957 -2.032 1.00 0.00 H +ATOM 262 HG3 PRO A 17 8.418 5.192 -1.732 1.00 0.00 H +ATOM 263 HD2 PRO A 17 7.395 2.837 -2.696 1.00 0.00 H +ATOM 264 HD3 PRO A 17 8.849 2.890 -1.670 1.00 0.00 H +ATOM 265 N PRO A 18 4.330 3.962 1.245 1.00 0.00 N +ATOM 266 CA PRO A 18 2.890 4.179 1.221 1.00 0.00 C +ATOM 267 C PRO A 18 2.501 5.385 0.341 1.00 0.00 C +ATOM 268 O PRO A 18 3.270 6.342 0.211 1.00 0.00 O +ATOM 269 CB PRO A 18 2.483 4.404 2.680 1.00 0.00 C +ATOM 270 CG PRO A 18 3.743 4.989 3.313 1.00 0.00 C +ATOM 271 CD PRO A 18 4.873 4.294 2.554 1.00 0.00 C +ATOM 272 HA PRO A 18 2.410 3.277 0.849 1.00 0.00 H +ATOM 273 HB2 PRO A 18 1.664 5.093 2.748 1.00 0.00 H +ATOM 274 HB3 PRO A 18 2.248 3.446 3.144 1.00 0.00 H +ATOM 275 HG2 PRO A 18 3.784 6.052 3.175 1.00 0.00 H +ATOM 276 HG3 PRO A 18 3.788 4.783 4.383 1.00 0.00 H +ATOM 277 HD2 PRO A 18 5.715 4.952 2.453 1.00 0.00 H +ATOM 278 HD3 PRO A 18 5.153 3.376 3.072 1.00 0.00 H +ATOM 279 N PRO A 19 1.280 5.377 -0.223 1.00 0.00 N +ATOM 280 CA PRO A 19 0.762 6.450 -1.060 1.00 0.00 C +ATOM 281 C PRO A 19 0.382 7.663 -0.198 1.00 0.00 C +ATOM 282 O PRO A 19 -0.624 7.631 0.512 1.00 0.00 O +ATOM 283 CB PRO A 19 -0.435 5.840 -1.790 1.00 0.00 C +ATOM 284 CG PRO A 19 -0.951 4.783 -0.812 1.00 0.00 C +ATOM 285 CD PRO A 19 0.299 4.311 -0.088 1.00 0.00 C +ATOM 286 HA PRO A 19 1.508 6.751 -1.796 1.00 0.00 H +ATOM 287 HB2 PRO A 19 -1.185 6.582 -1.983 1.00 0.00 H +ATOM 288 HB3 PRO A 19 -0.088 5.348 -2.699 1.00 0.00 H +ATOM 289 HG2 PRO A 19 -1.652 5.211 -0.122 1.00 0.00 H +ATOM 290 HG3 PRO A 19 -1.423 3.952 -1.333 1.00 0.00 H +ATOM 291 HD2 PRO A 19 0.083 4.134 0.948 1.00 0.00 H +ATOM 292 HD3 PRO A 19 0.683 3.414 -0.572 1.00 0.00 H +ATOM 293 N SER A 20 1.217 8.708 -0.251 1.00 0.00 N +ATOM 294 CA SER A 20 0.998 10.004 0.410 1.00 0.00 C +ATOM 295 C SER A 20 0.315 10.992 -0.534 1.00 0.00 C +ATOM 296 O SER A 20 0.887 11.215 -1.624 1.00 0.00 O +ATOM 297 CB SER A 20 2.322 10.595 0.894 1.00 0.00 C +ATOM 298 OG SER A 20 2.966 9.680 1.760 1.00 0.00 O +ATOM 299 OXT SER A 20 -0.750 11.510 -0.139 1.00 0.00 O +ATOM 300 H SER A 20 1.987 8.656 -0.900 1.00 0.00 H +ATOM 301 HA SER A 20 0.337 9.875 1.267 1.00 0.00 H +ATOM 302 HB2 SER A 20 2.954 10.792 0.050 1.00 0.00 H +ATOM 303 HB3 SER A 20 2.127 11.529 1.425 1.00 0.00 H +ATOM 304 HG SER A 20 3.007 8.832 1.306 1.00 0.00 H +TER 305 SER A 20 +ENDMDL +MODEL 22 +ATOM 1 N ASN A 1 -7.147 6.420 -0.321 1.00 0.00 N +ATOM 2 CA ASN A 1 -7.735 5.239 -1.002 1.00 0.00 C +ATOM 3 C ASN A 1 -6.654 4.233 -1.423 1.00 0.00 C +ATOM 4 O ASN A 1 -6.828 3.043 -1.189 1.00 0.00 O +ATOM 5 CB ASN A 1 -8.631 5.670 -2.180 1.00 0.00 C +ATOM 6 CG ASN A 1 -7.791 6.178 -3.342 1.00 0.00 C +ATOM 7 OD1 ASN A 1 -6.938 7.030 -3.134 1.00 0.00 O +ATOM 8 ND2 ASN A 1 -7.925 5.610 -4.527 1.00 0.00 N +ATOM 9 H1 ASN A 1 -6.444 6.132 0.344 1.00 0.00 H +ATOM 10 H2 ASN A 1 -6.730 7.032 -1.016 1.00 0.00 H +ATOM 11 H3 ASN A 1 -7.869 6.934 0.166 1.00 0.00 H +ATOM 12 HA ASN A 1 -8.365 4.712 -0.285 1.00 0.00 H +ATOM 13 HB2 ASN A 1 -9.211 4.828 -2.507 1.00 0.00 H +ATOM 14 HB3 ASN A 1 -9.301 6.470 -1.860 1.00 0.00 H +ATOM 15 HD21 ASN A 1 -8.593 4.875 -4.704 1.00 0.00 H +ATOM 16 HD22 ASN A 1 -7.334 5.964 -5.263 1.00 0.00 H +ATOM 17 N LEU A 2 -5.522 4.698 -1.980 1.00 0.00 N +ATOM 18 CA LEU A 2 -4.409 3.863 -2.457 1.00 0.00 C +ATOM 19 C LEU A 2 -3.793 2.972 -1.363 1.00 0.00 C +ATOM 20 O LEU A 2 -3.233 1.920 -1.669 1.00 0.00 O +ATOM 21 CB LEU A 2 -3.326 4.784 -3.046 1.00 0.00 C +ATOM 22 CG LEU A 2 -3.749 5.553 -4.315 1.00 0.00 C +ATOM 23 CD1 LEU A 2 -2.850 6.776 -4.507 1.00 0.00 C +ATOM 24 CD2 LEU A 2 -3.680 4.665 -5.559 1.00 0.00 C +ATOM 25 H LEU A 2 -5.460 5.679 -2.226 1.00 0.00 H +ATOM 26 HA LEU A 2 -4.775 3.199 -3.243 1.00 0.00 H +ATOM 27 HB2 LEU A 2 -3.054 5.502 -2.296 1.00 0.00 H +ATOM 28 HB3 LEU A 2 -2.440 4.192 -3.280 1.00 0.00 H +ATOM 29 HG LEU A 2 -4.770 5.913 -4.203 1.00 0.00 H +ATOM 30 HD11 LEU A 2 -2.889 7.409 -3.621 1.00 0.00 H +ATOM 31 HD12 LEU A 2 -1.821 6.467 -4.687 1.00 0.00 H +ATOM 32 HD13 LEU A 2 -3.206 7.360 -5.357 1.00 0.00 H +ATOM 33 HD21 LEU A 2 -2.700 4.193 -5.633 1.00 0.00 H +ATOM 34 HD22 LEU A 2 -4.449 3.893 -5.510 1.00 0.00 H +ATOM 35 HD23 LEU A 2 -3.847 5.268 -6.452 1.00 0.00 H +ATOM 36 N TYR A 3 -3.931 3.366 -0.089 1.00 0.00 N +ATOM 37 CA TYR A 3 -3.447 2.623 1.074 1.00 0.00 C +ATOM 38 C TYR A 3 -3.964 1.180 1.109 1.00 0.00 C +ATOM 39 O TYR A 3 -3.229 0.272 1.491 1.00 0.00 O +ATOM 40 CB TYR A 3 -3.837 3.358 2.368 1.00 0.00 C +ATOM 41 CG TYR A 3 -2.695 3.445 3.358 1.00 0.00 C +ATOM 42 CD1 TYR A 3 -2.319 2.321 4.114 1.00 0.00 C +ATOM 43 CD2 TYR A 3 -1.990 4.653 3.499 1.00 0.00 C +ATOM 44 CE1 TYR A 3 -1.242 2.408 5.016 1.00 0.00 C +ATOM 45 CE2 TYR A 3 -0.914 4.751 4.400 1.00 0.00 C +ATOM 46 CZ TYR A 3 -0.539 3.622 5.162 1.00 0.00 C +ATOM 47 OH TYR A 3 0.485 3.702 6.054 1.00 0.00 O +ATOM 48 H TYR A 3 -4.371 4.256 0.070 1.00 0.00 H +ATOM 49 HA TYR A 3 -2.359 2.584 1.015 1.00 0.00 H +ATOM 50 HB2 TYR A 3 -4.150 4.353 2.117 1.00 0.00 H +ATOM 51 HB3 TYR A 3 -4.678 2.850 2.844 1.00 0.00 H +ATOM 52 HD1 TYR A 3 -2.858 1.392 4.001 1.00 0.00 H +ATOM 53 HD2 TYR A 3 -2.289 5.504 2.906 1.00 0.00 H +ATOM 54 HE1 TYR A 3 -0.942 1.554 5.604 1.00 0.00 H +ATOM 55 HE2 TYR A 3 -0.364 5.678 4.516 1.00 0.00 H +ATOM 56 HH TYR A 3 0.190 4.071 6.890 1.00 0.00 H +ATOM 57 N ILE A 4 -5.213 0.963 0.670 1.00 0.00 N +ATOM 58 CA ILE A 4 -5.823 -0.366 0.587 1.00 0.00 C +ATOM 59 C ILE A 4 -5.035 -1.235 -0.401 1.00 0.00 C +ATOM 60 O ILE A 4 -4.639 -2.349 -0.066 1.00 0.00 O +ATOM 61 CB ILE A 4 -7.315 -0.267 0.189 1.00 0.00 C +ATOM 62 CG1 ILE A 4 -8.131 0.588 1.186 1.00 0.00 C +ATOM 63 CG2 ILE A 4 -7.906 -1.688 0.098 1.00 0.00 C +ATOM 64 CD1 ILE A 4 -9.426 1.134 0.567 1.00 0.00 C +ATOM 65 H ILE A 4 -5.742 1.753 0.322 1.00 0.00 H +ATOM 66 HA ILE A 4 -5.754 -0.841 1.568 1.00 0.00 H +ATOM 67 HB ILE A 4 -7.380 0.200 -0.796 1.00 0.00 H +ATOM 68 HG12 ILE A 4 -8.384 -0.019 2.034 1.00 0.00 H +ATOM 69 HG13 ILE A 4 -7.554 1.453 1.513 1.00 0.00 H +ATOM 70 HG21 ILE A 4 -7.613 -2.155 -0.842 1.00 0.00 H +ATOM 71 HG22 ILE A 4 -7.546 -2.302 0.925 1.00 0.00 H +ATOM 72 HG23 ILE A 4 -8.995 -1.665 0.139 1.00 0.00 H +ATOM 73 HD11 ILE A 4 -9.186 1.834 -0.233 1.00 0.00 H +ATOM 74 HD12 ILE A 4 -10.035 0.325 0.163 1.00 0.00 H +ATOM 75 HD13 ILE A 4 -10.000 1.657 1.332 1.00 0.00 H +ATOM 76 N GLN A 5 -4.770 -0.707 -1.602 1.00 0.00 N +ATOM 77 CA GLN A 5 -4.004 -1.401 -2.634 1.00 0.00 C +ATOM 78 C GLN A 5 -2.557 -1.659 -2.193 1.00 0.00 C +ATOM 79 O GLN A 5 -2.034 -2.749 -2.416 1.00 0.00 O +ATOM 80 CB GLN A 5 -4.064 -0.600 -3.951 1.00 0.00 C +ATOM 81 CG GLN A 5 -4.101 -1.517 -5.182 1.00 0.00 C +ATOM 82 CD GLN A 5 -5.437 -2.250 -5.294 1.00 0.00 C +ATOM 83 OE1 GLN A 5 -6.433 -1.708 -5.744 1.00 0.00 O +ATOM 84 NE2 GLN A 5 -5.519 -3.495 -4.863 1.00 0.00 N +ATOM 85 H GLN A 5 -5.062 0.244 -1.779 1.00 0.00 H +ATOM 86 HA GLN A 5 -4.475 -2.372 -2.776 1.00 0.00 H +ATOM 87 HB2 GLN A 5 -4.948 0.009 -3.946 1.00 0.00 H +ATOM 88 HB3 GLN A 5 -3.195 0.059 -4.019 1.00 0.00 H +ATOM 89 HG2 GLN A 5 -3.954 -0.923 -6.064 1.00 0.00 H +ATOM 90 HG3 GLN A 5 -3.280 -2.234 -5.138 1.00 0.00 H +ATOM 91 HE21 GLN A 5 -4.727 -3.993 -4.495 1.00 0.00 H +ATOM 92 HE22 GLN A 5 -6.432 -3.902 -4.971 1.00 0.00 H +ATOM 93 N TRP A 6 -1.937 -0.681 -1.518 1.00 0.00 N +ATOM 94 CA TRP A 6 -0.600 -0.811 -0.937 1.00 0.00 C +ATOM 95 C TRP A 6 -0.532 -1.917 0.130 1.00 0.00 C +ATOM 96 O TRP A 6 0.363 -2.764 0.091 1.00 0.00 O +ATOM 97 CB TRP A 6 -0.164 0.545 -0.369 1.00 0.00 C +ATOM 98 CG TRP A 6 1.216 0.547 0.205 1.00 0.00 C +ATOM 99 CD1 TRP A 6 2.366 0.594 -0.508 1.00 0.00 C +ATOM 100 CD2 TRP A 6 1.619 0.456 1.606 1.00 0.00 C +ATOM 101 NE1 TRP A 6 3.444 0.504 0.353 1.00 0.00 N +ATOM 102 CE2 TRP A 6 3.043 0.441 1.664 1.00 0.00 C +ATOM 103 CE3 TRP A 6 0.931 0.375 2.834 1.00 0.00 C +ATOM 104 CZ2 TRP A 6 3.753 0.369 2.869 1.00 0.00 C +ATOM 105 CZ3 TRP A 6 1.631 0.287 4.054 1.00 0.00 C +ATOM 106 CH2 TRP A 6 3.038 0.291 4.074 1.00 0.00 C +ATOM 107 H TRP A 6 -2.437 0.199 -1.406 1.00 0.00 H +ATOM 108 HA TRP A 6 0.095 -1.089 -1.730 1.00 0.00 H +ATOM 109 HB2 TRP A 6 -0.202 1.270 -1.159 1.00 0.00 H +ATOM 110 HB3 TRP A 6 -0.861 0.845 0.413 1.00 0.00 H +ATOM 111 HD1 TRP A 6 2.421 0.666 -1.584 1.00 0.00 H +ATOM 112 HE1 TRP A 6 4.427 0.496 0.079 1.00 0.00 H +ATOM 113 HE3 TRP A 6 -0.148 0.387 2.825 1.00 0.00 H +ATOM 114 HZ2 TRP A 6 4.834 0.356 2.853 1.00 0.00 H +ATOM 115 HZ3 TRP A 6 1.088 0.221 4.984 1.00 0.00 H +ATOM 116 HH2 TRP A 6 3.566 0.226 5.014 1.00 0.00 H +ATOM 117 N LEU A 7 -1.493 -1.950 1.062 1.00 0.00 N +ATOM 118 CA LEU A 7 -1.591 -3.020 2.054 1.00 0.00 C +ATOM 119 C LEU A 7 -1.887 -4.379 1.416 1.00 0.00 C +ATOM 120 O LEU A 7 -1.332 -5.379 1.867 1.00 0.00 O +ATOM 121 CB LEU A 7 -2.648 -2.680 3.119 1.00 0.00 C +ATOM 122 CG LEU A 7 -2.204 -1.596 4.116 1.00 0.00 C +ATOM 123 CD1 LEU A 7 -3.353 -1.276 5.075 1.00 0.00 C +ATOM 124 CD2 LEU A 7 -0.992 -2.019 4.955 1.00 0.00 C +ATOM 125 H LEU A 7 -2.199 -1.215 1.063 1.00 0.00 H +ATOM 126 HA LEU A 7 -0.619 -3.132 2.532 1.00 0.00 H +ATOM 127 HB2 LEU A 7 -3.533 -2.337 2.619 1.00 0.00 H +ATOM 128 HB3 LEU A 7 -2.884 -3.585 3.682 1.00 0.00 H +ATOM 129 HG LEU A 7 -1.950 -0.690 3.572 1.00 0.00 H +ATOM 130 HD11 LEU A 7 -4.247 -1.017 4.508 1.00 0.00 H +ATOM 131 HD12 LEU A 7 -3.565 -2.140 5.705 1.00 0.00 H +ATOM 132 HD13 LEU A 7 -3.079 -0.432 5.708 1.00 0.00 H +ATOM 133 HD21 LEU A 7 -1.200 -2.960 5.466 1.00 0.00 H +ATOM 134 HD22 LEU A 7 -0.115 -2.141 4.324 1.00 0.00 H +ATOM 135 HD23 LEU A 7 -0.770 -1.251 5.695 1.00 0.00 H +ATOM 136 N LYS A 8 -2.704 -4.425 0.351 1.00 0.00 N +ATOM 137 CA LYS A 8 -3.024 -5.667 -0.363 1.00 0.00 C +ATOM 138 C LYS A 8 -1.783 -6.379 -0.902 1.00 0.00 C +ATOM 139 O LYS A 8 -1.714 -7.603 -0.824 1.00 0.00 O +ATOM 140 CB LYS A 8 -4.029 -5.384 -1.498 1.00 0.00 C +ATOM 141 CG LYS A 8 -4.718 -6.666 -1.991 1.00 0.00 C +ATOM 142 CD LYS A 8 -5.727 -7.192 -0.954 1.00 0.00 C +ATOM 143 CE LYS A 8 -5.697 -8.722 -0.865 1.00 0.00 C +ATOM 144 NZ LYS A 8 -6.010 -9.184 0.509 1.00 0.00 N +ATOM 145 H LYS A 8 -3.166 -3.563 0.071 1.00 0.00 H +ATOM 146 HA LYS A 8 -3.461 -6.347 0.365 1.00 0.00 H +ATOM 147 HB2 LYS A 8 -4.778 -4.706 -1.137 1.00 0.00 H +ATOM 148 HB3 LYS A 8 -3.501 -4.924 -2.335 1.00 0.00 H +ATOM 149 HG2 LYS A 8 -5.236 -6.455 -2.907 1.00 0.00 H +ATOM 150 HG3 LYS A 8 -3.961 -7.422 -2.206 1.00 0.00 H +ATOM 151 HD2 LYS A 8 -5.484 -6.782 0.007 1.00 0.00 H +ATOM 152 HD3 LYS A 8 -6.729 -6.861 -1.233 1.00 0.00 H +ATOM 153 HE2 LYS A 8 -6.422 -9.127 -1.544 1.00 0.00 H +ATOM 154 HE3 LYS A 8 -4.703 -9.081 -1.147 1.00 0.00 H +ATOM 155 HZ1 LYS A 8 -5.172 -9.166 1.076 1.00 0.00 H +ATOM 156 HZ2 LYS A 8 -6.699 -8.578 0.933 1.00 0.00 H +ATOM 157 HZ3 LYS A 8 -6.369 -10.130 0.493 1.00 0.00 H +ATOM 158 N ASP A 9 -0.814 -5.616 -1.411 1.00 0.00 N +ATOM 159 CA ASP A 9 0.466 -6.130 -1.902 1.00 0.00 C +ATOM 160 C ASP A 9 1.395 -6.627 -0.772 1.00 0.00 C +ATOM 161 O ASP A 9 2.377 -7.317 -1.041 1.00 0.00 O +ATOM 162 CB ASP A 9 1.145 -5.018 -2.722 1.00 0.00 C +ATOM 163 CG ASP A 9 2.033 -5.572 -3.840 1.00 0.00 C +ATOM 164 OD1 ASP A 9 3.217 -5.858 -3.563 1.00 0.00 O +ATOM 165 OD2 ASP A 9 1.516 -5.670 -4.975 1.00 0.00 O +ATOM 166 H ASP A 9 -0.985 -4.619 -1.475 1.00 0.00 H +ATOM 167 HA ASP A 9 0.267 -6.973 -2.567 1.00 0.00 H +ATOM 168 HB2 ASP A 9 0.385 -4.401 -3.160 1.00 0.00 H +ATOM 169 HB3 ASP A 9 1.730 -4.377 -2.062 1.00 0.00 H +ATOM 170 N GLY A 10 1.124 -6.267 0.493 1.00 0.00 N +ATOM 171 CA GLY A 10 1.948 -6.626 1.656 1.00 0.00 C +ATOM 172 C GLY A 10 2.533 -5.439 2.437 1.00 0.00 C +ATOM 173 O GLY A 10 3.358 -5.653 3.329 1.00 0.00 O +ATOM 174 H GLY A 10 0.279 -5.730 0.656 1.00 0.00 H +ATOM 175 HA2 GLY A 10 1.331 -7.206 2.341 1.00 0.00 H +ATOM 176 HA3 GLY A 10 2.781 -7.257 1.345 1.00 0.00 H +ATOM 177 N GLY A 11 2.128 -4.200 2.126 1.00 0.00 N +ATOM 178 CA GLY A 11 2.561 -2.998 2.829 1.00 0.00 C +ATOM 179 C GLY A 11 4.092 -2.817 2.806 1.00 0.00 C +ATOM 180 O GLY A 11 4.667 -2.692 1.724 1.00 0.00 O +ATOM 181 H GLY A 11 1.538 -4.070 1.311 1.00 0.00 H +ATOM 182 HA2 GLY A 11 2.108 -2.134 2.348 1.00 0.00 H +ATOM 183 HA3 GLY A 11 2.187 -3.048 3.848 1.00 0.00 H +ATOM 184 N PRO A 12 4.785 -2.805 3.967 1.00 0.00 N +ATOM 185 CA PRO A 12 6.246 -2.706 4.011 1.00 0.00 C +ATOM 186 C PRO A 12 6.976 -3.836 3.263 1.00 0.00 C +ATOM 187 O PRO A 12 8.113 -3.645 2.838 1.00 0.00 O +ATOM 188 CB PRO A 12 6.631 -2.710 5.496 1.00 0.00 C +ATOM 189 CG PRO A 12 5.341 -2.359 6.233 1.00 0.00 C +ATOM 190 CD PRO A 12 4.243 -2.888 5.316 1.00 0.00 C +ATOM 191 HA PRO A 12 6.540 -1.751 3.570 1.00 0.00 H +ATOM 192 HB2 PRO A 12 6.984 -3.679 5.793 1.00 0.00 H +ATOM 193 HB3 PRO A 12 7.415 -1.982 5.705 1.00 0.00 H +ATOM 194 HG2 PRO A 12 5.305 -2.841 7.191 1.00 0.00 H +ATOM 195 HG3 PRO A 12 5.252 -1.274 6.318 1.00 0.00 H +ATOM 196 HD2 PRO A 12 4.007 -3.905 5.563 1.00 0.00 H +ATOM 197 HD3 PRO A 12 3.346 -2.281 5.435 1.00 0.00 H +ATOM 198 N SER A 13 6.332 -4.997 3.071 1.00 0.00 N +ATOM 199 CA SER A 13 6.911 -6.174 2.405 1.00 0.00 C +ATOM 200 C SER A 13 6.618 -6.217 0.896 1.00 0.00 C +ATOM 201 O SER A 13 6.579 -7.294 0.305 1.00 0.00 O +ATOM 202 CB SER A 13 6.458 -7.466 3.098 1.00 0.00 C +ATOM 203 OG SER A 13 6.899 -7.491 4.441 1.00 0.00 O +ATOM 204 H SER A 13 5.358 -5.057 3.358 1.00 0.00 H +ATOM 205 HA SER A 13 7.997 -6.129 2.500 1.00 0.00 H +ATOM 206 HB2 SER A 13 5.387 -7.520 3.078 1.00 0.00 H +ATOM 207 HB3 SER A 13 6.893 -8.322 2.581 1.00 0.00 H +ATOM 208 HG SER A 13 6.357 -6.887 4.951 1.00 0.00 H +ATOM 209 N SER A 14 6.432 -5.052 0.265 1.00 0.00 N +ATOM 210 CA SER A 14 6.076 -4.919 -1.157 1.00 0.00 C +ATOM 211 C SER A 14 7.132 -4.174 -1.984 1.00 0.00 C +ATOM 212 O SER A 14 6.929 -3.921 -3.169 1.00 0.00 O +ATOM 213 CB SER A 14 4.715 -4.232 -1.266 1.00 0.00 C +ATOM 214 OG SER A 14 3.775 -4.945 -0.496 1.00 0.00 O +ATOM 215 H SER A 14 6.365 -4.227 0.848 1.00 0.00 H +ATOM 216 HA SER A 14 5.970 -5.909 -1.604 1.00 0.00 H +ATOM 217 HB2 SER A 14 4.790 -3.226 -0.900 1.00 0.00 H +ATOM 218 HB3 SER A 14 4.396 -4.200 -2.306 1.00 0.00 H +ATOM 219 HG SER A 14 3.597 -5.804 -0.924 1.00 0.00 H +ATOM 220 N GLY A 15 8.259 -3.794 -1.363 1.00 0.00 N +ATOM 221 CA GLY A 15 9.337 -3.046 -2.017 1.00 0.00 C +ATOM 222 C GLY A 15 8.945 -1.615 -2.403 1.00 0.00 C +ATOM 223 O GLY A 15 9.471 -1.083 -3.379 1.00 0.00 O +ATOM 224 H GLY A 15 8.370 -4.078 -0.400 1.00 0.00 H +ATOM 225 HA2 GLY A 15 10.194 -2.991 -1.346 1.00 0.00 H +ATOM 226 HA3 GLY A 15 9.646 -3.574 -2.921 1.00 0.00 H +ATOM 227 N ARG A 16 8.005 -1.001 -1.666 1.00 0.00 N +ATOM 228 CA ARG A 16 7.468 0.335 -1.947 1.00 0.00 C +ATOM 229 C ARG A 16 6.939 1.037 -0.683 1.00 0.00 C +ATOM 230 O ARG A 16 6.297 0.382 0.141 1.00 0.00 O +ATOM 231 CB ARG A 16 6.363 0.241 -3.014 1.00 0.00 C +ATOM 232 CG ARG A 16 5.268 -0.802 -2.713 1.00 0.00 C +ATOM 233 CD ARG A 16 4.161 -0.846 -3.770 1.00 0.00 C +ATOM 234 NE ARG A 16 4.681 -1.237 -5.095 1.00 0.00 N +ATOM 235 CZ ARG A 16 5.016 -0.436 -6.099 1.00 0.00 C +ATOM 236 NH1 ARG A 16 4.910 0.871 -6.014 1.00 0.00 N +ATOM 237 NH2 ARG A 16 5.479 -0.936 -7.220 1.00 0.00 N +ATOM 238 H ARG A 16 7.638 -1.499 -0.867 1.00 0.00 H +ATOM 239 HA ARG A 16 8.282 0.927 -2.362 1.00 0.00 H +ATOM 240 HB2 ARG A 16 5.895 1.203 -3.097 1.00 0.00 H +ATOM 241 HB3 ARG A 16 6.844 -0.019 -3.959 1.00 0.00 H +ATOM 242 HG2 ARG A 16 5.727 -1.771 -2.660 1.00 0.00 H +ATOM 243 HG3 ARG A 16 4.810 -0.587 -1.750 1.00 0.00 H +ATOM 244 HD2 ARG A 16 3.418 -1.558 -3.465 1.00 0.00 H +ATOM 245 HD3 ARG A 16 3.662 0.123 -3.814 1.00 0.00 H +ATOM 246 HE ARG A 16 4.831 -2.228 -5.227 1.00 0.00 H +ATOM 247 HH11 ARG A 16 4.571 1.257 -5.151 1.00 0.00 H +ATOM 248 HH12 ARG A 16 5.171 1.470 -6.773 1.00 0.00 H +ATOM 249 HH21 ARG A 16 5.580 -1.932 -7.319 1.00 0.00 H +ATOM 250 HH22 ARG A 16 5.740 -0.329 -7.975 1.00 0.00 H +ATOM 251 N PRO A 17 7.146 2.361 -0.541 1.00 0.00 N +ATOM 252 CA PRO A 17 6.642 3.137 0.592 1.00 0.00 C +ATOM 253 C PRO A 17 5.117 3.361 0.511 1.00 0.00 C +ATOM 254 O PRO A 17 4.532 3.158 -0.557 1.00 0.00 O +ATOM 255 CB PRO A 17 7.416 4.460 0.520 1.00 0.00 C +ATOM 256 CG PRO A 17 7.671 4.652 -0.972 1.00 0.00 C +ATOM 257 CD PRO A 17 7.829 3.228 -1.493 1.00 0.00 C +ATOM 258 HA PRO A 17 6.878 2.623 1.524 1.00 0.00 H +ATOM 259 HB2 PRO A 17 6.830 5.268 0.915 1.00 0.00 H +ATOM 260 HB3 PRO A 17 8.368 4.346 1.042 1.00 0.00 H +ATOM 261 HG2 PRO A 17 6.841 5.143 -1.443 1.00 0.00 H +ATOM 262 HG3 PRO A 17 8.569 5.244 -1.152 1.00 0.00 H +ATOM 263 HD2 PRO A 17 7.382 3.137 -2.464 1.00 0.00 H +ATOM 264 HD3 PRO A 17 8.886 2.963 -1.532 1.00 0.00 H +ATOM 265 N PRO A 18 4.468 3.790 1.613 1.00 0.00 N +ATOM 266 CA PRO A 18 3.035 4.076 1.629 1.00 0.00 C +ATOM 267 C PRO A 18 2.678 5.275 0.730 1.00 0.00 C +ATOM 268 O PRO A 18 3.501 6.177 0.557 1.00 0.00 O +ATOM 269 CB PRO A 18 2.681 4.342 3.098 1.00 0.00 C +ATOM 270 CG PRO A 18 3.998 4.812 3.711 1.00 0.00 C +ATOM 271 CD PRO A 18 5.049 4.030 2.928 1.00 0.00 C +ATOM 272 HA PRO A 18 2.502 3.188 1.294 1.00 0.00 H +ATOM 273 HB2 PRO A 18 1.929 5.103 3.178 1.00 0.00 H +ATOM 274 HB3 PRO A 18 2.369 3.411 3.573 1.00 0.00 H +ATOM 275 HG2 PRO A 18 4.128 5.869 3.579 1.00 0.00 H +ATOM 276 HG3 PRO A 18 4.048 4.597 4.778 1.00 0.00 H +ATOM 277 HD2 PRO A 18 5.952 4.603 2.839 1.00 0.00 H +ATOM 278 HD3 PRO A 18 5.240 3.074 3.417 1.00 0.00 H +ATOM 279 N PRO A 19 1.456 5.312 0.158 1.00 0.00 N +ATOM 280 CA PRO A 19 1.020 6.389 -0.730 1.00 0.00 C +ATOM 281 C PRO A 19 0.573 7.658 0.014 1.00 0.00 C +ATOM 282 O PRO A 19 0.781 8.756 -0.501 1.00 0.00 O +ATOM 283 CB PRO A 19 -0.147 5.799 -1.525 1.00 0.00 C +ATOM 284 CG PRO A 19 -0.739 4.750 -0.582 1.00 0.00 C +ATOM 285 CD PRO A 19 0.461 4.252 0.217 1.00 0.00 C +ATOM 286 HA PRO A 19 1.824 6.660 -1.417 1.00 0.00 H +ATOM 287 HB2 PRO A 19 -0.871 6.555 -1.758 1.00 0.00 H +ATOM 288 HB3 PRO A 19 0.235 5.311 -2.422 1.00 0.00 H +ATOM 289 HG2 PRO A 19 -1.472 5.190 0.066 1.00 0.00 H +ATOM 290 HG3 PRO A 19 -1.196 3.933 -1.136 1.00 0.00 H +ATOM 291 HD2 PRO A 19 0.178 4.064 1.235 1.00 0.00 H +ATOM 292 HD3 PRO A 19 0.863 3.356 -0.255 1.00 0.00 H +ATOM 293 N SER A 20 -0.071 7.506 1.180 1.00 0.00 N +ATOM 294 CA SER A 20 -0.495 8.598 2.070 1.00 0.00 C +ATOM 295 C SER A 20 0.609 8.944 3.064 1.00 0.00 C +ATOM 296 O SER A 20 0.894 10.155 3.181 1.00 0.00 O +ATOM 297 CB SER A 20 -1.736 8.215 2.879 1.00 0.00 C +ATOM 298 OG SER A 20 -2.830 7.879 2.044 1.00 0.00 O +ATOM 299 OXT SER A 20 1.084 7.996 3.730 1.00 0.00 O +ATOM 300 H SER A 20 -0.157 6.569 1.538 1.00 0.00 H +ATOM 301 HA SER A 20 -0.699 9.493 1.486 1.00 0.00 H +ATOM 302 HB2 SER A 20 -1.500 7.370 3.497 1.00 0.00 H +ATOM 303 HB3 SER A 20 -2.011 9.052 3.523 1.00 0.00 H +ATOM 304 HG SER A 20 -3.169 8.700 1.678 1.00 0.00 H +TER 305 SER A 20 +ENDMDL +MODEL 23 +ATOM 1 N ASN A 1 -8.995 5.512 -1.807 1.00 0.00 N +ATOM 2 CA ASN A 1 -8.139 5.500 -0.596 1.00 0.00 C +ATOM 3 C ASN A 1 -6.657 5.213 -0.847 1.00 0.00 C +ATOM 4 O ASN A 1 -5.857 5.704 -0.062 1.00 0.00 O +ATOM 5 CB ASN A 1 -8.684 4.564 0.498 1.00 0.00 C +ATOM 6 CG ASN A 1 -9.123 5.373 1.709 1.00 0.00 C +ATOM 7 OD1 ASN A 1 -10.305 5.507 1.971 1.00 0.00 O +ATOM 8 ND2 ASN A 1 -8.201 5.977 2.436 1.00 0.00 N +ATOM 9 H1 ASN A 1 -8.610 6.132 -2.507 1.00 0.00 H +ATOM 10 H2 ASN A 1 -9.086 4.582 -2.189 1.00 0.00 H +ATOM 11 H3 ASN A 1 -9.920 5.841 -1.561 1.00 0.00 H +ATOM 12 HA ASN A 1 -8.157 6.511 -0.184 1.00 0.00 H +ATOM 13 HB2 ASN A 1 -9.524 4.019 0.112 1.00 0.00 H +ATOM 14 HB3 ASN A 1 -7.920 3.855 0.818 1.00 0.00 H +ATOM 15 HD21 ASN A 1 -7.210 5.924 2.252 1.00 0.00 H +ATOM 16 HD22 ASN A 1 -8.568 6.492 3.222 1.00 0.00 H +ATOM 17 N LEU A 2 -6.287 4.419 -1.870 1.00 0.00 N +ATOM 18 CA LEU A 2 -4.918 3.992 -2.233 1.00 0.00 C +ATOM 19 C LEU A 2 -4.198 3.117 -1.189 1.00 0.00 C +ATOM 20 O LEU A 2 -3.649 2.074 -1.544 1.00 0.00 O +ATOM 21 CB LEU A 2 -4.033 5.181 -2.661 1.00 0.00 C +ATOM 22 CG LEU A 2 -4.577 5.992 -3.859 1.00 0.00 C +ATOM 23 CD1 LEU A 2 -5.182 7.328 -3.410 1.00 0.00 C +ATOM 24 CD2 LEU A 2 -3.464 6.283 -4.867 1.00 0.00 C +ATOM 25 H LEU A 2 -6.993 4.011 -2.461 1.00 0.00 H +ATOM 26 HA LEU A 2 -5.014 3.355 -3.115 1.00 0.00 H +ATOM 27 HB2 LEU A 2 -3.937 5.845 -1.824 1.00 0.00 H +ATOM 28 HB3 LEU A 2 -3.061 4.766 -2.935 1.00 0.00 H +ATOM 29 HG LEU A 2 -5.348 5.414 -4.371 1.00 0.00 H +ATOM 30 HD11 LEU A 2 -6.031 7.162 -2.754 1.00 0.00 H +ATOM 31 HD12 LEU A 2 -4.432 7.916 -2.879 1.00 0.00 H +ATOM 32 HD13 LEU A 2 -5.517 7.893 -4.282 1.00 0.00 H +ATOM 33 HD21 LEU A 2 -2.669 6.860 -4.395 1.00 0.00 H +ATOM 34 HD22 LEU A 2 -3.056 5.346 -5.245 1.00 0.00 H +ATOM 35 HD23 LEU A 2 -3.867 6.848 -5.709 1.00 0.00 H +ATOM 36 N TYR A 3 -4.220 3.498 0.091 1.00 0.00 N +ATOM 37 CA TYR A 3 -3.550 2.790 1.185 1.00 0.00 C +ATOM 38 C TYR A 3 -3.980 1.315 1.283 1.00 0.00 C +ATOM 39 O TYR A 3 -3.150 0.440 1.515 1.00 0.00 O +ATOM 40 CB TYR A 3 -3.809 3.544 2.496 1.00 0.00 C +ATOM 41 CG TYR A 3 -2.752 3.301 3.554 1.00 0.00 C +ATOM 42 CD1 TYR A 3 -2.869 2.215 4.443 1.00 0.00 C +ATOM 43 CD2 TYR A 3 -1.653 4.178 3.655 1.00 0.00 C +ATOM 44 CE1 TYR A 3 -1.899 2.018 5.443 1.00 0.00 C +ATOM 45 CE2 TYR A 3 -0.683 3.985 4.655 1.00 0.00 C +ATOM 46 CZ TYR A 3 -0.812 2.911 5.561 1.00 0.00 C +ATOM 47 OH TYR A 3 0.085 2.742 6.568 1.00 0.00 O +ATOM 48 H TYR A 3 -4.660 4.395 0.286 1.00 0.00 H +ATOM 49 HA TYR A 3 -2.478 2.809 0.991 1.00 0.00 H +ATOM 50 HB2 TYR A 3 -3.840 4.595 2.283 1.00 0.00 H +ATOM 51 HB3 TYR A 3 -4.790 3.270 2.890 1.00 0.00 H +ATOM 52 HD1 TYR A 3 -3.710 1.538 4.369 1.00 0.00 H +ATOM 53 HD2 TYR A 3 -1.555 5.018 2.982 1.00 0.00 H +ATOM 54 HE1 TYR A 3 -1.977 1.210 6.151 1.00 0.00 H +ATOM 55 HE2 TYR A 3 0.149 4.672 4.736 1.00 0.00 H +ATOM 56 HH TYR A 3 0.563 3.552 6.750 1.00 0.00 H +ATOM 57 N ILE A 4 -5.264 1.030 1.024 1.00 0.00 N +ATOM 58 CA ILE A 4 -5.827 -0.326 0.952 1.00 0.00 C +ATOM 59 C ILE A 4 -5.114 -1.151 -0.131 1.00 0.00 C +ATOM 60 O ILE A 4 -4.658 -2.257 0.147 1.00 0.00 O +ATOM 61 CB ILE A 4 -7.356 -0.272 0.705 1.00 0.00 C +ATOM 62 CG1 ILE A 4 -8.110 0.581 1.757 1.00 0.00 C +ATOM 63 CG2 ILE A 4 -7.947 -1.695 0.687 1.00 0.00 C +ATOM 64 CD1 ILE A 4 -9.451 1.106 1.228 1.00 0.00 C +ATOM 65 H ILE A 4 -5.870 1.816 0.855 1.00 0.00 H +ATOM 66 HA ILE A 4 -5.652 -0.820 1.909 1.00 0.00 H +ATOM 67 HB ILE A 4 -7.515 0.178 -0.278 1.00 0.00 H +ATOM 68 HG12 ILE A 4 -8.294 -0.024 2.624 1.00 0.00 H +ATOM 69 HG13 ILE A 4 -7.523 1.453 2.040 1.00 0.00 H +ATOM 70 HG21 ILE A 4 -7.530 -2.276 -0.135 1.00 0.00 H +ATOM 71 HG22 ILE A 4 -7.726 -2.202 1.628 1.00 0.00 H +ATOM 72 HG23 ILE A 4 -9.028 -1.659 0.555 1.00 0.00 H +ATOM 73 HD11 ILE A 4 -9.295 1.636 0.288 1.00 0.00 H +ATOM 74 HD12 ILE A 4 -10.147 0.285 1.062 1.00 0.00 H +ATOM 75 HD13 ILE A 4 -9.883 1.794 1.955 1.00 0.00 H +ATOM 76 N GLN A 5 -4.980 -0.613 -1.354 1.00 0.00 N +ATOM 77 CA GLN A 5 -4.248 -1.254 -2.452 1.00 0.00 C +ATOM 78 C GLN A 5 -2.764 -1.451 -2.115 1.00 0.00 C +ATOM 79 O GLN A 5 -2.210 -2.510 -2.406 1.00 0.00 O +ATOM 80 CB GLN A 5 -4.397 -0.444 -3.752 1.00 0.00 C +ATOM 81 CG GLN A 5 -5.780 -0.585 -4.421 1.00 0.00 C +ATOM 82 CD GLN A 5 -5.677 -1.049 -5.874 1.00 0.00 C +ATOM 83 OE1 GLN A 5 -4.908 -0.532 -6.667 1.00 0.00 O +ATOM 84 NE2 GLN A 5 -6.453 -2.034 -6.287 1.00 0.00 N +ATOM 85 H GLN A 5 -5.284 0.340 -1.486 1.00 0.00 H +ATOM 86 HA GLN A 5 -4.665 -2.247 -2.623 1.00 0.00 H +ATOM 87 HB2 GLN A 5 -4.235 0.592 -3.525 1.00 0.00 H +ATOM 88 HB3 GLN A 5 -3.627 -0.786 -4.446 1.00 0.00 H +ATOM 89 HG2 GLN A 5 -6.358 -1.301 -3.870 1.00 0.00 H +ATOM 90 HG3 GLN A 5 -6.280 0.383 -4.410 1.00 0.00 H +ATOM 91 HE21 GLN A 5 -7.135 -2.486 -5.703 1.00 0.00 H +ATOM 92 HE22 GLN A 5 -6.309 -2.278 -7.253 1.00 0.00 H +ATOM 93 N TRP A 6 -2.122 -0.471 -1.467 1.00 0.00 N +ATOM 94 CA TRP A 6 -0.752 -0.626 -0.970 1.00 0.00 C +ATOM 95 C TRP A 6 -0.626 -1.773 0.051 1.00 0.00 C +ATOM 96 O TRP A 6 0.275 -2.606 -0.073 1.00 0.00 O +ATOM 97 CB TRP A 6 -0.246 0.708 -0.409 1.00 0.00 C +ATOM 98 CG TRP A 6 1.122 0.638 0.187 1.00 0.00 C +ATOM 99 CD1 TRP A 6 2.283 0.580 -0.505 1.00 0.00 C +ATOM 100 CD2 TRP A 6 1.498 0.590 1.599 1.00 0.00 C +ATOM 101 NE1 TRP A 6 3.337 0.446 0.374 1.00 0.00 N +ATOM 102 CE2 TRP A 6 2.919 0.485 1.681 1.00 0.00 C +ATOM 103 CE3 TRP A 6 0.791 0.638 2.820 1.00 0.00 C +ATOM 104 CZ2 TRP A 6 3.609 0.442 2.898 1.00 0.00 C +ATOM 105 CZ3 TRP A 6 1.472 0.592 4.050 1.00 0.00 C +ATOM 106 CH2 TRP A 6 2.875 0.504 4.093 1.00 0.00 C +ATOM 107 H TRP A 6 -2.627 0.394 -1.292 1.00 0.00 H +ATOM 108 HA TRP A 6 -0.116 -0.900 -1.810 1.00 0.00 H +ATOM 109 HB2 TRP A 6 -0.230 1.425 -1.207 1.00 0.00 H +ATOM 110 HB3 TRP A 6 -0.932 1.060 0.358 1.00 0.00 H +ATOM 111 HD1 TRP A 6 2.377 0.619 -1.579 1.00 0.00 H +ATOM 112 HE1 TRP A 6 4.319 0.364 0.099 1.00 0.00 H +ATOM 113 HE3 TRP A 6 -0.286 0.722 2.803 1.00 0.00 H +ATOM 114 HZ2 TRP A 6 4.686 0.366 2.903 1.00 0.00 H +ATOM 115 HZ3 TRP A 6 0.916 0.637 4.976 1.00 0.00 H +ATOM 116 HH2 TRP A 6 3.385 0.485 5.046 1.00 0.00 H +ATOM 117 N LEU A 7 -1.546 -1.866 1.019 1.00 0.00 N +ATOM 118 CA LEU A 7 -1.600 -2.993 1.954 1.00 0.00 C +ATOM 119 C LEU A 7 -1.891 -4.331 1.257 1.00 0.00 C +ATOM 120 O LEU A 7 -1.258 -5.322 1.617 1.00 0.00 O +ATOM 121 CB LEU A 7 -2.629 -2.736 3.069 1.00 0.00 C +ATOM 122 CG LEU A 7 -2.255 -1.624 4.066 1.00 0.00 C +ATOM 123 CD1 LEU A 7 -3.410 -1.464 5.059 1.00 0.00 C +ATOM 124 CD2 LEU A 7 -0.975 -1.930 4.852 1.00 0.00 C +ATOM 125 H LEU A 7 -2.238 -1.124 1.101 1.00 0.00 H +ATOM 126 HA LEU A 7 -0.616 -3.103 2.408 1.00 0.00 H +ATOM 127 HB2 LEU A 7 -3.559 -2.467 2.606 1.00 0.00 H +ATOM 128 HB3 LEU A 7 -2.758 -3.662 3.632 1.00 0.00 H +ATOM 129 HG LEU A 7 -2.117 -0.684 3.539 1.00 0.00 H +ATOM 130 HD11 LEU A 7 -4.330 -1.232 4.522 1.00 0.00 H +ATOM 131 HD12 LEU A 7 -3.546 -2.384 5.627 1.00 0.00 H +ATOM 132 HD13 LEU A 7 -3.198 -0.653 5.753 1.00 0.00 H +ATOM 133 HD21 LEU A 7 -1.059 -2.897 5.349 1.00 0.00 H +ATOM 134 HD22 LEU A 7 -0.117 -1.940 4.182 1.00 0.00 H +ATOM 135 HD23 LEU A 7 -0.809 -1.154 5.600 1.00 0.00 H +ATOM 136 N LYS A 8 -2.780 -4.375 0.246 1.00 0.00 N +ATOM 137 CA LYS A 8 -3.068 -5.596 -0.534 1.00 0.00 C +ATOM 138 C LYS A 8 -1.816 -6.219 -1.151 1.00 0.00 C +ATOM 139 O LYS A 8 -1.740 -7.439 -1.237 1.00 0.00 O +ATOM 140 CB LYS A 8 -4.081 -5.335 -1.662 1.00 0.00 C +ATOM 141 CG LYS A 8 -5.498 -4.986 -1.175 1.00 0.00 C +ATOM 142 CD LYS A 8 -6.576 -5.917 -1.747 1.00 0.00 C +ATOM 143 CE LYS A 8 -6.443 -7.334 -1.176 1.00 0.00 C +ATOM 144 NZ LYS A 8 -7.563 -8.199 -1.611 1.00 0.00 N +ATOM 145 H LYS A 8 -3.304 -3.525 0.051 1.00 0.00 H +ATOM 146 HA LYS A 8 -3.475 -6.350 0.141 1.00 0.00 H +ATOM 147 HB2 LYS A 8 -3.719 -4.518 -2.256 1.00 0.00 H +ATOM 148 HB3 LYS A 8 -4.124 -6.228 -2.289 1.00 0.00 H +ATOM 149 HG2 LYS A 8 -5.519 -5.056 -0.105 1.00 0.00 H +ATOM 150 HG3 LYS A 8 -5.730 -3.973 -1.499 1.00 0.00 H +ATOM 151 HD2 LYS A 8 -7.544 -5.528 -1.496 1.00 0.00 H +ATOM 152 HD3 LYS A 8 -6.493 -5.943 -2.836 1.00 0.00 H +ATOM 153 HE2 LYS A 8 -5.519 -7.762 -1.515 1.00 0.00 H +ATOM 154 HE3 LYS A 8 -6.423 -7.269 -0.084 1.00 0.00 H +ATOM 155 HZ1 LYS A 8 -8.442 -7.832 -1.266 1.00 0.00 H +ATOM 156 HZ2 LYS A 8 -7.603 -8.242 -2.621 1.00 0.00 H +ATOM 157 HZ3 LYS A 8 -7.442 -9.138 -1.253 1.00 0.00 H +ATOM 158 N ASP A 9 -0.849 -5.393 -1.556 1.00 0.00 N +ATOM 159 CA ASP A 9 0.436 -5.853 -2.083 1.00 0.00 C +ATOM 160 C ASP A 9 1.332 -6.506 -1.009 1.00 0.00 C +ATOM 161 O ASP A 9 2.223 -7.275 -1.345 1.00 0.00 O +ATOM 162 CB ASP A 9 1.145 -4.662 -2.744 1.00 0.00 C +ATOM 163 CG ASP A 9 2.097 -5.123 -3.846 1.00 0.00 C +ATOM 164 OD1 ASP A 9 3.259 -5.441 -3.507 1.00 0.00 O +ATOM 165 OD2 ASP A 9 1.661 -5.116 -5.015 1.00 0.00 O +ATOM 166 H ASP A 9 -1.027 -4.396 -1.508 1.00 0.00 H +ATOM 167 HA ASP A 9 0.243 -6.603 -2.852 1.00 0.00 H +ATOM 168 HB2 ASP A 9 0.408 -4.009 -3.170 1.00 0.00 H +ATOM 169 HB3 ASP A 9 1.699 -4.094 -1.991 1.00 0.00 H +ATOM 170 N GLY A 10 1.085 -6.233 0.280 1.00 0.00 N +ATOM 171 CA GLY A 10 1.935 -6.630 1.406 1.00 0.00 C +ATOM 172 C GLY A 10 2.538 -5.448 2.178 1.00 0.00 C +ATOM 173 O GLY A 10 3.381 -5.658 3.052 1.00 0.00 O +ATOM 174 H GLY A 10 0.224 -5.740 0.500 1.00 0.00 H +ATOM 175 HA2 GLY A 10 1.338 -7.217 2.103 1.00 0.00 H +ATOM 176 HA3 GLY A 10 2.755 -7.257 1.056 1.00 0.00 H +ATOM 177 N GLY A 11 2.139 -4.205 1.865 1.00 0.00 N +ATOM 178 CA GLY A 11 2.660 -3.003 2.510 1.00 0.00 C +ATOM 179 C GLY A 11 4.193 -2.919 2.402 1.00 0.00 C +ATOM 180 O GLY A 11 4.722 -3.051 1.294 1.00 0.00 O +ATOM 181 H GLY A 11 1.481 -4.078 1.104 1.00 0.00 H +ATOM 182 HA2 GLY A 11 2.230 -2.129 2.025 1.00 0.00 H +ATOM 183 HA3 GLY A 11 2.339 -3.009 3.550 1.00 0.00 H +ATOM 184 N PRO A 12 4.936 -2.732 3.516 1.00 0.00 N +ATOM 185 CA PRO A 12 6.401 -2.697 3.498 1.00 0.00 C +ATOM 186 C PRO A 12 7.057 -3.980 2.962 1.00 0.00 C +ATOM 187 O PRO A 12 8.194 -3.921 2.498 1.00 0.00 O +ATOM 188 CB PRO A 12 6.843 -2.444 4.945 1.00 0.00 C +ATOM 189 CG PRO A 12 5.600 -1.887 5.633 1.00 0.00 C +ATOM 190 CD PRO A 12 4.459 -2.571 4.884 1.00 0.00 C +ATOM 191 HA PRO A 12 6.718 -1.858 2.877 1.00 0.00 H +ATOM 192 HB2 PRO A 12 7.157 -3.358 5.411 1.00 0.00 H +ATOM 193 HB3 PRO A 12 7.673 -1.736 4.990 1.00 0.00 H +ATOM 194 HG2 PRO A 12 5.587 -2.145 6.675 1.00 0.00 H +ATOM 195 HG3 PRO A 12 5.548 -0.809 5.478 1.00 0.00 H +ATOM 196 HD2 PRO A 12 4.243 -3.527 5.321 1.00 0.00 H +ATOM 197 HD3 PRO A 12 3.561 -1.958 4.940 1.00 0.00 H +ATOM 198 N SER A 13 6.364 -5.132 2.996 1.00 0.00 N +ATOM 199 CA SER A 13 6.922 -6.427 2.577 1.00 0.00 C +ATOM 200 C SER A 13 7.348 -6.452 1.106 1.00 0.00 C +ATOM 201 O SER A 13 8.273 -7.185 0.760 1.00 0.00 O +ATOM 202 CB SER A 13 5.902 -7.544 2.812 1.00 0.00 C +ATOM 203 OG SER A 13 6.513 -8.805 2.628 1.00 0.00 O +ATOM 204 H SER A 13 5.404 -5.115 3.326 1.00 0.00 H +ATOM 205 HA SER A 13 7.802 -6.636 3.185 1.00 0.00 H +ATOM 206 HB2 SER A 13 5.525 -7.475 3.814 1.00 0.00 H +ATOM 207 HB3 SER A 13 5.073 -7.436 2.110 1.00 0.00 H +ATOM 208 HG SER A 13 6.978 -8.809 1.779 1.00 0.00 H +ATOM 209 N SER A 14 6.688 -5.663 0.253 1.00 0.00 N +ATOM 210 CA SER A 14 7.033 -5.491 -1.164 1.00 0.00 C +ATOM 211 C SER A 14 8.036 -4.355 -1.407 1.00 0.00 C +ATOM 212 O SER A 14 8.270 -3.979 -2.556 1.00 0.00 O +ATOM 213 CB SER A 14 5.763 -5.217 -1.973 1.00 0.00 C +ATOM 214 OG SER A 14 4.936 -6.345 -2.040 1.00 0.00 O +ATOM 215 H SER A 14 5.903 -5.135 0.612 1.00 0.00 H +ATOM 216 HA SER A 14 7.475 -6.413 -1.545 1.00 0.00 H +ATOM 217 HB2 SER A 14 5.221 -4.416 -1.508 1.00 0.00 H +ATOM 218 HB3 SER A 14 6.026 -4.948 -2.995 1.00 0.00 H +ATOM 219 HG SER A 14 4.164 -6.059 -2.655 1.00 0.00 H +ATOM 220 N GLY A 15 8.590 -3.733 -0.358 1.00 0.00 N +ATOM 221 CA GLY A 15 9.577 -2.650 -0.433 1.00 0.00 C +ATOM 222 C GLY A 15 9.029 -1.291 -0.893 1.00 0.00 C +ATOM 223 O GLY A 15 9.565 -0.255 -0.498 1.00 0.00 O +ATOM 224 H GLY A 15 8.346 -4.054 0.578 1.00 0.00 H +ATOM 225 HA2 GLY A 15 10.022 -2.519 0.554 1.00 0.00 H +ATOM 226 HA3 GLY A 15 10.370 -2.944 -1.121 1.00 0.00 H +ATOM 227 N ARG A 16 7.961 -1.275 -1.702 1.00 0.00 N +ATOM 228 CA ARG A 16 7.253 -0.068 -2.152 1.00 0.00 C +ATOM 229 C ARG A 16 6.758 0.782 -0.961 1.00 0.00 C +ATOM 230 O ARG A 16 6.062 0.249 -0.094 1.00 0.00 O +ATOM 231 CB ARG A 16 6.114 -0.429 -3.128 1.00 0.00 C +ATOM 232 CG ARG A 16 5.073 -1.437 -2.599 1.00 0.00 C +ATOM 233 CD ARG A 16 4.058 -1.882 -3.667 1.00 0.00 C +ATOM 234 NE ARG A 16 2.925 -0.944 -3.816 1.00 0.00 N +ATOM 235 CZ ARG A 16 2.827 0.118 -4.610 1.00 0.00 C +ATOM 236 NH1 ARG A 16 3.797 0.480 -5.418 1.00 0.00 N +ATOM 237 NH2 ARG A 16 1.736 0.848 -4.603 1.00 0.00 N +ATOM 238 H ARG A 16 7.673 -2.184 -2.046 1.00 0.00 H +ATOM 239 HA ARG A 16 7.981 0.515 -2.712 1.00 0.00 H +ATOM 240 HB2 ARG A 16 5.597 0.477 -3.381 1.00 0.00 H +ATOM 241 HB3 ARG A 16 6.567 -0.849 -4.028 1.00 0.00 H +ATOM 242 HG2 ARG A 16 5.592 -2.305 -2.239 1.00 0.00 H +ATOM 243 HG3 ARG A 16 4.537 -1.022 -1.749 1.00 0.00 H +ATOM 244 HD2 ARG A 16 4.565 -1.958 -4.610 1.00 0.00 H +ATOM 245 HD3 ARG A 16 3.649 -2.842 -3.350 1.00 0.00 H +ATOM 246 HE ARG A 16 2.106 -1.187 -3.286 1.00 0.00 H +ATOM 247 HH11 ARG A 16 4.617 -0.096 -5.446 1.00 0.00 H +ATOM 248 HH12 ARG A 16 3.713 1.284 -6.011 1.00 0.00 H +ATOM 249 HH21 ARG A 16 0.947 0.584 -4.042 1.00 0.00 H +ATOM 250 HH22 ARG A 16 1.678 1.660 -5.191 1.00 0.00 H +ATOM 251 N PRO A 17 7.067 2.094 -0.905 1.00 0.00 N +ATOM 252 CA PRO A 17 6.620 2.967 0.182 1.00 0.00 C +ATOM 253 C PRO A 17 5.099 3.227 0.122 1.00 0.00 C +ATOM 254 O PRO A 17 4.486 3.009 -0.928 1.00 0.00 O +ATOM 255 CB PRO A 17 7.427 4.260 0.005 1.00 0.00 C +ATOM 256 CG PRO A 17 7.667 4.322 -1.501 1.00 0.00 C +ATOM 257 CD PRO A 17 7.835 2.854 -1.882 1.00 0.00 C +ATOM 258 HA PRO A 17 6.870 2.512 1.140 1.00 0.00 H +ATOM 259 HB2 PRO A 17 6.867 5.112 0.340 1.00 0.00 H +ATOM 260 HB3 PRO A 17 8.385 4.162 0.519 1.00 0.00 H +ATOM 261 HG2 PRO A 17 6.828 4.758 -2.008 1.00 0.00 H +ATOM 262 HG3 PRO A 17 8.552 4.908 -1.749 1.00 0.00 H +ATOM 263 HD2 PRO A 17 7.456 2.680 -2.871 1.00 0.00 H +ATOM 264 HD3 PRO A 17 8.888 2.571 -1.812 1.00 0.00 H +ATOM 265 N PRO A 18 4.480 3.698 1.223 1.00 0.00 N +ATOM 266 CA PRO A 18 3.051 4.007 1.257 1.00 0.00 C +ATOM 267 C PRO A 18 2.699 5.236 0.396 1.00 0.00 C +ATOM 268 O PRO A 18 3.570 6.059 0.111 1.00 0.00 O +ATOM 269 CB PRO A 18 2.722 4.232 2.738 1.00 0.00 C +ATOM 270 CG PRO A 18 4.041 4.721 3.329 1.00 0.00 C +ATOM 271 CD PRO A 18 5.086 3.950 2.524 1.00 0.00 C +ATOM 272 HA PRO A 18 2.496 3.146 0.892 1.00 0.00 H +ATOM 273 HB2 PRO A 18 1.954 4.972 2.852 1.00 0.00 H +ATOM 274 HB3 PRO A 18 2.449 3.284 3.200 1.00 0.00 H +ATOM 275 HG2 PRO A 18 4.155 5.779 3.195 1.00 0.00 H +ATOM 276 HG3 PRO A 18 4.113 4.505 4.395 1.00 0.00 H +ATOM 277 HD2 PRO A 18 5.979 4.535 2.413 1.00 0.00 H +ATOM 278 HD3 PRO A 18 5.300 2.999 3.013 1.00 0.00 H +ATOM 279 N PRO A 19 1.420 5.393 -0.004 1.00 0.00 N +ATOM 280 CA PRO A 19 0.957 6.533 -0.802 1.00 0.00 C +ATOM 281 C PRO A 19 0.749 7.823 0.014 1.00 0.00 C +ATOM 282 O PRO A 19 0.677 8.899 -0.575 1.00 0.00 O +ATOM 283 CB PRO A 19 -0.367 6.064 -1.415 1.00 0.00 C +ATOM 284 CG PRO A 19 -0.913 5.086 -0.375 1.00 0.00 C +ATOM 285 CD PRO A 19 0.348 4.422 0.169 1.00 0.00 C +ATOM 286 HA PRO A 19 1.669 6.748 -1.599 1.00 0.00 H +ATOM 287 HB2 PRO A 19 -1.038 6.889 -1.556 1.00 0.00 H +ATOM 288 HB3 PRO A 19 -0.164 5.530 -2.346 1.00 0.00 H +ATOM 289 HG2 PRO A 19 -1.441 5.605 0.402 1.00 0.00 H +ATOM 290 HG3 PRO A 19 -1.584 4.357 -0.825 1.00 0.00 H +ATOM 291 HD2 PRO A 19 0.225 4.183 1.208 1.00 0.00 H +ATOM 292 HD3 PRO A 19 0.576 3.535 -0.421 1.00 0.00 H +ATOM 293 N SER A 20 0.622 7.704 1.342 1.00 0.00 N +ATOM 294 CA SER A 20 0.537 8.783 2.335 1.00 0.00 C +ATOM 295 C SER A 20 1.931 9.218 2.798 1.00 0.00 C +ATOM 296 O SER A 20 2.563 8.335 3.437 1.00 0.00 O +ATOM 297 CB SER A 20 -0.247 8.262 3.545 1.00 0.00 C +ATOM 298 OG SER A 20 0.531 7.207 4.069 1.00 0.00 O +ATOM 299 OXT SER A 20 2.277 10.398 2.599 1.00 0.00 O +ATOM 300 H SER A 20 0.701 6.779 1.733 1.00 0.00 H +ATOM 301 HA SER A 20 0.039 9.654 1.908 1.00 0.00 H +ATOM 302 HB2 SER A 20 -0.369 9.038 4.276 1.00 0.00 H +ATOM 303 HB3 SER A 20 -1.237 7.911 3.252 1.00 0.00 H +ATOM 304 HG SER A 20 1.480 7.561 3.895 1.00 0.00 H +TER 305 SER A 20 +ENDMDL +MODEL 24 +ATOM 1 N ASN A 1 -6.292 7.385 1.128 1.00 0.00 N +ATOM 2 CA ASN A 1 -7.232 6.863 0.107 1.00 0.00 C +ATOM 3 C ASN A 1 -6.739 5.538 -0.485 1.00 0.00 C +ATOM 4 O ASN A 1 -7.431 4.543 -0.336 1.00 0.00 O +ATOM 5 CB ASN A 1 -7.545 7.923 -0.975 1.00 0.00 C +ATOM 6 CG ASN A 1 -6.313 8.297 -1.796 1.00 0.00 C +ATOM 7 OD1 ASN A 1 -5.208 8.306 -1.270 1.00 0.00 O +ATOM 8 ND2 ASN A 1 -6.440 8.526 -3.087 1.00 0.00 N +ATOM 9 H1 ASN A 1 -6.040 6.659 1.782 1.00 0.00 H +ATOM 10 H2 ASN A 1 -5.460 7.735 0.662 1.00 0.00 H +ATOM 11 H3 ASN A 1 -6.719 8.150 1.634 1.00 0.00 H +ATOM 12 HA ASN A 1 -8.173 6.624 0.607 1.00 0.00 H +ATOM 13 HB2 ASN A 1 -8.294 7.530 -1.636 1.00 0.00 H +ATOM 14 HB3 ASN A 1 -7.929 8.825 -0.499 1.00 0.00 H +ATOM 15 HD21 ASN A 1 -7.324 8.491 -3.570 1.00 0.00 H +ATOM 16 HD22 ASN A 1 -5.584 8.752 -3.571 1.00 0.00 H +ATOM 17 N LEU A 2 -5.556 5.496 -1.115 1.00 0.00 N +ATOM 18 CA LEU A 2 -5.032 4.330 -1.843 1.00 0.00 C +ATOM 19 C LEU A 2 -4.313 3.290 -0.955 1.00 0.00 C +ATOM 20 O LEU A 2 -3.853 2.259 -1.446 1.00 0.00 O +ATOM 21 CB LEU A 2 -4.138 4.841 -3.003 1.00 0.00 C +ATOM 22 CG LEU A 2 -4.722 4.651 -4.418 1.00 0.00 C +ATOM 23 CD1 LEU A 2 -4.894 3.173 -4.766 1.00 0.00 C +ATOM 24 CD2 LEU A 2 -6.050 5.386 -4.636 1.00 0.00 C +ATOM 25 H LEU A 2 -5.044 6.368 -1.237 1.00 0.00 H +ATOM 26 HA LEU A 2 -5.880 3.796 -2.268 1.00 0.00 H +ATOM 27 HB2 LEU A 2 -3.967 5.890 -2.853 1.00 0.00 H +ATOM 28 HB3 LEU A 2 -3.179 4.327 -2.975 1.00 0.00 H +ATOM 29 HG LEU A 2 -4.002 5.061 -5.126 1.00 0.00 H +ATOM 30 HD11 LEU A 2 -3.966 2.642 -4.555 1.00 0.00 H +ATOM 31 HD12 LEU A 2 -5.713 2.736 -4.196 1.00 0.00 H +ATOM 32 HD13 LEU A 2 -5.117 3.069 -5.827 1.00 0.00 H +ATOM 33 HD21 LEU A 2 -6.733 5.221 -3.804 1.00 0.00 H +ATOM 34 HD22 LEU A 2 -5.855 6.450 -4.745 1.00 0.00 H +ATOM 35 HD23 LEU A 2 -6.526 5.028 -5.550 1.00 0.00 H +ATOM 36 N TYR A 3 -4.243 3.530 0.360 1.00 0.00 N +ATOM 37 CA TYR A 3 -3.536 2.698 1.337 1.00 0.00 C +ATOM 38 C TYR A 3 -3.999 1.230 1.340 1.00 0.00 C +ATOM 39 O TYR A 3 -3.180 0.335 1.524 1.00 0.00 O +ATOM 40 CB TYR A 3 -3.688 3.329 2.730 1.00 0.00 C +ATOM 41 CG TYR A 3 -2.527 3.057 3.667 1.00 0.00 C +ATOM 42 CD1 TYR A 3 -2.504 1.888 4.455 1.00 0.00 C +ATOM 43 CD2 TYR A 3 -1.478 3.993 3.769 1.00 0.00 C +ATOM 44 CE1 TYR A 3 -1.449 1.665 5.360 1.00 0.00 C +ATOM 45 CE2 TYR A 3 -0.422 3.773 4.671 1.00 0.00 C +ATOM 46 CZ TYR A 3 -0.410 2.617 5.478 1.00 0.00 C +ATOM 47 OH TYR A 3 0.592 2.435 6.380 1.00 0.00 O +ATOM 48 H TYR A 3 -4.647 4.393 0.678 1.00 0.00 H +ATOM 49 HA TYR A 3 -2.476 2.708 1.078 1.00 0.00 H +ATOM 50 HB2 TYR A 3 -3.781 4.391 2.610 1.00 0.00 H +ATOM 51 HB3 TYR A 3 -4.613 2.981 3.190 1.00 0.00 H +ATOM 52 HD1 TYR A 3 -3.302 1.165 4.368 1.00 0.00 H +ATOM 53 HD2 TYR A 3 -1.485 4.893 3.169 1.00 0.00 H +ATOM 54 HE1 TYR A 3 -1.435 0.773 5.967 1.00 0.00 H +ATOM 55 HE2 TYR A 3 0.377 4.493 4.774 1.00 0.00 H +ATOM 56 HH TYR A 3 0.371 1.780 7.044 1.00 0.00 H +ATOM 57 N ILE A 4 -5.291 0.971 1.083 1.00 0.00 N +ATOM 58 CA ILE A 4 -5.855 -0.385 0.970 1.00 0.00 C +ATOM 59 C ILE A 4 -5.185 -1.167 -0.172 1.00 0.00 C +ATOM 60 O ILE A 4 -4.825 -2.331 0.000 1.00 0.00 O +ATOM 61 CB ILE A 4 -7.390 -0.331 0.775 1.00 0.00 C +ATOM 62 CG1 ILE A 4 -8.107 0.494 1.877 1.00 0.00 C +ATOM 63 CG2 ILE A 4 -7.991 -1.748 0.746 1.00 0.00 C +ATOM 64 CD1 ILE A 4 -8.694 1.795 1.319 1.00 0.00 C +ATOM 65 H ILE A 4 -5.903 1.762 0.942 1.00 0.00 H +ATOM 66 HA ILE A 4 -5.647 -0.919 1.898 1.00 0.00 H +ATOM 67 HB ILE A 4 -7.594 0.123 -0.197 1.00 0.00 H +ATOM 68 HG12 ILE A 4 -8.901 -0.096 2.292 1.00 0.00 H +ATOM 69 HG13 ILE A 4 -7.417 0.733 2.687 1.00 0.00 H +ATOM 70 HG21 ILE A 4 -7.583 -2.322 -0.085 1.00 0.00 H +ATOM 71 HG22 ILE A 4 -7.771 -2.267 1.681 1.00 0.00 H +ATOM 72 HG23 ILE A 4 -9.072 -1.688 0.616 1.00 0.00 H +ATOM 73 HD11 ILE A 4 -7.897 2.395 0.886 1.00 0.00 H +ATOM 74 HD12 ILE A 4 -9.436 1.569 0.553 1.00 0.00 H +ATOM 75 HD13 ILE A 4 -9.171 2.357 2.121 1.00 0.00 H +ATOM 76 N GLN A 5 -4.990 -0.524 -1.331 1.00 0.00 N +ATOM 77 CA GLN A 5 -4.287 -1.099 -2.478 1.00 0.00 C +ATOM 78 C GLN A 5 -2.828 -1.408 -2.125 1.00 0.00 C +ATOM 79 O GLN A 5 -2.375 -2.526 -2.353 1.00 0.00 O +ATOM 80 CB GLN A 5 -4.383 -0.141 -3.683 1.00 0.00 C +ATOM 81 CG GLN A 5 -5.134 -0.729 -4.885 1.00 0.00 C +ATOM 82 CD GLN A 5 -6.640 -0.793 -4.645 1.00 0.00 C +ATOM 83 OE1 GLN A 5 -7.380 0.135 -4.919 1.00 0.00 O +ATOM 84 NE2 GLN A 5 -7.150 -1.887 -4.116 1.00 0.00 N +ATOM 85 H GLN A 5 -5.215 0.461 -1.367 1.00 0.00 H +ATOM 86 HA GLN A 5 -4.756 -2.048 -2.731 1.00 0.00 H +ATOM 87 HB2 GLN A 5 -4.893 0.749 -3.368 1.00 0.00 H +ATOM 88 HB3 GLN A 5 -3.380 0.134 -4.013 1.00 0.00 H +ATOM 89 HG2 GLN A 5 -4.946 -0.115 -5.745 1.00 0.00 H +ATOM 90 HG3 GLN A 5 -4.744 -1.721 -5.116 1.00 0.00 H +ATOM 91 HE21 GLN A 5 -6.566 -2.656 -3.852 1.00 0.00 H +ATOM 92 HE22 GLN A 5 -8.148 -1.839 -3.996 1.00 0.00 H +ATOM 93 N TRP A 6 -2.121 -0.454 -1.511 1.00 0.00 N +ATOM 94 CA TRP A 6 -0.744 -0.663 -1.057 1.00 0.00 C +ATOM 95 C TRP A 6 -0.613 -1.790 -0.020 1.00 0.00 C +ATOM 96 O TRP A 6 0.331 -2.579 -0.067 1.00 0.00 O +ATOM 97 CB TRP A 6 -0.201 0.655 -0.509 1.00 0.00 C +ATOM 98 CG TRP A 6 1.191 0.564 0.027 1.00 0.00 C +ATOM 99 CD1 TRP A 6 2.317 0.549 -0.722 1.00 0.00 C +ATOM 100 CD2 TRP A 6 1.627 0.427 1.415 1.00 0.00 C +ATOM 101 NE1 TRP A 6 3.412 0.401 0.105 1.00 0.00 N +ATOM 102 CE2 TRP A 6 3.049 0.343 1.428 1.00 0.00 C +ATOM 103 CE3 TRP A 6 0.972 0.368 2.666 1.00 0.00 C +ATOM 104 CZ2 TRP A 6 3.794 0.234 2.609 1.00 0.00 C +ATOM 105 CZ3 TRP A 6 1.709 0.249 3.860 1.00 0.00 C +ATOM 106 CH2 TRP A 6 3.114 0.197 3.837 1.00 0.00 C +ATOM 107 H TRP A 6 -2.569 0.443 -1.359 1.00 0.00 H +ATOM 108 HA TRP A 6 -0.136 -0.952 -1.917 1.00 0.00 H +ATOM 109 HB2 TRP A 6 -0.211 1.379 -1.301 1.00 0.00 H +ATOM 110 HB3 TRP A 6 -0.855 1.013 0.287 1.00 0.00 H +ATOM 111 HD1 TRP A 6 2.345 0.630 -1.800 1.00 0.00 H +ATOM 112 HE1 TRP A 6 4.387 0.366 -0.203 1.00 0.00 H +ATOM 113 HE3 TRP A 6 -0.106 0.426 2.698 1.00 0.00 H +ATOM 114 HZ2 TRP A 6 4.873 0.181 2.560 1.00 0.00 H +ATOM 115 HZ3 TRP A 6 1.192 0.211 4.808 1.00 0.00 H +ATOM 116 HH2 TRP A 6 3.670 0.129 4.761 1.00 0.00 H +ATOM 117 N LEU A 7 -1.578 -1.920 0.901 1.00 0.00 N +ATOM 118 CA LEU A 7 -1.631 -3.070 1.801 1.00 0.00 C +ATOM 119 C LEU A 7 -1.843 -4.394 1.050 1.00 0.00 C +ATOM 120 O LEU A 7 -1.191 -5.372 1.418 1.00 0.00 O +ATOM 121 CB LEU A 7 -2.686 -2.859 2.899 1.00 0.00 C +ATOM 122 CG LEU A 7 -2.268 -1.863 4.000 1.00 0.00 C +ATOM 123 CD1 LEU A 7 -3.426 -1.718 4.994 1.00 0.00 C +ATOM 124 CD2 LEU A 7 -1.023 -2.315 4.775 1.00 0.00 C +ATOM 125 H LEU A 7 -2.292 -1.197 0.964 1.00 0.00 H +ATOM 126 HA LEU A 7 -0.656 -3.165 2.275 1.00 0.00 H +ATOM 127 HB2 LEU A 7 -3.583 -2.492 2.437 1.00 0.00 H +ATOM 128 HB3 LEU A 7 -2.886 -3.821 3.373 1.00 0.00 H +ATOM 129 HG LEU A 7 -2.065 -0.889 3.560 1.00 0.00 H +ATOM 130 HD11 LEU A 7 -4.316 -1.368 4.472 1.00 0.00 H +ATOM 131 HD12 LEU A 7 -3.638 -2.679 5.461 1.00 0.00 H +ATOM 132 HD13 LEU A 7 -3.167 -0.998 5.769 1.00 0.00 H +ATOM 133 HD21 LEU A 7 -1.138 -3.351 5.097 1.00 0.00 H +ATOM 134 HD22 LEU A 7 -0.138 -2.227 4.147 1.00 0.00 H +ATOM 135 HD23 LEU A 7 -0.876 -1.684 5.651 1.00 0.00 H +ATOM 136 N LYS A 8 -2.657 -4.444 -0.024 1.00 0.00 N +ATOM 137 CA LYS A 8 -2.775 -5.659 -0.860 1.00 0.00 C +ATOM 138 C LYS A 8 -1.440 -6.118 -1.450 1.00 0.00 C +ATOM 139 O LYS A 8 -1.240 -7.322 -1.591 1.00 0.00 O +ATOM 140 CB LYS A 8 -3.774 -5.527 -2.021 1.00 0.00 C +ATOM 141 CG LYS A 8 -5.249 -5.395 -1.620 1.00 0.00 C +ATOM 142 CD LYS A 8 -6.167 -6.088 -2.648 1.00 0.00 C +ATOM 143 CE LYS A 8 -7.424 -5.268 -2.953 1.00 0.00 C +ATOM 144 NZ LYS A 8 -8.590 -6.134 -3.235 1.00 0.00 N +ATOM 145 H LYS A 8 -3.174 -3.604 -0.275 1.00 0.00 H +ATOM 146 HA LYS A 8 -3.108 -6.475 -0.218 1.00 0.00 H +ATOM 147 HB2 LYS A 8 -3.507 -4.656 -2.587 1.00 0.00 H +ATOM 148 HB3 LYS A 8 -3.662 -6.434 -2.619 1.00 0.00 H +ATOM 149 HG2 LYS A 8 -5.393 -5.849 -0.659 1.00 0.00 H +ATOM 150 HG3 LYS A 8 -5.497 -4.337 -1.541 1.00 0.00 H +ATOM 151 HD2 LYS A 8 -5.619 -6.230 -3.559 1.00 0.00 H +ATOM 152 HD3 LYS A 8 -6.435 -7.067 -2.249 1.00 0.00 H +ATOM 153 HE2 LYS A 8 -7.648 -4.648 -2.106 1.00 0.00 H +ATOM 154 HE3 LYS A 8 -7.213 -4.642 -3.824 1.00 0.00 H +ATOM 155 HZ1 LYS A 8 -8.371 -6.792 -3.971 1.00 0.00 H +ATOM 156 HZ2 LYS A 8 -8.842 -6.653 -2.403 1.00 0.00 H +ATOM 157 HZ3 LYS A 8 -9.385 -5.577 -3.521 1.00 0.00 H +ATOM 158 N ASP A 9 -0.520 -5.196 -1.760 1.00 0.00 N +ATOM 159 CA ASP A 9 0.824 -5.550 -2.228 1.00 0.00 C +ATOM 160 C ASP A 9 1.682 -6.246 -1.149 1.00 0.00 C +ATOM 161 O ASP A 9 2.738 -6.791 -1.479 1.00 0.00 O +ATOM 162 CB ASP A 9 1.569 -4.302 -2.729 1.00 0.00 C +ATOM 163 CG ASP A 9 0.926 -3.620 -3.934 1.00 0.00 C +ATOM 164 OD1 ASP A 9 0.770 -4.314 -4.963 1.00 0.00 O +ATOM 165 OD2 ASP A 9 0.694 -2.393 -3.841 1.00 0.00 O +ATOM 166 H ASP A 9 -0.774 -4.217 -1.668 1.00 0.00 H +ATOM 167 HA ASP A 9 0.732 -6.246 -3.065 1.00 0.00 H +ATOM 168 HB2 ASP A 9 1.611 -3.592 -1.925 1.00 0.00 H +ATOM 169 HB3 ASP A 9 2.563 -4.606 -3.037 1.00 0.00 H +ATOM 170 N GLY A 10 1.266 -6.215 0.128 1.00 0.00 N +ATOM 171 CA GLY A 10 2.015 -6.734 1.274 1.00 0.00 C +ATOM 172 C GLY A 10 2.595 -5.646 2.186 1.00 0.00 C +ATOM 173 O GLY A 10 3.441 -5.959 3.033 1.00 0.00 O +ATOM 174 H GLY A 10 0.348 -5.819 0.317 1.00 0.00 H +ATOM 175 HA2 GLY A 10 1.343 -7.348 1.874 1.00 0.00 H +ATOM 176 HA3 GLY A 10 2.832 -7.371 0.933 1.00 0.00 H +ATOM 177 N GLY A 11 2.188 -4.378 2.015 1.00 0.00 N +ATOM 178 CA GLY A 11 2.682 -3.258 2.815 1.00 0.00 C +ATOM 179 C GLY A 11 4.216 -3.151 2.773 1.00 0.00 C +ATOM 180 O GLY A 11 4.797 -3.293 1.691 1.00 0.00 O +ATOM 181 H GLY A 11 1.532 -4.174 1.270 1.00 0.00 H +ATOM 182 HA2 GLY A 11 2.262 -2.332 2.425 1.00 0.00 H +ATOM 183 HA3 GLY A 11 2.330 -3.391 3.837 1.00 0.00 H +ATOM 184 N PRO A 12 4.904 -2.935 3.918 1.00 0.00 N +ATOM 185 CA PRO A 12 6.365 -2.823 3.965 1.00 0.00 C +ATOM 186 C PRO A 12 7.102 -4.015 3.335 1.00 0.00 C +ATOM 187 O PRO A 12 8.165 -3.833 2.746 1.00 0.00 O +ATOM 188 CB PRO A 12 6.736 -2.681 5.447 1.00 0.00 C +ATOM 189 CG PRO A 12 5.452 -2.189 6.112 1.00 0.00 C +ATOM 190 CD PRO A 12 4.353 -2.826 5.263 1.00 0.00 C +ATOM 191 HA PRO A 12 6.658 -1.915 3.438 1.00 0.00 H +ATOM 192 HB2 PRO A 12 7.038 -3.626 5.856 1.00 0.00 H +ATOM 193 HB3 PRO A 12 7.554 -1.973 5.589 1.00 0.00 H +ATOM 194 HG2 PRO A 12 5.394 -2.523 7.130 1.00 0.00 H +ATOM 195 HG3 PRO A 12 5.394 -1.103 6.036 1.00 0.00 H +ATOM 196 HD2 PRO A 12 4.102 -3.797 5.644 1.00 0.00 H +ATOM 197 HD3 PRO A 12 3.456 -2.209 5.293 1.00 0.00 H +ATOM 198 N SER A 13 6.528 -5.228 3.414 1.00 0.00 N +ATOM 199 CA SER A 13 7.138 -6.446 2.859 1.00 0.00 C +ATOM 200 C SER A 13 7.295 -6.407 1.333 1.00 0.00 C +ATOM 201 O SER A 13 8.174 -7.073 0.792 1.00 0.00 O +ATOM 202 CB SER A 13 6.348 -7.692 3.277 1.00 0.00 C +ATOM 203 OG SER A 13 5.118 -7.809 2.592 1.00 0.00 O +ATOM 204 H SER A 13 5.614 -5.292 3.842 1.00 0.00 H +ATOM 205 HA SER A 13 8.138 -6.537 3.280 1.00 0.00 H +ATOM 206 HB2 SER A 13 6.942 -8.561 3.069 1.00 0.00 H +ATOM 207 HB3 SER A 13 6.165 -7.667 4.352 1.00 0.00 H +ATOM 208 HG SER A 13 4.500 -7.079 2.847 1.00 0.00 H +ATOM 209 N SER A 14 6.489 -5.586 0.645 1.00 0.00 N +ATOM 210 CA SER A 14 6.548 -5.376 -0.801 1.00 0.00 C +ATOM 211 C SER A 14 7.615 -4.354 -1.227 1.00 0.00 C +ATOM 212 O SER A 14 7.779 -4.098 -2.420 1.00 0.00 O +ATOM 213 CB SER A 14 5.172 -4.906 -1.282 1.00 0.00 C +ATOM 214 OG SER A 14 4.768 -5.648 -2.411 1.00 0.00 O +ATOM 215 H SER A 14 5.813 -5.042 1.173 1.00 0.00 H +ATOM 216 HA SER A 14 6.781 -6.328 -1.284 1.00 0.00 H +ATOM 217 HB2 SER A 14 4.456 -5.042 -0.494 1.00 0.00 H +ATOM 218 HB3 SER A 14 5.202 -3.849 -1.527 1.00 0.00 H +ATOM 219 HG SER A 14 4.004 -6.211 -2.103 1.00 0.00 H +ATOM 220 N GLY A 15 8.309 -3.713 -0.277 1.00 0.00 N +ATOM 221 CA GLY A 15 9.390 -2.752 -0.512 1.00 0.00 C +ATOM 222 C GLY A 15 8.950 -1.376 -1.041 1.00 0.00 C +ATOM 223 O GLY A 15 9.569 -0.373 -0.689 1.00 0.00 O +ATOM 224 H GLY A 15 8.111 -3.947 0.692 1.00 0.00 H +ATOM 225 HA2 GLY A 15 9.920 -2.595 0.428 1.00 0.00 H +ATOM 226 HA3 GLY A 15 10.093 -3.179 -1.226 1.00 0.00 H +ATOM 227 N ARG A 16 7.896 -1.304 -1.867 1.00 0.00 N +ATOM 228 CA ARG A 16 7.317 -0.041 -2.355 1.00 0.00 C +ATOM 229 C ARG A 16 6.801 0.839 -1.194 1.00 0.00 C +ATOM 230 O ARG A 16 6.157 0.315 -0.283 1.00 0.00 O +ATOM 231 CB ARG A 16 6.215 -0.292 -3.405 1.00 0.00 C +ATOM 232 CG ARG A 16 5.119 -1.280 -2.965 1.00 0.00 C +ATOM 233 CD ARG A 16 3.913 -1.309 -3.915 1.00 0.00 C +ATOM 234 NE ARG A 16 4.266 -1.765 -5.273 1.00 0.00 N +ATOM 235 CZ ARG A 16 4.470 -3.012 -5.684 1.00 0.00 C +ATOM 236 NH1 ARG A 16 4.434 -4.046 -4.877 1.00 0.00 N +ATOM 237 NH2 ARG A 16 4.742 -3.246 -6.946 1.00 0.00 N +ATOM 238 H ARG A 16 7.511 -2.196 -2.163 1.00 0.00 H +ATOM 239 HA ARG A 16 8.125 0.496 -2.848 1.00 0.00 H +ATOM 240 HB2 ARG A 16 5.747 0.647 -3.630 1.00 0.00 H +ATOM 241 HB3 ARG A 16 6.683 -0.678 -4.311 1.00 0.00 H +ATOM 242 HG2 ARG A 16 5.544 -2.264 -2.923 1.00 0.00 H +ATOM 243 HG3 ARG A 16 4.753 -1.013 -1.976 1.00 0.00 H +ATOM 244 HD2 ARG A 16 3.174 -1.974 -3.511 1.00 0.00 H +ATOM 245 HD3 ARG A 16 3.485 -0.307 -3.974 1.00 0.00 H +ATOM 246 HE ARG A 16 4.286 -1.055 -5.983 1.00 0.00 H +ATOM 247 HH11 ARG A 16 4.241 -3.927 -3.896 1.00 0.00 H +ATOM 248 HH12 ARG A 16 4.571 -4.985 -5.203 1.00 0.00 H +ATOM 249 HH21 ARG A 16 4.784 -2.494 -7.608 1.00 0.00 H +ATOM 250 HH22 ARG A 16 4.878 -4.192 -7.246 1.00 0.00 H +ATOM 251 N PRO A 17 7.021 2.169 -1.222 1.00 0.00 N +ATOM 252 CA PRO A 17 6.564 3.076 -0.168 1.00 0.00 C +ATOM 253 C PRO A 17 5.035 3.273 -0.193 1.00 0.00 C +ATOM 254 O PRO A 17 4.408 3.044 -1.232 1.00 0.00 O +ATOM 255 CB PRO A 17 7.304 4.392 -0.436 1.00 0.00 C +ATOM 256 CG PRO A 17 7.488 4.390 -1.951 1.00 0.00 C +ATOM 257 CD PRO A 17 7.717 2.912 -2.265 1.00 0.00 C +ATOM 258 HA PRO A 17 6.863 2.681 0.803 1.00 0.00 H +ATOM 259 HB2 PRO A 17 6.718 5.234 -0.121 1.00 0.00 H +ATOM 260 HB3 PRO A 17 8.279 4.364 0.050 1.00 0.00 H +ATOM 261 HG2 PRO A 17 6.611 4.759 -2.447 1.00 0.00 H +ATOM 262 HG3 PRO A 17 8.336 5.002 -2.259 1.00 0.00 H +ATOM 263 HD2 PRO A 17 7.314 2.668 -3.229 1.00 0.00 H +ATOM 264 HD3 PRO A 17 8.783 2.685 -2.219 1.00 0.00 H +ATOM 265 N PRO A 18 4.420 3.714 0.924 1.00 0.00 N +ATOM 266 CA PRO A 18 2.979 3.943 0.997 1.00 0.00 C +ATOM 267 C PRO A 18 2.541 5.167 0.167 1.00 0.00 C +ATOM 268 O PRO A 18 3.300 6.129 0.038 1.00 0.00 O +ATOM 269 CB PRO A 18 2.670 4.129 2.486 1.00 0.00 C +ATOM 270 CG PRO A 18 3.976 4.683 3.053 1.00 0.00 C +ATOM 271 CD PRO A 18 5.042 3.977 2.213 1.00 0.00 C +ATOM 272 HA PRO A 18 2.469 3.052 0.638 1.00 0.00 H +ATOM 273 HB2 PRO A 18 1.865 4.824 2.627 1.00 0.00 H +ATOM 274 HB3 PRO A 18 2.459 3.159 2.939 1.00 0.00 H +ATOM 275 HG2 PRO A 18 4.030 5.747 2.929 1.00 0.00 H +ATOM 276 HG3 PRO A 18 4.085 4.459 4.114 1.00 0.00 H +ATOM 277 HD2 PRO A 18 5.901 4.608 2.092 1.00 0.00 H +ATOM 278 HD3 PRO A 18 5.310 3.030 2.683 1.00 0.00 H +ATOM 279 N PRO A 19 1.305 5.165 -0.369 1.00 0.00 N +ATOM 280 CA PRO A 19 0.753 6.266 -1.151 1.00 0.00 C +ATOM 281 C PRO A 19 0.318 7.409 -0.226 1.00 0.00 C +ATOM 282 O PRO A 19 -0.451 7.189 0.714 1.00 0.00 O +ATOM 283 CB PRO A 19 -0.432 5.656 -1.908 1.00 0.00 C +ATOM 284 CG PRO A 19 -0.932 4.559 -0.967 1.00 0.00 C +ATOM 285 CD PRO A 19 0.347 4.074 -0.285 1.00 0.00 C +ATOM 286 HA PRO A 19 1.493 6.630 -1.865 1.00 0.00 H +ATOM 287 HB2 PRO A 19 -1.195 6.390 -2.081 1.00 0.00 H +ATOM 288 HB3 PRO A 19 -0.073 5.200 -2.833 1.00 0.00 H +ATOM 289 HG2 PRO A 19 -1.625 4.954 -0.249 1.00 0.00 H +ATOM 290 HG3 PRO A 19 -1.416 3.748 -1.510 1.00 0.00 H +ATOM 291 HD2 PRO A 19 0.150 3.833 0.742 1.00 0.00 H +ATOM 292 HD3 PRO A 19 0.754 3.228 -0.832 1.00 0.00 H +ATOM 293 N SER A 20 0.793 8.629 -0.503 1.00 0.00 N +ATOM 294 CA SER A 20 0.416 9.847 0.221 1.00 0.00 C +ATOM 295 C SER A 20 0.407 11.090 -0.662 1.00 0.00 C +ATOM 296 O SER A 20 0.891 11.013 -1.811 1.00 0.00 O +ATOM 297 CB SER A 20 1.359 10.094 1.397 1.00 0.00 C +ATOM 298 OG SER A 20 0.787 11.196 2.067 1.00 0.00 O +ATOM 299 OXT SER A 20 -0.035 12.112 -0.078 1.00 0.00 O +ATOM 300 H SER A 20 1.371 8.782 -1.320 1.00 0.00 H +ATOM 301 HA SER A 20 -0.594 9.730 0.608 1.00 0.00 H +ATOM 302 HB2 SER A 20 1.400 9.236 2.040 1.00 0.00 H +ATOM 303 HB3 SER A 20 2.353 10.357 1.025 1.00 0.00 H +ATOM 304 HG SER A 20 0.387 11.733 1.311 1.00 0.00 H +TER 305 SER A 20 +ENDMDL +MODEL 25 +ATOM 1 N ASN A 1 -8.822 3.713 -1.688 1.00 0.00 N +ATOM 2 CA ASN A 1 -7.636 4.584 -1.839 1.00 0.00 C +ATOM 3 C ASN A 1 -6.387 3.720 -2.050 1.00 0.00 C +ATOM 4 O ASN A 1 -6.449 2.520 -1.793 1.00 0.00 O +ATOM 5 CB ASN A 1 -7.493 5.546 -0.643 1.00 0.00 C +ATOM 6 CG ASN A 1 -6.684 6.775 -1.045 1.00 0.00 C +ATOM 7 OD1 ASN A 1 -5.471 6.716 -1.147 1.00 0.00 O +ATOM 8 ND2 ASN A 1 -7.325 7.882 -1.371 1.00 0.00 N +ATOM 9 H1 ASN A 1 -8.903 3.106 -2.494 1.00 0.00 H +ATOM 10 H2 ASN A 1 -8.709 3.131 -0.870 1.00 0.00 H +ATOM 11 H3 ASN A 1 -9.662 4.268 -1.598 1.00 0.00 H +ATOM 12 HA ASN A 1 -7.770 5.186 -2.739 1.00 0.00 H +ATOM 13 HB2 ASN A 1 -8.468 5.855 -0.319 1.00 0.00 H +ATOM 14 HB3 ASN A 1 -6.990 5.041 0.185 1.00 0.00 H +ATOM 15 HD21 ASN A 1 -8.323 8.004 -1.308 1.00 0.00 H +ATOM 16 HD22 ASN A 1 -6.719 8.647 -1.627 1.00 0.00 H +ATOM 17 N LEU A 2 -5.276 4.311 -2.504 1.00 0.00 N +ATOM 18 CA LEU A 2 -4.020 3.626 -2.831 1.00 0.00 C +ATOM 19 C LEU A 2 -3.471 2.838 -1.629 1.00 0.00 C +ATOM 20 O LEU A 2 -2.958 1.734 -1.800 1.00 0.00 O +ATOM 21 CB LEU A 2 -3.012 4.674 -3.361 1.00 0.00 C +ATOM 22 CG LEU A 2 -2.196 4.219 -4.592 1.00 0.00 C +ATOM 23 CD1 LEU A 2 -1.533 5.435 -5.247 1.00 0.00 C +ATOM 24 CD2 LEU A 2 -1.091 3.204 -4.289 1.00 0.00 C +ATOM 25 H LEU A 2 -5.249 5.328 -2.518 1.00 0.00 H +ATOM 26 HA LEU A 2 -4.228 2.905 -3.623 1.00 0.00 H +ATOM 27 HB2 LEU A 2 -3.558 5.557 -3.630 1.00 0.00 H +ATOM 28 HB3 LEU A 2 -2.343 4.981 -2.561 1.00 0.00 H +ATOM 29 HG LEU A 2 -2.881 3.777 -5.315 1.00 0.00 H +ATOM 30 HD11 LEU A 2 -2.296 6.145 -5.570 1.00 0.00 H +ATOM 31 HD12 LEU A 2 -0.864 5.929 -4.541 1.00 0.00 H +ATOM 32 HD13 LEU A 2 -0.962 5.119 -6.121 1.00 0.00 H +ATOM 33 HD21 LEU A 2 -0.285 3.677 -3.730 1.00 0.00 H +ATOM 34 HD22 LEU A 2 -1.483 2.363 -3.723 1.00 0.00 H +ATOM 35 HD23 LEU A 2 -0.681 2.826 -5.224 1.00 0.00 H +ATOM 36 N TYR A 3 -3.666 3.358 -0.409 1.00 0.00 N +ATOM 37 CA TYR A 3 -3.284 2.708 0.847 1.00 0.00 C +ATOM 38 C TYR A 3 -3.873 1.292 1.002 1.00 0.00 C +ATOM 39 O TYR A 3 -3.194 0.398 1.503 1.00 0.00 O +ATOM 40 CB TYR A 3 -3.690 3.607 2.030 1.00 0.00 C +ATOM 41 CG TYR A 3 -2.649 3.669 3.132 1.00 0.00 C +ATOM 42 CD1 TYR A 3 -2.390 2.535 3.927 1.00 0.00 C +ATOM 43 CD2 TYR A 3 -1.934 4.863 3.357 1.00 0.00 C +ATOM 44 CE1 TYR A 3 -1.425 2.597 4.950 1.00 0.00 C +ATOM 45 CE2 TYR A 3 -0.980 4.936 4.389 1.00 0.00 C +ATOM 46 CZ TYR A 3 -0.731 3.802 5.194 1.00 0.00 C +ATOM 47 OH TYR A 3 0.150 3.872 6.227 1.00 0.00 O +ATOM 48 H TYR A 3 -4.047 4.292 -0.362 1.00 0.00 H +ATOM 49 HA TYR A 3 -2.198 2.613 0.856 1.00 0.00 H +ATOM 50 HB2 TYR A 3 -3.852 4.601 1.660 1.00 0.00 H +ATOM 51 HB3 TYR A 3 -4.632 3.256 2.454 1.00 0.00 H +ATOM 52 HD1 TYR A 3 -2.935 1.619 3.761 1.00 0.00 H +ATOM 53 HD2 TYR A 3 -2.110 5.742 2.747 1.00 0.00 H +ATOM 54 HE1 TYR A 3 -1.221 1.739 5.572 1.00 0.00 H +ATOM 55 HE2 TYR A 3 -0.449 5.867 4.548 1.00 0.00 H +ATOM 56 HH TYR A 3 0.326 4.786 6.461 1.00 0.00 H +ATOM 57 N ILE A 4 -5.115 1.071 0.535 1.00 0.00 N +ATOM 58 CA ILE A 4 -5.776 -0.242 0.562 1.00 0.00 C +ATOM 59 C ILE A 4 -5.002 -1.217 -0.330 1.00 0.00 C +ATOM 60 O ILE A 4 -4.614 -2.289 0.122 1.00 0.00 O +ATOM 61 CB ILE A 4 -7.263 -0.143 0.130 1.00 0.00 C +ATOM 62 CG1 ILE A 4 -8.048 0.841 1.030 1.00 0.00 C +ATOM 63 CG2 ILE A 4 -7.919 -1.539 0.153 1.00 0.00 C +ATOM 64 CD1 ILE A 4 -9.483 1.110 0.557 1.00 0.00 C +ATOM 65 H ILE A 4 -5.572 1.829 0.046 1.00 0.00 H +ATOM 66 HA ILE A 4 -5.741 -0.629 1.581 1.00 0.00 H +ATOM 67 HB ILE A 4 -7.305 0.225 -0.896 1.00 0.00 H +ATOM 68 HG12 ILE A 4 -8.090 0.432 2.021 1.00 0.00 H +ATOM 69 HG13 ILE A 4 -7.535 1.802 1.049 1.00 0.00 H +ATOM 70 HG21 ILE A 4 -7.419 -2.213 -0.543 1.00 0.00 H +ATOM 71 HG22 ILE A 4 -7.865 -1.964 1.157 1.00 0.00 H +ATOM 72 HG23 ILE A 4 -8.963 -1.481 -0.153 1.00 0.00 H +ATOM 73 HD11 ILE A 4 -9.492 1.320 -0.512 1.00 0.00 H +ATOM 74 HD12 ILE A 4 -10.118 0.247 0.759 1.00 0.00 H +ATOM 75 HD13 ILE A 4 -9.887 1.968 1.096 1.00 0.00 H +ATOM 76 N GLN A 5 -4.757 -0.824 -1.585 1.00 0.00 N +ATOM 77 CA GLN A 5 -4.017 -1.607 -2.576 1.00 0.00 C +ATOM 78 C GLN A 5 -2.587 -1.900 -2.083 1.00 0.00 C +ATOM 79 O GLN A 5 -2.148 -3.047 -2.102 1.00 0.00 O +ATOM 80 CB GLN A 5 -4.057 -0.847 -3.919 1.00 0.00 C +ATOM 81 CG GLN A 5 -4.071 -1.760 -5.155 1.00 0.00 C +ATOM 82 CD GLN A 5 -2.773 -2.524 -5.382 1.00 0.00 C +ATOM 83 OE1 GLN A 5 -2.723 -3.734 -5.250 1.00 0.00 O +ATOM 84 NE2 GLN A 5 -1.697 -1.854 -5.752 1.00 0.00 N +ATOM 85 H GLN A 5 -5.059 0.104 -1.844 1.00 0.00 H +ATOM 86 HA GLN A 5 -4.528 -2.564 -2.697 1.00 0.00 H +ATOM 87 HB2 GLN A 5 -4.942 -0.241 -3.937 1.00 0.00 H +ATOM 88 HB3 GLN A 5 -3.227 -0.144 -3.981 1.00 0.00 H +ATOM 89 HG2 GLN A 5 -4.865 -2.472 -5.038 1.00 0.00 H +ATOM 90 HG3 GLN A 5 -4.268 -1.149 -6.038 1.00 0.00 H +ATOM 91 HE21 GLN A 5 -1.694 -0.862 -5.911 1.00 0.00 H +ATOM 92 HE22 GLN A 5 -0.889 -2.443 -5.884 1.00 0.00 H +ATOM 93 N TRP A 6 -1.898 -0.878 -1.557 1.00 0.00 N +ATOM 94 CA TRP A 6 -0.578 -0.992 -0.936 1.00 0.00 C +ATOM 95 C TRP A 6 -0.552 -2.023 0.205 1.00 0.00 C +ATOM 96 O TRP A 6 0.292 -2.918 0.198 1.00 0.00 O +ATOM 97 CB TRP A 6 -0.127 0.397 -0.466 1.00 0.00 C +ATOM 98 CG TRP A 6 1.249 0.448 0.122 1.00 0.00 C +ATOM 99 CD1 TRP A 6 2.402 0.437 -0.587 1.00 0.00 C +ATOM 100 CD2 TRP A 6 1.644 0.501 1.528 1.00 0.00 C +ATOM 101 NE1 TRP A 6 3.474 0.460 0.282 1.00 0.00 N +ATOM 102 CE2 TRP A 6 3.068 0.490 1.594 1.00 0.00 C +ATOM 103 CE3 TRP A 6 0.952 0.549 2.757 1.00 0.00 C +ATOM 104 CZ2 TRP A 6 3.775 0.513 2.805 1.00 0.00 C +ATOM 105 CZ3 TRP A 6 1.647 0.567 3.982 1.00 0.00 C +ATOM 106 CH2 TRP A 6 3.054 0.548 4.010 1.00 0.00 C +ATOM 107 H TRP A 6 -2.335 0.042 -1.580 1.00 0.00 H +ATOM 108 HA TRP A 6 0.127 -1.341 -1.691 1.00 0.00 H +ATOM 109 HB2 TRP A 6 -0.154 1.059 -1.310 1.00 0.00 H +ATOM 110 HB3 TRP A 6 -0.830 0.770 0.277 1.00 0.00 H +ATOM 111 HD1 TRP A 6 2.467 0.400 -1.665 1.00 0.00 H +ATOM 112 HE1 TRP A 6 4.459 0.466 0.011 1.00 0.00 H +ATOM 113 HE3 TRP A 6 -0.127 0.579 2.747 1.00 0.00 H +ATOM 114 HZ2 TRP A 6 4.854 0.502 2.796 1.00 0.00 H +ATOM 115 HZ3 TRP A 6 1.097 0.607 4.913 1.00 0.00 H +ATOM 116 HH2 TRP A 6 3.578 0.569 4.955 1.00 0.00 H +ATOM 117 N LEU A 7 -1.488 -1.942 1.163 1.00 0.00 N +ATOM 118 CA LEU A 7 -1.617 -2.951 2.219 1.00 0.00 C +ATOM 119 C LEU A 7 -1.966 -4.341 1.668 1.00 0.00 C +ATOM 120 O LEU A 7 -1.376 -5.320 2.123 1.00 0.00 O +ATOM 121 CB LEU A 7 -2.642 -2.514 3.280 1.00 0.00 C +ATOM 122 CG LEU A 7 -2.149 -1.401 4.223 1.00 0.00 C +ATOM 123 CD1 LEU A 7 -3.284 -0.995 5.164 1.00 0.00 C +ATOM 124 CD2 LEU A 7 -0.953 -1.839 5.080 1.00 0.00 C +ATOM 125 H LEU A 7 -2.154 -1.170 1.141 1.00 0.00 H +ATOM 126 HA LEU A 7 -0.644 -3.065 2.695 1.00 0.00 H +ATOM 127 HB2 LEU A 7 -3.519 -2.160 2.773 1.00 0.00 H +ATOM 128 HB3 LEU A 7 -2.902 -3.381 3.888 1.00 0.00 H +ATOM 129 HG LEU A 7 -1.860 -0.531 3.640 1.00 0.00 H +ATOM 130 HD11 LEU A 7 -4.142 -0.659 4.582 1.00 0.00 H +ATOM 131 HD12 LEU A 7 -3.579 -1.842 5.783 1.00 0.00 H +ATOM 132 HD13 LEU A 7 -2.959 -0.178 5.809 1.00 0.00 H +ATOM 133 HD21 LEU A 7 -1.180 -2.772 5.594 1.00 0.00 H +ATOM 134 HD22 LEU A 7 -0.070 -1.975 4.456 1.00 0.00 H +ATOM 135 HD23 LEU A 7 -0.724 -1.071 5.819 1.00 0.00 H +ATOM 136 N LYS A 8 -2.866 -4.444 0.675 1.00 0.00 N +ATOM 137 CA LYS A 8 -3.232 -5.709 0.014 1.00 0.00 C +ATOM 138 C LYS A 8 -1.995 -6.419 -0.554 1.00 0.00 C +ATOM 139 O LYS A 8 -1.851 -7.626 -0.374 1.00 0.00 O +ATOM 140 CB LYS A 8 -4.313 -5.443 -1.057 1.00 0.00 C +ATOM 141 CG LYS A 8 -5.232 -6.637 -1.368 1.00 0.00 C +ATOM 142 CD LYS A 8 -4.597 -7.726 -2.241 1.00 0.00 C +ATOM 143 CE LYS A 8 -5.626 -8.816 -2.553 1.00 0.00 C +ATOM 144 NZ LYS A 8 -4.979 -9.985 -3.192 1.00 0.00 N +ATOM 145 H LYS A 8 -3.334 -3.588 0.376 1.00 0.00 H +ATOM 146 HA LYS A 8 -3.648 -6.368 0.776 1.00 0.00 H +ATOM 147 HB2 LYS A 8 -4.926 -4.632 -0.716 1.00 0.00 H +ATOM 148 HB3 LYS A 8 -3.853 -5.080 -1.976 1.00 0.00 H +ATOM 149 HG2 LYS A 8 -5.526 -7.084 -0.438 1.00 0.00 H +ATOM 150 HG3 LYS A 8 -6.106 -6.251 -1.896 1.00 0.00 H +ATOM 151 HD2 LYS A 8 -4.253 -7.289 -3.159 1.00 0.00 H +ATOM 152 HD3 LYS A 8 -3.770 -8.185 -1.708 1.00 0.00 H +ATOM 153 HE2 LYS A 8 -6.094 -9.129 -1.640 1.00 0.00 H +ATOM 154 HE3 LYS A 8 -6.396 -8.398 -3.207 1.00 0.00 H +ATOM 155 HZ1 LYS A 8 -4.519 -9.702 -4.048 1.00 0.00 H +ATOM 156 HZ2 LYS A 8 -4.281 -10.374 -2.570 1.00 0.00 H +ATOM 157 HZ3 LYS A 8 -5.664 -10.700 -3.404 1.00 0.00 H +ATOM 158 N ASP A 9 -1.077 -5.668 -1.169 1.00 0.00 N +ATOM 159 CA ASP A 9 0.212 -6.164 -1.668 1.00 0.00 C +ATOM 160 C ASP A 9 1.207 -6.590 -0.560 1.00 0.00 C +ATOM 161 O ASP A 9 2.261 -7.145 -0.857 1.00 0.00 O +ATOM 162 CB ASP A 9 0.834 -5.084 -2.569 1.00 0.00 C +ATOM 163 CG ASP A 9 1.509 -5.695 -3.797 1.00 0.00 C +ATOM 164 OD1 ASP A 9 0.788 -5.935 -4.790 1.00 0.00 O +ATOM 165 OD2 ASP A 9 2.746 -5.888 -3.742 1.00 0.00 O +ATOM 166 H ASP A 9 -1.310 -4.691 -1.337 1.00 0.00 H +ATOM 167 HA ASP A 9 0.016 -7.046 -2.280 1.00 0.00 H +ATOM 168 HB2 ASP A 9 0.061 -4.414 -2.894 1.00 0.00 H +ATOM 169 HB3 ASP A 9 1.556 -4.497 -1.999 1.00 0.00 H +ATOM 170 N GLY A 10 0.892 -6.349 0.722 1.00 0.00 N +ATOM 171 CA GLY A 10 1.749 -6.664 1.870 1.00 0.00 C +ATOM 172 C GLY A 10 2.432 -5.442 2.495 1.00 0.00 C +ATOM 173 O GLY A 10 3.341 -5.612 3.316 1.00 0.00 O +ATOM 174 H GLY A 10 -0.020 -5.949 0.925 1.00 0.00 H +ATOM 175 HA2 GLY A 10 1.134 -7.131 2.639 1.00 0.00 H +ATOM 176 HA3 GLY A 10 2.517 -7.381 1.579 1.00 0.00 H +ATOM 177 N GLY A 11 2.030 -4.224 2.106 1.00 0.00 N +ATOM 178 CA GLY A 11 2.562 -2.956 2.594 1.00 0.00 C +ATOM 179 C GLY A 11 4.077 -2.849 2.377 1.00 0.00 C +ATOM 180 O GLY A 11 4.519 -2.945 1.227 1.00 0.00 O +ATOM 181 H GLY A 11 1.324 -4.158 1.376 1.00 0.00 H +ATOM 182 HA2 GLY A 11 2.087 -2.147 2.042 1.00 0.00 H +ATOM 183 HA3 GLY A 11 2.297 -2.847 3.642 1.00 0.00 H +ATOM 184 N PRO A 12 4.898 -2.704 3.442 1.00 0.00 N +ATOM 185 CA PRO A 12 6.359 -2.670 3.324 1.00 0.00 C +ATOM 186 C PRO A 12 6.945 -3.880 2.582 1.00 0.00 C +ATOM 187 O PRO A 12 7.983 -3.757 1.936 1.00 0.00 O +ATOM 188 CB PRO A 12 6.900 -2.604 4.759 1.00 0.00 C +ATOM 189 CG PRO A 12 5.728 -2.068 5.577 1.00 0.00 C +ATOM 190 CD PRO A 12 4.512 -2.626 4.845 1.00 0.00 C +ATOM 191 HA PRO A 12 6.641 -1.759 2.794 1.00 0.00 H +ATOM 192 HB2 PRO A 12 7.189 -3.579 5.102 1.00 0.00 H +ATOM 193 HB3 PRO A 12 7.769 -1.950 4.830 1.00 0.00 H +ATOM 194 HG2 PRO A 12 5.767 -2.427 6.588 1.00 0.00 H +ATOM 195 HG3 PRO A 12 5.715 -0.978 5.530 1.00 0.00 H +ATOM 196 HD2 PRO A 12 4.264 -3.600 5.220 1.00 0.00 H +ATOM 197 HD3 PRO A 12 3.657 -1.969 5.001 1.00 0.00 H +ATOM 198 N SER A 13 6.257 -5.031 2.623 1.00 0.00 N +ATOM 199 CA SER A 13 6.670 -6.282 1.972 1.00 0.00 C +ATOM 200 C SER A 13 6.824 -6.145 0.453 1.00 0.00 C +ATOM 201 O SER A 13 7.646 -6.844 -0.133 1.00 0.00 O +ATOM 202 CB SER A 13 5.666 -7.410 2.245 1.00 0.00 C +ATOM 203 OG SER A 13 5.190 -7.395 3.578 1.00 0.00 O +ATOM 204 H SER A 13 5.393 -5.044 3.149 1.00 0.00 H +ATOM 205 HA SER A 13 7.634 -6.578 2.384 1.00 0.00 H +ATOM 206 HB2 SER A 13 4.832 -7.298 1.579 1.00 0.00 H +ATOM 207 HB3 SER A 13 6.147 -8.369 2.042 1.00 0.00 H +ATOM 208 HG SER A 13 4.440 -6.757 3.610 1.00 0.00 H +ATOM 209 N SER A 14 6.065 -5.236 -0.178 1.00 0.00 N +ATOM 210 CA SER A 14 6.173 -4.951 -1.616 1.00 0.00 C +ATOM 211 C SER A 14 7.384 -4.059 -1.960 1.00 0.00 C +ATOM 212 O SER A 14 7.680 -3.817 -3.128 1.00 0.00 O +ATOM 213 CB SER A 14 4.873 -4.299 -2.106 1.00 0.00 C +ATOM 214 OG SER A 14 4.686 -4.580 -3.476 1.00 0.00 O +ATOM 215 H SER A 14 5.428 -4.670 0.375 1.00 0.00 H +ATOM 216 HA SER A 14 6.289 -5.897 -2.145 1.00 0.00 H +ATOM 217 HB2 SER A 14 4.045 -4.689 -1.546 1.00 0.00 H +ATOM 218 HB3 SER A 14 4.926 -3.220 -1.965 1.00 0.00 H +ATOM 219 HG SER A 14 3.848 -5.193 -3.590 1.00 0.00 H +ATOM 220 N GLY A 15 8.094 -3.531 -0.951 1.00 0.00 N +ATOM 221 CA GLY A 15 9.291 -2.699 -1.108 1.00 0.00 C +ATOM 222 C GLY A 15 9.020 -1.228 -1.452 1.00 0.00 C +ATOM 223 O GLY A 15 9.943 -0.418 -1.405 1.00 0.00 O +ATOM 224 H GLY A 15 7.836 -3.773 0.003 1.00 0.00 H +ATOM 225 HA2 GLY A 15 9.859 -2.730 -0.178 1.00 0.00 H +ATOM 226 HA3 GLY A 15 9.916 -3.120 -1.896 1.00 0.00 H +ATOM 227 N ARG A 16 7.772 -0.861 -1.777 1.00 0.00 N +ATOM 228 CA ARG A 16 7.352 0.518 -2.058 1.00 0.00 C +ATOM 229 C ARG A 16 6.926 1.233 -0.760 1.00 0.00 C +ATOM 230 O ARG A 16 6.220 0.619 0.040 1.00 0.00 O +ATOM 231 CB ARG A 16 6.203 0.479 -3.084 1.00 0.00 C +ATOM 232 CG ARG A 16 5.906 1.869 -3.663 1.00 0.00 C +ATOM 233 CD ARG A 16 4.859 1.824 -4.784 1.00 0.00 C +ATOM 234 NE ARG A 16 5.035 2.953 -5.722 1.00 0.00 N +ATOM 235 CZ ARG A 16 5.956 3.050 -6.675 1.00 0.00 C +ATOM 236 NH1 ARG A 16 6.818 2.086 -6.908 1.00 0.00 N +ATOM 237 NH2 ARG A 16 6.038 4.130 -7.417 1.00 0.00 N +ATOM 238 H ARG A 16 7.080 -1.599 -1.790 1.00 0.00 H +ATOM 239 HA ARG A 16 8.204 1.035 -2.496 1.00 0.00 H +ATOM 240 HB2 ARG A 16 6.476 -0.180 -3.886 1.00 0.00 H +ATOM 241 HB3 ARG A 16 5.302 0.068 -2.623 1.00 0.00 H +ATOM 242 HG2 ARG A 16 5.541 2.500 -2.875 1.00 0.00 H +ATOM 243 HG3 ARG A 16 6.835 2.270 -4.065 1.00 0.00 H +ATOM 244 HD2 ARG A 16 4.961 0.902 -5.323 1.00 0.00 H +ATOM 245 HD3 ARG A 16 3.862 1.868 -4.338 1.00 0.00 H +ATOM 246 HE ARG A 16 4.410 3.733 -5.609 1.00 0.00 H +ATOM 247 HH11 ARG A 16 6.760 1.254 -6.348 1.00 0.00 H +ATOM 248 HH12 ARG A 16 7.516 2.163 -7.627 1.00 0.00 H +ATOM 249 HH21 ARG A 16 5.407 4.899 -7.273 1.00 0.00 H +ATOM 250 HH22 ARG A 16 6.744 4.192 -8.129 1.00 0.00 H +ATOM 251 N PRO A 17 7.271 2.523 -0.549 1.00 0.00 N +ATOM 252 CA PRO A 17 6.808 3.297 0.611 1.00 0.00 C +ATOM 253 C PRO A 17 5.279 3.519 0.624 1.00 0.00 C +ATOM 254 O PRO A 17 4.632 3.367 -0.415 1.00 0.00 O +ATOM 255 CB PRO A 17 7.573 4.626 0.537 1.00 0.00 C +ATOM 256 CG PRO A 17 7.901 4.777 -0.945 1.00 0.00 C +ATOM 257 CD PRO A 17 8.157 3.337 -1.372 1.00 0.00 C +ATOM 258 HA PRO A 17 7.094 2.768 1.522 1.00 0.00 H +ATOM 259 HB2 PRO A 17 6.961 5.439 0.877 1.00 0.00 H +ATOM 260 HB3 PRO A 17 8.500 4.546 1.107 1.00 0.00 H +ATOM 261 HG2 PRO A 17 7.076 5.201 -1.484 1.00 0.00 H +ATOM 262 HG3 PRO A 17 8.773 5.411 -1.109 1.00 0.00 H +ATOM 263 HD2 PRO A 17 7.927 3.208 -2.412 1.00 0.00 H +ATOM 264 HD3 PRO A 17 9.192 3.067 -1.160 1.00 0.00 H +ATOM 265 N PRO A 18 4.694 3.905 1.780 1.00 0.00 N +ATOM 266 CA PRO A 18 3.255 4.134 1.918 1.00 0.00 C +ATOM 267 C PRO A 18 2.773 5.345 1.089 1.00 0.00 C +ATOM 268 O PRO A 18 3.434 6.387 1.085 1.00 0.00 O +ATOM 269 CB PRO A 18 2.999 4.340 3.415 1.00 0.00 C +ATOM 270 CG PRO A 18 4.345 4.826 3.946 1.00 0.00 C +ATOM 271 CD PRO A 18 5.352 4.088 3.066 1.00 0.00 C +ATOM 272 HA PRO A 18 2.740 3.228 1.610 1.00 0.00 H +ATOM 273 HB2 PRO A 18 2.235 5.077 3.575 1.00 0.00 H +ATOM 274 HB3 PRO A 18 2.750 3.384 3.875 1.00 0.00 H +ATOM 275 HG2 PRO A 18 4.442 5.889 3.834 1.00 0.00 H +ATOM 276 HG3 PRO A 18 4.476 4.586 5.001 1.00 0.00 H +ATOM 277 HD2 PRO A 18 6.245 4.671 2.949 1.00 0.00 H +ATOM 278 HD3 PRO A 18 5.572 3.112 3.500 1.00 0.00 H +ATOM 279 N PRO A 19 1.634 5.227 0.378 1.00 0.00 N +ATOM 280 CA PRO A 19 1.081 6.286 -0.462 1.00 0.00 C +ATOM 281 C PRO A 19 0.140 7.224 0.318 1.00 0.00 C +ATOM 282 O PRO A 19 -0.995 6.854 0.627 1.00 0.00 O +ATOM 283 CB PRO A 19 0.343 5.530 -1.568 1.00 0.00 C +ATOM 284 CG PRO A 19 -0.205 4.301 -0.835 1.00 0.00 C +ATOM 285 CD PRO A 19 0.881 3.994 0.190 1.00 0.00 C +ATOM 286 HA PRO A 19 1.884 6.872 -0.910 1.00 0.00 H +ATOM 287 HB2 PRO A 19 -0.453 6.123 -1.976 1.00 0.00 H +ATOM 288 HB3 PRO A 19 1.059 5.213 -2.327 1.00 0.00 H +ATOM 289 HG2 PRO A 19 -1.137 4.524 -0.353 1.00 0.00 H +ATOM 290 HG3 PRO A 19 -0.362 3.458 -1.502 1.00 0.00 H +ATOM 291 HD2 PRO A 19 0.439 3.685 1.117 1.00 0.00 H +ATOM 292 HD3 PRO A 19 1.543 3.227 -0.214 1.00 0.00 H +ATOM 293 N SER A 20 0.592 8.464 0.558 1.00 0.00 N +ATOM 294 CA SER A 20 -0.080 9.471 1.411 1.00 0.00 C +ATOM 295 C SER A 20 -0.300 8.997 2.863 1.00 0.00 C +ATOM 296 O SER A 20 -1.168 9.604 3.527 1.00 0.00 O +ATOM 297 CB SER A 20 -1.392 9.955 0.771 1.00 0.00 C +ATOM 298 OG SER A 20 -1.109 10.475 -0.508 1.00 0.00 O +ATOM 299 OXT SER A 20 0.428 8.079 3.303 1.00 0.00 O +ATOM 300 H SER A 20 1.561 8.632 0.336 1.00 0.00 H +ATOM 301 HA SER A 20 0.570 10.339 1.493 1.00 0.00 H +ATOM 302 HB2 SER A 20 -2.075 9.132 0.683 1.00 0.00 H +ATOM 303 HB3 SER A 20 -1.847 10.731 1.390 1.00 0.00 H +ATOM 304 HG SER A 20 -0.488 9.864 -0.909 1.00 0.00 H +TER 305 SER A 20 +ENDMDL +MODEL 26 +ATOM 1 N ASN A 1 -6.391 7.510 1.067 1.00 0.00 N +ATOM 2 CA ASN A 1 -7.401 6.806 0.244 1.00 0.00 C +ATOM 3 C ASN A 1 -6.844 5.505 -0.338 1.00 0.00 C +ATOM 4 O ASN A 1 -7.312 4.446 0.047 1.00 0.00 O +ATOM 5 CB ASN A 1 -8.052 7.731 -0.811 1.00 0.00 C +ATOM 6 CG ASN A 1 -9.488 7.309 -1.115 1.00 0.00 C +ATOM 7 OD1 ASN A 1 -10.112 6.606 -0.339 1.00 0.00 O +ATOM 8 ND2 ASN A 1 -10.066 7.738 -2.223 1.00 0.00 N +ATOM 9 H1 ASN A 1 -5.984 6.869 1.737 1.00 0.00 H +ATOM 10 H2 ASN A 1 -5.657 7.891 0.486 1.00 0.00 H +ATOM 11 H3 ASN A 1 -6.829 8.267 1.573 1.00 0.00 H +ATOM 12 HA ASN A 1 -8.203 6.494 0.918 1.00 0.00 H +ATOM 13 HB2 ASN A 1 -8.056 8.737 -0.438 1.00 0.00 H +ATOM 14 HB3 ASN A 1 -7.467 7.735 -1.732 1.00 0.00 H +ATOM 15 HD21 ASN A 1 -9.621 8.342 -2.895 1.00 0.00 H +ATOM 16 HD22 ASN A 1 -11.024 7.438 -2.329 1.00 0.00 H +ATOM 17 N LEU A 2 -5.809 5.545 -1.190 1.00 0.00 N +ATOM 18 CA LEU A 2 -5.260 4.361 -1.876 1.00 0.00 C +ATOM 19 C LEU A 2 -4.455 3.379 -0.984 1.00 0.00 C +ATOM 20 O LEU A 2 -3.894 2.406 -1.484 1.00 0.00 O +ATOM 21 CB LEU A 2 -4.436 4.848 -3.091 1.00 0.00 C +ATOM 22 CG LEU A 2 -4.581 3.949 -4.337 1.00 0.00 C +ATOM 23 CD1 LEU A 2 -5.961 4.101 -4.990 1.00 0.00 C +ATOM 24 CD2 LEU A 2 -3.517 4.307 -5.376 1.00 0.00 C +ATOM 25 H LEU A 2 -5.432 6.430 -1.495 1.00 0.00 H +ATOM 26 HA LEU A 2 -6.112 3.787 -2.244 1.00 0.00 H +ATOM 27 HB2 LEU A 2 -4.762 5.838 -3.347 1.00 0.00 H +ATOM 28 HB3 LEU A 2 -3.385 4.897 -2.803 1.00 0.00 H +ATOM 29 HG LEU A 2 -4.439 2.910 -4.055 1.00 0.00 H +ATOM 30 HD11 LEU A 2 -6.748 3.783 -4.309 1.00 0.00 H +ATOM 31 HD12 LEU A 2 -6.130 5.140 -5.275 1.00 0.00 H +ATOM 32 HD13 LEU A 2 -6.013 3.478 -5.884 1.00 0.00 H +ATOM 33 HD21 LEU A 2 -3.640 5.340 -5.703 1.00 0.00 H +ATOM 34 HD22 LEU A 2 -2.523 4.177 -4.947 1.00 0.00 H +ATOM 35 HD23 LEU A 2 -3.611 3.645 -6.237 1.00 0.00 H +ATOM 36 N TYR A 3 -4.393 3.603 0.335 1.00 0.00 N +ATOM 37 CA TYR A 3 -3.609 2.805 1.286 1.00 0.00 C +ATOM 38 C TYR A 3 -3.980 1.311 1.271 1.00 0.00 C +ATOM 39 O TYR A 3 -3.097 0.457 1.342 1.00 0.00 O +ATOM 40 CB TYR A 3 -3.768 3.413 2.688 1.00 0.00 C +ATOM 41 CG TYR A 3 -2.733 2.956 3.700 1.00 0.00 C +ATOM 42 CD1 TYR A 3 -1.416 3.452 3.615 1.00 0.00 C +ATOM 43 CD2 TYR A 3 -3.089 2.094 4.759 1.00 0.00 C +ATOM 44 CE1 TYR A 3 -0.459 3.085 4.578 1.00 0.00 C +ATOM 45 CE2 TYR A 3 -2.137 1.743 5.737 1.00 0.00 C +ATOM 46 CZ TYR A 3 -0.818 2.240 5.645 1.00 0.00 C +ATOM 47 OH TYR A 3 0.102 1.933 6.600 1.00 0.00 O +ATOM 48 H TYR A 3 -4.931 4.374 0.692 1.00 0.00 H +ATOM 49 HA TYR A 3 -2.558 2.880 1.004 1.00 0.00 H +ATOM 50 HB2 TYR A 3 -3.700 4.480 2.599 1.00 0.00 H +ATOM 51 HB3 TYR A 3 -4.769 3.193 3.064 1.00 0.00 H +ATOM 52 HD1 TYR A 3 -1.140 4.153 2.841 1.00 0.00 H +ATOM 53 HD2 TYR A 3 -4.101 1.723 4.839 1.00 0.00 H +ATOM 54 HE1 TYR A 3 0.543 3.484 4.536 1.00 0.00 H +ATOM 55 HE2 TYR A 3 -2.415 1.104 6.560 1.00 0.00 H +ATOM 56 HH TYR A 3 -0.304 1.658 7.423 1.00 0.00 H +ATOM 57 N ILE A 4 -5.271 0.979 1.105 1.00 0.00 N +ATOM 58 CA ILE A 4 -5.754 -0.410 1.022 1.00 0.00 C +ATOM 59 C ILE A 4 -5.089 -1.175 -0.139 1.00 0.00 C +ATOM 60 O ILE A 4 -4.712 -2.334 0.030 1.00 0.00 O +ATOM 61 CB ILE A 4 -7.299 -0.466 0.907 1.00 0.00 C +ATOM 62 CG1 ILE A 4 -8.026 0.325 2.026 1.00 0.00 C +ATOM 63 CG2 ILE A 4 -7.790 -1.925 0.951 1.00 0.00 C +ATOM 64 CD1 ILE A 4 -8.616 1.639 1.507 1.00 0.00 C +ATOM 65 H ILE A 4 -5.941 1.734 1.048 1.00 0.00 H +ATOM 66 HA ILE A 4 -5.466 -0.915 1.945 1.00 0.00 H +ATOM 67 HB ILE A 4 -7.586 -0.056 -0.062 1.00 0.00 H +ATOM 68 HG12 ILE A 4 -8.820 -0.280 2.419 1.00 0.00 H +ATOM 69 HG13 ILE A 4 -7.342 0.536 2.850 1.00 0.00 H +ATOM 70 HG21 ILE A 4 -7.387 -2.483 0.107 1.00 0.00 H +ATOM 71 HG22 ILE A 4 -7.482 -2.388 1.890 1.00 0.00 H +ATOM 72 HG23 ILE A 4 -8.878 -1.947 0.874 1.00 0.00 H +ATOM 73 HD11 ILE A 4 -7.815 2.287 1.164 1.00 0.00 H +ATOM 74 HD12 ILE A 4 -9.304 1.440 0.682 1.00 0.00 H +ATOM 75 HD13 ILE A 4 -9.164 2.137 2.308 1.00 0.00 H +ATOM 76 N GLN A 5 -4.926 -0.531 -1.304 1.00 0.00 N +ATOM 77 CA GLN A 5 -4.245 -1.108 -2.469 1.00 0.00 C +ATOM 78 C GLN A 5 -2.765 -1.396 -2.181 1.00 0.00 C +ATOM 79 O GLN A 5 -2.271 -2.461 -2.542 1.00 0.00 O +ATOM 80 CB GLN A 5 -4.387 -0.170 -3.681 1.00 0.00 C +ATOM 81 CG GLN A 5 -5.621 -0.468 -4.541 1.00 0.00 C +ATOM 82 CD GLN A 5 -5.458 -1.776 -5.310 1.00 0.00 C +ATOM 83 OE1 GLN A 5 -4.686 -1.876 -6.248 1.00 0.00 O +ATOM 84 NE2 GLN A 5 -6.163 -2.827 -4.942 1.00 0.00 N +ATOM 85 H GLN A 5 -5.175 0.448 -1.343 1.00 0.00 H +ATOM 86 HA GLN A 5 -4.705 -2.066 -2.705 1.00 0.00 H +ATOM 87 HB2 GLN A 5 -4.457 0.839 -3.324 1.00 0.00 H +ATOM 88 HB3 GLN A 5 -3.501 -0.243 -4.314 1.00 0.00 H +ATOM 89 HG2 GLN A 5 -6.481 -0.542 -3.904 1.00 0.00 H +ATOM 90 HG3 GLN A 5 -5.740 0.337 -5.267 1.00 0.00 H +ATOM 91 HE21 GLN A 5 -6.842 -2.805 -4.203 1.00 0.00 H +ATOM 92 HE22 GLN A 5 -5.976 -3.641 -5.504 1.00 0.00 H +ATOM 93 N TRP A 6 -2.070 -0.489 -1.486 1.00 0.00 N +ATOM 94 CA TRP A 6 -0.694 -0.725 -1.048 1.00 0.00 C +ATOM 95 C TRP A 6 -0.586 -1.880 -0.041 1.00 0.00 C +ATOM 96 O TRP A 6 0.293 -2.734 -0.172 1.00 0.00 O +ATOM 97 CB TRP A 6 -0.120 0.575 -0.487 1.00 0.00 C +ATOM 98 CG TRP A 6 1.275 0.460 0.036 1.00 0.00 C +ATOM 99 CD1 TRP A 6 2.391 0.368 -0.723 1.00 0.00 C +ATOM 100 CD2 TRP A 6 1.722 0.382 1.424 1.00 0.00 C +ATOM 101 NE1 TRP A 6 3.492 0.238 0.099 1.00 0.00 N +ATOM 102 CE2 TRP A 6 3.144 0.266 1.428 1.00 0.00 C +ATOM 103 CE3 TRP A 6 1.079 0.400 2.681 1.00 0.00 C +ATOM 104 CZ2 TRP A 6 3.896 0.202 2.607 1.00 0.00 C +ATOM 105 CZ3 TRP A 6 1.824 0.321 3.875 1.00 0.00 C +ATOM 106 CH2 TRP A 6 3.227 0.234 3.842 1.00 0.00 C +ATOM 107 H TRP A 6 -2.540 0.365 -1.212 1.00 0.00 H +ATOM 108 HA TRP A 6 -0.096 -1.008 -1.916 1.00 0.00 H +ATOM 109 HB2 TRP A 6 -0.125 1.309 -1.269 1.00 0.00 H +ATOM 110 HB3 TRP A 6 -0.758 0.938 0.318 1.00 0.00 H +ATOM 111 HD1 TRP A 6 2.415 0.380 -1.804 1.00 0.00 H +ATOM 112 HE1 TRP A 6 4.461 0.154 -0.221 1.00 0.00 H +ATOM 113 HE3 TRP A 6 0.002 0.485 2.724 1.00 0.00 H +ATOM 114 HZ2 TRP A 6 4.971 0.113 2.553 1.00 0.00 H +ATOM 115 HZ3 TRP A 6 1.315 0.339 4.828 1.00 0.00 H +ATOM 116 HH2 TRP A 6 3.787 0.188 4.764 1.00 0.00 H +ATOM 117 N LEU A 7 -1.509 -1.961 0.928 1.00 0.00 N +ATOM 118 CA LEU A 7 -1.576 -3.104 1.842 1.00 0.00 C +ATOM 119 C LEU A 7 -1.846 -4.428 1.109 1.00 0.00 C +ATOM 120 O LEU A 7 -1.246 -5.436 1.477 1.00 0.00 O +ATOM 121 CB LEU A 7 -2.635 -2.881 2.933 1.00 0.00 C +ATOM 122 CG LEU A 7 -2.340 -1.734 3.917 1.00 0.00 C +ATOM 123 CD1 LEU A 7 -3.514 -1.637 4.896 1.00 0.00 C +ATOM 124 CD2 LEU A 7 -1.050 -1.947 4.717 1.00 0.00 C +ATOM 125 H LEU A 7 -2.179 -1.199 1.017 1.00 0.00 H +ATOM 126 HA LEU A 7 -0.602 -3.218 2.316 1.00 0.00 H +ATOM 127 HB2 LEU A 7 -3.569 -2.670 2.449 1.00 0.00 H +ATOM 128 HB3 LEU A 7 -2.724 -3.804 3.508 1.00 0.00 H +ATOM 129 HG LEU A 7 -2.258 -0.794 3.378 1.00 0.00 H +ATOM 130 HD11 LEU A 7 -4.444 -1.501 4.345 1.00 0.00 H +ATOM 131 HD12 LEU A 7 -3.577 -2.544 5.497 1.00 0.00 H +ATOM 132 HD13 LEU A 7 -3.373 -0.786 5.557 1.00 0.00 H +ATOM 133 HD21 LEU A 7 -1.082 -2.901 5.242 1.00 0.00 H +ATOM 134 HD22 LEU A 7 -0.188 -1.932 4.050 1.00 0.00 H +ATOM 135 HD23 LEU A 7 -0.929 -1.141 5.440 1.00 0.00 H +ATOM 136 N LYS A 8 -2.690 -4.435 0.061 1.00 0.00 N +ATOM 137 CA LYS A 8 -2.971 -5.620 -0.774 1.00 0.00 C +ATOM 138 C LYS A 8 -1.703 -6.283 -1.322 1.00 0.00 C +ATOM 139 O LYS A 8 -1.660 -7.507 -1.400 1.00 0.00 O +ATOM 140 CB LYS A 8 -3.900 -5.260 -1.954 1.00 0.00 C +ATOM 141 CG LYS A 8 -5.270 -5.950 -1.934 1.00 0.00 C +ATOM 142 CD LYS A 8 -6.299 -5.296 -1.003 1.00 0.00 C +ATOM 143 CE LYS A 8 -6.225 -5.825 0.432 1.00 0.00 C +ATOM 144 NZ LYS A 8 -7.472 -5.522 1.173 1.00 0.00 N +ATOM 145 H LYS A 8 -3.165 -3.561 -0.155 1.00 0.00 H +ATOM 146 HA LYS A 8 -3.442 -6.380 -0.153 1.00 0.00 H +ATOM 147 HB2 LYS A 8 -4.061 -4.199 -1.939 1.00 0.00 H +ATOM 148 HB3 LYS A 8 -3.414 -5.561 -2.885 1.00 0.00 H +ATOM 149 HG2 LYS A 8 -5.666 -5.938 -2.931 1.00 0.00 H +ATOM 150 HG3 LYS A 8 -5.158 -7.008 -1.693 1.00 0.00 H +ATOM 151 HD2 LYS A 8 -6.123 -4.238 -0.987 1.00 0.00 H +ATOM 152 HD3 LYS A 8 -7.289 -5.514 -1.408 1.00 0.00 H +ATOM 153 HE2 LYS A 8 -6.080 -6.888 0.407 1.00 0.00 H +ATOM 154 HE3 LYS A 8 -5.360 -5.380 0.933 1.00 0.00 H +ATOM 155 HZ1 LYS A 8 -7.622 -4.522 1.214 1.00 0.00 H +ATOM 156 HZ2 LYS A 8 -8.262 -5.946 0.705 1.00 0.00 H +ATOM 157 HZ3 LYS A 8 -7.423 -5.889 2.114 1.00 0.00 H +ATOM 158 N ASP A 9 -0.697 -5.489 -1.696 1.00 0.00 N +ATOM 159 CA ASP A 9 0.578 -5.995 -2.210 1.00 0.00 C +ATOM 160 C ASP A 9 1.430 -6.676 -1.116 1.00 0.00 C +ATOM 161 O ASP A 9 2.217 -7.569 -1.419 1.00 0.00 O +ATOM 162 CB ASP A 9 1.320 -4.822 -2.871 1.00 0.00 C +ATOM 163 CG ASP A 9 2.419 -5.299 -3.819 1.00 0.00 C +ATOM 164 OD1 ASP A 9 3.520 -5.598 -3.301 1.00 0.00 O +ATOM 165 OD2 ASP A 9 2.157 -5.333 -5.040 1.00 0.00 O +ATOM 166 H ASP A 9 -0.826 -4.488 -1.630 1.00 0.00 H +ATOM 167 HA ASP A 9 0.373 -6.742 -2.979 1.00 0.00 H +ATOM 168 HB2 ASP A 9 0.614 -4.235 -3.427 1.00 0.00 H +ATOM 169 HB3 ASP A 9 1.750 -4.177 -2.102 1.00 0.00 H +ATOM 170 N GLY A 10 1.241 -6.295 0.157 1.00 0.00 N +ATOM 171 CA GLY A 10 2.072 -6.717 1.292 1.00 0.00 C +ATOM 172 C GLY A 10 2.600 -5.567 2.160 1.00 0.00 C +ATOM 173 O GLY A 10 3.329 -5.819 3.122 1.00 0.00 O +ATOM 174 H GLY A 10 0.439 -5.705 0.348 1.00 0.00 H +ATOM 175 HA2 GLY A 10 1.481 -7.376 1.928 1.00 0.00 H +ATOM 176 HA3 GLY A 10 2.933 -7.279 0.931 1.00 0.00 H +ATOM 177 N GLY A 11 2.242 -4.309 1.862 1.00 0.00 N +ATOM 178 CA GLY A 11 2.640 -3.145 2.653 1.00 0.00 C +ATOM 179 C GLY A 11 4.171 -3.021 2.779 1.00 0.00 C +ATOM 180 O GLY A 11 4.857 -3.010 1.755 1.00 0.00 O +ATOM 181 H GLY A 11 1.703 -4.147 1.019 1.00 0.00 H +ATOM 182 HA2 GLY A 11 2.262 -2.248 2.167 1.00 0.00 H +ATOM 183 HA3 GLY A 11 2.174 -3.222 3.633 1.00 0.00 H +ATOM 184 N PRO A 12 4.750 -2.936 3.998 1.00 0.00 N +ATOM 185 CA PRO A 12 6.203 -2.848 4.176 1.00 0.00 C +ATOM 186 C PRO A 12 6.986 -3.997 3.521 1.00 0.00 C +ATOM 187 O PRO A 12 8.127 -3.802 3.103 1.00 0.00 O +ATOM 188 CB PRO A 12 6.446 -2.831 5.690 1.00 0.00 C +ATOM 189 CG PRO A 12 5.113 -2.378 6.278 1.00 0.00 C +ATOM 190 CD PRO A 12 4.086 -2.931 5.293 1.00 0.00 C +ATOM 191 HA PRO A 12 6.548 -1.905 3.749 1.00 0.00 H +ATOM 192 HB2 PRO A 12 6.705 -3.810 6.045 1.00 0.00 H +ATOM 193 HB3 PRO A 12 7.253 -2.148 5.957 1.00 0.00 H +ATOM 194 HG2 PRO A 12 4.966 -2.790 7.258 1.00 0.00 H +ATOM 195 HG3 PRO A 12 5.066 -1.289 6.283 1.00 0.00 H +ATOM 196 HD2 PRO A 12 3.799 -3.927 5.571 1.00 0.00 H +ATOM 197 HD3 PRO A 12 3.196 -2.303 5.294 1.00 0.00 H +ATOM 198 N SER A 13 6.377 -5.184 3.397 1.00 0.00 N +ATOM 199 CA SER A 13 6.999 -6.365 2.789 1.00 0.00 C +ATOM 200 C SER A 13 7.090 -6.294 1.255 1.00 0.00 C +ATOM 201 O SER A 13 7.691 -7.181 0.653 1.00 0.00 O +ATOM 202 CB SER A 13 6.253 -7.630 3.234 1.00 0.00 C +ATOM 203 OG SER A 13 6.246 -7.721 4.648 1.00 0.00 O +ATOM 204 H SER A 13 5.417 -5.288 3.715 1.00 0.00 H +ATOM 205 HA SER A 13 8.023 -6.439 3.156 1.00 0.00 H +ATOM 206 HB2 SER A 13 5.242 -7.590 2.876 1.00 0.00 H +ATOM 207 HB3 SER A 13 6.749 -8.510 2.826 1.00 0.00 H +ATOM 208 HG SER A 13 7.152 -7.694 4.967 1.00 0.00 H +ATOM 209 N SER A 14 6.547 -5.244 0.623 1.00 0.00 N +ATOM 210 CA SER A 14 6.546 -5.037 -0.834 1.00 0.00 C +ATOM 211 C SER A 14 7.710 -4.195 -1.366 1.00 0.00 C +ATOM 212 O SER A 14 7.806 -3.980 -2.574 1.00 0.00 O +ATOM 213 CB SER A 14 5.255 -4.326 -1.232 1.00 0.00 C +ATOM 214 OG SER A 14 4.168 -5.191 -1.045 1.00 0.00 O +ATOM 215 H SER A 14 6.016 -4.575 1.174 1.00 0.00 H +ATOM 216 HA SER A 14 6.572 -6.003 -1.341 1.00 0.00 H +ATOM 217 HB2 SER A 14 5.126 -3.452 -0.623 1.00 0.00 H +ATOM 218 HB3 SER A 14 5.295 -4.054 -2.288 1.00 0.00 H +ATOM 219 HG SER A 14 3.879 -5.451 -2.001 1.00 0.00 H +ATOM 220 N GLY A 15 8.565 -3.636 -0.501 1.00 0.00 N +ATOM 221 CA GLY A 15 9.674 -2.757 -0.898 1.00 0.00 C +ATOM 222 C GLY A 15 9.253 -1.339 -1.324 1.00 0.00 C +ATOM 223 O GLY A 15 9.969 -0.382 -1.033 1.00 0.00 O +ATOM 224 H GLY A 15 8.424 -3.831 0.482 1.00 0.00 H +ATOM 225 HA2 GLY A 15 10.376 -2.674 -0.069 1.00 0.00 H +ATOM 226 HA3 GLY A 15 10.203 -3.214 -1.736 1.00 0.00 H +ATOM 227 N ARG A 16 8.102 -1.178 -1.996 1.00 0.00 N +ATOM 228 CA ARG A 16 7.531 0.125 -2.365 1.00 0.00 C +ATOM 229 C ARG A 16 6.961 0.857 -1.128 1.00 0.00 C +ATOM 230 O ARG A 16 6.215 0.232 -0.372 1.00 0.00 O +ATOM 231 CB ARG A 16 6.442 -0.081 -3.437 1.00 0.00 C +ATOM 232 CG ARG A 16 5.971 1.260 -4.018 1.00 0.00 C +ATOM 233 CD ARG A 16 4.982 1.094 -5.178 1.00 0.00 C +ATOM 234 NE ARG A 16 4.802 2.367 -5.907 1.00 0.00 N +ATOM 235 CZ ARG A 16 5.658 2.919 -6.763 1.00 0.00 C +ATOM 236 NH1 ARG A 16 6.787 2.331 -7.088 1.00 0.00 N +ATOM 237 NH2 ARG A 16 5.400 4.083 -7.311 1.00 0.00 N +ATOM 238 H ARG A 16 7.619 -2.035 -2.253 1.00 0.00 H +ATOM 239 HA ARG A 16 8.340 0.714 -2.794 1.00 0.00 H +ATOM 240 HB2 ARG A 16 6.841 -0.685 -4.229 1.00 0.00 H +ATOM 241 HB3 ARG A 16 5.593 -0.617 -3.009 1.00 0.00 H +ATOM 242 HG2 ARG A 16 5.493 1.822 -3.239 1.00 0.00 H +ATOM 243 HG3 ARG A 16 6.844 1.801 -4.375 1.00 0.00 H +ATOM 244 HD2 ARG A 16 5.357 0.352 -5.856 1.00 0.00 H +ATOM 245 HD3 ARG A 16 4.021 0.765 -4.779 1.00 0.00 H +ATOM 246 HE ARG A 16 3.960 2.882 -5.711 1.00 0.00 H +ATOM 247 HH11 ARG A 16 6.987 1.438 -6.674 1.00 0.00 H +ATOM 248 HH12 ARG A 16 7.437 2.753 -7.728 1.00 0.00 H +ATOM 249 HH21 ARG A 16 4.551 4.572 -7.091 1.00 0.00 H +ATOM 250 HH22 ARG A 16 6.056 4.492 -7.951 1.00 0.00 H +ATOM 251 N PRO A 17 7.229 2.166 -0.931 1.00 0.00 N +ATOM 252 CA PRO A 17 6.645 2.952 0.164 1.00 0.00 C +ATOM 253 C PRO A 17 5.124 3.174 0.002 1.00 0.00 C +ATOM 254 O PRO A 17 4.593 2.997 -1.099 1.00 0.00 O +ATOM 255 CB PRO A 17 7.407 4.284 0.146 1.00 0.00 C +ATOM 256 CG PRO A 17 7.816 4.441 -1.315 1.00 0.00 C +ATOM 257 CD PRO A 17 8.118 3.003 -1.727 1.00 0.00 C +ATOM 258 HA PRO A 17 6.829 2.440 1.109 1.00 0.00 H +ATOM 259 HB2 PRO A 17 6.773 5.093 0.456 1.00 0.00 H +ATOM 260 HB3 PRO A 17 8.301 4.200 0.766 1.00 0.00 H +ATOM 261 HG2 PRO A 17 7.016 4.853 -1.900 1.00 0.00 H +ATOM 262 HG3 PRO A 17 8.685 5.087 -1.430 1.00 0.00 H +ATOM 263 HD2 PRO A 17 7.923 2.865 -2.773 1.00 0.00 H +ATOM 264 HD3 PRO A 17 9.154 2.758 -1.485 1.00 0.00 H +ATOM 265 N PRO A 18 4.413 3.584 1.073 1.00 0.00 N +ATOM 266 CA PRO A 18 2.970 3.822 1.030 1.00 0.00 C +ATOM 267 C PRO A 18 2.594 5.069 0.201 1.00 0.00 C +ATOM 268 O PRO A 18 3.394 5.998 0.089 1.00 0.00 O +ATOM 269 CB PRO A 18 2.538 3.970 2.492 1.00 0.00 C +ATOM 270 CG PRO A 18 3.794 4.489 3.188 1.00 0.00 C +ATOM 271 CD PRO A 18 4.918 3.789 2.425 1.00 0.00 C +ATOM 272 HA PRO A 18 2.489 2.946 0.603 1.00 0.00 H +ATOM 273 HB2 PRO A 18 1.732 4.672 2.584 1.00 0.00 H +ATOM 274 HB3 PRO A 18 2.286 2.991 2.895 1.00 0.00 H +ATOM 275 HG2 PRO A 18 3.872 5.555 3.099 1.00 0.00 H +ATOM 276 HG3 PRO A 18 3.805 4.232 4.248 1.00 0.00 H +ATOM 277 HD2 PRO A 18 5.797 4.405 2.406 1.00 0.00 H +ATOM 278 HD3 PRO A 18 5.127 2.823 2.884 1.00 0.00 H +ATOM 279 N PRO A 19 1.367 5.119 -0.360 1.00 0.00 N +ATOM 280 CA PRO A 19 0.902 6.218 -1.210 1.00 0.00 C +ATOM 281 C PRO A 19 0.393 7.441 -0.434 1.00 0.00 C +ATOM 282 O PRO A 19 0.376 8.539 -0.986 1.00 0.00 O +ATOM 283 CB PRO A 19 -0.244 5.614 -2.031 1.00 0.00 C +ATOM 284 CG PRO A 19 -0.838 4.567 -1.088 1.00 0.00 C +ATOM 285 CD PRO A 19 0.396 4.036 -0.365 1.00 0.00 C +ATOM 286 HA PRO A 19 1.700 6.542 -1.881 1.00 0.00 H +ATOM 287 HB2 PRO A 19 -0.972 6.361 -2.283 1.00 0.00 H +ATOM 288 HB3 PRO A 19 0.161 5.121 -2.915 1.00 0.00 H +ATOM 289 HG2 PRO A 19 -1.529 5.013 -0.399 1.00 0.00 H +ATOM 290 HG3 PRO A 19 -1.356 3.777 -1.634 1.00 0.00 H +ATOM 291 HD2 PRO A 19 0.146 3.757 0.640 1.00 0.00 H +ATOM 292 HD3 PRO A 19 0.819 3.209 -0.930 1.00 0.00 H +ATOM 293 N SER A 20 -0.071 7.250 0.808 1.00 0.00 N +ATOM 294 CA SER A 20 -0.627 8.275 1.694 1.00 0.00 C +ATOM 295 C SER A 20 -0.615 7.810 3.147 1.00 0.00 C +ATOM 296 O SER A 20 -0.310 6.619 3.378 1.00 0.00 O +ATOM 297 CB SER A 20 -2.071 8.593 1.302 1.00 0.00 C +ATOM 298 OG SER A 20 -2.519 9.564 2.220 1.00 0.00 O +ATOM 299 OXT SER A 20 -1.045 8.668 3.958 1.00 0.00 O +ATOM 300 H SER A 20 0.027 6.343 1.249 1.00 0.00 H +ATOM 301 HA SER A 20 -0.028 9.183 1.627 1.00 0.00 H +ATOM 302 HB2 SER A 20 -2.109 8.980 0.302 1.00 0.00 H +ATOM 303 HB3 SER A 20 -2.678 7.692 1.404 1.00 0.00 H +ATOM 304 HG SER A 20 -1.976 9.352 3.052 1.00 0.00 H +TER 305 SER A 20 +ENDMDL +MODEL 27 +ATOM 1 N ASN A 1 -6.891 7.053 0.882 1.00 0.00 N +ATOM 2 CA ASN A 1 -7.783 6.096 0.185 1.00 0.00 C +ATOM 3 C ASN A 1 -7.000 4.934 -0.439 1.00 0.00 C +ATOM 4 O ASN A 1 -7.252 3.795 -0.069 1.00 0.00 O +ATOM 5 CB ASN A 1 -8.741 6.795 -0.802 1.00 0.00 C +ATOM 6 CG ASN A 1 -10.186 6.423 -0.481 1.00 0.00 C +ATOM 7 OD1 ASN A 1 -10.742 5.509 -1.060 1.00 0.00 O +ATOM 8 ND2 ASN A 1 -10.818 7.078 0.477 1.00 0.00 N +ATOM 9 H1 ASN A 1 -6.270 6.561 1.512 1.00 0.00 H +ATOM 10 H2 ASN A 1 -6.341 7.576 0.215 1.00 0.00 H +ATOM 11 H3 ASN A 1 -7.442 7.704 1.424 1.00 0.00 H +ATOM 12 HA ASN A 1 -8.409 5.625 0.947 1.00 0.00 H +ATOM 13 HB2 ASN A 1 -8.621 7.858 -0.720 1.00 0.00 H +ATOM 14 HB3 ASN A 1 -8.526 6.488 -1.827 1.00 0.00 H +ATOM 15 HD21 ASN A 1 -10.460 7.874 0.978 1.00 0.00 H +ATOM 16 HD22 ASN A 1 -11.767 6.760 0.616 1.00 0.00 H +ATOM 17 N LEU A 2 -6.006 5.194 -1.304 1.00 0.00 N +ATOM 18 CA LEU A 2 -5.176 4.163 -1.955 1.00 0.00 C +ATOM 19 C LEU A 2 -4.381 3.236 -1.006 1.00 0.00 C +ATOM 20 O LEU A 2 -3.851 2.217 -1.451 1.00 0.00 O +ATOM 21 CB LEU A 2 -4.228 4.849 -2.968 1.00 0.00 C +ATOM 22 CG LEU A 2 -4.572 4.553 -4.446 1.00 0.00 C +ATOM 23 CD1 LEU A 2 -4.888 5.843 -5.207 1.00 0.00 C +ATOM 24 CD2 LEU A 2 -3.420 3.823 -5.139 1.00 0.00 C +ATOM 25 H LEU A 2 -5.840 6.139 -1.619 1.00 0.00 H +ATOM 26 HA LEU A 2 -5.853 3.499 -2.494 1.00 0.00 H +ATOM 27 HB2 LEU A 2 -4.280 5.910 -2.815 1.00 0.00 H +ATOM 28 HB3 LEU A 2 -3.207 4.517 -2.778 1.00 0.00 H +ATOM 29 HG LEU A 2 -5.453 3.919 -4.507 1.00 0.00 H +ATOM 30 HD11 LEU A 2 -5.757 6.328 -4.763 1.00 0.00 H +ATOM 31 HD12 LEU A 2 -4.034 6.520 -5.172 1.00 0.00 H +ATOM 32 HD13 LEU A 2 -5.113 5.608 -6.248 1.00 0.00 H +ATOM 33 HD21 LEU A 2 -2.521 4.441 -5.130 1.00 0.00 H +ATOM 34 HD22 LEU A 2 -3.217 2.884 -4.623 1.00 0.00 H +ATOM 35 HD23 LEU A 2 -3.691 3.600 -6.170 1.00 0.00 H +ATOM 36 N TYR A 3 -4.322 3.538 0.295 1.00 0.00 N +ATOM 37 CA TYR A 3 -3.630 2.739 1.309 1.00 0.00 C +ATOM 38 C TYR A 3 -4.063 1.261 1.312 1.00 0.00 C +ATOM 39 O TYR A 3 -3.226 0.377 1.478 1.00 0.00 O +ATOM 40 CB TYR A 3 -3.838 3.395 2.684 1.00 0.00 C +ATOM 41 CG TYR A 3 -2.746 3.070 3.682 1.00 0.00 C +ATOM 42 CD1 TYR A 3 -1.555 3.822 3.668 1.00 0.00 C +ATOM 43 CD2 TYR A 3 -2.916 2.041 4.628 1.00 0.00 C +ATOM 44 CE1 TYR A 3 -0.528 3.543 4.588 1.00 0.00 C +ATOM 45 CE2 TYR A 3 -1.889 1.757 5.549 1.00 0.00 C +ATOM 46 CZ TYR A 3 -0.690 2.503 5.526 1.00 0.00 C +ATOM 47 OH TYR A 3 0.302 2.210 6.407 1.00 0.00 O +ATOM 48 H TYR A 3 -4.782 4.379 0.596 1.00 0.00 H +ATOM 49 HA TYR A 3 -2.564 2.767 1.081 1.00 0.00 H +ATOM 50 HB2 TYR A 3 -3.870 4.459 2.551 1.00 0.00 H +ATOM 51 HB3 TYR A 3 -4.808 3.100 3.087 1.00 0.00 H +ATOM 52 HD1 TYR A 3 -1.427 4.632 2.963 1.00 0.00 H +ATOM 53 HD2 TYR A 3 -3.834 1.470 4.653 1.00 0.00 H +ATOM 54 HE1 TYR A 3 0.367 4.148 4.584 1.00 0.00 H +ATOM 55 HE2 TYR A 3 -1.998 0.980 6.291 1.00 0.00 H +ATOM 56 HH TYR A 3 1.068 2.771 6.272 1.00 0.00 H +ATOM 57 N ILE A 4 -5.351 0.975 1.056 1.00 0.00 N +ATOM 58 CA ILE A 4 -5.888 -0.395 0.981 1.00 0.00 C +ATOM 59 C ILE A 4 -5.258 -1.202 -0.170 1.00 0.00 C +ATOM 60 O ILE A 4 -5.000 -2.397 -0.010 1.00 0.00 O +ATOM 61 CB ILE A 4 -7.431 -0.365 0.840 1.00 0.00 C +ATOM 62 CG1 ILE A 4 -8.123 0.422 1.988 1.00 0.00 C +ATOM 63 CG2 ILE A 4 -8.009 -1.791 0.799 1.00 0.00 C +ATOM 64 CD1 ILE A 4 -8.974 1.614 1.515 1.00 0.00 C +ATOM 65 H ILE A 4 -5.981 1.754 0.908 1.00 0.00 H +ATOM 66 HA ILE A 4 -5.641 -0.909 1.910 1.00 0.00 H +ATOM 67 HB ILE A 4 -7.663 0.104 -0.117 1.00 0.00 H +ATOM 68 HG12 ILE A 4 -8.761 -0.255 2.523 1.00 0.00 H +ATOM 69 HG13 ILE A 4 -7.383 0.790 2.700 1.00 0.00 H +ATOM 70 HG21 ILE A 4 -7.689 -2.299 -0.111 1.00 0.00 H +ATOM 71 HG22 ILE A 4 -7.678 -2.350 1.677 1.00 0.00 H +ATOM 72 HG23 ILE A 4 -9.099 -1.748 0.791 1.00 0.00 H +ATOM 73 HD11 ILE A 4 -8.549 2.540 1.901 1.00 0.00 H +ATOM 74 HD12 ILE A 4 -9.023 1.674 0.427 1.00 0.00 H +ATOM 75 HD13 ILE A 4 -9.990 1.511 1.898 1.00 0.00 H +ATOM 76 N GLN A 5 -5.008 -0.559 -1.320 1.00 0.00 N +ATOM 77 CA GLN A 5 -4.326 -1.156 -2.473 1.00 0.00 C +ATOM 78 C GLN A 5 -2.853 -1.433 -2.147 1.00 0.00 C +ATOM 79 O GLN A 5 -2.377 -2.543 -2.369 1.00 0.00 O +ATOM 80 CB GLN A 5 -4.472 -0.240 -3.703 1.00 0.00 C +ATOM 81 CG GLN A 5 -5.830 -0.425 -4.399 1.00 0.00 C +ATOM 82 CD GLN A 5 -6.178 0.770 -5.279 1.00 0.00 C +ATOM 83 OE1 GLN A 5 -5.720 0.909 -6.400 1.00 0.00 O +ATOM 84 NE2 GLN A 5 -7.002 1.685 -4.804 1.00 0.00 N +ATOM 85 H GLN A 5 -5.155 0.443 -1.336 1.00 0.00 H +ATOM 86 HA GLN A 5 -4.787 -2.118 -2.705 1.00 0.00 H +ATOM 87 HB2 GLN A 5 -4.380 0.781 -3.387 1.00 0.00 H +ATOM 88 HB3 GLN A 5 -3.684 -0.462 -4.425 1.00 0.00 H +ATOM 89 HG2 GLN A 5 -5.791 -1.307 -5.009 1.00 0.00 H +ATOM 90 HG3 GLN A 5 -6.617 -0.559 -3.656 1.00 0.00 H +ATOM 91 HE21 GLN A 5 -7.431 1.614 -3.898 1.00 0.00 H +ATOM 92 HE22 GLN A 5 -7.199 2.423 -5.458 1.00 0.00 H +ATOM 93 N TRP A 6 -2.147 -0.465 -1.550 1.00 0.00 N +ATOM 94 CA TRP A 6 -0.764 -0.655 -1.100 1.00 0.00 C +ATOM 95 C TRP A 6 -0.620 -1.767 -0.046 1.00 0.00 C +ATOM 96 O TRP A 6 0.292 -2.590 -0.131 1.00 0.00 O +ATOM 97 CB TRP A 6 -0.223 0.670 -0.570 1.00 0.00 C +ATOM 98 CG TRP A 6 1.164 0.588 -0.013 1.00 0.00 C +ATOM 99 CD1 TRP A 6 2.300 0.553 -0.745 1.00 0.00 C +ATOM 100 CD2 TRP A 6 1.583 0.484 1.384 1.00 0.00 C +ATOM 101 NE1 TRP A 6 3.385 0.445 0.101 1.00 0.00 N +ATOM 102 CE2 TRP A 6 3.006 0.404 1.417 1.00 0.00 C +ATOM 103 CE3 TRP A 6 0.917 0.446 2.628 1.00 0.00 C +ATOM 104 CZ2 TRP A 6 3.739 0.321 2.605 1.00 0.00 C +ATOM 105 CZ3 TRP A 6 1.641 0.345 3.833 1.00 0.00 C +ATOM 106 CH2 TRP A 6 3.047 0.297 3.825 1.00 0.00 C +ATOM 107 H TRP A 6 -2.601 0.431 -1.402 1.00 0.00 H +ATOM 108 HA TRP A 6 -0.156 -0.955 -1.957 1.00 0.00 H +ATOM 109 HB2 TRP A 6 -0.221 1.379 -1.376 1.00 0.00 H +ATOM 110 HB3 TRP A 6 -0.886 1.043 0.211 1.00 0.00 H +ATOM 111 HD1 TRP A 6 2.343 0.604 -1.827 1.00 0.00 H +ATOM 112 HE1 TRP A 6 4.363 0.430 -0.184 1.00 0.00 H +ATOM 113 HE3 TRP A 6 -0.163 0.502 2.652 1.00 0.00 H +ATOM 114 HZ2 TRP A 6 4.818 0.270 2.567 1.00 0.00 H +ATOM 115 HZ3 TRP A 6 1.113 0.309 4.774 1.00 0.00 H +ATOM 116 HH2 TRP A 6 3.594 0.239 4.756 1.00 0.00 H +ATOM 117 N LEU A 7 -1.538 -1.844 0.927 1.00 0.00 N +ATOM 118 CA LEU A 7 -1.586 -2.971 1.862 1.00 0.00 C +ATOM 119 C LEU A 7 -1.803 -4.308 1.137 1.00 0.00 C +ATOM 120 O LEU A 7 -1.174 -5.298 1.515 1.00 0.00 O +ATOM 121 CB LEU A 7 -2.666 -2.743 2.930 1.00 0.00 C +ATOM 122 CG LEU A 7 -2.317 -1.692 4.002 1.00 0.00 C +ATOM 123 CD1 LEU A 7 -3.510 -1.571 4.957 1.00 0.00 C +ATOM 124 CD2 LEU A 7 -1.074 -2.069 4.817 1.00 0.00 C +ATOM 125 H LEU A 7 -2.228 -1.098 1.006 1.00 0.00 H +ATOM 126 HA LEU A 7 -0.615 -3.051 2.349 1.00 0.00 H +ATOM 127 HB2 LEU A 7 -3.562 -2.425 2.433 1.00 0.00 H +ATOM 128 HB3 LEU A 7 -2.847 -3.693 3.438 1.00 0.00 H +ATOM 129 HG LEU A 7 -2.144 -0.726 3.537 1.00 0.00 H +ATOM 130 HD11 LEU A 7 -4.393 -1.251 4.403 1.00 0.00 H +ATOM 131 HD12 LEU A 7 -3.709 -2.532 5.432 1.00 0.00 H +ATOM 132 HD13 LEU A 7 -3.298 -0.838 5.731 1.00 0.00 H +ATOM 133 HD21 LEU A 7 -1.167 -3.087 5.199 1.00 0.00 H +ATOM 134 HD22 LEU A 7 -0.183 -1.995 4.196 1.00 0.00 H +ATOM 135 HD23 LEU A 7 -0.956 -1.382 5.655 1.00 0.00 H +ATOM 136 N LYS A 8 -2.624 -4.342 0.073 1.00 0.00 N +ATOM 137 CA LYS A 8 -2.837 -5.530 -0.770 1.00 0.00 C +ATOM 138 C LYS A 8 -1.539 -6.072 -1.384 1.00 0.00 C +ATOM 139 O LYS A 8 -1.398 -7.286 -1.490 1.00 0.00 O +ATOM 140 CB LYS A 8 -3.851 -5.224 -1.892 1.00 0.00 C +ATOM 141 CG LYS A 8 -4.867 -6.357 -2.133 1.00 0.00 C +ATOM 142 CD LYS A 8 -6.241 -6.033 -1.528 1.00 0.00 C +ATOM 143 CE LYS A 8 -6.193 -5.982 0.004 1.00 0.00 C +ATOM 144 NZ LYS A 8 -7.398 -5.322 0.557 1.00 0.00 N +ATOM 145 H LYS A 8 -3.095 -3.479 -0.180 1.00 0.00 H +ATOM 146 HA LYS A 8 -3.224 -6.323 -0.132 1.00 0.00 H +ATOM 147 HB2 LYS A 8 -4.391 -4.335 -1.628 1.00 0.00 H +ATOM 148 HB3 LYS A 8 -3.307 -5.048 -2.822 1.00 0.00 H +ATOM 149 HG2 LYS A 8 -4.979 -6.503 -3.190 1.00 0.00 H +ATOM 150 HG3 LYS A 8 -4.495 -7.304 -1.740 1.00 0.00 H +ATOM 151 HD2 LYS A 8 -6.567 -5.079 -1.897 1.00 0.00 H +ATOM 152 HD3 LYS A 8 -6.954 -6.797 -1.840 1.00 0.00 H +ATOM 153 HE2 LYS A 8 -6.136 -6.983 0.386 1.00 0.00 H +ATOM 154 HE3 LYS A 8 -5.303 -5.427 0.313 1.00 0.00 H +ATOM 155 HZ1 LYS A 8 -7.411 -4.352 0.270 1.00 0.00 H +ATOM 156 HZ2 LYS A 8 -8.235 -5.778 0.219 1.00 0.00 H +ATOM 157 HZ3 LYS A 8 -7.387 -5.360 1.567 1.00 0.00 H +ATOM 158 N ASP A 9 -0.586 -5.196 -1.733 1.00 0.00 N +ATOM 159 CA ASP A 9 0.742 -5.596 -2.224 1.00 0.00 C +ATOM 160 C ASP A 9 1.596 -6.294 -1.144 1.00 0.00 C +ATOM 161 O ASP A 9 2.602 -6.919 -1.489 1.00 0.00 O +ATOM 162 CB ASP A 9 1.544 -4.384 -2.750 1.00 0.00 C +ATOM 163 CG ASP A 9 0.978 -3.644 -3.968 1.00 0.00 C +ATOM 164 OD1 ASP A 9 0.247 -4.280 -4.760 1.00 0.00 O +ATOM 165 OD2 ASP A 9 1.381 -2.472 -4.162 1.00 0.00 O +ATOM 166 H ASP A 9 -0.811 -4.209 -1.663 1.00 0.00 H +ATOM 167 HA ASP A 9 0.611 -6.302 -3.046 1.00 0.00 H +ATOM 168 HB2 ASP A 9 1.620 -3.675 -1.948 1.00 0.00 H +ATOM 169 HB3 ASP A 9 2.528 -4.743 -3.048 1.00 0.00 H +ATOM 170 N GLY A 10 1.242 -6.171 0.145 1.00 0.00 N +ATOM 171 CA GLY A 10 2.030 -6.642 1.290 1.00 0.00 C +ATOM 172 C GLY A 10 2.603 -5.520 2.168 1.00 0.00 C +ATOM 173 O GLY A 10 3.419 -5.803 3.047 1.00 0.00 O +ATOM 174 H GLY A 10 0.348 -5.733 0.351 1.00 0.00 H +ATOM 175 HA2 GLY A 10 1.391 -7.260 1.920 1.00 0.00 H +ATOM 176 HA3 GLY A 10 2.859 -7.262 0.950 1.00 0.00 H +ATOM 177 N GLY A 11 2.213 -4.255 1.949 1.00 0.00 N +ATOM 178 CA GLY A 11 2.700 -3.121 2.734 1.00 0.00 C +ATOM 179 C GLY A 11 4.238 -3.008 2.707 1.00 0.00 C +ATOM 180 O GLY A 11 4.830 -3.106 1.626 1.00 0.00 O +ATOM 181 H GLY A 11 1.566 -4.066 1.192 1.00 0.00 H +ATOM 182 HA2 GLY A 11 2.278 -2.203 2.330 1.00 0.00 H +ATOM 183 HA3 GLY A 11 2.340 -3.242 3.755 1.00 0.00 H +ATOM 184 N PRO A 12 4.916 -2.815 3.863 1.00 0.00 N +ATOM 185 CA PRO A 12 6.378 -2.719 3.922 1.00 0.00 C +ATOM 186 C PRO A 12 7.104 -3.938 3.329 1.00 0.00 C +ATOM 187 O PRO A 12 8.203 -3.799 2.793 1.00 0.00 O +ATOM 188 CB PRO A 12 6.739 -2.555 5.405 1.00 0.00 C +ATOM 189 CG PRO A 12 5.447 -2.080 6.062 1.00 0.00 C +ATOM 190 CD PRO A 12 4.360 -2.729 5.208 1.00 0.00 C +ATOM 191 HA PRO A 12 6.689 -1.827 3.377 1.00 0.00 H +ATOM 192 HB2 PRO A 12 7.056 -3.491 5.824 1.00 0.00 H +ATOM 193 HB3 PRO A 12 7.544 -1.832 5.542 1.00 0.00 H +ATOM 194 HG2 PRO A 12 5.388 -2.415 7.080 1.00 0.00 H +ATOM 195 HG3 PRO A 12 5.375 -0.995 5.986 1.00 0.00 H +ATOM 196 HD2 PRO A 12 4.126 -3.708 5.580 1.00 0.00 H +ATOM 197 HD3 PRO A 12 3.453 -2.129 5.244 1.00 0.00 H +ATOM 198 N SER A 13 6.487 -5.126 3.383 1.00 0.00 N +ATOM 199 CA SER A 13 7.062 -6.391 2.910 1.00 0.00 C +ATOM 200 C SER A 13 7.106 -6.523 1.380 1.00 0.00 C +ATOM 201 O SER A 13 7.528 -7.564 0.882 1.00 0.00 O +ATOM 202 CB SER A 13 6.294 -7.570 3.525 1.00 0.00 C +ATOM 203 OG SER A 13 6.273 -7.463 4.938 1.00 0.00 O +ATOM 204 H SER A 13 5.554 -5.180 3.780 1.00 0.00 H +ATOM 205 HA SER A 13 8.093 -6.447 3.259 1.00 0.00 H +ATOM 206 HB2 SER A 13 5.287 -7.567 3.155 1.00 0.00 H +ATOM 207 HB3 SER A 13 6.781 -8.506 3.247 1.00 0.00 H +ATOM 208 HG SER A 13 7.175 -7.487 5.266 1.00 0.00 H +ATOM 209 N SER A 14 6.699 -5.485 0.633 1.00 0.00 N +ATOM 210 CA SER A 14 6.610 -5.482 -0.834 1.00 0.00 C +ATOM 211 C SER A 14 7.584 -4.502 -1.514 1.00 0.00 C +ATOM 212 O SER A 14 7.442 -4.206 -2.702 1.00 0.00 O +ATOM 213 CB SER A 14 5.155 -5.226 -1.232 1.00 0.00 C +ATOM 214 OG SER A 14 4.800 -6.039 -2.327 1.00 0.00 O +ATOM 215 H SER A 14 6.332 -4.681 1.131 1.00 0.00 H +ATOM 216 HA SER A 14 6.872 -6.476 -1.198 1.00 0.00 H +ATOM 217 HB2 SER A 14 4.515 -5.452 -0.401 1.00 0.00 H +ATOM 218 HB3 SER A 14 4.998 -4.181 -1.482 1.00 0.00 H +ATOM 219 HG SER A 14 3.937 -6.470 -2.076 1.00 0.00 H +ATOM 220 N GLY A 15 8.565 -3.977 -0.761 1.00 0.00 N +ATOM 221 CA GLY A 15 9.672 -3.163 -1.282 1.00 0.00 C +ATOM 222 C GLY A 15 9.268 -1.785 -1.820 1.00 0.00 C +ATOM 223 O GLY A 15 9.964 -1.240 -2.674 1.00 0.00 O +ATOM 224 H GLY A 15 8.599 -4.262 0.210 1.00 0.00 H +ATOM 225 HA2 GLY A 15 10.403 -3.009 -0.487 1.00 0.00 H +ATOM 226 HA3 GLY A 15 10.168 -3.709 -2.087 1.00 0.00 H +ATOM 227 N ARG A 16 8.140 -1.233 -1.349 1.00 0.00 N +ATOM 228 CA ARG A 16 7.498 -0.025 -1.884 1.00 0.00 C +ATOM 229 C ARG A 16 6.929 0.860 -0.758 1.00 0.00 C +ATOM 230 O ARG A 16 6.271 0.329 0.139 1.00 0.00 O +ATOM 231 CB ARG A 16 6.407 -0.441 -2.895 1.00 0.00 C +ATOM 232 CG ARG A 16 5.361 -1.404 -2.301 1.00 0.00 C +ATOM 233 CD ARG A 16 4.279 -1.827 -3.291 1.00 0.00 C +ATOM 234 NE ARG A 16 4.779 -2.819 -4.260 1.00 0.00 N +ATOM 235 CZ ARG A 16 4.349 -2.952 -5.509 1.00 0.00 C +ATOM 236 NH1 ARG A 16 3.327 -2.269 -5.969 1.00 0.00 N +ATOM 237 NH2 ARG A 16 4.939 -3.800 -6.319 1.00 0.00 N +ATOM 238 H ARG A 16 7.655 -1.742 -0.622 1.00 0.00 H +ATOM 239 HA ARG A 16 8.255 0.540 -2.429 1.00 0.00 H +ATOM 240 HB2 ARG A 16 5.902 0.443 -3.234 1.00 0.00 H +ATOM 241 HB3 ARG A 16 6.890 -0.927 -3.745 1.00 0.00 H +ATOM 242 HG2 ARG A 16 5.869 -2.285 -1.958 1.00 0.00 H +ATOM 243 HG3 ARG A 16 4.860 -0.926 -1.472 1.00 0.00 H +ATOM 244 HD2 ARG A 16 3.459 -2.256 -2.747 1.00 0.00 H +ATOM 245 HD3 ARG A 16 3.903 -0.939 -3.800 1.00 0.00 H +ATOM 246 HE ARG A 16 5.524 -3.428 -3.947 1.00 0.00 H +ATOM 247 HH11 ARG A 16 2.617 -2.056 -5.244 1.00 0.00 H +ATOM 248 HH12 ARG A 16 3.019 -2.337 -6.918 1.00 0.00 H +ATOM 249 HH21 ARG A 16 5.659 -4.401 -5.958 1.00 0.00 H +ATOM 250 HH22 ARG A 16 4.587 -3.922 -7.250 1.00 0.00 H +ATOM 251 N PRO A 17 7.128 2.192 -0.787 1.00 0.00 N +ATOM 252 CA PRO A 17 6.585 3.097 0.228 1.00 0.00 C +ATOM 253 C PRO A 17 5.060 3.276 0.076 1.00 0.00 C +ATOM 254 O PRO A 17 4.523 3.016 -1.003 1.00 0.00 O +ATOM 255 CB PRO A 17 7.327 4.419 0.005 1.00 0.00 C +ATOM 256 CG PRO A 17 7.594 4.418 -1.499 1.00 0.00 C +ATOM 257 CD PRO A 17 7.848 2.945 -1.807 1.00 0.00 C +ATOM 258 HA PRO A 17 6.811 2.711 1.221 1.00 0.00 H +ATOM 259 HB2 PRO A 17 6.717 5.255 0.287 1.00 0.00 H +ATOM 260 HB3 PRO A 17 8.275 4.397 0.543 1.00 0.00 H +ATOM 261 HG2 PRO A 17 6.743 4.783 -2.041 1.00 0.00 H +ATOM 262 HG3 PRO A 17 8.452 5.039 -1.758 1.00 0.00 H +ATOM 263 HD2 PRO A 17 7.478 2.699 -2.783 1.00 0.00 H +ATOM 264 HD3 PRO A 17 8.915 2.731 -1.732 1.00 0.00 H +ATOM 265 N PRO A 18 4.352 3.730 1.131 1.00 0.00 N +ATOM 266 CA PRO A 18 2.910 3.955 1.082 1.00 0.00 C +ATOM 267 C PRO A 18 2.524 5.163 0.203 1.00 0.00 C +ATOM 268 O PRO A 18 3.330 6.074 0.016 1.00 0.00 O +ATOM 269 CB PRO A 18 2.481 4.156 2.540 1.00 0.00 C +ATOM 270 CG PRO A 18 3.734 4.715 3.207 1.00 0.00 C +ATOM 271 CD PRO A 18 4.864 4.002 2.467 1.00 0.00 C +ATOM 272 HA PRO A 18 2.431 3.060 0.690 1.00 0.00 H +ATOM 273 HB2 PRO A 18 1.667 4.852 2.608 1.00 0.00 H +ATOM 274 HB3 PRO A 18 2.235 3.190 2.981 1.00 0.00 H +ATOM 275 HG2 PRO A 18 3.798 5.778 3.077 1.00 0.00 H +ATOM 276 HG3 PRO A 18 3.753 4.504 4.277 1.00 0.00 H +ATOM 277 HD2 PRO A 18 5.732 4.631 2.414 1.00 0.00 H +ATOM 278 HD3 PRO A 18 5.090 3.058 2.966 1.00 0.00 H +ATOM 279 N PRO A 19 1.275 5.206 -0.306 1.00 0.00 N +ATOM 280 CA PRO A 19 0.771 6.284 -1.164 1.00 0.00 C +ATOM 281 C PRO A 19 0.330 7.537 -0.389 1.00 0.00 C +ATOM 282 O PRO A 19 0.160 8.598 -0.988 1.00 0.00 O +ATOM 283 CB PRO A 19 -0.429 5.664 -1.889 1.00 0.00 C +ATOM 284 CG PRO A 19 -0.979 4.669 -0.864 1.00 0.00 C +ATOM 285 CD PRO A 19 0.284 4.149 -0.189 1.00 0.00 C +ATOM 286 HA PRO A 19 1.528 6.574 -1.894 1.00 0.00 H +ATOM 287 HB2 PRO A 19 -1.160 6.411 -2.131 1.00 0.00 H +ATOM 288 HB3 PRO A 19 -0.083 5.121 -2.771 1.00 0.00 H +ATOM 289 HG2 PRO A 19 -1.622 5.157 -0.157 1.00 0.00 H +ATOM 290 HG3 PRO A 19 -1.531 3.860 -1.339 1.00 0.00 H +ATOM 291 HD2 PRO A 19 0.091 3.933 0.844 1.00 0.00 H +ATOM 292 HD3 PRO A 19 0.650 3.279 -0.729 1.00 0.00 H +ATOM 293 N SER A 20 0.116 7.403 0.925 1.00 0.00 N +ATOM 294 CA SER A 20 -0.336 8.429 1.868 1.00 0.00 C +ATOM 295 C SER A 20 0.288 8.158 3.235 1.00 0.00 C +ATOM 296 O SER A 20 1.091 8.990 3.697 1.00 0.00 O +ATOM 297 CB SER A 20 -1.868 8.401 1.974 1.00 0.00 C +ATOM 298 OG SER A 20 -2.214 7.177 2.590 1.00 0.00 O +ATOM 299 OXT SER A 20 -0.112 7.093 3.776 1.00 0.00 O +ATOM 300 H SER A 20 0.272 6.489 1.323 1.00 0.00 H +ATOM 301 HA SER A 20 -0.007 9.414 1.535 1.00 0.00 H +ATOM 302 HB2 SER A 20 -2.212 9.224 2.570 1.00 0.00 H +ATOM 303 HB3 SER A 20 -2.324 8.479 0.986 1.00 0.00 H +ATOM 304 HG SER A 20 -1.394 7.015 3.184 1.00 0.00 H +TER 305 SER A 20 +ENDMDL +MODEL 28 +ATOM 1 N ASN A 1 -4.637 8.314 0.281 1.00 0.00 N +ATOM 2 CA ASN A 1 -5.414 7.451 -0.654 1.00 0.00 C +ATOM 3 C ASN A 1 -4.552 6.258 -1.103 1.00 0.00 C +ATOM 4 O ASN A 1 -3.410 6.182 -0.671 1.00 0.00 O +ATOM 5 CB ASN A 1 -5.986 8.274 -1.830 1.00 0.00 C +ATOM 6 CG ASN A 1 -7.060 7.510 -2.606 1.00 0.00 C +ATOM 7 OD1 ASN A 1 -7.598 6.525 -2.122 1.00 0.00 O +ATOM 8 ND2 ASN A 1 -7.361 7.888 -3.833 1.00 0.00 N +ATOM 9 H1 ASN A 1 -4.274 7.750 1.038 1.00 0.00 H +ATOM 10 H2 ASN A 1 -3.845 8.730 -0.193 1.00 0.00 H +ATOM 11 H3 ASN A 1 -5.220 9.048 0.659 1.00 0.00 H +ATOM 12 HA ASN A 1 -6.264 7.034 -0.107 1.00 0.00 H +ATOM 13 HB2 ASN A 1 -6.417 9.177 -1.442 1.00 0.00 H +ATOM 14 HB3 ASN A 1 -5.178 8.555 -2.505 1.00 0.00 H +ATOM 15 HD21 ASN A 1 -6.930 8.673 -4.294 1.00 0.00 H +ATOM 16 HD22 ASN A 1 -8.069 7.331 -4.288 1.00 0.00 H +ATOM 17 N LEU A 2 -5.081 5.309 -1.895 1.00 0.00 N +ATOM 18 CA LEU A 2 -4.421 4.095 -2.428 1.00 0.00 C +ATOM 19 C LEU A 2 -3.907 3.086 -1.373 1.00 0.00 C +ATOM 20 O LEU A 2 -3.438 2.004 -1.727 1.00 0.00 O +ATOM 21 CB LEU A 2 -3.323 4.462 -3.461 1.00 0.00 C +ATOM 22 CG LEU A 2 -3.852 4.852 -4.858 1.00 0.00 C +ATOM 23 CD1 LEU A 2 -4.240 6.330 -4.955 1.00 0.00 C +ATOM 24 CD2 LEU A 2 -2.790 4.587 -5.929 1.00 0.00 C +ATOM 25 H LEU A 2 -6.060 5.437 -2.149 1.00 0.00 H +ATOM 26 HA LEU A 2 -5.183 3.538 -2.975 1.00 0.00 H +ATOM 27 HB2 LEU A 2 -2.763 5.291 -3.073 1.00 0.00 H +ATOM 28 HB3 LEU A 2 -2.689 3.583 -3.592 1.00 0.00 H +ATOM 29 HG LEU A 2 -4.724 4.242 -5.093 1.00 0.00 H +ATOM 30 HD11 LEU A 2 -5.010 6.557 -4.229 1.00 0.00 H +ATOM 31 HD12 LEU A 2 -3.370 6.961 -4.774 1.00 0.00 H +ATOM 32 HD13 LEU A 2 -4.633 6.540 -5.950 1.00 0.00 H +ATOM 33 HD21 LEU A 2 -1.903 5.190 -5.739 1.00 0.00 H +ATOM 34 HD22 LEU A 2 -2.517 3.530 -5.926 1.00 0.00 H +ATOM 35 HD23 LEU A 2 -3.189 4.833 -6.912 1.00 0.00 H +ATOM 36 N TYR A 3 -4.044 3.394 -0.080 1.00 0.00 N +ATOM 37 CA TYR A 3 -3.489 2.632 1.037 1.00 0.00 C +ATOM 38 C TYR A 3 -3.961 1.172 1.078 1.00 0.00 C +ATOM 39 O TYR A 3 -3.161 0.277 1.338 1.00 0.00 O +ATOM 40 CB TYR A 3 -3.815 3.362 2.349 1.00 0.00 C +ATOM 41 CG TYR A 3 -2.670 3.331 3.335 1.00 0.00 C +ATOM 42 CD1 TYR A 3 -2.480 2.213 4.167 1.00 0.00 C +ATOM 43 CD2 TYR A 3 -1.776 4.416 3.400 1.00 0.00 C +ATOM 44 CE1 TYR A 3 -1.407 2.188 5.077 1.00 0.00 C +ATOM 45 CE2 TYR A 3 -0.707 4.403 4.312 1.00 0.00 C +ATOM 46 CZ TYR A 3 -0.523 3.285 5.158 1.00 0.00 C +ATOM 47 OH TYR A 3 0.472 3.267 6.085 1.00 0.00 O +ATOM 48 H TYR A 3 -4.369 4.327 0.113 1.00 0.00 H +ATOM 49 HA TYR A 3 -2.405 2.622 0.917 1.00 0.00 H +ATOM 50 HB2 TYR A 3 -4.046 4.385 2.124 1.00 0.00 H +ATOM 51 HB3 TYR A 3 -4.703 2.925 2.808 1.00 0.00 H +ATOM 52 HD1 TYR A 3 -3.164 1.380 4.111 1.00 0.00 H +ATOM 53 HD2 TYR A 3 -1.914 5.270 2.750 1.00 0.00 H +ATOM 54 HE1 TYR A 3 -1.257 1.345 5.732 1.00 0.00 H +ATOM 55 HE2 TYR A 3 -0.031 5.245 4.351 1.00 0.00 H +ATOM 56 HH TYR A 3 0.616 4.135 6.463 1.00 0.00 H +ATOM 57 N ILE A 4 -5.240 0.915 0.764 1.00 0.00 N +ATOM 58 CA ILE A 4 -5.800 -0.440 0.662 1.00 0.00 C +ATOM 59 C ILE A 4 -5.054 -1.256 -0.409 1.00 0.00 C +ATOM 60 O ILE A 4 -4.725 -2.421 -0.194 1.00 0.00 O +ATOM 61 CB ILE A 4 -7.321 -0.381 0.365 1.00 0.00 C +ATOM 62 CG1 ILE A 4 -8.099 0.508 1.368 1.00 0.00 C +ATOM 63 CG2 ILE A 4 -7.932 -1.793 0.371 1.00 0.00 C +ATOM 64 CD1 ILE A 4 -8.620 1.792 0.710 1.00 0.00 C +ATOM 65 H ILE A 4 -5.837 1.705 0.575 1.00 0.00 H +ATOM 66 HA ILE A 4 -5.656 -0.946 1.618 1.00 0.00 H +ATOM 67 HB ILE A 4 -7.455 0.022 -0.641 1.00 0.00 H +ATOM 68 HG12 ILE A 4 -8.933 -0.049 1.751 1.00 0.00 H +ATOM 69 HG13 ILE A 4 -7.469 0.772 2.219 1.00 0.00 H +ATOM 70 HG21 ILE A 4 -7.495 -2.396 -0.421 1.00 0.00 H +ATOM 71 HG22 ILE A 4 -7.751 -2.278 1.331 1.00 0.00 H +ATOM 72 HG23 ILE A 4 -9.007 -1.735 0.196 1.00 0.00 H +ATOM 73 HD11 ILE A 4 -7.790 2.390 0.335 1.00 0.00 H +ATOM 74 HD12 ILE A 4 -9.288 1.538 -0.114 1.00 0.00 H +ATOM 75 HD13 ILE A 4 -9.178 2.375 1.445 1.00 0.00 H +ATOM 76 N GLN A 5 -4.758 -0.632 -1.557 1.00 0.00 N +ATOM 77 CA GLN A 5 -4.009 -1.246 -2.650 1.00 0.00 C +ATOM 78 C GLN A 5 -2.556 -1.532 -2.257 1.00 0.00 C +ATOM 79 O GLN A 5 -2.056 -2.621 -2.522 1.00 0.00 O +ATOM 80 CB GLN A 5 -4.126 -0.385 -3.921 1.00 0.00 C +ATOM 81 CG GLN A 5 -4.525 -1.255 -5.121 1.00 0.00 C +ATOM 82 CD GLN A 5 -4.816 -0.407 -6.354 1.00 0.00 C +ATOM 83 OE1 GLN A 5 -5.867 0.201 -6.470 1.00 0.00 O +ATOM 84 NE2 GLN A 5 -3.916 -0.347 -7.314 1.00 0.00 N +ATOM 85 H GLN A 5 -4.955 0.358 -1.625 1.00 0.00 H +ATOM 86 HA GLN A 5 -4.460 -2.209 -2.849 1.00 0.00 H +ATOM 87 HB2 GLN A 5 -4.872 0.371 -3.769 1.00 0.00 H +ATOM 88 HB3 GLN A 5 -3.180 0.117 -4.130 1.00 0.00 H +ATOM 89 HG2 GLN A 5 -3.722 -1.931 -5.344 1.00 0.00 H +ATOM 90 HG3 GLN A 5 -5.434 -1.805 -4.876 1.00 0.00 H +ATOM 91 HE21 GLN A 5 -3.043 -0.844 -7.271 1.00 0.00 H +ATOM 92 HE22 GLN A 5 -4.190 0.218 -8.099 1.00 0.00 H +ATOM 93 N TRP A 6 -1.905 -0.591 -1.563 1.00 0.00 N +ATOM 94 CA TRP A 6 -0.573 -0.794 -0.989 1.00 0.00 C +ATOM 95 C TRP A 6 -0.539 -1.937 0.047 1.00 0.00 C +ATOM 96 O TRP A 6 0.365 -2.772 0.016 1.00 0.00 O +ATOM 97 CB TRP A 6 -0.090 0.537 -0.404 1.00 0.00 C +ATOM 98 CG TRP A 6 1.273 0.496 0.209 1.00 0.00 C +ATOM 99 CD1 TRP A 6 2.441 0.483 -0.473 1.00 0.00 C +ATOM 100 CD2 TRP A 6 1.630 0.425 1.623 1.00 0.00 C +ATOM 101 NE1 TRP A 6 3.492 0.396 0.418 1.00 0.00 N +ATOM 102 CE2 TRP A 6 3.053 0.371 1.722 1.00 0.00 C +ATOM 103 CE3 TRP A 6 0.899 0.398 2.830 1.00 0.00 C +ATOM 104 CZ2 TRP A 6 3.719 0.302 2.954 1.00 0.00 C +ATOM 105 CZ3 TRP A 6 1.557 0.314 4.072 1.00 0.00 C +ATOM 106 CH2 TRP A 6 2.961 0.267 4.137 1.00 0.00 C +ATOM 107 H TRP A 6 -2.385 0.292 -1.412 1.00 0.00 H +ATOM 108 HA TRP A 6 0.108 -1.080 -1.790 1.00 0.00 H +ATOM 109 HB2 TRP A 6 -0.079 1.264 -1.193 1.00 0.00 H +ATOM 110 HB3 TRP A 6 -0.793 0.874 0.356 1.00 0.00 H +ATOM 111 HD1 TRP A 6 2.536 0.516 -1.550 1.00 0.00 H +ATOM 112 HE1 TRP A 6 4.475 0.350 0.133 1.00 0.00 H +ATOM 113 HE3 TRP A 6 -0.179 0.447 2.791 1.00 0.00 H +ATOM 114 HZ2 TRP A 6 4.797 0.257 2.979 1.00 0.00 H +ATOM 115 HZ3 TRP A 6 0.979 0.296 4.987 1.00 0.00 H +ATOM 116 HH2 TRP A 6 3.455 0.210 5.097 1.00 0.00 H +ATOM 117 N LEU A 7 -1.539 -2.023 0.936 1.00 0.00 N +ATOM 118 CA LEU A 7 -1.647 -3.114 1.911 1.00 0.00 C +ATOM 119 C LEU A 7 -1.880 -4.491 1.263 1.00 0.00 C +ATOM 120 O LEU A 7 -1.299 -5.464 1.739 1.00 0.00 O +ATOM 121 CB LEU A 7 -2.744 -2.801 2.945 1.00 0.00 C +ATOM 122 CG LEU A 7 -2.387 -1.679 3.942 1.00 0.00 C +ATOM 123 CD1 LEU A 7 -3.618 -1.346 4.787 1.00 0.00 C +ATOM 124 CD2 LEU A 7 -1.248 -2.065 4.893 1.00 0.00 C +ATOM 125 H LEU A 7 -2.229 -1.275 0.955 1.00 0.00 H +ATOM 126 HA LEU A 7 -0.693 -3.194 2.432 1.00 0.00 H +ATOM 127 HB2 LEU A 7 -3.630 -2.508 2.415 1.00 0.00 H +ATOM 128 HB3 LEU A 7 -2.953 -3.706 3.517 1.00 0.00 H +ATOM 129 HG LEU A 7 -2.088 -0.784 3.401 1.00 0.00 H +ATOM 130 HD11 LEU A 7 -4.425 -0.996 4.140 1.00 0.00 H +ATOM 131 HD12 LEU A 7 -3.951 -2.230 5.330 1.00 0.00 H +ATOM 132 HD13 LEU A 7 -3.378 -0.561 5.504 1.00 0.00 H +ATOM 133 HD21 LEU A 7 -1.499 -2.980 5.429 1.00 0.00 H +ATOM 134 HD22 LEU A 7 -0.325 -2.214 4.336 1.00 0.00 H +ATOM 135 HD23 LEU A 7 -1.082 -1.265 5.612 1.00 0.00 H +ATOM 136 N LYS A 8 -2.664 -4.593 0.174 1.00 0.00 N +ATOM 137 CA LYS A 8 -2.892 -5.859 -0.562 1.00 0.00 C +ATOM 138 C LYS A 8 -1.591 -6.528 -1.022 1.00 0.00 C +ATOM 139 O LYS A 8 -1.477 -7.746 -0.936 1.00 0.00 O +ATOM 140 CB LYS A 8 -3.818 -5.628 -1.769 1.00 0.00 C +ATOM 141 CG LYS A 8 -5.295 -5.486 -1.357 1.00 0.00 C +ATOM 142 CD LYS A 8 -6.116 -4.646 -2.351 1.00 0.00 C +ATOM 143 CE LYS A 8 -6.882 -5.452 -3.401 1.00 0.00 C +ATOM 144 NZ LYS A 8 -7.477 -4.544 -4.411 1.00 0.00 N +ATOM 145 H LYS A 8 -3.145 -3.750 -0.132 1.00 0.00 H +ATOM 146 HA LYS A 8 -3.367 -6.574 0.111 1.00 0.00 H +ATOM 147 HB2 LYS A 8 -3.512 -4.730 -2.271 1.00 0.00 H +ATOM 148 HB3 LYS A 8 -3.736 -6.467 -2.462 1.00 0.00 H +ATOM 149 HG2 LYS A 8 -5.729 -6.465 -1.296 1.00 0.00 H +ATOM 150 HG3 LYS A 8 -5.344 -4.993 -0.387 1.00 0.00 H +ATOM 151 HD2 LYS A 8 -6.826 -4.068 -1.791 1.00 0.00 H +ATOM 152 HD3 LYS A 8 -5.454 -3.961 -2.867 1.00 0.00 H +ATOM 153 HE2 LYS A 8 -6.208 -6.131 -3.888 1.00 0.00 H +ATOM 154 HE3 LYS A 8 -7.667 -6.022 -2.896 1.00 0.00 H +ATOM 155 HZ1 LYS A 8 -8.054 -3.846 -3.961 1.00 0.00 H +ATOM 156 HZ2 LYS A 8 -6.746 -4.071 -4.926 1.00 0.00 H +ATOM 157 HZ3 LYS A 8 -8.047 -5.062 -5.068 1.00 0.00 H +ATOM 158 N ASP A 9 -0.606 -5.739 -1.457 1.00 0.00 N +ATOM 159 CA ASP A 9 0.739 -6.198 -1.825 1.00 0.00 C +ATOM 160 C ASP A 9 1.651 -6.499 -0.611 1.00 0.00 C +ATOM 161 O ASP A 9 2.838 -6.780 -0.797 1.00 0.00 O +ATOM 162 CB ASP A 9 1.370 -5.155 -2.771 1.00 0.00 C +ATOM 163 CG ASP A 9 1.177 -5.531 -4.240 1.00 0.00 C +ATOM 164 OD1 ASP A 9 0.135 -5.136 -4.811 1.00 0.00 O +ATOM 165 OD2 ASP A 9 2.077 -6.215 -4.775 1.00 0.00 O +ATOM 166 H ASP A 9 -0.801 -4.748 -1.533 1.00 0.00 H +ATOM 167 HA ASP A 9 0.652 -7.136 -2.376 1.00 0.00 H +ATOM 168 HB2 ASP A 9 0.911 -4.202 -2.593 1.00 0.00 H +ATOM 169 HB3 ASP A 9 2.441 -5.088 -2.597 1.00 0.00 H +ATOM 170 N GLY A 10 1.167 -6.398 0.637 1.00 0.00 N +ATOM 171 CA GLY A 10 1.944 -6.694 1.851 1.00 0.00 C +ATOM 172 C GLY A 10 2.520 -5.474 2.584 1.00 0.00 C +ATOM 173 O GLY A 10 3.356 -5.650 3.475 1.00 0.00 O +ATOM 174 H GLY A 10 0.189 -6.147 0.762 1.00 0.00 H +ATOM 175 HA2 GLY A 10 1.294 -7.220 2.549 1.00 0.00 H +ATOM 176 HA3 GLY A 10 2.770 -7.362 1.607 1.00 0.00 H +ATOM 177 N GLY A 11 2.100 -4.254 2.229 1.00 0.00 N +ATOM 178 CA GLY A 11 2.528 -2.992 2.832 1.00 0.00 C +ATOM 179 C GLY A 11 4.060 -2.837 2.922 1.00 0.00 C +ATOM 180 O GLY A 11 4.712 -2.686 1.888 1.00 0.00 O +ATOM 181 H GLY A 11 1.508 -4.184 1.407 1.00 0.00 H +ATOM 182 HA2 GLY A 11 2.150 -2.182 2.211 1.00 0.00 H +ATOM 183 HA3 GLY A 11 2.067 -2.896 3.812 1.00 0.00 H +ATOM 184 N PRO A 12 4.678 -2.872 4.125 1.00 0.00 N +ATOM 185 CA PRO A 12 6.137 -2.792 4.262 1.00 0.00 C +ATOM 186 C PRO A 12 6.903 -3.861 3.466 1.00 0.00 C +ATOM 187 O PRO A 12 8.043 -3.629 3.069 1.00 0.00 O +ATOM 188 CB PRO A 12 6.429 -2.936 5.761 1.00 0.00 C +ATOM 189 CG PRO A 12 5.120 -2.531 6.433 1.00 0.00 C +ATOM 190 CD PRO A 12 4.058 -2.991 5.436 1.00 0.00 C +ATOM 191 HA PRO A 12 6.463 -1.808 3.926 1.00 0.00 H +ATOM 192 HB2 PRO A 12 6.685 -3.949 6.004 1.00 0.00 H +ATOM 193 HB3 PRO A 12 7.254 -2.292 6.069 1.00 0.00 H +ATOM 194 HG2 PRO A 12 5.002 -3.028 7.377 1.00 0.00 H +ATOM 195 HG3 PRO A 12 5.080 -1.447 6.534 1.00 0.00 H +ATOM 196 HD2 PRO A 12 3.779 -4.009 5.628 1.00 0.00 H +ATOM 197 HD3 PRO A 12 3.172 -2.363 5.530 1.00 0.00 H +ATOM 198 N SER A 13 6.278 -5.017 3.209 1.00 0.00 N +ATOM 199 CA SER A 13 6.884 -6.142 2.489 1.00 0.00 C +ATOM 200 C SER A 13 6.737 -6.043 0.960 1.00 0.00 C +ATOM 201 O SER A 13 7.147 -6.960 0.254 1.00 0.00 O +ATOM 202 CB SER A 13 6.306 -7.461 3.021 1.00 0.00 C +ATOM 203 OG SER A 13 6.621 -7.599 4.395 1.00 0.00 O +ATOM 204 H SER A 13 5.320 -5.131 3.531 1.00 0.00 H +ATOM 205 HA SER A 13 7.953 -6.155 2.698 1.00 0.00 H +ATOM 206 HB2 SER A 13 5.240 -7.459 2.898 1.00 0.00 H +ATOM 207 HB3 SER A 13 6.742 -8.301 2.479 1.00 0.00 H +ATOM 208 HG SER A 13 5.808 -7.714 4.892 1.00 0.00 H +ATOM 209 N SER A 14 6.176 -4.942 0.434 1.00 0.00 N +ATOM 210 CA SER A 14 5.884 -4.748 -0.996 1.00 0.00 C +ATOM 211 C SER A 14 7.004 -4.076 -1.802 1.00 0.00 C +ATOM 212 O SER A 14 6.860 -3.890 -3.006 1.00 0.00 O +ATOM 213 CB SER A 14 4.636 -3.874 -1.140 1.00 0.00 C +ATOM 214 OG SER A 14 3.598 -4.383 -0.343 1.00 0.00 O +ATOM 215 H SER A 14 5.795 -4.245 1.069 1.00 0.00 H +ATOM 216 HA SER A 14 5.675 -5.716 -1.456 1.00 0.00 H +ATOM 217 HB2 SER A 14 4.865 -2.873 -0.828 1.00 0.00 H +ATOM 218 HB3 SER A 14 4.320 -3.854 -2.182 1.00 0.00 H +ATOM 219 HG SER A 14 3.437 -5.331 -0.578 1.00 0.00 H +ATOM 220 N GLY A 15 8.091 -3.636 -1.156 1.00 0.00 N +ATOM 221 CA GLY A 15 9.222 -2.961 -1.807 1.00 0.00 C +ATOM 222 C GLY A 15 8.979 -1.499 -2.225 1.00 0.00 C +ATOM 223 O GLY A 15 9.937 -0.811 -2.570 1.00 0.00 O +ATOM 224 H GLY A 15 8.136 -3.819 -0.163 1.00 0.00 H +ATOM 225 HA2 GLY A 15 10.080 -2.981 -1.136 1.00 0.00 H +ATOM 226 HA3 GLY A 15 9.494 -3.517 -2.706 1.00 0.00 H +ATOM 227 N ARG A 16 7.733 -1.005 -2.166 1.00 0.00 N +ATOM 228 CA ARG A 16 7.340 0.378 -2.469 1.00 0.00 C +ATOM 229 C ARG A 16 6.864 1.090 -1.189 1.00 0.00 C +ATOM 230 O ARG A 16 6.138 0.469 -0.408 1.00 0.00 O +ATOM 231 CB ARG A 16 6.242 0.351 -3.552 1.00 0.00 C +ATOM 232 CG ARG A 16 5.909 1.749 -4.102 1.00 0.00 C +ATOM 233 CD ARG A 16 4.828 1.696 -5.186 1.00 0.00 C +ATOM 234 NE ARG A 16 4.677 3.011 -5.838 1.00 0.00 N +ATOM 235 CZ ARG A 16 4.080 3.264 -6.997 1.00 0.00 C +ATOM 236 NH1 ARG A 16 3.453 2.326 -7.670 1.00 0.00 N +ATOM 237 NH2 ARG A 16 4.108 4.474 -7.504 1.00 0.00 N +ATOM 238 H ARG A 16 7.011 -1.654 -1.889 1.00 0.00 H +ATOM 239 HA ARG A 16 8.211 0.896 -2.870 1.00 0.00 H +ATOM 240 HB2 ARG A 16 6.577 -0.266 -4.364 1.00 0.00 H +ATOM 241 HB3 ARG A 16 5.337 -0.100 -3.141 1.00 0.00 H +ATOM 242 HG2 ARG A 16 5.561 2.365 -3.295 1.00 0.00 H +ATOM 243 HG3 ARG A 16 6.814 2.176 -4.534 1.00 0.00 H +ATOM 244 HD2 ARG A 16 5.104 0.967 -5.923 1.00 0.00 H +ATOM 245 HD3 ARG A 16 3.881 1.398 -4.732 1.00 0.00 H +ATOM 246 HE ARG A 16 5.099 3.795 -5.368 1.00 0.00 H +ATOM 247 HH11 ARG A 16 3.423 1.404 -7.274 1.00 0.00 H +ATOM 248 HH12 ARG A 16 3.006 2.520 -8.548 1.00 0.00 H +ATOM 249 HH21 ARG A 16 4.586 5.218 -7.026 1.00 0.00 H +ATOM 250 HH22 ARG A 16 3.669 4.656 -8.390 1.00 0.00 H +ATOM 251 N PRO A 17 7.209 2.375 -0.963 1.00 0.00 N +ATOM 252 CA PRO A 17 6.738 3.134 0.201 1.00 0.00 C +ATOM 253 C PRO A 17 5.208 3.346 0.203 1.00 0.00 C +ATOM 254 O PRO A 17 4.576 3.259 -0.855 1.00 0.00 O +ATOM 255 CB PRO A 17 7.490 4.471 0.149 1.00 0.00 C +ATOM 256 CG PRO A 17 7.846 4.634 -1.326 1.00 0.00 C +ATOM 257 CD PRO A 17 8.110 3.196 -1.761 1.00 0.00 C +ATOM 258 HA PRO A 17 7.021 2.596 1.106 1.00 0.00 H +ATOM 259 HB2 PRO A 17 6.862 5.275 0.482 1.00 0.00 H +ATOM 260 HB3 PRO A 17 8.407 4.394 0.736 1.00 0.00 H +ATOM 261 HG2 PRO A 17 7.031 5.063 -1.877 1.00 0.00 H +ATOM 262 HG3 PRO A 17 8.720 5.268 -1.469 1.00 0.00 H +ATOM 263 HD2 PRO A 17 7.900 3.076 -2.806 1.00 0.00 H +ATOM 264 HD3 PRO A 17 9.141 2.925 -1.531 1.00 0.00 H +ATOM 265 N PRO A 18 4.607 3.648 1.372 1.00 0.00 N +ATOM 266 CA PRO A 18 3.168 3.868 1.495 1.00 0.00 C +ATOM 267 C PRO A 18 2.728 5.176 0.813 1.00 0.00 C +ATOM 268 O PRO A 18 3.421 6.189 0.932 1.00 0.00 O +ATOM 269 CB PRO A 18 2.880 3.905 2.999 1.00 0.00 C +ATOM 270 CG PRO A 18 4.202 4.357 3.615 1.00 0.00 C +ATOM 271 CD PRO A 18 5.252 3.767 2.674 1.00 0.00 C +ATOM 272 HA PRO A 18 2.650 3.021 1.056 1.00 0.00 H +ATOM 273 HB2 PRO A 18 2.097 4.604 3.221 1.00 0.00 H +ATOM 274 HB3 PRO A 18 2.640 2.905 3.351 1.00 0.00 H +ATOM 275 HG2 PRO A 18 4.268 5.428 3.640 1.00 0.00 H +ATOM 276 HG3 PRO A 18 4.322 3.987 4.633 1.00 0.00 H +ATOM 277 HD2 PRO A 18 6.103 4.418 2.610 1.00 0.00 H +ATOM 278 HD3 PRO A 18 5.544 2.776 3.024 1.00 0.00 H +ATOM 279 N PRO A 19 1.566 5.189 0.135 1.00 0.00 N +ATOM 280 CA PRO A 19 0.986 6.406 -0.419 1.00 0.00 C +ATOM 281 C PRO A 19 0.340 7.243 0.694 1.00 0.00 C +ATOM 282 O PRO A 19 -0.310 6.698 1.588 1.00 0.00 O +ATOM 283 CB PRO A 19 -0.045 5.908 -1.435 1.00 0.00 C +ATOM 284 CG PRO A 19 -0.542 4.596 -0.823 1.00 0.00 C +ATOM 285 CD PRO A 19 0.688 4.050 -0.100 1.00 0.00 C +ATOM 286 HA PRO A 19 1.751 6.996 -0.927 1.00 0.00 H +ATOM 287 HB2 PRO A 19 -0.849 6.611 -1.542 1.00 0.00 H +ATOM 288 HB3 PRO A 19 0.455 5.698 -2.382 1.00 0.00 H +ATOM 289 HG2 PRO A 19 -1.344 4.774 -0.133 1.00 0.00 H +ATOM 290 HG3 PRO A 19 -0.898 3.904 -1.584 1.00 0.00 H +ATOM 291 HD2 PRO A 19 0.402 3.603 0.833 1.00 0.00 H +ATOM 292 HD3 PRO A 19 1.199 3.327 -0.734 1.00 0.00 H +ATOM 293 N SER A 20 0.480 8.571 0.624 1.00 0.00 N +ATOM 294 CA SER A 20 -0.125 9.511 1.572 1.00 0.00 C +ATOM 295 C SER A 20 -0.770 10.671 0.820 1.00 0.00 C +ATOM 296 O SER A 20 -2.016 10.756 0.905 1.00 0.00 O +ATOM 297 CB SER A 20 0.919 9.961 2.597 1.00 0.00 C +ATOM 298 OG SER A 20 0.248 10.488 3.720 1.00 0.00 O +ATOM 299 OXT SER A 20 -0.011 11.405 0.152 1.00 0.00 O +ATOM 300 H SER A 20 1.013 8.983 -0.129 1.00 0.00 H +ATOM 301 HA SER A 20 -0.928 9.009 2.110 1.00 0.00 H +ATOM 302 HB2 SER A 20 1.519 9.122 2.895 1.00 0.00 H +ATOM 303 HB3 SER A 20 1.582 10.712 2.159 1.00 0.00 H +ATOM 304 HG SER A 20 -0.420 11.104 3.405 1.00 0.00 H +TER 305 SER A 20 +ENDMDL +MODEL 29 +ATOM 1 N ASN A 1 -8.605 5.735 -1.508 1.00 0.00 N +ATOM 2 CA ASN A 1 -7.571 6.051 -0.495 1.00 0.00 C +ATOM 3 C ASN A 1 -6.164 5.538 -0.832 1.00 0.00 C +ATOM 4 O ASN A 1 -5.240 5.940 -0.139 1.00 0.00 O +ATOM 5 CB ASN A 1 -8.006 5.614 0.920 1.00 0.00 C +ATOM 6 CG ASN A 1 -8.446 6.833 1.721 1.00 0.00 C +ATOM 7 OD1 ASN A 1 -7.636 7.667 2.079 1.00 0.00 O +ATOM 8 ND2 ASN A 1 -9.727 7.012 1.978 1.00 0.00 N +ATOM 9 H1 ASN A 1 -8.317 6.060 -2.422 1.00 0.00 H +ATOM 10 H2 ASN A 1 -8.771 4.738 -1.536 1.00 0.00 H +ATOM 11 H3 ASN A 1 -9.471 6.197 -1.263 1.00 0.00 H +ATOM 12 HA ASN A 1 -7.456 7.138 -0.461 1.00 0.00 H +ATOM 13 HB2 ASN A 1 -8.823 4.923 0.844 1.00 0.00 H +ATOM 14 HB3 ASN A 1 -7.168 5.160 1.453 1.00 0.00 H +ATOM 15 HD21 ASN A 1 -10.461 6.361 1.754 1.00 0.00 H +ATOM 16 HD22 ASN A 1 -9.905 7.847 2.515 1.00 0.00 H +ATOM 17 N LEU A 2 -5.966 4.679 -1.852 1.00 0.00 N +ATOM 18 CA LEU A 2 -4.666 4.117 -2.283 1.00 0.00 C +ATOM 19 C LEU A 2 -4.002 3.168 -1.262 1.00 0.00 C +ATOM 20 O LEU A 2 -3.524 2.099 -1.642 1.00 0.00 O +ATOM 21 CB LEU A 2 -3.717 5.253 -2.748 1.00 0.00 C +ATOM 22 CG LEU A 2 -3.317 5.246 -4.235 1.00 0.00 C +ATOM 23 CD1 LEU A 2 -2.553 3.980 -4.653 1.00 0.00 C +ATOM 24 CD2 LEU A 2 -4.536 5.478 -5.132 1.00 0.00 C +ATOM 25 H LEU A 2 -6.737 4.358 -2.414 1.00 0.00 H +ATOM 26 HA LEU A 2 -4.871 3.489 -3.150 1.00 0.00 H +ATOM 27 HB2 LEU A 2 -4.203 6.188 -2.545 1.00 0.00 H +ATOM 28 HB3 LEU A 2 -2.806 5.212 -2.162 1.00 0.00 H +ATOM 29 HG LEU A 2 -2.646 6.094 -4.387 1.00 0.00 H +ATOM 30 HD11 LEU A 2 -1.523 4.249 -4.893 1.00 0.00 H +ATOM 31 HD12 LEU A 2 -2.534 3.243 -3.853 1.00 0.00 H +ATOM 32 HD13 LEU A 2 -3.005 3.530 -5.537 1.00 0.00 H +ATOM 33 HD21 LEU A 2 -5.218 4.631 -5.088 1.00 0.00 H +ATOM 34 HD22 LEU A 2 -5.054 6.385 -4.819 1.00 0.00 H +ATOM 35 HD23 LEU A 2 -4.203 5.612 -6.162 1.00 0.00 H +ATOM 36 N TYR A 3 -4.025 3.502 0.030 1.00 0.00 N +ATOM 37 CA TYR A 3 -3.458 2.724 1.133 1.00 0.00 C +ATOM 38 C TYR A 3 -3.964 1.270 1.170 1.00 0.00 C +ATOM 39 O TYR A 3 -3.186 0.358 1.441 1.00 0.00 O +ATOM 40 CB TYR A 3 -3.738 3.456 2.457 1.00 0.00 C +ATOM 41 CG TYR A 3 -2.570 3.419 3.420 1.00 0.00 C +ATOM 42 CD1 TYR A 3 -2.245 2.219 4.078 1.00 0.00 C +ATOM 43 CD2 TYR A 3 -1.797 4.577 3.646 1.00 0.00 C +ATOM 44 CE1 TYR A 3 -1.149 2.170 4.960 1.00 0.00 C +ATOM 45 CE2 TYR A 3 -0.713 4.539 4.544 1.00 0.00 C +ATOM 46 CZ TYR A 3 -0.388 3.333 5.204 1.00 0.00 C +ATOM 47 OH TYR A 3 0.627 3.280 6.107 1.00 0.00 O +ATOM 48 H TYR A 3 -4.367 4.438 0.237 1.00 0.00 H +ATOM 49 HA TYR A 3 -2.377 2.691 0.989 1.00 0.00 H +ATOM 50 HB2 TYR A 3 -3.966 4.481 2.238 1.00 0.00 H +ATOM 51 HB3 TYR A 3 -4.614 3.021 2.941 1.00 0.00 H +ATOM 52 HD1 TYR A 3 -2.836 1.333 3.908 1.00 0.00 H +ATOM 53 HD2 TYR A 3 -2.032 5.503 3.135 1.00 0.00 H +ATOM 54 HE1 TYR A 3 -0.891 1.259 5.474 1.00 0.00 H +ATOM 55 HE2 TYR A 3 -0.128 5.433 4.713 1.00 0.00 H +ATOM 56 HH TYR A 3 0.617 4.042 6.689 1.00 0.00 H +ATOM 57 N ILE A 4 -5.244 1.037 0.838 1.00 0.00 N +ATOM 58 CA ILE A 4 -5.834 -0.306 0.713 1.00 0.00 C +ATOM 59 C ILE A 4 -5.105 -1.123 -0.367 1.00 0.00 C +ATOM 60 O ILE A 4 -4.724 -2.268 -0.130 1.00 0.00 O +ATOM 61 CB ILE A 4 -7.352 -0.235 0.407 1.00 0.00 C +ATOM 62 CG1 ILE A 4 -8.137 0.689 1.373 1.00 0.00 C +ATOM 63 CG2 ILE A 4 -7.972 -1.643 0.457 1.00 0.00 C +ATOM 64 CD1 ILE A 4 -8.547 2.007 0.707 1.00 0.00 C +ATOM 65 H ILE A 4 -5.819 1.844 0.651 1.00 0.00 H +ATOM 66 HA ILE A 4 -5.700 -0.825 1.663 1.00 0.00 H +ATOM 67 HB ILE A 4 -7.482 0.137 -0.611 1.00 0.00 H +ATOM 68 HG12 ILE A 4 -9.022 0.177 1.699 1.00 0.00 H +ATOM 69 HG13 ILE A 4 -7.548 0.901 2.265 1.00 0.00 H +ATOM 70 HG21 ILE A 4 -7.504 -2.298 -0.279 1.00 0.00 H +ATOM 71 HG22 ILE A 4 -7.845 -2.074 1.451 1.00 0.00 H +ATOM 72 HG23 ILE A 4 -9.037 -1.590 0.226 1.00 0.00 H +ATOM 73 HD11 ILE A 4 -7.664 2.587 0.439 1.00 0.00 H +ATOM 74 HD12 ILE A 4 -9.134 1.802 -0.191 1.00 0.00 H +ATOM 75 HD13 ILE A 4 -9.164 2.579 1.400 1.00 0.00 H +ATOM 76 N GLN A 5 -4.897 -0.530 -1.550 1.00 0.00 N +ATOM 77 CA GLN A 5 -4.198 -1.155 -2.673 1.00 0.00 C +ATOM 78 C GLN A 5 -2.723 -1.419 -2.333 1.00 0.00 C +ATOM 79 O GLN A 5 -2.200 -2.473 -2.684 1.00 0.00 O +ATOM 80 CB GLN A 5 -4.336 -0.262 -3.917 1.00 0.00 C +ATOM 81 CG GLN A 5 -3.914 -0.964 -5.221 1.00 0.00 C +ATOM 82 CD GLN A 5 -5.086 -1.137 -6.184 1.00 0.00 C +ATOM 83 OE1 GLN A 5 -5.679 -0.180 -6.653 1.00 0.00 O +ATOM 84 NE2 GLN A 5 -5.471 -2.356 -6.511 1.00 0.00 N +ATOM 85 H GLN A 5 -5.132 0.448 -1.635 1.00 0.00 H +ATOM 86 HA GLN A 5 -4.672 -2.115 -2.879 1.00 0.00 H +ATOM 87 HB2 GLN A 5 -5.362 0.038 -4.009 1.00 0.00 H +ATOM 88 HB3 GLN A 5 -3.724 0.632 -3.790 1.00 0.00 H +ATOM 89 HG2 GLN A 5 -3.155 -0.376 -5.701 1.00 0.00 H +ATOM 90 HG3 GLN A 5 -3.469 -1.937 -5.010 1.00 0.00 H +ATOM 91 HE21 GLN A 5 -4.984 -3.177 -6.199 1.00 0.00 H +ATOM 92 HE22 GLN A 5 -6.221 -2.372 -7.181 1.00 0.00 H +ATOM 93 N TRP A 6 -2.071 -0.497 -1.615 1.00 0.00 N +ATOM 94 CA TRP A 6 -0.715 -0.699 -1.098 1.00 0.00 C +ATOM 95 C TRP A 6 -0.639 -1.865 -0.097 1.00 0.00 C +ATOM 96 O TRP A 6 0.196 -2.757 -0.250 1.00 0.00 O +ATOM 97 CB TRP A 6 -0.203 0.608 -0.484 1.00 0.00 C +ATOM 98 CG TRP A 6 1.201 0.530 0.024 1.00 0.00 C +ATOM 99 CD1 TRP A 6 2.311 0.523 -0.750 1.00 0.00 C +ATOM 100 CD2 TRP A 6 1.672 0.404 1.403 1.00 0.00 C +ATOM 101 NE1 TRP A 6 3.428 0.392 0.050 1.00 0.00 N +ATOM 102 CE2 TRP A 6 3.094 0.319 1.381 1.00 0.00 C +ATOM 103 CE3 TRP A 6 1.048 0.358 2.668 1.00 0.00 C +ATOM 104 CZ2 TRP A 6 3.864 0.210 2.546 1.00 0.00 C +ATOM 105 CZ3 TRP A 6 1.810 0.242 3.848 1.00 0.00 C +ATOM 106 CH2 TRP A 6 3.214 0.174 3.791 1.00 0.00 C +ATOM 107 H TRP A 6 -2.559 0.372 -1.412 1.00 0.00 H +ATOM 108 HA TRP A 6 -0.064 -0.958 -1.933 1.00 0.00 H +ATOM 109 HB2 TRP A 6 -0.249 1.374 -1.234 1.00 0.00 H +ATOM 110 HB3 TRP A 6 -0.852 0.901 0.340 1.00 0.00 H +ATOM 111 HD1 TRP A 6 2.315 0.589 -1.829 1.00 0.00 H +ATOM 112 HE1 TRP A 6 4.395 0.361 -0.282 1.00 0.00 H +ATOM 113 HE3 TRP A 6 -0.028 0.427 2.725 1.00 0.00 H +ATOM 114 HZ2 TRP A 6 4.940 0.156 2.473 1.00 0.00 H +ATOM 115 HZ3 TRP A 6 1.316 0.221 4.810 1.00 0.00 H +ATOM 116 HH2 TRP A 6 3.792 0.099 4.701 1.00 0.00 H +ATOM 117 N LEU A 7 -1.536 -1.900 0.899 1.00 0.00 N +ATOM 118 CA LEU A 7 -1.617 -3.007 1.855 1.00 0.00 C +ATOM 119 C LEU A 7 -1.901 -4.357 1.181 1.00 0.00 C +ATOM 120 O LEU A 7 -1.360 -5.362 1.635 1.00 0.00 O +ATOM 121 CB LEU A 7 -2.675 -2.710 2.932 1.00 0.00 C +ATOM 122 CG LEU A 7 -2.221 -1.687 3.991 1.00 0.00 C +ATOM 123 CD1 LEU A 7 -3.385 -1.386 4.937 1.00 0.00 C +ATOM 124 CD2 LEU A 7 -1.031 -2.194 4.815 1.00 0.00 C +ATOM 125 H LEU A 7 -2.191 -1.126 0.991 1.00 0.00 H +ATOM 126 HA LEU A 7 -0.645 -3.114 2.334 1.00 0.00 H +ATOM 127 HB2 LEU A 7 -3.552 -2.327 2.447 1.00 0.00 H +ATOM 128 HB3 LEU A 7 -2.922 -3.640 3.447 1.00 0.00 H +ATOM 129 HG LEU A 7 -1.930 -0.760 3.500 1.00 0.00 H +ATOM 130 HD11 LEU A 7 -4.245 -1.036 4.365 1.00 0.00 H +ATOM 131 HD12 LEU A 7 -3.661 -2.286 5.488 1.00 0.00 H +ATOM 132 HD13 LEU A 7 -3.096 -0.608 5.644 1.00 0.00 H +ATOM 133 HD21 LEU A 7 -1.172 -3.243 5.075 1.00 0.00 H +ATOM 134 HD22 LEU A 7 -0.114 -2.086 4.240 1.00 0.00 H +ATOM 135 HD23 LEU A 7 -0.929 -1.613 5.731 1.00 0.00 H +ATOM 136 N LYS A 8 -2.692 -4.379 0.094 1.00 0.00 N +ATOM 137 CA LYS A 8 -3.020 -5.583 -0.687 1.00 0.00 C +ATOM 138 C LYS A 8 -1.785 -6.364 -1.155 1.00 0.00 C +ATOM 139 O LYS A 8 -1.838 -7.588 -1.203 1.00 0.00 O +ATOM 140 CB LYS A 8 -3.879 -5.189 -1.903 1.00 0.00 C +ATOM 141 CG LYS A 8 -4.659 -6.371 -2.495 1.00 0.00 C +ATOM 142 CD LYS A 8 -5.247 -6.001 -3.867 1.00 0.00 C +ATOM 143 CE LYS A 8 -6.373 -6.957 -4.272 1.00 0.00 C +ATOM 144 NZ LYS A 8 -7.632 -6.645 -3.554 1.00 0.00 N +ATOM 145 H LYS A 8 -3.148 -3.504 -0.155 1.00 0.00 H +ATOM 146 HA LYS A 8 -3.595 -6.254 -0.047 1.00 0.00 H +ATOM 147 HB2 LYS A 8 -4.579 -4.436 -1.597 1.00 0.00 H +ATOM 148 HB3 LYS A 8 -3.229 -4.772 -2.673 1.00 0.00 H +ATOM 149 HG2 LYS A 8 -3.997 -7.208 -2.609 1.00 0.00 H +ATOM 150 HG3 LYS A 8 -5.454 -6.641 -1.801 1.00 0.00 H +ATOM 151 HD2 LYS A 8 -5.637 -5.002 -3.821 1.00 0.00 H +ATOM 152 HD3 LYS A 8 -4.447 -6.061 -4.607 1.00 0.00 H +ATOM 153 HE2 LYS A 8 -6.542 -6.870 -5.328 1.00 0.00 H +ATOM 154 HE3 LYS A 8 -6.057 -7.983 -4.060 1.00 0.00 H +ATOM 155 HZ1 LYS A 8 -7.483 -6.699 -2.554 1.00 0.00 H +ATOM 156 HZ2 LYS A 8 -7.939 -5.708 -3.782 1.00 0.00 H +ATOM 157 HZ3 LYS A 8 -8.360 -7.298 -3.811 1.00 0.00 H +ATOM 158 N ASP A 9 -0.706 -5.663 -1.517 1.00 0.00 N +ATOM 159 CA ASP A 9 0.544 -6.266 -1.987 1.00 0.00 C +ATOM 160 C ASP A 9 1.293 -6.977 -0.843 1.00 0.00 C +ATOM 161 O ASP A 9 1.650 -8.148 -0.961 1.00 0.00 O +ATOM 162 CB ASP A 9 1.392 -5.171 -2.653 1.00 0.00 C +ATOM 163 CG ASP A 9 2.434 -5.757 -3.608 1.00 0.00 C +ATOM 164 OD1 ASP A 9 3.525 -6.132 -3.128 1.00 0.00 O +ATOM 165 OD2 ASP A 9 2.117 -5.814 -4.817 1.00 0.00 O +ATOM 166 H ASP A 9 -0.755 -4.653 -1.452 1.00 0.00 H +ATOM 167 HA ASP A 9 0.304 -7.017 -2.743 1.00 0.00 H +ATOM 168 HB2 ASP A 9 0.744 -4.518 -3.205 1.00 0.00 H +ATOM 169 HB3 ASP A 9 1.878 -4.560 -1.892 1.00 0.00 H +ATOM 170 N GLY A 10 1.469 -6.281 0.289 1.00 0.00 N +ATOM 171 CA GLY A 10 2.142 -6.803 1.484 1.00 0.00 C +ATOM 172 C GLY A 10 2.644 -5.740 2.469 1.00 0.00 C +ATOM 173 O GLY A 10 3.613 -5.985 3.194 1.00 0.00 O +ATOM 174 H GLY A 10 1.155 -5.323 0.250 1.00 0.00 H +ATOM 175 HA2 GLY A 10 1.445 -7.452 2.016 1.00 0.00 H +ATOM 176 HA3 GLY A 10 2.995 -7.408 1.175 1.00 0.00 H +ATOM 177 N GLY A 11 2.028 -4.548 2.496 1.00 0.00 N +ATOM 178 CA GLY A 11 2.465 -3.422 3.328 1.00 0.00 C +ATOM 179 C GLY A 11 3.961 -3.104 3.147 1.00 0.00 C +ATOM 180 O GLY A 11 4.428 -3.060 2.005 1.00 0.00 O +ATOM 181 H GLY A 11 1.229 -4.418 1.894 1.00 0.00 H +ATOM 182 HA2 GLY A 11 1.897 -2.535 3.047 1.00 0.00 H +ATOM 183 HA3 GLY A 11 2.242 -3.663 4.366 1.00 0.00 H +ATOM 184 N PRO A 12 4.744 -2.895 4.229 1.00 0.00 N +ATOM 185 CA PRO A 12 6.184 -2.626 4.136 1.00 0.00 C +ATOM 186 C PRO A 12 6.990 -3.695 3.379 1.00 0.00 C +ATOM 187 O PRO A 12 8.035 -3.383 2.813 1.00 0.00 O +ATOM 188 CB PRO A 12 6.687 -2.517 5.581 1.00 0.00 C +ATOM 189 CG PRO A 12 5.435 -2.200 6.394 1.00 0.00 C +ATOM 190 CD PRO A 12 4.325 -2.910 5.621 1.00 0.00 C +ATOM 191 HA PRO A 12 6.325 -1.668 3.636 1.00 0.00 H +ATOM 192 HB2 PRO A 12 7.124 -3.443 5.902 1.00 0.00 H +ATOM 193 HB3 PRO A 12 7.439 -1.733 5.682 1.00 0.00 H +ATOM 194 HG2 PRO A 12 5.516 -2.586 7.392 1.00 0.00 H +ATOM 195 HG3 PRO A 12 5.256 -1.124 6.386 1.00 0.00 H +ATOM 196 HD2 PRO A 12 4.214 -3.919 5.968 1.00 0.00 H +ATOM 197 HD3 PRO A 12 3.379 -2.387 5.767 1.00 0.00 H +ATOM 198 N SER A 13 6.507 -4.946 3.334 1.00 0.00 N +ATOM 199 CA SER A 13 7.187 -6.064 2.673 1.00 0.00 C +ATOM 200 C SER A 13 7.029 -6.063 1.139 1.00 0.00 C +ATOM 201 O SER A 13 7.451 -7.024 0.494 1.00 0.00 O +ATOM 202 CB SER A 13 6.706 -7.387 3.280 1.00 0.00 C +ATOM 203 OG SER A 13 7.516 -8.439 2.801 1.00 0.00 O +ATOM 204 H SER A 13 5.587 -5.127 3.723 1.00 0.00 H +ATOM 205 HA SER A 13 8.254 -5.982 2.881 1.00 0.00 H +ATOM 206 HB2 SER A 13 6.777 -7.338 4.350 1.00 0.00 H +ATOM 207 HB3 SER A 13 5.667 -7.570 3.006 1.00 0.00 H +ATOM 208 HG SER A 13 7.599 -8.303 1.840 1.00 0.00 H +ATOM 209 N SER A 14 6.431 -5.007 0.568 1.00 0.00 N +ATOM 210 CA SER A 14 6.122 -4.843 -0.863 1.00 0.00 C +ATOM 211 C SER A 14 7.243 -4.167 -1.670 1.00 0.00 C +ATOM 212 O SER A 14 7.126 -4.014 -2.885 1.00 0.00 O +ATOM 213 CB SER A 14 4.869 -3.968 -1.035 1.00 0.00 C +ATOM 214 OG SER A 14 3.852 -4.282 -0.111 1.00 0.00 O +ATOM 215 H SER A 14 6.092 -4.293 1.198 1.00 0.00 H +ATOM 216 HA SER A 14 5.916 -5.820 -1.304 1.00 0.00 H +ATOM 217 HB2 SER A 14 5.148 -2.940 -0.902 1.00 0.00 H +ATOM 218 HB3 SER A 14 4.489 -4.086 -2.049 1.00 0.00 H +ATOM 219 HG SER A 14 4.047 -3.794 0.729 1.00 0.00 H +ATOM 220 N GLY A 15 8.295 -3.658 -1.015 1.00 0.00 N +ATOM 221 CA GLY A 15 9.401 -2.924 -1.649 1.00 0.00 C +ATOM 222 C GLY A 15 9.095 -1.469 -2.050 1.00 0.00 C +ATOM 223 O GLY A 15 10.027 -0.688 -2.223 1.00 0.00 O +ATOM 224 H GLY A 15 8.323 -3.798 -0.013 1.00 0.00 H +ATOM 225 HA2 GLY A 15 10.254 -2.914 -0.971 1.00 0.00 H +ATOM 226 HA3 GLY A 15 9.705 -3.456 -2.552 1.00 0.00 H +ATOM 227 N ARG A 16 7.815 -1.082 -2.167 1.00 0.00 N +ATOM 228 CA ARG A 16 7.364 0.285 -2.472 1.00 0.00 C +ATOM 229 C ARG A 16 6.898 1.010 -1.194 1.00 0.00 C +ATOM 230 O ARG A 16 6.164 0.402 -0.414 1.00 0.00 O +ATOM 231 CB ARG A 16 6.227 0.209 -3.508 1.00 0.00 C +ATOM 232 CG ARG A 16 5.864 1.592 -4.069 1.00 0.00 C +ATOM 233 CD ARG A 16 4.667 1.536 -5.024 1.00 0.00 C +ATOM 234 NE ARG A 16 4.606 2.733 -5.883 1.00 0.00 N +ATOM 235 CZ ARG A 16 4.305 3.981 -5.540 1.00 0.00 C +ATOM 236 NH1 ARG A 16 3.982 4.326 -4.313 1.00 0.00 N +ATOM 237 NH2 ARG A 16 4.338 4.924 -6.455 1.00 0.00 N +ATOM 238 H ARG A 16 7.121 -1.806 -2.050 1.00 0.00 H +ATOM 239 HA ARG A 16 8.203 0.825 -2.912 1.00 0.00 H +ATOM 240 HB2 ARG A 16 6.538 -0.422 -4.318 1.00 0.00 H +ATOM 241 HB3 ARG A 16 5.345 -0.244 -3.049 1.00 0.00 H +ATOM 242 HG2 ARG A 16 5.623 2.244 -3.251 1.00 0.00 H +ATOM 243 HG3 ARG A 16 6.729 1.984 -4.604 1.00 0.00 H +ATOM 244 HD2 ARG A 16 4.756 0.665 -5.645 1.00 0.00 H +ATOM 245 HD3 ARG A 16 3.744 1.430 -4.452 1.00 0.00 H +ATOM 246 HE ARG A 16 4.837 2.583 -6.851 1.00 0.00 H +ATOM 247 HH11 ARG A 16 3.989 3.631 -3.582 1.00 0.00 H +ATOM 248 HH12 ARG A 16 3.762 5.278 -4.085 1.00 0.00 H +ATOM 249 HH21 ARG A 16 4.596 4.707 -7.402 1.00 0.00 H +ATOM 250 HH22 ARG A 16 4.116 5.872 -6.209 1.00 0.00 H +ATOM 251 N PRO A 17 7.232 2.303 -0.989 1.00 0.00 N +ATOM 252 CA PRO A 17 6.749 3.076 0.161 1.00 0.00 C +ATOM 253 C PRO A 17 5.224 3.306 0.130 1.00 0.00 C +ATOM 254 O PRO A 17 4.612 3.230 -0.945 1.00 0.00 O +ATOM 255 CB PRO A 17 7.515 4.405 0.107 1.00 0.00 C +ATOM 256 CG PRO A 17 7.835 4.571 -1.375 1.00 0.00 C +ATOM 257 CD PRO A 17 8.095 3.134 -1.819 1.00 0.00 C +ATOM 258 HA PRO A 17 7.009 2.547 1.078 1.00 0.00 H +ATOM 259 HB2 PRO A 17 6.905 5.214 0.461 1.00 0.00 H +ATOM 260 HB3 PRO A 17 8.445 4.313 0.672 1.00 0.00 H +ATOM 261 HG2 PRO A 17 7.005 4.997 -1.906 1.00 0.00 H +ATOM 262 HG3 PRO A 17 8.703 5.210 -1.537 1.00 0.00 H +ATOM 263 HD2 PRO A 17 7.847 3.012 -2.856 1.00 0.00 H +ATOM 264 HD3 PRO A 17 9.137 2.873 -1.630 1.00 0.00 H +ATOM 265 N PRO A 18 4.607 3.621 1.290 1.00 0.00 N +ATOM 266 CA PRO A 18 3.173 3.861 1.391 1.00 0.00 C +ATOM 267 C PRO A 18 2.768 5.155 0.668 1.00 0.00 C +ATOM 268 O PRO A 18 3.536 6.122 0.654 1.00 0.00 O +ATOM 269 CB PRO A 18 2.862 3.940 2.889 1.00 0.00 C +ATOM 270 CG PRO A 18 4.175 4.424 3.496 1.00 0.00 C +ATOM 271 CD PRO A 18 5.230 3.775 2.601 1.00 0.00 C +ATOM 272 HA PRO A 18 2.647 3.013 0.960 1.00 0.00 H +ATOM 273 HB2 PRO A 18 2.070 4.638 3.081 1.00 0.00 H +ATOM 274 HB3 PRO A 18 2.631 2.946 3.269 1.00 0.00 H +ATOM 275 HG2 PRO A 18 4.245 5.494 3.460 1.00 0.00 H +ATOM 276 HG3 PRO A 18 4.280 4.116 4.536 1.00 0.00 H +ATOM 277 HD2 PRO A 18 6.097 4.404 2.530 1.00 0.00 H +ATOM 278 HD3 PRO A 18 5.490 2.793 2.996 1.00 0.00 H +ATOM 279 N PRO A 19 1.558 5.206 0.088 1.00 0.00 N +ATOM 280 CA PRO A 19 1.036 6.414 -0.536 1.00 0.00 C +ATOM 281 C PRO A 19 0.580 7.431 0.525 1.00 0.00 C +ATOM 282 O PRO A 19 0.139 7.063 1.615 1.00 0.00 O +ATOM 283 CB PRO A 19 -0.114 5.918 -1.419 1.00 0.00 C +ATOM 284 CG PRO A 19 -0.641 4.693 -0.668 1.00 0.00 C +ATOM 285 CD PRO A 19 0.599 4.117 0.004 1.00 0.00 C +ATOM 286 HA PRO A 19 1.800 6.874 -1.164 1.00 0.00 H +ATOM 287 HB2 PRO A 19 -0.876 6.667 -1.512 1.00 0.00 H +ATOM 288 HB3 PRO A 19 0.288 5.602 -2.384 1.00 0.00 H +ATOM 289 HG2 PRO A 19 -1.374 4.978 0.062 1.00 0.00 H +ATOM 290 HG3 PRO A 19 -1.084 3.963 -1.347 1.00 0.00 H +ATOM 291 HD2 PRO A 19 0.357 3.758 0.986 1.00 0.00 H +ATOM 292 HD3 PRO A 19 1.015 3.321 -0.613 1.00 0.00 H +ATOM 293 N SER A 20 0.671 8.718 0.173 1.00 0.00 N +ATOM 294 CA SER A 20 0.166 9.881 0.915 1.00 0.00 C +ATOM 295 C SER A 20 -0.789 10.667 0.023 1.00 0.00 C +ATOM 296 O SER A 20 -1.886 10.995 0.519 1.00 0.00 O +ATOM 297 CB SER A 20 1.319 10.782 1.355 1.00 0.00 C +ATOM 298 OG SER A 20 2.016 10.129 2.391 1.00 0.00 O +ATOM 299 OXT SER A 20 -0.396 10.900 -1.142 1.00 0.00 O +ATOM 300 H SER A 20 0.997 8.943 -0.756 1.00 0.00 H +ATOM 301 HA SER A 20 -0.403 9.569 1.792 1.00 0.00 H +ATOM 302 HB2 SER A 20 1.979 10.958 0.527 1.00 0.00 H +ATOM 303 HB3 SER A 20 0.933 11.738 1.713 1.00 0.00 H +ATOM 304 HG SER A 20 1.901 9.185 2.245 1.00 0.00 H +TER 305 SER A 20 +ENDMDL +MODEL 30 +ATOM 1 N ASN A 1 -6.460 7.364 0.613 1.00 0.00 N +ATOM 2 CA ASN A 1 -7.483 6.556 -0.103 1.00 0.00 C +ATOM 3 C ASN A 1 -6.889 5.287 -0.732 1.00 0.00 C +ATOM 4 O ASN A 1 -7.475 4.227 -0.571 1.00 0.00 O +ATOM 5 CB ASN A 1 -8.236 7.406 -1.144 1.00 0.00 C +ATOM 6 CG ASN A 1 -7.303 7.780 -2.289 1.00 0.00 C +ATOM 7 OD1 ASN A 1 -6.233 8.314 -2.043 1.00 0.00 O +ATOM 8 ND2 ASN A 1 -7.597 7.393 -3.514 1.00 0.00 N +ATOM 9 H1 ASN A 1 -5.878 6.774 1.192 1.00 0.00 H +ATOM 10 H2 ASN A 1 -5.887 7.854 -0.067 1.00 0.00 H +ATOM 11 H3 ASN A 1 -6.912 8.053 1.197 1.00 0.00 H +ATOM 12 HA ASN A 1 -8.216 6.208 0.628 1.00 0.00 H +ATOM 13 HB2 ASN A 1 -9.064 6.843 -1.530 1.00 0.00 H +ATOM 14 HB3 ASN A 1 -8.607 8.320 -0.677 1.00 0.00 H +ATOM 15 HD21 ASN A 1 -8.429 6.875 -3.745 1.00 0.00 H +ATOM 16 HD22 ASN A 1 -6.919 7.643 -4.219 1.00 0.00 H +ATOM 17 N LEU A 2 -5.741 5.358 -1.420 1.00 0.00 N +ATOM 18 CA LEU A 2 -5.100 4.220 -2.108 1.00 0.00 C +ATOM 19 C LEU A 2 -4.341 3.246 -1.180 1.00 0.00 C +ATOM 20 O LEU A 2 -3.776 2.254 -1.644 1.00 0.00 O +ATOM 21 CB LEU A 2 -4.211 4.795 -3.233 1.00 0.00 C +ATOM 22 CG LEU A 2 -5.026 4.979 -4.531 1.00 0.00 C +ATOM 23 CD1 LEU A 2 -4.502 6.140 -5.376 1.00 0.00 C +ATOM 24 CD2 LEU A 2 -5.004 3.695 -5.367 1.00 0.00 C +ATOM 25 H LEU A 2 -5.329 6.267 -1.601 1.00 0.00 H +ATOM 26 HA LEU A 2 -5.882 3.615 -2.569 1.00 0.00 H +ATOM 27 HB2 LEU A 2 -3.822 5.746 -2.923 1.00 0.00 H +ATOM 28 HB3 LEU A 2 -3.367 4.131 -3.434 1.00 0.00 H +ATOM 29 HG LEU A 2 -6.062 5.205 -4.277 1.00 0.00 H +ATOM 30 HD11 LEU A 2 -4.492 7.057 -4.785 1.00 0.00 H +ATOM 31 HD12 LEU A 2 -3.492 5.927 -5.725 1.00 0.00 H +ATOM 32 HD13 LEU A 2 -5.154 6.287 -6.238 1.00 0.00 H +ATOM 33 HD21 LEU A 2 -3.983 3.466 -5.675 1.00 0.00 H +ATOM 34 HD22 LEU A 2 -5.397 2.860 -4.791 1.00 0.00 H +ATOM 35 HD23 LEU A 2 -5.619 3.822 -6.259 1.00 0.00 H +ATOM 36 N TYR A 3 -4.369 3.488 0.136 1.00 0.00 N +ATOM 37 CA TYR A 3 -3.657 2.701 1.145 1.00 0.00 C +ATOM 38 C TYR A 3 -4.098 1.228 1.178 1.00 0.00 C +ATOM 39 O TYR A 3 -3.268 0.347 1.389 1.00 0.00 O +ATOM 40 CB TYR A 3 -3.837 3.357 2.523 1.00 0.00 C +ATOM 41 CG TYR A 3 -2.642 3.161 3.434 1.00 0.00 C +ATOM 42 CD1 TYR A 3 -2.458 1.945 4.120 1.00 0.00 C +ATOM 43 CD2 TYR A 3 -1.695 4.196 3.573 1.00 0.00 C +ATOM 44 CE1 TYR A 3 -1.331 1.761 4.945 1.00 0.00 C +ATOM 45 CE2 TYR A 3 -0.570 4.016 4.396 1.00 0.00 C +ATOM 46 CZ TYR A 3 -0.383 2.798 5.082 1.00 0.00 C +ATOM 47 OH TYR A 3 0.699 2.647 5.890 1.00 0.00 O +ATOM 48 H TYR A 3 -4.905 4.281 0.443 1.00 0.00 H +ATOM 49 HA TYR A 3 -2.597 2.723 0.895 1.00 0.00 H +ATOM 50 HB2 TYR A 3 -3.991 4.410 2.383 1.00 0.00 H +ATOM 51 HB3 TYR A 3 -4.732 2.959 3.008 1.00 0.00 H +ATOM 52 HD1 TYR A 3 -3.179 1.149 4.003 1.00 0.00 H +ATOM 53 HD2 TYR A 3 -1.824 5.137 3.055 1.00 0.00 H +ATOM 54 HE1 TYR A 3 -1.180 0.826 5.463 1.00 0.00 H +ATOM 55 HE2 TYR A 3 0.151 4.808 4.521 1.00 0.00 H +ATOM 56 HH TYR A 3 0.441 2.460 6.795 1.00 0.00 H +ATOM 57 N ILE A 4 -5.388 0.955 0.919 1.00 0.00 N +ATOM 58 CA ILE A 4 -5.920 -0.410 0.824 1.00 0.00 C +ATOM 59 C ILE A 4 -5.170 -1.190 -0.266 1.00 0.00 C +ATOM 60 O ILE A 4 -4.654 -2.276 -0.009 1.00 0.00 O +ATOM 61 CB ILE A 4 -7.449 -0.413 0.570 1.00 0.00 C +ATOM 62 CG1 ILE A 4 -8.252 0.393 1.623 1.00 0.00 C +ATOM 63 CG2 ILE A 4 -7.973 -1.860 0.555 1.00 0.00 C +ATOM 64 CD1 ILE A 4 -8.642 1.792 1.136 1.00 0.00 C +ATOM 65 H ILE A 4 -6.009 1.734 0.758 1.00 0.00 H +ATOM 66 HA ILE A 4 -5.730 -0.915 1.773 1.00 0.00 H +ATOM 67 HB ILE A 4 -7.642 0.008 -0.418 1.00 0.00 H +ATOM 68 HG12 ILE A 4 -9.148 -0.149 1.858 1.00 0.00 H +ATOM 69 HG13 ILE A 4 -7.684 0.477 2.549 1.00 0.00 H +ATOM 70 HG21 ILE A 4 -7.552 -2.404 -0.285 1.00 0.00 H +ATOM 71 HG22 ILE A 4 -7.704 -2.366 1.485 1.00 0.00 H +ATOM 72 HG23 ILE A 4 -9.059 -1.868 0.448 1.00 0.00 H +ATOM 73 HD11 ILE A 4 -7.779 2.452 1.188 1.00 0.00 H +ATOM 74 HD12 ILE A 4 -9.018 1.751 0.113 1.00 0.00 H +ATOM 75 HD13 ILE A 4 -9.431 2.192 1.775 1.00 0.00 H +ATOM 76 N GLN A 5 -5.097 -0.628 -1.481 1.00 0.00 N +ATOM 77 CA GLN A 5 -4.416 -1.240 -2.624 1.00 0.00 C +ATOM 78 C GLN A 5 -2.926 -1.482 -2.349 1.00 0.00 C +ATOM 79 O GLN A 5 -2.406 -2.535 -2.707 1.00 0.00 O +ATOM 80 CB GLN A 5 -4.601 -0.369 -3.878 1.00 0.00 C +ATOM 81 CG GLN A 5 -4.909 -1.238 -5.106 1.00 0.00 C +ATOM 82 CD GLN A 5 -4.680 -0.468 -6.398 1.00 0.00 C +ATOM 83 OE1 GLN A 5 -5.535 0.265 -6.866 1.00 0.00 O +ATOM 84 NE2 GLN A 5 -3.518 -0.604 -7.008 1.00 0.00 N +ATOM 85 H GLN A 5 -5.464 0.307 -1.591 1.00 0.00 H +ATOM 86 HA GLN A 5 -4.871 -2.214 -2.798 1.00 0.00 H +ATOM 87 HB2 GLN A 5 -5.414 0.312 -3.716 1.00 0.00 H +ATOM 88 HB3 GLN A 5 -3.691 0.207 -4.059 1.00 0.00 H +ATOM 89 HG2 GLN A 5 -4.269 -2.099 -5.094 1.00 0.00 H +ATOM 90 HG3 GLN A 5 -5.953 -1.554 -5.065 1.00 0.00 H +ATOM 91 HE21 GLN A 5 -2.791 -1.203 -6.654 1.00 0.00 H +ATOM 92 HE22 GLN A 5 -3.429 -0.080 -7.861 1.00 0.00 H +ATOM 93 N TRP A 6 -2.259 -0.532 -1.681 1.00 0.00 N +ATOM 94 CA TRP A 6 -0.876 -0.690 -1.231 1.00 0.00 C +ATOM 95 C TRP A 6 -0.716 -1.832 -0.211 1.00 0.00 C +ATOM 96 O TRP A 6 0.176 -2.668 -0.361 1.00 0.00 O +ATOM 97 CB TRP A 6 -0.374 0.647 -0.679 1.00 0.00 C +ATOM 98 CG TRP A 6 1.038 0.612 -0.187 1.00 0.00 C +ATOM 99 CD1 TRP A 6 2.141 0.697 -0.963 1.00 0.00 C +ATOM 100 CD2 TRP A 6 1.520 0.464 1.184 1.00 0.00 C +ATOM 101 NE1 TRP A 6 3.265 0.595 -0.168 1.00 0.00 N +ATOM 102 CE2 TRP A 6 2.944 0.448 1.159 1.00 0.00 C +ATOM 103 CE3 TRP A 6 0.902 0.355 2.448 1.00 0.00 C +ATOM 104 CZ2 TRP A 6 3.724 0.344 2.317 1.00 0.00 C +ATOM 105 CZ3 TRP A 6 1.675 0.244 3.623 1.00 0.00 C +ATOM 106 CH2 TRP A 6 3.080 0.249 3.561 1.00 0.00 C +ATOM 107 H TRP A 6 -2.752 0.326 -1.458 1.00 0.00 H +ATOM 108 HA TRP A 6 -0.260 -0.952 -2.093 1.00 0.00 H +ATOM 109 HB2 TRP A 6 -0.441 1.380 -1.459 1.00 0.00 H +ATOM 110 HB3 TRP A 6 -1.015 0.962 0.144 1.00 0.00 H +ATOM 111 HD1 TRP A 6 2.138 0.826 -2.038 1.00 0.00 H +ATOM 112 HE1 TRP A 6 4.223 0.685 -0.491 1.00 0.00 H +ATOM 113 HE3 TRP A 6 -0.175 0.378 2.506 1.00 0.00 H +ATOM 114 HZ2 TRP A 6 4.802 0.341 2.239 1.00 0.00 H +ATOM 115 HZ3 TRP A 6 1.187 0.174 4.582 1.00 0.00 H +ATOM 116 HH2 TRP A 6 3.663 0.185 4.467 1.00 0.00 H +ATOM 117 N LEU A 7 -1.599 -1.914 0.796 1.00 0.00 N +ATOM 118 CA LEU A 7 -1.593 -3.012 1.768 1.00 0.00 C +ATOM 119 C LEU A 7 -1.846 -4.384 1.129 1.00 0.00 C +ATOM 120 O LEU A 7 -1.193 -5.345 1.538 1.00 0.00 O +ATOM 121 CB LEU A 7 -2.602 -2.751 2.902 1.00 0.00 C +ATOM 122 CG LEU A 7 -2.105 -1.780 3.989 1.00 0.00 C +ATOM 123 CD1 LEU A 7 -3.232 -1.537 4.996 1.00 0.00 C +ATOM 124 CD2 LEU A 7 -0.894 -2.319 4.764 1.00 0.00 C +ATOM 125 H LEU A 7 -2.301 -1.181 0.888 1.00 0.00 H +ATOM 126 HA LEU A 7 -0.591 -3.074 2.189 1.00 0.00 H +ATOM 127 HB2 LEU A 7 -3.494 -2.341 2.469 1.00 0.00 H +ATOM 128 HB3 LEU A 7 -2.838 -3.699 3.387 1.00 0.00 H +ATOM 129 HG LEU A 7 -1.835 -0.833 3.527 1.00 0.00 H +ATOM 130 HD11 LEU A 7 -4.108 -1.139 4.483 1.00 0.00 H +ATOM 131 HD12 LEU A 7 -3.500 -2.472 5.489 1.00 0.00 H +ATOM 132 HD13 LEU A 7 -2.913 -0.822 5.752 1.00 0.00 H +ATOM 133 HD21 LEU A 7 -1.122 -3.301 5.179 1.00 0.00 H +ATOM 134 HD22 LEU A 7 -0.027 -2.398 4.112 1.00 0.00 H +ATOM 135 HD23 LEU A 7 -0.639 -1.639 5.576 1.00 0.00 H +ATOM 136 N LYS A 8 -2.722 -4.491 0.113 1.00 0.00 N +ATOM 137 CA LYS A 8 -2.959 -5.749 -0.626 1.00 0.00 C +ATOM 138 C LYS A 8 -1.683 -6.372 -1.201 1.00 0.00 C +ATOM 139 O LYS A 8 -1.595 -7.593 -1.269 1.00 0.00 O +ATOM 140 CB LYS A 8 -4.007 -5.555 -1.743 1.00 0.00 C +ATOM 141 CG LYS A 8 -5.443 -5.846 -1.265 1.00 0.00 C +ATOM 142 CD LYS A 8 -6.440 -4.718 -1.552 1.00 0.00 C +ATOM 143 CE LYS A 8 -6.997 -4.739 -2.978 1.00 0.00 C +ATOM 144 NZ LYS A 8 -7.865 -3.560 -3.222 1.00 0.00 N +ATOM 145 H LYS A 8 -3.252 -3.655 -0.124 1.00 0.00 H +ATOM 146 HA LYS A 8 -3.328 -6.495 0.081 1.00 0.00 H +ATOM 147 HB2 LYS A 8 -3.958 -4.540 -2.087 1.00 0.00 H +ATOM 148 HB3 LYS A 8 -3.787 -6.243 -2.562 1.00 0.00 H +ATOM 149 HG2 LYS A 8 -5.788 -6.734 -1.758 1.00 0.00 H +ATOM 150 HG3 LYS A 8 -5.439 -6.011 -0.187 1.00 0.00 H +ATOM 151 HD2 LYS A 8 -7.260 -4.808 -0.866 1.00 0.00 H +ATOM 152 HD3 LYS A 8 -5.951 -3.767 -1.378 1.00 0.00 H +ATOM 153 HE2 LYS A 8 -6.181 -4.725 -3.675 1.00 0.00 H +ATOM 154 HE3 LYS A 8 -7.572 -5.660 -3.111 1.00 0.00 H +ATOM 155 HZ1 LYS A 8 -8.644 -3.562 -2.574 1.00 0.00 H +ATOM 156 HZ2 LYS A 8 -7.341 -2.706 -3.093 1.00 0.00 H +ATOM 157 HZ3 LYS A 8 -8.232 -3.580 -4.164 1.00 0.00 H +ATOM 158 N ASP A 9 -0.696 -5.556 -1.580 1.00 0.00 N +ATOM 159 CA ASP A 9 0.598 -6.026 -2.075 1.00 0.00 C +ATOM 160 C ASP A 9 1.519 -6.577 -0.966 1.00 0.00 C +ATOM 161 O ASP A 9 2.545 -7.185 -1.279 1.00 0.00 O +ATOM 162 CB ASP A 9 1.286 -4.862 -2.807 1.00 0.00 C +ATOM 163 CG ASP A 9 2.136 -5.346 -3.982 1.00 0.00 C +ATOM 164 OD1 ASP A 9 1.579 -5.513 -5.084 1.00 0.00 O +ATOM 165 OD2 ASP A 9 3.373 -5.444 -3.814 1.00 0.00 O +ATOM 166 H ASP A 9 -0.850 -4.558 -1.514 1.00 0.00 H +ATOM 167 HA ASP A 9 0.421 -6.829 -2.794 1.00 0.00 H +ATOM 168 HB2 ASP A 9 0.534 -4.192 -3.177 1.00 0.00 H +ATOM 169 HB3 ASP A 9 1.907 -4.305 -2.103 1.00 0.00 H +ATOM 170 N GLY A 10 1.200 -6.338 0.319 1.00 0.00 N +ATOM 171 CA GLY A 10 1.994 -6.734 1.492 1.00 0.00 C +ATOM 172 C GLY A 10 2.551 -5.569 2.334 1.00 0.00 C +ATOM 173 O GLY A 10 3.261 -5.808 3.315 1.00 0.00 O +ATOM 174 H GLY A 10 0.312 -5.879 0.502 1.00 0.00 H +ATOM 175 HA2 GLY A 10 1.360 -7.337 2.142 1.00 0.00 H +ATOM 176 HA3 GLY A 10 2.835 -7.356 1.186 1.00 0.00 H +ATOM 177 N GLY A 11 2.238 -4.314 1.983 1.00 0.00 N +ATOM 178 CA GLY A 11 2.630 -3.135 2.756 1.00 0.00 C +ATOM 179 C GLY A 11 4.156 -2.921 2.790 1.00 0.00 C +ATOM 180 O GLY A 11 4.786 -2.907 1.729 1.00 0.00 O +ATOM 181 H GLY A 11 1.725 -4.177 1.122 1.00 0.00 H +ATOM 182 HA2 GLY A 11 2.172 -2.252 2.310 1.00 0.00 H +ATOM 183 HA3 GLY A 11 2.237 -3.250 3.763 1.00 0.00 H +ATOM 184 N PRO A 12 4.785 -2.743 3.974 1.00 0.00 N +ATOM 185 CA PRO A 12 6.237 -2.551 4.077 1.00 0.00 C +ATOM 186 C PRO A 12 7.066 -3.702 3.485 1.00 0.00 C +ATOM 187 O PRO A 12 8.207 -3.486 3.077 1.00 0.00 O +ATOM 188 CB PRO A 12 6.543 -2.392 5.572 1.00 0.00 C +ATOM 189 CG PRO A 12 5.203 -2.021 6.203 1.00 0.00 C +ATOM 190 CD PRO A 12 4.182 -2.709 5.300 1.00 0.00 C +ATOM 191 HA PRO A 12 6.501 -1.628 3.560 1.00 0.00 H +ATOM 192 HB2 PRO A 12 6.913 -3.312 5.983 1.00 0.00 H +ATOM 193 HB3 PRO A 12 7.291 -1.616 5.745 1.00 0.00 H +ATOM 194 HG2 PRO A 12 5.137 -2.391 7.208 1.00 0.00 H +ATOM 195 HG3 PRO A 12 5.065 -0.941 6.157 1.00 0.00 H +ATOM 196 HD2 PRO A 12 3.987 -3.705 5.648 1.00 0.00 H +ATOM 197 HD3 PRO A 12 3.247 -2.149 5.311 1.00 0.00 H +ATOM 198 N SER A 13 6.502 -4.917 3.405 1.00 0.00 N +ATOM 199 CA SER A 13 7.196 -6.128 2.940 1.00 0.00 C +ATOM 200 C SER A 13 7.128 -6.326 1.416 1.00 0.00 C +ATOM 201 O SER A 13 7.334 -7.437 0.931 1.00 0.00 O +ATOM 202 CB SER A 13 6.674 -7.367 3.682 1.00 0.00 C +ATOM 203 OG SER A 13 6.833 -7.217 5.081 1.00 0.00 O +ATOM 204 H SER A 13 5.524 -4.999 3.654 1.00 0.00 H +ATOM 205 HA SER A 13 8.254 -6.034 3.186 1.00 0.00 H +ATOM 206 HB2 SER A 13 5.633 -7.499 3.458 1.00 0.00 H +ATOM 207 HB3 SER A 13 7.251 -8.238 3.368 1.00 0.00 H +ATOM 208 HG SER A 13 6.115 -6.675 5.416 1.00 0.00 H +ATOM 209 N SER A 14 6.854 -5.257 0.662 1.00 0.00 N +ATOM 210 CA SER A 14 6.584 -5.293 -0.785 1.00 0.00 C +ATOM 211 C SER A 14 7.566 -4.459 -1.616 1.00 0.00 C +ATOM 212 O SER A 14 7.367 -4.289 -2.817 1.00 0.00 O +ATOM 213 CB SER A 14 5.146 -4.838 -1.031 1.00 0.00 C +ATOM 214 OG SER A 14 4.277 -5.620 -0.252 1.00 0.00 O +ATOM 215 H SER A 14 6.601 -4.410 1.157 1.00 0.00 H +ATOM 216 HA SER A 14 6.658 -6.321 -1.144 1.00 0.00 H +ATOM 217 HB2 SER A 14 5.044 -3.806 -0.757 1.00 0.00 H +ATOM 218 HB3 SER A 14 4.908 -4.937 -2.086 1.00 0.00 H +ATOM 219 HG SER A 14 3.762 -6.253 -0.814 1.00 0.00 H +ATOM 220 N GLY A 15 8.616 -3.911 -0.986 1.00 0.00 N +ATOM 221 CA GLY A 15 9.650 -3.115 -1.655 1.00 0.00 C +ATOM 222 C GLY A 15 9.148 -1.778 -2.215 1.00 0.00 C +ATOM 223 O GLY A 15 9.705 -1.282 -3.192 1.00 0.00 O +ATOM 224 H GLY A 15 8.720 -4.130 -0.003 1.00 0.00 H +ATOM 225 HA2 GLY A 15 10.451 -2.904 -0.947 1.00 0.00 H +ATOM 226 HA3 GLY A 15 10.069 -3.693 -2.479 1.00 0.00 H +ATOM 227 N ARG A 16 8.090 -1.203 -1.622 1.00 0.00 N +ATOM 228 CA ARG A 16 7.417 0.014 -2.096 1.00 0.00 C +ATOM 229 C ARG A 16 6.924 0.888 -0.926 1.00 0.00 C +ATOM 230 O ARG A 16 6.280 0.358 -0.018 1.00 0.00 O +ATOM 231 CB ARG A 16 6.269 -0.371 -3.052 1.00 0.00 C +ATOM 232 CG ARG A 16 5.250 -1.359 -2.458 1.00 0.00 C +ATOM 233 CD ARG A 16 4.104 -1.695 -3.419 1.00 0.00 C +ATOM 234 NE ARG A 16 4.341 -2.957 -4.134 1.00 0.00 N +ATOM 235 CZ ARG A 16 4.904 -3.201 -5.305 1.00 0.00 C +ATOM 236 NH1 ARG A 16 5.427 -2.257 -6.053 1.00 0.00 N +ATOM 237 NH2 ARG A 16 4.910 -4.436 -5.734 1.00 0.00 N +ATOM 238 H ARG A 16 7.706 -1.667 -0.809 1.00 0.00 H +ATOM 239 HA ARG A 16 8.145 0.582 -2.674 1.00 0.00 H +ATOM 240 HB2 ARG A 16 5.747 0.525 -3.327 1.00 0.00 H +ATOM 241 HB3 ARG A 16 6.708 -0.821 -3.943 1.00 0.00 H +ATOM 242 HG2 ARG A 16 5.762 -2.268 -2.207 1.00 0.00 H +ATOM 243 HG3 ARG A 16 4.813 -0.934 -1.563 1.00 0.00 H +ATOM 244 HD2 ARG A 16 3.194 -1.780 -2.857 1.00 0.00 H +ATOM 245 HD3 ARG A 16 3.933 -0.873 -4.115 1.00 0.00 H +ATOM 246 HE ARG A 16 3.985 -3.821 -3.714 1.00 0.00 H +ATOM 247 HH11 ARG A 16 5.402 -1.317 -5.706 1.00 0.00 H +ATOM 248 HH12 ARG A 16 5.836 -2.486 -6.938 1.00 0.00 H +ATOM 249 HH21 ARG A 16 4.381 -5.092 -5.130 1.00 0.00 H +ATOM 250 HH22 ARG A 16 5.299 -4.728 -6.606 1.00 0.00 H +ATOM 251 N PRO A 17 7.173 2.212 -0.928 1.00 0.00 N +ATOM 252 CA PRO A 17 6.709 3.107 0.135 1.00 0.00 C +ATOM 253 C PRO A 17 5.179 3.304 0.093 1.00 0.00 C +ATOM 254 O PRO A 17 4.572 3.105 -0.963 1.00 0.00 O +ATOM 255 CB PRO A 17 7.453 4.424 -0.105 1.00 0.00 C +ATOM 256 CG PRO A 17 7.690 4.435 -1.615 1.00 0.00 C +ATOM 257 CD PRO A 17 7.884 2.960 -1.955 1.00 0.00 C +ATOM 258 HA PRO A 17 6.996 2.696 1.103 1.00 0.00 H +ATOM 259 HB2 PRO A 17 6.854 5.262 0.195 1.00 0.00 H +ATOM 260 HB3 PRO A 17 8.414 4.395 0.413 1.00 0.00 H +ATOM 261 HG2 PRO A 17 6.842 4.840 -2.134 1.00 0.00 H +ATOM 262 HG3 PRO A 17 8.568 5.026 -1.881 1.00 0.00 H +ATOM 263 HD2 PRO A 17 7.475 2.744 -2.923 1.00 0.00 H +ATOM 264 HD3 PRO A 17 8.945 2.707 -1.917 1.00 0.00 H +ATOM 265 N PRO A 18 4.547 3.703 1.215 1.00 0.00 N +ATOM 266 CA PRO A 18 3.107 3.958 1.273 1.00 0.00 C +ATOM 267 C PRO A 18 2.718 5.246 0.522 1.00 0.00 C +ATOM 268 O PRO A 18 3.537 6.161 0.405 1.00 0.00 O +ATOM 269 CB PRO A 18 2.775 4.060 2.766 1.00 0.00 C +ATOM 270 CG PRO A 18 4.078 4.556 3.393 1.00 0.00 C +ATOM 271 CD PRO A 18 5.157 3.921 2.519 1.00 0.00 C +ATOM 272 HA PRO A 18 2.574 3.114 0.842 1.00 0.00 H +ATOM 273 HB2 PRO A 18 1.979 4.759 2.934 1.00 0.00 H +ATOM 274 HB3 PRO A 18 2.537 3.072 3.156 1.00 0.00 H +ATOM 275 HG2 PRO A 18 4.137 5.627 3.359 1.00 0.00 H +ATOM 276 HG3 PRO A 18 4.168 4.245 4.434 1.00 0.00 H +ATOM 277 HD2 PRO A 18 5.999 4.580 2.430 1.00 0.00 H +ATOM 278 HD3 PRO A 18 5.454 2.961 2.942 1.00 0.00 H +ATOM 279 N PRO A 19 1.462 5.356 0.042 1.00 0.00 N +ATOM 280 CA PRO A 19 0.965 6.565 -0.607 1.00 0.00 C +ATOM 281 C PRO A 19 0.679 7.670 0.424 1.00 0.00 C +ATOM 282 O PRO A 19 0.133 7.394 1.493 1.00 0.00 O +ATOM 283 CB PRO A 19 -0.307 6.120 -1.337 1.00 0.00 C +ATOM 284 CG PRO A 19 -0.842 4.980 -0.470 1.00 0.00 C +ATOM 285 CD PRO A 19 0.425 4.333 0.092 1.00 0.00 C +ATOM 286 HA PRO A 19 1.694 6.927 -1.334 1.00 0.00 H +ATOM 287 HB2 PRO A 19 -1.016 6.923 -1.394 1.00 0.00 H +ATOM 288 HB3 PRO A 19 -0.038 5.730 -2.321 1.00 0.00 H +ATOM 289 HG2 PRO A 19 -1.462 5.358 0.320 1.00 0.00 H +ATOM 290 HG3 PRO A 19 -1.427 4.271 -1.057 1.00 0.00 H +ATOM 291 HD2 PRO A 19 0.263 4.017 1.104 1.00 0.00 H +ATOM 292 HD3 PRO A 19 0.718 3.493 -0.537 1.00 0.00 H +ATOM 293 N SER A 20 1.033 8.915 0.077 1.00 0.00 N +ATOM 294 CA SER A 20 0.705 10.139 0.828 1.00 0.00 C +ATOM 295 C SER A 20 -0.786 10.478 0.742 1.00 0.00 C +ATOM 296 O SER A 20 -1.375 10.693 1.822 1.00 0.00 O +ATOM 297 CB SER A 20 1.520 11.322 0.296 1.00 0.00 C +ATOM 298 OG SER A 20 2.902 11.054 0.415 1.00 0.00 O +ATOM 299 OXT SER A 20 -1.297 10.548 -0.398 1.00 0.00 O +ATOM 300 H SER A 20 1.493 9.051 -0.810 1.00 0.00 H +ATOM 301 HA SER A 20 0.929 9.985 1.882 1.00 0.00 H +ATOM 302 HB2 SER A 20 1.278 11.484 -0.737 1.00 0.00 H +ATOM 303 HB3 SER A 20 1.270 12.218 0.868 1.00 0.00 H +ATOM 304 HG SER A 20 3.079 10.774 1.317 1.00 0.00 H +TER 305 SER A 20 +ENDMDL +MODEL 31 +ATOM 1 N ASN A 1 -5.909 7.522 0.267 1.00 0.00 N +ATOM 2 CA ASN A 1 -6.878 6.859 -0.640 1.00 0.00 C +ATOM 3 C ASN A 1 -6.387 5.474 -1.074 1.00 0.00 C +ATOM 4 O ASN A 1 -7.073 4.506 -0.795 1.00 0.00 O +ATOM 5 CB ASN A 1 -7.238 7.752 -1.848 1.00 0.00 C +ATOM 6 CG ASN A 1 -6.030 7.972 -2.754 1.00 0.00 C +ATOM 7 OD1 ASN A 1 -4.939 8.212 -2.259 1.00 0.00 O +ATOM 8 ND2 ASN A 1 -6.143 7.768 -4.052 1.00 0.00 N +ATOM 9 H1 ASN A 1 -5.599 6.883 0.986 1.00 0.00 H +ATOM 10 H2 ASN A 1 -5.112 7.842 -0.277 1.00 0.00 H +ATOM 11 H3 ASN A 1 -6.337 8.328 0.703 1.00 0.00 H +ATOM 12 HA ASN A 1 -7.798 6.680 -0.079 1.00 0.00 H +ATOM 13 HB2 ASN A 1 -8.017 7.278 -2.413 1.00 0.00 H +ATOM 14 HB3 ASN A 1 -7.592 8.722 -1.493 1.00 0.00 H +ATOM 15 HD21 ASN A 1 -7.007 7.508 -4.498 1.00 0.00 H +ATOM 16 HD22 ASN A 1 -5.297 7.914 -4.581 1.00 0.00 H +ATOM 17 N LEU A 2 -5.214 5.357 -1.714 1.00 0.00 N +ATOM 18 CA LEU A 2 -4.723 4.133 -2.374 1.00 0.00 C +ATOM 19 C LEU A 2 -4.072 3.112 -1.410 1.00 0.00 C +ATOM 20 O LEU A 2 -3.514 2.099 -1.824 1.00 0.00 O +ATOM 21 CB LEU A 2 -3.784 4.570 -3.527 1.00 0.00 C +ATOM 22 CG LEU A 2 -4.051 3.825 -4.857 1.00 0.00 C +ATOM 23 CD1 LEU A 2 -4.094 4.806 -6.033 1.00 0.00 C +ATOM 24 CD2 LEU A 2 -2.990 2.766 -5.156 1.00 0.00 C +ATOM 25 H LEU A 2 -4.694 6.204 -1.928 1.00 0.00 H +ATOM 26 HA LEU A 2 -5.592 3.628 -2.801 1.00 0.00 H +ATOM 27 HB2 LEU A 2 -3.918 5.621 -3.694 1.00 0.00 H +ATOM 28 HB3 LEU A 2 -2.742 4.452 -3.229 1.00 0.00 H +ATOM 29 HG LEU A 2 -5.023 3.338 -4.815 1.00 0.00 H +ATOM 30 HD11 LEU A 2 -4.920 5.505 -5.900 1.00 0.00 H +ATOM 31 HD12 LEU A 2 -3.158 5.361 -6.096 1.00 0.00 H +ATOM 32 HD13 LEU A 2 -4.250 4.259 -6.963 1.00 0.00 H +ATOM 33 HD21 LEU A 2 -2.068 3.238 -5.500 1.00 0.00 H +ATOM 34 HD22 LEU A 2 -2.771 2.189 -4.262 1.00 0.00 H +ATOM 35 HD23 LEU A 2 -3.360 2.093 -5.930 1.00 0.00 H +ATOM 36 N TYR A 3 -4.158 3.379 -0.100 1.00 0.00 N +ATOM 37 CA TYR A 3 -3.550 2.591 0.970 1.00 0.00 C +ATOM 38 C TYR A 3 -4.064 1.142 1.019 1.00 0.00 C +ATOM 39 O TYR A 3 -3.312 0.246 1.398 1.00 0.00 O +ATOM 40 CB TYR A 3 -3.780 3.308 2.312 1.00 0.00 C +ATOM 41 CG TYR A 3 -2.551 3.326 3.197 1.00 0.00 C +ATOM 42 CD1 TYR A 3 -2.261 2.225 4.024 1.00 0.00 C +ATOM 43 CD2 TYR A 3 -1.687 4.439 3.181 1.00 0.00 C +ATOM 44 CE1 TYR A 3 -1.106 2.230 4.829 1.00 0.00 C +ATOM 45 CE2 TYR A 3 -0.529 4.448 3.976 1.00 0.00 C +ATOM 46 CZ TYR A 3 -0.232 3.340 4.800 1.00 0.00 C +ATOM 47 OH TYR A 3 0.880 3.349 5.583 1.00 0.00 O +ATOM 48 H TYR A 3 -4.674 4.203 0.150 1.00 0.00 H +ATOM 49 HA TYR A 3 -2.477 2.550 0.784 1.00 0.00 H +ATOM 50 HB2 TYR A 3 -4.071 4.321 2.112 1.00 0.00 H +ATOM 51 HB3 TYR A 3 -4.604 2.835 2.848 1.00 0.00 H +ATOM 52 HD1 TYR A 3 -2.925 1.374 4.033 1.00 0.00 H +ATOM 53 HD2 TYR A 3 -1.899 5.294 2.555 1.00 0.00 H +ATOM 54 HE1 TYR A 3 -0.876 1.391 5.467 1.00 0.00 H +ATOM 55 HE2 TYR A 3 0.134 5.301 3.953 1.00 0.00 H +ATOM 56 HH TYR A 3 0.691 3.713 6.450 1.00 0.00 H +ATOM 57 N ILE A 4 -5.318 0.899 0.604 1.00 0.00 N +ATOM 58 CA ILE A 4 -5.916 -0.442 0.543 1.00 0.00 C +ATOM 59 C ILE A 4 -5.144 -1.321 -0.447 1.00 0.00 C +ATOM 60 O ILE A 4 -4.704 -2.405 -0.072 1.00 0.00 O +ATOM 61 CB ILE A 4 -7.426 -0.393 0.201 1.00 0.00 C +ATOM 62 CG1 ILE A 4 -8.210 0.560 1.137 1.00 0.00 C +ATOM 63 CG2 ILE A 4 -8.041 -1.802 0.286 1.00 0.00 C +ATOM 64 CD1 ILE A 4 -8.670 1.817 0.395 1.00 0.00 C +ATOM 65 H ILE A 4 -5.870 1.690 0.302 1.00 0.00 H +ATOM 66 HA ILE A 4 -5.811 -0.900 1.529 1.00 0.00 H +ATOM 67 HB ILE A 4 -7.537 -0.053 -0.832 1.00 0.00 H +ATOM 68 HG12 ILE A 4 -9.071 0.045 1.518 1.00 0.00 H +ATOM 69 HG13 ILE A 4 -7.591 0.854 1.986 1.00 0.00 H +ATOM 70 HG21 ILE A 4 -7.564 -2.474 -0.427 1.00 0.00 H +ATOM 71 HG22 ILE A 4 -7.920 -2.203 1.294 1.00 0.00 H +ATOM 72 HG23 ILE A 4 -9.103 -1.755 0.046 1.00 0.00 H +ATOM 73 HD11 ILE A 4 -7.834 2.238 -0.159 1.00 0.00 H +ATOM 74 HD12 ILE A 4 -9.467 1.560 -0.304 1.00 0.00 H +ATOM 75 HD13 ILE A 4 -9.041 2.553 1.108 1.00 0.00 H +ATOM 76 N GLN A 5 -4.941 -0.843 -1.684 1.00 0.00 N +ATOM 77 CA GLN A 5 -4.117 -1.514 -2.693 1.00 0.00 C +ATOM 78 C GLN A 5 -2.686 -1.746 -2.187 1.00 0.00 C +ATOM 79 O GLN A 5 -2.209 -2.879 -2.229 1.00 0.00 O +ATOM 80 CB GLN A 5 -4.134 -0.708 -4.002 1.00 0.00 C +ATOM 81 CG GLN A 5 -5.442 -0.901 -4.795 1.00 0.00 C +ATOM 82 CD GLN A 5 -6.166 0.412 -5.082 1.00 0.00 C +ATOM 83 OE1 GLN A 5 -6.464 1.188 -4.184 1.00 0.00 O +ATOM 84 NE2 GLN A 5 -6.497 0.688 -6.330 1.00 0.00 N +ATOM 85 H GLN A 5 -5.307 0.072 -1.913 1.00 0.00 H +ATOM 86 HA GLN A 5 -4.539 -2.498 -2.896 1.00 0.00 H +ATOM 87 HB2 GLN A 5 -4.024 0.333 -3.767 1.00 0.00 H +ATOM 88 HB3 GLN A 5 -3.302 -1.031 -4.631 1.00 0.00 H +ATOM 89 HG2 GLN A 5 -5.209 -1.374 -5.729 1.00 0.00 H +ATOM 90 HG3 GLN A 5 -6.129 -1.543 -4.244 1.00 0.00 H +ATOM 91 HE21 GLN A 5 -6.283 0.067 -7.093 1.00 0.00 H +ATOM 92 HE22 GLN A 5 -7.002 1.548 -6.458 1.00 0.00 H +ATOM 93 N TRP A 6 -2.034 -0.709 -1.645 1.00 0.00 N +ATOM 94 CA TRP A 6 -0.678 -0.829 -1.093 1.00 0.00 C +ATOM 95 C TRP A 6 -0.567 -1.888 0.023 1.00 0.00 C +ATOM 96 O TRP A 6 0.376 -2.684 0.030 1.00 0.00 O +ATOM 97 CB TRP A 6 -0.200 0.546 -0.612 1.00 0.00 C +ATOM 98 CG TRP A 6 1.200 0.544 -0.082 1.00 0.00 C +ATOM 99 CD1 TRP A 6 2.322 0.559 -0.836 1.00 0.00 C +ATOM 100 CD2 TRP A 6 1.651 0.467 1.306 1.00 0.00 C +ATOM 101 NE1 TRP A 6 3.427 0.481 -0.014 1.00 0.00 N +ATOM 102 CE2 TRP A 6 3.075 0.428 1.313 1.00 0.00 C +ATOM 103 CE3 TRP A 6 1.006 0.418 2.560 1.00 0.00 C +ATOM 104 CZ2 TRP A 6 3.828 0.362 2.492 1.00 0.00 C +ATOM 105 CZ3 TRP A 6 1.749 0.341 3.754 1.00 0.00 C +ATOM 106 CH2 TRP A 6 3.155 0.321 3.723 1.00 0.00 C +ATOM 107 H TRP A 6 -2.492 0.198 -1.645 1.00 0.00 H +ATOM 108 HA TRP A 6 -0.016 -1.157 -1.898 1.00 0.00 H +ATOM 109 HB2 TRP A 6 -0.249 1.230 -1.438 1.00 0.00 H +ATOM 110 HB3 TRP A 6 -0.866 0.904 0.171 1.00 0.00 H +ATOM 111 HD1 TRP A 6 2.344 0.600 -1.918 1.00 0.00 H +ATOM 112 HE1 TRP A 6 4.399 0.465 -0.330 1.00 0.00 H +ATOM 113 HE3 TRP A 6 -0.073 0.449 2.593 1.00 0.00 H +ATOM 114 HZ2 TRP A 6 4.906 0.339 2.439 1.00 0.00 H +ATOM 115 HZ3 TRP A 6 1.239 0.310 4.706 1.00 0.00 H +ATOM 116 HH2 TRP A 6 3.716 0.279 4.647 1.00 0.00 H +ATOM 117 N LEU A 7 -1.531 -1.946 0.950 1.00 0.00 N +ATOM 118 CA LEU A 7 -1.587 -3.012 1.954 1.00 0.00 C +ATOM 119 C LEU A 7 -1.883 -4.387 1.338 1.00 0.00 C +ATOM 120 O LEU A 7 -1.259 -5.363 1.752 1.00 0.00 O +ATOM 121 CB LEU A 7 -2.605 -2.670 3.056 1.00 0.00 C +ATOM 122 CG LEU A 7 -2.118 -1.596 4.051 1.00 0.00 C +ATOM 123 CD1 LEU A 7 -3.255 -1.244 5.014 1.00 0.00 C +ATOM 124 CD2 LEU A 7 -0.920 -2.061 4.892 1.00 0.00 C +ATOM 125 H LEU A 7 -2.264 -1.238 0.941 1.00 0.00 H +ATOM 126 HA LEU A 7 -0.599 -3.102 2.404 1.00 0.00 H +ATOM 127 HB2 LEU A 7 -3.502 -2.314 2.587 1.00 0.00 H +ATOM 128 HB3 LEU A 7 -2.828 -3.576 3.621 1.00 0.00 H +ATOM 129 HG LEU A 7 -1.835 -0.698 3.507 1.00 0.00 H +ATOM 130 HD11 LEU A 7 -4.107 -0.863 4.451 1.00 0.00 H +ATOM 131 HD12 LEU A 7 -3.559 -2.129 5.572 1.00 0.00 H +ATOM 132 HD13 LEU A 7 -2.924 -0.478 5.716 1.00 0.00 H +ATOM 133 HD21 LEU A 7 -1.159 -2.994 5.401 1.00 0.00 H +ATOM 134 HD22 LEU A 7 -0.046 -2.207 4.261 1.00 0.00 H +ATOM 135 HD23 LEU A 7 -0.673 -1.303 5.635 1.00 0.00 H +ATOM 136 N LYS A 8 -2.772 -4.477 0.334 1.00 0.00 N +ATOM 137 CA LYS A 8 -3.105 -5.716 -0.398 1.00 0.00 C +ATOM 138 C LYS A 8 -1.879 -6.425 -0.982 1.00 0.00 C +ATOM 139 O LYS A 8 -1.855 -7.653 -0.986 1.00 0.00 O +ATOM 140 CB LYS A 8 -4.125 -5.413 -1.517 1.00 0.00 C +ATOM 141 CG LYS A 8 -5.509 -6.032 -1.296 1.00 0.00 C +ATOM 142 CD LYS A 8 -5.571 -7.539 -1.610 1.00 0.00 C +ATOM 143 CE LYS A 8 -6.790 -7.876 -2.484 1.00 0.00 C +ATOM 144 NZ LYS A 8 -6.467 -7.814 -3.931 1.00 0.00 N +ATOM 145 H LYS A 8 -3.262 -3.623 0.071 1.00 0.00 H +ATOM 146 HA LYS A 8 -3.545 -6.418 0.311 1.00 0.00 H +ATOM 147 HB2 LYS A 8 -4.241 -4.349 -1.587 1.00 0.00 H +ATOM 148 HB3 LYS A 8 -3.737 -5.743 -2.483 1.00 0.00 H +ATOM 149 HG2 LYS A 8 -5.784 -5.888 -0.269 1.00 0.00 H +ATOM 150 HG3 LYS A 8 -6.212 -5.498 -1.938 1.00 0.00 H +ATOM 151 HD2 LYS A 8 -4.677 -7.825 -2.131 1.00 0.00 H +ATOM 152 HD3 LYS A 8 -5.653 -8.084 -0.669 1.00 0.00 H +ATOM 153 HE2 LYS A 8 -7.125 -8.867 -2.245 1.00 0.00 H +ATOM 154 HE3 LYS A 8 -7.598 -7.177 -2.246 1.00 0.00 H +ATOM 155 HZ1 LYS A 8 -6.123 -6.897 -4.179 1.00 0.00 H +ATOM 156 HZ2 LYS A 8 -5.753 -8.496 -4.155 1.00 0.00 H +ATOM 157 HZ3 LYS A 8 -7.289 -8.017 -4.487 1.00 0.00 H +ATOM 158 N ASP A 9 -0.876 -5.673 -1.449 1.00 0.00 N +ATOM 159 CA ASP A 9 0.398 -6.223 -1.930 1.00 0.00 C +ATOM 160 C ASP A 9 1.311 -6.762 -0.805 1.00 0.00 C +ATOM 161 O ASP A 9 2.203 -7.564 -1.082 1.00 0.00 O +ATOM 162 CB ASP A 9 1.147 -5.144 -2.731 1.00 0.00 C +ATOM 163 CG ASP A 9 0.467 -4.801 -4.061 1.00 0.00 C +ATOM 164 OD1 ASP A 9 0.157 -5.754 -4.813 1.00 0.00 O +ATOM 165 OD2 ASP A 9 0.290 -3.591 -4.324 1.00 0.00 O +ATOM 166 H ASP A 9 -1.030 -4.670 -1.499 1.00 0.00 H +ATOM 167 HA ASP A 9 0.195 -7.060 -2.600 1.00 0.00 H +ATOM 168 HB2 ASP A 9 1.201 -4.253 -2.136 1.00 0.00 H +ATOM 169 HB3 ASP A 9 2.152 -5.505 -2.957 1.00 0.00 H +ATOM 170 N GLY A 10 1.096 -6.352 0.456 1.00 0.00 N +ATOM 171 CA GLY A 10 1.939 -6.705 1.606 1.00 0.00 C +ATOM 172 C GLY A 10 2.565 -5.512 2.347 1.00 0.00 C +ATOM 173 O GLY A 10 3.435 -5.730 3.206 1.00 0.00 O +ATOM 174 H GLY A 10 0.261 -5.800 0.631 1.00 0.00 H +ATOM 175 HA2 GLY A 10 1.326 -7.256 2.320 1.00 0.00 H +ATOM 176 HA3 GLY A 10 2.746 -7.365 1.289 1.00 0.00 H +ATOM 177 N GLY A 11 2.176 -4.272 2.029 1.00 0.00 N +ATOM 178 CA GLY A 11 2.626 -3.057 2.710 1.00 0.00 C +ATOM 179 C GLY A 11 4.158 -2.915 2.747 1.00 0.00 C +ATOM 180 O GLY A 11 4.789 -2.963 1.691 1.00 0.00 O +ATOM 181 H GLY A 11 1.547 -4.148 1.241 1.00 0.00 H +ATOM 182 HA2 GLY A 11 2.223 -2.195 2.180 1.00 0.00 H +ATOM 183 HA3 GLY A 11 2.209 -3.058 3.715 1.00 0.00 H +ATOM 184 N PRO A 12 4.800 -2.763 3.930 1.00 0.00 N +ATOM 185 CA PRO A 12 6.259 -2.630 4.030 1.00 0.00 C +ATOM 186 C PRO A 12 7.037 -3.777 3.366 1.00 0.00 C +ATOM 187 O PRO A 12 8.146 -3.571 2.879 1.00 0.00 O +ATOM 188 CB PRO A 12 6.578 -2.563 5.529 1.00 0.00 C +ATOM 189 CG PRO A 12 5.267 -2.123 6.174 1.00 0.00 C +ATOM 190 CD PRO A 12 4.203 -2.726 5.258 1.00 0.00 C +ATOM 191 HA PRO A 12 6.554 -1.691 3.560 1.00 0.00 H +ATOM 192 HB2 PRO A 12 6.879 -3.525 5.897 1.00 0.00 H +ATOM 193 HB3 PRO A 12 7.381 -1.855 5.734 1.00 0.00 H +ATOM 194 HG2 PRO A 12 5.180 -2.511 7.171 1.00 0.00 H +ATOM 195 HG3 PRO A 12 5.195 -1.035 6.150 1.00 0.00 H +ATOM 196 HD2 PRO A 12 3.949 -3.717 5.582 1.00 0.00 H +ATOM 197 HD3 PRO A 12 3.303 -2.112 5.287 1.00 0.00 H +ATOM 198 N SER A 13 6.444 -4.979 3.307 1.00 0.00 N +ATOM 199 CA SER A 13 7.043 -6.156 2.670 1.00 0.00 C +ATOM 200 C SER A 13 6.983 -6.137 1.130 1.00 0.00 C +ATOM 201 O SER A 13 7.548 -7.021 0.494 1.00 0.00 O +ATOM 202 CB SER A 13 6.428 -7.435 3.253 1.00 0.00 C +ATOM 203 OG SER A 13 5.089 -7.644 2.842 1.00 0.00 O +ATOM 204 H SER A 13 5.500 -5.052 3.666 1.00 0.00 H +ATOM 205 HA SER A 13 8.101 -6.173 2.933 1.00 0.00 H +ATOM 206 HB2 SER A 13 7.018 -8.273 2.935 1.00 0.00 H +ATOM 207 HB3 SER A 13 6.467 -7.386 4.343 1.00 0.00 H +ATOM 208 HG SER A 13 4.507 -6.893 3.104 1.00 0.00 H +ATOM 209 N SER A 14 6.343 -5.125 0.518 1.00 0.00 N +ATOM 210 CA SER A 14 6.214 -4.963 -0.941 1.00 0.00 C +ATOM 211 C SER A 14 7.325 -4.127 -1.595 1.00 0.00 C +ATOM 212 O SER A 14 7.306 -3.936 -2.809 1.00 0.00 O +ATOM 213 CB SER A 14 4.882 -4.280 -1.265 1.00 0.00 C +ATOM 214 OG SER A 14 3.823 -4.982 -0.663 1.00 0.00 O +ATOM 215 H SER A 14 5.902 -4.413 1.097 1.00 0.00 H +ATOM 216 HA SER A 14 6.217 -5.946 -1.415 1.00 0.00 H +ATOM 217 HB2 SER A 14 4.899 -3.274 -0.893 1.00 0.00 H +ATOM 218 HB3 SER A 14 4.731 -4.256 -2.345 1.00 0.00 H +ATOM 219 HG SER A 14 4.199 -5.674 -0.113 1.00 0.00 H +ATOM 220 N GLY A 15 8.258 -3.554 -0.822 1.00 0.00 N +ATOM 221 CA GLY A 15 9.356 -2.717 -1.330 1.00 0.00 C +ATOM 222 C GLY A 15 8.956 -1.287 -1.733 1.00 0.00 C +ATOM 223 O GLY A 15 9.753 -0.366 -1.564 1.00 0.00 O +ATOM 224 H GLY A 15 8.204 -3.723 0.175 1.00 0.00 H +ATOM 225 HA2 GLY A 15 10.135 -2.654 -0.570 1.00 0.00 H +ATOM 226 HA3 GLY A 15 9.789 -3.199 -2.207 1.00 0.00 H +ATOM 227 N ARG A 16 7.740 -1.078 -2.255 1.00 0.00 N +ATOM 228 CA ARG A 16 7.196 0.244 -2.606 1.00 0.00 C +ATOM 229 C ARG A 16 6.800 1.026 -1.334 1.00 0.00 C +ATOM 230 O ARG A 16 6.153 0.438 -0.465 1.00 0.00 O +ATOM 231 CB ARG A 16 6.004 0.043 -3.562 1.00 0.00 C +ATOM 232 CG ARG A 16 5.598 1.337 -4.286 1.00 0.00 C +ATOM 233 CD ARG A 16 4.649 1.070 -5.464 1.00 0.00 C +ATOM 234 NE ARG A 16 5.376 0.549 -6.647 1.00 0.00 N +ATOM 235 CZ ARG A 16 5.988 1.239 -7.584 1.00 0.00 C +ATOM 236 NH1 ARG A 16 6.011 2.568 -7.581 1.00 0.00 N +ATOM 237 NH2 ARG A 16 6.613 0.642 -8.574 1.00 0.00 N +ATOM 238 H ARG A 16 7.177 -1.909 -2.406 1.00 0.00 H +ATOM 239 HA ARG A 16 7.984 0.785 -3.128 1.00 0.00 H +ATOM 240 HB2 ARG A 16 6.273 -0.691 -4.297 1.00 0.00 H +ATOM 241 HB3 ARG A 16 5.146 -0.347 -3.007 1.00 0.00 H +ATOM 242 HG2 ARG A 16 5.106 1.985 -3.586 1.00 0.00 H +ATOM 243 HG3 ARG A 16 6.488 1.833 -4.670 1.00 0.00 H +ATOM 244 HD2 ARG A 16 3.914 0.349 -5.162 1.00 0.00 H +ATOM 245 HD3 ARG A 16 4.142 2.000 -5.728 1.00 0.00 H +ATOM 246 HE ARG A 16 5.404 -0.458 -6.736 1.00 0.00 H +ATOM 247 HH11 ARG A 16 5.535 3.037 -6.833 1.00 0.00 H +ATOM 248 HH12 ARG A 16 6.471 3.081 -8.301 1.00 0.00 H +ATOM 249 HH21 ARG A 16 6.628 -0.366 -8.623 1.00 0.00 H +ATOM 250 HH22 ARG A 16 7.076 1.176 -9.280 1.00 0.00 H +ATOM 251 N PRO A 17 7.126 2.330 -1.200 1.00 0.00 N +ATOM 252 CA PRO A 17 6.809 3.113 0.002 1.00 0.00 C +ATOM 253 C PRO A 17 5.294 3.369 0.169 1.00 0.00 C +ATOM 254 O PRO A 17 4.551 3.273 -0.812 1.00 0.00 O +ATOM 255 CB PRO A 17 7.588 4.425 -0.160 1.00 0.00 C +ATOM 256 CG PRO A 17 7.688 4.594 -1.672 1.00 0.00 C +ATOM 257 CD PRO A 17 7.850 3.156 -2.157 1.00 0.00 C +ATOM 258 HA PRO A 17 7.177 2.582 0.880 1.00 0.00 H +ATOM 259 HB2 PRO A 17 7.056 5.245 0.283 1.00 0.00 H +ATOM 260 HB3 PRO A 17 8.589 4.309 0.258 1.00 0.00 H +ATOM 261 HG2 PRO A 17 6.798 5.040 -2.072 1.00 0.00 H +ATOM 262 HG3 PRO A 17 8.535 5.216 -1.960 1.00 0.00 H +ATOM 263 HD2 PRO A 17 7.432 3.044 -3.139 1.00 0.00 H +ATOM 264 HD3 PRO A 17 8.905 2.879 -2.151 1.00 0.00 H +ATOM 265 N PRO A 18 4.828 3.720 1.386 1.00 0.00 N +ATOM 266 CA PRO A 18 3.415 3.979 1.661 1.00 0.00 C +ATOM 267 C PRO A 18 2.921 5.257 0.956 1.00 0.00 C +ATOM 268 O PRO A 18 3.633 6.262 0.960 1.00 0.00 O +ATOM 269 CB PRO A 18 3.307 4.111 3.185 1.00 0.00 C +ATOM 270 CG PRO A 18 4.701 4.568 3.609 1.00 0.00 C +ATOM 271 CD PRO A 18 5.614 3.867 2.605 1.00 0.00 C +ATOM 272 HA PRO A 18 2.830 3.121 1.340 1.00 0.00 H +ATOM 273 HB2 PRO A 18 2.567 4.840 3.454 1.00 0.00 H +ATOM 274 HB3 PRO A 18 3.099 3.135 3.621 1.00 0.00 H +ATOM 275 HG2 PRO A 18 4.796 5.634 3.537 1.00 0.00 H +ATOM 276 HG3 PRO A 18 4.929 4.279 4.636 1.00 0.00 H +ATOM 277 HD2 PRO A 18 6.488 4.461 2.417 1.00 0.00 H +ATOM 278 HD3 PRO A 18 5.884 2.880 2.982 1.00 0.00 H +ATOM 279 N PRO A 19 1.704 5.254 0.376 1.00 0.00 N +ATOM 280 CA PRO A 19 1.131 6.433 -0.268 1.00 0.00 C +ATOM 281 C PRO A 19 0.578 7.422 0.772 1.00 0.00 C +ATOM 282 O PRO A 19 -0.096 7.022 1.725 1.00 0.00 O +ATOM 283 CB PRO A 19 0.032 5.878 -1.180 1.00 0.00 C +ATOM 284 CG PRO A 19 -0.464 4.639 -0.433 1.00 0.00 C +ATOM 285 CD PRO A 19 0.792 4.121 0.270 1.00 0.00 C +ATOM 286 HA PRO A 19 1.886 6.934 -0.875 1.00 0.00 H +ATOM 287 HB2 PRO A 19 -0.759 6.592 -1.305 1.00 0.00 H +ATOM 288 HB3 PRO A 19 0.474 5.572 -2.129 1.00 0.00 H +ATOM 289 HG2 PRO A 19 -1.223 4.899 0.279 1.00 0.00 H +ATOM 290 HG3 PRO A 19 -0.879 3.897 -1.115 1.00 0.00 H +ATOM 291 HD2 PRO A 19 0.545 3.752 1.247 1.00 0.00 H +ATOM 292 HD3 PRO A 19 1.257 3.344 -0.337 1.00 0.00 H +ATOM 293 N SER A 20 0.825 8.716 0.549 1.00 0.00 N +ATOM 294 CA SER A 20 0.360 9.847 1.362 1.00 0.00 C +ATOM 295 C SER A 20 -0.255 10.948 0.496 1.00 0.00 C +ATOM 296 O SER A 20 0.173 11.092 -0.672 1.00 0.00 O +ATOM 297 CB SER A 20 1.496 10.383 2.241 1.00 0.00 C +ATOM 298 OG SER A 20 2.667 10.641 1.485 1.00 0.00 O +ATOM 299 OXT SER A 20 -1.188 11.592 1.023 1.00 0.00 O +ATOM 300 H SER A 20 1.372 9.005 -0.251 1.00 0.00 H +ATOM 301 HA SER A 20 -0.439 9.514 2.020 1.00 0.00 H +ATOM 302 HB2 SER A 20 1.175 11.295 2.707 1.00 0.00 H +ATOM 303 HB3 SER A 20 1.726 9.639 3.008 1.00 0.00 H +ATOM 304 HG SER A 20 3.313 11.084 2.036 1.00 0.00 H +TER 305 SER A 20 +ENDMDL +MODEL 32 +ATOM 1 N ASN A 1 -6.852 6.802 0.784 1.00 0.00 N +ATOM 2 CA ASN A 1 -7.569 5.905 -0.155 1.00 0.00 C +ATOM 3 C ASN A 1 -6.675 4.784 -0.685 1.00 0.00 C +ATOM 4 O ASN A 1 -6.907 3.637 -0.312 1.00 0.00 O +ATOM 5 CB ASN A 1 -8.306 6.688 -1.259 1.00 0.00 C +ATOM 6 CG ASN A 1 -9.658 7.144 -0.720 1.00 0.00 C +ATOM 7 OD1 ASN A 1 -10.402 6.342 -0.185 1.00 0.00 O +ATOM 8 ND2 ASN A 1 -9.997 8.418 -0.771 1.00 0.00 N +ATOM 9 H1 ASN A 1 -6.406 6.262 1.512 1.00 0.00 H +ATOM 10 H2 ASN A 1 -6.150 7.342 0.294 1.00 0.00 H +ATOM 11 H3 ASN A 1 -7.507 7.441 1.214 1.00 0.00 H +ATOM 12 HA ASN A 1 -8.341 5.383 0.416 1.00 0.00 H +ATOM 13 HB2 ASN A 1 -7.724 7.543 -1.544 1.00 0.00 H +ATOM 14 HB3 ASN A 1 -8.496 6.032 -2.110 1.00 0.00 H +ATOM 15 HD21 ASN A 1 -9.452 9.144 -1.207 1.00 0.00 H +ATOM 16 HD22 ASN A 1 -10.916 8.601 -0.396 1.00 0.00 H +ATOM 17 N LEU A 2 -5.641 5.081 -1.489 1.00 0.00 N +ATOM 18 CA LEU A 2 -4.771 4.070 -2.118 1.00 0.00 C +ATOM 19 C LEU A 2 -4.066 3.118 -1.122 1.00 0.00 C +ATOM 20 O LEU A 2 -3.610 2.044 -1.507 1.00 0.00 O +ATOM 21 CB LEU A 2 -3.736 4.788 -3.009 1.00 0.00 C +ATOM 22 CG LEU A 2 -3.207 3.896 -4.155 1.00 0.00 C +ATOM 23 CD1 LEU A 2 -4.121 3.970 -5.385 1.00 0.00 C +ATOM 24 CD2 LEU A 2 -1.783 4.286 -4.551 1.00 0.00 C +ATOM 25 H LEU A 2 -5.488 6.032 -1.793 1.00 0.00 H +ATOM 26 HA LEU A 2 -5.401 3.449 -2.761 1.00 0.00 H +ATOM 27 HB2 LEU A 2 -4.197 5.657 -3.437 1.00 0.00 H +ATOM 28 HB3 LEU A 2 -2.911 5.107 -2.379 1.00 0.00 H +ATOM 29 HG LEU A 2 -3.172 2.861 -3.826 1.00 0.00 H +ATOM 30 HD11 LEU A 2 -5.104 4.362 -5.124 1.00 0.00 H +ATOM 31 HD12 LEU A 2 -3.683 4.602 -6.157 1.00 0.00 H +ATOM 32 HD13 LEU A 2 -4.253 2.966 -5.790 1.00 0.00 H +ATOM 33 HD21 LEU A 2 -1.718 5.358 -4.736 1.00 0.00 H +ATOM 34 HD22 LEU A 2 -1.099 4.008 -3.752 1.00 0.00 H +ATOM 35 HD23 LEU A 2 -1.488 3.743 -5.449 1.00 0.00 H +ATOM 36 N TYR A 3 -4.017 3.470 0.169 1.00 0.00 N +ATOM 37 CA TYR A 3 -3.452 2.660 1.248 1.00 0.00 C +ATOM 38 C TYR A 3 -4.002 1.221 1.271 1.00 0.00 C +ATOM 39 O TYR A 3 -3.253 0.284 1.527 1.00 0.00 O +ATOM 40 CB TYR A 3 -3.690 3.373 2.590 1.00 0.00 C +ATOM 41 CG TYR A 3 -2.578 3.161 3.597 1.00 0.00 C +ATOM 42 CD1 TYR A 3 -2.514 1.966 4.339 1.00 0.00 C +ATOM 43 CD2 TYR A 3 -1.601 4.161 3.787 1.00 0.00 C +ATOM 44 CE1 TYR A 3 -1.479 1.768 5.270 1.00 0.00 C +ATOM 45 CE2 TYR A 3 -0.567 3.969 4.722 1.00 0.00 C +ATOM 46 CZ TYR A 3 -0.503 2.769 5.464 1.00 0.00 C +ATOM 47 OH TYR A 3 0.485 2.574 6.378 1.00 0.00 O +ATOM 48 H TYR A 3 -4.399 4.368 0.410 1.00 0.00 H +ATOM 49 HA TYR A 3 -2.376 2.600 1.088 1.00 0.00 H +ATOM 50 HB2 TYR A 3 -3.782 4.426 2.403 1.00 0.00 H +ATOM 51 HB3 TYR A 3 -4.635 3.037 3.021 1.00 0.00 H +ATOM 52 HD1 TYR A 3 -3.259 1.196 4.191 1.00 0.00 H +ATOM 53 HD2 TYR A 3 -1.635 5.081 3.217 1.00 0.00 H +ATOM 54 HE1 TYR A 3 -1.416 0.856 5.843 1.00 0.00 H +ATOM 55 HE2 TYR A 3 0.180 4.734 4.872 1.00 0.00 H +ATOM 56 HH TYR A 3 0.286 3.012 7.208 1.00 0.00 H +ATOM 57 N ILE A 4 -5.291 1.031 0.946 1.00 0.00 N +ATOM 58 CA ILE A 4 -5.931 -0.293 0.853 1.00 0.00 C +ATOM 59 C ILE A 4 -5.280 -1.132 -0.262 1.00 0.00 C +ATOM 60 O ILE A 4 -4.975 -2.308 -0.057 1.00 0.00 O +ATOM 61 CB ILE A 4 -7.452 -0.139 0.612 1.00 0.00 C +ATOM 62 CG1 ILE A 4 -8.150 0.694 1.716 1.00 0.00 C +ATOM 63 CG2 ILE A 4 -8.133 -1.519 0.519 1.00 0.00 C +ATOM 64 CD1 ILE A 4 -9.405 1.406 1.195 1.00 0.00 C +ATOM 65 H ILE A 4 -5.843 1.851 0.722 1.00 0.00 H +ATOM 66 HA ILE A 4 -5.780 -0.822 1.794 1.00 0.00 H +ATOM 67 HB ILE A 4 -7.585 0.372 -0.343 1.00 0.00 H +ATOM 68 HG12 ILE A 4 -8.432 0.039 2.518 1.00 0.00 H +ATOM 69 HG13 ILE A 4 -7.485 1.468 2.099 1.00 0.00 H +ATOM 70 HG21 ILE A 4 -7.763 -2.077 -0.343 1.00 0.00 H +ATOM 71 HG22 ILE A 4 -7.934 -2.097 1.423 1.00 0.00 H +ATOM 72 HG23 ILE A 4 -9.211 -1.406 0.405 1.00 0.00 H +ATOM 73 HD11 ILE A 4 -9.143 2.050 0.354 1.00 0.00 H +ATOM 74 HD12 ILE A 4 -10.152 0.681 0.875 1.00 0.00 H +ATOM 75 HD13 ILE A 4 -9.826 2.022 1.989 1.00 0.00 H +ATOM 76 N GLN A 5 -5.043 -0.527 -1.433 1.00 0.00 N +ATOM 77 CA GLN A 5 -4.319 -1.165 -2.532 1.00 0.00 C +ATOM 78 C GLN A 5 -2.856 -1.426 -2.147 1.00 0.00 C +ATOM 79 O GLN A 5 -2.382 -2.537 -2.342 1.00 0.00 O +ATOM 80 CB GLN A 5 -4.432 -0.330 -3.822 1.00 0.00 C +ATOM 81 CG GLN A 5 -5.812 -0.453 -4.498 1.00 0.00 C +ATOM 82 CD GLN A 5 -6.574 0.869 -4.544 1.00 0.00 C +ATOM 83 OE1 GLN A 5 -6.511 1.619 -5.500 1.00 0.00 O +ATOM 84 NE2 GLN A 5 -7.337 1.205 -3.520 1.00 0.00 N +ATOM 85 H GLN A 5 -5.183 0.474 -1.483 1.00 0.00 H +ATOM 86 HA GLN A 5 -4.763 -2.143 -2.723 1.00 0.00 H +ATOM 87 HB2 GLN A 5 -4.261 0.701 -3.579 1.00 0.00 H +ATOM 88 HB3 GLN A 5 -3.682 -0.687 -4.528 1.00 0.00 H +ATOM 89 HG2 GLN A 5 -5.671 -0.801 -5.503 1.00 0.00 H +ATOM 90 HG3 GLN A 5 -6.424 -1.202 -3.994 1.00 0.00 H +ATOM 91 HE21 GLN A 5 -7.488 0.604 -2.731 1.00 0.00 H +ATOM 92 HE22 GLN A 5 -7.851 2.055 -3.678 1.00 0.00 H +ATOM 93 N TRP A 6 -2.161 -0.464 -1.529 1.00 0.00 N +ATOM 94 CA TRP A 6 -0.783 -0.667 -1.057 1.00 0.00 C +ATOM 95 C TRP A 6 -0.645 -1.797 -0.021 1.00 0.00 C +ATOM 96 O TRP A 6 0.314 -2.570 -0.062 1.00 0.00 O +ATOM 97 CB TRP A 6 -0.249 0.652 -0.495 1.00 0.00 C +ATOM 98 CG TRP A 6 1.135 0.570 0.072 1.00 0.00 C +ATOM 99 CD1 TRP A 6 2.275 0.562 -0.652 1.00 0.00 C +ATOM 100 CD2 TRP A 6 1.545 0.458 1.469 1.00 0.00 C +ATOM 101 NE1 TRP A 6 3.360 0.439 0.197 1.00 0.00 N +ATOM 102 CE2 TRP A 6 2.968 0.390 1.513 1.00 0.00 C +ATOM 103 CE3 TRP A 6 0.867 0.423 2.708 1.00 0.00 C +ATOM 104 CZ2 TRP A 6 3.691 0.320 2.711 1.00 0.00 C +ATOM 105 CZ3 TRP A 6 1.580 0.342 3.919 1.00 0.00 C +ATOM 106 CH2 TRP A 6 2.987 0.304 3.924 1.00 0.00 C +ATOM 107 H TRP A 6 -2.607 0.442 -1.410 1.00 0.00 H +ATOM 108 HA TRP A 6 -0.164 -0.953 -1.911 1.00 0.00 H +ATOM 109 HB2 TRP A 6 -0.245 1.376 -1.287 1.00 0.00 H +ATOM 110 HB3 TRP A 6 -0.917 0.998 0.291 1.00 0.00 H +ATOM 111 HD1 TRP A 6 2.321 0.634 -1.731 1.00 0.00 H +ATOM 112 HE1 TRP A 6 4.338 0.431 -0.094 1.00 0.00 H +ATOM 113 HE3 TRP A 6 -0.213 0.476 2.719 1.00 0.00 H +ATOM 114 HZ2 TRP A 6 4.771 0.289 2.684 1.00 0.00 H +ATOM 115 HZ3 TRP A 6 1.047 0.329 4.859 1.00 0.00 H +ATOM 116 HH2 TRP A 6 3.522 0.272 4.860 1.00 0.00 H +ATOM 117 N LEU A 7 -1.613 -1.946 0.894 1.00 0.00 N +ATOM 118 CA LEU A 7 -1.654 -3.093 1.806 1.00 0.00 C +ATOM 119 C LEU A 7 -1.835 -4.426 1.058 1.00 0.00 C +ATOM 120 O LEU A 7 -1.246 -5.420 1.478 1.00 0.00 O +ATOM 121 CB LEU A 7 -2.752 -2.898 2.866 1.00 0.00 C +ATOM 122 CG LEU A 7 -2.416 -1.848 3.943 1.00 0.00 C +ATOM 123 CD1 LEU A 7 -3.648 -1.629 4.827 1.00 0.00 C +ATOM 124 CD2 LEU A 7 -1.246 -2.272 4.838 1.00 0.00 C +ATOM 125 H LEU A 7 -2.340 -1.237 0.952 1.00 0.00 H +ATOM 126 HA LEU A 7 -0.691 -3.164 2.309 1.00 0.00 H +ATOM 127 HB2 LEU A 7 -3.651 -2.591 2.366 1.00 0.00 H +ATOM 128 HB3 LEU A 7 -2.928 -3.852 3.365 1.00 0.00 H +ATOM 129 HG LEU A 7 -2.156 -0.903 3.474 1.00 0.00 H +ATOM 130 HD11 LEU A 7 -4.482 -1.286 4.215 1.00 0.00 H +ATOM 131 HD12 LEU A 7 -3.923 -2.562 5.321 1.00 0.00 H +ATOM 132 HD13 LEU A 7 -3.435 -0.875 5.585 1.00 0.00 H +ATOM 133 HD21 LEU A 7 -1.429 -3.262 5.255 1.00 0.00 H +ATOM 134 HD22 LEU A 7 -0.321 -2.286 4.263 1.00 0.00 H +ATOM 135 HD23 LEU A 7 -1.123 -1.560 5.652 1.00 0.00 H +ATOM 136 N LYS A 8 -2.573 -4.450 -0.065 1.00 0.00 N +ATOM 137 CA LYS A 8 -2.753 -5.637 -0.920 1.00 0.00 C +ATOM 138 C LYS A 8 -1.423 -6.194 -1.444 1.00 0.00 C +ATOM 139 O LYS A 8 -1.285 -7.410 -1.532 1.00 0.00 O +ATOM 140 CB LYS A 8 -3.680 -5.295 -2.099 1.00 0.00 C +ATOM 141 CG LYS A 8 -4.298 -6.504 -2.814 1.00 0.00 C +ATOM 142 CD LYS A 8 -5.536 -7.065 -2.098 1.00 0.00 C +ATOM 143 CE LYS A 8 -6.303 -8.006 -3.036 1.00 0.00 C +ATOM 144 NZ LYS A 8 -7.007 -7.254 -4.106 1.00 0.00 N +ATOM 145 H LYS A 8 -2.995 -3.577 -0.362 1.00 0.00 H +ATOM 146 HA LYS A 8 -3.211 -6.421 -0.316 1.00 0.00 H +ATOM 147 HB2 LYS A 8 -4.480 -4.685 -1.727 1.00 0.00 H +ATOM 148 HB3 LYS A 8 -3.094 -4.770 -2.849 1.00 0.00 H +ATOM 149 HG2 LYS A 8 -4.583 -6.205 -3.804 1.00 0.00 H +ATOM 150 HG3 LYS A 8 -3.557 -7.296 -2.934 1.00 0.00 H +ATOM 151 HD2 LYS A 8 -5.227 -7.608 -1.225 1.00 0.00 H +ATOM 152 HD3 LYS A 8 -6.190 -6.253 -1.779 1.00 0.00 H +ATOM 153 HE2 LYS A 8 -5.610 -8.689 -3.488 1.00 0.00 H +ATOM 154 HE3 LYS A 8 -7.027 -8.580 -2.453 1.00 0.00 H +ATOM 155 HZ1 LYS A 8 -7.790 -6.744 -3.720 1.00 0.00 H +ATOM 156 HZ2 LYS A 8 -6.372 -6.589 -4.533 1.00 0.00 H +ATOM 157 HZ3 LYS A 8 -7.345 -7.883 -4.822 1.00 0.00 H +ATOM 158 N ASP A 9 -0.447 -5.329 -1.753 1.00 0.00 N +ATOM 159 CA ASP A 9 0.910 -5.749 -2.133 1.00 0.00 C +ATOM 160 C ASP A 9 1.670 -6.459 -0.990 1.00 0.00 C +ATOM 161 O ASP A 9 2.622 -7.186 -1.270 1.00 0.00 O +ATOM 162 CB ASP A 9 1.736 -4.535 -2.594 1.00 0.00 C +ATOM 163 CG ASP A 9 1.220 -3.854 -3.861 1.00 0.00 C +ATOM 164 OD1 ASP A 9 1.591 -4.337 -4.953 1.00 0.00 O +ATOM 165 OD2 ASP A 9 0.541 -2.814 -3.721 1.00 0.00 O +ATOM 166 H ASP A 9 -0.655 -4.337 -1.719 1.00 0.00 H +ATOM 167 HA ASP A 9 0.844 -6.450 -2.966 1.00 0.00 H +ATOM 168 HB2 ASP A 9 1.736 -3.811 -1.802 1.00 0.00 H +ATOM 169 HB3 ASP A 9 2.749 -4.874 -2.808 1.00 0.00 H +ATOM 170 N GLY A 10 1.257 -6.258 0.274 1.00 0.00 N +ATOM 171 CA GLY A 10 1.961 -6.712 1.480 1.00 0.00 C +ATOM 172 C GLY A 10 2.411 -5.586 2.425 1.00 0.00 C +ATOM 173 O GLY A 10 3.160 -5.849 3.367 1.00 0.00 O +ATOM 174 H GLY A 10 0.383 -5.760 0.408 1.00 0.00 H +ATOM 175 HA2 GLY A 10 1.304 -7.377 2.037 1.00 0.00 H +ATOM 176 HA3 GLY A 10 2.850 -7.277 1.196 1.00 0.00 H +ATOM 177 N GLY A 11 2.008 -4.326 2.183 1.00 0.00 N +ATOM 178 CA GLY A 11 2.450 -3.174 2.973 1.00 0.00 C +ATOM 179 C GLY A 11 3.980 -2.984 2.932 1.00 0.00 C +ATOM 180 O GLY A 11 4.559 -3.040 1.839 1.00 0.00 O +ATOM 181 H GLY A 11 1.456 -4.151 1.354 1.00 0.00 H +ATOM 182 HA2 GLY A 11 1.984 -2.274 2.571 1.00 0.00 H +ATOM 183 HA3 GLY A 11 2.101 -3.314 3.994 1.00 0.00 H +ATOM 184 N PRO A 12 4.665 -2.766 4.078 1.00 0.00 N +ATOM 185 CA PRO A 12 6.116 -2.537 4.125 1.00 0.00 C +ATOM 186 C PRO A 12 6.959 -3.639 3.466 1.00 0.00 C +ATOM 187 O PRO A 12 8.019 -3.357 2.912 1.00 0.00 O +ATOM 188 CB PRO A 12 6.477 -2.417 5.612 1.00 0.00 C +ATOM 189 CG PRO A 12 5.164 -2.042 6.293 1.00 0.00 C +ATOM 190 CD PRO A 12 4.110 -2.726 5.425 1.00 0.00 C +ATOM 191 HA PRO A 12 6.331 -1.590 3.630 1.00 0.00 H +ATOM 192 HB2 PRO A 12 6.847 -3.351 5.989 1.00 0.00 H +ATOM 193 HB3 PRO A 12 7.243 -1.658 5.777 1.00 0.00 H +ATOM 194 HG2 PRO A 12 5.133 -2.413 7.299 1.00 0.00 H +ATOM 195 HG3 PRO A 12 5.028 -0.961 6.254 1.00 0.00 H +ATOM 196 HD2 PRO A 12 3.922 -3.721 5.781 1.00 0.00 H +ATOM 197 HD3 PRO A 12 3.178 -2.162 5.468 1.00 0.00 H +ATOM 198 N SER A 13 6.486 -4.890 3.490 1.00 0.00 N +ATOM 199 CA SER A 13 7.202 -6.073 2.992 1.00 0.00 C +ATOM 200 C SER A 13 7.143 -6.241 1.464 1.00 0.00 C +ATOM 201 O SER A 13 7.476 -7.309 0.957 1.00 0.00 O +ATOM 202 CB SER A 13 6.669 -7.320 3.710 1.00 0.00 C +ATOM 203 OG SER A 13 6.903 -7.208 5.102 1.00 0.00 O +ATOM 204 H SER A 13 5.586 -5.054 3.924 1.00 0.00 H +ATOM 205 HA SER A 13 8.256 -5.969 3.247 1.00 0.00 H +ATOM 206 HB2 SER A 13 5.615 -7.410 3.532 1.00 0.00 H +ATOM 207 HB3 SER A 13 7.175 -8.210 3.337 1.00 0.00 H +ATOM 208 HG SER A 13 7.852 -7.195 5.257 1.00 0.00 H +ATOM 209 N SER A 14 6.739 -5.198 0.725 1.00 0.00 N +ATOM 210 CA SER A 14 6.405 -5.266 -0.708 1.00 0.00 C +ATOM 211 C SER A 14 7.371 -4.503 -1.623 1.00 0.00 C +ATOM 212 O SER A 14 7.116 -4.406 -2.826 1.00 0.00 O +ATOM 213 CB SER A 14 4.983 -4.759 -0.973 1.00 0.00 C +ATOM 214 OG SER A 14 4.134 -4.862 0.138 1.00 0.00 O +ATOM 215 H SER A 14 6.478 -4.368 1.241 1.00 0.00 H +ATOM 216 HA SER A 14 6.427 -6.311 -1.020 1.00 0.00 H +ATOM 217 HB2 SER A 14 5.039 -3.727 -1.263 1.00 0.00 H +ATOM 218 HB3 SER A 14 4.571 -5.340 -1.796 1.00 0.00 H +ATOM 219 HG SER A 14 4.313 -4.115 0.764 1.00 0.00 H +ATOM 220 N GLY A 15 8.442 -3.922 -1.059 1.00 0.00 N +ATOM 221 CA GLY A 15 9.474 -3.182 -1.792 1.00 0.00 C +ATOM 222 C GLY A 15 9.029 -1.817 -2.334 1.00 0.00 C +ATOM 223 O GLY A 15 9.636 -1.322 -3.282 1.00 0.00 O +ATOM 224 H GLY A 15 8.567 -4.078 -0.067 1.00 0.00 H +ATOM 225 HA2 GLY A 15 10.326 -3.018 -1.132 1.00 0.00 H +ATOM 226 HA3 GLY A 15 9.816 -3.786 -2.634 1.00 0.00 H +ATOM 227 N ARG A 16 7.971 -1.217 -1.769 1.00 0.00 N +ATOM 228 CA ARG A 16 7.354 0.032 -2.244 1.00 0.00 C +ATOM 229 C ARG A 16 6.844 0.894 -1.071 1.00 0.00 C +ATOM 230 O ARG A 16 6.204 0.347 -0.168 1.00 0.00 O +ATOM 231 CB ARG A 16 6.234 -0.313 -3.248 1.00 0.00 C +ATOM 232 CG ARG A 16 5.064 -1.085 -2.611 1.00 0.00 C +ATOM 233 CD ARG A 16 4.139 -1.794 -3.605 1.00 0.00 C +ATOM 234 NE ARG A 16 4.801 -2.956 -4.225 1.00 0.00 N +ATOM 235 CZ ARG A 16 5.278 -3.071 -5.455 1.00 0.00 C +ATOM 236 NH1 ARG A 16 5.210 -2.093 -6.329 1.00 0.00 N +ATOM 237 NH2 ARG A 16 5.864 -4.186 -5.822 1.00 0.00 N +ATOM 238 H ARG A 16 7.549 -1.675 -0.973 1.00 0.00 H +ATOM 239 HA ARG A 16 8.120 0.589 -2.783 1.00 0.00 H +ATOM 240 HB2 ARG A 16 5.854 0.601 -3.662 1.00 0.00 H +ATOM 241 HB3 ARG A 16 6.672 -0.909 -4.049 1.00 0.00 H +ATOM 242 HG2 ARG A 16 5.474 -1.825 -1.951 1.00 0.00 H +ATOM 243 HG3 ARG A 16 4.465 -0.382 -2.044 1.00 0.00 H +ATOM 244 HD2 ARG A 16 3.261 -2.128 -3.087 1.00 0.00 H +ATOM 245 HD3 ARG A 16 3.785 -1.084 -4.353 1.00 0.00 H +ATOM 246 HE ARG A 16 4.929 -3.770 -3.646 1.00 0.00 H +ATOM 247 HH11 ARG A 16 4.742 -1.252 -6.044 1.00 0.00 H +ATOM 248 HH12 ARG A 16 5.588 -2.189 -7.251 1.00 0.00 H +ATOM 249 HH21 ARG A 16 5.998 -4.910 -5.134 1.00 0.00 H +ATOM 250 HH22 ARG A 16 6.200 -4.304 -6.756 1.00 0.00 H +ATOM 251 N PRO A 17 7.087 2.220 -1.065 1.00 0.00 N +ATOM 252 CA PRO A 17 6.655 3.106 0.019 1.00 0.00 C +ATOM 253 C PRO A 17 5.123 3.267 0.052 1.00 0.00 C +ATOM 254 O PRO A 17 4.470 3.043 -0.971 1.00 0.00 O +ATOM 255 CB PRO A 17 7.355 4.442 -0.256 1.00 0.00 C +ATOM 256 CG PRO A 17 7.509 4.455 -1.776 1.00 0.00 C +ATOM 257 CD PRO A 17 7.758 2.986 -2.109 1.00 0.00 C +ATOM 258 HA PRO A 17 6.997 2.705 0.974 1.00 0.00 H +ATOM 259 HB2 PRO A 17 6.753 5.266 0.076 1.00 0.00 H +ATOM 260 HB3 PRO A 17 8.342 4.438 0.209 1.00 0.00 H +ATOM 261 HG2 PRO A 17 6.616 4.812 -2.251 1.00 0.00 H +ATOM 262 HG3 PRO A 17 8.338 5.087 -2.096 1.00 0.00 H +ATOM 263 HD2 PRO A 17 7.347 2.746 -3.071 1.00 0.00 H +ATOM 264 HD3 PRO A 17 8.828 2.777 -2.079 1.00 0.00 H +ATOM 265 N PRO A 18 4.537 3.673 1.196 1.00 0.00 N +ATOM 266 CA PRO A 18 3.102 3.903 1.304 1.00 0.00 C +ATOM 267 C PRO A 18 2.667 5.149 0.509 1.00 0.00 C +ATOM 268 O PRO A 18 3.454 6.085 0.353 1.00 0.00 O +ATOM 269 CB PRO A 18 2.819 4.069 2.799 1.00 0.00 C +ATOM 270 CG PRO A 18 4.134 4.621 3.345 1.00 0.00 C +ATOM 271 CD PRO A 18 5.189 3.944 2.471 1.00 0.00 C +ATOM 272 HA PRO A 18 2.575 3.028 0.934 1.00 0.00 H +ATOM 273 HB2 PRO A 18 2.014 4.759 2.964 1.00 0.00 H +ATOM 274 HB3 PRO A 18 2.618 3.095 3.244 1.00 0.00 H +ATOM 275 HG2 PRO A 18 4.176 5.688 3.241 1.00 0.00 H +ATOM 276 HG3 PRO A 18 4.266 4.380 4.399 1.00 0.00 H +ATOM 277 HD2 PRO A 18 6.030 4.595 2.329 1.00 0.00 H +ATOM 278 HD3 PRO A 18 5.495 3.002 2.927 1.00 0.00 H +ATOM 279 N PRO A 19 1.416 5.184 0.020 1.00 0.00 N +ATOM 280 CA PRO A 19 0.856 6.338 -0.670 1.00 0.00 C +ATOM 281 C PRO A 19 0.274 7.370 0.308 1.00 0.00 C +ATOM 282 O PRO A 19 -0.285 7.006 1.346 1.00 0.00 O +ATOM 283 CB PRO A 19 -0.241 5.744 -1.552 1.00 0.00 C +ATOM 284 CG PRO A 19 -0.772 4.583 -0.706 1.00 0.00 C +ATOM 285 CD PRO A 19 0.476 4.073 0.003 1.00 0.00 C +ATOM 286 HA PRO A 19 1.613 6.813 -1.296 1.00 0.00 H +ATOM 287 HB2 PRO A 19 -1.012 6.464 -1.746 1.00 0.00 H +ATOM 288 HB3 PRO A 19 0.214 5.358 -2.465 1.00 0.00 H +ATOM 289 HG2 PRO A 19 -1.504 4.924 0.000 1.00 0.00 H +ATOM 290 HG3 PRO A 19 -1.221 3.803 -1.320 1.00 0.00 H +ATOM 291 HD2 PRO A 19 0.238 3.772 1.005 1.00 0.00 H +ATOM 292 HD3 PRO A 19 0.911 3.257 -0.574 1.00 0.00 H +ATOM 293 N SER A 20 0.317 8.642 -0.115 1.00 0.00 N +ATOM 294 CA SER A 20 -0.113 9.835 0.640 1.00 0.00 C +ATOM 295 C SER A 20 0.639 10.031 1.968 1.00 0.00 C +ATOM 296 O SER A 20 0.066 10.720 2.840 1.00 0.00 O +ATOM 297 CB SER A 20 -1.636 9.826 0.849 1.00 0.00 C +ATOM 298 OG SER A 20 -2.305 9.711 -0.395 1.00 0.00 O +ATOM 299 OXT SER A 20 1.796 9.565 2.056 1.00 0.00 O +ATOM 300 H SER A 20 0.838 8.806 -0.960 1.00 0.00 H +ATOM 301 HA SER A 20 0.140 10.716 0.055 1.00 0.00 H +ATOM 302 HB2 SER A 20 -1.902 8.994 1.472 1.00 0.00 H +ATOM 303 HB3 SER A 20 -1.934 10.755 1.339 1.00 0.00 H +ATOM 304 HG SER A 20 -1.851 10.287 -1.014 1.00 0.00 H +TER 305 SER A 20 +ENDMDL +MODEL 33 +ATOM 1 N ASN A 1 -9.696 2.810 -1.214 1.00 0.00 N +ATOM 2 CA ASN A 1 -8.702 3.862 -0.904 1.00 0.00 C +ATOM 3 C ASN A 1 -7.320 3.416 -1.392 1.00 0.00 C +ATOM 4 O ASN A 1 -7.058 2.216 -1.401 1.00 0.00 O +ATOM 5 CB ASN A 1 -8.682 4.180 0.603 1.00 0.00 C +ATOM 6 CG ASN A 1 -7.901 5.460 0.875 1.00 0.00 C +ATOM 7 OD1 ASN A 1 -6.683 5.431 0.961 1.00 0.00 O +ATOM 8 ND2 ASN A 1 -8.563 6.601 0.949 1.00 0.00 N +ATOM 9 H1 ASN A 1 -9.798 2.712 -2.215 1.00 0.00 H +ATOM 10 H2 ASN A 1 -9.371 1.928 -0.840 1.00 0.00 H +ATOM 11 H3 ASN A 1 -10.593 3.041 -0.806 1.00 0.00 H +ATOM 12 HA ASN A 1 -8.978 4.770 -1.442 1.00 0.00 H +ATOM 13 HB2 ASN A 1 -9.690 4.302 0.950 1.00 0.00 H +ATOM 14 HB3 ASN A 1 -8.208 3.365 1.150 1.00 0.00 H +ATOM 15 HD21 ASN A 1 -9.568 6.669 0.919 1.00 0.00 H +ATOM 16 HD22 ASN A 1 -7.997 7.418 1.129 1.00 0.00 H +ATOM 17 N LEU A 2 -6.450 4.362 -1.773 1.00 0.00 N +ATOM 18 CA LEU A 2 -5.070 4.110 -2.206 1.00 0.00 C +ATOM 19 C LEU A 2 -4.261 3.274 -1.198 1.00 0.00 C +ATOM 20 O LEU A 2 -3.535 2.363 -1.600 1.00 0.00 O +ATOM 21 CB LEU A 2 -4.351 5.440 -2.547 1.00 0.00 C +ATOM 22 CG LEU A 2 -4.514 6.597 -1.528 1.00 0.00 C +ATOM 23 CD1 LEU A 2 -3.229 7.411 -1.372 1.00 0.00 C +ATOM 24 CD2 LEU A 2 -5.623 7.572 -1.951 1.00 0.00 C +ATOM 25 H LEU A 2 -6.706 5.331 -1.654 1.00 0.00 H +ATOM 26 HA LEU A 2 -5.109 3.519 -3.122 1.00 0.00 H +ATOM 27 HB2 LEU A 2 -3.303 5.230 -2.636 1.00 0.00 H +ATOM 28 HB3 LEU A 2 -4.699 5.782 -3.523 1.00 0.00 H +ATOM 29 HG LEU A 2 -4.759 6.191 -0.552 1.00 0.00 H +ATOM 30 HD11 LEU A 2 -2.500 6.830 -0.816 1.00 0.00 H +ATOM 31 HD12 LEU A 2 -2.824 7.681 -2.347 1.00 0.00 H +ATOM 32 HD13 LEU A 2 -3.422 8.320 -0.800 1.00 0.00 H +ATOM 33 HD21 LEU A 2 -5.295 8.148 -2.819 1.00 0.00 H +ATOM 34 HD22 LEU A 2 -6.539 7.048 -2.209 1.00 0.00 H +ATOM 35 HD23 LEU A 2 -5.828 8.260 -1.132 1.00 0.00 H +ATOM 36 N TYR A 3 -4.415 3.532 0.107 1.00 0.00 N +ATOM 37 CA TYR A 3 -3.672 2.802 1.139 1.00 0.00 C +ATOM 38 C TYR A 3 -4.041 1.307 1.188 1.00 0.00 C +ATOM 39 O TYR A 3 -3.171 0.461 1.386 1.00 0.00 O +ATOM 40 CB TYR A 3 -3.879 3.480 2.497 1.00 0.00 C +ATOM 41 CG TYR A 3 -2.767 3.185 3.485 1.00 0.00 C +ATOM 42 CD1 TYR A 3 -2.814 2.034 4.294 1.00 0.00 C +ATOM 43 CD2 TYR A 3 -1.673 4.066 3.584 1.00 0.00 C +ATOM 44 CE1 TYR A 3 -1.769 1.770 5.202 1.00 0.00 C +ATOM 45 CE2 TYR A 3 -0.633 3.814 4.497 1.00 0.00 C +ATOM 46 CZ TYR A 3 -0.678 2.659 5.305 1.00 0.00 C +ATOM 47 OH TYR A 3 0.328 2.397 6.181 1.00 0.00 O +ATOM 48 H TYR A 3 -5.030 4.292 0.388 1.00 0.00 H +ATOM 49 HA TYR A 3 -2.611 2.866 0.893 1.00 0.00 H +ATOM 50 HB2 TYR A 3 -3.928 4.541 2.345 1.00 0.00 H +ATOM 51 HB3 TYR A 3 -4.839 3.176 2.920 1.00 0.00 H +ATOM 52 HD1 TYR A 3 -3.646 1.348 4.217 1.00 0.00 H +ATOM 53 HD2 TYR A 3 -1.623 4.947 2.966 1.00 0.00 H +ATOM 54 HE1 TYR A 3 -1.786 0.898 5.835 1.00 0.00 H +ATOM 55 HE2 TYR A 3 0.183 4.517 4.582 1.00 0.00 H +ATOM 56 HH TYR A 3 1.000 3.080 6.149 1.00 0.00 H +ATOM 57 N ILE A 4 -5.317 0.964 0.945 1.00 0.00 N +ATOM 58 CA ILE A 4 -5.797 -0.427 0.890 1.00 0.00 C +ATOM 59 C ILE A 4 -5.106 -1.182 -0.260 1.00 0.00 C +ATOM 60 O ILE A 4 -4.649 -2.312 -0.079 1.00 0.00 O +ATOM 61 CB ILE A 4 -7.343 -0.481 0.776 1.00 0.00 C +ATOM 62 CG1 ILE A 4 -8.026 0.176 2.003 1.00 0.00 C +ATOM 63 CG2 ILE A 4 -7.809 -1.944 0.634 1.00 0.00 C +ATOM 64 CD1 ILE A 4 -9.518 0.486 1.806 1.00 0.00 C +ATOM 65 H ILE A 4 -5.958 1.710 0.720 1.00 0.00 H +ATOM 66 HA ILE A 4 -5.510 -0.925 1.817 1.00 0.00 H +ATOM 67 HB ILE A 4 -7.647 0.059 -0.122 1.00 0.00 H +ATOM 68 HG12 ILE A 4 -7.929 -0.490 2.838 1.00 0.00 H +ATOM 69 HG13 ILE A 4 -7.538 1.122 2.236 1.00 0.00 H +ATOM 70 HG21 ILE A 4 -7.478 -2.358 -0.319 1.00 0.00 H +ATOM 71 HG22 ILE A 4 -7.398 -2.547 1.445 1.00 0.00 H +ATOM 72 HG23 ILE A 4 -8.894 -2.016 0.659 1.00 0.00 H +ATOM 73 HD11 ILE A 4 -9.642 1.219 1.013 1.00 0.00 H +ATOM 74 HD12 ILE A 4 -10.080 -0.412 1.556 1.00 0.00 H +ATOM 75 HD13 ILE A 4 -9.924 0.899 2.728 1.00 0.00 H +ATOM 76 N GLN A 5 -4.987 -0.542 -1.429 1.00 0.00 N +ATOM 77 CA GLN A 5 -4.265 -1.071 -2.589 1.00 0.00 C +ATOM 78 C GLN A 5 -2.780 -1.329 -2.278 1.00 0.00 C +ATOM 79 O GLN A 5 -2.258 -2.372 -2.663 1.00 0.00 O +ATOM 80 CB GLN A 5 -4.444 -0.110 -3.783 1.00 0.00 C +ATOM 81 CG GLN A 5 -5.274 -0.705 -4.937 1.00 0.00 C +ATOM 82 CD GLN A 5 -4.406 -1.168 -6.106 1.00 0.00 C +ATOM 83 OE1 GLN A 5 -3.743 -0.382 -6.761 1.00 0.00 O +ATOM 84 NE2 GLN A 5 -4.396 -2.444 -6.437 1.00 0.00 N +ATOM 85 H GLN A 5 -5.362 0.397 -1.487 1.00 0.00 H +ATOM 86 HA GLN A 5 -4.696 -2.043 -2.836 1.00 0.00 H +ATOM 87 HB2 GLN A 5 -4.937 0.777 -3.433 1.00 0.00 H +ATOM 88 HB3 GLN A 5 -3.468 0.199 -4.159 1.00 0.00 H +ATOM 89 HG2 GLN A 5 -5.827 -1.546 -4.565 1.00 0.00 H +ATOM 90 HG3 GLN A 5 -5.939 0.070 -5.317 1.00 0.00 H +ATOM 91 HE21 GLN A 5 -4.933 -3.137 -5.951 1.00 0.00 H +ATOM 92 HE22 GLN A 5 -3.802 -2.637 -7.226 1.00 0.00 H +ATOM 93 N TRP A 6 -2.110 -0.425 -1.550 1.00 0.00 N +ATOM 94 CA TRP A 6 -0.735 -0.642 -1.083 1.00 0.00 C +ATOM 95 C TRP A 6 -0.618 -1.798 -0.074 1.00 0.00 C +ATOM 96 O TRP A 6 0.284 -2.632 -0.196 1.00 0.00 O +ATOM 97 CB TRP A 6 -0.178 0.660 -0.502 1.00 0.00 C +ATOM 98 CG TRP A 6 1.220 0.560 0.030 1.00 0.00 C +ATOM 99 CD1 TRP A 6 2.344 0.499 -0.720 1.00 0.00 C +ATOM 100 CD2 TRP A 6 1.660 0.470 1.420 1.00 0.00 C +ATOM 101 NE1 TRP A 6 3.446 0.394 0.108 1.00 0.00 N +ATOM 102 CE2 TRP A 6 3.084 0.389 1.433 1.00 0.00 C +ATOM 103 CE3 TRP A 6 1.008 0.446 2.674 1.00 0.00 C +ATOM 104 CZ2 TRP A 6 3.829 0.330 2.618 1.00 0.00 C +ATOM 105 CZ3 TRP A 6 1.746 0.354 3.871 1.00 0.00 C +ATOM 106 CH2 TRP A 6 3.152 0.312 3.847 1.00 0.00 C +ATOM 107 H TRP A 6 -2.590 0.437 -1.304 1.00 0.00 H +ATOM 108 HA TRP A 6 -0.120 -0.916 -1.942 1.00 0.00 H +ATOM 109 HB2 TRP A 6 -0.189 1.403 -1.276 1.00 0.00 H +ATOM 110 HB3 TRP A 6 -0.826 1.000 0.307 1.00 0.00 H +ATOM 111 HD1 TRP A 6 2.370 0.522 -1.801 1.00 0.00 H +ATOM 112 HE1 TRP A 6 4.422 0.342 -0.195 1.00 0.00 H +ATOM 113 HE3 TRP A 6 -0.071 0.498 2.709 1.00 0.00 H +ATOM 114 HZ2 TRP A 6 4.908 0.276 2.569 1.00 0.00 H +ATOM 115 HZ3 TRP A 6 1.228 0.327 4.819 1.00 0.00 H +ATOM 116 HH2 TRP A 6 3.709 0.259 4.771 1.00 0.00 H +ATOM 117 N LEU A 7 -1.541 -1.889 0.896 1.00 0.00 N +ATOM 118 CA LEU A 7 -1.582 -3.011 1.838 1.00 0.00 C +ATOM 119 C LEU A 7 -1.783 -4.360 1.136 1.00 0.00 C +ATOM 120 O LEU A 7 -1.117 -5.321 1.517 1.00 0.00 O +ATOM 121 CB LEU A 7 -2.666 -2.803 2.908 1.00 0.00 C +ATOM 122 CG LEU A 7 -2.354 -1.713 3.950 1.00 0.00 C +ATOM 123 CD1 LEU A 7 -3.542 -1.608 4.912 1.00 0.00 C +ATOM 124 CD2 LEU A 7 -1.090 -2.018 4.764 1.00 0.00 C +ATOM 125 H LEU A 7 -2.233 -1.146 0.975 1.00 0.00 H +ATOM 126 HA LEU A 7 -0.612 -3.079 2.329 1.00 0.00 H +ATOM 127 HB2 LEU A 7 -3.578 -2.536 2.410 1.00 0.00 H +ATOM 128 HB3 LEU A 7 -2.803 -3.746 3.442 1.00 0.00 H +ATOM 129 HG LEU A 7 -2.222 -0.755 3.451 1.00 0.00 H +ATOM 130 HD11 LEU A 7 -4.453 -1.399 4.353 1.00 0.00 H +ATOM 131 HD12 LEU A 7 -3.663 -2.544 5.458 1.00 0.00 H +ATOM 132 HD13 LEU A 7 -3.376 -0.804 5.626 1.00 0.00 H +ATOM 133 HD21 LEU A 7 -1.148 -3.021 5.187 1.00 0.00 H +ATOM 134 HD22 LEU A 7 -0.210 -1.944 4.128 1.00 0.00 H +ATOM 135 HD23 LEU A 7 -0.982 -1.297 5.571 1.00 0.00 H +ATOM 136 N LYS A 8 -2.633 -4.432 0.094 1.00 0.00 N +ATOM 137 CA LYS A 8 -2.884 -5.655 -0.692 1.00 0.00 C +ATOM 138 C LYS A 8 -1.596 -6.330 -1.179 1.00 0.00 C +ATOM 139 O LYS A 8 -1.525 -7.556 -1.201 1.00 0.00 O +ATOM 140 CB LYS A 8 -3.808 -5.329 -1.882 1.00 0.00 C +ATOM 141 CG LYS A 8 -4.241 -6.587 -2.655 1.00 0.00 C +ATOM 142 CD LYS A 8 -5.060 -6.237 -3.903 1.00 0.00 C +ATOM 143 CE LYS A 8 -5.306 -7.504 -4.738 1.00 0.00 C +ATOM 144 NZ LYS A 8 -4.559 -7.485 -6.019 1.00 0.00 N +ATOM 145 H LYS A 8 -3.173 -3.595 -0.117 1.00 0.00 H +ATOM 146 HA LYS A 8 -3.386 -6.377 -0.047 1.00 0.00 H +ATOM 147 HB2 LYS A 8 -4.685 -4.834 -1.511 1.00 0.00 H +ATOM 148 HB3 LYS A 8 -3.277 -4.670 -2.567 1.00 0.00 H +ATOM 149 HG2 LYS A 8 -3.365 -7.128 -2.956 1.00 0.00 H +ATOM 150 HG3 LYS A 8 -4.835 -7.226 -2.000 1.00 0.00 H +ATOM 151 HD2 LYS A 8 -6.002 -5.819 -3.605 1.00 0.00 H +ATOM 152 HD3 LYS A 8 -4.524 -5.490 -4.491 1.00 0.00 H +ATOM 153 HE2 LYS A 8 -4.994 -8.359 -4.169 1.00 0.00 H +ATOM 154 HE3 LYS A 8 -6.379 -7.594 -4.932 1.00 0.00 H +ATOM 155 HZ1 LYS A 8 -4.868 -6.712 -6.594 1.00 0.00 H +ATOM 156 HZ2 LYS A 8 -3.566 -7.387 -5.848 1.00 0.00 H +ATOM 157 HZ3 LYS A 8 -4.715 -8.344 -6.529 1.00 0.00 H +ATOM 158 N ASP A 9 -0.590 -5.540 -1.563 1.00 0.00 N +ATOM 159 CA ASP A 9 0.696 -6.034 -2.059 1.00 0.00 C +ATOM 160 C ASP A 9 1.604 -6.602 -0.943 1.00 0.00 C +ATOM 161 O ASP A 9 2.534 -7.350 -1.236 1.00 0.00 O +ATOM 162 CB ASP A 9 1.377 -4.885 -2.828 1.00 0.00 C +ATOM 163 CG ASP A 9 2.180 -5.390 -4.029 1.00 0.00 C +ATOM 164 OD1 ASP A 9 1.517 -5.724 -5.041 1.00 0.00 O +ATOM 165 OD2 ASP A 9 3.423 -5.398 -3.944 1.00 0.00 O +ATOM 166 H ASP A 9 -0.734 -4.540 -1.523 1.00 0.00 H +ATOM 167 HA ASP A 9 0.502 -6.844 -2.765 1.00 0.00 H +ATOM 168 HB2 ASP A 9 0.622 -4.207 -3.177 1.00 0.00 H +ATOM 169 HB3 ASP A 9 2.011 -4.308 -2.158 1.00 0.00 H +ATOM 170 N GLY A 10 1.315 -6.291 0.335 1.00 0.00 N +ATOM 171 CA GLY A 10 2.125 -6.667 1.501 1.00 0.00 C +ATOM 172 C GLY A 10 2.634 -5.488 2.350 1.00 0.00 C +ATOM 173 O GLY A 10 3.490 -5.686 3.216 1.00 0.00 O +ATOM 174 H GLY A 10 0.438 -5.808 0.503 1.00 0.00 H +ATOM 175 HA2 GLY A 10 1.519 -7.303 2.147 1.00 0.00 H +ATOM 176 HA3 GLY A 10 2.993 -7.245 1.182 1.00 0.00 H +ATOM 177 N GLY A 11 2.132 -4.266 2.113 1.00 0.00 N +ATOM 178 CA GLY A 11 2.535 -3.041 2.809 1.00 0.00 C +ATOM 179 C GLY A 11 4.061 -2.833 2.842 1.00 0.00 C +ATOM 180 O GLY A 11 4.676 -2.729 1.777 1.00 0.00 O +ATOM 181 H GLY A 11 1.459 -4.179 1.364 1.00 0.00 H +ATOM 182 HA2 GLY A 11 2.091 -2.192 2.292 1.00 0.00 H +ATOM 183 HA3 GLY A 11 2.124 -3.070 3.815 1.00 0.00 H +ATOM 184 N PRO A 12 4.716 -2.764 4.022 1.00 0.00 N +ATOM 185 CA PRO A 12 6.173 -2.628 4.110 1.00 0.00 C +ATOM 186 C PRO A 12 6.953 -3.752 3.413 1.00 0.00 C +ATOM 187 O PRO A 12 8.085 -3.532 2.985 1.00 0.00 O +ATOM 188 CB PRO A 12 6.510 -2.614 5.607 1.00 0.00 C +ATOM 189 CG PRO A 12 5.200 -2.211 6.279 1.00 0.00 C +ATOM 190 CD PRO A 12 4.136 -2.801 5.356 1.00 0.00 C +ATOM 191 HA PRO A 12 6.463 -1.674 3.669 1.00 0.00 H +ATOM 192 HB2 PRO A 12 6.824 -3.586 5.936 1.00 0.00 H +ATOM 193 HB3 PRO A 12 7.309 -1.906 5.829 1.00 0.00 H +ATOM 194 HG2 PRO A 12 5.129 -2.629 7.265 1.00 0.00 H +ATOM 195 HG3 PRO A 12 5.116 -1.124 6.289 1.00 0.00 H +ATOM 196 HD2 PRO A 12 3.912 -3.811 5.640 1.00 0.00 H +ATOM 197 HD3 PRO A 12 3.224 -2.208 5.422 1.00 0.00 H +ATOM 198 N SER A 13 6.364 -4.949 3.290 1.00 0.00 N +ATOM 199 CA SER A 13 7.032 -6.120 2.719 1.00 0.00 C +ATOM 200 C SER A 13 7.005 -6.154 1.183 1.00 0.00 C +ATOM 201 O SER A 13 7.560 -7.084 0.599 1.00 0.00 O +ATOM 202 CB SER A 13 6.426 -7.399 3.310 1.00 0.00 C +ATOM 203 OG SER A 13 7.402 -8.420 3.301 1.00 0.00 O +ATOM 204 H SER A 13 5.392 -5.053 3.575 1.00 0.00 H +ATOM 205 HA SER A 13 8.080 -6.085 3.021 1.00 0.00 H +ATOM 206 HB2 SER A 13 6.109 -7.214 4.318 1.00 0.00 H +ATOM 207 HB3 SER A 13 5.557 -7.710 2.730 1.00 0.00 H +ATOM 208 HG SER A 13 7.730 -8.506 2.397 1.00 0.00 H +ATOM 209 N SER A 14 6.381 -5.157 0.538 1.00 0.00 N +ATOM 210 CA SER A 14 6.165 -5.055 -0.915 1.00 0.00 C +ATOM 211 C SER A 14 7.342 -4.457 -1.697 1.00 0.00 C +ATOM 212 O SER A 14 7.309 -4.428 -2.924 1.00 0.00 O +ATOM 213 CB SER A 14 4.964 -4.138 -1.174 1.00 0.00 C +ATOM 214 OG SER A 14 3.864 -4.511 -0.377 1.00 0.00 O +ATOM 215 H SER A 14 5.881 -4.475 1.098 1.00 0.00 H +ATOM 216 HA SER A 14 5.937 -6.042 -1.321 1.00 0.00 H +ATOM 217 HB2 SER A 14 5.238 -3.127 -0.943 1.00 0.00 H +ATOM 218 HB3 SER A 14 4.688 -4.185 -2.225 1.00 0.00 H +ATOM 219 HG SER A 14 3.188 -3.835 -0.468 1.00 0.00 H +ATOM 220 N GLY A 15 8.357 -3.909 -1.017 1.00 0.00 N +ATOM 221 CA GLY A 15 9.474 -3.213 -1.669 1.00 0.00 C +ATOM 222 C GLY A 15 9.156 -1.791 -2.160 1.00 0.00 C +ATOM 223 O GLY A 15 9.942 -1.231 -2.920 1.00 0.00 O +ATOM 224 H GLY A 15 8.341 -3.994 -0.010 1.00 0.00 H +ATOM 225 HA2 GLY A 15 10.311 -3.152 -0.976 1.00 0.00 H +ATOM 226 HA3 GLY A 15 9.800 -3.797 -2.532 1.00 0.00 H +ATOM 227 N ARG A 16 8.024 -1.197 -1.741 1.00 0.00 N +ATOM 228 CA ARG A 16 7.568 0.140 -2.156 1.00 0.00 C +ATOM 229 C ARG A 16 7.012 0.930 -0.956 1.00 0.00 C +ATOM 230 O ARG A 16 6.231 0.354 -0.196 1.00 0.00 O +ATOM 231 CB ARG A 16 6.504 -0.029 -3.256 1.00 0.00 C +ATOM 232 CG ARG A 16 6.136 1.305 -3.920 1.00 0.00 C +ATOM 233 CD ARG A 16 5.111 1.119 -5.043 1.00 0.00 C +ATOM 234 NE ARG A 16 4.902 2.373 -5.790 1.00 0.00 N +ATOM 235 CZ ARG A 16 4.118 3.394 -5.467 1.00 0.00 C +ATOM 236 NH1 ARG A 16 3.401 3.409 -4.368 1.00 0.00 N +ATOM 237 NH2 ARG A 16 4.046 4.440 -6.259 1.00 0.00 N +ATOM 238 H ARG A 16 7.441 -1.716 -1.100 1.00 0.00 H +ATOM 239 HA ARG A 16 8.423 0.671 -2.576 1.00 0.00 H +ATOM 240 HB2 ARG A 16 6.886 -0.694 -4.006 1.00 0.00 H +ATOM 241 HB3 ARG A 16 5.608 -0.485 -2.831 1.00 0.00 H +ATOM 242 HG2 ARG A 16 5.722 1.960 -3.177 1.00 0.00 H +ATOM 243 HG3 ARG A 16 7.039 1.747 -4.344 1.00 0.00 H +ATOM 244 HD2 ARG A 16 5.466 0.364 -5.719 1.00 0.00 H +ATOM 245 HD3 ARG A 16 4.167 0.759 -4.628 1.00 0.00 H +ATOM 246 HE ARG A 16 5.422 2.462 -6.647 1.00 0.00 H +ATOM 247 HH11 ARG A 16 3.504 2.647 -3.718 1.00 0.00 H +ATOM 248 HH12 ARG A 16 2.814 4.189 -4.136 1.00 0.00 H +ATOM 249 HH21 ARG A 16 4.589 4.478 -7.103 1.00 0.00 H +ATOM 250 HH22 ARG A 16 3.453 5.213 -6.014 1.00 0.00 H +ATOM 251 N PRO A 17 7.341 2.229 -0.790 1.00 0.00 N +ATOM 252 CA PRO A 17 6.828 3.050 0.313 1.00 0.00 C +ATOM 253 C PRO A 17 5.302 3.268 0.240 1.00 0.00 C +ATOM 254 O PRO A 17 4.711 3.118 -0.837 1.00 0.00 O +ATOM 255 CB PRO A 17 7.588 4.382 0.217 1.00 0.00 C +ATOM 256 CG PRO A 17 7.955 4.479 -1.259 1.00 0.00 C +ATOM 257 CD PRO A 17 8.236 3.024 -1.624 1.00 0.00 C +ATOM 258 HA PRO A 17 7.073 2.564 1.257 1.00 0.00 H +ATOM 259 HB2 PRO A 17 6.962 5.202 0.511 1.00 0.00 H +ATOM 260 HB3 PRO A 17 8.498 4.326 0.815 1.00 0.00 H +ATOM 261 HG2 PRO A 17 7.141 4.874 -1.836 1.00 0.00 H +ATOM 262 HG3 PRO A 17 8.825 5.116 -1.425 1.00 0.00 H +ATOM 263 HD2 PRO A 17 8.031 2.852 -2.663 1.00 0.00 H +ATOM 264 HD3 PRO A 17 9.270 2.778 -1.381 1.00 0.00 H +ATOM 265 N PRO A 18 4.658 3.643 1.366 1.00 0.00 N +ATOM 266 CA PRO A 18 3.221 3.898 1.414 1.00 0.00 C +ATOM 267 C PRO A 18 2.834 5.170 0.637 1.00 0.00 C +ATOM 268 O PRO A 18 3.623 6.115 0.574 1.00 0.00 O +ATOM 269 CB PRO A 18 2.872 4.023 2.901 1.00 0.00 C +ATOM 270 CG PRO A 18 4.173 4.506 3.536 1.00 0.00 C +ATOM 271 CD PRO A 18 5.248 3.833 2.686 1.00 0.00 C +ATOM 272 HA PRO A 18 2.702 3.039 0.999 1.00 0.00 H +ATOM 273 HB2 PRO A 18 2.085 4.736 3.051 1.00 0.00 H +ATOM 274 HB3 PRO A 18 2.619 3.041 3.300 1.00 0.00 H +ATOM 275 HG2 PRO A 18 4.254 5.575 3.483 1.00 0.00 H +ATOM 276 HG3 PRO A 18 4.246 4.214 4.585 1.00 0.00 H +ATOM 277 HD2 PRO A 18 6.117 4.459 2.619 1.00 0.00 H +ATOM 278 HD3 PRO A 18 5.501 2.862 3.113 1.00 0.00 H +ATOM 279 N PRO A 19 1.620 5.223 0.057 1.00 0.00 N +ATOM 280 CA PRO A 19 1.139 6.367 -0.722 1.00 0.00 C +ATOM 281 C PRO A 19 0.477 7.473 0.123 1.00 0.00 C +ATOM 282 O PRO A 19 0.201 8.545 -0.412 1.00 0.00 O +ATOM 283 CB PRO A 19 0.125 5.747 -1.684 1.00 0.00 C +ATOM 284 CG PRO A 19 -0.519 4.650 -0.831 1.00 0.00 C +ATOM 285 CD PRO A 19 0.673 4.117 -0.040 1.00 0.00 C +ATOM 286 HA PRO A 19 1.956 6.812 -1.290 1.00 0.00 H +ATOM 287 HB2 PRO A 19 -0.603 6.470 -1.999 1.00 0.00 H +ATOM 288 HB3 PRO A 19 0.651 5.295 -2.525 1.00 0.00 H +ATOM 289 HG2 PRO A 19 -1.270 5.054 -0.179 1.00 0.00 H +ATOM 290 HG3 PRO A 19 -0.979 3.875 -1.444 1.00 0.00 H +ATOM 291 HD2 PRO A 19 0.362 3.806 0.939 1.00 0.00 H +ATOM 292 HD3 PRO A 19 1.138 3.304 -0.597 1.00 0.00 H +ATOM 293 N SER A 20 0.213 7.210 1.410 1.00 0.00 N +ATOM 294 CA SER A 20 -0.379 8.118 2.401 1.00 0.00 C +ATOM 295 C SER A 20 0.477 8.085 3.667 1.00 0.00 C +ATOM 296 O SER A 20 0.871 9.175 4.129 1.00 0.00 O +ATOM 297 CB SER A 20 -1.821 7.700 2.717 1.00 0.00 C +ATOM 298 OG SER A 20 -2.657 8.835 2.780 1.00 0.00 O +ATOM 299 OXT SER A 20 0.731 6.946 4.124 1.00 0.00 O +ATOM 300 H SER A 20 0.539 6.334 1.792 1.00 0.00 H +ATOM 301 HA SER A 20 -0.376 9.140 2.021 1.00 0.00 H +ATOM 302 HB2 SER A 20 -2.175 7.041 1.948 1.00 0.00 H +ATOM 303 HB3 SER A 20 -1.844 7.173 3.675 1.00 0.00 H +ATOM 304 HG SER A 20 -3.473 8.604 3.228 1.00 0.00 H +TER 305 SER A 20 +ENDMDL +MODEL 34 +ATOM 1 N ASN A 1 -5.799 7.830 -0.622 1.00 0.00 N +ATOM 2 CA ASN A 1 -6.880 6.904 -1.045 1.00 0.00 C +ATOM 3 C ASN A 1 -6.385 5.527 -1.533 1.00 0.00 C +ATOM 4 O ASN A 1 -7.195 4.623 -1.680 1.00 0.00 O +ATOM 5 CB ASN A 1 -7.825 7.579 -2.066 1.00 0.00 C +ATOM 6 CG ASN A 1 -9.296 7.287 -1.763 1.00 0.00 C +ATOM 7 OD1 ASN A 1 -9.622 6.455 -0.932 1.00 0.00 O +ATOM 8 ND2 ASN A 1 -10.226 7.998 -2.373 1.00 0.00 N +ATOM 9 H1 ASN A 1 -5.221 7.401 0.088 1.00 0.00 H +ATOM 10 H2 ASN A 1 -5.228 8.093 -1.416 1.00 0.00 H +ATOM 11 H3 ASN A 1 -6.207 8.670 -0.235 1.00 0.00 H +ATOM 12 HA ASN A 1 -7.484 6.690 -0.160 1.00 0.00 H +ATOM 13 HB2 ASN A 1 -7.668 8.640 -2.035 1.00 0.00 H +ATOM 14 HB3 ASN A 1 -7.593 7.245 -3.078 1.00 0.00 H +ATOM 15 HD21 ASN A 1 -10.030 8.724 -3.044 1.00 0.00 H +ATOM 16 HD22 ASN A 1 -11.167 7.758 -2.108 1.00 0.00 H +ATOM 17 N LEU A 2 -5.074 5.320 -1.762 1.00 0.00 N +ATOM 18 CA LEU A 2 -4.517 4.062 -2.295 1.00 0.00 C +ATOM 19 C LEU A 2 -3.967 3.102 -1.219 1.00 0.00 C +ATOM 20 O LEU A 2 -3.428 2.045 -1.548 1.00 0.00 O +ATOM 21 CB LEU A 2 -3.448 4.425 -3.346 1.00 0.00 C +ATOM 22 CG LEU A 2 -4.051 4.779 -4.719 1.00 0.00 C +ATOM 23 CD1 LEU A 2 -3.023 5.544 -5.556 1.00 0.00 C +ATOM 24 CD2 LEU A 2 -4.473 3.517 -5.479 1.00 0.00 C +ATOM 25 H LEU A 2 -4.397 6.057 -1.657 1.00 0.00 H +ATOM 26 HA LEU A 2 -5.309 3.505 -2.795 1.00 0.00 H +ATOM 27 HB2 LEU A 2 -2.890 5.269 -2.989 1.00 0.00 H +ATOM 28 HB3 LEU A 2 -2.757 3.592 -3.484 1.00 0.00 H +ATOM 29 HG LEU A 2 -4.923 5.421 -4.583 1.00 0.00 H +ATOM 30 HD11 LEU A 2 -2.817 6.509 -5.095 1.00 0.00 H +ATOM 31 HD12 LEU A 2 -2.096 4.973 -5.628 1.00 0.00 H +ATOM 32 HD13 LEU A 2 -3.417 5.717 -6.558 1.00 0.00 H +ATOM 33 HD21 LEU A 2 -3.615 2.859 -5.616 1.00 0.00 H +ATOM 34 HD22 LEU A 2 -5.251 2.986 -4.932 1.00 0.00 H +ATOM 35 HD23 LEU A 2 -4.869 3.792 -6.456 1.00 0.00 H +ATOM 36 N TYR A 3 -4.114 3.440 0.068 1.00 0.00 N +ATOM 37 CA TYR A 3 -3.557 2.674 1.187 1.00 0.00 C +ATOM 38 C TYR A 3 -4.050 1.217 1.220 1.00 0.00 C +ATOM 39 O TYR A 3 -3.279 0.313 1.534 1.00 0.00 O +ATOM 40 CB TYR A 3 -3.871 3.401 2.505 1.00 0.00 C +ATOM 41 CG TYR A 3 -2.796 3.226 3.558 1.00 0.00 C +ATOM 42 CD1 TYR A 3 -2.742 2.051 4.335 1.00 0.00 C +ATOM 43 CD2 TYR A 3 -1.836 4.240 3.749 1.00 0.00 C +ATOM 44 CE1 TYR A 3 -1.743 1.897 5.317 1.00 0.00 C +ATOM 45 CE2 TYR A 3 -0.837 4.088 4.726 1.00 0.00 C +ATOM 46 CZ TYR A 3 -0.793 2.923 5.516 1.00 0.00 C +ATOM 47 OH TYR A 3 0.148 2.813 6.496 1.00 0.00 O +ATOM 48 H TYR A 3 -4.583 4.306 0.272 1.00 0.00 H +ATOM 49 HA TYR A 3 -2.473 2.651 1.067 1.00 0.00 H +ATOM 50 HB2 TYR A 3 -3.978 4.449 2.299 1.00 0.00 H +ATOM 51 HB3 TYR A 3 -4.828 3.055 2.899 1.00 0.00 H +ATOM 52 HD1 TYR A 3 -3.469 1.267 4.176 1.00 0.00 H +ATOM 53 HD2 TYR A 3 -1.865 5.144 3.155 1.00 0.00 H +ATOM 54 HE1 TYR A 3 -1.699 0.996 5.909 1.00 0.00 H +ATOM 55 HE2 TYR A 3 -0.106 4.866 4.894 1.00 0.00 H +ATOM 56 HH TYR A 3 -0.189 2.359 7.268 1.00 0.00 H +ATOM 57 N ILE A 4 -5.316 0.983 0.838 1.00 0.00 N +ATOM 58 CA ILE A 4 -5.917 -0.354 0.736 1.00 0.00 C +ATOM 59 C ILE A 4 -5.164 -1.204 -0.302 1.00 0.00 C +ATOM 60 O ILE A 4 -4.740 -2.313 0.009 1.00 0.00 O +ATOM 61 CB ILE A 4 -7.431 -0.260 0.419 1.00 0.00 C +ATOM 62 CG1 ILE A 4 -8.188 0.682 1.392 1.00 0.00 C +ATOM 63 CG2 ILE A 4 -8.073 -1.658 0.464 1.00 0.00 C +ATOM 64 CD1 ILE A 4 -8.662 1.967 0.703 1.00 0.00 C +ATOM 65 H ILE A 4 -5.883 1.784 0.606 1.00 0.00 H +ATOM 66 HA ILE A 4 -5.806 -0.849 1.701 1.00 0.00 H +ATOM 67 HB ILE A 4 -7.550 0.118 -0.599 1.00 0.00 H +ATOM 68 HG12 ILE A 4 -9.043 0.163 1.781 1.00 0.00 H +ATOM 69 HG13 ILE A 4 -7.554 0.946 2.240 1.00 0.00 H +ATOM 70 HG21 ILE A 4 -7.627 -2.311 -0.285 1.00 0.00 H +ATOM 71 HG22 ILE A 4 -7.939 -2.102 1.451 1.00 0.00 H +ATOM 72 HG23 ILE A 4 -9.141 -1.582 0.251 1.00 0.00 H +ATOM 73 HD11 ILE A 4 -7.826 2.470 0.218 1.00 0.00 H +ATOM 74 HD12 ILE A 4 -9.419 1.723 -0.045 1.00 0.00 H +ATOM 75 HD13 ILE A 4 -9.102 2.636 1.442 1.00 0.00 H +ATOM 76 N GLN A 5 -4.951 -0.669 -1.512 1.00 0.00 N +ATOM 77 CA GLN A 5 -4.159 -1.301 -2.575 1.00 0.00 C +ATOM 78 C GLN A 5 -2.710 -1.563 -2.137 1.00 0.00 C +ATOM 79 O GLN A 5 -2.195 -2.659 -2.357 1.00 0.00 O +ATOM 80 CB GLN A 5 -4.205 -0.425 -3.844 1.00 0.00 C +ATOM 81 CG GLN A 5 -5.431 -0.707 -4.723 1.00 0.00 C +ATOM 82 CD GLN A 5 -5.229 -1.914 -5.660 1.00 0.00 C +ATOM 83 OE1 GLN A 5 -4.748 -2.967 -5.270 1.00 0.00 O +ATOM 84 NE2 GLN A 5 -5.591 -1.783 -6.912 1.00 0.00 N +ATOM 85 H GLN A 5 -5.269 0.277 -1.662 1.00 0.00 H +ATOM 86 HA GLN A 5 -4.597 -2.273 -2.805 1.00 0.00 H +ATOM 87 HB2 GLN A 5 -4.227 0.606 -3.547 1.00 0.00 H +ATOM 88 HB3 GLN A 5 -3.305 -0.586 -4.439 1.00 0.00 H +ATOM 89 HG2 GLN A 5 -6.272 -0.904 -4.086 1.00 0.00 H +ATOM 90 HG3 GLN A 5 -5.620 0.176 -5.336 1.00 0.00 H +ATOM 91 HE21 GLN A 5 -6.009 -0.948 -7.281 1.00 0.00 H +ATOM 92 HE22 GLN A 5 -5.424 -2.601 -7.488 1.00 0.00 H +ATOM 93 N TRP A 6 -2.061 -0.590 -1.483 1.00 0.00 N +ATOM 94 CA TRP A 6 -0.707 -0.761 -0.942 1.00 0.00 C +ATOM 95 C TRP A 6 -0.625 -1.886 0.103 1.00 0.00 C +ATOM 96 O TRP A 6 0.254 -2.748 0.014 1.00 0.00 O +ATOM 97 CB TRP A 6 -0.203 0.570 -0.378 1.00 0.00 C +ATOM 98 CG TRP A 6 1.188 0.516 0.176 1.00 0.00 C +ATOM 99 CD1 TRP A 6 2.328 0.543 -0.554 1.00 0.00 C +ATOM 100 CD2 TRP A 6 1.611 0.411 1.571 1.00 0.00 C +ATOM 101 NE1 TRP A 6 3.420 0.431 0.286 1.00 0.00 N +ATOM 102 CE2 TRP A 6 3.036 0.358 1.604 1.00 0.00 C +ATOM 103 CE3 TRP A 6 0.941 0.370 2.813 1.00 0.00 C +ATOM 104 CZ2 TRP A 6 3.764 0.276 2.797 1.00 0.00 C +ATOM 105 CZ3 TRP A 6 1.660 0.285 4.021 1.00 0.00 C +ATOM 106 CH2 TRP A 6 3.067 0.241 4.016 1.00 0.00 C +ATOM 107 H TRP A 6 -2.536 0.304 -1.365 1.00 0.00 H +ATOM 108 HA TRP A 6 -0.047 -1.048 -1.761 1.00 0.00 H +ATOM 109 HB2 TRP A 6 -0.223 1.298 -1.166 1.00 0.00 H +ATOM 110 HB3 TRP A 6 -0.876 0.904 0.412 1.00 0.00 H +ATOM 111 HD1 TRP A 6 2.371 0.637 -1.631 1.00 0.00 H +ATOM 112 HE1 TRP A 6 4.399 0.438 -0.005 1.00 0.00 H +ATOM 113 HE3 TRP A 6 -0.139 0.419 2.832 1.00 0.00 H +ATOM 114 HZ2 TRP A 6 4.843 0.240 2.765 1.00 0.00 H +ATOM 115 HZ3 TRP A 6 1.130 0.269 4.964 1.00 0.00 H +ATOM 116 HH2 TRP A 6 3.612 0.191 4.946 1.00 0.00 H +ATOM 117 N LEU A 7 -1.566 -1.931 1.058 1.00 0.00 N +ATOM 118 CA LEU A 7 -1.690 -3.054 1.991 1.00 0.00 C +ATOM 119 C LEU A 7 -1.955 -4.378 1.260 1.00 0.00 C +ATOM 120 O LEU A 7 -1.318 -5.376 1.595 1.00 0.00 O +ATOM 121 CB LEU A 7 -2.786 -2.777 3.037 1.00 0.00 C +ATOM 122 CG LEU A 7 -2.391 -1.764 4.129 1.00 0.00 C +ATOM 123 CD1 LEU A 7 -3.612 -1.492 5.013 1.00 0.00 C +ATOM 124 CD2 LEU A 7 -1.258 -2.274 5.027 1.00 0.00 C +ATOM 125 H LEU A 7 -2.249 -1.176 1.107 1.00 0.00 H +ATOM 126 HA LEU A 7 -0.737 -3.180 2.499 1.00 0.00 H +ATOM 127 HB2 LEU A 7 -3.649 -2.397 2.525 1.00 0.00 H +ATOM 128 HB3 LEU A 7 -3.042 -3.717 3.527 1.00 0.00 H +ATOM 129 HG LEU A 7 -2.078 -0.829 3.669 1.00 0.00 H +ATOM 130 HD11 LEU A 7 -4.419 -1.078 4.410 1.00 0.00 H +ATOM 131 HD12 LEU A 7 -3.953 -2.420 5.476 1.00 0.00 H +ATOM 132 HD13 LEU A 7 -3.357 -0.782 5.798 1.00 0.00 H +ATOM 133 HD21 LEU A 7 -1.530 -3.234 5.465 1.00 0.00 H +ATOM 134 HD22 LEU A 7 -0.339 -2.386 4.455 1.00 0.00 H +ATOM 135 HD23 LEU A 7 -1.069 -1.559 5.827 1.00 0.00 H +ATOM 136 N LYS A 8 -2.824 -4.393 0.234 1.00 0.00 N +ATOM 137 CA LYS A 8 -3.130 -5.587 -0.573 1.00 0.00 C +ATOM 138 C LYS A 8 -1.901 -6.192 -1.263 1.00 0.00 C +ATOM 139 O LYS A 8 -1.908 -7.378 -1.579 1.00 0.00 O +ATOM 140 CB LYS A 8 -4.203 -5.259 -1.628 1.00 0.00 C +ATOM 141 CG LYS A 8 -5.048 -6.490 -2.013 1.00 0.00 C +ATOM 142 CD LYS A 8 -5.129 -6.766 -3.523 1.00 0.00 C +ATOM 143 CE LYS A 8 -3.903 -7.532 -4.050 1.00 0.00 C +ATOM 144 NZ LYS A 8 -2.952 -6.665 -4.790 1.00 0.00 N +ATOM 145 H LYS A 8 -3.348 -3.538 0.053 1.00 0.00 H +ATOM 146 HA LYS A 8 -3.517 -6.346 0.108 1.00 0.00 H +ATOM 147 HB2 LYS A 8 -4.855 -4.504 -1.233 1.00 0.00 H +ATOM 148 HB3 LYS A 8 -3.725 -4.833 -2.511 1.00 0.00 H +ATOM 149 HG2 LYS A 8 -4.619 -7.352 -1.538 1.00 0.00 H +ATOM 150 HG3 LYS A 8 -6.060 -6.319 -1.647 1.00 0.00 H +ATOM 151 HD2 LYS A 8 -6.009 -7.348 -3.720 1.00 0.00 H +ATOM 152 HD3 LYS A 8 -5.287 -5.837 -4.075 1.00 0.00 H +ATOM 153 HE2 LYS A 8 -3.389 -7.970 -3.216 1.00 0.00 H +ATOM 154 HE3 LYS A 8 -4.260 -8.327 -4.710 1.00 0.00 H +ATOM 155 HZ1 LYS A 8 -3.417 -6.219 -5.569 1.00 0.00 H +ATOM 156 HZ2 LYS A 8 -2.573 -5.948 -4.185 1.00 0.00 H +ATOM 157 HZ3 LYS A 8 -2.177 -7.215 -5.141 1.00 0.00 H +ATOM 158 N ASP A 9 -0.868 -5.389 -1.528 1.00 0.00 N +ATOM 159 CA ASP A 9 0.415 -5.850 -2.062 1.00 0.00 C +ATOM 160 C ASP A 9 1.361 -6.433 -0.997 1.00 0.00 C +ATOM 161 O ASP A 9 2.393 -7.000 -1.356 1.00 0.00 O +ATOM 162 CB ASP A 9 1.128 -4.679 -2.755 1.00 0.00 C +ATOM 163 CG ASP A 9 1.821 -5.147 -4.033 1.00 0.00 C +ATOM 164 OD1 ASP A 9 1.092 -5.500 -4.985 1.00 0.00 O +ATOM 165 OD2 ASP A 9 3.071 -5.076 -4.089 1.00 0.00 O +ATOM 166 H ASP A 9 -0.983 -4.400 -1.335 1.00 0.00 H +ATOM 167 HA ASP A 9 0.222 -6.632 -2.802 1.00 0.00 H +ATOM 168 HB2 ASP A 9 0.407 -3.924 -3.002 1.00 0.00 H +ATOM 169 HB3 ASP A 9 1.858 -4.239 -2.072 1.00 0.00 H +ATOM 170 N GLY A 10 1.065 -6.245 0.295 1.00 0.00 N +ATOM 171 CA GLY A 10 1.887 -6.698 1.422 1.00 0.00 C +ATOM 172 C GLY A 10 2.425 -5.583 2.330 1.00 0.00 C +ATOM 173 O GLY A 10 3.181 -5.881 3.256 1.00 0.00 O +ATOM 174 H GLY A 10 0.187 -5.780 0.519 1.00 0.00 H +ATOM 175 HA2 GLY A 10 1.284 -7.365 2.037 1.00 0.00 H +ATOM 176 HA3 GLY A 10 2.742 -7.268 1.059 1.00 0.00 H +ATOM 177 N GLY A 11 2.061 -4.312 2.104 1.00 0.00 N +ATOM 178 CA GLY A 11 2.490 -3.202 2.957 1.00 0.00 C +ATOM 179 C GLY A 11 4.026 -3.036 2.995 1.00 0.00 C +ATOM 180 O GLY A 11 4.652 -3.007 1.932 1.00 0.00 O +ATOM 181 H GLY A 11 1.472 -4.098 1.305 1.00 0.00 H +ATOM 182 HA2 GLY A 11 2.054 -2.278 2.582 1.00 0.00 H +ATOM 183 HA3 GLY A 11 2.093 -3.382 3.955 1.00 0.00 H +ATOM 184 N PRO A 12 4.674 -2.922 4.179 1.00 0.00 N +ATOM 185 CA PRO A 12 6.124 -2.708 4.301 1.00 0.00 C +ATOM 186 C PRO A 12 7.022 -3.877 3.833 1.00 0.00 C +ATOM 187 O PRO A 12 8.218 -3.871 4.113 1.00 0.00 O +ATOM 188 CB PRO A 12 6.391 -2.376 5.780 1.00 0.00 C +ATOM 189 CG PRO A 12 5.023 -2.264 6.447 1.00 0.00 C +ATOM 190 CD PRO A 12 4.073 -2.998 5.504 1.00 0.00 C +ATOM 191 HA PRO A 12 6.387 -1.837 3.703 1.00 0.00 H +ATOM 192 HB2 PRO A 12 6.965 -3.158 6.239 1.00 0.00 H +ATOM 193 HB3 PRO A 12 6.935 -1.434 5.867 1.00 0.00 H +ATOM 194 HG2 PRO A 12 5.033 -2.731 7.413 1.00 0.00 H +ATOM 195 HG3 PRO A 12 4.734 -1.214 6.511 1.00 0.00 H +ATOM 196 HD2 PRO A 12 3.967 -4.022 5.806 1.00 0.00 H +ATOM 197 HD3 PRO A 12 3.094 -2.523 5.547 1.00 0.00 H +ATOM 198 N SER A 13 6.477 -4.893 3.152 1.00 0.00 N +ATOM 199 CA SER A 13 7.175 -6.119 2.726 1.00 0.00 C +ATOM 200 C SER A 13 7.263 -6.275 1.201 1.00 0.00 C +ATOM 201 O SER A 13 7.639 -7.338 0.711 1.00 0.00 O +ATOM 202 CB SER A 13 6.505 -7.331 3.383 1.00 0.00 C +ATOM 203 OG SER A 13 6.754 -7.284 4.773 1.00 0.00 O +ATOM 204 H SER A 13 5.498 -4.804 2.901 1.00 0.00 H +ATOM 205 HA SER A 13 8.208 -6.093 3.078 1.00 0.00 H +ATOM 206 HB2 SER A 13 5.448 -7.301 3.204 1.00 0.00 H +ATOM 207 HB3 SER A 13 6.916 -8.258 2.983 1.00 0.00 H +ATOM 208 HG SER A 13 6.699 -6.365 5.049 1.00 0.00 H +ATOM 209 N SER A 14 6.946 -5.213 0.448 1.00 0.00 N +ATOM 210 CA SER A 14 6.719 -5.256 -1.005 1.00 0.00 C +ATOM 211 C SER A 14 7.679 -4.357 -1.805 1.00 0.00 C +ATOM 212 O SER A 14 7.475 -4.156 -3.000 1.00 0.00 O +ATOM 213 CB SER A 14 5.251 -4.902 -1.299 1.00 0.00 C +ATOM 214 OG SER A 14 4.376 -5.610 -0.441 1.00 0.00 O +ATOM 215 H SER A 14 6.585 -4.411 0.948 1.00 0.00 H +ATOM 216 HA SER A 14 6.876 -6.275 -1.359 1.00 0.00 H +ATOM 217 HB2 SER A 14 5.108 -3.848 -1.154 1.00 0.00 H +ATOM 218 HB3 SER A 14 5.023 -5.134 -2.341 1.00 0.00 H +ATOM 219 HG SER A 14 3.677 -6.081 -0.956 1.00 0.00 H +ATOM 220 N GLY A 15 8.709 -3.785 -1.159 1.00 0.00 N +ATOM 221 CA GLY A 15 9.714 -2.925 -1.800 1.00 0.00 C +ATOM 222 C GLY A 15 9.190 -1.564 -2.282 1.00 0.00 C +ATOM 223 O GLY A 15 9.812 -0.954 -3.149 1.00 0.00 O +ATOM 224 H GLY A 15 8.834 -4.046 -0.191 1.00 0.00 H +ATOM 225 HA2 GLY A 15 10.523 -2.738 -1.093 1.00 0.00 H +ATOM 226 HA3 GLY A 15 10.138 -3.448 -2.658 1.00 0.00 H +ATOM 227 N ARG A 16 8.055 -1.092 -1.742 1.00 0.00 N +ATOM 228 CA ARG A 16 7.352 0.126 -2.173 1.00 0.00 C +ATOM 229 C ARG A 16 6.879 0.975 -0.975 1.00 0.00 C +ATOM 230 O ARG A 16 6.283 0.422 -0.047 1.00 0.00 O +ATOM 231 CB ARG A 16 6.179 -0.250 -3.105 1.00 0.00 C +ATOM 232 CG ARG A 16 5.216 -1.290 -2.506 1.00 0.00 C +ATOM 233 CD ARG A 16 3.913 -1.453 -3.294 1.00 0.00 C +ATOM 234 NE ARG A 16 3.979 -2.564 -4.251 1.00 0.00 N +ATOM 235 CZ ARG A 16 4.099 -2.562 -5.568 1.00 0.00 C +ATOM 236 NH1 ARG A 16 4.326 -1.471 -6.261 1.00 0.00 N +ATOM 237 NH2 ARG A 16 3.956 -3.703 -6.191 1.00 0.00 N +ATOM 238 H ARG A 16 7.635 -1.646 -1.010 1.00 0.00 H +ATOM 239 HA ARG A 16 8.053 0.718 -2.760 1.00 0.00 H +ATOM 240 HB2 ARG A 16 5.622 0.641 -3.323 1.00 0.00 H +ATOM 241 HB3 ARG A 16 6.585 -0.650 -4.035 1.00 0.00 H +ATOM 242 HG2 ARG A 16 5.716 -2.239 -2.480 1.00 0.00 H +ATOM 243 HG3 ARG A 16 4.938 -1.000 -1.497 1.00 0.00 H +ATOM 244 HD2 ARG A 16 3.113 -1.638 -2.604 1.00 0.00 H +ATOM 245 HD3 ARG A 16 3.642 -0.518 -3.782 1.00 0.00 H +ATOM 246 HE ARG A 16 3.778 -3.506 -3.901 1.00 0.00 H +ATOM 247 HH11 ARG A 16 4.431 -0.607 -5.761 1.00 0.00 H +ATOM 248 HH12 ARG A 16 4.393 -1.513 -7.260 1.00 0.00 H +ATOM 249 HH21 ARG A 16 3.656 -4.483 -5.580 1.00 0.00 H +ATOM 250 HH22 ARG A 16 3.997 -3.809 -7.186 1.00 0.00 H +ATOM 251 N PRO A 17 7.088 2.308 -0.976 1.00 0.00 N +ATOM 252 CA PRO A 17 6.623 3.182 0.103 1.00 0.00 C +ATOM 253 C PRO A 17 5.085 3.329 0.103 1.00 0.00 C +ATOM 254 O PRO A 17 4.453 3.095 -0.930 1.00 0.00 O +ATOM 255 CB PRO A 17 7.322 4.523 -0.149 1.00 0.00 C +ATOM 256 CG PRO A 17 7.496 4.553 -1.666 1.00 0.00 C +ATOM 257 CD PRO A 17 7.747 3.086 -2.015 1.00 0.00 C +ATOM 258 HA PRO A 17 6.949 2.777 1.062 1.00 0.00 H +ATOM 259 HB2 PRO A 17 6.713 5.342 0.184 1.00 0.00 H +ATOM 260 HB3 PRO A 17 8.304 4.513 0.328 1.00 0.00 H +ATOM 261 HG2 PRO A 17 6.610 4.918 -2.148 1.00 0.00 H +ATOM 262 HG3 PRO A 17 8.331 5.187 -1.966 1.00 0.00 H +ATOM 263 HD2 PRO A 17 7.329 2.855 -2.976 1.00 0.00 H +ATOM 264 HD3 PRO A 17 8.819 2.881 -1.995 1.00 0.00 H +ATOM 265 N PRO A 18 4.472 3.730 1.236 1.00 0.00 N +ATOM 266 CA PRO A 18 3.027 3.921 1.331 1.00 0.00 C +ATOM 267 C PRO A 18 2.560 5.180 0.573 1.00 0.00 C +ATOM 268 O PRO A 18 3.278 6.182 0.545 1.00 0.00 O +ATOM 269 CB PRO A 18 2.729 4.033 2.829 1.00 0.00 C +ATOM 270 CG PRO A 18 4.024 4.603 3.406 1.00 0.00 C +ATOM 271 CD PRO A 18 5.103 3.976 2.524 1.00 0.00 C +ATOM 272 HA PRO A 18 2.530 3.041 0.935 1.00 0.00 H +ATOM 273 HB2 PRO A 18 1.904 4.696 3.008 1.00 0.00 H +ATOM 274 HB3 PRO A 18 2.555 3.040 3.241 1.00 0.00 H +ATOM 275 HG2 PRO A 18 4.040 5.673 3.332 1.00 0.00 H +ATOM 276 HG3 PRO A 18 4.152 4.336 4.455 1.00 0.00 H +ATOM 277 HD2 PRO A 18 5.931 4.649 2.412 1.00 0.00 H +ATOM 278 HD3 PRO A 18 5.423 3.028 2.956 1.00 0.00 H +ATOM 279 N PRO A 19 1.350 5.165 -0.019 1.00 0.00 N +ATOM 280 CA PRO A 19 0.784 6.306 -0.729 1.00 0.00 C +ATOM 281 C PRO A 19 0.140 7.315 0.240 1.00 0.00 C +ATOM 282 O PRO A 19 -0.739 6.964 1.032 1.00 0.00 O +ATOM 283 CB PRO A 19 -0.244 5.698 -1.684 1.00 0.00 C +ATOM 284 CG PRO A 19 -0.754 4.477 -0.918 1.00 0.00 C +ATOM 285 CD PRO A 19 0.472 4.010 -0.137 1.00 0.00 C +ATOM 286 HA PRO A 19 1.559 6.806 -1.311 1.00 0.00 H +ATOM 287 HB2 PRO A 19 -1.041 6.389 -1.882 1.00 0.00 H +ATOM 288 HB3 PRO A 19 0.259 5.368 -2.595 1.00 0.00 H +ATOM 289 HG2 PRO A 19 -1.552 4.747 -0.254 1.00 0.00 H +ATOM 290 HG3 PRO A 19 -1.111 3.700 -1.593 1.00 0.00 H +ATOM 291 HD2 PRO A 19 0.182 3.664 0.836 1.00 0.00 H +ATOM 292 HD3 PRO A 19 0.986 3.234 -0.702 1.00 0.00 H +ATOM 293 N SER A 20 0.543 8.582 0.113 1.00 0.00 N +ATOM 294 CA SER A 20 0.016 9.748 0.833 1.00 0.00 C +ATOM 295 C SER A 20 -0.159 10.912 -0.134 1.00 0.00 C +ATOM 296 O SER A 20 -1.277 11.467 -0.133 1.00 0.00 O +ATOM 297 CB SER A 20 0.963 10.142 1.970 1.00 0.00 C +ATOM 298 OG SER A 20 0.800 9.241 3.044 1.00 0.00 O +ATOM 299 OXT SER A 20 0.816 11.191 -0.866 1.00 0.00 O +ATOM 300 H SER A 20 1.245 8.811 -0.579 1.00 0.00 H +ATOM 301 HA SER A 20 -0.972 9.534 1.233 1.00 0.00 H +ATOM 302 HB2 SER A 20 1.977 10.105 1.621 1.00 0.00 H +ATOM 303 HB3 SER A 20 0.729 11.154 2.307 1.00 0.00 H +ATOM 304 HG SER A 20 -0.132 9.020 3.102 1.00 0.00 H +TER 305 SER A 20 +ENDMDL +MODEL 35 +ATOM 1 N ASN A 1 -5.868 7.107 0.465 1.00 0.00 N +ATOM 2 CA ASN A 1 -6.755 6.451 -0.528 1.00 0.00 C +ATOM 3 C ASN A 1 -6.147 5.130 -1.011 1.00 0.00 C +ATOM 4 O ASN A 1 -6.599 4.083 -0.564 1.00 0.00 O +ATOM 5 CB ASN A 1 -7.175 7.413 -1.661 1.00 0.00 C +ATOM 6 CG ASN A 1 -8.572 7.064 -2.164 1.00 0.00 C +ATOM 7 OD1 ASN A 1 -8.793 5.981 -2.676 1.00 0.00 O +ATOM 8 ND2 ASN A 1 -9.552 7.938 -2.002 1.00 0.00 N +ATOM 9 H1 ASN A 1 -5.629 6.454 1.200 1.00 0.00 H +ATOM 10 H2 ASN A 1 -5.021 7.437 0.025 1.00 0.00 H +ATOM 11 H3 ASN A 1 -6.346 7.894 0.882 1.00 0.00 H +ATOM 12 HA ASN A 1 -7.671 6.165 -0.007 1.00 0.00 H +ATOM 13 HB2 ASN A 1 -7.174 8.419 -1.289 1.00 0.00 H +ATOM 14 HB3 ASN A 1 -6.479 7.362 -2.498 1.00 0.00 H +ATOM 15 HD21 ASN A 1 -9.433 8.852 -1.600 1.00 0.00 H +ATOM 16 HD22 ASN A 1 -10.445 7.627 -2.351 1.00 0.00 H +ATOM 17 N LEU A 2 -5.067 5.159 -1.809 1.00 0.00 N +ATOM 18 CA LEU A 2 -4.393 3.972 -2.370 1.00 0.00 C +ATOM 19 C LEU A 2 -3.815 2.986 -1.322 1.00 0.00 C +ATOM 20 O LEU A 2 -3.405 1.881 -1.670 1.00 0.00 O +ATOM 21 CB LEU A 2 -3.318 4.475 -3.359 1.00 0.00 C +ATOM 22 CG LEU A 2 -2.775 3.391 -4.321 1.00 0.00 C +ATOM 23 CD1 LEU A 2 -2.886 3.852 -5.776 1.00 0.00 C +ATOM 24 CD2 LEU A 2 -1.305 3.059 -4.036 1.00 0.00 C +ATOM 25 H LEU A 2 -4.731 6.044 -2.158 1.00 0.00 H +ATOM 26 HA LEU A 2 -5.136 3.416 -2.944 1.00 0.00 H +ATOM 27 HB2 LEU A 2 -3.747 5.262 -3.949 1.00 0.00 H +ATOM 28 HB3 LEU A 2 -2.496 4.924 -2.803 1.00 0.00 H +ATOM 29 HG LEU A 2 -3.366 2.482 -4.221 1.00 0.00 H +ATOM 30 HD11 LEU A 2 -3.924 4.091 -6.007 1.00 0.00 H +ATOM 31 HD12 LEU A 2 -2.264 4.732 -5.945 1.00 0.00 H +ATOM 32 HD13 LEU A 2 -2.567 3.048 -6.440 1.00 0.00 H +ATOM 33 HD21 LEU A 2 -0.682 3.941 -4.189 1.00 0.00 H +ATOM 34 HD22 LEU A 2 -1.195 2.711 -3.010 1.00 0.00 H +ATOM 35 HD23 LEU A 2 -0.974 2.268 -4.708 1.00 0.00 H +ATOM 36 N TYR A 3 -3.811 3.352 -0.033 1.00 0.00 N +ATOM 37 CA TYR A 3 -3.274 2.565 1.082 1.00 0.00 C +ATOM 38 C TYR A 3 -3.871 1.151 1.162 1.00 0.00 C +ATOM 39 O TYR A 3 -3.162 0.203 1.485 1.00 0.00 O +ATOM 40 CB TYR A 3 -3.498 3.331 2.395 1.00 0.00 C +ATOM 41 CG TYR A 3 -2.474 3.026 3.471 1.00 0.00 C +ATOM 42 CD1 TYR A 3 -2.556 1.845 4.232 1.00 0.00 C +ATOM 43 CD2 TYR A 3 -1.445 3.950 3.728 1.00 0.00 C +ATOM 44 CE1 TYR A 3 -1.614 1.596 5.250 1.00 0.00 C +ATOM 45 CE2 TYR A 3 -0.515 3.719 4.759 1.00 0.00 C +ATOM 46 CZ TYR A 3 -0.602 2.538 5.524 1.00 0.00 C +ATOM 47 OH TYR A 3 0.272 2.308 6.543 1.00 0.00 O +ATOM 48 H TYR A 3 -4.199 4.255 0.180 1.00 0.00 H +ATOM 49 HA TYR A 3 -2.199 2.466 0.933 1.00 0.00 H +ATOM 50 HB2 TYR A 3 -3.461 4.382 2.183 1.00 0.00 H +ATOM 51 HB3 TYR A 3 -4.496 3.115 2.779 1.00 0.00 H +ATOM 52 HD1 TYR A 3 -3.347 1.135 4.044 1.00 0.00 H +ATOM 53 HD2 TYR A 3 -1.383 4.866 3.163 1.00 0.00 H +ATOM 54 HE1 TYR A 3 -1.662 0.704 5.850 1.00 0.00 H +ATOM 55 HE2 TYR A 3 0.238 4.465 4.970 1.00 0.00 H +ATOM 56 HH TYR A 3 0.748 3.106 6.781 1.00 0.00 H +ATOM 57 N ILE A 4 -5.156 0.994 0.814 1.00 0.00 N +ATOM 58 CA ILE A 4 -5.850 -0.301 0.744 1.00 0.00 C +ATOM 59 C ILE A 4 -5.166 -1.221 -0.284 1.00 0.00 C +ATOM 60 O ILE A 4 -4.867 -2.383 0.001 1.00 0.00 O +ATOM 61 CB ILE A 4 -7.341 -0.069 0.393 1.00 0.00 C +ATOM 62 CG1 ILE A 4 -8.074 0.816 1.434 1.00 0.00 C +ATOM 63 CG2 ILE A 4 -8.093 -1.407 0.261 1.00 0.00 C +ATOM 64 CD1 ILE A 4 -9.121 1.725 0.775 1.00 0.00 C +ATOM 65 H ILE A 4 -5.666 1.828 0.551 1.00 0.00 H +ATOM 66 HA ILE A 4 -5.792 -0.788 1.718 1.00 0.00 H +ATOM 67 HB ILE A 4 -7.379 0.436 -0.575 1.00 0.00 H +ATOM 68 HG12 ILE A 4 -8.565 0.180 2.146 1.00 0.00 H +ATOM 69 HG13 ILE A 4 -7.376 1.460 1.967 1.00 0.00 H +ATOM 70 HG21 ILE A 4 -7.735 -1.962 -0.606 1.00 0.00 H +ATOM 71 HG22 ILE A 4 -7.943 -2.009 1.159 1.00 0.00 H +ATOM 72 HG23 ILE A 4 -9.159 -1.227 0.131 1.00 0.00 H +ATOM 73 HD11 ILE A 4 -8.623 2.466 0.151 1.00 0.00 H +ATOM 74 HD12 ILE A 4 -9.802 1.138 0.157 1.00 0.00 H +ATOM 75 HD13 ILE A 4 -9.693 2.241 1.546 1.00 0.00 H +ATOM 76 N GLN A 5 -4.893 -0.684 -1.479 1.00 0.00 N +ATOM 77 CA GLN A 5 -4.220 -1.377 -2.577 1.00 0.00 C +ATOM 78 C GLN A 5 -2.743 -1.658 -2.245 1.00 0.00 C +ATOM 79 O GLN A 5 -2.248 -2.748 -2.519 1.00 0.00 O +ATOM 80 CB GLN A 5 -4.380 -0.533 -3.859 1.00 0.00 C +ATOM 81 CG GLN A 5 -4.875 -1.373 -5.046 1.00 0.00 C +ATOM 82 CD GLN A 5 -5.310 -0.493 -6.218 1.00 0.00 C +ATOM 83 OE1 GLN A 5 -4.652 0.465 -6.592 1.00 0.00 O +ATOM 84 NE2 GLN A 5 -6.447 -0.772 -6.830 1.00 0.00 N +ATOM 85 H GLN A 5 -5.079 0.301 -1.598 1.00 0.00 H +ATOM 86 HA GLN A 5 -4.712 -2.339 -2.718 1.00 0.00 H +ATOM 87 HB2 GLN A 5 -5.088 0.251 -3.671 1.00 0.00 H +ATOM 88 HB3 GLN A 5 -3.433 -0.060 -4.120 1.00 0.00 H +ATOM 89 HG2 GLN A 5 -4.081 -2.018 -5.371 1.00 0.00 H +ATOM 90 HG3 GLN A 5 -5.728 -1.974 -4.725 1.00 0.00 H +ATOM 91 HE21 GLN A 5 -7.033 -1.546 -6.574 1.00 0.00 H +ATOM 92 HE22 GLN A 5 -6.664 -0.145 -7.586 1.00 0.00 H +ATOM 93 N TRP A 6 -2.061 -0.708 -1.593 1.00 0.00 N +ATOM 94 CA TRP A 6 -0.699 -0.882 -1.080 1.00 0.00 C +ATOM 95 C TRP A 6 -0.600 -1.986 -0.008 1.00 0.00 C +ATOM 96 O TRP A 6 0.299 -2.830 -0.069 1.00 0.00 O +ATOM 97 CB TRP A 6 -0.198 0.465 -0.550 1.00 0.00 C +ATOM 98 CG TRP A 6 1.182 0.437 0.022 1.00 0.00 C +ATOM 99 CD1 TRP A 6 2.329 0.427 -0.694 1.00 0.00 C +ATOM 100 CD2 TRP A 6 1.580 0.373 1.425 1.00 0.00 C +ATOM 101 NE1 TRP A 6 3.407 0.351 0.167 1.00 0.00 N +ATOM 102 CE2 TRP A 6 3.005 0.332 1.482 1.00 0.00 C +ATOM 103 CE3 TRP A 6 0.886 0.337 2.656 1.00 0.00 C +ATOM 104 CZ2 TRP A 6 3.709 0.283 2.693 1.00 0.00 C +ATOM 105 CZ3 TRP A 6 1.584 0.265 3.877 1.00 0.00 C +ATOM 106 CH2 TRP A 6 2.991 0.248 3.900 1.00 0.00 C +ATOM 107 H TRP A 6 -2.532 0.184 -1.455 1.00 0.00 H +ATOM 108 HA TRP A 6 -0.054 -1.185 -1.905 1.00 0.00 H +ATOM 109 HB2 TRP A 6 -0.210 1.168 -1.360 1.00 0.00 H +ATOM 110 HB3 TRP A 6 -0.877 0.814 0.226 1.00 0.00 H +ATOM 111 HD1 TRP A 6 2.391 0.455 -1.774 1.00 0.00 H +ATOM 112 HE1 TRP A 6 4.385 0.314 -0.130 1.00 0.00 H +ATOM 113 HE3 TRP A 6 -0.194 0.363 2.653 1.00 0.00 H +ATOM 114 HZ2 TRP A 6 4.789 0.251 2.682 1.00 0.00 H +ATOM 115 HZ3 TRP A 6 1.036 0.230 4.808 1.00 0.00 H +ATOM 116 HH2 TRP A 6 3.515 0.202 4.842 1.00 0.00 H +ATOM 117 N LEU A 7 -1.541 -2.027 0.949 1.00 0.00 N +ATOM 118 CA LEU A 7 -1.640 -3.112 1.929 1.00 0.00 C +ATOM 119 C LEU A 7 -1.889 -4.468 1.261 1.00 0.00 C +ATOM 120 O LEU A 7 -1.238 -5.436 1.646 1.00 0.00 O +ATOM 121 CB LEU A 7 -2.740 -2.826 2.968 1.00 0.00 C +ATOM 122 CG LEU A 7 -2.343 -1.833 4.074 1.00 0.00 C +ATOM 123 CD1 LEU A 7 -3.572 -1.572 4.953 1.00 0.00 C +ATOM 124 CD2 LEU A 7 -1.217 -2.363 4.972 1.00 0.00 C +ATOM 125 H LEU A 7 -2.224 -1.274 0.990 1.00 0.00 H +ATOM 126 HA LEU A 7 -0.682 -3.200 2.437 1.00 0.00 H +ATOM 127 HB2 LEU A 7 -3.591 -2.427 2.451 1.00 0.00 H +ATOM 128 HB3 LEU A 7 -3.015 -3.766 3.448 1.00 0.00 H +ATOM 129 HG LEU A 7 -2.019 -0.896 3.626 1.00 0.00 H +ATOM 130 HD11 LEU A 7 -4.372 -1.143 4.348 1.00 0.00 H +ATOM 131 HD12 LEU A 7 -3.920 -2.504 5.398 1.00 0.00 H +ATOM 132 HD13 LEU A 7 -3.325 -0.876 5.753 1.00 0.00 H +ATOM 133 HD21 LEU A 7 -1.486 -3.340 5.377 1.00 0.00 H +ATOM 134 HD22 LEU A 7 -0.290 -2.450 4.406 1.00 0.00 H +ATOM 135 HD23 LEU A 7 -1.040 -1.673 5.795 1.00 0.00 H +ATOM 136 N LYS A 8 -2.770 -4.540 0.248 1.00 0.00 N +ATOM 137 CA LYS A 8 -3.034 -5.773 -0.517 1.00 0.00 C +ATOM 138 C LYS A 8 -1.772 -6.426 -1.091 1.00 0.00 C +ATOM 139 O LYS A 8 -1.728 -7.650 -1.174 1.00 0.00 O +ATOM 140 CB LYS A 8 -4.047 -5.506 -1.649 1.00 0.00 C +ATOM 141 CG LYS A 8 -5.490 -5.877 -1.287 1.00 0.00 C +ATOM 142 CD LYS A 8 -5.698 -7.403 -1.249 1.00 0.00 C +ATOM 143 CE LYS A 8 -7.160 -7.768 -0.972 1.00 0.00 C +ATOM 144 NZ LYS A 8 -8.019 -7.558 -2.161 1.00 0.00 N +ATOM 145 H LYS A 8 -3.298 -3.699 0.023 1.00 0.00 H +ATOM 146 HA LYS A 8 -3.441 -6.510 0.174 1.00 0.00 H +ATOM 147 HB2 LYS A 8 -4.017 -4.461 -1.891 1.00 0.00 H +ATOM 148 HB3 LYS A 8 -3.763 -6.070 -2.541 1.00 0.00 H +ATOM 149 HG2 LYS A 8 -5.721 -5.471 -0.321 1.00 0.00 H +ATOM 150 HG3 LYS A 8 -6.147 -5.448 -2.044 1.00 0.00 H +ATOM 151 HD2 LYS A 8 -5.409 -7.817 -2.196 1.00 0.00 H +ATOM 152 HD3 LYS A 8 -5.085 -7.829 -0.456 1.00 0.00 H +ATOM 153 HE2 LYS A 8 -7.211 -8.801 -0.686 1.00 0.00 H +ATOM 154 HE3 LYS A 8 -7.517 -7.163 -0.132 1.00 0.00 H +ATOM 155 HZ1 LYS A 8 -7.967 -6.595 -2.466 1.00 0.00 H +ATOM 156 HZ2 LYS A 8 -7.713 -8.153 -2.920 1.00 0.00 H +ATOM 157 HZ3 LYS A 8 -8.983 -7.781 -1.944 1.00 0.00 H +ATOM 158 N ASP A 9 -0.765 -5.631 -1.463 1.00 0.00 N +ATOM 159 CA ASP A 9 0.519 -6.121 -1.972 1.00 0.00 C +ATOM 160 C ASP A 9 1.445 -6.678 -0.865 1.00 0.00 C +ATOM 161 O ASP A 9 2.350 -7.452 -1.161 1.00 0.00 O +ATOM 162 CB ASP A 9 1.192 -4.971 -2.744 1.00 0.00 C +ATOM 163 CG ASP A 9 2.106 -5.477 -3.863 1.00 0.00 C +ATOM 164 OD1 ASP A 9 1.541 -5.942 -4.878 1.00 0.00 O +ATOM 165 OD2 ASP A 9 3.339 -5.352 -3.715 1.00 0.00 O +ATOM 166 H ASP A 9 -0.913 -4.632 -1.417 1.00 0.00 H +ATOM 167 HA ASP A 9 0.324 -6.932 -2.676 1.00 0.00 H +ATOM 168 HB2 ASP A 9 0.429 -4.352 -3.175 1.00 0.00 H +ATOM 169 HB3 ASP A 9 1.743 -4.334 -2.055 1.00 0.00 H +ATOM 170 N GLY A 10 1.199 -6.324 0.409 1.00 0.00 N +ATOM 171 CA GLY A 10 2.035 -6.695 1.561 1.00 0.00 C +ATOM 172 C GLY A 10 2.549 -5.516 2.405 1.00 0.00 C +ATOM 173 O GLY A 10 3.396 -5.721 3.280 1.00 0.00 O +ATOM 174 H GLY A 10 0.336 -5.822 0.592 1.00 0.00 H +ATOM 175 HA2 GLY A 10 1.449 -7.339 2.217 1.00 0.00 H +ATOM 176 HA3 GLY A 10 2.902 -7.263 1.226 1.00 0.00 H +ATOM 177 N GLY A 11 2.066 -4.289 2.167 1.00 0.00 N +ATOM 178 CA GLY A 11 2.482 -3.079 2.879 1.00 0.00 C +ATOM 179 C GLY A 11 4.013 -2.881 2.908 1.00 0.00 C +ATOM 180 O GLY A 11 4.621 -2.749 1.846 1.00 0.00 O +ATOM 181 H GLY A 11 1.409 -4.178 1.404 1.00 0.00 H +ATOM 182 HA2 GLY A 11 2.044 -2.219 2.376 1.00 0.00 H +ATOM 183 HA3 GLY A 11 2.076 -3.118 3.887 1.00 0.00 H +ATOM 184 N PRO A 12 4.676 -2.846 4.086 1.00 0.00 N +ATOM 185 CA PRO A 12 6.134 -2.696 4.170 1.00 0.00 C +ATOM 186 C PRO A 12 6.928 -3.774 3.419 1.00 0.00 C +ATOM 187 O PRO A 12 8.047 -3.516 2.983 1.00 0.00 O +ATOM 188 CB PRO A 12 6.477 -2.732 5.665 1.00 0.00 C +ATOM 189 CG PRO A 12 5.171 -2.350 6.354 1.00 0.00 C +ATOM 190 CD PRO A 12 4.103 -2.919 5.422 1.00 0.00 C +ATOM 191 HA PRO A 12 6.404 -1.720 3.765 1.00 0.00 H +ATOM 192 HB2 PRO A 12 6.791 -3.715 5.961 1.00 0.00 H +ATOM 193 HB3 PRO A 12 7.280 -2.035 5.906 1.00 0.00 H +ATOM 194 HG2 PRO A 12 5.107 -2.794 7.329 1.00 0.00 H +ATOM 195 HG3 PRO A 12 5.083 -1.262 6.389 1.00 0.00 H +ATOM 196 HD2 PRO A 12 3.883 -3.937 5.681 1.00 0.00 H +ATOM 197 HD3 PRO A 12 3.191 -2.329 5.510 1.00 0.00 H +ATOM 198 N SER A 13 6.360 -4.977 3.249 1.00 0.00 N +ATOM 199 CA SER A 13 7.010 -6.099 2.562 1.00 0.00 C +ATOM 200 C SER A 13 6.911 -6.017 1.027 1.00 0.00 C +ATOM 201 O SER A 13 7.428 -6.898 0.345 1.00 0.00 O +ATOM 202 CB SER A 13 6.444 -7.423 3.092 1.00 0.00 C +ATOM 203 OG SER A 13 6.672 -7.521 4.489 1.00 0.00 O +ATOM 204 H SER A 13 5.417 -5.134 3.594 1.00 0.00 H +ATOM 205 HA SER A 13 8.075 -6.080 2.799 1.00 0.00 H +ATOM 206 HB2 SER A 13 5.389 -7.461 2.900 1.00 0.00 H +ATOM 207 HB3 SER A 13 6.937 -8.259 2.596 1.00 0.00 H +ATOM 208 HG SER A 13 7.611 -7.422 4.660 1.00 0.00 H +ATOM 209 N SER A 14 6.292 -4.962 0.480 1.00 0.00 N +ATOM 210 CA SER A 14 6.048 -4.754 -0.957 1.00 0.00 C +ATOM 211 C SER A 14 7.176 -4.018 -1.697 1.00 0.00 C +ATOM 212 O SER A 14 7.059 -3.747 -2.892 1.00 0.00 O +ATOM 213 CB SER A 14 4.777 -3.919 -1.127 1.00 0.00 C +ATOM 214 OG SER A 14 3.709 -4.470 -0.389 1.00 0.00 O +ATOM 215 H SER A 14 5.828 -4.305 1.101 1.00 0.00 H +ATOM 216 HA SER A 14 5.888 -5.719 -1.440 1.00 0.00 H +ATOM 217 HB2 SER A 14 4.964 -2.920 -0.782 1.00 0.00 H +ATOM 218 HB3 SER A 14 4.508 -3.877 -2.181 1.00 0.00 H +ATOM 219 HG SER A 14 2.926 -3.939 -0.562 1.00 0.00 H +ATOM 220 N GLY A 15 8.243 -3.596 -1.007 1.00 0.00 N +ATOM 221 CA GLY A 15 9.361 -2.835 -1.585 1.00 0.00 C +ATOM 222 C GLY A 15 9.056 -1.352 -1.859 1.00 0.00 C +ATOM 223 O GLY A 15 9.930 -0.509 -1.670 1.00 0.00 O +ATOM 224 H GLY A 15 8.265 -3.821 -0.022 1.00 0.00 H +ATOM 225 HA2 GLY A 15 10.215 -2.889 -0.911 1.00 0.00 H +ATOM 226 HA3 GLY A 15 9.653 -3.296 -2.529 1.00 0.00 H +ATOM 227 N ARG A 16 7.831 -1.015 -2.290 1.00 0.00 N +ATOM 228 CA ARG A 16 7.367 0.368 -2.493 1.00 0.00 C +ATOM 229 C ARG A 16 6.877 0.999 -1.170 1.00 0.00 C +ATOM 230 O ARG A 16 6.119 0.344 -0.451 1.00 0.00 O +ATOM 231 CB ARG A 16 6.250 0.369 -3.554 1.00 0.00 C +ATOM 232 CG ARG A 16 5.874 1.792 -3.992 1.00 0.00 C +ATOM 233 CD ARG A 16 4.768 1.802 -5.052 1.00 0.00 C +ATOM 234 NE ARG A 16 4.592 3.152 -5.624 1.00 0.00 N +ATOM 235 CZ ARG A 16 5.342 3.725 -6.562 1.00 0.00 C +ATOM 236 NH1 ARG A 16 6.353 3.099 -7.118 1.00 0.00 N +ATOM 237 NH2 ARG A 16 5.089 4.951 -6.960 1.00 0.00 N +ATOM 238 H ARG A 16 7.202 -1.790 -2.478 1.00 0.00 H +ATOM 239 HA ARG A 16 8.215 0.937 -2.874 1.00 0.00 H +ATOM 240 HB2 ARG A 16 6.587 -0.180 -4.412 1.00 0.00 H +ATOM 241 HB3 ARG A 16 5.369 -0.141 -3.162 1.00 0.00 H +ATOM 242 HG2 ARG A 16 5.534 2.339 -3.134 1.00 0.00 H +ATOM 243 HG3 ARG A 16 6.762 2.274 -4.401 1.00 0.00 H +ATOM 244 HD2 ARG A 16 5.029 1.120 -5.838 1.00 0.00 H +ATOM 245 HD3 ARG A 16 3.833 1.483 -4.587 1.00 0.00 H +ATOM 246 HE ARG A 16 3.843 3.705 -5.240 1.00 0.00 H +ATOM 247 HH11 ARG A 16 6.545 2.161 -6.819 1.00 0.00 H +ATOM 248 HH12 ARG A 16 6.918 3.536 -7.824 1.00 0.00 H +ATOM 249 HH21 ARG A 16 4.328 5.470 -6.560 1.00 0.00 H +ATOM 250 HH22 ARG A 16 5.659 5.373 -7.669 1.00 0.00 H +ATOM 251 N PRO A 17 7.221 2.269 -0.859 1.00 0.00 N +ATOM 252 CA PRO A 17 6.705 2.983 0.318 1.00 0.00 C +ATOM 253 C PRO A 17 5.183 3.245 0.249 1.00 0.00 C +ATOM 254 O PRO A 17 4.594 3.146 -0.833 1.00 0.00 O +ATOM 255 CB PRO A 17 7.498 4.298 0.370 1.00 0.00 C +ATOM 256 CG PRO A 17 7.885 4.544 -1.084 1.00 0.00 C +ATOM 257 CD PRO A 17 8.134 3.131 -1.601 1.00 0.00 C +ATOM 258 HA PRO A 17 6.917 2.397 1.214 1.00 0.00 H +ATOM 259 HB2 PRO A 17 6.889 5.098 0.744 1.00 0.00 H +ATOM 260 HB3 PRO A 17 8.399 4.155 0.967 1.00 0.00 H +ATOM 261 HG2 PRO A 17 7.088 5.020 -1.623 1.00 0.00 H +ATOM 262 HG3 PRO A 17 8.772 5.172 -1.170 1.00 0.00 H +ATOM 263 HD2 PRO A 17 7.928 3.076 -2.653 1.00 0.00 H +ATOM 264 HD3 PRO A 17 9.163 2.835 -1.385 1.00 0.00 H +ATOM 265 N PRO A 18 4.535 3.602 1.379 1.00 0.00 N +ATOM 266 CA PRO A 18 3.098 3.869 1.415 1.00 0.00 C +ATOM 267 C PRO A 18 2.719 5.165 0.669 1.00 0.00 C +ATOM 268 O PRO A 18 3.544 6.071 0.542 1.00 0.00 O +ATOM 269 CB PRO A 18 2.731 3.957 2.902 1.00 0.00 C +ATOM 270 CG PRO A 18 4.030 4.415 3.560 1.00 0.00 C +ATOM 271 CD PRO A 18 5.106 3.739 2.712 1.00 0.00 C +ATOM 272 HA PRO A 18 2.577 3.026 0.967 1.00 0.00 H +ATOM 273 HB2 PRO A 18 1.947 4.671 3.062 1.00 0.00 H +ATOM 274 HB3 PRO A 18 2.465 2.968 3.271 1.00 0.00 H +ATOM 275 HG2 PRO A 18 4.125 5.483 3.523 1.00 0.00 H +ATOM 276 HG3 PRO A 18 4.086 4.106 4.605 1.00 0.00 H +ATOM 277 HD2 PRO A 18 5.991 4.345 2.679 1.00 0.00 H +ATOM 278 HD3 PRO A 18 5.326 2.749 3.115 1.00 0.00 H +ATOM 279 N PRO A 19 1.459 5.284 0.203 1.00 0.00 N +ATOM 280 CA PRO A 19 0.978 6.448 -0.545 1.00 0.00 C +ATOM 281 C PRO A 19 0.572 7.643 0.336 1.00 0.00 C +ATOM 282 O PRO A 19 0.552 8.771 -0.151 1.00 0.00 O +ATOM 283 CB PRO A 19 -0.242 5.929 -1.311 1.00 0.00 C +ATOM 284 CG PRO A 19 -0.801 4.845 -0.388 1.00 0.00 C +ATOM 285 CD PRO A 19 0.449 4.236 0.235 1.00 0.00 C +ATOM 286 HA PRO A 19 1.734 6.784 -1.254 1.00 0.00 H +ATOM 287 HB2 PRO A 19 -0.960 6.711 -1.465 1.00 0.00 H +ATOM 288 HB3 PRO A 19 0.084 5.476 -2.248 1.00 0.00 H +ATOM 289 HG2 PRO A 19 -1.437 5.271 0.364 1.00 0.00 H +ATOM 290 HG3 PRO A 19 -1.352 4.094 -0.947 1.00 0.00 H +ATOM 291 HD2 PRO A 19 0.254 3.936 1.246 1.00 0.00 H +ATOM 292 HD3 PRO A 19 0.782 3.395 -0.374 1.00 0.00 H +ATOM 293 N SER A 20 0.203 7.390 1.598 1.00 0.00 N +ATOM 294 CA SER A 20 -0.287 8.373 2.572 1.00 0.00 C +ATOM 295 C SER A 20 -0.081 7.848 3.993 1.00 0.00 C +ATOM 296 O SER A 20 -0.913 6.978 4.355 1.00 0.00 O +ATOM 297 CB SER A 20 -1.774 8.674 2.311 1.00 0.00 C +ATOM 298 OG SER A 20 -2.506 7.508 2.636 1.00 0.00 O +ATOM 299 OXT SER A 20 0.876 8.292 4.654 1.00 0.00 O +ATOM 300 H SER A 20 0.248 6.431 1.907 1.00 0.00 H +ATOM 301 HA SER A 20 0.288 9.295 2.477 1.00 0.00 H +ATOM 302 HB2 SER A 20 -2.096 9.492 2.926 1.00 0.00 H +ATOM 303 HB3 SER A 20 -1.935 8.957 1.270 1.00 0.00 H +ATOM 304 HG SER A 20 -1.946 7.163 3.425 1.00 0.00 H +TER 305 SER A 20 +ENDMDL +MODEL 36 +ATOM 1 N ASN A 1 -8.345 5.007 0.601 1.00 0.00 N +ATOM 2 CA ASN A 1 -8.415 4.187 -0.632 1.00 0.00 C +ATOM 3 C ASN A 1 -7.045 3.669 -1.059 1.00 0.00 C +ATOM 4 O ASN A 1 -6.816 2.479 -0.901 1.00 0.00 O +ATOM 5 CB ASN A 1 -9.197 4.893 -1.758 1.00 0.00 C +ATOM 6 CG ASN A 1 -10.643 5.166 -1.337 1.00 0.00 C +ATOM 7 OD1 ASN A 1 -10.996 4.994 -0.179 1.00 0.00 O +ATOM 8 ND2 ASN A 1 -11.503 5.612 -2.232 1.00 0.00 N +ATOM 9 H1 ASN A 1 -7.873 4.502 1.338 1.00 0.00 H +ATOM 10 H2 ASN A 1 -7.870 5.880 0.423 1.00 0.00 H +ATOM 11 H3 ASN A 1 -9.297 5.207 0.895 1.00 0.00 H +ATOM 12 HA ASN A 1 -8.987 3.291 -0.382 1.00 0.00 H +ATOM 13 HB2 ASN A 1 -8.717 5.825 -1.987 1.00 0.00 H +ATOM 14 HB3 ASN A 1 -9.208 4.248 -2.640 1.00 0.00 H +ATOM 15 HD21 ASN A 1 -11.263 5.791 -3.194 1.00 0.00 H +ATOM 16 HD22 ASN A 1 -12.436 5.760 -1.880 1.00 0.00 H +ATOM 17 N LEU A 2 -6.121 4.518 -1.533 1.00 0.00 N +ATOM 18 CA LEU A 2 -4.809 4.093 -2.051 1.00 0.00 C +ATOM 19 C LEU A 2 -4.031 3.175 -1.085 1.00 0.00 C +ATOM 20 O LEU A 2 -3.434 2.185 -1.506 1.00 0.00 O +ATOM 21 CB LEU A 2 -3.963 5.337 -2.400 1.00 0.00 C +ATOM 22 CG LEU A 2 -4.300 6.102 -3.694 1.00 0.00 C +ATOM 23 CD1 LEU A 2 -4.155 5.211 -4.929 1.00 0.00 C +ATOM 24 CD2 LEU A 2 -5.687 6.754 -3.691 1.00 0.00 C +ATOM 25 H LEU A 2 -6.348 5.491 -1.680 1.00 0.00 H +ATOM 26 HA LEU A 2 -4.967 3.507 -2.957 1.00 0.00 H +ATOM 27 HB2 LEU A 2 -4.062 6.029 -1.586 1.00 0.00 H +ATOM 28 HB3 LEU A 2 -2.931 5.009 -2.510 1.00 0.00 H +ATOM 29 HG LEU A 2 -3.568 6.906 -3.783 1.00 0.00 H +ATOM 30 HD11 LEU A 2 -3.189 4.708 -4.910 1.00 0.00 H +ATOM 31 HD12 LEU A 2 -4.950 4.465 -4.963 1.00 0.00 H +ATOM 32 HD13 LEU A 2 -4.210 5.824 -5.829 1.00 0.00 H +ATOM 33 HD21 LEU A 2 -6.467 5.996 -3.738 1.00 0.00 H +ATOM 34 HD22 LEU A 2 -5.803 7.376 -2.804 1.00 0.00 H +ATOM 35 HD23 LEU A 2 -5.778 7.392 -4.570 1.00 0.00 H +ATOM 36 N TYR A 3 -4.080 3.473 0.219 1.00 0.00 N +ATOM 37 CA TYR A 3 -3.443 2.669 1.265 1.00 0.00 C +ATOM 38 C TYR A 3 -3.970 1.221 1.326 1.00 0.00 C +ATOM 39 O TYR A 3 -3.220 0.316 1.685 1.00 0.00 O +ATOM 40 CB TYR A 3 -3.618 3.386 2.614 1.00 0.00 C +ATOM 41 CG TYR A 3 -2.451 3.202 3.563 1.00 0.00 C +ATOM 42 CD1 TYR A 3 -2.336 2.022 4.319 1.00 0.00 C +ATOM 43 CD2 TYR A 3 -1.484 4.220 3.700 1.00 0.00 C +ATOM 44 CE1 TYR A 3 -1.266 1.859 5.218 1.00 0.00 C +ATOM 45 CE2 TYR A 3 -0.422 4.070 4.610 1.00 0.00 C +ATOM 46 CZ TYR A 3 -0.314 2.887 5.374 1.00 0.00 C +ATOM 47 OH TYR A 3 0.689 2.738 6.281 1.00 0.00 O +ATOM 48 H TYR A 3 -4.533 4.332 0.484 1.00 0.00 H +ATOM 49 HA TYR A 3 -2.376 2.623 1.045 1.00 0.00 H +ATOM 50 HB2 TYR A 3 -3.738 4.435 2.426 1.00 0.00 H +ATOM 51 HB3 TYR A 3 -4.533 3.034 3.097 1.00 0.00 H +ATOM 52 HD1 TYR A 3 -3.073 1.242 4.208 1.00 0.00 H +ATOM 53 HD2 TYR A 3 -1.561 5.130 3.117 1.00 0.00 H +ATOM 54 HE1 TYR A 3 -1.168 0.961 5.808 1.00 0.00 H +ATOM 55 HE2 TYR A 3 0.304 4.861 4.721 1.00 0.00 H +ATOM 56 HH TYR A 3 1.122 3.570 6.477 1.00 0.00 H +ATOM 57 N ILE A 4 -5.233 0.982 0.940 1.00 0.00 N +ATOM 58 CA ILE A 4 -5.848 -0.352 0.877 1.00 0.00 C +ATOM 59 C ILE A 4 -5.163 -1.178 -0.214 1.00 0.00 C +ATOM 60 O ILE A 4 -4.701 -2.283 0.059 1.00 0.00 O +ATOM 61 CB ILE A 4 -7.377 -0.269 0.636 1.00 0.00 C +ATOM 62 CG1 ILE A 4 -8.108 0.711 1.586 1.00 0.00 C +ATOM 63 CG2 ILE A 4 -8.024 -1.663 0.703 1.00 0.00 C +ATOM 64 CD1 ILE A 4 -8.003 0.381 3.081 1.00 0.00 C +ATOM 65 H ILE A 4 -5.759 1.748 0.533 1.00 0.00 H +ATOM 66 HA ILE A 4 -5.674 -0.861 1.826 1.00 0.00 H +ATOM 67 HB ILE A 4 -7.542 0.099 -0.378 1.00 0.00 H +ATOM 68 HG12 ILE A 4 -7.695 1.690 1.433 1.00 0.00 H +ATOM 69 HG13 ILE A 4 -9.164 0.739 1.316 1.00 0.00 H +ATOM 70 HG21 ILE A 4 -7.622 -2.307 -0.080 1.00 0.00 H +ATOM 71 HG22 ILE A 4 -7.834 -2.127 1.670 1.00 0.00 H +ATOM 72 HG23 ILE A 4 -9.101 -1.579 0.552 1.00 0.00 H +ATOM 73 HD11 ILE A 4 -8.525 -0.550 3.300 1.00 0.00 H +ATOM 74 HD12 ILE A 4 -6.959 0.295 3.382 1.00 0.00 H +ATOM 75 HD13 ILE A 4 -8.466 1.184 3.656 1.00 0.00 H +ATOM 76 N GLN A 5 -5.052 -0.619 -1.428 1.00 0.00 N +ATOM 77 CA GLN A 5 -4.299 -1.207 -2.540 1.00 0.00 C +ATOM 78 C GLN A 5 -2.854 -1.505 -2.123 1.00 0.00 C +ATOM 79 O GLN A 5 -2.421 -2.646 -2.248 1.00 0.00 O +ATOM 80 CB GLN A 5 -4.364 -0.280 -3.767 1.00 0.00 C +ATOM 81 CG GLN A 5 -5.703 -0.407 -4.512 1.00 0.00 C +ATOM 82 CD GLN A 5 -5.997 0.832 -5.354 1.00 0.00 C +ATOM 83 OE1 GLN A 5 -6.747 1.710 -4.957 1.00 0.00 O +ATOM 84 NE2 GLN A 5 -5.409 0.958 -6.528 1.00 0.00 N +ATOM 85 H GLN A 5 -5.422 0.315 -1.546 1.00 0.00 H +ATOM 86 HA GLN A 5 -4.752 -2.163 -2.806 1.00 0.00 H +ATOM 87 HB2 GLN A 5 -4.243 0.735 -3.441 1.00 0.00 H +ATOM 88 HB3 GLN A 5 -3.560 -0.532 -4.460 1.00 0.00 H +ATOM 89 HG2 GLN A 5 -5.663 -1.264 -5.156 1.00 0.00 H +ATOM 90 HG3 GLN A 5 -6.516 -0.529 -3.797 1.00 0.00 H +ATOM 91 HE21 GLN A 5 -4.765 0.277 -6.894 1.00 0.00 H +ATOM 92 HE22 GLN A 5 -5.664 1.794 -7.028 1.00 0.00 H +ATOM 93 N TRP A 6 -2.139 -0.521 -1.559 1.00 0.00 N +ATOM 94 CA TRP A 6 -0.764 -0.708 -1.080 1.00 0.00 C +ATOM 95 C TRP A 6 -0.621 -1.821 -0.023 1.00 0.00 C +ATOM 96 O TRP A 6 0.282 -2.655 -0.123 1.00 0.00 O +ATOM 97 CB TRP A 6 -0.226 0.624 -0.556 1.00 0.00 C +ATOM 98 CG TRP A 6 1.177 0.552 -0.041 1.00 0.00 C +ATOM 99 CD1 TRP A 6 2.291 0.506 -0.805 1.00 0.00 C +ATOM 100 CD2 TRP A 6 1.636 0.472 1.346 1.00 0.00 C +ATOM 101 NE1 TRP A 6 3.401 0.391 0.008 1.00 0.00 N +ATOM 102 CE2 TRP A 6 3.059 0.386 1.338 1.00 0.00 C +ATOM 103 CE3 TRP A 6 1.004 0.469 2.607 1.00 0.00 C +ATOM 104 CZ2 TRP A 6 3.822 0.325 2.511 1.00 0.00 C +ATOM 105 CZ3 TRP A 6 1.758 0.393 3.795 1.00 0.00 C +ATOM 106 CH2 TRP A 6 3.163 0.337 3.750 1.00 0.00 C +ATOM 107 H TRP A 6 -2.566 0.400 -1.493 1.00 0.00 H +ATOM 108 HA TRP A 6 -0.148 -1.012 -1.929 1.00 0.00 H +ATOM 109 HB2 TRP A 6 -0.256 1.338 -1.356 1.00 0.00 H +ATOM 110 HB3 TRP A 6 -0.872 0.979 0.246 1.00 0.00 H +ATOM 111 HD1 TRP A 6 2.305 0.538 -1.888 1.00 0.00 H +ATOM 112 HE1 TRP A 6 4.371 0.349 -0.315 1.00 0.00 H +ATOM 113 HE3 TRP A 6 -0.074 0.535 2.657 1.00 0.00 H +ATOM 114 HZ2 TRP A 6 4.900 0.268 2.446 1.00 0.00 H +ATOM 115 HZ3 TRP A 6 1.258 0.397 4.753 1.00 0.00 H +ATOM 116 HH2 TRP A 6 3.733 0.301 4.667 1.00 0.00 H +ATOM 117 N LEU A 7 -1.520 -1.885 0.971 1.00 0.00 N +ATOM 118 CA LEU A 7 -1.546 -3.008 1.915 1.00 0.00 C +ATOM 119 C LEU A 7 -1.821 -4.345 1.210 1.00 0.00 C +ATOM 120 O LEU A 7 -1.199 -5.346 1.565 1.00 0.00 O +ATOM 121 CB LEU A 7 -2.568 -2.758 3.038 1.00 0.00 C +ATOM 122 CG LEU A 7 -2.110 -1.733 4.094 1.00 0.00 C +ATOM 123 CD1 LEU A 7 -3.291 -1.398 5.011 1.00 0.00 C +ATOM 124 CD2 LEU A 7 -0.966 -2.250 4.977 1.00 0.00 C +ATOM 125 H LEU A 7 -2.224 -1.155 1.053 1.00 0.00 H +ATOM 126 HA LEU A 7 -0.553 -3.100 2.352 1.00 0.00 H +ATOM 127 HB2 LEU A 7 -3.476 -2.399 2.593 1.00 0.00 H +ATOM 128 HB3 LEU A 7 -2.769 -3.700 3.549 1.00 0.00 H +ATOM 129 HG LEU A 7 -1.780 -0.823 3.598 1.00 0.00 H +ATOM 130 HD11 LEU A 7 -4.097 -0.955 4.426 1.00 0.00 H +ATOM 131 HD12 LEU A 7 -3.659 -2.303 5.495 1.00 0.00 H +ATOM 132 HD13 LEU A 7 -2.979 -0.690 5.779 1.00 0.00 H +ATOM 133 HD21 LEU A 7 -1.320 -3.059 5.617 1.00 0.00 H +ATOM 134 HD22 LEU A 7 -0.139 -2.614 4.372 1.00 0.00 H +ATOM 135 HD23 LEU A 7 -0.594 -1.440 5.602 1.00 0.00 H +ATOM 136 N LYS A 8 -2.683 -4.366 0.182 1.00 0.00 N +ATOM 137 CA LYS A 8 -3.015 -5.563 -0.608 1.00 0.00 C +ATOM 138 C LYS A 8 -1.848 -6.159 -1.409 1.00 0.00 C +ATOM 139 O LYS A 8 -1.978 -7.286 -1.891 1.00 0.00 O +ATOM 140 CB LYS A 8 -4.151 -5.246 -1.594 1.00 0.00 C +ATOM 141 CG LYS A 8 -5.168 -6.394 -1.663 1.00 0.00 C +ATOM 142 CD LYS A 8 -5.900 -6.429 -3.012 1.00 0.00 C +ATOM 143 CE LYS A 8 -5.280 -7.448 -3.983 1.00 0.00 C +ATOM 144 NZ LYS A 8 -3.846 -7.183 -4.280 1.00 0.00 N +ATOM 145 H LYS A 8 -3.170 -3.498 -0.036 1.00 0.00 H +ATOM 146 HA LYS A 8 -3.348 -6.330 0.093 1.00 0.00 H +ATOM 147 HB2 LYS A 8 -4.653 -4.353 -1.273 1.00 0.00 H +ATOM 148 HB3 LYS A 8 -3.719 -5.054 -2.577 1.00 0.00 H +ATOM 149 HG2 LYS A 8 -4.651 -7.324 -1.524 1.00 0.00 H +ATOM 150 HG3 LYS A 8 -5.894 -6.248 -0.863 1.00 0.00 H +ATOM 151 HD2 LYS A 8 -6.926 -6.694 -2.842 1.00 0.00 H +ATOM 152 HD3 LYS A 8 -5.919 -5.435 -3.463 1.00 0.00 H +ATOM 153 HE2 LYS A 8 -5.363 -8.426 -3.549 1.00 0.00 H +ATOM 154 HE3 LYS A 8 -5.865 -7.435 -4.907 1.00 0.00 H +ATOM 155 HZ1 LYS A 8 -3.724 -6.252 -4.654 1.00 0.00 H +ATOM 156 HZ2 LYS A 8 -3.274 -7.269 -3.437 1.00 0.00 H +ATOM 157 HZ3 LYS A 8 -3.500 -7.847 -4.959 1.00 0.00 H +ATOM 158 N ASP A 9 -0.761 -5.409 -1.606 1.00 0.00 N +ATOM 159 CA ASP A 9 0.518 -5.887 -2.146 1.00 0.00 C +ATOM 160 C ASP A 9 1.477 -6.413 -1.062 1.00 0.00 C +ATOM 161 O ASP A 9 2.507 -6.993 -1.402 1.00 0.00 O +ATOM 162 CB ASP A 9 1.203 -4.746 -2.916 1.00 0.00 C +ATOM 163 CG ASP A 9 0.565 -4.528 -4.288 1.00 0.00 C +ATOM 164 OD1 ASP A 9 0.935 -5.288 -5.208 1.00 0.00 O +ATOM 165 OD2 ASP A 9 -0.287 -3.621 -4.405 1.00 0.00 O +ATOM 166 H ASP A 9 -0.838 -4.424 -1.369 1.00 0.00 H +ATOM 167 HA ASP A 9 0.340 -6.709 -2.843 1.00 0.00 H +ATOM 168 HB2 ASP A 9 1.118 -3.841 -2.345 1.00 0.00 H +ATOM 169 HB3 ASP A 9 2.251 -4.998 -3.073 1.00 0.00 H +ATOM 170 N GLY A 10 1.166 -6.210 0.226 1.00 0.00 N +ATOM 171 CA GLY A 10 1.990 -6.622 1.367 1.00 0.00 C +ATOM 172 C GLY A 10 2.542 -5.464 2.208 1.00 0.00 C +ATOM 173 O GLY A 10 3.334 -5.711 3.115 1.00 0.00 O +ATOM 174 H GLY A 10 0.272 -5.773 0.437 1.00 0.00 H +ATOM 175 HA2 GLY A 10 1.386 -7.249 2.021 1.00 0.00 H +ATOM 176 HA3 GLY A 10 2.837 -7.217 1.024 1.00 0.00 H +ATOM 177 N GLY A 11 2.159 -4.210 1.925 1.00 0.00 N +ATOM 178 CA GLY A 11 2.661 -3.046 2.655 1.00 0.00 C +ATOM 179 C GLY A 11 4.200 -2.979 2.631 1.00 0.00 C +ATOM 180 O GLY A 11 4.782 -3.116 1.550 1.00 0.00 O +ATOM 181 H GLY A 11 1.535 -4.045 1.144 1.00 0.00 H +ATOM 182 HA2 GLY A 11 2.267 -2.143 2.192 1.00 0.00 H +ATOM 183 HA3 GLY A 11 2.290 -3.099 3.676 1.00 0.00 H +ATOM 184 N PRO A 12 4.884 -2.799 3.785 1.00 0.00 N +ATOM 185 CA PRO A 12 6.347 -2.733 3.841 1.00 0.00 C +ATOM 186 C PRO A 12 7.047 -3.937 3.195 1.00 0.00 C +ATOM 187 O PRO A 12 8.110 -3.775 2.595 1.00 0.00 O +ATOM 188 CB PRO A 12 6.717 -2.624 5.327 1.00 0.00 C +ATOM 189 CG PRO A 12 5.445 -2.101 5.991 1.00 0.00 C +ATOM 190 CD PRO A 12 4.334 -2.698 5.130 1.00 0.00 C +ATOM 191 HA PRO A 12 6.671 -1.826 3.329 1.00 0.00 H +ATOM 192 HB2 PRO A 12 6.987 -3.584 5.724 1.00 0.00 H +ATOM 193 HB3 PRO A 12 7.555 -1.942 5.483 1.00 0.00 H +ATOM 194 HG2 PRO A 12 5.372 -2.442 7.006 1.00 0.00 H +ATOM 195 HG3 PRO A 12 5.418 -1.013 5.926 1.00 0.00 H +ATOM 196 HD2 PRO A 12 4.059 -3.669 5.495 1.00 0.00 H +ATOM 197 HD3 PRO A 12 3.452 -2.058 5.170 1.00 0.00 H +ATOM 198 N SER A 13 6.446 -5.136 3.263 1.00 0.00 N +ATOM 199 CA SER A 13 7.011 -6.363 2.690 1.00 0.00 C +ATOM 200 C SER A 13 7.149 -6.316 1.165 1.00 0.00 C +ATOM 201 O SER A 13 7.983 -7.035 0.623 1.00 0.00 O +ATOM 202 CB SER A 13 6.153 -7.573 3.073 1.00 0.00 C +ATOM 203 OG SER A 13 6.053 -7.692 4.480 1.00 0.00 O +ATOM 204 H SER A 13 5.546 -5.219 3.725 1.00 0.00 H +ATOM 205 HA SER A 13 8.010 -6.507 3.102 1.00 0.00 H +ATOM 206 HB2 SER A 13 5.170 -7.453 2.659 1.00 0.00 H +ATOM 207 HB3 SER A 13 6.605 -8.481 2.668 1.00 0.00 H +ATOM 208 HG SER A 13 6.911 -7.936 4.835 1.00 0.00 H +ATOM 209 N SER A 14 6.381 -5.460 0.473 1.00 0.00 N +ATOM 210 CA SER A 14 6.506 -5.250 -0.977 1.00 0.00 C +ATOM 211 C SER A 14 7.628 -4.264 -1.351 1.00 0.00 C +ATOM 212 O SER A 14 7.865 -4.012 -2.530 1.00 0.00 O +ATOM 213 CB SER A 14 5.167 -4.770 -1.558 1.00 0.00 C +ATOM 214 OG SER A 14 4.894 -5.465 -2.757 1.00 0.00 O +ATOM 215 H SER A 14 5.734 -4.866 0.986 1.00 0.00 H +ATOM 216 HA SER A 14 6.748 -6.210 -1.440 1.00 0.00 H +ATOM 217 HB2 SER A 14 4.383 -4.958 -0.850 1.00 0.00 H +ATOM 218 HB3 SER A 14 5.209 -3.700 -1.766 1.00 0.00 H +ATOM 219 HG SER A 14 3.943 -5.622 -2.814 1.00 0.00 H +ATOM 220 N GLY A 15 8.305 -3.650 -0.369 1.00 0.00 N +ATOM 221 CA GLY A 15 9.425 -2.723 -0.566 1.00 0.00 C +ATOM 222 C GLY A 15 9.041 -1.328 -1.080 1.00 0.00 C +ATOM 223 O GLY A 15 9.718 -0.356 -0.750 1.00 0.00 O +ATOM 224 H GLY A 15 8.061 -3.868 0.595 1.00 0.00 H +ATOM 225 HA2 GLY A 15 9.946 -2.602 0.385 1.00 0.00 H +ATOM 226 HA3 GLY A 15 10.124 -3.163 -1.277 1.00 0.00 H +ATOM 227 N ARG A 16 7.963 -1.202 -1.869 1.00 0.00 N +ATOM 228 CA ARG A 16 7.437 0.089 -2.339 1.00 0.00 C +ATOM 229 C ARG A 16 6.901 0.917 -1.155 1.00 0.00 C +ATOM 230 O ARG A 16 6.143 0.369 -0.352 1.00 0.00 O +ATOM 231 CB ARG A 16 6.345 -0.153 -3.399 1.00 0.00 C +ATOM 232 CG ARG A 16 6.052 1.130 -4.193 1.00 0.00 C +ATOM 233 CD ARG A 16 5.045 0.908 -5.333 1.00 0.00 C +ATOM 234 NE ARG A 16 5.431 1.681 -6.532 1.00 0.00 N +ATOM 235 CZ ARG A 16 5.978 1.218 -7.653 1.00 0.00 C +ATOM 236 NH1 ARG A 16 6.157 -0.064 -7.871 1.00 0.00 N +ATOM 237 NH2 ARG A 16 6.370 2.053 -8.588 1.00 0.00 N +ATOM 238 H ARG A 16 7.514 -2.068 -2.147 1.00 0.00 H +ATOM 239 HA ARG A 16 8.272 0.615 -2.801 1.00 0.00 H +ATOM 240 HB2 ARG A 16 6.677 -0.916 -4.076 1.00 0.00 H +ATOM 241 HB3 ARG A 16 5.432 -0.513 -2.923 1.00 0.00 H +ATOM 242 HG2 ARG A 16 5.653 1.865 -3.521 1.00 0.00 H +ATOM 243 HG3 ARG A 16 6.992 1.485 -4.616 1.00 0.00 H +ATOM 244 HD2 ARG A 16 5.018 -0.136 -5.581 1.00 0.00 H +ATOM 245 HD3 ARG A 16 4.058 1.230 -4.997 1.00 0.00 H +ATOM 246 HE ARG A 16 5.320 2.679 -6.467 1.00 0.00 H +ATOM 247 HH11 ARG A 16 5.847 -0.713 -7.171 1.00 0.00 H +ATOM 248 HH12 ARG A 16 6.562 -0.400 -8.725 1.00 0.00 H +ATOM 249 HH21 ARG A 16 6.273 3.046 -8.463 1.00 0.00 H +ATOM 250 HH22 ARG A 16 6.787 1.699 -9.428 1.00 0.00 H +ATOM 251 N PRO A 17 7.223 2.224 -1.040 1.00 0.00 N +ATOM 252 CA PRO A 17 6.725 3.069 0.048 1.00 0.00 C +ATOM 253 C PRO A 17 5.198 3.267 -0.012 1.00 0.00 C +ATOM 254 O PRO A 17 4.600 3.082 -1.075 1.00 0.00 O +ATOM 255 CB PRO A 17 7.472 4.402 -0.100 1.00 0.00 C +ATOM 256 CG PRO A 17 7.803 4.461 -1.589 1.00 0.00 C +ATOM 257 CD PRO A 17 8.084 2.999 -1.923 1.00 0.00 C +ATOM 258 HA PRO A 17 6.988 2.611 1.003 1.00 0.00 H +ATOM 259 HB2 PRO A 17 6.847 5.226 0.187 1.00 0.00 H +ATOM 260 HB3 PRO A 17 8.397 4.366 0.477 1.00 0.00 H +ATOM 261 HG2 PRO A 17 6.973 4.836 -2.156 1.00 0.00 H +ATOM 262 HG3 PRO A 17 8.662 5.098 -1.791 1.00 0.00 H +ATOM 263 HD2 PRO A 17 7.847 2.797 -2.950 1.00 0.00 H +ATOM 264 HD3 PRO A 17 9.128 2.763 -1.708 1.00 0.00 H +ATOM 265 N PRO A 18 4.558 3.663 1.109 1.00 0.00 N +ATOM 266 CA PRO A 18 3.118 3.895 1.157 1.00 0.00 C +ATOM 267 C PRO A 18 2.704 5.139 0.350 1.00 0.00 C +ATOM 268 O PRO A 18 3.494 6.075 0.206 1.00 0.00 O +ATOM 269 CB PRO A 18 2.775 4.055 2.641 1.00 0.00 C +ATOM 270 CG PRO A 18 4.071 4.582 3.251 1.00 0.00 C +ATOM 271 CD PRO A 18 5.151 3.896 2.419 1.00 0.00 C +ATOM 272 HA PRO A 18 2.608 3.020 0.760 1.00 0.00 H +ATOM 273 HB2 PRO A 18 1.974 4.756 2.776 1.00 0.00 H +ATOM 274 HB3 PRO A 18 2.543 3.080 3.070 1.00 0.00 H +ATOM 275 HG2 PRO A 18 4.134 5.649 3.159 1.00 0.00 H +ATOM 276 HG3 PRO A 18 4.154 4.332 4.308 1.00 0.00 H +ATOM 277 HD2 PRO A 18 6.013 4.529 2.331 1.00 0.00 H +ATOM 278 HD3 PRO A 18 5.412 2.939 2.872 1.00 0.00 H +ATOM 279 N PRO A 19 1.454 5.184 -0.142 1.00 0.00 N +ATOM 280 CA PRO A 19 0.910 6.335 -0.849 1.00 0.00 C +ATOM 281 C PRO A 19 0.561 7.461 0.136 1.00 0.00 C +ATOM 282 O PRO A 19 -0.109 7.228 1.144 1.00 0.00 O +ATOM 283 CB PRO A 19 -0.325 5.804 -1.578 1.00 0.00 C +ATOM 284 CG PRO A 19 -0.816 4.675 -0.671 1.00 0.00 C +ATOM 285 CD PRO A 19 0.464 4.121 -0.057 1.00 0.00 C +ATOM 286 HA PRO A 19 1.631 6.703 -1.581 1.00 0.00 H +ATOM 287 HB2 PRO A 19 -1.071 6.569 -1.676 1.00 0.00 H +ATOM 288 HB3 PRO A 19 -0.024 5.388 -2.541 1.00 0.00 H +ATOM 289 HG2 PRO A 19 -1.472 5.053 0.089 1.00 0.00 H +ATOM 290 HG3 PRO A 19 -1.335 3.905 -1.236 1.00 0.00 H +ATOM 291 HD2 PRO A 19 0.297 3.850 0.968 1.00 0.00 H +ATOM 292 HD3 PRO A 19 0.811 3.272 -0.645 1.00 0.00 H +ATOM 293 N SER A 20 1.026 8.673 -0.178 1.00 0.00 N +ATOM 294 CA SER A 20 0.698 9.933 0.494 1.00 0.00 C +ATOM 295 C SER A 20 -0.638 10.528 0.034 1.00 0.00 C +ATOM 296 O SER A 20 -1.052 10.270 -1.120 1.00 0.00 O +ATOM 297 CB SER A 20 1.845 10.928 0.290 1.00 0.00 C +ATOM 298 OG SER A 20 2.324 10.900 -1.046 1.00 0.00 O +ATOM 299 OXT SER A 20 -1.231 11.239 0.875 1.00 0.00 O +ATOM 300 H SER A 20 1.554 8.807 -1.028 1.00 0.00 H +ATOM 301 HA SER A 20 0.586 9.752 1.561 1.00 0.00 H +ATOM 302 HB2 SER A 20 1.493 11.917 0.514 1.00 0.00 H +ATOM 303 HB3 SER A 20 2.664 10.654 0.959 1.00 0.00 H +ATOM 304 HG SER A 20 2.939 11.625 -1.177 1.00 0.00 H +TER 305 SER A 20 +ENDMDL +MODEL 37 +ATOM 1 N ASN A 1 -5.798 7.479 0.401 1.00 0.00 N +ATOM 2 CA ASN A 1 -6.588 7.022 -0.767 1.00 0.00 C +ATOM 3 C ASN A 1 -6.199 5.613 -1.207 1.00 0.00 C +ATOM 4 O ASN A 1 -7.021 4.713 -1.096 1.00 0.00 O +ATOM 5 CB ASN A 1 -6.557 8.030 -1.932 1.00 0.00 C +ATOM 6 CG ASN A 1 -7.956 8.586 -2.147 1.00 0.00 C +ATOM 7 OD1 ASN A 1 -8.343 9.541 -1.498 1.00 0.00 O +ATOM 8 ND2 ASN A 1 -8.767 7.973 -2.991 1.00 0.00 N +ATOM 9 H1 ASN A 1 -5.816 6.777 1.127 1.00 0.00 H +ATOM 10 H2 ASN A 1 -4.838 7.655 0.131 1.00 0.00 H +ATOM 11 H3 ASN A 1 -6.193 8.335 0.767 1.00 0.00 H +ATOM 12 HA ASN A 1 -7.627 6.938 -0.443 1.00 0.00 H +ATOM 13 HB2 ASN A 1 -5.884 8.832 -1.696 1.00 0.00 H +ATOM 14 HB3 ASN A 1 -6.214 7.562 -2.856 1.00 0.00 H +ATOM 15 HD21 ASN A 1 -8.509 7.171 -3.541 1.00 0.00 H +ATOM 16 HD22 ASN A 1 -9.676 8.400 -3.071 1.00 0.00 H +ATOM 17 N LEU A 2 -4.963 5.401 -1.676 1.00 0.00 N +ATOM 18 CA LEU A 2 -4.527 4.127 -2.262 1.00 0.00 C +ATOM 19 C LEU A 2 -4.002 3.108 -1.223 1.00 0.00 C +ATOM 20 O LEU A 2 -3.490 2.051 -1.588 1.00 0.00 O +ATOM 21 CB LEU A 2 -3.515 4.448 -3.386 1.00 0.00 C +ATOM 22 CG LEU A 2 -3.518 3.386 -4.508 1.00 0.00 C +ATOM 23 CD1 LEU A 2 -3.924 3.985 -5.857 1.00 0.00 C +ATOM 24 CD2 LEU A 2 -2.165 2.687 -4.652 1.00 0.00 C +ATOM 25 H LEU A 2 -4.310 6.167 -1.771 1.00 0.00 H +ATOM 26 HA LEU A 2 -5.403 3.668 -2.726 1.00 0.00 H +ATOM 27 HB2 LEU A 2 -3.766 5.400 -3.813 1.00 0.00 H +ATOM 28 HB3 LEU A 2 -2.516 4.554 -2.964 1.00 0.00 H +ATOM 29 HG LEU A 2 -4.262 2.639 -4.267 1.00 0.00 H +ATOM 30 HD11 LEU A 2 -4.932 4.396 -5.784 1.00 0.00 H +ATOM 31 HD12 LEU A 2 -3.228 4.767 -6.155 1.00 0.00 H +ATOM 32 HD13 LEU A 2 -3.936 3.199 -6.614 1.00 0.00 H +ATOM 33 HD21 LEU A 2 -1.412 3.394 -5.001 1.00 0.00 H +ATOM 34 HD22 LEU A 2 -1.857 2.272 -3.692 1.00 0.00 H +ATOM 35 HD23 LEU A 2 -2.253 1.872 -5.370 1.00 0.00 H +ATOM 36 N TYR A 3 -4.143 3.405 0.077 1.00 0.00 N +ATOM 37 CA TYR A 3 -3.594 2.622 1.192 1.00 0.00 C +ATOM 38 C TYR A 3 -4.041 1.158 1.165 1.00 0.00 C +ATOM 39 O TYR A 3 -3.239 0.261 1.408 1.00 0.00 O +ATOM 40 CB TYR A 3 -3.976 3.276 2.532 1.00 0.00 C +ATOM 41 CG TYR A 3 -2.857 3.224 3.553 1.00 0.00 C +ATOM 42 CD1 TYR A 3 -2.508 2.017 4.182 1.00 0.00 C +ATOM 43 CD2 TYR A 3 -2.132 4.392 3.837 1.00 0.00 C +ATOM 44 CE1 TYR A 3 -1.412 1.972 5.068 1.00 0.00 C +ATOM 45 CE2 TYR A 3 -1.039 4.360 4.722 1.00 0.00 C +ATOM 46 CZ TYR A 3 -0.662 3.140 5.323 1.00 0.00 C +ATOM 47 OH TYR A 3 0.439 3.086 6.118 1.00 0.00 O +ATOM 48 H TYR A 3 -4.628 4.258 0.296 1.00 0.00 H +ATOM 49 HA TYR A 3 -2.507 2.635 1.105 1.00 0.00 H +ATOM 50 HB2 TYR A 3 -4.228 4.303 2.352 1.00 0.00 H +ATOM 51 HB3 TYR A 3 -4.863 2.793 2.949 1.00 0.00 H +ATOM 52 HD1 TYR A 3 -3.069 1.122 3.968 1.00 0.00 H +ATOM 53 HD2 TYR A 3 -2.417 5.309 3.354 1.00 0.00 H +ATOM 54 HE1 TYR A 3 -1.123 1.050 5.550 1.00 0.00 H +ATOM 55 HE2 TYR A 3 -0.485 5.260 4.942 1.00 0.00 H +ATOM 56 HH TYR A 3 0.954 3.895 6.046 1.00 0.00 H +ATOM 57 N ILE A 4 -5.313 0.913 0.819 1.00 0.00 N +ATOM 58 CA ILE A 4 -5.875 -0.433 0.687 1.00 0.00 C +ATOM 59 C ILE A 4 -5.150 -1.213 -0.419 1.00 0.00 C +ATOM 60 O ILE A 4 -4.782 -2.367 -0.218 1.00 0.00 O +ATOM 61 CB ILE A 4 -7.404 -0.376 0.441 1.00 0.00 C +ATOM 62 CG1 ILE A 4 -8.133 0.538 1.461 1.00 0.00 C +ATOM 63 CG2 ILE A 4 -7.996 -1.794 0.489 1.00 0.00 C +ATOM 64 CD1 ILE A 4 -8.579 1.867 0.834 1.00 0.00 C +ATOM 65 H ILE A 4 -5.909 1.712 0.664 1.00 0.00 H +ATOM 66 HA ILE A 4 -5.703 -0.963 1.625 1.00 0.00 H +ATOM 67 HB ILE A 4 -7.582 0.014 -0.564 1.00 0.00 H +ATOM 68 HG12 ILE A 4 -8.999 0.022 1.830 1.00 0.00 H +ATOM 69 HG13 ILE A 4 -7.484 0.744 2.314 1.00 0.00 H +ATOM 70 HG21 ILE A 4 -7.610 -2.395 -0.333 1.00 0.00 H +ATOM 71 HG22 ILE A 4 -7.734 -2.278 1.431 1.00 0.00 H +ATOM 72 HG23 ILE A 4 -9.082 -1.752 0.406 1.00 0.00 H +ATOM 73 HD11 ILE A 4 -7.781 2.293 0.225 1.00 0.00 H +ATOM 74 HD12 ILE A 4 -9.456 1.698 0.209 1.00 0.00 H +ATOM 75 HD13 ILE A 4 -8.839 2.575 1.623 1.00 0.00 H +ATOM 76 N GLN A 5 -4.916 -0.587 -1.582 1.00 0.00 N +ATOM 77 CA GLN A 5 -4.177 -1.207 -2.684 1.00 0.00 C +ATOM 78 C GLN A 5 -2.695 -1.416 -2.351 1.00 0.00 C +ATOM 79 O GLN A 5 -2.131 -2.431 -2.746 1.00 0.00 O +ATOM 80 CB GLN A 5 -4.323 -0.379 -3.966 1.00 0.00 C +ATOM 81 CG GLN A 5 -5.742 -0.393 -4.567 1.00 0.00 C +ATOM 82 CD GLN A 5 -6.425 0.974 -4.548 1.00 0.00 C +ATOM 83 OE1 GLN A 5 -6.408 1.714 -5.514 1.00 0.00 O +ATOM 84 NE2 GLN A 5 -7.071 1.361 -3.464 1.00 0.00 N +ATOM 85 H GLN A 5 -5.081 0.408 -1.625 1.00 0.00 H +ATOM 86 HA GLN A 5 -4.585 -2.193 -2.872 1.00 0.00 H +ATOM 87 HB2 GLN A 5 -4.062 0.637 -3.742 1.00 0.00 H +ATOM 88 HB3 GLN A 5 -3.636 -0.777 -4.715 1.00 0.00 H +ATOM 89 HG2 GLN A 5 -5.677 -0.726 -5.585 1.00 0.00 H +ATOM 90 HG3 GLN A 5 -6.369 -1.116 -4.046 1.00 0.00 H +ATOM 91 HE21 GLN A 5 -7.192 0.797 -2.646 1.00 0.00 H +ATOM 92 HE22 GLN A 5 -7.525 2.252 -3.586 1.00 0.00 H +ATOM 93 N TRP A 6 -2.077 -0.504 -1.595 1.00 0.00 N +ATOM 94 CA TRP A 6 -0.720 -0.701 -1.084 1.00 0.00 C +ATOM 95 C TRP A 6 -0.636 -1.874 -0.089 1.00 0.00 C +ATOM 96 O TRP A 6 0.249 -2.721 -0.206 1.00 0.00 O +ATOM 97 CB TRP A 6 -0.212 0.612 -0.482 1.00 0.00 C +ATOM 98 CG TRP A 6 1.182 0.533 0.054 1.00 0.00 C +ATOM 99 CD1 TRP A 6 2.314 0.521 -0.685 1.00 0.00 C +ATOM 100 CD2 TRP A 6 1.608 0.404 1.443 1.00 0.00 C +ATOM 101 NE1 TRP A 6 3.408 0.380 0.147 1.00 0.00 N +ATOM 102 CE2 TRP A 6 3.031 0.317 1.470 1.00 0.00 C +ATOM 103 CE3 TRP A 6 0.937 0.364 2.685 1.00 0.00 C +ATOM 104 CZ2 TRP A 6 3.755 0.214 2.665 1.00 0.00 C +ATOM 105 CZ3 TRP A 6 1.654 0.247 3.892 1.00 0.00 C +ATOM 106 CH2 TRP A 6 3.057 0.179 3.883 1.00 0.00 C +ATOM 107 H TRP A 6 -2.581 0.349 -1.361 1.00 0.00 H +ATOM 108 HA TRP A 6 -0.070 -0.958 -1.922 1.00 0.00 H +ATOM 109 HB2 TRP A 6 -0.239 1.366 -1.245 1.00 0.00 H +ATOM 110 HB3 TRP A 6 -0.876 0.919 0.324 1.00 0.00 H +ATOM 111 HD1 TRP A 6 2.354 0.591 -1.764 1.00 0.00 H +ATOM 112 HE1 TRP A 6 4.380 0.346 -0.171 1.00 0.00 H +ATOM 113 HE3 TRP A 6 -0.140 0.441 2.699 1.00 0.00 H +ATOM 114 HZ2 TRP A 6 4.832 0.162 2.632 1.00 0.00 H +ATOM 115 HZ3 TRP A 6 1.123 0.229 4.833 1.00 0.00 H +ATOM 116 HH2 TRP A 6 3.599 0.110 4.815 1.00 0.00 H +ATOM 117 N LEU A 7 -1.578 -1.972 0.862 1.00 0.00 N +ATOM 118 CA LEU A 7 -1.635 -3.091 1.807 1.00 0.00 C +ATOM 119 C LEU A 7 -1.938 -4.442 1.140 1.00 0.00 C +ATOM 120 O LEU A 7 -1.409 -5.445 1.613 1.00 0.00 O +ATOM 121 CB LEU A 7 -2.649 -2.806 2.929 1.00 0.00 C +ATOM 122 CG LEU A 7 -2.162 -1.784 3.974 1.00 0.00 C +ATOM 123 CD1 LEU A 7 -3.325 -1.421 4.903 1.00 0.00 C +ATOM 124 CD2 LEU A 7 -1.020 -2.318 4.848 1.00 0.00 C +ATOM 125 H LEU A 7 -2.263 -1.224 0.945 1.00 0.00 H +ATOM 126 HA LEU A 7 -0.647 -3.201 2.250 1.00 0.00 H +ATOM 127 HB2 LEU A 7 -3.548 -2.428 2.482 1.00 0.00 H +ATOM 128 HB3 LEU A 7 -2.870 -3.739 3.450 1.00 0.00 H +ATOM 129 HG LEU A 7 -1.826 -0.882 3.469 1.00 0.00 H +ATOM 130 HD11 LEU A 7 -4.144 -0.999 4.320 1.00 0.00 H +ATOM 131 HD12 LEU A 7 -3.677 -2.310 5.426 1.00 0.00 H +ATOM 132 HD13 LEU A 7 -2.996 -0.686 5.638 1.00 0.00 H +ATOM 133 HD21 LEU A 7 -1.350 -3.197 5.402 1.00 0.00 H +ATOM 134 HD22 LEU A 7 -0.162 -2.584 4.235 1.00 0.00 H +ATOM 135 HD23 LEU A 7 -0.705 -1.549 5.553 1.00 0.00 H +ATOM 136 N LYS A 8 -2.727 -4.482 0.050 1.00 0.00 N +ATOM 137 CA LYS A 8 -3.029 -5.712 -0.710 1.00 0.00 C +ATOM 138 C LYS A 8 -1.781 -6.486 -1.146 1.00 0.00 C +ATOM 139 O LYS A 8 -1.824 -7.713 -1.157 1.00 0.00 O +ATOM 140 CB LYS A 8 -3.877 -5.403 -1.959 1.00 0.00 C +ATOM 141 CG LYS A 8 -5.382 -5.303 -1.680 1.00 0.00 C +ATOM 142 CD LYS A 8 -6.121 -4.820 -2.936 1.00 0.00 C +ATOM 143 CE LYS A 8 -7.604 -4.569 -2.640 1.00 0.00 C +ATOM 144 NZ LYS A 8 -8.094 -3.337 -3.303 1.00 0.00 N +ATOM 145 H LYS A 8 -3.183 -3.613 -0.220 1.00 0.00 H +ATOM 146 HA LYS A 8 -3.587 -6.394 -0.066 1.00 0.00 H +ATOM 147 HB2 LYS A 8 -3.547 -4.468 -2.369 1.00 0.00 H +ATOM 148 HB3 LYS A 8 -3.735 -6.199 -2.691 1.00 0.00 H +ATOM 149 HG2 LYS A 8 -5.755 -6.268 -1.398 1.00 0.00 H +ATOM 150 HG3 LYS A 8 -5.561 -4.609 -0.862 1.00 0.00 H +ATOM 151 HD2 LYS A 8 -5.672 -3.907 -3.278 1.00 0.00 H +ATOM 152 HD3 LYS A 8 -6.030 -5.569 -3.726 1.00 0.00 H +ATOM 153 HE2 LYS A 8 -8.176 -5.405 -2.994 1.00 0.00 H +ATOM 154 HE3 LYS A 8 -7.739 -4.483 -1.558 1.00 0.00 H +ATOM 155 HZ1 LYS A 8 -7.671 -2.528 -2.870 1.00 0.00 H +ATOM 156 HZ2 LYS A 8 -7.852 -3.348 -4.286 1.00 0.00 H +ATOM 157 HZ3 LYS A 8 -9.100 -3.265 -3.217 1.00 0.00 H +ATOM 158 N ASP A 9 -0.706 -5.789 -1.524 1.00 0.00 N +ATOM 159 CA ASP A 9 0.553 -6.406 -1.949 1.00 0.00 C +ATOM 160 C ASP A 9 1.294 -7.047 -0.758 1.00 0.00 C +ATOM 161 O ASP A 9 1.606 -8.237 -0.786 1.00 0.00 O +ATOM 162 CB ASP A 9 1.394 -5.344 -2.675 1.00 0.00 C +ATOM 163 CG ASP A 9 2.486 -5.969 -3.549 1.00 0.00 C +ATOM 164 OD1 ASP A 9 3.523 -6.378 -2.986 1.00 0.00 O +ATOM 165 OD2 ASP A 9 2.263 -6.015 -4.778 1.00 0.00 O +ATOM 166 H ASP A 9 -0.768 -4.780 -1.507 1.00 0.00 H +ATOM 167 HA ASP A 9 0.326 -7.201 -2.662 1.00 0.00 H +ATOM 168 HB2 ASP A 9 0.747 -4.757 -3.298 1.00 0.00 H +ATOM 169 HB3 ASP A 9 1.836 -4.661 -1.952 1.00 0.00 H +ATOM 170 N GLY A 10 1.509 -6.275 0.317 1.00 0.00 N +ATOM 171 CA GLY A 10 2.156 -6.749 1.545 1.00 0.00 C +ATOM 172 C GLY A 10 2.683 -5.650 2.474 1.00 0.00 C +ATOM 173 O GLY A 10 3.675 -5.864 3.179 1.00 0.00 O +ATOM 174 H GLY A 10 1.256 -5.305 0.206 1.00 0.00 H +ATOM 175 HA2 GLY A 10 1.435 -7.344 2.107 1.00 0.00 H +ATOM 176 HA3 GLY A 10 2.991 -7.399 1.279 1.00 0.00 H +ATOM 177 N GLY A 11 2.059 -4.463 2.477 1.00 0.00 N +ATOM 178 CA GLY A 11 2.499 -3.312 3.269 1.00 0.00 C +ATOM 179 C GLY A 11 3.991 -2.994 3.056 1.00 0.00 C +ATOM 180 O GLY A 11 4.434 -2.979 1.903 1.00 0.00 O +ATOM 181 H GLY A 11 1.253 -4.352 1.879 1.00 0.00 H +ATOM 182 HA2 GLY A 11 1.923 -2.437 2.974 1.00 0.00 H +ATOM 183 HA3 GLY A 11 2.296 -3.527 4.316 1.00 0.00 H +ATOM 184 N PRO A 12 4.793 -2.762 4.118 1.00 0.00 N +ATOM 185 CA PRO A 12 6.229 -2.487 3.995 1.00 0.00 C +ATOM 186 C PRO A 12 7.028 -3.585 3.274 1.00 0.00 C +ATOM 187 O PRO A 12 8.076 -3.294 2.700 1.00 0.00 O +ATOM 188 CB PRO A 12 6.752 -2.306 5.426 1.00 0.00 C +ATOM 189 CG PRO A 12 5.507 -2.017 6.260 1.00 0.00 C +ATOM 190 CD PRO A 12 4.401 -2.765 5.520 1.00 0.00 C +ATOM 191 HA PRO A 12 6.358 -1.552 3.450 1.00 0.00 H +ATOM 192 HB2 PRO A 12 7.237 -3.200 5.768 1.00 0.00 H +ATOM 193 HB3 PRO A 12 7.469 -1.487 5.487 1.00 0.00 H +ATOM 194 HG2 PRO A 12 5.620 -2.390 7.260 1.00 0.00 H +ATOM 195 HG3 PRO A 12 5.297 -0.947 6.247 1.00 0.00 H +ATOM 196 HD2 PRO A 12 4.322 -3.771 5.884 1.00 0.00 H +ATOM 197 HD3 PRO A 12 3.446 -2.266 5.679 1.00 0.00 H +ATOM 198 N SER A 13 6.542 -4.835 3.272 1.00 0.00 N +ATOM 199 CA SER A 13 7.225 -5.960 2.613 1.00 0.00 C +ATOM 200 C SER A 13 7.090 -5.923 1.084 1.00 0.00 C +ATOM 201 O SER A 13 7.812 -6.639 0.397 1.00 0.00 O +ATOM 202 CB SER A 13 6.715 -7.304 3.143 1.00 0.00 C +ATOM 203 OG SER A 13 6.868 -7.384 4.548 1.00 0.00 O +ATOM 204 H SER A 13 5.615 -5.000 3.652 1.00 0.00 H +ATOM 205 HA SER A 13 8.289 -5.899 2.846 1.00 0.00 H +ATOM 206 HB2 SER A 13 5.676 -7.407 2.896 1.00 0.00 H +ATOM 207 HB3 SER A 13 7.295 -8.107 2.686 1.00 0.00 H +ATOM 208 HG SER A 13 6.175 -6.863 4.961 1.00 0.00 H +ATOM 209 N SER A 14 6.215 -5.060 0.547 1.00 0.00 N +ATOM 210 CA SER A 14 5.985 -4.853 -0.893 1.00 0.00 C +ATOM 211 C SER A 14 7.162 -4.169 -1.609 1.00 0.00 C +ATOM 212 O SER A 14 7.144 -4.019 -2.829 1.00 0.00 O +ATOM 213 CB SER A 14 4.753 -3.963 -1.131 1.00 0.00 C +ATOM 214 OG SER A 14 3.717 -4.170 -0.195 1.00 0.00 O +ATOM 215 H SER A 14 5.645 -4.521 1.187 1.00 0.00 H +ATOM 216 HA SER A 14 5.802 -5.822 -1.361 1.00 0.00 H +ATOM 217 HB2 SER A 14 5.060 -2.936 -1.075 1.00 0.00 H +ATOM 218 HB3 SER A 14 4.378 -4.145 -2.137 1.00 0.00 H +ATOM 219 HG SER A 14 3.940 -3.652 0.618 1.00 0.00 H +ATOM 220 N GLY A 15 8.149 -3.648 -0.867 1.00 0.00 N +ATOM 221 CA GLY A 15 9.308 -2.922 -1.397 1.00 0.00 C +ATOM 222 C GLY A 15 9.025 -1.456 -1.756 1.00 0.00 C +ATOM 223 O GLY A 15 9.889 -0.604 -1.556 1.00 0.00 O +ATOM 224 H GLY A 15 8.079 -3.767 0.134 1.00 0.00 H +ATOM 225 HA2 GLY A 15 10.105 -2.947 -0.656 1.00 0.00 H +ATOM 226 HA3 GLY A 15 9.666 -3.429 -2.292 1.00 0.00 H +ATOM 227 N ARG A 16 7.825 -1.141 -2.266 1.00 0.00 N +ATOM 228 CA ARG A 16 7.373 0.232 -2.551 1.00 0.00 C +ATOM 229 C ARG A 16 6.899 0.948 -1.262 1.00 0.00 C +ATOM 230 O ARG A 16 6.146 0.343 -0.492 1.00 0.00 O +ATOM 231 CB ARG A 16 6.251 0.175 -3.606 1.00 0.00 C +ATOM 232 CG ARG A 16 5.730 1.567 -4.005 1.00 0.00 C +ATOM 233 CD ARG A 16 4.469 1.519 -4.875 1.00 0.00 C +ATOM 234 NE ARG A 16 4.763 1.758 -6.300 1.00 0.00 N +ATOM 235 CZ ARG A 16 3.916 2.227 -7.208 1.00 0.00 C +ATOM 236 NH1 ARG A 16 2.658 2.472 -6.918 1.00 0.00 N +ATOM 237 NH2 ARG A 16 4.320 2.468 -8.433 1.00 0.00 N +ATOM 238 H ARG A 16 7.201 -1.921 -2.440 1.00 0.00 H +ATOM 239 HA ARG A 16 8.223 0.770 -2.970 1.00 0.00 H +ATOM 240 HB2 ARG A 16 6.631 -0.312 -4.483 1.00 0.00 H +ATOM 241 HB3 ARG A 16 5.424 -0.414 -3.204 1.00 0.00 H +ATOM 242 HG2 ARG A 16 5.505 2.115 -3.110 1.00 0.00 H +ATOM 243 HG3 ARG A 16 6.516 2.126 -4.513 1.00 0.00 H +ATOM 244 HD2 ARG A 16 4.016 0.551 -4.774 1.00 0.00 H +ATOM 245 HD3 ARG A 16 3.800 2.303 -4.511 1.00 0.00 H +ATOM 246 HE ARG A 16 5.706 1.581 -6.603 1.00 0.00 H +ATOM 247 HH11 ARG A 16 2.347 2.274 -5.983 1.00 0.00 H +ATOM 248 HH12 ARG A 16 2.019 2.829 -7.604 1.00 0.00 H +ATOM 249 HH21 ARG A 16 5.274 2.298 -8.697 1.00 0.00 H +ATOM 250 HH22 ARG A 16 3.671 2.823 -9.112 1.00 0.00 H +ATOM 251 N PRO A 17 7.238 2.239 -1.049 1.00 0.00 N +ATOM 252 CA PRO A 17 6.752 3.031 0.091 1.00 0.00 C +ATOM 253 C PRO A 17 5.220 3.248 0.078 1.00 0.00 C +ATOM 254 O PRO A 17 4.591 3.120 -0.974 1.00 0.00 O +ATOM 255 CB PRO A 17 7.502 4.368 0.005 1.00 0.00 C +ATOM 256 CG PRO A 17 7.850 4.499 -1.475 1.00 0.00 C +ATOM 257 CD PRO A 17 8.119 3.053 -1.878 1.00 0.00 C +ATOM 258 HA PRO A 17 7.029 2.523 1.014 1.00 0.00 H +ATOM 259 HB2 PRO A 17 6.875 5.179 0.323 1.00 0.00 H +ATOM 260 HB3 PRO A 17 8.421 4.310 0.590 1.00 0.00 H +ATOM 261 HG2 PRO A 17 7.030 4.911 -2.031 1.00 0.00 H +ATOM 262 HG3 PRO A 17 8.722 5.135 -1.635 1.00 0.00 H +ATOM 263 HD2 PRO A 17 7.895 2.907 -2.917 1.00 0.00 H +ATOM 264 HD3 PRO A 17 9.157 2.796 -1.662 1.00 0.00 H +ATOM 265 N PRO A 18 4.609 3.598 1.230 1.00 0.00 N +ATOM 266 CA PRO A 18 3.169 3.836 1.328 1.00 0.00 C +ATOM 267 C PRO A 18 2.742 5.156 0.656 1.00 0.00 C +ATOM 268 O PRO A 18 3.546 6.084 0.554 1.00 0.00 O +ATOM 269 CB PRO A 18 2.862 3.850 2.829 1.00 0.00 C +ATOM 270 CG PRO A 18 4.166 4.332 3.459 1.00 0.00 C +ATOM 271 CD PRO A 18 5.241 3.765 2.532 1.00 0.00 C +ATOM 272 HA PRO A 18 2.644 3.006 0.861 1.00 0.00 H +ATOM 273 HB2 PRO A 18 2.058 4.525 3.049 1.00 0.00 H +ATOM 274 HB3 PRO A 18 2.652 2.837 3.167 1.00 0.00 H +ATOM 275 HG2 PRO A 18 4.207 5.404 3.483 1.00 0.00 H +ATOM 276 HG3 PRO A 18 4.282 3.964 4.478 1.00 0.00 H +ATOM 277 HD2 PRO A 18 6.067 4.446 2.460 1.00 0.00 H +ATOM 278 HD3 PRO A 18 5.572 2.793 2.901 1.00 0.00 H +ATOM 279 N PRO A 19 1.469 5.271 0.226 1.00 0.00 N +ATOM 280 CA PRO A 19 0.934 6.477 -0.411 1.00 0.00 C +ATOM 281 C PRO A 19 0.511 7.576 0.577 1.00 0.00 C +ATOM 282 O PRO A 19 0.337 8.718 0.154 1.00 0.00 O +ATOM 283 CB PRO A 19 -0.292 5.993 -1.191 1.00 0.00 C +ATOM 284 CG PRO A 19 -0.802 4.823 -0.346 1.00 0.00 C +ATOM 285 CD PRO A 19 0.482 4.200 0.195 1.00 0.00 C +ATOM 286 HA PRO A 19 1.665 6.898 -1.103 1.00 0.00 H +ATOM 287 HB2 PRO A 19 -1.032 6.767 -1.264 1.00 0.00 H +ATOM 288 HB3 PRO A 19 0.019 5.632 -2.172 1.00 0.00 H +ATOM 289 HG2 PRO A 19 -1.428 5.170 0.453 1.00 0.00 H +ATOM 290 HG3 PRO A 19 -1.362 4.109 -0.947 1.00 0.00 H +ATOM 291 HD2 PRO A 19 0.321 3.813 1.183 1.00 0.00 H +ATOM 292 HD3 PRO A 19 0.825 3.424 -0.490 1.00 0.00 H +ATOM 293 N SER A 20 0.305 7.237 1.858 1.00 0.00 N +ATOM 294 CA SER A 20 -0.121 8.153 2.922 1.00 0.00 C +ATOM 295 C SER A 20 0.633 7.935 4.225 1.00 0.00 C +ATOM 296 O SER A 20 1.271 6.865 4.365 1.00 0.00 O +ATOM 297 CB SER A 20 -1.606 7.996 3.229 1.00 0.00 C +ATOM 298 OG SER A 20 -1.979 9.152 3.934 1.00 0.00 O +ATOM 299 OXT SER A 20 0.418 8.818 5.086 1.00 0.00 O +ATOM 300 H SER A 20 0.556 6.306 2.160 1.00 0.00 H +ATOM 301 HA SER A 20 0.065 9.179 2.607 1.00 0.00 H +ATOM 302 HB2 SER A 20 -2.169 7.916 2.319 1.00 0.00 H +ATOM 303 HB3 SER A 20 -1.742 7.145 3.893 1.00 0.00 H +ATOM 304 HG SER A 20 -1.222 9.307 4.547 1.00 0.00 H +TER 305 SER A 20 +ENDMDL +MODEL 38 +ATOM 1 N ASN A 1 -6.430 7.268 -0.166 1.00 0.00 N +ATOM 2 CA ASN A 1 -7.338 6.541 -1.083 1.00 0.00 C +ATOM 3 C ASN A 1 -6.741 5.186 -1.487 1.00 0.00 C +ATOM 4 O ASN A 1 -7.302 4.173 -1.103 1.00 0.00 O +ATOM 5 CB ASN A 1 -7.816 7.420 -2.263 1.00 0.00 C +ATOM 6 CG ASN A 1 -6.722 7.736 -3.278 1.00 0.00 C +ATOM 7 OD1 ASN A 1 -6.455 6.960 -4.175 1.00 0.00 O +ATOM 8 ND2 ASN A 1 -5.989 8.824 -3.136 1.00 0.00 N +ATOM 9 H1 ASN A 1 -6.139 6.658 0.586 1.00 0.00 H +ATOM 10 H2 ASN A 1 -5.611 7.592 -0.664 1.00 0.00 H +ATOM 11 H3 ASN A 1 -6.908 8.064 0.234 1.00 0.00 H +ATOM 12 HA ASN A 1 -8.233 6.285 -0.514 1.00 0.00 H +ATOM 13 HB2 ASN A 1 -8.609 6.904 -2.770 1.00 0.00 H +ATOM 14 HB3 ASN A 1 -8.228 8.355 -1.876 1.00 0.00 H +ATOM 15 HD21 ASN A 1 -6.187 9.584 -2.506 1.00 0.00 H +ATOM 16 HD22 ASN A 1 -5.321 8.935 -3.885 1.00 0.00 H +ATOM 17 N LEU A 2 -5.581 5.139 -2.154 1.00 0.00 N +ATOM 18 CA LEU A 2 -4.935 3.924 -2.679 1.00 0.00 C +ATOM 19 C LEU A 2 -4.238 3.028 -1.631 1.00 0.00 C +ATOM 20 O LEU A 2 -3.619 2.024 -1.985 1.00 0.00 O +ATOM 21 CB LEU A 2 -3.974 4.371 -3.806 1.00 0.00 C +ATOM 22 CG LEU A 2 -4.642 4.256 -5.191 1.00 0.00 C +ATOM 23 CD1 LEU A 2 -3.992 5.215 -6.190 1.00 0.00 C +ATOM 24 CD2 LEU A 2 -4.527 2.822 -5.718 1.00 0.00 C +ATOM 25 H LEU A 2 -5.206 6.000 -2.526 1.00 0.00 H +ATOM 26 HA LEU A 2 -5.713 3.296 -3.117 1.00 0.00 H +ATOM 27 HB2 LEU A 2 -3.690 5.392 -3.639 1.00 0.00 H +ATOM 28 HB3 LEU A 2 -3.065 3.769 -3.800 1.00 0.00 H +ATOM 29 HG LEU A 2 -5.698 4.515 -5.115 1.00 0.00 H +ATOM 30 HD11 LEU A 2 -4.204 6.242 -5.892 1.00 0.00 H +ATOM 31 HD12 LEU A 2 -2.915 5.058 -6.224 1.00 0.00 H +ATOM 32 HD13 LEU A 2 -4.414 5.054 -7.182 1.00 0.00 H +ATOM 33 HD21 LEU A 2 -3.478 2.549 -5.839 1.00 0.00 H +ATOM 34 HD22 LEU A 2 -4.998 2.131 -5.020 1.00 0.00 H +ATOM 35 HD23 LEU A 2 -5.031 2.745 -6.681 1.00 0.00 H +ATOM 36 N TYR A 3 -4.360 3.359 -0.340 1.00 0.00 N +ATOM 37 CA TYR A 3 -3.724 2.648 0.772 1.00 0.00 C +ATOM 38 C TYR A 3 -4.137 1.169 0.856 1.00 0.00 C +ATOM 39 O TYR A 3 -3.317 0.329 1.227 1.00 0.00 O +ATOM 40 CB TYR A 3 -4.029 3.379 2.090 1.00 0.00 C +ATOM 41 CG TYR A 3 -2.887 3.312 3.082 1.00 0.00 C +ATOM 42 CD1 TYR A 3 -1.861 4.274 3.013 1.00 0.00 C +ATOM 43 CD2 TYR A 3 -2.830 2.295 4.054 1.00 0.00 C +ATOM 44 CE1 TYR A 3 -0.765 4.215 3.892 1.00 0.00 C +ATOM 45 CE2 TYR A 3 -1.745 2.242 4.951 1.00 0.00 C +ATOM 46 CZ TYR A 3 -0.706 3.197 4.866 1.00 0.00 C +ATOM 47 OH TYR A 3 0.351 3.124 5.717 1.00 0.00 O +ATOM 48 H TYR A 3 -4.937 4.156 -0.129 1.00 0.00 H +ATOM 49 HA TYR A 3 -2.646 2.676 0.609 1.00 0.00 H +ATOM 50 HB2 TYR A 3 -4.231 4.410 1.870 1.00 0.00 H +ATOM 51 HB3 TYR A 3 -4.934 2.967 2.541 1.00 0.00 H +ATOM 52 HD1 TYR A 3 -1.912 5.069 2.285 1.00 0.00 H +ATOM 53 HD2 TYR A 3 -3.617 1.558 4.111 1.00 0.00 H +ATOM 54 HE1 TYR A 3 0.013 4.960 3.818 1.00 0.00 H +ATOM 55 HE2 TYR A 3 -1.685 1.473 5.706 1.00 0.00 H +ATOM 56 HH TYR A 3 1.074 3.686 5.430 1.00 0.00 H +ATOM 57 N ILE A 4 -5.379 0.841 0.456 1.00 0.00 N +ATOM 58 CA ILE A 4 -5.867 -0.543 0.382 1.00 0.00 C +ATOM 59 C ILE A 4 -4.972 -1.370 -0.545 1.00 0.00 C +ATOM 60 O ILE A 4 -4.513 -2.431 -0.139 1.00 0.00 O +ATOM 61 CB ILE A 4 -7.351 -0.631 -0.056 1.00 0.00 C +ATOM 62 CG1 ILE A 4 -8.267 0.276 0.803 1.00 0.00 C +ATOM 63 CG2 ILE A 4 -7.848 -2.085 0.043 1.00 0.00 C +ATOM 64 CD1 ILE A 4 -8.626 1.595 0.106 1.00 0.00 C +ATOM 65 H ILE A 4 -5.992 1.589 0.165 1.00 0.00 H +ATOM 66 HA ILE A 4 -5.785 -0.978 1.379 1.00 0.00 H +ATOM 67 HB ILE A 4 -7.431 -0.341 -1.106 1.00 0.00 H +ATOM 68 HG12 ILE A 4 -9.174 -0.257 1.016 1.00 0.00 H +ATOM 69 HG13 ILE A 4 -7.782 0.492 1.756 1.00 0.00 H +ATOM 70 HG21 ILE A 4 -7.271 -2.734 -0.616 1.00 0.00 H +ATOM 71 HG22 ILE A 4 -7.761 -2.445 1.069 1.00 0.00 H +ATOM 72 HG23 ILE A 4 -8.892 -2.140 -0.270 1.00 0.00 H +ATOM 73 HD11 ILE A 4 -7.974 1.772 -0.749 1.00 0.00 H +ATOM 74 HD12 ILE A 4 -9.658 1.551 -0.248 1.00 0.00 H +ATOM 75 HD13 ILE A 4 -8.528 2.422 0.809 1.00 0.00 H +ATOM 76 N GLN A 5 -4.692 -0.874 -1.757 1.00 0.00 N +ATOM 77 CA GLN A 5 -3.867 -1.563 -2.751 1.00 0.00 C +ATOM 78 C GLN A 5 -2.445 -1.809 -2.222 1.00 0.00 C +ATOM 79 O GLN A 5 -1.929 -2.921 -2.330 1.00 0.00 O +ATOM 80 CB GLN A 5 -3.847 -0.743 -4.058 1.00 0.00 C +ATOM 81 CG GLN A 5 -3.727 -1.623 -5.311 1.00 0.00 C +ATOM 82 CD GLN A 5 -5.084 -2.186 -5.734 1.00 0.00 C +ATOM 83 OE1 GLN A 5 -5.698 -2.984 -5.042 1.00 0.00 O +ATOM 84 NE2 GLN A 5 -5.615 -1.776 -6.871 1.00 0.00 N +ATOM 85 H GLN A 5 -5.036 0.048 -1.986 1.00 0.00 H +ATOM 86 HA GLN A 5 -4.323 -2.535 -2.945 1.00 0.00 H +ATOM 87 HB2 GLN A 5 -4.757 -0.178 -4.122 1.00 0.00 H +ATOM 88 HB3 GLN A 5 -3.011 -0.043 -4.034 1.00 0.00 H +ATOM 89 HG2 GLN A 5 -3.329 -1.033 -6.114 1.00 0.00 H +ATOM 90 HG3 GLN A 5 -3.035 -2.447 -5.128 1.00 0.00 H +ATOM 91 HE21 GLN A 5 -5.153 -1.128 -7.485 1.00 0.00 H +ATOM 92 HE22 GLN A 5 -6.510 -2.185 -7.079 1.00 0.00 H +ATOM 93 N TRP A 6 -1.839 -0.788 -1.599 1.00 0.00 N +ATOM 94 CA TRP A 6 -0.525 -0.892 -0.956 1.00 0.00 C +ATOM 95 C TRP A 6 -0.505 -1.946 0.161 1.00 0.00 C +ATOM 96 O TRP A 6 0.383 -2.798 0.180 1.00 0.00 O +ATOM 97 CB TRP A 6 -0.095 0.486 -0.442 1.00 0.00 C +ATOM 98 CG TRP A 6 1.244 0.517 0.231 1.00 0.00 C +ATOM 99 CD1 TRP A 6 2.442 0.440 -0.391 1.00 0.00 C +ATOM 100 CD2 TRP A 6 1.543 0.573 1.661 1.00 0.00 C +ATOM 101 NE1 TRP A 6 3.455 0.482 0.546 1.00 0.00 N +ATOM 102 CE2 TRP A 6 2.959 0.563 1.826 1.00 0.00 C +ATOM 103 CE3 TRP A 6 0.765 0.602 2.836 1.00 0.00 C +ATOM 104 CZ2 TRP A 6 3.578 0.610 3.082 1.00 0.00 C +ATOM 105 CZ3 TRP A 6 1.375 0.609 4.105 1.00 0.00 C +ATOM 106 CH2 TRP A 6 2.774 0.632 4.232 1.00 0.00 C +ATOM 107 H TRP A 6 -2.350 0.086 -1.539 1.00 0.00 H +ATOM 108 HA TRP A 6 0.198 -1.218 -1.705 1.00 0.00 H +ATOM 109 HB2 TRP A 6 -0.064 1.159 -1.277 1.00 0.00 H +ATOM 110 HB3 TRP A 6 -0.841 0.856 0.262 1.00 0.00 H +ATOM 111 HD1 TRP A 6 2.583 0.342 -1.457 1.00 0.00 H +ATOM 112 HE1 TRP A 6 4.453 0.438 0.329 1.00 0.00 H +ATOM 113 HE3 TRP A 6 -0.312 0.606 2.755 1.00 0.00 H +ATOM 114 HZ2 TRP A 6 4.655 0.607 3.156 1.00 0.00 H +ATOM 115 HZ3 TRP A 6 0.762 0.609 4.996 1.00 0.00 H +ATOM 116 HH2 TRP A 6 3.223 0.656 5.215 1.00 0.00 H +ATOM 117 N LEU A 7 -1.495 -1.933 1.067 1.00 0.00 N +ATOM 118 CA LEU A 7 -1.631 -2.979 2.085 1.00 0.00 C +ATOM 119 C LEU A 7 -1.880 -4.365 1.470 1.00 0.00 C +ATOM 120 O LEU A 7 -1.286 -5.334 1.938 1.00 0.00 O +ATOM 121 CB LEU A 7 -2.736 -2.618 3.092 1.00 0.00 C +ATOM 122 CG LEU A 7 -2.373 -1.484 4.072 1.00 0.00 C +ATOM 123 CD1 LEU A 7 -3.572 -1.205 4.981 1.00 0.00 C +ATOM 124 CD2 LEU A 7 -1.173 -1.831 4.963 1.00 0.00 C +ATOM 125 H LEU A 7 -2.195 -1.196 1.019 1.00 0.00 H +ATOM 126 HA LEU A 7 -0.684 -3.061 2.616 1.00 0.00 H +ATOM 127 HB2 LEU A 7 -3.605 -2.317 2.540 1.00 0.00 H +ATOM 128 HB3 LEU A 7 -2.968 -3.507 3.680 1.00 0.00 H +ATOM 129 HG LEU A 7 -2.145 -0.578 3.513 1.00 0.00 H +ATOM 130 HD11 LEU A 7 -4.432 -0.914 4.377 1.00 0.00 H +ATOM 131 HD12 LEU A 7 -3.821 -2.097 5.558 1.00 0.00 H +ATOM 132 HD13 LEU A 7 -3.338 -0.395 5.671 1.00 0.00 H +ATOM 133 HD21 LEU A 7 -1.337 -2.790 5.456 1.00 0.00 H +ATOM 134 HD22 LEU A 7 -0.263 -1.882 4.367 1.00 0.00 H +ATOM 135 HD23 LEU A 7 -1.035 -1.059 5.719 1.00 0.00 H +ATOM 136 N LYS A 8 -2.706 -4.471 0.416 1.00 0.00 N +ATOM 137 CA LYS A 8 -3.040 -5.736 -0.258 1.00 0.00 C +ATOM 138 C LYS A 8 -1.805 -6.466 -0.789 1.00 0.00 C +ATOM 139 O LYS A 8 -1.742 -7.687 -0.688 1.00 0.00 O +ATOM 140 CB LYS A 8 -4.034 -5.485 -1.410 1.00 0.00 C +ATOM 141 CG LYS A 8 -4.931 -6.689 -1.757 1.00 0.00 C +ATOM 142 CD LYS A 8 -6.238 -6.726 -0.944 1.00 0.00 C +ATOM 143 CE LYS A 8 -6.111 -7.395 0.434 1.00 0.00 C +ATOM 144 NZ LYS A 8 -6.596 -8.795 0.413 1.00 0.00 N +ATOM 145 H LYS A 8 -3.180 -3.623 0.110 1.00 0.00 H +ATOM 146 HA LYS A 8 -3.483 -6.388 0.485 1.00 0.00 H +ATOM 147 HB2 LYS A 8 -4.667 -4.665 -1.133 1.00 0.00 H +ATOM 148 HB3 LYS A 8 -3.469 -5.209 -2.302 1.00 0.00 H +ATOM 149 HG2 LYS A 8 -5.179 -6.640 -2.800 1.00 0.00 H +ATOM 150 HG3 LYS A 8 -4.383 -7.626 -1.648 1.00 0.00 H +ATOM 151 HD2 LYS A 8 -6.571 -5.716 -0.797 1.00 0.00 H +ATOM 152 HD3 LYS A 8 -6.998 -7.246 -1.531 1.00 0.00 H +ATOM 153 HE2 LYS A 8 -5.079 -7.389 0.729 1.00 0.00 H +ATOM 154 HE3 LYS A 8 -6.699 -6.816 1.151 1.00 0.00 H +ATOM 155 HZ1 LYS A 8 -7.551 -8.825 0.081 1.00 0.00 H +ATOM 156 HZ2 LYS A 8 -6.018 -9.355 -0.202 1.00 0.00 H +ATOM 157 HZ3 LYS A 8 -6.565 -9.193 1.343 1.00 0.00 H +ATOM 158 N ASP A 9 -0.838 -5.715 -1.323 1.00 0.00 N +ATOM 159 CA ASP A 9 0.450 -6.224 -1.807 1.00 0.00 C +ATOM 160 C ASP A 9 1.375 -6.712 -0.666 1.00 0.00 C +ATOM 161 O ASP A 9 2.268 -7.521 -0.902 1.00 0.00 O +ATOM 162 CB ASP A 9 1.122 -5.114 -2.638 1.00 0.00 C +ATOM 163 CG ASP A 9 1.749 -5.645 -3.931 1.00 0.00 C +ATOM 164 OD1 ASP A 9 2.908 -6.107 -3.879 1.00 0.00 O +ATOM 165 OD2 ASP A 9 1.053 -5.563 -4.967 1.00 0.00 O +ATOM 166 H ASP A 9 -1.027 -4.724 -1.433 1.00 0.00 H +ATOM 167 HA ASP A 9 0.258 -7.078 -2.459 1.00 0.00 H +ATOM 168 HB2 ASP A 9 0.383 -4.379 -2.891 1.00 0.00 H +ATOM 169 HB3 ASP A 9 1.874 -4.603 -2.038 1.00 0.00 H +ATOM 170 N GLY A 10 1.131 -6.267 0.578 1.00 0.00 N +ATOM 171 CA GLY A 10 1.947 -6.573 1.759 1.00 0.00 C +ATOM 172 C GLY A 10 2.471 -5.343 2.517 1.00 0.00 C +ATOM 173 O GLY A 10 3.312 -5.492 3.405 1.00 0.00 O +ATOM 174 H GLY A 10 0.292 -5.717 0.714 1.00 0.00 H +ATOM 175 HA2 GLY A 10 1.343 -7.159 2.453 1.00 0.00 H +ATOM 176 HA3 GLY A 10 2.809 -7.177 1.472 1.00 0.00 H +ATOM 177 N GLY A 11 2.017 -4.128 2.178 1.00 0.00 N +ATOM 178 CA GLY A 11 2.486 -2.885 2.787 1.00 0.00 C +ATOM 179 C GLY A 11 4.008 -2.719 2.637 1.00 0.00 C +ATOM 180 O GLY A 11 4.503 -2.800 1.506 1.00 0.00 O +ATOM 181 H GLY A 11 1.396 -4.039 1.378 1.00 0.00 H +ATOM 182 HA2 GLY A 11 2.001 -2.048 2.288 1.00 0.00 H +ATOM 183 HA3 GLY A 11 2.186 -2.879 3.832 1.00 0.00 H +ATOM 184 N PRO A 12 4.780 -2.519 3.728 1.00 0.00 N +ATOM 185 CA PRO A 12 6.239 -2.387 3.665 1.00 0.00 C +ATOM 186 C PRO A 12 6.950 -3.575 3.000 1.00 0.00 C +ATOM 187 O PRO A 12 7.979 -3.391 2.354 1.00 0.00 O +ATOM 188 CB PRO A 12 6.713 -2.228 5.117 1.00 0.00 C +ATOM 189 CG PRO A 12 5.470 -1.751 5.866 1.00 0.00 C +ATOM 190 CD PRO A 12 4.331 -2.431 5.110 1.00 0.00 C +ATOM 191 HA PRO A 12 6.480 -1.479 3.109 1.00 0.00 H +ATOM 192 HB2 PRO A 12 7.058 -3.165 5.510 1.00 0.00 H +ATOM 193 HB3 PRO A 12 7.527 -1.506 5.194 1.00 0.00 H +ATOM 194 HG2 PRO A 12 5.494 -2.065 6.892 1.00 0.00 H +ATOM 195 HG3 PRO A 12 5.378 -0.669 5.771 1.00 0.00 H +ATOM 196 HD2 PRO A 12 4.149 -3.411 5.508 1.00 0.00 H +ATOM 197 HD3 PRO A 12 3.421 -1.842 5.212 1.00 0.00 H +ATOM 198 N SER A 13 6.391 -4.788 3.108 1.00 0.00 N +ATOM 199 CA SER A 13 6.963 -6.030 2.565 1.00 0.00 C +ATOM 200 C SER A 13 6.817 -6.172 1.040 1.00 0.00 C +ATOM 201 O SER A 13 7.075 -7.245 0.502 1.00 0.00 O +ATOM 202 CB SER A 13 6.348 -7.235 3.292 1.00 0.00 C +ATOM 203 OG SER A 13 6.588 -7.135 4.685 1.00 0.00 O +ATOM 204 H SER A 13 5.511 -4.881 3.605 1.00 0.00 H +ATOM 205 HA SER A 13 8.033 -6.031 2.772 1.00 0.00 H +ATOM 206 HB2 SER A 13 5.290 -7.255 3.114 1.00 0.00 H +ATOM 207 HB3 SER A 13 6.798 -8.157 2.922 1.00 0.00 H +ATOM 208 HG SER A 13 7.535 -7.126 4.838 1.00 0.00 H +ATOM 209 N SER A 14 6.433 -5.095 0.342 1.00 0.00 N +ATOM 210 CA SER A 14 6.094 -5.070 -1.091 1.00 0.00 C +ATOM 211 C SER A 14 7.131 -4.326 -1.948 1.00 0.00 C +ATOM 212 O SER A 14 6.912 -4.123 -3.139 1.00 0.00 O +ATOM 213 CB SER A 14 4.713 -4.430 -1.320 1.00 0.00 C +ATOM 214 OG SER A 14 3.852 -4.557 -0.209 1.00 0.00 O +ATOM 215 H SER A 14 6.248 -4.262 0.883 1.00 0.00 H +ATOM 216 HA SER A 14 6.036 -6.095 -1.458 1.00 0.00 H +ATOM 217 HB2 SER A 14 4.851 -3.386 -1.528 1.00 0.00 H +ATOM 218 HB3 SER A 14 4.256 -4.900 -2.188 1.00 0.00 H +ATOM 219 HG SER A 14 4.090 -3.859 0.448 1.00 0.00 H +ATOM 220 N GLY A 15 8.234 -3.851 -1.350 1.00 0.00 N +ATOM 221 CA GLY A 15 9.242 -3.043 -2.046 1.00 0.00 C +ATOM 222 C GLY A 15 8.765 -1.634 -2.430 1.00 0.00 C +ATOM 223 O GLY A 15 9.339 -1.029 -3.333 1.00 0.00 O +ATOM 224 H GLY A 15 8.368 -4.078 -0.374 1.00 0.00 H +ATOM 225 HA2 GLY A 15 10.125 -2.943 -1.415 1.00 0.00 H +ATOM 226 HA3 GLY A 15 9.540 -3.557 -2.962 1.00 0.00 H +ATOM 227 N ARG A 16 7.712 -1.116 -1.776 1.00 0.00 N +ATOM 228 CA ARG A 16 7.012 0.119 -2.159 1.00 0.00 C +ATOM 229 C ARG A 16 6.744 1.004 -0.927 1.00 0.00 C +ATOM 230 O ARG A 16 6.192 0.494 0.050 1.00 0.00 O +ATOM 231 CB ARG A 16 5.715 -0.274 -2.903 1.00 0.00 C +ATOM 232 CG ARG A 16 5.325 0.703 -4.024 1.00 0.00 C +ATOM 233 CD ARG A 16 4.678 2.015 -3.540 1.00 0.00 C +ATOM 234 NE ARG A 16 3.237 2.087 -3.842 1.00 0.00 N +ATOM 235 CZ ARG A 16 2.680 2.273 -5.035 1.00 0.00 C +ATOM 236 NH1 ARG A 16 3.403 2.443 -6.118 1.00 0.00 N +ATOM 237 NH2 ARG A 16 1.375 2.289 -5.163 1.00 0.00 N +ATOM 238 H ARG A 16 7.321 -1.668 -1.025 1.00 0.00 H +ATOM 239 HA ARG A 16 7.663 0.650 -2.853 1.00 0.00 H +ATOM 240 HB2 ARG A 16 5.853 -1.247 -3.334 1.00 0.00 H +ATOM 241 HB3 ARG A 16 4.890 -0.391 -2.200 1.00 0.00 H +ATOM 242 HG2 ARG A 16 6.212 0.951 -4.574 1.00 0.00 H +ATOM 243 HG3 ARG A 16 4.637 0.186 -4.695 1.00 0.00 H +ATOM 244 HD2 ARG A 16 4.810 2.091 -2.478 1.00 0.00 H +ATOM 245 HD3 ARG A 16 5.186 2.860 -4.006 1.00 0.00 H +ATOM 246 HE ARG A 16 2.615 2.042 -3.054 1.00 0.00 H +ATOM 247 HH11 ARG A 16 4.402 2.431 -6.023 1.00 0.00 H +ATOM 248 HH12 ARG A 16 2.980 2.582 -7.018 1.00 0.00 H +ATOM 249 HH21 ARG A 16 0.783 2.132 -4.366 1.00 0.00 H +ATOM 250 HH22 ARG A 16 0.966 2.417 -6.070 1.00 0.00 H +ATOM 251 N PRO A 17 7.089 2.310 -0.946 1.00 0.00 N +ATOM 252 CA PRO A 17 6.885 3.210 0.196 1.00 0.00 C +ATOM 253 C PRO A 17 5.393 3.477 0.503 1.00 0.00 C +ATOM 254 O PRO A 17 4.546 3.303 -0.377 1.00 0.00 O +ATOM 255 CB PRO A 17 7.623 4.504 -0.182 1.00 0.00 C +ATOM 256 CG PRO A 17 7.588 4.505 -1.707 1.00 0.00 C +ATOM 257 CD PRO A 17 7.737 3.023 -2.038 1.00 0.00 C +ATOM 258 HA PRO A 17 7.356 2.774 1.077 1.00 0.00 H +ATOM 259 HB2 PRO A 17 7.117 5.363 0.213 1.00 0.00 H +ATOM 260 HB3 PRO A 17 8.658 4.442 0.155 1.00 0.00 H +ATOM 261 HG2 PRO A 17 6.657 4.893 -2.074 1.00 0.00 H +ATOM 262 HG3 PRO A 17 8.394 5.099 -2.134 1.00 0.00 H +ATOM 263 HD2 PRO A 17 7.256 2.797 -2.970 1.00 0.00 H +ATOM 264 HD3 PRO A 17 8.794 2.757 -2.066 1.00 0.00 H +ATOM 265 N PRO A 18 5.059 3.929 1.730 1.00 0.00 N +ATOM 266 CA PRO A 18 3.682 4.205 2.144 1.00 0.00 C +ATOM 267 C PRO A 18 3.095 5.411 1.383 1.00 0.00 C +ATOM 268 O PRO A 18 3.661 6.502 1.452 1.00 0.00 O +ATOM 269 CB PRO A 18 3.748 4.459 3.655 1.00 0.00 C +ATOM 270 CG PRO A 18 5.175 4.956 3.878 1.00 0.00 C +ATOM 271 CD PRO A 18 5.977 4.185 2.832 1.00 0.00 C +ATOM 272 HA PRO A 18 3.080 3.317 1.975 1.00 0.00 H +ATOM 273 HB2 PRO A 18 3.033 5.203 3.949 1.00 0.00 H +ATOM 274 HB3 PRO A 18 3.609 3.517 4.186 1.00 0.00 H +ATOM 275 HG2 PRO A 18 5.245 6.014 3.714 1.00 0.00 H +ATOM 276 HG3 PRO A 18 5.524 4.748 4.890 1.00 0.00 H +ATOM 277 HD2 PRO A 18 6.810 4.771 2.495 1.00 0.00 H +ATOM 278 HD3 PRO A 18 6.310 3.236 3.253 1.00 0.00 H +ATOM 279 N PRO A 19 1.966 5.253 0.661 1.00 0.00 N +ATOM 280 CA PRO A 19 1.331 6.356 -0.052 1.00 0.00 C +ATOM 281 C PRO A 19 0.578 7.268 0.928 1.00 0.00 C +ATOM 282 O PRO A 19 -0.202 6.793 1.754 1.00 0.00 O +ATOM 283 CB PRO A 19 0.397 5.681 -1.061 1.00 0.00 C +ATOM 284 CG PRO A 19 -0.022 4.391 -0.357 1.00 0.00 C +ATOM 285 CD PRO A 19 1.197 4.027 0.492 1.00 0.00 C +ATOM 286 HA PRO A 19 2.080 6.941 -0.589 1.00 0.00 H +ATOM 287 HB2 PRO A 19 -0.455 6.299 -1.267 1.00 0.00 H +ATOM 288 HB3 PRO A 19 0.960 5.433 -1.961 1.00 0.00 H +ATOM 289 HG2 PRO A 19 -0.883 4.555 0.261 1.00 0.00 H +ATOM 290 HG3 PRO A 19 -0.265 3.606 -1.072 1.00 0.00 H +ATOM 291 HD2 PRO A 19 0.884 3.651 1.447 1.00 0.00 H +ATOM 292 HD3 PRO A 19 1.805 3.288 -0.030 1.00 0.00 H +ATOM 293 N SER A 20 0.794 8.581 0.820 1.00 0.00 N +ATOM 294 CA SER A 20 0.068 9.633 1.546 1.00 0.00 C +ATOM 295 C SER A 20 -0.019 10.895 0.692 1.00 0.00 C +ATOM 296 O SER A 20 0.894 11.061 -0.156 1.00 0.00 O +ATOM 297 CB SER A 20 0.690 9.909 2.920 1.00 0.00 C +ATOM 298 OG SER A 20 2.087 10.037 2.813 1.00 0.00 O +ATOM 299 OXT SER A 20 -1.022 11.612 0.858 1.00 0.00 O +ATOM 300 H SER A 20 1.377 8.948 0.073 1.00 0.00 H +ATOM 301 HA SER A 20 -0.962 9.316 1.705 1.00 0.00 H +ATOM 302 HB2 SER A 20 0.282 10.819 3.316 1.00 0.00 H +ATOM 303 HB3 SER A 20 0.461 9.076 3.584 1.00 0.00 H +ATOM 304 HG SER A 20 2.347 9.513 2.048 1.00 0.00 H +TER 305 SER A 20 +ENDMDL +MASTER 109 0 0 2 0 0 0 611552 38 0 2 +END diff --git a/examples/unres/CSA/GAB/CSA/global/unrestrained/reminimize/1l2y_csa_GB000.int b/examples/unres/CSA/GAB/CSA/global/unrestrained/reminimize/1l2y_csa_GB000.int new file mode 100644 index 0000000..dbc6349 --- /dev/null +++ b/examples/unres/CSA/GAB/CSA/global/unrestrained/reminimize/1l2y_csa_GB000.int @@ -0,0 +1,2600 @@ + 1 -88.12 0 + 93.9902 91.4469 89.2500 89.4542 89.3747 89.3217 89.2616 88.6456 + 91.0124 95.5919 130.9364 93.9890 94.6583 134.6164 116.7496 131.4564 + 118.9415 119.2810 93.1354 93.2990 + 118.5841 79.4877 52.1005 42.8230 48.1776 58.8031 58.4604 47.4555 + 170.9677 99.7450 -52.6701 81.4239 -58.1706 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122.4203 143.5742 138.9394 137.2841 + 112.1115 0.0000 0.0000 86.8155 138.6220 110.0183 0.0000 149.2573 + 112.2892 120.0806 100.4370 112.7179 + -9.1963 -15.1329 109.7741 -90.1969 -132.5690 -21.7886 -161.9155 -131.2520 + -77.4449 0.0000 0.0000 -69.3636 -113.4213 -76.9071 0.0000 -33.9374 + -115.2396 -123.0718 -105.8621 -78.2939 + 198 -85.58 0 + 93.9691 92.4043 90.2519 88.7989 89.4060 90.5626 90.2943 90.7504 + 92.0936 94.9149 125.1844 93.9358 125.2828 129.8595 127.7153 127.2854 + 118.8926 113.4655 93.0506 93.2710 + 108.3265 151.6265 89.8803 45.1006 47.7150 48.0846 47.8545 50.9753 + 172.6133 136.3558 -31.4389 82.3524 -104.9506 -89.4621 -172.1899 -88.4148 + -108.4001 -136.5161 86.2021 + 141.4115 139.1139 99.1516 148.2219 95.5772 127.4661 137.7331 133.5160 + 141.9239 0.0000 0.0000 97.0956 122.2726 122.4901 0.0000 110.8089 + 126.4471 98.5214 104.3007 109.8354 + -2.3399 -21.9297 -94.2534 -110.6243 -59.2629 63.5127 -111.8795 -136.9015 + -126.3093 0.0000 0.0000 -98.3345 -75.3255 -80.5540 0.0000 -109.0518 + -137.3888 -85.9156 -112.9157 -77.4914 + 199 -83.35 0 + 93.8924 91.3007 90.7859 90.3890 90.2578 91.3347 90.3037 92.1551 + 91.0674 95.7604 145.8627 127.9520 93.8814 139.2587 93.8859 107.5764 + 115.1071 119.4461 93.3176 93.3701 + 122.4347 85.7122 46.8169 44.3855 43.7624 49.3631 45.2713 79.7595 + -96.1423 49.4872 -72.5879 165.0378 87.2604 -179.3461 66.1957 -66.0504 + -107.4695 -140.5048 51.4613 + 146.5933 128.2325 94.1244 150.4991 120.7247 134.3749 132.6223 135.8918 + 140.6589 0.0000 0.0000 113.4618 108.2868 125.0655 0.0000 71.8503 + 120.5394 113.4717 95.5365 111.7904 + -8.7744 -14.6561 -86.3695 -100.1338 -125.9279 29.9025 -144.5754 -133.3044 + -130.7800 0.0000 0.0000 -110.0096 -74.7711 -84.2570 0.0000 -73.3859 + -128.3280 -113.2912 -100.9704 -81.4244 + 200 -88.06 0 + 93.7392 93.0555 127.4739 91.5159 89.8419 90.0791 89.9853 90.8689 + 91.7628 95.8336 142.2185 132.2540 92.8573 127.9142 95.5646 120.1546 + 122.4162 110.3173 94.1948 93.4313 + 111.5820 123.6463 -95.7555 55.0677 41.9172 66.5631 43.8303 74.9811 + -77.1157 171.6109 -53.2654 157.1470 104.1280 -55.5894 82.1154 -81.1536 + -163.3524 -165.8557 29.1627 + 152.8467 131.7543 94.4938 144.3777 123.8961 117.5398 154.4433 83.8191 + 138.2770 0.0000 0.0000 107.4963 113.6075 119.9297 0.0000 117.6122 + 116.3624 136.7681 90.5766 116.2814 + -19.3190 -38.4191 -91.2834 -114.5461 -89.8784 -28.3611 -150.3332 -77.7266 + -120.5416 0.0000 0.0000 -101.2719 -76.0821 -82.2299 0.0000 -57.4186 + -119.5327 -153.9562 -80.1864 -80.2624 diff --git a/examples/unres/CSA/GAB/CSA/global/unrestrained/reminimize/1l2y_remini.inp b/examples/unres/CSA/GAB/CSA/global/unrestrained/reminimize/1l2y_remini.inp new file mode 100644 index 0000000..48080f1 --- /dev/null +++ b/examples/unres/CSA/GAB/CSA/global/unrestrained/reminimize/1l2y_remini.inp @@ -0,0 +1,15 @@ +1l2y +SEED=-3059743 MULTCONF RESCALE_MODE=0 OVERLAP NOSEARCHSC MINIMIZE PDBREF +MAXMIN=2000 MAXFUN=3000 +WLONG=1.35279 WSCP=1.59304 WELEC=0.71534 WBOND=1.00000 WANG=1.13873 & +WSCLOC=0.16258 WTOR=1.98599 WTORD=1.57069 WCORRH=0.42887 WCORR5=0.00000 & +WCORR6=0.00000 WEL_LOC=0.16036 WTURN3=1.68722 WTURN4=0.66230 WTURN6=0.00000 & +WVDWPP=0.11371 WHPB=1.00000 WSCCOR=0.00000 & +CUTOFF=7.00000 WCORR4=0.00000 +1l2y.pdb +22 + D ASN LEU TYR ILE GLN TRP LEU LYS ASP GLY GLY PRO SER SER GLY ARG PRO PRO PRO + SER D +0 +0 +1l2y_csa_GB000.int diff --git a/examples/unres/CSA/GAB/CSA/global/unrestrained/reminimize/1l2y_remini.intin b/examples/unres/CSA/GAB/CSA/global/unrestrained/reminimize/1l2y_remini.intin new file mode 100644 index 0000000..e69de29 diff --git a/examples/unres/CSA/GAB/CSA/global/unrestrained/reminimize/1l2y_remini.out_GB000 b/examples/unres/CSA/GAB/CSA/global/unrestrained/reminimize/1l2y_remini.out_GB000 new file mode 100644 index 0000000..b8c5935 --- /dev/null +++ b/examples/unres/CSA/GAB/CSA/global/unrestrained/reminimize/1l2y_remini.out_GB000 @@ -0,0 +1,7851 @@ +-------------------------------------------------------------------------------- + FILE ASSIGNMENT +-------------------------------------------------------------------------------- + Input file : 1l2y_remini.inp + Output file : 1l2y_remini.out_GB000 + + Sidechain potential file : + /users/czarek/UNRES/GIT/unres/PARAM/sc_GB_opt.1gab_3S_qclass5no310-shan2-sc-16- + 10-8k + SCp potential file : /users/czarek/UNRES/GIT/unres/PARAM/scp.parm + Electrostatic potential file : + /users/czarek/UNRES/GIT/unres/PARAM/electr_631Gdp.parm + Cumulant coefficient file : + /users/czarek/UNRES/GIT/unres/PARAM/fourier_opt.parm.1igd_hc_iter3_3 + Torsional parameter file : + /users/czarek/UNRES/GIT/unres/PARAM/torsion_631Gdp.parm + Double torsional parameter file : + /users/czarek/UNRES/GIT/unres/PARAM/torsion_double_631Gdp.parm + SCCOR parameter file : /users/czarek/UNRES/GIT/unres/PARAM/rotcorr_AM1.parm + Bond & inertia constant file : /users/czarek/UNRES/GIT/unres/PARAM/bond.parm + Bending parameter file : + /users/czarek/UNRES/GIT/unres/PARAM/thetaml.5parm + Rotamer parameter file : + /users/czarek/UNRES/GIT/unres/PARAM/scgauss.parm + Threading database : + /users/czarek/UNRES/GIT/unres/PARAM/patterns.cart +-------------------------------------------------------------------------------- +******************************************************************************** +United-residue force field calculation - parallel job. +******************************************************************************** + ### LAST MODIFIED 11/03/09 1:19PM by czarek + ++++ Compile info ++++ + Version CSA and DFA only + +Potential is GB , exponents are 6 12 + +Disulfide bridge parameters: +S-S bridge energy: -5.50 +d0cm: 3.78 akcm: 15.10 +akth: 11.00 akct: 12.00 +v1ss: -1.08 v2ss: 7.61 v3ss: 13.70 + MPI: node= 0 iseed= -3059742 + ran_num 0.273754117333397 +RMSDBC = 3.0 +RMSDBC1 = 0.5 +RMSDBC1MAX = 1.5 +DRMS = 0.1 +RMSDBCM = 3.0 +Time limit (min): 960.0 + RESCALE_MODE 0 +Library routine used to diagonalize matrices. + +******************************************************************************** + Options in energy minimization: +******************************************************************************** +MaxMin: 2000 MaxFun: 3000MinMin: 2000 MinFun: 2000 TolF: 1.00000E-02 RTolF: 1.00000E-04 + +Energy-term weights (unscaled): + +WSCC= 1.352790 (SC-SC) +WSCP= 1.593040 (SC-p) +WELEC= 0.715340 (p-p electr) +WVDWPP= 0.113710 (p-p VDW) +WBOND= 1.000000 (stretching) +WANG= 1.138730 (bending) +WSCLOC= 0.162580 (SC local) +WTOR= 1.985990 (torsional) +WTORD= 1.570690 (double torsional) +WSTRAIN= 1.000000 (SS bridges & dist. cnstr.) +WEL_LOC= 0.160360 (multi-body 3-rd order) +WCORR4= 0.428870 (multi-body 4th order) +WCORR5= 0.000000 (multi-body 5th order) +WCORR6= 0.000000 (multi-body 6th order) +WSCCOR= 0.000000 (back-scloc correlation) +WTURN3= 1.687220 (turns, 3rd order) +WTURN4= 0.662300 (turns, 4th order) +WTURN6= 0.000000 (turns, 6th order) +WDFA_D= 0.000000 (DFA, distance) +WDFA_T= 0.000000 (DFA, torsional) +WDFA_N= 0.000000 (DFA, number of neighbor) +WDFA_B= 0.000000 (DFA, beta formation) + +Hydrogen-bonding correlation between contact pairs of peptide groups + +Scaling factor of 1,4 SC-p interactions: 0.400 +General scaling factor of SC-p interactions: 1.000 + +Energy-term weights (scaled): + +WSCC= 1.352790 (SC-SC) +WSCP= 1.593040 (SC-p) +WELEC= 0.715340 (p-p electr) +WVDWPP= 0.113710 (p-p VDW) +WBOND= 1.000000 (stretching) +WANG= 1.138730 (bending) +WSCLOC= 0.162580 (SC local) +WTOR= 1.985990 (torsional) +WTORD= 1.570690 (double torsional) +WSTRAIN= 1.000000 (SS bridges & dist. cnstr.) +WEL_LOC= 0.160360 (multi-body 3-rd order) +WCORR4= 0.428870 (multi-body 4th order) +WCORR5= 0.000000 (multi-body 5th order) +WCORR6= 0.000000 (multi-body 6th order) +WSCCOR= 0.000000 (back-scloc correlatkion) +WTURN3= 1.687220 (turns, 3rd order) +WTURN4= 0.662300 (turns, 4th order) +WTURN6= 0.000000 (turns, 6th order) +WDFA_D= 0.000000 (DFA, distance) +WDFA_T= 0.000000 (DFA, torsional) +WDFA_N= 0.000000 (DFA, number of neighbor) +WDFA_B= 0.000000 (DFA, beta formation) + Reference temperature for weights calculation: 300.000000000000 + Parameters of the SS-bond potential: + D0CM 3.78000000000000 AKCM 15.1000000000000 AKTH + 11.0000000000000 AKCT 12.0000000000000 + V1SS -1.08000000000000 V2SS 7.61000000000000 V3SS + 13.7000000000000 + EBR -5.50000000000000 +PDB data will be read from file 1l2y.pdb + Nres: 21 +Backbone and SC coordinates as read from the PDB + 1 21 D -9.841 4.399 -5.051 -9.841 4.399 -5.051 + 2 14 ASN -8.608 3.135 -1.618 -10.909 3.249 -2.846 + 3 5 LEU -4.923 4.002 -2.452 -4.502 6.849 -1.550 + 4 8 TYR -3.690 2.738 0.981 -1.959 3.143 3.797 + 5 4 ILE -5.857 -0.449 0.613 -7.910 -0.417 1.393 + 6 13 GLN -4.122 -1.167 -2.743 -5.540 -1.315 -5.233 + 7 7 TRP -0.716 -0.631 -0.993 1.727 0.440 1.450 + 8 5 LEU -1.641 -2.932 1.963 -2.262 -1.871 4.556 + 9 19 LYS -3.024 -5.791 -0.269 -3.820 -5.527 -3.146 + 10 16 ASP 0.466 -6.016 -1.905 0.653 -5.125 -3.676 + 11 10 GLY 2.060 -6.618 1.593 2.060 -6.618 1.593 + 12 10 GLY 2.626 -2.967 2.723 2.626 -2.967 2.723 + 13 20 PRO 6.333 -2.533 3.806 5.724 -2.372 5.058 + 14 12 SER 7.049 -6.179 2.704 6.757 -6.938 3.675 + 15 12 SER 6.389 -5.315 -1.015 5.245 -5.350 -1.546 + 16 10 GLY 9.451 -3.116 -1.870 9.451 -3.116 -1.870 + 17 18 ARG 7.289 0.084 -2.054 5.225 -1.826 -3.986 + 18 20 PRO 6.782 3.088 0.345 7.458 3.741 -0.688 + 19 20 PRO 3.287 4.031 1.686 4.025 4.206 2.856 + 20 20 PRO 1.185 6.543 -0.353 0.358 5.421 -0.430 + 21 12 SER 0.852 10.027 1.285 1.151 10.636 1.488 + 22 21 D -1.250 12.539 -0.754 -1.250 12.539 -0.754 +nsup= 20 nstart_sup= 2 + ITEL + 1 21 0 + 2 14 1 + 3 5 1 + 4 8 1 + 5 4 1 + 6 13 1 + 7 7 1 + 8 5 1 + 9 19 1 + 10 16 1 + 11 10 1 + 12 10 2 + 13 20 1 + 14 12 1 + 15 12 1 + 16 10 1 + 17 18 2 + 18 20 2 + 19 20 2 + 20 20 1 + 21 12 0 + ns= 0 iss: +Boundaries in phi angle sampling: +D 1 -180.0 180.0 +ASN 2 -180.0 180.0 +LEU 3 -180.0 180.0 +TYR 4 -180.0 180.0 +ILE 5 -180.0 180.0 +GLN 6 -180.0 180.0 +TRP 7 -180.0 180.0 +LEU 8 -180.0 180.0 +LYS 9 -180.0 180.0 +ASP 10 -180.0 180.0 +GLY 11 -180.0 180.0 +GLY 12 -180.0 180.0 +PRO 13 -180.0 180.0 +SER 14 -180.0 180.0 +SER 15 -180.0 180.0 +GLY 16 -180.0 180.0 +ARG 17 -180.0 180.0 +PRO 18 -180.0 180.0 +PRO 19 -180.0 180.0 +PRO 20 -180.0 180.0 +SER 21 -180.0 180.0 +D 22 -180.0 180.0 +nsup= 20 + nsup= 20 nstart_sup= 2 nstart_seq= 2 + NZ_START= 2 NZ_END= 21 + IZ_SC= 0 + Processor 0 CG group 0 absolute rank 0 nhpb + 0 link_start= 1 link_end 0 + Contact order: 0.337121212121212 + Shifting contacts: 2 2 + 1 TRP 7 TYR 4 + 2 LEU 8 TYR 4 + 3 LYS 9 GLN 6 + 4 GLY 12 TRP 7 + 5 GLY 12 LEU 8 + 6 SER 14 GLY 11 + 7 SER 15 ASP 10 + 8 SER 15 GLY 11 + 9 PRO 19 TRP 7 + 10 PRO 20 LEU 3 + 11 PRO 20 TYR 4 + 12 PRO 20 TRP 7 +intinname +1l2y_csa_GB000.int + +Geometry of the virtual chain. + Res d Theta Gamma Dsc Alpha Beta +D 1 0.000 0.000 0.000 0.000 0.000 0.000 +ASN 2 3.800 0.000 0.000 1.684 90.531 -178.452 +LEU 3 3.800 92.239 0.000 1.939 101.575 -78.530 +TYR 4 3.800 92.239 -180.000 2.484 163.195 -7.440 +ILE 5 3.800 90.357 45.849 1.776 148.228 -110.333 +GLN 6 3.800 89.090 55.194 2.240 164.593 -141.638 +TRP 7 3.800 88.657 49.396 2.605 123.650 -21.913 +LEU 8 3.800 93.032 48.298 1.939 156.202 -108.750 +LYS 9 3.800 94.826 46.843 2.541 106.974 -55.960 +ASP 10 3.800 87.966 59.623 1.709 153.447 -128.646 +GLY 11 3.800 89.908 56.679 0.000 0.000 0.000 +GLY 12 3.800 100.181 -87.304 0.000 0.000 0.000 +PRO 13 3.800 109.073 -127.499 1.345 101.771 -115.580 +SER 14 3.800 89.537 4.261 1.150 144.515 -129.218 +SER 15 3.800 91.815 66.108 1.150 161.047 -100.177 +GLY 16 3.800 101.784 70.140 0.000 0.000 0.000 +ARG 17 3.800 92.201 -108.949 3.020 139.846 -132.716 +PRO 18 3.800 133.225 103.824 1.345 115.610 -118.024 +PRO 19 3.800 121.502 -122.527 1.345 118.575 -122.417 +PRO 20 3.800 117.950 -90.285 1.345 118.959 -126.207 +SER 21 3.800 114.201 -108.328 1.150 128.925 -37.341 +D 22 3.800 114.201 180.000 0.000 0.000 0.000 + + +******************************************************************************** + Processor 0: end reading molecular data. +******************************************************************************** + + +Energy minimization of multiple conformations calculation. + +Conformations will be energy-minimized. +******************************************************************************** + + Conformation # 1 read + Conformation # 2 read + Conformation # 3 read + Conformation # 4 read + Conformation # 5 read + Conformation # 6 read + Conformation # 7 read + + + Conformation # 1 sumsl return code 4 + +Virtual-chain energies: + +EVDW= -5.277354E+01 WEIGHT= 1.352790D+00 (SC-SC) +EVDW2= 4.508194E+01 WEIGHT= 1.593040D+00 (SC-p) +EES= -9.028195E+01 WEIGHT= 7.153400D-01 (p-p) +EVDWPP= -1.823418E+01 WEIGHT= 1.137100D-01 (p-p VDW) +ESTR= 0.000000E+00 WEIGHT= 1.000000D+00 (stretching) +EBE= -3.853950E+01 WEIGHT= 1.138730D+00 (bending) +ESC= 3.678532E+01 WEIGHT= 1.625800D-01 (SC local) +ETORS= 9.535113E+00 WEIGHT= 1.985990D+00 (torsional) +ETORSD= -6.847777E-01 WEIGHT= 1.570690D+00 (double torsional) +EHBP= 0.000000E+00 WEIGHT= 1.000000D+00 (SS bridges & dist. cnstr.) +ECORR4= -6.543204E+01 WEIGHT= 4.288700D-01 (multi-body) +ECORR5= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body) +ECORR6= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body) +EELLO= -3.344015E-01 WEIGHT= 1.603600D-01 (electrostatic-local) +ETURN3= 1.734097E+01 WEIGHT= 1.687220D+00 (turns, 3rd order) +ETURN4= -4.504341E+00 WEIGHT= 6.623000D-01 (turns, 4th order) +ETURN6= 0.000000E+00 WEIGHT= 0.000000D+00 (turns, 6th order) +ESCCOR= 0.000000E+00 WEIGHT= 0.000000D+00 (backbone-rotamer corr) +EDIHC= 0.000000E+00 (dihedral angle constraints) +ESS= 0.000000E+00 (disulfide-bridge intrinsic energy) +UCONST= 0.000000E+00 (Constraint energy) +EDFAD= 5.491269-315 (DFA distance energy) +EDFAT= 6.953158-310 (DFA torsion energy) +EDFAN= 6.953158-310 (DFA NCa energy) +EDFAB= 2.650815-317 (DFA Beta energy) +ETOT= -8.811500E+01 (total) +RMS deviation from the reference structure: 4.330 + % of native contacts: 25.000 + % of nonnative contacts: 86.364 + contact order: 0.380 + TM-score with the reference structure: 0.28 + Conformation # 8 read + + + Conformation # 2 sumsl return code 4 + +Virtual-chain energies: + +EVDW= -5.251962E+01 WEIGHT= 1.352790D+00 (SC-SC) +EVDW2= 4.557509E+01 WEIGHT= 1.593040D+00 (SC-p) +EES= -8.190080E+01 WEIGHT= 7.153400D-01 (p-p) +EVDWPP= -3.790640E+01 WEIGHT= 1.137100D-01 (p-p VDW) +ESTR= 0.000000E+00 WEIGHT= 1.000000D+00 (stretching) +EBE= -3.825219E+01 WEIGHT= 1.138730D+00 (bending) +ESC= 3.402944E+01 WEIGHT= 1.625800D-01 (SC local) +ETORS= 7.601050E+00 WEIGHT= 1.985990D+00 (torsional) +ETORSD= -8.209400E-01 WEIGHT= 1.570690D+00 (double torsional) +EHBP= 0.000000E+00 WEIGHT= 1.000000D+00 (SS bridges & dist. cnstr.) +ECORR4= -6.006181E+01 WEIGHT= 4.288700D-01 (multi-body) +ECORR5= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body) +ECORR6= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body) +EELLO= -4.725545E+00 WEIGHT= 1.603600D-01 (electrostatic-local) +ETURN3= 1.530709E+01 WEIGHT= 1.687220D+00 (turns, 3rd order) +ETURN4= -7.157145E-01 WEIGHT= 6.623000D-01 (turns, 4th order) +ETURN6= 0.000000E+00 WEIGHT= 0.000000D+00 (turns, 6th order) +ESCCOR= 0.000000E+00 WEIGHT= 0.000000D+00 (backbone-rotamer corr) +EDIHC= 0.000000E+00 (dihedral angle constraints) +ESS= 0.000000E+00 (disulfide-bridge intrinsic energy) +UCONST= 0.000000E+00 (Constraint energy) +EDFAD= 5.491269-315 (DFA distance energy) +EDFAT= 6.953158-310 (DFA torsion energy) +EDFAN= 6.953158-310 (DFA NCa energy) +EDFAB= 2.650815-317 (DFA Beta energy) +ETOT= -8.672666E+01 (total) +RMS deviation from the reference structure: 3.773 + % of native contacts: 33.333 + % of nonnative contacts: 81.818 + contact order: 0.390 + TM-score with the reference structure: 0.29 + Conformation # 9 read + + + Conformation # 8 sumsl return code 4 + +Virtual-chain energies: + +EVDW= -5.862641E+01 WEIGHT= 1.352790D+00 (SC-SC) +EVDW2= 5.301176E+01 WEIGHT= 1.593040D+00 (SC-p) +EES= -1.055439E+02 WEIGHT= 7.153400D-01 (p-p) +EVDWPP= -2.881512E+01 WEIGHT= 1.137100D-01 (p-p VDW) +ESTR= 0.000000E+00 WEIGHT= 1.000000D+00 (stretching) +EBE= -3.731283E+01 WEIGHT= 1.138730D+00 (bending) +ESC= 5.999344E+01 WEIGHT= 1.625800D-01 (SC local) +ETORS= 1.274223E+01 WEIGHT= 1.985990D+00 (torsional) +ETORSD= -2.776734E+00 WEIGHT= 1.570690D+00 (double torsional) +EHBP= 0.000000E+00 WEIGHT= 1.000000D+00 (SS bridges & dist. cnstr.) +ECORR4= -8.174841E+01 WEIGHT= 4.288700D-01 (multi-body) +ECORR5= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body) +ECORR6= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body) +EELLO= -6.338756E+00 WEIGHT= 1.603600D-01 (electrostatic-local) +ETURN3= 1.909217E+01 WEIGHT= 1.687220D+00 (turns, 3rd order) +ETURN4= 4.173937E-02 WEIGHT= 6.623000D-01 (turns, 4th order) +ETURN6= 0.000000E+00 WEIGHT= 0.000000D+00 (turns, 6th order) +ESCCOR= 0.000000E+00 WEIGHT= 0.000000D+00 (backbone-rotamer corr) +EDIHC= 0.000000E+00 (dihedral angle constraints) +ESS= 0.000000E+00 (disulfide-bridge intrinsic energy) +UCONST= 0.000000E+00 (Constraint energy) +EDFAD= 5.491269-315 (DFA distance energy) +EDFAT= 6.953158-310 (DFA torsion energy) +EDFAN= 6.953158-310 (DFA NCa energy) +EDFAB= 2.650815-317 (DFA Beta energy) +ETOT= -8.926226E+01 (total) +RMS deviation from the reference structure: 2.390 + % of native contacts: 50.000 + % of nonnative contacts: 76.000 + contact order: 0.336 + TM-score with the reference structure: 0.31 + Conformation # 10 read + + + Conformation # 3 sumsl return code 4 + +Virtual-chain energies: + +EVDW= -5.446570E+01 WEIGHT= 1.352790D+00 (SC-SC) +EVDW2= 5.095837E+01 WEIGHT= 1.593040D+00 (SC-p) +EES= -1.014688E+02 WEIGHT= 7.153400D-01 (p-p) +EVDWPP= -2.553049E+01 WEIGHT= 1.137100D-01 (p-p VDW) +ESTR= 0.000000E+00 WEIGHT= 1.000000D+00 (stretching) +EBE= -3.717367E+01 WEIGHT= 1.138730D+00 (bending) +ESC= 3.886158E+01 WEIGHT= 1.625800D-01 (SC local) +ETORS= 9.379677E+00 WEIGHT= 1.985990D+00 (torsional) +ETORSD= -1.577902E-01 WEIGHT= 1.570690D+00 (double torsional) +EHBP= 0.000000E+00 WEIGHT= 1.000000D+00 (SS bridges & dist. cnstr.) +ECORR4= -7.663803E+01 WEIGHT= 4.288700D-01 (multi-body) +ECORR5= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body) +ECORR6= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body) +EELLO= -5.522605E+00 WEIGHT= 1.603600D-01 (electrostatic-local) +ETURN3= 1.798679E+01 WEIGHT= 1.687220D+00 (turns, 3rd order) +ETURN4= -2.750991E+00 WEIGHT= 6.623000D-01 (turns, 4th order) +ETURN6= 0.000000E+00 WEIGHT= 0.000000D+00 (turns, 6th order) +ESCCOR= 0.000000E+00 WEIGHT= 0.000000D+00 (backbone-rotamer corr) +EDIHC= 0.000000E+00 (dihedral angle constraints) +ESS= 0.000000E+00 (disulfide-bridge intrinsic energy) +UCONST= 0.000000E+00 (Constraint energy) +EDFAD= 5.491269-315 (DFA distance energy) +EDFAT= 6.953158-310 (DFA torsion energy) +EDFAN= 6.953158-310 (DFA NCa energy) +EDFAB= 2.650815-317 (DFA Beta energy) +ETOT= -9.084990E+01 (total) +RMS deviation from the reference structure: 2.363 + % of native contacts: 50.000 + % of nonnative contacts: 73.913 + contact order: 0.328 + TM-score with the reference structure: 0.30 + Conformation # 11 read + + + Conformation # 4 sumsl return code 4 + +Virtual-chain energies: + +EVDW= -5.606096E+01 WEIGHT= 1.352790D+00 (SC-SC) +EVDW2= 5.183437E+01 WEIGHT= 1.593040D+00 (SC-p) +EES= -9.589161E+01 WEIGHT= 7.153400D-01 (p-p) +EVDWPP= -3.463962E+01 WEIGHT= 1.137100D-01 (p-p VDW) +ESTR= 0.000000E+00 WEIGHT= 1.000000D+00 (stretching) +EBE= -3.689767E+01 WEIGHT= 1.138730D+00 (bending) +ESC= 4.826127E+01 WEIGHT= 1.625800D-01 (SC local) +ETORS= 1.089311E+01 WEIGHT= 1.985990D+00 (torsional) +ETORSD= -3.224204E+00 WEIGHT= 1.570690D+00 (double torsional) +EHBP= 0.000000E+00 WEIGHT= 1.000000D+00 (SS bridges & dist. cnstr.) +ECORR4= -7.305783E+01 WEIGHT= 4.288700D-01 (multi-body) +ECORR5= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body) +ECORR6= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body) +EELLO= -5.019873E+00 WEIGHT= 1.603600D-01 (electrostatic-local) +ETURN3= 1.660095E+01 WEIGHT= 1.687220D+00 (turns, 3rd order) +ETURN4= 1.544380E+00 WEIGHT= 6.623000D-01 (turns, 4th order) +ETURN6= 0.000000E+00 WEIGHT= 0.000000D+00 (turns, 6th order) +ESCCOR= 0.000000E+00 WEIGHT= 0.000000D+00 (backbone-rotamer corr) +EDIHC= 0.000000E+00 (dihedral angle constraints) +ESS= 0.000000E+00 (disulfide-bridge intrinsic energy) +UCONST= 0.000000E+00 (Constraint energy) +EDFAD= 5.491269-315 (DFA distance energy) +EDFAT= 6.953158-310 (DFA torsion energy) +EDFAN= 6.953158-310 (DFA NCa energy) +EDFAB= 2.650815-317 (DFA Beta energy) +ETOT= -8.650422E+01 (total) +RMS deviation from the reference structure: 2.838 + % of native contacts: 66.667 + % of nonnative contacts: 66.667 + contact order: 0.360 + TM-score with the reference structure: 0.30 + Conformation # 12 read + + + Conformation # 5 sumsl return code 4 + +Virtual-chain energies: + +EVDW= -5.255290E+01 WEIGHT= 1.352790D+00 (SC-SC) +EVDW2= 4.613237E+01 WEIGHT= 1.593040D+00 (SC-p) +EES= -8.862998E+01 WEIGHT= 7.153400D-01 (p-p) +EVDWPP= -1.686846E+01 WEIGHT= 1.137100D-01 (p-p VDW) +ESTR= 0.000000E+00 WEIGHT= 1.000000D+00 (stretching) +EBE= -4.122921E+01 WEIGHT= 1.138730D+00 (bending) +ESC= 3.531262E+01 WEIGHT= 1.625800D-01 (SC local) +ETORS= 1.092826E+01 WEIGHT= 1.985990D+00 (torsional) +ETORSD= -2.038125E+00 WEIGHT= 1.570690D+00 (double torsional) +EHBP= 0.000000E+00 WEIGHT= 1.000000D+00 (SS bridges & dist. cnstr.) +ECORR4= -6.579283E+01 WEIGHT= 4.288700D-01 (multi-body) +ECORR5= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body) +ECORR6= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body) +EELLO= -1.609632E+00 WEIGHT= 1.603600D-01 (electrostatic-local) +ETURN3= 1.869754E+01 WEIGHT= 1.687220D+00 (turns, 3rd order) +ETURN4= -5.053111E+00 WEIGHT= 6.623000D-01 (turns, 4th order) +ETURN6= 0.000000E+00 WEIGHT= 0.000000D+00 (turns, 6th order) +ESCCOR= 0.000000E+00 WEIGHT= 0.000000D+00 (backbone-rotamer corr) +EDIHC= 0.000000E+00 (dihedral angle constraints) +ESS= 0.000000E+00 (disulfide-bridge intrinsic energy) +UCONST= 0.000000E+00 (Constraint energy) +EDFAD= 5.491269-315 (DFA distance energy) +EDFAT= 6.953158-310 (DFA torsion energy) +EDFAN= 6.953158-310 (DFA NCa energy) +EDFAB= 2.650815-317 (DFA Beta energy) +ETOT= -8.590119E+01 (total) +RMS deviation from the reference structure: 5.007 + % of native contacts: 33.333 + % of nonnative contacts: 83.333 + contact order: 0.339 + TM-score with the reference structure: 0.26 + Conformation # 13 read + + + Conformation # 12 sumsl return code 4 + +Virtual-chain energies: + +EVDW= -5.113255E+01 WEIGHT= 1.352790D+00 (SC-SC) +EVDW2= 5.019779E+01 WEIGHT= 1.593040D+00 (SC-p) +EES= -9.003293E+01 WEIGHT= 7.153400D-01 (p-p) +EVDWPP= -3.975284E+01 WEIGHT= 1.137100D-01 (p-p VDW) +ESTR= 0.000000E+00 WEIGHT= 1.000000D+00 (stretching) +EBE= -3.403177E+01 WEIGHT= 1.138730D+00 (bending) +ESC= 2.528815E+01 WEIGHT= 1.625800D-01 (SC local) +ETORS= 6.670682E+00 WEIGHT= 1.985990D+00 (torsional) +ETORSD= 3.814703E-01 WEIGHT= 1.570690D+00 (double torsional) +EHBP= 0.000000E+00 WEIGHT= 1.000000D+00 (SS bridges & dist. cnstr.) +ECORR4= -6.732171E+01 WEIGHT= 4.288700D-01 (multi-body) +ECORR5= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body) +ECORR6= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body) +EELLO= -5.201922E+00 WEIGHT= 1.603600D-01 (electrostatic-local) +ETURN3= 1.498134E+01 WEIGHT= 1.687220D+00 (turns, 3rd order) +ETURN4= -2.412060E+00 WEIGHT= 6.623000D-01 (turns, 4th order) +ETURN6= 0.000000E+00 WEIGHT= 0.000000D+00 (turns, 6th order) +ESCCOR= 0.000000E+00 WEIGHT= 0.000000D+00 (backbone-rotamer corr) +EDIHC= 0.000000E+00 (dihedral angle constraints) +ESS= 0.000000E+00 (disulfide-bridge intrinsic energy) +UCONST= 0.000000E+00 (Constraint energy) +EDFAD= 5.491269-315 (DFA distance energy) +EDFAT= 6.953158-310 (DFA torsion energy) +EDFAN= 6.953158-310 (DFA NCa energy) +EDFAB= 2.650815-317 (DFA Beta energy) +ETOT= -8.495066E+01 (total) +RMS deviation from the reference structure: 3.856 + % of native contacts: 33.333 + % of nonnative contacts: 78.947 + contact order: 0.409 + TM-score with the reference structure: 0.26 + Conformation # 14 read + + + Conformation # 9 sumsl return code 4 + +Virtual-chain energies: + +EVDW= -5.332975E+01 WEIGHT= 1.352790D+00 (SC-SC) +EVDW2= 4.661068E+01 WEIGHT= 1.593040D+00 (SC-p) +EES= -8.453295E+01 WEIGHT= 7.153400D-01 (p-p) +EVDWPP= -3.569863E+01 WEIGHT= 1.137100D-01 (p-p VDW) +ESTR= 0.000000E+00 WEIGHT= 1.000000D+00 (stretching) +EBE= -3.585748E+01 WEIGHT= 1.138730D+00 (bending) +ESC= 4.161979E+01 WEIGHT= 1.625800D-01 (SC local) +ETORS= 9.791943E+00 WEIGHT= 1.985990D+00 (torsional) +ETORSD= -3.211485E+00 WEIGHT= 1.570690D+00 (double torsional) +EHBP= 0.000000E+00 WEIGHT= 1.000000D+00 (SS bridges & dist. cnstr.) +ECORR4= -6.511112E+01 WEIGHT= 4.288700D-01 (multi-body) +ECORR5= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body) +ECORR6= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body) +EELLO= -2.001138E+00 WEIGHT= 1.603600D-01 (electrostatic-local) +ETURN3= 1.467991E+01 WEIGHT= 1.687220D+00 (turns, 3rd order) +ETURN4= 2.448021E+00 WEIGHT= 6.623000D-01 (turns, 4th order) +ETURN6= 0.000000E+00 WEIGHT= 0.000000D+00 (turns, 6th order) +ESCCOR= 0.000000E+00 WEIGHT= 0.000000D+00 (backbone-rotamer corr) +EDIHC= 0.000000E+00 (dihedral angle constraints) +ESS= 0.000000E+00 (disulfide-bridge intrinsic energy) +UCONST= 0.000000E+00 (Constraint energy) +EDFAD= 5.491269-315 (DFA distance energy) +EDFAT= 6.953158-310 (DFA torsion energy) +EDFAN= 6.953158-310 (DFA NCa energy) +EDFAB= 2.650815-317 (DFA Beta energy) +ETOT= -8.393890E+01 (total) +RMS deviation from the reference structure: 3.263 + % of native contacts: 41.667 + % of nonnative contacts: 72.222 + contact order: 0.313 + TM-score with the reference structure: 0.28 + Conformation # 15 read + + + Conformation # 11 sumsl return code 4 + +Virtual-chain energies: + +EVDW= -5.294992E+01 WEIGHT= 1.352790D+00 (SC-SC) +EVDW2= 5.050672E+01 WEIGHT= 1.593040D+00 (SC-p) +EES= -1.003682E+02 WEIGHT= 7.153400D-01 (p-p) +EVDWPP= -2.331990E+01 WEIGHT= 1.137100D-01 (p-p VDW) +ESTR= 0.000000E+00 WEIGHT= 1.000000D+00 (stretching) +EBE= -3.851707E+01 WEIGHT= 1.138730D+00 (bending) +ESC= 4.201115E+01 WEIGHT= 1.625800D-01 (SC local) +ETORS= 1.081144E+01 WEIGHT= 1.985990D+00 (torsional) +ETORSD= -8.681825E-01 WEIGHT= 1.570690D+00 (double torsional) +EHBP= 0.000000E+00 WEIGHT= 1.000000D+00 (SS bridges & dist. cnstr.) +ECORR4= -7.698306E+01 WEIGHT= 4.288700D-01 (multi-body) +ECORR5= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body) +ECORR6= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body) +EELLO= -7.837837E+00 WEIGHT= 1.603600D-01 (electrostatic-local) +ETURN3= 1.913565E+01 WEIGHT= 1.687220D+00 (turns, 3rd order) +ETURN4= 1.242277E+00 WEIGHT= 6.623000D-01 (turns, 4th order) +ETURN6= 0.000000E+00 WEIGHT= 0.000000D+00 (turns, 6th order) +ESCCOR= 0.000000E+00 WEIGHT= 0.000000D+00 (backbone-rotamer corr) +EDIHC= 0.000000E+00 (dihedral angle constraints) +ESS= 0.000000E+00 (disulfide-bridge intrinsic energy) +UCONST= 0.000000E+00 (Constraint energy) +EDFAD= 5.491269-315 (DFA distance energy) +EDFAT= 6.953158-310 (DFA torsion energy) +EDFAN= 6.953158-310 (DFA NCa energy) +EDFAB= 2.650815-317 (DFA Beta energy) +ETOT= -8.370635E+01 (total) +RMS deviation from the reference structure: 2.662 + % of native contacts: 50.000 + % of nonnative contacts: 68.421 + contact order: 0.268 + TM-score with the reference structure: 0.34 + Conformation # 16 read + + + Conformation # 13 sumsl return code 4 + +Virtual-chain energies: + +EVDW= -5.568824E+01 WEIGHT= 1.352790D+00 (SC-SC) +EVDW2= 4.807903E+01 WEIGHT= 1.593040D+00 (SC-p) +EES= -9.705815E+01 WEIGHT= 7.153400D-01 (p-p) +EVDWPP= -2.142859E+01 WEIGHT= 1.137100D-01 (p-p VDW) +ESTR= 0.000000E+00 WEIGHT= 1.000000D+00 (stretching) +EBE= -3.949115E+01 WEIGHT= 1.138730D+00 (bending) +ESC= 5.020830E+01 WEIGHT= 1.625800D-01 (SC local) +ETORS= 1.211619E+01 WEIGHT= 1.985990D+00 (torsional) +ETORSD= -1.989802E+00 WEIGHT= 1.570690D+00 (double torsional) +EHBP= 0.000000E+00 WEIGHT= 1.000000D+00 (SS bridges & dist. cnstr.) +ECORR4= -7.175321E+01 WEIGHT= 4.288700D-01 (multi-body) +ECORR5= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body) +ECORR6= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body) +EELLO= -3.799534E+00 WEIGHT= 1.603600D-01 (electrostatic-local) +ETURN3= 1.920286E+01 WEIGHT= 1.687220D+00 (turns, 3rd order) +ETURN4= -1.109910E+00 WEIGHT= 6.623000D-01 (turns, 4th order) +ETURN6= 0.000000E+00 WEIGHT= 0.000000D+00 (turns, 6th order) +ESCCOR= 0.000000E+00 WEIGHT= 0.000000D+00 (backbone-rotamer corr) +EDIHC= 0.000000E+00 (dihedral angle constraints) +ESS= 0.000000E+00 (disulfide-bridge intrinsic energy) +UCONST= 0.000000E+00 (Constraint energy) +EDFAD= 5.491269-315 (DFA distance energy) +EDFAT= 6.953158-310 (DFA torsion energy) +EDFAN= 6.953158-310 (DFA NCa energy) +EDFAB= 2.650815-317 (DFA Beta energy) +ETOT= -8.619624E+01 (total) +RMS deviation from the reference structure: 3.189 + % of native contacts: 33.333 + % of nonnative contacts: 77.778 + contact order: 0.333 + TM-score with the reference structure: 0.30 + Conformation # 17 read + + + Conformation # 14 sumsl return code 4 + +Virtual-chain energies: + +EVDW= -5.435598E+01 WEIGHT= 1.352790D+00 (SC-SC) +EVDW2= 5.746673E+01 WEIGHT= 1.593040D+00 (SC-p) +EES= -1.188868E+02 WEIGHT= 7.153400D-01 (p-p) +EVDWPP= -1.550369E+01 WEIGHT= 1.137100D-01 (p-p VDW) +ESTR= 0.000000E+00 WEIGHT= 1.000000D+00 (stretching) +EBE= -4.309544E+01 WEIGHT= 1.138730D+00 (bending) +ESC= 5.501581E+01 WEIGHT= 1.625800D-01 (SC local) +ETORS= 1.332449E+01 WEIGHT= 1.985990D+00 (torsional) +ETORSD= 1.706847E+00 WEIGHT= 1.570690D+00 (double torsional) +EHBP= 0.000000E+00 WEIGHT= 1.000000D+00 (SS bridges & dist. cnstr.) +ECORR4= -8.438464E+01 WEIGHT= 4.288700D-01 (multi-body) +ECORR5= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body) +ECORR6= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body) +EELLO= -2.386849E+00 WEIGHT= 1.603600D-01 (electrostatic-local) +ETURN3= 1.927296E+01 WEIGHT= 1.687220D+00 (turns, 3rd order) +ETURN4= -2.127999E+00 WEIGHT= 6.623000D-01 (turns, 4th order) +ETURN6= 0.000000E+00 WEIGHT= 0.000000D+00 (turns, 6th order) +ESCCOR= 0.000000E+00 WEIGHT= 0.000000D+00 (backbone-rotamer corr) +EDIHC= 0.000000E+00 (dihedral angle constraints) +ESS= 0.000000E+00 (disulfide-bridge intrinsic energy) +UCONST= 0.000000E+00 (Constraint energy) +EDFAD= 5.491269-315 (DFA distance energy) +EDFAT= 6.953158-310 (DFA torsion energy) +EDFAN= 6.953158-310 (DFA NCa energy) +EDFAB= 2.650815-317 (DFA Beta energy) +ETOT= -8.524364E+01 (total) +RMS deviation from the reference structure: 2.759 + % of native contacts: 25.000 + % of nonnative contacts: 85.714 + contact order: 0.284 + TM-score with the reference structure: 0.28 + Conformation # 18 read + + + Conformation # 10 sumsl return code 4 + +Virtual-chain energies: + +EVDW= -4.981905E+01 WEIGHT= 1.352790D+00 (SC-SC) +EVDW2= 4.887691E+01 WEIGHT= 1.593040D+00 (SC-p) +EES= -9.530715E+01 WEIGHT= 7.153400D-01 (p-p) +EVDWPP= -2.323506E+01 WEIGHT= 1.137100D-01 (p-p VDW) +ESTR= 0.000000E+00 WEIGHT= 1.000000D+00 (stretching) +EBE= -4.149720E+01 WEIGHT= 1.138730D+00 (bending) +ESC= 4.631020E+01 WEIGHT= 1.625800D-01 (SC local) +ETORS= 8.887848E+00 WEIGHT= 1.985990D+00 (torsional) +ETORSD= 3.522291E-01 WEIGHT= 1.570690D+00 (double torsional) +EHBP= 0.000000E+00 WEIGHT= 1.000000D+00 (SS bridges & dist. cnstr.) +ECORR4= -6.770895E+01 WEIGHT= 4.288700D-01 (multi-body) +ECORR5= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body) +ECORR6= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body) +EELLO= -2.963244E+00 WEIGHT= 1.603600D-01 (electrostatic-local) +ETURN3= 1.745600E+01 WEIGHT= 1.687220D+00 (turns, 3rd order) +ETURN4= -3.277685E+00 WEIGHT= 6.623000D-01 (turns, 4th order) +ETURN6= 0.000000E+00 WEIGHT= 0.000000D+00 (turns, 6th order) +ESCCOR= 0.000000E+00 WEIGHT= 0.000000D+00 (backbone-rotamer corr) +EDIHC= 0.000000E+00 (dihedral angle constraints) +ESS= 0.000000E+00 (disulfide-bridge intrinsic energy) +UCONST= 0.000000E+00 (Constraint energy) +EDFAD= 5.491269-315 (DFA distance energy) +EDFAT= 6.953158-310 (DFA torsion energy) +EDFAN= 6.953158-310 (DFA NCa energy) +EDFAB= 2.650815-317 (DFA Beta energy) +ETOT= -8.410371E+01 (total) +RMS deviation from the reference structure: 4.352 + % of native contacts: 33.333 + % of nonnative contacts: 80.000 + contact order: 0.314 + TM-score with the reference structure: 0.31 + Conformation # 19 read + + + Conformation # 6 sumsl return code 4 + +Virtual-chain energies: + +EVDW= -4.823637E+01 WEIGHT= 1.352790D+00 (SC-SC) +EVDW2= 5.043497E+01 WEIGHT= 1.593040D+00 (SC-p) +EES= -1.041185E+02 WEIGHT= 7.153400D-01 (p-p) +EVDWPP= -2.478391E+01 WEIGHT= 1.137100D-01 (p-p VDW) +ESTR= 0.000000E+00 WEIGHT= 1.000000D+00 (stretching) +EBE= -4.213669E+01 WEIGHT= 1.138730D+00 (bending) +ESC= 2.308211E+01 WEIGHT= 1.625800D-01 (SC local) +ETORS= 1.276850E+01 WEIGHT= 1.985990D+00 (torsional) +ETORSD= -2.275841E+00 WEIGHT= 1.570690D+00 (double torsional) +EHBP= 0.000000E+00 WEIGHT= 1.000000D+00 (SS bridges & dist. cnstr.) +ECORR4= -7.557997E+01 WEIGHT= 4.288700D-01 (multi-body) +ECORR5= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body) +ECORR6= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body) +EELLO= -9.440949E+00 WEIGHT= 1.603600D-01 (electrostatic-local) +ETURN3= 1.819141E+01 WEIGHT= 1.687220D+00 (turns, 3rd order) +ETURN4= 5.679845E+00 WEIGHT= 6.623000D-01 (turns, 4th order) +ETURN6= 0.000000E+00 WEIGHT= 0.000000D+00 (turns, 6th order) +ESCCOR= 0.000000E+00 WEIGHT= 0.000000D+00 (backbone-rotamer corr) +EDIHC= 0.000000E+00 (dihedral angle constraints) +ESS= 0.000000E+00 (disulfide-bridge intrinsic energy) +UCONST= 0.000000E+00 (Constraint energy) +EDFAD= 5.491269-315 (DFA distance energy) +EDFAT= 6.953158-310 (DFA torsion energy) +EDFAN= 6.953158-310 (DFA NCa energy) +EDFAB= 2.650815-317 (DFA Beta energy) +ETOT= -8.412650E+01 (total) +RMS deviation from the reference structure: 4.360 + % of native contacts: 41.667 + % of nonnative contacts: 76.190 + contact order: 0.340 + TM-score with the reference structure: 0.26 + Conformation # 20 read + + + Conformation # 18 sumsl return code 4 + +Virtual-chain energies: + +EVDW= -5.320903E+01 WEIGHT= 1.352790D+00 (SC-SC) +EVDW2= 4.265324E+01 WEIGHT= 1.593040D+00 (SC-p) +EES= -7.984191E+01 WEIGHT= 7.153400D-01 (p-p) +EVDWPP= -2.514152E+01 WEIGHT= 1.137100D-01 (p-p VDW) +ESTR= 0.000000E+00 WEIGHT= 1.000000D+00 (stretching) +EBE= -4.043931E+01 WEIGHT= 1.138730D+00 (bending) +ESC= 4.975010E+01 WEIGHT= 1.625800D-01 (SC local) +ETORS= 9.844163E+00 WEIGHT= 1.985990D+00 (torsional) +ETORSD= -3.039428E-01 WEIGHT= 1.570690D+00 (double torsional) +EHBP= 0.000000E+00 WEIGHT= 1.000000D+00 (SS bridges & dist. cnstr.) +ECORR4= -5.337439E+01 WEIGHT= 4.288700D-01 (multi-body) +ECORR5= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body) +ECORR6= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body) +EELLO= -5.043572E-01 WEIGHT= 1.603600D-01 (electrostatic-local) +ETURN3= 1.310750E+01 WEIGHT= 1.687220D+00 (turns, 3rd order) +ETURN4= -1.164680E+00 WEIGHT= 6.623000D-01 (turns, 4th order) +ETURN6= 0.000000E+00 WEIGHT= 0.000000D+00 (turns, 6th order) +ESCCOR= 0.000000E+00 WEIGHT= 0.000000D+00 (backbone-rotamer corr) +EDIHC= 0.000000E+00 (dihedral angle constraints) +ESS= 0.000000E+00 (disulfide-bridge intrinsic energy) +UCONST= 0.000000E+00 (Constraint energy) +EDFAD= 5.491269-315 (DFA distance energy) +EDFAT= 6.953158-310 (DFA torsion energy) +EDFAN= 6.953158-310 (DFA NCa energy) +EDFAB= 2.650815-317 (DFA Beta energy) +ETOT= -8.452105E+01 (total) +RMS deviation from the reference structure: 4.901 + % of native contacts: 16.667 + % of nonnative contacts: 88.889 + contact order: 0.354 + TM-score with the reference structure: 0.27 + Conformation # 21 read + + + Conformation # 19 sumsl return code 4 + +Virtual-chain energies: + +EVDW= -5.355968E+01 WEIGHT= 1.352790D+00 (SC-SC) +EVDW2= 5.202265E+01 WEIGHT= 1.593040D+00 (SC-p) +EES= -1.105238E+02 WEIGHT= 7.153400D-01 (p-p) +EVDWPP= -1.860241E+01 WEIGHT= 1.137100D-01 (p-p VDW) +ESTR= 0.000000E+00 WEIGHT= 1.000000D+00 (stretching) +EBE= -3.883534E+01 WEIGHT= 1.138730D+00 (bending) +ESC= 4.166351E+01 WEIGHT= 1.625800D-01 (SC local) +ETORS= 1.340612E+01 WEIGHT= 1.985990D+00 (torsional) +ETORSD= -2.521998E+00 WEIGHT= 1.570690D+00 (double torsional) +EHBP= 0.000000E+00 WEIGHT= 1.000000D+00 (SS bridges & dist. cnstr.) +ECORR4= -8.293655E+01 WEIGHT= 4.288700D-01 (multi-body) +ECORR5= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body) +ECORR6= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body) +EELLO= -3.693420E+00 WEIGHT= 1.603600D-01 (electrostatic-local) +ETURN3= 2.130382E+01 WEIGHT= 1.687220D+00 (turns, 3rd order) +ETURN4= -5.424474E-01 WEIGHT= 6.623000D-01 (turns, 4th order) +ETURN6= 0.000000E+00 WEIGHT= 0.000000D+00 (turns, 6th order) +ESCCOR= 0.000000E+00 WEIGHT= 0.000000D+00 (backbone-rotamer corr) +EDIHC= 0.000000E+00 (dihedral angle constraints) +ESS= 0.000000E+00 (disulfide-bridge intrinsic energy) +UCONST= 0.000000E+00 (Constraint energy) +EDFAD= 5.491269-315 (DFA distance energy) +EDFAT= 6.953158-310 (DFA torsion energy) +EDFAN= 6.953158-310 (DFA NCa energy) +EDFAB= 2.650815-317 (DFA Beta energy) +ETOT= -8.612065E+01 (total) +RMS deviation from the reference structure: 2.066 + % of native contacts: 41.667 + % of nonnative contacts: 73.684 + contact order: 0.321 + TM-score with the reference structure: 0.30 + Conformation # 22 read + + + Conformation # 15 sumsl return code 4 + +Virtual-chain energies: + +EVDW= -5.393971E+01 WEIGHT= 1.352790D+00 (SC-SC) +EVDW2= 4.119798E+01 WEIGHT= 1.593040D+00 (SC-p) +EES= -6.697123E+01 WEIGHT= 7.153400D-01 (p-p) +EVDWPP= -3.107123E+01 WEIGHT= 1.137100D-01 (p-p VDW) +ESTR= 0.000000E+00 WEIGHT= 1.000000D+00 (stretching) +EBE= -3.782482E+01 WEIGHT= 1.138730D+00 (bending) +ESC= 4.791055E+01 WEIGHT= 1.625800D-01 (SC local) +ETORS= 5.046919E+00 WEIGHT= 1.985990D+00 (torsional) +ETORSD= -1.223048E+00 WEIGHT= 1.570690D+00 (double torsional) +EHBP= 0.000000E+00 WEIGHT= 1.000000D+00 (SS bridges & dist. cnstr.) +ECORR4= -4.759077E+01 WEIGHT= 4.288700D-01 (multi-body) +ECORR5= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body) +ECORR6= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body) +EELLO= -2.842830E+00 WEIGHT= 1.603600D-01 (electrostatic-local) +ETURN3= 1.337713E+01 WEIGHT= 1.687220D+00 (turns, 3rd order) +ETURN4= -1.286381E+00 WEIGHT= 6.623000D-01 (turns, 4th order) +ETURN6= 0.000000E+00 WEIGHT= 0.000000D+00 (turns, 6th order) +ESCCOR= 0.000000E+00 WEIGHT= 0.000000D+00 (backbone-rotamer corr) +EDIHC= 0.000000E+00 (dihedral angle constraints) +ESS= 0.000000E+00 (disulfide-bridge intrinsic energy) +UCONST= 0.000000E+00 (Constraint energy) +EDFAD= 5.491269-315 (DFA distance energy) +EDFAT= 6.953158-310 (DFA torsion energy) +EDFAN= 6.953158-310 (DFA NCa energy) +EDFAB= 2.650815-317 (DFA Beta energy) +ETOT= -8.510817E+01 (total) +RMS deviation from the reference structure: 5.534 + % of native contacts: 16.667 + % of nonnative contacts: 88.889 + contact order: 0.364 + TM-score with the reference structure: 0.22 + Conformation # 23 read + + + Conformation # 16 sumsl return code 4 + +Virtual-chain energies: + +EVDW= -5.178581E+01 WEIGHT= 1.352790D+00 (SC-SC) +EVDW2= 4.899764E+01 WEIGHT= 1.593040D+00 (SC-p) +EES= -1.022824E+02 WEIGHT= 7.153400D-01 (p-p) +EVDWPP= -2.355912E+01 WEIGHT= 1.137100D-01 (p-p VDW) +ESTR= 0.000000E+00 WEIGHT= 1.000000D+00 (stretching) +EBE= -3.973775E+01 WEIGHT= 1.138730D+00 (bending) +ESC= 4.925084E+01 WEIGHT= 1.625800D-01 (SC local) +ETORS= 1.045547E+01 WEIGHT= 1.985990D+00 (torsional) +ETORSD= 1.030940E+00 WEIGHT= 1.570690D+00 (double torsional) +EHBP= 0.000000E+00 WEIGHT= 1.000000D+00 (SS bridges & dist. cnstr.) +ECORR4= -7.143612E+01 WEIGHT= 4.288700D-01 (multi-body) +ECORR5= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body) +ECORR6= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body) +EELLO= -3.207441E+00 WEIGHT= 1.603600D-01 (electrostatic-local) +ETURN3= 1.751181E+01 WEIGHT= 1.687220D+00 (turns, 3rd order) +ETURN4= -3.219025E+00 WEIGHT= 6.623000D-01 (turns, 4th order) +ETURN6= 0.000000E+00 WEIGHT= 0.000000D+00 (turns, 6th order) +ESCCOR= 0.000000E+00 WEIGHT= 0.000000D+00 (backbone-rotamer corr) +EDIHC= 0.000000E+00 (dihedral angle constraints) +ESS= 0.000000E+00 (disulfide-bridge intrinsic energy) +UCONST= 0.000000E+00 (Constraint energy) +EDFAD= 5.491269-315 (DFA distance energy) +EDFAT= 6.953158-310 (DFA torsion energy) +EDFAN= 6.953158-310 (DFA NCa energy) +EDFAB= 2.650815-317 (DFA Beta energy) +ETOT= -8.644219E+01 (total) +RMS deviation from the reference structure: 3.751 + % of native contacts: 41.667 + % of nonnative contacts: 72.222 + contact order: 0.280 + TM-score with the reference structure: 0.35 + Conformation # 24 read + + + Conformation # 21 sumsl return code 4 + +Virtual-chain energies: + +EVDW= -5.209547E+01 WEIGHT= 1.352790D+00 (SC-SC) +EVDW2= 4.960598E+01 WEIGHT= 1.593040D+00 (SC-p) +EES= -1.007532E+02 WEIGHT= 7.153400D-01 (p-p) +EVDWPP= -3.312577E+01 WEIGHT= 1.137100D-01 (p-p VDW) +ESTR= 0.000000E+00 WEIGHT= 1.000000D+00 (stretching) +EBE= -3.692262E+01 WEIGHT= 1.138730D+00 (bending) +ESC= 4.668591E+01 WEIGHT= 1.625800D-01 (SC local) +ETORS= 9.319555E+00 WEIGHT= 1.985990D+00 (torsional) +ETORSD= 7.202522E-01 WEIGHT= 1.570690D+00 (double torsional) +EHBP= 0.000000E+00 WEIGHT= 1.000000D+00 (SS bridges & dist. cnstr.) +ECORR4= -7.522025E+01 WEIGHT= 4.288700D-01 (multi-body) +ECORR5= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body) +ECORR6= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body) +EELLO= -5.412357E+00 WEIGHT= 1.603600D-01 (electrostatic-local) +ETURN3= 1.859969E+01 WEIGHT= 1.687220D+00 (turns, 3rd order) +ETURN4= -3.150648E+00 WEIGHT= 6.623000D-01 (turns, 4th order) +ETURN6= 0.000000E+00 WEIGHT= 0.000000D+00 (turns, 6th order) +ESCCOR= 0.000000E+00 WEIGHT= 0.000000D+00 (backbone-rotamer corr) +EDIHC= 0.000000E+00 (dihedral angle constraints) +ESS= 0.000000E+00 (disulfide-bridge intrinsic energy) +UCONST= 0.000000E+00 (Constraint energy) +EDFAD= 5.491269-315 (DFA distance energy) +EDFAT= 6.953158-310 (DFA torsion energy) +EDFAN= 6.953158-310 (DFA NCa energy) +EDFAB= 2.650815-317 (DFA Beta energy) +ETOT= -8.593686E+01 (total) +RMS deviation from the reference structure: 3.048 + % of native contacts: 41.667 + % of nonnative contacts: 72.222 + contact order: 0.308 + TM-score with the reference structure: 0.30 + Conformation # 25 read + + + Conformation # 24 sumsl return code 4 + +Virtual-chain energies: + +EVDW= -5.959887E+01 WEIGHT= 1.352790D+00 (SC-SC) +EVDW2= 5.259419E+01 WEIGHT= 1.593040D+00 (SC-p) +EES= -1.036390E+02 WEIGHT= 7.153400D-01 (p-p) +EVDWPP= -2.768958E+01 WEIGHT= 1.137100D-01 (p-p VDW) +ESTR= 0.000000E+00 WEIGHT= 1.000000D+00 (stretching) +EBE= -3.730950E+01 WEIGHT= 1.138730D+00 (bending) +ESC= 5.379161E+01 WEIGHT= 1.625800D-01 (SC local) +ETORS= 1.228088E+01 WEIGHT= 1.985990D+00 (torsional) +ETORSD= -2.606335E+00 WEIGHT= 1.570690D+00 (double torsional) +EHBP= 0.000000E+00 WEIGHT= 1.000000D+00 (SS bridges & dist. cnstr.) +ECORR4= -8.016506E+01 WEIGHT= 4.288700D-01 (multi-body) +ECORR5= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body) +ECORR6= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body) +EELLO= -5.103705E+00 WEIGHT= 1.603600D-01 (electrostatic-local) +ETURN3= 1.889639E+01 WEIGHT= 1.687220D+00 (turns, 3rd order) +ETURN4= 1.885530E-01 WEIGHT= 6.623000D-01 (turns, 4th order) +ETURN6= 0.000000E+00 WEIGHT= 0.000000D+00 (turns, 6th order) +ESCCOR= 0.000000E+00 WEIGHT= 0.000000D+00 (backbone-rotamer corr) +EDIHC= 0.000000E+00 (dihedral angle constraints) +ESS= 0.000000E+00 (disulfide-bridge intrinsic energy) +UCONST= 0.000000E+00 (Constraint energy) +EDFAD= 5.491269-315 (DFA distance energy) +EDFAT= 6.953158-310 (DFA torsion energy) +EDFAN= 6.953158-310 (DFA NCa energy) +EDFAB= 2.650815-317 (DFA Beta energy) +ETOT= -9.076142E+01 (total) +RMS deviation from the reference structure: 2.745 + % of native contacts: 50.000 + % of nonnative contacts: 73.913 + contact order: 0.362 + TM-score with the reference structure: 0.32 + Conformation # 26 read + + + Conformation # 17 sumsl return code 4 + +Virtual-chain energies: + +EVDW= -5.235103E+01 WEIGHT= 1.352790D+00 (SC-SC) +EVDW2= 4.749328E+01 WEIGHT= 1.593040D+00 (SC-p) +EES= -9.670471E+01 WEIGHT= 7.153400D-01 (p-p) +EVDWPP= -2.194073E+01 WEIGHT= 1.137100D-01 (p-p VDW) +ESTR= 0.000000E+00 WEIGHT= 1.000000D+00 (stretching) +EBE= -3.858333E+01 WEIGHT= 1.138730D+00 (bending) +ESC= 2.961369E+01 WEIGHT= 1.625800D-01 (SC local) +ETORS= 1.220687E+01 WEIGHT= 1.985990D+00 (torsional) +ETORSD= -2.575766E+00 WEIGHT= 1.570690D+00 (double torsional) +EHBP= 0.000000E+00 WEIGHT= 1.000000D+00 (SS bridges & dist. cnstr.) +ECORR4= -7.013102E+01 WEIGHT= 4.288700D-01 (multi-body) +ECORR5= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body) +ECORR6= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body) +EELLO= -2.186376E-01 WEIGHT= 1.603600D-01 (electrostatic-local) +ETURN3= 1.709036E+01 WEIGHT= 1.687220D+00 (turns, 3rd order) +ETURN4= 1.631072E+00 WEIGHT= 6.623000D-01 (turns, 4th order) +ETURN6= 0.000000E+00 WEIGHT= 0.000000D+00 (turns, 6th order) +ESCCOR= 0.000000E+00 WEIGHT= 0.000000D+00 (backbone-rotamer corr) +EDIHC= 0.000000E+00 (dihedral angle constraints) +ESS= 0.000000E+00 (disulfide-bridge intrinsic energy) +UCONST= 0.000000E+00 (Constraint energy) +EDFAD= 5.491269-315 (DFA distance energy) +EDFAT= 6.953158-310 (DFA torsion energy) +EDFAN= 6.953158-310 (DFA NCa energy) +EDFAB= 2.650815-317 (DFA Beta energy) +ETOT= -8.595398E+01 (total) +RMS deviation from the reference structure: 3.547 + % of native contacts: 41.667 + % of nonnative contacts: 77.273 + contact order: 0.372 + TM-score with the reference structure: 0.29 + Conformation # 27 read + + + Conformation # 20 sumsl return code 4 + +Virtual-chain energies: + +EVDW= -5.712491E+01 WEIGHT= 1.352790D+00 (SC-SC) +EVDW2= 5.358028E+01 WEIGHT= 1.593040D+00 (SC-p) +EES= -1.023690E+02 WEIGHT= 7.153400D-01 (p-p) +EVDWPP= -3.246488E+01 WEIGHT= 1.137100D-01 (p-p VDW) +ESTR= 0.000000E+00 WEIGHT= 1.000000D+00 (stretching) +EBE= -3.627658E+01 WEIGHT= 1.138730D+00 (bending) +ESC= 4.396225E+01 WEIGHT= 1.625800D-01 (SC local) +ETORS= 1.207184E+01 WEIGHT= 1.985990D+00 (torsional) +ETORSD= -3.068193E+00 WEIGHT= 1.570690D+00 (double torsional) +EHBP= 0.000000E+00 WEIGHT= 1.000000D+00 (SS bridges & dist. cnstr.) +ECORR4= -8.012362E+01 WEIGHT= 4.288700D-01 (multi-body) +ECORR5= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body) +ECORR6= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body) +EELLO= -8.833236E+00 WEIGHT= 1.603600D-01 (electrostatic-local) +ETURN3= 1.858513E+01 WEIGHT= 1.687220D+00 (turns, 3rd order) +ETURN4= 2.893610E+00 WEIGHT= 6.623000D-01 (turns, 4th order) +ETURN6= 0.000000E+00 WEIGHT= 0.000000D+00 (turns, 6th order) +ESCCOR= 0.000000E+00 WEIGHT= 0.000000D+00 (backbone-rotamer corr) +EDIHC= 0.000000E+00 (dihedral angle constraints) +ESS= 0.000000E+00 (disulfide-bridge intrinsic energy) +UCONST= 0.000000E+00 (Constraint energy) +EDFAD= 5.491269-315 (DFA distance energy) +EDFAT= 6.953158-310 (DFA torsion energy) +EDFAN= 6.953158-310 (DFA NCa energy) +EDFAB= 2.650815-317 (DFA Beta energy) +ETOT= -8.635467E+01 (total) +RMS deviation from the reference structure: 3.133 + % of native contacts: 41.667 + % of nonnative contacts: 76.190 + contact order: 0.377 + TM-score with the reference structure: 0.34 + Conformation # 28 read + + + Conformation # 26 sumsl return code 4 + +Virtual-chain energies: + +EVDW= -4.966943E+01 WEIGHT= 1.352790D+00 (SC-SC) +EVDW2= 4.446479E+01 WEIGHT= 1.593040D+00 (SC-p) +EES= -8.230876E+01 WEIGHT= 7.153400D-01 (p-p) +EVDWPP= -3.845007E+01 WEIGHT= 1.137100D-01 (p-p VDW) +ESTR= 0.000000E+00 WEIGHT= 1.000000D+00 (stretching) +EBE= -3.848795E+01 WEIGHT= 1.138730D+00 (bending) +ESC= 3.563903E+01 WEIGHT= 1.625800D-01 (SC local) +ETORS= 7.357351E+00 WEIGHT= 1.985990D+00 (torsional) +ETORSD= 2.882131E+00 WEIGHT= 1.570690D+00 (double torsional) +EHBP= 0.000000E+00 WEIGHT= 1.000000D+00 (SS bridges & dist. cnstr.) +ECORR4= -5.997400E+01 WEIGHT= 4.288700D-01 (multi-body) +ECORR5= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body) +ECORR6= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body) +EELLO= -4.754856E+00 WEIGHT= 1.603600D-01 (electrostatic-local) +ETURN3= 1.339753E+01 WEIGHT= 1.687220D+00 (turns, 3rd order) +ETURN4= -6.125247E+00 WEIGHT= 6.623000D-01 (turns, 4th order) +ETURN6= 0.000000E+00 WEIGHT= 0.000000D+00 (turns, 6th order) +ESCCOR= 0.000000E+00 WEIGHT= 0.000000D+00 (backbone-rotamer corr) +EDIHC= 0.000000E+00 (dihedral angle constraints) +ESS= 0.000000E+00 (disulfide-bridge intrinsic energy) +UCONST= 0.000000E+00 (Constraint energy) +EDFAD= 5.491269-315 (DFA distance energy) +EDFAT= 6.953158-310 (DFA torsion energy) +EDFAN= 6.953158-310 (DFA NCa energy) +EDFAB= 2.650815-317 (DFA Beta energy) +ETOT= -8.643936E+01 (total) +RMS deviation from the reference structure: 3.024 + % of native contacts: 41.667 + % of nonnative contacts: 77.273 + contact order: 0.343 + TM-score with the reference structure: 0.26 + Conformation # 29 read + + + Conformation # 22 sumsl return code 4 + +Virtual-chain energies: + +EVDW= -5.095490E+01 WEIGHT= 1.352790D+00 (SC-SC) +EVDW2= 5.112544E+01 WEIGHT= 1.593040D+00 (SC-p) +EES= -1.033653E+02 WEIGHT= 7.153400D-01 (p-p) +EVDWPP= -2.049796E+01 WEIGHT= 1.137100D-01 (p-p VDW) +ESTR= 0.000000E+00 WEIGHT= 1.000000D+00 (stretching) +EBE= -3.929489E+01 WEIGHT= 1.138730D+00 (bending) +ESC= 3.705659E+01 WEIGHT= 1.625800D-01 (SC local) +ETORS= 1.206529E+01 WEIGHT= 1.985990D+00 (torsional) +ETORSD= -2.136614E+00 WEIGHT= 1.570690D+00 (double torsional) +EHBP= 0.000000E+00 WEIGHT= 1.000000D+00 (SS bridges & dist. cnstr.) +ECORR4= -7.597056E+01 WEIGHT= 4.288700D-01 (multi-body) +ECORR5= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body) +ECORR6= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body) +EELLO= -1.526397E+00 WEIGHT= 1.603600D-01 (electrostatic-local) +ETURN3= 1.713811E+01 WEIGHT= 1.687220D+00 (turns, 3rd order) +ETURN4= -1.676851E+00 WEIGHT= 6.623000D-01 (turns, 4th order) +ETURN6= 0.000000E+00 WEIGHT= 0.000000D+00 (turns, 6th order) +ESCCOR= 0.000000E+00 WEIGHT= 0.000000D+00 (backbone-rotamer corr) +EDIHC= 0.000000E+00 (dihedral angle constraints) +ESS= 0.000000E+00 (disulfide-bridge intrinsic energy) +UCONST= 0.000000E+00 (Constraint energy) +EDFAD= 5.491269-315 (DFA distance energy) +EDFAT= 6.953158-310 (DFA torsion energy) +EDFAN= 6.953158-310 (DFA NCa energy) +EDFAB= 2.650815-317 (DFA Beta energy) +ETOT= -8.689564E+01 (total) +RMS deviation from the reference structure: 4.042 + % of native contacts: 25.000 + % of nonnative contacts: 86.364 + contact order: 0.355 + TM-score with the reference structure: 0.31 + Conformation # 30 read + + + Conformation # 25 sumsl return code 4 + +Virtual-chain energies: + +EVDW= -5.446035E+01 WEIGHT= 1.352790D+00 (SC-SC) +EVDW2= 4.539208E+01 WEIGHT= 1.593040D+00 (SC-p) +EES= -7.761378E+01 WEIGHT= 7.153400D-01 (p-p) +EVDWPP= -4.074882E+01 WEIGHT= 1.137100D-01 (p-p VDW) +ESTR= 0.000000E+00 WEIGHT= 1.000000D+00 (stretching) +EBE= -3.583179E+01 WEIGHT= 1.138730D+00 (bending) +ESC= 4.395832E+01 WEIGHT= 1.625800D-01 (SC local) +ETORS= 5.728579E+00 WEIGHT= 1.985990D+00 (torsional) +ETORSD= 9.396842E-01 WEIGHT= 1.570690D+00 (double torsional) +EHBP= 0.000000E+00 WEIGHT= 1.000000D+00 (SS bridges & dist. cnstr.) +ECORR4= -5.664059E+01 WEIGHT= 4.288700D-01 (multi-body) +ECORR5= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body) +ECORR6= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body) +EELLO= -4.264020E+00 WEIGHT= 1.603600D-01 (electrostatic-local) +ETURN3= 1.267235E+01 WEIGHT= 1.687220D+00 (turns, 3rd order) +ETURN4= -2.607153E+00 WEIGHT= 6.623000D-01 (turns, 4th order) +ETURN6= 0.000000E+00 WEIGHT= 0.000000D+00 (turns, 6th order) +ESCCOR= 0.000000E+00 WEIGHT= 0.000000D+00 (backbone-rotamer corr) +EDIHC= 0.000000E+00 (dihedral angle constraints) +ESS= 0.000000E+00 (disulfide-bridge intrinsic energy) +UCONST= 0.000000E+00 (Constraint energy) +EDFAD= 5.491269-315 (DFA distance energy) +EDFAT= 6.953158-310 (DFA torsion energy) +EDFAN= 6.953158-310 (DFA NCa energy) +EDFAB= 2.650815-317 (DFA Beta energy) +ETOT= -8.763985E+01 (total) +RMS deviation from the reference structure: 4.183 + % of native contacts: 58.333 + % of nonnative contacts: 68.182 + contact order: 0.424 + TM-score with the reference structure: 0.25 + Conformation # 31 read + + + Conformation # 30 sumsl return code 4 + +Virtual-chain energies: + +EVDW= -5.148083E+01 WEIGHT= 1.352790D+00 (SC-SC) +EVDW2= 4.919638E+01 WEIGHT= 1.593040D+00 (SC-p) +EES= -1.012524E+02 WEIGHT= 7.153400D-01 (p-p) +EVDWPP= -1.945164E+01 WEIGHT= 1.137100D-01 (p-p VDW) +ESTR= 0.000000E+00 WEIGHT= 1.000000D+00 (stretching) +EBE= -4.129858E+01 WEIGHT= 1.138730D+00 (bending) +ESC= 4.837667E+01 WEIGHT= 1.625800D-01 (SC local) +ETORS= 9.795962E+00 WEIGHT= 1.985990D+00 (torsional) +ETORSD= -1.690453E+00 WEIGHT= 1.570690D+00 (double torsional) +EHBP= 0.000000E+00 WEIGHT= 1.000000D+00 (SS bridges & dist. cnstr.) +ECORR4= -7.350380E+01 WEIGHT= 4.288700D-01 (multi-body) +ECORR5= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body) +ECORR6= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body) +EELLO= -1.266637E+00 WEIGHT= 1.603600D-01 (electrostatic-local) +ETURN3= 2.042621E+01 WEIGHT= 1.687220D+00 (turns, 3rd order) +ETURN4= -1.045593E+00 WEIGHT= 6.623000D-01 (turns, 4th order) +ETURN6= 0.000000E+00 WEIGHT= 0.000000D+00 (turns, 6th order) +ESCCOR= 0.000000E+00 WEIGHT= 0.000000D+00 (backbone-rotamer corr) +EDIHC= 0.000000E+00 (dihedral angle constraints) +ESS= 0.000000E+00 (disulfide-bridge intrinsic energy) +UCONST= 0.000000E+00 (Constraint energy) +EDFAD= 5.491269-315 (DFA distance energy) +EDFAT= 6.953158-310 (DFA torsion energy) +EDFAN= 6.953158-310 (DFA NCa energy) +EDFAB= 2.650815-317 (DFA Beta energy) +ETOT= -8.623175E+01 (total) +RMS deviation from the reference structure: 4.179 + % of native contacts: 41.667 + % of nonnative contacts: 76.190 + contact order: 0.301 + TM-score with the reference structure: 0.29 + Conformation # 32 read + + + Conformation # 27 sumsl return code 4 + +Virtual-chain energies: + +EVDW= -5.566753E+01 WEIGHT= 1.352790D+00 (SC-SC) +EVDW2= 5.517394E+01 WEIGHT= 1.593040D+00 (SC-p) +EES= -1.058416E+02 WEIGHT= 7.153400D-01 (p-p) +EVDWPP= -1.988803E+01 WEIGHT= 1.137100D-01 (p-p VDW) +ESTR= 0.000000E+00 WEIGHT= 1.000000D+00 (stretching) +EBE= -3.773549E+01 WEIGHT= 1.138730D+00 (bending) +ESC= 4.458700E+01 WEIGHT= 1.625800D-01 (SC local) +ETORS= 1.060499E+01 WEIGHT= 1.985990D+00 (torsional) +ETORSD= 2.037703E+00 WEIGHT= 1.570690D+00 (double torsional) +EHBP= 0.000000E+00 WEIGHT= 1.000000D+00 (SS bridges & dist. cnstr.) +ECORR4= -7.367488E+01 WEIGHT= 4.288700D-01 (multi-body) +ECORR5= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body) +ECORR6= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body) +EELLO= 1.339849E+00 WEIGHT= 1.603600D-01 (electrostatic-local) +ETURN3= 1.580666E+01 WEIGHT= 1.687220D+00 (turns, 3rd order) +ETURN4= -4.287983E+00 WEIGHT= 6.623000D-01 (turns, 4th order) +ETURN6= 0.000000E+00 WEIGHT= 0.000000D+00 (turns, 6th order) +ESCCOR= 0.000000E+00 WEIGHT= 0.000000D+00 (backbone-rotamer corr) +EDIHC= 0.000000E+00 (dihedral angle constraints) +ESS= 0.000000E+00 (disulfide-bridge intrinsic energy) +UCONST= 0.000000E+00 (Constraint energy) +EDFAD= 5.491269-315 (DFA distance energy) +EDFAT= 6.953158-310 (DFA torsion energy) +EDFAN= 6.953158-310 (DFA NCa energy) +EDFAB= 2.650815-317 (DFA Beta energy) +ETOT= -8.439862E+01 (total) +RMS deviation from the reference structure: 3.767 + % of native contacts: 25.000 + % of nonnative contacts: 86.364 + contact order: 0.353 + TM-score with the reference structure: 0.27 + Conformation # 33 read + + + Conformation # 23 sumsl return code 4 + +Virtual-chain energies: + +EVDW= -5.151114E+01 WEIGHT= 1.352790D+00 (SC-SC) +EVDW2= 5.421244E+01 WEIGHT= 1.593040D+00 (SC-p) +EES= -1.191587E+02 WEIGHT= 7.153400D-01 (p-p) +EVDWPP= -1.098248E+01 WEIGHT= 1.137100D-01 (p-p VDW) +ESTR= 0.000000E+00 WEIGHT= 1.000000D+00 (stretching) +EBE= -4.122926E+01 WEIGHT= 1.138730D+00 (bending) +ESC= 3.963812E+01 WEIGHT= 1.625800D-01 (SC local) +ETORS= 1.456210E+01 WEIGHT= 1.985990D+00 (torsional) +ETORSD= -9.609385E-01 WEIGHT= 1.570690D+00 (double torsional) +EHBP= 0.000000E+00 WEIGHT= 1.000000D+00 (SS bridges & dist. cnstr.) +ECORR4= -8.853870E+01 WEIGHT= 4.288700D-01 (multi-body) +ECORR5= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body) +ECORR6= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body) +EELLO= -4.469015E-01 WEIGHT= 1.603600D-01 (electrostatic-local) +ETURN3= 2.007029E+01 WEIGHT= 1.687220D+00 (turns, 3rd order) +ETURN4= 6.260857E-01 WEIGHT= 6.623000D-01 (turns, 4th order) +ETURN6= 0.000000E+00 WEIGHT= 0.000000D+00 (turns, 6th order) +ESCCOR= 0.000000E+00 WEIGHT= 0.000000D+00 (backbone-rotamer corr) +EDIHC= 0.000000E+00 (dihedral angle constraints) +ESS= 0.000000E+00 (disulfide-bridge intrinsic energy) +UCONST= 0.000000E+00 (Constraint energy) +EDFAD= 5.491269-315 (DFA distance energy) +EDFAT= 6.953158-310 (DFA torsion energy) +EDFAN= 6.953158-310 (DFA NCa energy) +EDFAB= 2.650815-317 (DFA Beta energy) +ETOT= -8.666835E+01 (total) +RMS deviation from the reference structure: 1.656 + % of native contacts: 66.667 + % of nonnative contacts: 61.905 + contact order: 0.288 + TM-score with the reference structure: 0.33 + Conformation # 34 read + + + Conformation # 32 sumsl return code 4 + +Virtual-chain energies: + +EVDW= -5.386177E+01 WEIGHT= 1.352790D+00 (SC-SC) +EVDW2= 4.358034E+01 WEIGHT= 1.593040D+00 (SC-p) +EES= -8.529005E+01 WEIGHT= 7.153400D-01 (p-p) +EVDWPP= -1.630550E+01 WEIGHT= 1.137100D-01 (p-p VDW) +ESTR= 0.000000E+00 WEIGHT= 1.000000D+00 (stretching) +EBE= -3.952087E+01 WEIGHT= 1.138730D+00 (bending) +ESC= 4.102800E+01 WEIGHT= 1.625800D-01 (SC local) +ETORS= 1.013799E+01 WEIGHT= 1.985990D+00 (torsional) +ETORSD= -8.097761E-01 WEIGHT= 1.570690D+00 (double torsional) +EHBP= 0.000000E+00 WEIGHT= 1.000000D+00 (SS bridges & dist. cnstr.) +ECORR4= -6.343370E+01 WEIGHT= 4.288700D-01 (multi-body) +ECORR5= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body) +ECORR6= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body) +EELLO= -3.398494E+00 WEIGHT= 1.603600D-01 (electrostatic-local) +ETURN3= 1.752346E+01 WEIGHT= 1.687220D+00 (turns, 3rd order) +ETURN4= -3.399737E+00 WEIGHT= 6.623000D-01 (turns, 4th order) +ETURN6= 0.000000E+00 WEIGHT= 0.000000D+00 (turns, 6th order) +ESCCOR= 0.000000E+00 WEIGHT= 0.000000D+00 (backbone-rotamer corr) +EDIHC= 0.000000E+00 (dihedral angle constraints) +ESS= 0.000000E+00 (disulfide-bridge intrinsic energy) +UCONST= 0.000000E+00 (Constraint energy) +EDFAD= 5.491269-315 (DFA distance energy) +EDFAT= 6.953158-310 (DFA torsion energy) +EDFAN= 6.953158-310 (DFA NCa energy) +EDFAB= 2.650815-317 (DFA Beta energy) +ETOT= -8.621067E+01 (total) +RMS deviation from the reference structure: 4.884 + % of native contacts: 33.333 + % of nonnative contacts: 80.000 + contact order: 0.307 + TM-score with the reference structure: 0.30 + Conformation # 35 read + + + Conformation # 31 sumsl return code 4 + +Virtual-chain energies: + +EVDW= -4.757403E+01 WEIGHT= 1.352790D+00 (SC-SC) +EVDW2= 3.776098E+01 WEIGHT= 1.593040D+00 (SC-p) +EES= -7.490258E+01 WEIGHT= 7.153400D-01 (p-p) +EVDWPP= -2.951580E+01 WEIGHT= 1.137100D-01 (p-p VDW) +ESTR= 0.000000E+00 WEIGHT= 1.000000D+00 (stretching) +EBE= -4.045533E+01 WEIGHT= 1.138730D+00 (bending) +ESC= 3.454962E+01 WEIGHT= 1.625800D-01 (SC local) +ETORS= 8.451787E+00 WEIGHT= 1.985990D+00 (torsional) +ETORSD= -1.248463E+00 WEIGHT= 1.570690D+00 (double torsional) +EHBP= 0.000000E+00 WEIGHT= 1.000000D+00 (SS bridges & dist. cnstr.) +ECORR4= -5.417918E+01 WEIGHT= 4.288700D-01 (multi-body) +ECORR5= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body) +ECORR6= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body) +EELLO= 1.548068E+00 WEIGHT= 1.603600D-01 (electrostatic-local) +ETURN3= 1.704547E+01 WEIGHT= 1.687220D+00 (turns, 3rd order) +ETURN4= -4.132449E+00 WEIGHT= 6.623000D-01 (turns, 4th order) +ETURN6= 0.000000E+00 WEIGHT= 0.000000D+00 (turns, 6th order) +ESCCOR= 0.000000E+00 WEIGHT= 0.000000D+00 (backbone-rotamer corr) +EDIHC= 0.000000E+00 (dihedral angle constraints) +ESS= 0.000000E+00 (disulfide-bridge intrinsic energy) +UCONST= 0.000000E+00 (Constraint energy) +EDFAD= 5.491269-315 (DFA distance energy) +EDFAT= 6.953158-310 (DFA torsion energy) +EDFAN= 6.953158-310 (DFA NCa energy) +EDFAB= 2.650815-317 (DFA Beta energy) +ETOT= -8.373142E+01 (total) +RMS deviation from the reference structure: 3.878 + % of native contacts: 33.333 + % of nonnative contacts: 75.000 + contact order: 0.298 + TM-score with the reference structure: 0.32 + Conformation # 36 read + + + Conformation # 33 sumsl return code 4 + +Virtual-chain energies: + +EVDW= -5.579419E+01 WEIGHT= 1.352790D+00 (SC-SC) +EVDW2= 4.656001E+01 WEIGHT= 1.593040D+00 (SC-p) +EES= -9.320710E+01 WEIGHT= 7.153400D-01 (p-p) +EVDWPP= -3.039375E+01 WEIGHT= 1.137100D-01 (p-p VDW) +ESTR= 0.000000E+00 WEIGHT= 1.000000D+00 (stretching) +EBE= -3.966957E+01 WEIGHT= 1.138730D+00 (bending) +ESC= 5.203819E+01 WEIGHT= 1.625800D-01 (SC local) +ETORS= 1.061114E+01 WEIGHT= 1.985990D+00 (torsional) +ETORSD= 9.059798E-01 WEIGHT= 1.570690D+00 (double torsional) +EHBP= 0.000000E+00 WEIGHT= 1.000000D+00 (SS bridges & dist. cnstr.) +ECORR4= -6.987199E+01 WEIGHT= 4.288700D-01 (multi-body) +ECORR5= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body) +ECORR6= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body) +EELLO= 3.920321E-01 WEIGHT= 1.603600D-01 (electrostatic-local) +ETURN3= 1.865457E+01 WEIGHT= 1.687220D+00 (turns, 3rd order) +ETURN4= -3.243262E+00 WEIGHT= 6.623000D-01 (turns, 4th order) +ETURN6= 0.000000E+00 WEIGHT= 0.000000D+00 (turns, 6th order) +ESCCOR= 0.000000E+00 WEIGHT= 0.000000D+00 (backbone-rotamer corr) +EDIHC= 0.000000E+00 (dihedral angle constraints) +ESS= 0.000000E+00 (disulfide-bridge intrinsic energy) +UCONST= 0.000000E+00 (Constraint energy) +EDFAD= 5.491269-315 (DFA distance energy) +EDFAT= 6.953158-310 (DFA torsion energy) +EDFAN= 6.953158-310 (DFA NCa energy) +EDFAB= 2.650815-317 (DFA Beta energy) +ETOT= -8.622940E+01 (total) +RMS deviation from the reference structure: 2.901 + % of native contacts: 41.667 + % of nonnative contacts: 76.190 + contact order: 0.364 + TM-score with the reference structure: 0.28 + Conformation # 37 read + + + Conformation # 35 sumsl return code 4 + +Virtual-chain energies: + +EVDW= -5.175155E+01 WEIGHT= 1.352790D+00 (SC-SC) +EVDW2= 4.468048E+01 WEIGHT= 1.593040D+00 (SC-p) +EES= -8.926762E+01 WEIGHT= 7.153400D-01 (p-p) +EVDWPP= -1.161758E+01 WEIGHT= 1.137100D-01 (p-p VDW) +ESTR= 0.000000E+00 WEIGHT= 1.000000D+00 (stretching) +EBE= -4.025622E+01 WEIGHT= 1.138730D+00 (bending) +ESC= 3.330230E+01 WEIGHT= 1.625800D-01 (SC local) +ETORS= 1.033048E+01 WEIGHT= 1.985990D+00 (torsional) +ETORSD= -1.314638E+00 WEIGHT= 1.570690D+00 (double torsional) +EHBP= 0.000000E+00 WEIGHT= 1.000000D+00 (SS bridges & dist. cnstr.) +ECORR4= -6.617081E+01 WEIGHT= 4.288700D-01 (multi-body) +ECORR5= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body) +ECORR6= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body) +EELLO= 8.525861E-01 WEIGHT= 1.603600D-01 (electrostatic-local) +ETURN3= 1.768285E+01 WEIGHT= 1.687220D+00 (turns, 3rd order) +ETURN4= -2.785642E+00 WEIGHT= 6.623000D-01 (turns, 4th order) +ETURN6= 0.000000E+00 WEIGHT= 0.000000D+00 (turns, 6th order) +ESCCOR= 0.000000E+00 WEIGHT= 0.000000D+00 (backbone-rotamer corr) +EDIHC= 0.000000E+00 (dihedral angle constraints) +ESS= 0.000000E+00 (disulfide-bridge intrinsic energy) +UCONST= 0.000000E+00 (Constraint energy) +EDFAD= 5.491269-315 (DFA distance energy) +EDFAT= 6.953158-310 (DFA torsion energy) +EDFAN= 6.953158-310 (DFA NCa energy) +EDFAB= 2.650815-317 (DFA Beta energy) +ETOT= -8.623627E+01 (total) +RMS deviation from the reference structure: 4.731 + % of native contacts: 25.000 + % of nonnative contacts: 83.333 + contact order: 0.402 + TM-score with the reference structure: 0.27 + Conformation # 38 read + + + Conformation # 29 sumsl return code 4 + +Virtual-chain energies: + +EVDW= -5.462649E+01 WEIGHT= 1.352790D+00 (SC-SC) +EVDW2= 4.339980E+01 WEIGHT= 1.593040D+00 (SC-p) +EES= -7.761039E+01 WEIGHT= 7.153400D-01 (p-p) +EVDWPP= -3.731447E+01 WEIGHT= 1.137100D-01 (p-p VDW) +ESTR= 0.000000E+00 WEIGHT= 1.000000D+00 (stretching) +EBE= -3.514950E+01 WEIGHT= 1.138730D+00 (bending) +ESC= 3.535474E+01 WEIGHT= 1.625800D-01 (SC local) +ETORS= 9.107594E+00 WEIGHT= 1.985990D+00 (torsional) +ETORSD= -2.008088E+00 WEIGHT= 1.570690D+00 (double torsional) +EHBP= 0.000000E+00 WEIGHT= 1.000000D+00 (SS bridges & dist. cnstr.) +ECORR4= -5.840195E+01 WEIGHT= 4.288700D-01 (multi-body) +ECORR5= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body) +ECORR6= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body) +EELLO= -3.447846E+00 WEIGHT= 1.603600D-01 (electrostatic-local) +ETURN3= 1.412319E+01 WEIGHT= 1.687220D+00 (turns, 3rd order) +ETURN4= -1.604587E-01 WEIGHT= 6.623000D-01 (turns, 4th order) +ETURN6= 0.000000E+00 WEIGHT= 0.000000D+00 (turns, 6th order) +ESCCOR= 0.000000E+00 WEIGHT= 0.000000D+00 (backbone-rotamer corr) +EDIHC= 0.000000E+00 (dihedral angle constraints) +ESS= 0.000000E+00 (disulfide-bridge intrinsic energy) +UCONST= 0.000000E+00 (Constraint energy) +EDFAD= 5.491269-315 (DFA distance energy) +EDFAT= 6.953158-310 (DFA torsion energy) +EDFAN= 6.953158-310 (DFA NCa energy) +EDFAB= 2.650815-317 (DFA Beta energy) +ETOT= -8.574281E+01 (total) +RMS deviation from the reference structure: 3.699 + % of native contacts: 50.000 + % of nonnative contacts: 72.727 + contact order: 0.370 + TM-score with the reference structure: 0.21 + Conformation # 39 read + + + Conformation # 38 sumsl return code 4 + +Virtual-chain energies: + +EVDW= -5.287387E+01 WEIGHT= 1.352790D+00 (SC-SC) +EVDW2= 4.673019E+01 WEIGHT= 1.593040D+00 (SC-p) +EES= -8.718779E+01 WEIGHT= 7.153400D-01 (p-p) +EVDWPP= -1.712903E+01 WEIGHT= 1.137100D-01 (p-p VDW) +ESTR= 0.000000E+00 WEIGHT= 1.000000D+00 (stretching) +EBE= -3.720143E+01 WEIGHT= 1.138730D+00 (bending) +ESC= 4.168521E+01 WEIGHT= 1.625800D-01 (SC local) +ETORS= 5.727931E+00 WEIGHT= 1.985990D+00 (torsional) +ETORSD= 3.034983E-01 WEIGHT= 1.570690D+00 (double torsional) +EHBP= 0.000000E+00 WEIGHT= 1.000000D+00 (SS bridges & dist. cnstr.) +ECORR4= -6.291846E+01 WEIGHT= 4.288700D-01 (multi-body) +ECORR5= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body) +ECORR6= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body) +EELLO= -4.820940E+00 WEIGHT= 1.603600D-01 (electrostatic-local) +ETURN3= 1.688590E+01 WEIGHT= 1.687220D+00 (turns, 3rd order) +ETURN4= -4.252842E+00 WEIGHT= 6.623000D-01 (turns, 4th order) +ETURN6= 0.000000E+00 WEIGHT= 0.000000D+00 (turns, 6th order) +ESCCOR= 0.000000E+00 WEIGHT= 0.000000D+00 (backbone-rotamer corr) +EDIHC= 0.000000E+00 (dihedral angle constraints) +ESS= 0.000000E+00 (disulfide-bridge intrinsic energy) +UCONST= 0.000000E+00 (Constraint energy) +EDFAD= 5.491269-315 (DFA distance energy) +EDFAT= 6.953158-310 (DFA torsion energy) +EDFAN= 6.953158-310 (DFA NCa energy) +EDFAB= 2.650815-317 (DFA Beta energy) +ETOT= -8.721708E+01 (total) +RMS deviation from the reference structure: 6.030 + % of native contacts: 33.333 + % of nonnative contacts: 81.818 + contact order: 0.364 + TM-score with the reference structure: 0.27 + Conformation # 40 read + + + Conformation # 39 sumsl return code 4 + +Virtual-chain energies: + +EVDW= -5.120313E+01 WEIGHT= 1.352790D+00 (SC-SC) +EVDW2= 5.194518E+01 WEIGHT= 1.593040D+00 (SC-p) +EES= -1.136502E+02 WEIGHT= 7.153400D-01 (p-p) +EVDWPP= -1.441422E+01 WEIGHT= 1.137100D-01 (p-p VDW) +ESTR= 0.000000E+00 WEIGHT= 1.000000D+00 (stretching) +EBE= -4.117799E+01 WEIGHT= 1.138730D+00 (bending) +ESC= 4.161658E+01 WEIGHT= 1.625800D-01 (SC local) +ETORS= 1.466327E+01 WEIGHT= 1.985990D+00 (torsional) +ETORSD= -5.137958E-01 WEIGHT= 1.570690D+00 (double torsional) +EHBP= 0.000000E+00 WEIGHT= 1.000000D+00 (SS bridges & dist. cnstr.) +ECORR4= -8.379204E+01 WEIGHT= 4.288700D-01 (multi-body) +ECORR5= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body) +ECORR6= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body) +EELLO= -3.118051E-01 WEIGHT= 1.603600D-01 (electrostatic-local) +ETURN3= 2.040635E+01 WEIGHT= 1.687220D+00 (turns, 3rd order) +ETURN4= -1.352274E+00 WEIGHT= 6.623000D-01 (turns, 4th order) +ETURN6= 0.000000E+00 WEIGHT= 0.000000D+00 (turns, 6th order) +ESCCOR= 0.000000E+00 WEIGHT= 0.000000D+00 (backbone-rotamer corr) +EDIHC= 0.000000E+00 (dihedral angle constraints) +ESS= 0.000000E+00 (disulfide-bridge intrinsic energy) +UCONST= 0.000000E+00 (Constraint energy) +EDFAD= 5.491269-315 (DFA distance energy) +EDFAT= 6.953158-310 (DFA torsion energy) +EDFAN= 6.953158-310 (DFA NCa energy) +EDFAB= 2.650815-317 (DFA Beta energy) +ETOT= -8.371590E+01 (total) +RMS deviation from the reference structure: 2.343 + % of native contacts: 50.000 + % of nonnative contacts: 68.421 + contact order: 0.292 + TM-score with the reference structure: 0.32 + Conformation # 41 read + + + Conformation # 40 sumsl return code 4 + +Virtual-chain energies: + +EVDW= -5.514516E+01 WEIGHT= 1.352790D+00 (SC-SC) +EVDW2= 5.303892E+01 WEIGHT= 1.593040D+00 (SC-p) +EES= -1.042350E+02 WEIGHT= 7.153400D-01 (p-p) +EVDWPP= -2.387461E+01 WEIGHT= 1.137100D-01 (p-p VDW) +ESTR= 0.000000E+00 WEIGHT= 1.000000D+00 (stretching) +EBE= -3.684418E+01 WEIGHT= 1.138730D+00 (bending) +ESC= 3.700316E+01 WEIGHT= 1.625800D-01 (SC local) +ETORS= 9.499292E+00 WEIGHT= 1.985990D+00 (torsional) +ETORSD= -3.122060E-01 WEIGHT= 1.570690D+00 (double torsional) +EHBP= 0.000000E+00 WEIGHT= 1.000000D+00 (SS bridges & dist. cnstr.) +ECORR4= -7.881446E+01 WEIGHT= 4.288700D-01 (multi-body) +ECORR5= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body) +ECORR6= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body) +EELLO= -5.862802E+00 WEIGHT= 1.603600D-01 (electrostatic-local) +ETURN3= 1.834515E+01 WEIGHT= 1.687220D+00 (turns, 3rd order) +ETURN4= -2.414443E+00 WEIGHT= 6.623000D-01 (turns, 4th order) +ETURN6= 0.000000E+00 WEIGHT= 0.000000D+00 (turns, 6th order) +ESCCOR= 0.000000E+00 WEIGHT= 0.000000D+00 (backbone-rotamer corr) +EDIHC= 0.000000E+00 (dihedral angle constraints) +ESS= 0.000000E+00 (disulfide-bridge intrinsic energy) +UCONST= 0.000000E+00 (Constraint energy) +EDFAD= 5.491269-315 (DFA distance energy) +EDFAT= 6.953158-310 (DFA torsion energy) +EDFAN= 6.953158-310 (DFA NCa energy) +EDFAB= 2.650815-317 (DFA Beta energy) +ETOT= -9.033751E+01 (total) +RMS deviation from the reference structure: 2.466 + % of native contacts: 50.000 + % of nonnative contacts: 73.913 + contact order: 0.356 + TM-score with the reference structure: 0.29 + Conformation # 42 read + + + Conformation # 41 sumsl return code 4 + +Virtual-chain energies: + +EVDW= -5.493930E+01 WEIGHT= 1.352790D+00 (SC-SC) +EVDW2= 5.334427E+01 WEIGHT= 1.593040D+00 (SC-p) +EES= -1.040855E+02 WEIGHT= 7.153400D-01 (p-p) +EVDWPP= -2.753694E+01 WEIGHT= 1.137100D-01 (p-p VDW) +ESTR= 0.000000E+00 WEIGHT= 1.000000D+00 (stretching) +EBE= -3.938477E+01 WEIGHT= 1.138730D+00 (bending) +ESC= 4.022215E+01 WEIGHT= 1.625800D-01 (SC local) +ETORS= 1.009965E+01 WEIGHT= 1.985990D+00 (torsional) +ETORSD= 1.641297E+00 WEIGHT= 1.570690D+00 (double torsional) +EHBP= 0.000000E+00 WEIGHT= 1.000000D+00 (SS bridges & dist. cnstr.) +ECORR4= -7.797576E+01 WEIGHT= 4.288700D-01 (multi-body) +ECORR5= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body) +ECORR6= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body) +EELLO= -5.804926E+00 WEIGHT= 1.603600D-01 (electrostatic-local) +ETURN3= 1.895956E+01 WEIGHT= 1.687220D+00 (turns, 3rd order) +ETURN4= -3.615353E+00 WEIGHT= 6.623000D-01 (turns, 4th order) +ETURN6= 0.000000E+00 WEIGHT= 0.000000D+00 (turns, 6th order) +ESCCOR= 0.000000E+00 WEIGHT= 0.000000D+00 (backbone-rotamer corr) +EDIHC= 0.000000E+00 (dihedral angle constraints) +ESS= 0.000000E+00 (disulfide-bridge intrinsic energy) +UCONST= 0.000000E+00 (Constraint energy) +EDFAD= 5.491269-315 (DFA distance energy) +EDFAT= 6.953158-310 (DFA torsion energy) +EDFAN= 6.953158-310 (DFA NCa energy) +EDFAB= 2.650815-317 (DFA Beta energy) +ETOT= -8.738089E+01 (total) +RMS deviation from the reference structure: 1.785 + % of native contacts: 50.000 + % of nonnative contacts: 72.727 + contact order: 0.316 + TM-score with the reference structure: 0.31 + Conformation # 43 read + + + Conformation # 36 sumsl return code 4 + +Virtual-chain energies: + +EVDW= -5.201704E+01 WEIGHT= 1.352790D+00 (SC-SC) +EVDW2= 4.263827E+01 WEIGHT= 1.593040D+00 (SC-p) +EES= -8.824097E+01 WEIGHT= 7.153400D-01 (p-p) +EVDWPP= -1.501478E+01 WEIGHT= 1.137100D-01 (p-p VDW) +ESTR= 0.000000E+00 WEIGHT= 1.000000D+00 (stretching) +EBE= -4.052596E+01 WEIGHT= 1.138730D+00 (bending) +ESC= 3.928588E+01 WEIGHT= 1.625800D-01 (SC local) +ETORS= 7.712220E+00 WEIGHT= 1.985990D+00 (torsional) +ETORSD= -2.113755E-01 WEIGHT= 1.570690D+00 (double torsional) +EHBP= 0.000000E+00 WEIGHT= 1.000000D+00 (SS bridges & dist. cnstr.) +ECORR4= -6.152853E+01 WEIGHT= 4.288700D-01 (multi-body) +ECORR5= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body) +ECORR6= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body) +EELLO= 1.512091E+00 WEIGHT= 1.603600D-01 (electrostatic-local) +ETURN3= 1.890564E+01 WEIGHT= 1.687220D+00 (turns, 3rd order) +ETURN4= -2.896462E+00 WEIGHT= 6.623000D-01 (turns, 4th order) +ETURN6= 0.000000E+00 WEIGHT= 0.000000D+00 (turns, 6th order) +ESCCOR= 0.000000E+00 WEIGHT= 0.000000D+00 (backbone-rotamer corr) +EDIHC= 0.000000E+00 (dihedral angle constraints) +ESS= 0.000000E+00 (disulfide-bridge intrinsic energy) +UCONST= 0.000000E+00 (Constraint energy) +EDFAD= 5.491269-315 (DFA distance energy) +EDFAT= 6.953158-310 (DFA torsion energy) +EDFAN= 6.953158-310 (DFA NCa energy) +EDFAB= 2.650815-317 (DFA Beta energy) +ETOT= -8.821554E+01 (total) +RMS deviation from the reference structure: 4.369 + % of native contacts: 8.333 + % of nonnative contacts: 93.333 + contact order: 0.333 + TM-score with the reference structure: 0.30 + Conformation # 44 read + + + Conformation # 42 sumsl return code 4 + +Virtual-chain energies: + +EVDW= -5.435531E+01 WEIGHT= 1.352790D+00 (SC-SC) +EVDW2= 5.158663E+01 WEIGHT= 1.593040D+00 (SC-p) +EES= -9.701329E+01 WEIGHT= 7.153400D-01 (p-p) +EVDWPP= -3.455228E+01 WEIGHT= 1.137100D-01 (p-p VDW) +ESTR= 0.000000E+00 WEIGHT= 1.000000D+00 (stretching) +EBE= -3.759777E+01 WEIGHT= 1.138730D+00 (bending) +ESC= 5.178419E+01 WEIGHT= 1.625800D-01 (SC local) +ETORS= 1.130353E+01 WEIGHT= 1.985990D+00 (torsional) +ETORSD= -2.789281E+00 WEIGHT= 1.570690D+00 (double torsional) +EHBP= 0.000000E+00 WEIGHT= 1.000000D+00 (SS bridges & dist. cnstr.) +ECORR4= -7.415274E+01 WEIGHT= 4.288700D-01 (multi-body) +ECORR5= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body) +ECORR6= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body) +EELLO= -5.109289E+00 WEIGHT= 1.603600D-01 (electrostatic-local) +ETURN3= 1.630242E+01 WEIGHT= 1.687220D+00 (turns, 3rd order) +ETURN4= 7.205578E-01 WEIGHT= 6.623000D-01 (turns, 4th order) +ETURN6= 0.000000E+00 WEIGHT= 0.000000D+00 (turns, 6th order) +ESCCOR= 0.000000E+00 WEIGHT= 0.000000D+00 (backbone-rotamer corr) +EDIHC= 0.000000E+00 (dihedral angle constraints) +ESS= 0.000000E+00 (disulfide-bridge intrinsic energy) +UCONST= 0.000000E+00 (Constraint energy) +EDFAD= 5.491269-315 (DFA distance energy) +EDFAT= 6.953158-310 (DFA torsion energy) +EDFAN= 6.953158-310 (DFA NCa energy) +EDFAB= 2.650815-317 (DFA Beta energy) +ETOT= -8.564345E+01 (total) +RMS deviation from the reference structure: 2.997 + % of native contacts: 58.333 + % of nonnative contacts: 69.565 + contact order: 0.338 + TM-score with the reference structure: 0.29 + Conformation # 45 read + + + Conformation # 37 sumsl return code 4 + +Virtual-chain energies: + +EVDW= -5.106634E+01 WEIGHT= 1.352790D+00 (SC-SC) +EVDW2= 3.947319E+01 WEIGHT= 1.593040D+00 (SC-p) +EES= -7.446918E+01 WEIGHT= 7.153400D-01 (p-p) +EVDWPP= -2.826681E+01 WEIGHT= 1.137100D-01 (p-p VDW) +ESTR= 0.000000E+00 WEIGHT= 1.000000D+00 (stretching) +EBE= -4.011402E+01 WEIGHT= 1.138730D+00 (bending) +ESC= 3.411674E+01 WEIGHT= 1.625800D-01 (SC local) +ETORS= 8.269172E+00 WEIGHT= 1.985990D+00 (torsional) +ETORSD= -2.987229E+00 WEIGHT= 1.570690D+00 (double torsional) +EHBP= 0.000000E+00 WEIGHT= 1.000000D+00 (SS bridges & dist. cnstr.) +ECORR4= -5.432415E+01 WEIGHT= 4.288700D-01 (multi-body) +ECORR5= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body) +ECORR6= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body) +EELLO= -4.298715E-01 WEIGHT= 1.603600D-01 (electrostatic-local) +ETURN3= 1.598204E+01 WEIGHT= 1.687220D+00 (turns, 3rd order) +ETURN4= 1.192934E+00 WEIGHT= 6.623000D-01 (turns, 4th order) +ETURN6= 0.000000E+00 WEIGHT= 0.000000D+00 (turns, 6th order) +ESCCOR= 0.000000E+00 WEIGHT= 0.000000D+00 (backbone-rotamer corr) +EDIHC= 0.000000E+00 (dihedral angle constraints) +ESS= 0.000000E+00 (disulfide-bridge intrinsic energy) +UCONST= 0.000000E+00 (Constraint energy) +EDFAD= 5.491269-315 (DFA distance energy) +EDFAT= 6.953158-310 (DFA torsion energy) +EDFAN= 6.953158-310 (DFA NCa energy) +EDFAB= 2.650815-317 (DFA Beta energy) +ETOT= -8.669815E+01 (total) +RMS deviation from the reference structure: 4.583 + % of native contacts: 33.333 + % of nonnative contacts: 77.778 + contact order: 0.371 + TM-score with the reference structure: 0.34 + Conformation # 46 read + + + Conformation # 28 sumsl return code 4 + +Virtual-chain energies: + +EVDW= -5.277345E+01 WEIGHT= 1.352790D+00 (SC-SC) +EVDW2= 3.881418E+01 WEIGHT= 1.593040D+00 (SC-p) +EES= -7.118778E+01 WEIGHT= 7.153400D-01 (p-p) +EVDWPP= -2.463355E+01 WEIGHT= 1.137100D-01 (p-p VDW) +ESTR= 0.000000E+00 WEIGHT= 1.000000D+00 (stretching) +EBE= -3.740744E+01 WEIGHT= 1.138730D+00 (bending) +ESC= 4.577051E+01 WEIGHT= 1.625800D-01 (SC local) +ETORS= 7.127622E+00 WEIGHT= 1.985990D+00 (torsional) +ETORSD= -2.755303E+00 WEIGHT= 1.570690D+00 (double torsional) +EHBP= 0.000000E+00 WEIGHT= 1.000000D+00 (SS bridges & dist. cnstr.) +ECORR4= -5.370857E+01 WEIGHT= 4.288700D-01 (multi-body) +ECORR5= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body) +ECORR6= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body) +EELLO= 5.273519E-01 WEIGHT= 1.603600D-01 (electrostatic-local) +ETURN3= 1.502927E+01 WEIGHT= 1.687220D+00 (turns, 3rd order) +ETURN4= 8.126764E-02 WEIGHT= 6.623000D-01 (turns, 4th order) +ETURN6= 0.000000E+00 WEIGHT= 0.000000D+00 (turns, 6th order) +ESCCOR= 0.000000E+00 WEIGHT= 0.000000D+00 (backbone-rotamer corr) +EDIHC= 0.000000E+00 (dihedral angle constraints) +ESS= 0.000000E+00 (disulfide-bridge intrinsic energy) +UCONST= 0.000000E+00 (Constraint energy) +EDFAD= 5.491269-315 (DFA distance energy) +EDFAT= 6.953158-310 (DFA torsion energy) +EDFAN= 6.953158-310 (DFA NCa energy) +EDFAB= 2.650815-317 (DFA Beta energy) +ETOT= -8.614926E+01 (total) +RMS deviation from the reference structure: 4.957 + % of native contacts: 33.333 + % of nonnative contacts: 78.947 + contact order: 0.411 + TM-score with the reference structure: 0.29 + Conformation # 47 read + + + Conformation # 45 sumsl return code 4 + +Virtual-chain energies: + +EVDW= -5.021897E+01 WEIGHT= 1.352790D+00 (SC-SC) +EVDW2= 5.322494E+01 WEIGHT= 1.593040D+00 (SC-p) +EES= -1.169029E+02 WEIGHT= 7.153400D-01 (p-p) +EVDWPP= -1.020991E+01 WEIGHT= 1.137100D-01 (p-p VDW) +ESTR= 0.000000E+00 WEIGHT= 1.000000D+00 (stretching) +EBE= -4.196052E+01 WEIGHT= 1.138730D+00 (bending) +ESC= 3.899855E+01 WEIGHT= 1.625800D-01 (SC local) +ETORS= 1.364603E+01 WEIGHT= 1.985990D+00 (torsional) +ETORSD= -4.346978E-01 WEIGHT= 1.570690D+00 (double torsional) +EHBP= 0.000000E+00 WEIGHT= 1.000000D+00 (SS bridges & dist. cnstr.) +ECORR4= -8.405317E+01 WEIGHT= 4.288700D-01 (multi-body) +ECORR5= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body) +ECORR6= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body) +EELLO= -1.593220E+00 WEIGHT= 1.603600D-01 (electrostatic-local) +ETURN3= 2.015378E+01 WEIGHT= 1.687220D+00 (turns, 3rd order) +ETURN4= -6.595084E-01 WEIGHT= 6.623000D-01 (turns, 4th order) +ETURN6= 0.000000E+00 WEIGHT= 0.000000D+00 (turns, 6th order) +ESCCOR= 0.000000E+00 WEIGHT= 0.000000D+00 (backbone-rotamer corr) +EDIHC= 0.000000E+00 (dihedral angle constraints) +ESS= 0.000000E+00 (disulfide-bridge intrinsic energy) +UCONST= 0.000000E+00 (Constraint energy) +EDFAD= 5.491269-315 (DFA distance energy) +EDFAT= 6.953158-310 (DFA torsion energy) +EDFAN= 6.953158-310 (DFA NCa energy) +EDFAB= 2.650815-317 (DFA Beta energy) +ETOT= -8.569208E+01 (total) +RMS deviation from the reference structure: 3.041 + % of native contacts: 41.667 + % of nonnative contacts: 72.222 + contact order: 0.293 + TM-score with the reference structure: 0.30 + Conformation # 48 read + + + Conformation # 43 sumsl return code 4 + +Virtual-chain energies: + +EVDW= -5.140411E+01 WEIGHT= 1.352790D+00 (SC-SC) +EVDW2= 4.674911E+01 WEIGHT= 1.593040D+00 (SC-p) +EES= -9.712785E+01 WEIGHT= 7.153400D-01 (p-p) +EVDWPP= -2.173440E+01 WEIGHT= 1.137100D-01 (p-p VDW) +ESTR= 0.000000E+00 WEIGHT= 1.000000D+00 (stretching) +EBE= -3.858754E+01 WEIGHT= 1.138730D+00 (bending) +ESC= 3.809296E+01 WEIGHT= 1.625800D-01 (SC local) +ETORS= 1.223522E+01 WEIGHT= 1.985990D+00 (torsional) +ETORSD= -1.164073E+00 WEIGHT= 1.570690D+00 (double torsional) +EHBP= 0.000000E+00 WEIGHT= 1.000000D+00 (SS bridges & dist. cnstr.) +ECORR4= -7.163596E+01 WEIGHT= 4.288700D-01 (multi-body) +ECORR5= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body) +ECORR6= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body) +EELLO= -1.643892E+00 WEIGHT= 1.603600D-01 (electrostatic-local) +ETURN3= 1.696658E+01 WEIGHT= 1.687220D+00 (turns, 3rd order) +ETURN4= -3.347090E+00 WEIGHT= 6.623000D-01 (turns, 4th order) +ETURN6= 0.000000E+00 WEIGHT= 0.000000D+00 (turns, 6th order) +ESCCOR= 0.000000E+00 WEIGHT= 0.000000D+00 (backbone-rotamer corr) +EDIHC= 0.000000E+00 (dihedral angle constraints) +ESS= 0.000000E+00 (disulfide-bridge intrinsic energy) +UCONST= 0.000000E+00 (Constraint energy) +EDFAD= 5.491269-315 (DFA distance energy) +EDFAT= 6.953158-310 (DFA torsion energy) +EDFAN= 6.953158-310 (DFA NCa energy) +EDFAB= 2.650815-317 (DFA Beta energy) +ETOT= -8.687022E+01 (total) +RMS deviation from the reference structure: 3.524 + % of native contacts: 16.667 + % of nonnative contacts: 88.889 + contact order: 0.323 + TM-score with the reference structure: 0.26 + Conformation # 49 read + + + Conformation # 48 sumsl return code 4 + +Virtual-chain energies: + +EVDW= -5.307913E+01 WEIGHT= 1.352790D+00 (SC-SC) +EVDW2= 4.607981E+01 WEIGHT= 1.593040D+00 (SC-p) +EES= -8.970217E+01 WEIGHT= 7.153400D-01 (p-p) +EVDWPP= -2.999373E+01 WEIGHT= 1.137100D-01 (p-p VDW) +ESTR= 0.000000E+00 WEIGHT= 1.000000D+00 (stretching) +EBE= -3.575311E+01 WEIGHT= 1.138730D+00 (bending) +ESC= 4.353289E+01 WEIGHT= 1.625800D-01 (SC local) +ETORS= 7.550874E+00 WEIGHT= 1.985990D+00 (torsional) +ETORSD= 3.550561E-01 WEIGHT= 1.570690D+00 (double torsional) +EHBP= 0.000000E+00 WEIGHT= 1.000000D+00 (SS bridges & dist. cnstr.) +ECORR4= -6.830007E+01 WEIGHT= 4.288700D-01 (multi-body) +ECORR5= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body) +ECORR6= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body) +EELLO= -4.628660E+00 WEIGHT= 1.603600D-01 (electrostatic-local) +ETURN3= 1.618282E+01 WEIGHT= 1.687220D+00 (turns, 3rd order) +ETURN4= -1.376640E+00 WEIGHT= 6.623000D-01 (turns, 4th order) +ETURN6= 0.000000E+00 WEIGHT= 0.000000D+00 (turns, 6th order) +ESCCOR= 0.000000E+00 WEIGHT= 0.000000D+00 (backbone-rotamer corr) +EDIHC= 0.000000E+00 (dihedral angle constraints) +ESS= 0.000000E+00 (disulfide-bridge intrinsic energy) +UCONST= 0.000000E+00 (Constraint energy) +EDFAD= 5.491269-315 (DFA distance energy) +EDFAT= 6.953158-310 (DFA torsion energy) +EDFAN= 6.953158-310 (DFA NCa energy) +EDFAB= 2.650815-317 (DFA Beta energy) +ETOT= -8.769988E+01 (total) +RMS deviation from the reference structure: 3.343 + % of native contacts: 66.667 + % of nonnative contacts: 63.636 + contact order: 0.289 + TM-score with the reference structure: 0.31 + Conformation # 50 read + + + Conformation # 49 sumsl return code 4 + +Virtual-chain energies: + +EVDW= -5.336219E+01 WEIGHT= 1.352790D+00 (SC-SC) +EVDW2= 3.753434E+01 WEIGHT= 1.593040D+00 (SC-p) +EES= -6.708992E+01 WEIGHT= 7.153400D-01 (p-p) +EVDWPP= -2.305965E+01 WEIGHT= 1.137100D-01 (p-p VDW) +ESTR= 0.000000E+00 WEIGHT= 1.000000D+00 (stretching) +EBE= -3.616040E+01 WEIGHT= 1.138730D+00 (bending) +ESC= 4.552006E+01 WEIGHT= 1.625800D-01 (SC local) +ETORS= 7.996487E+00 WEIGHT= 1.985990D+00 (torsional) +ETORSD= -1.079296E+00 WEIGHT= 1.570690D+00 (double torsional) +EHBP= 0.000000E+00 WEIGHT= 1.000000D+00 (SS bridges & dist. cnstr.) +ECORR4= -4.616065E+01 WEIGHT= 4.288700D-01 (multi-body) +ECORR5= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body) +ECORR6= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body) +EELLO= -2.521817E+00 WEIGHT= 1.603600D-01 (electrostatic-local) +ETURN3= 1.194346E+01 WEIGHT= 1.687220D+00 (turns, 3rd order) +ETURN4= -1.693277E+00 WEIGHT= 6.623000D-01 (turns, 4th order) +ETURN6= 0.000000E+00 WEIGHT= 0.000000D+00 (turns, 6th order) +ESCCOR= 0.000000E+00 WEIGHT= 0.000000D+00 (backbone-rotamer corr) +EDIHC= 0.000000E+00 (dihedral angle constraints) +ESS= 0.000000E+00 (disulfide-bridge intrinsic energy) +UCONST= 0.000000E+00 (Constraint energy) +EDFAD= 5.491269-315 (DFA distance energy) +EDFAT= 6.953158-310 (DFA torsion energy) +EDFAN= 6.953158-310 (DFA NCa energy) +EDFAB= 2.650815-317 (DFA Beta energy) +ETOT= -8.377046E+01 (total) +RMS deviation from the reference structure: 4.936 + % of native contacts: 16.667 + % of nonnative contacts: 89.474 + contact order: 0.404 + TM-score with the reference structure: 0.25 + Conformation # 51 read + + + Conformation # 50 sumsl return code 4 + +Virtual-chain energies: + +EVDW= -5.018245E+01 WEIGHT= 1.352790D+00 (SC-SC) +EVDW2= 5.688365E+01 WEIGHT= 1.593040D+00 (SC-p) +EES= -1.133675E+02 WEIGHT= 7.153400D-01 (p-p) +EVDWPP= -2.448294E+01 WEIGHT= 1.137100D-01 (p-p VDW) +ESTR= 0.000000E+00 WEIGHT= 1.000000D+00 (stretching) +EBE= -3.750686E+01 WEIGHT= 1.138730D+00 (bending) +ESC= 3.082606E+01 WEIGHT= 1.625800D-01 (SC local) +ETORS= 9.188676E+00 WEIGHT= 1.985990D+00 (torsional) +ETORSD= -2.040964E-01 WEIGHT= 1.570690D+00 (double torsional) +EHBP= 0.000000E+00 WEIGHT= 1.000000D+00 (SS bridges & dist. cnstr.) +ECORR4= -7.981068E+01 WEIGHT= 4.288700D-01 (multi-body) +ECORR5= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body) +ECORR6= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body) +EELLO= -3.948025E+00 WEIGHT= 1.603600D-01 (electrostatic-local) +ETURN3= 1.956677E+01 WEIGHT= 1.687220D+00 (turns, 3rd order) +ETURN4= -3.539262E+00 WEIGHT= 6.623000D-01 (turns, 4th order) +ETURN6= 0.000000E+00 WEIGHT= 0.000000D+00 (turns, 6th order) +ESCCOR= 0.000000E+00 WEIGHT= 0.000000D+00 (backbone-rotamer corr) +EDIHC= 0.000000E+00 (dihedral angle constraints) +ESS= 0.000000E+00 (disulfide-bridge intrinsic energy) +UCONST= 0.000000E+00 (Constraint energy) +EDFAD= 5.491269-315 (DFA distance energy) +EDFAT= 6.953158-310 (DFA torsion energy) +EDFAN= 6.953158-310 (DFA NCa energy) +EDFAB= 2.650815-317 (DFA Beta energy) +ETOT= -8.511121E+01 (total) +RMS deviation from the reference structure: 4.210 + % of native contacts: 41.667 + % of nonnative contacts: 77.273 + contact order: 0.345 + TM-score with the reference structure: 0.28 + Conformation # 52 read + + + Conformation # 51 sumsl return code 4 + +Virtual-chain energies: + +EVDW= -5.201463E+01 WEIGHT= 1.352790D+00 (SC-SC) +EVDW2= 4.743827E+01 WEIGHT= 1.593040D+00 (SC-p) +EES= -8.951823E+01 WEIGHT= 7.153400D-01 (p-p) +EVDWPP= -2.956350E+01 WEIGHT= 1.137100D-01 (p-p VDW) +ESTR= 0.000000E+00 WEIGHT= 1.000000D+00 (stretching) +EBE= -4.210352E+01 WEIGHT= 1.138730D+00 (bending) +ESC= 3.136984E+01 WEIGHT= 1.625800D-01 (SC local) +ETORS= 9.460472E+00 WEIGHT= 1.985990D+00 (torsional) +ETORSD= -1.146980E+00 WEIGHT= 1.570690D+00 (double torsional) +EHBP= 0.000000E+00 WEIGHT= 1.000000D+00 (SS bridges & dist. cnstr.) +ECORR4= -6.428962E+01 WEIGHT= 4.288700D-01 (multi-body) +ECORR5= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body) +ECORR6= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body) +EELLO= -2.826255E+00 WEIGHT= 1.603600D-01 (electrostatic-local) +ETURN3= 1.725980E+01 WEIGHT= 1.687220D+00 (turns, 3rd order) +ETURN4= 1.159555E-01 WEIGHT= 6.623000D-01 (turns, 4th order) +ETURN6= 0.000000E+00 WEIGHT= 0.000000D+00 (turns, 6th order) +ESCCOR= 0.000000E+00 WEIGHT= 0.000000D+00 (backbone-rotamer corr) +EDIHC= 0.000000E+00 (dihedral angle constraints) +ESS= 0.000000E+00 (disulfide-bridge intrinsic energy) +UCONST= 0.000000E+00 (Constraint energy) +EDFAD= 5.491269-315 (DFA distance energy) +EDFAT= 6.953158-310 (DFA torsion energy) +EDFAN= 6.953158-310 (DFA NCa energy) +EDFAB= 2.650815-317 (DFA Beta energy) +ETOT= -8.687626E+01 (total) +RMS deviation from the reference structure: 4.608 + % of native contacts: 25.000 + % of nonnative contacts: 85.714 + contact order: 0.383 + TM-score with the reference structure: 0.30 + Conformation # 53 read + + + Conformation # 46 sumsl return code 4 + +Virtual-chain energies: + +EVDW= -5.154839E+01 WEIGHT= 1.352790D+00 (SC-SC) +EVDW2= 4.191969E+01 WEIGHT= 1.593040D+00 (SC-p) +EES= -8.798772E+01 WEIGHT= 7.153400D-01 (p-p) +EVDWPP= -1.459589E+01 WEIGHT= 1.137100D-01 (p-p VDW) +ESTR= 0.000000E+00 WEIGHT= 1.000000D+00 (stretching) +EBE= -3.902199E+01 WEIGHT= 1.138730D+00 (bending) +ESC= 3.865102E+01 WEIGHT= 1.625800D-01 (SC local) +ETORS= 7.698028E+00 WEIGHT= 1.985990D+00 (torsional) +ETORSD= -1.822699E-01 WEIGHT= 1.570690D+00 (double torsional) +EHBP= 0.000000E+00 WEIGHT= 1.000000D+00 (SS bridges & dist. cnstr.) +ECORR4= -6.142248E+01 WEIGHT= 4.288700D-01 (multi-body) +ECORR5= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body) +ECORR6= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body) +EELLO= 1.636060E+00 WEIGHT= 1.603600D-01 (electrostatic-local) +ETURN3= 1.890536E+01 WEIGHT= 1.687220D+00 (turns, 3rd order) +ETURN4= -2.905968E+00 WEIGHT= 6.623000D-01 (turns, 4th order) +ETURN6= 0.000000E+00 WEIGHT= 0.000000D+00 (turns, 6th order) +ESCCOR= 0.000000E+00 WEIGHT= 0.000000D+00 (backbone-rotamer corr) +EDIHC= 0.000000E+00 (dihedral angle constraints) +ESS= 0.000000E+00 (disulfide-bridge intrinsic energy) +UCONST= 0.000000E+00 (Constraint energy) +EDFAD= 5.491269-315 (DFA distance energy) +EDFAT= 6.953158-310 (DFA torsion energy) +EDFAN= 6.953158-310 (DFA NCa energy) +EDFAB= 2.650815-317 (DFA Beta energy) +ETOT= -8.681196E+01 (total) +RMS deviation from the reference structure: 4.358 + % of native contacts: 8.333 + % of nonnative contacts: 93.333 + contact order: 0.333 + TM-score with the reference structure: 0.30 + Conformation # 54 read + + + Conformation # 52 sumsl return code 4 + +Virtual-chain energies: + +EVDW= -5.374343E+01 WEIGHT= 1.352790D+00 (SC-SC) +EVDW2= 3.076389E+01 WEIGHT= 1.593040D+00 (SC-p) +EES= -4.007468E+01 WEIGHT= 7.153400D-01 (p-p) +EVDWPP= -3.555488E+01 WEIGHT= 1.137100D-01 (p-p VDW) +ESTR= 0.000000E+00 WEIGHT= 1.000000D+00 (stretching) +EBE= -3.854066E+01 WEIGHT= 1.138730D+00 (bending) +ESC= 3.101077E+01 WEIGHT= 1.625800D-01 (SC local) +ETORS= 4.361876E+00 WEIGHT= 1.985990D+00 (torsional) +ETORSD= -1.136974E+00 WEIGHT= 1.570690D+00 (double torsional) +EHBP= 0.000000E+00 WEIGHT= 1.000000D+00 (SS bridges & dist. cnstr.) +ECORR4= -2.627170E+01 WEIGHT= 4.288700D-01 (multi-body) +ECORR5= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body) +ECORR6= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body) +EELLO= 1.328577E+00 WEIGHT= 1.603600D-01 (electrostatic-local) +ETURN3= 7.859060E+00 WEIGHT= 1.687220D+00 (turns, 3rd order) +ETURN4= 1.249852E-01 WEIGHT= 6.623000D-01 (turns, 4th order) +ETURN6= 0.000000E+00 WEIGHT= 0.000000D+00 (turns, 6th order) +ESCCOR= 0.000000E+00 WEIGHT= 0.000000D+00 (backbone-rotamer corr) +EDIHC= 0.000000E+00 (dihedral angle constraints) +ESS= 0.000000E+00 (disulfide-bridge intrinsic energy) +UCONST= 0.000000E+00 (Constraint energy) +EDFAD= 5.491269-315 (DFA distance energy) +EDFAT= 6.953158-310 (DFA torsion energy) +EDFAN= 6.953158-310 (DFA NCa energy) +EDFAB= 2.650815-317 (DFA Beta energy) +ETOT= -8.608564E+01 (total) +RMS deviation from the reference structure: 5.439 + % of native contacts: 33.333 + % of nonnative contacts: 76.471 + contact order: 0.377 + TM-score with the reference structure: 0.20 + Conformation # 55 read + + + Conformation # 54 sumsl return code 4 + +Virtual-chain energies: + +EVDW= -5.502204E+01 WEIGHT= 1.352790D+00 (SC-SC) +EVDW2= 4.995068E+01 WEIGHT= 1.593040D+00 (SC-p) +EES= -8.998450E+01 WEIGHT= 7.153400D-01 (p-p) +EVDWPP= -3.419177E+01 WEIGHT= 1.137100D-01 (p-p VDW) +ESTR= 0.000000E+00 WEIGHT= 1.000000D+00 (stretching) +EBE= -3.874727E+01 WEIGHT= 1.138730D+00 (bending) +ESC= 4.916947E+01 WEIGHT= 1.625800D-01 (SC local) +ETORS= 1.124203E+01 WEIGHT= 1.985990D+00 (torsional) +ETORSD= -3.679689E+00 WEIGHT= 1.570690D+00 (double torsional) +EHBP= 0.000000E+00 WEIGHT= 1.000000D+00 (SS bridges & dist. cnstr.) +ECORR4= -6.658062E+01 WEIGHT= 4.288700D-01 (multi-body) +ECORR5= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body) +ECORR6= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body) +EELLO= -8.262522E-01 WEIGHT= 1.603600D-01 (electrostatic-local) +ETURN3= 1.592054E+01 WEIGHT= 1.687220D+00 (turns, 3rd order) +ETURN4= 3.803124E-01 WEIGHT= 6.623000D-01 (turns, 4th order) +ETURN6= 0.000000E+00 WEIGHT= 0.000000D+00 (turns, 6th order) +ESCCOR= 0.000000E+00 WEIGHT= 0.000000D+00 (backbone-rotamer corr) +EDIHC= 0.000000E+00 (dihedral angle constraints) +ESS= 0.000000E+00 (disulfide-bridge intrinsic energy) +UCONST= 0.000000E+00 (Constraint energy) +EDFAD= 5.491269-315 (DFA distance energy) +EDFAT= 6.953158-310 (DFA torsion energy) +EDFAN= 6.953158-310 (DFA NCa energy) +EDFAB= 2.650815-317 (DFA Beta energy) +ETOT= -8.427270E+01 (total) +RMS deviation from the reference structure: 3.064 + % of native contacts: 58.333 + % of nonnative contacts: 63.158 + contact order: 0.354 + TM-score with the reference structure: 0.25 + Conformation # 56 read + + + Conformation # 47 sumsl return code 4 + +Virtual-chain energies: + +EVDW= -4.992304E+01 WEIGHT= 1.352790D+00 (SC-SC) +EVDW2= 5.363912E+01 WEIGHT= 1.593040D+00 (SC-p) +EES= -1.166606E+02 WEIGHT= 7.153400D-01 (p-p) +EVDWPP= -1.666033E+01 WEIGHT= 1.137100D-01 (p-p VDW) +ESTR= 0.000000E+00 WEIGHT= 1.000000D+00 (stretching) +EBE= -4.367353E+01 WEIGHT= 1.138730D+00 (bending) +ESC= 3.147513E+01 WEIGHT= 1.625800D-01 (SC local) +ETORS= 1.198322E+01 WEIGHT= 1.985990D+00 (torsional) +ETORSD= 1.530666E+00 WEIGHT= 1.570690D+00 (double torsional) +EHBP= 0.000000E+00 WEIGHT= 1.000000D+00 (SS bridges & dist. cnstr.) +ECORR4= -8.173211E+01 WEIGHT= 4.288700D-01 (multi-body) +ECORR5= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body) +ECORR6= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body) +EELLO= -4.102444E+00 WEIGHT= 1.603600D-01 (electrostatic-local) +ETURN3= 2.027820E+01 WEIGHT= 1.687220D+00 (turns, 3rd order) +ETURN4= -6.930762E-01 WEIGHT= 6.623000D-01 (turns, 4th order) +ETURN6= 0.000000E+00 WEIGHT= 0.000000D+00 (turns, 6th order) +ESCCOR= 0.000000E+00 WEIGHT= 0.000000D+00 (backbone-rotamer corr) +EDIHC= 0.000000E+00 (dihedral angle constraints) +ESS= 0.000000E+00 (disulfide-bridge intrinsic energy) +UCONST= 0.000000E+00 (Constraint energy) +EDFAD= 5.491269-315 (DFA distance energy) +EDFAT= 6.953158-310 (DFA torsion energy) +EDFAN= 6.953158-310 (DFA NCa energy) +EDFAB= 2.650815-317 (DFA Beta energy) +ETOT= -8.780053E+01 (total) +RMS deviation from the reference structure: 3.356 + % of native contacts: 25.000 + % of nonnative contacts: 84.211 + contact order: 0.306 + TM-score with the reference structure: 0.27 + Conformation # 57 read + + + Conformation # 7 sumsl return code 4 + +Virtual-chain energies: + +EVDW= -4.928307E+01 WEIGHT= 1.352790D+00 (SC-SC) +EVDW2= 4.086777E+01 WEIGHT= 1.593040D+00 (SC-p) +EES= -7.803956E+01 WEIGHT= 7.153400D-01 (p-p) +EVDWPP= -2.614427E+01 WEIGHT= 1.137100D-01 (p-p VDW) +ESTR= 0.000000E+00 WEIGHT= 1.000000D+00 (stretching) +EBE= -3.767728E+01 WEIGHT= 1.138730D+00 (bending) +ESC= 2.987521E+01 WEIGHT= 1.625800D-01 (SC local) +ETORS= 7.313348E+00 WEIGHT= 1.985990D+00 (torsional) +ETORSD= -1.215591E+00 WEIGHT= 1.570690D+00 (double torsional) +EHBP= 0.000000E+00 WEIGHT= 1.000000D+00 (SS bridges & dist. cnstr.) +ECORR4= -5.787940E+01 WEIGHT= 4.288700D-01 (multi-body) +ECORR5= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body) +ECORR6= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body) +EELLO= 5.761960E-01 WEIGHT= 1.603600D-01 (electrostatic-local) +ETURN3= 1.546097E+01 WEIGHT= 1.687220D+00 (turns, 3rd order) +ETURN4= -1.277757E+00 WEIGHT= 6.623000D-01 (turns, 4th order) +ETURN6= 0.000000E+00 WEIGHT= 0.000000D+00 (turns, 6th order) +ESCCOR= 0.000000E+00 WEIGHT= 0.000000D+00 (backbone-rotamer corr) +EDIHC= 0.000000E+00 (dihedral angle constraints) +ESS= 0.000000E+00 (disulfide-bridge intrinsic energy) +UCONST= 0.000000E+00 (Constraint energy) +EDFAD= 5.491269-315 (DFA distance energy) +EDFAT= 6.953158-310 (DFA torsion energy) +EDFAN= 6.953158-310 (DFA NCa energy) +EDFAB= 2.650815-317 (DFA Beta energy) +ETOT= -8.528609E+01 (total) +RMS deviation from the reference structure: 3.631 + % of native contacts: 33.333 + % of nonnative contacts: 76.471 + contact order: 0.313 + TM-score with the reference structure: 0.30 + Conformation # 58 read + + + Conformation # 56 sumsl return code 4 + +Virtual-chain energies: + +EVDW= -5.229926E+01 WEIGHT= 1.352790D+00 (SC-SC) +EVDW2= 4.445137E+01 WEIGHT= 1.593040D+00 (SC-p) +EES= -8.631679E+01 WEIGHT= 7.153400D-01 (p-p) +EVDWPP= -2.527296E+01 WEIGHT= 1.137100D-01 (p-p VDW) +ESTR= 0.000000E+00 WEIGHT= 1.000000D+00 (stretching) +EBE= -3.865243E+01 WEIGHT= 1.138730D+00 (bending) +ESC= 3.912605E+01 WEIGHT= 1.625800D-01 (SC local) +ETORS= 7.862867E+00 WEIGHT= 1.985990D+00 (torsional) +ETORSD= -1.200357E+00 WEIGHT= 1.570690D+00 (double torsional) +EHBP= 0.000000E+00 WEIGHT= 1.000000D+00 (SS bridges & dist. cnstr.) +ECORR4= -6.261065E+01 WEIGHT= 4.288700D-01 (multi-body) +ECORR5= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body) +ECORR6= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body) +EELLO= -1.482872E+00 WEIGHT= 1.603600D-01 (electrostatic-local) +ETURN3= 1.806390E+01 WEIGHT= 1.687220D+00 (turns, 3rd order) +ETURN4= -6.282756E-01 WEIGHT= 6.623000D-01 (turns, 4th order) +ETURN6= 0.000000E+00 WEIGHT= 0.000000D+00 (turns, 6th order) +ESCCOR= 0.000000E+00 WEIGHT= 0.000000D+00 (backbone-rotamer corr) +EDIHC= 0.000000E+00 (dihedral angle constraints) +ESS= 0.000000E+00 (disulfide-bridge intrinsic energy) +UCONST= 0.000000E+00 (Constraint energy) +EDFAD= 5.491269-315 (DFA distance energy) +EDFAT= 6.953158-310 (DFA torsion energy) +EDFAN= 6.953158-310 (DFA NCa energy) +EDFAB= 2.650815-317 (DFA Beta energy) +ETOT= -8.550809E+01 (total) +RMS deviation from the reference structure: 3.945 + % of native contacts: 41.667 + % of nonnative contacts: 76.190 + contact order: 0.338 + TM-score with the reference structure: 0.29 + Conformation # 59 read + + + Conformation # 53 sumsl return code 4 + +Virtual-chain energies: + +EVDW= -5.364036E+01 WEIGHT= 1.352790D+00 (SC-SC) +EVDW2= 4.404233E+01 WEIGHT= 1.593040D+00 (SC-p) +EES= -8.760155E+01 WEIGHT= 7.153400D-01 (p-p) +EVDWPP= -1.758501E+01 WEIGHT= 1.137100D-01 (p-p VDW) +ESTR= 0.000000E+00 WEIGHT= 1.000000D+00 (stretching) +EBE= -3.738427E+01 WEIGHT= 1.138730D+00 (bending) +ESC= 4.781087E+01 WEIGHT= 1.625800D-01 (SC local) +ETORS= 8.626289E+00 WEIGHT= 1.985990D+00 (torsional) +ETORSD= -1.512410E+00 WEIGHT= 1.570690D+00 (double torsional) +EHBP= 0.000000E+00 WEIGHT= 1.000000D+00 (SS bridges & dist. cnstr.) +ECORR4= -6.329352E+01 WEIGHT= 4.288700D-01 (multi-body) +ECORR5= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body) +ECORR6= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body) +EELLO= 3.769700E+00 WEIGHT= 1.603600D-01 (electrostatic-local) +ETURN3= 1.809807E+01 WEIGHT= 1.687220D+00 (turns, 3rd order) +ETURN4= -2.885832E+00 WEIGHT= 6.623000D-01 (turns, 4th order) +ETURN6= 0.000000E+00 WEIGHT= 0.000000D+00 (turns, 6th order) +ESCCOR= 0.000000E+00 WEIGHT= 0.000000D+00 (backbone-rotamer corr) +EDIHC= 0.000000E+00 (dihedral angle constraints) +ESS= 0.000000E+00 (disulfide-bridge intrinsic energy) +UCONST= 0.000000E+00 (Constraint energy) +EDFAD= 5.491269-315 (DFA distance energy) +EDFAT= 6.953158-310 (DFA torsion energy) +EDFAN= 6.953158-310 (DFA NCa energy) +EDFAB= 2.650815-317 (DFA Beta energy) +ETOT= -8.502478E+01 (total) +RMS deviation from the reference structure: 4.868 + % of native contacts: 16.667 + % of nonnative contacts: 86.667 + contact order: 0.324 + TM-score with the reference structure: 0.29 + Conformation # 60 read + + + Conformation # 44 sumsl return code 4 + +Virtual-chain energies: + +EVDW= -5.188388E+01 WEIGHT= 1.352790D+00 (SC-SC) +EVDW2= 5.029902E+01 WEIGHT= 1.593040D+00 (SC-p) +EES= -1.027856E+02 WEIGHT= 7.153400D-01 (p-p) +EVDWPP= -2.449355E+01 WEIGHT= 1.137100D-01 (p-p VDW) +ESTR= 0.000000E+00 WEIGHT= 1.000000D+00 (stretching) +EBE= -3.812501E+01 WEIGHT= 1.138730D+00 (bending) +ESC= 4.204499E+01 WEIGHT= 1.625800D-01 (SC local) +ETORS= 9.719410E+00 WEIGHT= 1.985990D+00 (torsional) +ETORSD= 7.237824E-01 WEIGHT= 1.570690D+00 (double torsional) +EHBP= 0.000000E+00 WEIGHT= 1.000000D+00 (SS bridges & dist. cnstr.) +ECORR4= -7.720037E+01 WEIGHT= 4.288700D-01 (multi-body) +ECORR5= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body) +ECORR6= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body) +EELLO= -3.693599E+00 WEIGHT= 1.603600D-01 (electrostatic-local) +ETURN3= 1.815449E+01 WEIGHT= 1.687220D+00 (turns, 3rd order) +ETURN4= -2.968524E+00 WEIGHT= 6.623000D-01 (turns, 4th order) +ETURN6= 0.000000E+00 WEIGHT= 0.000000D+00 (turns, 6th order) +ESCCOR= 0.000000E+00 WEIGHT= 0.000000D+00 (backbone-rotamer corr) +EDIHC= 0.000000E+00 (dihedral angle constraints) +ESS= 0.000000E+00 (disulfide-bridge intrinsic energy) +UCONST= 0.000000E+00 (Constraint energy) +EDFAD= 5.491269-315 (DFA distance energy) +EDFAT= 6.953158-310 (DFA torsion energy) +EDFAN= 6.953158-310 (DFA NCa energy) +EDFAB= 2.650815-317 (DFA Beta energy) +ETOT= -8.754707E+01 (total) +RMS deviation from the reference structure: 3.198 + % of native contacts: 50.000 + % of nonnative contacts: 70.000 + contact order: 0.327 + TM-score with the reference structure: 0.29 + Conformation # 61 read + + + Conformation # 55 sumsl return code 4 + +Virtual-chain energies: + +EVDW= -5.453480E+01 WEIGHT= 1.352790D+00 (SC-SC) +EVDW2= 4.842847E+01 WEIGHT= 1.593040D+00 (SC-p) +EES= -8.558465E+01 WEIGHT= 7.153400D-01 (p-p) +EVDWPP= -3.665044E+01 WEIGHT= 1.137100D-01 (p-p VDW) +ESTR= 0.000000E+00 WEIGHT= 1.000000D+00 (stretching) +EBE= -3.689607E+01 WEIGHT= 1.138730D+00 (bending) +ESC= 4.344523E+01 WEIGHT= 1.625800D-01 (SC local) +ETORS= 9.459575E+00 WEIGHT= 1.985990D+00 (torsional) +ETORSD= -3.275427E+00 WEIGHT= 1.570690D+00 (double torsional) +EHBP= 0.000000E+00 WEIGHT= 1.000000D+00 (SS bridges & dist. cnstr.) +ECORR4= -6.585480E+01 WEIGHT= 4.288700D-01 (multi-body) +ECORR5= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body) +ECORR6= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body) +EELLO= -2.107669E+00 WEIGHT= 1.603600D-01 (electrostatic-local) +ETURN3= 1.468449E+01 WEIGHT= 1.687220D+00 (turns, 3rd order) +ETURN4= 2.553064E+00 WEIGHT= 6.623000D-01 (turns, 4th order) +ETURN6= 0.000000E+00 WEIGHT= 0.000000D+00 (turns, 6th order) +ESCCOR= 0.000000E+00 WEIGHT= 0.000000D+00 (backbone-rotamer corr) +EDIHC= 0.000000E+00 (dihedral angle constraints) +ESS= 0.000000E+00 (disulfide-bridge intrinsic energy) +UCONST= 0.000000E+00 (Constraint energy) +EDFAD= 5.491269-315 (DFA distance energy) +EDFAT= 6.953158-310 (DFA torsion energy) +EDFAN= 6.953158-310 (DFA NCa energy) +EDFAB= 2.650815-317 (DFA Beta energy) +ETOT= -8.543896E+01 (total) +RMS deviation from the reference structure: 3.301 + % of native contacts: 50.000 + % of nonnative contacts: 70.000 + contact order: 0.330 + TM-score with the reference structure: 0.28 + Conformation # 62 read + + + Conformation # 61 sumsl return code 4 + +Virtual-chain energies: + +EVDW= -5.317755E+01 WEIGHT= 1.352790D+00 (SC-SC) +EVDW2= 4.529984E+01 WEIGHT= 1.593040D+00 (SC-p) +EES= -9.070004E+01 WEIGHT= 7.153400D-01 (p-p) +EVDWPP= -1.923018E+01 WEIGHT= 1.137100D-01 (p-p VDW) +ESTR= 0.000000E+00 WEIGHT= 1.000000D+00 (stretching) +EBE= -4.062870E+01 WEIGHT= 1.138730D+00 (bending) +ESC= 4.442335E+01 WEIGHT= 1.625800D-01 (SC local) +ETORS= 9.530746E+00 WEIGHT= 1.985990D+00 (torsional) +ETORSD= -8.878436E-01 WEIGHT= 1.570690D+00 (double torsional) +EHBP= 0.000000E+00 WEIGHT= 1.000000D+00 (SS bridges & dist. cnstr.) +ECORR4= -6.241854E+01 WEIGHT= 4.288700D-01 (multi-body) +ECORR5= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body) +ECORR6= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body) +EELLO= 2.760952E+00 WEIGHT= 1.603600D-01 (electrostatic-local) +ETURN3= 1.832901E+01 WEIGHT= 1.687220D+00 (turns, 3rd order) +ETURN4= -3.414633E+00 WEIGHT= 6.623000D-01 (turns, 4th order) +ETURN6= 0.000000E+00 WEIGHT= 0.000000D+00 (turns, 6th order) +ESCCOR= 0.000000E+00 WEIGHT= 0.000000D+00 (backbone-rotamer corr) +EDIHC= 0.000000E+00 (dihedral angle constraints) +ESS= 0.000000E+00 (disulfide-bridge intrinsic energy) +UCONST= 0.000000E+00 (Constraint energy) +EDFAD= 5.491269-315 (DFA distance energy) +EDFAT= 6.953158-310 (DFA torsion energy) +EDFAN= 6.953158-310 (DFA NCa energy) +EDFAB= 2.650815-317 (DFA Beta energy) +ETOT= -8.601411E+01 (total) +RMS deviation from the reference structure: 4.202 + % of native contacts: 8.333 + % of nonnative contacts: 94.737 + contact order: 0.333 + TM-score with the reference structure: 0.29 + Conformation # 63 read + + + Conformation # 59 sumsl return code 4 + +Virtual-chain energies: + +EVDW= -5.179106E+01 WEIGHT= 1.352790D+00 (SC-SC) +EVDW2= 4.629455E+01 WEIGHT= 1.593040D+00 (SC-p) +EES= -8.841907E+01 WEIGHT= 7.153400D-01 (p-p) +EVDWPP= -3.028376E+01 WEIGHT= 1.137100D-01 (p-p VDW) +ESTR= 0.000000E+00 WEIGHT= 1.000000D+00 (stretching) +EBE= -3.740849E+01 WEIGHT= 1.138730D+00 (bending) +ESC= 4.534205E+01 WEIGHT= 1.625800D-01 (SC local) +ETORS= 7.102459E+00 WEIGHT= 1.985990D+00 (torsional) +ETORSD= 4.089874E-01 WEIGHT= 1.570690D+00 (double torsional) +EHBP= 0.000000E+00 WEIGHT= 1.000000D+00 (SS bridges & dist. cnstr.) +ECORR4= -6.720389E+01 WEIGHT= 4.288700D-01 (multi-body) +ECORR5= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body) +ECORR6= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body) +EELLO= -3.760680E+00 WEIGHT= 1.603600D-01 (electrostatic-local) +ETURN3= 1.538745E+01 WEIGHT= 1.687220D+00 (turns, 3rd order) +ETURN4= -1.996456E+00 WEIGHT= 6.623000D-01 (turns, 4th order) +ETURN6= 0.000000E+00 WEIGHT= 0.000000D+00 (turns, 6th order) +ESCCOR= 0.000000E+00 WEIGHT= 0.000000D+00 (backbone-rotamer corr) +EDIHC= 0.000000E+00 (dihedral angle constraints) +ESS= 0.000000E+00 (disulfide-bridge intrinsic energy) +UCONST= 0.000000E+00 (Constraint energy) +EDFAD= 5.491269-315 (DFA distance energy) +EDFAT= 6.953158-310 (DFA torsion energy) +EDFAN= 6.953158-310 (DFA NCa energy) +EDFAB= 2.650815-317 (DFA Beta energy) +ETOT= -8.827031E+01 (total) +RMS deviation from the reference structure: 3.170 + % of native contacts: 66.667 + % of nonnative contacts: 61.905 + contact order: 0.271 + TM-score with the reference structure: 0.30 + Conformation # 64 read + + + Conformation # 57 sumsl return code 4 + +Virtual-chain energies: + +EVDW= -5.042310E+01 WEIGHT= 1.352790D+00 (SC-SC) +EVDW2= 4.600243E+01 WEIGHT= 1.593040D+00 (SC-p) +EES= -9.490518E+01 WEIGHT= 7.153400D-01 (p-p) +EVDWPP= -2.285929E+01 WEIGHT= 1.137100D-01 (p-p VDW) +ESTR= 0.000000E+00 WEIGHT= 1.000000D+00 (stretching) +EBE= -3.988336E+01 WEIGHT= 1.138730D+00 (bending) +ESC= 2.607804E+01 WEIGHT= 1.625800D-01 (SC local) +ETORS= 1.210209E+01 WEIGHT= 1.985990D+00 (torsional) +ETORSD= -1.324364E+00 WEIGHT= 1.570690D+00 (double torsional) +EHBP= 0.000000E+00 WEIGHT= 1.000000D+00 (SS bridges & dist. cnstr.) +ECORR4= -6.755724E+01 WEIGHT= 4.288700D-01 (multi-body) +ECORR5= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body) +ECORR6= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body) +EELLO= -1.722919E+00 WEIGHT= 1.603600D-01 (electrostatic-local) +ETURN3= 1.653230E+01 WEIGHT= 1.687220D+00 (turns, 3rd order) +ETURN4= 1.184771E+00 WEIGHT= 6.623000D-01 (turns, 4th order) +ETURN6= 0.000000E+00 WEIGHT= 0.000000D+00 (turns, 6th order) +ESCCOR= 0.000000E+00 WEIGHT= 0.000000D+00 (backbone-rotamer corr) +EDIHC= 0.000000E+00 (dihedral angle constraints) +ESS= 0.000000E+00 (disulfide-bridge intrinsic energy) +UCONST= 0.000000E+00 (Constraint energy) +EDFAD= 5.491269-315 (DFA distance energy) +EDFAT= 6.953158-310 (DFA torsion energy) +EDFAN= 6.953158-310 (DFA NCa energy) +EDFAB= 2.650815-317 (DFA Beta energy) +ETOT= -8.521035E+01 (total) +RMS deviation from the reference structure: 3.790 + % of native contacts: 33.333 + % of nonnative contacts: 80.000 + contact order: 0.366 + TM-score with the reference structure: 0.26 + Conformation # 65 read + + + Conformation # 64 sumsl return code 4 + +Virtual-chain energies: + +EVDW= -5.295550E+01 WEIGHT= 1.352790D+00 (SC-SC) +EVDW2= 4.795870E+01 WEIGHT= 1.593040D+00 (SC-p) +EES= -9.040875E+01 WEIGHT= 7.153400D-01 (p-p) +EVDWPP= -3.132648E+01 WEIGHT= 1.137100D-01 (p-p VDW) +ESTR= 0.000000E+00 WEIGHT= 1.000000D+00 (stretching) +EBE= -3.699492E+01 WEIGHT= 1.138730D+00 (bending) +ESC= 5.102125E+01 WEIGHT= 1.625800D-01 (SC local) +ETORS= 7.902693E+00 WEIGHT= 1.985990D+00 (torsional) +ETORSD= 7.791768E-02 WEIGHT= 1.570690D+00 (double torsional) +EHBP= 0.000000E+00 WEIGHT= 1.000000D+00 (SS bridges & dist. cnstr.) +ECORR4= -6.708701E+01 WEIGHT= 4.288700D-01 (multi-body) +ECORR5= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body) +ECORR6= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body) +EELLO= -6.280698E+00 WEIGHT= 1.603600D-01 (electrostatic-local) +ETURN3= 1.656308E+01 WEIGHT= 1.687220D+00 (turns, 3rd order) +ETURN4= -2.938435E+00 WEIGHT= 6.623000D-01 (turns, 4th order) +ETURN6= 0.000000E+00 WEIGHT= 0.000000D+00 (turns, 6th order) +ESCCOR= 0.000000E+00 WEIGHT= 0.000000D+00 (backbone-rotamer corr) +EDIHC= 0.000000E+00 (dihedral angle constraints) +ESS= 0.000000E+00 (disulfide-bridge intrinsic energy) +UCONST= 0.000000E+00 (Constraint energy) +EDFAD= 5.491269-315 (DFA distance energy) +EDFAT= 6.953158-310 (DFA torsion energy) +EDFAN= 6.953158-310 (DFA NCa energy) +EDFAB= 2.650815-317 (DFA Beta energy) +ETOT= -8.526715E+01 (total) +RMS deviation from the reference structure: 3.284 + % of native contacts: 50.000 + % of nonnative contacts: 72.727 + contact order: 0.351 + TM-score with the reference structure: 0.30 + Conformation # 66 read + + + Conformation # 60 sumsl return code 4 + +Virtual-chain energies: + +EVDW= -5.630734E+01 WEIGHT= 1.352790D+00 (SC-SC) +EVDW2= 4.879338E+01 WEIGHT= 1.593040D+00 (SC-p) +EES= -9.755453E+01 WEIGHT= 7.153400D-01 (p-p) +EVDWPP= -2.152566E+01 WEIGHT= 1.137100D-01 (p-p VDW) +ESTR= 0.000000E+00 WEIGHT= 1.000000D+00 (stretching) +EBE= -4.046953E+01 WEIGHT= 1.138730D+00 (bending) +ESC= 4.955701E+01 WEIGHT= 1.625800D-01 (SC local) +ETORS= 1.221616E+01 WEIGHT= 1.985990D+00 (torsional) +ETORSD= -2.112377E+00 WEIGHT= 1.570690D+00 (double torsional) +EHBP= 0.000000E+00 WEIGHT= 1.000000D+00 (SS bridges & dist. cnstr.) +ECORR4= -7.225855E+01 WEIGHT= 4.288700D-01 (multi-body) +ECORR5= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body) +ECORR6= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body) +EELLO= -3.713139E+00 WEIGHT= 1.603600D-01 (electrostatic-local) +ETURN3= 1.932526E+01 WEIGHT= 1.687220D+00 (turns, 3rd order) +ETURN4= -7.551985E-01 WEIGHT= 6.623000D-01 (turns, 4th order) +ETURN6= 0.000000E+00 WEIGHT= 0.000000D+00 (turns, 6th order) +ESCCOR= 0.000000E+00 WEIGHT= 0.000000D+00 (backbone-rotamer corr) +EDIHC= 0.000000E+00 (dihedral angle constraints) +ESS= 0.000000E+00 (disulfide-bridge intrinsic energy) +UCONST= 0.000000E+00 (Constraint energy) +EDFAD= 5.491269-315 (DFA distance energy) +EDFAT= 6.953158-310 (DFA torsion energy) +EDFAN= 6.953158-310 (DFA NCa energy) +EDFAB= 2.650815-317 (DFA Beta energy) +ETOT= -8.723730E+01 (total) +RMS deviation from the reference structure: 3.297 + % of native contacts: 25.000 + % of nonnative contacts: 82.353 + contact order: 0.353 + TM-score with the reference structure: 0.30 + Conformation # 67 read + + + Conformation # 65 sumsl return code 4 + +Virtual-chain energies: + +EVDW= -5.186846E+01 WEIGHT= 1.352790D+00 (SC-SC) +EVDW2= 3.687270E+01 WEIGHT= 1.593040D+00 (SC-p) +EES= -6.703374E+01 WEIGHT= 7.153400D-01 (p-p) +EVDWPP= -2.641379E+01 WEIGHT= 1.137100D-01 (p-p VDW) +ESTR= 0.000000E+00 WEIGHT= 1.000000D+00 (stretching) +EBE= -4.036413E+01 WEIGHT= 1.138730D+00 (bending) +ESC= 3.676547E+01 WEIGHT= 1.625800D-01 (SC local) +ETORS= 9.012940E+00 WEIGHT= 1.985990D+00 (torsional) +ETORSD= -2.382653E+00 WEIGHT= 1.570690D+00 (double torsional) +EHBP= 0.000000E+00 WEIGHT= 1.000000D+00 (SS bridges & dist. cnstr.) +ECORR4= -4.979189E+01 WEIGHT= 4.288700D-01 (multi-body) +ECORR5= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body) +ECORR6= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body) +EELLO= 5.277529E-01 WEIGHT= 1.603600D-01 (electrostatic-local) +ETURN3= 1.436494E+01 WEIGHT= 1.687220D+00 (turns, 3rd order) +ETURN4= 4.574259E-01 WEIGHT= 6.623000D-01 (turns, 4th order) +ETURN6= 0.000000E+00 WEIGHT= 0.000000D+00 (turns, 6th order) +ESCCOR= 0.000000E+00 WEIGHT= 0.000000D+00 (backbone-rotamer corr) +EDIHC= 0.000000E+00 (dihedral angle constraints) +ESS= 0.000000E+00 (disulfide-bridge intrinsic energy) +UCONST= 0.000000E+00 (Constraint energy) +EDFAD= 5.491269-315 (DFA distance energy) +EDFAT= 6.953158-310 (DFA torsion energy) +EDFAN= 6.953158-310 (DFA NCa energy) +EDFAB= 2.650815-317 (DFA Beta energy) +ETOT= -8.494206E+01 (total) +RMS deviation from the reference structure: 5.112 + % of native contacts: 33.333 + % of nonnative contacts: 78.947 + contact order: 0.361 + TM-score with the reference structure: 0.28 + Conformation # 68 read + + + Conformation # 58 sumsl return code 4 + +Virtual-chain energies: + +EVDW= -5.186232E+01 WEIGHT= 1.352790D+00 (SC-SC) +EVDW2= 3.807428E+01 WEIGHT= 1.593040D+00 (SC-p) +EES= -7.112529E+01 WEIGHT= 7.153400D-01 (p-p) +EVDWPP= -2.420347E+01 WEIGHT= 1.137100D-01 (p-p VDW) +ESTR= 0.000000E+00 WEIGHT= 1.000000D+00 (stretching) +EBE= -3.603353E+01 WEIGHT= 1.138730D+00 (bending) +ESC= 4.265332E+01 WEIGHT= 1.625800D-01 (SC local) +ETORS= 7.397902E+00 WEIGHT= 1.985990D+00 (torsional) +ETORSD= -2.708645E+00 WEIGHT= 1.570690D+00 (double torsional) +EHBP= 0.000000E+00 WEIGHT= 1.000000D+00 (SS bridges & dist. cnstr.) +ECORR4= -5.377590E+01 WEIGHT= 4.288700D-01 (multi-body) +ECORR5= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body) +ECORR6= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body) +EELLO= 5.479509E-01 WEIGHT= 1.603600D-01 (electrostatic-local) +ETURN3= 1.506095E+01 WEIGHT= 1.687220D+00 (turns, 3rd order) +ETURN4= 9.441086E-02 WEIGHT= 6.623000D-01 (turns, 4th order) +ETURN6= 0.000000E+00 WEIGHT= 0.000000D+00 (turns, 6th order) +ESCCOR= 0.000000E+00 WEIGHT= 0.000000D+00 (backbone-rotamer corr) +EDIHC= 0.000000E+00 (dihedral angle constraints) +ESS= 0.000000E+00 (disulfide-bridge intrinsic energy) +UCONST= 0.000000E+00 (Constraint energy) +EDFAD= 5.491269-315 (DFA distance energy) +EDFAT= 6.953158-310 (DFA torsion energy) +EDFAN= 6.953158-310 (DFA NCa energy) +EDFAB= 2.650815-317 (DFA Beta energy) +ETOT= -8.429742E+01 (total) +RMS deviation from the reference structure: 4.907 + % of native contacts: 33.333 + % of nonnative contacts: 77.778 + contact order: 0.399 + TM-score with the reference structure: 0.29 + Conformation # 69 read + + + Conformation # 62 sumsl return code 4 + +Virtual-chain energies: + +EVDW= -5.057064E+01 WEIGHT= 1.352790D+00 (SC-SC) +EVDW2= 4.074661E+01 WEIGHT= 1.593040D+00 (SC-p) +EES= -8.577540E+01 WEIGHT= 7.153400D-01 (p-p) +EVDWPP= -1.142730E+01 WEIGHT= 1.137100D-01 (p-p VDW) +ESTR= 0.000000E+00 WEIGHT= 1.000000D+00 (stretching) +EBE= -3.529805E+01 WEIGHT= 1.138730D+00 (bending) +ESC= 3.135663E+01 WEIGHT= 1.625800D-01 (SC local) +ETORS= 8.106742E+00 WEIGHT= 1.985990D+00 (torsional) +ETORSD= -3.708433E-01 WEIGHT= 1.570690D+00 (double torsional) +EHBP= 0.000000E+00 WEIGHT= 1.000000D+00 (SS bridges & dist. cnstr.) +ECORR4= -5.984167E+01 WEIGHT= 4.288700D-01 (multi-body) +ECORR5= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body) +ECORR6= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body) +EELLO= 3.690159E+00 WEIGHT= 1.603600D-01 (electrostatic-local) +ETURN3= 1.699486E+01 WEIGHT= 1.687220D+00 (turns, 3rd order) +ETURN4= -3.680174E+00 WEIGHT= 6.623000D-01 (turns, 4th order) +ETURN6= 0.000000E+00 WEIGHT= 0.000000D+00 (turns, 6th order) +ESCCOR= 0.000000E+00 WEIGHT= 0.000000D+00 (backbone-rotamer corr) +EDIHC= 0.000000E+00 (dihedral angle constraints) +ESS= 0.000000E+00 (disulfide-bridge intrinsic energy) +UCONST= 0.000000E+00 (Constraint energy) +EDFAD= 5.491269-315 (DFA distance energy) +EDFAT= 6.953158-310 (DFA torsion energy) +EDFAN= 6.953158-310 (DFA NCa energy) +EDFAB= 2.650815-317 (DFA Beta energy) +ETOT= -8.457385E+01 (total) +RMS deviation from the reference structure: 4.729 + % of native contacts: 16.667 + % of nonnative contacts: 87.500 + contact order: 0.398 + TM-score with the reference structure: 0.31 + Conformation # 70 read + + + Conformation # 67 sumsl return code 4 + +Virtual-chain energies: + +EVDW= -5.455168E+01 WEIGHT= 1.352790D+00 (SC-SC) +EVDW2= 5.219747E+01 WEIGHT= 1.593040D+00 (SC-p) +EES= -1.050905E+02 WEIGHT= 7.153400D-01 (p-p) +EVDWPP= -2.381681E+01 WEIGHT= 1.137100D-01 (p-p VDW) +ESTR= 0.000000E+00 WEIGHT= 1.000000D+00 (stretching) +EBE= -3.878552E+01 WEIGHT= 1.138730D+00 (bending) +ESC= 4.519645E+01 WEIGHT= 1.625800D-01 (SC local) +ETORS= 9.338368E+00 WEIGHT= 1.985990D+00 (torsional) +ETORSD= 3.081421E-01 WEIGHT= 1.570690D+00 (double torsional) +EHBP= 0.000000E+00 WEIGHT= 1.000000D+00 (SS bridges & dist. cnstr.) +ECORR4= -7.962151E+01 WEIGHT= 4.288700D-01 (multi-body) +ECORR5= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body) +ECORR6= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body) +EELLO= -5.479811E+00 WEIGHT= 1.603600D-01 (electrostatic-local) +ETURN3= 1.881440E+01 WEIGHT= 1.687220D+00 (turns, 3rd order) +ETURN4= -2.180121E+00 WEIGHT= 6.623000D-01 (turns, 4th order) +ETURN6= 0.000000E+00 WEIGHT= 0.000000D+00 (turns, 6th order) +ESCCOR= 0.000000E+00 WEIGHT= 0.000000D+00 (backbone-rotamer corr) +EDIHC= 0.000000E+00 (dihedral angle constraints) +ESS= 0.000000E+00 (disulfide-bridge intrinsic energy) +UCONST= 0.000000E+00 (Constraint energy) +EDFAD= 5.491269-315 (DFA distance energy) +EDFAT= 6.953158-310 (DFA torsion energy) +EDFAN= 6.953158-310 (DFA NCa energy) +EDFAB= 2.650815-317 (DFA Beta energy) +ETOT= -9.104212E+01 (total) +RMS deviation from the reference structure: 3.058 + % of native contacts: 58.333 + % of nonnative contacts: 68.182 + contact order: 0.279 + TM-score with the reference structure: 0.30 + Conformation # 71 read + + + Conformation # 63 sumsl return code 4 + +Virtual-chain energies: + +EVDW= -4.838675E+01 WEIGHT= 1.352790D+00 (SC-SC) +EVDW2= 5.329709E+01 WEIGHT= 1.593040D+00 (SC-p) +EES= -1.156802E+02 WEIGHT= 7.153400D-01 (p-p) +EVDWPP= -1.743391E+01 WEIGHT= 1.137100D-01 (p-p VDW) +ESTR= 0.000000E+00 WEIGHT= 1.000000D+00 (stretching) +EBE= -4.220411E+01 WEIGHT= 1.138730D+00 (bending) +ESC= 3.582485E+01 WEIGHT= 1.625800D-01 (SC local) +ETORS= 1.225123E+01 WEIGHT= 1.985990D+00 (torsional) +ETORSD= 4.195183E-01 WEIGHT= 1.570690D+00 (double torsional) +EHBP= 0.000000E+00 WEIGHT= 1.000000D+00 (SS bridges & dist. cnstr.) +ECORR4= -8.224275E+01 WEIGHT= 4.288700D-01 (multi-body) +ECORR5= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body) +ECORR6= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body) +EELLO= -1.075349E+01 WEIGHT= 1.603600D-01 (electrostatic-local) +ETURN3= 1.969166E+01 WEIGHT= 1.687220D+00 (turns, 3rd order) +ETURN4= 9.440083E-01 WEIGHT= 6.623000D-01 (turns, 4th order) +ETURN6= 0.000000E+00 WEIGHT= 0.000000D+00 (turns, 6th order) +ESCCOR= 0.000000E+00 WEIGHT= 0.000000D+00 (backbone-rotamer corr) +EDIHC= 0.000000E+00 (dihedral angle constraints) +ESS= 0.000000E+00 (disulfide-bridge intrinsic energy) +UCONST= 0.000000E+00 (Constraint energy) +EDFAD= 5.491269-315 (DFA distance energy) +EDFAT= 6.953158-310 (DFA torsion energy) +EDFAN= 6.953158-310 (DFA NCa energy) +EDFAB= 2.650815-317 (DFA Beta energy) +ETOT= -8.567723E+01 (total) +RMS deviation from the reference structure: 3.888 + % of native contacts: 50.000 + % of nonnative contacts: 71.429 + contact order: 0.323 + TM-score with the reference structure: 0.32 + Conformation # 72 read + + + Conformation # 71 sumsl return code 4 + +Virtual-chain energies: + +EVDW= -4.955611E+01 WEIGHT= 1.352790D+00 (SC-SC) +EVDW2= 4.930650E+01 WEIGHT= 1.593040D+00 (SC-p) +EES= -9.298890E+01 WEIGHT= 7.153400D-01 (p-p) +EVDWPP= -2.833676E+01 WEIGHT= 1.137100D-01 (p-p VDW) +ESTR= 0.000000E+00 WEIGHT= 1.000000D+00 (stretching) +EBE= -4.043403E+01 WEIGHT= 1.138730D+00 (bending) +ESC= 2.435709E+01 WEIGHT= 1.625800D-01 (SC local) +ETORS= 1.041503E+01 WEIGHT= 1.985990D+00 (torsional) +ETORSD= -2.684490E+00 WEIGHT= 1.570690D+00 (double torsional) +EHBP= 0.000000E+00 WEIGHT= 1.000000D+00 (SS bridges & dist. cnstr.) +ECORR4= -7.150136E+01 WEIGHT= 4.288700D-01 (multi-body) +ECORR5= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body) +ECORR6= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body) +EELLO= -5.720917E+00 WEIGHT= 1.603600D-01 (electrostatic-local) +ETURN3= 1.743149E+01 WEIGHT= 1.687220D+00 (turns, 3rd order) +ETURN4= 1.804284E+00 WEIGHT= 6.623000D-01 (turns, 4th order) +ETURN6= 0.000000E+00 WEIGHT= 0.000000D+00 (turns, 6th order) +ESCCOR= 0.000000E+00 WEIGHT= 0.000000D+00 (backbone-rotamer corr) +EDIHC= 0.000000E+00 (dihedral angle constraints) +ESS= 0.000000E+00 (disulfide-bridge intrinsic energy) +UCONST= 0.000000E+00 (Constraint energy) +EDFAD= 5.491269-315 (DFA distance energy) +EDFAT= 6.953158-310 (DFA torsion energy) +EDFAN= 6.953158-310 (DFA NCa energy) +EDFAB= 2.650815-317 (DFA Beta energy) +ETOT= -8.482491E+01 (total) +RMS deviation from the reference structure: 3.837 + % of native contacts: 50.000 + % of nonnative contacts: 68.421 + contact order: 0.278 + TM-score with the reference structure: 0.33 + Conformation # 73 read + + + Conformation # 66 sumsl return code 4 + +Virtual-chain energies: + +EVDW= -5.558862E+01 WEIGHT= 1.352790D+00 (SC-SC) +EVDW2= 4.099564E+01 WEIGHT= 1.593040D+00 (SC-p) +EES= -7.263991E+01 WEIGHT= 7.153400D-01 (p-p) +EVDWPP= -2.871983E+01 WEIGHT= 1.137100D-01 (p-p VDW) +ESTR= 0.000000E+00 WEIGHT= 1.000000D+00 (stretching) +EBE= -3.983438E+01 WEIGHT= 1.138730D+00 (bending) +ESC= 4.878720E+01 WEIGHT= 1.625800D-01 (SC local) +ETORS= 1.077193E+01 WEIGHT= 1.985990D+00 (torsional) +ETORSD= -2.090169E-01 WEIGHT= 1.570690D+00 (double torsional) +EHBP= 0.000000E+00 WEIGHT= 1.000000D+00 (SS bridges & dist. cnstr.) +ECORR4= -4.736706E+01 WEIGHT= 4.288700D-01 (multi-body) +ECORR5= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body) +ECORR6= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body) +EELLO= 3.065615E+00 WEIGHT= 1.603600D-01 (electrostatic-local) +ETURN3= 1.303590E+01 WEIGHT= 1.687220D+00 (turns, 3rd order) +ETURN4= -7.783258E+00 WEIGHT= 6.623000D-01 (turns, 4th order) +ETURN6= 0.000000E+00 WEIGHT= 0.000000D+00 (turns, 6th order) +ESCCOR= 0.000000E+00 WEIGHT= 0.000000D+00 (backbone-rotamer corr) +EDIHC= 0.000000E+00 (dihedral angle constraints) +ESS= 0.000000E+00 (disulfide-bridge intrinsic energy) +UCONST= 0.000000E+00 (Constraint energy) +EDFAD= 5.491269-315 (DFA distance energy) +EDFAT= 6.953158-310 (DFA torsion energy) +EDFAN= 6.953158-310 (DFA NCa energy) +EDFAB= 2.650815-317 (DFA Beta energy) +ETOT= -8.446727E+01 (total) +RMS deviation from the reference structure: 4.248 + % of native contacts: 25.000 + % of nonnative contacts: 80.000 + contact order: 0.355 + TM-score with the reference structure: 0.26 + Conformation # 74 read + + + Conformation # 73 sumsl return code 4 + +Virtual-chain energies: + +EVDW= -5.070442E+01 WEIGHT= 1.352790D+00 (SC-SC) +EVDW2= 3.873356E+01 WEIGHT= 1.593040D+00 (SC-p) +EES= -7.528914E+01 WEIGHT= 7.153400D-01 (p-p) +EVDWPP= -1.629209E+01 WEIGHT= 1.137100D-01 (p-p VDW) +ESTR= 0.000000E+00 WEIGHT= 1.000000D+00 (stretching) +EBE= -3.705370E+01 WEIGHT= 1.138730D+00 (bending) +ESC= 4.089260E+01 WEIGHT= 1.625800D-01 (SC local) +ETORS= 8.532795E+00 WEIGHT= 1.985990D+00 (torsional) +ETORSD= -1.191087E+00 WEIGHT= 1.570690D+00 (double torsional) +EHBP= 0.000000E+00 WEIGHT= 1.000000D+00 (SS bridges & dist. cnstr.) +ECORR4= -5.469123E+01 WEIGHT= 4.288700D-01 (multi-body) +ECORR5= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body) +ECORR6= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body) +EELLO= 3.129515E+00 WEIGHT= 1.603600D-01 (electrostatic-local) +ETURN3= 1.442443E+01 WEIGHT= 1.687220D+00 (turns, 3rd order) +ETURN4= -3.119318E+00 WEIGHT= 6.623000D-01 (turns, 4th order) +ETURN6= 0.000000E+00 WEIGHT= 0.000000D+00 (turns, 6th order) +ESCCOR= 0.000000E+00 WEIGHT= 0.000000D+00 (backbone-rotamer corr) +EDIHC= 0.000000E+00 (dihedral angle constraints) +ESS= 0.000000E+00 (disulfide-bridge intrinsic energy) +UCONST= 0.000000E+00 (Constraint energy) +EDFAD= 5.491269-315 (DFA distance energy) +EDFAT= 6.953158-310 (DFA torsion energy) +EDFAN= 6.953158-310 (DFA NCa energy) +EDFAB= 2.650815-317 (DFA Beta energy) +ETOT= -8.375117E+01 (total) +RMS deviation from the reference structure: 4.797 + % of native contacts: 25.000 + % of nonnative contacts: 83.333 + contact order: 0.449 + TM-score with the reference structure: 0.28 + Conformation # 75 read + + + Conformation # 68 sumsl return code 4 + +Virtual-chain energies: + +EVDW= -5.185202E+01 WEIGHT= 1.352790D+00 (SC-SC) +EVDW2= 4.306902E+01 WEIGHT= 1.593040D+00 (SC-p) +EES= -7.142382E+01 WEIGHT= 7.153400D-01 (p-p) +EVDWPP= -4.068427E+01 WEIGHT= 1.137100D-01 (p-p VDW) +ESTR= 0.000000E+00 WEIGHT= 1.000000D+00 (stretching) +EBE= -3.737453E+01 WEIGHT= 1.138730D+00 (bending) +ESC= 3.911609E+01 WEIGHT= 1.625800D-01 (SC local) +ETORS= 7.209737E+00 WEIGHT= 1.985990D+00 (torsional) +ETORSD= -1.672418E+00 WEIGHT= 1.570690D+00 (double torsional) +EHBP= 0.000000E+00 WEIGHT= 1.000000D+00 (SS bridges & dist. cnstr.) +ECORR4= -5.441112E+01 WEIGHT= 4.288700D-01 (multi-body) +ECORR5= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body) +ECORR6= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body) +EELLO= -2.262242E+00 WEIGHT= 1.603600D-01 (electrostatic-local) +ETURN3= 1.274248E+01 WEIGHT= 1.687220D+00 (turns, 3rd order) +ETURN4= 4.334053E-01 WEIGHT= 6.623000D-01 (turns, 4th order) +ETURN6= 0.000000E+00 WEIGHT= 0.000000D+00 (turns, 6th order) +ESCCOR= 0.000000E+00 WEIGHT= 0.000000D+00 (backbone-rotamer corr) +EDIHC= 0.000000E+00 (dihedral angle constraints) +ESS= 0.000000E+00 (disulfide-bridge intrinsic energy) +UCONST= 0.000000E+00 (Constraint energy) +EDFAD= 5.491269-315 (DFA distance energy) +EDFAT= 6.953158-310 (DFA torsion energy) +EDFAN= 6.953158-310 (DFA NCa energy) +EDFAB= 2.650815-317 (DFA Beta energy) +ETOT= -8.367279E+01 (total) +RMS deviation from the reference structure: 3.393 + % of native contacts: 41.667 + % of nonnative contacts: 78.261 + contact order: 0.403 + TM-score with the reference structure: 0.25 + Conformation # 76 read + + + Conformation # 70 sumsl return code 4 + +Virtual-chain energies: + +EVDW= -4.941332E+01 WEIGHT= 1.352790D+00 (SC-SC) +EVDW2= 4.327549E+01 WEIGHT= 1.593040D+00 (SC-p) +EES= -7.973914E+01 WEIGHT= 7.153400D-01 (p-p) +EVDWPP= -3.224179E+01 WEIGHT= 1.137100D-01 (p-p VDW) +ESTR= 0.000000E+00 WEIGHT= 1.000000D+00 (stretching) +EBE= -3.907734E+01 WEIGHT= 1.138730D+00 (bending) +ESC= 3.175026E+01 WEIGHT= 1.625800D-01 (SC local) +ETORS= 1.108134E+01 WEIGHT= 1.985990D+00 (torsional) +ETORSD= -3.746853E+00 WEIGHT= 1.570690D+00 (double torsional) +EHBP= 0.000000E+00 WEIGHT= 1.000000D+00 (SS bridges & dist. cnstr.) +ECORR4= -6.063216E+01 WEIGHT= 4.288700D-01 (multi-body) +ECORR5= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body) +ECORR6= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body) +EELLO= -1.044895E+00 WEIGHT= 1.603600D-01 (electrostatic-local) +ETURN3= 1.277766E+01 WEIGHT= 1.687220D+00 (turns, 3rd order) +ETURN4= 1.359596E+00 WEIGHT= 6.623000D-01 (turns, 4th order) +ETURN6= 0.000000E+00 WEIGHT= 0.000000D+00 (turns, 6th order) +ESCCOR= 0.000000E+00 WEIGHT= 0.000000D+00 (backbone-rotamer corr) +EDIHC= 0.000000E+00 (dihedral angle constraints) +ESS= 0.000000E+00 (disulfide-bridge intrinsic energy) +UCONST= 0.000000E+00 (Constraint energy) +EDFAD= 5.491269-315 (DFA distance energy) +EDFAT= 6.953158-310 (DFA torsion energy) +EDFAN= 6.953158-310 (DFA NCa energy) +EDFAB= 2.650815-317 (DFA Beta energy) +ETOT= -8.553904E+01 (total) +RMS deviation from the reference structure: 4.457 + % of native contacts: 33.333 + % of nonnative contacts: 80.000 + contact order: 0.343 + TM-score with the reference structure: 0.32 + Conformation # 77 read + + + Conformation # 75 sumsl return code 4 + +Virtual-chain energies: + +EVDW= -5.092030E+01 WEIGHT= 1.352790D+00 (SC-SC) +EVDW2= 4.785689E+01 WEIGHT= 1.593040D+00 (SC-p) +EES= -9.703989E+01 WEIGHT= 7.153400D-01 (p-p) +EVDWPP= -2.112290E+01 WEIGHT= 1.137100D-01 (p-p VDW) +ESTR= 0.000000E+00 WEIGHT= 1.000000D+00 (stretching) +EBE= -4.155311E+01 WEIGHT= 1.138730D+00 (bending) +ESC= 4.015582E+01 WEIGHT= 1.625800D-01 (SC local) +ETORS= 1.117221E+01 WEIGHT= 1.985990D+00 (torsional) +ETORSD= -2.062745E+00 WEIGHT= 1.570690D+00 (double torsional) +EHBP= 0.000000E+00 WEIGHT= 1.000000D+00 (SS bridges & dist. cnstr.) +ECORR4= -7.085881E+01 WEIGHT= 4.288700D-01 (multi-body) +ECORR5= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body) +ECORR6= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body) +EELLO= -1.861471E+00 WEIGHT= 1.603600D-01 (electrostatic-local) +ETURN3= 1.888590E+01 WEIGHT= 1.687220D+00 (turns, 3rd order) +ETURN4= -2.256480E+00 WEIGHT= 6.623000D-01 (turns, 4th order) +ETURN6= 0.000000E+00 WEIGHT= 0.000000D+00 (turns, 6th order) +ESCCOR= 0.000000E+00 WEIGHT= 0.000000D+00 (backbone-rotamer corr) +EDIHC= 0.000000E+00 (dihedral angle constraints) +ESS= 0.000000E+00 (disulfide-bridge intrinsic energy) +UCONST= 0.000000E+00 (Constraint energy) +EDFAD= 5.491269-315 (DFA distance energy) +EDFAT= 6.953158-310 (DFA torsion energy) +EDFAN= 6.953158-310 (DFA NCa energy) +EDFAB= 2.650815-317 (DFA Beta energy) +ETOT= -8.662372E+01 (total) +RMS deviation from the reference structure: 3.111 + % of native contacts: 25.000 + % of nonnative contacts: 82.353 + contact order: 0.345 + TM-score with the reference structure: 0.30 + Conformation # 78 read + + + Conformation # 72 sumsl return code 4 + +Virtual-chain energies: + +EVDW= -5.202642E+01 WEIGHT= 1.352790D+00 (SC-SC) +EVDW2= 3.719718E+01 WEIGHT= 1.593040D+00 (SC-p) +EES= -6.632733E+01 WEIGHT= 7.153400D-01 (p-p) +EVDWPP= -2.983163E+01 WEIGHT= 1.137100D-01 (p-p VDW) +ESTR= 0.000000E+00 WEIGHT= 1.000000D+00 (stretching) +EBE= -3.708483E+01 WEIGHT= 1.138730D+00 (bending) +ESC= 3.442534E+01 WEIGHT= 1.625800D-01 (SC local) +ETORS= 5.991446E+00 WEIGHT= 1.985990D+00 (torsional) +ETORSD= -8.175710E-01 WEIGHT= 1.570690D+00 (double torsional) +EHBP= 0.000000E+00 WEIGHT= 1.000000D+00 (SS bridges & dist. cnstr.) +ECORR4= -4.825685E+01 WEIGHT= 4.288700D-01 (multi-body) +ECORR5= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body) +ECORR6= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body) +EELLO= -7.114080E-01 WEIGHT= 1.603600D-01 (electrostatic-local) +ETURN3= 1.436691E+01 WEIGHT= 1.687220D+00 (turns, 3rd order) +ETURN4= -1.579530E+00 WEIGHT= 6.623000D-01 (turns, 4th order) +ETURN6= 0.000000E+00 WEIGHT= 0.000000D+00 (turns, 6th order) +ESCCOR= 0.000000E+00 WEIGHT= 0.000000D+00 (backbone-rotamer corr) +EDIHC= 0.000000E+00 (dihedral angle constraints) +ESS= 0.000000E+00 (disulfide-bridge intrinsic energy) +UCONST= 0.000000E+00 (Constraint energy) +EDFAD= 5.491269-315 (DFA distance energy) +EDFAT= 6.953158-310 (DFA torsion energy) +EDFAN= 6.953158-310 (DFA NCa energy) +EDFAB= 2.650815-317 (DFA Beta energy) +ETOT= -8.559688E+01 (total) +RMS deviation from the reference structure: 4.213 + % of native contacts: 33.333 + % of nonnative contacts: 78.947 + contact order: 0.380 + TM-score with the reference structure: 0.29 + Conformation # 79 read + + + Conformation # 77 sumsl return code 4 + +Virtual-chain energies: + +EVDW= -5.270228E+01 WEIGHT= 1.352790D+00 (SC-SC) +EVDW2= 5.502728E+01 WEIGHT= 1.593040D+00 (SC-p) +EES= -1.136852E+02 WEIGHT= 7.153400D-01 (p-p) +EVDWPP= -1.504331E+01 WEIGHT= 1.137100D-01 (p-p VDW) +ESTR= 0.000000E+00 WEIGHT= 1.000000D+00 (stretching) +EBE= -4.093744E+01 WEIGHT= 1.138730D+00 (bending) +ESC= 3.996051E+01 WEIGHT= 1.625800D-01 (SC local) +ETORS= 1.458986E+01 WEIGHT= 1.985990D+00 (torsional) +ETORSD= -1.929067E+00 WEIGHT= 1.570690D+00 (double torsional) +EHBP= 0.000000E+00 WEIGHT= 1.000000D+00 (SS bridges & dist. cnstr.) +ECORR4= -8.308958E+01 WEIGHT= 4.288700D-01 (multi-body) +ECORR5= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body) +ECORR6= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body) +EELLO= -1.665224E+00 WEIGHT= 1.603600D-01 (electrostatic-local) +ETURN3= 1.893201E+01 WEIGHT= 1.687220D+00 (turns, 3rd order) +ETURN4= -1.541986E-01 WEIGHT= 6.623000D-01 (turns, 4th order) +ETURN6= 0.000000E+00 WEIGHT= 0.000000D+00 (turns, 6th order) +ESCCOR= 0.000000E+00 WEIGHT= 0.000000D+00 (backbone-rotamer corr) +EDIHC= 0.000000E+00 (dihedral angle constraints) +ESS= 0.000000E+00 (disulfide-bridge intrinsic energy) +UCONST= 0.000000E+00 (Constraint energy) +EDFAD= 5.491269-315 (DFA distance energy) +EDFAT= 6.953158-310 (DFA torsion energy) +EDFAN= 6.953158-310 (DFA NCa energy) +EDFAB= 2.650815-317 (DFA Beta energy) +ETOT= -8.490451E+01 (total) +RMS deviation from the reference structure: 3.061 + % of native contacts: 58.333 + % of nonnative contacts: 69.565 + contact order: 0.370 + TM-score with the reference structure: 0.31 + Conformation # 80 read + + + Conformation # 79 sumsl return code 4 + +Virtual-chain energies: + +EVDW= -5.341258E+01 WEIGHT= 1.352790D+00 (SC-SC) +EVDW2= 5.243747E+01 WEIGHT= 1.593040D+00 (SC-p) +EES= -1.050399E+02 WEIGHT= 7.153400D-01 (p-p) +EVDWPP= -2.565287E+01 WEIGHT= 1.137100D-01 (p-p VDW) +ESTR= 0.000000E+00 WEIGHT= 1.000000D+00 (stretching) +EBE= -3.714976E+01 WEIGHT= 1.138730D+00 (bending) +ESC= 4.875607E+01 WEIGHT= 1.625800D-01 (SC local) +ETORS= 8.727249E+00 WEIGHT= 1.985990D+00 (torsional) +ETORSD= -4.808561E-01 WEIGHT= 1.570690D+00 (double torsional) +EHBP= 0.000000E+00 WEIGHT= 1.000000D+00 (SS bridges & dist. cnstr.) +ECORR4= -7.774905E+01 WEIGHT= 4.288700D-01 (multi-body) +ECORR5= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body) +ECORR6= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body) +EELLO= -6.233475E+00 WEIGHT= 1.603600D-01 (electrostatic-local) +ETURN3= 1.861225E+01 WEIGHT= 1.687220D+00 (turns, 3rd order) +ETURN4= -3.151985E+00 WEIGHT= 6.623000D-01 (turns, 4th order) +ETURN6= 0.000000E+00 WEIGHT= 0.000000D+00 (turns, 6th order) +ESCCOR= 0.000000E+00 WEIGHT= 0.000000D+00 (backbone-rotamer corr) +EDIHC= 0.000000E+00 (dihedral angle constraints) +ESS= 0.000000E+00 (disulfide-bridge intrinsic energy) +UCONST= 0.000000E+00 (Constraint energy) +EDFAD= 5.491269-315 (DFA distance energy) +EDFAT= 6.953158-310 (DFA torsion energy) +EDFAN= 6.953158-310 (DFA NCa energy) +EDFAB= 2.650815-317 (DFA Beta energy) +ETOT= -8.960553E+01 (total) +RMS deviation from the reference structure: 2.212 + % of native contacts: 66.667 + % of nonnative contacts: 60.000 + contact order: 0.314 + TM-score with the reference structure: 0.31 + Conformation # 81 read + + + Conformation # 80 sumsl return code 4 + +Virtual-chain energies: + +EVDW= -5.034280E+01 WEIGHT= 1.352790D+00 (SC-SC) +EVDW2= 4.944940E+01 WEIGHT= 1.593040D+00 (SC-p) +EES= -1.039191E+02 WEIGHT= 7.153400D-01 (p-p) +EVDWPP= -1.890786E+01 WEIGHT= 1.137100D-01 (p-p VDW) +ESTR= 0.000000E+00 WEIGHT= 1.000000D+00 (stretching) +EBE= -4.181616E+01 WEIGHT= 1.138730D+00 (bending) +ESC= 4.984295E+01 WEIGHT= 1.625800D-01 (SC local) +ETORS= 1.106015E+01 WEIGHT= 1.985990D+00 (torsional) +ETORSD= 1.023298E+00 WEIGHT= 1.570690D+00 (double torsional) +EHBP= 0.000000E+00 WEIGHT= 1.000000D+00 (SS bridges & dist. cnstr.) +ECORR4= -7.323080E+01 WEIGHT= 4.288700D-01 (multi-body) +ECORR5= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body) +ECORR6= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body) +EELLO= -9.436675E-01 WEIGHT= 1.603600D-01 (electrostatic-local) +ETURN3= 1.777731E+01 WEIGHT= 1.687220D+00 (turns, 3rd order) +ETURN4= -3.457531E+00 WEIGHT= 6.623000D-01 (turns, 4th order) +ETURN6= 0.000000E+00 WEIGHT= 0.000000D+00 (turns, 6th order) +ESCCOR= 0.000000E+00 WEIGHT= 0.000000D+00 (backbone-rotamer corr) +EDIHC= 0.000000E+00 (dihedral angle constraints) +ESS= 0.000000E+00 (disulfide-bridge intrinsic energy) +UCONST= 0.000000E+00 (Constraint energy) +EDFAD= 5.491269-315 (DFA distance energy) +EDFAT= 6.953158-310 (DFA torsion energy) +EDFAN= 6.953158-310 (DFA NCa energy) +EDFAB= 2.650815-317 (DFA Beta energy) +ETOT= -8.561058E+01 (total) +RMS deviation from the reference structure: 4.041 + % of native contacts: 33.333 + % of nonnative contacts: 80.000 + contact order: 0.261 + TM-score with the reference structure: 0.31 + Conformation # 82 read + + + Conformation # 34 sumsl return code 4 + +Virtual-chain energies: + +EVDW= -5.327677E+01 WEIGHT= 1.352790D+00 (SC-SC) +EVDW2= 4.785569E+01 WEIGHT= 1.593040D+00 (SC-p) +EES= -9.408768E+01 WEIGHT= 7.153400D-01 (p-p) +EVDWPP= -3.013096E+01 WEIGHT= 1.137100D-01 (p-p VDW) +ESTR= 0.000000E+00 WEIGHT= 1.000000D+00 (stretching) +EBE= -3.638280E+01 WEIGHT= 1.138730D+00 (bending) +ESC= 3.624299E+01 WEIGHT= 1.625800D-01 (SC local) +ETORS= 8.782741E+00 WEIGHT= 1.985990D+00 (torsional) +ETORSD= 6.159791E-02 WEIGHT= 1.570690D+00 (double torsional) +EHBP= 0.000000E+00 WEIGHT= 1.000000D+00 (SS bridges & dist. cnstr.) +ECORR4= -7.185862E+01 WEIGHT= 4.288700D-01 (multi-body) +ECORR5= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body) +ECORR6= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body) +EELLO= -7.298110E+00 WEIGHT= 1.603600D-01 (electrostatic-local) +ETURN3= 1.723138E+01 WEIGHT= 1.687220D+00 (turns, 3rd order) +ETURN4= -2.151824E-01 WEIGHT= 6.623000D-01 (turns, 4th order) +ETURN6= 0.000000E+00 WEIGHT= 0.000000D+00 (turns, 6th order) +ESCCOR= 0.000000E+00 WEIGHT= 0.000000D+00 (backbone-rotamer corr) +EDIHC= 0.000000E+00 (dihedral angle constraints) +ESS= 0.000000E+00 (disulfide-bridge intrinsic energy) +UCONST= 0.000000E+00 (Constraint energy) +EDFAD= 5.491269-315 (DFA distance energy) +EDFAT= 6.953158-310 (DFA torsion energy) +EDFAN= 6.953158-310 (DFA NCa energy) +EDFAB= 2.650815-317 (DFA Beta energy) +ETOT= -8.762345E+01 (total) +RMS deviation from the reference structure: 3.373 + % of native contacts: 50.000 + % of nonnative contacts: 73.913 + contact order: 0.318 + TM-score with the reference structure: 0.32 + Conformation # 83 read + + + Conformation # 78 sumsl return code 4 + +Virtual-chain energies: + +EVDW= -5.259873E+01 WEIGHT= 1.352790D+00 (SC-SC) +EVDW2= 4.539096E+01 WEIGHT= 1.593040D+00 (SC-p) +EES= -9.292482E+01 WEIGHT= 7.153400D-01 (p-p) +EVDWPP= -2.530713E+01 WEIGHT= 1.137100D-01 (p-p VDW) +ESTR= 0.000000E+00 WEIGHT= 1.000000D+00 (stretching) +EBE= -4.174051E+01 WEIGHT= 1.138730D+00 (bending) +ESC= 4.192592E+01 WEIGHT= 1.625800D-01 (SC local) +ETORS= 1.110695E+01 WEIGHT= 1.985990D+00 (torsional) +ETORSD= -9.768233E-02 WEIGHT= 1.570690D+00 (double torsional) +EHBP= 0.000000E+00 WEIGHT= 1.000000D+00 (SS bridges & dist. cnstr.) +ECORR4= -6.361707E+01 WEIGHT= 4.288700D-01 (multi-body) +ECORR5= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body) +ECORR6= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body) +EELLO= -4.792713E+00 WEIGHT= 1.603600D-01 (electrostatic-local) +ETURN3= 1.655658E+01 WEIGHT= 1.687220D+00 (turns, 3rd order) +ETURN4= 2.321222E+00 WEIGHT= 6.623000D-01 (turns, 4th order) +ETURN6= 0.000000E+00 WEIGHT= 0.000000D+00 (turns, 6th order) +ESCCOR= 0.000000E+00 WEIGHT= 0.000000D+00 (backbone-rotamer corr) +EDIHC= 0.000000E+00 (dihedral angle constraints) +ESS= 0.000000E+00 (disulfide-bridge intrinsic energy) +UCONST= 0.000000E+00 (Constraint energy) +EDFAD= 5.491269-315 (DFA distance energy) +EDFAT= 6.953158-310 (DFA torsion energy) +EDFAN= 6.953158-310 (DFA NCa energy) +EDFAB= 2.650815-317 (DFA Beta energy) +ETOT= -8.558602E+01 (total) +RMS deviation from the reference structure: 3.730 + % of native contacts: 41.667 + % of nonnative contacts: 76.190 + contact order: 0.312 + TM-score with the reference structure: 0.27 + Conformation # 84 read + + + Conformation # 83 sumsl return code 4 + +Virtual-chain energies: + +EVDW= -4.967079E+01 WEIGHT= 1.352790D+00 (SC-SC) +EVDW2= 4.575443E+01 WEIGHT= 1.593040D+00 (SC-p) +EES= -9.058588E+01 WEIGHT= 7.153400D-01 (p-p) +EVDWPP= -1.802426E+01 WEIGHT= 1.137100D-01 (p-p VDW) +ESTR= 0.000000E+00 WEIGHT= 1.000000D+00 (stretching) +EBE= -3.814456E+01 WEIGHT= 1.138730D+00 (bending) +ESC= 3.798496E+01 WEIGHT= 1.625800D-01 (SC local) +ETORS= 8.347573E+00 WEIGHT= 1.985990D+00 (torsional) +ETORSD= -2.343764E+00 WEIGHT= 1.570690D+00 (double torsional) +EHBP= 0.000000E+00 WEIGHT= 1.000000D+00 (SS bridges & dist. cnstr.) +ECORR4= -6.813979E+01 WEIGHT= 4.288700D-01 (multi-body) +ECORR5= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body) +ECORR6= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body) +EELLO= -4.057028E+00 WEIGHT= 1.603600D-01 (electrostatic-local) +ETURN3= 1.857192E+01 WEIGHT= 1.687220D+00 (turns, 3rd order) +ETURN4= -1.560471E+00 WEIGHT= 6.623000D-01 (turns, 4th order) +ETURN6= 0.000000E+00 WEIGHT= 0.000000D+00 (turns, 6th order) +ESCCOR= 0.000000E+00 WEIGHT= 0.000000D+00 (backbone-rotamer corr) +EDIHC= 0.000000E+00 (dihedral angle constraints) +ESS= 0.000000E+00 (disulfide-bridge intrinsic energy) +UCONST= 0.000000E+00 (Constraint energy) +EDFAD= 5.491269-315 (DFA distance energy) +EDFAT= 6.953158-310 (DFA torsion energy) +EDFAN= 6.953158-310 (DFA NCa energy) +EDFAB= 2.650815-317 (DFA Beta energy) +ETOT= -8.509093E+01 (total) +RMS deviation from the reference structure: 6.810 + % of native contacts: 25.000 + % of nonnative contacts: 83.333 + contact order: 0.255 + TM-score with the reference structure: 0.29 + Conformation # 85 read + + + Conformation # 82 sumsl return code 4 + +Virtual-chain energies: + +EVDW= -5.396731E+01 WEIGHT= 1.352790D+00 (SC-SC) +EVDW2= 5.114525E+01 WEIGHT= 1.593040D+00 (SC-p) +EES= -1.000224E+02 WEIGHT= 7.153400D-01 (p-p) +EVDWPP= -2.232399E+01 WEIGHT= 1.137100D-01 (p-p VDW) +ESTR= 0.000000E+00 WEIGHT= 1.000000D+00 (stretching) +EBE= -3.899427E+01 WEIGHT= 1.138730D+00 (bending) +ESC= 6.074529E+01 WEIGHT= 1.625800D-01 (SC local) +ETORS= 8.985932E+00 WEIGHT= 1.985990D+00 (torsional) +ETORSD= -1.963411E+00 WEIGHT= 1.570690D+00 (double torsional) +EHBP= 0.000000E+00 WEIGHT= 1.000000D+00 (SS bridges & dist. cnstr.) +ECORR4= -7.628854E+01 WEIGHT= 4.288700D-01 (multi-body) +ECORR5= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body) +ECORR6= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body) +EELLO= 2.874693E+00 WEIGHT= 1.603600D-01 (electrostatic-local) +ETURN3= 1.922625E+01 WEIGHT= 1.687220D+00 (turns, 3rd order) +ETURN4= -1.775780E+00 WEIGHT= 6.623000D-01 (turns, 4th order) +ETURN6= 0.000000E+00 WEIGHT= 0.000000D+00 (turns, 6th order) +ESCCOR= 0.000000E+00 WEIGHT= 0.000000D+00 (backbone-rotamer corr) +EDIHC= 0.000000E+00 (dihedral angle constraints) +ESS= 0.000000E+00 (disulfide-bridge intrinsic energy) +UCONST= 0.000000E+00 (Constraint energy) +EDFAD= 5.491269-315 (DFA distance energy) +EDFAT= 6.953158-310 (DFA torsion energy) +EDFAN= 6.953158-310 (DFA NCa energy) +EDFAB= 2.650815-317 (DFA Beta energy) +ETOT= -8.637846E+01 (total) +RMS deviation from the reference structure: 5.517 + % of native contacts: 33.333 + % of nonnative contacts: 80.000 + contact order: 0.230 + TM-score with the reference structure: 0.29 + Conformation # 86 read + + + Conformation # 85 sumsl return code 4 + +Virtual-chain energies: + +EVDW= -5.496483E+01 WEIGHT= 1.352790D+00 (SC-SC) +EVDW2= 4.737495E+01 WEIGHT= 1.593040D+00 (SC-p) +EES= -8.628896E+01 WEIGHT= 7.153400D-01 (p-p) +EVDWPP= -3.645443E+01 WEIGHT= 1.137100D-01 (p-p VDW) +ESTR= 0.000000E+00 WEIGHT= 1.000000D+00 (stretching) +EBE= -3.798831E+01 WEIGHT= 1.138730D+00 (bending) +ESC= 4.645872E+01 WEIGHT= 1.625800D-01 (SC local) +ETORS= 1.100794E+01 WEIGHT= 1.985990D+00 (torsional) +ETORSD= -4.124845E+00 WEIGHT= 1.570690D+00 (double torsional) +EHBP= 0.000000E+00 WEIGHT= 1.000000D+00 (SS bridges & dist. cnstr.) +ECORR4= -6.695107E+01 WEIGHT= 4.288700D-01 (multi-body) +ECORR5= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body) +ECORR6= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body) +EELLO= -2.140425E+00 WEIGHT= 1.603600D-01 (electrostatic-local) +ETURN3= 1.548896E+01 WEIGHT= 1.687220D+00 (turns, 3rd order) +ETURN4= 3.138638E+00 WEIGHT= 6.623000D-01 (turns, 4th order) +ETURN6= 0.000000E+00 WEIGHT= 0.000000D+00 (turns, 6th order) +ESCCOR= 0.000000E+00 WEIGHT= 0.000000D+00 (backbone-rotamer corr) +EDIHC= 0.000000E+00 (dihedral angle constraints) +ESS= 0.000000E+00 (disulfide-bridge intrinsic energy) +UCONST= 0.000000E+00 (Constraint energy) +EDFAD= 5.491269-315 (DFA distance energy) +EDFAT= 6.953158-310 (DFA torsion energy) +EDFAN= 6.953158-310 (DFA NCa energy) +EDFAB= 2.650815-317 (DFA Beta energy) +ETOT= -8.592375E+01 (total) +RMS deviation from the reference structure: 3.788 + % of native contacts: 41.667 + % of nonnative contacts: 78.261 + contact order: 0.312 + TM-score with the reference structure: 0.25 + Conformation # 87 read + + + Conformation # 86 sumsl return code 4 + +Virtual-chain energies: + +EVDW= -5.151675E+01 WEIGHT= 1.352790D+00 (SC-SC) +EVDW2= 5.153825E+01 WEIGHT= 1.593040D+00 (SC-p) +EES= -1.001696E+02 WEIGHT= 7.153400D-01 (p-p) +EVDWPP= -2.837889E+01 WEIGHT= 1.137100D-01 (p-p VDW) +ESTR= 0.000000E+00 WEIGHT= 1.000000D+00 (stretching) +EBE= -3.828980E+01 WEIGHT= 1.138730D+00 (bending) +ESC= 3.395919E+01 WEIGHT= 1.625800D-01 (SC local) +ETORS= 8.660517E+00 WEIGHT= 1.985990D+00 (torsional) +ETORSD= 1.218463E+00 WEIGHT= 1.570690D+00 (double torsional) +EHBP= 0.000000E+00 WEIGHT= 1.000000D+00 (SS bridges & dist. cnstr.) +ECORR4= -7.406717E+01 WEIGHT= 4.288700D-01 (multi-body) +ECORR5= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body) +ECORR6= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body) +EELLO= -5.610724E+00 WEIGHT= 1.603600D-01 (electrostatic-local) +ETURN3= 1.647882E+01 WEIGHT= 1.687220D+00 (turns, 3rd order) +ETURN4= -4.451240E+00 WEIGHT= 6.623000D-01 (turns, 4th order) +ETURN6= 0.000000E+00 WEIGHT= 0.000000D+00 (turns, 6th order) +ESCCOR= 0.000000E+00 WEIGHT= 0.000000D+00 (backbone-rotamer corr) +EDIHC= 0.000000E+00 (dihedral angle constraints) +ESS= 0.000000E+00 (disulfide-bridge intrinsic energy) +UCONST= 0.000000E+00 (Constraint energy) +EDFAD= 5.491269-315 (DFA distance energy) +EDFAT= 6.953158-310 (DFA torsion energy) +EDFAN= 6.953158-310 (DFA NCa energy) +EDFAB= 2.650815-317 (DFA Beta energy) +ETOT= -8.924784E+01 (total) +RMS deviation from the reference structure: 3.027 + % of native contacts: 41.667 + % of nonnative contacts: 76.190 + contact order: 0.323 + TM-score with the reference structure: 0.32 + Conformation # 88 read + + + Conformation # 84 sumsl return code 4 + +Virtual-chain energies: + +EVDW= -5.383932E+01 WEIGHT= 1.352790D+00 (SC-SC) +EVDW2= 5.041252E+01 WEIGHT= 1.593040D+00 (SC-p) +EES= -1.015163E+02 WEIGHT= 7.153400D-01 (p-p) +EVDWPP= -2.501080E+01 WEIGHT= 1.137100D-01 (p-p VDW) +ESTR= 0.000000E+00 WEIGHT= 1.000000D+00 (stretching) +EBE= -3.771459E+01 WEIGHT= 1.138730D+00 (bending) +ESC= 5.189949E+01 WEIGHT= 1.625800D-01 (SC local) +ETORS= 8.859283E+00 WEIGHT= 1.985990D+00 (torsional) +ETORSD= -4.275785E-01 WEIGHT= 1.570690D+00 (double torsional) +EHBP= 0.000000E+00 WEIGHT= 1.000000D+00 (SS bridges & dist. cnstr.) +ECORR4= -7.620882E+01 WEIGHT= 4.288700D-01 (multi-body) +ECORR5= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body) +ECORR6= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body) +EELLO= -4.821388E+00 WEIGHT= 1.603600D-01 (electrostatic-local) +ETURN3= 1.794374E+01 WEIGHT= 1.687220D+00 (turns, 3rd order) +ETURN4= -3.240153E+00 WEIGHT= 6.623000D-01 (turns, 4th order) +ETURN6= 0.000000E+00 WEIGHT= 0.000000D+00 (turns, 6th order) +ESCCOR= 0.000000E+00 WEIGHT= 0.000000D+00 (backbone-rotamer corr) +EDIHC= 0.000000E+00 (dihedral angle constraints) +ESS= 0.000000E+00 (disulfide-bridge intrinsic energy) +UCONST= 0.000000E+00 (Constraint energy) +EDFAD= 5.491269-315 (DFA distance energy) +EDFAT= 6.953158-310 (DFA torsion energy) +EDFAN= 6.953158-310 (DFA NCa energy) +EDFAB= 2.650815-317 (DFA Beta energy) +ETOT= -9.090063E+01 (total) +RMS deviation from the reference structure: 2.049 + % of native contacts: 75.000 + % of nonnative contacts: 57.143 + contact order: 0.314 + TM-score with the reference structure: 0.31 + Conformation # 89 read + + + Conformation # 88 sumsl return code 4 + +Virtual-chain energies: + +EVDW= -5.659903E+01 WEIGHT= 1.352790D+00 (SC-SC) +EVDW2= 5.510575E+01 WEIGHT= 1.593040D+00 (SC-p) +EES= -1.109343E+02 WEIGHT= 7.153400D-01 (p-p) +EVDWPP= -2.466897E+01 WEIGHT= 1.137100D-01 (p-p VDW) +ESTR= 0.000000E+00 WEIGHT= 1.000000D+00 (stretching) +EBE= -3.977390E+01 WEIGHT= 1.138730D+00 (bending) +ESC= 4.986767E+01 WEIGHT= 1.625800D-01 (SC local) +ETORS= 1.305861E+01 WEIGHT= 1.985990D+00 (torsional) +ETORSD= -1.570175E+00 WEIGHT= 1.570690D+00 (double torsional) +EHBP= 0.000000E+00 WEIGHT= 1.000000D+00 (SS bridges & dist. cnstr.) +ECORR4= -8.425735E+01 WEIGHT= 4.288700D-01 (multi-body) +ECORR5= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body) +ECORR6= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body) +EELLO= -2.296543E+00 WEIGHT= 1.603600D-01 (electrostatic-local) +ETURN3= 1.984228E+01 WEIGHT= 1.687220D+00 (turns, 3rd order) +ETURN4= -5.540303E-01 WEIGHT= 6.623000D-01 (turns, 4th order) +ETURN6= 0.000000E+00 WEIGHT= 0.000000D+00 (turns, 6th order) +ESCCOR= 0.000000E+00 WEIGHT= 0.000000D+00 (backbone-rotamer corr) +EDIHC= 0.000000E+00 (dihedral angle constraints) +ESS= 0.000000E+00 (disulfide-bridge intrinsic energy) +UCONST= 0.000000E+00 (Constraint energy) +EDFAD= 5.491269-315 (DFA distance energy) +EDFAT= 6.953158-310 (DFA torsion energy) +EDFAN= 6.953158-310 (DFA NCa energy) +EDFAB= 2.650815-317 (DFA Beta energy) +ETOT= -8.805042E+01 (total) +RMS deviation from the reference structure: 2.700 + % of native contacts: 50.000 + % of nonnative contacts: 70.000 + contact order: 0.332 + TM-score with the reference structure: 0.30 + Conformation # 90 read + + + Conformation # 87 sumsl return code 4 + +Virtual-chain energies: + +EVDW= -5.210634E+01 WEIGHT= 1.352790D+00 (SC-SC) +EVDW2= 4.846949E+01 WEIGHT= 1.593040D+00 (SC-p) +EES= -9.843086E+01 WEIGHT= 7.153400D-01 (p-p) +EVDWPP= -2.025934E+01 WEIGHT= 1.137100D-01 (p-p VDW) +ESTR= 0.000000E+00 WEIGHT= 1.000000D+00 (stretching) +EBE= -3.642635E+01 WEIGHT= 1.138730D+00 (bending) +ESC= 5.606879E+01 WEIGHT= 1.625800D-01 (SC local) +ETORS= 1.144374E+01 WEIGHT= 1.985990D+00 (torsional) +ETORSD= -1.792157E+00 WEIGHT= 1.570690D+00 (double torsional) +EHBP= 0.000000E+00 WEIGHT= 1.000000D+00 (SS bridges & dist. cnstr.) +ECORR4= -7.031317E+01 WEIGHT= 4.288700D-01 (multi-body) +ECORR5= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body) +ECORR6= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body) +EELLO= -2.755653E+00 WEIGHT= 1.603600D-01 (electrostatic-local) +ETURN3= 1.642101E+01 WEIGHT= 1.687220D+00 (turns, 3rd order) +ETURN4= -3.240078E+00 WEIGHT= 6.623000D-01 (turns, 4th order) +ETURN6= 0.000000E+00 WEIGHT= 0.000000D+00 (turns, 6th order) +ESCCOR= 0.000000E+00 WEIGHT= 0.000000D+00 (backbone-rotamer corr) +EDIHC= 0.000000E+00 (dihedral angle constraints) +ESS= 0.000000E+00 (disulfide-bridge intrinsic energy) +UCONST= 0.000000E+00 (Constraint energy) +EDFAD= 5.491269-315 (DFA distance energy) +EDFAT= 6.953158-310 (DFA torsion energy) +EDFAN= 6.953158-310 (DFA NCa energy) +EDFAB= 2.650815-317 (DFA Beta energy) +ETOT= -8.347934E+01 (total) +RMS deviation from the reference structure: 3.861 + % of native contacts: 33.333 + % of nonnative contacts: 78.947 + contact order: 0.285 + TM-score with the reference structure: 0.27 + Conformation # 91 read + + + Conformation # 90 sumsl return code 4 + +Virtual-chain energies: + +EVDW= -5.071208E+01 WEIGHT= 1.352790D+00 (SC-SC) +EVDW2= 4.534097E+01 WEIGHT= 1.593040D+00 (SC-p) +EES= -8.866029E+01 WEIGHT= 7.153400D-01 (p-p) +EVDWPP= -1.940096E+01 WEIGHT= 1.137100D-01 (p-p VDW) +ESTR= 0.000000E+00 WEIGHT= 1.000000D+00 (stretching) +EBE= -3.866068E+01 WEIGHT= 1.138730D+00 (bending) +ESC= 4.522199E+01 WEIGHT= 1.625800D-01 (SC local) +ETORS= 7.788583E+00 WEIGHT= 1.985990D+00 (torsional) +ETORSD= -2.193343E+00 WEIGHT= 1.570690D+00 (double torsional) +EHBP= 0.000000E+00 WEIGHT= 1.000000D+00 (SS bridges & dist. cnstr.) +ECORR4= -6.683117E+01 WEIGHT= 4.288700D-01 (multi-body) +ECORR5= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body) +ECORR6= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body) +EELLO= -4.065909E+00 WEIGHT= 1.603600D-01 (electrostatic-local) +ETURN3= 1.787543E+01 WEIGHT= 1.687220D+00 (turns, 3rd order) +ETURN4= -1.817383E+00 WEIGHT= 6.623000D-01 (turns, 4th order) +ETURN6= 0.000000E+00 WEIGHT= 0.000000D+00 (turns, 6th order) +ESCCOR= 0.000000E+00 WEIGHT= 0.000000D+00 (backbone-rotamer corr) +EDIHC= 0.000000E+00 (dihedral angle constraints) +ESS= 0.000000E+00 (disulfide-bridge intrinsic energy) +UCONST= 0.000000E+00 (Constraint energy) +EDFAD= 5.491269-315 (DFA distance energy) +EDFAT= 6.953158-310 (DFA torsion energy) +EDFAN= 6.953158-310 (DFA NCa energy) +EDFAB= 2.650815-317 (DFA Beta energy) +ETOT= -8.700782E+01 (total) +RMS deviation from the reference structure: 6.747 + % of native contacts: 25.000 + % of nonnative contacts: 81.250 + contact order: 0.250 + TM-score with the reference structure: 0.29 + Conformation # 92 read + + + Conformation # 91 sumsl return code 4 + +Virtual-chain energies: + +EVDW= -5.146604E+01 WEIGHT= 1.352790D+00 (SC-SC) +EVDW2= 5.202908E+01 WEIGHT= 1.593040D+00 (SC-p) +EES= -9.715811E+01 WEIGHT= 7.153400D-01 (p-p) +EVDWPP= -3.629966E+01 WEIGHT= 1.137100D-01 (p-p VDW) +ESTR= 0.000000E+00 WEIGHT= 1.000000D+00 (stretching) +EBE= -3.906362E+01 WEIGHT= 1.138730D+00 (bending) +ESC= 3.600431E+01 WEIGHT= 1.625800D-01 (SC local) +ETORS= 1.031970E+01 WEIGHT= 1.985990D+00 (torsional) +ETORSD= -2.479356E+00 WEIGHT= 1.570690D+00 (double torsional) +EHBP= 0.000000E+00 WEIGHT= 1.000000D+00 (SS bridges & dist. cnstr.) +ECORR4= -7.306525E+01 WEIGHT= 4.288700D-01 (multi-body) +ECORR5= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body) +ECORR6= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body) +EELLO= -2.842392E+00 WEIGHT= 1.603600D-01 (electrostatic-local) +ETURN3= 1.622524E+01 WEIGHT= 1.687220D+00 (turns, 3rd order) +ETURN4= 1.432079E+00 WEIGHT= 6.623000D-01 (turns, 4th order) +ETURN6= 0.000000E+00 WEIGHT= 0.000000D+00 (turns, 6th order) +ESCCOR= 0.000000E+00 WEIGHT= 0.000000D+00 (backbone-rotamer corr) +EDIHC= 0.000000E+00 (dihedral angle constraints) +ESS= 0.000000E+00 (disulfide-bridge intrinsic energy) +UCONST= 0.000000E+00 (Constraint energy) +EDFAD= 5.491269-315 (DFA distance energy) +EDFAT= 6.953158-310 (DFA torsion energy) +EDFAN= 6.953158-310 (DFA NCa energy) +EDFAB= 2.650815-317 (DFA Beta energy) +ETOT= -8.586317E+01 (total) +RMS deviation from the reference structure: 3.982 + % of native contacts: 16.667 + % of nonnative contacts: 88.889 + contact order: 0.270 + TM-score with the reference structure: 0.28 + Conformation # 93 read + + + Conformation # 81 sumsl return code 4 + +Virtual-chain energies: + +EVDW= -5.208552E+01 WEIGHT= 1.352790D+00 (SC-SC) +EVDW2= 5.149303E+01 WEIGHT= 1.593040D+00 (SC-p) +EES= -1.046039E+02 WEIGHT= 7.153400D-01 (p-p) +EVDWPP= -2.534714E+01 WEIGHT= 1.137100D-01 (p-p VDW) +ESTR= 0.000000E+00 WEIGHT= 1.000000D+00 (stretching) +EBE= -3.622360E+01 WEIGHT= 1.138730D+00 (bending) +ESC= 4.707095E+01 WEIGHT= 1.625800D-01 (SC local) +ETORS= 9.153770E+00 WEIGHT= 1.985990D+00 (torsional) +ETORSD= -4.547313E-01 WEIGHT= 1.570690D+00 (double torsional) +EHBP= 0.000000E+00 WEIGHT= 1.000000D+00 (SS bridges & dist. cnstr.) +ECORR4= -7.751411E+01 WEIGHT= 4.288700D-01 (multi-body) +ECORR5= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body) +ECORR6= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body) +EELLO= -6.090236E+00 WEIGHT= 1.603600D-01 (electrostatic-local) +ETURN3= 1.859781E+01 WEIGHT= 1.687220D+00 (turns, 3rd order) +ETURN4= -3.169534E+00 WEIGHT= 6.623000D-01 (turns, 4th order) +ETURN6= 0.000000E+00 WEIGHT= 0.000000D+00 (turns, 6th order) +ESCCOR= 0.000000E+00 WEIGHT= 0.000000D+00 (backbone-rotamer corr) +EDIHC= 0.000000E+00 (dihedral angle constraints) +ESS= 0.000000E+00 (disulfide-bridge intrinsic energy) +UCONST= 0.000000E+00 (Constraint energy) +EDFAD= 5.491269-315 (DFA distance energy) +EDFAT= 6.953158-310 (DFA torsion energy) +EDFAN= 6.953158-310 (DFA NCa energy) +EDFAB= 2.650815-317 (DFA Beta energy) +ETOT= -8.721159E+01 (total) +RMS deviation from the reference structure: 2.044 + % of native contacts: 66.667 + % of nonnative contacts: 57.895 + contact order: 0.289 + TM-score with the reference structure: 0.31 + Conformation # 94 read + + + Conformation # 92 sumsl return code 4 + +Virtual-chain energies: + +EVDW= -5.303220E+01 WEIGHT= 1.352790D+00 (SC-SC) +EVDW2= 4.180239E+01 WEIGHT= 1.593040D+00 (SC-p) +EES= -7.717061E+01 WEIGHT= 7.153400D-01 (p-p) +EVDWPP= -2.519101E+01 WEIGHT= 1.137100D-01 (p-p VDW) +ESTR= 0.000000E+00 WEIGHT= 1.000000D+00 (stretching) +EBE= -3.811720E+01 WEIGHT= 1.138730D+00 (bending) +ESC= 4.025393E+01 WEIGHT= 1.625800D-01 (SC local) +ETORS= 8.394769E+00 WEIGHT= 1.985990D+00 (torsional) +ETORSD= -1.470874E+00 WEIGHT= 1.570690D+00 (double torsional) +EHBP= 0.000000E+00 WEIGHT= 1.000000D+00 (SS bridges & dist. cnstr.) +ECORR4= -5.621015E+01 WEIGHT= 4.288700D-01 (multi-body) +ECORR5= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body) +ECORR6= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body) +EELLO= 2.533027E+00 WEIGHT= 1.603600D-01 (electrostatic-local) +ETURN3= 1.420583E+01 WEIGHT= 1.687220D+00 (turns, 3rd order) +ETURN4= -3.014127E+00 WEIGHT= 6.623000D-01 (turns, 4th order) +ETURN6= 0.000000E+00 WEIGHT= 0.000000D+00 (turns, 6th order) +ESCCOR= 0.000000E+00 WEIGHT= 0.000000D+00 (backbone-rotamer corr) +EDIHC= 0.000000E+00 (dihedral angle constraints) +ESS= 0.000000E+00 (disulfide-bridge intrinsic energy) +UCONST= 0.000000E+00 (Constraint energy) +EDFAD= 5.491269-315 (DFA distance energy) +EDFAT= 6.953158-310 (DFA torsion energy) +EDFAN= 6.953158-310 (DFA NCa energy) +EDFAB= 2.650815-317 (DFA Beta energy) +ETOT= -8.744387E+01 (total) +RMS deviation from the reference structure: 4.453 + % of native contacts: 16.667 + % of nonnative contacts: 90.476 + contact order: 0.422 + TM-score with the reference structure: 0.30 + Conformation # 95 read + + + Conformation # 93 sumsl return code 4 + +Virtual-chain energies: + +EVDW= -5.226614E+01 WEIGHT= 1.352790D+00 (SC-SC) +EVDW2= 4.745809E+01 WEIGHT= 1.593040D+00 (SC-p) +EES= -9.028931E+01 WEIGHT= 7.153400D-01 (p-p) +EVDWPP= -2.597513E+01 WEIGHT= 1.137100D-01 (p-p VDW) +ESTR= 0.000000E+00 WEIGHT= 1.000000D+00 (stretching) +EBE= -3.931165E+01 WEIGHT= 1.138730D+00 (bending) +ESC= 4.317458E+01 WEIGHT= 1.625800D-01 (SC local) +ETORS= 8.154076E+00 WEIGHT= 1.985990D+00 (torsional) +ETORSD= -1.785145E+00 WEIGHT= 1.570690D+00 (double torsional) +EHBP= 0.000000E+00 WEIGHT= 1.000000D+00 (SS bridges & dist. cnstr.) +ECORR4= -6.515554E+01 WEIGHT= 4.288700D-01 (multi-body) +ECORR5= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body) +ECORR6= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body) +EELLO= -7.990279E-02 WEIGHT= 1.603600D-01 (electrostatic-local) +ETURN3= 1.776963E+01 WEIGHT= 1.687220D+00 (turns, 3rd order) +ETURN4= 1.350796E+00 WEIGHT= 6.623000D-01 (turns, 4th order) +ETURN6= 0.000000E+00 WEIGHT= 0.000000D+00 (turns, 6th order) +ESCCOR= 0.000000E+00 WEIGHT= 0.000000D+00 (backbone-rotamer corr) +EDIHC= 0.000000E+00 (dihedral angle constraints) +ESS= 0.000000E+00 (disulfide-bridge intrinsic energy) +UCONST= 0.000000E+00 (Constraint energy) +EDFAD= 5.491269-315 (DFA distance energy) +EDFAT= 6.953158-310 (DFA torsion energy) +EDFAN= 6.953158-310 (DFA NCa energy) +EDFAB= 2.650815-317 (DFA Beta energy) +ETOT= -8.407985E+01 (total) +RMS deviation from the reference structure: 4.627 + % of native contacts: 41.667 + % of nonnative contacts: 75.000 + contact order: 0.366 + TM-score with the reference structure: 0.30 + Conformation # 96 read + + + Conformation # 89 sumsl return code 4 + +Virtual-chain energies: + +EVDW= -5.216780E+01 WEIGHT= 1.352790D+00 (SC-SC) +EVDW2= 4.605876E+01 WEIGHT= 1.593040D+00 (SC-p) +EES= -9.915539E+01 WEIGHT= 7.153400D-01 (p-p) +EVDWPP= -1.864593E+01 WEIGHT= 1.137100D-01 (p-p VDW) +ESTR= 0.000000E+00 WEIGHT= 1.000000D+00 (stretching) +EBE= -3.764524E+01 WEIGHT= 1.138730D+00 (bending) +ESC= 3.728191E+01 WEIGHT= 1.625800D-01 (SC local) +ETORS= 9.457121E+00 WEIGHT= 1.985990D+00 (torsional) +ETORSD= -5.867677E-01 WEIGHT= 1.570690D+00 (double torsional) +EHBP= 0.000000E+00 WEIGHT= 1.000000D+00 (SS bridges & dist. cnstr.) +ECORR4= -7.196797E+01 WEIGHT= 4.288700D-01 (multi-body) +ECORR5= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body) +ECORR6= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body) +EELLO= -3.961794E+00 WEIGHT= 1.603600D-01 (electrostatic-local) +ETURN3= 2.051707E+01 WEIGHT= 1.687220D+00 (turns, 3rd order) +ETURN4= -2.748902E+00 WEIGHT= 6.623000D-01 (turns, 4th order) +ETURN6= 0.000000E+00 WEIGHT= 0.000000D+00 (turns, 6th order) +ESCCOR= 0.000000E+00 WEIGHT= 0.000000D+00 (backbone-rotamer corr) +EDIHC= 0.000000E+00 (dihedral angle constraints) +ESS= 0.000000E+00 (disulfide-bridge intrinsic energy) +UCONST= 0.000000E+00 (Constraint energy) +EDFAD= 5.491269-315 (DFA distance energy) +EDFAT= 6.953158-310 (DFA torsion energy) +EDFAN= 6.953158-310 (DFA NCa energy) +EDFAB= 2.650815-317 (DFA Beta energy) +ETOT= -8.789903E+01 (total) +RMS deviation from the reference structure: 3.018 + % of native contacts: 33.333 + % of nonnative contacts: 80.000 + contact order: 0.311 + TM-score with the reference structure: 0.31 + Conformation # 97 read + + + Conformation # 95 sumsl return code 4 + +Virtual-chain energies: + +EVDW= -5.158360E+01 WEIGHT= 1.352790D+00 (SC-SC) +EVDW2= 3.240418E+01 WEIGHT= 1.593040D+00 (SC-p) +EES= -5.123465E+01 WEIGHT= 7.153400D-01 (p-p) +EVDWPP= -3.257724E+01 WEIGHT= 1.137100D-01 (p-p VDW) +ESTR= 0.000000E+00 WEIGHT= 1.000000D+00 (stretching) +EBE= -3.959967E+01 WEIGHT= 1.138730D+00 (bending) +ESC= 3.889849E+01 WEIGHT= 1.625800D-01 (SC local) +ETORS= 5.591502E+00 WEIGHT= 1.985990D+00 (torsional) +ETORSD= 2.569923E-01 WEIGHT= 1.570690D+00 (double torsional) +EHBP= 0.000000E+00 WEIGHT= 1.000000D+00 (SS bridges & dist. cnstr.) +ECORR4= -3.446819E+01 WEIGHT= 4.288700D-01 (multi-body) +ECORR5= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body) +ECORR6= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body) +EELLO= 1.747673E-01 WEIGHT= 1.603600D-01 (electrostatic-local) +ETURN3= 1.036650E+01 WEIGHT= 1.687220D+00 (turns, 3rd order) +ETURN4= -3.305998E+00 WEIGHT= 6.623000D-01 (turns, 4th order) +ETURN6= 0.000000E+00 WEIGHT= 0.000000D+00 (turns, 6th order) +ESCCOR= 0.000000E+00 WEIGHT= 0.000000D+00 (backbone-rotamer corr) +EDIHC= 0.000000E+00 (dihedral angle constraints) +ESS= 0.000000E+00 (disulfide-bridge intrinsic energy) +UCONST= 0.000000E+00 (Constraint energy) +EDFAD= 5.491269-315 (DFA distance energy) +EDFAT= 6.953158-310 (DFA torsion energy) +EDFAN= 6.953158-310 (DFA NCa energy) +EDFAB= 2.650815-317 (DFA Beta energy) +ETOT= -8.522942E+01 (total) +RMS deviation from the reference structure: 6.253 + % of native contacts: 16.667 + % of nonnative contacts: 87.500 + contact order: 0.327 + TM-score with the reference structure: 0.23 + Conformation # 98 read + + + Conformation # 97 sumsl return code 4 + +Virtual-chain energies: + +EVDW= -5.545589E+01 WEIGHT= 1.352790D+00 (SC-SC) +EVDW2= 5.332955E+01 WEIGHT= 1.593040D+00 (SC-p) +EES= -9.803422E+01 WEIGHT= 7.153400D-01 (p-p) +EVDWPP= -3.502614E+01 WEIGHT= 1.137100D-01 (p-p VDW) +ESTR= 0.000000E+00 WEIGHT= 1.000000D+00 (stretching) +EBE= -3.879955E+01 WEIGHT= 1.138730D+00 (bending) +ESC= 5.383544E+01 WEIGHT= 1.625800D-01 (SC local) +ETORS= 1.130221E+01 WEIGHT= 1.985990D+00 (torsional) +ETORSD= -3.385504E+00 WEIGHT= 1.570690D+00 (double torsional) +EHBP= 0.000000E+00 WEIGHT= 1.000000D+00 (SS bridges & dist. cnstr.) +ECORR4= -7.478508E+01 WEIGHT= 4.288700D-01 (multi-body) +ECORR5= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body) +ECORR6= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body) +EELLO= -6.288442E+00 WEIGHT= 1.603600D-01 (electrostatic-local) +ETURN3= 1.634837E+01 WEIGHT= 1.687220D+00 (turns, 3rd order) +ETURN4= 1.152505E+00 WEIGHT= 6.623000D-01 (turns, 4th order) +ETURN6= 0.000000E+00 WEIGHT= 0.000000D+00 (turns, 6th order) +ESCCOR= 0.000000E+00 WEIGHT= 0.000000D+00 (backbone-rotamer corr) +EDIHC= 0.000000E+00 (dihedral angle constraints) +ESS= 0.000000E+00 (disulfide-bridge intrinsic energy) +UCONST= 0.000000E+00 (Constraint energy) +EDFAD= 5.491269-315 (DFA distance energy) +EDFAT= 6.953158-310 (DFA torsion energy) +EDFAN= 6.953158-310 (DFA NCa energy) +EDFAB= 2.650815-317 (DFA Beta energy) +ETOT= -8.721072E+01 (total) +RMS deviation from the reference structure: 2.819 + % of native contacts: 58.333 + % of nonnative contacts: 72.000 + contact order: 0.373 + TM-score with the reference structure: 0.29 + Conformation # 99 read + + + Conformation # 96 sumsl return code 4 + +Virtual-chain energies: + +EVDW= -5.326091E+01 WEIGHT= 1.352790D+00 (SC-SC) +EVDW2= 4.708400E+01 WEIGHT= 1.593040D+00 (SC-p) +EES= -8.976567E+01 WEIGHT= 7.153400D-01 (p-p) +EVDWPP= -2.956288E+01 WEIGHT= 1.137100D-01 (p-p VDW) +ESTR= 0.000000E+00 WEIGHT= 1.000000D+00 (stretching) +EBE= -3.744768E+01 WEIGHT= 1.138730D+00 (bending) +ESC= 4.796956E+01 WEIGHT= 1.625800D-01 (SC local) +ETORS= 7.044781E+00 WEIGHT= 1.985990D+00 (torsional) +ETORSD= 3.133864E-01 WEIGHT= 1.570690D+00 (double torsional) +EHBP= 0.000000E+00 WEIGHT= 1.000000D+00 (SS bridges & dist. cnstr.) +ECORR4= -6.799923E+01 WEIGHT= 4.288700D-01 (multi-body) +ECORR5= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body) +ECORR6= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body) +EELLO= -4.442120E+00 WEIGHT= 1.603600D-01 (electrostatic-local) +ETURN3= 1.585610E+01 WEIGHT= 1.687220D+00 (turns, 3rd order) +ETURN4= -1.833803E+00 WEIGHT= 6.623000D-01 (turns, 4th order) +ETURN6= 0.000000E+00 WEIGHT= 0.000000D+00 (turns, 6th order) +ESCCOR= 0.000000E+00 WEIGHT= 0.000000D+00 (backbone-rotamer corr) +EDIHC= 0.000000E+00 (dihedral angle constraints) +ESS= 0.000000E+00 (disulfide-bridge intrinsic energy) +UCONST= 0.000000E+00 (Constraint energy) +EDFAD= 5.491269-315 (DFA distance energy) +EDFAT= 6.953158-310 (DFA torsion energy) +EDFAN= 6.953158-310 (DFA NCa energy) +EDFAB= 2.650815-317 (DFA Beta energy) +ETOT= -8.931648E+01 (total) +RMS deviation from the reference structure: 3.239 + % of native contacts: 66.667 + % of nonnative contacts: 61.905 + contact order: 0.264 + TM-score with the reference structure: 0.31 + Conformation # 100 read + + + Conformation # 94 sumsl return code 4 + +Virtual-chain energies: + +EVDW= -5.305504E+01 WEIGHT= 1.352790D+00 (SC-SC) +EVDW2= 4.040257E+01 WEIGHT= 1.593040D+00 (SC-p) +EES= -7.338760E+01 WEIGHT= 7.153400D-01 (p-p) +EVDWPP= -2.906528E+01 WEIGHT= 1.137100D-01 (p-p VDW) +ESTR= 0.000000E+00 WEIGHT= 1.000000D+00 (stretching) +EBE= -3.507829E+01 WEIGHT= 1.138730D+00 (bending) +ESC= 3.942963E+01 WEIGHT= 1.625800D-01 (SC local) +ETORS= 5.760565E+00 WEIGHT= 1.985990D+00 (torsional) +ETORSD= -7.554845E-01 WEIGHT= 1.570690D+00 (double torsional) +EHBP= 0.000000E+00 WEIGHT= 1.000000D+00 (SS bridges & dist. cnstr.) +ECORR4= -5.481652E+01 WEIGHT= 4.288700D-01 (multi-body) +ECORR5= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body) +ECORR6= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body) +EELLO= -1.535032E+00 WEIGHT= 1.603600D-01 (electrostatic-local) +ETURN3= 1.537199E+01 WEIGHT= 1.687220D+00 (turns, 3rd order) +ETURN4= -6.138054E-01 WEIGHT= 6.623000D-01 (turns, 4th order) +ETURN6= 0.000000E+00 WEIGHT= 0.000000D+00 (turns, 6th order) +ESCCOR= 0.000000E+00 WEIGHT= 0.000000D+00 (backbone-rotamer corr) +EDIHC= 0.000000E+00 (dihedral angle constraints) +ESS= 0.000000E+00 (disulfide-bridge intrinsic energy) +UCONST= 0.000000E+00 (Constraint energy) +EDFAD= 5.491269-315 (DFA distance energy) +EDFAT= 6.953158-310 (DFA torsion energy) +EDFAN= 6.953158-310 (DFA NCa energy) +EDFAB= 2.650815-317 (DFA Beta energy) +ETOT= -8.471788E+01 (total) +RMS deviation from the reference structure: 6.453 + % of native contacts: 33.333 + % of nonnative contacts: 80.000 + contact order: 0.259 + TM-score with the reference structure: 0.26 + Conformation # 101 read + + + Conformation # 100 sumsl return code 4 + +Virtual-chain energies: + +EVDW= -5.724607E+01 WEIGHT= 1.352790D+00 (SC-SC) +EVDW2= 5.144378E+01 WEIGHT= 1.593040D+00 (SC-p) +EES= -9.716260E+01 WEIGHT= 7.153400D-01 (p-p) +EVDWPP= -2.743794E+01 WEIGHT= 1.137100D-01 (p-p VDW) +ESTR= 0.000000E+00 WEIGHT= 1.000000D+00 (stretching) +EBE= -3.757445E+01 WEIGHT= 1.138730D+00 (bending) +ESC= 4.796478E+01 WEIGHT= 1.625800D-01 (SC local) +ETORS= 1.260098E+01 WEIGHT= 1.985990D+00 (torsional) +ETORSD= -2.875661E+00 WEIGHT= 1.570690D+00 (double torsional) +EHBP= 0.000000E+00 WEIGHT= 1.000000D+00 (SS bridges & dist. cnstr.) +ECORR4= -7.403382E+01 WEIGHT= 4.288700D-01 (multi-body) +ECORR5= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body) +ECORR6= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body) +EELLO= -7.543812E+00 WEIGHT= 1.603600D-01 (electrostatic-local) +ETURN3= 1.718962E+01 WEIGHT= 1.687220D+00 (turns, 3rd order) +ETURN4= -2.812276E+00 WEIGHT= 6.623000D-01 (turns, 4th order) +ETURN6= 0.000000E+00 WEIGHT= 0.000000D+00 (turns, 6th order) +ESCCOR= 0.000000E+00 WEIGHT= 0.000000D+00 (backbone-rotamer corr) +EDIHC= 0.000000E+00 (dihedral angle constraints) +ESS= 0.000000E+00 (disulfide-bridge intrinsic energy) +UCONST= 0.000000E+00 (Constraint energy) +EDFAD= 5.491269-315 (DFA distance energy) +EDFAT= 6.953158-310 (DFA torsion energy) +EDFAN= 6.953158-310 (DFA NCa energy) +EDFAB= 2.650815-317 (DFA Beta energy) +ETOT= -8.841506E+01 (total) +RMS deviation from the reference structure: 3.317 + % of native contacts: 33.333 + % of nonnative contacts: 78.947 + contact order: 0.354 + TM-score with the reference structure: 0.29 + Conformation # 102 read + + + Conformation # 101 sumsl return code 4 + +Virtual-chain energies: + +EVDW= -5.535100E+01 WEIGHT= 1.352790D+00 (SC-SC) +EVDW2= 4.839144E+01 WEIGHT= 1.593040D+00 (SC-p) +EES= -9.759179E+01 WEIGHT= 7.153400D-01 (p-p) +EVDWPP= -1.979413E+01 WEIGHT= 1.137100D-01 (p-p VDW) +ESTR= 0.000000E+00 WEIGHT= 1.000000D+00 (stretching) +EBE= -3.837418E+01 WEIGHT= 1.138730D+00 (bending) +ESC= 6.252031E+01 WEIGHT= 1.625800D-01 (SC local) +ETORS= 8.699362E+00 WEIGHT= 1.985990D+00 (torsional) +ETORSD= -4.486982E-01 WEIGHT= 1.570690D+00 (double torsional) +EHBP= 0.000000E+00 WEIGHT= 1.000000D+00 (SS bridges & dist. cnstr.) +ECORR4= -7.327375E+01 WEIGHT= 4.288700D-01 (multi-body) +ECORR5= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body) +ECORR6= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body) +EELLO= -3.023829E+00 WEIGHT= 1.603600D-01 (electrostatic-local) +ETURN3= 1.939267E+01 WEIGHT= 1.687220D+00 (turns, 3rd order) +ETURN4= -3.329018E+00 WEIGHT= 6.623000D-01 (turns, 4th order) +ETURN6= 0.000000E+00 WEIGHT= 0.000000D+00 (turns, 6th order) +ESCCOR= 0.000000E+00 WEIGHT= 0.000000D+00 (backbone-rotamer corr) +EDIHC= 0.000000E+00 (dihedral angle constraints) +ESS= 0.000000E+00 (disulfide-bridge intrinsic energy) +UCONST= 0.000000E+00 (Constraint energy) +EDFAD= 5.491269-315 (DFA distance energy) +EDFAT= 6.953158-310 (DFA torsion energy) +EDFAN= 6.953158-310 (DFA NCa energy) +EDFAB= 2.650815-317 (DFA Beta energy) +ETOT= -8.820701E+01 (total) +RMS deviation from the reference structure: 6.768 + % of native contacts: 33.333 + % of nonnative contacts: 78.947 + contact order: 0.239 + TM-score with the reference structure: 0.30 + Conformation # 103 read + + + Conformation # 98 sumsl return code 4 + +Virtual-chain energies: + +EVDW= -5.023063E+01 WEIGHT= 1.352790D+00 (SC-SC) +EVDW2= 4.036288E+01 WEIGHT= 1.593040D+00 (SC-p) +EES= -7.829780E+01 WEIGHT= 7.153400D-01 (p-p) +EVDWPP= -2.090614E+01 WEIGHT= 1.137100D-01 (p-p VDW) +ESTR= 0.000000E+00 WEIGHT= 1.000000D+00 (stretching) +EBE= -3.855234E+01 WEIGHT= 1.138730D+00 (bending) +ESC= 3.318744E+01 WEIGHT= 1.625800D-01 (SC local) +ETORS= 9.763032E+00 WEIGHT= 1.985990D+00 (torsional) +ETORSD= -2.230908E+00 WEIGHT= 1.570690D+00 (double torsional) +EHBP= 0.000000E+00 WEIGHT= 1.000000D+00 (SS bridges & dist. cnstr.) +ECORR4= -5.963788E+01 WEIGHT= 4.288700D-01 (multi-body) +ECORR5= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body) +ECORR6= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body) +EELLO= 1.842996E+00 WEIGHT= 1.603600D-01 (electrostatic-local) +ETURN3= 1.489684E+01 WEIGHT= 1.687220D+00 (turns, 3rd order) +ETURN4= -2.092994E+00 WEIGHT= 6.623000D-01 (turns, 4th order) +ETURN6= 0.000000E+00 WEIGHT= 0.000000D+00 (turns, 6th order) +ESCCOR= 0.000000E+00 WEIGHT= 0.000000D+00 (backbone-rotamer corr) +EDIHC= 0.000000E+00 (dihedral angle constraints) +ESS= 0.000000E+00 (disulfide-bridge intrinsic energy) +UCONST= 0.000000E+00 (Constraint energy) +EDFAD= 5.491269-315 (DFA distance energy) +EDFAT= 6.953158-310 (DFA torsion energy) +EDFAN= 6.953158-310 (DFA NCa energy) +EDFAB= 2.650815-317 (DFA Beta energy) +ETOT= -8.619176E+01 (total) +RMS deviation from the reference structure: 4.544 + % of native contacts: 16.667 + % of nonnative contacts: 86.667 + contact order: 0.412 + TM-score with the reference structure: 0.31 + Conformation # 104 read + + + Conformation # 102 sumsl return code 4 + +Virtual-chain energies: + +EVDW= -5.143525E+01 WEIGHT= 1.352790D+00 (SC-SC) +EVDW2= 5.330895E+01 WEIGHT= 1.593040D+00 (SC-p) +EES= -1.094929E+02 WEIGHT= 7.153400D-01 (p-p) +EVDWPP= -2.933403E+01 WEIGHT= 1.137100D-01 (p-p VDW) +ESTR= 0.000000E+00 WEIGHT= 1.000000D+00 (stretching) +EBE= -3.827661E+01 WEIGHT= 1.138730D+00 (bending) +ESC= 4.515089E+01 WEIGHT= 1.625800D-01 (SC local) +ETORS= 1.127806E+01 WEIGHT= 1.985990D+00 (torsional) +ETORSD= -8.212386E-01 WEIGHT= 1.570690D+00 (double torsional) +EHBP= 0.000000E+00 WEIGHT= 1.000000D+00 (SS bridges & dist. cnstr.) +ECORR4= -8.108285E+01 WEIGHT= 4.288700D-01 (multi-body) +ECORR5= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body) +ECORR6= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body) +EELLO= -4.450661E+00 WEIGHT= 1.603600D-01 (electrostatic-local) +ETURN3= 1.904740E+01 WEIGHT= 1.687220D+00 (turns, 3rd order) +ETURN4= -2.458355E+00 WEIGHT= 6.623000D-01 (turns, 4th order) +ETURN6= 0.000000E+00 WEIGHT= 0.000000D+00 (turns, 6th order) +ESCCOR= 0.000000E+00 WEIGHT= 0.000000D+00 (backbone-rotamer corr) +EDIHC= 0.000000E+00 (dihedral angle constraints) +ESS= 0.000000E+00 (disulfide-bridge intrinsic energy) +UCONST= 0.000000E+00 (Constraint energy) +EDFAD= 5.491269-315 (DFA distance energy) +EDFAT= 6.953158-310 (DFA torsion energy) +EDFAN= 6.953158-310 (DFA NCa energy) +EDFAB= 2.650815-317 (DFA Beta energy) +ETOT= -8.643466E+01 (total) +RMS deviation from the reference structure: 2.882 + % of native contacts: 25.000 + % of nonnative contacts: 84.211 + contact order: 0.203 + TM-score with the reference structure: 0.27 + Conformation # 105 read + + + Conformation # 104 sumsl return code 4 + +Virtual-chain energies: + +EVDW= -5.656538E+01 WEIGHT= 1.352790D+00 (SC-SC) +EVDW2= 5.258591E+01 WEIGHT= 1.593040D+00 (SC-p) +EES= -1.034152E+02 WEIGHT= 7.153400D-01 (p-p) +EVDWPP= -2.375174E+01 WEIGHT= 1.137100D-01 (p-p VDW) +ESTR= 0.000000E+00 WEIGHT= 1.000000D+00 (stretching) +EBE= -3.793318E+01 WEIGHT= 1.138730D+00 (bending) +ESC= 4.643550E+01 WEIGHT= 1.625800D-01 (SC local) +ETORS= 9.281829E+00 WEIGHT= 1.985990D+00 (torsional) +ETORSD= -1.594245E-01 WEIGHT= 1.570690D+00 (double torsional) +EHBP= 0.000000E+00 WEIGHT= 1.000000D+00 (SS bridges & dist. cnstr.) +ECORR4= -7.810727E+01 WEIGHT= 4.288700D-01 (multi-body) +ECORR5= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body) +ECORR6= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body) +EELLO= -5.733387E+00 WEIGHT= 1.603600D-01 (electrostatic-local) +ETURN3= 1.809409E+01 WEIGHT= 1.687220D+00 (turns, 3rd order) +ETURN4= -2.663255E+00 WEIGHT= 6.623000D-01 (turns, 4th order) +ETURN6= 0.000000E+00 WEIGHT= 0.000000D+00 (turns, 6th order) +ESCCOR= 0.000000E+00 WEIGHT= 0.000000D+00 (backbone-rotamer corr) +EDIHC= 0.000000E+00 (dihedral angle constraints) +ESS= 0.000000E+00 (disulfide-bridge intrinsic energy) +UCONST= 0.000000E+00 (Constraint energy) +EDFAD= 5.491269-315 (DFA distance energy) +EDFAT= 6.953158-310 (DFA torsion energy) +EDFAN= 6.953158-310 (DFA NCa energy) +EDFAB= 2.650815-317 (DFA Beta energy) +ETOT= -9.254286E+01 (total) +RMS deviation from the reference structure: 2.382 + % of native contacts: 41.667 + % of nonnative contacts: 76.190 + contact order: 0.323 + TM-score with the reference structure: 0.29 + Conformation # 106 read + + + Conformation # 105 sumsl return code 4 + +Virtual-chain energies: + +EVDW= -5.289427E+01 WEIGHT= 1.352790D+00 (SC-SC) +EVDW2= 3.605960E+01 WEIGHT= 1.593040D+00 (SC-p) +EES= -6.295068E+01 WEIGHT= 7.153400D-01 (p-p) +EVDWPP= -2.980231E+01 WEIGHT= 1.137100D-01 (p-p VDW) +ESTR= 0.000000E+00 WEIGHT= 1.000000D+00 (stretching) +EBE= -3.718328E+01 WEIGHT= 1.138730D+00 (bending) +ESC= 4.526407E+01 WEIGHT= 1.625800D-01 (SC local) +ETORS= 5.806244E+00 WEIGHT= 1.985990D+00 (torsional) +ETORSD= -1.783770E+00 WEIGHT= 1.570690D+00 (double torsional) +EHBP= 0.000000E+00 WEIGHT= 1.000000D+00 (SS bridges & dist. cnstr.) +ECORR4= -4.623660E+01 WEIGHT= 4.288700D-01 (multi-body) +ECORR5= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body) +ECORR6= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body) +EELLO= -2.962557E+00 WEIGHT= 1.603600D-01 (electrostatic-local) +ETURN3= 1.398270E+01 WEIGHT= 1.687220D+00 (turns, 3rd order) +ETURN4= -1.266852E+00 WEIGHT= 6.623000D-01 (turns, 4th order) +ETURN6= 0.000000E+00 WEIGHT= 0.000000D+00 (turns, 6th order) +ESCCOR= 0.000000E+00 WEIGHT= 0.000000D+00 (backbone-rotamer corr) +EDIHC= 0.000000E+00 (dihedral angle constraints) +ESS= 0.000000E+00 (disulfide-bridge intrinsic energy) +UCONST= 0.000000E+00 (Constraint energy) +EDFAD= 5.491269-315 (DFA distance energy) +EDFAT= 6.953158-310 (DFA torsion energy) +EDFAN= 6.953158-310 (DFA NCa energy) +EDFAB= 2.650815-317 (DFA Beta energy) +ETOT= -8.633541E+01 (total) +RMS deviation from the reference structure: 4.495 + % of native contacts: 41.667 + % of nonnative contacts: 75.000 + contact order: 0.370 + TM-score with the reference structure: 0.28 + Conformation # 107 read + + + Conformation # 74 sumsl return code 4 + +Virtual-chain energies: + +EVDW= -5.160989E+01 WEIGHT= 1.352790D+00 (SC-SC) +EVDW2= 4.712138E+01 WEIGHT= 1.593040D+00 (SC-p) +EES= -9.602211E+01 WEIGHT= 7.153400D-01 (p-p) +EVDWPP= -2.953271E+01 WEIGHT= 1.137100D-01 (p-p VDW) +ESTR= 0.000000E+00 WEIGHT= 1.000000D+00 (stretching) +EBE= -3.820742E+01 WEIGHT= 1.138730D+00 (bending) +ESC= 4.485379E+01 WEIGHT= 1.625800D-01 (SC local) +ETORS= 8.983691E+00 WEIGHT= 1.985990D+00 (torsional) +ETORSD= 2.219656E+00 WEIGHT= 1.570690D+00 (double torsional) +EHBP= 0.000000E+00 WEIGHT= 1.000000D+00 (SS bridges & dist. cnstr.) +ECORR4= -7.176673E+01 WEIGHT= 4.288700D-01 (multi-body) +ECORR5= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body) +ECORR6= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body) +EELLO= -5.653175E+00 WEIGHT= 1.603600D-01 (electrostatic-local) +ETURN3= 1.842888E+01 WEIGHT= 1.687220D+00 (turns, 3rd order) +ETURN4= -5.271701E+00 WEIGHT= 6.623000D-01 (turns, 4th order) +ETURN6= 0.000000E+00 WEIGHT= 0.000000D+00 (turns, 6th order) +ESCCOR= 0.000000E+00 WEIGHT= 0.000000D+00 (backbone-rotamer corr) +EDIHC= 0.000000E+00 (dihedral angle constraints) +ESS= 0.000000E+00 (disulfide-bridge intrinsic energy) +UCONST= 0.000000E+00 (Constraint energy) +EDFAD= 5.491269-315 (DFA distance energy) +EDFAT= 6.953158-310 (DFA torsion energy) +EDFAN= 6.953158-310 (DFA NCa energy) +EDFAB= 2.650815-317 (DFA Beta energy) +ETOT= -8.576844E+01 (total) +RMS deviation from the reference structure: 2.441 + % of native contacts: 41.667 + % of nonnative contacts: 76.190 + contact order: 0.353 + TM-score with the reference structure: 0.36 + Conformation # 108 read + + + Conformation # 106 sumsl return code 4 + +Virtual-chain energies: + +EVDW= -5.302326E+01 WEIGHT= 1.352790D+00 (SC-SC) +EVDW2= 4.551519E+01 WEIGHT= 1.593040D+00 (SC-p) +EES= -9.062950E+01 WEIGHT= 7.153400D-01 (p-p) +EVDWPP= -1.814223E+01 WEIGHT= 1.137100D-01 (p-p VDW) +ESTR= 0.000000E+00 WEIGHT= 1.000000D+00 (stretching) +EBE= -3.701165E+01 WEIGHT= 1.138730D+00 (bending) +ESC= 4.226743E+01 WEIGHT= 1.625800D-01 (SC local) +ETORS= 9.326678E+00 WEIGHT= 1.985990D+00 (torsional) +ETORSD= 5.504132E-01 WEIGHT= 1.570690D+00 (double torsional) +EHBP= 0.000000E+00 WEIGHT= 1.000000D+00 (SS bridges & dist. cnstr.) +ECORR4= -6.826524E+01 WEIGHT= 4.288700D-01 (multi-body) +ECORR5= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body) +ECORR6= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body) +EELLO= -1.372321E+00 WEIGHT= 1.603600D-01 (electrostatic-local) +ETURN3= 1.749307E+01 WEIGHT= 1.687220D+00 (turns, 3rd order) +ETURN4= -2.991077E+00 WEIGHT= 6.623000D-01 (turns, 4th order) +ETURN6= 0.000000E+00 WEIGHT= 0.000000D+00 (turns, 6th order) +ESCCOR= 0.000000E+00 WEIGHT= 0.000000D+00 (backbone-rotamer corr) +EDIHC= 0.000000E+00 (dihedral angle constraints) +ESS= 0.000000E+00 (disulfide-bridge intrinsic energy) +UCONST= 0.000000E+00 (Constraint energy) +EDFAD= 5.491269-315 (DFA distance energy) +EDFAT= 6.953158-310 (DFA torsion energy) +EDFAN= 6.953158-310 (DFA NCa energy) +EDFAB= 2.650815-317 (DFA Beta energy) +ETOT= -8.396620E+01 (total) +RMS deviation from the reference structure: 5.572 + % of native contacts: 33.333 + % of nonnative contacts: 81.818 + contact order: 0.320 + TM-score with the reference structure: 0.32 + Conformation # 109 read + + + Conformation # 107 sumsl return code 4 + +Virtual-chain energies: + +EVDW= -5.264810E+01 WEIGHT= 1.352790D+00 (SC-SC) +EVDW2= 4.669071E+01 WEIGHT= 1.593040D+00 (SC-p) +EES= -9.895333E+01 WEIGHT= 7.153400D-01 (p-p) +EVDWPP= -1.958729E+01 WEIGHT= 1.137100D-01 (p-p VDW) +ESTR= 0.000000E+00 WEIGHT= 1.000000D+00 (stretching) +EBE= -3.920952E+01 WEIGHT= 1.138730D+00 (bending) +ESC= 3.800744E+01 WEIGHT= 1.625800D-01 (SC local) +ETORS= 9.542073E+00 WEIGHT= 1.985990D+00 (torsional) +ETORSD= -6.834831E-01 WEIGHT= 1.570690D+00 (double torsional) +EHBP= 0.000000E+00 WEIGHT= 1.000000D+00 (SS bridges & dist. cnstr.) +ECORR4= -7.181027E+01 WEIGHT= 4.288700D-01 (multi-body) +ECORR5= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body) +ECORR6= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body) +EELLO= -4.270745E+00 WEIGHT= 1.603600D-01 (electrostatic-local) +ETURN3= 2.046080E+01 WEIGHT= 1.687220D+00 (turns, 3rd order) +ETURN4= -2.835284E+00 WEIGHT= 6.623000D-01 (turns, 4th order) +ETURN6= 0.000000E+00 WEIGHT= 0.000000D+00 (turns, 6th order) +ESCCOR= 0.000000E+00 WEIGHT= 0.000000D+00 (backbone-rotamer corr) +EDIHC= 0.000000E+00 (dihedral angle constraints) +ESS= 0.000000E+00 (disulfide-bridge intrinsic energy) +UCONST= 0.000000E+00 (Constraint energy) +EDFAD= 5.491269-315 (DFA distance energy) +EDFAT= 6.953158-310 (DFA torsion energy) +EDFAN= 6.953158-310 (DFA NCa energy) +EDFAB= 2.650815-317 (DFA Beta energy) +ETOT= -8.928515E+01 (total) +RMS deviation from the reference structure: 3.100 + % of native contacts: 41.667 + % of nonnative contacts: 75.000 + contact order: 0.330 + TM-score with the reference structure: 0.31 + Conformation # 110 read + + + Conformation # 76 sumsl return code 4 + +Virtual-chain energies: + +EVDW= -5.100546E+01 WEIGHT= 1.352790D+00 (SC-SC) +EVDW2= 4.225860E+01 WEIGHT= 1.593040D+00 (SC-p) +EES= -8.688269E+01 WEIGHT= 7.153400D-01 (p-p) +EVDWPP= -1.518619E+01 WEIGHT= 1.137100D-01 (p-p VDW) +ESTR= 0.000000E+00 WEIGHT= 1.000000D+00 (stretching) +EBE= -3.920444E+01 WEIGHT= 1.138730D+00 (bending) +ESC= 4.608150E+01 WEIGHT= 1.625800D-01 (SC local) +ETORS= 9.241781E+00 WEIGHT= 1.985990D+00 (torsional) +ETORSD= -1.790444E+00 WEIGHT= 1.570690D+00 (double torsional) +EHBP= 0.000000E+00 WEIGHT= 1.000000D+00 (SS bridges & dist. cnstr.) +ECORR4= -6.548464E+01 WEIGHT= 4.288700D-01 (multi-body) +ECORR5= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body) +ECORR6= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body) +EELLO= -1.115284E+00 WEIGHT= 1.603600D-01 (electrostatic-local) +ETURN3= 1.801226E+01 WEIGHT= 1.687220D+00 (turns, 3rd order) +ETURN4= -3.038171E+00 WEIGHT= 6.623000D-01 (turns, 4th order) +ETURN6= 0.000000E+00 WEIGHT= 0.000000D+00 (turns, 6th order) +ESCCOR= 0.000000E+00 WEIGHT= 0.000000D+00 (backbone-rotamer corr) +EDIHC= 0.000000E+00 (dihedral angle constraints) +ESS= 0.000000E+00 (disulfide-bridge intrinsic energy) +UCONST= 0.000000E+00 (Constraint energy) +EDFAD= 5.491269-315 (DFA distance energy) +EDFAT= 6.953158-310 (DFA torsion energy) +EDFAN= 6.953158-310 (DFA NCa energy) +EDFAB= 2.650815-317 (DFA Beta energy) +ETOT= -8.705180E+01 (total) +RMS deviation from the reference structure: 5.173 + % of native contacts: 33.333 + % of nonnative contacts: 80.000 + contact order: 0.300 + TM-score with the reference structure: 0.31 + Conformation # 111 read + + + Conformation # 109 sumsl return code 4 + +Virtual-chain energies: + +EVDW= -5.511754E+01 WEIGHT= 1.352790D+00 (SC-SC) +EVDW2= 5.203137E+01 WEIGHT= 1.593040D+00 (SC-p) +EES= -1.003876E+02 WEIGHT= 7.153400D-01 (p-p) +EVDWPP= -2.872842E+01 WEIGHT= 1.137100D-01 (p-p VDW) +ESTR= 0.000000E+00 WEIGHT= 1.000000D+00 (stretching) +EBE= -3.447944E+01 WEIGHT= 1.138730D+00 (bending) +ESC= 5.851850E+01 WEIGHT= 1.625800D-01 (SC local) +ETORS= 8.954505E+00 WEIGHT= 1.985990D+00 (torsional) +ETORSD= 8.876741E-01 WEIGHT= 1.570690D+00 (double torsional) +EHBP= 0.000000E+00 WEIGHT= 1.000000D+00 (SS bridges & dist. cnstr.) +ECORR4= -7.413289E+01 WEIGHT= 4.288700D-01 (multi-body) +ECORR5= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body) +ECORR6= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body) +EELLO= -5.851723E+00 WEIGHT= 1.603600D-01 (electrostatic-local) +ETURN3= 1.654788E+01 WEIGHT= 1.687220D+00 (turns, 3rd order) +ETURN4= -4.446977E+00 WEIGHT= 6.623000D-01 (turns, 4th order) +ETURN6= 0.000000E+00 WEIGHT= 0.000000D+00 (turns, 6th order) +ESCCOR= 0.000000E+00 WEIGHT= 0.000000D+00 (backbone-rotamer corr) +EDIHC= 0.000000E+00 (dihedral angle constraints) +ESS= 0.000000E+00 (disulfide-bridge intrinsic energy) +UCONST= 0.000000E+00 (Constraint energy) +EDFAD= 5.491269-315 (DFA distance energy) +EDFAT= 6.953158-310 (DFA torsion energy) +EDFAN= 6.953158-310 (DFA NCa energy) +EDFAB= 2.650815-317 (DFA Beta energy) +ETOT= -8.508046E+01 (total) +RMS deviation from the reference structure: 2.970 + % of native contacts: 58.333 + % of nonnative contacts: 73.077 + contact order: 0.329 + TM-score with the reference structure: 0.28 + Conformation # 112 read + + + Conformation # 110 sumsl return code 4 + +Virtual-chain energies: + +EVDW= -5.235956E+01 WEIGHT= 1.352790D+00 (SC-SC) +EVDW2= 4.791795E+01 WEIGHT= 1.593040D+00 (SC-p) +EES= -8.765061E+01 WEIGHT= 7.153400D-01 (p-p) +EVDWPP= -2.432428E+01 WEIGHT= 1.137100D-01 (p-p VDW) +ESTR= 0.000000E+00 WEIGHT= 1.000000D+00 (stretching) +EBE= -3.926526E+01 WEIGHT= 1.138730D+00 (bending) +ESC= 3.043079E+01 WEIGHT= 1.625800D-01 (SC local) +ETORS= 8.901212E+00 WEIGHT= 1.985990D+00 (torsional) +ETORSD= -8.860118E-01 WEIGHT= 1.570690D+00 (double torsional) +EHBP= 0.000000E+00 WEIGHT= 1.000000D+00 (SS bridges & dist. cnstr.) +ECORR4= -6.471032E+01 WEIGHT= 4.288700D-01 (multi-body) +ECORR5= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body) +ECORR6= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body) +EELLO= 1.627734E+00 WEIGHT= 1.603600D-01 (electrostatic-local) +ETURN3= 1.606694E+01 WEIGHT= 1.687220D+00 (turns, 3rd order) +ETURN4= -1.519354E+00 WEIGHT= 6.623000D-01 (turns, 4th order) +ETURN6= 0.000000E+00 WEIGHT= 0.000000D+00 (turns, 6th order) +ESCCOR= 0.000000E+00 WEIGHT= 0.000000D+00 (backbone-rotamer corr) +EDIHC= 0.000000E+00 (dihedral angle constraints) +ESS= 0.000000E+00 (disulfide-bridge intrinsic energy) +UCONST= 0.000000E+00 (Constraint energy) +EDFAD= 5.491269-315 (DFA distance energy) +EDFAT= 6.953158-310 (DFA torsion energy) +EDFAN= 6.953158-310 (DFA NCa energy) +EDFAB= 2.650815-317 (DFA Beta energy) +ETOT= -8.483028E+01 (total) +RMS deviation from the reference structure: 4.780 + % of native contacts: 41.667 + % of nonnative contacts: 73.684 + contact order: 0.359 + TM-score with the reference structure: 0.29 + Conformation # 113 read + + + Conformation # 103 sumsl return code 4 + +Virtual-chain energies: + +EVDW= -5.590397E+01 WEIGHT= 1.352790D+00 (SC-SC) +EVDW2= 5.353249E+01 WEIGHT= 1.593040D+00 (SC-p) +EES= -1.085338E+02 WEIGHT= 7.153400D-01 (p-p) +EVDWPP= -2.416531E+01 WEIGHT= 1.137100D-01 (p-p VDW) +ESTR= 0.000000E+00 WEIGHT= 1.000000D+00 (stretching) +EBE= -3.856788E+01 WEIGHT= 1.138730D+00 (bending) +ESC= 5.894802E+01 WEIGHT= 1.625800D-01 (SC local) +ETORS= 1.206290E+01 WEIGHT= 1.985990D+00 (torsional) +ETORSD= -2.159705E+00 WEIGHT= 1.570690D+00 (double torsional) +EHBP= 0.000000E+00 WEIGHT= 1.000000D+00 (SS bridges & dist. cnstr.) +ECORR4= -8.397918E+01 WEIGHT= 4.288700D-01 (multi-body) +ECORR5= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body) +ECORR6= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body) +EELLO= -4.885036E+00 WEIGHT= 1.603600D-01 (electrostatic-local) +ETURN3= 1.912651E+01 WEIGHT= 1.687220D+00 (turns, 3rd order) +ETURN4= 3.510779E-02 WEIGHT= 6.623000D-01 (turns, 4th order) +ETURN6= 0.000000E+00 WEIGHT= 0.000000D+00 (turns, 6th order) +ESCCOR= 0.000000E+00 WEIGHT= 0.000000D+00 (backbone-rotamer corr) +EDIHC= 0.000000E+00 (dihedral angle constraints) +ESS= 0.000000E+00 (disulfide-bridge intrinsic energy) +UCONST= 0.000000E+00 (Constraint energy) +EDFAD= 5.491269-315 (DFA distance energy) +EDFAT= 6.953158-310 (DFA torsion energy) +EDFAN= 6.953158-310 (DFA NCa energy) +EDFAB= 2.650815-317 (DFA Beta energy) +ETOT= -8.900905E+01 (total) +RMS deviation from the reference structure: 2.513 + % of native contacts: 58.333 + % of nonnative contacts: 69.565 + contact order: 0.312 + TM-score with the reference structure: 0.33 + Conformation # 114 read + + + Conformation # 113 sumsl return code 4 + +Virtual-chain energies: + +EVDW= -5.466127E+01 WEIGHT= 1.352790D+00 (SC-SC) +EVDW2= 4.757760E+01 WEIGHT= 1.593040D+00 (SC-p) +EES= -9.467414E+01 WEIGHT= 7.153400D-01 (p-p) +EVDWPP= -2.411362E+01 WEIGHT= 1.137100D-01 (p-p VDW) +ESTR= 0.000000E+00 WEIGHT= 1.000000D+00 (stretching) +EBE= -4.038540E+01 WEIGHT= 1.138730D+00 (bending) +ESC= 5.535708E+01 WEIGHT= 1.625800D-01 (SC local) +ETORS= 9.824628E+00 WEIGHT= 1.985990D+00 (torsional) +ETORSD= 1.369934E+00 WEIGHT= 1.570690D+00 (double torsional) +EHBP= 0.000000E+00 WEIGHT= 1.000000D+00 (SS bridges & dist. cnstr.) +ECORR4= -6.550612E+01 WEIGHT= 4.288700D-01 (multi-body) +ECORR5= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body) +ECORR6= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body) +EELLO= 2.419460E+00 WEIGHT= 1.603600D-01 (electrostatic-local) +ETURN3= 1.783336E+01 WEIGHT= 1.687220D+00 (turns, 3rd order) +ETURN4= -5.375778E+00 WEIGHT= 6.623000D-01 (turns, 4th order) +ETURN6= 0.000000E+00 WEIGHT= 0.000000D+00 (turns, 6th order) +ESCCOR= 0.000000E+00 WEIGHT= 0.000000D+00 (backbone-rotamer corr) +EDIHC= 0.000000E+00 (dihedral angle constraints) +ESS= 0.000000E+00 (disulfide-bridge intrinsic energy) +UCONST= 0.000000E+00 (Constraint energy) +EDFAD= 5.491269-315 (DFA distance energy) +EDFAT= 6.953158-310 (DFA torsion energy) +EDFAN= 6.953158-310 (DFA NCa energy) +EDFAB= 2.650815-317 (DFA Beta energy) +ETOT= -8.512033E+01 (total) +RMS deviation from the reference structure: 4.896 + % of native contacts: 33.333 + % of nonnative contacts: 78.947 + contact order: 0.282 + TM-score with the reference structure: 0.27 + Conformation # 115 read + + + Conformation # 112 sumsl return code 4 + +Virtual-chain energies: + +EVDW= -5.242327E+01 WEIGHT= 1.352790D+00 (SC-SC) +EVDW2= 5.094404E+01 WEIGHT= 1.593040D+00 (SC-p) +EES= -1.039435E+02 WEIGHT= 7.153400D-01 (p-p) +EVDWPP= -1.910171E+01 WEIGHT= 1.137100D-01 (p-p VDW) +ESTR= 0.000000E+00 WEIGHT= 1.000000D+00 (stretching) +EBE= -4.130438E+01 WEIGHT= 1.138730D+00 (bending) +ESC= 3.997114E+01 WEIGHT= 1.625800D-01 (SC local) +ETORS= 1.202100E+01 WEIGHT= 1.985990D+00 (torsional) +ETORSD= -5.630433E-01 WEIGHT= 1.570690D+00 (double torsional) +EHBP= 0.000000E+00 WEIGHT= 1.000000D+00 (SS bridges & dist. cnstr.) +ECORR4= -7.322731E+01 WEIGHT= 4.288700D-01 (multi-body) +ECORR5= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body) +ECORR6= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body) +EELLO= 6.838928E-01 WEIGHT= 1.603600D-01 (electrostatic-local) +ETURN3= 1.713124E+01 WEIGHT= 1.687220D+00 (turns, 3rd order) +ETURN4= -6.964243E-01 WEIGHT= 6.623000D-01 (turns, 4th order) +ETURN6= 0.000000E+00 WEIGHT= 0.000000D+00 (turns, 6th order) +ESCCOR= 0.000000E+00 WEIGHT= 0.000000D+00 (backbone-rotamer corr) +EDIHC= 0.000000E+00 (dihedral angle constraints) +ESS= 0.000000E+00 (disulfide-bridge intrinsic energy) +UCONST= 0.000000E+00 (Constraint energy) +EDFAD= 5.491269-315 (DFA distance energy) +EDFAT= 6.953158-310 (DFA torsion energy) +EDFAN= 6.953158-310 (DFA NCa energy) +EDFAB= 2.650815-317 (DFA Beta energy) +ETOT= -8.668798E+01 (total) +RMS deviation from the reference structure: 3.428 + % of native contacts: 50.000 + % of nonnative contacts: 72.727 + contact order: 0.401 + TM-score with the reference structure: 0.27 + Conformation # 116 read + + + Conformation # 115 sumsl return code 4 + +Virtual-chain energies: + +EVDW= -4.851068E+01 WEIGHT= 1.352790D+00 (SC-SC) +EVDW2= 4.559134E+01 WEIGHT= 1.593040D+00 (SC-p) +EES= -8.666728E+01 WEIGHT= 7.153400D-01 (p-p) +EVDWPP= -3.081903E+01 WEIGHT= 1.137100D-01 (p-p VDW) +ESTR= 0.000000E+00 WEIGHT= 1.000000D+00 (stretching) +EBE= -4.144644E+01 WEIGHT= 1.138730D+00 (bending) +ESC= 3.433608E+01 WEIGHT= 1.625800D-01 (SC local) +ETORS= 8.961358E+00 WEIGHT= 1.985990D+00 (torsional) +ETORSD= 4.923647E-01 WEIGHT= 1.570690D+00 (double torsional) +EHBP= 0.000000E+00 WEIGHT= 1.000000D+00 (SS bridges & dist. cnstr.) +ECORR4= -6.015026E+01 WEIGHT= 4.288700D-01 (multi-body) +ECORR5= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body) +ECORR6= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body) +EELLO= -2.200885E+00 WEIGHT= 1.603600D-01 (electrostatic-local) +ETURN3= 1.436547E+01 WEIGHT= 1.687220D+00 (turns, 3rd order) +ETURN4= -2.211555E+00 WEIGHT= 6.623000D-01 (turns, 4th order) +ETURN6= 0.000000E+00 WEIGHT= 0.000000D+00 (turns, 6th order) +ESCCOR= 0.000000E+00 WEIGHT= 0.000000D+00 (backbone-rotamer corr) +EDIHC= 0.000000E+00 (dihedral angle constraints) +ESS= 0.000000E+00 (disulfide-bridge intrinsic energy) +UCONST= 0.000000E+00 (Constraint energy) +EDFAD= 5.491269-315 (DFA distance energy) +EDFAT= 6.953158-310 (DFA torsion energy) +EDFAN= 6.953158-310 (DFA NCa energy) +EDFAB= 2.650815-317 (DFA Beta energy) +ETOT= -8.491695E+01 (total) +RMS deviation from the reference structure: 4.101 + % of native contacts: 33.333 + % of nonnative contacts: 76.471 + contact order: 0.321 + TM-score with the reference structure: 0.31 + Conformation # 117 read + + + Conformation # 116 sumsl return code 4 + +Virtual-chain energies: + +EVDW= -5.346322E+01 WEIGHT= 1.352790D+00 (SC-SC) +EVDW2= 5.023763E+01 WEIGHT= 1.593040D+00 (SC-p) +EES= -9.998351E+01 WEIGHT= 7.153400D-01 (p-p) +EVDWPP= -2.376518E+01 WEIGHT= 1.137100D-01 (p-p VDW) +ESTR= 0.000000E+00 WEIGHT= 1.000000D+00 (stretching) +EBE= -3.884941E+01 WEIGHT= 1.138730D+00 (bending) +ESC= 4.421116E+01 WEIGHT= 1.625800D-01 (SC local) +ETORS= 8.581505E+00 WEIGHT= 1.985990D+00 (torsional) +ETORSD= 9.189142E-01 WEIGHT= 1.570690D+00 (double torsional) +EHBP= 0.000000E+00 WEIGHT= 1.000000D+00 (SS bridges & dist. cnstr.) +ECORR4= -7.527252E+01 WEIGHT= 4.288700D-01 (multi-body) +ECORR5= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body) +ECORR6= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body) +EELLO= -3.767585E+00 WEIGHT= 1.603600D-01 (electrostatic-local) +ETURN3= 1.842217E+01 WEIGHT= 1.687220D+00 (turns, 3rd order) +ETURN4= -3.985457E+00 WEIGHT= 6.623000D-01 (turns, 4th order) +ETURN6= 0.000000E+00 WEIGHT= 0.000000D+00 (turns, 6th order) +ESCCOR= 0.000000E+00 WEIGHT= 0.000000D+00 (backbone-rotamer corr) +EDIHC= 0.000000E+00 (dihedral angle constraints) +ESS= 0.000000E+00 (disulfide-bridge intrinsic energy) +UCONST= 0.000000E+00 (Constraint energy) +EDFAD= 5.491269-315 (DFA distance energy) +EDFAT= 6.953158-310 (DFA torsion energy) +EDFAN= 6.953158-310 (DFA NCa energy) +EDFAB= 2.650815-317 (DFA Beta energy) +ETOT= -8.952713E+01 (total) +RMS deviation from the reference structure: 2.605 + % of native contacts: 50.000 + % of nonnative contacts: 71.429 + contact order: 0.290 + TM-score with the reference structure: 0.30 + Conformation # 118 read + + + Conformation # 114 sumsl return code 4 + +Virtual-chain energies: + +EVDW= -5.268079E+01 WEIGHT= 1.352790D+00 (SC-SC) +EVDW2= 4.741509E+01 WEIGHT= 1.593040D+00 (SC-p) +EES= -9.630309E+01 WEIGHT= 7.153400D-01 (p-p) +EVDWPP= -2.337914E+01 WEIGHT= 1.137100D-01 (p-p VDW) +ESTR= 0.000000E+00 WEIGHT= 1.000000D+00 (stretching) +EBE= -3.721869E+01 WEIGHT= 1.138730D+00 (bending) +ESC= 4.598975E+01 WEIGHT= 1.625800D-01 (SC local) +ETORS= 1.157598E+01 WEIGHT= 1.985990D+00 (torsional) +ETORSD= -4.446267E-01 WEIGHT= 1.570690D+00 (double torsional) +EHBP= 0.000000E+00 WEIGHT= 1.000000D+00 (SS bridges & dist. cnstr.) +ECORR4= -7.037918E+01 WEIGHT= 4.288700D-01 (multi-body) +ECORR5= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body) +ECORR6= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body) +EELLO= -1.677141E+00 WEIGHT= 1.603600D-01 (electrostatic-local) +ETURN3= 1.721241E+01 WEIGHT= 1.687220D+00 (turns, 3rd order) +ETURN4= -4.211287E+00 WEIGHT= 6.623000D-01 (turns, 4th order) +ETURN6= 0.000000E+00 WEIGHT= 0.000000D+00 (turns, 6th order) +ESCCOR= 0.000000E+00 WEIGHT= 0.000000D+00 (backbone-rotamer corr) +EDIHC= 0.000000E+00 (dihedral angle constraints) +ESS= 0.000000E+00 (disulfide-bridge intrinsic energy) +UCONST= 0.000000E+00 (Constraint energy) +EDFAD= 5.491269-315 (DFA distance energy) +EDFAT= 6.953158-310 (DFA torsion energy) +EDFAN= 6.953158-310 (DFA NCa energy) +EDFAB= 2.650815-317 (DFA Beta energy) +ETOT= -8.409392E+01 (total) +RMS deviation from the reference structure: 3.329 + % of native contacts: 16.667 + % of nonnative contacts: 85.714 + contact order: 0.312 + TM-score with the reference structure: 0.28 + Conformation # 119 read + + + Conformation # 108 sumsl return code 4 + +Virtual-chain energies: + +EVDW= -4.860408E+01 WEIGHT= 1.352790D+00 (SC-SC) +EVDW2= 6.122271E+01 WEIGHT= 1.593040D+00 (SC-p) +EES= -1.220830E+02 WEIGHT= 7.153400D-01 (p-p) +EVDWPP= -1.535458E+01 WEIGHT= 1.137100D-01 (p-p VDW) +ESTR= 0.000000E+00 WEIGHT= 1.000000D+00 (stretching) +EBE= -3.524350E+01 WEIGHT= 1.138730D+00 (bending) +ESC= 4.195598E+01 WEIGHT= 1.625800D-01 (SC local) +ETORS= 1.190706E+01 WEIGHT= 1.985990D+00 (torsional) +ETORSD= -2.261634E+00 WEIGHT= 1.570690D+00 (double torsional) +EHBP= 0.000000E+00 WEIGHT= 1.000000D+00 (SS bridges & dist. cnstr.) +ECORR4= -9.534241E+01 WEIGHT= 4.288700D-01 (multi-body) +ECORR5= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body) +ECORR6= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body) +EELLO= -8.280665E+00 WEIGHT= 1.603600D-01 (electrostatic-local) +ETURN3= 1.781935E+01 WEIGHT= 1.687220D+00 (turns, 3rd order) +ETURN4= -5.590914E+00 WEIGHT= 6.623000D-01 (turns, 4th order) +ETURN6= 0.000000E+00 WEIGHT= 0.000000D+00 (turns, 6th order) +ESCCOR= 0.000000E+00 WEIGHT= 0.000000D+00 (backbone-rotamer corr) +EDIHC= 0.000000E+00 (dihedral angle constraints) +ESS= 0.000000E+00 (disulfide-bridge intrinsic energy) +UCONST= 0.000000E+00 (Constraint energy) +EDFAD= 5.491269-315 (DFA distance energy) +EDFAT= 6.953158-310 (DFA torsion energy) +EDFAN= 6.953158-310 (DFA NCa energy) +EDFAB= 2.650815-317 (DFA Beta energy) +ETOT= -8.636945E+01 (total) +RMS deviation from the reference structure: 3.095 + % of native contacts: 58.333 + % of nonnative contacts: 65.000 + contact order: 0.261 + TM-score with the reference structure: 0.29 + Conformation # 120 read + + + Conformation # 111 sumsl return code 4 + +Virtual-chain energies: + +EVDW= -5.378916E+01 WEIGHT= 1.352790D+00 (SC-SC) +EVDW2= 5.375793E+01 WEIGHT= 1.593040D+00 (SC-p) +EES= -1.063399E+02 WEIGHT= 7.153400D-01 (p-p) +EVDWPP= -1.885744E+01 WEIGHT= 1.137100D-01 (p-p VDW) +ESTR= 0.000000E+00 WEIGHT= 1.000000D+00 (stretching) +EBE= -4.094057E+01 WEIGHT= 1.138730D+00 (bending) +ESC= 2.870332E+01 WEIGHT= 1.625800D-01 (SC local) +ETORS= 1.416172E+01 WEIGHT= 1.985990D+00 (torsional) +ETORSD= -2.469450E+00 WEIGHT= 1.570690D+00 (double torsional) +EHBP= 0.000000E+00 WEIGHT= 1.000000D+00 (SS bridges & dist. cnstr.) +ECORR4= -7.827931E+01 WEIGHT= 4.288700D-01 (multi-body) +ECORR5= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body) +ECORR6= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body) +EELLO= -3.511283E-01 WEIGHT= 1.603600D-01 (electrostatic-local) +ETURN3= 1.794873E+01 WEIGHT= 1.687220D+00 (turns, 3rd order) +ETURN4= 1.158831E+00 WEIGHT= 6.623000D-01 (turns, 4th order) +ETURN6= 0.000000E+00 WEIGHT= 0.000000D+00 (turns, 6th order) +ESCCOR= 0.000000E+00 WEIGHT= 0.000000D+00 (backbone-rotamer corr) +EDIHC= 0.000000E+00 (dihedral angle constraints) +ESS= 0.000000E+00 (disulfide-bridge intrinsic energy) +UCONST= 0.000000E+00 (Constraint energy) +EDFAD= 5.491269-315 (DFA distance energy) +EDFAT= 6.953158-310 (DFA torsion energy) +EDFAN= 6.953158-310 (DFA NCa energy) +EDFAB= 2.650815-317 (DFA Beta energy) +ETOT= -8.562473E+01 (total) +RMS deviation from the reference structure: 4.105 + % of native contacts: 41.667 + % of nonnative contacts: 75.000 + contact order: 0.300 + TM-score with the reference structure: 0.29 + Conformation # 121 read + + + Conformation # 119 sumsl return code 4 + +Virtual-chain energies: + +EVDW= -5.331292E+01 WEIGHT= 1.352790D+00 (SC-SC) +EVDW2= 5.197925E+01 WEIGHT= 1.593040D+00 (SC-p) +EES= -1.034186E+02 WEIGHT= 7.153400D-01 (p-p) +EVDWPP= -2.415704E+01 WEIGHT= 1.137100D-01 (p-p VDW) +ESTR= 0.000000E+00 WEIGHT= 1.000000D+00 (stretching) +EBE= -3.593420E+01 WEIGHT= 1.138730D+00 (bending) +ESC= 3.257270E+01 WEIGHT= 1.625800D-01 (SC local) +ETORS= 9.460081E+00 WEIGHT= 1.985990D+00 (torsional) +ETORSD= -2.555473E-01 WEIGHT= 1.570690D+00 (double torsional) +EHBP= 0.000000E+00 WEIGHT= 1.000000D+00 (SS bridges & dist. cnstr.) +ECORR4= -7.828414E+01 WEIGHT= 4.288700D-01 (multi-body) +ECORR5= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body) +ECORR6= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body) +EELLO= -5.731423E+00 WEIGHT= 1.603600D-01 (electrostatic-local) +ETURN3= 1.829564E+01 WEIGHT= 1.687220D+00 (turns, 3rd order) +ETURN4= -2.497192E+00 WEIGHT= 6.623000D-01 (turns, 4th order) +ETURN6= 0.000000E+00 WEIGHT= 0.000000D+00 (turns, 6th order) +ESCCOR= 0.000000E+00 WEIGHT= 0.000000D+00 (backbone-rotamer corr) +EDIHC= 0.000000E+00 (dihedral angle constraints) +ESS= 0.000000E+00 (disulfide-bridge intrinsic energy) +UCONST= 0.000000E+00 (Constraint energy) +EDFAD= 5.491269-315 (DFA distance energy) +EDFAT= 6.953158-310 (DFA torsion energy) +EDFAN= 6.953158-310 (DFA NCa energy) +EDFAB= 2.650815-317 (DFA Beta energy) +ETOT= -8.855785E+01 (total) +RMS deviation from the reference structure: 2.345 + % of native contacts: 50.000 + % of nonnative contacts: 72.727 + contact order: 0.339 + TM-score with the reference structure: 0.30 + Conformation # 122 read + + + Conformation # 117 sumsl return code 4 + +Virtual-chain energies: + +EVDW= -5.380249E+01 WEIGHT= 1.352790D+00 (SC-SC) +EVDW2= 4.929180E+01 WEIGHT= 1.593040D+00 (SC-p) +EES= -1.007539E+02 WEIGHT= 7.153400D-01 (p-p) +EVDWPP= -2.523339E+01 WEIGHT= 1.137100D-01 (p-p VDW) +ESTR= 0.000000E+00 WEIGHT= 1.000000D+00 (stretching) +EBE= -3.888660E+01 WEIGHT= 1.138730D+00 (bending) +ESC= 4.005106E+01 WEIGHT= 1.625800D-01 (SC local) +ETORS= 9.586017E+00 WEIGHT= 1.985990D+00 (torsional) +ETORSD= 1.418497E-01 WEIGHT= 1.570690D+00 (double torsional) +EHBP= 0.000000E+00 WEIGHT= 1.000000D+00 (SS bridges & dist. cnstr.) +ECORR4= -7.570984E+01 WEIGHT= 4.288700D-01 (multi-body) +ECORR5= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body) +ECORR6= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body) +EELLO= -5.752869E+00 WEIGHT= 1.603600D-01 (electrostatic-local) +ETURN3= 1.841239E+01 WEIGHT= 1.687220D+00 (turns, 3rd order) +ETURN4= -2.063718E+00 WEIGHT= 6.623000D-01 (turns, 4th order) +ETURN6= 0.000000E+00 WEIGHT= 0.000000D+00 (turns, 6th order) +ESCCOR= 0.000000E+00 WEIGHT= 0.000000D+00 (backbone-rotamer corr) +EDIHC= 0.000000E+00 (dihedral angle constraints) +ESS= 0.000000E+00 (disulfide-bridge intrinsic energy) +UCONST= 0.000000E+00 (Constraint energy) +EDFAD= 5.491269-315 (DFA distance energy) +EDFAT= 6.953158-310 (DFA torsion energy) +EDFAN= 6.953158-310 (DFA NCa energy) +EDFAB= 2.650815-317 (DFA Beta energy) +ETOT= -9.140482E+01 (total) +RMS deviation from the reference structure: 2.858 + % of native contacts: 50.000 + % of nonnative contacts: 72.727 + contact order: 0.289 + TM-score with the reference structure: 0.31 + Conformation # 123 read + + + Conformation # 69 sumsl return code 4 + +Virtual-chain energies: + +EVDW= -4.920319E+01 WEIGHT= 1.352790D+00 (SC-SC) +EVDW2= 3.643192E+01 WEIGHT= 1.593040D+00 (SC-p) +EES= -6.548397E+01 WEIGHT= 7.153400D-01 (p-p) +EVDWPP= -2.941732E+01 WEIGHT= 1.137100D-01 (p-p VDW) +ESTR= 0.000000E+00 WEIGHT= 1.000000D+00 (stretching) +EBE= -3.939065E+01 WEIGHT= 1.138730D+00 (bending) +ESC= 3.485384E+01 WEIGHT= 1.625800D-01 (SC local) +ETORS= 5.975187E+00 WEIGHT= 1.985990D+00 (torsional) +ETORSD= -2.133724E+00 WEIGHT= 1.570690D+00 (double torsional) +EHBP= 0.000000E+00 WEIGHT= 1.000000D+00 (SS bridges & dist. cnstr.) +ECORR4= -4.566465E+01 WEIGHT= 4.288700D-01 (multi-body) +ECORR5= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body) +ECORR6= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body) +EELLO= 1.733689E+00 WEIGHT= 1.603600D-01 (electrostatic-local) +ETURN3= 1.409397E+01 WEIGHT= 1.687220D+00 (turns, 3rd order) +ETURN4= 1.713680E+00 WEIGHT= 6.623000D-01 (turns, 4th order) +ETURN6= 0.000000E+00 WEIGHT= 0.000000D+00 (turns, 6th order) +ESCCOR= 0.000000E+00 WEIGHT= 0.000000D+00 (backbone-rotamer corr) +EDIHC= 0.000000E+00 (dihedral angle constraints) +ESS= 0.000000E+00 (disulfide-bridge intrinsic energy) +UCONST= 0.000000E+00 (Constraint energy) +EDFAD= 5.491269-315 (DFA distance energy) +EDFAT= 6.953158-310 (DFA torsion energy) +EDFAN= 6.953158-310 (DFA NCa energy) +EDFAB= 2.650815-317 (DFA Beta energy) +ETOT= -8.377753E+01 (total) +RMS deviation from the reference structure: 4.423 + % of native contacts: 25.000 + % of nonnative contacts: 83.333 + contact order: 0.394 + TM-score with the reference structure: 0.26 + Conformation # 124 read + + + Conformation # 123 sumsl return code 4 + +Virtual-chain energies: + +EVDW= -4.818313E+01 WEIGHT= 1.352790D+00 (SC-SC) +EVDW2= 4.869203E+01 WEIGHT= 1.593040D+00 (SC-p) +EES= -9.087081E+01 WEIGHT= 7.153400D-01 (p-p) +EVDWPP= -3.098310E+01 WEIGHT= 1.137100D-01 (p-p VDW) +ESTR= 0.000000E+00 WEIGHT= 1.000000D+00 (stretching) +EBE= -3.900805E+01 WEIGHT= 1.138730D+00 (bending) +ESC= 2.979270E+01 WEIGHT= 1.625800D-01 (SC local) +ETORS= 1.048510E+01 WEIGHT= 1.985990D+00 (torsional) +ETORSD= -2.670117E+00 WEIGHT= 1.570690D+00 (double torsional) +EHBP= 0.000000E+00 WEIGHT= 1.000000D+00 (SS bridges & dist. cnstr.) +ECORR4= -6.762290E+01 WEIGHT= 4.288700D-01 (multi-body) +ECORR5= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body) +ECORR6= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body) +EELLO= 1.112720E+00 WEIGHT= 1.603600D-01 (electrostatic-local) +ETURN3= 1.350122E+01 WEIGHT= 1.687220D+00 (turns, 3rd order) +ETURN4= -1.988614E-01 WEIGHT= 6.623000D-01 (turns, 4th order) +ETURN6= 0.000000E+00 WEIGHT= 0.000000D+00 (turns, 6th order) +ESCCOR= 0.000000E+00 WEIGHT= 0.000000D+00 (backbone-rotamer corr) +EDIHC= 0.000000E+00 (dihedral angle constraints) +ESS= 0.000000E+00 (disulfide-bridge intrinsic energy) +UCONST= 0.000000E+00 (Constraint energy) +EDFAD= 5.491269-315 (DFA distance energy) +EDFAT= 6.953158-310 (DFA torsion energy) +EDFAN= 6.953158-310 (DFA NCa energy) +EDFAB= 2.650815-317 (DFA Beta energy) +ETOT= -8.526164E+01 (total) +RMS deviation from the reference structure: 4.105 + % of native contacts: 50.000 + % of nonnative contacts: 70.000 + contact order: 0.357 + TM-score with the reference structure: 0.31 + Conformation # 125 read + + + Conformation # 122 sumsl return code 4 + +Virtual-chain energies: + +EVDW= -5.397051E+01 WEIGHT= 1.352790D+00 (SC-SC) +EVDW2= 4.522837E+01 WEIGHT= 1.593040D+00 (SC-p) +EES= -8.637575E+01 WEIGHT= 7.153400D-01 (p-p) +EVDWPP= -3.004787E+01 WEIGHT= 1.137100D-01 (p-p VDW) +ESTR= 0.000000E+00 WEIGHT= 1.000000D+00 (stretching) +EBE= -3.737668E+01 WEIGHT= 1.138730D+00 (bending) +ESC= 4.173907E+01 WEIGHT= 1.625800D-01 (SC local) +ETORS= 7.419752E+00 WEIGHT= 1.985990D+00 (torsional) +ETORSD= 7.381487E-01 WEIGHT= 1.570690D+00 (double torsional) +EHBP= 0.000000E+00 WEIGHT= 1.000000D+00 (SS bridges & dist. cnstr.) +ECORR4= -6.527592E+01 WEIGHT= 4.288700D-01 (multi-body) +ECORR5= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body) +ECORR6= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body) +EELLO= -4.332356E+00 WEIGHT= 1.603600D-01 (electrostatic-local) +ETURN3= 1.653682E+01 WEIGHT= 1.687220D+00 (turns, 3rd order) +ETURN4= -1.917438E+00 WEIGHT= 6.623000D-01 (turns, 4th order) +ETURN6= 0.000000E+00 WEIGHT= 0.000000D+00 (turns, 6th order) +ESCCOR= 0.000000E+00 WEIGHT= 0.000000D+00 (backbone-rotamer corr) +EDIHC= 0.000000E+00 (dihedral angle constraints) +ESS= 0.000000E+00 (disulfide-bridge intrinsic energy) +UCONST= 0.000000E+00 (Constraint energy) +EDFAD= 5.491269-315 (DFA distance energy) +EDFAT= 6.953158-310 (DFA torsion energy) +EDFAN= 6.953158-310 (DFA NCa energy) +EDFAB= 2.650815-317 (DFA Beta energy) +ETOT= -8.810428E+01 (total) +RMS deviation from the reference structure: 2.962 + % of native contacts: 50.000 + % of nonnative contacts: 72.727 + contact order: 0.312 + TM-score with the reference structure: 0.30 + Conformation # 126 read + + + Conformation # 125 sumsl return code 4 + +Virtual-chain energies: + +EVDW= -5.078950E+01 WEIGHT= 1.352790D+00 (SC-SC) +EVDW2= 4.913631E+01 WEIGHT= 1.593040D+00 (SC-p) +EES= -9.987614E+01 WEIGHT= 7.153400D-01 (p-p) +EVDWPP= -2.172987E+01 WEIGHT= 1.137100D-01 (p-p VDW) +ESTR= 0.000000E+00 WEIGHT= 1.000000D+00 (stretching) +EBE= -4.042024E+01 WEIGHT= 1.138730D+00 (bending) +ESC= 4.081295E+01 WEIGHT= 1.625800D-01 (SC local) +ETORS= 1.022220E+01 WEIGHT= 1.985990D+00 (torsional) +ETORSD= 6.869584E-02 WEIGHT= 1.570690D+00 (double torsional) +EHBP= 0.000000E+00 WEIGHT= 1.000000D+00 (SS bridges & dist. cnstr.) +ECORR4= -7.216795E+01 WEIGHT= 4.288700D-01 (multi-body) +ECORR5= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body) +ECORR6= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body) +EELLO= -5.321539E+00 WEIGHT= 1.603600D-01 (electrostatic-local) +ETURN3= 1.944246E+01 WEIGHT= 1.687220D+00 (turns, 3rd order) +ETURN4= -2.186088E+00 WEIGHT= 6.623000D-01 (turns, 4th order) +ETURN6= 0.000000E+00 WEIGHT= 0.000000D+00 (turns, 6th order) +ESCCOR= 0.000000E+00 WEIGHT= 0.000000D+00 (backbone-rotamer corr) +EDIHC= 0.000000E+00 (dihedral angle constraints) +ESS= 0.000000E+00 (disulfide-bridge intrinsic energy) +UCONST= 0.000000E+00 (Constraint energy) +EDFAD= 5.491269-315 (DFA distance energy) +EDFAT= 6.953158-310 (DFA torsion energy) +EDFAN= 6.953158-310 (DFA NCa energy) +EDFAB= 2.650815-317 (DFA Beta energy) +ETOT= -8.377916E+01 (total) +RMS deviation from the reference structure: 4.191 + % of native contacts: 33.333 + % of nonnative contacts: 80.952 + contact order: 0.294 + TM-score with the reference structure: 0.36 + Conformation # 127 read + + + Conformation # 120 sumsl return code 4 + +Virtual-chain energies: + +EVDW= -5.245943E+01 WEIGHT= 1.352790D+00 (SC-SC) +EVDW2= 4.785583E+01 WEIGHT= 1.593040D+00 (SC-p) +EES= -9.565528E+01 WEIGHT= 7.153400D-01 (p-p) +EVDWPP= -1.726569E+01 WEIGHT= 1.137100D-01 (p-p VDW) +ESTR= 0.000000E+00 WEIGHT= 1.000000D+00 (stretching) +EBE= -3.671199E+01 WEIGHT= 1.138730D+00 (bending) +ESC= 4.105299E+01 WEIGHT= 1.625800D-01 (SC local) +ETORS= 1.056150E+01 WEIGHT= 1.985990D+00 (torsional) +ETORSD= -1.657892E+00 WEIGHT= 1.570690D+00 (double torsional) +EHBP= 0.000000E+00 WEIGHT= 1.000000D+00 (SS bridges & dist. cnstr.) +ECORR4= -6.968664E+01 WEIGHT= 4.288700D-01 (multi-body) +ECORR5= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body) +ECORR6= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body) +EELLO= -1.870011E+00 WEIGHT= 1.603600D-01 (electrostatic-local) +ETURN3= 1.838360E+01 WEIGHT= 1.687220D+00 (turns, 3rd order) +ETURN4= -3.709290E+00 WEIGHT= 6.623000D-01 (turns, 4th order) +ETURN6= 0.000000E+00 WEIGHT= 0.000000D+00 (turns, 6th order) +ESCCOR= 0.000000E+00 WEIGHT= 0.000000D+00 (backbone-rotamer corr) +EDIHC= 0.000000E+00 (dihedral angle constraints) +ESS= 0.000000E+00 (disulfide-bridge intrinsic energy) +UCONST= 0.000000E+00 (Constraint energy) +EDFAD= 5.491269-315 (DFA distance energy) +EDFAT= 6.953158-310 (DFA torsion energy) +EDFAN= 6.953158-310 (DFA NCa energy) +EDFAB= 2.650815-317 (DFA Beta energy) +ETOT= -8.350519E+01 (total) +RMS deviation from the reference structure: 4.702 + % of native contacts: 25.000 + % of nonnative contacts: 85.714 + contact order: 0.333 + TM-score with the reference structure: 0.31 + Conformation # 128 read + + + Conformation # 127 sumsl return code 4 + +Virtual-chain energies: + +EVDW= -5.219792E+01 WEIGHT= 1.352790D+00 (SC-SC) +EVDW2= 4.767414E+01 WEIGHT= 1.593040D+00 (SC-p) +EES= -8.382230E+01 WEIGHT= 7.153400D-01 (p-p) +EVDWPP= -4.109974E+01 WEIGHT= 1.137100D-01 (p-p VDW) +ESTR= 0.000000E+00 WEIGHT= 1.000000D+00 (stretching) +EBE= -4.128860E+01 WEIGHT= 1.138730D+00 (bending) +ESC= 3.503076E+01 WEIGHT= 1.625800D-01 (SC local) +ETORS= 8.940973E+00 WEIGHT= 1.985990D+00 (torsional) +ETORSD= 6.380910E-01 WEIGHT= 1.570690D+00 (double torsional) +EHBP= 0.000000E+00 WEIGHT= 1.000000D+00 (SS bridges & dist. cnstr.) +ECORR4= -5.982760E+01 WEIGHT= 4.288700D-01 (multi-body) +ECORR5= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body) +ECORR6= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body) +EELLO= -5.301500E+00 WEIGHT= 1.603600D-01 (electrostatic-local) +ETURN3= 1.491043E+01 WEIGHT= 1.687220D+00 (turns, 3rd order) +ETURN4= -1.548721E+00 WEIGHT= 6.623000D-01 (turns, 4th order) +ETURN6= 0.000000E+00 WEIGHT= 0.000000D+00 (turns, 6th order) +ESCCOR= 0.000000E+00 WEIGHT= 0.000000D+00 (backbone-rotamer corr) +EDIHC= 0.000000E+00 (dihedral angle constraints) +ESS= 0.000000E+00 (disulfide-bridge intrinsic energy) +UCONST= 0.000000E+00 (Constraint energy) +EDFAD= 5.491269-315 (DFA distance energy) +EDFAT= 6.953158-310 (DFA torsion energy) +EDFAN= 6.953158-310 (DFA NCa energy) +EDFAB= 2.650815-317 (DFA Beta energy) +ETOT= -8.424020E+01 (total) +RMS deviation from the reference structure: 3.844 + % of native contacts: 41.667 + % of nonnative contacts: 76.190 + contact order: 0.335 + TM-score with the reference structure: 0.27 + Conformation # 129 read + + + Conformation # 121 sumsl return code 4 + +Virtual-chain energies: + +EVDW= -5.255276E+01 WEIGHT= 1.352790D+00 (SC-SC) +EVDW2= 4.319358E+01 WEIGHT= 1.593040D+00 (SC-p) +EES= -8.048973E+01 WEIGHT= 7.153400D-01 (p-p) +EVDWPP= -2.373419E+01 WEIGHT= 1.137100D-01 (p-p VDW) +ESTR= 0.000000E+00 WEIGHT= 1.000000D+00 (stretching) +EBE= -3.757984E+01 WEIGHT= 1.138730D+00 (bending) +ESC= 4.333407E+01 WEIGHT= 1.625800D-01 (SC local) +ETORS= 8.312364E+00 WEIGHT= 1.985990D+00 (torsional) +ETORSD= -1.918612E+00 WEIGHT= 1.570690D+00 (double torsional) +EHBP= 0.000000E+00 WEIGHT= 1.000000D+00 (SS bridges & dist. cnstr.) +ECORR4= -5.966874E+01 WEIGHT= 4.288700D-01 (multi-body) +ECORR5= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body) +ECORR6= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body) +EELLO= -8.470271E-01 WEIGHT= 1.603600D-01 (electrostatic-local) +ETURN3= 1.663548E+01 WEIGHT= 1.687220D+00 (turns, 3rd order) +ETURN4= -3.139967E+00 WEIGHT= 6.623000D-01 (turns, 4th order) +ETURN6= 0.000000E+00 WEIGHT= 0.000000D+00 (turns, 6th order) +ESCCOR= 0.000000E+00 WEIGHT= 0.000000D+00 (backbone-rotamer corr) +EDIHC= 0.000000E+00 (dihedral angle constraints) +ESS= 0.000000E+00 (disulfide-bridge intrinsic energy) +UCONST= 0.000000E+00 (Constraint energy) +EDFAD= 5.491269-315 (DFA distance energy) +EDFAT= 6.953158-310 (DFA torsion energy) +EDFAN= 6.953158-310 (DFA NCa energy) +EDFAB= 2.650815-317 (DFA Beta energy) +ETOT= -8.455124E+01 (total) +RMS deviation from the reference structure: 5.585 + % of native contacts: 41.667 + % of nonnative contacts: 76.190 + contact order: 0.390 + TM-score with the reference structure: 0.31 + Conformation # 130 read + + + Conformation # 124 sumsl return code 4 + +Virtual-chain energies: + +EVDW= -5.216570E+01 WEIGHT= 1.352790D+00 (SC-SC) +EVDW2= 5.398055E+01 WEIGHT= 1.593040D+00 (SC-p) +EES= -1.099487E+02 WEIGHT= 7.153400D-01 (p-p) +EVDWPP= -3.059308E+01 WEIGHT= 1.137100D-01 (p-p VDW) +ESTR= 0.000000E+00 WEIGHT= 1.000000D+00 (stretching) +EBE= -4.016517E+01 WEIGHT= 1.138730D+00 (bending) +ESC= 4.743627E+01 WEIGHT= 1.625800D-01 (SC local) +ETORS= 1.139440E+01 WEIGHT= 1.985990D+00 (torsional) +ETORSD= -1.010718E+00 WEIGHT= 1.570690D+00 (double torsional) +EHBP= 0.000000E+00 WEIGHT= 1.000000D+00 (SS bridges & dist. cnstr.) +ECORR4= -8.096375E+01 WEIGHT= 4.288700D-01 (multi-body) +ECORR5= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body) +ECORR6= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body) +EELLO= -4.274612E+00 WEIGHT= 1.603600D-01 (electrostatic-local) +ETURN3= 1.929906E+01 WEIGHT= 1.687220D+00 (turns, 3rd order) +ETURN4= -2.804433E+00 WEIGHT= 6.623000D-01 (turns, 4th order) +ETURN6= 0.000000E+00 WEIGHT= 0.000000D+00 (turns, 6th order) +ESCCOR= 0.000000E+00 WEIGHT= 0.000000D+00 (backbone-rotamer corr) +EDIHC= 0.000000E+00 (dihedral angle constraints) +ESS= 0.000000E+00 (disulfide-bridge intrinsic energy) +UCONST= 0.000000E+00 (Constraint energy) +EDFAD= 5.491269-315 (DFA distance energy) +EDFAT= 6.953158-310 (DFA torsion energy) +EDFAN= 6.953158-310 (DFA NCa energy) +EDFAB= 2.650815-317 (DFA Beta energy) +ETOT= -8.839296E+01 (total) +RMS deviation from the reference structure: 2.961 + % of native contacts: 25.000 + % of nonnative contacts: 85.000 + contact order: 0.250 + TM-score with the reference structure: 0.28 + Conformation # 131 read + + + Conformation # 126 sumsl return code 4 + +Virtual-chain energies: + +EVDW= -5.315049E+01 WEIGHT= 1.352790D+00 (SC-SC) +EVDW2= 4.486980E+01 WEIGHT= 1.593040D+00 (SC-p) +EES= -8.414008E+01 WEIGHT= 7.153400D-01 (p-p) +EVDWPP= -2.009192E+01 WEIGHT= 1.137100D-01 (p-p VDW) +ESTR= 0.000000E+00 WEIGHT= 1.000000D+00 (stretching) +EBE= -3.792281E+01 WEIGHT= 1.138730D+00 (bending) +ESC= 4.398079E+01 WEIGHT= 1.625800D-01 (SC local) +ETORS= 6.827375E+00 WEIGHT= 1.985990D+00 (torsional) +ETORSD= 2.220531E+00 WEIGHT= 1.570690D+00 (double torsional) +EHBP= 0.000000E+00 WEIGHT= 1.000000D+00 (SS bridges & dist. cnstr.) +ECORR4= -6.174507E+01 WEIGHT= 4.288700D-01 (multi-body) +ECORR5= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body) +ECORR6= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body) +EELLO= -3.626258E+00 WEIGHT= 1.603600D-01 (electrostatic-local) +ETURN3= 1.563617E+01 WEIGHT= 1.687220D+00 (turns, 3rd order) +ETURN4= -4.296002E+00 WEIGHT= 6.623000D-01 (turns, 4th order) +ETURN6= 0.000000E+00 WEIGHT= 0.000000D+00 (turns, 6th order) +ESCCOR= 0.000000E+00 WEIGHT= 0.000000D+00 (backbone-rotamer corr) +EDIHC= 0.000000E+00 (dihedral angle constraints) +ESS= 0.000000E+00 (disulfide-bridge intrinsic energy) +UCONST= 0.000000E+00 (Constraint energy) +EDFAD= 5.491269-315 (DFA distance energy) +EDFAT= 6.953158-310 (DFA torsion energy) +EDFAN= 6.953158-310 (DFA NCa energy) +EDFAB= 2.650815-317 (DFA Beta energy) +ETOT= -8.540776E+01 (total) +RMS deviation from the reference structure: 5.716 + % of native contacts: 33.333 + % of nonnative contacts: 80.000 + contact order: 0.361 + TM-score with the reference structure: 0.29 + Conformation # 132 read + + + Conformation # 118 sumsl return code 4 + +Virtual-chain energies: + +EVDW= -5.474473E+01 WEIGHT= 1.352790D+00 (SC-SC) +EVDW2= 4.750560E+01 WEIGHT= 1.593040D+00 (SC-p) +EES= -9.412480E+01 WEIGHT= 7.153400D-01 (p-p) +EVDWPP= -2.369423E+01 WEIGHT= 1.137100D-01 (p-p VDW) +ESTR= 0.000000E+00 WEIGHT= 1.000000D+00 (stretching) +EBE= -3.653839E+01 WEIGHT= 1.138730D+00 (bending) +ESC= 5.578797E+01 WEIGHT= 1.625800D-01 (SC local) +ETORS= 8.368973E+00 WEIGHT= 1.985990D+00 (torsional) +ETORSD= -8.265766E-01 WEIGHT= 1.570690D+00 (double torsional) +EHBP= 0.000000E+00 WEIGHT= 1.000000D+00 (SS bridges & dist. cnstr.) +ECORR4= -7.186114E+01 WEIGHT= 4.288700D-01 (multi-body) +ECORR5= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body) +ECORR6= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body) +EELLO= -4.812655E+00 WEIGHT= 1.603600D-01 (electrostatic-local) +ETURN3= 1.914220E+01 WEIGHT= 1.687220D+00 (turns, 3rd order) +ETURN4= -6.140353E-01 WEIGHT= 6.623000D-01 (turns, 4th order) +ETURN6= 0.000000E+00 WEIGHT= 0.000000D+00 (turns, 6th order) +ESCCOR= 0.000000E+00 WEIGHT= 0.000000D+00 (backbone-rotamer corr) +EDIHC= 0.000000E+00 (dihedral angle constraints) +ESS= 0.000000E+00 (disulfide-bridge intrinsic energy) +UCONST= 0.000000E+00 (Constraint energy) +EDFAD= 5.491269-315 (DFA distance energy) +EDFAT= 6.953158-310 (DFA torsion energy) +EDFAN= 6.953158-310 (DFA NCa energy) +EDFAB= 2.650815-317 (DFA Beta energy) +ETOT= -8.532067E+01 (total) +RMS deviation from the reference structure: 6.960 + % of native contacts: 33.333 + % of nonnative contacts: 78.947 + contact order: 0.242 + TM-score with the reference structure: 0.32 + Conformation # 133 read + + + Conformation # 129 sumsl return code 4 + +Virtual-chain energies: + +EVDW= -4.992025E+01 WEIGHT= 1.352790D+00 (SC-SC) +EVDW2= 5.429407E+01 WEIGHT= 1.593040D+00 (SC-p) +EES= -1.131370E+02 WEIGHT= 7.153400D-01 (p-p) +EVDWPP= -1.881771E+01 WEIGHT= 1.137100D-01 (p-p VDW) +ESTR= 0.000000E+00 WEIGHT= 1.000000D+00 (stretching) +EBE= -4.192389E+01 WEIGHT= 1.138730D+00 (bending) +ESC= 3.779735E+01 WEIGHT= 1.625800D-01 (SC local) +ETORS= 1.133735E+01 WEIGHT= 1.985990D+00 (torsional) +ETORSD= 1.500099E-01 WEIGHT= 1.570690D+00 (double torsional) +EHBP= 0.000000E+00 WEIGHT= 1.000000D+00 (SS bridges & dist. cnstr.) +ECORR4= -8.164916E+01 WEIGHT= 4.288700D-01 (multi-body) +ECORR5= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body) +ECORR6= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body) +EELLO= -6.690150E+00 WEIGHT= 1.603600D-01 (electrostatic-local) +ETURN3= 2.142928E+01 WEIGHT= 1.687220D+00 (turns, 3rd order) +ETURN4= -3.161981E+00 WEIGHT= 6.623000D-01 (turns, 4th order) +ETURN6= 0.000000E+00 WEIGHT= 0.000000D+00 (turns, 6th order) +ESCCOR= 0.000000E+00 WEIGHT= 0.000000D+00 (backbone-rotamer corr) +EDIHC= 0.000000E+00 (dihedral angle constraints) +ESS= 0.000000E+00 (disulfide-bridge intrinsic energy) +UCONST= 0.000000E+00 (Constraint energy) +EDFAD= 5.491269-315 (DFA distance energy) +EDFAT= 6.953158-310 (DFA torsion energy) +EDFAN= 6.953158-310 (DFA NCa energy) +EDFAB= 2.650815-317 (DFA Beta energy) +ETOT= -8.498153E+01 (total) +RMS deviation from the reference structure: 4.133 + % of native contacts: 33.333 + % of nonnative contacts: 80.952 + contact order: 0.292 + TM-score with the reference structure: 0.33 + Conformation # 134 read + + + Conformation # 133 sumsl return code 4 + +Virtual-chain energies: + +EVDW= -5.189506E+01 WEIGHT= 1.352790D+00 (SC-SC) +EVDW2= 4.757256E+01 WEIGHT= 1.593040D+00 (SC-p) +EES= -9.838629E+01 WEIGHT= 7.153400D-01 (p-p) +EVDWPP= -1.633343E+01 WEIGHT= 1.137100D-01 (p-p VDW) +ESTR= 0.000000E+00 WEIGHT= 1.000000D+00 (stretching) +EBE= -3.915135E+01 WEIGHT= 1.138730D+00 (bending) +ESC= 5.536124E+01 WEIGHT= 1.625800D-01 (SC local) +ETORS= 9.916706E+00 WEIGHT= 1.985990D+00 (torsional) +ETORSD= -2.210189E+00 WEIGHT= 1.570690D+00 (double torsional) +EHBP= 0.000000E+00 WEIGHT= 1.000000D+00 (SS bridges & dist. cnstr.) +ECORR4= -7.380771E+01 WEIGHT= 4.288700D-01 (multi-body) +ECORR5= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body) +ECORR6= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body) +EELLO= 1.990572E+00 WEIGHT= 1.603600D-01 (electrostatic-local) +ETURN3= 1.962722E+01 WEIGHT= 1.687220D+00 (turns, 3rd order) +ETURN4= -1.617477E-01 WEIGHT= 6.623000D-01 (turns, 4th order) +ETURN6= 0.000000E+00 WEIGHT= 0.000000D+00 (turns, 6th order) +ESCCOR= 0.000000E+00 WEIGHT= 0.000000D+00 (backbone-rotamer corr) +EDIHC= 0.000000E+00 (dihedral angle constraints) +ESS= 0.000000E+00 (disulfide-bridge intrinsic energy) +UCONST= 0.000000E+00 (Constraint energy) +EDFAD= 5.491269-315 (DFA distance energy) +EDFAT= 6.953158-310 (DFA torsion energy) +EDFAN= 6.953158-310 (DFA NCa energy) +EDFAB= 2.650815-317 (DFA Beta energy) +ETOT= -8.434067E+01 (total) +RMS deviation from the reference structure: 6.540 + % of native contacts: 33.333 + % of nonnative contacts: 76.471 + contact order: 0.230 + TM-score with the reference structure: 0.31 + Conformation # 135 read + + + Conformation # 132 sumsl return code 4 + +Virtual-chain energies: + +EVDW= -5.235582E+01 WEIGHT= 1.352790D+00 (SC-SC) +EVDW2= 5.207807E+01 WEIGHT= 1.593040D+00 (SC-p) +EES= -1.071050E+02 WEIGHT= 7.153400D-01 (p-p) +EVDWPP= -1.711575E+01 WEIGHT= 1.137100D-01 (p-p VDW) +ESTR= 0.000000E+00 WEIGHT= 1.000000D+00 (stretching) +EBE= -3.941223E+01 WEIGHT= 1.138730D+00 (bending) +ESC= 4.129151E+01 WEIGHT= 1.625800D-01 (SC local) +ETORS= 1.124429E+01 WEIGHT= 1.985990D+00 (torsional) +ETORSD= -6.972108E-01 WEIGHT= 1.570690D+00 (double torsional) +EHBP= 0.000000E+00 WEIGHT= 1.000000D+00 (SS bridges & dist. cnstr.) +ECORR4= -8.103880E+01 WEIGHT= 4.288700D-01 (multi-body) +ECORR5= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body) +ECORR6= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body) +EELLO= -6.315093E+00 WEIGHT= 1.603600D-01 (electrostatic-local) +ETURN3= 2.005791E+01 WEIGHT= 1.687220D+00 (turns, 3rd order) +ETURN4= -8.401971E-01 WEIGHT= 6.623000D-01 (turns, 4th order) +ETURN6= 0.000000E+00 WEIGHT= 0.000000D+00 (turns, 6th order) +ESCCOR= 0.000000E+00 WEIGHT= 0.000000D+00 (backbone-rotamer corr) +EDIHC= 0.000000E+00 (dihedral angle constraints) +ESS= 0.000000E+00 (disulfide-bridge intrinsic energy) +UCONST= 0.000000E+00 (Constraint energy) +EDFAD= 5.491269-315 (DFA distance energy) +EDFAT= 6.953158-310 (DFA torsion energy) +EDFAN= 6.953158-310 (DFA NCa energy) +EDFAB= 2.650815-317 (DFA Beta energy) +ETOT= -8.583962E+01 (total) +RMS deviation from the reference structure: 2.352 + % of native contacts: 66.667 + % of nonnative contacts: 61.905 + contact order: 0.281 + TM-score with the reference structure: 0.33 + Conformation # 136 read + + + Conformation # 135 sumsl return code 4 + +Virtual-chain energies: + +EVDW= -5.430661E+01 WEIGHT= 1.352790D+00 (SC-SC) +EVDW2= 4.524140E+01 WEIGHT= 1.593040D+00 (SC-p) +EES= -9.366272E+01 WEIGHT= 7.153400D-01 (p-p) +EVDWPP= -1.848621E+01 WEIGHT= 1.137100D-01 (p-p VDW) +ESTR= 0.000000E+00 WEIGHT= 1.000000D+00 (stretching) +EBE= -3.707444E+01 WEIGHT= 1.138730D+00 (bending) +ESC= 6.001340E+01 WEIGHT= 1.625800D-01 (SC local) +ETORS= 8.757867E+00 WEIGHT= 1.985990D+00 (torsional) +ETORSD= -4.223775E-01 WEIGHT= 1.570690D+00 (double torsional) +EHBP= 0.000000E+00 WEIGHT= 1.000000D+00 (SS bridges & dist. cnstr.) +ECORR4= -7.061694E+01 WEIGHT= 4.288700D-01 (multi-body) +ECORR5= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body) +ECORR6= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body) +EELLO= -3.157413E+00 WEIGHT= 1.603600D-01 (electrostatic-local) +ETURN3= 1.909434E+01 WEIGHT= 1.687220D+00 (turns, 3rd order) +ETURN4= -3.376204E+00 WEIGHT= 6.623000D-01 (turns, 4th order) +ETURN6= 0.000000E+00 WEIGHT= 0.000000D+00 (turns, 6th order) +ESCCOR= 0.000000E+00 WEIGHT= 0.000000D+00 (backbone-rotamer corr) +EDIHC= 0.000000E+00 (dihedral angle constraints) +ESS= 0.000000E+00 (disulfide-bridge intrinsic energy) +UCONST= 0.000000E+00 (Constraint energy) +EDFAD= 5.491269-315 (DFA distance energy) +EDFAT= 6.953158-310 (DFA torsion energy) +EDFAN= 6.953158-310 (DFA NCa energy) +EDFAB= 2.650815-317 (DFA Beta energy) +ETOT= -8.703953E+01 (total) +RMS deviation from the reference structure: 6.698 + % of native contacts: 33.333 + % of nonnative contacts: 78.947 + contact order: 0.232 + TM-score with the reference structure: 0.29 + Conformation # 137 read + + + Conformation # 134 sumsl return code 4 + +Virtual-chain energies: + +EVDW= -5.756770E+01 WEIGHT= 1.352790D+00 (SC-SC) +EVDW2= 4.536451E+01 WEIGHT= 1.593040D+00 (SC-p) +EES= -8.876924E+01 WEIGHT= 7.153400D-01 (p-p) +EVDWPP= -2.032483E+01 WEIGHT= 1.137100D-01 (p-p VDW) +ESTR= 0.000000E+00 WEIGHT= 1.000000D+00 (stretching) +EBE= -3.564443E+01 WEIGHT= 1.138730D+00 (bending) +ESC= 5.664901E+01 WEIGHT= 1.625800D-01 (SC local) +ETORS= 8.344204E+00 WEIGHT= 1.985990D+00 (torsional) +ETORSD= -5.974403E-01 WEIGHT= 1.570690D+00 (double torsional) +EHBP= 0.000000E+00 WEIGHT= 1.000000D+00 (SS bridges & dist. cnstr.) +ECORR4= -6.272067E+01 WEIGHT= 4.288700D-01 (multi-body) +ECORR5= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body) +ECORR6= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body) +EELLO= -3.448776E-01 WEIGHT= 1.603600D-01 (electrostatic-local) +ETURN3= 1.772444E+01 WEIGHT= 1.687220D+00 (turns, 3rd order) +ETURN4= -3.314844E+00 WEIGHT= 6.623000D-01 (turns, 4th order) +ETURN6= 0.000000E+00 WEIGHT= 0.000000D+00 (turns, 6th order) +ESCCOR= 0.000000E+00 WEIGHT= 0.000000D+00 (backbone-rotamer corr) +EDIHC= 0.000000E+00 (dihedral angle constraints) +ESS= 0.000000E+00 (disulfide-bridge intrinsic energy) +UCONST= 0.000000E+00 (Constraint energy) +EDFAD= 5.491269-315 (DFA distance energy) +EDFAT= 6.953158-310 (DFA torsion energy) +EDFAN= 6.953158-310 (DFA NCa energy) +EDFAB= 2.650815-317 (DFA Beta energy) +ETOT= -8.641183E+01 (total) +RMS deviation from the reference structure: 5.109 + % of native contacts: 33.333 + % of nonnative contacts: 78.947 + contact order: 0.273 + TM-score with the reference structure: 0.29 + Conformation # 138 read + + + Conformation # 99 sumsl return code 4 + +Virtual-chain energies: + +EVDW= -5.312104E+01 WEIGHT= 1.352790D+00 (SC-SC) +EVDW2= 4.928392E+01 WEIGHT= 1.593040D+00 (SC-p) +EES= -1.012125E+02 WEIGHT= 7.153400D-01 (p-p) +EVDWPP= -3.084398E+01 WEIGHT= 1.137100D-01 (p-p VDW) +ESTR= 0.000000E+00 WEIGHT= 1.000000D+00 (stretching) +EBE= -3.965962E+01 WEIGHT= 1.138730D+00 (bending) +ESC= 4.104372E+01 WEIGHT= 1.625800D-01 (SC local) +ETORS= 1.034439E+01 WEIGHT= 1.985990D+00 (torsional) +ETORSD= 8.635473E-02 WEIGHT= 1.570690D+00 (double torsional) +EHBP= 0.000000E+00 WEIGHT= 1.000000D+00 (SS bridges & dist. cnstr.) +ECORR4= -7.545925E+01 WEIGHT= 4.288700D-01 (multi-body) +ECORR5= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body) +ECORR6= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body) +EELLO= -4.838521E+00 WEIGHT= 1.603600D-01 (electrostatic-local) +ETURN3= 1.896499E+01 WEIGHT= 1.687220D+00 (turns, 3rd order) +ETURN4= -1.141075E+00 WEIGHT= 6.623000D-01 (turns, 4th order) +ETURN6= 0.000000E+00 WEIGHT= 0.000000D+00 (turns, 6th order) +ESCCOR= 0.000000E+00 WEIGHT= 0.000000D+00 (backbone-rotamer corr) +EDIHC= 0.000000E+00 (dihedral angle constraints) +ESS= 0.000000E+00 (disulfide-bridge intrinsic energy) +UCONST= 0.000000E+00 (Constraint energy) +EDFAD= 5.491269-315 (DFA distance energy) +EDFAT= 6.953158-310 (DFA torsion energy) +EDFAN= 6.953158-310 (DFA NCa energy) +EDFAB= 2.650815-317 (DFA Beta energy) +ETOT= -8.896393E+01 (total) +RMS deviation from the reference structure: 2.928 + % of native contacts: 41.667 + % of nonnative contacts: 75.000 + contact order: 0.295 + TM-score with the reference structure: 0.30 + Conformation # 139 read + + + Conformation # 137 sumsl return code 4 + +Virtual-chain energies: + +EVDW= -5.367333E+01 WEIGHT= 1.352790D+00 (SC-SC) +EVDW2= 5.318729E+01 WEIGHT= 1.593040D+00 (SC-p) +EES= -1.058128E+02 WEIGHT= 7.153400D-01 (p-p) +EVDWPP= -2.406776E+01 WEIGHT= 1.137100D-01 (p-p VDW) +ESTR= 0.000000E+00 WEIGHT= 1.000000D+00 (stretching) +EBE= -4.243945E+01 WEIGHT= 1.138730D+00 (bending) +ESC= 3.746250E+01 WEIGHT= 1.625800D-01 (SC local) +ETORS= 1.207440E+01 WEIGHT= 1.985990D+00 (torsional) +ETORSD= -4.580531E-01 WEIGHT= 1.570690D+00 (double torsional) +EHBP= 0.000000E+00 WEIGHT= 1.000000D+00 (SS bridges & dist. cnstr.) +ECORR4= -7.450411E+01 WEIGHT= 4.288700D-01 (multi-body) +ECORR5= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body) +ECORR6= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body) +EELLO= -1.356009E+00 WEIGHT= 1.603600D-01 (electrostatic-local) +ETURN3= 2.003308E+01 WEIGHT= 1.687220D+00 (turns, 3rd order) +ETURN4= -2.817261E+00 WEIGHT= 6.623000D-01 (turns, 4th order) +ETURN6= 0.000000E+00 WEIGHT= 0.000000D+00 (turns, 6th order) +ESCCOR= 0.000000E+00 WEIGHT= 0.000000D+00 (backbone-rotamer corr) +EDIHC= 0.000000E+00 (dihedral angle constraints) +ESS= 0.000000E+00 (disulfide-bridge intrinsic energy) +UCONST= 0.000000E+00 (Constraint energy) +EDFAD= 5.491269-315 (DFA distance energy) +EDFAT= 6.953158-310 (DFA torsion energy) +EDFAN= 6.953158-310 (DFA NCa energy) +EDFAB= 2.650815-317 (DFA Beta energy) +ETOT= -8.552006E+01 (total) +RMS deviation from the reference structure: 4.658 + % of native contacts: 25.000 + % of nonnative contacts: 86.957 + contact order: 0.318 + TM-score with the reference structure: 0.28 + Conformation # 140 read + + + Conformation # 138 sumsl return code 4 + +Virtual-chain energies: + +EVDW= -5.300626E+01 WEIGHT= 1.352790D+00 (SC-SC) +EVDW2= 3.615496E+01 WEIGHT= 1.593040D+00 (SC-p) +EES= -6.090571E+01 WEIGHT= 7.153400D-01 (p-p) +EVDWPP= -2.887493E+01 WEIGHT= 1.137100D-01 (p-p VDW) +ESTR= 0.000000E+00 WEIGHT= 1.000000D+00 (stretching) +EBE= -3.653725E+01 WEIGHT= 1.138730D+00 (bending) +ESC= 4.899935E+01 WEIGHT= 1.625800D-01 (SC local) +ETORS= 4.950980E+00 WEIGHT= 1.985990D+00 (torsional) +ETORSD= 4.426142E-02 WEIGHT= 1.570690D+00 (double torsional) +EHBP= 0.000000E+00 WEIGHT= 1.000000D+00 (SS bridges & dist. cnstr.) +ECORR4= -4.299856E+01 WEIGHT= 4.288700D-01 (multi-body) +ECORR5= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body) +ECORR6= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body) +EELLO= -3.560256E-01 WEIGHT= 1.603600D-01 (electrostatic-local) +ETURN3= 1.260465E+01 WEIGHT= 1.687220D+00 (turns, 3rd order) +ETURN4= -3.665086E+00 WEIGHT= 6.623000D-01 (turns, 4th order) +ETURN6= 0.000000E+00 WEIGHT= 0.000000D+00 (turns, 6th order) +ESCCOR= 0.000000E+00 WEIGHT= 0.000000D+00 (backbone-rotamer corr) +EDIHC= 0.000000E+00 (dihedral angle constraints) +ESS= 0.000000E+00 (disulfide-bridge intrinsic energy) +UCONST= 0.000000E+00 (Constraint energy) +EDFAD= 5.491269-315 (DFA distance energy) +EDFAT= 6.953158-310 (DFA torsion energy) +EDFAN= 6.953158-310 (DFA NCa energy) +EDFAB= 2.650815-317 (DFA Beta energy) +ETOT= -8.435777E+01 (total) +RMS deviation from the reference structure: 4.236 + % of native contacts: 50.000 + % of nonnative contacts: 68.421 + contact order: 0.400 + TM-score with the reference structure: 0.24 + Conformation # 141 read + + + Conformation # 140 sumsl return code 4 + +Virtual-chain energies: + +EVDW= -5.645151E+01 WEIGHT= 1.352790D+00 (SC-SC) +EVDW2= 6.044597E+01 WEIGHT= 1.593040D+00 (SC-p) +EES= -1.145364E+02 WEIGHT= 7.153400D-01 (p-p) +EVDWPP= -2.092793E+01 WEIGHT= 1.137100D-01 (p-p VDW) +ESTR= 0.000000E+00 WEIGHT= 1.000000D+00 (stretching) +EBE= -4.030256E+01 WEIGHT= 1.138730D+00 (bending) +ESC= 3.586689E+01 WEIGHT= 1.625800D-01 (SC local) +ETORS= 1.183785E+01 WEIGHT= 1.985990D+00 (torsional) +ETORSD= 2.569821E-01 WEIGHT= 1.570690D+00 (double torsional) +EHBP= 0.000000E+00 WEIGHT= 1.000000D+00 (SS bridges & dist. cnstr.) +ECORR4= -8.174140E+01 WEIGHT= 4.288700D-01 (multi-body) +ECORR5= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body) +ECORR6= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body) +EELLO= -1.712792E+00 WEIGHT= 1.603600D-01 (electrostatic-local) +ETURN3= 1.731778E+01 WEIGHT= 1.687220D+00 (turns, 3rd order) +ETURN4= -6.682769E-02 WEIGHT= 6.623000D-01 (turns, 4th order) +ETURN6= 0.000000E+00 WEIGHT= 0.000000D+00 (turns, 6th order) +ESCCOR= 0.000000E+00 WEIGHT= 0.000000D+00 (backbone-rotamer corr) +EDIHC= 0.000000E+00 (dihedral angle constraints) +ESS= 0.000000E+00 (disulfide-bridge intrinsic energy) +UCONST= 0.000000E+00 (Constraint energy) +EDFAD= 5.491269-315 (DFA distance energy) +EDFAT= 6.953158-310 (DFA torsion energy) +EDFAN= 6.953158-310 (DFA NCa energy) +EDFAB= 2.650815-317 (DFA Beta energy) +ETOT= -8.669181E+01 (total) +RMS deviation from the reference structure: 4.091 + % of native contacts: 33.333 + % of nonnative contacts: 85.185 + contact order: 0.357 + TM-score with the reference structure: 0.29 + Conformation # 142 read + + + Conformation # 141 sumsl return code 4 + +Virtual-chain energies: + +EVDW= -5.034257E+01 WEIGHT= 1.352790D+00 (SC-SC) +EVDW2= 5.442400E+01 WEIGHT= 1.593040D+00 (SC-p) +EES= -1.209596E+02 WEIGHT= 7.153400D-01 (p-p) +EVDWPP= -9.411377E+00 WEIGHT= 1.137100D-01 (p-p VDW) +ESTR= 0.000000E+00 WEIGHT= 1.000000D+00 (stretching) +EBE= -4.015021E+01 WEIGHT= 1.138730D+00 (bending) +ESC= 3.578735E+01 WEIGHT= 1.625800D-01 (SC local) +ETORS= 1.459115E+01 WEIGHT= 1.985990D+00 (torsional) +ETORSD= -1.096742E+00 WEIGHT= 1.570690D+00 (double torsional) +EHBP= 0.000000E+00 WEIGHT= 1.000000D+00 (SS bridges & dist. cnstr.) +ECORR4= -9.000401E+01 WEIGHT= 4.288700D-01 (multi-body) +ECORR5= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body) +ECORR6= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body) +EELLO= -6.529157E-01 WEIGHT= 1.603600D-01 (electrostatic-local) +ETURN3= 2.030217E+01 WEIGHT= 1.687220D+00 (turns, 3rd order) +ETURN4= 6.080775E-01 WEIGHT= 6.623000D-01 (turns, 4th order) +ETURN6= 0.000000E+00 WEIGHT= 0.000000D+00 (turns, 6th order) +ESCCOR= 0.000000E+00 WEIGHT= 0.000000D+00 (backbone-rotamer corr) +EDIHC= 0.000000E+00 (dihedral angle constraints) +ESS= 0.000000E+00 (disulfide-bridge intrinsic energy) +UCONST= 0.000000E+00 (Constraint energy) +EDFAD= 5.491269-315 (DFA distance energy) +EDFAT= 6.953158-310 (DFA torsion energy) +EDFAN= 6.953158-310 (DFA NCa energy) +EDFAB= 2.650815-317 (DFA Beta energy) +ETOT= -8.569521E+01 (total) +RMS deviation from the reference structure: 1.555 + % of native contacts: 66.667 + % of nonnative contacts: 60.000 + contact order: 0.264 + TM-score with the reference structure: 0.33 + Conformation # 143 read + + + Conformation # 139 sumsl return code 4 + +Virtual-chain energies: + +EVDW= -5.244726E+01 WEIGHT= 1.352790D+00 (SC-SC) +EVDW2= 5.734514E+01 WEIGHT= 1.593040D+00 (SC-p) +EES= -1.172652E+02 WEIGHT= 7.153400D-01 (p-p) +EVDWPP= -1.521856E+01 WEIGHT= 1.137100D-01 (p-p VDW) +ESTR= 0.000000E+00 WEIGHT= 1.000000D+00 (stretching) +EBE= -4.199964E+01 WEIGHT= 1.138730D+00 (bending) +ESC= 4.745964E+01 WEIGHT= 1.625800D-01 (SC local) +ETORS= 1.357475E+01 WEIGHT= 1.985990D+00 (torsional) +ETORSD= -1.633357E+00 WEIGHT= 1.570690D+00 (double torsional) +EHBP= 0.000000E+00 WEIGHT= 1.000000D+00 (SS bridges & dist. cnstr.) +ECORR4= -9.060960E+01 WEIGHT= 4.288700D-01 (multi-body) +ECORR5= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body) +ECORR6= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body) +EELLO= -1.337424E-01 WEIGHT= 1.603600D-01 (electrostatic-local) +ETURN3= 1.868176E+01 WEIGHT= 1.687220D+00 (turns, 3rd order) +ETURN4= -1.054629E-01 WEIGHT= 6.623000D-01 (turns, 4th order) +ETURN6= 0.000000E+00 WEIGHT= 0.000000D+00 (turns, 6th order) +ESCCOR= 0.000000E+00 WEIGHT= 0.000000D+00 (backbone-rotamer corr) +EDIHC= 0.000000E+00 (dihedral angle constraints) +ESS= 0.000000E+00 (disulfide-bridge intrinsic energy) +UCONST= 0.000000E+00 (Constraint energy) +EDFAD= 5.491269-315 (DFA distance energy) +EDFAT= 6.953158-310 (DFA torsion energy) +EDFAN= 6.953158-310 (DFA NCa energy) +EDFAB= 2.650815-317 (DFA Beta energy) +ETOT= -8.835924E+01 (total) +RMS deviation from the reference structure: 2.565 + % of native contacts: 50.000 + % of nonnative contacts: 64.706 + contact order: 0.316 + TM-score with the reference structure: 0.30 + Conformation # 144 read + + + Conformation # 143 sumsl return code 4 + +Virtual-chain energies: + +EVDW= -5.168270E+01 WEIGHT= 1.352790D+00 (SC-SC) +EVDW2= 4.466127E+01 WEIGHT= 1.593040D+00 (SC-p) +EES= -8.769092E+01 WEIGHT= 7.153400D-01 (p-p) +EVDWPP= -1.996815E+01 WEIGHT= 1.137100D-01 (p-p VDW) +ESTR= 0.000000E+00 WEIGHT= 1.000000D+00 (stretching) +EBE= -3.757063E+01 WEIGHT= 1.138730D+00 (bending) +ESC= 4.149268E+01 WEIGHT= 1.625800D-01 (SC local) +ETORS= 8.785018E+00 WEIGHT= 1.985990D+00 (torsional) +ETORSD= -2.049599E+00 WEIGHT= 1.570690D+00 (double torsional) +EHBP= 0.000000E+00 WEIGHT= 1.000000D+00 (SS bridges & dist. cnstr.) +ECORR4= -6.622474E+01 WEIGHT= 4.288700D-01 (multi-body) +ECORR5= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body) +ECORR6= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body) +EELLO= -1.140957E+00 WEIGHT= 1.603600D-01 (electrostatic-local) +ETURN3= 1.805006E+01 WEIGHT= 1.687220D+00 (turns, 3rd order) +ETURN4= -2.270515E+00 WEIGHT= 6.623000D-01 (turns, 4th order) +ETURN6= 0.000000E+00 WEIGHT= 0.000000D+00 (turns, 6th order) +ESCCOR= 0.000000E+00 WEIGHT= 0.000000D+00 (backbone-rotamer corr) +EDIHC= 0.000000E+00 (dihedral angle constraints) +ESS= 0.000000E+00 (disulfide-bridge intrinsic energy) +UCONST= 0.000000E+00 (Constraint energy) +EDFAD= 5.491269-315 (DFA distance energy) +EDFAT= 6.953158-310 (DFA torsion energy) +EDFAN= 6.953158-310 (DFA NCa energy) +EDFAB= 2.650815-317 (DFA Beta energy) +ETOT= -8.521142E+01 (total) +RMS deviation from the reference structure: 4.999 + % of native contacts: 41.667 + % of nonnative contacts: 75.000 + contact order: 0.332 + TM-score with the reference structure: 0.31 + Conformation # 145 read + + + Conformation # 136 sumsl return code 4 + +Virtual-chain energies: + +EVDW= -5.137167E+01 WEIGHT= 1.352790D+00 (SC-SC) +EVDW2= 3.826020E+01 WEIGHT= 1.593040D+00 (SC-p) +EES= -5.567136E+01 WEIGHT= 7.153400D-01 (p-p) +EVDWPP= -3.534443E+01 WEIGHT= 1.137100D-01 (p-p VDW) +ESTR= 0.000000E+00 WEIGHT= 1.000000D+00 (stretching) +EBE= -3.385100E+01 WEIGHT= 1.138730D+00 (bending) +ESC= 3.354404E+01 WEIGHT= 1.625800D-01 (SC local) +ETORS= 2.827090E+00 WEIGHT= 1.985990D+00 (torsional) +ETORSD= 4.226415E-01 WEIGHT= 1.570690D+00 (double torsional) +EHBP= 0.000000E+00 WEIGHT= 1.000000D+00 (SS bridges & dist. cnstr.) +ECORR4= -3.948086E+01 WEIGHT= 4.288700D-01 (multi-body) +ECORR5= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body) +ECORR6= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body) +EELLO= -1.189720E+00 WEIGHT= 1.603600D-01 (electrostatic-local) +ETURN3= 6.395225E+00 WEIGHT= 1.687220D+00 (turns, 3rd order) +ETURN4= 1.666936E+00 WEIGHT= 6.623000D-01 (turns, 4th order) +ETURN6= 0.000000E+00 WEIGHT= 0.000000D+00 (turns, 6th order) +ESCCOR= 0.000000E+00 WEIGHT= 0.000000D+00 (backbone-rotamer corr) +EDIHC= 0.000000E+00 (dihedral angle constraints) +ESS= 0.000000E+00 (disulfide-bridge intrinsic energy) +UCONST= 0.000000E+00 (Constraint energy) +EDFAD= 5.491269-315 (DFA distance energy) +EDFAT= 6.953158-310 (DFA torsion energy) +EDFAN= 6.953158-310 (DFA NCa energy) +EDFAB= 2.650815-317 (DFA Beta energy) +ETOT= -8.443194E+01 (total) +RMS deviation from the reference structure: 4.404 + % of native contacts: 25.000 + % of nonnative contacts: 83.333 + contact order: 0.432 + TM-score with the reference structure: 0.16 + Conformation # 146 read + + + Conformation # 145 sumsl return code 4 + +Virtual-chain energies: + +EVDW= -5.575753E+01 WEIGHT= 1.352790D+00 (SC-SC) +EVDW2= 5.509284E+01 WEIGHT= 1.593040D+00 (SC-p) +EES= -1.110953E+02 WEIGHT= 7.153400D-01 (p-p) +EVDWPP= -2.497661E+01 WEIGHT= 1.137100D-01 (p-p VDW) +ESTR= 0.000000E+00 WEIGHT= 1.000000D+00 (stretching) +EBE= -3.835896E+01 WEIGHT= 1.138730D+00 (bending) +ESC= 4.966412E+01 WEIGHT= 1.625800D-01 (SC local) +ETORS= 1.307339E+01 WEIGHT= 1.985990D+00 (torsional) +ETORSD= -1.560249E+00 WEIGHT= 1.570690D+00 (double torsional) +EHBP= 0.000000E+00 WEIGHT= 1.000000D+00 (SS bridges & dist. cnstr.) +ECORR4= -8.435212E+01 WEIGHT= 4.288700D-01 (multi-body) +ECORR5= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body) +ECORR6= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body) +EELLO= -2.372683E+00 WEIGHT= 1.603600D-01 (electrostatic-local) +ETURN3= 1.993729E+01 WEIGHT= 1.687220D+00 (turns, 3rd order) +ETURN4= -5.666365E-01 WEIGHT= 6.623000D-01 (turns, 4th order) +ETURN6= 0.000000E+00 WEIGHT= 0.000000D+00 (turns, 6th order) +ESCCOR= 0.000000E+00 WEIGHT= 0.000000D+00 (backbone-rotamer corr) +EDIHC= 0.000000E+00 (dihedral angle constraints) +ESS= 0.000000E+00 (disulfide-bridge intrinsic energy) +UCONST= 0.000000E+00 (Constraint energy) +EDFAD= 5.491269-315 (DFA distance energy) +EDFAT= 6.953158-310 (DFA torsion energy) +EDFAN= 6.953158-310 (DFA NCa energy) +EDFAB= 2.650815-317 (DFA Beta energy) +ETOT= -8.536057E+01 (total) +RMS deviation from the reference structure: 2.696 + % of native contacts: 50.000 + % of nonnative contacts: 68.421 + contact order: 0.342 + TM-score with the reference structure: 0.30 + Conformation # 147 read + + + Conformation # 128 sumsl return code 4 + +Virtual-chain energies: + +EVDW= -5.109691E+01 WEIGHT= 1.352790D+00 (SC-SC) +EVDW2= 4.613013E+01 WEIGHT= 1.593040D+00 (SC-p) +EES= -9.116374E+01 WEIGHT= 7.153400D-01 (p-p) +EVDWPP= -2.004559E+01 WEIGHT= 1.137100D-01 (p-p VDW) +ESTR= 0.000000E+00 WEIGHT= 1.000000D+00 (stretching) +EBE= -3.783304E+01 WEIGHT= 1.138730D+00 (bending) +ESC= 3.334579E+01 WEIGHT= 1.625800D-01 (SC local) +ETORS= 8.889354E+00 WEIGHT= 1.985990D+00 (torsional) +ETORSD= -1.267366E+00 WEIGHT= 1.570690D+00 (double torsional) +EHBP= 0.000000E+00 WEIGHT= 1.000000D+00 (SS bridges & dist. cnstr.) +ECORR4= -6.914368E+01 WEIGHT= 4.288700D-01 (multi-body) +ECORR5= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body) +ECORR6= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body) +EELLO= -3.942563E+00 WEIGHT= 1.603600D-01 (electrostatic-local) +ETURN3= 1.833681E+01 WEIGHT= 1.687220D+00 (turns, 3rd order) +ETURN4= -2.484581E+00 WEIGHT= 6.623000D-01 (turns, 4th order) +ETURN6= 0.000000E+00 WEIGHT= 0.000000D+00 (turns, 6th order) +ESCCOR= 0.000000E+00 WEIGHT= 0.000000D+00 (backbone-rotamer corr) +EDIHC= 0.000000E+00 (dihedral angle constraints) +ESS= 0.000000E+00 (disulfide-bridge intrinsic energy) +UCONST= 0.000000E+00 (Constraint energy) +EDFAD= 5.491269-315 (DFA distance energy) +EDFAT= 6.953158-310 (DFA torsion energy) +EDFAN= 6.953158-310 (DFA NCa energy) +EDFAB= 2.650815-317 (DFA Beta energy) +ETOT= -8.611861E+01 (total) +RMS deviation from the reference structure: 6.515 + % of native contacts: 16.667 + % of nonnative contacts: 88.889 + contact order: 0.240 + TM-score with the reference structure: 0.29 + Conformation # 148 read + + + Conformation # 142 sumsl return code 4 + +Virtual-chain energies: + +EVDW= -4.896946E+01 WEIGHT= 1.352790D+00 (SC-SC) +EVDW2= 3.899465E+01 WEIGHT= 1.593040D+00 (SC-p) +EES= -7.383812E+01 WEIGHT= 7.153400D-01 (p-p) +EVDWPP= -2.362475E+01 WEIGHT= 1.137100D-01 (p-p VDW) +ESTR= 0.000000E+00 WEIGHT= 1.000000D+00 (stretching) +EBE= -3.763401E+01 WEIGHT= 1.138730D+00 (bending) +ESC= 2.108967E+01 WEIGHT= 1.625800D-01 (SC local) +ETORS= 7.452641E+00 WEIGHT= 1.985990D+00 (torsional) +ETORSD= -2.118518E+00 WEIGHT= 1.570690D+00 (double torsional) +EHBP= 0.000000E+00 WEIGHT= 1.000000D+00 (SS bridges & dist. cnstr.) +ECORR4= -5.526611E+01 WEIGHT= 4.288700D-01 (multi-body) +ECORR5= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body) +ECORR6= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body) +EELLO= -8.800915E-01 WEIGHT= 1.603600D-01 (electrostatic-local) +ETURN3= 1.597271E+01 WEIGHT= 1.687220D+00 (turns, 3rd order) +ETURN4= 6.868818E-01 WEIGHT= 6.623000D-01 (turns, 4th order) +ETURN6= 0.000000E+00 WEIGHT= 0.000000D+00 (turns, 6th order) +ESCCOR= 0.000000E+00 WEIGHT= 0.000000D+00 (backbone-rotamer corr) +EDIHC= 0.000000E+00 (dihedral angle constraints) +ESS= 0.000000E+00 (disulfide-bridge intrinsic energy) +UCONST= 0.000000E+00 (Constraint energy) +EDFAD= 5.491269-315 (DFA distance energy) +EDFAT= 6.953158-310 (DFA torsion energy) +EDFAN= 6.953158-310 (DFA NCa energy) +EDFAB= 2.650815-317 (DFA Beta energy) +ETOT= -8.402268E+01 (total) +RMS deviation from the reference structure: 4.847 + % of native contacts: 25.000 + % of nonnative contacts: 82.353 + contact order: 0.393 + TM-score with the reference structure: 0.28 + Conformation # 149 read + + + Conformation # 144 sumsl return code 4 + +Virtual-chain energies: + +EVDW= -5.547446E+01 WEIGHT= 1.352790D+00 (SC-SC) +EVDW2= 5.257319E+01 WEIGHT= 1.593040D+00 (SC-p) +EES= -1.074350E+02 WEIGHT= 7.153400D-01 (p-p) +EVDWPP= -2.074813E+01 WEIGHT= 1.137100D-01 (p-p VDW) +ESTR= 0.000000E+00 WEIGHT= 1.000000D+00 (stretching) +EBE= -3.852376E+01 WEIGHT= 1.138730D+00 (bending) +ESC= 3.706158E+01 WEIGHT= 1.625800D-01 (SC local) +ETORS= 1.247413E+01 WEIGHT= 1.985990D+00 (torsional) +ETORSD= -1.452256E+00 WEIGHT= 1.570690D+00 (double torsional) +EHBP= 0.000000E+00 WEIGHT= 1.000000D+00 (SS bridges & dist. cnstr.) +ECORR4= -8.046857E+01 WEIGHT= 4.288700D-01 (multi-body) +ECORR5= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body) +ECORR6= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body) +EELLO= -2.466811E+00 WEIGHT= 1.603600D-01 (electrostatic-local) +ETURN3= 2.058328E+01 WEIGHT= 1.687220D+00 (turns, 3rd order) +ETURN4= 8.747288E-02 WEIGHT= 6.623000D-01 (turns, 4th order) +ETURN6= 0.000000E+00 WEIGHT= 0.000000D+00 (turns, 6th order) +ESCCOR= 0.000000E+00 WEIGHT= 0.000000D+00 (backbone-rotamer corr) +EDIHC= 0.000000E+00 (dihedral angle constraints) +ESS= 0.000000E+00 (disulfide-bridge intrinsic energy) +UCONST= 0.000000E+00 (Constraint energy) +EDFAD= 5.491269-315 (DFA distance energy) +EDFAT= 6.953158-310 (DFA torsion energy) +EDFAN= 6.953158-310 (DFA NCa energy) +EDFAB= 2.650815-317 (DFA Beta energy) +ETOT= -8.597580E+01 (total) +RMS deviation from the reference structure: 2.113 + % of native contacts: 58.333 + % of nonnative contacts: 69.565 + contact order: 0.354 + TM-score with the reference structure: 0.30 + Conformation # 150 read + + + Conformation # 147 sumsl return code 4 + +Virtual-chain energies: + +EVDW= -5.155681E+01 WEIGHT= 1.352790D+00 (SC-SC) +EVDW2= 4.818943E+01 WEIGHT= 1.593040D+00 (SC-p) +EES= -8.335082E+01 WEIGHT= 7.153400D-01 (p-p) +EVDWPP= -3.925071E+01 WEIGHT= 1.137100D-01 (p-p VDW) +ESTR= 0.000000E+00 WEIGHT= 1.000000D+00 (stretching) +EBE= -3.648071E+01 WEIGHT= 1.138730D+00 (bending) +ESC= 2.712920E+01 WEIGHT= 1.625800D-01 (SC local) +ETORS= 7.176380E+00 WEIGHT= 1.985990D+00 (torsional) +ETORSD= -1.154835E-02 WEIGHT= 1.570690D+00 (double torsional) +EHBP= 0.000000E+00 WEIGHT= 1.000000D+00 (SS bridges & dist. cnstr.) +ECORR4= -6.235225E+01 WEIGHT= 4.288700D-01 (multi-body) +ECORR5= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body) +ECORR6= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body) +EELLO= -5.790653E+00 WEIGHT= 1.603600D-01 (electrostatic-local) +ETURN3= 1.316114E+01 WEIGHT= 1.687220D+00 (turns, 3rd order) +ETURN4= -1.944163E+00 WEIGHT= 6.623000D-01 (turns, 4th order) +ETURN6= 0.000000E+00 WEIGHT= 0.000000D+00 (turns, 6th order) +ESCCOR= 0.000000E+00 WEIGHT= 0.000000D+00 (backbone-rotamer corr) +EDIHC= 0.000000E+00 (dihedral angle constraints) +ESS= 0.000000E+00 (disulfide-bridge intrinsic energy) +UCONST= 0.000000E+00 (Constraint energy) +EDFAD= 5.491269-315 (DFA distance energy) +EDFAT= 6.953158-310 (DFA torsion energy) +EDFAN= 6.953158-310 (DFA NCa energy) +EDFAB= 2.650815-317 (DFA Beta energy) +ETOT= -8.671363E+01 (total) +RMS deviation from the reference structure: 3.593 + % of native contacts: 41.667 + % of nonnative contacts: 76.190 + contact order: 0.381 + TM-score with the reference structure: 0.27 + Conformation # 151 read + + + Conformation # 150 sumsl return code 4 + +Virtual-chain energies: + +EVDW= -5.396932E+01 WEIGHT= 1.352790D+00 (SC-SC) +EVDW2= 4.430282E+01 WEIGHT= 1.593040D+00 (SC-p) +EES= -8.179717E+01 WEIGHT= 7.153400D-01 (p-p) +EVDWPP= -3.128901E+01 WEIGHT= 1.137100D-01 (p-p VDW) +ESTR= 0.000000E+00 WEIGHT= 1.000000D+00 (stretching) +EBE= -3.421364E+01 WEIGHT= 1.138730D+00 (bending) +ESC= 4.086732E+01 WEIGHT= 1.625800D-01 (SC local) +ETORS= 6.028775E+00 WEIGHT= 1.985990D+00 (torsional) +ETORSD= 2.895443E-01 WEIGHT= 1.570690D+00 (double torsional) +EHBP= 0.000000E+00 WEIGHT= 1.000000D+00 (SS bridges & dist. cnstr.) +ECORR4= -6.095709E+01 WEIGHT= 4.288700D-01 (multi-body) +ECORR5= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body) +ECORR6= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body) +EELLO= -2.618412E+00 WEIGHT= 1.603600D-01 (electrostatic-local) +ETURN3= 1.479271E+01 WEIGHT= 1.687220D+00 (turns, 3rd order) +ETURN4= -5.319512E-02 WEIGHT= 6.623000D-01 (turns, 4th order) +ETURN6= 0.000000E+00 WEIGHT= 0.000000D+00 (turns, 6th order) +ESCCOR= 0.000000E+00 WEIGHT= 0.000000D+00 (backbone-rotamer corr) +EDIHC= 0.000000E+00 (dihedral angle constraints) +ESS= 0.000000E+00 (disulfide-bridge intrinsic energy) +UCONST= 0.000000E+00 (Constraint energy) +EDFAD= 5.491269-315 (DFA distance energy) +EDFAT= 6.953158-310 (DFA torsion energy) +EDFAN= 6.953158-310 (DFA NCa energy) +EDFAB= 2.650815-317 (DFA Beta energy) +ETOT= -8.603090E+01 (total) +RMS deviation from the reference structure: 3.301 + % of native contacts: 66.667 + % of nonnative contacts: 60.000 + contact order: 0.295 + TM-score with the reference structure: 0.30 + Conformation # 152 read + + + Conformation # 146 sumsl return code 4 + +Virtual-chain energies: + +EVDW= -4.706777E+01 WEIGHT= 1.352790D+00 (SC-SC) +EVDW2= 4.079806E+01 WEIGHT= 1.593040D+00 (SC-p) +EES= -7.896290E+01 WEIGHT= 7.153400D-01 (p-p) +EVDWPP= -1.797634E+01 WEIGHT= 1.137100D-01 (p-p VDW) +ESTR= 0.000000E+00 WEIGHT= 1.000000D+00 (stretching) +EBE= -4.035758E+01 WEIGHT= 1.138730D+00 (bending) +ESC= 2.621479E+01 WEIGHT= 1.625800D-01 (SC local) +ETORS= 7.445716E+00 WEIGHT= 1.985990D+00 (torsional) +ETORSD= 7.402192E-01 WEIGHT= 1.570690D+00 (double torsional) +EHBP= 0.000000E+00 WEIGHT= 1.000000D+00 (SS bridges & dist. cnstr.) +ECORR4= -5.810581E+01 WEIGHT= 4.288700D-01 (multi-body) +ECORR5= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body) +ECORR6= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body) +EELLO= -1.798879E+00 WEIGHT= 1.603600D-01 (electrostatic-local) +ETURN3= 1.595769E+01 WEIGHT= 1.687220D+00 (turns, 3rd order) +ETURN4= -4.682979E+00 WEIGHT= 6.623000D-01 (turns, 4th order) +ETURN6= 0.000000E+00 WEIGHT= 0.000000D+00 (turns, 6th order) +ESCCOR= 0.000000E+00 WEIGHT= 0.000000D+00 (backbone-rotamer corr) +EDIHC= 0.000000E+00 (dihedral angle constraints) +ESS= 0.000000E+00 (disulfide-bridge intrinsic energy) +UCONST= 0.000000E+00 (Constraint energy) +EDFAD= 5.491269-315 (DFA distance energy) +EDFAT= 6.953158-310 (DFA torsion energy) +EDFAN= 6.953158-310 (DFA NCa energy) +EDFAB= 2.650815-317 (DFA Beta energy) +ETOT= -8.433961E+01 (total) +RMS deviation from the reference structure: 4.735 + % of native contacts: 25.000 + % of nonnative contacts: 84.211 + contact order: 0.404 + TM-score with the reference structure: 0.30 + Conformation # 153 read + + + Conformation # 152 sumsl return code 4 + +Virtual-chain energies: + +EVDW= -5.315680E+01 WEIGHT= 1.352790D+00 (SC-SC) +EVDW2= 4.772072E+01 WEIGHT= 1.593040D+00 (SC-p) +EES= -8.983751E+01 WEIGHT= 7.153400D-01 (p-p) +EVDWPP= -3.007430E+01 WEIGHT= 1.137100D-01 (p-p VDW) +ESTR= 0.000000E+00 WEIGHT= 1.000000D+00 (stretching) +EBE= -3.848395E+01 WEIGHT= 1.138730D+00 (bending) +ESC= 4.971080E+01 WEIGHT= 1.625800D-01 (SC local) +ETORS= 7.032006E+00 WEIGHT= 1.985990D+00 (torsional) +ETORSD= 2.546598E-01 WEIGHT= 1.570690D+00 (double torsional) +EHBP= 0.000000E+00 WEIGHT= 1.000000D+00 (SS bridges & dist. cnstr.) +ECORR4= -6.816331E+01 WEIGHT= 4.288700D-01 (multi-body) +ECORR5= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body) +ECORR6= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body) +EELLO= -4.178495E+00 WEIGHT= 1.603600D-01 (electrostatic-local) +ETURN3= 1.548426E+01 WEIGHT= 1.687220D+00 (turns, 3rd order) +ETURN4= -1.915466E+00 WEIGHT= 6.623000D-01 (turns, 4th order) +ETURN6= 0.000000E+00 WEIGHT= 0.000000D+00 (turns, 6th order) +ESCCOR= 0.000000E+00 WEIGHT= 0.000000D+00 (backbone-rotamer corr) +EDIHC= 0.000000E+00 (dihedral angle constraints) +ESS= 0.000000E+00 (disulfide-bridge intrinsic energy) +UCONST= 0.000000E+00 (Constraint energy) +EDFAD= 5.491269-315 (DFA distance energy) +EDFAT= 6.953158-310 (DFA torsion energy) +EDFAN= 6.953158-310 (DFA NCa energy) +EDFAB= 2.650815-317 (DFA Beta energy) +ETOT= -8.999497E+01 (total) +RMS deviation from the reference structure: 3.174 + % of native contacts: 66.667 + % of nonnative contacts: 63.636 + contact order: 0.275 + TM-score with the reference structure: 0.30 + Conformation # 154 read + + + Conformation # 149 sumsl return code 4 + +Virtual-chain energies: + +EVDW= -5.240783E+01 WEIGHT= 1.352790D+00 (SC-SC) +EVDW2= 4.463085E+01 WEIGHT= 1.593040D+00 (SC-p) +EES= -7.976189E+01 WEIGHT= 7.153400D-01 (p-p) +EVDWPP= -3.251683E+01 WEIGHT= 1.137100D-01 (p-p VDW) +ESTR= 0.000000E+00 WEIGHT= 1.000000D+00 (stretching) +EBE= -3.889342E+01 WEIGHT= 1.138730D+00 (bending) +ESC= 3.021142E+01 WEIGHT= 1.625800D-01 (SC local) +ETORS= 8.528170E+00 WEIGHT= 1.985990D+00 (torsional) +ETORSD= -1.299596E+00 WEIGHT= 1.570690D+00 (double torsional) +EHBP= 0.000000E+00 WEIGHT= 1.000000D+00 (SS bridges & dist. cnstr.) +ECORR4= -6.016795E+01 WEIGHT= 4.288700D-01 (multi-body) +ECORR5= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body) +ECORR6= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body) +EELLO= -3.474699E+00 WEIGHT= 1.603600D-01 (electrostatic-local) +ETURN3= 1.497701E+01 WEIGHT= 1.687220D+00 (turns, 3rd order) +ETURN4= -9.726432E-02 WEIGHT= 6.623000D-01 (turns, 4th order) +ETURN6= 0.000000E+00 WEIGHT= 0.000000D+00 (turns, 6th order) +ESCCOR= 0.000000E+00 WEIGHT= 0.000000D+00 (backbone-rotamer corr) +EDIHC= 0.000000E+00 (dihedral angle constraints) +ESS= 0.000000E+00 (disulfide-bridge intrinsic energy) +UCONST= 0.000000E+00 (Constraint energy) +EDFAD= 5.491269-315 (DFA distance energy) +EDFAT= 6.953158-310 (DFA torsion energy) +EDFAN= 6.953158-310 (DFA NCa energy) +EDFAB= 2.650815-317 (DFA Beta energy) +ETOT= -8.619050E+01 (total) +RMS deviation from the reference structure: 3.750 + % of native contacts: 41.667 + % of nonnative contacts: 76.190 + contact order: 0.390 + TM-score with the reference structure: 0.30 + Conformation # 155 read + + + Conformation # 151 sumsl return code 4 + +Virtual-chain energies: + +EVDW= -5.330591E+01 WEIGHT= 1.352790D+00 (SC-SC) +EVDW2= 4.282622E+01 WEIGHT= 1.593040D+00 (SC-p) +EES= -8.267678E+01 WEIGHT= 7.153400D-01 (p-p) +EVDWPP= -1.994737E+01 WEIGHT= 1.137100D-01 (p-p VDW) +ESTR= 0.000000E+00 WEIGHT= 1.000000D+00 (stretching) +EBE= -3.994032E+01 WEIGHT= 1.138730D+00 (bending) +ESC= 3.600043E+01 WEIGHT= 1.625800D-01 (SC local) +ETORS= 9.243882E+00 WEIGHT= 1.985990D+00 (torsional) +ETORSD= -4.562866E-01 WEIGHT= 1.570690D+00 (double torsional) +EHBP= 0.000000E+00 WEIGHT= 1.000000D+00 (SS bridges & dist. cnstr.) +ECORR4= -5.967925E+01 WEIGHT= 4.288700D-01 (multi-body) +ECORR5= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body) +ECORR6= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body) +EELLO= 1.227015E+00 WEIGHT= 1.603600D-01 (electrostatic-local) +ETURN3= 1.780265E+01 WEIGHT= 1.687220D+00 (turns, 3rd order) +ETURN4= -1.050642E+00 WEIGHT= 6.623000D-01 (turns, 4th order) +ETURN6= 0.000000E+00 WEIGHT= 0.000000D+00 (turns, 6th order) +ESCCOR= 0.000000E+00 WEIGHT= 0.000000D+00 (backbone-rotamer corr) +EDIHC= 0.000000E+00 (dihedral angle constraints) +ESS= 0.000000E+00 (disulfide-bridge intrinsic energy) +UCONST= 0.000000E+00 (Constraint energy) +EDFAD= 5.491269-315 (DFA distance energy) +EDFAT= 6.953158-310 (DFA torsion energy) +EDFAN= 6.953158-310 (DFA NCa energy) +EDFAB= 2.650815-317 (DFA Beta energy) +ETOT= -8.334150E+01 (total) +RMS deviation from the reference structure: 4.003 + % of native contacts: 33.333 + % of nonnative contacts: 78.947 + contact order: 0.361 + TM-score with the reference structure: 0.28 + Conformation # 156 read + + + Conformation # 153 sumsl return code 4 + +Virtual-chain energies: + +EVDW= -5.568476E+01 WEIGHT= 1.352790D+00 (SC-SC) +EVDW2= 4.586922E+01 WEIGHT= 1.593040D+00 (SC-p) +EES= -8.771877E+01 WEIGHT= 7.153400D-01 (p-p) +EVDWPP= -2.086863E+01 WEIGHT= 1.137100D-01 (p-p VDW) +ESTR= 0.000000E+00 WEIGHT= 1.000000D+00 (stretching) +EBE= -3.770630E+01 WEIGHT= 1.138730D+00 (bending) +ESC= 4.192691E+01 WEIGHT= 1.625800D-01 (SC local) +ETORS= 8.376770E+00 WEIGHT= 1.985990D+00 (torsional) +ETORSD= -3.042681E-01 WEIGHT= 1.570690D+00 (double torsional) +EHBP= 0.000000E+00 WEIGHT= 1.000000D+00 (SS bridges & dist. cnstr.) +ECORR4= -6.628281E+01 WEIGHT= 4.288700D-01 (multi-body) +ECORR5= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body) +ECORR6= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body) +EELLO= 3.792327E-01 WEIGHT= 1.603600D-01 (electrostatic-local) +ETURN3= 1.739286E+01 WEIGHT= 1.687220D+00 (turns, 3rd order) +ETURN4= -2.555324E+00 WEIGHT= 6.623000D-01 (turns, 4th order) +ETURN6= 0.000000E+00 WEIGHT= 0.000000D+00 (turns, 6th order) +ESCCOR= 0.000000E+00 WEIGHT= 0.000000D+00 (backbone-rotamer corr) +EDIHC= 0.000000E+00 (dihedral angle constraints) +ESS= 0.000000E+00 (disulfide-bridge intrinsic energy) +UCONST= 0.000000E+00 (Constraint energy) +EDFAD= 5.491269-315 (DFA distance energy) +EDFAT= 6.953158-310 (DFA torsion energy) +EDFAN= 6.953158-310 (DFA NCa energy) +EDFAB= 2.650815-317 (DFA Beta energy) +ETOT= -8.805524E+01 (total) +RMS deviation from the reference structure: 4.108 + % of native contacts: 33.333 + % of nonnative contacts: 81.818 + contact order: 0.374 + TM-score with the reference structure: 0.27 + Conformation # 157 read + + + Conformation # 148 sumsl return code 4 + +Virtual-chain energies: + +EVDW= -5.359528E+01 WEIGHT= 1.352790D+00 (SC-SC) +EVDW2= 4.872944E+01 WEIGHT= 1.593040D+00 (SC-p) +EES= -8.716265E+01 WEIGHT= 7.153400D-01 (p-p) +EVDWPP= -3.501202E+01 WEIGHT= 1.137100D-01 (p-p VDW) +ESTR= 0.000000E+00 WEIGHT= 1.000000D+00 (stretching) +EBE= -3.731413E+01 WEIGHT= 1.138730D+00 (bending) +ESC= 4.018802E+01 WEIGHT= 1.625800D-01 (SC local) +ETORS= 7.680232E+00 WEIGHT= 1.985990D+00 (torsional) +ETORSD= -8.194354E-01 WEIGHT= 1.570690D+00 (double torsional) +EHBP= 0.000000E+00 WEIGHT= 1.000000D+00 (SS bridges & dist. cnstr.) +ECORR4= -6.604564E+01 WEIGHT= 4.288700D-01 (multi-body) +ECORR5= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body) +ECORR6= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body) +EELLO= -4.929471E+00 WEIGHT= 1.603600D-01 (electrostatic-local) +ETURN3= 1.525257E+01 WEIGHT= 1.687220D+00 (turns, 3rd order) +ETURN4= -1.007015E+00 WEIGHT= 6.623000D-01 (turns, 4th order) +ETURN6= 0.000000E+00 WEIGHT= 0.000000D+00 (turns, 6th order) +ESCCOR= 0.000000E+00 WEIGHT= 0.000000D+00 (backbone-rotamer corr) +EDIHC= 0.000000E+00 (dihedral angle constraints) +ESS= 0.000000E+00 (disulfide-bridge intrinsic energy) +UCONST= 0.000000E+00 (Constraint energy) +EDFAD= 5.491269-315 (DFA distance energy) +EDFAT= 6.953158-310 (DFA torsion energy) +EDFAN= 6.953158-310 (DFA NCa energy) +EDFAB= 2.650815-317 (DFA Beta energy) +ETOT= -8.724651E+01 (total) +RMS deviation from the reference structure: 3.544 + % of native contacts: 58.333 + % of nonnative contacts: 65.000 + contact order: 0.318 + TM-score with the reference structure: 0.28 + Conformation # 158 read + + + Conformation # 130 sumsl return code 4 + +Virtual-chain energies: + +EVDW= -5.390323E+01 WEIGHT= 1.352790D+00 (SC-SC) +EVDW2= 4.965018E+01 WEIGHT= 1.593040D+00 (SC-p) +EES= -1.013038E+02 WEIGHT= 7.153400D-01 (p-p) +EVDWPP= -1.566271E+01 WEIGHT= 1.137100D-01 (p-p VDW) +ESTR= 0.000000E+00 WEIGHT= 1.000000D+00 (stretching) +EBE= -4.096682E+01 WEIGHT= 1.138730D+00 (bending) +ESC= 4.208016E+01 WEIGHT= 1.625800D-01 (SC local) +ETORS= 1.040712E+01 WEIGHT= 1.985990D+00 (torsional) +ETORSD= -3.597264E-01 WEIGHT= 1.570690D+00 (double torsional) +EHBP= 0.000000E+00 WEIGHT= 1.000000D+00 (SS bridges & dist. cnstr.) +ECORR4= -6.941403E+01 WEIGHT= 4.288700D-01 (multi-body) +ECORR5= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body) +ECORR6= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body) +EELLO= 1.127132E+00 WEIGHT= 1.603600D-01 (electrostatic-local) +ETURN3= 1.979093E+01 WEIGHT= 1.687220D+00 (turns, 3rd order) +ETURN4= -2.397899E+00 WEIGHT= 6.623000D-01 (turns, 4th order) +ETURN6= 0.000000E+00 WEIGHT= 0.000000D+00 (turns, 6th order) +ESCCOR= 0.000000E+00 WEIGHT= 0.000000D+00 (backbone-rotamer corr) +EDIHC= 0.000000E+00 (dihedral angle constraints) +ESS= 0.000000E+00 (disulfide-bridge intrinsic energy) +UCONST= 0.000000E+00 (Constraint energy) +EDFAD= 5.491269-315 (DFA distance energy) +EDFAT= 6.953158-310 (DFA torsion energy) +EDFAN= 6.953158-310 (DFA NCa energy) +EDFAB= 2.650815-317 (DFA Beta energy) +ETOT= -8.556338E+01 (total) +RMS deviation from the reference structure: 4.737 + % of native contacts: 25.000 + % of nonnative contacts: 84.211 + contact order: 0.323 + TM-score with the reference structure: 0.29 + Conformation # 159 read + + + Conformation # 156 sumsl return code 4 + +Virtual-chain energies: + +EVDW= -5.177085E+01 WEIGHT= 1.352790D+00 (SC-SC) +EVDW2= 4.780030E+01 WEIGHT= 1.593040D+00 (SC-p) +EES= -8.842148E+01 WEIGHT= 7.153400D-01 (p-p) +EVDWPP= -2.872680E+01 WEIGHT= 1.137100D-01 (p-p VDW) +ESTR= 0.000000E+00 WEIGHT= 1.000000D+00 (stretching) +EBE= -3.856514E+01 WEIGHT= 1.138730D+00 (bending) +ESC= 5.905370E+01 WEIGHT= 1.625800D-01 (SC local) +ETORS= 7.244463E+00 WEIGHT= 1.985990D+00 (torsional) +ETORSD= -2.026760E+00 WEIGHT= 1.570690D+00 (double torsional) +EHBP= 0.000000E+00 WEIGHT= 1.000000D+00 (SS bridges & dist. cnstr.) +ECORR4= -6.770924E+01 WEIGHT= 4.288700D-01 (multi-body) +ECORR5= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body) +ECORR6= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body) +EELLO= 3.308956E+00 WEIGHT= 1.603600D-01 (electrostatic-local) +ETURN3= 1.675430E+01 WEIGHT= 1.687220D+00 (turns, 3rd order) +ETURN4= -7.432571E-01 WEIGHT= 6.623000D-01 (turns, 4th order) +ETURN6= 0.000000E+00 WEIGHT= 0.000000D+00 (turns, 6th order) +ESCCOR= 0.000000E+00 WEIGHT= 0.000000D+00 (backbone-rotamer corr) +EDIHC= 0.000000E+00 (dihedral angle constraints) +ESS= 0.000000E+00 (disulfide-bridge intrinsic energy) +UCONST= 0.000000E+00 (Constraint energy) +EDFAD= 5.491269-315 (DFA distance energy) +EDFAT= 6.953158-310 (DFA torsion energy) +EDFAN= 6.953158-310 (DFA NCa energy) +EDFAB= 2.650815-317 (DFA Beta energy) +ETOT= -8.424746E+01 (total) +RMS deviation from the reference structure: 5.387 + % of native contacts: 33.333 + % of nonnative contacts: 80.000 + contact order: 0.230 + TM-score with the reference structure: 0.29 + Conformation # 160 read + + + Conformation # 154 sumsl return code 4 + +Virtual-chain energies: + +EVDW= -5.249458E+01 WEIGHT= 1.352790D+00 (SC-SC) +EVDW2= 4.202808E+01 WEIGHT= 1.593040D+00 (SC-p) +EES= -7.768082E+01 WEIGHT= 7.153400D-01 (p-p) +EVDWPP= -2.826384E+01 WEIGHT= 1.137100D-01 (p-p VDW) +ESTR= 0.000000E+00 WEIGHT= 1.000000D+00 (stretching) +EBE= -3.674698E+01 WEIGHT= 1.138730D+00 (bending) +ESC= 2.612357E+01 WEIGHT= 1.625800D-01 (SC local) +ETORS= 7.760077E+00 WEIGHT= 1.985990D+00 (torsional) +ETORSD= -1.921347E+00 WEIGHT= 1.570690D+00 (double torsional) +EHBP= 0.000000E+00 WEIGHT= 1.000000D+00 (SS bridges & dist. cnstr.) +ECORR4= -5.787341E+01 WEIGHT= 4.288700D-01 (multi-body) +ECORR5= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body) +ECORR6= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body) +EELLO= 6.220704E-01 WEIGHT= 1.603600D-01 (electrostatic-local) +ETURN3= 1.592056E+01 WEIGHT= 1.687220D+00 (turns, 3rd order) +ETURN4= 5.023273E-02 WEIGHT= 6.623000D-01 (turns, 4th order) +ETURN6= 0.000000E+00 WEIGHT= 0.000000D+00 (turns, 6th order) +ESCCOR= 0.000000E+00 WEIGHT= 0.000000D+00 (backbone-rotamer corr) +EDIHC= 0.000000E+00 (dihedral angle constraints) +ESS= 0.000000E+00 (disulfide-bridge intrinsic energy) +UCONST= 0.000000E+00 (Constraint energy) +EDFAD= 5.491269-315 (DFA distance energy) +EDFAT= 6.953158-310 (DFA torsion energy) +EDFAN= 6.953158-310 (DFA NCa energy) +EDFAB= 2.650815-317 (DFA Beta energy) +ETOT= -8.587361E+01 (total) +RMS deviation from the reference structure: 4.128 + % of native contacts: 25.000 + % of nonnative contacts: 85.714 + contact order: 0.405 + TM-score with the reference structure: 0.26 + Conformation # 161 read + + + Conformation # 160 sumsl return code 4 + +Virtual-chain energies: + +EVDW= -5.228110E+01 WEIGHT= 1.352790D+00 (SC-SC) +EVDW2= 4.964238E+01 WEIGHT= 1.593040D+00 (SC-p) +EES= -9.320658E+01 WEIGHT= 7.153400D-01 (p-p) +EVDWPP= -2.852559E+01 WEIGHT= 1.137100D-01 (p-p VDW) +ESTR= 0.000000E+00 WEIGHT= 1.000000D+00 (stretching) +EBE= -3.819485E+01 WEIGHT= 1.138730D+00 (bending) +ESC= 4.190529E+01 WEIGHT= 1.625800D-01 (SC local) +ETORS= 8.954317E+00 WEIGHT= 1.985990D+00 (torsional) +ETORSD= -2.031568E+00 WEIGHT= 1.570690D+00 (double torsional) +EHBP= 0.000000E+00 WEIGHT= 1.000000D+00 (SS bridges & dist. cnstr.) +ECORR4= -6.496078E+01 WEIGHT= 4.288700D-01 (multi-body) +ECORR5= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body) +ECORR6= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body) +EELLO= -2.981499E-01 WEIGHT= 1.603600D-01 (electrostatic-local) +ETURN3= 1.625952E+01 WEIGHT= 1.687220D+00 (turns, 3rd order) +ETURN4= 4.057457E-01 WEIGHT= 6.623000D-01 (turns, 4th order) +ETURN6= 0.000000E+00 WEIGHT= 0.000000D+00 (turns, 6th order) +ESCCOR= 0.000000E+00 WEIGHT= 0.000000D+00 (backbone-rotamer corr) +EDIHC= 0.000000E+00 (dihedral angle constraints) +ESS= 0.000000E+00 (disulfide-bridge intrinsic energy) +UCONST= 0.000000E+00 (Constraint energy) +EDFAD= 5.491269-315 (DFA distance energy) +EDFAT= 6.953158-310 (DFA torsion energy) +EDFAN= 6.953158-310 (DFA NCa energy) +EDFAB= 2.650815-317 (DFA Beta energy) +ETOT= -8.385496E+01 (total) +RMS deviation from the reference structure: 4.542 + % of native contacts: 41.667 + % of nonnative contacts: 76.190 + contact order: 0.294 + TM-score with the reference structure: 0.28 + Conformation # 162 read + + + Conformation # 155 sumsl return code 4 + +Virtual-chain energies: + +EVDW= -5.102233E+01 WEIGHT= 1.352790D+00 (SC-SC) +EVDW2= 5.347376E+01 WEIGHT= 1.593040D+00 (SC-p) +EES= -1.144757E+02 WEIGHT= 7.153400D-01 (p-p) +EVDWPP= -2.469975E+01 WEIGHT= 1.137100D-01 (p-p VDW) +ESTR= 0.000000E+00 WEIGHT= 1.000000D+00 (stretching) +EBE= -4.098015E+01 WEIGHT= 1.138730D+00 (bending) +ESC= 3.814724E+01 WEIGHT= 1.625800D-01 (SC local) +ETORS= 1.388686E+01 WEIGHT= 1.985990D+00 (torsional) +ETORSD= 1.982969E+00 WEIGHT= 1.570690D+00 (double torsional) +EHBP= 0.000000E+00 WEIGHT= 1.000000D+00 (SS bridges & dist. cnstr.) +ECORR4= -8.096849E+01 WEIGHT= 4.288700D-01 (multi-body) +ECORR5= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body) +ECORR6= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body) +EELLO= -7.687537E+00 WEIGHT= 1.603600D-01 (electrostatic-local) +ETURN3= 1.882570E+01 WEIGHT= 1.687220D+00 (turns, 3rd order) +ETURN4= -1.959563E+00 WEIGHT= 6.623000D-01 (turns, 4th order) +ETURN6= 0.000000E+00 WEIGHT= 0.000000D+00 (turns, 6th order) +ESCCOR= 0.000000E+00 WEIGHT= 0.000000D+00 (backbone-rotamer corr) +EDIHC= 0.000000E+00 (dihedral angle constraints) +ESS= 0.000000E+00 (disulfide-bridge intrinsic energy) +UCONST= 0.000000E+00 (Constraint energy) +EDFAD= 5.491269-315 (DFA distance energy) +EDFAT= 6.953158-310 (DFA torsion energy) +EDFAN= 6.953158-310 (DFA NCa energy) +EDFAB= 2.650815-317 (DFA Beta energy) +ETOT= -8.379634E+01 (total) +RMS deviation from the reference structure: 3.185 + % of native contacts: 33.333 + % of nonnative contacts: 80.000 + contact order: 0.291 + TM-score with the reference structure: 0.39 + Conformation # 163 read + + + Conformation # 161 sumsl return code 4 + +Virtual-chain energies: + +EVDW= -5.365628E+01 WEIGHT= 1.352790D+00 (SC-SC) +EVDW2= 4.783546E+01 WEIGHT= 1.593040D+00 (SC-p) +EES= -8.158648E+01 WEIGHT= 7.153400D-01 (p-p) +EVDWPP= -4.130713E+01 WEIGHT= 1.137100D-01 (p-p VDW) +ESTR= 0.000000E+00 WEIGHT= 1.000000D+00 (stretching) +EBE= -3.800202E+01 WEIGHT= 1.138730D+00 (bending) +ESC= 3.046997E+01 WEIGHT= 1.625800D-01 (SC local) +ETORS= 7.342562E+00 WEIGHT= 1.985990D+00 (torsional) +ETORSD= 8.754059E-02 WEIGHT= 1.570690D+00 (double torsional) +EHBP= 0.000000E+00 WEIGHT= 1.000000D+00 (SS bridges & dist. cnstr.) +ECORR4= -6.094880E+01 WEIGHT= 4.288700D-01 (multi-body) +ECORR5= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body) +ECORR6= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body) +EELLO= -5.988711E+00 WEIGHT= 1.603600D-01 (electrostatic-local) +ETURN3= 1.313683E+01 WEIGHT= 1.687220D+00 (turns, 3rd order) +ETURN4= -1.659103E+00 WEIGHT= 6.623000D-01 (turns, 4th order) +ETURN6= 0.000000E+00 WEIGHT= 0.000000D+00 (turns, 6th order) +ESCCOR= 0.000000E+00 WEIGHT= 0.000000D+00 (backbone-rotamer corr) +EDIHC= 0.000000E+00 (dihedral angle constraints) +ESS= 0.000000E+00 (disulfide-bridge intrinsic energy) +UCONST= 0.000000E+00 (Constraint energy) +EDFAD= 5.491269-315 (DFA distance energy) +EDFAT= 6.953158-310 (DFA torsion energy) +EDFAN= 6.953158-310 (DFA NCa energy) +EDFAB= 2.650815-317 (DFA Beta energy) +ETOT= -8.907503E+01 (total) +RMS deviation from the reference structure: 3.731 + % of native contacts: 41.667 + % of nonnative contacts: 78.261 + contact order: 0.399 + TM-score with the reference structure: 0.29 + Conformation # 164 read + + + Conformation # 162 sumsl return code 4 + +Virtual-chain energies: + +EVDW= -5.297196E+01 WEIGHT= 1.352790D+00 (SC-SC) +EVDW2= 4.274867E+01 WEIGHT= 1.593040D+00 (SC-p) +EES= -8.752295E+01 WEIGHT= 7.153400D-01 (p-p) +EVDWPP= -2.449538E+01 WEIGHT= 1.137100D-01 (p-p VDW) +ESTR= 0.000000E+00 WEIGHT= 1.000000D+00 (stretching) +EBE= -3.874635E+01 WEIGHT= 1.138730D+00 (bending) +ESC= 3.442256E+01 WEIGHT= 1.625800D-01 (SC local) +ETORS= 9.875904E+00 WEIGHT= 1.985990D+00 (torsional) +ETORSD= -1.381948E+00 WEIGHT= 1.570690D+00 (double torsional) +EHBP= 0.000000E+00 WEIGHT= 1.000000D+00 (SS bridges & dist. cnstr.) +ECORR4= -6.481657E+01 WEIGHT= 4.288700D-01 (multi-body) +ECORR5= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body) +ECORR6= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body) +EELLO= -2.104344E+00 WEIGHT= 1.603600D-01 (electrostatic-local) +ETURN3= 1.906658E+01 WEIGHT= 1.687220D+00 (turns, 3rd order) +ETURN4= -1.688883E+00 WEIGHT= 6.623000D-01 (turns, 4th order) +ETURN6= 0.000000E+00 WEIGHT= 0.000000D+00 (turns, 6th order) +ESCCOR= 0.000000E+00 WEIGHT= 0.000000D+00 (backbone-rotamer corr) +EDIHC= 0.000000E+00 (dihedral angle constraints) +ESS= 0.000000E+00 (disulfide-bridge intrinsic energy) +UCONST= 0.000000E+00 (Constraint energy) +EDFAD= 5.491269-315 (DFA distance energy) +EDFAT= 6.953158-310 (DFA torsion energy) +EDFAN= 6.953158-310 (DFA NCa energy) +EDFAB= 2.650815-317 (DFA Beta energy) +ETOT= -8.712038E+01 (total) +RMS deviation from the reference structure: 3.306 + % of native contacts: 41.667 + % of nonnative contacts: 76.190 + contact order: 0.333 + TM-score with the reference structure: 0.30 + Conformation # 165 read + + + Conformation # 158 sumsl return code 4 + +Virtual-chain energies: + +EVDW= -5.595937E+01 WEIGHT= 1.352790D+00 (SC-SC) +EVDW2= 4.650320E+01 WEIGHT= 1.593040D+00 (SC-p) +EES= -8.998371E+01 WEIGHT= 7.153400D-01 (p-p) +EVDWPP= -2.278375E+01 WEIGHT= 1.137100D-01 (p-p VDW) +ESTR= 0.000000E+00 WEIGHT= 1.000000D+00 (stretching) +EBE= -3.883679E+01 WEIGHT= 1.138730D+00 (bending) +ESC= 4.943238E+01 WEIGHT= 1.625800D-01 (SC local) +ETORS= 1.043145E+01 WEIGHT= 1.985990D+00 (torsional) +ETORSD= -1.731760E+00 WEIGHT= 1.570690D+00 (double torsional) +EHBP= 0.000000E+00 WEIGHT= 1.000000D+00 (SS bridges & dist. cnstr.) +ECORR4= -6.305491E+01 WEIGHT= 4.288700D-01 (multi-body) +ECORR5= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body) +ECORR6= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body) +EELLO= 1.827503E+00 WEIGHT= 1.603600D-01 (electrostatic-local) +ETURN3= 1.947147E+01 WEIGHT= 1.687220D+00 (turns, 3rd order) +ETURN4= -5.488167E+00 WEIGHT= 6.623000D-01 (turns, 4th order) +ETURN6= 0.000000E+00 WEIGHT= 0.000000D+00 (turns, 6th order) +ESCCOR= 0.000000E+00 WEIGHT= 0.000000D+00 (backbone-rotamer corr) +EDIHC= 0.000000E+00 (dihedral angle constraints) +ESS= 0.000000E+00 (disulfide-bridge intrinsic energy) +UCONST= 0.000000E+00 (Constraint energy) +EDFAD= 5.491269-315 (DFA distance energy) +EDFAT= 6.953158-310 (DFA torsion energy) +EDFAN= 6.953158-310 (DFA NCa energy) +EDFAB= 2.650815-317 (DFA Beta energy) +ETOT= -8.430218E+01 (total) +RMS deviation from the reference structure: 7.144 + % of native contacts: 16.667 + % of nonnative contacts: 90.000 + contact order: 0.270 + TM-score with the reference structure: 0.30 + Conformation # 166 read + + + Conformation # 165 sumsl return code 4 + +Virtual-chain energies: + +EVDW= -5.153044E+01 WEIGHT= 1.352790D+00 (SC-SC) +EVDW2= 3.612537E+01 WEIGHT= 1.593040D+00 (SC-p) +EES= -6.648725E+01 WEIGHT= 7.153400D-01 (p-p) +EVDWPP= -2.668271E+01 WEIGHT= 1.137100D-01 (p-p VDW) +ESTR= 0.000000E+00 WEIGHT= 1.000000D+00 (stretching) +EBE= -3.891116E+01 WEIGHT= 1.138730D+00 (bending) +ESC= 3.558682E+01 WEIGHT= 1.625800D-01 (SC local) +ETORS= 8.961967E+00 WEIGHT= 1.985990D+00 (torsional) +ETORSD= -2.282324E+00 WEIGHT= 1.570690D+00 (double torsional) +EHBP= 0.000000E+00 WEIGHT= 1.000000D+00 (SS bridges & dist. cnstr.) +ECORR4= -4.938073E+01 WEIGHT= 4.288700D-01 (multi-body) +ECORR5= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body) +ECORR6= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body) +EELLO= 4.734051E-01 WEIGHT= 1.603600D-01 (electrostatic-local) +ETURN3= 1.432445E+01 WEIGHT= 1.687220D+00 (turns, 3rd order) +ETURN4= 3.015546E-01 WEIGHT= 6.623000D-01 (turns, 4th order) +ETURN6= 0.000000E+00 WEIGHT= 0.000000D+00 (turns, 6th order) +ESCCOR= 0.000000E+00 WEIGHT= 0.000000D+00 (backbone-rotamer corr) +EDIHC= 0.000000E+00 (dihedral angle constraints) +ESS= 0.000000E+00 (disulfide-bridge intrinsic energy) +UCONST= 0.000000E+00 (Constraint energy) +EDFAD= 5.491269-315 (DFA distance energy) +EDFAT= 6.953158-310 (DFA torsion energy) +EDFAN= 6.953158-310 (DFA NCa energy) +EDFAB= 2.650815-317 (DFA Beta energy) +ETOT= -8.379960E+01 (total) +RMS deviation from the reference structure: 5.136 + % of native contacts: 33.333 + % of nonnative contacts: 78.947 + contact order: 0.361 + TM-score with the reference structure: 0.29 + Conformation # 167 read + + + Conformation # 157 sumsl return code 4 + +Virtual-chain energies: + +EVDW= -5.147873E+01 WEIGHT= 1.352790D+00 (SC-SC) +EVDW2= 4.633755E+01 WEIGHT= 1.593040D+00 (SC-p) +EES= -9.433905E+01 WEIGHT= 7.153400D-01 (p-p) +EVDWPP= -2.368798E+01 WEIGHT= 1.137100D-01 (p-p VDW) +ESTR= 0.000000E+00 WEIGHT= 1.000000D+00 (stretching) +EBE= -4.131301E+01 WEIGHT= 1.138730D+00 (bending) +ESC= 3.049782E+01 WEIGHT= 1.625800D-01 (SC local) +ETORS= 1.189233E+01 WEIGHT= 1.985990D+00 (torsional) +ETORSD= -1.181067E+00 WEIGHT= 1.570690D+00 (double torsional) +EHBP= 0.000000E+00 WEIGHT= 1.000000D+00 (SS bridges & dist. cnstr.) +ECORR4= -6.699182E+01 WEIGHT= 4.288700D-01 (multi-body) +ECORR5= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body) +ECORR6= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body) +EELLO= -2.127157E+00 WEIGHT= 1.603600D-01 (electrostatic-local) +ETURN3= 1.639522E+01 WEIGHT= 1.687220D+00 (turns, 3rd order) +ETURN4= 1.167567E+00 WEIGHT= 6.623000D-01 (turns, 4th order) +ETURN6= 0.000000E+00 WEIGHT= 0.000000D+00 (turns, 6th order) +ESCCOR= 0.000000E+00 WEIGHT= 0.000000D+00 (backbone-rotamer corr) +EDIHC= 0.000000E+00 (dihedral angle constraints) +ESS= 0.000000E+00 (disulfide-bridge intrinsic energy) +UCONST= 0.000000E+00 (Constraint energy) +EDFAD= 5.491269-315 (DFA distance energy) +EDFAT= 6.953158-310 (DFA torsion energy) +EDFAN= 6.953158-310 (DFA NCa energy) +EDFAB= 2.650815-317 (DFA Beta energy) +ETOT= -8.695974E+01 (total) +RMS deviation from the reference structure: 3.789 + % of native contacts: 33.333 + % of nonnative contacts: 80.000 + contact order: 0.393 + TM-score with the reference structure: 0.26 + Conformation # 168 read + + + Conformation # 163 sumsl return code 4 + +Virtual-chain energies: + +EVDW= -5.413799E+01 WEIGHT= 1.352790D+00 (SC-SC) +EVDW2= 4.954929E+01 WEIGHT= 1.593040D+00 (SC-p) +EES= -9.679368E+01 WEIGHT= 7.153400D-01 (p-p) +EVDWPP= -2.856542E+01 WEIGHT= 1.137100D-01 (p-p VDW) +ESTR= 0.000000E+00 WEIGHT= 1.000000D+00 (stretching) +EBE= -4.094072E+01 WEIGHT= 1.138730D+00 (bending) +ESC= 2.949066E+01 WEIGHT= 1.625800D-01 (SC local) +ETORS= 1.011359E+01 WEIGHT= 1.985990D+00 (torsional) +ETORSD= 1.502252E+00 WEIGHT= 1.570690D+00 (double torsional) +EHBP= 0.000000E+00 WEIGHT= 1.000000D+00 (SS bridges & dist. cnstr.) +ECORR4= -6.710760E+01 WEIGHT= 4.288700D-01 (multi-body) +ECORR5= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body) +ECORR6= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body) +EELLO= -4.606871E+00 WEIGHT= 1.603600D-01 (electrostatic-local) +ETURN3= 1.617372E+01 WEIGHT= 1.687220D+00 (turns, 3rd order) +ETURN4= 7.685175E-01 WEIGHT= 6.623000D-01 (turns, 4th order) +ETURN6= 0.000000E+00 WEIGHT= 0.000000D+00 (turns, 6th order) +ESCCOR= 0.000000E+00 WEIGHT= 0.000000D+00 (backbone-rotamer corr) +EDIHC= 0.000000E+00 (dihedral angle constraints) +ESS= 0.000000E+00 (disulfide-bridge intrinsic energy) +UCONST= 0.000000E+00 (Constraint energy) +EDFAD= 5.491269-315 (DFA distance energy) +EDFAT= 6.953158-310 (DFA torsion energy) +EDFAN= 6.953158-310 (DFA NCa energy) +EDFAB= 2.650815-317 (DFA Beta energy) +ETOT= -8.789425E+01 (total) +RMS deviation from the reference structure: 4.237 + % of native contacts: 33.333 + % of nonnative contacts: 81.818 + contact order: 0.382 + TM-score with the reference structure: 0.22 + Conformation # 169 read + + + Conformation # 167 sumsl return code 4 + +Virtual-chain energies: + +EVDW= -5.233602E+01 WEIGHT= 1.352790D+00 (SC-SC) +EVDW2= 4.579518E+01 WEIGHT= 1.593040D+00 (SC-p) +EES= -8.564827E+01 WEIGHT= 7.153400D-01 (p-p) +EVDWPP= -3.120805E+01 WEIGHT= 1.137100D-01 (p-p VDW) +ESTR= 0.000000E+00 WEIGHT= 1.000000D+00 (stretching) +EBE= -3.894785E+01 WEIGHT= 1.138730D+00 (bending) +ESC= 4.277435E+01 WEIGHT= 1.625800D-01 (SC local) +ETORS= 7.104415E+00 WEIGHT= 1.985990D+00 (torsional) +ETORSD= 6.917291E-01 WEIGHT= 1.570690D+00 (double torsional) +EHBP= 0.000000E+00 WEIGHT= 1.000000D+00 (SS bridges & dist. cnstr.) +ECORR4= -6.483157E+01 WEIGHT= 4.288700D-01 (multi-body) +ECORR5= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body) +ECORR6= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body) +EELLO= -3.661002E+00 WEIGHT= 1.603600D-01 (electrostatic-local) +ETURN3= 1.583285E+01 WEIGHT= 1.687220D+00 (turns, 3rd order) +ETURN4= -2.424840E+00 WEIGHT= 6.623000D-01 (turns, 4th order) +ETURN6= 0.000000E+00 WEIGHT= 0.000000D+00 (turns, 6th order) +ESCCOR= 0.000000E+00 WEIGHT= 0.000000D+00 (backbone-rotamer corr) +EDIHC= 0.000000E+00 (dihedral angle constraints) +ESS= 0.000000E+00 (disulfide-bridge intrinsic energy) +UCONST= 0.000000E+00 (Constraint energy) +EDFAD= 5.491269-315 (DFA distance energy) +EDFAT= 6.953158-310 (DFA torsion energy) +EDFAN= 6.953158-310 (DFA NCa energy) +EDFAB= 2.650815-317 (DFA Beta energy) +ETOT= -8.814729E+01 (total) +RMS deviation from the reference structure: 2.874 + % of native contacts: 50.000 + % of nonnative contacts: 68.421 + contact order: 0.280 + TM-score with the reference structure: 0.30 + Conformation # 170 read + + + Conformation # 164 sumsl return code 4 + +Virtual-chain energies: + +EVDW= -5.312852E+01 WEIGHT= 1.352790D+00 (SC-SC) +EVDW2= 4.463897E+01 WEIGHT= 1.593040D+00 (SC-p) +EES= -8.414070E+01 WEIGHT= 7.153400D-01 (p-p) +EVDWPP= -3.016515E+01 WEIGHT= 1.137100D-01 (p-p VDW) +ESTR= 0.000000E+00 WEIGHT= 1.000000D+00 (stretching) +EBE= -3.651662E+01 WEIGHT= 1.138730D+00 (bending) +ESC= 2.544658E+01 WEIGHT= 1.625800D-01 (SC local) +ETORS= 8.549284E+00 WEIGHT= 1.985990D+00 (torsional) +ETORSD= -1.278552E+00 WEIGHT= 1.570690D+00 (double torsional) +EHBP= 0.000000E+00 WEIGHT= 1.000000D+00 (SS bridges & dist. cnstr.) +ECORR4= -6.113391E+01 WEIGHT= 4.288700D-01 (multi-body) +ECORR5= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body) +ECORR6= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body) +EELLO= 4.911480E+00 WEIGHT= 1.603600D-01 (electrostatic-local) +ETURN3= 1.596057E+01 WEIGHT= 1.687220D+00 (turns, 3rd order) +ETURN4= 2.485834E+00 WEIGHT= 6.623000D-01 (turns, 4th order) +ETURN6= 0.000000E+00 WEIGHT= 0.000000D+00 (turns, 6th order) +ESCCOR= 0.000000E+00 WEIGHT= 0.000000D+00 (backbone-rotamer corr) +EDIHC= 0.000000E+00 (dihedral angle constraints) +ESS= 0.000000E+00 (disulfide-bridge intrinsic energy) +UCONST= 0.000000E+00 (Constraint energy) +EDFAD= 5.491269-315 (DFA distance energy) +EDFAT= 6.953158-310 (DFA torsion energy) +EDFAN= 6.953158-310 (DFA NCa energy) +EDFAB= 2.650815-317 (DFA Beta energy) +ETOT= -8.370977E+01 (total) +RMS deviation from the reference structure: 2.832 + % of native contacts: 66.667 + % of nonnative contacts: 57.895 + contact order: 0.344 + TM-score with the reference structure: 0.28 + Conformation # 171 read + + + Conformation # 169 sumsl return code 4 + +Virtual-chain energies: + +EVDW= -5.590786E+01 WEIGHT= 1.352790D+00 (SC-SC) +EVDW2= 5.996003E+01 WEIGHT= 1.593040D+00 (SC-p) +EES= -1.141322E+02 WEIGHT= 7.153400D-01 (p-p) +EVDWPP= -2.105772E+01 WEIGHT= 1.137100D-01 (p-p VDW) +ESTR= 0.000000E+00 WEIGHT= 1.000000D+00 (stretching) +EBE= -3.856141E+01 WEIGHT= 1.138730D+00 (bending) +ESC= 3.525815E+01 WEIGHT= 1.625800D-01 (SC local) +ETORS= 1.175111E+01 WEIGHT= 1.985990D+00 (torsional) +ETORSD= 3.341056E-01 WEIGHT= 1.570690D+00 (double torsional) +EHBP= 0.000000E+00 WEIGHT= 1.000000D+00 (SS bridges & dist. cnstr.) +ECORR4= -8.130017E+01 WEIGHT= 4.288700D-01 (multi-body) +ECORR5= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body) +ECORR6= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body) +EELLO= -1.773832E+00 WEIGHT= 1.603600D-01 (electrostatic-local) +ETURN3= 1.723996E+01 WEIGHT= 1.687220D+00 (turns, 3rd order) +ETURN4= -2.174814E-01 WEIGHT= 6.623000D-01 (turns, 4th order) +ETURN6= 0.000000E+00 WEIGHT= 0.000000D+00 (turns, 6th order) +ESCCOR= 0.000000E+00 WEIGHT= 0.000000D+00 (backbone-rotamer corr) +EDIHC= 0.000000E+00 (dihedral angle constraints) +ESS= 0.000000E+00 (disulfide-bridge intrinsic energy) +UCONST= 0.000000E+00 (Constraint energy) +EDFAD= 5.491269-315 (DFA distance energy) +EDFAT= 6.953158-310 (DFA torsion energy) +EDFAN= 6.953158-310 (DFA NCa energy) +EDFAB= 2.650815-317 (DFA Beta energy) +ETOT= -8.467517E+01 (total) +RMS deviation from the reference structure: 4.091 + % of native contacts: 33.333 + % of nonnative contacts: 84.615 + contact order: 0.348 + TM-score with the reference structure: 0.29 + Conformation # 172 read + + + Conformation # 171 sumsl return code 4 + +Virtual-chain energies: + +EVDW= -5.217333E+01 WEIGHT= 1.352790D+00 (SC-SC) +EVDW2= 5.316804E+01 WEIGHT= 1.593040D+00 (SC-p) +EES= -1.069891E+02 WEIGHT= 7.153400D-01 (p-p) +EVDWPP= -2.892219E+01 WEIGHT= 1.137100D-01 (p-p VDW) +ESTR= 0.000000E+00 WEIGHT= 1.000000D+00 (stretching) +EBE= -3.772521E+01 WEIGHT= 1.138730D+00 (bending) +ESC= 4.511985E+01 WEIGHT= 1.625800D-01 (SC local) +ETORS= 1.107330E+01 WEIGHT= 1.985990D+00 (torsional) +ETORSD= -1.383298E+00 WEIGHT= 1.570690D+00 (double torsional) +EHBP= 0.000000E+00 WEIGHT= 1.000000D+00 (SS bridges & dist. cnstr.) +ECORR4= -8.063446E+01 WEIGHT= 4.288700D-01 (multi-body) +ECORR5= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body) +ECORR6= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body) +EELLO= -6.405735E+00 WEIGHT= 1.603600D-01 (electrostatic-local) +ETURN3= 1.858560E+01 WEIGHT= 1.687220D+00 (turns, 3rd order) +ETURN4= 4.244372E-01 WEIGHT= 6.623000D-01 (turns, 4th order) +ETURN6= 0.000000E+00 WEIGHT= 0.000000D+00 (turns, 6th order) +ESCCOR= 0.000000E+00 WEIGHT= 0.000000D+00 (backbone-rotamer corr) +EDIHC= 0.000000E+00 (dihedral angle constraints) +ESS= 0.000000E+00 (disulfide-bridge intrinsic energy) +UCONST= 0.000000E+00 (Constraint energy) +EDFAD= 5.491269-315 (DFA distance energy) +EDFAT= 6.953158-310 (DFA torsion energy) +EDFAN= 6.953158-310 (DFA NCa energy) +EDFAB= 2.650815-317 (DFA Beta energy) +ETOT= -8.547741E+01 (total) +RMS deviation from the reference structure: 3.320 + % of native contacts: 16.667 + % of nonnative contacts: 88.235 + contact order: 0.214 + TM-score with the reference structure: 0.30 + Conformation # 173 read + + + Conformation # 168 sumsl return code 4 + +Virtual-chain energies: + +EVDW= -5.458792E+01 WEIGHT= 1.352790D+00 (SC-SC) +EVDW2= 4.766625E+01 WEIGHT= 1.593040D+00 (SC-p) +EES= -9.173334E+01 WEIGHT= 7.153400D-01 (p-p) +EVDWPP= -2.962082E+01 WEIGHT= 1.137100D-01 (p-p VDW) +ESTR= 0.000000E+00 WEIGHT= 1.000000D+00 (stretching) +EBE= -3.686264E+01 WEIGHT= 1.138730D+00 (bending) +ESC= 4.840521E+01 WEIGHT= 1.625800D-01 (SC local) +ETORS= 7.603433E+00 WEIGHT= 1.985990D+00 (torsional) +ETORSD= 1.583762E-01 WEIGHT= 1.570690D+00 (double torsional) +EHBP= 0.000000E+00 WEIGHT= 1.000000D+00 (SS bridges & dist. cnstr.) +ECORR4= -6.969779E+01 WEIGHT= 4.288700D-01 (multi-body) +ECORR5= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body) +ECORR6= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body) +EELLO= -5.235385E+00 WEIGHT= 1.603600D-01 (electrostatic-local) +ETURN3= 1.642394E+01 WEIGHT= 1.687220D+00 (turns, 3rd order) +ETURN4= -1.159022E+00 WEIGHT= 6.623000D-01 (turns, 4th order) +ETURN6= 0.000000E+00 WEIGHT= 0.000000D+00 (turns, 6th order) +ESCCOR= 0.000000E+00 WEIGHT= 0.000000D+00 (backbone-rotamer corr) +EDIHC= 0.000000E+00 (dihedral angle constraints) +ESS= 0.000000E+00 (disulfide-bridge intrinsic energy) +UCONST= 0.000000E+00 (Constraint energy) +EDFAD= 5.491269-315 (DFA distance energy) +EDFAT= 6.953158-310 (DFA torsion energy) +EDFAN= 6.953158-310 (DFA NCa energy) +EDFAB= 2.650815-317 (DFA Beta energy) +ETOT= -8.944589E+01 (total) +RMS deviation from the reference structure: 3.337 + % of native contacts: 66.667 + % of nonnative contacts: 65.217 + contact order: 0.292 + TM-score with the reference structure: 0.32 + Conformation # 174 read + + + Conformation # 172 sumsl return code 4 + +Virtual-chain energies: + +EVDW= -4.839551E+01 WEIGHT= 1.352790D+00 (SC-SC) +EVDW2= 4.889262E+01 WEIGHT= 1.593040D+00 (SC-p) +EES= -9.598909E+01 WEIGHT= 7.153400D-01 (p-p) +EVDWPP= -2.184953E+01 WEIGHT= 1.137100D-01 (p-p VDW) +ESTR= 0.000000E+00 WEIGHT= 1.000000D+00 (stretching) +EBE= -4.052573E+01 WEIGHT= 1.138730D+00 (bending) +ESC= 3.004370E+01 WEIGHT= 1.625800D-01 (SC local) +ETORS= 8.767030E+00 WEIGHT= 1.985990D+00 (torsional) +ETORSD= -1.798934E+00 WEIGHT= 1.570690D+00 (double torsional) +EHBP= 0.000000E+00 WEIGHT= 1.000000D+00 (SS bridges & dist. cnstr.) +ECORR4= -6.964763E+01 WEIGHT= 4.288700D-01 (multi-body) +ECORR5= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body) +ECORR6= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body) +EELLO= -3.281299E+00 WEIGHT= 1.603600D-01 (electrostatic-local) +ETURN3= 1.899748E+01 WEIGHT= 1.687220D+00 (turns, 3rd order) +ETURN4= -1.694982E+00 WEIGHT= 6.623000D-01 (turns, 4th order) +ETURN6= 0.000000E+00 WEIGHT= 0.000000D+00 (turns, 6th order) +ESCCOR= 0.000000E+00 WEIGHT= 0.000000D+00 (backbone-rotamer corr) +EDIHC= 0.000000E+00 (dihedral angle constraints) +ESS= 0.000000E+00 (disulfide-bridge intrinsic energy) +UCONST= 0.000000E+00 (Constraint energy) +EDFAD= 5.491269-315 (DFA distance energy) +EDFAT= 6.953158-310 (DFA torsion energy) +EDFAN= 6.953158-310 (DFA NCa energy) +EDFAB= 2.650815-317 (DFA Beta energy) +ETOT= -8.487372E+01 (total) +RMS deviation from the reference structure: 4.975 + % of native contacts: 25.000 + % of nonnative contacts: 84.211 + contact order: 0.347 + TM-score with the reference structure: 0.29 + Conformation # 175 read + + + Conformation # 173 sumsl return code 4 + +Virtual-chain energies: + +EVDW= -5.015018E+01 WEIGHT= 1.352790D+00 (SC-SC) +EVDW2= 5.113216E+01 WEIGHT= 1.593040D+00 (SC-p) +EES= -9.474292E+01 WEIGHT= 7.153400D-01 (p-p) +EVDWPP= -2.682747E+01 WEIGHT= 1.137100D-01 (p-p VDW) +ESTR= 0.000000E+00 WEIGHT= 1.000000D+00 (stretching) +EBE= -4.151050E+01 WEIGHT= 1.138730D+00 (bending) +ESC= 3.973033E+01 WEIGHT= 1.625800D-01 (SC local) +ETORS= 1.190882E+01 WEIGHT= 1.985990D+00 (torsional) +ETORSD= -2.688992E+00 WEIGHT= 1.570690D+00 (double torsional) +EHBP= 0.000000E+00 WEIGHT= 1.000000D+00 (SS bridges & dist. cnstr.) +ECORR4= -7.420177E+01 WEIGHT= 4.288700D-01 (multi-body) +ECORR5= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body) +ECORR6= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body) +EELLO= 1.938192E+00 WEIGHT= 1.603600D-01 (electrostatic-local) +ETURN3= 1.491486E+01 WEIGHT= 1.687220D+00 (turns, 3rd order) +ETURN4= 2.365172E+00 WEIGHT= 6.623000D-01 (turns, 4th order) +ETURN6= 0.000000E+00 WEIGHT= 0.000000D+00 (turns, 6th order) +ESCCOR= 0.000000E+00 WEIGHT= 0.000000D+00 (backbone-rotamer corr) +EDIHC= 0.000000E+00 (dihedral angle constraints) +ESS= 0.000000E+00 (disulfide-bridge intrinsic energy) +UCONST= 0.000000E+00 (Constraint energy) +EDFAD= 5.491269-315 (DFA distance energy) +EDFAT= 6.953158-310 (DFA torsion energy) +EDFAN= 6.953158-310 (DFA NCa energy) +EDFAB= 2.650815-317 (DFA Beta energy) +ETOT= -8.337470E+01 (total) +RMS deviation from the reference structure: 3.069 + % of native contacts: 66.667 + % of nonnative contacts: 60.000 + contact order: 0.389 + TM-score with the reference structure: 0.26 + Conformation # 176 read + + + Conformation # 175 sumsl return code 4 + +Virtual-chain energies: + +EVDW= -5.137608E+01 WEIGHT= 1.352790D+00 (SC-SC) +EVDW2= 3.959961E+01 WEIGHT= 1.593040D+00 (SC-p) +EES= -6.740231E+01 WEIGHT= 7.153400D-01 (p-p) +EVDWPP= -2.806596E+01 WEIGHT= 1.137100D-01 (p-p VDW) +ESTR= 0.000000E+00 WEIGHT= 1.000000D+00 (stretching) +EBE= -3.958164E+01 WEIGHT= 1.138730D+00 (bending) +ESC= 3.555227E+01 WEIGHT= 1.625800D-01 (SC local) +ETORS= 8.263582E+00 WEIGHT= 1.985990D+00 (torsional) +ETORSD= -2.735830E+00 WEIGHT= 1.570690D+00 (double torsional) +EHBP= 0.000000E+00 WEIGHT= 1.000000D+00 (SS bridges & dist. cnstr.) +ECORR4= -5.165243E+01 WEIGHT= 4.288700D-01 (multi-body) +ECORR5= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body) +ECORR6= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body) +EELLO= 5.493571E-02 WEIGHT= 1.603600D-01 (electrostatic-local) +ETURN3= 1.400653E+01 WEIGHT= 1.687220D+00 (turns, 3rd order) +ETURN4= -1.689443E-01 WEIGHT= 6.623000D-01 (turns, 4th order) +ETURN6= 0.000000E+00 WEIGHT= 0.000000D+00 (turns, 6th order) +ESCCOR= 0.000000E+00 WEIGHT= 0.000000D+00 (backbone-rotamer corr) +EDIHC= 0.000000E+00 (dihedral angle constraints) +ESS= 0.000000E+00 (disulfide-bridge intrinsic energy) +UCONST= 0.000000E+00 (Constraint energy) +EDFAD= 5.491269-315 (DFA distance energy) +EDFAT= 6.953158-310 (DFA torsion energy) +EDFAN= 6.953158-310 (DFA NCa energy) +EDFAB= 2.650815-317 (DFA Beta energy) +ETOT= -8.362585E+01 (total) +RMS deviation from the reference structure: 5.668 + % of native contacts: 33.333 + % of nonnative contacts: 78.947 + contact order: 0.304 + TM-score with the reference structure: 0.33 + Conformation # 177 read + + + Conformation # 176 sumsl return code 4 + +Virtual-chain energies: + +EVDW= -5.116541E+01 WEIGHT= 1.352790D+00 (SC-SC) +EVDW2= 3.886986E+01 WEIGHT= 1.593040D+00 (SC-p) +EES= -7.097200E+01 WEIGHT= 7.153400D-01 (p-p) +EVDWPP= -2.484384E+01 WEIGHT= 1.137100D-01 (p-p VDW) +ESTR= 0.000000E+00 WEIGHT= 1.000000D+00 (stretching) +EBE= -3.784236E+01 WEIGHT= 1.138730D+00 (bending) +ESC= 2.527404E+01 WEIGHT= 1.625800D-01 (SC local) +ETORS= 7.281871E+00 WEIGHT= 1.985990D+00 (torsional) +ETORSD= -1.724432E+00 WEIGHT= 1.570690D+00 (double torsional) +EHBP= 0.000000E+00 WEIGHT= 1.000000D+00 (SS bridges & dist. cnstr.) +ECORR4= -5.411084E+01 WEIGHT= 4.288700D-01 (multi-body) +ECORR5= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body) +ECORR6= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body) +EELLO= -9.192385E-01 WEIGHT= 1.603600D-01 (electrostatic-local) +ETURN3= 1.497576E+01 WEIGHT= 1.687220D+00 (turns, 3rd order) +ETURN4= -3.383636E-01 WEIGHT= 6.623000D-01 (turns, 4th order) +ETURN6= 0.000000E+00 WEIGHT= 0.000000D+00 (turns, 6th order) +ESCCOR= 0.000000E+00 WEIGHT= 0.000000D+00 (backbone-rotamer corr) +EDIHC= 0.000000E+00 (dihedral angle constraints) +ESS= 0.000000E+00 (disulfide-bridge intrinsic energy) +UCONST= 0.000000E+00 (Constraint energy) +EDFAD= 5.491269-315 (DFA distance energy) +EDFAT= 6.953158-310 (DFA torsion energy) +EDFAN= 6.953158-310 (DFA NCa energy) +EDFAB= 2.650815-317 (DFA Beta energy) +ETOT= -8.642955E+01 (total) +RMS deviation from the reference structure: 4.518 + % of native contacts: 33.333 + % of nonnative contacts: 80.952 + contact order: 0.400 + TM-score with the reference structure: 0.28 + Conformation # 178 read + + + Conformation # 174 sumsl return code 4 + +Virtual-chain energies: + +EVDW= -4.974373E+01 WEIGHT= 1.352790D+00 (SC-SC) +EVDW2= 6.138525E+01 WEIGHT= 1.593040D+00 (SC-p) +EES= -1.211905E+02 WEIGHT= 7.153400D-01 (p-p) +EVDWPP= -1.711596E+01 WEIGHT= 1.137100D-01 (p-p VDW) +ESTR= 0.000000E+00 WEIGHT= 1.000000D+00 (stretching) +EBE= -3.653085E+01 WEIGHT= 1.138730D+00 (bending) +ESC= 4.770948E+01 WEIGHT= 1.625800D-01 (SC local) +ETORS= 1.186215E+01 WEIGHT= 1.985990D+00 (torsional) +ETORSD= -2.161311E+00 WEIGHT= 1.570690D+00 (double torsional) +EHBP= 0.000000E+00 WEIGHT= 1.000000D+00 (SS bridges & dist. cnstr.) +ECORR4= -9.444611E+01 WEIGHT= 4.288700D-01 (multi-body) +ECORR5= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body) +ECORR6= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body) +EELLO= -8.220799E+00 WEIGHT= 1.603600D-01 (electrostatic-local) +ETURN3= 1.774770E+01 WEIGHT= 1.687220D+00 (turns, 3rd order) +ETURN4= -5.603053E+00 WEIGHT= 6.623000D-01 (turns, 4th order) +ETURN6= 0.000000E+00 WEIGHT= 0.000000D+00 (turns, 6th order) +ESCCOR= 0.000000E+00 WEIGHT= 0.000000D+00 (backbone-rotamer corr) +EDIHC= 0.000000E+00 (dihedral angle constraints) +ESS= 0.000000E+00 (disulfide-bridge intrinsic energy) +UCONST= 0.000000E+00 (Constraint energy) +EDFAD= 5.491269-315 (DFA distance energy) +EDFAT= 6.953158-310 (DFA torsion energy) +EDFAN= 6.953158-310 (DFA NCa energy) +EDFAB= 2.650815-317 (DFA Beta energy) +ETOT= -8.741118E+01 (total) +RMS deviation from the reference structure: 3.130 + % of native contacts: 58.333 + % of nonnative contacts: 66.667 + contact order: 0.286 + TM-score with the reference structure: 0.29 + Conformation # 179 read + + + Conformation # 178 sumsl return code 4 + +Virtual-chain energies: + +EVDW= -4.943524E+01 WEIGHT= 1.352790D+00 (SC-SC) +EVDW2= 3.215555E+01 WEIGHT= 1.593040D+00 (SC-p) +EES= -4.837296E+01 WEIGHT= 7.153400D-01 (p-p) +EVDWPP= -3.382279E+01 WEIGHT= 1.137100D-01 (p-p VDW) +ESTR= 0.000000E+00 WEIGHT= 1.000000D+00 (stretching) +EBE= -3.905375E+01 WEIGHT= 1.138730D+00 (bending) +ESC= 3.200207E+01 WEIGHT= 1.625800D-01 (SC local) +ETORS= 4.610563E+00 WEIGHT= 1.985990D+00 (torsional) +ETORSD= -5.186061E-01 WEIGHT= 1.570690D+00 (double torsional) +EHBP= 0.000000E+00 WEIGHT= 1.000000D+00 (SS bridges & dist. cnstr.) +ECORR4= -3.289182E+01 WEIGHT= 4.288700D-01 (multi-body) +ECORR5= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body) +ECORR6= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body) +EELLO= 2.475586E+00 WEIGHT= 1.603600D-01 (electrostatic-local) +ETURN3= 9.173592E+00 WEIGHT= 1.687220D+00 (turns, 3rd order) +ETURN4= -1.560247E+00 WEIGHT= 6.623000D-01 (turns, 4th order) +ETURN6= 0.000000E+00 WEIGHT= 0.000000D+00 (turns, 6th order) +ESCCOR= 0.000000E+00 WEIGHT= 0.000000D+00 (backbone-rotamer corr) +EDIHC= 0.000000E+00 (dihedral angle constraints) +ESS= 0.000000E+00 (disulfide-bridge intrinsic energy) +UCONST= 0.000000E+00 (Constraint energy) +EDFAD= 5.491269-315 (DFA distance energy) +EDFAT= 6.953158-310 (DFA torsion energy) +EDFAN= 6.953158-310 (DFA NCa energy) +EDFAB= 2.650815-317 (DFA Beta energy) +ETOT= -8.429116E+01 (total) +RMS deviation from the reference structure: 5.777 + % of native contacts: 33.333 + % of nonnative contacts: 71.429 + contact order: 0.370 + TM-score with the reference structure: 0.26 + Conformation # 180 read + + + Conformation # 170 sumsl return code 4 + +Virtual-chain energies: + +EVDW= -5.102378E+01 WEIGHT= 1.352790D+00 (SC-SC) +EVDW2= 4.020422E+01 WEIGHT= 1.593040D+00 (SC-p) +EES= -8.113166E+01 WEIGHT= 7.153400D-01 (p-p) +EVDWPP= -2.169392E+01 WEIGHT= 1.137100D-01 (p-p VDW) +ESTR= 0.000000E+00 WEIGHT= 1.000000D+00 (stretching) +EBE= -3.746949E+01 WEIGHT= 1.138730D+00 (bending) +ESC= 4.032019E+01 WEIGHT= 1.625800D-01 (SC local) +ETORS= 8.412692E+00 WEIGHT= 1.985990D+00 (torsional) +ETORSD= 1.082782E+00 WEIGHT= 1.570690D+00 (double torsional) +EHBP= 0.000000E+00 WEIGHT= 1.000000D+00 (SS bridges & dist. cnstr.) +ECORR4= -5.910419E+01 WEIGHT= 4.288700D-01 (multi-body) +ECORR5= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body) +ECORR6= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body) +EELLO= -2.150570E+00 WEIGHT= 1.603600D-01 (electrostatic-local) +ETURN3= 1.567797E+01 WEIGHT= 1.687220D+00 (turns, 3rd order) +ETURN4= -2.506688E+00 WEIGHT= 6.623000D-01 (turns, 4th order) +ETURN6= 0.000000E+00 WEIGHT= 0.000000D+00 (turns, 6th order) +ESCCOR= 0.000000E+00 WEIGHT= 0.000000D+00 (backbone-rotamer corr) +EDIHC= 0.000000E+00 (dihedral angle constraints) +ESS= 0.000000E+00 (disulfide-bridge intrinsic energy) +UCONST= 0.000000E+00 (Constraint energy) +EDFAD= 5.491269-315 (DFA distance energy) +EDFAT= 6.953158-310 (DFA torsion energy) +EDFAN= 6.953158-310 (DFA NCa energy) +EDFAB= 2.650815-317 (DFA Beta energy) +ETOT= -8.408609E+01 (total) +RMS deviation from the reference structure: 3.110 + % of native contacts: 33.333 + % of nonnative contacts: 76.471 + contact order: 0.299 + TM-score with the reference structure: 0.32 + Conformation # 181 read + + + Conformation # 180 sumsl return code 4 + +Virtual-chain energies: + +EVDW= -5.294898E+01 WEIGHT= 1.352790D+00 (SC-SC) +EVDW2= 4.812379E+01 WEIGHT= 1.593040D+00 (SC-p) +EES= -9.213610E+01 WEIGHT= 7.153400D-01 (p-p) +EVDWPP= -2.157037E+01 WEIGHT= 1.137100D-01 (p-p VDW) +ESTR= 0.000000E+00 WEIGHT= 1.000000D+00 (stretching) +EBE= -3.855572E+01 WEIGHT= 1.138730D+00 (bending) +ESC= 3.654539E+01 WEIGHT= 1.625800D-01 (SC local) +ETORS= 8.779046E+00 WEIGHT= 1.985990D+00 (torsional) +ETORSD= -1.219924E+00 WEIGHT= 1.570690D+00 (double torsional) +EHBP= 0.000000E+00 WEIGHT= 1.000000D+00 (SS bridges & dist. cnstr.) +ECORR4= -6.978885E+01 WEIGHT= 4.288700D-01 (multi-body) +ECORR5= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body) +ECORR6= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body) +EELLO= -4.539127E+00 WEIGHT= 1.603600D-01 (electrostatic-local) +ETURN3= 1.824649E+01 WEIGHT= 1.687220D+00 (turns, 3rd order) +ETURN4= -2.513995E+00 WEIGHT= 6.623000D-01 (turns, 4th order) +ETURN6= 0.000000E+00 WEIGHT= 0.000000D+00 (turns, 6th order) +ESCCOR= 0.000000E+00 WEIGHT= 0.000000D+00 (backbone-rotamer corr) +EDIHC= 0.000000E+00 (dihedral angle constraints) +ESS= 0.000000E+00 (disulfide-bridge intrinsic energy) +UCONST= 0.000000E+00 (Constraint energy) +EDFAD= 5.491269-315 (DFA distance energy) +EDFAT= 6.953158-310 (DFA torsion energy) +EDFAN= 6.953158-310 (DFA NCa energy) +EDFAB= 2.650815-317 (DFA Beta energy) +ETOT= -8.730857E+01 (total) +RMS deviation from the reference structure: 6.420 + % of native contacts: 16.667 + % of nonnative contacts: 89.474 + contact order: 0.242 + TM-score with the reference structure: 0.29 + Conformation # 182 read + + + Conformation # 181 sumsl return code 4 + +Virtual-chain energies: + +EVDW= -5.167435E+01 WEIGHT= 1.352790D+00 (SC-SC) +EVDW2= 5.104408E+01 WEIGHT= 1.593040D+00 (SC-p) +EES= -1.084604E+02 WEIGHT= 7.153400D-01 (p-p) +EVDWPP= -2.602434E+01 WEIGHT= 1.137100D-01 (p-p VDW) +ESTR= 0.000000E+00 WEIGHT= 1.000000D+00 (stretching) +EBE= -3.813912E+01 WEIGHT= 1.138730D+00 (bending) +ESC= 4.983673E+01 WEIGHT= 1.625800D-01 (SC local) +ETORS= 1.253011E+01 WEIGHT= 1.985990D+00 (torsional) +ETORSD= -2.084882E+00 WEIGHT= 1.570690D+00 (double torsional) +EHBP= 0.000000E+00 WEIGHT= 1.000000D+00 (SS bridges & dist. cnstr.) +ECORR4= -8.355082E+01 WEIGHT= 4.288700D-01 (multi-body) +ECORR5= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body) +ECORR6= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body) +EELLO= -2.786102E-01 WEIGHT= 1.603600D-01 (electrostatic-local) +ETURN3= 2.099811E+01 WEIGHT= 1.687220D+00 (turns, 3rd order) +ETURN4= -2.656303E+00 WEIGHT= 6.623000D-01 (turns, 4th order) +ETURN6= 0.000000E+00 WEIGHT= 0.000000D+00 (turns, 6th order) +ESCCOR= 0.000000E+00 WEIGHT= 0.000000D+00 (backbone-rotamer corr) +EDIHC= 0.000000E+00 (dihedral angle constraints) +ESS= 0.000000E+00 (disulfide-bridge intrinsic energy) +UCONST= 0.000000E+00 (Constraint energy) +EDFAD= 5.491269-315 (DFA distance energy) +EDFAT= 6.953158-310 (DFA torsion energy) +EDFAN= 6.953158-310 (DFA NCa energy) +EDFAB= 2.650815-317 (DFA Beta energy) +ETOT= -8.506024E+01 (total) +RMS deviation from the reference structure: 3.374 + % of native contacts: 33.333 + % of nonnative contacts: 78.947 + contact order: 0.189 + TM-score with the reference structure: 0.28 + Conformation # 183 read + + + Conformation # 179 sumsl return code 4 + +Virtual-chain energies: + +EVDW= -5.042455E+01 WEIGHT= 1.352790D+00 (SC-SC) +EVDW2= 5.031530E+01 WEIGHT= 1.593040D+00 (SC-p) +EES= -9.977404E+01 WEIGHT= 7.153400D-01 (p-p) +EVDWPP= -3.150805E+01 WEIGHT= 1.137100D-01 (p-p VDW) +ESTR= 0.000000E+00 WEIGHT= 1.000000D+00 (stretching) +EBE= -4.137169E+01 WEIGHT= 1.138730D+00 (bending) +ESC= 4.365129E+01 WEIGHT= 1.625800D-01 (SC local) +ETORS= 9.826279E+00 WEIGHT= 1.985990D+00 (torsional) +ETORSD= 1.139928E+00 WEIGHT= 1.570690D+00 (double torsional) +EHBP= 0.000000E+00 WEIGHT= 1.000000D+00 (SS bridges & dist. cnstr.) +ECORR4= -7.122898E+01 WEIGHT= 4.288700D-01 (multi-body) +ECORR5= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body) +ECORR6= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body) +EELLO= -2.375760E+00 WEIGHT= 1.603600D-01 (electrostatic-local) +ETURN3= 1.812851E+01 WEIGHT= 1.687220D+00 (turns, 3rd order) +ETURN4= -3.968888E+00 WEIGHT= 6.623000D-01 (turns, 4th order) +ETURN6= 0.000000E+00 WEIGHT= 0.000000D+00 (turns, 6th order) +ESCCOR= 0.000000E+00 WEIGHT= 0.000000D+00 (backbone-rotamer corr) +EDIHC= 0.000000E+00 (dihedral angle constraints) +ESS= 0.000000E+00 (disulfide-bridge intrinsic energy) +UCONST= 0.000000E+00 (Constraint energy) +EDFAD= 5.491269-315 (DFA distance energy) +EDFAT= 6.953158-310 (DFA torsion energy) +EDFAN= 6.953158-310 (DFA NCa energy) +EDFAB= 2.650815-317 (DFA Beta energy) +ETOT= -8.469444E+01 (total) +RMS deviation from the reference structure: 3.290 + % of native contacts: 41.667 + % of nonnative contacts: 75.000 + contact order: 0.327 + TM-score with the reference structure: 0.28 + Conformation # 184 read + + + Conformation # 183 sumsl return code 4 + +Virtual-chain energies: + +EVDW= -5.290662E+01 WEIGHT= 1.352790D+00 (SC-SC) +EVDW2= 5.203538E+01 WEIGHT= 1.593040D+00 (SC-p) +EES= -1.058172E+02 WEIGHT= 7.153400D-01 (p-p) +EVDWPP= -1.801298E+01 WEIGHT= 1.137100D-01 (p-p VDW) +ESTR= 0.000000E+00 WEIGHT= 1.000000D+00 (stretching) +EBE= -4.072206E+01 WEIGHT= 1.138730D+00 (bending) +ESC= 4.100340E+01 WEIGHT= 1.625800D-01 (SC local) +ETORS= 1.109474E+01 WEIGHT= 1.985990D+00 (torsional) +ETORSD= -6.266683E-01 WEIGHT= 1.570690D+00 (double torsional) +EHBP= 0.000000E+00 WEIGHT= 1.000000D+00 (SS bridges & dist. cnstr.) +ECORR4= -7.995712E+01 WEIGHT= 4.288700D-01 (multi-body) +ECORR5= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body) +ECORR6= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body) +EELLO= -6.493522E+00 WEIGHT= 1.603600D-01 (electrostatic-local) +ETURN3= 1.980893E+01 WEIGHT= 1.687220D+00 (turns, 3rd order) +ETURN4= -9.313854E-01 WEIGHT= 6.623000D-01 (turns, 4th order) +ETURN6= 0.000000E+00 WEIGHT= 0.000000D+00 (turns, 6th order) +ESCCOR= 0.000000E+00 WEIGHT= 0.000000D+00 (backbone-rotamer corr) +EDIHC= 0.000000E+00 (dihedral angle constraints) +ESS= 0.000000E+00 (disulfide-bridge intrinsic energy) +UCONST= 0.000000E+00 (Constraint energy) +EDFAD= 5.491269-315 (DFA distance energy) +EDFAT= 6.953158-310 (DFA torsion energy) +EDFAN= 6.953158-310 (DFA NCa energy) +EDFAB= 2.650815-317 (DFA Beta energy) +ETOT= -8.760333E+01 (total) +RMS deviation from the reference structure: 2.398 + % of native contacts: 66.667 + % of nonnative contacts: 61.905 + contact order: 0.281 + TM-score with the reference structure: 0.33 + Conformation # 185 read + + + Conformation # 182 sumsl return code 4 + +Virtual-chain energies: + +EVDW= -5.183758E+01 WEIGHT= 1.352790D+00 (SC-SC) +EVDW2= 4.743454E+01 WEIGHT= 1.593040D+00 (SC-p) +EES= -9.154283E+01 WEIGHT= 7.153400D-01 (p-p) +EVDWPP= -2.167486E+01 WEIGHT= 1.137100D-01 (p-p VDW) +ESTR= 0.000000E+00 WEIGHT= 1.000000D+00 (stretching) +EBE= -3.499176E+01 WEIGHT= 1.138730D+00 (bending) +ESC= 3.142609E+01 WEIGHT= 1.625800D-01 (SC local) +ETORS= 1.130860E+01 WEIGHT= 1.985990D+00 (torsional) +ETORSD= -3.803475E+00 WEIGHT= 1.570690D+00 (double torsional) +EHBP= 0.000000E+00 WEIGHT= 1.000000D+00 (SS bridges & dist. cnstr.) +ECORR4= -6.666148E+01 WEIGHT= 4.288700D-01 (multi-body) +ECORR5= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body) +ECORR6= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body) +EELLO= -4.392275E+00 WEIGHT= 1.603600D-01 (electrostatic-local) +ETURN3= 1.499051E+01 WEIGHT= 1.687220D+00 (turns, 3rd order) +ETURN4= -4.417870E-01 WEIGHT= 6.623000D-01 (turns, 4th order) +ETURN6= 0.000000E+00 WEIGHT= 0.000000D+00 (turns, 6th order) +ESCCOR= 0.000000E+00 WEIGHT= 0.000000D+00 (backbone-rotamer corr) +EDIHC= 0.000000E+00 (dihedral angle constraints) +ESS= 0.000000E+00 (disulfide-bridge intrinsic energy) +UCONST= 0.000000E+00 (Constraint energy) +EDFAD= 5.491269-315 (DFA distance energy) +EDFAT= 6.953158-310 (DFA torsion energy) +EDFAN= 6.953158-310 (DFA NCa energy) +EDFAB= 2.650815-317 (DFA Beta energy) +ETOT= -8.505513E+01 (total) +RMS deviation from the reference structure: 4.486 + % of native contacts: 33.333 + % of nonnative contacts: 80.952 + contact order: 0.335 + TM-score with the reference structure: 0.30 + Conformation # 186 read + + + Conformation # 177 sumsl return code 4 + +Virtual-chain energies: + +EVDW= -5.660066E+01 WEIGHT= 1.352790D+00 (SC-SC) +EVDW2= 5.442083E+01 WEIGHT= 1.593040D+00 (SC-p) +EES= -1.058948E+02 WEIGHT= 7.153400D-01 (p-p) +EVDWPP= -3.205653E+01 WEIGHT= 1.137100D-01 (p-p VDW) +ESTR= 0.000000E+00 WEIGHT= 1.000000D+00 (stretching) +EBE= -3.555007E+01 WEIGHT= 1.138730D+00 (bending) +ESC= 5.102221E+01 WEIGHT= 1.625800D-01 (SC local) +ETORS= 1.252794E+01 WEIGHT= 1.985990D+00 (torsional) +ETORSD= -2.967661E+00 WEIGHT= 1.570690D+00 (double torsional) +EHBP= 0.000000E+00 WEIGHT= 1.000000D+00 (SS bridges & dist. cnstr.) +ECORR4= -8.298172E+01 WEIGHT= 4.288700D-01 (multi-body) +ECORR5= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body) +ECORR6= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body) +EELLO= -8.454496E+00 WEIGHT= 1.603600D-01 (electrostatic-local) +ETURN3= 1.902086E+01 WEIGHT= 1.687220D+00 (turns, 3rd order) +ETURN4= 2.614676E+00 WEIGHT= 6.623000D-01 (turns, 4th order) +ETURN6= 0.000000E+00 WEIGHT= 0.000000D+00 (turns, 6th order) +ESCCOR= 0.000000E+00 WEIGHT= 0.000000D+00 (backbone-rotamer corr) +EDIHC= 0.000000E+00 (dihedral angle constraints) +ESS= 0.000000E+00 (disulfide-bridge intrinsic energy) +UCONST= 0.000000E+00 (Constraint energy) +EDFAD= 5.491269-315 (DFA distance energy) +EDFAT= 6.953158-310 (DFA torsion energy) +EDFAN= 6.953158-310 (DFA NCa energy) +EDFAB= 2.650815-317 (DFA Beta energy) +ETOT= -8.435787E+01 (total) +RMS deviation from the reference structure: 2.834 + % of native contacts: 41.667 + % of nonnative contacts: 79.167 + contact order: 0.343 + TM-score with the reference structure: 0.33 + Conformation # 187 read + + + Conformation # 185 sumsl return code 4 + +Virtual-chain energies: + +EVDW= -5.122106E+01 WEIGHT= 1.352790D+00 (SC-SC) +EVDW2= 4.786912E+01 WEIGHT= 1.593040D+00 (SC-p) +EES= -1.002588E+02 WEIGHT= 7.153400D-01 (p-p) +EVDWPP= -2.521081E+01 WEIGHT= 1.137100D-01 (p-p VDW) +ESTR= 0.000000E+00 WEIGHT= 1.000000D+00 (stretching) +EBE= -4.291917E+01 WEIGHT= 1.138730D+00 (bending) +ESC= 3.728613E+01 WEIGHT= 1.625800D-01 (SC local) +ETORS= 1.028393E+01 WEIGHT= 1.985990D+00 (torsional) +ETORSD= 3.914362E+00 WEIGHT= 1.570690D+00 (double torsional) +EHBP= 0.000000E+00 WEIGHT= 1.000000D+00 (SS bridges & dist. cnstr.) +ECORR4= -6.994705E+01 WEIGHT= 4.288700D-01 (multi-body) +ECORR5= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body) +ECORR6= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body) +EELLO= -4.417315E+00 WEIGHT= 1.603600D-01 (electrostatic-local) +ETURN3= 1.652343E+01 WEIGHT= 1.687220D+00 (turns, 3rd order) +ETURN4= -5.623878E-01 WEIGHT= 6.623000D-01 (turns, 4th order) +ETURN6= 0.000000E+00 WEIGHT= 0.000000D+00 (turns, 6th order) +ESCCOR= 0.000000E+00 WEIGHT= 0.000000D+00 (backbone-rotamer corr) +EDIHC= 0.000000E+00 (dihedral angle constraints) +ESS= 0.000000E+00 (disulfide-bridge intrinsic energy) +UCONST= 0.000000E+00 (Constraint energy) +EDFAD= 5.491269-315 (DFA distance energy) +EDFAT= 6.953158-310 (DFA torsion energy) +EDFAN= 6.953158-310 (DFA NCa energy) +EDFAB= 2.650815-317 (DFA Beta energy) +ETOT= -8.705950E+01 (total) +RMS deviation from the reference structure: 3.761 + % of native contacts: 41.667 + % of nonnative contacts: 75.000 + contact order: 0.307 + TM-score with the reference structure: 0.28 + Conformation # 188 read + + + Conformation # 184 sumsl return code 4 + +Virtual-chain energies: + +EVDW= -5.318955E+01 WEIGHT= 1.352790D+00 (SC-SC) +EVDW2= 4.969906E+01 WEIGHT= 1.593040D+00 (SC-p) +EES= -1.045343E+02 WEIGHT= 7.153400D-01 (p-p) +EVDWPP= -1.798253E+01 WEIGHT= 1.137100D-01 (p-p VDW) +ESTR= 0.000000E+00 WEIGHT= 1.000000D+00 (stretching) +EBE= -4.003468E+01 WEIGHT= 1.138730D+00 (bending) +ESC= 3.676988E+01 WEIGHT= 1.625800D-01 (SC local) +ETORS= 1.251207E+01 WEIGHT= 1.985990D+00 (torsional) +ETORSD= -2.680267E+00 WEIGHT= 1.570690D+00 (double torsional) +EHBP= 0.000000E+00 WEIGHT= 1.000000D+00 (SS bridges & dist. cnstr.) +ECORR4= -7.570196E+01 WEIGHT= 4.288700D-01 (multi-body) +ECORR5= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body) +ECORR6= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body) +EELLO= 7.288080E-01 WEIGHT= 1.603600D-01 (electrostatic-local) +ETURN3= 1.891175E+01 WEIGHT= 1.687220D+00 (turns, 3rd order) +ETURN4= -1.776835E+00 WEIGHT= 6.623000D-01 (turns, 4th order) +ETURN6= 0.000000E+00 WEIGHT= 0.000000D+00 (turns, 6th order) +ESCCOR= 0.000000E+00 WEIGHT= 0.000000D+00 (backbone-rotamer corr) +EDIHC= 0.000000E+00 (dihedral angle constraints) +ESS= 0.000000E+00 (disulfide-bridge intrinsic energy) +UCONST= 0.000000E+00 (Constraint energy) +EDFAD= 5.491269-315 (DFA distance energy) +EDFAT= 6.953158-310 (DFA torsion energy) +EDFAN= 6.953158-310 (DFA NCa energy) +EDFAB= 2.650815-317 (DFA Beta energy) +ETOT= -9.019365E+01 (total) +RMS deviation from the reference structure: 3.728 + % of native contacts: 33.333 + % of nonnative contacts: 81.818 + contact order: 0.374 + TM-score with the reference structure: 0.28 + Conformation # 189 read + + + Conformation # 166 sumsl return code 4 + +Virtual-chain energies: + +EVDW= -5.333903E+01 WEIGHT= 1.352790D+00 (SC-SC) +EVDW2= 4.213416E+01 WEIGHT= 1.593040D+00 (SC-p) +EES= -7.904729E+01 WEIGHT= 7.153400D-01 (p-p) +EVDWPP= -2.512922E+01 WEIGHT= 1.137100D-01 (p-p VDW) +ESTR= 0.000000E+00 WEIGHT= 1.000000D+00 (stretching) +EBE= -3.651884E+01 WEIGHT= 1.138730D+00 (bending) +ESC= 4.160977E+01 WEIGHT= 1.625800D-01 (SC local) +ETORS= 7.266246E+00 WEIGHT= 1.985990D+00 (torsional) +ETORSD= -1.867551E-01 WEIGHT= 1.570690D+00 (double torsional) +EHBP= 0.000000E+00 WEIGHT= 1.000000D+00 (SS bridges & dist. cnstr.) +ECORR4= -6.037951E+01 WEIGHT= 4.288700D-01 (multi-body) +ECORR5= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body) +ECORR6= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body) +EELLO= -2.210958E+00 WEIGHT= 1.603600D-01 (electrostatic-local) +ETURN3= 1.594324E+01 WEIGHT= 1.687220D+00 (turns, 3rd order) +ETURN4= -1.698871E+00 WEIGHT= 6.623000D-01 (turns, 4th order) +ETURN6= 0.000000E+00 WEIGHT= 0.000000D+00 (turns, 6th order) +ESCCOR= 0.000000E+00 WEIGHT= 0.000000D+00 (backbone-rotamer corr) +EDIHC= 0.000000E+00 (dihedral angle constraints) +ESS= 0.000000E+00 (disulfide-bridge intrinsic energy) +UCONST= 0.000000E+00 (Constraint energy) +EDFAD= 5.491269-315 (DFA distance energy) +EDFAT= 6.953158-310 (DFA torsion energy) +EDFAN= 6.953158-310 (DFA NCa energy) +EDFAB= 2.650815-317 (DFA Beta energy) +ETOT= -8.559597E+01 (total) +RMS deviation from the reference structure: 3.749 + % of native contacts: 41.667 + % of nonnative contacts: 76.190 + contact order: 0.310 + TM-score with the reference structure: 0.28 + Conformation # 190 read + + + Conformation # 188 sumsl return code 4 + +Virtual-chain energies: + +EVDW= -5.396331E+01 WEIGHT= 1.352790D+00 (SC-SC) +EVDW2= 3.559336E+01 WEIGHT= 1.593040D+00 (SC-p) +EES= -6.291128E+01 WEIGHT= 7.153400D-01 (p-p) +EVDWPP= -2.748976E+01 WEIGHT= 1.137100D-01 (p-p VDW) +ESTR= 0.000000E+00 WEIGHT= 1.000000D+00 (stretching) +EBE= -3.846170E+01 WEIGHT= 1.138730D+00 (bending) +ESC= 4.909058E+01 WEIGHT= 1.625800D-01 (SC local) +ETORS= 6.041010E+00 WEIGHT= 1.985990D+00 (torsional) +ETORSD= 6.821197E-01 WEIGHT= 1.570690D+00 (double torsional) +EHBP= 0.000000E+00 WEIGHT= 1.000000D+00 (SS bridges & dist. cnstr.) +ECORR4= -4.213342E+01 WEIGHT= 4.288700D-01 (multi-body) +ECORR5= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body) +ECORR6= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body) +EELLO= -3.740863E-01 WEIGHT= 1.603600D-01 (electrostatic-local) +ETURN3= 1.339574E+01 WEIGHT= 1.687220D+00 (turns, 3rd order) +ETURN4= -2.117864E+00 WEIGHT= 6.623000D-01 (turns, 4th order) +ETURN6= 0.000000E+00 WEIGHT= 0.000000D+00 (turns, 6th order) +ESCCOR= 0.000000E+00 WEIGHT= 0.000000D+00 (backbone-rotamer corr) +EDIHC= 0.000000E+00 (dihedral angle constraints) +ESS= 0.000000E+00 (disulfide-bridge intrinsic energy) +UCONST= 0.000000E+00 (Constraint energy) +EDFAD= 5.491269-315 (DFA distance energy) +EDFAT= 6.953158-310 (DFA torsion energy) +EDFAN= 6.953158-310 (DFA NCa energy) +EDFAB= 2.650815-317 (DFA Beta energy) +ETOT= -8.410660E+01 (total) +RMS deviation from the reference structure: 5.616 + % of native contacts: 16.667 + % of nonnative contacts: 87.500 + contact order: 0.355 + TM-score with the reference structure: 0.24 + Conformation # 191 read + + + Conformation # 189 sumsl return code 4 + +Virtual-chain energies: + +EVDW= -5.263079E+01 WEIGHT= 1.352790D+00 (SC-SC) +EVDW2= 5.408111E+01 WEIGHT= 1.593040D+00 (SC-p) +EES= -1.113443E+02 WEIGHT= 7.153400D-01 (p-p) +EVDWPP= -2.325035E+01 WEIGHT= 1.137100D-01 (p-p VDW) +ESTR= 0.000000E+00 WEIGHT= 1.000000D+00 (stretching) +EBE= -4.095656E+01 WEIGHT= 1.138730D+00 (bending) +ESC= 4.467374E+01 WEIGHT= 1.625800D-01 (SC local) +ETORS= 1.263673E+01 WEIGHT= 1.985990D+00 (torsional) +ETORSD= -1.837568E+00 WEIGHT= 1.570690D+00 (double torsional) +EHBP= 0.000000E+00 WEIGHT= 1.000000D+00 (SS bridges & dist. cnstr.) +ECORR4= -8.539620E+01 WEIGHT= 4.288700D-01 (multi-body) +ECORR5= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body) +ECORR6= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body) +EELLO= -2.807585E+00 WEIGHT= 1.603600D-01 (electrostatic-local) +ETURN3= 2.011414E+01 WEIGHT= 1.687220D+00 (turns, 3rd order) +ETURN4= -5.824715E-01 WEIGHT= 6.623000D-01 (turns, 4th order) +ETURN6= 0.000000E+00 WEIGHT= 0.000000D+00 (turns, 6th order) +ESCCOR= 0.000000E+00 WEIGHT= 0.000000D+00 (backbone-rotamer corr) +EDIHC= 0.000000E+00 (dihedral angle constraints) +ESS= 0.000000E+00 (disulfide-bridge intrinsic energy) +UCONST= 0.000000E+00 (Constraint energy) +EDFAD= 5.491269-315 (DFA distance energy) +EDFAT= 6.953158-310 (DFA torsion energy) +EDFAN= 6.953158-310 (DFA NCa energy) +EDFAB= 2.650815-317 (DFA Beta energy) +ETOT= -8.802600E+01 (total) +RMS deviation from the reference structure: 2.436 + % of native contacts: 58.333 + % of nonnative contacts: 61.111 + contact order: 0.308 + TM-score with the reference structure: 0.29 + Conformation # 192 read + + + Conformation # 191 sumsl return code 4 + +Virtual-chain energies: + +EVDW= -5.073871E+01 WEIGHT= 1.352790D+00 (SC-SC) +EVDW2= 4.056598E+01 WEIGHT= 1.593040D+00 (SC-p) +EES= -8.352356E+01 WEIGHT= 7.153400D-01 (p-p) +EVDWPP= -1.918988E+01 WEIGHT= 1.137100D-01 (p-p VDW) +ESTR= 0.000000E+00 WEIGHT= 1.000000D+00 (stretching) +EBE= -3.957057E+01 WEIGHT= 1.138730D+00 (bending) +ESC= 4.761702E+01 WEIGHT= 1.625800D-01 (SC local) +ETORS= 1.000853E+01 WEIGHT= 1.985990D+00 (torsional) +ETORSD= -1.546632E+00 WEIGHT= 1.570690D+00 (double torsional) +EHBP= 0.000000E+00 WEIGHT= 1.000000D+00 (SS bridges & dist. cnstr.) +ECORR4= -6.250790E+01 WEIGHT= 4.288700D-01 (multi-body) +ECORR5= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body) +ECORR6= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body) +EELLO= 2.737265E+00 WEIGHT= 1.603600D-01 (electrostatic-local) +ETURN3= 1.727535E+01 WEIGHT= 1.687220D+00 (turns, 3rd order) +ETURN4= -2.546896E+00 WEIGHT= 6.623000D-01 (turns, 4th order) +ETURN6= 0.000000E+00 WEIGHT= 0.000000D+00 (turns, 6th order) +ESCCOR= 0.000000E+00 WEIGHT= 0.000000D+00 (backbone-rotamer corr) +EDIHC= 0.000000E+00 (dihedral angle constraints) +ESS= 0.000000E+00 (disulfide-bridge intrinsic energy) +UCONST= 0.000000E+00 (Constraint energy) +EDFAD= 5.491269-315 (DFA distance energy) +EDFAT= 6.953158-310 (DFA torsion energy) +EDFAN= 6.953158-310 (DFA NCa energy) +EDFAB= 2.650815-317 (DFA Beta energy) +ETOT= -8.472478E+01 (total) +RMS deviation from the reference structure: 5.554 + % of native contacts: 25.000 + % of nonnative contacts: 85.000 + contact order: 0.316 + TM-score with the reference structure: 0.31 + Conformation # 193 read + + + Conformation # 186 sumsl return code 4 + +Virtual-chain energies: + +EVDW= -5.527879E+01 WEIGHT= 1.352790D+00 (SC-SC) +EVDW2= 4.375751E+01 WEIGHT= 1.593040D+00 (SC-p) +EES= -7.807597E+01 WEIGHT= 7.153400D-01 (p-p) +EVDWPP= -3.103049E+01 WEIGHT= 1.137100D-01 (p-p VDW) +ESTR= 0.000000E+00 WEIGHT= 1.000000D+00 (stretching) +EBE= -3.585945E+01 WEIGHT= 1.138730D+00 (bending) +ESC= 4.123252E+01 WEIGHT= 1.625800D-01 (SC local) +ETORS= 9.267809E+00 WEIGHT= 1.985990D+00 (torsional) +ETORSD= -2.792440E+00 WEIGHT= 1.570690D+00 (double torsional) +EHBP= 0.000000E+00 WEIGHT= 1.000000D+00 (SS bridges & dist. cnstr.) +ECORR4= -5.844763E+01 WEIGHT= 4.288700D-01 (multi-body) +ECORR5= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body) +ECORR6= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body) +EELLO= 2.758348E-01 WEIGHT= 1.603600D-01 (electrostatic-local) +ETURN3= 1.485649E+01 WEIGHT= 1.687220D+00 (turns, 3rd order) +ETURN4= 6.428202E-01 WEIGHT= 6.623000D-01 (turns, 4th order) +ETURN6= 0.000000E+00 WEIGHT= 0.000000D+00 (turns, 6th order) +ESCCOR= 0.000000E+00 WEIGHT= 0.000000D+00 (backbone-rotamer corr) +EDIHC= 0.000000E+00 (dihedral angle constraints) +ESS= 0.000000E+00 (disulfide-bridge intrinsic energy) +UCONST= 0.000000E+00 (Constraint energy) +EDFAD= 5.491269-315 (DFA distance energy) +EDFAT= 6.953158-310 (DFA torsion energy) +EDFAN= 6.953158-310 (DFA NCa energy) +EDFAB= 2.650815-317 (DFA Beta energy) +ETOT= -8.409368E+01 (total) +RMS deviation from the reference structure: 5.093 + % of native contacts: 25.000 + % of nonnative contacts: 86.364 + contact order: 0.357 + TM-score with the reference structure: 0.28 + Conformation # 194 read + + + Conformation # 187 sumsl return code 4 + +Virtual-chain energies: + +EVDW= -5.088940E+01 WEIGHT= 1.352790D+00 (SC-SC) +EVDW2= 4.624359E+01 WEIGHT= 1.593040D+00 (SC-p) +EES= -9.557901E+01 WEIGHT= 7.153400D-01 (p-p) +EVDWPP= -2.950596E+01 WEIGHT= 1.137100D-01 (p-p VDW) +ESTR= 0.000000E+00 WEIGHT= 1.000000D+00 (stretching) +EBE= -3.688642E+01 WEIGHT= 1.138730D+00 (bending) +ESC= 4.134814E+01 WEIGHT= 1.625800D-01 (SC local) +ETORS= 8.929300E+00 WEIGHT= 1.985990D+00 (torsional) +ETORSD= 2.340901E+00 WEIGHT= 1.570690D+00 (double torsional) +EHBP= 0.000000E+00 WEIGHT= 1.000000D+00 (SS bridges & dist. cnstr.) +ECORR4= -7.151629E+01 WEIGHT= 4.288700D-01 (multi-body) +ECORR5= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body) +ECORR6= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body) +EELLO= -5.369463E+00 WEIGHT= 1.603600D-01 (electrostatic-local) +ETURN3= 1.836256E+01 WEIGHT= 1.687220D+00 (turns, 3rd order) +ETURN4= -5.442761E+00 WEIGHT= 6.623000D-01 (turns, 4th order) +ETURN6= 0.000000E+00 WEIGHT= 0.000000D+00 (turns, 6th order) +ESCCOR= 0.000000E+00 WEIGHT= 0.000000D+00 (backbone-rotamer corr) +EDIHC= 0.000000E+00 (dihedral angle constraints) +ESS= 0.000000E+00 (disulfide-bridge intrinsic energy) +UCONST= 0.000000E+00 (Constraint energy) +EDFAD= 5.491269-315 (DFA distance energy) +EDFAT= 6.953158-310 (DFA torsion energy) +EDFAN= 6.953158-310 (DFA NCa energy) +EDFAB= 2.650815-317 (DFA Beta energy) +ETOT= -8.492766E+01 (total) +RMS deviation from the reference structure: 2.237 + % of native contacts: 41.667 + % of nonnative contacts: 75.000 + contact order: 0.336 + TM-score with the reference structure: 0.37 + Conformation # 195 read + + + Conformation # 193 sumsl return code 4 + +Virtual-chain energies: + +EVDW= -5.549345E+01 WEIGHT= 1.352790D+00 (SC-SC) +EVDW2= 4.532214E+01 WEIGHT= 1.593040D+00 (SC-p) +EES= -8.233249E+01 WEIGHT= 7.153400D-01 (p-p) +EVDWPP= -3.144804E+01 WEIGHT= 1.137100D-01 (p-p VDW) +ESTR= 0.000000E+00 WEIGHT= 1.000000D+00 (stretching) +EBE= -3.501135E+01 WEIGHT= 1.138730D+00 (bending) +ESC= 4.260462E+01 WEIGHT= 1.625800D-01 (SC local) +ETORS= 5.996061E+00 WEIGHT= 1.985990D+00 (torsional) +ETORSD= 1.862324E-01 WEIGHT= 1.570690D+00 (double torsional) +EHBP= 0.000000E+00 WEIGHT= 1.000000D+00 (SS bridges & dist. cnstr.) +ECORR4= -6.112928E+01 WEIGHT= 4.288700D-01 (multi-body) +ECORR5= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body) +ECORR6= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body) +EELLO= -2.678970E+00 WEIGHT= 1.603600D-01 (electrostatic-local) +ETURN3= 1.476247E+01 WEIGHT= 1.687220D+00 (turns, 3rd order) +ETURN4= -1.490979E-01 WEIGHT= 6.623000D-01 (turns, 4th order) +ETURN6= 0.000000E+00 WEIGHT= 0.000000D+00 (turns, 6th order) +ESCCOR= 0.000000E+00 WEIGHT= 0.000000D+00 (backbone-rotamer corr) +EDIHC= 0.000000E+00 (dihedral angle constraints) +ESS= 0.000000E+00 (disulfide-bridge intrinsic energy) +UCONST= 0.000000E+00 (Constraint energy) +EDFAD= 5.491269-315 (DFA distance energy) +EDFAT= 6.953158-310 (DFA torsion energy) +EDFAN= 6.953158-310 (DFA NCa energy) +EDFAB= 2.650815-317 (DFA Beta energy) +ETOT= -8.792121E+01 (total) +RMS deviation from the reference structure: 3.379 + % of native contacts: 58.333 + % of nonnative contacts: 65.000 + contact order: 0.307 + TM-score with the reference structure: 0.30 + Conformation # 196 read + + + Conformation # 194 sumsl return code 4 + +Virtual-chain energies: + +EVDW= -5.151012E+01 WEIGHT= 1.352790D+00 (SC-SC) +EVDW2= 4.463204E+01 WEIGHT= 1.593040D+00 (SC-p) +EES= -9.106776E+01 WEIGHT= 7.153400D-01 (p-p) +EVDWPP= -1.006752E+01 WEIGHT= 1.137100D-01 (p-p VDW) +ESTR= 0.000000E+00 WEIGHT= 1.000000D+00 (stretching) +EBE= -3.875413E+01 WEIGHT= 1.138730D+00 (bending) +ESC= 3.400160E+01 WEIGHT= 1.625800D-01 (SC local) +ETORS= 1.056549E+01 WEIGHT= 1.985990D+00 (torsional) +ETORSD= -1.360475E+00 WEIGHT= 1.570690D+00 (double torsional) +EHBP= 0.000000E+00 WEIGHT= 1.000000D+00 (SS bridges & dist. cnstr.) +ECORR4= -6.774039E+01 WEIGHT= 4.288700D-01 (multi-body) +ECORR5= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body) +ECORR6= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body) +EELLO= 4.233215E-01 WEIGHT= 1.603600D-01 (electrostatic-local) +ETURN3= 1.831070E+01 WEIGHT= 1.687220D+00 (turns, 3rd order) +ETURN4= -2.527068E+00 WEIGHT= 6.623000D-01 (turns, 4th order) +ETURN6= 0.000000E+00 WEIGHT= 0.000000D+00 (turns, 6th order) +ESCCOR= 0.000000E+00 WEIGHT= 0.000000D+00 (backbone-rotamer corr) +EDIHC= 0.000000E+00 (dihedral angle constraints) +ESS= 0.000000E+00 (disulfide-bridge intrinsic energy) +UCONST= 0.000000E+00 (Constraint energy) +EDFAD= 5.491269-315 (DFA distance energy) +EDFAT= 6.953158-310 (DFA torsion energy) +EDFAN= 6.953158-310 (DFA NCa energy) +EDFAB= 2.650815-317 (DFA Beta energy) +ETOT= -8.439082E+01 (total) +RMS deviation from the reference structure: 4.765 + % of native contacts: 25.000 + % of nonnative contacts: 84.211 + contact order: 0.378 + TM-score with the reference structure: 0.26 + Conformation # 197 read + + + Conformation # 195 sumsl return code 4 + +Virtual-chain energies: + +EVDW= -5.188865E+01 WEIGHT= 1.352790D+00 (SC-SC) +EVDW2= 3.830600E+01 WEIGHT= 1.593040D+00 (SC-p) +EES= -6.851159E+01 WEIGHT= 7.153400D-01 (p-p) +EVDWPP= -3.174164E+01 WEIGHT= 1.137100D-01 (p-p VDW) +ESTR= 0.000000E+00 WEIGHT= 1.000000D+00 (stretching) +EBE= -3.934667E+01 WEIGHT= 1.138730D+00 (bending) +ESC= 3.572007E+01 WEIGHT= 1.625800D-01 (SC local) +ETORS= 8.744843E+00 WEIGHT= 1.985990D+00 (torsional) +ETORSD= -2.421162E+00 WEIGHT= 1.570690D+00 (double torsional) +EHBP= 0.000000E+00 WEIGHT= 1.000000D+00 (SS bridges & dist. cnstr.) +ECORR4= -5.113101E+01 WEIGHT= 4.288700D-01 (multi-body) +ECORR5= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body) +ECORR6= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body) +EELLO= 4.052227E-02 WEIGHT= 1.603600D-01 (electrostatic-local) +ETURN3= 1.391149E+01 WEIGHT= 1.687220D+00 (turns, 3rd order) +ETURN4= -1.065063E+00 WEIGHT= 6.623000D-01 (turns, 4th order) +ETURN6= 0.000000E+00 WEIGHT= 0.000000D+00 (turns, 6th order) +ESCCOR= 0.000000E+00 WEIGHT= 0.000000D+00 (backbone-rotamer corr) +EDIHC= 0.000000E+00 (dihedral angle constraints) +ESS= 0.000000E+00 (disulfide-bridge intrinsic energy) +UCONST= 0.000000E+00 (Constraint energy) +EDFAD= 5.491269-315 (DFA distance energy) +EDFAT= 6.953158-310 (DFA torsion energy) +EDFAN= 6.953158-310 (DFA NCa energy) +EDFAB= 2.650815-317 (DFA Beta energy) +ETOT= -8.637917E+01 (total) +RMS deviation from the reference structure: 4.817 + % of native contacts: 16.667 + % of nonnative contacts: 90.476 + contact order: 0.407 + TM-score with the reference structure: 0.32 + Conformation # 198 read + + + Conformation # 196 sumsl return code 4 + +Virtual-chain energies: + +EVDW= -5.689562E+01 WEIGHT= 1.352790D+00 (SC-SC) +EVDW2= 3.953417E+01 WEIGHT= 1.593040D+00 (SC-p) +EES= -6.575149E+01 WEIGHT= 7.153400D-01 (p-p) +EVDWPP= -3.242620E+01 WEIGHT= 1.137100D-01 (p-p VDW) +ESTR= 0.000000E+00 WEIGHT= 1.000000D+00 (stretching) +EBE= -3.655341E+01 WEIGHT= 1.138730D+00 (bending) +ESC= 4.668342E+01 WEIGHT= 1.625800D-01 (SC local) +ETORS= 5.437181E+00 WEIGHT= 1.985990D+00 (torsional) +ETORSD= 1.050091E-02 WEIGHT= 1.570690D+00 (double torsional) +EHBP= 0.000000E+00 WEIGHT= 1.000000D+00 (SS bridges & dist. cnstr.) +ECORR4= -5.033938E+01 WEIGHT= 4.288700D-01 (multi-body) +ECORR5= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body) +ECORR6= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body) +EELLO= 6.645582E-01 WEIGHT= 1.603600D-01 (electrostatic-local) +ETURN3= 1.246771E+01 WEIGHT= 1.687220D+00 (turns, 3rd order) +ETURN4= -7.467353E-01 WEIGHT= 6.623000D-01 (turns, 4th order) +ETURN6= 0.000000E+00 WEIGHT= 0.000000D+00 (turns, 6th order) +ESCCOR= 0.000000E+00 WEIGHT= 0.000000D+00 (backbone-rotamer corr) +EDIHC= 0.000000E+00 (dihedral angle constraints) +ESS= 0.000000E+00 (disulfide-bridge intrinsic energy) +UCONST= 0.000000E+00 (Constraint energy) +EDFAD= 5.491269-315 (DFA distance energy) +EDFAT= 6.953158-310 (DFA torsion energy) +EDFAN= 6.953158-310 (DFA NCa energy) +EDFAB= 2.650815-317 (DFA Beta energy) +ETOT= -8.887143E+01 (total) +RMS deviation from the reference structure: 4.090 + % of native contacts: 41.667 + % of nonnative contacts: 77.273 + contact order: 0.430 + TM-score with the reference structure: 0.23 + Conformation # 199 read + + + Conformation # 198 sumsl return code 4 + +Virtual-chain energies: + +EVDW= -5.176116E+01 WEIGHT= 1.352790D+00 (SC-SC) +EVDW2= 3.918403E+01 WEIGHT= 1.593040D+00 (SC-p) +EES= -7.508124E+01 WEIGHT= 7.153400D-01 (p-p) +EVDWPP= -1.767172E+01 WEIGHT= 1.137100D-01 (p-p VDW) +ESTR= 0.000000E+00 WEIGHT= 1.000000D+00 (stretching) +EBE= -3.849045E+01 WEIGHT= 1.138730D+00 (bending) +ESC= 4.386108E+01 WEIGHT= 1.625800D-01 (SC local) +ETORS= 8.613555E+00 WEIGHT= 1.985990D+00 (torsional) +ETORSD= -1.102559E+00 WEIGHT= 1.570690D+00 (double torsional) +EHBP= 0.000000E+00 WEIGHT= 1.000000D+00 (SS bridges & dist. cnstr.) +ECORR4= -5.446175E+01 WEIGHT= 4.288700D-01 (multi-body) +ECORR5= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body) +ECORR6= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body) +EELLO= 2.582089E+00 WEIGHT= 1.603600D-01 (electrostatic-local) +ETURN3= 1.431340E+01 WEIGHT= 1.687220D+00 (turns, 3rd order) +ETURN4= -3.237543E+00 WEIGHT= 6.623000D-01 (turns, 4th order) +ETURN6= 0.000000E+00 WEIGHT= 0.000000D+00 (turns, 6th order) +ESCCOR= 0.000000E+00 WEIGHT= 0.000000D+00 (backbone-rotamer corr) +EDIHC= 0.000000E+00 (dihedral angle constraints) +ESS= 0.000000E+00 (disulfide-bridge intrinsic energy) +UCONST= 0.000000E+00 (Constraint energy) +EDFAD= 5.491269-315 (DFA distance energy) +EDFAT= 6.953158-310 (DFA torsion energy) +EDFAN= 6.953158-310 (DFA NCa energy) +EDFAB= 2.650815-317 (DFA Beta energy) +ETOT= -8.558028E+01 (total) +RMS deviation from the reference structure: 4.677 + % of native contacts: 25.000 + % of nonnative contacts: 82.353 + contact order: 0.447 + TM-score with the reference structure: 0.29 + Conformation # 200 read + + + Conformation # 192 sumsl return code 4 + +Virtual-chain energies: + +EVDW= -5.120452E+01 WEIGHT= 1.352790D+00 (SC-SC) +EVDW2= 4.128917E+01 WEIGHT= 1.593040D+00 (SC-p) +EES= -8.326864E+01 WEIGHT= 7.153400D-01 (p-p) +EVDWPP= -1.767216E+01 WEIGHT= 1.137100D-01 (p-p VDW) +ESTR= 0.000000E+00 WEIGHT= 1.000000D+00 (stretching) +EBE= -4.027511E+01 WEIGHT= 1.138730D+00 (bending) +ESC= 4.642033E+01 WEIGHT= 1.625800D-01 (SC local) +ETORS= 9.392966E+00 WEIGHT= 1.985990D+00 (torsional) +ETORSD= -1.988926E+00 WEIGHT= 1.570690D+00 (double torsional) +EHBP= 0.000000E+00 WEIGHT= 1.000000D+00 (SS bridges & dist. cnstr.) +ECORR4= -6.319091E+01 WEIGHT= 4.288700D-01 (multi-body) +ECORR5= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body) +ECORR6= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body) +EELLO= -9.628265E-01 WEIGHT= 1.603600D-01 (electrostatic-local) +ETURN3= 1.739036E+01 WEIGHT= 1.687220D+00 (turns, 3rd order) +ETURN4= -1.959788E+00 WEIGHT= 6.623000D-01 (turns, 4th order) +ETURN6= 0.000000E+00 WEIGHT= 0.000000D+00 (turns, 6th order) +ESCCOR= 0.000000E+00 WEIGHT= 0.000000D+00 (backbone-rotamer corr) +EDIHC= 0.000000E+00 (dihedral angle constraints) +ESS= 0.000000E+00 (disulfide-bridge intrinsic energy) +UCONST= 0.000000E+00 (Constraint energy) +EDFAD= 5.491269-315 (DFA distance energy) +EDFAT= 6.953158-310 (DFA torsion energy) +EDFAN= 6.953158-310 (DFA NCa energy) +EDFAB= 2.650815-317 (DFA Beta energy) +ETOT= -8.706537E+01 (total) +RMS deviation from the reference structure: 5.028 + % of native contacts: 50.000 + % of nonnative contacts: 70.000 + contact order: 0.282 + TM-score with the reference structure: 0.33 + + + Conformation # 200 sumsl return code 4 + +Virtual-chain energies: + +EVDW= -5.424967E+01 WEIGHT= 1.352790D+00 (SC-SC) +EVDW2= 3.739725E+01 WEIGHT= 1.593040D+00 (SC-p) +EES= -6.507971E+01 WEIGHT= 7.153400D-01 (p-p) +EVDWPP= -2.899902E+01 WEIGHT= 1.137100D-01 (p-p VDW) +ESTR= 0.000000E+00 WEIGHT= 1.000000D+00 (stretching) +EBE= -3.664801E+01 WEIGHT= 1.138730D+00 (bending) +ESC= 3.556747E+01 WEIGHT= 1.625800D-01 (SC local) +ETORS= 5.566837E+00 WEIGHT= 1.985990D+00 (torsional) +ETORSD= -9.866388E-01 WEIGHT= 1.570690D+00 (double torsional) +EHBP= 0.000000E+00 WEIGHT= 1.000000D+00 (SS bridges & dist. cnstr.) +ECORR4= -4.817315E+01 WEIGHT= 4.288700D-01 (multi-body) +ECORR5= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body) +ECORR6= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body) +EELLO= -2.342387E+00 WEIGHT= 1.603600D-01 (electrostatic-local) +ETURN3= 1.437203E+01 WEIGHT= 1.687220D+00 (turns, 3rd order) +ETURN4= -1.758924E+00 WEIGHT= 6.623000D-01 (turns, 4th order) +ETURN6= 0.000000E+00 WEIGHT= 0.000000D+00 (turns, 6th order) +ESCCOR= 0.000000E+00 WEIGHT= 0.000000D+00 (backbone-rotamer corr) +EDIHC= 0.000000E+00 (dihedral angle constraints) +ESS= 0.000000E+00 (disulfide-bridge intrinsic energy) +UCONST= 0.000000E+00 (Constraint energy) +EDFAD= 5.491269-315 (DFA distance energy) +EDFAT= 6.953158-310 (DFA torsion energy) +EDFAN= 6.953158-310 (DFA NCa energy) +EDFAB= 2.650815-317 (DFA Beta energy) +ETOT= -8.806015E+01 (total) +RMS deviation from the reference structure: 4.376 + % of native contacts: 41.667 + % of nonnative contacts: 78.261 + contact order: 0.387 + TM-score with the reference structure: 0.28 + + + Conformation # 199 sumsl return code 4 + +Virtual-chain energies: + +EVDW= -5.087801E+01 WEIGHT= 1.352790D+00 (SC-SC) +EVDW2= 4.564249E+01 WEIGHT= 1.593040D+00 (SC-p) +EES= -8.564950E+01 WEIGHT= 7.153400D-01 (p-p) +EVDWPP= -2.233310E+01 WEIGHT= 1.137100D-01 (p-p VDW) +ESTR= 0.000000E+00 WEIGHT= 1.000000D+00 (stretching) +EBE= -3.877957E+01 WEIGHT= 1.138730D+00 (bending) +ESC= 3.756011E+01 WEIGHT= 1.625800D-01 (SC local) +ETORS= 8.658746E+00 WEIGHT= 1.985990D+00 (torsional) +ETORSD= -3.650807E-01 WEIGHT= 1.570690D+00 (double torsional) +EHBP= 0.000000E+00 WEIGHT= 1.000000D+00 (SS bridges & dist. cnstr.) +ECORR4= -6.431442E+01 WEIGHT= 4.288700D-01 (multi-body) +ECORR5= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body) +ECORR6= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body) +EELLO= -4.083900E+00 WEIGHT= 1.603600D-01 (electrostatic-local) +ETURN3= 1.665896E+01 WEIGHT= 1.687220D+00 (turns, 3rd order) +ETURN4= -2.809986E+00 WEIGHT= 6.623000D-01 (turns, 4th order) +ETURN6= 0.000000E+00 WEIGHT= 0.000000D+00 (turns, 6th order) +ESCCOR= 0.000000E+00 WEIGHT= 0.000000D+00 (backbone-rotamer corr) +EDIHC= 0.000000E+00 (dihedral angle constraints) +ESS= 0.000000E+00 (disulfide-bridge intrinsic energy) +UCONST= 0.000000E+00 (Constraint energy) +EDFAD= 5.491269-315 (DFA distance energy) +EDFAT= 6.953158-310 (DFA torsion energy) +EDFAN= 6.953158-310 (DFA NCa energy) +EDFAB= 2.650815-317 (DFA Beta energy) +ETOT= -8.334629E+01 (total) +RMS deviation from the reference structure: 4.681 + % of native contacts: 25.000 + % of nonnative contacts: 84.211 + contact order: 0.330 + TM-score with the reference structure: 0.29 + + + Conformation # 197 sumsl return code 4 + +Virtual-chain energies: + +EVDW= -5.270935E+01 WEIGHT= 1.352790D+00 (SC-SC) +EVDW2= 4.600203E+01 WEIGHT= 1.593040D+00 (SC-p) +EES= -9.159463E+01 WEIGHT= 7.153400D-01 (p-p) +EVDWPP= -2.269199E+01 WEIGHT= 1.137100D-01 (p-p VDW) +ESTR= 0.000000E+00 WEIGHT= 1.000000D+00 (stretching) +EBE= -4.033718E+01 WEIGHT= 1.138730D+00 (bending) +ESC= 4.338191E+01 WEIGHT= 1.625800D-01 (SC local) +ETORS= 1.002737E+01 WEIGHT= 1.985990D+00 (torsional) +ETORSD= -1.607228E+00 WEIGHT= 1.570690D+00 (double torsional) +EHBP= 0.000000E+00 WEIGHT= 1.000000D+00 (SS bridges & dist. cnstr.) +ECORR4= -6.856459E+01 WEIGHT= 4.288700D-01 (multi-body) +ECORR5= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body) +ECORR6= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body) +EELLO= -2.823195E-01 WEIGHT= 1.603600D-01 (electrostatic-local) +ETURN3= 1.817855E+01 WEIGHT= 1.687220D+00 (turns, 3rd order) +ETURN4= -1.707506E+00 WEIGHT= 6.623000D-01 (turns, 4th order) +ETURN6= 0.000000E+00 WEIGHT= 0.000000D+00 (turns, 6th order) +ESCCOR= 0.000000E+00 WEIGHT= 0.000000D+00 (backbone-rotamer corr) +EDIHC= 0.000000E+00 (dihedral angle constraints) +ESS= 0.000000E+00 (disulfide-bridge intrinsic energy) +UCONST= 0.000000E+00 (Constraint energy) +EDFAD= 5.491269-315 (DFA distance energy) +EDFAT= 6.953158-310 (DFA torsion energy) +EDFAN= 6.953158-310 (DFA NCa energy) +EDFAB= 2.650815-317 (DFA Beta energy) +ETOT= -8.752376E+01 (total) +RMS deviation from the reference structure: 4.660 + % of native contacts: 58.333 + % of nonnative contacts: 66.667 + contact order: 0.327 + TM-score with the reference structure: 0.30 + + + Conformation # 190 sumsl return code 4 + +Virtual-chain energies: + +EVDW= -5.038684E+01 WEIGHT= 1.352790D+00 (SC-SC) +EVDW2= 4.850926E+01 WEIGHT= 1.593040D+00 (SC-p) +EES= -1.024879E+02 WEIGHT= 7.153400D-01 (p-p) +EVDWPP= -1.444056E+01 WEIGHT= 1.137100D-01 (p-p VDW) +ESTR= 0.000000E+00 WEIGHT= 1.000000D+00 (stretching) +EBE= -3.961792E+01 WEIGHT= 1.138730D+00 (bending) +ESC= 4.782860E+01 WEIGHT= 1.625800D-01 (SC local) +ETORS= 1.110474E+01 WEIGHT= 1.985990D+00 (torsional) +ETORSD= -2.777569E-01 WEIGHT= 1.570690D+00 (double torsional) +EHBP= 0.000000E+00 WEIGHT= 1.000000D+00 (SS bridges & dist. cnstr.) +ECORR4= -7.324958E+01 WEIGHT= 4.288700D-01 (multi-body) +ECORR5= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body) +ECORR6= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body) +EELLO= -2.717872E-01 WEIGHT= 1.603600D-01 (electrostatic-local) +ETURN3= 1.743721E+01 WEIGHT= 1.687220D+00 (turns, 3rd order) +ETURN4= -7.098839E-01 WEIGHT= 6.623000D-01 (turns, 4th order) +ETURN6= 0.000000E+00 WEIGHT= 0.000000D+00 (turns, 6th order) +ESCCOR= 0.000000E+00 WEIGHT= 0.000000D+00 (backbone-rotamer corr) +EDIHC= 0.000000E+00 (dihedral angle constraints) +ESS= 0.000000E+00 (disulfide-bridge intrinsic energy) +UCONST= 0.000000E+00 (Constraint energy) +EDFAD= 5.491269-315 (DFA distance energy) +EDFAT= 6.953158-310 (DFA torsion energy) +EDFAN= 6.953158-310 (DFA NCa energy) +EDFAB= 2.650815-317 (DFA Beta energy) +ETOT= -8.406973E+01 (total) +RMS deviation from the reference structure: 2.163 + % of native contacts: 50.000 + % of nonnative contacts: 66.667 + contact order: 0.323 + TM-score with the reference structure: 0.31 + + + Conformation # 159 sumsl return code 4 + +Virtual-chain energies: + +EVDW= -5.279790E+01 WEIGHT= 1.352790D+00 (SC-SC) +EVDW2= 4.320690E+01 WEIGHT= 1.593040D+00 (SC-p) +EES= -8.623065E+01 WEIGHT= 7.153400D-01 (p-p) +EVDWPP= -1.609644E+01 WEIGHT= 1.137100D-01 (p-p VDW) +ESTR= 0.000000E+00 WEIGHT= 1.000000D+00 (stretching) +EBE= -3.956218E+01 WEIGHT= 1.138730D+00 (bending) +ESC= 5.898284E+01 WEIGHT= 1.625800D-01 (SC local) +ETORS= 9.671271E+00 WEIGHT= 1.985990D+00 (torsional) +ETORSD= -1.971714E+00 WEIGHT= 1.570690D+00 (double torsional) +EHBP= 0.000000E+00 WEIGHT= 1.000000D+00 (SS bridges & dist. cnstr.) +ECORR4= -6.391228E+01 WEIGHT= 4.288700D-01 (multi-body) +ECORR5= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body) +ECORR6= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body) +EELLO= -1.117551E+00 WEIGHT= 1.603600D-01 (electrostatic-local) +ETURN3= 1.837988E+01 WEIGHT= 1.687220D+00 (turns, 3rd order) +ETURN4= -4.530386E+00 WEIGHT= 6.623000D-01 (turns, 4th order) +ETURN6= 0.000000E+00 WEIGHT= 0.000000D+00 (turns, 6th order) +ESCCOR= 0.000000E+00 WEIGHT= 0.000000D+00 (backbone-rotamer corr) +EDIHC= 0.000000E+00 (dihedral angle constraints) +ESS= 0.000000E+00 (disulfide-bridge intrinsic energy) +UCONST= 0.000000E+00 (Constraint energy) +EDFAD= 5.491269-315 (DFA distance energy) +EDFAT= 6.953158-310 (DFA torsion energy) +EDFAN= 6.953158-310 (DFA NCa energy) +EDFAB= 2.650815-317 (DFA Beta energy) +ETOT= -8.503867E+01 (total) +RMS deviation from the reference structure: 4.715 + % of native contacts: 41.667 + % of nonnative contacts: 73.684 + contact order: 0.337 + TM-score with the reference structure: 0.31 + + + Conformation # 131 sumsl return code 4 + +Virtual-chain energies: + +EVDW= -4.897357E+01 WEIGHT= 1.352790D+00 (SC-SC) +EVDW2= 3.915163E+01 WEIGHT= 1.593040D+00 (SC-p) +EES= -7.616403E+01 WEIGHT= 7.153400D-01 (p-p) +EVDWPP= -1.790272E+01 WEIGHT= 1.137100D-01 (p-p VDW) +ESTR= 0.000000E+00 WEIGHT= 1.000000D+00 (stretching) +EBE= -3.976098E+01 WEIGHT= 1.138730D+00 (bending) +ESC= 3.234261E+01 WEIGHT= 1.625800D-01 (SC local) +ETORS= 8.585411E+00 WEIGHT= 1.985990D+00 (torsional) +ETORSD= -1.311838E+00 WEIGHT= 1.570690D+00 (double torsional) +EHBP= 0.000000E+00 WEIGHT= 1.000000D+00 (SS bridges & dist. cnstr.) +ECORR4= -5.707833E+01 WEIGHT= 4.288700D-01 (multi-body) +ECORR5= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body) +ECORR6= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body) +EELLO= 9.255785E-01 WEIGHT= 1.603600D-01 (electrostatic-local) +ETURN3= 1.512623E+01 WEIGHT= 1.687220D+00 (turns, 3rd order) +ETURN4= -2.021032E+00 WEIGHT= 6.623000D-01 (turns, 4th order) +ETURN6= 0.000000E+00 WEIGHT= 0.000000D+00 (turns, 6th order) +ESCCOR= 0.000000E+00 WEIGHT= 0.000000D+00 (backbone-rotamer corr) +EDIHC= 0.000000E+00 (dihedral angle constraints) +ESS= 0.000000E+00 (disulfide-bridge intrinsic energy) +UCONST= 0.000000E+00 (Constraint energy) +EDFAD= 5.491269-315 (DFA distance energy) +EDFAT= 6.953158-310 (DFA torsion energy) +EDFAN= 6.953158-310 (DFA NCa energy) +EDFAB= 2.650815-317 (DFA Beta energy) +ETOT= -8.557646E+01 (total) +RMS deviation from the reference structure: 4.777 + % of native contacts: 16.667 + % of nonnative contacts: 85.714 + contact order: 0.419 + TM-score with the reference structure: 0.31 +CG processor 0 is finishing work. + Total wall clock time 1.34375000000000 sec diff --git a/examples/unres/CSA/GAB/CSA/global/unrestrained/reminimize/1l2y_remini.out_GB001 b/examples/unres/CSA/GAB/CSA/global/unrestrained/reminimize/1l2y_remini.out_GB001 new file mode 100644 index 0000000..9567dea --- /dev/null +++ b/examples/unres/CSA/GAB/CSA/global/unrestrained/reminimize/1l2y_remini.out_GB001 @@ -0,0 +1,190 @@ +******************************************************************************** +United-residue force field calculation - parallel job. +******************************************************************************** + MPI: node= 1 iseed= -6119485 + ran_num 0.547506363186177 +RMSDBC = 3.0 +RMSDBC1 = 0.5 +RMSDBC1MAX = 1.5 +DRMS = 0.1 +RMSDBCM = 3.0 +Time limit (min): 960.0 + RESCALE_MODE 0 +Library routine used to diagonalize matrices. + +******************************************************************************** + Options in energy minimization: +******************************************************************************** +MaxMin: 2000 MaxFun: 3000MinMin: 2000 MinFun: 2000 TolF: 1.00000E-02 RTolF: 1.00000E-04 + +Energy-term weights (unscaled): + +WSCC= 1.352790 (SC-SC) +WSCP= 1.593040 (SC-p) +WELEC= 0.715340 (p-p electr) +WVDWPP= 0.113710 (p-p VDW) +WBOND= 1.000000 (stretching) +WANG= 1.138730 (bending) +WSCLOC= 0.162580 (SC local) +WTOR= 1.985990 (torsional) +WTORD= 1.570690 (double torsional) +WSTRAIN= 1.000000 (SS bridges & dist. cnstr.) +WEL_LOC= 0.160360 (multi-body 3-rd order) +WCORR4= 0.428870 (multi-body 4th order) +WCORR5= 0.000000 (multi-body 5th order) +WCORR6= 0.000000 (multi-body 6th order) +WSCCOR= 0.000000 (back-scloc correlation) +WTURN3= 1.687220 (turns, 3rd order) +WTURN4= 0.662300 (turns, 4th order) +WTURN6= 0.000000 (turns, 6th order) +WDFA_D= 0.000000 (DFA, distance) +WDFA_T= 0.000000 (DFA, torsional) +WDFA_N= 0.000000 (DFA, number of neighbor) +WDFA_B= 0.000000 (DFA, beta formation) + +Hydrogen-bonding correlation between contact pairs of peptide groups + +Scaling factor of 1,4 SC-p interactions: 0.400 +General scaling factor of SC-p interactions: 1.000 + +Energy-term weights (scaled): + +WSCC= 1.352790 (SC-SC) +WSCP= 1.593040 (SC-p) +WELEC= 0.715340 (p-p electr) +WVDWPP= 0.113710 (p-p VDW) +WBOND= 1.000000 (stretching) +WANG= 1.138730 (bending) +WSCLOC= 0.162580 (SC local) +WTOR= 1.985990 (torsional) +WTORD= 1.570690 (double torsional) +WSTRAIN= 1.000000 (SS bridges & dist. cnstr.) +WEL_LOC= 0.160360 (multi-body 3-rd order) +WCORR4= 0.428870 (multi-body 4th order) +WCORR5= 0.000000 (multi-body 5th order) +WCORR6= 0.000000 (multi-body 6th order) +WSCCOR= 0.000000 (back-scloc correlatkion) +WTURN3= 1.687220 (turns, 3rd order) +WTURN4= 0.662300 (turns, 4th order) +WTURN6= 0.000000 (turns, 6th order) +WDFA_D= 0.000000 (DFA, distance) +WDFA_T= 0.000000 (DFA, torsional) +WDFA_N= 0.000000 (DFA, number of neighbor) +WDFA_B= 0.000000 (DFA, beta formation) + Reference temperature for weights calculation: 300.000000000000 + Parameters of the SS-bond potential: + D0CM 3.78000000000000 AKCM 15.1000000000000 AKTH + 11.0000000000000 AKCT 12.0000000000000 + V1SS -1.08000000000000 V2SS 7.61000000000000 V3SS + 13.7000000000000 + EBR -5.50000000000000 +PDB data will be read from file 1l2y.pdb + Nres: 21 +Backbone and SC coordinates as read from the PDB + 1 21 D -9.841 4.399 -5.051 -9.841 4.399 -5.051 + 2 14 ASN -8.608 3.135 -1.618 -10.909 3.249 -2.846 + 3 5 LEU -4.923 4.002 -2.452 -4.502 6.849 -1.550 + 4 8 TYR -3.690 2.738 0.981 -1.959 3.143 3.797 + 5 4 ILE -5.857 -0.449 0.613 -7.910 -0.417 1.393 + 6 13 GLN -4.122 -1.167 -2.743 -5.540 -1.315 -5.233 + 7 7 TRP -0.716 -0.631 -0.993 1.727 0.440 1.450 + 8 5 LEU -1.641 -2.932 1.963 -2.262 -1.871 4.556 + 9 19 LYS -3.024 -5.791 -0.269 -3.820 -5.527 -3.146 + 10 16 ASP 0.466 -6.016 -1.905 0.653 -5.125 -3.676 + 11 10 GLY 2.060 -6.618 1.593 2.060 -6.618 1.593 + 12 10 GLY 2.626 -2.967 2.723 2.626 -2.967 2.723 + 13 20 PRO 6.333 -2.533 3.806 5.724 -2.372 5.058 + 14 12 SER 7.049 -6.179 2.704 6.757 -6.938 3.675 + 15 12 SER 6.389 -5.315 -1.015 5.245 -5.350 -1.546 + 16 10 GLY 9.451 -3.116 -1.870 9.451 -3.116 -1.870 + 17 18 ARG 7.289 0.084 -2.054 5.225 -1.826 -3.986 + 18 20 PRO 6.782 3.088 0.345 7.458 3.741 -0.688 + 19 20 PRO 3.287 4.031 1.686 4.025 4.206 2.856 + 20 20 PRO 1.185 6.543 -0.353 0.358 5.421 -0.430 + 21 12 SER 0.852 10.027 1.285 1.151 10.636 1.488 + 22 21 D -1.250 12.539 -0.754 -1.250 12.539 -0.754 +nsup= 20 nstart_sup= 2 + ITEL + 1 21 0 + 2 14 1 + 3 5 1 + 4 8 1 + 5 4 1 + 6 13 1 + 7 7 1 + 8 5 1 + 9 19 1 + 10 16 1 + 11 10 1 + 12 10 2 + 13 20 1 + 14 12 1 + 15 12 1 + 16 10 1 + 17 18 2 + 18 20 2 + 19 20 2 + 20 20 1 + 21 12 0 + ns= 0 iss: +nsup= 20 + nsup= 20 nstart_sup= 2 nstart_seq= 2 + NZ_START= 2 NZ_END= 21 + IZ_SC= 0 + Processor 0 CG group 0 absolute rank 1 nhpb + 0 link_start= 1 link_end 0 + Contact order: 0.337121212121212 + Shifting contacts: 2 2 + 1 TRP 7 TYR 4 + 2 LEU 8 TYR 4 + 3 LYS 9 GLN 6 + 4 GLY 12 TRP 7 + 5 GLY 12 LEU 8 + 6 SER 14 GLY 11 + 7 SER 15 ASP 10 + 8 SER 15 GLY 11 + 9 PRO 19 TRP 7 + 10 PRO 20 LEU 3 + 11 PRO 20 TYR 4 + 12 PRO 20 TRP 7 +intinname +1l2y_csa_GB000.int + +Geometry of the virtual chain. + Res d Theta Gamma Dsc Alpha Beta +D 1 0.000 0.000 0.000 0.000 0.000 0.000 +ASN 2 3.800 0.000 0.000 1.684 90.531 -178.452 +LEU 3 3.800 92.239 0.000 1.939 101.575 -78.530 +TYR 4 3.800 92.239 -180.000 2.484 163.195 -7.440 +ILE 5 3.800 90.357 45.849 1.776 148.228 -110.333 +GLN 6 3.800 89.090 55.194 2.240 164.593 -141.638 +TRP 7 3.800 88.657 49.396 2.605 123.650 -21.913 +LEU 8 3.800 93.032 48.298 1.939 156.202 -108.750 +LYS 9 3.800 94.826 46.843 2.541 106.974 -55.960 +ASP 10 3.800 87.966 59.623 1.709 153.447 -128.646 +GLY 11 3.800 89.908 56.679 0.000 0.000 0.000 +GLY 12 3.800 100.181 -87.304 0.000 0.000 0.000 +PRO 13 3.800 109.073 -127.499 1.345 101.771 -115.580 +SER 14 3.800 89.537 4.261 1.150 144.515 -129.218 +SER 15 3.800 91.815 66.108 1.150 161.047 -100.177 +GLY 16 3.800 101.784 70.140 0.000 0.000 0.000 +ARG 17 3.800 92.201 -108.949 3.020 139.846 -132.716 +PRO 18 3.800 133.225 103.824 1.345 115.610 -118.024 +PRO 19 3.800 121.502 -122.527 1.345 118.575 -122.417 +PRO 20 3.800 117.950 -90.285 1.345 118.959 -126.207 +SER 21 3.800 114.201 -108.328 1.150 128.925 -37.341 +D 22 3.800 114.201 180.000 0.000 0.000 0.000 + + +******************************************************************************** + Processor 1: end reading molecular data. +******************************************************************************** + + +Energy minimization of multiple conformations calculation. + +Conformations will be energy-minimized. +******************************************************************************** + +CG processor 1 is finishing work. + Total wall clock time 1.34765625000000 sec diff --git a/examples/unres/CSA/GAB/CSA/global/unrestrained/reminimize/1l2y_remini.out_GB002 b/examples/unres/CSA/GAB/CSA/global/unrestrained/reminimize/1l2y_remini.out_GB002 new file mode 100644 index 0000000..03c5f68 --- /dev/null +++ b/examples/unres/CSA/GAB/CSA/global/unrestrained/reminimize/1l2y_remini.out_GB002 @@ -0,0 +1,190 @@ +******************************************************************************** +United-residue force field calculation - parallel job. +******************************************************************************** + MPI: node= 2 iseed= -9179228 + ran_num 0.821258609038956 +RMSDBC = 3.0 +RMSDBC1 = 0.5 +RMSDBC1MAX = 1.5 +DRMS = 0.1 +RMSDBCM = 3.0 +Time limit (min): 960.0 + RESCALE_MODE 0 +Library routine used to diagonalize matrices. + +******************************************************************************** + Options in energy minimization: +******************************************************************************** +MaxMin: 2000 MaxFun: 3000MinMin: 2000 MinFun: 2000 TolF: 1.00000E-02 RTolF: 1.00000E-04 + +Energy-term weights (unscaled): + +WSCC= 1.352790 (SC-SC) +WSCP= 1.593040 (SC-p) +WELEC= 0.715340 (p-p electr) +WVDWPP= 0.113710 (p-p VDW) +WBOND= 1.000000 (stretching) +WANG= 1.138730 (bending) +WSCLOC= 0.162580 (SC local) +WTOR= 1.985990 (torsional) +WTORD= 1.570690 (double torsional) +WSTRAIN= 1.000000 (SS bridges & dist. cnstr.) +WEL_LOC= 0.160360 (multi-body 3-rd order) +WCORR4= 0.428870 (multi-body 4th order) +WCORR5= 0.000000 (multi-body 5th order) +WCORR6= 0.000000 (multi-body 6th order) +WSCCOR= 0.000000 (back-scloc correlation) +WTURN3= 1.687220 (turns, 3rd order) +WTURN4= 0.662300 (turns, 4th order) +WTURN6= 0.000000 (turns, 6th order) +WDFA_D= 0.000000 (DFA, distance) +WDFA_T= 0.000000 (DFA, torsional) +WDFA_N= 0.000000 (DFA, number of neighbor) +WDFA_B= 0.000000 (DFA, beta formation) + +Hydrogen-bonding correlation between contact pairs of peptide groups + +Scaling factor of 1,4 SC-p interactions: 0.400 +General scaling factor of SC-p interactions: 1.000 + +Energy-term weights (scaled): + +WSCC= 1.352790 (SC-SC) +WSCP= 1.593040 (SC-p) +WELEC= 0.715340 (p-p electr) +WVDWPP= 0.113710 (p-p VDW) +WBOND= 1.000000 (stretching) +WANG= 1.138730 (bending) +WSCLOC= 0.162580 (SC local) +WTOR= 1.985990 (torsional) +WTORD= 1.570690 (double torsional) +WSTRAIN= 1.000000 (SS bridges & dist. cnstr.) +WEL_LOC= 0.160360 (multi-body 3-rd order) +WCORR4= 0.428870 (multi-body 4th order) +WCORR5= 0.000000 (multi-body 5th order) +WCORR6= 0.000000 (multi-body 6th order) +WSCCOR= 0.000000 (back-scloc correlatkion) +WTURN3= 1.687220 (turns, 3rd order) +WTURN4= 0.662300 (turns, 4th order) +WTURN6= 0.000000 (turns, 6th order) +WDFA_D= 0.000000 (DFA, distance) +WDFA_T= 0.000000 (DFA, torsional) +WDFA_N= 0.000000 (DFA, number of neighbor) +WDFA_B= 0.000000 (DFA, beta formation) + Reference temperature for weights calculation: 300.000000000000 + Parameters of the SS-bond potential: + D0CM 3.78000000000000 AKCM 15.1000000000000 AKTH + 11.0000000000000 AKCT 12.0000000000000 + V1SS -1.08000000000000 V2SS 7.61000000000000 V3SS + 13.7000000000000 + EBR -5.50000000000000 +PDB data will be read from file 1l2y.pdb + Nres: 21 +Backbone and SC coordinates as read from the PDB + 1 21 D -9.841 4.399 -5.051 -9.841 4.399 -5.051 + 2 14 ASN -8.608 3.135 -1.618 -10.909 3.249 -2.846 + 3 5 LEU -4.923 4.002 -2.452 -4.502 6.849 -1.550 + 4 8 TYR -3.690 2.738 0.981 -1.959 3.143 3.797 + 5 4 ILE -5.857 -0.449 0.613 -7.910 -0.417 1.393 + 6 13 GLN -4.122 -1.167 -2.743 -5.540 -1.315 -5.233 + 7 7 TRP -0.716 -0.631 -0.993 1.727 0.440 1.450 + 8 5 LEU -1.641 -2.932 1.963 -2.262 -1.871 4.556 + 9 19 LYS -3.024 -5.791 -0.269 -3.820 -5.527 -3.146 + 10 16 ASP 0.466 -6.016 -1.905 0.653 -5.125 -3.676 + 11 10 GLY 2.060 -6.618 1.593 2.060 -6.618 1.593 + 12 10 GLY 2.626 -2.967 2.723 2.626 -2.967 2.723 + 13 20 PRO 6.333 -2.533 3.806 5.724 -2.372 5.058 + 14 12 SER 7.049 -6.179 2.704 6.757 -6.938 3.675 + 15 12 SER 6.389 -5.315 -1.015 5.245 -5.350 -1.546 + 16 10 GLY 9.451 -3.116 -1.870 9.451 -3.116 -1.870 + 17 18 ARG 7.289 0.084 -2.054 5.225 -1.826 -3.986 + 18 20 PRO 6.782 3.088 0.345 7.458 3.741 -0.688 + 19 20 PRO 3.287 4.031 1.686 4.025 4.206 2.856 + 20 20 PRO 1.185 6.543 -0.353 0.358 5.421 -0.430 + 21 12 SER 0.852 10.027 1.285 1.151 10.636 1.488 + 22 21 D -1.250 12.539 -0.754 -1.250 12.539 -0.754 +nsup= 20 nstart_sup= 2 + ITEL + 1 21 0 + 2 14 1 + 3 5 1 + 4 8 1 + 5 4 1 + 6 13 1 + 7 7 1 + 8 5 1 + 9 19 1 + 10 16 1 + 11 10 1 + 12 10 2 + 13 20 1 + 14 12 1 + 15 12 1 + 16 10 1 + 17 18 2 + 18 20 2 + 19 20 2 + 20 20 1 + 21 12 0 + ns= 0 iss: +nsup= 20 + nsup= 20 nstart_sup= 2 nstart_seq= 2 + NZ_START= 2 NZ_END= 21 + IZ_SC= 0 + Processor 0 CG group 0 absolute rank 2 nhpb + 0 link_start= 1 link_end 0 + Contact order: 0.337121212121212 + Shifting contacts: 2 2 + 1 TRP 7 TYR 4 + 2 LEU 8 TYR 4 + 3 LYS 9 GLN 6 + 4 GLY 12 TRP 7 + 5 GLY 12 LEU 8 + 6 SER 14 GLY 11 + 7 SER 15 ASP 10 + 8 SER 15 GLY 11 + 9 PRO 19 TRP 7 + 10 PRO 20 LEU 3 + 11 PRO 20 TYR 4 + 12 PRO 20 TRP 7 +intinname +1l2y_csa_GB000.int + +Geometry of the virtual chain. + Res d Theta Gamma Dsc Alpha Beta +D 1 0.000 0.000 0.000 0.000 0.000 0.000 +ASN 2 3.800 0.000 0.000 1.684 90.531 -178.452 +LEU 3 3.800 92.239 0.000 1.939 101.575 -78.530 +TYR 4 3.800 92.239 -180.000 2.484 163.195 -7.440 +ILE 5 3.800 90.357 45.849 1.776 148.228 -110.333 +GLN 6 3.800 89.090 55.194 2.240 164.593 -141.638 +TRP 7 3.800 88.657 49.396 2.605 123.650 -21.913 +LEU 8 3.800 93.032 48.298 1.939 156.202 -108.750 +LYS 9 3.800 94.826 46.843 2.541 106.974 -55.960 +ASP 10 3.800 87.966 59.623 1.709 153.447 -128.646 +GLY 11 3.800 89.908 56.679 0.000 0.000 0.000 +GLY 12 3.800 100.181 -87.304 0.000 0.000 0.000 +PRO 13 3.800 109.073 -127.499 1.345 101.771 -115.580 +SER 14 3.800 89.537 4.261 1.150 144.515 -129.218 +SER 15 3.800 91.815 66.108 1.150 161.047 -100.177 +GLY 16 3.800 101.784 70.140 0.000 0.000 0.000 +ARG 17 3.800 92.201 -108.949 3.020 139.846 -132.716 +PRO 18 3.800 133.225 103.824 1.345 115.610 -118.024 +PRO 19 3.800 121.502 -122.527 1.345 118.575 -122.417 +PRO 20 3.800 117.950 -90.285 1.345 118.959 -126.207 +SER 21 3.800 114.201 -108.328 1.150 128.925 -37.341 +D 22 3.800 114.201 180.000 0.000 0.000 0.000 + + +******************************************************************************** + Processor 2: end reading molecular data. +******************************************************************************** + + +Energy minimization of multiple conformations calculation. + +Conformations will be energy-minimized. +******************************************************************************** + +CG processor 2 is finishing work. + Total wall clock time 1.34375000000000 sec diff --git a/examples/unres/CSA/GAB/CSA/global/unrestrained/reminimize/1l2y_remini.out_GB003 b/examples/unres/CSA/GAB/CSA/global/unrestrained/reminimize/1l2y_remini.out_GB003 new file mode 100644 index 0000000..65adc0e --- /dev/null +++ b/examples/unres/CSA/GAB/CSA/global/unrestrained/reminimize/1l2y_remini.out_GB003 @@ -0,0 +1,190 @@ +******************************************************************************** +United-residue force field calculation - parallel job. +******************************************************************************** + MPI: node= 3 iseed= -12238971 + ran_num 9.501085489173544E-002 +RMSDBC = 3.0 +RMSDBC1 = 0.5 +RMSDBC1MAX = 1.5 +DRMS = 0.1 +RMSDBCM = 3.0 +Time limit (min): 960.0 + RESCALE_MODE 0 +Library routine used to diagonalize matrices. + +******************************************************************************** + Options in energy minimization: +******************************************************************************** +MaxMin: 2000 MaxFun: 3000MinMin: 2000 MinFun: 2000 TolF: 1.00000E-02 RTolF: 1.00000E-04 + +Energy-term weights (unscaled): + +WSCC= 1.352790 (SC-SC) +WSCP= 1.593040 (SC-p) +WELEC= 0.715340 (p-p electr) +WVDWPP= 0.113710 (p-p VDW) +WBOND= 1.000000 (stretching) +WANG= 1.138730 (bending) +WSCLOC= 0.162580 (SC local) +WTOR= 1.985990 (torsional) +WTORD= 1.570690 (double torsional) +WSTRAIN= 1.000000 (SS bridges & dist. cnstr.) +WEL_LOC= 0.160360 (multi-body 3-rd order) +WCORR4= 0.428870 (multi-body 4th order) +WCORR5= 0.000000 (multi-body 5th order) +WCORR6= 0.000000 (multi-body 6th order) +WSCCOR= 0.000000 (back-scloc correlation) +WTURN3= 1.687220 (turns, 3rd order) +WTURN4= 0.662300 (turns, 4th order) +WTURN6= 0.000000 (turns, 6th order) +WDFA_D= 0.000000 (DFA, distance) +WDFA_T= 0.000000 (DFA, torsional) +WDFA_N= 0.000000 (DFA, number of neighbor) +WDFA_B= 0.000000 (DFA, beta formation) + +Hydrogen-bonding correlation between contact pairs of peptide groups + +Scaling factor of 1,4 SC-p interactions: 0.400 +General scaling factor of SC-p interactions: 1.000 + +Energy-term weights (scaled): + +WSCC= 1.352790 (SC-SC) +WSCP= 1.593040 (SC-p) +WELEC= 0.715340 (p-p electr) +WVDWPP= 0.113710 (p-p VDW) +WBOND= 1.000000 (stretching) +WANG= 1.138730 (bending) +WSCLOC= 0.162580 (SC local) +WTOR= 1.985990 (torsional) +WTORD= 1.570690 (double torsional) +WSTRAIN= 1.000000 (SS bridges & dist. cnstr.) +WEL_LOC= 0.160360 (multi-body 3-rd order) +WCORR4= 0.428870 (multi-body 4th order) +WCORR5= 0.000000 (multi-body 5th order) +WCORR6= 0.000000 (multi-body 6th order) +WSCCOR= 0.000000 (back-scloc correlatkion) +WTURN3= 1.687220 (turns, 3rd order) +WTURN4= 0.662300 (turns, 4th order) +WTURN6= 0.000000 (turns, 6th order) +WDFA_D= 0.000000 (DFA, distance) +WDFA_T= 0.000000 (DFA, torsional) +WDFA_N= 0.000000 (DFA, number of neighbor) +WDFA_B= 0.000000 (DFA, beta formation) + Reference temperature for weights calculation: 300.000000000000 + Parameters of the SS-bond potential: + D0CM 3.78000000000000 AKCM 15.1000000000000 AKTH + 11.0000000000000 AKCT 12.0000000000000 + V1SS -1.08000000000000 V2SS 7.61000000000000 V3SS + 13.7000000000000 + EBR -5.50000000000000 +PDB data will be read from file 1l2y.pdb + Nres: 21 +Backbone and SC coordinates as read from the PDB + 1 21 D -9.841 4.399 -5.051 -9.841 4.399 -5.051 + 2 14 ASN -8.608 3.135 -1.618 -10.909 3.249 -2.846 + 3 5 LEU -4.923 4.002 -2.452 -4.502 6.849 -1.550 + 4 8 TYR -3.690 2.738 0.981 -1.959 3.143 3.797 + 5 4 ILE -5.857 -0.449 0.613 -7.910 -0.417 1.393 + 6 13 GLN -4.122 -1.167 -2.743 -5.540 -1.315 -5.233 + 7 7 TRP -0.716 -0.631 -0.993 1.727 0.440 1.450 + 8 5 LEU -1.641 -2.932 1.963 -2.262 -1.871 4.556 + 9 19 LYS -3.024 -5.791 -0.269 -3.820 -5.527 -3.146 + 10 16 ASP 0.466 -6.016 -1.905 0.653 -5.125 -3.676 + 11 10 GLY 2.060 -6.618 1.593 2.060 -6.618 1.593 + 12 10 GLY 2.626 -2.967 2.723 2.626 -2.967 2.723 + 13 20 PRO 6.333 -2.533 3.806 5.724 -2.372 5.058 + 14 12 SER 7.049 -6.179 2.704 6.757 -6.938 3.675 + 15 12 SER 6.389 -5.315 -1.015 5.245 -5.350 -1.546 + 16 10 GLY 9.451 -3.116 -1.870 9.451 -3.116 -1.870 + 17 18 ARG 7.289 0.084 -2.054 5.225 -1.826 -3.986 + 18 20 PRO 6.782 3.088 0.345 7.458 3.741 -0.688 + 19 20 PRO 3.287 4.031 1.686 4.025 4.206 2.856 + 20 20 PRO 1.185 6.543 -0.353 0.358 5.421 -0.430 + 21 12 SER 0.852 10.027 1.285 1.151 10.636 1.488 + 22 21 D -1.250 12.539 -0.754 -1.250 12.539 -0.754 +nsup= 20 nstart_sup= 2 + ITEL + 1 21 0 + 2 14 1 + 3 5 1 + 4 8 1 + 5 4 1 + 6 13 1 + 7 7 1 + 8 5 1 + 9 19 1 + 10 16 1 + 11 10 1 + 12 10 2 + 13 20 1 + 14 12 1 + 15 12 1 + 16 10 1 + 17 18 2 + 18 20 2 + 19 20 2 + 20 20 1 + 21 12 0 + ns= 0 iss: +nsup= 20 + nsup= 20 nstart_sup= 2 nstart_seq= 2 + NZ_START= 2 NZ_END= 21 + IZ_SC= 0 + Processor 0 CG group 0 absolute rank 3 nhpb + 0 link_start= 1 link_end 0 + Contact order: 0.337121212121212 + Shifting contacts: 2 2 + 1 TRP 7 TYR 4 + 2 LEU 8 TYR 4 + 3 LYS 9 GLN 6 + 4 GLY 12 TRP 7 + 5 GLY 12 LEU 8 + 6 SER 14 GLY 11 + 7 SER 15 ASP 10 + 8 SER 15 GLY 11 + 9 PRO 19 TRP 7 + 10 PRO 20 LEU 3 + 11 PRO 20 TYR 4 + 12 PRO 20 TRP 7 +intinname +1l2y_csa_GB000.int + +Geometry of the virtual chain. + Res d Theta Gamma Dsc Alpha Beta +D 1 0.000 0.000 0.000 0.000 0.000 0.000 +ASN 2 3.800 0.000 0.000 1.684 90.531 -178.452 +LEU 3 3.800 92.239 0.000 1.939 101.575 -78.530 +TYR 4 3.800 92.239 -180.000 2.484 163.195 -7.440 +ILE 5 3.800 90.357 45.849 1.776 148.228 -110.333 +GLN 6 3.800 89.090 55.194 2.240 164.593 -141.638 +TRP 7 3.800 88.657 49.396 2.605 123.650 -21.913 +LEU 8 3.800 93.032 48.298 1.939 156.202 -108.750 +LYS 9 3.800 94.826 46.843 2.541 106.974 -55.960 +ASP 10 3.800 87.966 59.623 1.709 153.447 -128.646 +GLY 11 3.800 89.908 56.679 0.000 0.000 0.000 +GLY 12 3.800 100.181 -87.304 0.000 0.000 0.000 +PRO 13 3.800 109.073 -127.499 1.345 101.771 -115.580 +SER 14 3.800 89.537 4.261 1.150 144.515 -129.218 +SER 15 3.800 91.815 66.108 1.150 161.047 -100.177 +GLY 16 3.800 101.784 70.140 0.000 0.000 0.000 +ARG 17 3.800 92.201 -108.949 3.020 139.846 -132.716 +PRO 18 3.800 133.225 103.824 1.345 115.610 -118.024 +PRO 19 3.800 121.502 -122.527 1.345 118.575 -122.417 +PRO 20 3.800 117.950 -90.285 1.345 118.959 -126.207 +SER 21 3.800 114.201 -108.328 1.150 128.925 -37.341 +D 22 3.800 114.201 180.000 0.000 0.000 0.000 + + +******************************************************************************** + Processor 3: end reading molecular data. +******************************************************************************** + + +Energy minimization of multiple conformations calculation. + +Conformations will be energy-minimized. +******************************************************************************** + +CG processor 3 is finishing work. + Total wall clock time 1.34375000000000 sec diff --git a/examples/unres/CSA/GAB/CSA/global/unrestrained/reminimize/1l2y_remini.out_GB004 b/examples/unres/CSA/GAB/CSA/global/unrestrained/reminimize/1l2y_remini.out_GB004 new file mode 100644 index 0000000..9462e3a --- /dev/null +++ b/examples/unres/CSA/GAB/CSA/global/unrestrained/reminimize/1l2y_remini.out_GB004 @@ -0,0 +1,190 @@ +******************************************************************************** +United-residue force field calculation - parallel job. +******************************************************************************** + MPI: node= 4 iseed= -15298714 + ran_num 0.368763100744515 +RMSDBC = 3.0 +RMSDBC1 = 0.5 +RMSDBC1MAX = 1.5 +DRMS = 0.1 +RMSDBCM = 3.0 +Time limit (min): 960.0 + RESCALE_MODE 0 +Library routine used to diagonalize matrices. + +******************************************************************************** + Options in energy minimization: +******************************************************************************** +MaxMin: 2000 MaxFun: 3000MinMin: 2000 MinFun: 2000 TolF: 1.00000E-02 RTolF: 1.00000E-04 + +Energy-term weights (unscaled): + +WSCC= 1.352790 (SC-SC) +WSCP= 1.593040 (SC-p) +WELEC= 0.715340 (p-p electr) +WVDWPP= 0.113710 (p-p VDW) +WBOND= 1.000000 (stretching) +WANG= 1.138730 (bending) +WSCLOC= 0.162580 (SC local) +WTOR= 1.985990 (torsional) +WTORD= 1.570690 (double torsional) +WSTRAIN= 1.000000 (SS bridges & dist. cnstr.) +WEL_LOC= 0.160360 (multi-body 3-rd order) +WCORR4= 0.428870 (multi-body 4th order) +WCORR5= 0.000000 (multi-body 5th order) +WCORR6= 0.000000 (multi-body 6th order) +WSCCOR= 0.000000 (back-scloc correlation) +WTURN3= 1.687220 (turns, 3rd order) +WTURN4= 0.662300 (turns, 4th order) +WTURN6= 0.000000 (turns, 6th order) +WDFA_D= 0.000000 (DFA, distance) +WDFA_T= 0.000000 (DFA, torsional) +WDFA_N= 0.000000 (DFA, number of neighbor) +WDFA_B= 0.000000 (DFA, beta formation) + +Hydrogen-bonding correlation between contact pairs of peptide groups + +Scaling factor of 1,4 SC-p interactions: 0.400 +General scaling factor of SC-p interactions: 1.000 + +Energy-term weights (scaled): + +WSCC= 1.352790 (SC-SC) +WSCP= 1.593040 (SC-p) +WELEC= 0.715340 (p-p electr) +WVDWPP= 0.113710 (p-p VDW) +WBOND= 1.000000 (stretching) +WANG= 1.138730 (bending) +WSCLOC= 0.162580 (SC local) +WTOR= 1.985990 (torsional) +WTORD= 1.570690 (double torsional) +WSTRAIN= 1.000000 (SS bridges & dist. cnstr.) +WEL_LOC= 0.160360 (multi-body 3-rd order) +WCORR4= 0.428870 (multi-body 4th order) +WCORR5= 0.000000 (multi-body 5th order) +WCORR6= 0.000000 (multi-body 6th order) +WSCCOR= 0.000000 (back-scloc correlatkion) +WTURN3= 1.687220 (turns, 3rd order) +WTURN4= 0.662300 (turns, 4th order) +WTURN6= 0.000000 (turns, 6th order) +WDFA_D= 0.000000 (DFA, distance) +WDFA_T= 0.000000 (DFA, torsional) +WDFA_N= 0.000000 (DFA, number of neighbor) +WDFA_B= 0.000000 (DFA, beta formation) + Reference temperature for weights calculation: 300.000000000000 + Parameters of the SS-bond potential: + D0CM 3.78000000000000 AKCM 15.1000000000000 AKTH + 11.0000000000000 AKCT 12.0000000000000 + V1SS -1.08000000000000 V2SS 7.61000000000000 V3SS + 13.7000000000000 + EBR -5.50000000000000 +PDB data will be read from file 1l2y.pdb + Nres: 21 +Backbone and SC coordinates as read from the PDB + 1 21 D -9.841 4.399 -5.051 -9.841 4.399 -5.051 + 2 14 ASN -8.608 3.135 -1.618 -10.909 3.249 -2.846 + 3 5 LEU -4.923 4.002 -2.452 -4.502 6.849 -1.550 + 4 8 TYR -3.690 2.738 0.981 -1.959 3.143 3.797 + 5 4 ILE -5.857 -0.449 0.613 -7.910 -0.417 1.393 + 6 13 GLN -4.122 -1.167 -2.743 -5.540 -1.315 -5.233 + 7 7 TRP -0.716 -0.631 -0.993 1.727 0.440 1.450 + 8 5 LEU -1.641 -2.932 1.963 -2.262 -1.871 4.556 + 9 19 LYS -3.024 -5.791 -0.269 -3.820 -5.527 -3.146 + 10 16 ASP 0.466 -6.016 -1.905 0.653 -5.125 -3.676 + 11 10 GLY 2.060 -6.618 1.593 2.060 -6.618 1.593 + 12 10 GLY 2.626 -2.967 2.723 2.626 -2.967 2.723 + 13 20 PRO 6.333 -2.533 3.806 5.724 -2.372 5.058 + 14 12 SER 7.049 -6.179 2.704 6.757 -6.938 3.675 + 15 12 SER 6.389 -5.315 -1.015 5.245 -5.350 -1.546 + 16 10 GLY 9.451 -3.116 -1.870 9.451 -3.116 -1.870 + 17 18 ARG 7.289 0.084 -2.054 5.225 -1.826 -3.986 + 18 20 PRO 6.782 3.088 0.345 7.458 3.741 -0.688 + 19 20 PRO 3.287 4.031 1.686 4.025 4.206 2.856 + 20 20 PRO 1.185 6.543 -0.353 0.358 5.421 -0.430 + 21 12 SER 0.852 10.027 1.285 1.151 10.636 1.488 + 22 21 D -1.250 12.539 -0.754 -1.250 12.539 -0.754 +nsup= 20 nstart_sup= 2 + ITEL + 1 21 0 + 2 14 1 + 3 5 1 + 4 8 1 + 5 4 1 + 6 13 1 + 7 7 1 + 8 5 1 + 9 19 1 + 10 16 1 + 11 10 1 + 12 10 2 + 13 20 1 + 14 12 1 + 15 12 1 + 16 10 1 + 17 18 2 + 18 20 2 + 19 20 2 + 20 20 1 + 21 12 0 + ns= 0 iss: +nsup= 20 + nsup= 20 nstart_sup= 2 nstart_seq= 2 + NZ_START= 2 NZ_END= 21 + IZ_SC= 0 + Processor 0 CG group 0 absolute rank 4 nhpb + 0 link_start= 1 link_end 0 + Contact order: 0.337121212121212 + Shifting contacts: 2 2 + 1 TRP 7 TYR 4 + 2 LEU 8 TYR 4 + 3 LYS 9 GLN 6 + 4 GLY 12 TRP 7 + 5 GLY 12 LEU 8 + 6 SER 14 GLY 11 + 7 SER 15 ASP 10 + 8 SER 15 GLY 11 + 9 PRO 19 TRP 7 + 10 PRO 20 LEU 3 + 11 PRO 20 TYR 4 + 12 PRO 20 TRP 7 +intinname +1l2y_csa_GB000.int + +Geometry of the virtual chain. + Res d Theta Gamma Dsc Alpha Beta +D 1 0.000 0.000 0.000 0.000 0.000 0.000 +ASN 2 3.800 0.000 0.000 1.684 90.531 -178.452 +LEU 3 3.800 92.239 0.000 1.939 101.575 -78.530 +TYR 4 3.800 92.239 -180.000 2.484 163.195 -7.440 +ILE 5 3.800 90.357 45.849 1.776 148.228 -110.333 +GLN 6 3.800 89.090 55.194 2.240 164.593 -141.638 +TRP 7 3.800 88.657 49.396 2.605 123.650 -21.913 +LEU 8 3.800 93.032 48.298 1.939 156.202 -108.750 +LYS 9 3.800 94.826 46.843 2.541 106.974 -55.960 +ASP 10 3.800 87.966 59.623 1.709 153.447 -128.646 +GLY 11 3.800 89.908 56.679 0.000 0.000 0.000 +GLY 12 3.800 100.181 -87.304 0.000 0.000 0.000 +PRO 13 3.800 109.073 -127.499 1.345 101.771 -115.580 +SER 14 3.800 89.537 4.261 1.150 144.515 -129.218 +SER 15 3.800 91.815 66.108 1.150 161.047 -100.177 +GLY 16 3.800 101.784 70.140 0.000 0.000 0.000 +ARG 17 3.800 92.201 -108.949 3.020 139.846 -132.716 +PRO 18 3.800 133.225 103.824 1.345 115.610 -118.024 +PRO 19 3.800 121.502 -122.527 1.345 118.575 -122.417 +PRO 20 3.800 117.950 -90.285 1.345 118.959 -126.207 +SER 21 3.800 114.201 -108.328 1.150 128.925 -37.341 +D 22 3.800 114.201 180.000 0.000 0.000 0.000 + + +******************************************************************************** + Processor 4: end reading molecular data. +******************************************************************************** + + +Energy minimization of multiple conformations calculation. + +Conformations will be energy-minimized. +******************************************************************************** + +CG processor 4 is finishing work. + Total wall clock time 1.34765625000000 sec diff --git a/examples/unres/CSA/GAB/CSA/global/unrestrained/reminimize/1l2y_remini.out_GB005 b/examples/unres/CSA/GAB/CSA/global/unrestrained/reminimize/1l2y_remini.out_GB005 new file mode 100644 index 0000000..11f52a6 --- /dev/null +++ b/examples/unres/CSA/GAB/CSA/global/unrestrained/reminimize/1l2y_remini.out_GB005 @@ -0,0 +1,190 @@ +******************************************************************************** +United-residue force field calculation - parallel job. +******************************************************************************** + MPI: node= 5 iseed= -18358457 + ran_num 0.642515346597294 +RMSDBC = 3.0 +RMSDBC1 = 0.5 +RMSDBC1MAX = 1.5 +DRMS = 0.1 +RMSDBCM = 3.0 +Time limit (min): 960.0 + RESCALE_MODE 0 +Library routine used to diagonalize matrices. + +******************************************************************************** + Options in energy minimization: +******************************************************************************** +MaxMin: 2000 MaxFun: 3000MinMin: 2000 MinFun: 2000 TolF: 1.00000E-02 RTolF: 1.00000E-04 + +Energy-term weights (unscaled): + +WSCC= 1.352790 (SC-SC) +WSCP= 1.593040 (SC-p) +WELEC= 0.715340 (p-p electr) +WVDWPP= 0.113710 (p-p VDW) +WBOND= 1.000000 (stretching) +WANG= 1.138730 (bending) +WSCLOC= 0.162580 (SC local) +WTOR= 1.985990 (torsional) +WTORD= 1.570690 (double torsional) +WSTRAIN= 1.000000 (SS bridges & dist. cnstr.) +WEL_LOC= 0.160360 (multi-body 3-rd order) +WCORR4= 0.428870 (multi-body 4th order) +WCORR5= 0.000000 (multi-body 5th order) +WCORR6= 0.000000 (multi-body 6th order) +WSCCOR= 0.000000 (back-scloc correlation) +WTURN3= 1.687220 (turns, 3rd order) +WTURN4= 0.662300 (turns, 4th order) +WTURN6= 0.000000 (turns, 6th order) +WDFA_D= 0.000000 (DFA, distance) +WDFA_T= 0.000000 (DFA, torsional) +WDFA_N= 0.000000 (DFA, number of neighbor) +WDFA_B= 0.000000 (DFA, beta formation) + +Hydrogen-bonding correlation between contact pairs of peptide groups + +Scaling factor of 1,4 SC-p interactions: 0.400 +General scaling factor of SC-p interactions: 1.000 + +Energy-term weights (scaled): + +WSCC= 1.352790 (SC-SC) +WSCP= 1.593040 (SC-p) +WELEC= 0.715340 (p-p electr) +WVDWPP= 0.113710 (p-p VDW) +WBOND= 1.000000 (stretching) +WANG= 1.138730 (bending) +WSCLOC= 0.162580 (SC local) +WTOR= 1.985990 (torsional) +WTORD= 1.570690 (double torsional) +WSTRAIN= 1.000000 (SS bridges & dist. cnstr.) +WEL_LOC= 0.160360 (multi-body 3-rd order) +WCORR4= 0.428870 (multi-body 4th order) +WCORR5= 0.000000 (multi-body 5th order) +WCORR6= 0.000000 (multi-body 6th order) +WSCCOR= 0.000000 (back-scloc correlatkion) +WTURN3= 1.687220 (turns, 3rd order) +WTURN4= 0.662300 (turns, 4th order) +WTURN6= 0.000000 (turns, 6th order) +WDFA_D= 0.000000 (DFA, distance) +WDFA_T= 0.000000 (DFA, torsional) +WDFA_N= 0.000000 (DFA, number of neighbor) +WDFA_B= 0.000000 (DFA, beta formation) + Reference temperature for weights calculation: 300.000000000000 + Parameters of the SS-bond potential: + D0CM 3.78000000000000 AKCM 15.1000000000000 AKTH + 11.0000000000000 AKCT 12.0000000000000 + V1SS -1.08000000000000 V2SS 7.61000000000000 V3SS + 13.7000000000000 + EBR -5.50000000000000 +PDB data will be read from file 1l2y.pdb + Nres: 21 +Backbone and SC coordinates as read from the PDB + 1 21 D -9.841 4.399 -5.051 -9.841 4.399 -5.051 + 2 14 ASN -8.608 3.135 -1.618 -10.909 3.249 -2.846 + 3 5 LEU -4.923 4.002 -2.452 -4.502 6.849 -1.550 + 4 8 TYR -3.690 2.738 0.981 -1.959 3.143 3.797 + 5 4 ILE -5.857 -0.449 0.613 -7.910 -0.417 1.393 + 6 13 GLN -4.122 -1.167 -2.743 -5.540 -1.315 -5.233 + 7 7 TRP -0.716 -0.631 -0.993 1.727 0.440 1.450 + 8 5 LEU -1.641 -2.932 1.963 -2.262 -1.871 4.556 + 9 19 LYS -3.024 -5.791 -0.269 -3.820 -5.527 -3.146 + 10 16 ASP 0.466 -6.016 -1.905 0.653 -5.125 -3.676 + 11 10 GLY 2.060 -6.618 1.593 2.060 -6.618 1.593 + 12 10 GLY 2.626 -2.967 2.723 2.626 -2.967 2.723 + 13 20 PRO 6.333 -2.533 3.806 5.724 -2.372 5.058 + 14 12 SER 7.049 -6.179 2.704 6.757 -6.938 3.675 + 15 12 SER 6.389 -5.315 -1.015 5.245 -5.350 -1.546 + 16 10 GLY 9.451 -3.116 -1.870 9.451 -3.116 -1.870 + 17 18 ARG 7.289 0.084 -2.054 5.225 -1.826 -3.986 + 18 20 PRO 6.782 3.088 0.345 7.458 3.741 -0.688 + 19 20 PRO 3.287 4.031 1.686 4.025 4.206 2.856 + 20 20 PRO 1.185 6.543 -0.353 0.358 5.421 -0.430 + 21 12 SER 0.852 10.027 1.285 1.151 10.636 1.488 + 22 21 D -1.250 12.539 -0.754 -1.250 12.539 -0.754 +nsup= 20 nstart_sup= 2 + ITEL + 1 21 0 + 2 14 1 + 3 5 1 + 4 8 1 + 5 4 1 + 6 13 1 + 7 7 1 + 8 5 1 + 9 19 1 + 10 16 1 + 11 10 1 + 12 10 2 + 13 20 1 + 14 12 1 + 15 12 1 + 16 10 1 + 17 18 2 + 18 20 2 + 19 20 2 + 20 20 1 + 21 12 0 + ns= 0 iss: +nsup= 20 + nsup= 20 nstart_sup= 2 nstart_seq= 2 + NZ_START= 2 NZ_END= 21 + IZ_SC= 0 + Processor 0 CG group 0 absolute rank 5 nhpb + 0 link_start= 1 link_end 0 + Contact order: 0.337121212121212 + Shifting contacts: 2 2 + 1 TRP 7 TYR 4 + 2 LEU 8 TYR 4 + 3 LYS 9 GLN 6 + 4 GLY 12 TRP 7 + 5 GLY 12 LEU 8 + 6 SER 14 GLY 11 + 7 SER 15 ASP 10 + 8 SER 15 GLY 11 + 9 PRO 19 TRP 7 + 10 PRO 20 LEU 3 + 11 PRO 20 TYR 4 + 12 PRO 20 TRP 7 +intinname +1l2y_csa_GB000.int + +Geometry of the virtual chain. + Res d Theta Gamma Dsc Alpha Beta +D 1 0.000 0.000 0.000 0.000 0.000 0.000 +ASN 2 3.800 0.000 0.000 1.684 90.531 -178.452 +LEU 3 3.800 92.239 0.000 1.939 101.575 -78.530 +TYR 4 3.800 92.239 -180.000 2.484 163.195 -7.440 +ILE 5 3.800 90.357 45.849 1.776 148.228 -110.333 +GLN 6 3.800 89.090 55.194 2.240 164.593 -141.638 +TRP 7 3.800 88.657 49.396 2.605 123.650 -21.913 +LEU 8 3.800 93.032 48.298 1.939 156.202 -108.750 +LYS 9 3.800 94.826 46.843 2.541 106.974 -55.960 +ASP 10 3.800 87.966 59.623 1.709 153.447 -128.646 +GLY 11 3.800 89.908 56.679 0.000 0.000 0.000 +GLY 12 3.800 100.181 -87.304 0.000 0.000 0.000 +PRO 13 3.800 109.073 -127.499 1.345 101.771 -115.580 +SER 14 3.800 89.537 4.261 1.150 144.515 -129.218 +SER 15 3.800 91.815 66.108 1.150 161.047 -100.177 +GLY 16 3.800 101.784 70.140 0.000 0.000 0.000 +ARG 17 3.800 92.201 -108.949 3.020 139.846 -132.716 +PRO 18 3.800 133.225 103.824 1.345 115.610 -118.024 +PRO 19 3.800 121.502 -122.527 1.345 118.575 -122.417 +PRO 20 3.800 117.950 -90.285 1.345 118.959 -126.207 +SER 21 3.800 114.201 -108.328 1.150 128.925 -37.341 +D 22 3.800 114.201 180.000 0.000 0.000 0.000 + + +******************************************************************************** + Processor 5: end reading molecular data. +******************************************************************************** + + +Energy minimization of multiple conformations calculation. + +Conformations will be energy-minimized. +******************************************************************************** + +CG processor 5 is finishing work. + Total wall clock time 1.33984375000000 sec diff --git a/examples/unres/CSA/GAB/CSA/global/unrestrained/reminimize/1l2y_remini.out_GB006 b/examples/unres/CSA/GAB/CSA/global/unrestrained/reminimize/1l2y_remini.out_GB006 new file mode 100644 index 0000000..d9733f6 --- /dev/null +++ b/examples/unres/CSA/GAB/CSA/global/unrestrained/reminimize/1l2y_remini.out_GB006 @@ -0,0 +1,190 @@ +******************************************************************************** +United-residue force field calculation - parallel job. +******************************************************************************** + MPI: node= 6 iseed= -21418200 + ran_num 0.916267592450074 +RMSDBC = 3.0 +RMSDBC1 = 0.5 +RMSDBC1MAX = 1.5 +DRMS = 0.1 +RMSDBCM = 3.0 +Time limit (min): 960.0 + RESCALE_MODE 0 +Library routine used to diagonalize matrices. + +******************************************************************************** + Options in energy minimization: +******************************************************************************** +MaxMin: 2000 MaxFun: 3000MinMin: 2000 MinFun: 2000 TolF: 1.00000E-02 RTolF: 1.00000E-04 + +Energy-term weights (unscaled): + +WSCC= 1.352790 (SC-SC) +WSCP= 1.593040 (SC-p) +WELEC= 0.715340 (p-p electr) +WVDWPP= 0.113710 (p-p VDW) +WBOND= 1.000000 (stretching) +WANG= 1.138730 (bending) +WSCLOC= 0.162580 (SC local) +WTOR= 1.985990 (torsional) +WTORD= 1.570690 (double torsional) +WSTRAIN= 1.000000 (SS bridges & dist. cnstr.) +WEL_LOC= 0.160360 (multi-body 3-rd order) +WCORR4= 0.428870 (multi-body 4th order) +WCORR5= 0.000000 (multi-body 5th order) +WCORR6= 0.000000 (multi-body 6th order) +WSCCOR= 0.000000 (back-scloc correlation) +WTURN3= 1.687220 (turns, 3rd order) +WTURN4= 0.662300 (turns, 4th order) +WTURN6= 0.000000 (turns, 6th order) +WDFA_D= 0.000000 (DFA, distance) +WDFA_T= 0.000000 (DFA, torsional) +WDFA_N= 0.000000 (DFA, number of neighbor) +WDFA_B= 0.000000 (DFA, beta formation) + +Hydrogen-bonding correlation between contact pairs of peptide groups + +Scaling factor of 1,4 SC-p interactions: 0.400 +General scaling factor of SC-p interactions: 1.000 + +Energy-term weights (scaled): + +WSCC= 1.352790 (SC-SC) +WSCP= 1.593040 (SC-p) +WELEC= 0.715340 (p-p electr) +WVDWPP= 0.113710 (p-p VDW) +WBOND= 1.000000 (stretching) +WANG= 1.138730 (bending) +WSCLOC= 0.162580 (SC local) +WTOR= 1.985990 (torsional) +WTORD= 1.570690 (double torsional) +WSTRAIN= 1.000000 (SS bridges & dist. cnstr.) +WEL_LOC= 0.160360 (multi-body 3-rd order) +WCORR4= 0.428870 (multi-body 4th order) +WCORR5= 0.000000 (multi-body 5th order) +WCORR6= 0.000000 (multi-body 6th order) +WSCCOR= 0.000000 (back-scloc correlatkion) +WTURN3= 1.687220 (turns, 3rd order) +WTURN4= 0.662300 (turns, 4th order) +WTURN6= 0.000000 (turns, 6th order) +WDFA_D= 0.000000 (DFA, distance) +WDFA_T= 0.000000 (DFA, torsional) +WDFA_N= 0.000000 (DFA, number of neighbor) +WDFA_B= 0.000000 (DFA, beta formation) + Reference temperature for weights calculation: 300.000000000000 + Parameters of the SS-bond potential: + D0CM 3.78000000000000 AKCM 15.1000000000000 AKTH + 11.0000000000000 AKCT 12.0000000000000 + V1SS -1.08000000000000 V2SS 7.61000000000000 V3SS + 13.7000000000000 + EBR -5.50000000000000 +PDB data will be read from file 1l2y.pdb + Nres: 21 +Backbone and SC coordinates as read from the PDB + 1 21 D -9.841 4.399 -5.051 -9.841 4.399 -5.051 + 2 14 ASN -8.608 3.135 -1.618 -10.909 3.249 -2.846 + 3 5 LEU -4.923 4.002 -2.452 -4.502 6.849 -1.550 + 4 8 TYR -3.690 2.738 0.981 -1.959 3.143 3.797 + 5 4 ILE -5.857 -0.449 0.613 -7.910 -0.417 1.393 + 6 13 GLN -4.122 -1.167 -2.743 -5.540 -1.315 -5.233 + 7 7 TRP -0.716 -0.631 -0.993 1.727 0.440 1.450 + 8 5 LEU -1.641 -2.932 1.963 -2.262 -1.871 4.556 + 9 19 LYS -3.024 -5.791 -0.269 -3.820 -5.527 -3.146 + 10 16 ASP 0.466 -6.016 -1.905 0.653 -5.125 -3.676 + 11 10 GLY 2.060 -6.618 1.593 2.060 -6.618 1.593 + 12 10 GLY 2.626 -2.967 2.723 2.626 -2.967 2.723 + 13 20 PRO 6.333 -2.533 3.806 5.724 -2.372 5.058 + 14 12 SER 7.049 -6.179 2.704 6.757 -6.938 3.675 + 15 12 SER 6.389 -5.315 -1.015 5.245 -5.350 -1.546 + 16 10 GLY 9.451 -3.116 -1.870 9.451 -3.116 -1.870 + 17 18 ARG 7.289 0.084 -2.054 5.225 -1.826 -3.986 + 18 20 PRO 6.782 3.088 0.345 7.458 3.741 -0.688 + 19 20 PRO 3.287 4.031 1.686 4.025 4.206 2.856 + 20 20 PRO 1.185 6.543 -0.353 0.358 5.421 -0.430 + 21 12 SER 0.852 10.027 1.285 1.151 10.636 1.488 + 22 21 D -1.250 12.539 -0.754 -1.250 12.539 -0.754 +nsup= 20 nstart_sup= 2 + ITEL + 1 21 0 + 2 14 1 + 3 5 1 + 4 8 1 + 5 4 1 + 6 13 1 + 7 7 1 + 8 5 1 + 9 19 1 + 10 16 1 + 11 10 1 + 12 10 2 + 13 20 1 + 14 12 1 + 15 12 1 + 16 10 1 + 17 18 2 + 18 20 2 + 19 20 2 + 20 20 1 + 21 12 0 + ns= 0 iss: +nsup= 20 + nsup= 20 nstart_sup= 2 nstart_seq= 2 + NZ_START= 2 NZ_END= 21 + IZ_SC= 0 + Processor 0 CG group 0 absolute rank 6 nhpb + 0 link_start= 1 link_end 0 + Contact order: 0.337121212121212 + Shifting contacts: 2 2 + 1 TRP 7 TYR 4 + 2 LEU 8 TYR 4 + 3 LYS 9 GLN 6 + 4 GLY 12 TRP 7 + 5 GLY 12 LEU 8 + 6 SER 14 GLY 11 + 7 SER 15 ASP 10 + 8 SER 15 GLY 11 + 9 PRO 19 TRP 7 + 10 PRO 20 LEU 3 + 11 PRO 20 TYR 4 + 12 PRO 20 TRP 7 +intinname +1l2y_csa_GB000.int + +Geometry of the virtual chain. + Res d Theta Gamma Dsc Alpha Beta +D 1 0.000 0.000 0.000 0.000 0.000 0.000 +ASN 2 3.800 0.000 0.000 1.684 90.531 -178.452 +LEU 3 3.800 92.239 0.000 1.939 101.575 -78.530 +TYR 4 3.800 92.239 -180.000 2.484 163.195 -7.440 +ILE 5 3.800 90.357 45.849 1.776 148.228 -110.333 +GLN 6 3.800 89.090 55.194 2.240 164.593 -141.638 +TRP 7 3.800 88.657 49.396 2.605 123.650 -21.913 +LEU 8 3.800 93.032 48.298 1.939 156.202 -108.750 +LYS 9 3.800 94.826 46.843 2.541 106.974 -55.960 +ASP 10 3.800 87.966 59.623 1.709 153.447 -128.646 +GLY 11 3.800 89.908 56.679 0.000 0.000 0.000 +GLY 12 3.800 100.181 -87.304 0.000 0.000 0.000 +PRO 13 3.800 109.073 -127.499 1.345 101.771 -115.580 +SER 14 3.800 89.537 4.261 1.150 144.515 -129.218 +SER 15 3.800 91.815 66.108 1.150 161.047 -100.177 +GLY 16 3.800 101.784 70.140 0.000 0.000 0.000 +ARG 17 3.800 92.201 -108.949 3.020 139.846 -132.716 +PRO 18 3.800 133.225 103.824 1.345 115.610 -118.024 +PRO 19 3.800 121.502 -122.527 1.345 118.575 -122.417 +PRO 20 3.800 117.950 -90.285 1.345 118.959 -126.207 +SER 21 3.800 114.201 -108.328 1.150 128.925 -37.341 +D 22 3.800 114.201 180.000 0.000 0.000 0.000 + + +******************************************************************************** + Processor 6: end reading molecular data. +******************************************************************************** + + +Energy minimization of multiple conformations calculation. + +Conformations will be energy-minimized. +******************************************************************************** + +CG processor 6 is finishing work. + Total wall clock time 1.33203125000000 sec diff --git a/examples/unres/CSA/GAB/CSA/global/unrestrained/reminimize/1l2y_remini.out_GB007 b/examples/unres/CSA/GAB/CSA/global/unrestrained/reminimize/1l2y_remini.out_GB007 new file mode 100644 index 0000000..c1cb463 --- /dev/null +++ b/examples/unres/CSA/GAB/CSA/global/unrestrained/reminimize/1l2y_remini.out_GB007 @@ -0,0 +1,190 @@ +******************************************************************************** +United-residue force field calculation - parallel job. +******************************************************************************** + MPI: node= 7 iseed= -24477943 + ran_num 0.190019838302853 +RMSDBC = 3.0 +RMSDBC1 = 0.5 +RMSDBC1MAX = 1.5 +DRMS = 0.1 +RMSDBCM = 3.0 +Time limit (min): 960.0 + RESCALE_MODE 0 +Library routine used to diagonalize matrices. + +******************************************************************************** + Options in energy minimization: +******************************************************************************** +MaxMin: 2000 MaxFun: 3000MinMin: 2000 MinFun: 2000 TolF: 1.00000E-02 RTolF: 1.00000E-04 + +Energy-term weights (unscaled): + +WSCC= 1.352790 (SC-SC) +WSCP= 1.593040 (SC-p) +WELEC= 0.715340 (p-p electr) +WVDWPP= 0.113710 (p-p VDW) +WBOND= 1.000000 (stretching) +WANG= 1.138730 (bending) +WSCLOC= 0.162580 (SC local) +WTOR= 1.985990 (torsional) +WTORD= 1.570690 (double torsional) +WSTRAIN= 1.000000 (SS bridges & dist. cnstr.) +WEL_LOC= 0.160360 (multi-body 3-rd order) +WCORR4= 0.428870 (multi-body 4th order) +WCORR5= 0.000000 (multi-body 5th order) +WCORR6= 0.000000 (multi-body 6th order) +WSCCOR= 0.000000 (back-scloc correlation) +WTURN3= 1.687220 (turns, 3rd order) +WTURN4= 0.662300 (turns, 4th order) +WTURN6= 0.000000 (turns, 6th order) +WDFA_D= 0.000000 (DFA, distance) +WDFA_T= 0.000000 (DFA, torsional) +WDFA_N= 0.000000 (DFA, number of neighbor) +WDFA_B= 0.000000 (DFA, beta formation) + +Hydrogen-bonding correlation between contact pairs of peptide groups + +Scaling factor of 1,4 SC-p interactions: 0.400 +General scaling factor of SC-p interactions: 1.000 + +Energy-term weights (scaled): + +WSCC= 1.352790 (SC-SC) +WSCP= 1.593040 (SC-p) +WELEC= 0.715340 (p-p electr) +WVDWPP= 0.113710 (p-p VDW) +WBOND= 1.000000 (stretching) +WANG= 1.138730 (bending) +WSCLOC= 0.162580 (SC local) +WTOR= 1.985990 (torsional) +WTORD= 1.570690 (double torsional) +WSTRAIN= 1.000000 (SS bridges & dist. cnstr.) +WEL_LOC= 0.160360 (multi-body 3-rd order) +WCORR4= 0.428870 (multi-body 4th order) +WCORR5= 0.000000 (multi-body 5th order) +WCORR6= 0.000000 (multi-body 6th order) +WSCCOR= 0.000000 (back-scloc correlatkion) +WTURN3= 1.687220 (turns, 3rd order) +WTURN4= 0.662300 (turns, 4th order) +WTURN6= 0.000000 (turns, 6th order) +WDFA_D= 0.000000 (DFA, distance) +WDFA_T= 0.000000 (DFA, torsional) +WDFA_N= 0.000000 (DFA, number of neighbor) +WDFA_B= 0.000000 (DFA, beta formation) + Reference temperature for weights calculation: 300.000000000000 + Parameters of the SS-bond potential: + D0CM 3.78000000000000 AKCM 15.1000000000000 AKTH + 11.0000000000000 AKCT 12.0000000000000 + V1SS -1.08000000000000 V2SS 7.61000000000000 V3SS + 13.7000000000000 + EBR -5.50000000000000 +PDB data will be read from file 1l2y.pdb + Nres: 21 +Backbone and SC coordinates as read from the PDB + 1 21 D -9.841 4.399 -5.051 -9.841 4.399 -5.051 + 2 14 ASN -8.608 3.135 -1.618 -10.909 3.249 -2.846 + 3 5 LEU -4.923 4.002 -2.452 -4.502 6.849 -1.550 + 4 8 TYR -3.690 2.738 0.981 -1.959 3.143 3.797 + 5 4 ILE -5.857 -0.449 0.613 -7.910 -0.417 1.393 + 6 13 GLN -4.122 -1.167 -2.743 -5.540 -1.315 -5.233 + 7 7 TRP -0.716 -0.631 -0.993 1.727 0.440 1.450 + 8 5 LEU -1.641 -2.932 1.963 -2.262 -1.871 4.556 + 9 19 LYS -3.024 -5.791 -0.269 -3.820 -5.527 -3.146 + 10 16 ASP 0.466 -6.016 -1.905 0.653 -5.125 -3.676 + 11 10 GLY 2.060 -6.618 1.593 2.060 -6.618 1.593 + 12 10 GLY 2.626 -2.967 2.723 2.626 -2.967 2.723 + 13 20 PRO 6.333 -2.533 3.806 5.724 -2.372 5.058 + 14 12 SER 7.049 -6.179 2.704 6.757 -6.938 3.675 + 15 12 SER 6.389 -5.315 -1.015 5.245 -5.350 -1.546 + 16 10 GLY 9.451 -3.116 -1.870 9.451 -3.116 -1.870 + 17 18 ARG 7.289 0.084 -2.054 5.225 -1.826 -3.986 + 18 20 PRO 6.782 3.088 0.345 7.458 3.741 -0.688 + 19 20 PRO 3.287 4.031 1.686 4.025 4.206 2.856 + 20 20 PRO 1.185 6.543 -0.353 0.358 5.421 -0.430 + 21 12 SER 0.852 10.027 1.285 1.151 10.636 1.488 + 22 21 D -1.250 12.539 -0.754 -1.250 12.539 -0.754 +nsup= 20 nstart_sup= 2 + ITEL + 1 21 0 + 2 14 1 + 3 5 1 + 4 8 1 + 5 4 1 + 6 13 1 + 7 7 1 + 8 5 1 + 9 19 1 + 10 16 1 + 11 10 1 + 12 10 2 + 13 20 1 + 14 12 1 + 15 12 1 + 16 10 1 + 17 18 2 + 18 20 2 + 19 20 2 + 20 20 1 + 21 12 0 + ns= 0 iss: +nsup= 20 + nsup= 20 nstart_sup= 2 nstart_seq= 2 + NZ_START= 2 NZ_END= 21 + IZ_SC= 0 + Processor 0 CG group 0 absolute rank 7 nhpb + 0 link_start= 1 link_end 0 + Contact order: 0.337121212121212 + Shifting contacts: 2 2 + 1 TRP 7 TYR 4 + 2 LEU 8 TYR 4 + 3 LYS 9 GLN 6 + 4 GLY 12 TRP 7 + 5 GLY 12 LEU 8 + 6 SER 14 GLY 11 + 7 SER 15 ASP 10 + 8 SER 15 GLY 11 + 9 PRO 19 TRP 7 + 10 PRO 20 LEU 3 + 11 PRO 20 TYR 4 + 12 PRO 20 TRP 7 +intinname +1l2y_csa_GB000.int + +Geometry of the virtual chain. + Res d Theta Gamma Dsc Alpha Beta +D 1 0.000 0.000 0.000 0.000 0.000 0.000 +ASN 2 3.800 0.000 0.000 1.684 90.531 -178.452 +LEU 3 3.800 92.239 0.000 1.939 101.575 -78.530 +TYR 4 3.800 92.239 -180.000 2.484 163.195 -7.440 +ILE 5 3.800 90.357 45.849 1.776 148.228 -110.333 +GLN 6 3.800 89.090 55.194 2.240 164.593 -141.638 +TRP 7 3.800 88.657 49.396 2.605 123.650 -21.913 +LEU 8 3.800 93.032 48.298 1.939 156.202 -108.750 +LYS 9 3.800 94.826 46.843 2.541 106.974 -55.960 +ASP 10 3.800 87.966 59.623 1.709 153.447 -128.646 +GLY 11 3.800 89.908 56.679 0.000 0.000 0.000 +GLY 12 3.800 100.181 -87.304 0.000 0.000 0.000 +PRO 13 3.800 109.073 -127.499 1.345 101.771 -115.580 +SER 14 3.800 89.537 4.261 1.150 144.515 -129.218 +SER 15 3.800 91.815 66.108 1.150 161.047 -100.177 +GLY 16 3.800 101.784 70.140 0.000 0.000 0.000 +ARG 17 3.800 92.201 -108.949 3.020 139.846 -132.716 +PRO 18 3.800 133.225 103.824 1.345 115.610 -118.024 +PRO 19 3.800 121.502 -122.527 1.345 118.575 -122.417 +PRO 20 3.800 117.950 -90.285 1.345 118.959 -126.207 +SER 21 3.800 114.201 -108.328 1.150 128.925 -37.341 +D 22 3.800 114.201 180.000 0.000 0.000 0.000 + + +******************************************************************************** + Processor 7: end reading molecular data. +******************************************************************************** + + +Energy minimization of multiple conformations calculation. + +Conformations will be energy-minimized. +******************************************************************************** + +CG processor 7 is finishing work. + Total wall clock time 1.34375000000000 sec diff --git a/examples/unres/CSA/GAB/CSA/global/unrestrained/reminimize/1l2y_remini_GB000.int b/examples/unres/CSA/GAB/CSA/global/unrestrained/reminimize/1l2y_remini_GB000.int new file mode 100644 index 0000000..3769e16 --- /dev/null +++ b/examples/unres/CSA/GAB/CSA/global/unrestrained/reminimize/1l2y_remini_GB000.int @@ -0,0 +1,2600 @@ + 1 -88.115 0 + 93.9902 91.4469 89.2499 89.4542 89.3747 89.3217 89.2616 88.6456 + 91.0124 95.5920 130.9364 93.9890 94.6583 134.6164 116.7496 131.4564 + 118.9415 119.2810 93.1355 93.2989 + 118.5841 79.4877 52.1005 42.8230 48.1776 58.8031 58.4604 47.4555 + 170.9677 99.7450 -52.6701 81.4239 -58.1706 -159.4001 174.1533 -83.1546 + -109.4914 -138.8611 79.7320 + 140.3256 147.3992 115.9864 166.9710 133.5272 120.5733 142.1945 116.8232 + 137.5783 0.0000 0.0000 132.4104 118.7722 126.3170 0.0000 111.8467 + 115.3030 109.9074 104.3783 111.2368 + -7.3067 -18.8675 -64.2119 -160.5781 -105.2871 29.2218 -136.2515 -126.3564 + -112.6687 0.0000 0.0000 -155.6389 -76.3490 -80.3374 0.0000 -127.2761 + -120.6055 -109.1556 -114.5041 -78.0648 + 2 -86.727 0 + 93.8264 93.1351 123.7227 91.1936 90.3067 90.8640 90.0037 89.8921 + 91.5890 108.5999 116.3949 92.3392 93.1115 93.1703 94.3964 131.6430 + 116.8787 119.9894 93.9416 93.4577 + 104.7923 126.1345 -90.0725 54.6429 38.8389 63.9796 49.2086 79.2055 + 0.0038 -88.9867 -53.3899 74.4124 143.2274 -74.2854 52.9754 -78.6498 + -106.3593 -152.7562 32.8425 + 146.9881 140.5269 90.1724 146.3382 122.3463 119.1788 144.4237 83.9586 + 137.7095 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b/examples/unres/CSA/GAB/CSA/global/unrestrained/reminimize/fit.log @@ -0,0 +1,45 @@ + + +******************************************************************************* +Wed Jun 13 10:27:41 2012 + + +FIT: data read from "1l2y_remini_GB000.stat" u 27:31 + #datapoints = 200 + residuals are weighted equally (unit weight) + +function used for fitting: f(x) +fitted parameters initialized with current variable values + + + +Iteration 0 +WSSR : 4599.97 delta(WSSR)/WSSR : 0 +delta(WSSR) : 0 limit for stopping : 1e-05 +lambda : 2.99116 + +initial set of free parameter values + +a = 1 +b = 1 + +After 4 iterations the fit converged. +final sum of squares of residuals : 0.148259 +rel. change during last iteration : -3.56824e-13 + +degrees of freedom (ndf) : 198 +rms of residuals (stdfit) = sqrt(WSSR/ndf) : 0.0273639 +variance of residuals (reduced chisquare) = WSSR/ndf : 0.00074878 + +Final set of parameters Asymptotic Standard Error +======================= ========================== + +a = -0.00629305 +/- 0.001687 (26.8%) +b = 0.317023 +/- 0.006933 (2.187%) + + +correlation matrix of the fit parameters: + + a b +a 1.000 +b -0.960 1.000 diff --git a/examples/unres/CSA/GAB/CSA/global/unrestrained/reminimize/run b/examples/unres/CSA/GAB/CSA/global/unrestrained/reminimize/run new file mode 100755 index 0000000..21247ff --- /dev/null +++ b/examples/unres/CSA/GAB/CSA/global/unrestrained/reminimize/run @@ -0,0 +1,11 @@ +#PBS -N unres_csa_dfa +#PBS -q special +#PBS -l nodes=2:ppn=4 + +set NPROCS=`cat $PBS_NODEFILE | wc -l` + +cd $PBS_O_WORKDIR + +/users/local/mpich-1.2.7p1_intel-10.1_em64_ssh/bin/mpirun -machinefile $PBS_NODEFILE -np $NPROCS \ +-p4wd $PBS_O_WORKDIR $PBS_O_WORKDIR/unres_4P.csh + diff --git a/examples/unres/CSA/GAB/CSA/global/unrestrained/reminimize/unres_4P.csh b/examples/unres/CSA/GAB/CSA/global/unrestrained/reminimize/unres_4P.csh new file mode 100755 index 0000000..25e198b --- /dev/null +++ b/examples/unres/CSA/GAB/CSA/global/unrestrained/reminimize/unres_4P.csh @@ -0,0 +1,24 @@ +#!/bin/csh +setenv FGPROCS 1 +setenv POT GB +setenv PREFIX 1l2y_remini +setenv OUT1FILE NO +#----------------------------------------------------------------------------- +setenv UNRES_BIN /users/czarek/UNRES/GIT/unres/bin/unres/CSA/unres_csa_ifort_mpich-1.2.7p1.exe +#----------------------------------------------------------------------------- +setenv DD /users/czarek/UNRES/GIT/unres/PARAM +setenv BONDPAR $DD/bond.parm +setenv THETPAR $DD/thetaml.5parm +setenv ROTPAR $DD/scgauss.parm +setenv TORPAR $DD/torsion_631Gdp.parm +setenv TORDPAR $DD/torsion_double_631Gdp.parm +setenv ELEPAR $DD/electr_631Gdp.parm +setenv SIDEPAR $DD/sc_GB_opt.1gab_3S_qclass5no310-shan2-sc-16-10-8k +setenv FOURIER $DD/fourier_opt.parm.1igd_hc_iter3_3 +setenv SCCORPAR $DD/rotcorr_AM1.parm +setenv SCPPAR $DD/scp.parm +setenv PATTERN $DD/patterns.cart +setenv PRINT_PARM NO +#----------------------------------------------------------------------------- + +$UNRES_BIN $* diff --git a/examples/unres/CSA/GAB/CSA/global/unrestrained/start.mat b/examples/unres/CSA/GAB/CSA/global/unrestrained/start.mat new file mode 100755 index 0000000..297cfd8 --- /dev/null +++ b/examples/unres/CSA/GAB/CSA/global/unrestrained/start.mat @@ -0,0 +1,11 @@ +#PBS -N global_1l2y_csa +#PBS -q special +#PBS -l nodes=8:ppn=4 +#PBS -l walltime=168:00:00 + +setenv MPIRUN "/users/local/mpi64/mpich-1.2.7p1/bin/mpirun " +setenv NPROCS `cat $PBS_NODEFILE | wc -l` + +cd $PBS_O_WORKDIR +$MPIRUN -machinefile $PBS_NODEFILE -np $NPROCS unres.csh + diff --git a/examples/unres/CSA/GAB/CSA/global/unrestrained/unres.csh b/examples/unres/CSA/GAB/CSA/global/unrestrained/unres.csh new file mode 100755 index 0000000..7c1f322 --- /dev/null +++ b/examples/unres/CSA/GAB/CSA/global/unrestrained/unres.csh @@ -0,0 +1,25 @@ +#!/bin/csh -f + +setenv FGPROCS 1 +setenv POT GB +setenv PREFIX 1l2y_csa +setenv OUT1FILE NO +#----------------------------------------------------------------------------- +setenv UNRES_BIN /users/bartek/UNRESPACK/unres/bin/unres/CSA/unres_csa_ifort_mpich-1.2.7p1.exe +#----------------------------------------------------------------------------- +setenv DD /users/bartek/UNRESPACK/unres/PARAM +setenv BONDPAR $DD/bond.parm +setenv THETPAR $DD/thetaml.5parm +setenv ROTPAR $DD/scgauss.parm +setenv TORPAR $DD/torsion_631Gdp.parm +setenv TORDPAR $DD/torsion_double_631Gdp.parm +setenv ELEPAR $DD/electr_631Gdp.parm +setenv SIDEPAR $DD/sc_GB_opt.1gab_3S_qclass5no310-shan2-sc-16-10-8k +setenv FOURIER $DD/fourier_opt.parm.1igd_hc_iter3_3 +setenv SCCORPAR $DD/rotcorr_AM1.parm +setenv SCPPAR $DD/scp.parm +setenv PATTERN $DD/patterns.cart +setenv PRINT_PARM NO +#----------------------------------------------------------------------------- + +$UNRES_BIN $* diff --git a/examples/unres/CSA/GAB/CSA/global_1l2y_csa.e154158 b/examples/unres/CSA/GAB/CSA/global_1l2y_csa.e154158 deleted file mode 100644 index 7100ccc..0000000 --- a/examples/unres/CSA/GAB/CSA/global_1l2y_csa.e154158 +++ /dev/null @@ -1,32 +0,0 @@ -Bye Bye... -Bye Bye... -Bye Bye... -Bye Bye... -Bye Bye... -Bye Bye... -Bye Bye... -Bye Bye... -Bye Bye... -Bye Bye... -Bye Bye... -Bye Bye... -Bye Bye... -Bye Bye... -Bye Bye... -Bye Bye... -Bye Bye... -Bye Bye... -Bye Bye... -Bye Bye... -Bye Bye... -Bye Bye... -Bye Bye... -Bye Bye... -Bye Bye... -Bye Bye... -Bye Bye... -Bye Bye... -Bye Bye... -Bye Bye... -Bye Bye... -Bye Bye... diff --git a/examples/unres/CSA/GAB/CSA/global_1l2y_csa.o154158 b/examples/unres/CSA/GAB/CSA/global_1l2y_csa.o154158 deleted file mode 100644 index f10eea2..0000000 --- a/examples/unres/CSA/GAB/CSA/global_1l2y_csa.o154158 +++ /dev/null @@ -1,1215 +0,0 @@ -Warning: no access to tty (Bad file descriptor). -Thus no job control in this shell. - Processor 12 out of 32 rank in CG_COMM 12 - size of CG_COMM 32 size of FG_COMM 1 rank in FG_COMM1 - 0 size of FG_COMM1 1 -Inside initialize Processor 18 out of 32 rank in CG_COMM 18 - size of CG_COMM 32 size of FG_COMM 1 rank in FG_COMM1 - 0 size of FG_COMM1 1 -Inside initialize Processor 17 out of 32 rank in CG_COMM 17 - size of CG_COMM 32 size of FG_COMM 1 rank in FG_COMM1 - 0 size of FG_COMM1 1 -Inside initialize Processor 15 out of 32 rank in CG_COMM 15 - size of CG_COMM 32 size of FG_COMM 1 rank in FG_COMM1 - 0 size of FG_COMM1 1 -Inside initialize Processor 28 out of 32 rank in CG_COMM 28 - Processor 31 out of 32 rank in CG_COMM 31 - size of CG_COMM 32 size of FG_COMM 1 rank in FG_COMM1 - 0 size of FG_COMM1 1 - Processor 23 out of 32 rank in CG_COMM 23 - size of CG_COMM 32 size of FG_COMM 1 rank in FG_COMM1 - 0 size of FG_COMM1 1 -Inside initialize Processor 6 out of 32 rank in CG_COMM 6 - size of CG_COMM 32 size of FG_COMM 1 rank in FG_COMM1 - 0 size of FG_COMM1 1 -Inside initialize Processor 16 out of 32 rank in CG_COMM 16 - size of CG_COMM 32 size of FG_COMM 1 rank in FG_COMM1 - 0 size of FG_COMM1 1 -Inside initialize Processor 5 out of 32 rank in CG_COMM 5 - size of CG_COMM 32 size of FG_COMM 1 rank in FG_COMM1 - 0 size of FG_COMM1 1 -Inside initialize Processor 7 out of 32 rank in CG_COMM 7 - size of CG_COMM 32 size of FG_COMM 1 rank in FG_COMM1 - 0 size of FG_COMM1 1 -Inside initialize Processor 9 out of 32 rank in CG_COMM 9 - size of CG_COMM 32 size of FG_COMM 1 rank in FG_COMM1 - 0 size of FG_COMM1 1 -Inside initialize Processor 26 out of 32 rank in CG_COMM 26 - size of CG_COMM 32 size of FG_COMM 1 rank in FG_COMM1 - 0 size of FG_COMM1 1 -Inside initialize Processor 22 out of 32 rank in CG_COMM 22 - size of CG_COMM 32 size of FG_COMM 1 rank in FG_COMM1 - 0 size of FG_COMM1 1 -Inside initialize Processor 19 out of 32 rank in CG_COMM 19 - size of CG_COMM 32 size of FG_COMM 1 rank in FG_COMM1 - 0 size of FG_COMM1 1 -Inside initialize Processor 14 out of 32 rank in CG_COMM 14 - size of CG_COMM 32 size of FG_COMM 1 rank in FG_COMM1 - 0 size of FG_COMM1 1 -Inside initialize Processor 4 out of 32 rank in CG_COMM 4 - size of CG_COMM 32 size of FG_COMM 1 rank in FG_COMM1 - 0 size of FG_COMM1 1 -Inside initialize Processor 10 out of 32 rank in CG_COMM 10 - size of CG_COMM 32 size of FG_COMM 1 rank in FG_COMM1 - 0 size of FG_COMM1 1 -Inside initialize Processor 8 out of 32 rank in CG_COMM 8 - size of CG_COMM 32 size of FG_COMM 1 rank in FG_COMM1 - 0 size of FG_COMM1 1 -Inside initialize Processor 11 out of 32 rank in CG_COMM 11 - size of CG_COMM 32 size of FG_COMM 1 rank in FG_COMM1 - 0 size of FG_COMM1 1 -Inside initialize Processor 13 out of 32 rank in CG_COMM 13 - size of CG_COMM 32 size of FG_COMM 1 rank in FG_COMM1 - 0 size of FG_COMM1 1 -Inside initialize Processor 20 out of 32 rank in CG_COMM 20 - size of CG_COMM 32 size of FG_COMM 1 rank in FG_COMM1 - 0 size of FG_COMM1 1 -Inside initialize Processor 21 out of 32 rank in CG_COMM 21 - size of CG_COMM 32 size of FG_COMM 1 rank in FG_COMM1 - 0 size of FG_COMM1 1 -Inside initialize Processor 29 out of 32 rank in CG_COMM 29 - Processor 30 out of 32 rank in CG_COMM 30 - size of CG_COMM 32 size of FG_COMM 1 rank in FG_COMM1 - 0 size of FG_COMM1 1 - Processor 27 out of 32 rank in CG_COMM 27 - size of CG_COMM 32 size of FG_COMM 1 rank in FG_COMM1 - 0 size of FG_COMM1 1 -Inside initialize Processor 24 out of 32 rank in CG_COMM 24 - size of CG_COMM 32 size of FG_COMM 1 rank in FG_COMM1 - 0 size of FG_COMM1 1 -Inside initialize Processor 25 out of 32 rank in CG_COMM 25 - size of CG_COMM 32 size of FG_COMM 1 rank in FG_COMM1 - 0 size of FG_COMM1 1 -Inside initializeInside initialize size of CG_COMM 32 size of FG_COMM 1 rank in FG_COMM1 - 0 size of FG_COMM1 1 -Inside initialize size of CG_COMM 32 size of FG_COMM 1 rank in FG_COMM1 - 0 size of FG_COMM1 1 -Inside initializeInside initialize Processor 0 out of 32 rank in CG_COMM 0 - size of CG_COMM 32 size of FG_COMM 1 rank in FG_COMM1 - 0 size of FG_COMM1 1 -Inside initialize Processor 2 out of 32 rank in CG_COMM 2 - size of CG_COMM 32 size of FG_COMM 1 rank in FG_COMM1 - 0 size of FG_COMM1 1 -Inside initialize Processor 1 out of 32 rank in CG_COMM 1 - size of CG_COMM 32 size of FG_COMM 1 rank in FG_COMM1 - 0 size of FG_COMM1 1 -Inside initialize Processor 3 out of 32 rank in CG_COMM 3 - size of CG_COMM 32 size of FG_COMM 1 rank in FG_COMM1 - 0 size of FG_COMM1 1 -Inside initialize MPI: node= 23 iseed= -73433831 - MPI: node= 18 iseed= -58135116 - MPI: node= 13 iseed= -42836401 - MPI: node= 11 iseed= -36716915 - MPI: node= 22 iseed= -70374088 - MPI: node= 31 iseed= -97911775 - MPI: node= 9 iseed= -30597429 - MPI: node= 6 iseed= -21418200 - MPI: node= 15 iseed= -48955887 - MPI: node= 25 iseed= -79553317 - MPI: node= 17 iseed= -55075373 - MPI: node= 28 iseed= -88732546 - indpdb= 0 pdbref= F - Call Read_Bridge. - ns= 0 - Processor 11 0 0 ivec_start 1 ivec_end - 21 - indpdb= 0 pdbref= F - Call Read_Bridge. - ns= 0 - Processor 9 0 0 ivec_start 1 ivec_end - 21 - MPI: node= 5 iseed= -18358457 - MPI: node= 10 iseed= -33657172 - MPI: node= 8 iseed= -27537686 - indpdb= 0 pdbref= F - Call Read_Bridge. - ns= 0 - Processor 8 0 0 ivec_start 1 ivec_end - 21 - indpdb= 0 pdbref= F - Call Read_Bridge. - ns= 0 - Processor 10 0 0 ivec_start 1 ivec_end - 21 - MPI: node= 21 iseed= -67314345 - MPI: node= 14 iseed= -45896144 - MPI: node= 24 iseed= -76493574 - MPI: node= 7 iseed= -24477943 - MPI: node= 16 iseed= -52015630 - MPI: node= 29 iseed= -91792289 - indpdb= 0 pdbref= F - Call Read_Bridge. - ns= 0 - Processor 15 0 0 ivec_start 1 ivec_end - 21 - indpdb= 0 pdbref= F - Call Read_Bridge. - ns= 0 - Processor 13 0 0 ivec_start 1 ivec_end - 21 - indpdb= 0 pdbref= F - Call Read_Bridge. - ns= 0 - Processor 14 0 0 ivec_start 1 ivec_end - 21 - MPI: node= 3 iseed= -12238971 - MPI: node= 20 iseed= -64254602 - MPI: node= 12 iseed= -39776658 - indpdb= 0 pdbref= F - Call Read_Bridge. - ns= 0 - Processor 12 0 0 ivec_start 1 ivec_end - 21 - indpdb= 0 pdbref= F - Call Read_Bridge. - ns= 0 - Processor 22 0 0 ivec_start 1 ivec_end - 21 - indpdb= 0 pdbref= F - Call Read_Bridge. - ns= 0 - Processor 23 0 0 ivec_start 1 ivec_end - 21 - indpdb= 0 pdbref= F - Call Read_Bridge. - ns= 0 - Processor 21 0 0 ivec_start 1 ivec_end - 21 - indpdb= 0 pdbref= F - Call Read_Bridge. - ns= 0 - Processor 20 0 0 ivec_start 1 ivec_end - 21 - MPI: node= 4 iseed= -15298714 - indpdb= 0 pdbref= F - Call Read_Bridge. - ns= 0 - indpdb= 0 pdbref= F - Call Read_Bridge. - Processor 6 0 0 ivec_start 1 ivec_end - 21 - ns= 0 - Processor 5 0 0 ivec_start 1 ivec_end - 21 - indpdb= 0 pdbref= F - Call Read_Bridge. - ns= 0 - Processor 7 0 0 ivec_start 1 ivec_end - 21 - indpdb= 0 pdbref= F - Call Read_Bridge. - ns= 0 - Processor 4 0 0 ivec_start 1 ivec_end - 21 - MPI: node= 19 iseed= -61194859 - MPI: node= 30 iseed= -94852032 - indpdb= 0 pdbref= F - Call Read_Bridge. - ns= 0 - indpdb= 0 pdbref= F - Call Read_Bridge. - ns= 0 - Processor 18 0 0 ivec_start 1 ivec_end - 21 - Processor 17 0 0 ivec_start 1 ivec_end - 21 - indpdb= 0 pdbref= F - Call Read_Bridge. - ns= 0 - indpdb= 0 pdbref= F - indpdb= 0 pdbref= F - Call Read_Bridge. - ns= 0 - Processor 28 0 0 ivec_start 1 ivec_end - 21 - Call Read_Bridge. - ns= 0 - Processor 16 0 0 ivec_start 1 ivec_end - 21 - Processor 31 0 0 ivec_start 1 ivec_end - 21 - indpdb= 0 pdbref= F - indpdb= 0 pdbref= F - Call Read_Bridge. - ns= 0 - Call Read_Bridge. - ns= 0 - Processor 29 0 0 ivec_start 1 ivec_end - 21 - indpdb= 0 pdbref= F - Call Read_Bridge. - ns= 0 - Processor 19 0 0 ivec_start 1 ivec_end - 21 - Processor 30 0 0 ivec_start 1 ivec_end - 21 - MPI: node= 26 iseed= -82613060 - MPI: node= 1 iseed= -6119485 - indpdb= 0 pdbref= F - Call Read_Bridge. - ns= 0 - Processor 25 0 0 ivec_start 1 ivec_end - 21 - indpdb= 0 pdbref= F - Call Read_Bridge. - ns= 0 - Processor 24 0 0 ivec_start 1 ivec_end - 21 - indpdb= 0 pdbref= F - Call Read_Bridge. - ns= 0 - Processor 26 0 0 ivec_start 1 ivec_end - 21 - MPI: node= 27 iseed= -85672803 - indpdb= 0 pdbref= F - Call Read_Bridge. - ns= 0 - Processor 27 0 0 ivec_start 1 ivec_end - 21 - indpdb= 0 pdbref= F - Call Read_Bridge. - ns= 0 - Processor 1 0 0 ivec_start 1 ivec_end - 21 - indpdb= 0 pdbref= F - Call Read_Bridge. - ns= 0 - Processor 3 0 0 ivec_start 1 ivec_end - 21 - MPI: node= 2 iseed= -9179228 - indpdb= 0 pdbref= F - Call Read_Bridge. - ns= 0 - Processor 2 0 0 ivec_start 1 ivec_end - 21 - MPI: node= 0 iseed= -3059742 - indpdb= 0 pdbref= F - Call Read_Bridge. - ns= 0 - Processor 0 0 0 ivec_start 1 ivec_end - 21 - HOHOHOHO Make_RanVar!!!!! 200 0 - phi( 7 )= 0.457219775497020 - phi( 11 )= 0.419374802130486 - phi( 11 )= -1.06541301838854 - phi( 12 )= 0.753318719927387 - phi( 17 )= 1.78267995163280 - phi( 9 )= -0.703090893056189 - phi( 13 )= -2.56004899996625 - phi( 11 )= -1.92762136260311 - phi( 8 )= -0.499604525133917 - phi( 7 )= -1.41914569246842 - phi( 9 )= -1.63745582819888 - phi( 17 )= 1.92635344778814 - phi( 7 )= -1.81850602805532 - phi( 9 )= -0.211601241235155 - phi( 9 )= 0.433390668118252 - phi( 14 )= 0.435234595071760 - phi( 14 )= 0.492172053403085 - phi( 13 )= 3.01410822076474 - phi( 18 )= -0.127111680709047 - phi( 17 )= -1.13118731507967 - phi( 17 )= 0.971986148481772 - phi( 20 )= -0.718343232991239 - phi( 9 )= -1.56553338547911 - phi( 9 )= 2.52283556102877 - phi( 19 )= 1.83768612402975 - phi( 18 )= -7.128931138175387E-002 - phi( 7 )= 0.573874952431831 - phi( 9 )= -0.390631895041012 - phi( 9 )= 0.618319515649625 - phi( 19 )= 1.61812291940782 - phi( 9 )= -1.69696933923035 - phi( 19 )= -2.64871053673132 - phi( 18 )= 1.40135797917050 - phi( 8 )= 0.782285612046169 - phi( 7 )= -1.67275873692137 - phi( 9 )= -0.396708638399486 - phi( 10 )= 1.50305672671754 - phi( 9 )= -1.44458184015781 - phi( 11 )= -2.26848544859340 - phi( 9 )= 2.21193361244618 - phi( 8 )= 2.07282053817356 - phi( 7 )= -2.18506215329466 - phi( 9 )= -1.46868339862407 - phi( 10 )= -0.858332087955301 - phi( 13 )= 2.92119854324908 - phi( 4 )= -2.50060197779396 - phi( 18 )= -1.20410922953057 - phi( 18 )= -2.40276433204186 - phi( 18 )= 1.61345901752671 - phi( 21 )= 2.35260640101499 - phi( 17 )= -0.258873195585399 - phi( 21 )= 3.13577815902140 - phi( 21 )= -1.63416197535811 - phi( 20 )= -2.48692035555728 - phi( 20 )= 2.38498137433683 - phi( 4 )= -1.24769389247211 - phi( 14 )= -0.689182018522444 - phi( 14 )= 0.474784953867608 - phi( 13 )= -0.808797957509114 - phi( 14 )= -1.75731573121655 - phi( 13 )= -3.088007363279521E-002 - phi( 9 )= 3.315640462058145E-002 - phi( 9 )= -2.79069966619080 - phi( 11 )= 3.10385551326048 - phi( 13 )= 2.93589378546897 - phi( 18 )= 2.85632922275290 - phi( 17 )= 1.51102737107756 - phi( 11 )= 1.38340193446952 - phi( 10 )= -2.30965092115611 - phi( 14 )= 2.30191436703369 - phi( 7 )= 0.116211348504021 - phi( 8 )= 2.41847389512580 - phi( 7 )= 0.609375039317863 - phi( 7 )= 0.903289210877216 - phi( 20 )= -2.78071219612480 - phi( 10 )= -1.05800507407816 - phi( 11 )= 2.95139891575148 - phi( 20 )= 1.33559771532291 - phi( 9 )= -1.81782090820981 - phi( 8 )= -1.15124122312414 - phi( 15 )= 2.84402041369661 - phi( 14 )= 6.204566703663827E-002 - phi( 6 )= 2.01171561321491 - phi( 7 )= 2.58590323412806 - phi( 6 )= -3.13384480186673 - phi( 11 )= -2.63235483029843 - phi( 8 )= 1.36952428898100 - phi( 7 )= 2.85370910382283 - phi( 8 )= 0.270340224932407 - phi( 8 )= -0.445246375364766 - phi( 15 )= -0.619695221050981 - phi( 14 )= -2.59938469984665 - phi( 16 )= 0.374419855817358 - phi( 16 )= -0.683227127862008 - phi( 19 )= -2.72993311253642 - phi( 19 )= 0.177100656370044 - phi( 19 )= -2.38162930736983 - phi( 4 )= 1.48096674528764 - phi( 17 )= -2.75493060802507 - phi( 9 )= -1.92153496949424 - phi( 16 )= -1.28469811441282 - phi( 17 )= -1.75312994045627 - phi( 15 )= -3.14051369903290 - phi( 8 )= -0.459523827039991 - phi( 17 )= 0.784366468499889 - phi( 10 )= 0.639205026451255 - phi( 11 )= -1.48917946252357 - phi( 18 )= 2.80035528949889 - phi( 13 )= 2.64718788407006 - phi( 8 )= 5.033723073001228E-002 - phi( 8 )= 1.69991494888272 - phi( 9 )= 3.01009177721699 - phi( 8 )= -0.535982011750287 - phi( 10 )= 1.77802839524681 - phi( 9 )= 1.96922904682609 - phi( 9 )= 0.961700929107541 - phi( 9 )= -0.698897930364677 - phi( 9 )= 2.97075783712665 - phi( 7 )= 1.53285617631613 - phi( 12 )= 2.06777167915979 - phi( 11 )= 0.499050614364164 - phi( 9 )= 2.45793683189312 - phi( 11 )= -2.01935969032527 - phi( 17 )= -1.08026147681189 - phi( 17 )= 1.78884828630968 - phi( 4 )= 3.06937301997761 - phi( 19 )= 2.00381574935771 - phi( 7 )= 1.10241888505004 - phi( 8 )= -0.372093921589945 - phi( 9 )= -0.749691181501065 - phi( 9 )= -1.55899148375120 - phi( 9 )= -1.74907301833565 - phi( 21 )= -1.83199354630854 - phi( 21 )= -3.07251587339324 - phi( 17 )= -0.837616908485041 - phi( 17 )= -0.354513284288660 - phi( 16 )= -7.294113701649341E-002 - phi( 17 )= -1.76301249972052 - phi( 17 )= -0.357495223955594 - phi( 8 )= -2.391168515376574E-002 - phi( 8 )= 0.126919141829143 - phi( 8 )= -2.06350039995681 - phi( 11 )= 1.95009558270479 - phi( 10 )= -1.61141441132511 - phi( 12 )= 1.93864071112040 - phi( 11 )= -2.73299726287020 - phi( 19 )= 2.30336375514120 - phi( 7 )= -2.27664902261855 - phi( 21 )= -2.72546697585504 - phi( 20 )= 2.51565896012834 - phi( 9 )= 3.02326021529346 - phi( 12 )= -1.32692901529395 - phi( 17 )= -1.19590939740053 - phi( 12 )= 1.29854644404214 - phi( 9 )= 0.581285185252586 - phi( 9 )= -1.92526376415070 - phi( 9 )= 0.500694597085789 - phi( 10 )= -0.135843585867661 - phi( 7 )= -0.348627074967817 - phi( 7 )= -0.482597634112616 - phi( 17 )= 1.05465571422272 - phi( 13 )= -0.784826801362593 - phi( 13 )= 2.65300657392998 - phi( 20 )= -1.10218424195421 - phi( 6 )= -1.27434993538053 - phi( 10 )= -2.22195740771805 - phi( 9 )= 0.454256521014727 - phi( 9 )= 0.334560106881901 - phi( 9 )= 2.26974912054083 - phi( 5 )= 2.52893418316345 - phi( 9 )= -0.402272000300202 - phi( 10 )= -1.08799966476663 - phi( 9 )= 2.78247032821564 - phi( 7 )= -1.16582606741359 - phi( 9 )= 0.962986068257177 - phi( 21 )= -2.70560723214932 - phi( 9 )= -1.13312882613544 - phi( 13 )= 0.313977118718952 - phi( 12 )= 0.220088077901611 - phi( 12 )= -5.267831251801658E-002 - phi( 12 )= 0.135062087155246 - phi( 12 )= 1.80242986611432 - phi( 6 )= -4.787579008252552E-002 - phi( 17 )= 0.968970851734063 - phi( 17 )= -2.68439836100926 - phi( 9 )= 2.27713739567876 - phi( 15 )= 1.59294922542021 - phi( 14 )= 2.95738644603849 - phi( 20 )= 2.55356451050401 - phi( 6 )= 2.81062415617203 - phi( 7 )= 2.11498648366497 - phi( 20 )= 2.70574175783368 - phi( 9 )= 1.97704129035687 - phi( 17 )= 2.48966240724374 - phi( 11 )= -0.605384885280797 - phi( 11 )= -0.467202032056730 - phi( 12 )= 2.47915339173477 - phi( 8 )= -2.14191325026495 - phi( 7 )= 1.51642796130978 - phi( 9 )= 2.38551125312129 - phi( 9 )= -0.665774358064836 - phi( 9 )= -0.844867555071123 - phi( 17 )= 2.68952648471094 - phi( 15 )= -0.793907614164557 - phi( 5 )= 0.264308822983335 - phi( 7 )= -2.03119530759882 - phi( 7 )= -1.94736878243294 - phi( 7 )= -0.895024181893132 - phi( 7 )= -3.04240617629762 - phi( 9 )= -8.292524080023789E-003 - phi( 8 )= -0.412282938170041 - phi( 9 )= 1.35276317239858 -CG Processor: 0: bad sampling box. -CG Processor: 0: bad sampling box. -CG Processor: 0: bad sampling box. -CG Processor: 0: bad sampling box. -CG Processor: 0: bad sampling box. -CG Processor: 0: bad sampling box. -CG Processor: 0: bad sampling box. -CG Processor: 0: bad sampling box. -CG Processor: 0: bad sampling box. -CG Processor: 0: bad sampling box. -CG Processor: 0: bad sampling box. -CG Processor: 0: bad sampling box. -CG Processor: 0: bad sampling box. -CG Processor: 0: bad sampling box. -CG Processor: 0: bad sampling box. -CG Processor: 0: bad sampling box. -CG Processor: 0: bad sampling box. -CG Processor: 0: bad sampling box. -CG Processor: 0: bad sampling box. -CG Processor: 0: bad sampling box. -CG Processor: 0: bad sampling box. -CG Processor: 0: bad sampling box. -CG Processor: 0: bad sampling box. -CG Processor: 0: bad sampling box. -CG Processor: 0: bad sampling box. -CG Processor: 0: bad sampling box. -CG Processor: 0: bad sampling box. -CG Processor: 0: bad sampling box. -CG Processor: 0: bad sampling box. -CG Processor: 0: bad sampling box. -CG Processor: 0: bad sampling box. -CG Processor: 0: bad sampling box. -CG Processor: 0: bad sampling box. -CG Processor: 0: bad sampling box. -CG Processor: 0: bad sampling box. -CG Processor: 0: bad sampling box. -CG Processor: 0: bad sampling box. -CG Processor: 0: bad sampling box. -CG Processor: 0: bad sampling box. -CG Processor: 0: bad sampling box. -CG Processor: 0: bad sampling box. -CG Processor: 0: bad sampling box. -CG Processor: 0: bad sampling box. -CG Processor: 0: bad sampling box. -CG Processor: 0: bad sampling box. -CG Processor: 0: bad sampling box. -CG Processor: 0: bad sampling box. -CG Processor: 0: bad sampling box. -CG Processor: 0: bad sampling box. -CG Processor: 0: bad sampling box. -CG Processor: 0: bad sampling box. -CG Processor: 0: bad sampling box. -CG Processor: 0: bad sampling box. -CG Processor: 0: bad sampling box. -CG Processor: 0: bad sampling box. -CG Processor: 0: bad sampling box. -CG Processor: 0: bad sampling box. -CG Processor: 0: bad sampling box. -CG Processor: 0: bad sampling box. -CG Processor: 0: bad sampling box. -CG Processor: 0: bad sampling box. -CG Processor: 0: bad sampling box. -CG Processor: 0: bad sampling box. -CG Processor: 0: bad sampling box. -CG Processor: 0: bad sampling box. -CG Processor: 0: bad sampling box. -CG Processor: 0: bad sampling box. -CG Processor: 0: bad sampling box. -CG Processor: 0: bad sampling box. -CG Processor: 0: bad sampling box. -CG Processor: 0: bad sampling box. -CG Processor: 0: bad sampling box. -CG Processor: 0: bad sampling box. -CG Processor: 0: bad sampling box. -CG Processor: 0: bad sampling box. -CG Processor: 0: bad sampling box. -CG Processor: 0: bad sampling box. -CG Processor: 0: bad sampling box. -CG Processor: 0: bad sampling box. -CG Processor: 0: bad sampling box. -CG Processor: 0: bad sampling box. -CG Processor: 0: bad sampling box. -CG Processor: 0: bad sampling box. -CG Processor: 0: bad sampling box. -CG Processor: 0: bad sampling box. -CG Processor: 0: bad sampling box. -CG Processor: 0: bad sampling box. -CG Processor: 0: bad sampling box. -CG Processor: 0: bad sampling box. -CG Processor: 0: bad sampling box. -CG Processor: 0: bad sampling box. -CG Processor: 0: bad sampling box. -CG Processor: 0: bad sampling box. -CG Processor: 0: bad sampling box. -CG Processor: 0: bad sampling box. -CG Processor: 0: bad sampling box. -CG Processor: 0: bad sampling box. -CG Processor: 0: bad sampling box. -CG Processor: 0: bad sampling box. -CG Processor: 0: bad sampling box. -CG Processor: 0: bad sampling box. - phi( 9 )= -1.02578599288844 - phi( 10 )= 2.81745956936784 - phi( 17 )= 2.67283467318686 - phi( 20 )= -1.03359003654726 - phi( 17 )= 1.72226146286599 - phi( 6 )= -1.30433892926784 - phi( 9 )= 1.93502230734247 - phi( 8 )= -1.07738232218898 - phi( 10 )= 5.071273202887072E-002 - phi( 9 )= 0.520035430909538 - phi( 21 )= 1.38521176109209 - phi( 17 )= -2.21270703052338 - phi( 20 )= -2.50426817334484 - phi( 4 )= -2.35416902927704 - phi( 11 )= 0.756560793830908 - phi( 20 )= -2.97860254283751 - phi( 9 )= -1.48172902188312 - phi( 10 )= 1.43337119160022 - phi( 11 )= 1.42843328716876 - phi( 13 )= -1.24528701572181 - phi( 11 )= 0.194192457748121 - phi( 6 )= 1.36827157172993 - phi( 9 )= 1.37645457328954 - phi( 14 )= -1.67405859544976 - phi( 8 )= 0.288420693765366 - phi( 9 )= -8.358105000612515E-003 - phi( 9 )= 0.346761024446995 - phi( 8 )= -2.21452967771131 - phi( 9 )= 0.225149747795196 - phi( 9 )= -1.74942056534503 - phi( 20 )= -0.265677872171924 - phi( 11 )= 2.46554237547418 - phi( 10 )= 2.85278002384008 - phi( 14 )= 1.81711330596493 - phi( 16 )= -0.175579194346285 - phi( 16 )= -1.36810876000446 - phi( 13 )= -0.102933312019947 - phi( 13 )= -2.97876777894834 - phi( 9 )= 2.17249297149477 - phi( 8 )= 0.898779516995420 - phi( 6 )= 0.905024413967024 - phi( 11 )= -1.57451121233550 - phi( 17 )= 2.60909556361212 - phi( 17 )= 0.140621907120487 - phi( 17 )= -0.389562914810923 - phi( 17 )= -0.220000101993506 - phi( 17 )= 2.57342131951750 - phi( 20 )= -2.75049835605918 - phi( 7 )= -2.90296216086514 - phi( 10 )= 2.09962938307945 - phi( 12 )= -2.96107705241733 - phi( 15 )= 2.86209333079990 - phi( 7 )= 2.12834548032913 - phi( 19 )= 1.36000014837354 - phi( 10 )= 0.453207371256811 - phi( 10 )= 0.448355598109029 - phi( 10 )= -1.92760369087008 - phi( 17 )= -0.979457944314747 - phi( 19 )= -2.02797105178157 - phi( 19 )= 0.689238912769873 - phi( 19 )= -2.33838582397964 - phi( 19 )= 2.75138622434343 - phi( 8 )= -2.32404865819594 - phi( 21 )= -2.49660356034800 - phi( 16 )= 1.49887864992487 - phi( 15 )= 2.19857438463600 - phi( 9 )= -2.50492178188680 - phi( 19 )= 0.506534449684056 - phi( 7 )= -2.05867213121148 - phi( 9 )= 2.97114782271397 - phi( 9 )= -0.933230361424256 - phi( 13 )= -1.40978278728587 - phi( 12 )= 1.37127056839737 - phi( 17 )= -1.12286146116000 - phi( 17 )= -2.65268943683202 - phi( 19 )= 1.47668996684771 - phi( 18 )= -1.90905714498003 - phi( 17 )= -2.98597049261676 - phi( 18 )= 8.454724259006952E-003 -CG Processor: 0: bad sampling box. -CG Processor: 0: bad sampling box. -CG Processor: 0: bad sampling box. -CG Processor: 0: bad sampling box. -CG Processor: 0: bad sampling box. -CG Processor: 0: bad sampling box. -CG Processor: 0: bad sampling box. -CG Processor: 0: bad sampling box. -CG Processor: 0: bad sampling box. -CG Processor: 0: bad sampling box. -CG Processor: 0: bad sampling box. -CG Processor: 0: bad sampling box. -CG Processor: 0: bad sampling box. -CG Processor: 0: bad sampling box. -CG Processor: 0: bad sampling box. -CG Processor: 0: bad sampling box. -CG Processor: 0: bad sampling box. -CG Processor: 0: bad sampling box. -CG Processor: 0: bad sampling box. -CG Processor: 0: bad sampling box. -CG Processor: 0: bad sampling box. -CG Processor: 0: bad sampling box. -CG Processor: 0: bad sampling box. -CG Processor: 0: bad sampling box. -CG Processor: 0: bad sampling box. -CG Processor: 0: bad sampling box. -CG Processor: 0: bad sampling box. -CG Processor: 0: bad sampling box. -CG Processor: 0: bad sampling box. -CG Processor: 0: bad sampling box. -CG Processor: 0: bad sampling box. -CG Processor: 0: bad sampling box. -CG Processor: 0: bad sampling box. -CG Processor: 0: bad sampling box. -CG Processor: 0: bad sampling box. -CG Processor: 0: bad sampling box. -CG Processor: 0: bad sampling box. -CG Processor: 0: bad sampling box. -CG Processor: 0: bad sampling box. -CG Processor: 0: bad sampling box. -CG Processor: 0: bad sampling box. -CG Processor: 0: bad sampling box. -CG Processor: 0: bad sampling box. -CG Processor: 0: bad sampling box. -CG Processor: 0: bad sampling box. -CG Processor: 0: bad sampling box. -CG Processor: 0: bad sampling box. -CG Processor: 0: bad sampling box. -CG Processor: 0: bad sampling box. -CG Processor: 0: bad sampling box. -CG Processor: 0: bad sampling box. -CG Processor: 0: bad sampling box. -CG Processor: 0: bad sampling box. -CG Processor: 0: bad sampling box. -CG Processor: 0: bad sampling box. -CG Processor: 0: bad sampling box. -CG Processor: 0: bad sampling box. -CG Processor: 0: bad sampling box. -CG Processor: 0: bad sampling box. -CG Processor: 0: bad sampling box. -CG Processor: 0: bad sampling box. -CG Processor: 0: bad sampling box. -CG Processor: 0: bad sampling box. -CG Processor: 0: bad sampling box. -CG Processor: 0: bad sampling box. -CG Processor: 0: bad sampling box. -CG Processor: 0: bad sampling box. -CG Processor: 0: bad sampling box. -CG Processor: 0: bad sampling box. -CG Processor: 0: bad sampling box. -CG Processor: 0: bad sampling box. -CG Processor: 0: bad sampling box. -CG Processor: 0: bad sampling box. -CG Processor: 0: bad sampling box. -CG Processor: 0: bad sampling box. -CG Processor: 0: bad sampling box. -CG Processor: 0: bad sampling box. -CG Processor: 0: bad sampling box. -CG Processor: 0: bad sampling box. -CG Processor: 0: bad sampling box. -CG Processor: 0: bad sampling box. -CG Processor: 0: bad sampling box. -CG Processor: 0: bad sampling box. -CG Processor: 0: bad sampling box. -CG Processor: 0: bad sampling box. -CG Processor: 0: bad sampling box. -CG Processor: 0: bad sampling box. -CG Processor: 0: bad sampling box. -CG Processor: 0: bad sampling box. -CG Processor: 0: bad sampling box. -CG Processor: 0: bad sampling box. -CG Processor: 0: bad sampling box. -CG Processor: 0: bad sampling box. -CG Processor: 0: bad sampling box. -CG Processor: 0: bad sampling box. -CG Processor: 0: bad sampling box. -CG Processor: 0: bad sampling box. -CG Processor: 0: bad sampling box. -CG Processor: 0: bad sampling box. -CG Processor: 0: bad sampling box. -CG Processor: 0: bad sampling box. - phi( 9 )= 1.71890286661903 - phi( 11 )= 0.215802129693885 - phi( 9 )= -0.380270249069808 - phi( 9 )= 0.156374302091001 - phi( 9 )= 0.235323568375525 - phi( 9 )= -0.932374152759034 - phi( 14 )= -2.06184760347506 - phi( 14 )= 2.13731317880282 - phi( 9 )= 1.11599316765033 - phi( 9 )= -0.443815795536797 - phi( 13 )= 1.45686746220668 - phi( 12 )= 1.07607675964155 - phi( 20 )= -0.453979159382911 - phi( 7 )= -1.84710732431630 - phi( 7 )= -3.07152052847982 - phi( 14 )= -3.13537402175655 - phi( 13 )= -1.27820477926497 - phi( 9 )= -1.93343959941299 - phi( 9 )= 2.84841141864536 - phi( 7 )= -1.86255943878301 - phi( 6 )= 0.265245976232038 - phi( 16 )= -2.32842147939030 - phi( 14 )= 0.788697047127379 - phi( 13 )= -1.02800230154685 - phi( 15 )= 1.22933075457669 - phi( 16 )= -2.58394095326015 - phi( 21 )= -0.763706079153428 - phi( 11 )= 2.07283903577036 - phi( 4 )= -3.031424321188947E-002 - phi( 9 )= 2.23209956367404 - phi( 9 )= -1.26703097956900 - phi( 7 )= -3.489738610090232E-002 - phi( 11 )= -0.552075647649071 - phi( 11 )= -0.649857287064127 - phi( 10 )= 2.16162781848452 - phi( 9 )= 1.79807240273305 - phi( 8 )= 3.03149282432747 - phi( 9 )= 1.09473413272152 - phi( 9 )= 3.09510069592668 - phi( 9 )= 5.789302250066619E-002 - phi( 9 )= -2.95420080125798 - phi( 11 )= -0.106217109046995 - phi( 7 )= -1.60121119450583 - phi( 17 )= -2.22518032588396 - phi( 19 )= 2.04290638147266 - phi( 7 )= -2.54445469078482 - phi( 7 )= -0.223141047683267 - phi( 6 )= 3.04295893098748 - phi( 7 )= -0.689115399162080 - phi( 17 )= 1.64943924693705 - phi( 9 )= -0.602768181748633 - phi( 12 )= 2.99062678026092 - phi( 15 )= -1.18445597565267 - phi( 15 )= -2.42564522967873 - phi( 15 )= -1.95834233337491 - phi( 14 )= 0.667769324628216 - phi( 14 )= 2.36341243891336 - phi( 15 )= -2.59202399490425 - phi( 18 )= -2.85089286252060 - phi( 8 )= -0.859656576415938 - phi( 9 )= -2.38058073881586 - phi( 19 )= -2.70666420488006 - phi( 8 )= -2.52800868667634 - phi( 9 )= -1.99040174029388 - phi( 4 )= 2.81545206849846 - phi( 9 )= -1.98409393777654 - phi( 9 )= 0.200179791894833 - phi( 9 )= -0.779008146890878 - phi( 11 )= -2.54940133247736 - phi( 9 )= 0.417954058735391 - phi( 18 )= -0.905520649025576 - phi( 7 )= 0.912982010732171 - phi( 7 )= 1.83983648971232 - phi( 11 )= -2.80497379615795 - phi( 17 )= 1.05568721237581 - phi( 7 )= 1.47773207181856 - phi( 12 )= 2.30189957138954 - phi( 14 )= 2.54578239180772 - phi( 9 )= 0.949697917784491 - phi( 11 )= -2.34034606079738 - phi( 10 )= 1.77737163798711 - phi( 9 )= -2.91331103893442 - phi( 8 )= 2.66451726630955 -CG Processor: 0: bad sampling box. -CG Processor: 0: bad sampling box. -CG Processor: 0: bad sampling box. -CG Processor: 0: bad sampling box. -CG Processor: 0: bad sampling box. -CG Processor: 0: bad sampling box. -CG Processor: 0: bad sampling box. -CG Processor: 0: bad sampling box. -CG Processor: 0: bad sampling box. -CG Processor: 0: bad sampling box. -CG Processor: 0: bad sampling box. -CG Processor: 0: bad sampling box. -CG Processor: 0: bad sampling box. -CG Processor: 0: bad sampling box. -CG Processor: 0: bad sampling box. -CG Processor: 0: bad sampling box. -CG Processor: 0: bad sampling box. -CG Processor: 0: bad sampling box. -CG Processor: 0: bad sampling box. -CG Processor: 0: bad sampling box. -CG Processor: 0: bad sampling box. -CG Processor: 0: bad sampling box. -CG Processor: 0: bad sampling box. -CG Processor: 0: bad sampling box. -CG Processor: 0: bad sampling box. -CG Processor: 0: bad sampling box. -CG Processor: 0: bad sampling box. -CG Processor: 0: bad sampling box. -CG Processor: 0: bad sampling box. -CG Processor: 0: bad sampling box. -CG Processor: 0: bad sampling box. -CG Processor: 0: bad sampling box. -CG Processor: 0: bad sampling box. -CG Processor: 0: bad sampling box. -CG Processor: 0: bad sampling box. -CG Processor: 0: bad sampling box. -CG Processor: 0: bad sampling box. -CG Processor: 0: bad sampling box. -CG Processor: 0: bad sampling box. -CG Processor: 0: bad sampling box. -CG Processor: 0: bad sampling box. -CG Processor: 0: bad sampling box. -CG Processor: 0: bad sampling box. -CG Processor: 0: bad sampling box. -CG Processor: 0: bad sampling box. -CG Processor: 0: bad sampling box. -CG Processor: 0: bad sampling box. -CG Processor: 0: bad sampling box. -CG Processor: 0: bad sampling box. -CG Processor: 0: bad sampling box. -CG Processor: 0: bad sampling box. -CG Processor: 0: bad sampling box. -CG Processor: 0: bad sampling box. -CG Processor: 0: bad sampling box. -CG Processor: 0: bad sampling box. -CG Processor: 0: bad sampling box. -CG Processor: 0: bad sampling box. -CG Processor: 0: bad sampling box. -CG Processor: 0: bad sampling box. -CG Processor: 0: bad sampling box. -CG Processor: 0: bad sampling box. -CG Processor: 0: bad sampling box. -CG Processor: 0: bad sampling box. -CG Processor: 0: bad sampling box. -CG Processor: 0: bad sampling box. -CG Processor: 0: bad sampling box. -CG Processor: 0: bad sampling box. -CG Processor: 0: bad sampling box. -CG Processor: 0: bad sampling box. -CG Processor: 0: bad sampling box. -CG Processor: 0: bad sampling box. -CG Processor: 0: bad sampling box. -CG Processor: 0: bad sampling box. -CG Processor: 0: bad sampling box. -CG Processor: 0: bad sampling box. -CG Processor: 0: bad sampling box. -CG Processor: 0: bad sampling box. -CG Processor: 0: bad sampling box. -CG Processor: 0: bad sampling box. -CG Processor: 0: bad sampling box. -CG Processor: 0: bad sampling box. -CG Processor: 0: bad sampling box. -CG Processor: 0: bad sampling box. -CG Processor: 0: bad sampling box. -CG Processor: 0: bad sampling box. -CG Processor: 0: bad sampling box. -CG Processor: 0: bad sampling box. -CG Processor: 0: bad sampling box. -CG Processor: 0: bad sampling box. -CG Processor: 0: bad sampling box. -CG Processor: 0: bad sampling box. -CG Processor: 0: bad sampling box. -CG Processor: 0: bad sampling box. -CG Processor: 0: bad sampling box. -CG Processor: 0: bad sampling box. -CG Processor: 0: bad sampling box. -CG Processor: 0: bad sampling box. -CG Processor: 0: bad sampling box. -CG Processor: 0: bad sampling box. -CG Processor: 0: bad sampling box. -CG Processor: 0: bad sampling box. - phi( 8 )= -1.70566691925215 - phi( 7 )= -2.82356407126671 - phi( 9 )= -2.12599146359603 - phi( 17 )= -1.22814479106347 - phi( 17 )= -1.62068762044187 - phi( 7 )= 2.59405679355160 - phi( 17 )= 2.16703284746540 - phi( 9 )= 1.94191629746818 - phi( 13 )= 0.325070109698566 - phi( 13 )= 1.14401741561937 - phi( 10 )= -2.19929864494114 - phi( 9 )= -1.76833396030287 - phi( 18 )= 1.42231711348462 - phi( 19 )= 2.05384220117273 - phi( 7 )= -5.309130703573661E-002 - phi( 11 )= 1.88783922729532 - phi( 18 )= 1.88664889506355 - phi( 17 )= -0.872949584422668 - phi( 7 )= -2.13828556630095 - phi( 17 )= -2.50500283712902 - phi( 21 )= -0.382571787845482 - phi( 20 )= 2.09935186658735 - phi( 9 )= -1.29497345443065 - phi( 17 )= 0.954070576304869 - phi( 6 )= -1.52473765234991 - phi( 8 )= 2.83763635865961 - phi( 7 )= 1.63759152998592 - phi( 19 )= 1.45656679038203 - phi( 9 )= -0.320170248817524 - phi( 9 )= -2.40040962913953 - phi( 8 )= 2.40240347439681 - phi( 9 )= 2.61008382972799 - phi( 14 )= -2.62202641157432 - phi( 14 )= -1.89870683148924 - phi( 9 )= 2.51444766054035 - phi( 11 )= -2.88063054474418 - phi( 16 )= -1.99332068487241 - phi( 19 )= 1.30081481675507 - Make_RanVar!!!!! m= 200 itrial= 203 - Exitted from make_ranvar nconfr= 200 - FEEDIN: NCONF= 200 - UPDATING 389 389 - UPDATING 420 420 - UPDATING 420 420 - UPDATING 420 420 - UPDATING 420 420 - UPDATING 420 420 - UPDATING 420 420 - UPDATING 420 420 - UPDATING 420 420 - UPDATING 420 420 - UPDATING 420 420 - UPDATING 420 420 - UPDATING 420 420 - UPDATING 420 420 - UPDATING 420 420 - UPDATING 420 420 - UPDATING 420 420 - UPDATING 420 420 - UPDATING 420 420 - UPDATING 420 420 - UPDATING 420 420 - UPDATING 420 420 - UPDATING 420 420 - UPDATING 420 420 - UPDATING 420 420 - UPDATING 420 420 - UPDATING 420 420 - UPDATING 420 420 - UPDATING 420 420 - UPDATING 420 420 - UPDATING 420 420 - UPDATING 420 420 - UPDATING 420 420 - UPDATING 420 420 - UPDATING 420 420 - UPDATING 420 420 - UPDATING 420 420 - UPDATING 420 420 - UPDATING 420 420 - UPDATING 420 420 - UPDATING 420 420 - UPDATING 420 420 - UPDATING 420 420 - UPDATING 420 420 - UPDATING 420 420 - UPDATING 420 420 - UPDATING 420 420 - UPDATING 420 420 - UPDATING 420 420 - UPDATING 420 420 - UPDATING 420 420 - UPDATING 420 420 - UPDATING 420 420 - UPDATING 420 420 - UPDATING 420 420 - UPDATING 420 420 - UPDATING 420 420 - UPDATING 420 420 - UPDATING 420 420 - UPDATING 420 420 - UPDATING 420 420 - UPDATING 420 420 - UPDATING 420 420 - UPDATING 420 420 - UPDATING 420 420 - UPDATING 420 420 - UPDATING 420 420 - UPDATING 420 420 - UPDATING 420 420 - UPDATING 420 420 - UPDATING 420 420 - UPDATING 420 420 - UPDATING 420 420 - UPDATING 420 420 - UPDATING 420 420 - UPDATING 420 420 - UPDATING 420 420 - UPDATING 420 420 - UPDATING 420 420 - UPDATING 420 420 - UPDATING 420 420 - UPDATING 420 420 - UPDATING 420 420 - UPDATING 420 420 - UPDATING 420 420 - UPDATING 420 420 - UPDATING 420 420 - UPDATING 420 420 - UPDATING 420 420 - UPDATING 420 420 - UPDATING 420 420 - UPDATING 420 420 - UPDATING 420 420 - UPDATING 420 420 - UPDATING 420 420 - UPDATING 420 420 - UPDATING 420 420 - UPDATING 420 420 - UPDATING 420 420 - UPDATING 420 420 - UPDATING 420 420 - End of minim, proc 1 time 194.410156250000 - End of minim, proc 2 time 194.410156250000 - End of minim, proc 3 time 194.410156250000 - End of minim, proc 4 time 194.406250000000 - End of minim, proc 6 time 194.406250000000 - End of minim, proc 5 time 194.406250000000 - End of minim, proc 8 time 194.406250000000 - End of minim, proc 7 time 191.367187500000 - End of minim, proc 9 time 194.406250000000 - End of minim, proc 12 time 194.402343750000 - End of minim, proc 10 time 194.410156250000 - End of minim, proc 11 time 194.406250000000 - End of minim, proc 14 time 194.402343750000 - End of minim, proc 13 time 194.402343750000 - End of minim, proc 15 time 191.468750000000 - End of minim, proc 16 time 194.406250000000 - End of minim, proc 18 time 194.406250000000 - End of minim, proc 17 time 194.406250000000 - End of minim, proc 20 time 194.394531250000 - End of minim, proc 19 time 194.402343750000 - End of minim, proc 21 time 194.390625000000 - End of minim, proc 22 time 194.390625000000 - End of minim, proc 23 time 191.359375000000 - End of minim, proc 24 time 194.417968750000 - End of minim, proc 25 time 194.414062500000 - End of minim, proc 26 time 194.414062500000 - End of minim, proc 27 time 194.414062500000 - End of minim, proc 28 time 194.417968750000 - End of cycle, master time for 101 iters 193.894531250000 - sec, Eval/s 65158.3617059855 - End of minim, proc 29 time 194.417968750000 - End of minim, proc 30 time 194.417968750000 - End of minim, proc 31 time 191.480468750000 - UPDATING 31 32 - End of RUN, master time 194.328125000000 sec, Eval/s - 65012.9774061269 -CG processor 0 is finishing work. -CG processor 2 is finishing work. -CG processor 1 is finishing work. -CG processor 18 is finishing work. -CG processor 6 is finishing work. -CG processor 17 is finishing work. -CG processor 10 is finishing work. -CG processor 16 is finishing work. -CG processor 9 is finishing work. -CG processor 8 is finishing work. -CG processor 11 is finishing work. -CG processor 5 is finishing work. -CG processor 21 is finishing work. -CG processor 19 is finishing work. -CG processor 29 is finishing work. -CG processor 4 is finishing work. -CG processor 12 is finishing work. -CG processor 23 is finishing work. -CG processor 14 is finishing work. -CG processor 24 is finishing work. -CG processor 20 is finishing work. -CG processor 22 is finishing work. -CG processor 30 is finishing work. -CG processor 3 is finishing work. -CG processor 26 is finishing work. -CG processor 7 is finishing work. -CG processor 13 is finishing work. -CG processor 15 is finishing work. -CG processor 31 is finishing work. -CG processor 28 is finishing work. -CG processor 25 is finishing work. -CG processor 27 is finishing work. --------------------------------------- -Running PBS epilogue script - -Killing processes of user bartek on the batch nodes -Doing node m11 -Doing node m11 -Doing node m11 -Doing node m11 -Doing node m10 -Doing node m10 -Doing node m10 -Doing node m10 -Doing node m09 -Doing node m09 -Doing node m09 -Doing node m09 -Doing node m08 -Doing node m08 -Doing node m08 -Doing node m08 -Doing node m06 -Doing node m06 -Doing node m06 -Doing node m06 -Doing node m05 -Doing node m05 -Doing node m05 -Doing node m05 -Doing node m04 -Doing node m04 -Doing node m04 -Doing node m04 -Doing node m03 -Doing node m03 -Doing node m03 -Doing node m03 -Done. diff --git a/examples/unres/CSA/GAB/CSA/local/1l2y_csa.CSA.bank b/examples/unres/CSA/GAB/CSA/local/1l2y_csa.CSA.bank new file mode 100644 index 0000000..832e202 --- /dev/null +++ b/examples/unres/CSA/GAB/CSA/local/1l2y_csa.CSA.bank @@ -0,0 +1,4202 @@ + jlee = 1 nbank = 200 nstep = 22200 6852472 2 60.01936 + nglob_csa = 27 eglob_csa = -9.08499E+01 + # 1 total E -8.88908E+01 rmsd from N 2.795 %NC 0.53 1 + 115.768 172.315 151.291 -12.712 + 91.603 75.685 137.137 -43.764 + 92.029 43.533 124.242 122.439 + 90.832 47.844 144.974 -95.066 + 89.706 43.232 124.446-108.372 + 90.841 50.498 156.489 -12.667 + 90.706 44.321 136.343-172.634 + 91.742 74.164 106.658 -98.353 + 90.508 -63.933 126.991-143.547 + 106.133 -69.120 180.000 180.000 + 99.971 -27.125 180.000 180.000 + 93.170 103.167 135.559-161.108 + 93.864 91.396 114.646 -76.662 + 126.785 -85.975 122.006 -77.634 + 95.420 90.180 180.000 180.000 + 130.624 -75.978 140.093-133.081 + 120.745-116.563 109.149-114.486 + 120.232-136.366 109.631-108.771 + 117.983-118.752 121.879-126.423 + 121.890 0.000 121.574 -81.058 + # 2 total E -8.71355E+01 rmsd from N 2.050 %NC 0.67 1 + 112.721 156.573 149.244 -38.258 + 91.965 86.604 137.045 -17.135 + 90.623 45.176 104.097 -84.152 + 89.627 43.661 150.169 -99.480 + 90.765 44.933 120.817-130.001 + 91.182 44.624 138.424 83.478 + 91.225 44.616 129.650-138.227 + 93.010 75.293 139.553-139.079 + 90.974 -70.947 148.668 -27.939 + 105.471 -53.211 180.000 180.000 + 111.954 -66.042 180.000 180.000 + 93.064 72.786 137.286-165.242 + 92.787 112.889 114.379 -76.891 + 122.190 -89.584 122.257-133.374 + 95.428 74.826 180.000 180.000 + 118.528 -76.099 135.004 -48.325 + 119.486-118.784 107.422-108.008 + 118.516-115.674 141.542-156.315 + 117.650-118.294 123.905-128.335 + 121.865 0.000 121.428 -81.089 + # 3 total E -8.73004E+01 rmsd from N 2.305 %NC 0.60 1 + 115.226 162.248 147.543 -19.764 + 91.547 83.456 141.007 -21.592 + 91.468 41.252 125.418 120.846 + 90.579 46.763 150.950 -93.366 + 90.764 44.731 120.420-127.322 + 91.187 48.261 146.660 93.022 + 91.189 40.531 137.923-126.292 + 93.321 70.186 136.211-135.361 + 92.029 -72.958 142.203-133.709 + 109.616 -44.845 180.000 180.000 + 114.941 -72.370 180.000 180.000 + 93.621 65.852 131.787-157.871 + 93.266 123.000 114.926 -76.945 + 117.862 -84.288 125.960-144.389 + 95.360 69.803 180.000 180.000 + 120.097 -82.505 127.409 -49.750 + 123.828-163.867 109.789-108.161 + 119.051-113.133 117.319-119.415 + 117.332-118.587 125.902-132.703 + 121.787 0.000 121.566 -80.883 + # 4 total E -8.74119E+01 rmsd from N 2.435 %NC 0.67 1 + 93.864 105.369 146.545 -10.888 + 91.488 74.417 135.261 -34.711 + 92.433 42.436 130.569 114.182 + 91.317 43.764 141.060 -92.894 + 89.945 45.441 116.678-115.218 + 90.704 48.649 162.492 -20.261 + 90.954 46.313 139.807 170.231 + 92.155 58.761 110.367-100.437 + 93.081 -69.242 114.651 -80.088 + 121.952 -41.439 180.000 180.000 + 125.595 -61.170 180.000 180.000 + 93.454 61.542 99.849 -94.110 + 92.920 130.671 123.398 132.742 + 116.685 -69.868 133.011-146.164 + 94.559 67.920 180.000 180.000 + 122.531 -88.878 128.036-116.607 + 120.299-110.894 113.872-118.509 + 118.479-138.652 112.856-113.413 + 116.825-118.588 129.450-138.475 + 121.776 0.000 121.625 -80.807 + # 5 total E -8.97937E+01 rmsd from N 2.814 %NC 0.53 1 + 93.867 102.473 146.293 -10.912 + 91.421 71.386 137.710 -40.273 + 91.686 44.055 125.036 122.161 + 90.689 47.547 143.621 -94.312 + 89.668 43.741 122.551-113.367 + 90.803 50.133 156.631 -11.563 + 90.692 44.142 136.169-173.569 + 91.770 74.156 107.408 -98.423 + 90.509 -63.957 127.145-143.398 + 106.195 -69.198 180.000 180.000 + 99.972 -27.088 180.000 180.000 + 93.189 103.186 135.522-161.023 + 93.895 91.175 114.646 -76.664 + 127.215 -85.718 122.153 -77.614 + 95.449 89.869 180.000 180.000 + 130.393 -75.995 140.292-132.793 + 120.780-116.491 109.286-114.678 + 120.210-136.549 109.523-108.614 + 117.930-118.753 122.233-127.008 + 121.891 0.000 121.579 -81.051 + # 6 total E -8.82537E+01 rmsd from N 2.550 %NC 0.47 1 + 93.868 105.617 146.422 -10.308 + 91.454 69.980 142.627 -50.452 + 91.367 41.059 80.221 -90.857 + 91.822 52.194 147.553 -94.951 + 90.089 40.856 123.711-121.459 + 91.009 59.712 132.023 -91.355 + 89.884 39.544 130.367-171.710 + 92.168 68.526 103.707-100.802 + 91.185 -64.594 138.654-138.750 + 108.493 -66.157 180.000 180.000 + 100.020 -28.671 180.000 180.000 + 92.893 104.802 143.373-172.879 + 92.644 101.412 114.372 -76.679 + 121.669 -87.883 118.033 -84.286 + 95.675 81.950 180.000 180.000 + 132.673 -79.313 125.037-117.097 + 119.351-106.213 119.766-127.946 + 119.115-136.911 106.745-106.375 + 117.966-118.762 121.855-125.888 + 121.900 0.000 121.570 -81.078 + # 7 total E -8.78790E+01 rmsd from N 3.071 %NC 0.53 1 + 93.865 111.802 146.801 -10.696 + 91.500 76.363 131.419 -34.843 + 92.708 37.571 134.237 119.423 + 92.068 51.007 141.590 -89.508 + 90.207 39.605 119.479-122.656 + 90.938 56.434 140.103 -37.845 + 90.527 42.854 141.060 174.383 + 91.300 70.182 94.248 -76.590 + 91.835 -64.276 134.422-129.015 + 117.373 -47.469 180.000 180.000 + 118.430 -60.038 180.000 180.000 + 93.613 71.840 101.005 -64.828 + 93.880 116.126 114.228 -76.286 + 96.961 -69.033 116.714 -77.655 + 94.778 93.068 180.000 180.000 + 130.278 -64.365 137.258-155.363 + 119.815-113.866 108.069-114.141 + 121.228-138.545 110.316-108.544 + 117.464-118.790 124.811-131.791 + 121.870 0.000 121.627 -80.991 + # 8 total E -8.71645E+01 rmsd from N 2.629 %NC 0.53 1 + 119.113-120.447 110.983 -83.073 + 91.640 73.189 139.669 -37.552 + 91.482 44.137 123.653 120.999 + 90.280 47.486 143.693 -93.141 + 89.804 44.557 119.745-123.004 + 90.855 45.746 151.488 -1.903 + 91.344 43.339 135.204-164.988 + 92.945 65.242 138.109-132.762 + 91.837 -62.009 120.586 -85.638 + 116.785 -73.549 180.000 180.000 + 118.103 -46.859 180.000 180.000 + 92.681 73.533 135.895-162.775 + 92.319 99.138 112.483 -76.287 + 127.450 -76.369 119.524 -86.360 + 95.474 76.440 180.000 180.000 + 127.412 -78.648 152.347-133.349 + 120.742-115.091 110.227-115.549 + 119.916-136.108 111.483-111.131 + 118.112-118.701 121.049-124.595 + 121.890 0.000 121.554 -81.067 + # 9 total E -8.72422E+01 rmsd from N 2.778 %NC 0.60 1 + 93.713 32.975 107.673 -80.054 + 91.579 65.761 135.852 -54.504 + 91.502 60.040 124.715 118.215 + 89.795 49.945 143.634 -98.221 + 89.690 43.653 119.607-114.058 + 91.266 51.270 161.976 0.300 + 90.759 39.844 130.405-171.712 + 92.230 73.457 103.508 -96.585 + 91.005 -61.698 130.666-136.087 + 107.785 -68.875 180.000 180.000 + 101.312 -27.886 180.000 180.000 + 93.244 99.394 133.348-158.238 + 93.866 108.564 114.054 -78.979 + 131.184 -96.505 134.216-155.881 + 95.310 81.308 180.000 180.000 + 125.577 -66.608 132.847 -80.891 + 119.508-111.877 110.347-116.208 + 120.026-135.990 111.561-111.057 + 118.223-118.673 120.375-124.465 + 121.889 0.000 121.542 -81.072 + # 10 total E -8.73736E+01 rmsd from N 2.476 %NC 0.67 1 + 93.865 104.771 146.509 -10.542 + 91.399 72.029 132.974 -42.464 + 92.273 41.387 133.115 117.505 + 91.160 49.496 142.351 -91.614 + 89.904 40.469 120.958-120.529 + 90.851 57.720 155.817 -76.931 + 90.378 37.797 137.386 170.213 + 91.673 62.544 102.718 -99.495 + 92.390 -67.769 132.456-122.168 + 117.625 -50.916 180.000 180.000 + 122.359 -53.940 180.000 180.000 + 92.698 73.823 99.046 -94.085 + 92.998 128.461 113.408 -77.588 + 118.136 -75.855 137.377-156.502 + 95.419 71.536 180.000 180.000 + 127.696 -86.672 125.247-117.321 + 119.661-111.202 116.719-122.848 + 119.283-138.245 108.548-107.721 + 117.155-118.734 127.518-135.653 + 121.823 0.000 121.638 -80.891 + # 11 total E -8.85006E+01 rmsd from N 2.828 %NC 0.53 1 + 93.903 117.894 144.755 -11.791 + 91.215 87.753 131.099 1.710 + 90.424 49.507 138.584 109.707 + 89.624 46.778 145.240 -91.852 + 89.166 47.121 126.823-143.870 + 89.461 49.307 145.598 -8.364 + 90.224 45.610 140.950-157.756 + 91.719 76.735 133.397-132.657 + 90.394 -58.109 131.809-138.961 + 106.343 -71.030 180.000 180.000 + 100.763 -28.882 180.000 180.000 + 92.952 102.993 138.032-165.521 + 94.109 94.321 113.166 -77.074 + 126.150 -80.786 127.119 -78.615 + 96.407 81.880 180.000 180.000 + 128.605 -83.272 147.264 -31.768 + 119.999-113.165 111.159-112.641 + 119.788-134.854 110.195-110.401 + 118.302-118.700 119.517-123.749 + 121.892 0.000 121.546 -81.076 + # 12 total E -8.95299E+01 rmsd from N 2.632 %NC 0.47 1 + 93.854 101.631 146.893 -11.565 + 91.444 73.816 139.537 -35.321 + 91.114 45.572 123.015 119.623 + 90.110 45.722 142.731 -91.509 + 89.684 44.912 118.287-122.995 + 90.421 47.366 157.451 15.125 + 90.745 46.436 135.143-174.967 + 92.016 75.854 136.438-128.587 + 90.312 -64.412 130.091-138.187 + 103.955 -68.169 180.000 180.000 + 99.064 -29.393 180.000 180.000 + 93.109 104.007 137.169-163.987 + 93.992 96.043 114.374 -76.820 + 124.195 -91.375 118.815 -77.649 + 94.709 84.434 180.000 180.000 + 131.799 -64.179 137.240-106.969 + 120.744-134.856 105.423-108.793 + 118.816-113.823 109.016-108.963 + 116.912-118.493 130.887-141.797 + 121.743 0.000 121.592 -80.754 + # 13 total E -8.72895E+01 rmsd from N 3.109 %NC 0.53 1 + 93.710 36.217 108.216 -80.416 + 91.623 72.106 135.647 -42.876 + 91.950 43.375 128.171 121.476 + 91.092 49.418 143.365 -94.024 + 89.754 41.307 126.303-104.326 + 90.885 52.944 152.388 -26.350 + 90.677 41.165 134.945 177.937 + 91.718 69.752 102.841 -96.175 + 91.774 -65.403 132.855-125.215 + 115.944 -46.152 180.000 180.000 + 119.101 -58.857 180.000 180.000 + 93.550 71.945 104.031 -75.455 + 93.052 116.761 126.421 124.013 + 110.285 -65.697 126.905-134.814 + 94.128 79.739 180.000 180.000 + 125.780 -66.864 140.125-141.905 + 120.865-112.199 109.253-114.434 + 120.244-138.087 111.091-110.305 + 117.429-118.759 124.553-130.892 + 121.865 0.000 121.617 -80.987 + # 14 total E -8.70455E+01 rmsd from N 2.434 %NC 0.60 1 + 93.799 92.798 147.381 -15.500 + 91.404 72.528 144.463 -42.651 + 89.867 54.733 119.332 121.286 + 88.008 49.316 141.995 -92.655 + 88.654 48.901 120.830-128.232 + 89.295 47.263 150.920 9.735 + 90.333 46.858 137.871-166.722 + 92.014 78.863 134.376-132.728 + 90.065 -61.980 134.360-131.165 + 102.971 -68.694 180.000 180.000 + 98.444 -28.464 180.000 180.000 + 93.370 105.551 136.697-163.290 + 94.326 104.785 115.697 -76.584 + 118.177 -90.891 119.856 -75.154 + 95.114 80.275 180.000 180.000 + 131.514 -71.801 130.377 -93.173 + 119.097-105.135 116.093-122.514 + 118.389-137.166 108.826-108.892 + 117.968-118.585 122.395-130.669 + 121.998 0.000 121.652 -80.926 + # 15 total E -8.71517E+01 rmsd from N 3.066 %NC 0.53 1 + 119.137-116.821 110.327 -82.747 + 91.655 71.546 136.587 -39.066 + 91.810 43.521 128.929 120.974 + 90.997 48.619 143.323 -94.130 + 89.585 42.067 126.287-103.799 + 90.534 53.752 153.955 -25.158 + 90.468 42.207 134.257 172.967 + 91.482 70.976 103.560 -98.851 + 91.358 -63.212 131.369-133.273 + 112.226 -57.591 180.000 180.000 + 111.244 -50.461 180.000 180.000 + 93.198 86.100 102.485 -64.866 + 94.098 103.132 112.695 -76.746 + 120.157 -68.774 122.374 -81.362 + 94.806 82.179 180.000 180.000 + 127.437 -66.142 142.348-141.887 + 120.283-112.914 107.885-112.764 + 120.688-138.047 109.973-108.612 + 117.510-118.764 124.447-131.445 + 121.865 0.000 121.614 -80.988 + # 16 total E -8.73418E+01 rmsd from N 2.273 %NC 0.60 1 + 93.860 106.003 146.683 -10.880 + 91.487 74.991 136.772 -33.708 + 92.184 43.247 126.779 114.928 + 90.992 43.835 142.353 -93.836 + 89.926 45.338 116.764-116.892 + 90.660 51.010 167.404 -0.377 + 90.681 45.250 142.571-177.158 + 91.810 73.278 108.694-102.591 + 90.885 -66.333 127.858-139.178 + 104.274 -65.026 180.000 180.000 + 99.785 -31.245 180.000 180.000 + 92.784 103.041 134.377-160.803 + 94.189 106.265 112.734 -77.254 + 124.294 -91.593 120.710 -77.918 + 94.942 84.717 180.000 180.000 + 131.002 -74.851 132.053-107.224 + 120.447-117.727 104.198-106.246 + 103.591-166.807 101.743-101.909 + 116.875-118.695 128.668-140.448 + 121.761 0.000 121.638 -80.770 + # 17 total E -8.77081E+01 rmsd from N 2.990 %NC 0.60 1 + 118.824-152.720 111.706 -77.839 + 91.565 89.555 137.509 -11.316 + 90.838 44.358 134.446 113.777 + 90.181 47.019 145.516 -91.527 + 89.461 45.733 123.758-134.712 + 89.576 50.129 146.196 -12.188 + 90.222 43.567 141.406-160.180 + 91.751 74.707 133.293-133.417 + 90.630 -56.030 133.581-133.731 + 109.239 -71.017 180.000 180.000 + 101.606 -26.778 180.000 180.000 + 92.796 99.797 139.435-167.271 + 92.753 104.067 114.616 -78.317 + 120.944 -84.630 128.824-151.790 + 95.550 77.778 180.000 180.000 + 128.330 -80.443 144.868 -39.475 + 119.662-111.520 113.271-116.190 + 119.568-134.728 110.171-110.504 + 118.326-118.701 119.232-123.549 + 121.891 0.000 121.546 -81.074 + # 18 total E -8.69406E+01 rmsd from N 3.471 %NC 0.53 1 + 115.521 161.570 145.999 -18.999 + 91.586 87.333 139.335 -13.742 + 91.379 41.770 143.237 111.091 + 90.872 48.520 142.071 -91.010 + 89.596 44.373 119.918-132.111 + 89.474 60.932 140.379 -34.032 + 89.886 42.393 141.124 170.398 + 91.121 73.360 92.131 -77.676 + 91.322 -53.762 135.621-134.008 + 111.676 -67.374 180.000 180.000 + 101.987 -31.360 180.000 180.000 + 92.647 100.802 109.610 -89.413 + 93.301 102.602 112.413 -79.468 + 119.735 -73.808 130.750-155.264 + 95.403 82.749 180.000 180.000 + 127.201 -71.535 151.289 -27.920 + 119.772-109.882 107.158-107.528 + 119.809-137.744 108.952-108.529 + 117.600-118.816 123.949-132.103 + 121.865 0.000 121.628 -80.978 + # 19 total E -8.72269E+01 rmsd from N 2.409 %NC 0.60 1 + 93.927 125.861 145.787 -3.611 + 91.415 84.956 137.637 -32.472 + 91.644 46.086 123.799 100.419 + 90.186 43.054 150.618 -91.191 + 90.460 46.100 117.842-122.562 + 91.391 46.372 160.245 98.423 + 91.078 44.975 140.140-105.724 + 92.367 65.467 137.633-134.313 + 91.603 -85.926 133.299-125.668 + 107.503 -67.218 180.000 180.000 + 99.312 -28.323 180.000 180.000 + 93.168 103.720 143.038-171.386 + 93.488 100.690 114.771 -76.686 + 126.774 -99.775 117.280 -80.479 + 94.216 82.962 180.000 180.000 + 131.467 -64.826 128.064 -88.929 + 115.964-110.699 79.738 -93.297 + 116.931-142.379 111.866-114.061 + 116.353-118.045 132.702-145.509 + 121.654 0.000 121.571 -80.643 + # 20 total E -8.74989E+01 rmsd from N 2.336 %NC 0.67 1 + 93.925 122.252 144.755 -7.759 + 91.412 84.610 130.854 -20.343 + 91.464 41.062 131.890 108.041 + 90.604 47.938 146.939 -90.683 + 90.417 41.843 120.541-128.724 + 91.306 51.612 125.131 -3.421 + 91.002 35.728 147.830-132.823 + 92.618 62.351 132.582-133.293 + 92.646 -58.528 130.878-121.922 + 122.447-141.844 180.000 180.000 + 121.993 -29.460 180.000 180.000 + 92.733 66.881 136.434-163.885 + 92.503 66.563 111.946 -76.157 + 134.237 -97.941 114.784 -82.091 + 95.060 95.456 180.000 180.000 + 131.545 -61.868 160.568 -43.573 + 119.022-108.443 107.473-111.510 + 120.391-138.453 113.065-112.537 + 117.478-118.299 125.530-133.377 + 121.852 0.000 121.458 -81.040 + # 21 total E -8.77540E+01 rmsd from N 2.117 %NC 0.53 1 + 117.075-174.684 115.214 -81.355 + 91.620 89.219 131.685 -20.526 + 90.865 46.728 99.492 -87.988 + 89.785 43.635 148.299 -97.401 + 90.930 44.141 122.116-125.846 + 91.497 44.254 139.842 80.044 + 91.548 44.913 129.579-144.739 + 93.072 74.070 140.542-133.136 + 90.940 -68.459 141.768-139.218 + 105.945 -59.159 180.000 180.000 + 108.323 -62.190 180.000 180.000 + 92.675 77.387 136.758-164.820 + 93.418 101.376 113.089 -76.540 + 122.221 -84.355 123.966 -83.758 + 96.488 79.365 180.000 180.000 + 121.973 -78.706 145.579 -36.678 + 120.420-113.164 109.906-111.433 + 120.048-136.522 110.734-110.804 + 118.000-118.392 122.095-127.275 + 121.864 0.000 121.469 -81.065 + # 22 total E -8.72532E+01 rmsd from N 3.018 %NC 0.60 1 + 93.920 119.786 144.299 -10.229 + 91.597 86.717 137.344 -19.153 + 91.208 45.653 140.811 112.210 + 90.254 44.790 145.584 -94.411 + 89.131 48.753 121.742-123.627 + 89.534 58.622 155.461 -16.678 + 89.873 39.965 140.999-168.939 + 91.443 68.168 101.639-108.116 + 91.840 -64.306 134.260-121.513 + 114.928 -47.430 180.000 180.000 + 122.228 -68.213 180.000 180.000 + 93.377 69.180 109.853 -96.061 + 92.202 115.723 118.203 132.776 + 93.382 -55.549 126.151-158.265 + 97.146 81.646 180.000 180.000 + 128.553 -83.360 146.800 -27.726 + 120.953-106.628 117.759-120.786 + 120.038-136.265 110.057-109.238 + 118.075-118.785 120.796-127.286 + 121.892 0.000 121.583 -81.056 + # 23 total E -8.72471E+01 rmsd from N 2.692 %NC 0.60 1 + 93.849 94.113 146.651 -14.307 + 91.422 74.341 143.211-112.771 + 90.595 59.924 135.465 112.779 + 88.807 49.877 144.443 -96.950 + 89.116 46.276 120.770 -85.405 + 90.469 50.795 157.249 -3.279 + 90.625 42.498 134.366-162.746 + 91.966 75.261 103.486 -98.883 + 90.638 -61.822 128.366-142.774 + 105.577 -69.480 180.000 180.000 + 99.991 -28.017 180.000 180.000 + 93.376 104.233 136.937-163.461 + 94.857 96.227 114.126 -76.938 + 131.035 -84.276 130.107 -78.143 + 96.475 78.602 180.000 180.000 + 125.746 -80.502 139.482 -80.720 + 120.465-112.445 115.130-120.364 + 119.912-133.787 109.277-108.674 + 118.462-118.675 118.122-122.096 + 121.891 0.000 121.532 -81.081 + # 24 total E -8.74751E+01 rmsd from N 2.618 %NC 0.53 1 + 115.479 170.167 151.516 -14.112 + 91.614 77.242 138.598 -40.210 + 91.598 44.211 123.367 120.593 + 90.296 47.688 144.206 -92.535 + 89.803 44.418 119.945-122.991 + 90.874 45.766 151.351 -1.278 + 91.369 43.504 135.194-164.641 + 92.951 65.280 138.558-132.643 + 91.846 -62.046 120.073 -84.644 + 116.794 -73.433 180.000 180.000 + 118.308 -47.280 180.000 180.000 + 92.671 73.073 135.778-162.647 + 92.272 99.284 112.519 -76.282 + 127.504 -76.495 119.114 -86.492 + 95.431 76.460 180.000 180.000 + 127.385 -78.360 152.798-133.031 + 120.769-115.335 109.993-115.258 + 119.948-136.114 111.607-111.267 + 118.125-118.696 120.978-124.430 + 121.889 0.000 121.553 -81.066 + # 25 total E -8.70317E+01 rmsd from N 2.615 %NC 0.53 1 + 93.713 36.150 108.123 -80.305 + 91.540 69.537 137.789 -44.780 + 90.881 50.221 122.070 114.663 + 89.539 45.637 144.939 -90.544 + 89.830 44.426 119.059-119.441 + 90.226 51.734 158.649 40.747 + 90.235 42.407 139.139-165.343 + 91.874 70.604 132.065-133.636 + 90.799 -62.876 134.359-129.929 + 107.736 -67.922 180.000 180.000 + 102.037 -32.707 180.000 180.000 + 92.427 99.010 140.451-169.480 + 93.578 91.344 111.927 -78.934 + 119.220 -84.641 138.691-166.167 + 96.661 91.095 180.000 180.000 + 128.455 -81.776 146.368-130.806 + 121.551-115.091 109.560-113.066 + 119.260-136.137 112.395-113.180 + 118.141-118.672 120.997-124.361 + 121.886 0.000 121.548 -81.063 + # 26 total E -8.86803E+01 rmsd from N 2.308 %NC 0.53 1 + 115.869 -51.103 110.231 -81.845 + 91.768 79.676 130.702 -30.101 + 91.992 43.061 97.597 -80.845 + 91.232 43.848 148.029-100.406 + 90.053 42.785 119.875-111.983 + 90.971 52.788 164.665 10.394 + 90.448 45.845 131.822-165.495 + 91.621 74.473 107.604-102.897 + 90.421 -65.079 129.912-137.890 + 103.277 -66.222 180.000 180.000 + 98.732 -31.969 180.000 180.000 + 92.858 104.278 139.903-168.579 + 94.441 102.892 113.463 -77.150 + 122.532 -95.058 120.191 -77.439 + 94.783 80.750 180.000 180.000 + 130.787 -69.522 128.788 -95.159 + 118.866-107.639 110.579-115.161 + 118.613-138.913 110.377-111.233 + 117.305-118.159 126.517-135.439 + 121.811 0.000 121.486 -80.908 + # 27 total E -8.84376E+01 rmsd from N 2.913 %NC 0.53 1 + 93.710 36.864 108.353 -80.497 + 91.647 73.596 137.118 -39.701 + 91.728 44.940 126.547 120.631 + 90.680 46.766 145.456 -96.658 + 89.640 44.945 123.913-107.904 + 90.736 51.662 157.536 -7.505 + 90.588 44.136 137.243-163.189 + 91.796 74.434 105.854-101.042 + 90.589 -64.442 127.717-141.886 + 105.296 -66.775 180.000 180.000 + 98.544 -29.344 180.000 180.000 + 93.335 105.818 112.470-102.049 + 93.770 92.794 114.719 -76.947 + 123.678 -84.807 119.178 -78.265 + 94.852 87.790 180.000 180.000 + 132.034 -64.418 137.747-123.575 + 119.296-109.888 108.848-114.533 + 120.746-136.741 110.793-109.726 + 118.063-118.699 121.209-126.873 + 121.891 0.000 121.553 -81.070 + # 28 total E -8.78101E+01 rmsd from N 3.163 %NC 0.47 1 + 93.940 120.391 143.295 -9.787 + 91.597 89.256 136.488 -11.939 + 91.342 41.851 140.785 113.598 + 90.704 49.934 140.518 -89.886 + 89.681 43.718 121.257-135.145 + 89.650 56.417 134.500 -27.449 + 89.867 45.950 142.145 174.050 + 91.299 78.621 89.808 -72.509 + 90.582 -58.033 137.251-130.212 + 105.523 -66.998 180.000 180.000 + 98.719 -29.245 180.000 180.000 + 93.349 107.219 106.571 -90.072 + 93.762 103.792 115.013 -76.813 + 114.151 -78.671 117.917 -76.672 + 94.909 87.096 180.000 180.000 + 133.068 -63.198 144.239 -54.288 + 119.747-106.098 101.151-100.549 + 117.189-139.982 108.701-109.375 + 117.087-118.590 128.157-139.273 + 121.825 0.000 121.656 -80.841 + # 29 total E -8.82215E+01 rmsd from N 2.363 %NC 0.53 1 + 93.896 122.951 146.585 -7.888 + 91.504 84.535 135.537 -24.150 + 90.231 48.563 92.977 -82.629 + 90.132 41.003 154.241 -96.399 + 90.189 45.035 120.209-120.396 + 90.501 54.635 156.618 91.154 + 90.192 41.202 141.151-134.827 + 92.083 61.494 129.195-136.630 + 91.890 -71.041 140.074-123.003 + 112.542 -48.214 180.000 180.000 + 115.000 -72.083 180.000 180.000 + 92.665 68.902 145.767-177.487 + 93.300 119.888 115.285 -76.784 + 121.819 -84.580 129.147-148.531 + 95.730 69.025 180.000 180.000 + 118.735 -74.436 126.809 -52.503 + 119.775-154.030 110.678-111.529 + 122.596-108.320 125.752-127.957 + 118.509-118.361 114.635-118.035 + 121.866 0.000 121.444 -81.072 + # 30 total E -8.72518E+01 rmsd from N 3.024 %NC 0.60 1 + 93.710 37.378 108.280 -80.449 + 91.635 71.953 136.095 -41.693 + 91.787 45.706 126.655 120.492 + 90.761 45.953 146.057 -97.158 + 89.746 46.446 122.821-106.707 + 90.869 48.963 159.624 -3.921 + 90.922 49.010 136.332-152.141 + 92.449 73.774 110.672-102.943 + 91.493 -67.966 96.539 -72.598 + 108.985 -52.563 180.000 180.000 + 92.725 -35.830 180.000 180.000 + 96.102 136.678 109.183 -92.782 + 92.758 88.315 112.790 -76.936 + 135.776 -90.725 118.429 -82.286 + 94.364 88.272 180.000 180.000 + 127.527 -61.478 133.428-108.731 + 118.755-110.296 108.749-114.817 + 121.204-137.176 111.642-110.612 + 118.046-118.588 121.360-126.733 + 121.885 0.000 121.518 -81.077 + # 31 total E -8.80853E+01 rmsd from N 2.985 %NC 0.60 1 + 115.218 160.234 145.962 -21.675 + 91.565 88.462 137.353 -10.388 + 90.754 44.558 134.630 114.166 + 90.165 46.876 144.885 -92.465 + 89.466 45.784 123.684-134.393 + 89.588 50.114 146.302 -12.333 + 90.213 43.581 141.389-160.666 + 91.744 74.557 132.967-133.365 + 90.640 -56.107 133.517-133.639 + 109.306 -71.061 180.000 180.000 + 101.640 -26.719 180.000 180.000 + 92.797 99.790 139.443-167.257 + 92.754 104.104 114.623 -78.323 + 120.938 -84.640 128.910-152.010 + 95.561 77.721 180.000 180.000 + 128.340 -80.476 144.724 -39.429 + 119.642-111.469 113.395-116.336 + 119.578-134.665 110.150-110.471 + 118.338-118.701 119.140-123.433 + 121.891 0.000 121.545 -81.074 + # 32 total E -8.81161E+01 rmsd from N 2.300 %NC 0.60 1 + 93.957 124.639 143.717 -4.699 + 91.460 85.040 139.776 -23.000 + 91.436 41.557 126.522 119.920 + 90.527 47.063 150.734 -92.451 + 90.725 44.734 120.424-128.006 + 91.160 48.378 147.160 92.852 + 91.176 40.497 138.171-126.712 + 93.302 70.207 136.225-135.287 + 92.020 -72.829 142.041-133.510 + 109.612 -45.087 180.000 180.000 + 115.038 -72.131 180.000 180.000 + 93.609 66.042 131.725-157.718 + 93.260 122.802 114.885 -76.962 + 117.716 -84.596 125.949-144.198 + 95.365 69.870 180.000 180.000 + 120.346 -82.560 127.658 -49.882 + 123.899-163.915 109.844-108.241 + 119.059-113.233 117.020-119.052 + 117.307-118.580 126.146-133.121 + 121.818 0.000 121.578 -80.916 + # 33 total E -8.81204E+01 rmsd from N 2.915 %NC 0.60 1 + 119.109-118.147 110.721 -83.072 + 91.667 71.915 137.752 -38.449 + 91.719 44.780 126.498 120.871 + 90.679 46.702 145.655 -96.841 + 89.635 44.984 123.720-108.200 + 90.718 51.684 157.537 -7.710 + 90.577 44.035 137.177-162.908 + 91.800 74.462 105.806-101.041 + 90.583 -64.379 127.811-141.862 + 105.302 -66.801 180.000 180.000 + 98.533 -29.346 180.000 180.000 + 93.340 105.850 112.556-102.134 + 93.782 92.842 114.729 -76.947 + 123.705 -84.747 119.304 -78.216 + 94.875 87.705 180.000 180.000 + 131.968 -64.573 137.622-123.559 + 119.288-109.832 108.950-114.631 + 120.743-136.720 110.771-109.702 + 118.066-118.700 121.167-126.808 + 121.891 0.000 121.552 -81.070 + # 34 total E -8.71568E+01 rmsd from N 2.354 %NC 0.60 1 + 119.750-121.686 106.763 -76.806 + 91.362 77.642 134.788 -24.487 + 93.504 35.966 176.436-178.790 + 92.144 49.212 140.755 -99.749 + 90.452 40.452 114.282-123.139 + 91.223 51.648 164.300 18.174 + 90.558 45.150 134.231-174.158 + 91.805 75.522 109.885 -99.597 + 90.246 -65.678 130.594-137.945 + 102.984 -66.615 180.000 180.000 + 98.216 -31.282 180.000 180.000 + 93.034 104.679 139.194-167.149 + 94.421 102.148 114.206 -76.968 + 122.806 -95.249 119.862 -77.439 + 94.721 80.951 180.000 180.000 + 130.720 -68.585 129.330 -93.716 + 118.852-107.098 109.774-114.159 + 118.251-141.144 110.550-111.692 + 118.362-108.532 126.947-135.522 + 120.746 0.000 119.035 -80.270 + # 35 total E -8.75539E+01 rmsd from N 2.091 %NC 0.47 1 + 117.414 -92.139 147.271 -32.348 + 91.521 80.018 128.112 -22.042 + 91.480 43.968 97.448 -86.489 + 90.630 44.426 149.327 -95.267 + 90.277 43.243 117.820-122.166 + 91.106 48.303 155.396 32.910 + 90.794 44.373 131.244-153.651 + 92.037 71.487 137.196-133.219 + 90.856 -65.902 135.177-124.079 + 109.832 -67.116 180.000 180.000 + 112.368 -55.932 180.000 180.000 + 92.489 76.861 139.957-169.266 + 92.709 108.049 112.926 -76.401 + 123.936 -87.301 117.515 -84.712 + 94.757 73.881 180.000 180.000 + 126.830 -73.648 139.874 -63.235 + 119.707-111.299 108.187-110.877 + 119.310-137.625 111.941-112.872 + 117.530-118.266 124.935-131.753 + 121.832 0.000 121.478 -80.988 + # 36 total E -8.77764E+01 rmsd from N 2.634 %NC 0.47 1 + 93.708 39.089 108.754 -80.852 + 91.805 79.402 134.035 -30.081 + 92.548 37.538 133.576 119.973 + 91.843 51.784 141.505 -89.986 + 90.265 39.747 119.263-125.228 + 90.944 53.807 138.380 -35.851 + 90.283 45.399 140.754-179.688 + 91.344 75.227 95.163 -74.296 + 90.206 -63.089 135.330-136.174 + 106.884 -70.467 180.000 180.000 + 100.339 -26.437 180.000 180.000 + 92.932 101.620 135.219-160.560 + 93.430 84.061 114.717 -76.651 + 95.584 -99.029 109.249 -83.105 + 94.045 136.289 180.000 180.000 + 132.563 -75.036 149.550 173.510 + 117.000-109.880 109.317-116.622 + 120.876-138.168 110.808-109.051 + 117.528-118.503 125.293-132.864 + 121.853 0.000 121.603 -80.974 + # 37 total E -8.81055E+01 rmsd from N 2.787 %NC 0.60 1 + 93.878 112.546 145.944 -11.221 + 91.407 79.252 125.623 -26.158 + 92.501 36.292 147.233 114.664 + 92.170 55.160 138.953 -86.557 + 90.368 38.793 120.780-128.903 + 90.751 57.222 119.497 -42.627 + 89.869 46.391 152.688-174.288 + 90.907 69.805 89.906 -73.081 + 90.396 -69.404 138.062-127.712 + 112.481 -75.339 180.000 180.000 + 102.169 -21.180 180.000 180.000 + 92.937 98.785 138.563-163.445 + 92.958 71.551 115.378 -76.348 + 94.251 -95.508 108.847 -85.305 + 93.875 144.435 180.000 180.000 + 137.489 -78.556 147.439 157.663 + 115.758-103.636 112.895-122.662 + 118.557-142.099 107.025-105.448 + 116.825-118.444 131.347-145.139 + 121.718 0.000 121.610 -80.710 + # 38 total E -8.72861E+01 rmsd from N 3.207 %NC 0.60 1 + 93.966 121.267 142.031 -8.513 + 91.588 89.652 138.675 -11.364 + 91.068 43.039 144.696 108.988 + 90.644 47.718 143.566 -92.318 + 89.624 46.969 120.511-134.595 + 89.536 59.174 138.704 -29.557 + 89.742 44.568 142.995-169.047 + 91.186 75.993 91.456 -75.622 + 90.737 -57.707 135.783-134.435 + 107.149 -69.527 180.000 180.000 + 100.282 -29.735 180.000 180.000 + 93.163 106.355 112.543-101.641 + 94.099 92.957 113.140 -77.435 + 121.858 -75.559 125.373 -76.477 + 96.175 86.801 180.000 180.000 + 129.934 -73.373 150.500 -28.071 + 119.506-108.604 107.599-107.129 + 120.232-136.624 108.833-108.056 + 117.946-118.789 121.808-129.146 + 121.888 0.000 121.594 -81.042 + # 39 total E -8.79591E+01 rmsd from N 2.617 %NC 0.60 1 + 93.854 96.632 146.508 -13.378 + 91.392 68.930 137.313 -44.157 + 90.768 50.333 122.492 114.085 + 89.441 45.748 144.761 -89.343 + 89.770 44.471 118.198-121.716 + 90.215 51.642 158.327 40.923 + 90.239 42.465 139.200-165.630 + 91.872 70.675 132.301-133.611 + 90.786 -62.880 134.367-129.982 + 107.714 -67.965 180.000 180.000 + 102.012 -32.663 180.000 180.000 + 92.428 99.000 140.430-169.451 + 93.593 91.106 111.933 -78.927 + 119.253 -84.617 138.759-166.042 + 96.672 91.266 180.000 180.000 + 128.437 -81.697 146.919-130.464 + 121.565-115.151 109.482-112.973 + 119.270-136.214 112.347-113.106 + 118.089-118.684 121.313-124.840 + 121.885 0.000 121.552 -81.060 + # 40 total E -8.81755E+01 rmsd from N 3.118 %NC 0.60 1 + 93.868 101.780 146.137 -11.056 + 91.431 70.614 135.348 -41.821 + 91.791 43.755 128.805 121.062 + 90.977 49.282 142.963 -92.880 + 89.711 41.639 124.527-110.438 + 90.853 52.782 152.463 -25.609 + 90.659 41.087 134.813 177.756 + 91.743 69.933 103.510 -96.391 + 91.759 -65.386 132.992-124.988 + 115.853 -46.232 180.000 180.000 + 119.053 -58.734 180.000 180.000 + 93.556 72.056 103.911 -75.631 + 93.069 116.673 126.441 124.079 + 110.509 -65.771 127.057-134.860 + 94.130 79.672 180.000 180.000 + 125.648 -66.679 140.440-141.351 + 120.906-112.194 109.272-114.486 + 120.234-138.193 111.023-110.195 + 117.401-118.801 124.736-131.188 + 121.866 0.000 121.622 -80.983 + # 41 total E -8.80465E+01 rmsd from N 2.454 %NC 0.53 1 + 93.997 125.465 141.732 -3.342 + 91.443 90.409 137.006 -13.485 + 90.235 48.388 128.737 112.157 + 89.358 43.615 149.428 -93.028 + 89.684 48.635 123.705-133.183 + 89.847 49.161 155.842 32.682 + 90.398 42.934 137.286-138.103 + 92.396 73.106 131.691-135.646 + 91.202 -65.914 137.931-117.775 + 108.205 -56.274 180.000 180.000 + 115.729 -52.164 180.000 180.000 + 93.216 83.030 138.831-166.076 + 92.637 111.217 112.624 -76.756 + 93.733 -72.254 134.848-159.598 + 96.982 83.544 180.000 180.000 + 132.103 -89.129 139.059 -37.153 + 120.729-110.469 119.016-122.835 + 119.585-117.414 111.673-111.940 + 118.177-118.648 118.385-122.576 + 121.892 0.000 121.523 -81.088 + # 42 total E -8.71937E+01 rmsd from N 2.074 %NC 0.53 1 + 93.847 107.695 147.315 -12.774 + 91.437 80.751 139.290 -32.126 + 90.633 49.348 127.194 95.119 + 89.237 46.745 143.614 -89.599 + 89.557 45.105 119.577-125.804 + 90.150 54.104 118.890 26.260 + 89.882 40.070 149.606-162.857 + 91.850 67.486 129.312-134.793 + 91.841 -56.363 137.092-124.192 + 117.457 -86.869 180.000 180.000 + 117.714 -60.861 180.000 180.000 + 92.512 69.002 137.408-167.479 + 94.535 87.728 112.476 -75.665 + 123.228 -79.112 151.953 -38.953 + 96.286 83.886 180.000 180.000 + 133.362 -68.905 157.478 -43.916 + 122.001-139.101 103.969-103.420 + 119.403-112.260 113.639-114.710 + 117.007-118.525 129.850-139.313 + 121.770 0.000 121.600 -80.808 + # 43 total E -8.80708E+01 rmsd from N 2.775 %NC 0.67 1 + 93.844 91.902 146.549 -15.916 + 91.513 67.943 134.705 -55.557 + 91.630 60.256 124.987 117.914 + 89.749 50.059 144.421 -96.942 + 89.655 43.631 119.166-115.136 + 91.244 51.277 161.886 0.542 + 90.758 39.880 130.366-171.421 + 92.227 73.530 103.705 -96.586 + 90.996 -61.665 130.686-136.153 + 107.731 -68.853 180.000 180.000 + 101.295 -27.924 180.000 180.000 + 93.240 99.387 133.358-158.269 + 93.864 108.579 114.049 -78.974 + 131.172 -96.477 134.169-155.763 + 95.299 81.275 180.000 180.000 + 125.555 -66.628 132.860 -80.871 + 119.527-111.918 110.325-116.186 + 120.027-135.990 111.563-111.063 + 118.224-118.672 120.374-124.457 + 121.888 0.000 121.542 -81.071 + # 44 total E -8.73737E+01 rmsd from N 2.901 %NC 0.60 1 + 115.447 160.875 145.604 -20.405 + 91.561 88.252 137.465 -10.669 + 91.275 42.549 140.474 112.626 + 90.592 48.676 143.567 -92.761 + 89.690 45.042 120.936-134.116 + 89.717 56.845 138.466 -26.042 + 89.761 46.235 143.871-168.538 + 90.974 75.841 91.444 -74.135 + 90.477 -58.392 135.322-133.143 + 107.638 -73.112 180.000 180.000 + 101.857 -27.478 180.000 180.000 + 92.976 103.008 137.691-164.472 + 93.874 91.836 112.965 -77.090 + 125.924 -78.308 127.830 -78.985 + 96.724 82.687 180.000 180.000 + 129.388 -84.914 148.793 -26.832 + 120.205-112.502 112.255-113.831 + 119.873-135.240 109.312-109.143 + 118.231-118.738 120.041-124.527 + 121.878 0.000 121.547 -81.055 + # 45 total E -8.76327E+01 rmsd from N 2.149 %NC 0.60 1 + 93.875 123.025 147.773 -8.782 + 91.408 86.591 127.278 -23.244 + 90.974 48.904 95.532 -86.288 + 90.413 41.076 149.151-101.999 + 90.581 45.746 117.895 -32.685 + 91.313 45.235 136.328 85.584 + 91.142 47.620 130.457-142.815 + 92.979 73.043 138.626-138.539 + 91.553 -72.383 142.188 -18.441 + 104.705 -53.034 180.000 180.000 + 110.753 -66.828 180.000 180.000 + 93.023 76.820 137.431-165.796 + 93.132 109.982 114.016 -76.980 + 120.672 -94.331 121.620-129.682 + 94.832 73.467 180.000 180.000 + 126.173 -62.935 138.512 -67.543 + 120.327-153.651 106.494-108.345 + 124.978-109.949 115.992-114.680 + 118.022-118.520 120.258-125.471 + 121.884 0.000 121.484 -81.095 + # 46 total E -8.86348E+01 rmsd from N 2.622 %NC 0.40 1 + 93.710 38.364 108.470 -80.566 + 91.647 75.565 139.854 -36.611 + 91.344 45.386 122.379 119.942 + 90.225 45.752 143.276 -92.533 + 89.731 44.740 119.126-121.226 + 90.432 47.511 157.586 15.185 + 90.748 46.527 135.135-174.693 + 92.015 75.836 136.390-128.641 + 90.322 -64.432 130.075-138.196 + 103.897 -68.080 180.000 180.000 + 99.054 -29.470 180.000 180.000 + 93.101 104.036 137.198-164.056 + 93.990 96.244 114.350 -76.828 + 124.014 -91.518 118.763 -77.663 + 94.698 84.346 180.000 180.000 + 131.884 -64.035 136.927-106.716 + 120.723-135.163 105.373-108.682 + 118.856-113.619 109.064-109.037 + 116.928-118.506 130.699-141.457 + 121.745 0.000 121.616 -80.751 + # 47 total E -8.81315E+01 rmsd from N 3.123 %NC 0.60 1 + 93.874 105.912 146.107 -10.063 + 91.464 72.578 133.706 -38.693 + 92.393 40.053 130.810 120.888 + 91.716 50.069 142.465 -90.867 + 90.003 40.272 122.637-114.887 + 91.163 53.687 146.632 -33.943 + 90.716 41.167 138.228 177.915 + 91.704 69.088 103.050 -93.801 + 92.040 -66.674 133.219-127.268 + 118.462 -40.294 180.000 180.000 + 121.033 -62.571 180.000 180.000 + 93.797 66.016 104.540 -73.480 + 93.050 123.165 131.712 131.975 + 96.175 -65.459 120.598-136.370 + 94.562 86.762 180.000 180.000 + 128.138 -65.519 137.205-150.125 + 120.645-113.668 108.185-113.504 + 120.483-138.267 111.555-110.848 + 117.391-118.779 124.868-131.189 + 121.863 0.000 121.616 -80.982 + # 48 total E -8.84696E+01 rmsd from N 2.901 %NC 0.60 1 + 119.109-113.130 109.916 -82.698 + 91.587 69.297 137.854 -43.601 + 91.980 43.780 123.823 123.238 + 90.900 48.091 144.259 -95.727 + 89.788 42.455 122.821-111.847 + 90.934 51.257 156.979 -15.614 + 90.643 42.681 136.221-173.920 + 91.690 72.423 105.514 -97.566 + 90.704 -62.367 129.423-138.507 + 108.767 -69.364 180.000 180.000 + 101.252 -26.466 180.000 180.000 + 92.949 99.309 136.414-162.198 + 92.707 99.443 114.338 -78.011 + 124.968 -88.215 126.506-140.003 + 94.845 84.064 180.000 180.000 + 129.030 -75.388 132.553-133.491 + 120.630-114.638 110.554-116.433 + 119.709-136.165 109.566-109.072 + 118.012-118.750 121.611-126.132 + 121.890 0.000 121.574 -81.057 + # 49 total E -8.86290E+01 rmsd from N 2.614 %NC 0.47 1 + 115.370 169.411 151.606 -14.707 + 91.630 77.908 139.272 -38.477 + 91.461 45.249 122.054 119.742 + 90.246 45.909 143.988 -91.897 + 89.725 44.564 119.071-121.419 + 90.432 47.616 157.501 15.689 + 90.760 46.647 135.169-174.368 + 92.014 75.960 136.701-128.493 + 90.310 -64.414 130.096-138.317 + 103.780 -68.004 180.000 180.000 + 99.010 -29.590 180.000 180.000 + 93.094 104.038 137.212-164.123 + 93.986 96.384 114.322 -76.838 + 123.940 -91.656 118.632 -77.733 + 94.664 84.220 180.000 180.000 + 131.908 -63.754 136.801-106.173 + 120.740-135.629 105.260-108.500 + 118.876-113.494 109.100-109.090 + 116.933-118.509 130.641-141.339 + 121.746 0.000 121.616 -80.754 + # 50 total E -8.78679E+01 rmsd from N 3.069 %NC 0.53 1 + 93.854 100.404 146.869 -12.016 + 91.435 72.065 136.751 -38.934 + 91.259 45.014 128.088 120.440 + 90.428 47.867 141.904 -90.498 + 89.509 43.789 119.765-123.023 + 90.270 48.112 155.065 -14.035 + 91.065 43.817 133.315 178.572 + 92.583 64.998 136.554-131.930 + 92.057 -61.871 121.007 -86.660 + 117.628 -53.372 180.000 180.000 + 116.847 -55.643 180.000 180.000 + 93.116 75.543 101.057 -62.208 + 92.965 112.568 114.077 -76.676 + 115.794 -70.109 126.283-134.426 + 94.017 79.583 180.000 180.000 + 125.328 -64.478 139.791-137.546 + 120.884-112.395 108.177-113.030 + 120.468-138.021 110.566-109.483 + 117.481-118.778 124.396-131.038 + 121.863 0.000 121.600 -80.991 + # 51 total E -8.80962E+01 rmsd from N 2.691 %NC 0.60 1 + 93.985 124.928 142.254 -4.373 + 91.473 90.626 137.900 -14.393 + 90.304 47.807 128.542 111.886 + 89.263 44.392 147.292 -91.609 + 89.406 47.718 123.833-134.089 + 89.291 51.463 160.391 33.745 + 90.099 41.873 139.372-155.104 + 92.164 73.959 129.571-134.105 + 90.914 -58.798 135.216-132.856 + 105.835 -67.727 180.000 180.000 + 100.450 -32.815 180.000 180.000 + 92.615 102.384 139.598-169.096 + 92.728 99.110 113.426 -79.107 + 110.395 -80.640 131.436-171.156 + 97.015 85.624 180.000 180.000 + 129.616 -88.009 141.233 -34.663 + 120.884-109.489 117.864-121.298 + 119.617-133.317 111.515-111.715 + 118.753-118.565 116.181-118.778 + 121.874 0.000 121.497 -81.068 + # 52 total E -8.74906E+01 rmsd from N 1.811 %NC 0.60 1 + 93.926 123.918 145.185 -6.537 + 91.514 87.452 137.456 -23.334 + 91.169 45.164 124.543 110.928 + 89.985 45.208 146.108 -91.173 + 89.986 45.660 120.976-126.512 + 90.260 47.558 161.286 35.109 + 90.686 45.237 141.617-149.848 + 92.055 72.014 136.361-133.736 + 90.645 -68.751 135.954-118.346 + 106.997 -60.493 180.000 180.000 + 112.083 -53.127 180.000 180.000 + 92.538 81.030 132.811-159.417 + 93.691 129.460 112.655 -76.620 + 114.813 -79.644 118.897 -80.790 + 94.539 65.617 180.000 180.000 + 126.571 -87.173 112.602 -93.599 + 119.175-107.506 120.745-128.076 + 118.132-136.348 109.254-109.917 + 117.961-118.758 121.889-127.359 + 121.881 0.000 121.588 -81.032 + # 53 total E -8.73823E+01 rmsd from N 3.294 %NC 0.53 1 + 93.974 122.858 142.146 -7.017 + 91.539 88.231 138.319 -14.355 + 91.057 43.796 140.373 110.121 + 90.625 45.398 147.514 -93.681 + 89.835 49.674 121.894-129.357 + 90.441 46.359 143.656 -20.146 + 90.778 45.281 136.272-128.080 + 92.723 76.837 133.986-128.339 + 91.408 -62.325 102.905 -75.177 + 111.488 -56.973 180.000 180.000 + 94.067 -26.897 180.000 180.000 + 99.091 141.319 129.949-147.883 + 93.657 84.280 113.832 -78.354 + 133.610 -92.283 126.679 -78.999 + 95.723 91.785 180.000 180.000 + 129.430 -73.723 147.847 -38.511 + 118.927-109.311 111.338-113.590 + 120.247-135.500 108.986-108.441 + 118.170-118.753 120.198-126.836 + 121.898 0.000 121.565 -81.076 + # 54 total E -8.74609E+01 rmsd from N 2.170 %NC 0.60 1 + 93.868 101.240 146.078 -11.319 + 91.371 71.675 138.816 -42.839 + 91.570 44.894 135.065 113.654 + 90.468 49.436 142.524 -92.178 + 89.874 41.943 121.578-121.210 + 90.740 54.452 154.201-101.872 + 90.317 40.665 140.520-176.251 + 91.992 71.162 107.178-100.124 + 90.919 -66.061 132.651-130.761 + 105.972 -64.241 180.000 180.000 + 99.760 -29.489 180.000 180.000 + 92.774 103.829 135.889-162.953 + 93.550 117.294 114.036 -76.833 + 116.607 -87.108 116.977 -80.027 + 95.248 72.384 180.000 180.000 + 131.336 -86.965 119.522-105.068 + 119.573-105.983 117.814-123.793 + 115.133-140.299 108.867-110.809 + 116.979-118.554 129.078-140.310 + 121.756 0.000 121.636 -80.767 + # 55 total E -8.71781E+01 rmsd from N 2.460 %NC 0.47 1 + 93.703 41.833 109.243 -81.362 + 91.960 95.179 138.257 -16.975 + 90.638 48.243 127.432 114.639 + 89.553 43.274 150.035 -93.087 + 89.786 48.498 124.363-133.577 + 89.924 49.251 156.640 33.553 + 90.400 42.738 136.872-138.565 + 92.395 72.657 131.678-135.641 + 91.213 -66.337 137.830-117.364 + 108.321 -56.046 180.000 180.000 + 115.947 -52.597 180.000 180.000 + 93.220 82.680 139.022-166.342 + 92.635 111.416 112.666 -76.742 + 93.770 -72.189 134.870-159.101 + 96.977 83.359 180.000 180.000 + 131.998 -89.230 138.762 -36.899 + 120.688-110.503 119.307-123.209 + 119.632-117.002 111.714-111.976 + 118.221-118.630 117.922-121.893 + 121.880 0.000 121.519 -81.079 + # 56 total E -8.77498E+01 rmsd from N 2.436 %NC 0.53 1 + 93.859 101.382 146.621 -11.555 + 91.413 71.975 138.251 -37.985 + 90.826 49.043 123.617 113.975 + 89.605 44.691 147.186 -91.881 + 89.993 46.022 117.602-121.727 + 90.839 48.802 152.942 32.177 + 90.548 41.888 138.528-141.667 + 92.149 68.121 133.453-134.799 + 91.499 -73.154 135.740-114.798 + 113.784 -47.648 180.000 180.000 + 125.557 -63.683 180.000 180.000 + 93.679 62.826 139.039-166.218 + 92.889 108.458 115.197 -76.557 + 94.902 -72.431 125.275-157.262 + 97.241 87.967 180.000 180.000 + 130.833 -82.815 157.508-139.308 + 121.743-115.323 108.515-111.352 + 119.597-134.878 114.162-115.486 + 118.762-118.520 117.091-118.323 + 121.832 0.000 121.470 -81.026 + # 57 total E -8.81756E+01 rmsd from N 2.118 %NC 0.47 1 + 93.709 59.121 110.156 -80.819 + 91.654 89.162 131.657 -19.925 + 90.937 46.729 99.744 -89.130 + 89.800 43.871 148.420 -97.365 + 90.928 44.044 122.477-125.890 + 91.493 44.369 139.993 80.123 + 91.541 44.804 129.639-144.719 + 93.075 74.072 140.553-133.160 + 90.935 -68.433 141.775-139.217 + 105.944 -59.195 180.000 180.000 + 108.298 -62.187 180.000 180.000 + 92.674 77.429 136.784-164.856 + 93.422 101.284 113.084 -76.539 + 122.248 -84.360 123.991 -83.779 + 96.491 79.399 180.000 180.000 + 121.992 -78.711 145.696 -36.442 + 120.424-113.171 109.879-111.381 + 120.064-136.561 110.731-110.796 + 117.985-118.388 122.186-127.392 + 121.863 0.000 121.468 -81.064 + # 58 total E -8.74470E+01 rmsd from N 3.396 %NC 0.60 1 + 93.943 119.901 142.918 -9.900 + 91.615 88.569 138.644 -13.861 + 91.279 42.625 145.669 108.717 + 90.853 47.653 142.045 -89.881 + 89.664 44.836 121.955-130.020 + 89.834 53.579 137.192 -30.877 + 90.345 42.147 144.368-172.732 + 91.759 71.477 109.971-102.047 + 92.138 -62.195 135.901-124.375 + 118.486 -39.823 180.000 180.000 + 120.513 -61.117 180.000 180.000 + 93.385 72.119 106.363 -81.187 + 92.940 122.833 130.541 137.053 + 95.120 -61.323 124.567-147.857 + 95.617 85.335 180.000 180.000 + 127.656 -73.878 152.644 -21.228 + 120.336-108.588 108.974-109.291 + 119.556-138.113 111.006-111.401 + 117.455-118.773 124.792-132.699 + 121.848 0.000 121.632 -80.954 + # 59 total E -8.73173E+01 rmsd from N 2.422 %NC 0.60 1 + 93.847 89.533 146.198 -16.641 + 91.506 68.467 130.893 -61.929 + 91.344 65.359 130.785 106.042 + 89.362 47.333 145.166 -89.085 + 89.770 44.714 114.744-120.583 + 90.423 53.858 158.775 45.078 + 90.193 42.280 138.173-165.402 + 91.981 69.653 130.587-134.300 + 91.064 -63.316 136.075-127.739 + 107.774 -67.925 180.000 180.000 + 101.328 -32.434 180.000 180.000 + 92.402 100.553 141.219-170.544 + 94.141 91.160 112.492 -78.986 + 114.242 -90.553 138.212-177.772 + 97.070 96.636 180.000 180.000 + 128.251 -76.271 141.976 -63.835 + 121.449-118.976 106.300-108.476 + 119.468-135.485 112.789-113.778 + 118.302-118.636 120.047-123.009 + 121.892 0.000 121.526 -81.084 + # 60 total E -8.71842E+01 rmsd from N 2.378 %NC 0.47 1 + 93.711 54.188 109.460 -80.509 + 91.657 86.246 135.700 -24.954 + 90.537 48.534 92.569 -84.736 + 90.150 41.272 155.686 -96.204 + 90.107 44.968 120.952-119.813 + 90.490 54.714 156.503 91.118 + 90.210 41.164 141.087-134.084 + 92.096 61.574 129.473-136.993 + 91.902 -71.076 140.052-123.512 + 112.551 -48.014 180.000 180.000 + 114.994 -72.286 180.000 180.000 + 92.701 68.631 145.557-177.211 + 93.319 120.004 115.291 -76.783 + 121.759 -84.478 129.060-148.326 + 95.692 68.867 180.000 180.000 + 118.912 -74.871 126.917 -52.274 + 120.000-155.823 110.653-111.351 + 122.770-108.584 124.433-126.169 + 118.504-118.373 114.757-118.139 + 121.856 0.000 121.439 -81.065 + # 61 total E -8.73561E+01 rmsd from N 2.557 %NC 0.40 1 + 93.706 25.815 107.541 -80.954 + 91.527 71.460 142.056 -52.588 + 91.617 41.070 79.284 -91.963 + 91.726 52.226 147.975 -95.466 + 90.012 41.070 123.247-121.782 + 90.931 59.748 131.670 -91.422 + 89.875 39.630 130.519-171.503 + 92.165 68.462 103.849-101.231 + 91.203 -64.535 138.775-138.922 + 108.518 -66.113 180.000 180.000 + 100.042 -28.716 180.000 180.000 + 92.884 104.778 143.420-172.984 + 92.635 101.319 114.329 -76.692 + 121.729 -87.879 118.013 -84.347 + 95.678 81.984 180.000 180.000 + 132.671 -79.360 125.032-117.236 + 119.382-106.332 119.728-127.843 + 119.147-136.876 106.744-106.339 + 117.974-118.765 121.811-125.910 + 121.900 0.000 121.570 -81.079 + # 62 total E -8.73250E+01 rmsd from N 2.311 %NC 0.53 1 + 93.707 38.715 108.409 -80.804 + 91.840 87.116 141.039 -24.659 + 91.687 41.404 125.152 121.784 + 90.687 46.797 151.060 -93.168 + 90.786 44.500 120.705-127.224 + 91.241 48.417 146.686 93.426 + 91.191 40.519 138.121-126.451 + 93.297 69.920 136.310-135.341 + 92.029 -73.058 142.033-133.927 + 109.659 -44.853 180.000 180.000 + 114.918 -72.397 180.000 180.000 + 93.612 65.841 131.930-158.065 + 93.268 122.831 114.924 -76.949 + 117.964 -84.304 125.910-144.234 + 95.349 69.790 180.000 180.000 + 120.220 -82.589 127.670 -49.544 + 123.943-164.108 109.696-107.946 + 119.112-113.166 117.196-119.297 + 117.343-118.591 125.767-132.440 + 121.825 0.000 121.576 -80.930 + # 63 total E -8.76239E+01 rmsd from N 2.629 %NC 0.60 1 + 94.002 125.352 141.405 -3.350 + 91.432 90.429 136.523 -12.383 + 90.212 48.775 130.970 110.188 + 89.481 43.187 150.267 -94.219 + 89.718 49.003 123.679-133.024 + 90.089 49.355 154.365 26.268 + 90.464 41.575 136.808-133.035 + 92.504 72.526 130.585-135.431 + 91.713 -68.324 136.819-118.250 + 111.479 -47.532 180.000 180.000 + 121.616 -64.912 180.000 180.000 + 94.168 69.522 135.591-157.918 + 91.999 114.482 123.297 140.275 + 92.815 -61.811 124.184-155.305 + 96.792 77.524 180.000 180.000 + 129.947 -90.155 141.810 -32.000 + 120.535-108.461 115.050-116.541 + 119.788-131.705 118.014-120.472 + 119.063-118.371 113.620-114.861 + 121.838 0.000 121.447 -81.025 + # 64 total E -8.71328E+01 rmsd from N 2.678 %NC 0.60 1 + 114.887 159.786 146.709 -23.616 + 91.616 88.015 139.016 -12.949 + 90.360 47.351 127.833 113.497 + 89.326 44.203 147.338 -92.441 + 89.465 47.639 123.491-132.418 + 89.332 51.647 161.077 33.640 + 90.087 41.658 139.062-155.294 + 92.174 73.764 129.213-133.986 + 90.937 -58.861 135.192-132.669 + 105.886 -67.724 180.000 180.000 + 100.457 -32.841 180.000 180.000 + 92.621 102.468 139.700-169.241 + 92.727 99.524 113.427 -79.116 + 110.348 -80.526 131.448-171.714 + 97.041 85.126 180.000 180.000 + 129.640 -88.143 140.497 -34.559 + 120.792-109.291 118.527-122.172 + 119.659-132.838 111.440-111.585 + 118.790-118.566 115.779-118.273 + 121.872 0.000 121.493 -81.066 + # 65 total E -8.79378E+01 rmsd from N 3.182 %NC 0.40 1 + 93.929 120.590 143.863 -9.867 + 91.583 89.938 135.739 -13.165 + 90.950 44.051 136.498 111.958 + 90.349 47.394 140.317 -88.434 + 89.533 44.461 122.938-134.195 + 89.615 50.806 138.931 -13.188 + 90.066 46.140 139.539 166.732 + 91.704 79.180 134.410-132.445 + 90.509 -57.602 135.672-130.486 + 105.607 -67.083 180.000 180.000 + 98.414 -30.055 180.000 180.000 + 93.371 107.255 105.578 -81.495 + 94.171 107.462 114.804 -76.896 + 114.347 -78.617 120.094 -75.751 + 95.061 87.779 180.000 180.000 + 133.968 -63.381 142.253 -65.328 + 115.690-106.287 85.512 -92.744 + 117.294-139.128 109.098-109.452 + 117.135-118.705 127.354-137.237 + 121.807 0.000 121.617 -80.868 + # 66 total E -8.81325E+01 rmsd from N 3.032 %NC 0.67 1 + 93.868 102.415 146.220 -10.935 + 91.435 70.406 135.684 -40.714 + 91.616 46.003 127.353 120.080 + 90.652 45.849 145.722 -95.989 + 89.702 46.698 120.917-112.195 + 90.841 48.747 159.445 -3.416 + 90.912 49.042 136.301-152.292 + 92.467 73.824 111.570-103.146 + 91.505 -67.940 96.513 -72.660 + 109.007 -52.509 180.000 180.000 + 92.743 -35.755 180.000 180.000 + 96.137 136.625 109.159 -92.759 + 92.775 88.305 112.785 -76.947 + 135.687 -90.706 118.436 -82.077 + 94.348 88.331 180.000 180.000 + 127.540 -61.395 133.808-108.423 + 118.786-110.271 108.755-114.867 + 121.167-137.219 111.587-110.536 + 118.020-118.593 121.534-127.038 + 121.884 0.000 121.522 -81.074 + # 67 total E -8.83058E+01 rmsd from N 2.624 %NC 0.47 1 + 119.107-122.495 111.371 -83.127 + 91.665 74.236 140.358 -35.961 + 91.351 45.185 122.278 120.281 + 90.219 45.731 143.566 -92.530 + 89.719 44.759 118.878-121.455 + 90.413 47.540 157.698 14.698 + 90.741 46.388 135.108-174.227 + 92.019 75.811 136.352-128.726 + 90.321 -64.354 130.065-138.248 + 103.929 -68.082 180.000 180.000 + 99.059 -29.450 180.000 180.000 + 93.103 104.031 137.168-164.021 + 94.003 96.287 114.356 -76.828 + 124.059 -91.370 118.899 -77.579 + 94.729 84.368 180.000 180.000 + 131.792 -64.474 136.909-107.071 + 120.702-134.644 105.551-108.917 + 118.860-113.635 109.062-109.035 + 116.933-118.512 130.622-141.304 + 121.762 0.000 121.616 -80.767 + # 68 total E -8.87124E+01 rmsd from N 2.647 %NC 0.53 1 + 93.872 113.542 146.381 -11.144 + 91.543 78.928 132.668 -29.617 + 92.400 37.765 135.153 118.797 + 91.729 51.774 141.168 -89.206 + 90.215 40.052 119.308-125.829 + 90.859 53.750 137.389 -35.753 + 90.242 45.446 141.191-179.933 + 91.334 75.328 94.720 -73.699 + 90.197 -62.958 135.741-135.630 + 106.929 -70.640 180.000 180.000 + 100.354 -26.303 180.000 180.000 + 92.943 101.680 135.141-160.432 + 93.420 83.652 114.785 -76.631 + 95.425 -98.797 109.076 -83.137 + 94.013 137.212 180.000 180.000 + 132.913 -75.133 149.298 171.264 + 116.948-109.770 109.485-117.013 + 120.888-138.293 110.777-108.939 + 117.488-118.729 125.582-133.320 + 121.854 0.000 121.607 -80.968 + # 69 total E -8.87198E+01 rmsd from N 2.345 %NC 0.53 1 + 93.869 115.826 146.658 -11.557 + 91.635 80.621 134.080 -25.405 + 93.135 37.502 176.439 179.671 + 91.942 48.628 140.076 -95.689 + 90.489 40.857 114.028-125.185 + 91.166 49.773 163.113 30.795 + 90.738 45.653 134.727-173.166 + 92.116 75.873 136.758-128.647 + 90.220 -65.285 131.667-136.854 + 102.584 -66.375 180.000 180.000 + 98.085 -32.023 180.000 180.000 + 92.990 104.631 139.310-167.546 + 94.430 102.076 113.870 -77.063 + 123.304 -95.802 118.999 -77.516 + 94.627 80.553 180.000 180.000 + 130.181 -68.450 129.391 -91.458 + 118.999-108.006 108.665-112.592 + 118.489-141.325 110.896-112.085 + 118.329-108.290 127.278-135.615 + 120.710 0.000 118.930 -80.254 + # 70 total E -8.74969E+01 rmsd from N 2.213 %NC 0.60 1 + 93.860 106.912 146.810 -11.028 + 91.495 76.379 137.957 -32.183 + 91.866 43.940 125.331 115.250 + 90.732 44.010 143.005 -94.082 + 89.901 45.207 118.344-116.649 + 90.522 51.224 169.661 9.865 + 90.608 44.958 142.362-172.979 + 91.810 73.504 108.992-102.920 + 90.778 -66.171 128.769-138.146 + 103.609 -64.429 180.000 180.000 + 99.627 -32.408 180.000 180.000 + 92.677 102.865 133.714-160.322 + 94.289 110.029 112.240 -77.373 + 123.638 -91.427 121.681 -77.428 + 95.327 84.896 180.000 180.000 + 131.597 -81.811 130.516-106.111 + 117.204-113.651 81.057 -92.135 + 114.598-146.848 111.748-114.910 + 115.882-118.030 136.193-151.875 + 121.598 0.000 121.574 -80.487 + # 71 total E -8.79632E+01 rmsd from N 2.248 %NC 0.47 1 + 93.709 58.197 110.026 -80.673 + 91.700 87.198 133.144 -23.103 + 91.317 44.867 101.231 -88.575 + 90.179 43.951 147.577 -93.535 + 90.977 42.613 118.492-126.017 + 91.073 47.110 145.840 86.254 + 91.175 45.788 133.450-155.398 + 92.821 75.220 139.716-132.058 + 90.471 -65.536 139.846-143.385 + 101.143 -62.284 180.000 180.000 + 97.780 -39.462 180.000 180.000 + 92.621 102.125 136.913-165.132 + 94.022 101.206 111.628 -78.823 + 120.724 -96.714 131.575-148.889 + 95.111 83.457 180.000 180.000 + 125.443 -71.370 138.099 -79.955 + 119.737-111.449 109.626-113.324 + 119.658-137.459 109.590-109.493 + 117.791-118.263 123.215-130.225 + 121.833 0.000 121.455 -81.012 + # 72 total E -8.77773E+01 rmsd from N 2.634 %NC 0.53 1 + 115.567 167.203 149.532 -15.044 + 91.693 79.696 133.898 -30.525 + 92.566 37.237 133.260 119.793 + 91.858 51.940 141.962 -89.641 + 90.254 39.680 118.997-125.691 + 90.921 53.898 138.419 -35.852 + 90.282 45.395 140.751-179.322 + 91.341 75.251 95.179 -74.412 + 90.202 -63.049 135.297-136.250 + 106.863 -70.460 180.000 180.000 + 100.337 -26.458 180.000 180.000 + 92.931 101.604 135.221-160.570 + 93.434 84.174 114.703 -76.656 + 95.627 -99.054 109.335 -83.063 + 94.059 135.954 180.000 180.000 + 132.444 -74.990 149.583 174.215 + 117.031-109.965 109.246-116.490 + 120.878-138.142 110.812-109.069 + 117.539-118.729 125.229-132.746 + 121.859 0.000 121.604 -80.980 + # 73 total E -8.71319E+01 rmsd from N 2.480 %NC 0.60 1 + 114.900 160.014 146.867 -23.344 + 91.619 87.551 138.396 -13.549 + 90.418 47.496 127.929 113.894 + 89.404 43.708 147.817 -92.322 + 89.520 47.983 122.729-131.056 + 89.439 51.851 158.575 34.104 + 90.155 41.936 139.397-152.119 + 92.198 73.630 129.006-134.341 + 91.098 -59.837 135.646-131.567 + 106.016 -65.990 180.000 180.000 + 102.401 -35.211 180.000 180.000 + 92.658 99.222 138.657-167.570 + 93.297 106.125 111.228 -78.880 + 95.611 -84.314 127.642-179.536 + 96.702 91.322 180.000 180.000 + 130.189 -86.296 136.182 -41.542 + 120.616-110.900 118.636-122.641 + 119.467-117.426 111.040-111.170 + 118.122-118.675 118.904-123.467 + 121.893 0.000 121.533 -81.086 + # 74 total E -8.92140E+01 rmsd from N 2.111 %NC 0.53 1 + 93.901 123.763 146.498 -7.477 + 91.445 88.956 131.076 -20.042 + 90.678 47.333 98.550 -88.314 + 89.754 43.363 146.559 -98.649 + 90.892 44.309 122.038-125.994 + 91.536 44.056 139.588 79.905 + 91.547 45.130 129.619-145.458 + 93.061 73.882 140.023-132.980 + 90.956 -68.553 141.691-139.026 + 105.981 -59.269 180.000 180.000 + 108.410 -62.083 180.000 180.000 + 92.675 77.382 136.759-164.775 + 93.412 101.104 113.076 -76.538 + 122.232 -84.347 123.951 -83.775 + 96.496 79.553 180.000 180.000 + 122.067 -78.659 145.722 -36.263 + 120.438-113.109 109.675-111.068 + 119.987-136.571 110.712-110.827 + 117.963-118.392 122.339-127.669 + 121.863 0.000 121.473 -81.060 + # 75 total E -8.84140E+01 rmsd from N 2.063 %NC 0.67 1 + 93.911 124.636 146.269 -6.080 + 91.471 88.553 133.556 -21.832 + 90.631 46.741 99.017 -86.639 + 89.677 42.973 147.922 -99.949 + 90.861 44.675 120.670-127.273 + 91.529 43.783 139.861 85.731 + 91.622 45.122 130.567-137.868 + 93.244 74.440 140.098-133.544 + 91.181 -70.438 142.754-139.763 + 105.906 -52.960 180.000 180.000 + 111.863 -64.360 180.000 180.000 + 93.111 75.496 136.801-164.628 + 92.870 113.527 114.161 -76.902 + 121.137 -89.742 124.615-134.806 + 95.450 74.779 180.000 180.000 + 119.210 -75.438 135.882 -47.920 + 119.343-117.894 106.819-107.222 + 118.424-115.979 141.799-156.921 + 117.680-118.308 123.651-128.438 + 121.871 0.000 121.437 -81.090 + # 76 total E -8.74864E+01 rmsd from N 2.627 %NC 0.47 1 + 93.710 38.067 108.413 -80.515 + 91.630 74.801 139.100 -38.483 + 91.478 44.344 123.736 120.702 + 90.279 47.546 143.430 -93.048 + 89.808 44.548 119.938-122.948 + 90.869 45.704 151.444 -1.642 + 91.354 43.453 135.253-165.405 + 92.943 65.184 138.182-132.667 + 91.848 -62.127 120.345 -85.336 + 116.839 -73.588 180.000 180.000 + 118.194 -46.853 180.000 180.000 + 92.680 73.403 135.848-162.698 + 92.303 99.062 112.486 -76.285 + 127.498 -76.507 119.362 -86.398 + 95.461 76.532 180.000 180.000 + 127.464 -78.442 152.564-133.534 + 120.761-115.247 110.090-115.392 + 119.930-136.143 111.503-111.137 + 118.097-118.703 121.163-124.758 + 121.891 0.000 121.556 -81.066 + # 77 total E -8.76335E+01 rmsd from N 1.742 %NC 0.60 1 + 93.905 122.997 146.043 -8.074 + 91.550 87.786 135.061 -24.513 + 91.633 44.837 124.964 105.531 + 90.170 44.735 142.159 -88.224 + 89.891 46.097 118.813-125.658 + 90.115 47.921 157.285 40.582 + 90.651 48.961 143.227 178.088 + 92.038 74.534 136.730-132.386 + 90.499 -68.222 136.840-121.610 + 102.773 -64.626 180.000 180.000 + 99.434 -31.473 180.000 180.000 + 92.674 102.100 133.801-159.693 + 94.826 126.906 112.842 -77.174 + 95.656 -88.138 114.000 -74.957 + 94.538 67.843 180.000 180.000 + 132.908 -78.002 106.422 -63.589 + 117.741-103.649 123.950-132.336 + 118.619-135.001 109.881-110.084 + 118.372-118.641 118.377-123.160 + 121.858 0.000 121.539 -81.025 + # 78 total E -8.96468E+01 rmsd from N 2.908 %NC 0.60 1 + 93.869 101.492 146.077 -11.094 + 91.400 69.721 136.864 -43.906 + 91.801 44.199 124.447 122.771 + 90.807 48.080 143.670 -94.401 + 89.761 42.592 121.958-114.553 + 90.933 51.112 156.945 -15.203 + 90.642 42.671 136.166-174.751 + 91.695 72.416 105.974 -97.539 + 90.697 -62.459 129.488-138.300 + 108.829 -69.415 180.000 180.000 + 101.252 -26.414 180.000 180.000 + 92.954 99.260 136.397-162.126 + 92.702 99.205 114.349 -78.009 + 125.076 -88.204 126.407-139.781 + 94.833 84.182 180.000 180.000 + 129.022 -75.264 132.936-133.584 + 120.671-114.703 110.507-116.407 + 119.716-136.280 109.492-108.943 + 117.961-118.758 121.946-126.663 + 121.889 0.000 121.578 -81.052 + # 79 total E -8.77052E+01 rmsd from N 2.259 %NC 0.60 1 + 112.848 157.741 150.750 -35.359 + 91.965 84.641 135.022 -21.729 + 91.327 43.481 105.449 -85.732 + 90.356 44.252 148.778 -93.766 + 90.993 42.370 118.453-125.559 + 91.062 47.427 146.911 86.670 + 91.149 45.265 133.709-153.352 + 92.837 75.459 139.734-132.262 + 90.457 -65.203 139.706-143.216 + 101.148 -62.321 180.000 180.000 + 97.698 -39.290 180.000 180.000 + 92.634 102.275 136.935-165.266 + 94.008 101.907 111.774 -78.854 + 120.600 -97.051 131.295-149.591 + 95.158 82.921 180.000 180.000 + 124.980 -71.699 137.082 -81.109 + 119.614-111.250 110.580-114.640 + 119.792-137.142 109.532-109.274 + 117.883-118.244 122.475-129.134 + 121.838 0.000 121.442 -81.028 + # 80 total E -8.76934E+01 rmsd from N 3.200 %NC 0.47 1 + 93.866 109.889 146.562 -11.230 + 91.524 77.864 131.672 -30.497 + 92.097 38.877 138.298 116.793 + 91.642 51.614 140.097 -88.278 + 90.046 39.788 119.511-126.245 + 90.526 58.092 132.593 -33.305 + 90.073 45.936 142.710 167.957 + 91.204 76.857 92.940 -76.965 + 90.716 -59.141 135.498-137.271 + 106.964 -67.342 180.000 180.000 + 99.541 -31.037 180.000 180.000 + 93.023 104.885 106.421 -85.517 + 93.322 96.269 112.948 -77.406 + 118.832 -75.105 117.749 -84.418 + 94.910 89.781 180.000 180.000 + 132.847 -63.940 129.420-139.850 + 119.578-106.864 104.450-107.371 + 116.652-141.500 108.791-109.562 + 116.755-118.487 130.579-143.114 + 121.732 0.000 121.633 -80.717 + # 81 total E -8.86129E+01 rmsd from N 2.806 %NC 0.53 1 + 119.144-116.805 110.318 -82.693 + 91.610 71.355 138.546 -40.247 + 91.880 43.577 124.417 122.659 + 90.799 47.617 144.351 -95.657 + 89.701 43.509 124.025-109.224 + 90.815 50.365 156.604 -12.413 + 90.693 44.125 136.239-172.758 + 91.759 74.143 106.699 -98.364 + 90.513 -63.879 127.107-143.489 + 106.177 -69.179 180.000 180.000 + 99.977 -27.096 180.000 180.000 + 93.185 103.215 135.536-161.062 + 93.902 91.342 114.649 -76.663 + 127.058 -85.710 122.289 -77.569 + 95.471 89.834 180.000 180.000 + 130.456 -76.203 139.862-133.004 + 120.729-116.351 109.349-114.724 + 120.196-136.425 109.585-108.729 + 117.979-118.752 121.921-126.515 + 121.891 0.000 121.575 -81.057 + # 82 total E -8.91923E+01 rmsd from N 2.094 %NC 0.47 1 + 93.710 62.497 110.049 -80.583 + 91.507 83.018 127.298 -24.336 + 91.531 44.238 95.398 -86.465 + 90.647 44.599 149.201 -95.245 + 90.289 43.056 117.982-122.266 + 91.148 48.355 155.152 32.891 + 90.813 44.318 131.186-154.291 + 92.029 71.357 137.283-133.091 + 90.866 -65.877 134.909-124.834 + 110.014 -67.487 180.000 180.000 + 112.469 -56.107 180.000 180.000 + 92.477 76.398 139.961-169.275 + 92.676 107.831 112.940 -76.391 + 124.189 -87.324 117.395 -84.830 + 94.748 73.952 180.000 180.000 + 126.778 -73.520 140.254 -62.322 + 119.743-111.407 107.769-110.271 + 119.244-137.733 111.987-112.985 + 117.481-118.299 125.256-132.246 + 121.821 0.000 121.484 -80.971 + # 83 total E -8.90878E+01 rmsd from N 3.004 %NC 0.60 1 + 93.966 122.828 142.502 -7.115 + 91.530 90.380 136.905 -11.975 + 90.696 44.881 135.696 113.085 + 90.148 46.913 144.467 -91.742 + 89.455 45.840 123.760-135.352 + 89.575 50.089 145.581 -12.920 + 90.203 43.730 141.919-160.940 + 91.720 74.595 133.062-133.366 + 90.630 -56.006 133.566-133.615 + 109.404 -71.173 180.000 180.000 + 101.700 -26.611 180.000 180.000 + 92.789 99.718 139.370-167.113 + 92.717 103.578 114.574 -78.278 + 120.845 -84.623 128.740-151.109 + 95.550 78.298 180.000 180.000 + 128.582 -80.237 145.752 -39.471 + 119.758-111.658 112.757-115.563 + 119.563-135.025 110.054-110.352 + 118.264-118.712 119.717-124.239 + 121.891 0.000 121.553 -81.071 + # 84 total E -8.87956E+01 rmsd from N 2.157 %NC 0.67 1 + 93.889 123.019 146.967 -8.052 + 91.322 84.571 126.198 -23.727 + 91.383 44.445 95.636 -86.774 + 90.693 44.366 149.347 -95.554 + 90.547 43.153 116.863-124.272 + 91.478 47.988 149.071 37.532 + 91.036 44.230 132.299-146.553 + 92.142 71.966 137.534-132.250 + 91.307 -67.304 133.636-131.747 + 112.719 -59.347 180.000 180.000 + 115.083 -62.653 180.000 180.000 + 93.391 66.188 139.644-167.970 + 93.552 112.870 109.288 61.331 + 119.955 -81.895 118.310 -84.054 + 94.504 71.797 180.000 180.000 + 124.904 -74.754 140.114 -55.387 + 119.913-111.504 107.848-109.753 + 119.493-137.027 112.849-113.861 + 117.728-118.339 123.704-130.091 + 121.841 0.000 121.475 -81.017 + # 85 total E -8.72454E+01 rmsd from N 2.081 %NC 0.53 1 + 114.154 171.287 150.050-102.000 + 90.971 78.459 129.283 -8.200 + 90.207 48.545 96.378 -88.684 + 89.443 43.073 144.148-101.713 + 90.734 44.857 121.889-126.077 + 91.482 43.732 139.407 78.702 + 91.515 45.453 129.366-145.799 + 93.047 73.824 139.013-133.148 + 90.975 -68.548 141.863-137.911 + 106.075 -59.398 180.000 180.000 + 108.652 -61.918 180.000 180.000 + 92.682 77.281 136.688-164.624 + 93.392 100.700 113.073 -76.539 + 122.041 -84.150 123.879 -83.683 + 96.504 79.941 180.000 180.000 + 122.332 -78.420 145.857 -35.642 + 120.456-112.875 109.053-110.103 + 119.859-136.838 110.662-110.877 + 117.840-118.426 123.070-128.927 + 121.859 0.000 121.484 -81.045 + # 86 total E -8.72197E+01 rmsd from N 2.693 %NC 0.53 1 + 93.704 41.720 109.203 -81.332 + 91.947 94.742 138.942 -17.336 + 90.675 47.725 127.436 114.247 + 89.440 44.076 147.911 -91.702 + 89.501 47.559 124.430-134.306 + 89.365 51.610 161.175 34.565 + 90.103 41.697 138.911-155.323 + 92.167 73.647 129.516-134.096 + 90.924 -59.048 135.159-132.576 + 105.891 -67.621 180.000 180.000 + 100.481 -32.932 180.000 180.000 + 92.604 102.358 139.788-169.374 + 92.732 99.361 113.375 -79.120 + 110.578 -80.733 131.470-171.103 + 97.002 85.320 180.000 180.000 + 129.498 -88.088 140.811 -34.693 + 120.835-109.462 118.113-121.624 + 119.635-132.910 111.541-111.761 + 118.805-118.543 115.712-118.116 + 121.877 0.000 121.496 -81.067 + # 87 total E -8.69533E+01 rmsd from N 2.053 %NC 0.60 1 + 93.905 123.885 146.377 -6.976 + 91.462 88.918 131.940 -19.763 + 90.591 47.358 98.252 -87.201 + 89.769 43.031 147.240 -99.753 + 90.730 44.822 123.071-124.795 + 91.494 43.884 136.857 83.881 + 91.535 45.936 129.549-143.198 + 93.220 73.954 140.092-133.418 + 91.033 -69.829 143.252-141.186 + 105.039 -57.207 180.000 180.000 + 109.022 -65.084 180.000 180.000 + 92.788 78.643 136.942-165.352 + 93.499 108.342 113.161 -76.609 + 119.702 -97.125 130.954-107.753 + 95.016 78.397 180.000 180.000 + 121.787 -66.655 112.794-128.759 + 119.500-140.609 109.249-111.751 + 121.471-110.829 113.256-112.589 + 117.599-118.497 124.707-132.944 + 121.845 0.000 121.521 -80.998 + # 88 total E -8.71601E+01 rmsd from N 2.043 %NC 0.67 1 + 93.863 110.729 146.628 -11.991 + 91.554 80.094 134.078 -28.534 + 92.323 43.148 132.230 106.464 + 91.002 44.574 140.592 -93.209 + 90.032 44.381 118.313-116.224 + 90.929 50.282 158.610 -11.210 + 90.635 42.876 137.440 152.576 + 91.320 66.161 106.491 -98.322 + 92.099 -72.911 131.319-117.907 + 118.873 -44.549 180.000 180.000 + 121.828 -60.407 180.000 180.000 + 93.397 65.090 100.748 -81.503 + 93.068 143.439 120.550 122.168 + 95.290 -68.412 124.764-158.303 + 94.295 66.272 180.000 180.000 + 126.583 -87.041 109.263-105.805 + 118.901-106.673 117.792-123.666 + 118.633-135.658 113.473-114.973 + 118.276-118.661 119.864-123.873 + 121.880 0.000 121.546 -81.053 + # 89 total E -8.89830E+01 rmsd from N 2.236 %NC 0.53 1 + 93.901 124.222 146.687 -6.868 + 91.474 88.189 132.293 -23.978 + 91.100 45.694 99.264 -88.253 + 90.096 43.358 145.660 -94.931 + 90.962 42.924 118.056-126.348 + 91.116 46.646 144.688 85.831 + 91.201 46.349 133.206-156.592 + 92.815 75.029 139.375-131.891 + 90.487 -65.778 139.943-143.507 + 101.124 -62.223 180.000 180.000 + 97.864 -39.609 180.000 180.000 + 92.606 101.994 136.903-165.063 + 94.035 100.740 111.511 -78.798 + 120.758 -96.409 131.873-148.544 + 95.096 83.803 180.000 180.000 + 125.749 -71.319 138.702 -78.962 + 119.811-111.570 109.197-112.728 + 119.600-137.590 109.630-109.608 + 117.747-118.276 123.544-130.692 + 121.831 0.000 121.463 -81.004 + # 90 total E -8.74294E+01 rmsd from N 3.074 %NC 0.53 1 + 93.853 113.337 146.155 -10.382 + 91.407 77.410 124.709 -32.505 + 93.008 35.324 144.129 116.518 + 92.590 53.610 140.259 -87.498 + 90.376 38.647 120.732-124.280 + 90.948 59.435 123.502 -41.913 + 90.058 44.495 148.980 178.331 + 91.374 72.869 90.762 -75.964 + 90.899 -63.438 138.070-134.279 + 108.820 -68.048 180.000 180.000 + 100.991 -29.283 180.000 180.000 + 92.809 101.850 114.321-105.214 + 92.746 86.296 112.281 -77.537 + 95.219 -87.749 109.011 -86.520 + 94.395 122.480 180.000 180.000 + 133.225 -67.338 146.923-163.989 + 117.055-106.021 109.144-116.977 + 118.338-141.772 108.109-107.296 + 116.748-118.475 131.289-144.329 + 121.728 0.000 121.630 -80.711 + # 91 total E -8.75168E+01 rmsd from N 2.793 %NC 0.53 1 + 115.186 162.436 147.991 -19.412 + 91.259 85.667 130.950 5.204 + 90.431 49.776 137.642 111.070 + 89.628 46.583 145.564 -92.568 + 89.174 47.173 127.152-144.262 + 89.492 49.182 146.549 -7.060 + 90.250 45.580 140.250-157.075 + 91.748 76.786 133.342-132.575 + 90.390 -58.358 131.645-139.069 + 106.112 -70.690 180.000 180.000 + 100.608 -29.015 180.000 180.000 + 92.962 103.095 138.053-165.589 + 94.159 95.125 113.238 -77.067 + 125.928 -81.227 126.979 -78.262 + 96.358 81.501 180.000 180.000 + 128.483 -83.323 146.159 -33.132 + 119.914-113.095 111.660-113.307 + 119.796-134.329 110.352-110.612 + 118.407-118.672 118.714-122.607 + 121.890 0.000 121.534 -81.079 + # 92 total E -8.83877E+01 rmsd from N 2.638 %NC 0.53 1 + 93.857 102.349 146.840 -11.478 + 91.422 73.261 138.676 -37.365 + 91.263 44.593 124.421 120.314 + 90.176 47.517 142.939 -91.979 + 89.771 44.687 119.422-124.269 + 90.853 45.639 151.285 -1.649 + 91.343 43.393 135.333-165.979 + 92.933 65.235 138.155-132.604 + 91.829 -62.114 120.607 -85.780 + 116.845 -73.781 180.000 180.000 + 118.101 -46.548 180.000 180.000 + 92.683 73.541 135.866-162.696 + 92.324 98.841 112.464 -76.287 + 127.590 -76.481 119.501 -86.335 + 95.469 76.599 180.000 180.000 + 127.494 -78.367 152.719-134.058 + 120.772-115.209 110.119-115.490 + 119.914-136.293 111.415-111.005 + 118.047-118.711 121.480-125.260 + 121.889 0.000 121.561 -81.061 + # 93 total E -8.89154E+01 rmsd from N 2.755 %NC 0.53 1 + 93.710 38.010 108.339 -80.450 + 91.634 73.381 137.669 -41.093 + 91.877 44.219 124.830 121.639 + 90.733 47.158 145.904 -97.251 + 89.862 44.731 123.535-109.510 + 91.141 48.787 155.821 -7.110 + 90.773 44.870 136.562-154.059 + 91.807 73.508 107.688 -97.798 + 90.393 -67.880 127.382-140.632 + 107.207 -70.785 180.000 180.000 + 99.727 -23.805 180.000 180.000 + 93.513 103.530 135.363-159.053 + 93.561 87.838 116.602 -75.931 + 125.188 -90.342 120.715 -78.004 + 95.334 91.327 180.000 180.000 + 133.038 -74.058 140.625-128.262 + 120.160-112.426 110.228-116.190 + 120.428-136.112 110.244-109.183 + 118.198-118.689 120.370-124.695 + 121.892 0.000 121.545 -81.076 + # 94 total E -8.75730E+01 rmsd from N 1.748 %NC 0.60 1 + 93.929 123.643 145.752 -7.297 + 91.545 88.264 135.083 -23.810 + 91.543 45.060 124.448 105.661 + 90.118 44.999 142.248 -87.960 + 89.927 45.883 119.332-126.423 + 90.038 48.315 157.357 43.447 + 90.601 49.463 143.206-179.490 + 92.018 74.793 136.825-132.350 + 90.379 -68.057 137.006-123.310 + 102.050 -64.789 180.000 180.000 + 98.877 -32.435 180.000 180.000 + 92.567 103.205 133.924-160.071 + 94.865 124.142 113.094 -77.206 + 104.084 -87.776 116.250 -76.098 + 94.685 65.855 180.000 180.000 + 131.887 -81.217 107.962 -60.658 + 117.755-104.580 124.279-132.587 + 118.641-134.927 110.154-110.251 + 118.405-118.629 118.105-122.378 + 121.876 0.000 121.532 -81.057 + # 95 total E -8.71046E+01 rmsd from N 2.805 %NC 0.47 1 + 115.640 -48.129 148.355 -19.299 + 91.541 74.408 137.240 -42.920 + 91.902 43.778 124.583 122.422 + 90.807 47.688 144.096 -95.413 + 89.713 43.405 124.433-108.265 + 90.843 50.392 156.535 -12.608 + 90.702 44.228 136.302-173.482 + 91.747 74.084 106.633 -98.309 + 90.520 -63.973 127.029-143.477 + 106.226 -69.185 180.000 180.000 + 100.004 -27.074 180.000 180.000 + 93.176 103.176 135.572-161.098 + 93.877 91.187 114.638 -76.662 + 126.979 -85.782 122.144 -77.644 + 95.448 90.111 180.000 180.000 + 130.560 -76.033 140.046-133.491 + 120.739-116.539 109.216-114.590 + 120.217-136.456 109.582-108.703 + 117.950-118.751 122.092-126.771 + 121.890 0.000 121.577 -81.055 + # 96 total E -8.78264E+01 rmsd from N 3.290 %NC 0.47 1 + 93.872 113.048 146.488 -10.372 + 91.428 76.409 125.174 -36.304 + 93.175 35.166 141.246 118.261 + 92.676 53.427 140.391 -87.649 + 90.299 38.513 121.234-122.844 + 90.959 59.833 127.171 -42.321 + 90.062 43.911 145.140 171.822 + 91.430 73.898 92.210 -77.408 + 90.967 -60.597 137.630-137.800 + 108.690 -68.338 180.000 180.000 + 100.494 -29.569 180.000 180.000 + 93.039 104.409 108.744 -89.994 + 93.095 89.072 112.840 -77.407 + 119.158 -75.926 116.056 -83.543 + 94.823 94.893 180.000 180.000 + 134.400 -63.147 133.576-146.997 + 119.563-109.011 107.094-112.951 + 118.257-141.274 108.560-108.328 + 116.553-118.544 131.559-143.629 + 121.733 0.000 121.644 -80.723 + # 97 total E -8.97809E+01 rmsd from N 2.762 %NC 0.60 1 + 93.870 103.876 146.204 -10.541 + 91.421 71.584 137.477 -39.697 + 91.654 44.597 125.408 121.261 + 90.596 46.996 145.536 -96.132 + 89.817 45.118 121.826-113.985 + 91.108 48.457 155.811 -5.827 + 90.768 44.858 136.351-153.886 + 91.832 73.586 108.551 -97.900 + 90.387 -67.972 127.505-140.454 + 107.195 -70.803 180.000 180.000 + 99.706 -23.767 180.000 180.000 + 93.527 103.534 135.293-158.937 + 93.566 87.758 116.629 -75.922 + 125.350 -90.425 120.606 -77.964 + 95.316 91.199 180.000 180.000 + 132.967 -73.892 140.931-127.508 + 120.196-112.330 110.270-116.256 + 120.419-136.187 110.212-109.115 + 118.171-118.692 120.550-125.004 + 121.891 0.000 121.548 -81.074 + # 98 total E -8.72116E+01 rmsd from N 2.005 %NC 0.67 1 + 93.987 126.029 142.594 -2.537 + 91.454 89.543 135.743 -18.006 + 91.160 46.916 126.101 98.387 + 90.055 44.702 147.829 -91.061 + 90.079 46.656 121.594-128.506 + 90.283 50.504 158.745 39.991 + 90.409 41.778 145.208-129.804 + 92.072 68.766 131.683-135.350 + 91.125 -60.937 136.493-118.419 + 113.760 -63.519 180.000 180.000 + 101.070 -21.978 180.000 180.000 + 93.262 94.981 95.821 -83.452 + 122.124 144.215 118.183 -80.583 + 94.865 -75.328 113.541 -77.411 + 93.408 64.553 180.000 180.000 + 129.294 -76.929 88.597 -63.991 + 118.026-105.257 125.050-132.914 + 120.417-115.944 109.285-109.229 + 118.484-118.554 114.372-118.519 + 121.873 0.000 121.495 -81.066 + # 99 total E -8.72045E+01 rmsd from N 2.497 %NC 0.53 1 + 93.702 41.686 109.222 -81.336 + 91.943 93.972 138.433 -17.622 + 90.719 47.848 127.618 114.699 + 89.514 43.601 148.337 -91.737 + 89.549 47.901 123.655-132.761 + 89.469 51.860 158.763 34.384 + 90.164 41.951 139.255-152.210 + 92.187 73.446 129.204-134.375 + 91.086 -60.027 135.551-131.407 + 106.076 -65.908 180.000 180.000 + 102.491 -35.264 180.000 180.000 + 92.646 99.069 138.788-167.755 + 93.311 105.928 111.209 -78.869 + 95.689 -84.653 127.678-179.024 + 96.645 91.695 180.000 180.000 + 130.006 -86.249 136.560 -41.587 + 120.651-111.061 118.334-122.256 + 119.438-117.420 111.119-111.300 + 118.116-118.671 118.959-123.505 + 121.893 0.000 121.533 -81.085 + # 100 total E -8.73846E+01 rmsd from N 2.069 %NC 0.60 1 + 93.709 57.138 110.016 -80.732 + 91.710 88.583 134.196 -21.589 + 90.895 46.041 100.579 -87.246 + 89.744 43.529 150.103 -98.587 + 90.881 44.371 121.133-127.086 + 91.484 44.176 140.446 85.871 + 91.604 44.713 130.565-137.264 + 93.256 74.640 140.647-133.799 + 91.157 -70.281 142.830-139.805 + 105.893 -53.013 180.000 180.000 + 111.737 -64.418 180.000 180.000 + 93.108 75.599 136.849-164.736 + 92.880 113.648 114.162 -76.902 + 121.107 -89.725 124.625-134.836 + 95.447 74.678 180.000 180.000 + 119.233 -75.411 135.946 -48.214 + 119.329-117.938 107.070-107.635 + 118.492-115.975 141.753-156.762 + 117.674-118.301 123.692-128.445 + 121.865 0.000 121.420 -81.090 + # 101 total E -8.69698E+01 rmsd from N 2.854 %NC 0.47 1 + 115.537 170.924 151.677 -13.597 + 91.634 76.793 137.641 -40.867 + 91.336 45.918 126.891 119.881 + 90.196 47.959 143.395 -91.311 + 89.465 43.401 119.567-123.940 + 90.126 49.595 155.028 -8.083 + 90.652 43.375 134.942 179.981 + 91.896 70.765 135.299-132.618 + 91.187 -62.440 134.146-120.224 + 111.583 -61.063 180.000 180.000 + 114.354 -51.856 180.000 180.000 + 92.719 79.981 105.329-100.437 + 93.300 105.054 112.331 -77.206 + 124.797 -73.076 121.484 -84.078 + 94.716 79.735 180.000 180.000 + 126.157 -65.143 151.337-125.608 + 120.247-112.302 107.482-111.892 + 120.660-137.240 111.569-110.749 + 117.836-118.774 122.657-128.548 + 121.887 0.000 121.589 -81.043 + # 102 total E -8.71202E+01 rmsd from N 2.745 %NC 0.47 1 + 93.906 121.866 145.512 -9.571 + 91.621 90.289 137.637 -13.596 + 90.386 46.822 92.053 -80.040 + 89.934 44.399 145.483-100.996 + 89.037 50.538 126.217-127.611 + 89.426 54.913 153.718 -22.460 + 89.751 40.665 135.863-160.248 + 91.790 74.526 105.216-107.658 + 90.679 -58.430 134.432-133.646 + 106.971 -69.825 180.000 180.000 + 100.631 -25.885 180.000 180.000 + 93.329 105.911 141.177-170.327 + 94.419 111.357 115.208 -76.430 + 117.264 -93.004 140.979 -39.061 + 95.457 73.970 180.000 180.000 + 129.355 -72.629 111.614 -55.561 + 116.564 -99.373 125.999-135.059 + 118.603-138.098 107.845-107.195 + 117.815-118.361 122.931-131.716 + 121.826 0.000 121.500 -80.973 + # 103 total E -8.77749E+01 rmsd from N 1.925 %NC 0.53 1 + 93.861 116.999 147.098 -12.442 + 91.564 84.042 136.256 -26.616 + 91.527 44.668 124.653 109.424 + 90.260 44.450 142.707 -89.359 + 89.935 45.142 118.659-123.199 + 90.211 48.437 161.730 36.539 + 90.635 47.235 143.196-177.097 + 91.913 74.297 135.834-130.939 + 90.445 -67.242 132.568-132.265 + 102.993 -65.011 180.000 180.000 + 99.495 -33.553 180.000 180.000 + 92.559 101.875 134.058-160.575 + 94.675 115.663 111.660 -77.483 + 120.368 -89.089 121.787 -79.798 + 95.395 71.152 180.000 180.000 + 129.635 -88.479 114.184 -99.610 + 118.996-108.026 120.560-128.096 + 117.951-137.652 108.815-109.169 + 117.429-118.737 125.388-132.597 + 121.846 0.000 121.621 -80.945 + # 104 total E -8.74625E+01 rmsd from N 1.751 %NC 0.67 1 + 93.970 126.301 143.630 -2.535 + 91.461 89.367 134.976 -20.405 + 91.389 44.396 124.057 103.377 + 89.985 46.692 144.645 -90.085 + 90.124 46.061 121.055-129.804 + 90.610 45.916 153.920 36.514 + 91.031 44.416 143.342-146.986 + 92.273 72.017 137.803-133.697 + 91.198 -71.465 136.280-115.204 + 111.406 -53.010 180.000 180.000 + 117.324 -61.972 180.000 180.000 + 93.434 65.690 131.372-156.187 + 93.027 145.196 111.083 108.611 + 95.237 -69.736 118.091-151.566 + 93.872 62.322 180.000 180.000 + 124.285 -87.015 104.888 -57.512 + 118.611-105.113 120.494-125.719 + 119.238-131.764 113.855-115.816 + 118.837-118.460 114.498-117.212 + 121.851 0.000 121.476 -81.035 + # 105 total E -8.77721E+01 rmsd from N 3.220 %NC 0.53 1 + 93.951 121.718 142.998 -8.451 + 91.556 89.410 136.116 -13.007 + 90.865 44.323 138.512 110.847 + 90.456 46.963 143.781 -90.694 + 89.713 46.089 122.895-133.164 + 89.976 48.569 139.721 -15.436 + 90.562 47.690 141.895-155.369 + 92.240 80.986 134.395-124.404 + 90.924 -61.511 102.216 -76.151 + 108.707 -52.847 180.000 180.000 + 92.524 -35.525 180.000 180.000 + 94.876 145.956 107.373-100.350 + 92.935 96.232 112.816 -76.614 + 131.646 -90.115 119.958 -83.715 + 94.728 87.297 180.000 180.000 + 129.384 -62.470 138.165 -60.160 + 118.661-106.961 103.421-104.453 + 118.223-138.554 109.427-110.110 + 117.355-118.597 126.095-135.296 + 121.825 0.000 121.588 -80.922 + # 106 total E -8.72589E+01 rmsd from N 2.559 %NC 0.60 1 + 115.328 162.801 147.716 -18.568 + 91.317 85.605 127.401 5.429 + 90.451 52.344 137.200 112.574 + 90.146 47.515 146.582 -93.857 + 89.468 44.542 127.712-144.215 + 89.748 51.440 145.358 -10.231 + 90.300 46.264 142.615-154.168 + 91.504 75.908 133.336-132.301 + 90.502 -56.805 129.586-140.077 + 107.491 -70.220 180.000 180.000 + 101.081 -28.439 180.000 180.000 + 92.643 101.070 139.381-167.672 + 93.090 106.982 113.669 -77.664 + 115.780 -89.478 128.094-143.164 + 94.900 80.354 180.000 180.000 + 128.263 -79.787 114.151-133.516 + 119.688-114.910 113.999-118.447 + 119.192-116.057 110.428-110.921 + 117.866-118.729 121.133-126.993 + 121.889 0.000 121.563 -81.062 + # 107 total E -8.82243E+01 rmsd from N 2.989 %NC 0.53 1 + 93.702 41.770 109.324 -81.454 + 91.976 95.323 137.787 -15.598 + 91.070 45.092 134.326 115.347 + 90.277 46.547 145.283 -91.991 + 89.507 45.862 124.422-135.827 + 89.611 49.996 146.842 -12.014 + 90.229 43.656 141.071-160.932 + 91.737 74.410 133.123-133.293 + 90.625 -56.440 133.368-133.467 + 109.260 -70.968 180.000 180.000 + 101.645 -26.757 180.000 180.000 + 92.786 99.696 139.392-167.176 + 92.739 104.044 114.577 -78.316 + 121.039 -84.865 128.650-151.319 + 95.517 77.919 180.000 180.000 + 128.355 -80.369 144.775 -40.201 + 119.679-111.614 113.287-116.294 + 119.585-134.587 110.153-110.467 + 118.355-118.703 119.012-123.214 + 121.891 0.000 121.543 -81.075 + # 108 total E -8.71106E+01 rmsd from N 2.786 %NC 0.53 1 + 93.704 38.431 108.907 -81.060 + 91.706 79.348 126.627 -26.691 + 92.732 35.811 146.940 115.717 + 92.207 55.402 138.840 -87.014 + 90.381 38.663 119.512-129.933 + 90.770 57.395 119.279 -43.290 + 89.871 46.432 152.742-174.459 + 90.922 69.805 89.940 -73.322 + 90.407 -69.147 138.174-128.132 + 112.373 -75.167 180.000 180.000 + 102.119 -21.311 180.000 180.000 + 92.924 98.905 138.636-163.544 + 92.937 71.832 115.396 -76.326 + 94.211 -95.438 108.869 -85.451 + 93.899 144.345 180.000 180.000 + 137.334 -78.807 147.330 158.063 + 115.782-103.767 112.818-122.434 + 118.566-142.082 106.960-105.393 + 116.824-118.437 131.313-145.075 + 121.765 0.000 121.588 -80.781 + # 109 total E -8.75850E+01 rmsd from N 2.588 %NC 0.60 1 + 93.930 121.243 143.948 -9.027 + 91.198 87.938 131.096 -0.643 + 90.457 49.095 136.499 111.124 + 89.947 47.038 148.814 -94.906 + 89.759 45.837 127.062-140.859 + 90.519 48.119 142.622 -7.679 + 90.789 42.428 138.420-134.172 + 92.307 74.906 135.012-135.036 + 91.549 -63.201 135.311-118.886 + 115.018 -49.557 180.000 180.000 + 121.011 -56.620 180.000 180.000 + 93.626 69.711 140.587-166.956 + 92.445 127.357 122.467 130.993 + 94.871 -70.004 120.904-148.058 + 94.788 73.969 180.000 180.000 + 128.174 -81.781 137.143 -49.129 + 119.954-111.842 112.117-114.125 + 119.369-116.024 117.692-120.754 + 118.169-118.600 118.205-122.547 + 121.888 0.000 121.509 -81.088 + # 110 total E -8.77830E+01 rmsd from N 2.477 %NC 0.53 1 + 93.856 98.303 146.495 -12.627 + 91.399 70.314 138.007 -41.581 + 90.715 50.427 124.105 112.382 + 89.408 45.661 145.898 -91.379 + 89.782 45.579 117.961-122.162 + 90.612 49.705 151.199 30.538 + 90.437 41.468 138.190-153.275 + 92.096 67.763 132.847-134.684 + 91.301 -67.340 135.812-114.521 + 113.010 -62.576 180.000 180.000 + 119.043 -52.358 180.000 180.000 + 92.929 73.944 140.169-168.919 + 93.649 96.080 112.991 -76.236 + 115.955 -69.616 154.047 -90.495 + 97.089 80.715 180.000 180.000 + 131.286 -85.775 156.835-132.316 + 121.548-113.915 109.595-112.713 + 119.309-135.894 113.516-114.662 + 118.432-118.606 119.287-121.382 + 121.881 0.000 121.519 -81.069 + # 111 total E -8.74192E+01 rmsd from N 2.641 %NC 0.53 1 + 119.273-129.350 110.882 -81.029 + 91.706 77.649 134.398 -29.210 + 92.531 37.172 133.388 119.882 + 91.844 51.786 141.802 -89.861 + 90.239 39.846 118.917-125.581 + 90.900 53.878 138.486 -35.801 + 90.270 45.316 140.762-179.322 + 91.342 75.193 95.159 -74.352 + 90.212 -63.040 135.340-136.134 + 106.921 -70.498 180.000 180.000 + 100.365 -26.427 180.000 180.000 + 92.938 101.602 135.196-160.508 + 93.448 84.272 114.684 -76.659 + 95.700 -99.052 109.573 -82.936 + 94.096 135.444 180.000 180.000 + 132.250 -74.936 149.683 175.263 + 117.088-110.058 109.241-116.424 + 120.888-138.092 110.745-108.993 + 117.540-118.726 125.213-132.738 + 121.858 0.000 121.604 -80.979 + # 112 total E -8.72062E+01 rmsd from N 1.832 %NC 0.60 1 + 93.854 107.949 147.076 -11.849 + 91.539 78.914 136.245 -28.959 + 91.724 44.567 127.237 111.378 + 90.454 44.067 141.580 -92.546 + 89.890 46.003 117.560-120.493 + 90.276 49.155 169.308 22.787 + 90.595 50.153 142.085-177.114 + 92.113 73.580 118.124-107.204 + 91.222 -68.560 91.393 -72.843 + 101.135 -61.923 180.000 180.000 + 100.159 -30.032 180.000 180.000 + 92.631 104.557 134.210-160.194 + 93.499 128.349 113.394 -76.783 + 93.978 -83.609 111.685 -79.412 + 94.521 68.046 180.000 180.000 + 135.534 -77.210 111.701 -87.956 + 118.218-102.132 121.946-130.085 + 117.234-136.159 109.612-110.632 + 118.055-118.733 120.843-127.253 + 121.879 0.000 121.578 -81.032 + # 113 total E -8.87927E+01 rmsd from N 2.100 %NC 0.53 1 + 116.767-178.156 115.022 -81.697 + 91.519 85.097 127.172 -26.759 + 91.622 43.949 94.975 -85.367 + 90.701 44.680 149.556 -94.953 + 90.305 42.907 117.656-122.546 + 91.171 48.410 155.217 32.943 + 90.823 44.247 131.084-154.380 + 92.031 71.375 137.470-133.017 + 90.865 -65.889 134.820-125.251 + 110.016 -67.519 180.000 180.000 + 112.451 -56.123 180.000 180.000 + 92.477 76.361 139.931-169.232 + 92.676 107.863 112.940 -76.390 + 124.247 -87.290 117.398 -84.850 + 94.745 73.930 180.000 180.000 + 126.731 -73.549 140.234 -62.424 + 119.746-111.382 107.837-110.370 + 119.235-137.721 111.975-112.971 + 117.494-118.308 125.195-132.169 + 121.821 0.000 121.485 -80.972 + # 114 total E -8.71947E+01 rmsd from N 3.209 %NC 0.47 1 + 93.871 113.069 145.728 -14.448 + 91.722 88.331 137.204 -14.171 + 91.954 41.966 175.528 177.703 + 89.725 48.831 132.880 -86.784 + 89.093 53.824 117.688-135.002 + 88.558 58.428 118.531 -52.788 + 89.468 43.093 152.661-174.764 + 91.731 72.962 88.524 -68.996 + 91.041 -57.987 145.472-121.641 + 108.866 -71.129 180.000 180.000 + 101.825 -23.595 180.000 180.000 + 93.461 107.209 135.382-160.635 + 93.319 93.761 115.030 -76.175 + 112.815 -86.237 119.680 -72.778 + 95.956 93.544 180.000 180.000 + 134.838 -76.088 155.192 -28.405 + 120.892-108.826 104.875-103.844 + 118.296-138.636 107.648-107.825 + 117.388-118.781 126.529-136.339 + 121.846 0.000 121.634 -80.939 + # 115 total E -8.86438E+01 rmsd from N 2.083 %NC 0.67 1 + 112.378 156.768 150.197 -39.892 + 91.997 84.004 132.582 -20.458 + 91.404 42.770 102.021 -84.327 + 90.551 45.161 150.345 -94.416 + 90.344 43.220 118.108-125.921 + 90.886 49.085 151.382 39.158 + 90.410 43.226 129.959-154.510 + 91.796 70.801 136.758-137.936 + 90.939 -66.110 141.169 -41.024 + 110.831 -68.979 180.000 180.000 + 113.087 -60.483 180.000 180.000 + 92.459 71.374 139.801-169.464 + 92.574 105.568 113.198 -76.340 + 128.788 -86.262 117.049 -86.993 + 94.996 72.740 180.000 180.000 + 124.226 -76.149 140.760 -57.037 + 119.822-112.274 109.110-111.771 + 119.580-137.450 112.191-112.910 + 117.576-118.315 124.674-130.922 + 121.856 0.000 121.497 -81.020 + # 116 total E -8.83451E+01 rmsd from N 2.081 %NC 0.47 1 + 114.341 172.044 150.491-103.455 + 91.045 74.730 127.471 -16.876 + 90.932 45.176 93.306 -84.878 + 90.508 43.620 146.489 -97.548 + 90.296 43.659 117.257-122.580 + 91.113 47.942 155.737 31.175 + 90.753 44.903 131.185-155.530 + 91.993 71.242 136.294-133.246 + 90.854 -66.355 135.422-121.176 + 109.764 -67.118 180.000 180.000 + 112.511 -54.730 180.000 180.000 + 92.510 77.823 140.049-169.265 + 92.718 107.959 112.849 -76.411 + 123.748 -87.724 117.432 -84.522 + 94.714 74.263 180.000 180.000 + 127.258 -72.967 139.842 -65.116 + 119.743-111.073 107.736-110.378 + 119.089-137.874 111.861-112.917 + 117.444-118.307 125.534-132.849 + 121.776 0.000 121.456 -80.942 + # 117 total E -9.02355E+01 rmsd from N 2.095 %NC 0.53 1 + 93.879 122.540 147.437 -8.679 + 91.373 84.314 126.970 -25.830 + 91.414 44.416 94.450 -85.485 + 90.671 44.439 148.604 -95.354 + 90.321 43.021 117.626-122.687 + 91.193 48.302 155.156 32.915 + 90.817 44.337 131.147-154.823 + 92.020 71.249 137.181-132.956 + 90.876 -65.955 134.734-125.113 + 110.082 -67.617 180.000 180.000 + 112.531 -56.053 180.000 180.000 + 92.476 76.307 139.966-169.266 + 92.667 107.764 112.938 -76.388 + 124.285 -87.356 117.352 -84.866 + 94.740 73.996 180.000 180.000 + 126.771 -73.495 140.340 -62.254 + 119.755-111.381 107.703-110.184 + 119.207-137.758 111.982-113.004 + 117.474-118.311 125.323-132.375 + 121.819 0.000 121.487 -80.968 + # 118 total E -8.77879E+01 rmsd from N 2.770 %NC 0.47 1 + 93.824 98.738 148.423 -13.757 + 91.605 77.612 131.076 -33.145 + 92.279 42.520 174.454 175.076 + 90.433 54.879 131.221 -83.992 + 89.718 46.196 118.641-133.371 + 89.500 61.402 108.976 -55.667 + 89.613 47.421 157.993-179.608 + 91.293 71.857 87.300 -74.315 + 90.993 -60.862 144.088-131.168 + 109.713 -70.950 180.000 180.000 + 102.069 -26.553 180.000 180.000 + 92.540 102.043 138.777-165.920 + 92.887 77.421 113.592 -76.886 + 93.470 -94.423 108.855 -85.745 + 93.939 151.817 180.000 180.000 + 138.777 -82.933 143.718 145.787 + 116.033-104.560 116.651-128.380 + 120.666-141.948 106.178-102.989 + 116.828-118.706 130.876-143.984 + 121.779 0.000 121.664 -80.793 + # 119 total E -8.76755E+01 rmsd from N 2.756 %NC 0.60 1 + 93.886 114.227 145.256 -13.011 + 91.287 85.371 130.495 -3.705 + 91.380 42.850 140.667 114.984 + 90.240 52.946 139.418 -88.626 + 89.292 46.033 122.969-139.984 + 89.364 54.164 131.210 -30.535 + 89.849 46.187 146.674-173.813 + 91.365 79.167 89.200 -68.825 + 90.355 -58.932 138.448-125.356 + 105.652 -69.398 180.000 180.000 + 99.969 -25.268 180.000 180.000 + 93.381 104.090 132.546-156.099 + 93.219 105.837 115.666 -76.164 + 95.913 -89.229 113.993 -75.187 + 95.009 95.060 180.000 180.000 + 136.254 -70.292 143.073 -63.440 + 120.033-106.525 106.605-108.497 + 117.396-138.619 107.879-108.637 + 117.494-118.660 125.862-135.812 + 121.826 0.000 121.611 -80.911 + # 120 total E -8.88539E+01 rmsd from N 2.103 %NC 0.60 1 + 112.146 157.365 151.828 -39.527 + 92.040 82.497 131.140 -25.465 + 91.804 42.250 101.496 -83.021 + 91.003 44.798 150.273 -95.268 + 90.391 42.667 117.724-121.684 + 91.194 48.524 156.327 34.123 + 90.831 44.422 131.186-152.826 + 92.078 71.848 137.849-133.201 + 90.832 -66.137 135.583-123.727 + 109.308 -66.243 180.000 180.000 + 111.961 -55.568 180.000 180.000 + 92.517 78.044 139.919-169.190 + 92.792 108.551 112.887 -76.429 + 123.440 -87.331 117.751 -84.447 + 94.769 73.709 180.000 180.000 + 126.912 -73.847 139.005 -65.570 + 119.631-111.215 108.929-111.974 + 119.463-137.387 111.888-112.689 + 117.642-118.278 124.156-130.457 + 121.830 0.000 121.465 -81.001 + # 121 total E -8.81564E+01 rmsd from N 2.845 %NC 0.67 1 + 93.855 94.792 146.364 -13.845 + 91.419 74.245 142.337-106.752 + 90.674 58.746 135.849 113.344 + 89.126 50.177 144.408 -96.587 + 89.215 44.790 122.842 -93.308 + 90.541 52.152 156.043 -9.874 + 90.516 40.806 134.785-166.845 + 91.869 73.203 102.070 -98.059 + 90.861 -59.298 130.786-137.511 + 109.004 -70.203 180.000 180.000 + 101.287 -26.341 180.000 180.000 + 93.079 100.021 139.090-166.431 + 93.350 105.633 115.335 -78.736 + 126.095 -87.274 133.125-160.505 + 95.773 74.662 180.000 180.000 + 124.054 -79.683 132.406 -93.181 + 119.971-110.544 116.988-122.881 + 119.581-134.192 109.233-108.844 + 118.404-118.697 118.516-122.823 + 121.891 0.000 121.543 -81.076 + # 122 total E -8.75581E+01 rmsd from N 2.141 %NC 0.67 1 + 93.896 118.300 145.438 -10.857 + 91.565 83.196 132.442 -16.644 + 92.673 37.137 176.423-179.238 + 91.440 51.602 141.195 -96.542 + 90.453 41.530 115.773-131.031 + 91.048 49.594 151.867 36.025 + 90.463 41.990 133.919-161.896 + 91.890 71.651 136.470-136.626 + 90.916 -65.770 140.775 -45.181 + 111.139 -71.140 180.000 180.000 + 112.715 -58.521 180.000 180.000 + 92.530 72.706 139.942-169.377 + 92.660 104.989 113.100 -76.353 + 128.794 -87.397 117.713 -86.906 + 95.059 72.972 180.000 180.000 + 124.786 -74.689 140.944 -58.138 + 119.514-111.319 108.546-111.277 + 119.621-142.304 112.163-112.895 + 118.775-105.454 125.298-131.321 + 120.362 0.000 118.289 -79.950 + # 123 total E -8.76204E+01 rmsd from N 2.876 %NC 0.47 1 + 93.702 41.933 109.387 -81.509 + 91.995 97.504 137.491 -14.335 + 90.900 46.151 135.380 113.959 + 90.065 45.939 145.326 -92.054 + 89.392 47.206 125.515-138.962 + 89.466 49.345 146.138 -8.907 + 90.202 45.356 140.852-158.526 + 91.733 76.417 133.129-132.567 + 90.430 -58.222 131.867-138.661 + 106.427 -71.038 180.000 180.000 + 100.791 -28.704 180.000 180.000 + 92.981 103.189 137.995-165.416 + 94.188 94.586 113.261 -77.064 + 126.069 -80.645 127.653 -78.061 + 96.463 81.562 180.000 180.000 + 128.595 -83.613 146.384 -31.868 + 119.874-112.891 111.929-113.568 + 119.791-134.495 110.194-110.406 + 118.379-118.684 118.921-122.929 + 121.888 0.000 121.535 -81.077 + # 124 total E -8.70608E+01 rmsd from N 2.775 %NC 0.67 1 + 115.829 174.979 152.225 -12.186 + 91.715 74.794 131.835 -65.653 + 91.855 59.261 123.645 119.187 + 89.818 49.838 145.503 -96.934 + 89.688 43.488 119.691-113.668 + 91.264 51.400 162.143 0.125 + 90.756 39.751 130.164-170.931 + 92.234 73.480 103.321 -96.431 + 91.005 -61.640 130.700-136.113 + 107.729 -68.819 180.000 180.000 + 101.313 -27.993 180.000 180.000 + 93.239 99.392 133.407-158.385 + 93.900 108.901 114.023 -78.993 + 131.206 -96.622 134.363-156.312 + 95.334 81.175 180.000 180.000 + 125.501 -66.755 132.341 -80.833 + 119.466-111.793 110.489-116.358 + 120.069-135.886 111.618-111.130 + 118.283-118.662 119.986-123.836 + 121.888 0.000 121.536 -81.074 + # 125 total E -8.77464E+01 rmsd from N 2.832 %NC 0.53 1 + 93.854 101.283 146.924 -11.968 + 91.463 75.107 139.275 -33.743 + 90.825 46.067 127.731 119.088 + 89.871 47.940 141.842 -90.870 + 89.420 44.375 119.908-126.095 + 90.141 47.622 152.347 -5.605 + 91.057 43.515 134.182-179.675 + 92.754 65.275 136.525-132.690 + 91.983 -57.622 120.357 -83.074 + 116.986 -64.834 180.000 180.000 + 118.216 -56.979 180.000 180.000 + 92.650 70.453 102.716 -98.620 + 92.953 106.634 112.943 -77.126 + 127.054 -71.575 120.880 -87.290 + 94.697 77.154 180.000 180.000 + 124.314 -63.392 154.551-126.188 + 120.196-111.328 107.693-112.043 + 120.626-137.424 111.937-111.051 + 117.729-118.763 123.288-129.296 + 121.882 0.000 121.591 -81.032 + # 126 total E -8.93115E+01 rmsd from N 2.922 %NC 0.60 1 + 93.865 103.380 146.414 -10.866 + 91.437 71.996 136.795 -38.528 + 91.538 45.238 127.228 120.223 + 90.563 46.662 145.077 -95.539 + 89.594 45.250 122.293-112.308 + 90.700 51.452 157.456 -6.911 + 90.573 44.067 137.106-163.455 + 91.811 74.515 106.451-101.168 + 90.578 -64.408 127.863-141.816 + 105.295 -66.810 180.000 180.000 + 98.518 -29.322 180.000 180.000 + 93.349 105.834 112.420-101.835 + 93.781 92.694 114.747 -76.938 + 123.805 -84.768 119.143 -78.190 + 94.845 87.796 180.000 180.000 + 131.947 -64.335 137.997-123.355 + 119.346-109.879 108.868-114.587 + 120.719-136.813 110.731-109.633 + 118.034-118.705 121.406-127.197 + 121.890 0.000 121.557 -81.067 + # 127 total E -8.73644E+01 rmsd from N 2.465 %NC 0.60 1 + 93.890 117.112 145.341 -12.467 + 91.271 86.561 127.997 -2.493 + 90.451 49.898 137.868 112.504 + 90.139 48.837 146.161 -92.963 + 89.640 44.589 126.169-139.461 + 90.071 48.691 140.865 -15.330 + 90.850 46.567 140.855-146.533 + 92.365 68.386 136.934-132.276 + 91.545 -56.652 113.721 -80.044 + 114.078 -72.400 180.000 180.000 + 117.127 -41.843 180.000 180.000 + 92.499 79.872 139.995-168.409 + 91.887 112.368 112.822 -76.862 + 112.837 -81.590 122.083-136.977 + 94.675 74.878 180.000 180.000 + 127.754 -81.594 118.791-134.082 + 120.191-113.975 114.617-118.994 + 119.252-116.412 110.944-111.470 + 117.896-118.713 120.861-126.384 + 121.887 0.000 121.565 -81.064 + # 128 total E -8.71636E+01 rmsd from N 2.108 %NC 0.53 1 + 93.863 118.458 147.138 -12.654 + 91.347 86.621 130.120 -6.501 + 90.110 50.579 91.235 -87.206 + 89.692 44.172 148.135 -97.140 + 89.679 44.844 123.963-133.212 + 90.209 49.202 155.450 24.469 + 90.368 45.635 128.205-161.901 + 92.034 77.509 134.626-132.608 + 90.273 -60.683 135.506-132.603 + 103.323 -67.820 180.000 180.000 + 98.730 -32.277 180.000 180.000 + 92.836 103.305 139.164-168.002 + 93.691 115.213 114.098 -78.201 + 114.544 -92.860 123.393-147.867 + 95.110 69.108 180.000 180.000 + 128.814 -75.957 109.142 -50.467 + 116.318-101.396 131.338-142.228 + 120.541-136.491 108.821-107.522 + 118.295-118.120 118.319-122.852 + 121.831 0.000 121.404 -81.037 + # 129 total E -8.73606E+01 rmsd from N 2.807 %NC 0.67 1 + 93.968 124.155 142.887 -5.450 + 91.532 88.586 137.488 -16.656 + 91.116 44.813 133.184 115.023 + 90.541 45.959 148.388 -98.176 + 89.833 46.784 124.955-123.906 + 90.530 52.087 151.298 -11.838 + 90.511 40.190 138.063-142.956 + 92.197 72.974 105.622-100.736 + 91.752 -65.560 134.892-123.262 + 113.622 -50.417 180.000 180.000 + 121.225 -55.954 180.000 180.000 + 93.932 72.134 137.781-161.566 + 92.188 121.546 123.047 136.329 + 93.810 -65.479 123.135-153.291 + 95.438 75.367 180.000 180.000 + 129.067 -85.451 141.608 -40.115 + 120.862-107.919 113.950-115.659 + 119.643-132.244 117.539-120.224 + 118.928-118.451 114.577-116.525 + 121.853 0.000 121.466 -81.043 + # 130 total E -8.71799E+01 rmsd from N 2.602 %NC 0.47 1 + 93.937 124.318 144.714 -5.999 + 91.534 89.349 135.640 -21.276 + 91.402 44.676 127.386 103.211 + 90.142 46.191 142.627 -90.630 + 89.682 45.556 120.442-129.106 + 90.065 48.405 156.790 16.597 + 90.578 43.932 143.723 179.111 + 91.899 72.276 134.626-131.871 + 90.759 -63.042 132.183-131.113 + 108.487 -69.388 180.000 180.000 + 101.149 -27.725 180.000 180.000 + 92.816 99.454 138.367-165.499 + 93.531 117.242 114.981 -78.843 + 120.062 -84.051 129.122-165.932 + 95.353 66.358 180.000 180.000 + 123.378 -88.385 110.862 -58.382 + 118.335-108.736 121.345-128.411 + 118.734-137.757 108.521-108.264 + 117.298-118.780 126.016-133.861 + 121.840 0.000 121.639 -80.924 + # 131 total E -8.70445E+01 rmsd from N 2.358 %NC 0.53 1 + 93.850 120.803 148.594 -10.658 + 91.432 82.532 126.433 -31.669 + 91.731 44.080 90.800 -82.477 + 91.002 44.804 147.456-100.492 + 89.892 42.357 119.117-115.970 + 90.908 54.174 160.440 -8.672 + 90.461 41.135 129.979-169.712 + 91.518 68.653 103.488-100.279 + 91.533 -65.199 131.758-127.513 + 114.359 -50.515 180.000 180.000 + 118.381 -65.470 180.000 180.000 + 93.338 64.386 108.430-105.180 + 93.313 127.893 112.951 123.453 + 114.805 -77.059 123.194-136.038 + 93.901 72.374 180.000 180.000 + 124.972 -64.603 133.176 -80.536 + 119.484-106.739 110.642-114.727 + 118.980-137.672 112.958-113.678 + 117.380-118.383 125.816-133.387 + 121.824 0.000 121.509 -80.966 + # 132 total E -8.74360E+01 rmsd from N 2.156 %NC 0.67 1 + 112.334 157.367 151.386 -38.655 + 91.974 82.765 129.892 -22.916 + 91.721 42.395 102.357 -84.774 + 90.985 44.766 150.934 -95.458 + 90.616 42.791 117.061-123.319 + 91.478 48.245 149.693 38.087 + 91.046 43.884 132.324-144.727 + 92.193 72.346 137.997-132.369 + 91.287 -67.073 133.938-131.794 + 112.438 -58.944 180.000 180.000 + 114.651 -62.849 180.000 180.000 + 93.383 66.625 139.714-168.135 + 93.574 113.402 109.071 61.027 + 119.174 -81.615 118.432 -83.956 + 94.525 71.535 180.000 180.000 + 124.980 -75.339 139.494 -57.138 + 119.852-111.417 109.024-111.448 + 119.780-136.765 112.887-113.689 + 117.846-118.300 122.869-128.711 + 121.845 0.000 121.454 -81.036 + # 133 total E -8.72632E+01 rmsd from N 2.115 %NC 0.67 1 + 93.853 114.897 146.933 -12.051 + 91.533 81.466 137.926 -28.297 + 91.339 44.581 125.179 115.365 + 90.334 44.625 145.385 -93.004 + 90.034 45.554 119.379-121.812 + 90.693 45.543 165.386 21.308 + 91.456 45.387 140.715-146.431 + 93.030 62.795 137.916-132.629 + 92.178 -66.630 118.295 -79.582 + 114.642 -57.764 180.000 180.000 + 118.900 -54.069 180.000 180.000 + 92.650 72.101 132.240-157.855 + 92.396 128.672 113.574 -76.974 + 120.305 -77.525 129.129-145.029 + 94.565 66.513 180.000 180.000 + 123.109 -89.429 120.757-103.542 + 119.640-109.313 119.197-125.781 + 118.564-137.411 108.985-109.190 + 117.454-118.777 125.353-132.271 + 121.848 0.000 121.631 -80.956 + # 134 total E -8.71219E+01 rmsd from N 2.600 %NC 0.67 1 + 93.851 106.705 146.402 -10.552 + 91.435 74.073 138.381 -37.077 + 91.360 44.506 126.829 121.111 + 90.584 48.220 146.647 -96.787 + 89.964 43.352 124.384-113.155 + 91.305 50.240 150.333 -13.256 + 90.958 41.282 137.917-148.180 + 92.156 72.367 104.630 -95.142 + 91.840 -68.222 133.028-127.117 + 115.370 -47.472 180.000 180.000 + 122.154 -55.807 180.000 180.000 + 93.892 68.177 138.330-163.429 + 92.642 125.536 123.367 132.697 + 96.729 -72.054 121.837-146.633 + 94.777 76.609 180.000 180.000 + 126.951 -79.802 129.309-125.188 + 120.217-112.616 112.563-116.681 + 119.148-117.215 117.238-119.723 + 118.020-118.637 119.840-124.141 + 121.837 0.000 121.533 -81.055 + # 135 total E -8.70853E+01 rmsd from N 2.759 %NC 0.60 1 + 93.853 97.206 146.703 -13.191 + 91.407 69.741 138.651 -45.623 + 91.509 47.805 168.106 13.737 + 89.737 47.339 141.584 -88.909 + 89.199 46.396 115.869-124.692 + 89.885 59.565 146.422 -92.821 + 90.054 39.852 149.210-178.033 + 91.882 68.821 105.149-107.359 + 91.633 -65.091 132.505-138.168 + 107.789 -63.331 180.000 180.000 + 101.052 -32.877 180.000 180.000 + 92.536 103.385 140.069-169.598 + 93.658 110.528 111.424 -77.486 + 129.118 -85.737 121.444 -82.274 + 95.156 84.215 180.000 180.000 + 128.709 -71.211 128.744-119.858 + 119.153-108.151 114.108-120.117 + 119.141-137.702 107.755-107.217 + 117.665-118.746 124.640-133.087 + 121.862 0.000 121.604 -80.986 + # 136 total E -8.77135E+01 rmsd from N 2.059 %NC 0.53 1 + 93.906 123.143 146.339 -7.918 + 91.360 86.372 129.391 -18.890 + 90.979 45.182 96.370 -87.489 + 90.181 45.188 148.575 -95.246 + 90.364 43.106 120.577-125.976 + 91.212 48.300 149.524 38.568 + 90.778 40.648 129.930-154.421 + 92.129 69.424 135.842-133.214 + 90.932 -64.975 133.374-125.416 + 111.921 -74.130 180.000 180.000 + 118.356 -65.527 180.000 180.000 + 92.559 65.669 139.132-168.745 + 92.074 100.140 113.364 -76.245 + 130.191 -86.932 114.278 -90.322 + 95.072 77.452 180.000 180.000 + 122.494 -77.541 113.605-133.722 + 119.443-113.238 109.411-112.428 + 119.499-138.379 111.273-111.671 + 117.183-118.256 127.193-135.377 + 121.746 0.000 121.544 -80.952 + # 137 total E -8.82134E+01 rmsd from N 2.578 %NC 0.60 1 + 93.896 117.353 144.997 -12.397 + 91.282 87.780 127.317 3.133 + 90.443 52.431 138.148 111.555 + 90.138 47.673 146.374 -93.349 + 89.452 44.599 127.773-144.987 + 89.711 51.517 144.589 -10.998 + 90.272 46.309 143.094-154.208 + 91.482 75.951 133.345-132.514 + 90.495 -56.584 129.903-139.838 + 107.626 -70.399 180.000 180.000 + 101.132 -28.330 180.000 180.000 + 92.639 101.037 139.423-167.696 + 93.073 106.764 113.689 -77.657 + 115.660 -89.452 128.090-143.133 + 94.897 80.652 180.000 180.000 + 128.307 -79.772 114.312-133.791 + 119.750-114.857 113.896-118.289 + 119.187-116.352 110.256-110.695 + 117.830-118.736 121.505-127.566 + 121.887 0.000 121.568 -81.055 + # 138 total E -8.81956E+01 rmsd from N 2.306 %NC 0.47 1 + 117.693 -96.953 147.343 -31.091 + 91.637 77.409 130.244 -27.837 + 91.882 43.466 96.323 -82.597 + 91.106 43.698 147.872-100.182 + 90.003 43.085 119.745-112.209 + 90.912 52.710 164.558 9.726 + 90.428 45.788 131.828-165.797 + 91.613 74.442 107.639-103.054 + 90.417 -65.070 130.001-137.699 + 103.339 -66.313 180.000 180.000 + 98.754 -31.907 180.000 180.000 + 92.861 104.282 139.914-168.567 + 94.439 102.826 113.480 -77.145 + 122.516 -95.032 120.217 -77.424 + 94.789 80.824 180.000 180.000 + 130.834 -69.482 128.856 -95.254 + 118.865-107.565 110.521-115.086 + 118.561-138.960 110.369-111.255 + 117.289-118.162 126.640-135.682 + 121.777 0.000 121.474 -80.892 + # 139 total E -8.74817E+01 rmsd from N 3.063 %NC 0.47 1 + 93.710 36.648 108.294 -80.514 + 91.646 73.244 136.001 -40.310 + 91.822 43.633 128.973 120.828 + 91.005 48.743 143.112 -93.929 + 89.606 41.927 126.664-102.864 + 90.574 53.727 153.781 -25.358 + 90.482 42.194 134.251 172.628 + 91.479 70.812 103.467 -98.634 + 91.373 -63.344 131.469-132.681 + 112.526 -57.132 180.000 180.000 + 111.767 -51.240 180.000 180.000 + 93.204 85.104 102.293 -64.460 + 94.034 103.476 112.846 -76.694 + 119.767 -68.402 122.195 -81.477 + 94.789 82.086 180.000 180.000 + 127.431 -66.164 142.721-142.551 + 120.309-112.899 107.865-112.789 + 120.706-138.158 110.036-108.664 + 117.494-118.786 124.514-131.491 + 121.866 0.000 121.615 -80.987 + # 140 total E -8.75923E+01 rmsd from N 2.434 %NC 0.73 1 + 93.869 106.315 146.389 -10.134 + 91.384 72.233 136.696 -42.349 + 92.148 41.584 128.360 120.371 + 91.098 48.930 144.532 -94.408 + 89.953 41.053 120.683-120.389 + 91.019 58.545 161.546 -84.237 + 90.349 38.132 141.698-173.832 + 91.929 68.703 102.066-101.591 + 91.569 -63.358 130.691-136.285 + 109.437 -66.218 180.000 180.000 + 102.589 -30.155 180.000 180.000 + 92.671 99.832 132.873-158.539 + 93.309 116.974 112.315 -78.794 + 124.581 -93.974 132.342-156.754 + 95.963 80.990 180.000 180.000 + 131.642 -85.496 123.476-117.845 + 119.763-111.185 114.551-120.107 + 118.758-139.920 108.604-108.328 + 116.656-118.567 130.998-141.657 + 121.745 0.000 121.644 -80.735 + # 141 total E -8.72138E+01 rmsd from N 3.012 %NC 0.67 1 + 115.629 172.461 151.993 -12.993 + 91.663 75.135 135.429 -43.847 + 91.929 45.489 126.171 120.537 + 90.778 46.079 146.988 -96.713 + 89.743 46.247 122.860-106.972 + 90.874 48.997 159.635 -3.236 + 90.927 49.181 136.251-151.413 + 92.445 73.762 110.846-102.971 + 91.477 -67.997 96.489 -72.686 + 108.913 -52.597 180.000 180.000 + 92.690 -35.960 180.000 180.000 + 96.032 136.575 109.191 -92.881 + 92.730 88.315 112.817 -76.891 + 135.704 -90.821 118.191 -82.419 + 94.340 88.259 180.000 180.000 + 127.568 -61.470 133.211-108.630 + 118.761-110.334 108.678-114.678 + 121.262-137.157 111.737-110.716 + 118.069-118.579 121.215-126.445 + 121.885 0.000 121.514 -81.080 + # 142 total E -8.70718E+01 rmsd from N 2.564 %NC 0.53 1 + 115.118 169.690 152.766 -15.512 + 91.580 75.576 139.475 -47.092 + 91.035 50.174 116.567 -65.432 + 90.423 50.093 151.069 -90.539 + 89.756 42.367 120.935-122.841 + 90.486 56.624 127.929 -92.646 + 90.018 40.222 132.569-164.456 + 92.407 66.470 130.303-136.557 + 91.502 -63.364 141.319-137.970 + 109.595 -65.618 180.000 180.000 + 100.785 -29.729 180.000 180.000 + 92.711 104.289 143.997-174.389 + 92.672 99.930 113.178 -77.018 + 123.546 -88.310 117.964 -84.139 + 95.687 82.836 180.000 180.000 + 132.360 -79.769 126.024-118.235 + 119.756-108.005 118.328-125.632 + 119.370-136.262 106.910-106.305 + 118.129-118.700 121.006-125.477 + 121.899 0.000 121.544 -81.091 + # 143 total E -8.74516E+01 rmsd from N 2.200 %NC 0.53 1 + 93.986 127.464 143.257 -0.094 + 91.420 89.099 136.672 -21.732 + 91.027 44.734 119.007 107.072 + 89.989 47.105 146.859 -90.814 + 90.113 46.227 121.254-130.548 + 90.303 49.451 147.594 38.256 + 90.356 42.649 138.685-148.716 + 92.204 71.152 134.033-135.260 + 91.074 -66.933 138.395-120.922 + 110.142 -66.100 180.000 180.000 + 120.247 -62.159 180.000 180.000 + 92.798 72.742 138.350-166.447 + 92.045 99.235 113.665 -76.842 + 107.582 -82.688 123.178-135.367 + 96.166 86.739 180.000 180.000 + 132.917 -64.386 160.350-118.050 + 122.326-139.774 104.801-105.703 + 119.455-111.951 113.896-115.089 + 116.984-118.535 129.785-138.687 + 121.773 0.000 121.598 -80.818 + # 144 total E -8.69618E+01 rmsd from N 2.594 %NC 0.60 1 + 114.894 171.101 154.538 -15.397 + 91.713 74.771 136.998 -48.166 + 91.157 50.044 121.083 114.934 + 89.627 45.875 146.183 -89.548 + 89.855 44.028 119.359-118.801 + 90.272 51.915 158.753 41.971 + 90.262 42.489 139.009-164.569 + 91.877 70.656 132.681-133.872 + 90.782 -63.031 134.568-130.122 + 107.544 -67.702 180.000 180.000 + 102.007 -33.062 180.000 180.000 + 92.409 99.000 140.471-169.598 + 93.568 91.548 111.800 -78.902 + 119.156 -84.848 138.603-165.043 + 96.623 91.098 180.000 180.000 + 128.313 -81.817 146.163-130.491 + 121.594-115.339 109.411-112.815 + 119.249-135.945 112.575-113.467 + 118.256-118.653 120.287-123.199 + 121.885 0.000 121.537 -81.068 + # 145 total E -8.77030E+01 rmsd from N 2.804 %NC 0.53 1 + 93.885 114.394 145.275 -13.029 + 91.286 85.666 130.565 -3.299 + 91.302 43.321 140.530 114.800 + 90.241 52.764 139.597 -88.889 + 89.343 45.355 123.260-140.347 + 89.408 53.782 131.979 -29.859 + 89.780 47.066 145.559-175.999 + 91.211 79.342 89.429 -68.828 + 90.096 -59.254 137.899-125.489 + 105.353 -70.919 180.000 180.000 + 99.640 -24.782 180.000 180.000 + 93.427 105.855 133.481-157.510 + 92.957 102.072 116.580 -75.749 + 109.905 -85.261 116.763 -77.725 + 95.279 87.410 180.000 180.000 + 136.851 -71.329 145.313 -62.685 + 120.399-106.727 106.370-108.092 + 116.796-138.986 107.820-108.904 + 117.396-118.635 126.542-136.831 + 121.812 0.000 121.614 -80.884 + # 146 total E -8.69808E+01 rmsd from N 2.369 %NC 0.53 1 + 93.950 126.748 144.562 -1.734 + 91.441 87.155 136.734 -26.027 + 91.317 44.413 119.121 108.243 + 90.394 46.265 148.528 -91.782 + 90.311 45.665 119.879-126.369 + 90.755 49.790 149.135 35.031 + 90.504 42.237 139.453-139.259 + 92.304 71.543 133.966-135.535 + 91.671 -71.105 138.560-118.390 + 113.548 -48.495 180.000 180.000 + 121.607 -69.072 180.000 180.000 + 94.391 61.750 136.513-160.640 + 92.951 111.832 126.104 138.757 + 93.639 -72.516 119.580-144.822 + 96.052 83.956 180.000 180.000 + 134.365 -67.407 154.244-135.666 + 121.966-134.194 103.929-105.099 + 118.822-112.097 121.460-124.880 + 116.901-118.539 129.976-137.735 + 121.774 0.000 121.589 -80.814 + # 147 total E -8.71625E+01 rmsd from N 2.188 %NC 0.67 1 + 93.866 116.502 146.823 -11.753 + 91.532 81.776 137.462 -28.415 + 91.474 44.390 125.185 114.462 + 90.453 44.268 146.091 -93.155 + 90.125 45.968 118.684-121.502 + 90.846 45.175 163.308 22.744 + 91.513 45.917 140.514-139.931 + 93.047 62.608 138.262-132.495 + 92.496 -69.293 116.611 -77.059 + 116.514 -47.222 180.000 180.000 + 122.354 -60.636 180.000 180.000 + 93.467 63.826 130.839-154.904 + 92.719 132.729 122.643 124.265 + 116.368 -70.534 127.626-147.873 + 94.292 65.794 180.000 180.000 + 120.992 -91.068 121.569-103.786 + 119.895-109.314 117.882-123.630 + 118.587-136.985 111.293-112.065 + 117.620-118.816 124.173-130.070 + 121.865 0.000 121.605 -80.991 + # 148 total E -9.08499E+01 rmsd from N 2.314 %NC 0.53 1 + 93.858 122.306 148.578 -9.163 + 91.452 83.383 127.963 -32.560 + 91.866 44.199 92.897 -82.730 + 91.054 43.890 147.681 -99.627 + 90.004 42.858 119.518-113.433 + 90.967 52.560 164.375 11.029 + 90.464 46.084 131.713-166.438 + 91.612 74.444 108.128-102.980 + 90.421 -65.216 129.804-137.876 + 103.302 -66.277 180.000 180.000 + 98.756 -31.879 180.000 180.000 + 92.857 104.220 139.920-168.548 + 94.389 102.548 113.483 -77.138 + 122.742 -95.192 119.894 -77.613 + 94.722 81.052 180.000 180.000 + 130.863 -69.066 129.411 -94.929 + 118.976-107.777 109.605-113.853 + 118.423-139.260 110.483-111.530 + 117.211-118.164 127.215-136.631 + 121.733 0.000 121.458 -80.863 + # 149 total E -8.80708E+01 rmsd from N 2.124 %NC 0.60 1 + 93.867 121.195 147.939 -9.724 + 91.396 84.225 125.144 -27.051 + 91.264 45.474 92.125 -84.640 + 90.799 43.787 148.243 -98.854 + 90.164 43.820 121.828-112.704 + 90.319 52.744 159.020 27.829 + 90.143 50.444 129.840-166.779 + 91.269 73.680 113.946-109.002 + 90.289 -67.980 136.741-125.735 + 102.312 -69.101 180.000 180.000 + 105.040 -40.620 180.000 180.000 + 92.532 95.620 141.569-171.511 + 92.712 96.913 109.680 -77.141 + 137.156 -93.594 117.235 -87.016 + 93.778 83.043 180.000 180.000 + 124.424 -78.111 155.478 -38.263 + 118.388-109.821 111.286-115.885 + 117.925-136.571 111.141-112.216 + 116.414-118.371 128.649-138.552 + 121.755 0.000 121.523 -80.850 + # 150 total E -8.93945E+01 rmsd from N 2.316 %NC 0.53 1 + 116.591-179.751 115.248 -82.102 + 91.571 84.005 127.967 -33.284 + 92.064 43.771 93.145 -82.736 + 91.062 44.125 148.576 -99.426 + 89.980 42.741 119.529-113.418 + 90.938 52.606 164.299 11.135 + 90.464 46.084 131.695-166.044 + 91.613 74.507 108.128-102.943 + 90.411 -65.164 129.842-137.911 + 103.267 -66.256 180.000 180.000 + 98.738 -31.928 180.000 180.000 + 92.856 104.211 139.901-168.547 + 94.395 102.601 113.459 -77.142 + 122.757 -95.165 119.888 -77.599 + 94.722 80.995 180.000 180.000 + 130.808 -69.140 129.382 -94.837 + 118.978-107.783 109.683-113.948 + 118.442-139.225 110.480-111.509 + 117.220-118.170 127.140-136.500 + 121.769 0.000 121.485 -80.871 + # 151 total E -8.93604E+01 rmsd from N 2.296 %NC 0.53 1 + 111.878 157.754 153.061 -40.145 + 92.092 81.665 132.332 -29.787 + 92.061 42.079 100.591 -80.682 + 91.224 44.192 149.426 -95.404 + 90.136 42.442 117.546-118.700 + 90.841 50.352 163.754 29.867 + 90.653 46.275 132.129-162.068 + 92.028 75.076 135.808-130.318 + 90.388 -64.590 131.110-137.310 + 102.602 -65.555 180.000 180.000 + 98.427 -33.119 180.000 180.000 + 92.820 104.281 139.784-168.806 + 94.511 103.141 113.036 -77.262 + 123.219 -95.587 119.279 -77.358 + 94.700 79.904 180.000 180.000 + 129.776 -69.899 128.584 -91.623 + 119.021-108.731 110.021-114.274 + 119.008-138.606 110.742-111.532 + 117.358-118.181 125.908-133.864 + 121.792 0.000 121.467 -80.926 + # 152 total E -8.94619E+01 rmsd from N 2.307 %NC 0.60 1 + 111.718 157.860 153.759 -40.251 + 92.118 81.438 132.011 -31.461 + 92.247 41.960 100.273 -79.816 + 91.389 44.432 149.514 -99.754 + 90.070 42.236 120.043-112.341 + 90.999 52.877 164.760 12.678 + 90.483 45.934 131.912-164.493 + 91.646 74.657 107.766-102.616 + 90.414 -65.028 129.791-138.396 + 103.081 -65.986 180.000 180.000 + 98.638 -32.174 180.000 180.000 + 92.853 104.290 139.855-168.602 + 94.460 103.039 113.418 -77.164 + 122.623 -95.119 120.132 -77.441 + 94.774 80.517 180.000 180.000 + 130.580 -69.688 128.640 -94.632 + 118.868-107.814 110.733-115.346 + 118.752-138.773 110.428-111.215 + 117.332-118.170 126.241-134.856 + 121.784 0.000 121.471 -80.908 + # 153 total E -8.74327E+01 rmsd from N 3.052 %NC 0.53 1 + 115.737 172.043 151.307 -12.842 + 91.644 75.977 135.266 -42.323 + 91.976 43.326 128.621 120.926 + 91.063 48.962 143.892 -93.411 + 89.615 41.634 126.625-103.477 + 90.586 53.917 153.549 -25.831 + 90.488 42.321 134.404 172.983 + 91.460 70.751 103.508 -98.653 + 91.373 -63.398 131.416-132.613 + 112.593 -56.939 180.000 180.000 + 111.957 -51.542 180.000 180.000 + 93.196 84.723 102.230 -64.350 + 94.000 103.791 112.902 -76.675 + 119.422 -68.392 121.968 -81.438 + 94.757 82.137 180.000 180.000 + 127.560 -66.143 142.723-142.640 + 120.307-112.947 107.777-112.659 + 120.725-138.095 110.090-108.736 + 117.514-118.783 124.375-131.235 + 121.867 0.000 121.613 -80.992 + # 154 total E -8.79500E+01 rmsd from N 2.352 %NC 0.53 1 + 93.707 40.221 108.986 -81.021 + 91.900 81.100 134.933 -26.802 + 93.628 36.237 176.435-178.357 + 92.178 49.549 140.953 -99.435 + 90.479 40.186 114.620-123.186 + 91.262 51.755 164.289 19.565 + 90.589 45.374 134.349-174.023 + 91.809 75.551 110.048 -99.622 + 90.266 -65.704 130.422-138.309 + 102.890 -66.463 180.000 180.000 + 98.194 -31.433 180.000 180.000 + 93.019 104.651 139.264-167.302 + 94.415 102.075 114.131 -76.988 + 122.932 -95.433 119.730 -77.540 + 94.695 80.892 180.000 180.000 + 130.643 -68.466 129.401 -93.293 + 118.891-107.341 109.405-113.643 + 118.326-141.234 110.655-111.812 + 118.303-108.802 127.125-135.723 + 120.752 0.000 119.082 -80.250 + # 155 total E -8.69704E+01 rmsd from N 3.110 %NC 0.60 1 + 119.120-114.925 110.152 -82.775 + 91.634 70.315 136.357 -41.484 + 91.943 43.305 128.072 121.678 + 91.087 49.295 143.553 -94.250 + 89.737 41.424 125.869-105.551 + 90.856 52.892 152.524 -26.075 + 90.667 41.192 134.872 178.198 + 91.721 69.810 103.021 -96.360 + 91.763 -65.426 132.906-124.973 + 115.853 -46.118 180.000 180.000 + 118.997 -58.729 180.000 180.000 + 93.548 72.202 104.085 -75.355 + 93.071 116.797 126.500 123.944 + 110.364 -65.731 127.177-135.057 + 94.143 79.670 180.000 180.000 + 125.694 -66.997 139.967-141.494 + 120.859-112.146 109.292-114.445 + 120.228-138.088 111.091-110.317 + 117.445-118.799 124.453-130.745 + 121.869 0.000 121.618 -80.991 + # 156 total E -8.70639E+01 rmsd from N 3.011 %NC 0.47 1 + 93.833 93.823 147.487 -15.037 + 91.580 76.421 139.341 -33.710 + 91.330 47.189 176.413 179.386 + 89.271 51.918 132.158 -84.336 + 89.036 48.953 117.307-133.484 + 88.999 58.883 114.962 -50.743 + 89.535 47.138 156.800-179.507 + 91.124 73.927 89.573 -72.635 + 90.816 -58.587 142.566-130.552 + 109.806 -72.337 180.000 180.000 + 102.287 -25.098 180.000 180.000 + 92.934 103.187 138.258-165.088 + 92.363 88.235 113.852 -76.637 + 118.604 -85.920 118.549 -84.839 + 95.928 96.729 180.000 180.000 + 133.879 -77.258 131.164-146.390 + 120.652-109.829 108.714-111.816 + 118.101-140.106 107.572-107.547 + 116.971-118.686 129.436-140.756 + 121.792 0.000 121.648 -80.826 + # 157 total E -8.80022E+01 rmsd from N 3.477 %NC 0.53 1 + 93.937 119.691 143.225 -10.165 + 91.621 88.350 139.028 -14.608 + 91.291 42.135 144.043 110.516 + 90.836 48.406 141.589 -90.469 + 89.589 44.519 119.753-132.692 + 89.470 60.969 140.030 -34.082 + 89.881 42.528 141.308 170.054 + 91.107 73.364 92.083 -77.624 + 91.325 -53.752 135.633-133.903 + 111.721 -67.357 180.000 180.000 + 102.039 -31.396 180.000 180.000 + 92.639 100.730 109.504 -89.182 + 93.289 102.421 112.343 -79.453 + 119.640 -73.808 130.597-154.686 + 95.384 82.989 180.000 180.000 + 127.288 -71.401 151.714 -27.536 + 119.815-110.018 107.148-107.617 + 119.846-137.783 108.926-108.448 + 117.592-118.816 124.015-132.192 + 121.864 0.000 121.629 -80.976 + # 158 total E -8.69332E+01 rmsd from N 2.337 %NC 0.60 1 + 111.900 158.341 153.935 -38.894 + 92.093 80.934 131.382 -31.965 + 92.428 41.546 100.881 -79.697 + 91.499 44.255 150.202-100.588 + 90.166 42.805 119.824-111.191 + 91.239 52.081 163.421 14.631 + 90.609 45.296 132.044-158.124 + 91.750 73.955 107.208-101.236 + 90.476 -66.630 129.000-138.185 + 103.695 -65.571 180.000 180.000 + 98.434 -31.179 180.000 180.000 + 92.960 104.821 108.320-102.024 + 94.361 101.422 113.951 -77.387 + 119.278 -93.338 119.013 -77.645 + 94.690 79.938 180.000 180.000 + 131.688 -70.588 126.311 -97.004 + 119.048-107.451 110.095-114.474 + 118.308-138.161 111.616-112.473 + 117.354-118.211 126.292-134.597 + 121.832 0.000 121.507 -80.932 + # 159 total E -8.74478E+01 rmsd from N 1.830 %NC 0.67 1 + 93.899 124.675 144.826 -5.413 + 91.506 87.723 137.347 -22.893 + 91.124 45.046 124.144 110.515 + 89.931 45.682 146.470 -91.324 + 90.042 45.249 121.413-127.413 + 90.360 47.546 160.538 35.125 + 90.780 43.505 141.566-147.085 + 92.105 70.492 136.213-134.053 + 90.759 -67.859 135.391-117.752 + 109.090 -61.040 180.000 180.000 + 113.882 -55.805 180.000 180.000 + 92.464 75.426 131.966-157.923 + 92.869 133.266 113.183 -76.863 + 113.612 -78.547 126.507-139.799 + 94.173 63.698 180.000 180.000 + 124.577 -86.832 111.440 -92.685 + 119.173-107.678 120.627-127.820 + 118.340-135.721 109.791-110.491 + 118.223-118.721 120.317-124.955 + 121.885 0.000 121.566 -81.052 + # 160 total E -8.77191E+01 rmsd from N 2.117 %NC 0.67 1 + 93.856 110.200 147.030 -11.766 + 91.533 78.967 136.775 -29.839 + 91.828 43.969 126.447 113.917 + 90.664 44.413 142.993 -94.068 + 89.907 44.755 119.532-116.531 + 90.514 51.304 167.354 10.837 + 90.576 43.728 142.737-175.552 + 91.727 71.985 108.042-101.696 + 90.879 -65.556 130.365-134.639 + 105.795 -65.587 180.000 180.000 + 100.705 -31.152 180.000 180.000 + 92.573 100.195 132.830-158.483 + 93.656 121.595 112.984 -78.535 + 118.247 -90.263 125.496-152.102 + 95.058 70.519 180.000 180.000 + 129.942 -85.753 109.843-107.513 + 118.753-107.346 120.692-128.425 + 118.249-137.662 108.058-108.118 + 117.446-118.769 125.418-132.866 + 121.849 0.000 121.628 -80.947 + # 161 total E -8.89318E+01 rmsd from N 2.366 %NC 0.60 1 + 116.604-179.671 115.196 -82.068 + 91.553 83.708 127.470 -34.415 + 92.175 43.347 93.421 -82.726 + 91.114 44.390 148.539 -99.525 + 90.023 42.335 119.008-114.194 + 90.998 52.758 165.152 9.663 + 90.464 44.829 131.982-165.741 + 91.589 73.372 107.240-101.898 + 90.525 -64.463 130.765-136.123 + 104.731 -66.855 180.000 180.000 + 99.499 -31.860 180.000 180.000 + 92.741 102.003 139.931-168.449 + 93.367 107.266 113.172 -77.933 + 121.546 -96.955 123.163-134.469 + 94.405 77.757 180.000 180.000 + 129.761 -67.727 125.832 -97.225 + 118.847-107.131 110.123-114.600 + 118.384-138.821 110.249-111.227 + 117.414-118.228 125.864-134.899 + 121.787 0.000 121.488 -80.906 + # 162 total E -8.78644E+01 rmsd from N 2.120 %NC 0.60 1 + 112.623 156.786 149.934 -38.381 + 91.986 86.265 134.229 -18.220 + 90.905 45.154 104.341 -85.990 + 89.981 43.977 148.936 -98.039 + 90.977 43.882 122.207-125.317 + 91.475 44.533 140.509 80.262 + 91.523 44.555 129.752-143.340 + 93.092 74.316 140.528-133.312 + 90.921 -68.158 141.910-138.990 + 105.924 -59.097 180.000 180.000 + 108.159 -62.261 180.000 180.000 + 92.668 77.517 136.853-165.045 + 93.416 101.951 113.092 -76.538 + 122.240 -84.514 124.003 -83.847 + 96.463 78.876 180.000 180.000 + 121.766 -79.031 145.238 -37.748 + 120.327-113.243 110.993-113.101 + 120.283-136.347 110.745-110.604 + 118.093-118.367 121.431-126.200 + 121.865 0.000 121.455 -81.074 + # 163 total E -8.74956E+01 rmsd from N 2.347 %NC 0.53 1 + 116.714 169.623 145.070 -11.699 + 91.486 81.207 133.724 -26.247 + 93.438 36.834 176.439 178.943 + 91.925 49.094 141.035 -96.153 + 90.432 40.795 113.383-125.535 + 91.073 50.012 163.208 29.899 + 90.736 45.536 134.708-172.072 + 92.120 75.893 136.667-128.775 + 90.193 -65.106 131.604-136.882 + 102.585 -66.433 180.000 180.000 + 98.007 -32.006 180.000 180.000 + 92.991 104.652 139.314-167.747 + 94.459 102.102 114.009 -76.906 + 123.287 -95.839 119.093 -77.593 + 94.640 80.663 180.000 180.000 + 130.011 -68.704 129.387 -91.367 + 118.971-107.946 108.882-112.900 + 118.472-141.211 110.860-111.981 + 118.367-108.329 126.999-135.212 + 120.774 0.000 118.868 -80.428 + # 164 total E -8.83694E+01 rmsd from N 3.077 %NC 0.53 1 + 93.866 102.020 146.328 -10.831 + 91.454 71.725 135.519 -38.954 + 91.705 43.720 129.748 120.409 + 90.944 48.589 142.615 -92.589 + 89.566 42.281 123.728-111.906 + 90.526 53.891 153.689 -25.328 + 90.439 42.275 134.381 172.314 + 91.488 71.152 104.336 -99.350 + 91.322 -63.131 131.334-133.755 + 112.059 -58.011 180.000 180.000 + 110.860 -49.780 180.000 180.000 + 93.202 86.894 102.630 -65.120 + 94.123 102.639 112.559 -76.784 + 120.334 -69.087 122.271 -81.242 + 94.793 82.517 180.000 180.000 + 127.622 -65.866 141.978-142.457 + 120.296-113.020 107.818-112.794 + 120.723-138.203 109.994-108.579 + 117.489-118.789 124.582-131.634 + 121.865 0.000 121.616 -80.984 + # 165 total E -8.74963E+01 rmsd from N 2.349 %NC 0.53 1 + 116.841 169.888 144.926 -10.246 + 91.437 80.750 133.865 -26.119 + 93.391 36.773 176.438 179.040 + 91.930 49.109 140.909 -96.360 + 90.438 40.618 113.549-125.520 + 91.113 50.088 163.675 29.404 + 90.708 45.249 134.803-172.428 + 92.120 75.861 136.694-129.090 + 90.229 -65.176 131.768-136.856 + 102.606 -66.410 180.000 180.000 + 98.094 -32.043 180.000 180.000 + 92.998 104.622 139.244-167.437 + 94.468 102.205 113.802 -77.101 + 123.243 -95.609 119.228 -77.359 + 94.684 80.457 180.000 180.000 + 130.222 -68.608 129.178 -91.637 + 118.956-107.847 109.150-113.255 + 118.503-141.041 110.812-111.962 + 118.397-108.250 126.891-135.029 + 120.652 0.000 118.876 -80.310 + # 166 total E -8.74959E+01 rmsd from N 2.349 %NC 0.53 1 + 116.993 170.041 144.913 -10.308 + 91.428 80.662 133.864 -26.016 + 93.402 36.774 176.438 179.115 + 91.889 49.133 140.890 -96.259 + 90.449 40.651 113.590-125.661 + 91.111 50.065 163.679 29.963 + 90.705 45.197 134.734-172.259 + 92.117 75.884 136.726-129.182 + 90.179 -65.183 131.862-136.963 + 102.599 -66.385 180.000 180.000 + 98.003 -32.073 180.000 180.000 + 92.996 104.706 139.199-167.377 + 94.480 102.177 113.944 -77.071 + 123.209 -95.770 119.254 -77.428 + 94.656 80.627 180.000 180.000 + 130.036 -68.722 129.233 -91.478 + 118.937-107.933 109.177-113.297 + 118.511-141.201 110.808-111.884 + 118.432-108.293 126.655-134.752 + 120.677 0.000 118.808 -80.311 + # 167 total E -8.74979E+01 rmsd from N 2.347 %NC 0.53 1 + 116.930 170.098 144.927 -10.645 + 91.440 80.681 133.803 -25.961 + 93.416 36.806 176.440 178.965 + 91.928 48.967 140.935 -96.272 + 90.439 40.789 113.383-125.408 + 91.084 49.960 163.171 29.705 + 90.715 45.505 134.784-172.296 + 92.109 75.925 136.732-128.892 + 90.199 -65.151 131.755-136.829 + 102.585 -66.397 180.000 180.000 + 98.082 -32.077 180.000 180.000 + 92.984 104.596 139.270-167.525 + 94.450 102.184 113.836 -77.070 + 123.297 -95.693 119.089 -77.451 + 94.640 80.504 180.000 180.000 + 130.117 -68.681 129.344 -91.434 + 118.994-107.906 108.997-113.020 + 118.491-141.176 110.828-111.972 + 118.394-108.208 126.957-135.147 + 120.708 0.000 118.905 -80.269 + # 168 total E -8.75040E+01 rmsd from N 2.354 %NC 0.60 1 + 116.973 170.688 145.034 -10.261 + 91.452 80.390 134.270 -26.773 + 93.591 36.085 176.436-179.363 + 92.130 49.470 141.147 -99.324 + 90.451 40.294 114.365-123.366 + 91.229 51.702 164.245 18.953 + 90.573 45.274 134.295-173.949 + 91.807 75.566 110.046 -99.604 + 90.248 -65.674 130.507-138.168 + 102.919 -66.530 180.000 180.000 + 98.199 -31.375 180.000 180.000 + 93.026 104.654 139.217-167.217 + 94.417 102.102 114.163 -76.980 + 122.906 -95.342 119.775 -77.500 + 94.702 80.924 180.000 180.000 + 130.659 -68.517 129.415 -93.405 + 118.883-107.240 109.527-113.811 + 118.271-141.188 110.611-111.775 + 118.332-108.781 127.058-135.655 + 120.751 0.000 119.058 -80.262 + # 169 total E -8.71928E+01 rmsd from N 2.060 %NC 0.53 1 + 93.888 121.898 146.716 -9.123 + 91.295 84.405 126.195 -18.752 + 91.178 45.390 94.932 -89.316 + 90.316 44.488 149.948 -96.146 + 89.958 43.944 117.235-125.268 + 90.984 52.905 125.850 36.071 + 89.960 42.033 132.780-157.982 + 91.699 64.201 131.886-138.028 + 92.203 -72.757 139.763 -29.124 + 119.344 -77.335 180.000 180.000 + 116.893 -57.995 180.000 180.000 + 92.534 68.569 139.278-169.517 + 95.160 94.466 112.845 -75.707 + 127.210 -87.661 151.072 -30.007 + 95.950 80.172 180.000 180.000 + 129.526 -75.277 144.342 -50.165 + 119.027-109.006 112.496-116.104 + 120.207-139.377 110.304-109.979 + 116.939-117.964 128.588-137.870 + 121.751 0.000 121.423 -80.873 + # 170 total E -8.90199E+01 rmsd from N 2.356 %NC 0.67 1 + 111.778 158.230 154.231 -39.151 + 92.110 81.005 131.697 -32.452 + 92.345 41.520 100.719 -79.801 + 91.445 44.719 149.462 -99.802 + 90.116 41.798 119.542-113.190 + 91.063 53.019 165.681 11.687 + 90.483 44.660 132.222-164.173 + 91.626 73.512 106.897-101.526 + 90.530 -64.316 130.799-136.524 + 104.540 -66.605 180.000 180.000 + 99.402 -32.140 180.000 180.000 + 92.737 102.082 139.892-168.533 + 93.411 107.775 113.145 -77.981 + 121.468 -96.952 123.353-135.335 + 94.454 77.194 180.000 180.000 + 129.454 -68.248 125.030 -96.903 + 118.729-107.182 111.179-115.997 + 118.712-138.348 110.237-110.969 + 117.531-118.204 124.921-133.216 + 121.803 0.000 121.471 -80.943 + # 171 total E -8.87138E+01 rmsd from N 2.888 %NC 0.60 1 + 115.918 174.202 151.464 -12.042 + 91.591 74.183 136.176 -47.778 + 92.142 43.695 123.625 123.085 + 90.924 48.354 144.981 -95.059 + 89.788 42.175 123.317-110.745 + 90.955 51.421 156.894 -16.057 + 90.653 42.840 136.310-173.724 + 91.672 72.433 105.393 -97.534 + 90.699 -62.424 129.350-138.608 + 108.706 -69.309 180.000 180.000 + 101.245 -26.530 180.000 180.000 + 92.937 99.314 136.393-162.185 + 92.697 99.423 114.284 -77.984 + 124.800 -88.335 126.232-139.391 + 94.811 84.311 180.000 180.000 + 129.213 -75.260 132.764-133.460 + 120.657-114.811 110.357-116.185 + 119.740-136.141 109.596-109.104 + 118.038-118.741 121.454-125.869 + 121.891 0.000 121.571 -81.060 + # 172 total E -8.90766E+01 rmsd from N 2.304 %NC 0.53 1 + 115.430 171.530 154.524-113.719 + 91.156 73.115 129.315 -23.700 + 91.294 45.049 92.205 -81.857 + 90.964 42.765 144.720-102.048 + 90.027 43.800 119.134-112.516 + 90.932 52.476 164.465 7.345 + 90.395 45.690 131.654-167.335 + 91.591 74.192 107.590-103.305 + 90.430 -65.205 130.094-137.079 + 103.594 -66.609 180.000 180.000 + 98.868 -31.594 180.000 180.000 + 92.873 104.282 139.936-168.454 + 94.401 102.565 113.564 -77.118 + 122.437 -94.952 120.245 -77.461 + 94.794 81.210 180.000 180.000 + 131.123 -69.191 129.163 -96.018 + 118.871-107.356 110.234-114.751 + 118.354-139.231 110.310-111.303 + 117.243-118.179 127.067-136.559 + 121.770 0.000 121.489 -80.871 + # 173 total E -8.72396E+01 rmsd from N 2.829 %NC 0.67 1 + 115.728 169.995 150.426 -13.138 + 91.657 79.171 142.520-110.634 + 90.966 58.299 133.998 114.886 + 89.256 49.993 145.286 -96.906 + 89.278 44.527 123.462 -91.514 + 90.610 52.217 156.906 -9.163 + 90.538 40.683 134.370-166.236 + 91.887 73.102 101.871 -97.901 + 90.868 -59.507 130.709-137.362 + 108.900 -70.036 180.000 180.000 + 101.264 -26.515 180.000 180.000 + 93.074 100.008 139.117-166.533 + 93.393 106.170 115.300 -78.780 + 126.217 -87.544 133.202-161.095 + 95.772 74.292 180.000 180.000 + 123.838 -79.779 131.390 -92.361 + 119.925-110.492 117.327-123.321 + 119.622-133.682 109.316-108.938 + 118.486-118.674 117.831-121.826 + 121.889 0.000 121.533 -81.077 + # 174 total E -8.72352E+01 rmsd from N 3.055 %NC 0.60 1 + 115.766 172.427 151.358 -12.719 + 91.625 75.643 136.022 -44.063 + 91.918 43.902 127.815 121.381 + 90.881 49.896 144.340 -93.779 + 89.703 41.365 125.900-108.916 + 90.819 52.876 152.004 -24.655 + 90.715 40.636 134.809-179.065 + 91.828 70.056 103.001 -96.015 + 91.768 -63.588 132.635-128.229 + 115.872 -48.238 180.000 180.000 + 120.956 -59.607 180.000 180.000 + 93.410 68.402 102.052 -89.491 + 93.023 118.969 122.714 128.789 + 113.393 -67.224 126.514-135.826 + 94.004 78.797 180.000 180.000 + 124.927 -63.609 143.549-136.568 + 120.470-110.957 109.189-114.338 + 120.473-138.051 111.132-110.121 + 117.532-118.810 124.154-130.370 + 121.877 0.000 121.614 -81.010 + # 175 total E -8.80846E+01 rmsd from N 2.492 %NC 0.60 1 + 93.981 124.867 142.452 -4.402 + 91.477 90.202 137.300 -14.963 + 90.364 47.945 128.678 112.291 + 89.337 43.925 147.776 -91.559 + 89.461 48.029 123.106-132.707 + 89.401 51.678 157.939 33.983 + 90.168 42.127 139.712-151.913 + 92.187 73.807 129.350-134.454 + 91.074 -59.737 135.641-131.743 + 105.987 -66.036 180.000 180.000 + 102.361 -35.107 180.000 180.000 + 92.651 99.200 138.569-167.440 + 93.306 105.771 111.247 -78.884 + 95.600 -84.586 127.605-179.202 + 96.655 91.881 180.000 180.000 + 130.111 -86.151 136.733 -42.003 + 120.671-111.085 118.059-121.927 + 119.413-117.728 111.093-111.272 + 118.082-118.685 119.319-124.025 + 121.893 0.000 121.538 -81.083 + # 176 total E -8.70536E+01 rmsd from N 2.384 %NC 0.60 1 + 116.946 170.214 144.953 -10.316 + 91.442 80.354 134.171 -26.363 + 93.491 36.137 176.441 179.290 + 92.026 49.546 141.026 -96.500 + 90.512 40.180 113.436-125.818 + 91.144 50.414 164.134 30.449 + 90.703 44.389 135.372-171.370 + 92.096 74.813 136.706-130.226 + 90.314 -64.463 133.361-133.797 + 103.958 -66.873 180.000 180.000 + 98.805 -32.227 180.000 180.000 + 92.863 102.301 139.192-167.289 + 93.407 106.965 113.532 -78.006 + 122.139 -97.684 121.475-134.644 + 94.354 77.151 180.000 180.000 + 128.954 -67.256 125.893 -93.257 + 118.825-107.282 109.381-113.583 + 118.457-140.746 110.651-111.746 + 118.635-108.100 125.298-132.893 + 120.699 0.000 118.891 -80.261 + # 177 total E -8.71226E+01 rmsd from N 2.795 %NC 0.53 1 + 119.064-143.196 111.811 -79.638 + 91.216 85.602 131.034 5.179 + 90.458 49.611 137.514 110.939 + 89.621 46.657 145.869 -91.990 + 89.171 47.143 127.100-144.184 + 89.488 49.197 146.523 -7.027 + 90.254 45.546 140.220-156.926 + 91.754 76.840 133.499-132.558 + 90.389 -58.320 131.669-139.140 + 106.097 -70.687 180.000 180.000 + 100.594 -29.027 180.000 180.000 + 92.963 103.103 138.051-165.592 + 94.163 95.095 113.243 -77.067 + 125.966 -81.193 126.985 -78.270 + 96.360 81.490 180.000 180.000 + 128.456 -83.343 146.200 -32.960 + 119.907-113.083 111.738-113.422 + 119.808-134.347 110.333-110.571 + 118.397-118.674 118.783-122.711 + 121.891 0.000 121.536 -81.079 + # 178 total E -8.77638E+01 rmsd from N 2.156 %NC 0.53 1 + 93.710 62.811 110.176 -80.667 + 91.472 83.614 126.441 -22.476 + 91.522 44.257 96.611 -87.755 + 90.683 44.572 150.041 -95.416 + 90.520 43.140 117.244-123.869 + 91.436 48.083 149.062 37.347 + 91.029 44.167 132.294-146.082 + 92.148 72.074 137.656-132.393 + 91.296 -67.179 133.762-131.647 + 112.673 -59.352 180.000 180.000 + 115.012 -62.708 180.000 180.000 + 93.386 66.236 139.678-168.043 + 93.551 112.828 109.249 61.323 + 119.874 -81.858 118.287 -84.050 + 94.510 71.816 180.000 180.000 + 124.927 -74.823 140.197 -55.330 + 119.905-111.522 107.929-109.863 + 119.532-137.040 112.833-113.816 + 117.715-118.328 123.761-130.165 + 121.840 0.000 121.473 -81.015 + # 179 total E -8.74161E+01 rmsd from N 2.379 %NC 0.53 1 + 116.714 169.484 145.313 -11.166 + 91.428 79.681 135.426 -26.634 + 93.140 35.152 172.447 14.604 + 91.929 50.093 142.782 -92.943 + 90.184 41.579 114.742-125.297 + 90.638 50.213 163.655 29.698 + 90.688 45.135 136.549-173.998 + 92.172 76.037 136.957-129.315 + 90.277 -64.950 132.046-136.987 + 102.579 -66.144 180.000 180.000 + 98.051 -32.300 180.000 180.000 + 93.009 104.921 139.350-167.711 + 94.549 102.343 113.719 -77.066 + 122.573 -95.639 119.461 -77.130 + 94.760 79.836 180.000 180.000 + 130.657 -68.782 128.128 -92.196 + 118.615-107.763 110.708-115.424 + 119.436-143.066 110.874-111.386 + 118.833-102.480 126.189-133.434 + 120.215 0.000 117.661 -79.836 + # 180 total E -8.74159E+01 rmsd from N 2.380 %NC 0.53 1 + 116.630 169.091 145.520 -12.065 + 91.453 80.032 135.329 -26.915 + 93.212 35.173 172.479 14.052 + 91.924 50.094 142.838 -92.714 + 90.183 41.494 114.632-125.134 + 90.642 50.287 163.548 29.292 + 90.678 45.131 136.673-174.176 + 92.165 76.189 136.996-129.300 + 90.255 -64.905 131.987-137.395 + 102.468 -66.204 180.000 180.000 + 97.992 -32.169 180.000 180.000 + 93.023 105.010 139.317-167.629 + 94.482 102.221 113.971 -76.980 + 122.533 -95.863 119.603 -77.112 + 94.781 80.055 180.000 180.000 + 130.466 -68.842 128.187 -92.272 + 118.603-107.703 110.627-115.361 + 119.409-142.990 110.837-111.360 + 118.875-102.809 126.383-133.695 + 120.019 0.000 117.525 -79.893 + # 181 total E -8.84115E+01 rmsd from N 2.903 %NC 0.60 1 + 115.590 171.453 151.622 -13.642 + 91.649 76.214 136.420 -41.783 + 91.865 44.748 126.187 120.617 + 90.714 46.911 146.307 -96.240 + 89.642 44.711 124.037-107.721 + 90.748 51.754 157.457 -7.397 + 90.597 44.279 137.338-162.499 + 91.786 74.463 105.889-101.045 + 90.580 -64.488 127.615-141.965 + 105.232 -66.750 180.000 180.000 + 98.535 -29.354 180.000 180.000 + 93.324 105.784 112.488-102.301 + 93.747 92.852 114.729 -76.943 + 123.529 -84.956 119.026 -78.355 + 94.828 87.792 180.000 180.000 + 132.141 -64.374 137.721-123.330 + 119.282-109.898 108.792-114.451 + 120.781-136.701 110.871-109.818 + 118.083-118.693 121.067-126.611 + 121.892 0.000 121.550 -81.073 + # 182 total E -8.71950E+01 rmsd from N 2.380 %NC 0.53 1 + 116.332 175.940 113.942 -81.159 + 91.701 80.920 135.319 -27.262 + 93.022 35.877 172.616 13.868 + 91.953 49.829 142.472 -92.613 + 90.231 41.558 116.252-123.913 + 90.682 50.102 163.454 29.860 + 90.709 45.329 136.596-174.794 + 92.166 76.087 137.104-129.137 + 90.290 -64.985 131.852-137.321 + 102.515 -66.213 180.000 180.000 + 97.995 -32.065 180.000 180.000 + 93.035 105.060 139.390-167.751 + 94.488 102.055 113.970 -77.052 + 122.496 -96.019 119.510 -77.175 + 94.763 80.248 180.000 180.000 + 130.495 -68.576 128.365 -92.458 + 118.613-107.765 110.201-114.771 + 119.360-143.116 110.908-111.547 + 118.754-102.983 126.850-134.439 + 120.148 0.000 117.589 -79.916 + # 183 total E -8.74180E+01 rmsd from N 2.380 %NC 0.53 1 + 116.849 169.719 145.081 -11.056 + 91.426 79.592 135.343 -26.440 + 93.158 35.224 172.487 14.362 + 91.930 50.022 142.705 -92.798 + 90.189 41.529 114.661-125.184 + 90.650 50.201 163.553 29.134 + 90.687 45.161 136.693-174.192 + 92.163 76.100 137.036-129.310 + 90.274 -64.885 131.943-137.234 + 102.537 -66.239 180.000 180.000 + 97.995 -32.102 180.000 180.000 + 93.032 105.035 139.363-167.737 + 94.513 102.177 113.945 -77.060 + 122.490 -95.909 119.631 -77.086 + 94.783 80.171 180.000 180.000 + 130.413 -68.858 128.239 -92.408 + 118.599-107.644 110.641-115.349 + 119.370-142.975 110.821-111.400 + 118.853-102.622 126.388-133.735 + 120.111 0.000 117.531 -79.915 + # 184 total E -8.74154E+01 rmsd from N 2.382 %NC 0.53 1 + 116.746 169.818 144.972 -10.941 + 91.416 79.573 135.417 -26.483 + 93.125 35.254 172.479 14.338 + 91.885 50.156 142.598 -92.619 + 90.192 41.444 114.864-125.344 + 90.666 50.283 164.114 29.582 + 90.687 44.964 136.416-174.430 + 92.165 75.906 137.034-129.521 + 90.294 -64.987 131.948-137.175 + 102.598 -66.230 180.000 180.000 + 97.986 -32.070 180.000 180.000 + 93.030 105.126 139.262-167.564 + 94.519 102.195 113.981 -77.148 + 122.476 -95.954 119.849 -76.990 + 94.814 80.153 180.000 180.000 + 130.382 -68.839 128.019 -92.477 + 118.556-107.618 110.630-115.449 + 119.446-142.978 110.778-111.396 + 118.895-102.184 126.190-133.369 + 119.991 0.000 117.626 -80.049 + # 185 total E -8.71991E+01 rmsd from N 3.101 %NC 0.60 1 + 115.708 170.892 150.923 -12.963 + 91.674 76.076 133.878 -41.084 + 92.684 39.299 129.476 121.552 + 91.884 50.465 143.594 -91.467 + 90.057 39.633 123.438-112.824 + 91.215 54.027 146.568 -34.696 + 90.740 41.241 138.363 178.326 + 91.672 68.882 102.581 -93.608 + 92.032 -66.601 132.853-128.293 + 118.532 -40.409 180.000 180.000 + 121.023 -62.769 180.000 180.000 + 93.780 65.710 104.670 -73.433 + 93.034 123.284 131.669 132.096 + 96.083 -65.325 120.197-136.060 + 94.539 86.766 180.000 180.000 + 128.302 -65.738 136.916-150.282 + 120.594-113.696 108.035-113.225 + 120.503-138.154 111.685-111.052 + 117.459-118.776 124.458-130.514 + 121.868 0.000 121.610 -80.994 + # 186 total E -8.69435E+01 rmsd from N 2.900 %NC 0.53 1 + 115.700 -48.276 148.187 -19.068 + 91.498 72.487 136.348 -46.611 + 91.989 43.924 124.007 123.020 + 90.899 48.208 144.045 -95.431 + 89.797 42.357 123.271-110.941 + 90.960 51.308 156.895 -16.033 + 90.646 42.726 136.258-174.472 + 91.680 72.361 105.394 -97.483 + 90.707 -62.451 129.403-138.480 + 108.831 -69.396 180.000 180.000 + 101.271 -26.430 180.000 180.000 + 92.946 99.294 136.423-162.181 + 92.700 99.262 114.319 -77.993 + 124.901 -88.260 126.419-139.668 + 94.834 84.294 180.000 180.000 + 129.149 -75.275 132.682-133.837 + 120.647-114.748 110.449-116.327 + 119.739-136.221 109.538-109.007 + 117.993-118.753 121.743-126.338 + 121.890 0.000 121.575 -81.056 + # 187 total E -8.70771E+01 rmsd from N 2.790 %NC 0.60 1 + 116.120 168.381 147.782 -13.128 + 91.553 79.374 127.133 -27.086 + 92.767 35.162 145.178 115.599 + 92.318 55.406 139.464 -86.602 + 90.429 38.326 119.298-129.797 + 90.840 57.249 120.012 -42.624 + 89.891 46.240 152.084-174.363 + 90.937 69.896 90.032 -73.284 + 90.388 -69.456 138.040-128.024 + 112.417 -75.282 180.000 180.000 + 102.086 -21.129 180.000 180.000 + 92.958 98.862 138.455-163.250 + 92.948 71.809 115.481 -76.298 + 94.257 -95.532 108.912 -85.384 + 93.893 144.022 180.000 180.000 + 137.321 -78.574 147.582 158.598 + 115.772-103.648 112.608-122.127 + 118.418-142.120 107.104-105.657 + 116.816-118.428 131.363-145.165 + 121.712 0.000 121.617 -80.697 + # 188 total E -8.71037E+01 rmsd from N 3.464 %NC 0.47 1 + 93.703 40.680 109.186 -81.411 + 91.963 92.652 138.799 -17.287 + 91.603 42.813 144.322 112.027 + 90.874 48.195 142.293 -90.876 + 89.609 44.535 120.454-132.948 + 89.479 61.045 140.163 -34.272 + 89.886 42.668 141.154 170.905 + 91.085 73.287 92.093 -77.585 + 91.311 -53.950 135.533-133.725 + 111.670 -67.287 180.000 180.000 + 102.015 -31.434 180.000 180.000 + 92.628 100.710 109.619 -89.163 + 93.266 102.737 112.337 -79.438 + 119.441 -74.181 130.250-154.295 + 95.342 83.095 180.000 180.000 + 127.324 -71.363 151.452 -28.896 + 119.813-109.969 107.487-108.103 + 119.892-137.645 108.848-108.310 + 117.634-118.820 123.725-131.755 + 121.868 0.000 121.626 -80.986 + # 189 total E -8.72246E+01 rmsd from N 3.119 %NC 0.53 1 + 93.717 38.342 108.448 -80.539 + 91.731 74.362 133.229 -38.159 + 92.836 37.722 131.386 120.794 + 92.079 51.433 141.954 -90.728 + 90.306 38.825 119.179-123.125 + 91.258 55.877 141.948 -37.465 + 90.650 41.313 140.605 178.348 + 91.517 69.121 94.094 -76.429 + 92.041 -65.413 134.756-126.068 + 119.338 -40.587 180.000 180.000 + 121.296 -63.516 180.000 180.000 + 93.751 64.937 104.451 -73.553 + 92.982 123.454 129.980 130.435 + 95.417 -64.134 119.370-134.782 + 94.451 86.922 180.000 180.000 + 129.264 -65.775 135.438-152.988 + 120.707-113.576 108.540-114.093 + 120.599-138.364 110.947-109.947 + 117.459-118.787 124.787-131.137 + 121.866 0.000 121.616 -80.987 + # 190 total E -8.77026E+01 rmsd from N 3.069 %NC 0.53 1 + 93.847 99.811 147.208 -12.411 + 91.410 72.479 136.961 -39.991 + 91.042 45.717 129.042 117.960 + 89.934 49.514 141.687 -88.945 + 89.656 42.620 119.497-128.715 + 90.523 50.993 137.122 -10.958 + 90.662 41.576 140.922-173.543 + 92.167 73.690 134.654-133.674 + 92.091 -58.599 136.310-123.773 + 118.687 -44.677 180.000 180.000 + 123.291 -63.471 180.000 180.000 + 93.482 63.976 96.296 -86.320 + 94.414 130.379 115.178 -77.544 + 123.353 -73.429 137.928-147.434 + 94.116 74.850 180.000 180.000 + 121.479 -54.502 145.439-117.644 + 117.816-105.850 111.138-118.202 + 120.660-138.451 111.587-110.164 + 117.527-118.719 124.568-132.839 + 121.858 0.000 121.597 -80.982 + # 191 total E -8.89274E+01 rmsd from N 2.805 %NC 0.47 1 + 93.710 37.185 108.298 -80.424 + 91.621 73.122 137.888 -41.608 + 91.889 43.726 124.505 122.476 + 90.805 47.676 144.117 -95.493 + 89.711 43.435 124.286-108.690 + 90.837 50.378 156.582 -12.494 + 90.700 44.209 136.285-173.309 + 91.750 74.102 106.680 -98.340 + 90.518 -63.958 127.045-143.479 + 106.205 -69.168 180.000 180.000 + 99.992 -27.087 180.000 180.000 + 93.179 103.189 135.559-161.082 + 93.882 91.260 114.642 -76.663 + 126.982 -85.800 122.171 -77.615 + 95.450 90.034 180.000 180.000 + 130.532 -76.050 140.011-133.239 + 120.741-116.507 109.233-114.602 + 120.210-136.465 109.588-108.719 + 117.966-118.753 122.008-126.645 + 121.890 0.000 121.575 -81.056 + # 192 total E -8.76478E+01 rmsd from N 2.063 %NC 0.60 1 + 93.974 126.605 143.494 -1.791 + 91.342 90.379 131.304 -17.065 + 90.889 45.533 121.614 98.013 + 89.917 48.800 144.823 -91.745 + 89.811 45.693 122.104-134.440 + 90.191 50.070 137.290 29.907 + 90.285 43.431 142.830-157.906 + 91.964 72.315 133.964-134.587 + 91.117 -62.047 135.754-129.075 + 111.009 -78.515 180.000 180.000 + 118.307 -64.482 180.000 180.000 + 92.579 69.125 138.317-168.227 + 92.547 91.596 113.251 -76.317 + 117.929 -81.347 116.947 -83.229 + 95.651 83.590 180.000 180.000 + 133.216 -60.405 161.631 -43.345 + 123.603-145.742 102.720-102.219 + 119.894-111.867 114.323-115.480 + 116.929-118.528 130.255-139.058 + 121.770 0.000 121.597 -80.810 + # 193 total E -8.88959E+01 rmsd from N 2.744 %NC 0.60 1 + 115.634 171.622 151.551 -13.260 + 91.625 75.863 136.991 -43.121 + 91.998 44.112 124.516 121.533 + 90.746 47.249 146.798 -96.881 + 89.865 44.614 123.435-109.807 + 91.157 48.762 155.752 -6.507 + 90.785 45.038 136.474-152.828 + 91.807 73.595 107.858 -97.791 + 90.386 -68.015 127.330-140.622 + 107.148 -70.763 180.000 180.000 + 99.699 -23.782 180.000 180.000 + 93.513 103.512 135.404-159.107 + 93.536 87.893 116.645 -75.918 + 124.983 -90.709 120.488 -78.059 + 95.293 91.335 180.000 180.000 + 133.194 -73.809 140.706-127.519 + 120.136-112.317 110.185-116.129 + 120.478-136.083 110.362-109.309 + 118.233-118.658 120.152-124.336 + 121.891 0.000 121.540 -81.078 + # 194 total E -8.70901E+01 rmsd from N 2.442 %NC 0.53 1 + 114.917 159.735 146.519 -23.638 + 91.604 87.857 138.187 -12.267 + 90.305 47.874 127.897 113.939 + 89.423 43.417 149.355 -93.773 + 89.736 48.516 123.317-131.395 + 89.865 49.406 156.727 32.905 + 90.376 42.721 137.159-139.134 + 92.399 72.843 131.308-135.545 + 91.213 -65.766 137.897-117.725 + 108.115 -56.837 180.000 180.000 + 115.227 -51.379 180.000 180.000 + 93.202 83.858 138.873-166.203 + 92.661 111.362 112.555 -76.796 + 93.789 -72.597 134.814-161.254 + 96.984 83.457 180.000 180.000 + 132.098 -89.082 138.335 -37.148 + 120.658-110.343 119.616-123.636 + 119.640-117.121 111.583-111.786 + 118.217-118.628 117.946-121.988 + 121.890 0.000 121.518 -81.089 + # 195 total E -8.76097E+01 rmsd from N 2.776 %NC 0.60 1 + 93.856 102.919 146.924 -11.064 + 91.383 71.596 137.678 -41.313 + 91.381 45.249 123.303 120.329 + 90.241 47.070 145.374 -93.524 + 89.926 44.542 117.948-124.853 + 91.051 47.292 152.683 2.771 + 91.114 42.361 135.951-152.975 + 92.528 72.963 136.283-133.626 + 91.778 -67.550 135.083-114.246 + 114.116 -49.358 180.000 180.000 + 121.147 -57.093 180.000 180.000 + 93.811 69.011 132.406-155.134 + 92.589 117.042 120.909 127.943 + 113.126 -72.253 124.153-134.825 + 94.267 75.233 180.000 180.000 + 125.499 -74.239 144.635-122.998 + 120.566-112.756 109.661-114.953 + 119.456-135.580 116.749-117.837 + 118.454-118.573 118.781-120.979 + 121.877 0.000 121.509 -81.068 + # 196 total E -8.75662E+01 rmsd from N 2.326 %NC 0.53 1 + 93.875 124.139 148.190 -7.334 + 91.438 85.310 134.348 -31.609 + 91.266 45.115 96.204 -82.753 + 89.583 45.966 147.534 -94.619 + 89.561 44.601 118.469-127.408 + 90.472 49.206 165.150 103.161 + 90.911 43.009 137.220 -53.242 + 92.806 72.732 134.853-134.543 + 90.739 -69.568 129.937-139.068 + 101.781 -63.413 180.000 180.000 + 96.800 -32.355 180.000 180.000 + 93.302 106.962 140.613-168.187 + 94.789 102.878 114.939 -76.887 + 124.371 -97.618 120.280 -76.133 + 95.088 80.032 180.000 180.000 + 129.008 -68.987 127.751 -91.494 + 118.183-111.032 109.783-114.420 + 119.845-137.678 110.124-110.273 + 117.579-118.292 124.059-130.492 + 121.839 0.000 121.537 -80.985 + # 197 total E -8.98133E+01 rmsd from N 2.309 %NC 0.47 1 + 93.712 62.130 109.735 -80.371 + 91.590 80.169 129.217 -29.705 + 91.902 43.827 94.253 -83.063 + 91.068 43.883 147.797 -99.955 + 89.994 42.943 119.787-112.659 + 90.935 52.624 164.437 10.540 + 90.450 45.967 131.788-166.173 + 91.614 74.451 107.904-103.013 + 90.419 -65.150 129.894-137.796 + 103.313 -66.289 180.000 180.000 + 98.751 -31.896 180.000 180.000 + 92.860 104.251 139.912-168.550 + 94.410 102.663 113.480 -77.140 + 122.639 -95.133 120.023 -77.531 + 94.750 80.948 180.000 180.000 + 130.852 -69.225 129.167 -95.059 + 118.928-107.699 109.974-114.352 + 118.483-139.143 110.439-111.419 + 117.241-118.171 126.978-136.228 + 121.772 0.000 121.483 -80.878 + # 198 total E -8.72498E+01 rmsd from N 2.217 %NC 0.60 1 + 93.871 102.200 145.994 -10.879 + 91.380 71.816 139.020 -40.722 + 91.227 47.046 134.638 111.541 + 90.592 46.443 145.759 -95.008 + 89.987 42.528 119.623-118.778 + 90.785 60.036 158.101 -97.586 + 90.203 40.486 148.756-158.581 + 91.612 67.814 103.400-105.915 + 91.230 -67.674 130.806-128.585 + 107.111 -61.759 180.000 180.000 + 99.316 -31.875 180.000 180.000 + 92.572 104.558 101.985 -85.989 + 94.041 120.517 113.241 -77.453 + 108.880 -79.768 117.563 -79.886 + 94.966 71.687 180.000 180.000 + 130.785 -82.271 116.005-102.898 + 118.980-104.864 120.347-127.687 + 116.611-138.196 107.844-108.370 + 117.550-118.749 125.407-135.152 + 121.832 0.000 121.638 -80.909 + # 199 total E -8.69920E+01 rmsd from N 2.414 %NC 0.60 1 + 116.544 169.862 144.933 -10.839 + 91.431 79.244 135.573 -26.780 + 93.231 34.513 172.335 14.011 + 92.059 50.670 142.795 -92.874 + 90.253 40.933 114.852-125.459 + 90.704 50.621 164.478 30.347 + 90.662 44.064 137.343-173.047 + 92.156 74.808 137.128-130.524 + 90.407 -64.141 134.022-133.756 + 104.041 -66.926 180.000 180.000 + 98.842 -32.447 180.000 180.000 + 92.860 102.579 139.367-167.708 + 93.412 107.022 113.554 -78.161 + 121.743 -98.066 122.331-135.371 + 94.447 76.625 180.000 180.000 + 128.949 -67.656 124.902 -93.738 + 118.451-106.988 111.123-115.903 + 119.369-142.641 110.636-111.255 + 119.139-102.156 124.383-131.014 + 120.007 0.000 117.587 -80.067 + # 200 total E -8.69946E+01 rmsd from N 2.415 %NC 0.60 1 + 116.881 169.901 145.064 -10.778 + 91.425 79.225 135.566 -26.823 + 93.236 34.539 172.357 14.070 + 92.036 50.691 142.830 -92.888 + 90.264 40.871 114.783-125.608 + 90.712 50.676 164.688 30.684 + 90.676 43.960 137.411-173.129 + 92.149 74.910 137.077-130.659 + 90.385 -64.174 133.565-134.232 + 103.970 -66.787 180.000 180.000 + 98.703 -32.296 180.000 180.000 + 92.894 102.684 139.393-167.676 + 93.437 107.090 113.652 -78.033 + 121.548 -98.035 121.814-135.813 + 94.479 76.607 180.000 180.000 + 129.071 -67.489 124.698 -93.873 + 118.427-107.023 111.151-116.064 + 119.353-142.520 110.619-111.127 + 119.182-102.133 124.328-130.893 + 120.072 0.000 117.459 -79.876 diff --git a/examples/unres/CSA/GAB/CSA/local/1l2y_csa.CSA.bank1 b/examples/unres/CSA/GAB/CSA/local/1l2y_csa.CSA.bank1 new file mode 100644 index 0000000..f0662bf --- /dev/null +++ b/examples/unres/CSA/GAB/CSA/local/1l2y_csa.CSA.bank1 @@ -0,0 +1,4202 @@ + 0 + jlee = 1 nbank = 200 nstep = 22141 60.01936 + # 1 total E -8.88908E+01 rmsd from N 2.795 %NC 0.53 0 + 115.768 172.315 151.291 -12.712 + 91.603 75.685 137.137 -43.764 + 92.029 43.533 124.242 122.439 + 90.832 47.844 144.974 -95.066 + 89.706 43.232 124.446-108.372 + 90.841 50.498 156.489 -12.667 + 90.706 44.321 136.343-172.634 + 91.742 74.164 106.658 -98.353 + 90.508 -63.933 126.991-143.547 + 106.133 -69.120 180.000 180.000 + 99.971 -27.125 180.000 180.000 + 93.170 103.167 135.559-161.108 + 93.864 91.396 114.646 -76.662 + 126.785 -85.975 122.006 -77.634 + 95.420 90.180 180.000 180.000 + 130.624 -75.978 140.093-133.081 + 120.745-116.563 109.149-114.486 + 120.232-136.366 109.631-108.771 + 117.983-118.752 121.879-126.423 + 121.890 0.000 121.574 -81.058 + # 2 total E -8.71355E+01 rmsd from N 2.050 %NC 0.67 0 + 112.721 156.573 149.244 -38.258 + 91.965 86.604 137.045 -17.135 + 90.623 45.176 104.097 -84.152 + 89.627 43.661 150.169 -99.480 + 90.765 44.933 120.817-130.001 + 91.182 44.624 138.424 83.478 + 91.225 44.616 129.650-138.227 + 93.010 75.293 139.553-139.079 + 90.974 -70.947 148.668 -27.939 + 105.471 -53.211 180.000 180.000 + 111.954 -66.042 180.000 180.000 + 93.064 72.786 137.286-165.242 + 92.787 112.889 114.379 -76.891 + 122.190 -89.584 122.257-133.374 + 95.428 74.826 180.000 180.000 + 118.528 -76.099 135.004 -48.325 + 119.486-118.784 107.422-108.008 + 118.516-115.674 141.542-156.315 + 117.650-118.294 123.905-128.335 + 121.865 0.000 121.428 -81.089 + # 3 total E -8.73004E+01 rmsd from N 2.305 %NC 0.60 0 + 115.226 162.248 147.543 -19.764 + 91.547 83.456 141.007 -21.592 + 91.468 41.252 125.418 120.846 + 90.579 46.763 150.950 -93.366 + 90.764 44.731 120.420-127.322 + 91.187 48.261 146.660 93.022 + 91.189 40.531 137.923-126.292 + 93.321 70.186 136.211-135.361 + 92.029 -72.958 142.203-133.709 + 109.616 -44.845 180.000 180.000 + 114.941 -72.370 180.000 180.000 + 93.621 65.852 131.787-157.871 + 93.266 123.000 114.926 -76.945 + 117.862 -84.288 125.960-144.389 + 95.360 69.803 180.000 180.000 + 120.097 -82.505 127.409 -49.750 + 123.828-163.867 109.789-108.161 + 119.051-113.133 117.319-119.415 + 117.332-118.587 125.902-132.703 + 121.787 0.000 121.566 -80.883 + # 4 total E -8.74119E+01 rmsd from N 2.435 %NC 0.67 0 + 93.864 105.369 146.545 -10.888 + 91.488 74.417 135.261 -34.711 + 92.433 42.436 130.569 114.182 + 91.317 43.764 141.060 -92.894 + 89.945 45.441 116.678-115.218 + 90.704 48.649 162.492 -20.261 + 90.954 46.313 139.807 170.231 + 92.155 58.761 110.367-100.437 + 93.081 -69.242 114.651 -80.088 + 121.952 -41.439 180.000 180.000 + 125.595 -61.170 180.000 180.000 + 93.454 61.542 99.849 -94.110 + 92.920 130.671 123.398 132.742 + 116.685 -69.868 133.011-146.164 + 94.559 67.920 180.000 180.000 + 122.531 -88.878 128.036-116.607 + 120.299-110.894 113.872-118.509 + 118.479-138.652 112.856-113.413 + 116.825-118.588 129.450-138.475 + 121.776 0.000 121.625 -80.807 + # 5 total E -8.97937E+01 rmsd from N 2.814 %NC 0.53 0 + 93.867 102.473 146.293 -10.912 + 91.421 71.386 137.710 -40.273 + 91.686 44.055 125.036 122.161 + 90.689 47.547 143.621 -94.312 + 89.668 43.741 122.551-113.367 + 90.803 50.133 156.631 -11.563 + 90.692 44.142 136.169-173.569 + 91.770 74.156 107.408 -98.423 + 90.509 -63.957 127.145-143.398 + 106.195 -69.198 180.000 180.000 + 99.972 -27.088 180.000 180.000 + 93.189 103.186 135.522-161.023 + 93.895 91.175 114.646 -76.664 + 127.215 -85.718 122.153 -77.614 + 95.449 89.869 180.000 180.000 + 130.393 -75.995 140.292-132.793 + 120.780-116.491 109.286-114.678 + 120.210-136.549 109.523-108.614 + 117.930-118.753 122.233-127.008 + 121.891 0.000 121.579 -81.051 + # 6 total E -8.82537E+01 rmsd from N 2.550 %NC 0.47 0 + 93.868 105.617 146.422 -10.308 + 91.454 69.980 142.627 -50.452 + 91.367 41.059 80.221 -90.857 + 91.822 52.194 147.553 -94.951 + 90.089 40.856 123.711-121.459 + 91.009 59.712 132.023 -91.355 + 89.884 39.544 130.367-171.710 + 92.168 68.526 103.707-100.802 + 91.185 -64.594 138.654-138.750 + 108.493 -66.157 180.000 180.000 + 100.020 -28.671 180.000 180.000 + 92.893 104.802 143.373-172.879 + 92.644 101.412 114.372 -76.679 + 121.669 -87.883 118.033 -84.286 + 95.675 81.950 180.000 180.000 + 132.673 -79.313 125.037-117.097 + 119.351-106.213 119.766-127.946 + 119.115-136.911 106.745-106.375 + 117.966-118.762 121.855-125.888 + 121.900 0.000 121.570 -81.078 + # 7 total E -8.78790E+01 rmsd from N 3.071 %NC 0.53 0 + 93.865 111.802 146.801 -10.696 + 91.500 76.363 131.419 -34.843 + 92.708 37.571 134.237 119.423 + 92.068 51.007 141.590 -89.508 + 90.207 39.605 119.479-122.656 + 90.938 56.434 140.103 -37.845 + 90.527 42.854 141.060 174.383 + 91.300 70.182 94.248 -76.590 + 91.835 -64.276 134.422-129.015 + 117.373 -47.469 180.000 180.000 + 118.430 -60.038 180.000 180.000 + 93.613 71.840 101.005 -64.828 + 93.880 116.126 114.228 -76.286 + 96.961 -69.033 116.714 -77.655 + 94.778 93.068 180.000 180.000 + 130.278 -64.365 137.258-155.363 + 119.815-113.866 108.069-114.141 + 121.228-138.545 110.316-108.544 + 117.464-118.790 124.811-131.791 + 121.870 0.000 121.627 -80.991 + # 8 total E -8.71645E+01 rmsd from N 2.629 %NC 0.53 0 + 119.113-120.447 110.983 -83.073 + 91.640 73.189 139.669 -37.552 + 91.482 44.137 123.653 120.999 + 90.280 47.486 143.693 -93.141 + 89.804 44.557 119.745-123.004 + 90.855 45.746 151.488 -1.903 + 91.344 43.339 135.204-164.988 + 92.945 65.242 138.109-132.762 + 91.837 -62.009 120.586 -85.638 + 116.785 -73.549 180.000 180.000 + 118.103 -46.859 180.000 180.000 + 92.681 73.533 135.895-162.775 + 92.319 99.138 112.483 -76.287 + 127.450 -76.369 119.524 -86.360 + 95.474 76.440 180.000 180.000 + 127.412 -78.648 152.347-133.349 + 120.742-115.091 110.227-115.549 + 119.916-136.108 111.483-111.131 + 118.112-118.701 121.049-124.595 + 121.890 0.000 121.554 -81.067 + # 9 total E -8.72422E+01 rmsd from N 2.778 %NC 0.60 0 + 93.713 32.975 107.673 -80.054 + 91.579 65.761 135.852 -54.504 + 91.502 60.040 124.715 118.215 + 89.795 49.945 143.634 -98.221 + 89.690 43.653 119.607-114.058 + 91.266 51.270 161.976 0.300 + 90.759 39.844 130.405-171.712 + 92.230 73.457 103.508 -96.585 + 91.005 -61.698 130.666-136.087 + 107.785 -68.875 180.000 180.000 + 101.312 -27.886 180.000 180.000 + 93.244 99.394 133.348-158.238 + 93.866 108.564 114.054 -78.979 + 131.184 -96.505 134.216-155.881 + 95.310 81.308 180.000 180.000 + 125.577 -66.608 132.847 -80.891 + 119.508-111.877 110.347-116.208 + 120.026-135.990 111.561-111.057 + 118.223-118.673 120.375-124.465 + 121.889 0.000 121.542 -81.072 + # 10 total E -8.73736E+01 rmsd from N 2.476 %NC 0.67 0 + 93.865 104.771 146.509 -10.542 + 91.399 72.029 132.974 -42.464 + 92.273 41.387 133.115 117.505 + 91.160 49.496 142.351 -91.614 + 89.904 40.469 120.958-120.529 + 90.851 57.720 155.817 -76.931 + 90.378 37.797 137.386 170.213 + 91.673 62.544 102.718 -99.495 + 92.390 -67.769 132.456-122.168 + 117.625 -50.916 180.000 180.000 + 122.359 -53.940 180.000 180.000 + 92.698 73.823 99.046 -94.085 + 92.998 128.461 113.408 -77.588 + 118.136 -75.855 137.377-156.502 + 95.419 71.536 180.000 180.000 + 127.696 -86.672 125.247-117.321 + 119.661-111.202 116.719-122.848 + 119.283-138.245 108.548-107.721 + 117.155-118.734 127.518-135.653 + 121.823 0.000 121.638 -80.891 + # 11 total E -8.85006E+01 rmsd from N 2.828 %NC 0.53 0 + 93.903 117.894 144.755 -11.791 + 91.215 87.753 131.099 1.710 + 90.424 49.507 138.584 109.707 + 89.624 46.778 145.240 -91.852 + 89.166 47.121 126.823-143.870 + 89.461 49.307 145.598 -8.364 + 90.224 45.610 140.950-157.756 + 91.719 76.735 133.397-132.657 + 90.394 -58.109 131.809-138.961 + 106.343 -71.030 180.000 180.000 + 100.763 -28.882 180.000 180.000 + 92.952 102.993 138.032-165.521 + 94.109 94.321 113.166 -77.074 + 126.150 -80.786 127.119 -78.615 + 96.407 81.880 180.000 180.000 + 128.605 -83.272 147.264 -31.768 + 119.999-113.165 111.159-112.641 + 119.788-134.854 110.195-110.401 + 118.302-118.700 119.517-123.749 + 121.892 0.000 121.546 -81.076 + # 12 total E -8.95299E+01 rmsd from N 2.632 %NC 0.47 0 + 93.854 101.631 146.893 -11.565 + 91.444 73.816 139.537 -35.321 + 91.114 45.572 123.015 119.623 + 90.110 45.722 142.731 -91.509 + 89.684 44.912 118.287-122.995 + 90.421 47.366 157.451 15.125 + 90.745 46.436 135.143-174.967 + 92.016 75.854 136.438-128.587 + 90.312 -64.412 130.091-138.187 + 103.955 -68.169 180.000 180.000 + 99.064 -29.393 180.000 180.000 + 93.109 104.007 137.169-163.987 + 93.992 96.043 114.374 -76.820 + 124.195 -91.375 118.815 -77.649 + 94.709 84.434 180.000 180.000 + 131.799 -64.179 137.240-106.969 + 120.744-134.856 105.423-108.793 + 118.816-113.823 109.016-108.963 + 116.912-118.493 130.887-141.797 + 121.743 0.000 121.592 -80.754 + # 13 total E -8.72895E+01 rmsd from N 3.109 %NC 0.53 0 + 93.710 36.217 108.216 -80.416 + 91.623 72.106 135.647 -42.876 + 91.950 43.375 128.171 121.476 + 91.092 49.418 143.365 -94.024 + 89.754 41.307 126.303-104.326 + 90.885 52.944 152.388 -26.350 + 90.677 41.165 134.945 177.937 + 91.718 69.752 102.841 -96.175 + 91.774 -65.403 132.855-125.215 + 115.944 -46.152 180.000 180.000 + 119.101 -58.857 180.000 180.000 + 93.550 71.945 104.031 -75.455 + 93.052 116.761 126.421 124.013 + 110.285 -65.697 126.905-134.814 + 94.128 79.739 180.000 180.000 + 125.780 -66.864 140.125-141.905 + 120.865-112.199 109.253-114.434 + 120.244-138.087 111.091-110.305 + 117.429-118.759 124.553-130.892 + 121.865 0.000 121.617 -80.987 + # 14 total E -8.70455E+01 rmsd from N 2.434 %NC 0.60 0 + 93.799 92.798 147.381 -15.500 + 91.404 72.528 144.463 -42.651 + 89.867 54.733 119.332 121.286 + 88.008 49.316 141.995 -92.655 + 88.654 48.901 120.830-128.232 + 89.295 47.263 150.920 9.735 + 90.333 46.858 137.871-166.722 + 92.014 78.863 134.376-132.728 + 90.065 -61.980 134.360-131.165 + 102.971 -68.694 180.000 180.000 + 98.444 -28.464 180.000 180.000 + 93.370 105.551 136.697-163.290 + 94.326 104.785 115.697 -76.584 + 118.177 -90.891 119.856 -75.154 + 95.114 80.275 180.000 180.000 + 131.514 -71.801 130.377 -93.173 + 119.097-105.135 116.093-122.514 + 118.389-137.166 108.826-108.892 + 117.968-118.585 122.395-130.669 + 121.998 0.000 121.652 -80.926 + # 15 total E -8.71517E+01 rmsd from N 3.066 %NC 0.53 0 + 119.137-116.821 110.327 -82.747 + 91.655 71.546 136.587 -39.066 + 91.810 43.521 128.929 120.974 + 90.997 48.619 143.323 -94.130 + 89.585 42.067 126.287-103.799 + 90.534 53.752 153.955 -25.158 + 90.468 42.207 134.257 172.967 + 91.482 70.976 103.560 -98.851 + 91.358 -63.212 131.369-133.273 + 112.226 -57.591 180.000 180.000 + 111.244 -50.461 180.000 180.000 + 93.198 86.100 102.485 -64.866 + 94.098 103.132 112.695 -76.746 + 120.157 -68.774 122.374 -81.362 + 94.806 82.179 180.000 180.000 + 127.437 -66.142 142.348-141.887 + 120.283-112.914 107.885-112.764 + 120.688-138.047 109.973-108.612 + 117.510-118.764 124.447-131.445 + 121.865 0.000 121.614 -80.988 + # 16 total E -8.73418E+01 rmsd from N 2.273 %NC 0.60 0 + 93.860 106.003 146.683 -10.880 + 91.487 74.991 136.772 -33.708 + 92.184 43.247 126.779 114.928 + 90.992 43.835 142.353 -93.836 + 89.926 45.338 116.764-116.892 + 90.660 51.010 167.404 -0.377 + 90.681 45.250 142.571-177.158 + 91.810 73.278 108.694-102.591 + 90.885 -66.333 127.858-139.178 + 104.274 -65.026 180.000 180.000 + 99.785 -31.245 180.000 180.000 + 92.784 103.041 134.377-160.803 + 94.189 106.265 112.734 -77.254 + 124.294 -91.593 120.710 -77.918 + 94.942 84.717 180.000 180.000 + 131.002 -74.851 132.053-107.224 + 120.447-117.727 104.198-106.246 + 103.591-166.807 101.743-101.909 + 116.875-118.695 128.668-140.448 + 121.761 0.000 121.638 -80.770 + # 17 total E -8.77081E+01 rmsd from N 2.990 %NC 0.60 0 + 118.824-152.720 111.706 -77.839 + 91.565 89.555 137.509 -11.316 + 90.838 44.358 134.446 113.777 + 90.181 47.019 145.516 -91.527 + 89.461 45.733 123.758-134.712 + 89.576 50.129 146.196 -12.188 + 90.222 43.567 141.406-160.180 + 91.751 74.707 133.293-133.417 + 90.630 -56.030 133.581-133.731 + 109.239 -71.017 180.000 180.000 + 101.606 -26.778 180.000 180.000 + 92.796 99.797 139.435-167.271 + 92.753 104.067 114.616 -78.317 + 120.944 -84.630 128.824-151.790 + 95.550 77.778 180.000 180.000 + 128.330 -80.443 144.868 -39.475 + 119.662-111.520 113.271-116.190 + 119.568-134.728 110.171-110.504 + 118.326-118.701 119.232-123.549 + 121.891 0.000 121.546 -81.074 + # 18 total E -8.69406E+01 rmsd from N 3.471 %NC 0.53 0 + 115.521 161.570 145.999 -18.999 + 91.586 87.333 139.335 -13.742 + 91.379 41.770 143.237 111.091 + 90.872 48.520 142.071 -91.010 + 89.596 44.373 119.918-132.111 + 89.474 60.932 140.379 -34.032 + 89.886 42.393 141.124 170.398 + 91.121 73.360 92.131 -77.676 + 91.322 -53.762 135.621-134.008 + 111.676 -67.374 180.000 180.000 + 101.987 -31.360 180.000 180.000 + 92.647 100.802 109.610 -89.413 + 93.301 102.602 112.413 -79.468 + 119.735 -73.808 130.750-155.264 + 95.403 82.749 180.000 180.000 + 127.201 -71.535 151.289 -27.920 + 119.772-109.882 107.158-107.528 + 119.809-137.744 108.952-108.529 + 117.600-118.816 123.949-132.103 + 121.865 0.000 121.628 -80.978 + # 19 total E -8.72269E+01 rmsd from N 2.409 %NC 0.60 0 + 93.927 125.861 145.787 -3.611 + 91.415 84.956 137.637 -32.472 + 91.644 46.086 123.799 100.419 + 90.186 43.054 150.618 -91.191 + 90.460 46.100 117.842-122.562 + 91.391 46.372 160.245 98.423 + 91.078 44.975 140.140-105.724 + 92.367 65.467 137.633-134.313 + 91.603 -85.926 133.299-125.668 + 107.503 -67.218 180.000 180.000 + 99.312 -28.323 180.000 180.000 + 93.168 103.720 143.038-171.386 + 93.488 100.690 114.771 -76.686 + 126.774 -99.775 117.280 -80.479 + 94.216 82.962 180.000 180.000 + 131.467 -64.826 128.064 -88.929 + 115.964-110.699 79.738 -93.297 + 116.931-142.379 111.866-114.061 + 116.353-118.045 132.702-145.509 + 121.654 0.000 121.571 -80.643 + # 20 total E -8.74989E+01 rmsd from N 2.336 %NC 0.67 0 + 93.925 122.252 144.755 -7.759 + 91.412 84.610 130.854 -20.343 + 91.464 41.062 131.890 108.041 + 90.604 47.938 146.939 -90.683 + 90.417 41.843 120.541-128.724 + 91.306 51.612 125.131 -3.421 + 91.002 35.728 147.830-132.823 + 92.618 62.351 132.582-133.293 + 92.646 -58.528 130.878-121.922 + 122.447-141.844 180.000 180.000 + 121.993 -29.460 180.000 180.000 + 92.733 66.881 136.434-163.885 + 92.503 66.563 111.946 -76.157 + 134.237 -97.941 114.784 -82.091 + 95.060 95.456 180.000 180.000 + 131.545 -61.868 160.568 -43.573 + 119.022-108.443 107.473-111.510 + 120.391-138.453 113.065-112.537 + 117.478-118.299 125.530-133.377 + 121.852 0.000 121.458 -81.040 + # 21 total E -8.77540E+01 rmsd from N 2.117 %NC 0.53 0 + 117.075-174.684 115.214 -81.355 + 91.620 89.219 131.685 -20.526 + 90.865 46.728 99.492 -87.988 + 89.785 43.635 148.299 -97.401 + 90.930 44.141 122.116-125.846 + 91.497 44.254 139.842 80.044 + 91.548 44.913 129.579-144.739 + 93.072 74.070 140.542-133.136 + 90.940 -68.459 141.768-139.218 + 105.945 -59.159 180.000 180.000 + 108.323 -62.190 180.000 180.000 + 92.675 77.387 136.758-164.820 + 93.418 101.376 113.089 -76.540 + 122.221 -84.355 123.966 -83.758 + 96.488 79.365 180.000 180.000 + 121.973 -78.706 145.579 -36.678 + 120.420-113.164 109.906-111.433 + 120.048-136.522 110.734-110.804 + 118.000-118.392 122.095-127.275 + 121.864 0.000 121.469 -81.065 + # 22 total E -8.72532E+01 rmsd from N 3.018 %NC 0.60 0 + 93.920 119.786 144.299 -10.229 + 91.597 86.717 137.344 -19.153 + 91.208 45.653 140.811 112.210 + 90.254 44.790 145.584 -94.411 + 89.131 48.753 121.742-123.627 + 89.534 58.622 155.461 -16.678 + 89.873 39.965 140.999-168.939 + 91.443 68.168 101.639-108.116 + 91.840 -64.306 134.260-121.513 + 114.928 -47.430 180.000 180.000 + 122.228 -68.213 180.000 180.000 + 93.377 69.180 109.853 -96.061 + 92.202 115.723 118.203 132.776 + 93.382 -55.549 126.151-158.265 + 97.146 81.646 180.000 180.000 + 128.553 -83.360 146.800 -27.726 + 120.953-106.628 117.759-120.786 + 120.038-136.265 110.057-109.238 + 118.075-118.785 120.796-127.286 + 121.892 0.000 121.583 -81.056 + # 23 total E -8.72471E+01 rmsd from N 2.692 %NC 0.60 0 + 93.849 94.113 146.651 -14.307 + 91.422 74.341 143.211-112.771 + 90.595 59.924 135.465 112.779 + 88.807 49.877 144.443 -96.950 + 89.116 46.276 120.770 -85.405 + 90.469 50.795 157.249 -3.279 + 90.625 42.498 134.366-162.746 + 91.966 75.261 103.486 -98.883 + 90.638 -61.822 128.366-142.774 + 105.577 -69.480 180.000 180.000 + 99.991 -28.017 180.000 180.000 + 93.376 104.233 136.937-163.461 + 94.857 96.227 114.126 -76.938 + 131.035 -84.276 130.107 -78.143 + 96.475 78.602 180.000 180.000 + 125.746 -80.502 139.482 -80.720 + 120.465-112.445 115.130-120.364 + 119.912-133.787 109.277-108.674 + 118.462-118.675 118.122-122.096 + 121.891 0.000 121.532 -81.081 + # 24 total E -8.74751E+01 rmsd from N 2.618 %NC 0.53 0 + 115.479 170.167 151.516 -14.112 + 91.614 77.242 138.598 -40.210 + 91.598 44.211 123.367 120.593 + 90.296 47.688 144.206 -92.535 + 89.803 44.418 119.945-122.991 + 90.874 45.766 151.351 -1.278 + 91.369 43.504 135.194-164.641 + 92.951 65.280 138.558-132.643 + 91.846 -62.046 120.073 -84.644 + 116.794 -73.433 180.000 180.000 + 118.308 -47.280 180.000 180.000 + 92.671 73.073 135.778-162.647 + 92.272 99.284 112.519 -76.282 + 127.504 -76.495 119.114 -86.492 + 95.431 76.460 180.000 180.000 + 127.385 -78.360 152.798-133.031 + 120.769-115.335 109.993-115.258 + 119.948-136.114 111.607-111.267 + 118.125-118.696 120.978-124.430 + 121.889 0.000 121.553 -81.066 + # 25 total E -8.70317E+01 rmsd from N 2.615 %NC 0.53 0 + 93.713 36.150 108.123 -80.305 + 91.540 69.537 137.789 -44.780 + 90.881 50.221 122.070 114.663 + 89.539 45.637 144.939 -90.544 + 89.830 44.426 119.059-119.441 + 90.226 51.734 158.649 40.747 + 90.235 42.407 139.139-165.343 + 91.874 70.604 132.065-133.636 + 90.799 -62.876 134.359-129.929 + 107.736 -67.922 180.000 180.000 + 102.037 -32.707 180.000 180.000 + 92.427 99.010 140.451-169.480 + 93.578 91.344 111.927 -78.934 + 119.220 -84.641 138.691-166.167 + 96.661 91.095 180.000 180.000 + 128.455 -81.776 146.368-130.806 + 121.551-115.091 109.560-113.066 + 119.260-136.137 112.395-113.180 + 118.141-118.672 120.997-124.361 + 121.886 0.000 121.548 -81.063 + # 26 total E -8.86803E+01 rmsd from N 2.308 %NC 0.53 0 + 115.869 -51.103 110.231 -81.845 + 91.768 79.676 130.702 -30.101 + 91.992 43.061 97.597 -80.845 + 91.232 43.848 148.029-100.406 + 90.053 42.785 119.875-111.983 + 90.971 52.788 164.665 10.394 + 90.448 45.845 131.822-165.495 + 91.621 74.473 107.604-102.897 + 90.421 -65.079 129.912-137.890 + 103.277 -66.222 180.000 180.000 + 98.732 -31.969 180.000 180.000 + 92.858 104.278 139.903-168.579 + 94.441 102.892 113.463 -77.150 + 122.532 -95.058 120.191 -77.439 + 94.783 80.750 180.000 180.000 + 130.787 -69.522 128.788 -95.159 + 118.866-107.639 110.579-115.161 + 118.613-138.913 110.377-111.233 + 117.305-118.159 126.517-135.439 + 121.811 0.000 121.486 -80.908 + # 27 total E -8.84376E+01 rmsd from N 2.913 %NC 0.53 0 + 93.710 36.864 108.353 -80.497 + 91.647 73.596 137.118 -39.701 + 91.728 44.940 126.547 120.631 + 90.680 46.766 145.456 -96.658 + 89.640 44.945 123.913-107.904 + 90.736 51.662 157.536 -7.505 + 90.588 44.136 137.243-163.189 + 91.796 74.434 105.854-101.042 + 90.589 -64.442 127.717-141.886 + 105.296 -66.775 180.000 180.000 + 98.544 -29.344 180.000 180.000 + 93.335 105.818 112.470-102.049 + 93.770 92.794 114.719 -76.947 + 123.678 -84.807 119.178 -78.265 + 94.852 87.790 180.000 180.000 + 132.034 -64.418 137.747-123.575 + 119.296-109.888 108.848-114.533 + 120.746-136.741 110.793-109.726 + 118.063-118.699 121.209-126.873 + 121.891 0.000 121.553 -81.070 + # 28 total E -8.78101E+01 rmsd from N 3.163 %NC 0.47 0 + 93.940 120.391 143.295 -9.787 + 91.597 89.256 136.488 -11.939 + 91.342 41.851 140.785 113.598 + 90.704 49.934 140.518 -89.886 + 89.681 43.718 121.257-135.145 + 89.650 56.417 134.500 -27.449 + 89.867 45.950 142.145 174.050 + 91.299 78.621 89.808 -72.509 + 90.582 -58.033 137.251-130.212 + 105.523 -66.998 180.000 180.000 + 98.719 -29.245 180.000 180.000 + 93.349 107.219 106.571 -90.072 + 93.762 103.792 115.013 -76.813 + 114.151 -78.671 117.917 -76.672 + 94.909 87.096 180.000 180.000 + 133.068 -63.198 144.239 -54.288 + 119.747-106.098 101.151-100.549 + 117.189-139.982 108.701-109.375 + 117.087-118.590 128.157-139.273 + 121.825 0.000 121.656 -80.841 + # 29 total E -8.82215E+01 rmsd from N 2.363 %NC 0.53 0 + 93.896 122.951 146.585 -7.888 + 91.504 84.535 135.537 -24.150 + 90.231 48.563 92.977 -82.629 + 90.132 41.003 154.241 -96.399 + 90.189 45.035 120.209-120.396 + 90.501 54.635 156.618 91.154 + 90.192 41.202 141.151-134.827 + 92.083 61.494 129.195-136.630 + 91.890 -71.041 140.074-123.003 + 112.542 -48.214 180.000 180.000 + 115.000 -72.083 180.000 180.000 + 92.665 68.902 145.767-177.487 + 93.300 119.888 115.285 -76.784 + 121.819 -84.580 129.147-148.531 + 95.730 69.025 180.000 180.000 + 118.735 -74.436 126.809 -52.503 + 119.775-154.030 110.678-111.529 + 122.596-108.320 125.752-127.957 + 118.509-118.361 114.635-118.035 + 121.866 0.000 121.444 -81.072 + # 30 total E -8.72518E+01 rmsd from N 3.024 %NC 0.60 0 + 93.710 37.378 108.280 -80.449 + 91.635 71.953 136.095 -41.693 + 91.787 45.706 126.655 120.492 + 90.761 45.953 146.057 -97.158 + 89.746 46.446 122.821-106.707 + 90.869 48.963 159.624 -3.921 + 90.922 49.010 136.332-152.141 + 92.449 73.774 110.672-102.943 + 91.493 -67.966 96.539 -72.598 + 108.985 -52.563 180.000 180.000 + 92.725 -35.830 180.000 180.000 + 96.102 136.678 109.183 -92.782 + 92.758 88.315 112.790 -76.936 + 135.776 -90.725 118.429 -82.286 + 94.364 88.272 180.000 180.000 + 127.527 -61.478 133.428-108.731 + 118.755-110.296 108.749-114.817 + 121.204-137.176 111.642-110.612 + 118.046-118.588 121.360-126.733 + 121.885 0.000 121.518 -81.077 + # 31 total E -8.80853E+01 rmsd from N 2.985 %NC 0.60 0 + 115.218 160.234 145.962 -21.675 + 91.565 88.462 137.353 -10.388 + 90.754 44.558 134.630 114.166 + 90.165 46.876 144.885 -92.465 + 89.466 45.784 123.684-134.393 + 89.588 50.114 146.302 -12.333 + 90.213 43.581 141.389-160.666 + 91.744 74.557 132.967-133.365 + 90.640 -56.107 133.517-133.639 + 109.306 -71.061 180.000 180.000 + 101.640 -26.719 180.000 180.000 + 92.797 99.790 139.443-167.257 + 92.754 104.104 114.623 -78.323 + 120.938 -84.640 128.910-152.010 + 95.561 77.721 180.000 180.000 + 128.340 -80.476 144.724 -39.429 + 119.642-111.469 113.395-116.336 + 119.578-134.665 110.150-110.471 + 118.338-118.701 119.140-123.433 + 121.891 0.000 121.545 -81.074 + # 32 total E -8.81161E+01 rmsd from N 2.300 %NC 0.60 0 + 93.957 124.639 143.717 -4.699 + 91.460 85.040 139.776 -23.000 + 91.436 41.557 126.522 119.920 + 90.527 47.063 150.734 -92.451 + 90.725 44.734 120.424-128.006 + 91.160 48.378 147.160 92.852 + 91.176 40.497 138.171-126.712 + 93.302 70.207 136.225-135.287 + 92.020 -72.829 142.041-133.510 + 109.612 -45.087 180.000 180.000 + 115.038 -72.131 180.000 180.000 + 93.609 66.042 131.725-157.718 + 93.260 122.802 114.885 -76.962 + 117.716 -84.596 125.949-144.198 + 95.365 69.870 180.000 180.000 + 120.346 -82.560 127.658 -49.882 + 123.899-163.915 109.844-108.241 + 119.059-113.233 117.020-119.052 + 117.307-118.580 126.146-133.121 + 121.818 0.000 121.578 -80.916 + # 33 total E -8.81204E+01 rmsd from N 2.915 %NC 0.60 0 + 119.109-118.147 110.721 -83.072 + 91.667 71.915 137.752 -38.449 + 91.719 44.780 126.498 120.871 + 90.679 46.702 145.655 -96.841 + 89.635 44.984 123.720-108.200 + 90.718 51.684 157.537 -7.710 + 90.577 44.035 137.177-162.908 + 91.800 74.462 105.806-101.041 + 90.583 -64.379 127.811-141.862 + 105.302 -66.801 180.000 180.000 + 98.533 -29.346 180.000 180.000 + 93.340 105.850 112.556-102.134 + 93.782 92.842 114.729 -76.947 + 123.705 -84.747 119.304 -78.216 + 94.875 87.705 180.000 180.000 + 131.968 -64.573 137.622-123.559 + 119.288-109.832 108.950-114.631 + 120.743-136.720 110.771-109.702 + 118.066-118.700 121.167-126.808 + 121.891 0.000 121.552 -81.070 + # 34 total E -8.71568E+01 rmsd from N 2.354 %NC 0.60 0 + 119.750-121.686 106.763 -76.806 + 91.362 77.642 134.788 -24.487 + 93.504 35.966 176.436-178.790 + 92.144 49.212 140.755 -99.749 + 90.452 40.452 114.282-123.139 + 91.223 51.648 164.300 18.174 + 90.558 45.150 134.231-174.158 + 91.805 75.522 109.885 -99.597 + 90.246 -65.678 130.594-137.945 + 102.984 -66.615 180.000 180.000 + 98.216 -31.282 180.000 180.000 + 93.034 104.679 139.194-167.149 + 94.421 102.148 114.206 -76.968 + 122.806 -95.249 119.862 -77.439 + 94.721 80.951 180.000 180.000 + 130.720 -68.585 129.330 -93.716 + 118.852-107.098 109.774-114.159 + 118.251-141.144 110.550-111.692 + 118.362-108.532 126.947-135.522 + 120.746 0.000 119.035 -80.270 + # 35 total E -8.75539E+01 rmsd from N 2.091 %NC 0.47 0 + 117.414 -92.139 147.271 -32.348 + 91.521 80.018 128.112 -22.042 + 91.480 43.968 97.448 -86.489 + 90.630 44.426 149.327 -95.267 + 90.277 43.243 117.820-122.166 + 91.106 48.303 155.396 32.910 + 90.794 44.373 131.244-153.651 + 92.037 71.487 137.196-133.219 + 90.856 -65.902 135.177-124.079 + 109.832 -67.116 180.000 180.000 + 112.368 -55.932 180.000 180.000 + 92.489 76.861 139.957-169.266 + 92.709 108.049 112.926 -76.401 + 123.936 -87.301 117.515 -84.712 + 94.757 73.881 180.000 180.000 + 126.830 -73.648 139.874 -63.235 + 119.707-111.299 108.187-110.877 + 119.310-137.625 111.941-112.872 + 117.530-118.266 124.935-131.753 + 121.832 0.000 121.478 -80.988 + # 36 total E -8.77764E+01 rmsd from N 2.634 %NC 0.47 0 + 93.708 39.089 108.754 -80.852 + 91.805 79.402 134.035 -30.081 + 92.548 37.538 133.576 119.973 + 91.843 51.784 141.505 -89.986 + 90.265 39.747 119.263-125.228 + 90.944 53.807 138.380 -35.851 + 90.283 45.399 140.754-179.688 + 91.344 75.227 95.163 -74.296 + 90.206 -63.089 135.330-136.174 + 106.884 -70.467 180.000 180.000 + 100.339 -26.437 180.000 180.000 + 92.932 101.620 135.219-160.560 + 93.430 84.061 114.717 -76.651 + 95.584 -99.029 109.249 -83.105 + 94.045 136.289 180.000 180.000 + 132.563 -75.036 149.550 173.510 + 117.000-109.880 109.317-116.622 + 120.876-138.168 110.808-109.051 + 117.528-118.503 125.293-132.864 + 121.853 0.000 121.603 -80.974 + # 37 total E -8.81055E+01 rmsd from N 2.787 %NC 0.60 0 + 93.878 112.546 145.944 -11.221 + 91.407 79.252 125.623 -26.158 + 92.501 36.292 147.233 114.664 + 92.170 55.160 138.953 -86.557 + 90.368 38.793 120.780-128.903 + 90.751 57.222 119.497 -42.627 + 89.869 46.391 152.688-174.288 + 90.907 69.805 89.906 -73.081 + 90.396 -69.404 138.062-127.712 + 112.481 -75.339 180.000 180.000 + 102.169 -21.180 180.000 180.000 + 92.937 98.785 138.563-163.445 + 92.958 71.551 115.378 -76.348 + 94.251 -95.508 108.847 -85.305 + 93.875 144.435 180.000 180.000 + 137.489 -78.556 147.439 157.663 + 115.758-103.636 112.895-122.662 + 118.557-142.099 107.025-105.448 + 116.825-118.444 131.347-145.139 + 121.718 0.000 121.610 -80.710 + # 38 total E -8.72861E+01 rmsd from N 3.207 %NC 0.60 0 + 93.966 121.267 142.031 -8.513 + 91.588 89.652 138.675 -11.364 + 91.068 43.039 144.696 108.988 + 90.644 47.718 143.566 -92.318 + 89.624 46.969 120.511-134.595 + 89.536 59.174 138.704 -29.557 + 89.742 44.568 142.995-169.047 + 91.186 75.993 91.456 -75.622 + 90.737 -57.707 135.783-134.435 + 107.149 -69.527 180.000 180.000 + 100.282 -29.735 180.000 180.000 + 93.163 106.355 112.543-101.641 + 94.099 92.957 113.140 -77.435 + 121.858 -75.559 125.373 -76.477 + 96.175 86.801 180.000 180.000 + 129.934 -73.373 150.500 -28.071 + 119.506-108.604 107.599-107.129 + 120.232-136.624 108.833-108.056 + 117.946-118.789 121.808-129.146 + 121.888 0.000 121.594 -81.042 + # 39 total E -8.79591E+01 rmsd from N 2.617 %NC 0.60 0 + 93.854 96.632 146.508 -13.378 + 91.392 68.930 137.313 -44.157 + 90.768 50.333 122.492 114.085 + 89.441 45.748 144.761 -89.343 + 89.770 44.471 118.198-121.716 + 90.215 51.642 158.327 40.923 + 90.239 42.465 139.200-165.630 + 91.872 70.675 132.301-133.611 + 90.786 -62.880 134.367-129.982 + 107.714 -67.965 180.000 180.000 + 102.012 -32.663 180.000 180.000 + 92.428 99.000 140.430-169.451 + 93.593 91.106 111.933 -78.927 + 119.253 -84.617 138.759-166.042 + 96.672 91.266 180.000 180.000 + 128.437 -81.697 146.919-130.464 + 121.565-115.151 109.482-112.973 + 119.270-136.214 112.347-113.106 + 118.089-118.684 121.313-124.840 + 121.885 0.000 121.552 -81.060 + # 40 total E -8.81755E+01 rmsd from N 3.118 %NC 0.60 0 + 93.868 101.780 146.137 -11.056 + 91.431 70.614 135.348 -41.821 + 91.791 43.755 128.805 121.062 + 90.977 49.282 142.963 -92.880 + 89.711 41.639 124.527-110.438 + 90.853 52.782 152.463 -25.609 + 90.659 41.087 134.813 177.756 + 91.743 69.933 103.510 -96.391 + 91.759 -65.386 132.992-124.988 + 115.853 -46.232 180.000 180.000 + 119.053 -58.734 180.000 180.000 + 93.556 72.056 103.911 -75.631 + 93.069 116.673 126.441 124.079 + 110.509 -65.771 127.057-134.860 + 94.130 79.672 180.000 180.000 + 125.648 -66.679 140.440-141.351 + 120.906-112.194 109.272-114.486 + 120.234-138.193 111.023-110.195 + 117.401-118.801 124.736-131.188 + 121.866 0.000 121.622 -80.983 + # 41 total E -8.80465E+01 rmsd from N 2.454 %NC 0.53 0 + 93.997 125.465 141.732 -3.342 + 91.443 90.409 137.006 -13.485 + 90.235 48.388 128.737 112.157 + 89.358 43.615 149.428 -93.028 + 89.684 48.635 123.705-133.183 + 89.847 49.161 155.842 32.682 + 90.398 42.934 137.286-138.103 + 92.396 73.106 131.691-135.646 + 91.202 -65.914 137.931-117.775 + 108.205 -56.274 180.000 180.000 + 115.729 -52.164 180.000 180.000 + 93.216 83.030 138.831-166.076 + 92.637 111.217 112.624 -76.756 + 93.733 -72.254 134.848-159.598 + 96.982 83.544 180.000 180.000 + 132.103 -89.129 139.059 -37.153 + 120.729-110.469 119.016-122.835 + 119.585-117.414 111.673-111.940 + 118.177-118.648 118.385-122.576 + 121.892 0.000 121.523 -81.088 + # 42 total E -8.71937E+01 rmsd from N 2.074 %NC 0.53 0 + 93.847 107.695 147.315 -12.774 + 91.437 80.751 139.290 -32.126 + 90.633 49.348 127.194 95.119 + 89.237 46.745 143.614 -89.599 + 89.557 45.105 119.577-125.804 + 90.150 54.104 118.890 26.260 + 89.882 40.070 149.606-162.857 + 91.850 67.486 129.312-134.793 + 91.841 -56.363 137.092-124.192 + 117.457 -86.869 180.000 180.000 + 117.714 -60.861 180.000 180.000 + 92.512 69.002 137.408-167.479 + 94.535 87.728 112.476 -75.665 + 123.228 -79.112 151.953 -38.953 + 96.286 83.886 180.000 180.000 + 133.362 -68.905 157.478 -43.916 + 122.001-139.101 103.969-103.420 + 119.403-112.260 113.639-114.710 + 117.007-118.525 129.850-139.313 + 121.770 0.000 121.600 -80.808 + # 43 total E -8.80708E+01 rmsd from N 2.775 %NC 0.67 0 + 93.844 91.902 146.549 -15.916 + 91.513 67.943 134.705 -55.557 + 91.630 60.256 124.987 117.914 + 89.749 50.059 144.421 -96.942 + 89.655 43.631 119.166-115.136 + 91.244 51.277 161.886 0.542 + 90.758 39.880 130.366-171.421 + 92.227 73.530 103.705 -96.586 + 90.996 -61.665 130.686-136.153 + 107.731 -68.853 180.000 180.000 + 101.295 -27.924 180.000 180.000 + 93.240 99.387 133.358-158.269 + 93.864 108.579 114.049 -78.974 + 131.172 -96.477 134.169-155.763 + 95.299 81.275 180.000 180.000 + 125.555 -66.628 132.860 -80.871 + 119.527-111.918 110.325-116.186 + 120.027-135.990 111.563-111.063 + 118.224-118.672 120.374-124.457 + 121.888 0.000 121.542 -81.071 + # 44 total E -8.73737E+01 rmsd from N 2.901 %NC 0.60 0 + 115.447 160.875 145.604 -20.405 + 91.561 88.252 137.465 -10.669 + 91.275 42.549 140.474 112.626 + 90.592 48.676 143.567 -92.761 + 89.690 45.042 120.936-134.116 + 89.717 56.845 138.466 -26.042 + 89.761 46.235 143.871-168.538 + 90.974 75.841 91.444 -74.135 + 90.477 -58.392 135.322-133.143 + 107.638 -73.112 180.000 180.000 + 101.857 -27.478 180.000 180.000 + 92.976 103.008 137.691-164.472 + 93.874 91.836 112.965 -77.090 + 125.924 -78.308 127.830 -78.985 + 96.724 82.687 180.000 180.000 + 129.388 -84.914 148.793 -26.832 + 120.205-112.502 112.255-113.831 + 119.873-135.240 109.312-109.143 + 118.231-118.738 120.041-124.527 + 121.878 0.000 121.547 -81.055 + # 45 total E -8.76327E+01 rmsd from N 2.149 %NC 0.60 0 + 93.875 123.025 147.773 -8.782 + 91.408 86.591 127.278 -23.244 + 90.974 48.904 95.532 -86.288 + 90.413 41.076 149.151-101.999 + 90.581 45.746 117.895 -32.685 + 91.313 45.235 136.328 85.584 + 91.142 47.620 130.457-142.815 + 92.979 73.043 138.626-138.539 + 91.553 -72.383 142.188 -18.441 + 104.705 -53.034 180.000 180.000 + 110.753 -66.828 180.000 180.000 + 93.023 76.820 137.431-165.796 + 93.132 109.982 114.016 -76.980 + 120.672 -94.331 121.620-129.682 + 94.832 73.467 180.000 180.000 + 126.173 -62.935 138.512 -67.543 + 120.327-153.651 106.494-108.345 + 124.978-109.949 115.992-114.680 + 118.022-118.520 120.258-125.471 + 121.884 0.000 121.484 -81.095 + # 46 total E -8.86348E+01 rmsd from N 2.622 %NC 0.40 0 + 93.710 38.364 108.470 -80.566 + 91.647 75.565 139.854 -36.611 + 91.344 45.386 122.379 119.942 + 90.225 45.752 143.276 -92.533 + 89.731 44.740 119.126-121.226 + 90.432 47.511 157.586 15.185 + 90.748 46.527 135.135-174.693 + 92.015 75.836 136.390-128.641 + 90.322 -64.432 130.075-138.196 + 103.897 -68.080 180.000 180.000 + 99.054 -29.470 180.000 180.000 + 93.101 104.036 137.198-164.056 + 93.990 96.244 114.350 -76.828 + 124.014 -91.518 118.763 -77.663 + 94.698 84.346 180.000 180.000 + 131.884 -64.035 136.927-106.716 + 120.723-135.163 105.373-108.682 + 118.856-113.619 109.064-109.037 + 116.928-118.506 130.699-141.457 + 121.745 0.000 121.616 -80.751 + # 47 total E -8.81315E+01 rmsd from N 3.123 %NC 0.60 0 + 93.874 105.912 146.107 -10.063 + 91.464 72.578 133.706 -38.693 + 92.393 40.053 130.810 120.888 + 91.716 50.069 142.465 -90.867 + 90.003 40.272 122.637-114.887 + 91.163 53.687 146.632 -33.943 + 90.716 41.167 138.228 177.915 + 91.704 69.088 103.050 -93.801 + 92.040 -66.674 133.219-127.268 + 118.462 -40.294 180.000 180.000 + 121.033 -62.571 180.000 180.000 + 93.797 66.016 104.540 -73.480 + 93.050 123.165 131.712 131.975 + 96.175 -65.459 120.598-136.370 + 94.562 86.762 180.000 180.000 + 128.138 -65.519 137.205-150.125 + 120.645-113.668 108.185-113.504 + 120.483-138.267 111.555-110.848 + 117.391-118.779 124.868-131.189 + 121.863 0.000 121.616 -80.982 + # 48 total E -8.84696E+01 rmsd from N 2.901 %NC 0.60 0 + 119.109-113.130 109.916 -82.698 + 91.587 69.297 137.854 -43.601 + 91.980 43.780 123.823 123.238 + 90.900 48.091 144.259 -95.727 + 89.788 42.455 122.821-111.847 + 90.934 51.257 156.979 -15.614 + 90.643 42.681 136.221-173.920 + 91.690 72.423 105.514 -97.566 + 90.704 -62.367 129.423-138.507 + 108.767 -69.364 180.000 180.000 + 101.252 -26.466 180.000 180.000 + 92.949 99.309 136.414-162.198 + 92.707 99.443 114.338 -78.011 + 124.968 -88.215 126.506-140.003 + 94.845 84.064 180.000 180.000 + 129.030 -75.388 132.553-133.491 + 120.630-114.638 110.554-116.433 + 119.709-136.165 109.566-109.072 + 118.012-118.750 121.611-126.132 + 121.890 0.000 121.574 -81.057 + # 49 total E -8.86290E+01 rmsd from N 2.614 %NC 0.47 0 + 115.370 169.411 151.606 -14.707 + 91.630 77.908 139.272 -38.477 + 91.461 45.249 122.054 119.742 + 90.246 45.909 143.988 -91.897 + 89.725 44.564 119.071-121.419 + 90.432 47.616 157.501 15.689 + 90.760 46.647 135.169-174.368 + 92.014 75.960 136.701-128.493 + 90.310 -64.414 130.096-138.317 + 103.780 -68.004 180.000 180.000 + 99.010 -29.590 180.000 180.000 + 93.094 104.038 137.212-164.123 + 93.986 96.384 114.322 -76.838 + 123.940 -91.656 118.632 -77.733 + 94.664 84.220 180.000 180.000 + 131.908 -63.754 136.801-106.173 + 120.740-135.629 105.260-108.500 + 118.876-113.494 109.100-109.090 + 116.933-118.509 130.641-141.339 + 121.746 0.000 121.616 -80.754 + # 50 total E -8.78679E+01 rmsd from N 3.069 %NC 0.53 0 + 93.854 100.404 146.869 -12.016 + 91.435 72.065 136.751 -38.934 + 91.259 45.014 128.088 120.440 + 90.428 47.867 141.904 -90.498 + 89.509 43.789 119.765-123.023 + 90.270 48.112 155.065 -14.035 + 91.065 43.817 133.315 178.572 + 92.583 64.998 136.554-131.930 + 92.057 -61.871 121.007 -86.660 + 117.628 -53.372 180.000 180.000 + 116.847 -55.643 180.000 180.000 + 93.116 75.543 101.057 -62.208 + 92.965 112.568 114.077 -76.676 + 115.794 -70.109 126.283-134.426 + 94.017 79.583 180.000 180.000 + 125.328 -64.478 139.791-137.546 + 120.884-112.395 108.177-113.030 + 120.468-138.021 110.566-109.483 + 117.481-118.778 124.396-131.038 + 121.863 0.000 121.600 -80.991 + # 51 total E -8.80962E+01 rmsd from N 2.691 %NC 0.60 0 + 93.985 124.928 142.254 -4.373 + 91.473 90.626 137.900 -14.393 + 90.304 47.807 128.542 111.886 + 89.263 44.392 147.292 -91.609 + 89.406 47.718 123.833-134.089 + 89.291 51.463 160.391 33.745 + 90.099 41.873 139.372-155.104 + 92.164 73.959 129.571-134.105 + 90.914 -58.798 135.216-132.856 + 105.835 -67.727 180.000 180.000 + 100.450 -32.815 180.000 180.000 + 92.615 102.384 139.598-169.096 + 92.728 99.110 113.426 -79.107 + 110.395 -80.640 131.436-171.156 + 97.015 85.624 180.000 180.000 + 129.616 -88.009 141.233 -34.663 + 120.884-109.489 117.864-121.298 + 119.617-133.317 111.515-111.715 + 118.753-118.565 116.181-118.778 + 121.874 0.000 121.497 -81.068 + # 52 total E -8.74906E+01 rmsd from N 1.811 %NC 0.60 0 + 93.926 123.918 145.185 -6.537 + 91.514 87.452 137.456 -23.334 + 91.169 45.164 124.543 110.928 + 89.985 45.208 146.108 -91.173 + 89.986 45.660 120.976-126.512 + 90.260 47.558 161.286 35.109 + 90.686 45.237 141.617-149.848 + 92.055 72.014 136.361-133.736 + 90.645 -68.751 135.954-118.346 + 106.997 -60.493 180.000 180.000 + 112.083 -53.127 180.000 180.000 + 92.538 81.030 132.811-159.417 + 93.691 129.460 112.655 -76.620 + 114.813 -79.644 118.897 -80.790 + 94.539 65.617 180.000 180.000 + 126.571 -87.173 112.602 -93.599 + 119.175-107.506 120.745-128.076 + 118.132-136.348 109.254-109.917 + 117.961-118.758 121.889-127.359 + 121.881 0.000 121.588 -81.032 + # 53 total E -8.73823E+01 rmsd from N 3.294 %NC 0.53 0 + 93.974 122.858 142.146 -7.017 + 91.539 88.231 138.319 -14.355 + 91.057 43.796 140.373 110.121 + 90.625 45.398 147.514 -93.681 + 89.835 49.674 121.894-129.357 + 90.441 46.359 143.656 -20.146 + 90.778 45.281 136.272-128.080 + 92.723 76.837 133.986-128.339 + 91.408 -62.325 102.905 -75.177 + 111.488 -56.973 180.000 180.000 + 94.067 -26.897 180.000 180.000 + 99.091 141.319 129.949-147.883 + 93.657 84.280 113.832 -78.354 + 133.610 -92.283 126.679 -78.999 + 95.723 91.785 180.000 180.000 + 129.430 -73.723 147.847 -38.511 + 118.927-109.311 111.338-113.590 + 120.247-135.500 108.986-108.441 + 118.170-118.753 120.198-126.836 + 121.898 0.000 121.565 -81.076 + # 54 total E -8.74609E+01 rmsd from N 2.170 %NC 0.60 0 + 93.868 101.240 146.078 -11.319 + 91.371 71.675 138.816 -42.839 + 91.570 44.894 135.065 113.654 + 90.468 49.436 142.524 -92.178 + 89.874 41.943 121.578-121.210 + 90.740 54.452 154.201-101.872 + 90.317 40.665 140.520-176.251 + 91.992 71.162 107.178-100.124 + 90.919 -66.061 132.651-130.761 + 105.972 -64.241 180.000 180.000 + 99.760 -29.489 180.000 180.000 + 92.774 103.829 135.889-162.953 + 93.550 117.294 114.036 -76.833 + 116.607 -87.108 116.977 -80.027 + 95.248 72.384 180.000 180.000 + 131.336 -86.965 119.522-105.068 + 119.573-105.983 117.814-123.793 + 115.133-140.299 108.867-110.809 + 116.979-118.554 129.078-140.310 + 121.756 0.000 121.636 -80.767 + # 55 total E -8.71781E+01 rmsd from N 2.460 %NC 0.47 0 + 93.703 41.833 109.243 -81.362 + 91.960 95.179 138.257 -16.975 + 90.638 48.243 127.432 114.639 + 89.553 43.274 150.035 -93.087 + 89.786 48.498 124.363-133.577 + 89.924 49.251 156.640 33.553 + 90.400 42.738 136.872-138.565 + 92.395 72.657 131.678-135.641 + 91.213 -66.337 137.830-117.364 + 108.321 -56.046 180.000 180.000 + 115.947 -52.597 180.000 180.000 + 93.220 82.680 139.022-166.342 + 92.635 111.416 112.666 -76.742 + 93.770 -72.189 134.870-159.101 + 96.977 83.359 180.000 180.000 + 131.998 -89.230 138.762 -36.899 + 120.688-110.503 119.307-123.209 + 119.632-117.002 111.714-111.976 + 118.221-118.630 117.922-121.893 + 121.880 0.000 121.519 -81.079 + # 56 total E -8.77498E+01 rmsd from N 2.436 %NC 0.53 0 + 93.859 101.382 146.621 -11.555 + 91.413 71.975 138.251 -37.985 + 90.826 49.043 123.617 113.975 + 89.605 44.691 147.186 -91.881 + 89.993 46.022 117.602-121.727 + 90.839 48.802 152.942 32.177 + 90.548 41.888 138.528-141.667 + 92.149 68.121 133.453-134.799 + 91.499 -73.154 135.740-114.798 + 113.784 -47.648 180.000 180.000 + 125.557 -63.683 180.000 180.000 + 93.679 62.826 139.039-166.218 + 92.889 108.458 115.197 -76.557 + 94.902 -72.431 125.275-157.262 + 97.241 87.967 180.000 180.000 + 130.833 -82.815 157.508-139.308 + 121.743-115.323 108.515-111.352 + 119.597-134.878 114.162-115.486 + 118.762-118.520 117.091-118.323 + 121.832 0.000 121.470 -81.026 + # 57 total E -8.81756E+01 rmsd from N 2.118 %NC 0.47 0 + 93.709 59.121 110.156 -80.819 + 91.654 89.162 131.657 -19.925 + 90.937 46.729 99.744 -89.130 + 89.800 43.871 148.420 -97.365 + 90.928 44.044 122.477-125.890 + 91.493 44.369 139.993 80.123 + 91.541 44.804 129.639-144.719 + 93.075 74.072 140.553-133.160 + 90.935 -68.433 141.775-139.217 + 105.944 -59.195 180.000 180.000 + 108.298 -62.187 180.000 180.000 + 92.674 77.429 136.784-164.856 + 93.422 101.284 113.084 -76.539 + 122.248 -84.360 123.991 -83.779 + 96.491 79.399 180.000 180.000 + 121.992 -78.711 145.696 -36.442 + 120.424-113.171 109.879-111.381 + 120.064-136.561 110.731-110.796 + 117.985-118.388 122.186-127.392 + 121.863 0.000 121.468 -81.064 + # 58 total E -8.74470E+01 rmsd from N 3.396 %NC 0.60 0 + 93.943 119.901 142.918 -9.900 + 91.615 88.569 138.644 -13.861 + 91.279 42.625 145.669 108.717 + 90.853 47.653 142.045 -89.881 + 89.664 44.836 121.955-130.020 + 89.834 53.579 137.192 -30.877 + 90.345 42.147 144.368-172.732 + 91.759 71.477 109.971-102.047 + 92.138 -62.195 135.901-124.375 + 118.486 -39.823 180.000 180.000 + 120.513 -61.117 180.000 180.000 + 93.385 72.119 106.363 -81.187 + 92.940 122.833 130.541 137.053 + 95.120 -61.323 124.567-147.857 + 95.617 85.335 180.000 180.000 + 127.656 -73.878 152.644 -21.228 + 120.336-108.588 108.974-109.291 + 119.556-138.113 111.006-111.401 + 117.455-118.773 124.792-132.699 + 121.848 0.000 121.632 -80.954 + # 59 total E -8.73173E+01 rmsd from N 2.422 %NC 0.60 0 + 93.847 89.533 146.198 -16.641 + 91.506 68.467 130.893 -61.929 + 91.344 65.359 130.785 106.042 + 89.362 47.333 145.166 -89.085 + 89.770 44.714 114.744-120.583 + 90.423 53.858 158.775 45.078 + 90.193 42.280 138.173-165.402 + 91.981 69.653 130.587-134.300 + 91.064 -63.316 136.075-127.739 + 107.774 -67.925 180.000 180.000 + 101.328 -32.434 180.000 180.000 + 92.402 100.553 141.219-170.544 + 94.141 91.160 112.492 -78.986 + 114.242 -90.553 138.212-177.772 + 97.070 96.636 180.000 180.000 + 128.251 -76.271 141.976 -63.835 + 121.449-118.976 106.300-108.476 + 119.468-135.485 112.789-113.778 + 118.302-118.636 120.047-123.009 + 121.892 0.000 121.526 -81.084 + # 60 total E -8.71842E+01 rmsd from N 2.378 %NC 0.47 0 + 93.711 54.188 109.460 -80.509 + 91.657 86.246 135.700 -24.954 + 90.537 48.534 92.569 -84.736 + 90.150 41.272 155.686 -96.204 + 90.107 44.968 120.952-119.813 + 90.490 54.714 156.503 91.118 + 90.210 41.164 141.087-134.084 + 92.096 61.574 129.473-136.993 + 91.902 -71.076 140.052-123.512 + 112.551 -48.014 180.000 180.000 + 114.994 -72.286 180.000 180.000 + 92.701 68.631 145.557-177.211 + 93.319 120.004 115.291 -76.783 + 121.759 -84.478 129.060-148.326 + 95.692 68.867 180.000 180.000 + 118.912 -74.871 126.917 -52.274 + 120.000-155.823 110.653-111.351 + 122.770-108.584 124.433-126.169 + 118.504-118.373 114.757-118.139 + 121.856 0.000 121.439 -81.065 + # 61 total E -8.73561E+01 rmsd from N 2.557 %NC 0.40 0 + 93.706 25.815 107.541 -80.954 + 91.527 71.460 142.056 -52.588 + 91.617 41.070 79.284 -91.963 + 91.726 52.226 147.975 -95.466 + 90.012 41.070 123.247-121.782 + 90.931 59.748 131.670 -91.422 + 89.875 39.630 130.519-171.503 + 92.165 68.462 103.849-101.231 + 91.203 -64.535 138.775-138.922 + 108.518 -66.113 180.000 180.000 + 100.042 -28.716 180.000 180.000 + 92.884 104.778 143.420-172.984 + 92.635 101.319 114.329 -76.692 + 121.729 -87.879 118.013 -84.347 + 95.678 81.984 180.000 180.000 + 132.671 -79.360 125.032-117.236 + 119.382-106.332 119.728-127.843 + 119.147-136.876 106.744-106.339 + 117.974-118.765 121.811-125.910 + 121.900 0.000 121.570 -81.079 + # 62 total E -8.73250E+01 rmsd from N 2.311 %NC 0.53 0 + 93.707 38.715 108.409 -80.804 + 91.840 87.116 141.039 -24.659 + 91.687 41.404 125.152 121.784 + 90.687 46.797 151.060 -93.168 + 90.786 44.500 120.705-127.224 + 91.241 48.417 146.686 93.426 + 91.191 40.519 138.121-126.451 + 93.297 69.920 136.310-135.341 + 92.029 -73.058 142.033-133.927 + 109.659 -44.853 180.000 180.000 + 114.918 -72.397 180.000 180.000 + 93.612 65.841 131.930-158.065 + 93.268 122.831 114.924 -76.949 + 117.964 -84.304 125.910-144.234 + 95.349 69.790 180.000 180.000 + 120.220 -82.589 127.670 -49.544 + 123.943-164.108 109.696-107.946 + 119.112-113.166 117.196-119.297 + 117.343-118.591 125.767-132.440 + 121.825 0.000 121.576 -80.930 + # 63 total E -8.76239E+01 rmsd from N 2.629 %NC 0.60 0 + 94.002 125.352 141.405 -3.350 + 91.432 90.429 136.523 -12.383 + 90.212 48.775 130.970 110.188 + 89.481 43.187 150.267 -94.219 + 89.718 49.003 123.679-133.024 + 90.089 49.355 154.365 26.268 + 90.464 41.575 136.808-133.035 + 92.504 72.526 130.585-135.431 + 91.713 -68.324 136.819-118.250 + 111.479 -47.532 180.000 180.000 + 121.616 -64.912 180.000 180.000 + 94.168 69.522 135.591-157.918 + 91.999 114.482 123.297 140.275 + 92.815 -61.811 124.184-155.305 + 96.792 77.524 180.000 180.000 + 129.947 -90.155 141.810 -32.000 + 120.535-108.461 115.050-116.541 + 119.788-131.705 118.014-120.472 + 119.063-118.371 113.620-114.861 + 121.838 0.000 121.447 -81.025 + # 64 total E -8.71328E+01 rmsd from N 2.678 %NC 0.60 0 + 114.887 159.786 146.709 -23.616 + 91.616 88.015 139.016 -12.949 + 90.360 47.351 127.833 113.497 + 89.326 44.203 147.338 -92.441 + 89.465 47.639 123.491-132.418 + 89.332 51.647 161.077 33.640 + 90.087 41.658 139.062-155.294 + 92.174 73.764 129.213-133.986 + 90.937 -58.861 135.192-132.669 + 105.886 -67.724 180.000 180.000 + 100.457 -32.841 180.000 180.000 + 92.621 102.468 139.700-169.241 + 92.727 99.524 113.427 -79.116 + 110.348 -80.526 131.448-171.714 + 97.041 85.126 180.000 180.000 + 129.640 -88.143 140.497 -34.559 + 120.792-109.291 118.527-122.172 + 119.659-132.838 111.440-111.585 + 118.790-118.566 115.779-118.273 + 121.872 0.000 121.493 -81.066 + # 65 total E -8.79378E+01 rmsd from N 3.182 %NC 0.40 0 + 93.929 120.590 143.863 -9.867 + 91.583 89.938 135.739 -13.165 + 90.950 44.051 136.498 111.958 + 90.349 47.394 140.317 -88.434 + 89.533 44.461 122.938-134.195 + 89.615 50.806 138.931 -13.188 + 90.066 46.140 139.539 166.732 + 91.704 79.180 134.410-132.445 + 90.509 -57.602 135.672-130.486 + 105.607 -67.083 180.000 180.000 + 98.414 -30.055 180.000 180.000 + 93.371 107.255 105.578 -81.495 + 94.171 107.462 114.804 -76.896 + 114.347 -78.617 120.094 -75.751 + 95.061 87.779 180.000 180.000 + 133.968 -63.381 142.253 -65.328 + 115.690-106.287 85.512 -92.744 + 117.294-139.128 109.098-109.452 + 117.135-118.705 127.354-137.237 + 121.807 0.000 121.617 -80.868 + # 66 total E -8.81325E+01 rmsd from N 3.032 %NC 0.67 0 + 93.868 102.415 146.220 -10.935 + 91.435 70.406 135.684 -40.714 + 91.616 46.003 127.353 120.080 + 90.652 45.849 145.722 -95.989 + 89.702 46.698 120.917-112.195 + 90.841 48.747 159.445 -3.416 + 90.912 49.042 136.301-152.292 + 92.467 73.824 111.570-103.146 + 91.505 -67.940 96.513 -72.660 + 109.007 -52.509 180.000 180.000 + 92.743 -35.755 180.000 180.000 + 96.137 136.625 109.159 -92.759 + 92.775 88.305 112.785 -76.947 + 135.687 -90.706 118.436 -82.077 + 94.348 88.331 180.000 180.000 + 127.540 -61.395 133.808-108.423 + 118.786-110.271 108.755-114.867 + 121.167-137.219 111.587-110.536 + 118.020-118.593 121.534-127.038 + 121.884 0.000 121.522 -81.074 + # 67 total E -8.83058E+01 rmsd from N 2.624 %NC 0.47 0 + 119.107-122.512 111.376 -83.125 + 91.665 74.242 140.355 -35.965 + 91.351 45.185 122.279 120.279 + 90.219 45.731 143.566 -92.529 + 89.719 44.759 118.878-121.455 + 90.412 47.540 157.697 14.701 + 90.741 46.388 135.109-174.229 + 92.018 75.811 136.353-128.725 + 90.321 -64.354 130.065-138.249 + 103.929 -68.083 180.000 180.000 + 99.058 -29.450 180.000 180.000 + 93.103 104.031 137.168-164.021 + 94.002 96.285 114.355 -76.828 + 124.059 -91.371 118.899 -77.579 + 94.729 84.368 180.000 180.000 + 131.793 -64.470 136.909-107.071 + 120.702-134.648 105.552-108.918 + 118.859-113.627 109.063-109.035 + 116.933-118.512 130.627-141.311 + 121.779 0.000 121.602 -80.792 + # 68 total E -8.87124E+01 rmsd from N 2.647 %NC 0.53 0 + 93.872 113.542 146.381 -11.144 + 91.543 78.928 132.668 -29.617 + 92.400 37.765 135.153 118.797 + 91.729 51.774 141.168 -89.206 + 90.215 40.052 119.308-125.829 + 90.859 53.750 137.389 -35.753 + 90.242 45.446 141.191-179.933 + 91.334 75.328 94.720 -73.699 + 90.197 -62.958 135.741-135.630 + 106.929 -70.640 180.000 180.000 + 100.354 -26.303 180.000 180.000 + 92.943 101.680 135.141-160.432 + 93.420 83.652 114.785 -76.631 + 95.425 -98.797 109.076 -83.137 + 94.013 137.212 180.000 180.000 + 132.913 -75.133 149.298 171.264 + 116.948-109.770 109.485-117.013 + 120.888-138.293 110.777-108.939 + 117.488-118.729 125.582-133.320 + 121.854 0.000 121.607 -80.968 + # 69 total E -8.87198E+01 rmsd from N 2.345 %NC 0.53 0 + 93.869 115.826 146.658 -11.557 + 91.635 80.621 134.080 -25.405 + 93.135 37.502 176.439 179.671 + 91.942 48.628 140.076 -95.689 + 90.489 40.857 114.028-125.185 + 91.166 49.773 163.113 30.795 + 90.738 45.653 134.727-173.166 + 92.116 75.873 136.758-128.647 + 90.220 -65.285 131.667-136.854 + 102.584 -66.375 180.000 180.000 + 98.085 -32.023 180.000 180.000 + 92.990 104.631 139.310-167.546 + 94.430 102.076 113.870 -77.063 + 123.304 -95.802 118.999 -77.516 + 94.627 80.553 180.000 180.000 + 130.181 -68.450 129.391 -91.458 + 118.999-108.006 108.665-112.592 + 118.489-141.325 110.896-112.085 + 118.329-108.290 127.278-135.615 + 120.710 0.000 118.930 -80.254 + # 70 total E -8.74969E+01 rmsd from N 2.213 %NC 0.60 0 + 93.860 106.912 146.810 -11.028 + 91.495 76.379 137.957 -32.183 + 91.866 43.940 125.331 115.250 + 90.732 44.010 143.005 -94.082 + 89.901 45.207 118.344-116.649 + 90.522 51.224 169.661 9.865 + 90.608 44.958 142.362-172.979 + 91.810 73.504 108.992-102.920 + 90.778 -66.171 128.769-138.146 + 103.609 -64.429 180.000 180.000 + 99.627 -32.408 180.000 180.000 + 92.677 102.865 133.714-160.322 + 94.289 110.029 112.240 -77.373 + 123.638 -91.427 121.681 -77.428 + 95.327 84.896 180.000 180.000 + 131.597 -81.811 130.516-106.111 + 117.204-113.651 81.057 -92.135 + 114.598-146.848 111.748-114.910 + 115.882-118.030 136.193-151.875 + 121.598 0.000 121.574 -80.487 + # 71 total E -8.79632E+01 rmsd from N 2.248 %NC 0.47 0 + 93.709 58.197 110.026 -80.673 + 91.700 87.198 133.144 -23.103 + 91.317 44.867 101.231 -88.575 + 90.179 43.951 147.577 -93.535 + 90.977 42.613 118.492-126.017 + 91.073 47.110 145.840 86.254 + 91.175 45.788 133.450-155.398 + 92.821 75.220 139.716-132.058 + 90.471 -65.536 139.846-143.385 + 101.143 -62.284 180.000 180.000 + 97.780 -39.462 180.000 180.000 + 92.621 102.125 136.913-165.132 + 94.022 101.206 111.628 -78.823 + 120.724 -96.714 131.575-148.889 + 95.111 83.457 180.000 180.000 + 125.443 -71.370 138.099 -79.955 + 119.737-111.449 109.626-113.324 + 119.658-137.459 109.590-109.493 + 117.791-118.263 123.215-130.225 + 121.833 0.000 121.455 -81.012 + # 72 total E -8.77773E+01 rmsd from N 2.634 %NC 0.53 0 + 115.567 167.203 149.532 -15.044 + 91.693 79.696 133.898 -30.525 + 92.566 37.237 133.260 119.793 + 91.858 51.940 141.962 -89.641 + 90.254 39.680 118.997-125.691 + 90.921 53.898 138.419 -35.852 + 90.282 45.395 140.751-179.322 + 91.341 75.251 95.179 -74.412 + 90.202 -63.049 135.297-136.250 + 106.863 -70.460 180.000 180.000 + 100.337 -26.458 180.000 180.000 + 92.931 101.604 135.221-160.570 + 93.434 84.174 114.703 -76.656 + 95.627 -99.054 109.335 -83.063 + 94.059 135.954 180.000 180.000 + 132.444 -74.990 149.583 174.215 + 117.031-109.965 109.246-116.490 + 120.878-138.142 110.812-109.069 + 117.539-118.729 125.229-132.746 + 121.859 0.000 121.604 -80.980 + # 73 total E -8.71319E+01 rmsd from N 2.480 %NC 0.60 0 + 114.900 160.014 146.867 -23.344 + 91.619 87.551 138.396 -13.549 + 90.418 47.496 127.929 113.894 + 89.404 43.708 147.817 -92.322 + 89.520 47.983 122.729-131.056 + 89.439 51.851 158.575 34.104 + 90.155 41.936 139.397-152.119 + 92.198 73.630 129.006-134.341 + 91.098 -59.837 135.646-131.567 + 106.016 -65.990 180.000 180.000 + 102.401 -35.211 180.000 180.000 + 92.658 99.222 138.657-167.570 + 93.297 106.125 111.228 -78.880 + 95.611 -84.314 127.642-179.536 + 96.702 91.322 180.000 180.000 + 130.189 -86.296 136.182 -41.542 + 120.616-110.900 118.636-122.641 + 119.467-117.426 111.040-111.170 + 118.122-118.675 118.904-123.467 + 121.893 0.000 121.533 -81.086 + # 74 total E -8.92140E+01 rmsd from N 2.111 %NC 0.53 0 + 93.901 123.763 146.498 -7.477 + 91.445 88.956 131.076 -20.042 + 90.678 47.333 98.550 -88.314 + 89.754 43.363 146.559 -98.649 + 90.892 44.309 122.038-125.994 + 91.536 44.056 139.588 79.905 + 91.547 45.130 129.619-145.458 + 93.061 73.882 140.023-132.980 + 90.956 -68.553 141.691-139.026 + 105.981 -59.269 180.000 180.000 + 108.410 -62.083 180.000 180.000 + 92.675 77.382 136.759-164.775 + 93.412 101.104 113.076 -76.538 + 122.232 -84.347 123.951 -83.775 + 96.496 79.553 180.000 180.000 + 122.067 -78.659 145.722 -36.263 + 120.438-113.109 109.675-111.068 + 119.987-136.571 110.712-110.827 + 117.963-118.392 122.339-127.669 + 121.863 0.000 121.473 -81.060 + # 75 total E -8.84140E+01 rmsd from N 2.063 %NC 0.67 0 + 93.911 124.636 146.269 -6.080 + 91.471 88.553 133.556 -21.832 + 90.631 46.741 99.017 -86.639 + 89.677 42.973 147.922 -99.949 + 90.861 44.675 120.670-127.273 + 91.529 43.783 139.861 85.731 + 91.622 45.122 130.567-137.868 + 93.244 74.440 140.098-133.544 + 91.181 -70.438 142.754-139.763 + 105.906 -52.960 180.000 180.000 + 111.863 -64.360 180.000 180.000 + 93.111 75.496 136.801-164.628 + 92.870 113.527 114.161 -76.902 + 121.137 -89.742 124.615-134.806 + 95.450 74.779 180.000 180.000 + 119.210 -75.438 135.882 -47.920 + 119.343-117.894 106.819-107.222 + 118.424-115.979 141.799-156.921 + 117.680-118.308 123.651-128.438 + 121.871 0.000 121.437 -81.090 + # 76 total E -8.74864E+01 rmsd from N 2.627 %NC 0.47 0 + 93.710 38.067 108.413 -80.515 + 91.630 74.801 139.100 -38.483 + 91.478 44.344 123.736 120.702 + 90.279 47.546 143.430 -93.048 + 89.808 44.548 119.938-122.948 + 90.869 45.704 151.444 -1.642 + 91.354 43.453 135.253-165.405 + 92.943 65.184 138.182-132.667 + 91.848 -62.127 120.345 -85.336 + 116.839 -73.588 180.000 180.000 + 118.194 -46.853 180.000 180.000 + 92.680 73.403 135.848-162.698 + 92.303 99.062 112.486 -76.285 + 127.498 -76.507 119.362 -86.398 + 95.461 76.532 180.000 180.000 + 127.464 -78.442 152.564-133.534 + 120.761-115.247 110.090-115.392 + 119.930-136.143 111.503-111.137 + 118.097-118.703 121.163-124.758 + 121.891 0.000 121.556 -81.066 + # 77 total E -8.76335E+01 rmsd from N 1.742 %NC 0.60 0 + 93.905 122.997 146.043 -8.074 + 91.550 87.786 135.061 -24.513 + 91.633 44.837 124.964 105.531 + 90.170 44.735 142.159 -88.224 + 89.891 46.097 118.813-125.658 + 90.115 47.921 157.285 40.582 + 90.651 48.961 143.227 178.088 + 92.038 74.534 136.730-132.386 + 90.499 -68.222 136.840-121.610 + 102.773 -64.626 180.000 180.000 + 99.434 -31.473 180.000 180.000 + 92.674 102.100 133.801-159.693 + 94.826 126.906 112.842 -77.174 + 95.656 -88.138 114.000 -74.957 + 94.538 67.843 180.000 180.000 + 132.908 -78.002 106.422 -63.589 + 117.741-103.649 123.950-132.336 + 118.619-135.001 109.881-110.084 + 118.372-118.641 118.377-123.160 + 121.858 0.000 121.539 -81.025 + # 78 total E -8.96468E+01 rmsd from N 2.908 %NC 0.60 0 + 93.869 101.492 146.077 -11.094 + 91.400 69.721 136.864 -43.906 + 91.801 44.199 124.447 122.771 + 90.807 48.080 143.670 -94.401 + 89.761 42.592 121.958-114.553 + 90.933 51.112 156.945 -15.203 + 90.642 42.671 136.166-174.751 + 91.695 72.416 105.974 -97.539 + 90.697 -62.459 129.488-138.300 + 108.829 -69.415 180.000 180.000 + 101.252 -26.414 180.000 180.000 + 92.955 99.260 136.397-162.126 + 92.702 99.205 114.349 -78.009 + 125.076 -88.204 126.407-139.781 + 94.833 84.182 180.000 180.000 + 129.022 -75.264 132.936-133.584 + 120.671-114.703 110.507-116.407 + 119.716-136.280 109.492-108.943 + 117.961-118.758 121.946-126.663 + 121.889 0.000 121.578 -81.052 + # 79 total E -8.77052E+01 rmsd from N 2.259 %NC 0.60 0 + 112.848 157.741 150.750 -35.359 + 91.965 84.641 135.022 -21.729 + 91.327 43.481 105.449 -85.732 + 90.356 44.252 148.778 -93.766 + 90.993 42.370 118.453-125.559 + 91.062 47.427 146.911 86.670 + 91.149 45.265 133.709-153.352 + 92.837 75.459 139.734-132.262 + 90.457 -65.203 139.706-143.216 + 101.148 -62.321 180.000 180.000 + 97.698 -39.290 180.000 180.000 + 92.634 102.275 136.935-165.266 + 94.008 101.907 111.774 -78.854 + 120.600 -97.051 131.295-149.591 + 95.158 82.921 180.000 180.000 + 124.980 -71.699 137.082 -81.109 + 119.614-111.250 110.580-114.640 + 119.792-137.142 109.532-109.274 + 117.883-118.244 122.475-129.134 + 121.838 0.000 121.442 -81.028 + # 80 total E -8.76934E+01 rmsd from N 3.200 %NC 0.47 0 + 93.866 109.889 146.562 -11.230 + 91.524 77.864 131.672 -30.497 + 92.097 38.877 138.298 116.793 + 91.642 51.614 140.097 -88.278 + 90.046 39.788 119.511-126.245 + 90.526 58.092 132.593 -33.305 + 90.073 45.936 142.710 167.957 + 91.204 76.857 92.940 -76.965 + 90.716 -59.141 135.498-137.271 + 106.964 -67.342 180.000 180.000 + 99.541 -31.037 180.000 180.000 + 93.023 104.885 106.421 -85.517 + 93.322 96.269 112.948 -77.406 + 118.832 -75.105 117.749 -84.418 + 94.910 89.781 180.000 180.000 + 132.847 -63.940 129.420-139.850 + 119.578-106.864 104.450-107.371 + 116.652-141.500 108.791-109.562 + 116.755-118.487 130.579-143.114 + 121.732 0.000 121.633 -80.717 + # 81 total E -8.86129E+01 rmsd from N 2.806 %NC 0.53 0 + 119.144-116.805 110.318 -82.693 + 91.610 71.355 138.546 -40.247 + 91.880 43.577 124.417 122.659 + 90.799 47.617 144.351 -95.657 + 89.701 43.509 124.025-109.224 + 90.815 50.365 156.604 -12.413 + 90.693 44.125 136.239-172.758 + 91.759 74.143 106.699 -98.364 + 90.513 -63.879 127.107-143.489 + 106.177 -69.179 180.000 180.000 + 99.977 -27.096 180.000 180.000 + 93.185 103.215 135.536-161.062 + 93.902 91.342 114.649 -76.663 + 127.058 -85.710 122.289 -77.569 + 95.471 89.834 180.000 180.000 + 130.456 -76.203 139.862-133.004 + 120.729-116.351 109.349-114.724 + 120.196-136.425 109.585-108.729 + 117.979-118.752 121.921-126.515 + 121.891 0.000 121.575 -81.057 + # 82 total E -8.91923E+01 rmsd from N 2.094 %NC 0.47 0 + 93.710 62.497 110.049 -80.583 + 91.507 83.018 127.298 -24.336 + 91.531 44.238 95.398 -86.465 + 90.647 44.599 149.201 -95.245 + 90.289 43.056 117.982-122.266 + 91.148 48.355 155.152 32.891 + 90.813 44.318 131.186-154.291 + 92.029 71.357 137.283-133.091 + 90.866 -65.877 134.909-124.834 + 110.014 -67.487 180.000 180.000 + 112.469 -56.107 180.000 180.000 + 92.477 76.398 139.961-169.275 + 92.676 107.831 112.940 -76.391 + 124.189 -87.324 117.395 -84.830 + 94.748 73.952 180.000 180.000 + 126.778 -73.520 140.254 -62.322 + 119.743-111.407 107.769-110.271 + 119.244-137.733 111.987-112.985 + 117.481-118.299 125.256-132.246 + 121.821 0.000 121.484 -80.971 + # 83 total E -8.90878E+01 rmsd from N 3.004 %NC 0.60 0 + 93.966 122.828 142.502 -7.115 + 91.530 90.380 136.905 -11.975 + 90.696 44.881 135.696 113.085 + 90.148 46.913 144.467 -91.742 + 89.455 45.840 123.760-135.352 + 89.575 50.089 145.581 -12.920 + 90.203 43.730 141.919-160.940 + 91.720 74.595 133.062-133.366 + 90.630 -56.006 133.566-133.615 + 109.404 -71.173 180.000 180.000 + 101.700 -26.611 180.000 180.000 + 92.789 99.718 139.370-167.113 + 92.717 103.578 114.574 -78.278 + 120.845 -84.623 128.740-151.109 + 95.550 78.298 180.000 180.000 + 128.582 -80.237 145.752 -39.471 + 119.758-111.658 112.757-115.563 + 119.563-135.025 110.054-110.352 + 118.264-118.712 119.717-124.239 + 121.891 0.000 121.553 -81.071 + # 84 total E -8.87956E+01 rmsd from N 2.157 %NC 0.67 0 + 93.889 123.019 146.967 -8.052 + 91.322 84.571 126.198 -23.727 + 91.383 44.445 95.636 -86.774 + 90.693 44.366 149.347 -95.554 + 90.547 43.153 116.863-124.272 + 91.478 47.988 149.071 37.532 + 91.036 44.230 132.299-146.553 + 92.142 71.966 137.534-132.250 + 91.307 -67.304 133.636-131.747 + 112.719 -59.347 180.000 180.000 + 115.083 -62.653 180.000 180.000 + 93.391 66.188 139.644-167.970 + 93.552 112.870 109.288 61.331 + 119.955 -81.895 118.310 -84.054 + 94.504 71.797 180.000 180.000 + 124.904 -74.754 140.114 -55.387 + 119.913-111.504 107.848-109.753 + 119.493-137.027 112.849-113.861 + 117.728-118.339 123.704-130.091 + 121.841 0.000 121.475 -81.017 + # 85 total E -8.72454E+01 rmsd from N 2.081 %NC 0.53 0 + 114.154 171.287 150.050-102.000 + 90.971 78.459 129.283 -8.200 + 90.207 48.545 96.378 -88.684 + 89.443 43.073 144.148-101.713 + 90.734 44.857 121.889-126.077 + 91.482 43.732 139.407 78.702 + 91.515 45.453 129.366-145.799 + 93.047 73.824 139.013-133.148 + 90.975 -68.548 141.863-137.911 + 106.075 -59.398 180.000 180.000 + 108.652 -61.918 180.000 180.000 + 92.682 77.281 136.688-164.624 + 93.392 100.700 113.073 -76.539 + 122.041 -84.150 123.879 -83.683 + 96.504 79.941 180.000 180.000 + 122.332 -78.420 145.857 -35.642 + 120.456-112.875 109.053-110.103 + 119.859-136.838 110.662-110.877 + 117.840-118.426 123.070-128.927 + 121.859 0.000 121.484 -81.045 + # 86 total E -8.72197E+01 rmsd from N 2.693 %NC 0.53 0 + 93.704 41.720 109.203 -81.332 + 91.947 94.742 138.942 -17.336 + 90.675 47.725 127.436 114.247 + 89.440 44.076 147.911 -91.702 + 89.501 47.559 124.430-134.306 + 89.365 51.610 161.175 34.565 + 90.103 41.697 138.911-155.323 + 92.167 73.647 129.516-134.096 + 90.924 -59.048 135.159-132.576 + 105.891 -67.621 180.000 180.000 + 100.481 -32.932 180.000 180.000 + 92.604 102.358 139.788-169.374 + 92.732 99.361 113.375 -79.120 + 110.578 -80.733 131.470-171.103 + 97.002 85.320 180.000 180.000 + 129.498 -88.088 140.811 -34.693 + 120.835-109.462 118.113-121.624 + 119.635-132.910 111.541-111.761 + 118.805-118.543 115.712-118.116 + 121.877 0.000 121.496 -81.067 + # 87 total E -8.69533E+01 rmsd from N 2.053 %NC 0.60 0 + 93.905 123.885 146.377 -6.976 + 91.462 88.918 131.940 -19.763 + 90.591 47.358 98.252 -87.201 + 89.769 43.031 147.240 -99.753 + 90.730 44.822 123.071-124.795 + 91.494 43.884 136.857 83.881 + 91.535 45.936 129.549-143.198 + 93.220 73.954 140.092-133.418 + 91.033 -69.829 143.252-141.186 + 105.039 -57.207 180.000 180.000 + 109.022 -65.084 180.000 180.000 + 92.788 78.643 136.942-165.352 + 93.499 108.342 113.161 -76.609 + 119.702 -97.125 130.954-107.753 + 95.016 78.397 180.000 180.000 + 121.787 -66.655 112.794-128.759 + 119.500-140.609 109.249-111.751 + 121.471-110.829 113.256-112.589 + 117.599-118.497 124.707-132.944 + 121.845 0.000 121.521 -80.998 + # 88 total E -8.71601E+01 rmsd from N 2.043 %NC 0.67 0 + 93.863 110.729 146.628 -11.991 + 91.554 80.094 134.078 -28.534 + 92.323 43.148 132.230 106.464 + 91.002 44.574 140.592 -93.209 + 90.032 44.381 118.313-116.224 + 90.929 50.282 158.610 -11.210 + 90.635 42.876 137.440 152.576 + 91.320 66.161 106.491 -98.322 + 92.099 -72.911 131.319-117.907 + 118.873 -44.549 180.000 180.000 + 121.828 -60.407 180.000 180.000 + 93.397 65.090 100.748 -81.503 + 93.068 143.439 120.550 122.168 + 95.290 -68.412 124.764-158.303 + 94.295 66.272 180.000 180.000 + 126.583 -87.041 109.263-105.805 + 118.901-106.673 117.792-123.666 + 118.633-135.658 113.473-114.973 + 118.276-118.661 119.864-123.873 + 121.880 0.000 121.546 -81.053 + # 89 total E -8.89830E+01 rmsd from N 2.236 %NC 0.53 0 + 93.901 124.222 146.687 -6.868 + 91.474 88.189 132.293 -23.978 + 91.100 45.694 99.264 -88.253 + 90.096 43.358 145.660 -94.931 + 90.962 42.924 118.056-126.348 + 91.116 46.646 144.688 85.831 + 91.201 46.349 133.206-156.592 + 92.815 75.029 139.375-131.891 + 90.487 -65.778 139.943-143.507 + 101.124 -62.223 180.000 180.000 + 97.864 -39.609 180.000 180.000 + 92.606 101.994 136.903-165.063 + 94.035 100.740 111.511 -78.798 + 120.758 -96.409 131.873-148.544 + 95.096 83.803 180.000 180.000 + 125.749 -71.319 138.702 -78.962 + 119.811-111.570 109.197-112.728 + 119.600-137.590 109.630-109.608 + 117.747-118.276 123.544-130.692 + 121.831 0.000 121.463 -81.004 + # 90 total E -8.74294E+01 rmsd from N 3.074 %NC 0.53 0 + 93.853 113.337 146.155 -10.382 + 91.407 77.410 124.709 -32.505 + 93.008 35.324 144.129 116.518 + 92.590 53.610 140.259 -87.498 + 90.376 38.647 120.732-124.280 + 90.948 59.435 123.502 -41.913 + 90.058 44.495 148.980 178.331 + 91.374 72.869 90.762 -75.964 + 90.899 -63.438 138.070-134.279 + 108.820 -68.048 180.000 180.000 + 100.991 -29.283 180.000 180.000 + 92.809 101.850 114.321-105.214 + 92.746 86.296 112.281 -77.537 + 95.219 -87.749 109.011 -86.520 + 94.395 122.480 180.000 180.000 + 133.225 -67.338 146.923-163.989 + 117.055-106.021 109.144-116.977 + 118.338-141.772 108.109-107.296 + 116.748-118.475 131.289-144.329 + 121.728 0.000 121.630 -80.711 + # 91 total E -8.75168E+01 rmsd from N 2.793 %NC 0.53 0 + 115.186 162.436 147.991 -19.412 + 91.259 85.667 130.950 5.204 + 90.431 49.776 137.642 111.070 + 89.628 46.583 145.564 -92.568 + 89.174 47.173 127.152-144.262 + 89.492 49.182 146.549 -7.060 + 90.250 45.580 140.250-157.075 + 91.748 76.786 133.342-132.575 + 90.390 -58.358 131.645-139.069 + 106.112 -70.690 180.000 180.000 + 100.608 -29.015 180.000 180.000 + 92.962 103.095 138.053-165.589 + 94.159 95.125 113.238 -77.067 + 125.928 -81.227 126.979 -78.262 + 96.358 81.501 180.000 180.000 + 128.483 -83.323 146.159 -33.132 + 119.914-113.095 111.660-113.307 + 119.796-134.329 110.352-110.612 + 118.407-118.672 118.714-122.607 + 121.890 0.000 121.534 -81.079 + # 92 total E -8.83876E+01 rmsd from N 2.639 %NC 0.53 0 + 93.865 102.348 146.841 -11.485 + 91.429 73.266 138.672 -37.367 + 91.256 44.610 124.429 120.295 + 90.178 47.515 142.944 -91.977 + 89.772 44.690 119.423-124.271 + 90.857 45.632 151.277 -1.648 + 91.342 43.389 135.332-165.968 + 92.932 65.243 138.149-132.604 + 91.822 -62.110 120.605 -85.787 + 116.840 -73.779 180.000 180.000 + 118.093 -46.549 180.000 180.000 + 92.686 73.554 135.872-162.691 + 92.326 98.843 112.463 -76.285 + 127.587 -76.493 119.506 -86.332 + 95.474 76.611 180.000 180.000 + 127.496 -78.328 152.719-134.022 + 120.781-115.210 110.116-115.497 + 119.912-136.436 111.408-111.010 + 118.054-118.711 121.425-125.165 + 121.892 0.000 121.559 -81.066 + # 93 total E -8.89154E+01 rmsd from N 2.755 %NC 0.53 0 + 93.710 38.010 108.339 -80.450 + 91.634 73.381 137.669 -41.093 + 91.877 44.219 124.830 121.639 + 90.733 47.158 145.904 -97.251 + 89.862 44.731 123.535-109.510 + 91.141 48.787 155.821 -7.110 + 90.773 44.870 136.562-154.059 + 91.807 73.508 107.688 -97.798 + 90.393 -67.880 127.382-140.632 + 107.207 -70.785 180.000 180.000 + 99.727 -23.805 180.000 180.000 + 93.512 103.530 135.363-159.053 + 93.561 87.838 116.602 -75.931 + 125.187 -90.342 120.715 -78.004 + 95.334 91.327 180.000 180.000 + 133.038 -74.058 140.625-128.262 + 120.160-112.426 110.228-116.190 + 120.428-136.112 110.244-109.183 + 118.198-118.689 120.370-124.695 + 121.892 0.000 121.545 -81.076 + # 94 total E -8.75727E+01 rmsd from N 1.747 %NC 0.60 0 + 93.928 123.876 145.663 -6.896 + 91.536 88.350 135.144 -23.870 + 91.528 45.054 124.344 105.633 + 90.127 44.983 142.385 -87.982 + 89.947 45.897 119.352-126.382 + 90.042 48.262 157.272 43.583 + 90.604 49.424 143.182-179.558 + 92.014 74.773 136.793-132.362 + 90.362 -68.075 137.056-123.459 + 102.085 -64.874 180.000 180.000 + 98.857 -32.378 180.000 180.000 + 92.567 103.178 133.963-160.103 + 94.891 123.986 113.129 -77.219 + 104.240 -87.882 116.350 -76.000 + 94.705 65.839 180.000 180.000 + 131.805 -81.412 107.800 -60.410 + 117.777-104.678 124.349-132.640 + 118.690-134.765 110.153-110.224 + 118.457-118.630 117.962-122.106 + 121.877 0.000 121.530 -81.055 + # 95 total E -8.71046E+01 rmsd from N 2.805 %NC 0.47 0 + 115.640 -48.129 148.355 -19.299 + 91.541 74.408 137.240 -42.920 + 91.902 43.778 124.583 122.422 + 90.807 47.688 144.096 -95.413 + 89.713 43.405 124.433-108.265 + 90.843 50.392 156.535 -12.608 + 90.702 44.228 136.302-173.482 + 91.747 74.084 106.633 -98.309 + 90.520 -63.973 127.029-143.477 + 106.226 -69.185 180.000 180.000 + 100.004 -27.074 180.000 180.000 + 93.176 103.176 135.572-161.098 + 93.877 91.187 114.638 -76.662 + 126.979 -85.782 122.144 -77.644 + 95.448 90.111 180.000 180.000 + 130.560 -76.033 140.046-133.491 + 120.739-116.539 109.216-114.590 + 120.217-136.456 109.582-108.703 + 117.950-118.751 122.092-126.771 + 121.890 0.000 121.577 -81.055 + # 96 total E -8.78264E+01 rmsd from N 3.290 %NC 0.47 0 + 93.872 113.048 146.488 -10.372 + 91.428 76.409 125.174 -36.304 + 93.175 35.166 141.246 118.261 + 92.676 53.427 140.391 -87.649 + 90.299 38.513 121.234-122.844 + 90.959 59.833 127.171 -42.321 + 90.062 43.911 145.140 171.822 + 91.430 73.898 92.210 -77.408 + 90.967 -60.597 137.630-137.800 + 108.690 -68.338 180.000 180.000 + 100.494 -29.569 180.000 180.000 + 93.039 104.409 108.744 -89.994 + 93.095 89.072 112.840 -77.407 + 119.158 -75.926 116.056 -83.543 + 94.823 94.893 180.000 180.000 + 134.400 -63.147 133.576-146.997 + 119.563-109.011 107.094-112.951 + 118.257-141.274 108.560-108.328 + 116.553-118.544 131.559-143.629 + 121.733 0.000 121.644 -80.723 + # 97 total E -8.97809E+01 rmsd from N 2.762 %NC 0.60 0 + 93.870 103.876 146.204 -10.541 + 91.421 71.584 137.477 -39.697 + 91.654 44.597 125.408 121.261 + 90.596 46.996 145.536 -96.132 + 89.817 45.118 121.826-113.985 + 91.108 48.457 155.811 -5.827 + 90.768 44.858 136.351-153.886 + 91.832 73.586 108.551 -97.900 + 90.387 -67.972 127.505-140.454 + 107.195 -70.803 180.000 180.000 + 99.706 -23.767 180.000 180.000 + 93.527 103.534 135.293-158.937 + 93.566 87.758 116.629 -75.922 + 125.350 -90.425 120.606 -77.964 + 95.316 91.199 180.000 180.000 + 132.967 -73.892 140.931-127.508 + 120.196-112.330 110.270-116.256 + 120.419-136.187 110.212-109.115 + 118.171-118.692 120.550-125.004 + 121.891 0.000 121.548 -81.074 + # 98 total E -8.72116E+01 rmsd from N 2.005 %NC 0.67 0 + 93.987 126.029 142.594 -2.537 + 91.454 89.543 135.743 -18.006 + 91.160 46.916 126.101 98.387 + 90.055 44.702 147.829 -91.061 + 90.079 46.656 121.594-128.506 + 90.283 50.504 158.745 39.991 + 90.409 41.778 145.208-129.804 + 92.072 68.766 131.683-135.350 + 91.125 -60.937 136.493-118.419 + 113.760 -63.519 180.000 180.000 + 101.070 -21.978 180.000 180.000 + 93.262 94.981 95.821 -83.452 + 122.124 144.215 118.183 -80.583 + 94.865 -75.328 113.541 -77.411 + 93.408 64.553 180.000 180.000 + 129.294 -76.929 88.597 -63.991 + 118.026-105.257 125.050-132.914 + 120.417-115.944 109.285-109.229 + 118.484-118.554 114.372-118.519 + 121.873 0.000 121.495 -81.066 + # 99 total E -8.72045E+01 rmsd from N 2.497 %NC 0.53 0 + 93.702 41.686 109.222 -81.336 + 91.943 93.972 138.433 -17.622 + 90.719 47.848 127.618 114.699 + 89.514 43.601 148.337 -91.737 + 89.549 47.901 123.655-132.761 + 89.469 51.860 158.763 34.384 + 90.164 41.951 139.255-152.210 + 92.187 73.446 129.204-134.375 + 91.086 -60.027 135.551-131.407 + 106.076 -65.908 180.000 180.000 + 102.491 -35.264 180.000 180.000 + 92.646 99.069 138.788-167.755 + 93.311 105.928 111.209 -78.869 + 95.689 -84.653 127.678-179.024 + 96.645 91.695 180.000 180.000 + 130.006 -86.249 136.560 -41.587 + 120.651-111.061 118.334-122.256 + 119.438-117.420 111.119-111.300 + 118.116-118.671 118.959-123.505 + 121.893 0.000 121.533 -81.085 + # 100 total E -8.73846E+01 rmsd from N 2.069 %NC 0.60 0 + 93.709 57.138 110.016 -80.732 + 91.710 88.583 134.196 -21.589 + 90.895 46.041 100.579 -87.246 + 89.744 43.529 150.103 -98.587 + 90.881 44.371 121.133-127.086 + 91.484 44.176 140.446 85.871 + 91.604 44.713 130.565-137.264 + 93.256 74.640 140.647-133.799 + 91.157 -70.281 142.830-139.805 + 105.893 -53.013 180.000 180.000 + 111.737 -64.418 180.000 180.000 + 93.108 75.599 136.849-164.736 + 92.880 113.648 114.162 -76.902 + 121.107 -89.725 124.625-134.836 + 95.447 74.678 180.000 180.000 + 119.233 -75.411 135.946 -48.214 + 119.329-117.938 107.070-107.635 + 118.492-115.975 141.753-156.762 + 117.674-118.301 123.692-128.445 + 121.865 0.000 121.420 -81.090 + # 101 total E -8.69698E+01 rmsd from N 2.854 %NC 0.47 0 + 115.537 170.924 151.677 -13.597 + 91.634 76.793 137.641 -40.867 + 91.336 45.918 126.891 119.881 + 90.196 47.959 143.395 -91.311 + 89.465 43.401 119.567-123.940 + 90.126 49.595 155.028 -8.083 + 90.652 43.375 134.942 179.981 + 91.896 70.765 135.299-132.618 + 91.187 -62.440 134.146-120.224 + 111.583 -61.063 180.000 180.000 + 114.354 -51.856 180.000 180.000 + 92.719 79.981 105.329-100.437 + 93.300 105.054 112.331 -77.206 + 124.797 -73.076 121.484 -84.078 + 94.716 79.735 180.000 180.000 + 126.157 -65.143 151.337-125.608 + 120.247-112.302 107.482-111.892 + 120.660-137.240 111.569-110.749 + 117.836-118.774 122.657-128.548 + 121.887 0.000 121.589 -81.043 + # 102 total E -8.71202E+01 rmsd from N 2.745 %NC 0.47 0 + 93.906 121.866 145.512 -9.571 + 91.621 90.289 137.637 -13.596 + 90.386 46.822 92.053 -80.040 + 89.934 44.399 145.483-100.996 + 89.037 50.538 126.217-127.611 + 89.426 54.913 153.718 -22.460 + 89.751 40.665 135.863-160.248 + 91.790 74.526 105.216-107.658 + 90.679 -58.430 134.432-133.646 + 106.971 -69.825 180.000 180.000 + 100.631 -25.885 180.000 180.000 + 93.329 105.911 141.177-170.327 + 94.419 111.357 115.208 -76.430 + 117.264 -93.004 140.979 -39.061 + 95.457 73.970 180.000 180.000 + 129.355 -72.629 111.614 -55.561 + 116.564 -99.373 125.999-135.059 + 118.603-138.098 107.845-107.195 + 117.815-118.361 122.931-131.716 + 121.826 0.000 121.500 -80.973 + # 103 total E -8.77749E+01 rmsd from N 1.925 %NC 0.53 0 + 93.861 116.999 147.098 -12.442 + 91.564 84.042 136.256 -26.616 + 91.527 44.668 124.653 109.424 + 90.260 44.450 142.707 -89.359 + 89.935 45.142 118.659-123.199 + 90.211 48.437 161.730 36.539 + 90.635 47.235 143.196-177.097 + 91.913 74.297 135.834-130.939 + 90.445 -67.242 132.568-132.265 + 102.993 -65.011 180.000 180.000 + 99.495 -33.553 180.000 180.000 + 92.559 101.875 134.058-160.575 + 94.675 115.663 111.660 -77.483 + 120.368 -89.089 121.787 -79.798 + 95.395 71.152 180.000 180.000 + 129.635 -88.479 114.184 -99.610 + 118.996-108.026 120.560-128.096 + 117.951-137.652 108.815-109.169 + 117.429-118.737 125.388-132.597 + 121.846 0.000 121.621 -80.945 + # 104 total E -8.74625E+01 rmsd from N 1.751 %NC 0.67 0 + 93.970 126.301 143.630 -2.535 + 91.461 89.367 134.976 -20.405 + 91.389 44.396 124.057 103.377 + 89.985 46.692 144.645 -90.085 + 90.124 46.061 121.055-129.804 + 90.610 45.916 153.920 36.514 + 91.031 44.416 143.342-146.986 + 92.273 72.017 137.803-133.697 + 91.198 -71.465 136.280-115.204 + 111.406 -53.010 180.000 180.000 + 117.324 -61.972 180.000 180.000 + 93.434 65.690 131.372-156.187 + 93.027 145.196 111.083 108.611 + 95.237 -69.736 118.091-151.566 + 93.872 62.322 180.000 180.000 + 124.285 -87.015 104.888 -57.512 + 118.611-105.113 120.494-125.719 + 119.238-131.764 113.855-115.816 + 118.837-118.460 114.498-117.212 + 121.851 0.000 121.476 -81.035 + # 105 total E -8.77721E+01 rmsd from N 3.220 %NC 0.53 0 + 93.951 121.718 142.998 -8.451 + 91.556 89.410 136.116 -13.007 + 90.865 44.323 138.512 110.847 + 90.456 46.963 143.781 -90.694 + 89.713 46.089 122.895-133.164 + 89.976 48.569 139.721 -15.436 + 90.562 47.690 141.895-155.369 + 92.240 80.986 134.395-124.404 + 90.924 -61.511 102.216 -76.151 + 108.707 -52.847 180.000 180.000 + 92.524 -35.525 180.000 180.000 + 94.876 145.956 107.373-100.350 + 92.935 96.232 112.816 -76.614 + 131.646 -90.115 119.958 -83.715 + 94.728 87.297 180.000 180.000 + 129.384 -62.470 138.165 -60.160 + 118.661-106.961 103.421-104.453 + 118.223-138.554 109.427-110.110 + 117.355-118.597 126.095-135.296 + 121.825 0.000 121.588 -80.922 + # 106 total E -8.72589E+01 rmsd from N 2.559 %NC 0.60 0 + 115.328 162.801 147.716 -18.568 + 91.317 85.605 127.401 5.429 + 90.451 52.344 137.200 112.574 + 90.146 47.515 146.582 -93.857 + 89.468 44.542 127.712-144.215 + 89.748 51.440 145.358 -10.231 + 90.300 46.264 142.615-154.168 + 91.504 75.908 133.336-132.301 + 90.502 -56.805 129.586-140.077 + 107.491 -70.220 180.000 180.000 + 101.081 -28.439 180.000 180.000 + 92.643 101.070 139.381-167.672 + 93.090 106.982 113.669 -77.664 + 115.780 -89.478 128.094-143.164 + 94.900 80.354 180.000 180.000 + 128.263 -79.787 114.151-133.516 + 119.688-114.910 113.999-118.447 + 119.192-116.057 110.428-110.921 + 117.866-118.729 121.133-126.993 + 121.889 0.000 121.563 -81.062 + # 107 total E -8.82243E+01 rmsd from N 2.989 %NC 0.53 0 + 93.702 41.770 109.324 -81.454 + 91.976 95.323 137.787 -15.598 + 91.070 45.092 134.326 115.347 + 90.277 46.547 145.283 -91.991 + 89.507 45.862 124.422-135.827 + 89.611 49.996 146.842 -12.014 + 90.229 43.656 141.071-160.932 + 91.737 74.410 133.123-133.293 + 90.625 -56.440 133.368-133.467 + 109.260 -70.968 180.000 180.000 + 101.645 -26.757 180.000 180.000 + 92.786 99.696 139.392-167.176 + 92.739 104.044 114.577 -78.316 + 121.039 -84.865 128.650-151.319 + 95.517 77.919 180.000 180.000 + 128.355 -80.369 144.775 -40.201 + 119.679-111.614 113.287-116.294 + 119.585-134.587 110.153-110.467 + 118.355-118.703 119.012-123.214 + 121.891 0.000 121.543 -81.075 + # 108 total E -8.71106E+01 rmsd from N 2.786 %NC 0.53 0 + 93.704 38.431 108.907 -81.060 + 91.706 79.348 126.627 -26.691 + 92.732 35.811 146.940 115.717 + 92.207 55.402 138.840 -87.014 + 90.381 38.663 119.512-129.933 + 90.770 57.395 119.279 -43.290 + 89.871 46.432 152.742-174.459 + 90.922 69.805 89.940 -73.322 + 90.407 -69.147 138.174-128.132 + 112.373 -75.167 180.000 180.000 + 102.119 -21.311 180.000 180.000 + 92.924 98.905 138.636-163.544 + 92.937 71.832 115.396 -76.326 + 94.211 -95.438 108.869 -85.451 + 93.899 144.345 180.000 180.000 + 137.334 -78.807 147.330 158.063 + 115.782-103.767 112.818-122.434 + 118.566-142.082 106.960-105.393 + 116.824-118.437 131.313-145.075 + 121.765 0.000 121.588 -80.781 + # 109 total E -8.75850E+01 rmsd from N 2.588 %NC 0.60 0 + 93.930 121.243 143.948 -9.027 + 91.198 87.938 131.096 -0.643 + 90.457 49.095 136.499 111.124 + 89.947 47.038 148.814 -94.906 + 89.759 45.837 127.062-140.859 + 90.519 48.119 142.622 -7.679 + 90.789 42.428 138.420-134.172 + 92.307 74.906 135.012-135.036 + 91.549 -63.201 135.311-118.886 + 115.018 -49.557 180.000 180.000 + 121.011 -56.620 180.000 180.000 + 93.626 69.711 140.587-166.956 + 92.445 127.357 122.467 130.993 + 94.871 -70.004 120.904-148.058 + 94.788 73.969 180.000 180.000 + 128.174 -81.781 137.143 -49.129 + 119.954-111.842 112.117-114.125 + 119.369-116.024 117.692-120.754 + 118.169-118.600 118.205-122.547 + 121.888 0.000 121.509 -81.088 + # 110 total E -8.77830E+01 rmsd from N 2.477 %NC 0.53 0 + 93.856 98.303 146.495 -12.627 + 91.399 70.314 138.007 -41.581 + 90.715 50.427 124.105 112.382 + 89.408 45.661 145.898 -91.379 + 89.782 45.579 117.961-122.162 + 90.612 49.705 151.199 30.538 + 90.437 41.468 138.190-153.275 + 92.096 67.763 132.847-134.684 + 91.301 -67.340 135.812-114.521 + 113.010 -62.576 180.000 180.000 + 119.043 -52.358 180.000 180.000 + 92.929 73.944 140.169-168.919 + 93.649 96.080 112.991 -76.236 + 115.955 -69.616 154.047 -90.495 + 97.089 80.715 180.000 180.000 + 131.286 -85.775 156.835-132.316 + 121.548-113.915 109.595-112.713 + 119.309-135.894 113.516-114.662 + 118.432-118.606 119.287-121.382 + 121.881 0.000 121.519 -81.069 + # 111 total E -8.74192E+01 rmsd from N 2.641 %NC 0.53 0 + 119.273-129.350 110.882 -81.029 + 91.706 77.649 134.398 -29.210 + 92.531 37.172 133.388 119.882 + 91.844 51.786 141.802 -89.861 + 90.239 39.846 118.917-125.581 + 90.900 53.878 138.486 -35.801 + 90.270 45.316 140.762-179.322 + 91.342 75.193 95.159 -74.352 + 90.212 -63.040 135.340-136.134 + 106.921 -70.498 180.000 180.000 + 100.365 -26.427 180.000 180.000 + 92.938 101.602 135.196-160.508 + 93.448 84.272 114.684 -76.659 + 95.700 -99.052 109.573 -82.936 + 94.096 135.444 180.000 180.000 + 132.250 -74.936 149.683 175.263 + 117.088-110.058 109.241-116.424 + 120.888-138.092 110.745-108.993 + 117.540-118.726 125.213-132.738 + 121.858 0.000 121.604 -80.979 + # 112 total E -8.72062E+01 rmsd from N 1.832 %NC 0.60 0 + 93.854 107.949 147.076 -11.849 + 91.539 78.914 136.245 -28.959 + 91.724 44.567 127.237 111.378 + 90.454 44.067 141.580 -92.546 + 89.890 46.003 117.560-120.493 + 90.276 49.155 169.308 22.787 + 90.595 50.153 142.085-177.114 + 92.113 73.580 118.124-107.204 + 91.222 -68.560 91.393 -72.843 + 101.135 -61.923 180.000 180.000 + 100.159 -30.032 180.000 180.000 + 92.631 104.557 134.210-160.194 + 93.499 128.349 113.394 -76.783 + 93.978 -83.609 111.685 -79.412 + 94.521 68.046 180.000 180.000 + 135.534 -77.210 111.701 -87.956 + 118.218-102.132 121.946-130.085 + 117.234-136.159 109.612-110.632 + 118.055-118.733 120.843-127.253 + 121.879 0.000 121.578 -81.032 + # 113 total E -8.87927E+01 rmsd from N 2.100 %NC 0.53 0 + 116.767-178.156 115.022 -81.697 + 91.519 85.097 127.172 -26.759 + 91.622 43.949 94.975 -85.367 + 90.701 44.680 149.556 -94.953 + 90.305 42.907 117.656-122.546 + 91.171 48.410 155.217 32.943 + 90.823 44.247 131.084-154.380 + 92.031 71.375 137.470-133.017 + 90.865 -65.889 134.820-125.251 + 110.016 -67.519 180.000 180.000 + 112.451 -56.123 180.000 180.000 + 92.477 76.361 139.931-169.232 + 92.676 107.863 112.940 -76.390 + 124.247 -87.290 117.398 -84.850 + 94.745 73.930 180.000 180.000 + 126.731 -73.549 140.234 -62.424 + 119.746-111.382 107.837-110.370 + 119.235-137.721 111.975-112.971 + 117.494-118.308 125.195-132.169 + 121.821 0.000 121.485 -80.972 + # 114 total E -8.71947E+01 rmsd from N 3.209 %NC 0.47 0 + 93.871 113.069 145.728 -14.448 + 91.722 88.331 137.204 -14.171 + 91.954 41.966 175.528 177.703 + 89.725 48.831 132.880 -86.784 + 89.093 53.824 117.688-135.002 + 88.558 58.428 118.531 -52.788 + 89.468 43.093 152.661-174.764 + 91.731 72.962 88.524 -68.996 + 91.041 -57.987 145.472-121.641 + 108.866 -71.129 180.000 180.000 + 101.825 -23.595 180.000 180.000 + 93.461 107.209 135.382-160.635 + 93.319 93.761 115.030 -76.175 + 112.815 -86.237 119.680 -72.778 + 95.956 93.544 180.000 180.000 + 134.838 -76.088 155.192 -28.405 + 120.892-108.826 104.875-103.844 + 118.296-138.636 107.648-107.825 + 117.388-118.781 126.529-136.339 + 121.846 0.000 121.634 -80.939 + # 115 total E -8.86438E+01 rmsd from N 2.083 %NC 0.67 0 + 112.378 156.768 150.197 -39.892 + 91.997 84.004 132.582 -20.458 + 91.404 42.770 102.021 -84.327 + 90.551 45.161 150.345 -94.416 + 90.344 43.220 118.108-125.921 + 90.886 49.085 151.382 39.158 + 90.410 43.226 129.959-154.510 + 91.796 70.801 136.758-137.936 + 90.939 -66.110 141.169 -41.024 + 110.831 -68.979 180.000 180.000 + 113.087 -60.483 180.000 180.000 + 92.459 71.374 139.801-169.464 + 92.574 105.568 113.198 -76.340 + 128.788 -86.262 117.049 -86.993 + 94.996 72.740 180.000 180.000 + 124.226 -76.149 140.760 -57.037 + 119.822-112.274 109.110-111.771 + 119.580-137.450 112.191-112.910 + 117.576-118.315 124.674-130.922 + 121.856 0.000 121.497 -81.020 + # 116 total E -8.83451E+01 rmsd from N 2.081 %NC 0.47 0 + 114.341 172.044 150.491-103.455 + 91.045 74.730 127.471 -16.876 + 90.932 45.176 93.306 -84.878 + 90.508 43.620 146.489 -97.548 + 90.296 43.659 117.257-122.580 + 91.113 47.942 155.737 31.175 + 90.753 44.903 131.185-155.530 + 91.993 71.242 136.294-133.246 + 90.854 -66.355 135.422-121.176 + 109.764 -67.118 180.000 180.000 + 112.511 -54.730 180.000 180.000 + 92.510 77.823 140.049-169.265 + 92.718 107.959 112.849 -76.411 + 123.748 -87.724 117.432 -84.522 + 94.714 74.263 180.000 180.000 + 127.258 -72.967 139.842 -65.116 + 119.743-111.073 107.736-110.378 + 119.089-137.874 111.861-112.917 + 117.444-118.307 125.534-132.849 + 121.776 0.000 121.456 -80.942 + # 117 total E -9.02355E+01 rmsd from N 2.095 %NC 0.53 0 + 93.879 122.540 147.437 -8.679 + 91.373 84.314 126.970 -25.830 + 91.414 44.416 94.450 -85.485 + 90.671 44.439 148.604 -95.354 + 90.321 43.021 117.626-122.687 + 91.193 48.302 155.156 32.915 + 90.817 44.337 131.147-154.823 + 92.020 71.249 137.181-132.956 + 90.876 -65.955 134.734-125.113 + 110.082 -67.617 180.000 180.000 + 112.531 -56.053 180.000 180.000 + 92.476 76.307 139.966-169.266 + 92.667 107.764 112.938 -76.388 + 124.285 -87.356 117.352 -84.866 + 94.740 73.996 180.000 180.000 + 126.771 -73.495 140.340 -62.254 + 119.755-111.381 107.703-110.184 + 119.207-137.758 111.982-113.004 + 117.474-118.311 125.323-132.375 + 121.819 0.000 121.487 -80.968 + # 118 total E -8.77879E+01 rmsd from N 2.770 %NC 0.47 0 + 93.824 98.738 148.423 -13.757 + 91.605 77.612 131.076 -33.145 + 92.279 42.520 174.454 175.076 + 90.433 54.879 131.221 -83.992 + 89.718 46.196 118.641-133.371 + 89.500 61.402 108.976 -55.667 + 89.613 47.421 157.993-179.608 + 91.293 71.857 87.300 -74.315 + 90.993 -60.862 144.088-131.168 + 109.713 -70.950 180.000 180.000 + 102.069 -26.553 180.000 180.000 + 92.540 102.043 138.777-165.920 + 92.887 77.421 113.592 -76.886 + 93.470 -94.423 108.855 -85.745 + 93.939 151.817 180.000 180.000 + 138.777 -82.933 143.718 145.787 + 116.033-104.560 116.651-128.380 + 120.666-141.948 106.178-102.989 + 116.828-118.706 130.876-143.984 + 121.779 0.000 121.664 -80.793 + # 119 total E -8.76755E+01 rmsd from N 2.756 %NC 0.60 0 + 93.886 114.227 145.256 -13.011 + 91.287 85.371 130.495 -3.705 + 91.380 42.850 140.667 114.984 + 90.240 52.946 139.418 -88.626 + 89.292 46.033 122.969-139.984 + 89.364 54.164 131.210 -30.535 + 89.849 46.187 146.674-173.813 + 91.365 79.167 89.200 -68.825 + 90.355 -58.932 138.448-125.356 + 105.652 -69.398 180.000 180.000 + 99.969 -25.268 180.000 180.000 + 93.381 104.090 132.546-156.099 + 93.219 105.837 115.666 -76.164 + 95.913 -89.229 113.993 -75.187 + 95.009 95.060 180.000 180.000 + 136.254 -70.292 143.073 -63.440 + 120.033-106.525 106.605-108.497 + 117.396-138.619 107.879-108.637 + 117.494-118.660 125.862-135.812 + 121.826 0.000 121.611 -80.911 + # 120 total E -8.88539E+01 rmsd from N 2.103 %NC 0.60 0 + 112.146 157.365 151.828 -39.527 + 92.040 82.497 131.140 -25.465 + 91.804 42.250 101.496 -83.021 + 91.003 44.798 150.273 -95.268 + 90.391 42.667 117.724-121.684 + 91.194 48.524 156.327 34.123 + 90.831 44.422 131.186-152.826 + 92.078 71.848 137.849-133.201 + 90.832 -66.137 135.583-123.727 + 109.308 -66.243 180.000 180.000 + 111.961 -55.568 180.000 180.000 + 92.517 78.044 139.919-169.190 + 92.792 108.551 112.887 -76.429 + 123.440 -87.331 117.751 -84.447 + 94.769 73.709 180.000 180.000 + 126.912 -73.847 139.005 -65.570 + 119.631-111.215 108.929-111.974 + 119.463-137.387 111.888-112.689 + 117.642-118.278 124.156-130.457 + 121.830 0.000 121.465 -81.001 + # 121 total E -8.81564E+01 rmsd from N 2.845 %NC 0.67 0 + 93.855 94.792 146.364 -13.845 + 91.419 74.245 142.337-106.752 + 90.674 58.746 135.849 113.344 + 89.126 50.177 144.408 -96.587 + 89.215 44.790 122.842 -93.308 + 90.541 52.152 156.043 -9.874 + 90.516 40.806 134.785-166.845 + 91.869 73.203 102.070 -98.059 + 90.861 -59.298 130.786-137.511 + 109.004 -70.203 180.000 180.000 + 101.287 -26.341 180.000 180.000 + 93.079 100.021 139.090-166.431 + 93.350 105.633 115.335 -78.736 + 126.095 -87.274 133.125-160.505 + 95.773 74.662 180.000 180.000 + 124.054 -79.683 132.406 -93.181 + 119.971-110.544 116.988-122.881 + 119.581-134.192 109.233-108.844 + 118.404-118.697 118.516-122.823 + 121.891 0.000 121.543 -81.076 + # 122 total E -8.75581E+01 rmsd from N 2.141 %NC 0.67 0 + 93.896 118.300 145.438 -10.857 + 91.565 83.196 132.442 -16.644 + 92.673 37.137 176.423-179.238 + 91.440 51.602 141.195 -96.542 + 90.453 41.530 115.773-131.031 + 91.048 49.594 151.867 36.025 + 90.463 41.990 133.919-161.896 + 91.890 71.651 136.470-136.626 + 90.916 -65.770 140.775 -45.181 + 111.139 -71.140 180.000 180.000 + 112.715 -58.521 180.000 180.000 + 92.530 72.706 139.942-169.377 + 92.660 104.989 113.100 -76.353 + 128.794 -87.397 117.713 -86.906 + 95.059 72.972 180.000 180.000 + 124.786 -74.689 140.944 -58.138 + 119.514-111.319 108.546-111.277 + 119.621-142.304 112.163-112.895 + 118.775-105.454 125.298-131.321 + 120.362 0.000 118.289 -79.950 + # 123 total E -8.76204E+01 rmsd from N 2.876 %NC 0.47 0 + 93.702 41.933 109.387 -81.509 + 91.995 97.504 137.491 -14.335 + 90.900 46.151 135.380 113.959 + 90.065 45.939 145.326 -92.054 + 89.392 47.206 125.515-138.962 + 89.466 49.345 146.138 -8.907 + 90.202 45.356 140.852-158.526 + 91.733 76.417 133.129-132.567 + 90.430 -58.222 131.867-138.661 + 106.427 -71.038 180.000 180.000 + 100.791 -28.704 180.000 180.000 + 92.981 103.189 137.995-165.416 + 94.188 94.586 113.261 -77.064 + 126.069 -80.645 127.653 -78.061 + 96.463 81.562 180.000 180.000 + 128.595 -83.613 146.384 -31.868 + 119.874-112.891 111.929-113.568 + 119.791-134.495 110.194-110.406 + 118.379-118.684 118.921-122.929 + 121.888 0.000 121.535 -81.077 + # 124 total E -8.70608E+01 rmsd from N 2.775 %NC 0.67 0 + 115.829 174.979 152.225 -12.186 + 91.715 74.794 131.835 -65.653 + 91.855 59.261 123.645 119.187 + 89.818 49.838 145.503 -96.934 + 89.688 43.488 119.691-113.668 + 91.264 51.400 162.143 0.125 + 90.756 39.751 130.164-170.931 + 92.234 73.480 103.321 -96.431 + 91.005 -61.640 130.700-136.113 + 107.729 -68.819 180.000 180.000 + 101.313 -27.993 180.000 180.000 + 93.239 99.392 133.407-158.385 + 93.900 108.901 114.023 -78.993 + 131.206 -96.622 134.363-156.312 + 95.334 81.175 180.000 180.000 + 125.501 -66.755 132.341 -80.833 + 119.466-111.793 110.489-116.358 + 120.069-135.886 111.618-111.130 + 118.283-118.662 119.986-123.836 + 121.888 0.000 121.536 -81.074 + # 125 total E -8.77464E+01 rmsd from N 2.832 %NC 0.53 0 + 93.854 101.283 146.924 -11.968 + 91.463 75.107 139.275 -33.743 + 90.825 46.067 127.731 119.088 + 89.871 47.940 141.842 -90.870 + 89.420 44.375 119.908-126.095 + 90.141 47.622 152.347 -5.605 + 91.057 43.515 134.182-179.675 + 92.754 65.275 136.525-132.690 + 91.983 -57.622 120.357 -83.074 + 116.986 -64.834 180.000 180.000 + 118.216 -56.979 180.000 180.000 + 92.650 70.453 102.716 -98.620 + 92.953 106.634 112.943 -77.126 + 127.054 -71.575 120.880 -87.290 + 94.697 77.154 180.000 180.000 + 124.314 -63.392 154.551-126.188 + 120.196-111.328 107.693-112.043 + 120.626-137.424 111.937-111.051 + 117.729-118.763 123.288-129.296 + 121.882 0.000 121.591 -81.032 + # 126 total E -8.93115E+01 rmsd from N 2.922 %NC 0.60 0 + 93.865 103.380 146.414 -10.866 + 91.437 71.996 136.795 -38.528 + 91.538 45.238 127.228 120.223 + 90.563 46.662 145.077 -95.539 + 89.594 45.250 122.293-112.308 + 90.700 51.452 157.456 -6.911 + 90.573 44.067 137.106-163.455 + 91.811 74.515 106.451-101.168 + 90.578 -64.408 127.863-141.816 + 105.295 -66.810 180.000 180.000 + 98.518 -29.322 180.000 180.000 + 93.349 105.834 112.420-101.835 + 93.781 92.694 114.747 -76.938 + 123.805 -84.768 119.143 -78.190 + 94.845 87.796 180.000 180.000 + 131.947 -64.335 137.997-123.355 + 119.346-109.879 108.868-114.587 + 120.719-136.813 110.731-109.633 + 118.034-118.705 121.406-127.197 + 121.890 0.000 121.557 -81.067 + # 127 total E -8.73640E+01 rmsd from N 2.464 %NC 0.60 0 + 93.893 117.214 145.334 -12.359 + 91.277 86.620 128.020 -2.655 + 90.455 49.886 137.822 112.541 + 90.141 48.840 146.168 -92.975 + 89.644 44.572 126.142-139.357 + 90.074 48.695 140.838 -15.327 + 90.854 46.559 140.848-146.416 + 92.371 68.387 136.936-132.260 + 91.545 -56.639 113.668 -79.981 + 114.095 -72.375 180.000 180.000 + 117.168 -41.898 180.000 180.000 + 92.507 79.814 140.026-168.433 + 91.880 112.420 112.836 -76.865 + 112.832 -81.571 122.076-136.982 + 94.678 74.819 180.000 180.000 + 127.735 -81.614 118.763-134.018 + 120.194-113.941 115.014-119.572 + 119.258-116.393 110.919-111.391 + 117.903-118.717 120.845-126.365 + 121.890 0.000 121.560 -81.067 + # 128 total E -8.71636E+01 rmsd from N 2.108 %NC 0.53 0 + 93.863 118.458 147.138 -12.654 + 91.347 86.621 130.120 -6.501 + 90.110 50.579 91.235 -87.206 + 89.692 44.172 148.135 -97.140 + 89.679 44.844 123.963-133.212 + 90.209 49.202 155.450 24.469 + 90.368 45.635 128.205-161.901 + 92.034 77.509 134.626-132.608 + 90.273 -60.683 135.506-132.603 + 103.323 -67.820 180.000 180.000 + 98.730 -32.277 180.000 180.000 + 92.836 103.305 139.164-168.002 + 93.691 115.213 114.098 -78.201 + 114.544 -92.860 123.393-147.867 + 95.110 69.108 180.000 180.000 + 128.814 -75.957 109.142 -50.467 + 116.318-101.396 131.338-142.228 + 120.541-136.491 108.821-107.522 + 118.295-118.120 118.319-122.852 + 121.831 0.000 121.404 -81.037 + # 129 total E -8.73606E+01 rmsd from N 2.807 %NC 0.67 0 + 93.968 124.155 142.887 -5.450 + 91.532 88.586 137.488 -16.656 + 91.116 44.813 133.184 115.023 + 90.541 45.959 148.388 -98.176 + 89.833 46.784 124.955-123.906 + 90.530 52.087 151.298 -11.838 + 90.511 40.190 138.063-142.956 + 92.197 72.974 105.622-100.736 + 91.752 -65.560 134.892-123.262 + 113.622 -50.417 180.000 180.000 + 121.225 -55.954 180.000 180.000 + 93.932 72.134 137.781-161.566 + 92.188 121.546 123.047 136.329 + 93.810 -65.479 123.135-153.291 + 95.438 75.367 180.000 180.000 + 129.067 -85.451 141.608 -40.115 + 120.862-107.919 113.950-115.659 + 119.643-132.244 117.539-120.224 + 118.928-118.451 114.577-116.525 + 121.853 0.000 121.466 -81.043 + # 130 total E -8.71799E+01 rmsd from N 2.602 %NC 0.47 0 + 93.937 124.318 144.714 -5.999 + 91.534 89.349 135.640 -21.276 + 91.402 44.676 127.386 103.211 + 90.142 46.191 142.627 -90.630 + 89.682 45.556 120.442-129.106 + 90.065 48.405 156.790 16.597 + 90.578 43.932 143.723 179.111 + 91.899 72.276 134.626-131.871 + 90.759 -63.042 132.183-131.113 + 108.487 -69.388 180.000 180.000 + 101.149 -27.725 180.000 180.000 + 92.816 99.454 138.367-165.499 + 93.531 117.242 114.981 -78.843 + 120.062 -84.051 129.122-165.932 + 95.353 66.358 180.000 180.000 + 123.378 -88.385 110.862 -58.382 + 118.335-108.736 121.345-128.411 + 118.734-137.757 108.521-108.264 + 117.298-118.780 126.016-133.861 + 121.840 0.000 121.639 -80.924 + # 131 total E -8.70445E+01 rmsd from N 2.358 %NC 0.53 0 + 93.850 120.803 148.594 -10.658 + 91.432 82.532 126.433 -31.669 + 91.731 44.080 90.800 -82.477 + 91.002 44.804 147.456-100.492 + 89.892 42.357 119.117-115.970 + 90.908 54.174 160.440 -8.672 + 90.461 41.135 129.979-169.712 + 91.518 68.653 103.488-100.279 + 91.533 -65.199 131.758-127.513 + 114.359 -50.515 180.000 180.000 + 118.381 -65.470 180.000 180.000 + 93.338 64.386 108.430-105.180 + 93.313 127.893 112.951 123.453 + 114.805 -77.059 123.194-136.038 + 93.901 72.374 180.000 180.000 + 124.972 -64.603 133.176 -80.536 + 119.484-106.739 110.642-114.727 + 118.980-137.672 112.958-113.678 + 117.380-118.383 125.816-133.387 + 121.824 0.000 121.509 -80.966 + # 132 total E -8.74360E+01 rmsd from N 2.156 %NC 0.67 0 + 112.334 157.367 151.386 -38.655 + 91.974 82.765 129.892 -22.916 + 91.721 42.395 102.357 -84.774 + 90.985 44.766 150.934 -95.458 + 90.616 42.791 117.061-123.319 + 91.478 48.245 149.693 38.087 + 91.046 43.884 132.324-144.727 + 92.193 72.346 137.997-132.369 + 91.287 -67.073 133.938-131.794 + 112.438 -58.944 180.000 180.000 + 114.651 -62.849 180.000 180.000 + 93.383 66.625 139.714-168.135 + 93.574 113.402 109.071 61.027 + 119.174 -81.615 118.432 -83.956 + 94.525 71.535 180.000 180.000 + 124.980 -75.339 139.494 -57.138 + 119.852-111.417 109.024-111.448 + 119.780-136.765 112.887-113.689 + 117.846-118.300 122.869-128.711 + 121.845 0.000 121.454 -81.036 + # 133 total E -8.72632E+01 rmsd from N 2.115 %NC 0.67 0 + 93.853 114.897 146.933 -12.051 + 91.533 81.466 137.926 -28.297 + 91.339 44.581 125.179 115.365 + 90.334 44.625 145.385 -93.004 + 90.034 45.554 119.379-121.812 + 90.693 45.543 165.386 21.308 + 91.456 45.387 140.715-146.431 + 93.030 62.795 137.916-132.629 + 92.178 -66.630 118.295 -79.582 + 114.642 -57.764 180.000 180.000 + 118.900 -54.069 180.000 180.000 + 92.650 72.101 132.240-157.855 + 92.396 128.672 113.574 -76.974 + 120.305 -77.525 129.129-145.029 + 94.565 66.513 180.000 180.000 + 123.109 -89.429 120.757-103.542 + 119.640-109.313 119.197-125.781 + 118.564-137.411 108.985-109.190 + 117.454-118.777 125.353-132.271 + 121.848 0.000 121.631 -80.956 + # 134 total E -8.71219E+01 rmsd from N 2.600 %NC 0.67 0 + 93.851 106.705 146.402 -10.552 + 91.435 74.073 138.381 -37.077 + 91.360 44.506 126.829 121.111 + 90.584 48.220 146.647 -96.787 + 89.964 43.352 124.384-113.155 + 91.305 50.240 150.333 -13.256 + 90.958 41.282 137.917-148.180 + 92.156 72.367 104.630 -95.142 + 91.840 -68.222 133.028-127.117 + 115.370 -47.472 180.000 180.000 + 122.154 -55.807 180.000 180.000 + 93.892 68.177 138.330-163.429 + 92.642 125.536 123.367 132.697 + 96.729 -72.054 121.837-146.633 + 94.777 76.609 180.000 180.000 + 126.951 -79.802 129.309-125.188 + 120.217-112.616 112.563-116.681 + 119.148-117.215 117.238-119.723 + 118.020-118.637 119.840-124.141 + 121.837 0.000 121.533 -81.055 + # 135 total E -8.70853E+01 rmsd from N 2.759 %NC 0.60 0 + 93.853 97.206 146.703 -13.191 + 91.407 69.741 138.651 -45.623 + 91.509 47.805 168.106 13.737 + 89.737 47.339 141.584 -88.909 + 89.199 46.396 115.869-124.692 + 89.885 59.565 146.422 -92.821 + 90.054 39.852 149.210-178.033 + 91.882 68.821 105.149-107.359 + 91.633 -65.091 132.505-138.168 + 107.789 -63.331 180.000 180.000 + 101.052 -32.877 180.000 180.000 + 92.536 103.385 140.069-169.598 + 93.658 110.528 111.424 -77.486 + 129.118 -85.737 121.444 -82.274 + 95.156 84.215 180.000 180.000 + 128.709 -71.211 128.744-119.858 + 119.153-108.151 114.108-120.117 + 119.141-137.702 107.755-107.217 + 117.665-118.746 124.640-133.087 + 121.862 0.000 121.604 -80.986 + # 136 total E -8.77135E+01 rmsd from N 2.059 %NC 0.53 0 + 93.906 123.143 146.339 -7.918 + 91.360 86.372 129.391 -18.890 + 90.979 45.182 96.370 -87.489 + 90.181 45.188 148.575 -95.246 + 90.364 43.106 120.577-125.976 + 91.212 48.300 149.524 38.568 + 90.778 40.648 129.930-154.421 + 92.129 69.424 135.842-133.214 + 90.932 -64.975 133.374-125.416 + 111.921 -74.130 180.000 180.000 + 118.356 -65.527 180.000 180.000 + 92.559 65.669 139.132-168.745 + 92.074 100.140 113.364 -76.245 + 130.191 -86.932 114.278 -90.322 + 95.072 77.452 180.000 180.000 + 122.494 -77.541 113.605-133.722 + 119.443-113.238 109.411-112.428 + 119.499-138.379 111.273-111.671 + 117.183-118.256 127.193-135.377 + 121.746 0.000 121.544 -80.952 + # 137 total E -8.82134E+01 rmsd from N 2.578 %NC 0.60 0 + 93.896 117.353 144.997 -12.397 + 91.282 87.780 127.317 3.133 + 90.443 52.431 138.148 111.555 + 90.138 47.673 146.374 -93.349 + 89.452 44.599 127.773-144.987 + 89.711 51.517 144.589 -10.998 + 90.272 46.309 143.094-154.208 + 91.482 75.951 133.345-132.514 + 90.495 -56.584 129.903-139.838 + 107.626 -70.399 180.000 180.000 + 101.132 -28.330 180.000 180.000 + 92.639 101.037 139.423-167.696 + 93.073 106.764 113.689 -77.657 + 115.660 -89.452 128.090-143.133 + 94.897 80.652 180.000 180.000 + 128.307 -79.772 114.312-133.791 + 119.750-114.857 113.896-118.289 + 119.187-116.352 110.256-110.695 + 117.830-118.736 121.505-127.566 + 121.887 0.000 121.568 -81.055 + # 138 total E -8.81956E+01 rmsd from N 2.306 %NC 0.47 0 + 117.693 -96.953 147.343 -31.091 + 91.637 77.409 130.244 -27.837 + 91.882 43.466 96.323 -82.597 + 91.106 43.698 147.872-100.182 + 90.003 43.085 119.745-112.209 + 90.912 52.710 164.558 9.726 + 90.428 45.788 131.828-165.797 + 91.613 74.442 107.639-103.054 + 90.417 -65.070 130.001-137.699 + 103.339 -66.313 180.000 180.000 + 98.754 -31.907 180.000 180.000 + 92.861 104.282 139.914-168.567 + 94.439 102.826 113.480 -77.145 + 122.516 -95.032 120.217 -77.424 + 94.789 80.824 180.000 180.000 + 130.834 -69.482 128.856 -95.254 + 118.865-107.565 110.521-115.086 + 118.561-138.960 110.369-111.255 + 117.289-118.162 126.640-135.682 + 121.777 0.000 121.474 -80.892 + # 139 total E -8.74817E+01 rmsd from N 3.063 %NC 0.47 0 + 93.710 36.648 108.294 -80.514 + 91.646 73.244 136.001 -40.310 + 91.822 43.633 128.973 120.828 + 91.005 48.743 143.112 -93.929 + 89.606 41.927 126.664-102.864 + 90.574 53.727 153.781 -25.358 + 90.482 42.194 134.251 172.628 + 91.479 70.812 103.467 -98.634 + 91.373 -63.344 131.469-132.681 + 112.526 -57.132 180.000 180.000 + 111.767 -51.240 180.000 180.000 + 93.204 85.104 102.293 -64.460 + 94.034 103.476 112.846 -76.694 + 119.767 -68.402 122.195 -81.477 + 94.789 82.086 180.000 180.000 + 127.431 -66.164 142.721-142.551 + 120.309-112.899 107.865-112.789 + 120.706-138.158 110.036-108.664 + 117.494-118.786 124.514-131.491 + 121.866 0.000 121.615 -80.987 + # 140 total E -8.75923E+01 rmsd from N 2.434 %NC 0.73 0 + 93.869 106.315 146.389 -10.134 + 91.384 72.233 136.696 -42.349 + 92.148 41.584 128.360 120.371 + 91.098 48.930 144.532 -94.408 + 89.953 41.053 120.683-120.389 + 91.019 58.545 161.546 -84.237 + 90.349 38.132 141.698-173.832 + 91.929 68.703 102.066-101.591 + 91.569 -63.358 130.691-136.285 + 109.437 -66.218 180.000 180.000 + 102.589 -30.155 180.000 180.000 + 92.671 99.832 132.873-158.539 + 93.309 116.974 112.315 -78.794 + 124.581 -93.974 132.342-156.754 + 95.963 80.990 180.000 180.000 + 131.642 -85.496 123.476-117.845 + 119.763-111.185 114.551-120.107 + 118.758-139.920 108.604-108.328 + 116.656-118.567 130.998-141.657 + 121.745 0.000 121.644 -80.735 + # 141 total E -8.72138E+01 rmsd from N 3.012 %NC 0.67 0 + 115.629 172.461 151.993 -12.993 + 91.663 75.135 135.429 -43.847 + 91.929 45.489 126.171 120.537 + 90.778 46.079 146.988 -96.713 + 89.743 46.247 122.860-106.972 + 90.874 48.997 159.635 -3.236 + 90.927 49.181 136.251-151.413 + 92.445 73.762 110.846-102.971 + 91.477 -67.997 96.489 -72.686 + 108.913 -52.597 180.000 180.000 + 92.690 -35.960 180.000 180.000 + 96.032 136.575 109.191 -92.881 + 92.730 88.315 112.817 -76.891 + 135.704 -90.821 118.191 -82.419 + 94.340 88.259 180.000 180.000 + 127.568 -61.470 133.211-108.630 + 118.761-110.334 108.678-114.678 + 121.262-137.157 111.737-110.716 + 118.069-118.579 121.215-126.445 + 121.885 0.000 121.514 -81.080 + # 142 total E -8.70718E+01 rmsd from N 2.564 %NC 0.53 0 + 115.118 169.690 152.766 -15.512 + 91.580 75.576 139.475 -47.092 + 91.035 50.174 116.567 -65.432 + 90.423 50.093 151.069 -90.539 + 89.756 42.367 120.935-122.841 + 90.486 56.624 127.929 -92.646 + 90.018 40.222 132.569-164.456 + 92.407 66.470 130.303-136.557 + 91.502 -63.364 141.319-137.970 + 109.595 -65.618 180.000 180.000 + 100.785 -29.729 180.000 180.000 + 92.711 104.289 143.997-174.389 + 92.672 99.930 113.178 -77.018 + 123.546 -88.310 117.964 -84.139 + 95.687 82.836 180.000 180.000 + 132.360 -79.769 126.024-118.235 + 119.756-108.005 118.328-125.632 + 119.370-136.262 106.910-106.305 + 118.129-118.700 121.006-125.477 + 121.899 0.000 121.544 -81.091 + # 143 total E -8.74516E+01 rmsd from N 2.200 %NC 0.53 0 + 93.986 127.464 143.257 -0.094 + 91.420 89.099 136.672 -21.732 + 91.027 44.734 119.007 107.072 + 89.989 47.105 146.859 -90.814 + 90.113 46.227 121.254-130.548 + 90.303 49.451 147.594 38.256 + 90.356 42.649 138.685-148.716 + 92.204 71.152 134.033-135.260 + 91.074 -66.933 138.395-120.922 + 110.142 -66.100 180.000 180.000 + 120.247 -62.159 180.000 180.000 + 92.798 72.742 138.350-166.447 + 92.045 99.235 113.665 -76.842 + 107.582 -82.688 123.178-135.367 + 96.166 86.739 180.000 180.000 + 132.917 -64.386 160.350-118.050 + 122.326-139.774 104.801-105.703 + 119.455-111.951 113.896-115.089 + 116.984-118.535 129.785-138.687 + 121.773 0.000 121.598 -80.818 + # 144 total E -8.69618E+01 rmsd from N 2.594 %NC 0.60 0 + 114.894 171.101 154.538 -15.397 + 91.713 74.771 136.998 -48.166 + 91.157 50.044 121.083 114.934 + 89.627 45.875 146.183 -89.548 + 89.855 44.028 119.359-118.801 + 90.272 51.915 158.753 41.971 + 90.262 42.489 139.009-164.569 + 91.877 70.656 132.681-133.872 + 90.782 -63.031 134.568-130.122 + 107.544 -67.702 180.000 180.000 + 102.007 -33.062 180.000 180.000 + 92.409 99.000 140.471-169.598 + 93.568 91.548 111.800 -78.902 + 119.156 -84.848 138.603-165.043 + 96.623 91.098 180.000 180.000 + 128.313 -81.817 146.163-130.491 + 121.594-115.339 109.411-112.815 + 119.249-135.945 112.575-113.467 + 118.256-118.653 120.287-123.199 + 121.885 0.000 121.537 -81.068 + # 145 total E -8.77030E+01 rmsd from N 2.804 %NC 0.53 0 + 93.885 114.394 145.275 -13.029 + 91.286 85.666 130.565 -3.299 + 91.302 43.321 140.530 114.800 + 90.241 52.764 139.597 -88.889 + 89.343 45.355 123.260-140.347 + 89.408 53.782 131.979 -29.859 + 89.780 47.066 145.559-175.999 + 91.211 79.342 89.429 -68.828 + 90.096 -59.254 137.899-125.489 + 105.353 -70.919 180.000 180.000 + 99.640 -24.782 180.000 180.000 + 93.427 105.855 133.481-157.510 + 92.957 102.072 116.580 -75.749 + 109.905 -85.261 116.763 -77.725 + 95.279 87.410 180.000 180.000 + 136.851 -71.329 145.313 -62.685 + 120.399-106.727 106.370-108.092 + 116.796-138.986 107.820-108.904 + 117.396-118.635 126.542-136.831 + 121.812 0.000 121.614 -80.884 + # 146 total E -8.69808E+01 rmsd from N 2.369 %NC 0.53 0 + 93.950 126.748 144.562 -1.734 + 91.441 87.155 136.734 -26.027 + 91.317 44.413 119.121 108.243 + 90.394 46.265 148.528 -91.782 + 90.311 45.665 119.879-126.369 + 90.755 49.790 149.135 35.031 + 90.504 42.237 139.453-139.259 + 92.304 71.543 133.966-135.535 + 91.671 -71.105 138.560-118.390 + 113.548 -48.495 180.000 180.000 + 121.607 -69.072 180.000 180.000 + 94.391 61.750 136.513-160.640 + 92.951 111.832 126.104 138.757 + 93.639 -72.516 119.580-144.822 + 96.052 83.956 180.000 180.000 + 134.365 -67.407 154.244-135.666 + 121.966-134.194 103.929-105.099 + 118.822-112.097 121.460-124.880 + 116.901-118.539 129.976-137.735 + 121.774 0.000 121.589 -80.814 + # 147 total E -8.71625E+01 rmsd from N 2.188 %NC 0.67 0 + 93.866 116.502 146.823 -11.753 + 91.532 81.776 137.462 -28.415 + 91.474 44.390 125.185 114.462 + 90.453 44.268 146.091 -93.155 + 90.125 45.968 118.684-121.502 + 90.846 45.175 163.308 22.744 + 91.513 45.917 140.514-139.931 + 93.047 62.608 138.262-132.495 + 92.496 -69.293 116.611 -77.059 + 116.514 -47.222 180.000 180.000 + 122.354 -60.636 180.000 180.000 + 93.467 63.826 130.839-154.904 + 92.719 132.729 122.643 124.265 + 116.368 -70.534 127.626-147.873 + 94.292 65.794 180.000 180.000 + 120.992 -91.068 121.569-103.786 + 119.895-109.314 117.882-123.630 + 118.587-136.985 111.293-112.065 + 117.620-118.816 124.173-130.070 + 121.865 0.000 121.605 -80.991 + # 148 total E -9.08499E+01 rmsd from N 2.314 %NC 0.53 0 + 93.858 122.306 148.578 -9.163 + 91.452 83.383 127.963 -32.560 + 91.866 44.199 92.897 -82.730 + 91.054 43.890 147.681 -99.627 + 90.004 42.858 119.518-113.433 + 90.967 52.560 164.375 11.029 + 90.464 46.084 131.713-166.438 + 91.612 74.444 108.128-102.980 + 90.421 -65.216 129.804-137.876 + 103.302 -66.277 180.000 180.000 + 98.756 -31.879 180.000 180.000 + 92.857 104.220 139.920-168.548 + 94.389 102.548 113.483 -77.138 + 122.742 -95.192 119.894 -77.613 + 94.722 81.052 180.000 180.000 + 130.863 -69.066 129.411 -94.929 + 118.976-107.777 109.605-113.853 + 118.423-139.260 110.483-111.530 + 117.211-118.164 127.215-136.631 + 121.733 0.000 121.458 -80.863 + # 149 total E -8.80708E+01 rmsd from N 2.124 %NC 0.60 0 + 93.867 121.195 147.939 -9.724 + 91.396 84.225 125.144 -27.051 + 91.264 45.474 92.125 -84.640 + 90.799 43.787 148.243 -98.854 + 90.164 43.820 121.828-112.704 + 90.319 52.744 159.020 27.829 + 90.143 50.444 129.840-166.779 + 91.269 73.680 113.946-109.002 + 90.289 -67.980 136.741-125.735 + 102.312 -69.101 180.000 180.000 + 105.040 -40.620 180.000 180.000 + 92.532 95.620 141.569-171.511 + 92.712 96.913 109.680 -77.141 + 137.156 -93.594 117.235 -87.016 + 93.778 83.043 180.000 180.000 + 124.424 -78.111 155.478 -38.263 + 118.388-109.821 111.286-115.885 + 117.925-136.571 111.141-112.216 + 116.414-118.371 128.649-138.552 + 121.755 0.000 121.523 -80.850 + # 150 total E -8.93945E+01 rmsd from N 2.316 %NC 0.53 0 + 116.591-179.751 115.248 -82.102 + 91.571 84.005 127.967 -33.284 + 92.064 43.771 93.145 -82.736 + 91.062 44.125 148.576 -99.426 + 89.980 42.741 119.529-113.418 + 90.938 52.606 164.299 11.135 + 90.464 46.084 131.695-166.044 + 91.613 74.507 108.128-102.943 + 90.411 -65.164 129.842-137.911 + 103.267 -66.256 180.000 180.000 + 98.738 -31.928 180.000 180.000 + 92.856 104.211 139.901-168.547 + 94.395 102.601 113.459 -77.142 + 122.757 -95.165 119.888 -77.599 + 94.722 80.995 180.000 180.000 + 130.808 -69.140 129.382 -94.837 + 118.978-107.783 109.683-113.948 + 118.442-139.225 110.480-111.509 + 117.220-118.170 127.140-136.500 + 121.769 0.000 121.485 -80.871 + # 151 total E -8.93604E+01 rmsd from N 2.296 %NC 0.53 0 + 111.878 157.754 153.061 -40.145 + 92.092 81.665 132.332 -29.787 + 92.061 42.079 100.591 -80.682 + 91.224 44.192 149.426 -95.404 + 90.136 42.442 117.546-118.700 + 90.841 50.352 163.754 29.867 + 90.653 46.275 132.129-162.068 + 92.028 75.076 135.808-130.318 + 90.388 -64.590 131.110-137.310 + 102.602 -65.555 180.000 180.000 + 98.427 -33.119 180.000 180.000 + 92.820 104.281 139.784-168.806 + 94.511 103.141 113.036 -77.262 + 123.219 -95.587 119.279 -77.358 + 94.700 79.904 180.000 180.000 + 129.776 -69.899 128.584 -91.623 + 119.021-108.731 110.021-114.274 + 119.008-138.606 110.742-111.532 + 117.358-118.181 125.908-133.864 + 121.792 0.000 121.467 -80.926 + # 152 total E -8.94619E+01 rmsd from N 2.307 %NC 0.60 0 + 111.718 157.860 153.759 -40.251 + 92.118 81.438 132.011 -31.461 + 92.247 41.960 100.273 -79.816 + 91.389 44.432 149.514 -99.754 + 90.070 42.236 120.043-112.341 + 90.999 52.877 164.760 12.678 + 90.483 45.934 131.912-164.493 + 91.646 74.657 107.766-102.616 + 90.414 -65.028 129.791-138.396 + 103.081 -65.986 180.000 180.000 + 98.638 -32.174 180.000 180.000 + 92.853 104.290 139.855-168.602 + 94.460 103.039 113.418 -77.164 + 122.623 -95.119 120.132 -77.441 + 94.774 80.517 180.000 180.000 + 130.580 -69.688 128.640 -94.632 + 118.868-107.814 110.733-115.346 + 118.752-138.773 110.428-111.215 + 117.332-118.170 126.241-134.856 + 121.784 0.000 121.471 -80.908 + # 153 total E -8.74327E+01 rmsd from N 3.052 %NC 0.53 0 + 115.737 172.043 151.307 -12.842 + 91.644 75.977 135.266 -42.323 + 91.976 43.326 128.621 120.926 + 91.063 48.962 143.892 -93.411 + 89.615 41.634 126.625-103.477 + 90.586 53.917 153.549 -25.831 + 90.488 42.321 134.404 172.983 + 91.460 70.751 103.508 -98.653 + 91.373 -63.398 131.416-132.613 + 112.593 -56.939 180.000 180.000 + 111.957 -51.542 180.000 180.000 + 93.196 84.723 102.230 -64.350 + 94.000 103.791 112.902 -76.675 + 119.422 -68.392 121.968 -81.438 + 94.757 82.137 180.000 180.000 + 127.560 -66.143 142.723-142.640 + 120.307-112.947 107.777-112.659 + 120.725-138.095 110.090-108.736 + 117.514-118.783 124.375-131.235 + 121.867 0.000 121.613 -80.992 + # 154 total E -8.79500E+01 rmsd from N 2.352 %NC 0.53 0 + 93.707 40.221 108.986 -81.021 + 91.900 81.100 134.933 -26.802 + 93.628 36.237 176.435-178.357 + 92.178 49.549 140.953 -99.435 + 90.479 40.186 114.620-123.186 + 91.262 51.755 164.289 19.565 + 90.589 45.374 134.349-174.023 + 91.809 75.551 110.048 -99.622 + 90.266 -65.704 130.422-138.309 + 102.890 -66.463 180.000 180.000 + 98.194 -31.433 180.000 180.000 + 93.019 104.651 139.264-167.302 + 94.415 102.075 114.131 -76.988 + 122.932 -95.433 119.730 -77.540 + 94.695 80.892 180.000 180.000 + 130.643 -68.466 129.401 -93.293 + 118.891-107.341 109.405-113.643 + 118.326-141.234 110.655-111.812 + 118.303-108.802 127.125-135.723 + 120.752 0.000 119.082 -80.250 + # 155 total E -8.69704E+01 rmsd from N 3.110 %NC 0.60 0 + 119.120-114.925 110.152 -82.775 + 91.634 70.315 136.357 -41.484 + 91.943 43.305 128.072 121.678 + 91.087 49.295 143.553 -94.250 + 89.737 41.424 125.869-105.551 + 90.856 52.892 152.524 -26.075 + 90.667 41.192 134.872 178.198 + 91.721 69.810 103.021 -96.360 + 91.763 -65.426 132.906-124.973 + 115.853 -46.118 180.000 180.000 + 118.997 -58.729 180.000 180.000 + 93.548 72.202 104.085 -75.355 + 93.071 116.797 126.500 123.944 + 110.364 -65.731 127.177-135.057 + 94.143 79.670 180.000 180.000 + 125.694 -66.997 139.967-141.494 + 120.859-112.146 109.292-114.445 + 120.228-138.088 111.091-110.317 + 117.445-118.799 124.453-130.745 + 121.869 0.000 121.618 -80.991 + # 156 total E -8.70639E+01 rmsd from N 3.011 %NC 0.47 0 + 93.833 93.823 147.487 -15.037 + 91.580 76.421 139.341 -33.710 + 91.330 47.189 176.413 179.386 + 89.271 51.918 132.158 -84.336 + 89.036 48.953 117.307-133.484 + 88.999 58.883 114.962 -50.743 + 89.535 47.138 156.800-179.507 + 91.124 73.927 89.573 -72.635 + 90.816 -58.587 142.566-130.552 + 109.806 -72.337 180.000 180.000 + 102.287 -25.098 180.000 180.000 + 92.934 103.187 138.258-165.088 + 92.363 88.235 113.852 -76.637 + 118.604 -85.920 118.549 -84.839 + 95.928 96.729 180.000 180.000 + 133.879 -77.258 131.164-146.390 + 120.652-109.829 108.714-111.816 + 118.101-140.106 107.572-107.547 + 116.971-118.686 129.436-140.756 + 121.792 0.000 121.648 -80.826 + # 157 total E -8.80022E+01 rmsd from N 3.477 %NC 0.53 0 + 93.937 119.691 143.225 -10.165 + 91.621 88.350 139.028 -14.608 + 91.291 42.135 144.043 110.516 + 90.836 48.406 141.589 -90.469 + 89.589 44.519 119.753-132.692 + 89.470 60.969 140.030 -34.082 + 89.881 42.528 141.308 170.054 + 91.107 73.364 92.083 -77.624 + 91.325 -53.752 135.633-133.903 + 111.721 -67.357 180.000 180.000 + 102.039 -31.396 180.000 180.000 + 92.639 100.730 109.504 -89.182 + 93.289 102.421 112.343 -79.453 + 119.640 -73.808 130.597-154.686 + 95.384 82.989 180.000 180.000 + 127.288 -71.401 151.714 -27.536 + 119.815-110.018 107.148-107.617 + 119.846-137.783 108.926-108.448 + 117.592-118.816 124.015-132.192 + 121.864 0.000 121.629 -80.976 + # 158 total E -8.69332E+01 rmsd from N 2.337 %NC 0.60 0 + 111.900 158.341 153.935 -38.894 + 92.093 80.934 131.382 -31.965 + 92.428 41.546 100.881 -79.697 + 91.499 44.255 150.202-100.588 + 90.166 42.805 119.824-111.191 + 91.239 52.081 163.421 14.631 + 90.609 45.296 132.044-158.124 + 91.750 73.955 107.208-101.236 + 90.476 -66.630 129.000-138.185 + 103.695 -65.571 180.000 180.000 + 98.434 -31.179 180.000 180.000 + 92.960 104.821 108.320-102.024 + 94.361 101.422 113.951 -77.387 + 119.278 -93.338 119.013 -77.645 + 94.690 79.938 180.000 180.000 + 131.688 -70.588 126.311 -97.004 + 119.048-107.451 110.095-114.474 + 118.308-138.161 111.616-112.473 + 117.354-118.211 126.292-134.597 + 121.832 0.000 121.507 -80.932 + # 159 total E -8.74478E+01 rmsd from N 1.830 %NC 0.67 0 + 93.899 124.675 144.826 -5.413 + 91.506 87.723 137.347 -22.893 + 91.124 45.046 124.144 110.515 + 89.931 45.682 146.470 -91.324 + 90.042 45.249 121.413-127.413 + 90.360 47.546 160.538 35.125 + 90.780 43.505 141.566-147.085 + 92.105 70.492 136.213-134.053 + 90.759 -67.859 135.391-117.752 + 109.090 -61.040 180.000 180.000 + 113.882 -55.805 180.000 180.000 + 92.464 75.426 131.966-157.923 + 92.869 133.266 113.183 -76.863 + 113.612 -78.547 126.507-139.799 + 94.173 63.698 180.000 180.000 + 124.577 -86.832 111.440 -92.685 + 119.173-107.678 120.627-127.820 + 118.340-135.721 109.791-110.491 + 118.223-118.721 120.317-124.955 + 121.885 0.000 121.566 -81.052 + # 160 total E -8.77191E+01 rmsd from N 2.117 %NC 0.67 0 + 93.856 110.200 147.030 -11.766 + 91.533 78.967 136.775 -29.839 + 91.828 43.969 126.447 113.917 + 90.664 44.413 142.993 -94.068 + 89.907 44.755 119.532-116.531 + 90.514 51.304 167.354 10.837 + 90.576 43.728 142.737-175.552 + 91.727 71.985 108.042-101.696 + 90.879 -65.556 130.365-134.639 + 105.795 -65.587 180.000 180.000 + 100.705 -31.152 180.000 180.000 + 92.573 100.195 132.830-158.483 + 93.656 121.595 112.984 -78.535 + 118.247 -90.263 125.496-152.102 + 95.058 70.519 180.000 180.000 + 129.942 -85.753 109.843-107.513 + 118.753-107.346 120.692-128.425 + 118.249-137.662 108.058-108.118 + 117.446-118.769 125.418-132.866 + 121.849 0.000 121.628 -80.947 + # 161 total E -8.89318E+01 rmsd from N 2.366 %NC 0.60 0 + 116.604-179.671 115.196 -82.068 + 91.553 83.708 127.470 -34.415 + 92.175 43.347 93.421 -82.726 + 91.114 44.390 148.539 -99.525 + 90.023 42.335 119.008-114.194 + 90.998 52.758 165.152 9.663 + 90.464 44.829 131.982-165.741 + 91.589 73.372 107.240-101.898 + 90.525 -64.463 130.765-136.123 + 104.731 -66.855 180.000 180.000 + 99.499 -31.860 180.000 180.000 + 92.741 102.003 139.931-168.449 + 93.367 107.266 113.172 -77.933 + 121.546 -96.955 123.163-134.469 + 94.405 77.757 180.000 180.000 + 129.761 -67.727 125.832 -97.225 + 118.847-107.131 110.123-114.600 + 118.384-138.821 110.249-111.227 + 117.414-118.228 125.864-134.899 + 121.787 0.000 121.488 -80.906 + # 162 total E -8.78644E+01 rmsd from N 2.120 %NC 0.60 0 + 112.623 156.786 149.934 -38.381 + 91.986 86.265 134.229 -18.220 + 90.905 45.154 104.341 -85.990 + 89.981 43.977 148.936 -98.039 + 90.977 43.882 122.207-125.317 + 91.475 44.533 140.509 80.262 + 91.523 44.555 129.752-143.340 + 93.092 74.316 140.528-133.312 + 90.921 -68.158 141.910-138.990 + 105.924 -59.097 180.000 180.000 + 108.159 -62.261 180.000 180.000 + 92.668 77.517 136.853-165.045 + 93.416 101.951 113.092 -76.538 + 122.240 -84.514 124.003 -83.847 + 96.463 78.876 180.000 180.000 + 121.766 -79.031 145.238 -37.748 + 120.327-113.243 110.993-113.101 + 120.283-136.347 110.745-110.604 + 118.093-118.367 121.431-126.200 + 121.865 0.000 121.455 -81.074 + # 163 total E -8.74956E+01 rmsd from N 2.347 %NC 0.53 0 + 116.714 169.623 145.070 -11.699 + 91.486 81.207 133.724 -26.247 + 93.438 36.834 176.439 178.943 + 91.925 49.094 141.035 -96.153 + 90.432 40.795 113.383-125.535 + 91.073 50.012 163.208 29.899 + 90.736 45.536 134.708-172.072 + 92.120 75.893 136.667-128.775 + 90.193 -65.106 131.604-136.882 + 102.585 -66.433 180.000 180.000 + 98.007 -32.006 180.000 180.000 + 92.991 104.652 139.314-167.747 + 94.459 102.102 114.009 -76.906 + 123.287 -95.839 119.093 -77.593 + 94.640 80.663 180.000 180.000 + 130.011 -68.704 129.387 -91.367 + 118.971-107.946 108.882-112.900 + 118.472-141.211 110.860-111.981 + 118.367-108.329 126.999-135.212 + 120.774 0.000 118.868 -80.428 + # 164 total E -8.83694E+01 rmsd from N 3.077 %NC 0.53 0 + 93.866 102.020 146.328 -10.831 + 91.454 71.725 135.519 -38.954 + 91.705 43.720 129.748 120.409 + 90.944 48.589 142.615 -92.589 + 89.566 42.281 123.728-111.906 + 90.526 53.891 153.689 -25.328 + 90.439 42.275 134.381 172.314 + 91.488 71.152 104.336 -99.350 + 91.322 -63.131 131.334-133.755 + 112.059 -58.011 180.000 180.000 + 110.860 -49.780 180.000 180.000 + 93.202 86.894 102.630 -65.120 + 94.123 102.639 112.559 -76.784 + 120.334 -69.087 122.271 -81.242 + 94.793 82.517 180.000 180.000 + 127.622 -65.866 141.978-142.457 + 120.296-113.020 107.818-112.794 + 120.723-138.203 109.994-108.579 + 117.489-118.789 124.582-131.634 + 121.865 0.000 121.616 -80.984 + # 165 total E -8.74963E+01 rmsd from N 2.349 %NC 0.53 0 + 116.841 169.888 144.926 -10.246 + 91.437 80.750 133.865 -26.119 + 93.391 36.773 176.438 179.040 + 91.930 49.109 140.909 -96.360 + 90.438 40.618 113.549-125.520 + 91.113 50.088 163.675 29.404 + 90.708 45.249 134.803-172.428 + 92.120 75.861 136.694-129.090 + 90.229 -65.176 131.768-136.856 + 102.606 -66.410 180.000 180.000 + 98.094 -32.043 180.000 180.000 + 92.998 104.622 139.244-167.437 + 94.468 102.205 113.802 -77.101 + 123.243 -95.609 119.228 -77.359 + 94.684 80.457 180.000 180.000 + 130.222 -68.608 129.178 -91.637 + 118.956-107.847 109.150-113.255 + 118.503-141.041 110.812-111.962 + 118.397-108.250 126.891-135.029 + 120.652 0.000 118.876 -80.310 + # 166 total E -8.74959E+01 rmsd from N 2.349 %NC 0.53 0 + 116.993 170.041 144.913 -10.308 + 91.428 80.662 133.864 -26.016 + 93.402 36.774 176.438 179.115 + 91.889 49.133 140.890 -96.259 + 90.449 40.651 113.590-125.661 + 91.111 50.065 163.679 29.963 + 90.705 45.197 134.734-172.259 + 92.117 75.884 136.726-129.182 + 90.179 -65.183 131.862-136.963 + 102.599 -66.385 180.000 180.000 + 98.003 -32.073 180.000 180.000 + 92.996 104.706 139.199-167.377 + 94.480 102.177 113.944 -77.071 + 123.209 -95.770 119.254 -77.428 + 94.656 80.627 180.000 180.000 + 130.036 -68.722 129.233 -91.478 + 118.937-107.933 109.177-113.297 + 118.511-141.201 110.808-111.884 + 118.432-108.293 126.655-134.752 + 120.677 0.000 118.808 -80.311 + # 167 total E -8.74979E+01 rmsd from N 2.347 %NC 0.53 0 + 116.930 170.098 144.927 -10.645 + 91.440 80.681 133.803 -25.961 + 93.416 36.806 176.440 178.965 + 91.928 48.967 140.935 -96.272 + 90.439 40.789 113.383-125.408 + 91.084 49.960 163.171 29.705 + 90.715 45.505 134.784-172.296 + 92.109 75.925 136.732-128.892 + 90.199 -65.151 131.755-136.829 + 102.585 -66.397 180.000 180.000 + 98.082 -32.077 180.000 180.000 + 92.984 104.596 139.270-167.525 + 94.450 102.184 113.836 -77.070 + 123.297 -95.693 119.089 -77.451 + 94.640 80.504 180.000 180.000 + 130.117 -68.681 129.344 -91.434 + 118.994-107.906 108.997-113.020 + 118.491-141.176 110.828-111.972 + 118.394-108.208 126.957-135.147 + 120.708 0.000 118.905 -80.269 + # 168 total E -8.75040E+01 rmsd from N 2.354 %NC 0.60 0 + 116.973 170.688 145.034 -10.261 + 91.452 80.390 134.270 -26.773 + 93.591 36.085 176.436-179.363 + 92.130 49.470 141.147 -99.324 + 90.451 40.294 114.365-123.366 + 91.229 51.702 164.245 18.953 + 90.573 45.274 134.295-173.949 + 91.807 75.566 110.046 -99.604 + 90.248 -65.674 130.507-138.168 + 102.919 -66.530 180.000 180.000 + 98.199 -31.375 180.000 180.000 + 93.026 104.654 139.217-167.217 + 94.417 102.102 114.163 -76.980 + 122.906 -95.342 119.775 -77.500 + 94.702 80.924 180.000 180.000 + 130.659 -68.517 129.415 -93.405 + 118.883-107.240 109.527-113.811 + 118.271-141.188 110.611-111.775 + 118.332-108.781 127.058-135.655 + 120.751 0.000 119.058 -80.262 + # 169 total E -8.71928E+01 rmsd from N 2.060 %NC 0.53 0 + 93.888 121.898 146.716 -9.123 + 91.295 84.405 126.195 -18.752 + 91.178 45.390 94.932 -89.316 + 90.316 44.488 149.948 -96.146 + 89.958 43.944 117.235-125.268 + 90.984 52.905 125.850 36.071 + 89.960 42.033 132.780-157.982 + 91.699 64.201 131.886-138.028 + 92.203 -72.757 139.763 -29.124 + 119.344 -77.335 180.000 180.000 + 116.893 -57.995 180.000 180.000 + 92.534 68.569 139.278-169.517 + 95.160 94.466 112.845 -75.707 + 127.210 -87.661 151.072 -30.007 + 95.950 80.172 180.000 180.000 + 129.526 -75.277 144.342 -50.165 + 119.027-109.006 112.496-116.104 + 120.207-139.377 110.304-109.979 + 116.939-117.964 128.588-137.870 + 121.751 0.000 121.423 -80.873 + # 170 total E -8.90199E+01 rmsd from N 2.356 %NC 0.67 0 + 111.778 158.230 154.231 -39.151 + 92.110 81.005 131.697 -32.452 + 92.345 41.520 100.719 -79.801 + 91.445 44.719 149.462 -99.802 + 90.116 41.798 119.542-113.190 + 91.063 53.019 165.681 11.687 + 90.483 44.660 132.222-164.173 + 91.626 73.512 106.897-101.526 + 90.530 -64.316 130.799-136.524 + 104.540 -66.605 180.000 180.000 + 99.402 -32.140 180.000 180.000 + 92.737 102.082 139.892-168.533 + 93.411 107.775 113.145 -77.981 + 121.468 -96.952 123.353-135.335 + 94.454 77.194 180.000 180.000 + 129.454 -68.248 125.030 -96.903 + 118.729-107.182 111.179-115.997 + 118.712-138.348 110.237-110.969 + 117.531-118.204 124.921-133.216 + 121.803 0.000 121.471 -80.943 + # 171 total E -8.87138E+01 rmsd from N 2.888 %NC 0.60 0 + 115.918 174.202 151.464 -12.042 + 91.591 74.183 136.176 -47.778 + 92.142 43.695 123.625 123.085 + 90.924 48.354 144.981 -95.059 + 89.788 42.175 123.317-110.745 + 90.955 51.421 156.894 -16.057 + 90.653 42.840 136.310-173.724 + 91.672 72.433 105.393 -97.534 + 90.699 -62.424 129.350-138.608 + 108.706 -69.309 180.000 180.000 + 101.245 -26.530 180.000 180.000 + 92.937 99.314 136.393-162.185 + 92.697 99.423 114.284 -77.984 + 124.800 -88.335 126.232-139.391 + 94.811 84.311 180.000 180.000 + 129.213 -75.260 132.764-133.460 + 120.657-114.811 110.357-116.185 + 119.740-136.141 109.596-109.104 + 118.038-118.741 121.454-125.869 + 121.891 0.000 121.571 -81.060 + # 172 total E -8.90766E+01 rmsd from N 2.304 %NC 0.53 0 + 115.430 171.530 154.524-113.719 + 91.156 73.115 129.315 -23.700 + 91.294 45.049 92.205 -81.857 + 90.964 42.765 144.720-102.048 + 90.027 43.800 119.134-112.516 + 90.932 52.476 164.465 7.345 + 90.395 45.690 131.654-167.335 + 91.591 74.192 107.590-103.305 + 90.430 -65.205 130.094-137.079 + 103.594 -66.609 180.000 180.000 + 98.868 -31.594 180.000 180.000 + 92.873 104.282 139.936-168.454 + 94.401 102.565 113.564 -77.118 + 122.437 -94.952 120.245 -77.461 + 94.794 81.210 180.000 180.000 + 131.123 -69.191 129.163 -96.018 + 118.871-107.356 110.234-114.751 + 118.354-139.231 110.310-111.303 + 117.243-118.179 127.067-136.559 + 121.770 0.000 121.489 -80.871 + # 173 total E -8.72396E+01 rmsd from N 2.829 %NC 0.67 0 + 115.728 169.995 150.426 -13.138 + 91.657 79.171 142.520-110.634 + 90.966 58.299 133.998 114.886 + 89.256 49.993 145.286 -96.906 + 89.278 44.527 123.462 -91.514 + 90.610 52.217 156.906 -9.163 + 90.538 40.683 134.370-166.236 + 91.887 73.102 101.871 -97.901 + 90.868 -59.507 130.709-137.362 + 108.900 -70.036 180.000 180.000 + 101.264 -26.515 180.000 180.000 + 93.074 100.008 139.117-166.533 + 93.393 106.170 115.300 -78.780 + 126.217 -87.544 133.202-161.095 + 95.772 74.292 180.000 180.000 + 123.838 -79.779 131.390 -92.361 + 119.925-110.492 117.327-123.321 + 119.622-133.682 109.316-108.938 + 118.486-118.674 117.831-121.826 + 121.889 0.000 121.533 -81.077 + # 174 total E -8.72352E+01 rmsd from N 3.055 %NC 0.60 0 + 115.766 172.427 151.358 -12.719 + 91.625 75.643 136.022 -44.063 + 91.918 43.902 127.815 121.381 + 90.881 49.896 144.340 -93.779 + 89.703 41.365 125.900-108.916 + 90.819 52.876 152.004 -24.655 + 90.715 40.636 134.809-179.065 + 91.828 70.056 103.001 -96.015 + 91.768 -63.588 132.635-128.229 + 115.872 -48.238 180.000 180.000 + 120.956 -59.607 180.000 180.000 + 93.410 68.402 102.052 -89.491 + 93.023 118.969 122.714 128.789 + 113.393 -67.224 126.514-135.826 + 94.004 78.797 180.000 180.000 + 124.927 -63.609 143.549-136.568 + 120.470-110.957 109.189-114.338 + 120.473-138.051 111.132-110.121 + 117.532-118.810 124.154-130.370 + 121.877 0.000 121.614 -81.010 + # 175 total E -8.80846E+01 rmsd from N 2.492 %NC 0.60 0 + 93.981 124.867 142.452 -4.402 + 91.477 90.202 137.300 -14.963 + 90.364 47.945 128.678 112.291 + 89.337 43.925 147.776 -91.559 + 89.461 48.029 123.106-132.707 + 89.401 51.678 157.939 33.983 + 90.168 42.127 139.712-151.913 + 92.187 73.807 129.350-134.454 + 91.074 -59.737 135.641-131.743 + 105.987 -66.036 180.000 180.000 + 102.361 -35.107 180.000 180.000 + 92.651 99.200 138.569-167.440 + 93.306 105.771 111.247 -78.884 + 95.600 -84.586 127.605-179.202 + 96.655 91.881 180.000 180.000 + 130.111 -86.151 136.733 -42.003 + 120.671-111.085 118.059-121.927 + 119.413-117.728 111.093-111.272 + 118.082-118.685 119.319-124.025 + 121.893 0.000 121.538 -81.083 + # 176 total E -8.70536E+01 rmsd from N 2.384 %NC 0.60 0 + 116.946 170.214 144.953 -10.316 + 91.442 80.354 134.171 -26.363 + 93.491 36.137 176.441 179.290 + 92.026 49.546 141.026 -96.500 + 90.512 40.180 113.436-125.818 + 91.144 50.414 164.134 30.449 + 90.703 44.389 135.372-171.370 + 92.096 74.813 136.706-130.226 + 90.314 -64.463 133.361-133.797 + 103.958 -66.873 180.000 180.000 + 98.805 -32.227 180.000 180.000 + 92.863 102.301 139.192-167.289 + 93.407 106.965 113.532 -78.006 + 122.139 -97.684 121.475-134.644 + 94.354 77.151 180.000 180.000 + 128.954 -67.256 125.893 -93.257 + 118.825-107.282 109.381-113.583 + 118.457-140.746 110.651-111.746 + 118.635-108.100 125.298-132.893 + 120.699 0.000 118.891 -80.261 + # 177 total E -8.71226E+01 rmsd from N 2.795 %NC 0.53 0 + 119.064-143.196 111.811 -79.638 + 91.216 85.602 131.034 5.179 + 90.458 49.611 137.514 110.939 + 89.621 46.657 145.869 -91.990 + 89.171 47.143 127.100-144.184 + 89.488 49.197 146.523 -7.027 + 90.254 45.546 140.220-156.926 + 91.754 76.840 133.499-132.558 + 90.389 -58.320 131.669-139.140 + 106.097 -70.687 180.000 180.000 + 100.594 -29.027 180.000 180.000 + 92.963 103.103 138.051-165.592 + 94.163 95.095 113.243 -77.067 + 125.966 -81.193 126.985 -78.270 + 96.360 81.490 180.000 180.000 + 128.456 -83.343 146.200 -32.960 + 119.907-113.083 111.738-113.422 + 119.808-134.347 110.333-110.571 + 118.397-118.674 118.783-122.711 + 121.891 0.000 121.536 -81.079 + # 178 total E -8.77638E+01 rmsd from N 2.156 %NC 0.53 0 + 93.710 62.811 110.176 -80.667 + 91.472 83.614 126.441 -22.476 + 91.522 44.257 96.611 -87.755 + 90.683 44.572 150.041 -95.416 + 90.520 43.140 117.244-123.869 + 91.436 48.083 149.062 37.347 + 91.029 44.167 132.294-146.082 + 92.148 72.074 137.656-132.393 + 91.296 -67.179 133.762-131.647 + 112.673 -59.352 180.000 180.000 + 115.012 -62.708 180.000 180.000 + 93.386 66.236 139.678-168.043 + 93.551 112.828 109.249 61.323 + 119.874 -81.858 118.287 -84.050 + 94.510 71.816 180.000 180.000 + 124.927 -74.823 140.197 -55.330 + 119.905-111.522 107.929-109.863 + 119.532-137.040 112.833-113.816 + 117.715-118.328 123.761-130.165 + 121.840 0.000 121.473 -81.015 + # 179 total E -8.74161E+01 rmsd from N 2.379 %NC 0.53 0 + 116.714 169.484 145.313 -11.166 + 91.428 79.681 135.426 -26.634 + 93.140 35.152 172.447 14.604 + 91.929 50.093 142.782 -92.943 + 90.184 41.579 114.742-125.297 + 90.638 50.213 163.655 29.698 + 90.688 45.135 136.549-173.998 + 92.172 76.037 136.957-129.315 + 90.277 -64.950 132.046-136.987 + 102.579 -66.144 180.000 180.000 + 98.051 -32.300 180.000 180.000 + 93.009 104.921 139.350-167.711 + 94.549 102.343 113.719 -77.066 + 122.573 -95.639 119.461 -77.130 + 94.760 79.836 180.000 180.000 + 130.657 -68.782 128.128 -92.196 + 118.615-107.763 110.708-115.424 + 119.436-143.066 110.874-111.386 + 118.833-102.480 126.189-133.434 + 120.215 0.000 117.661 -79.836 + # 180 total E -8.74159E+01 rmsd from N 2.380 %NC 0.53 0 + 116.630 169.091 145.520 -12.065 + 91.453 80.032 135.329 -26.915 + 93.212 35.173 172.479 14.052 + 91.924 50.094 142.838 -92.714 + 90.183 41.494 114.632-125.134 + 90.642 50.287 163.548 29.292 + 90.678 45.131 136.673-174.176 + 92.165 76.189 136.996-129.300 + 90.255 -64.905 131.987-137.395 + 102.468 -66.204 180.000 180.000 + 97.992 -32.169 180.000 180.000 + 93.023 105.010 139.317-167.629 + 94.482 102.221 113.971 -76.980 + 122.533 -95.863 119.603 -77.112 + 94.781 80.055 180.000 180.000 + 130.466 -68.842 128.187 -92.272 + 118.603-107.703 110.627-115.361 + 119.409-142.990 110.837-111.360 + 118.875-102.809 126.383-133.695 + 120.019 0.000 117.525 -79.893 + # 181 total E -8.84115E+01 rmsd from N 2.903 %NC 0.60 0 + 115.590 171.453 151.622 -13.642 + 91.649 76.214 136.420 -41.783 + 91.865 44.748 126.187 120.617 + 90.714 46.911 146.307 -96.240 + 89.642 44.711 124.037-107.721 + 90.748 51.754 157.457 -7.397 + 90.597 44.279 137.338-162.499 + 91.786 74.463 105.889-101.045 + 90.580 -64.488 127.615-141.965 + 105.232 -66.750 180.000 180.000 + 98.535 -29.354 180.000 180.000 + 93.324 105.784 112.488-102.301 + 93.747 92.852 114.729 -76.943 + 123.529 -84.956 119.026 -78.355 + 94.828 87.792 180.000 180.000 + 132.141 -64.374 137.721-123.330 + 119.282-109.898 108.792-114.451 + 120.781-136.701 110.871-109.818 + 118.083-118.693 121.067-126.611 + 121.892 0.000 121.550 -81.073 + # 182 total E -8.71950E+01 rmsd from N 2.380 %NC 0.53 0 + 116.332 175.940 113.942 -81.159 + 91.701 80.920 135.319 -27.262 + 93.022 35.877 172.616 13.868 + 91.953 49.829 142.472 -92.613 + 90.231 41.558 116.252-123.913 + 90.682 50.102 163.454 29.860 + 90.709 45.329 136.596-174.794 + 92.166 76.087 137.104-129.137 + 90.290 -64.985 131.852-137.321 + 102.515 -66.213 180.000 180.000 + 97.995 -32.065 180.000 180.000 + 93.035 105.060 139.390-167.751 + 94.488 102.055 113.970 -77.052 + 122.496 -96.019 119.510 -77.175 + 94.763 80.248 180.000 180.000 + 130.495 -68.576 128.365 -92.458 + 118.613-107.765 110.201-114.771 + 119.360-143.116 110.908-111.547 + 118.754-102.983 126.850-134.439 + 120.148 0.000 117.589 -79.916 + # 183 total E -8.74180E+01 rmsd from N 2.380 %NC 0.53 0 + 116.849 169.719 145.081 -11.056 + 91.426 79.592 135.343 -26.440 + 93.158 35.224 172.487 14.362 + 91.930 50.022 142.705 -92.798 + 90.189 41.529 114.661-125.184 + 90.650 50.201 163.553 29.134 + 90.687 45.161 136.693-174.192 + 92.163 76.100 137.036-129.310 + 90.274 -64.885 131.943-137.234 + 102.537 -66.239 180.000 180.000 + 97.995 -32.102 180.000 180.000 + 93.032 105.035 139.363-167.737 + 94.513 102.177 113.945 -77.060 + 122.490 -95.909 119.631 -77.086 + 94.783 80.171 180.000 180.000 + 130.413 -68.858 128.239 -92.408 + 118.599-107.644 110.641-115.349 + 119.370-142.975 110.821-111.400 + 118.853-102.622 126.388-133.735 + 120.111 0.000 117.531 -79.915 + # 184 total E -8.74154E+01 rmsd from N 2.382 %NC 0.53 0 + 116.746 169.818 144.972 -10.941 + 91.416 79.573 135.417 -26.483 + 93.125 35.254 172.479 14.338 + 91.885 50.156 142.598 -92.619 + 90.192 41.444 114.864-125.344 + 90.666 50.283 164.114 29.582 + 90.687 44.964 136.416-174.430 + 92.165 75.906 137.034-129.521 + 90.294 -64.987 131.948-137.175 + 102.598 -66.230 180.000 180.000 + 97.986 -32.070 180.000 180.000 + 93.030 105.126 139.262-167.564 + 94.519 102.195 113.981 -77.148 + 122.476 -95.954 119.849 -76.990 + 94.814 80.153 180.000 180.000 + 130.382 -68.839 128.019 -92.477 + 118.556-107.618 110.630-115.449 + 119.446-142.978 110.778-111.396 + 118.895-102.184 126.190-133.369 + 119.991 0.000 117.626 -80.049 + # 185 total E -8.71991E+01 rmsd from N 3.101 %NC 0.60 0 + 115.708 170.892 150.923 -12.963 + 91.674 76.076 133.878 -41.084 + 92.684 39.299 129.476 121.552 + 91.884 50.465 143.594 -91.467 + 90.057 39.633 123.438-112.824 + 91.215 54.027 146.568 -34.696 + 90.740 41.241 138.363 178.326 + 91.672 68.882 102.581 -93.608 + 92.032 -66.601 132.853-128.293 + 118.532 -40.409 180.000 180.000 + 121.023 -62.769 180.000 180.000 + 93.780 65.710 104.670 -73.433 + 93.034 123.284 131.669 132.096 + 96.083 -65.325 120.197-136.060 + 94.539 86.766 180.000 180.000 + 128.302 -65.738 136.916-150.282 + 120.594-113.696 108.035-113.225 + 120.503-138.154 111.685-111.052 + 117.459-118.776 124.458-130.514 + 121.868 0.000 121.610 -80.994 + # 186 total E -8.69435E+01 rmsd from N 2.900 %NC 0.53 0 + 115.700 -48.276 148.187 -19.068 + 91.498 72.487 136.348 -46.611 + 91.989 43.924 124.007 123.020 + 90.899 48.208 144.045 -95.431 + 89.797 42.357 123.271-110.941 + 90.960 51.308 156.895 -16.033 + 90.646 42.726 136.258-174.472 + 91.680 72.361 105.394 -97.483 + 90.707 -62.451 129.403-138.480 + 108.831 -69.396 180.000 180.000 + 101.271 -26.430 180.000 180.000 + 92.946 99.294 136.423-162.181 + 92.700 99.262 114.319 -77.993 + 124.901 -88.260 126.419-139.668 + 94.834 84.294 180.000 180.000 + 129.149 -75.275 132.682-133.837 + 120.647-114.748 110.449-116.327 + 119.739-136.221 109.538-109.007 + 117.993-118.753 121.743-126.338 + 121.890 0.000 121.575 -81.056 + # 187 total E -8.70771E+01 rmsd from N 2.790 %NC 0.60 0 + 116.120 168.381 147.782 -13.128 + 91.553 79.374 127.133 -27.086 + 92.767 35.162 145.178 115.599 + 92.318 55.406 139.464 -86.602 + 90.429 38.326 119.298-129.797 + 90.840 57.249 120.012 -42.624 + 89.891 46.240 152.084-174.363 + 90.937 69.896 90.032 -73.284 + 90.388 -69.456 138.040-128.024 + 112.417 -75.282 180.000 180.000 + 102.086 -21.129 180.000 180.000 + 92.958 98.862 138.455-163.250 + 92.948 71.809 115.481 -76.298 + 94.257 -95.532 108.912 -85.384 + 93.893 144.022 180.000 180.000 + 137.321 -78.574 147.582 158.598 + 115.772-103.648 112.608-122.127 + 118.418-142.120 107.104-105.657 + 116.816-118.428 131.363-145.165 + 121.712 0.000 121.617 -80.697 + # 188 total E -8.71037E+01 rmsd from N 3.464 %NC 0.47 0 + 93.703 40.680 109.186 -81.411 + 91.963 92.652 138.799 -17.287 + 91.603 42.813 144.322 112.027 + 90.874 48.195 142.293 -90.876 + 89.609 44.535 120.454-132.948 + 89.479 61.045 140.163 -34.272 + 89.886 42.668 141.154 170.905 + 91.085 73.287 92.093 -77.585 + 91.311 -53.950 135.533-133.725 + 111.670 -67.287 180.000 180.000 + 102.015 -31.434 180.000 180.000 + 92.628 100.710 109.619 -89.163 + 93.266 102.737 112.337 -79.438 + 119.441 -74.181 130.250-154.295 + 95.342 83.095 180.000 180.000 + 127.324 -71.363 151.452 -28.896 + 119.813-109.969 107.487-108.103 + 119.892-137.645 108.848-108.310 + 117.634-118.820 123.725-131.755 + 121.868 0.000 121.626 -80.986 + # 189 total E -8.72246E+01 rmsd from N 3.119 %NC 0.53 0 + 93.717 38.342 108.448 -80.539 + 91.731 74.362 133.229 -38.159 + 92.836 37.722 131.386 120.794 + 92.079 51.433 141.954 -90.728 + 90.306 38.825 119.179-123.125 + 91.258 55.877 141.948 -37.465 + 90.650 41.313 140.605 178.348 + 91.517 69.121 94.094 -76.429 + 92.041 -65.413 134.756-126.068 + 119.338 -40.587 180.000 180.000 + 121.296 -63.516 180.000 180.000 + 93.751 64.937 104.451 -73.553 + 92.982 123.454 129.980 130.435 + 95.417 -64.134 119.370-134.782 + 94.451 86.922 180.000 180.000 + 129.264 -65.775 135.438-152.988 + 120.707-113.576 108.540-114.093 + 120.599-138.364 110.947-109.947 + 117.459-118.787 124.787-131.137 + 121.866 0.000 121.616 -80.987 + # 190 total E -8.77026E+01 rmsd from N 3.069 %NC 0.53 0 + 93.847 99.811 147.208 -12.411 + 91.410 72.479 136.961 -39.991 + 91.042 45.717 129.042 117.960 + 89.934 49.514 141.687 -88.945 + 89.656 42.620 119.497-128.715 + 90.523 50.993 137.122 -10.958 + 90.662 41.576 140.922-173.543 + 92.167 73.690 134.654-133.674 + 92.091 -58.599 136.310-123.773 + 118.687 -44.677 180.000 180.000 + 123.291 -63.471 180.000 180.000 + 93.482 63.976 96.296 -86.320 + 94.414 130.379 115.178 -77.544 + 123.353 -73.429 137.928-147.434 + 94.116 74.850 180.000 180.000 + 121.479 -54.502 145.439-117.644 + 117.816-105.850 111.138-118.202 + 120.660-138.451 111.587-110.164 + 117.527-118.719 124.568-132.839 + 121.858 0.000 121.597 -80.982 + # 191 total E -8.89274E+01 rmsd from N 2.805 %NC 0.47 0 + 93.710 37.185 108.298 -80.424 + 91.621 73.122 137.888 -41.608 + 91.889 43.726 124.505 122.476 + 90.805 47.676 144.117 -95.493 + 89.711 43.435 124.286-108.690 + 90.837 50.378 156.582 -12.494 + 90.700 44.209 136.285-173.309 + 91.750 74.102 106.680 -98.340 + 90.518 -63.958 127.045-143.479 + 106.205 -69.168 180.000 180.000 + 99.992 -27.087 180.000 180.000 + 93.179 103.189 135.559-161.082 + 93.882 91.260 114.642 -76.663 + 126.982 -85.800 122.171 -77.615 + 95.450 90.034 180.000 180.000 + 130.532 -76.050 140.011-133.239 + 120.741-116.507 109.233-114.602 + 120.210-136.465 109.588-108.719 + 117.966-118.753 122.008-126.645 + 121.890 0.000 121.575 -81.056 + # 192 total E -8.76478E+01 rmsd from N 2.063 %NC 0.60 0 + 93.974 126.605 143.494 -1.791 + 91.342 90.379 131.304 -17.065 + 90.889 45.533 121.614 98.013 + 89.917 48.800 144.823 -91.745 + 89.811 45.693 122.104-134.440 + 90.191 50.070 137.290 29.907 + 90.285 43.431 142.830-157.906 + 91.964 72.315 133.964-134.587 + 91.117 -62.047 135.754-129.075 + 111.009 -78.515 180.000 180.000 + 118.307 -64.482 180.000 180.000 + 92.579 69.125 138.317-168.227 + 92.547 91.596 113.251 -76.317 + 117.929 -81.347 116.947 -83.229 + 95.651 83.590 180.000 180.000 + 133.216 -60.405 161.631 -43.345 + 123.603-145.742 102.720-102.219 + 119.894-111.867 114.323-115.480 + 116.929-118.528 130.255-139.058 + 121.770 0.000 121.597 -80.810 + # 193 total E -8.88959E+01 rmsd from N 2.744 %NC 0.60 0 + 115.634 171.622 151.551 -13.260 + 91.625 75.863 136.991 -43.121 + 91.998 44.112 124.516 121.533 + 90.746 47.249 146.798 -96.881 + 89.865 44.614 123.435-109.807 + 91.157 48.762 155.752 -6.507 + 90.785 45.038 136.474-152.828 + 91.807 73.595 107.858 -97.791 + 90.386 -68.015 127.330-140.622 + 107.148 -70.763 180.000 180.000 + 99.699 -23.782 180.000 180.000 + 93.513 103.512 135.404-159.107 + 93.536 87.893 116.645 -75.918 + 124.983 -90.709 120.488 -78.059 + 95.293 91.335 180.000 180.000 + 133.194 -73.809 140.706-127.519 + 120.136-112.317 110.185-116.129 + 120.478-136.083 110.362-109.309 + 118.233-118.658 120.152-124.336 + 121.891 0.000 121.540 -81.078 + # 194 total E -8.70901E+01 rmsd from N 2.442 %NC 0.53 0 + 114.917 159.735 146.519 -23.638 + 91.604 87.857 138.187 -12.267 + 90.305 47.874 127.897 113.939 + 89.423 43.417 149.355 -93.773 + 89.736 48.516 123.317-131.395 + 89.865 49.406 156.727 32.905 + 90.376 42.721 137.159-139.134 + 92.399 72.843 131.308-135.545 + 91.213 -65.766 137.897-117.725 + 108.115 -56.837 180.000 180.000 + 115.227 -51.379 180.000 180.000 + 93.202 83.858 138.873-166.203 + 92.661 111.362 112.555 -76.796 + 93.789 -72.597 134.814-161.254 + 96.984 83.457 180.000 180.000 + 132.098 -89.082 138.335 -37.148 + 120.658-110.343 119.616-123.636 + 119.640-117.121 111.583-111.786 + 118.217-118.628 117.946-121.988 + 121.890 0.000 121.518 -81.089 + # 195 total E -8.76097E+01 rmsd from N 2.776 %NC 0.60 0 + 93.856 102.919 146.924 -11.064 + 91.383 71.596 137.678 -41.313 + 91.381 45.249 123.303 120.329 + 90.241 47.070 145.374 -93.524 + 89.926 44.542 117.948-124.853 + 91.051 47.292 152.683 2.771 + 91.114 42.361 135.951-152.975 + 92.528 72.963 136.283-133.626 + 91.778 -67.550 135.083-114.246 + 114.116 -49.358 180.000 180.000 + 121.147 -57.093 180.000 180.000 + 93.811 69.011 132.406-155.134 + 92.589 117.042 120.909 127.943 + 113.126 -72.253 124.153-134.825 + 94.267 75.233 180.000 180.000 + 125.499 -74.239 144.635-122.998 + 120.566-112.756 109.661-114.953 + 119.456-135.580 116.749-117.837 + 118.454-118.573 118.781-120.979 + 121.877 0.000 121.509 -81.068 + # 196 total E -8.75662E+01 rmsd from N 2.326 %NC 0.53 0 + 93.875 124.139 148.190 -7.334 + 91.438 85.310 134.348 -31.609 + 91.266 45.115 96.204 -82.753 + 89.583 45.966 147.534 -94.619 + 89.561 44.601 118.469-127.408 + 90.472 49.206 165.150 103.161 + 90.911 43.009 137.220 -53.242 + 92.806 72.732 134.853-134.543 + 90.739 -69.568 129.937-139.068 + 101.781 -63.413 180.000 180.000 + 96.800 -32.355 180.000 180.000 + 93.302 106.962 140.613-168.187 + 94.789 102.878 114.939 -76.887 + 124.371 -97.618 120.280 -76.133 + 95.088 80.032 180.000 180.000 + 129.008 -68.987 127.751 -91.494 + 118.183-111.032 109.783-114.420 + 119.845-137.678 110.124-110.273 + 117.579-118.292 124.059-130.492 + 121.839 0.000 121.537 -80.985 + # 197 total E -8.98133E+01 rmsd from N 2.309 %NC 0.47 0 + 93.712 62.130 109.735 -80.371 + 91.590 80.169 129.217 -29.705 + 91.902 43.827 94.253 -83.063 + 91.068 43.883 147.797 -99.955 + 89.994 42.943 119.787-112.659 + 90.935 52.624 164.437 10.540 + 90.450 45.967 131.788-166.173 + 91.614 74.451 107.904-103.013 + 90.419 -65.150 129.894-137.796 + 103.313 -66.289 180.000 180.000 + 98.751 -31.896 180.000 180.000 + 92.860 104.251 139.912-168.550 + 94.410 102.663 113.480 -77.140 + 122.639 -95.133 120.023 -77.531 + 94.750 80.948 180.000 180.000 + 130.852 -69.225 129.167 -95.059 + 118.928-107.699 109.974-114.352 + 118.483-139.143 110.439-111.419 + 117.241-118.171 126.978-136.228 + 121.772 0.000 121.483 -80.878 + # 198 total E -8.72498E+01 rmsd from N 2.217 %NC 0.60 0 + 93.871 102.200 145.994 -10.879 + 91.380 71.816 139.020 -40.722 + 91.227 47.046 134.638 111.541 + 90.592 46.443 145.759 -95.008 + 89.987 42.528 119.623-118.778 + 90.785 60.036 158.101 -97.586 + 90.203 40.486 148.756-158.581 + 91.612 67.814 103.400-105.915 + 91.230 -67.674 130.806-128.585 + 107.111 -61.759 180.000 180.000 + 99.316 -31.875 180.000 180.000 + 92.572 104.558 101.985 -85.989 + 94.041 120.517 113.241 -77.453 + 108.880 -79.768 117.563 -79.886 + 94.966 71.687 180.000 180.000 + 130.785 -82.271 116.005-102.898 + 118.980-104.864 120.347-127.687 + 116.611-138.196 107.844-108.370 + 117.550-118.749 125.407-135.152 + 121.832 0.000 121.638 -80.909 + # 199 total E -8.69920E+01 rmsd from N 2.414 %NC 0.60 0 + 116.544 169.862 144.933 -10.839 + 91.431 79.244 135.573 -26.780 + 93.231 34.513 172.335 14.011 + 92.059 50.670 142.795 -92.874 + 90.253 40.933 114.852-125.459 + 90.704 50.621 164.478 30.347 + 90.662 44.064 137.343-173.047 + 92.156 74.808 137.128-130.524 + 90.407 -64.141 134.022-133.756 + 104.041 -66.926 180.000 180.000 + 98.842 -32.447 180.000 180.000 + 92.860 102.579 139.367-167.708 + 93.412 107.022 113.554 -78.161 + 121.743 -98.066 122.331-135.371 + 94.447 76.625 180.000 180.000 + 128.949 -67.656 124.902 -93.738 + 118.451-106.988 111.123-115.903 + 119.369-142.641 110.636-111.255 + 119.139-102.156 124.383-131.014 + 120.007 0.000 117.587 -80.067 + # 200 total E -8.69946E+01 rmsd from N 2.415 %NC 0.60 0 + 116.881 169.901 145.064 -10.778 + 91.425 79.225 135.566 -26.823 + 93.236 34.539 172.357 14.070 + 92.036 50.691 142.830 -92.888 + 90.264 40.871 114.783-125.608 + 90.712 50.676 164.688 30.684 + 90.676 43.960 137.411-173.129 + 92.149 74.910 137.077-130.659 + 90.385 -64.174 133.565-134.232 + 103.970 -66.787 180.000 180.000 + 98.703 -32.296 180.000 180.000 + 92.894 102.684 139.393-167.676 + 93.437 107.090 113.652 -78.033 + 121.548 -98.035 121.814-135.813 + 94.479 76.607 180.000 180.000 + 129.071 -67.489 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1.905 1.907 1.925 1.930 1.956 1.964 1.966 1.980 1.993 + 2.007 2.016 2.025 2.030 2.036 2.038 2.040 2.046 2.052 2.057 + 2.068 2.073 2.077 2.079 2.079 2.082 2.096 2.115 2.120 2.129 + 2.129 2.142 2.145 2.146 2.146 2.152 2.176 2.192 2.209 2.210 + 2.211 2.218 2.224 2.231 2.233 2.233 2.234 2.234 2.238 2.246 + 2.252 2.261 2.262 2.268 2.269 2.270 2.277 2.277 2.278 2.288 + 2.297 2.303 2.308 2.309 2.317 2.318 2.319 2.319 2.319 2.336 + 2.336 2.337 2.347 2.347 2.349 2.349 2.349 2.351 2.352 2.363 + 2.368 2.368 2.372 2.372 2.373 2.377 2.378 2.378 2.379 2.380 + 2.380 2.381 2.381 2.382 2.384 2.385 2.385 2.388 2.389 2.392 + 2.393 2.393 2.399 2.400 2.400 2.404 2.408 2.412 2.414 2.414 + 0.600 0.667 0.533 0.533 0.667 0.600 0.667 0.733 0.733 0.733 + 0.733 0.733 0.733 0.733 0.533 0.600 0.667 0.600 0.733 0.733 + 0.733 0.733 0.733 0.800 0.600 0.600 0.667 0.333 0.733 0.533 + 0.533 0.533 0.733 0.733 0.667 0.800 0.733 0.600 0.733 0.600 + 0.600 0.733 0.600 0.733 0.533 0.533 0.733 0.600 0.600 0.667 + 0.600 0.600 0.600 0.600 0.600 0.600 0.600 0.600 0.400 0.667 + 0.667 0.600 0.667 0.533 0.733 0.533 0.467 0.600 0.533 0.533 + 0.600 0.600 0.800 0.600 0.600 0.667 0.667 0.667 0.533 0.667 + 0.667 0.667 0.600 0.400 0.733 0.600 0.600 0.467 0.533 0.667 + 0.667 0.533 0.667 0.667 0.533 0.667 0.600 0.533 0.533 0.733 + 0.667 0.667 0.600 0.467 0.667 0.533 0.600 0.600 0.533 0.600 + 0.733 0.667 0.467 0.667 0.667 0.467 0.600 0.600 0.600 0.667 + 0.600 0.667 0.600 0.667 0.600 0.600 0.667 0.667 0.600 0.600 + 0.600 0.667 0.600 0.600 0.600 0.533 0.600 0.667 0.600 0.600 + 0.667 0.667 0.467 0.600 0.667 0.733 0.667 0.667 0.667 0.467 + 0.533 0.533 0.667 0.600 0.467 0.600 0.600 0.600 0.600 0.467 + 0.533 0.600 0.533 0.533 0.533 0.533 0.533 0.533 0.600 0.667 + 0.533 0.600 0.600 0.600 0.733 0.600 0.667 0.467 0.533 0.533 + 0.600 0.533 0.533 0.533 0.667 0.667 0.533 0.600 0.600 0.600 + 0.667 0.600 0.600 0.733 0.533 0.600 0.533 0.600 0.600 0.600 + 1 0 200 150.0 152 155 -8.93572E+01 -7.07400E+01 200604 200 200 0 + 1 0 541 144.6 152 105 -8.93603E+01 -7.72274E+01 312970 189 200 0 + 1 0 941 139.4 152 37 -8.93603E+01 -7.88354E+01 432850 181 200 0 + 1 0 1341 134.4 152 29 -8.93603E+01 -7.96190E+01 551112 178 200 0 + 1 0 1741 129.6 152 140 -8.93603E+01 -8.06224E+01 671353 165 200 0 + 1 0 2141 124.9 152 7 -8.93603E+01 -8.16848E+01 798726 155 200 0 + 1 0 2541 120.4 197 112 -8.98122E+01 -8.22193E+01 915452 147 200 0 + 1 0 2941 116.1 197 79 -8.98131E+01 -8.25113E+01 1035399 141 200 0 + 1 0 3341 111.9 197 196 -8.98132E+01 -8.28764E+01 1148201 140 200 0 + 1 0 3741 107.9 148 144 -9.08493E+01 -8.31737E+01 1259411 132 200 0 + 1 0 4141 104.0 148 194 -9.08493E+01 -8.34927E+01 1375423 123 200 0 + 1 0 4541 100.3 148 39 -9.08499E+01 -8.37993E+01 1494226 115 200 0 + 1 0 4941 96.7 148 48 -9.08499E+01 -8.40752E+01 1610670 108 200 0 + 1 0 5341 93.2 148 85 -9.08499E+01 -8.42740E+01 1727410 100 200 0 + 1 0 5741 89.8 148 133 -9.08499E+01 -8.46021E+01 1846657 89 200 0 + 1 0 6141 86.6 148 92 -9.08499E+01 -8.48404E+01 1962101 83 200 0 + 1 0 6541 83.5 148 44 -9.08499E+01 -8.49634E+01 2081527 75 200 0 + 1 0 6941 80.5 148 61 -9.08499E+01 -8.51641E+01 2208378 75 200 0 + 1 0 7341 77.6 148 129 -9.08499E+01 -8.52745E+01 2328482 66 200 0 + 1 0 7741 74.8 148 162 -9.08499E+01 -8.54440E+01 2451156 54 200 0 + 1 0 8141 72.1 148 69 -9.08499E+01 -8.55068E+01 2569083 45 200 0 + 1 0 8541 69.5 148 2 -9.08499E+01 -8.56120E+01 2687646 38 200 0 + 1 0 8941 67.0 148 130 -9.08499E+01 -8.57794E+01 2806502 32 200 0 + 1 0 9341 64.6 148 160 -9.08499E+01 -8.60503E+01 2937600 37 200 0 + 1 0 9741 62.3 148 18 -9.08499E+01 -8.62511E+01 3066571 34 200 0 + 1 0 10141 60.0 148 57 -9.08499E+01 -8.63822E+01 3193035 28 200 0 + 1 0 10541 60.0 148 99 -9.08499E+01 -8.64279E+01 3319354 18 200 0 + 1 0 10941 60.0 148 95 -9.08499E+01 -8.64603E+01 3444273 7 200 0 + 1 0 11341 60.0 148 186 -9.08499E+01 -8.65232E+01 3572514 13 200 0 + 1 0 11741 60.0 148 97 -9.08499E+01 -8.65598E+01 3698763 14 200 0 + 1 0 12141 60.0 148 138 -9.08499E+01 -8.66068E+01 3822376 7 200 0 + 1 0 12541 60.0 148 80 -9.08499E+01 -8.66506E+01 3947691 11 200 0 + 1 0 12941 60.0 148 92 -9.08499E+01 -8.66806E+01 4071751 10 200 0 + 1 0 13341 60.0 148 171 -9.08499E+01 -8.67281E+01 4189921 8 200 0 + 1 0 13741 60.0 148 135 -9.08499E+01 -8.67685E+01 4312769 11 200 0 + 1 0 14141 60.0 148 141 -9.08499E+01 -8.68069E+01 4436661 16 200 0 + 1 0 14541 60.0 148 28 -9.08499E+01 -8.68147E+01 4557849 11 200 0 + 1 0 14941 60.0 148 144 -9.08499E+01 -8.68213E+01 4679660 7 200 0 + 1 0 15341 60.0 148 196 -9.08499E+01 -8.68346E+01 4795736 6 200 0 + 1 0 15741 60.0 148 19 -9.08499E+01 -8.68374E+01 4918196 4 200 0 + 1 0 16141 60.0 148 19 -9.08499E+01 -8.68374E+01 5035198 5 200 0 + 1 0 16541 60.0 148 136 -9.08499E+01 -8.68446E+01 5153657 4 200 0 + 1 1 16941 60.0 148 87 -9.08499E+01 -8.68456E+01 5273823 1 200 0 + 1 1 17341 60.0 148 87 -9.08499E+01 -8.68456E+01 5390720 200 200 0 + 1 1 17741 60.0 148 155 -9.08499E+01 -8.68591E+01 5511033 180 200 0 + 1 1 18141 60.0 148 76 -9.08499E+01 -8.68611E+01 5632645 162 200 0 + 1 1 18541 60.0 148 146 -9.08499E+01 -8.68661E+01 5755151 142 200 0 + 1 1 18941 60.0 148 7 -9.08499E+01 -8.68698E+01 5876236 122 200 0 + 1 1 19341 60.0 148 159 -9.08499E+01 -8.68726E+01 5995716 104 200 0 + 1 1 19741 60.0 148 30 -9.08499E+01 -8.68796E+01 6120077 84 200 0 + 1 1 20141 60.0 148 108 -9.08499E+01 -8.68980E+01 6240491 64 200 0 + 1 1 20541 60.0 148 25 -9.08499E+01 -8.69240E+01 6362329 48 200 0 + 1 1 20941 60.0 148 127 -9.08499E+01 -8.69302E+01 6488625 33 200 0 + 1 1 21341 60.0 148 127 -9.08499E+01 -8.69302E+01 6606646 15 200 0 + 1 2 21741 60.0 148 158 -9.08499E+01 -8.69332E+01 6716494 2 200 0 + 1 2 22200 60.0 148 158 -9.08499E+01 -8.69332E+01 6852472 2 200 0 +jlee = 1: 0.0 0.0 0.0 0.0 E = -90.84991 22200 6852472 + diff --git a/examples/unres/CSA/GAB/CSA/local/1l2y_csa.CSA.native.int b/examples/unres/CSA/GAB/CSA/local/1l2y_csa.CSA.native.int new file mode 100644 index 0000000..dcee669 --- /dev/null +++ b/examples/unres/CSA/GAB/CSA/local/1l2y_csa.CSA.native.int @@ -0,0 +1,13 @@ + 0 1480.518 0 + 92.2388 92.2388 90.3570 89.0899 88.6572 93.0319 94.8258 87.9664 + 89.9076 100.1805 109.0732 89.5374 91.8151 101.7839 92.2014 133.2247 + 121.5017 117.9501 114.2013 114.2013 + -180.0000 45.8488 55.1936 49.3961 48.2980 46.8430 59.6233 56.6787 + -87.3042 -127.4990 4.2610 66.1079 70.1396 -108.9488 103.8242 -122.5265 + -90.2854 -108.3282 180.0000 + 90.5307 101.5748 163.1951 148.2278 164.5930 123.6495 156.2016 106.9744 + 153.4470 180.0000 180.0000 101.7709 144.5146 161.0471 180.0000 139.8455 + 115.6096 118.5749 118.9588 128.9250 + -178.4521 -78.5297 -7.4402 -110.3334 -141.6382 -21.9127 -108.7501 -55.9598 + -128.6458 180.0000 180.0000 -115.5797 -129.2177 -100.1770 180.0000 -132.7159 + -118.0237 -122.4174 -126.2067 -37.3415 diff --git a/examples/unres/CSA/GAB/CSA/local/1l2y_csa.CSA.rbank b/examples/unres/CSA/GAB/CSA/local/1l2y_csa.CSA.rbank new file mode 100644 index 0000000..cc66a04 --- /dev/null +++ b/examples/unres/CSA/GAB/CSA/local/1l2y_csa.CSA.rbank @@ -0,0 +1,4201 @@ + jlee = 1 nbank = 200 nstep = 200 200604 0 300.09678 + # 1 total E -7.69741E+01 rmsd from N 1.311 %NC 0.60 + 115.799 163.009 145.928 -16.397 + 91.513 87.285 136.979 -14.659 + 92.322 41.066 176.452 179.678 + 90.245 49.221 143.188 -99.481 + 89.822 43.956 116.690-132.662 + 90.799 52.523 125.175 29.688 + 90.463 35.922 140.325 -58.537 + 92.500 62.885 130.019-135.958 + 92.710 -56.307 135.155-109.776 + 126.151-156.506 180.000 180.000 + 123.913 -35.687 180.000 180.000 + 92.778 63.527 98.101 -88.976 + 93.591 80.102 133.938-112.527 + 130.399-104.329 117.205 -82.640 + 96.201 69.225 180.000 180.000 + 130.152-102.971 123.110 -48.471 + 119.141-110.494 116.744-121.160 + 116.915-113.499 142.587-156.935 + 118.471-121.288 115.490-117.637 + 121.932 0.000 122.178 -81.080 + # 2 total E -7.61071E+01 rmsd from N 1.316 %NC 0.67 + 113.030 165.471 147.291-104.388 + 91.118 76.804 131.218 -0.394 + 91.590 44.626 176.421 178.557 + 89.654 49.337 141.161 -98.406 + 89.481 44.811 117.360-134.945 + 90.371 53.584 124.398 28.477 + 90.215 36.421 141.538 -56.247 + 92.310 62.972 129.494-135.910 + 92.499 -55.441 136.095-110.259 + 124.443-160.786 180.000 180.000 + 125.268 -36.744 180.000 180.000 + 92.576 62.164 97.532 -88.156 + 93.316 81.859 113.372 -77.535 + 128.954-107.210 115.925 -83.386 + 95.934 70.344 180.000 180.000 + 130.024-100.251 112.110 -97.550 + 119.616-112.347 116.298-121.595 + 116.975-113.095 142.818-157.541 + 118.650-121.330 113.152-114.129 + 122.040 0.000 122.259 -81.057 + # 3 total E -7.79774E+01 rmsd from N 1.328 %NC 0.53 + 115.684 162.576 146.177 -17.418 + 91.614 87.356 138.136 -12.773 + 92.860 37.211 176.462-169.564 + 91.450 52.098 141.608 -97.981 + 90.665 37.909 116.666-132.710 + 91.753 52.165 131.147 50.927 + 90.900 36.191 130.881-175.666 + 92.429 63.106 134.479-133.092 + 92.202 -41.459 139.175-121.569 + 122.289-153.457 180.000 180.000 + 125.619 -36.079 180.000 180.000 + 92.802 58.311 97.553 -90.474 + 93.190 101.888 113.191 -76.967 + 138.255-106.190 120.537 -93.093 + 96.607 53.482 180.000 180.000 + 127.926-100.860 117.099 -42.589 + 115.512-108.568 122.857-131.235 + 115.970-110.032 150.297-170.508 + 118.284-122.169 117.532-123.969 + 122.268 0.000 122.421 -81.194 + # 4 total E -7.46213E+01 rmsd from N 1.336 %NC 0.53 + 115.433 162.700 146.326 -19.529 + 91.607 88.197 137.787 -15.965 + 92.699 39.663 176.449-178.643 + 91.081 49.978 141.019 -97.881 + 90.421 37.849 116.066-131.518 + 91.454 54.393 125.637 30.261 + 90.742 34.342 141.856-178.646 + 92.776 64.466 131.497-132.850 + 92.605 -50.805 135.500-113.983 + 115.587-156.381 180.000 180.000 + 142.619 -41.906 180.000 180.000 + 92.120 53.763 130.474-156.561 + 91.938 52.168 113.100 -76.133 + 115.816 -73.761 107.100 -77.664 + 129.325 64.611 180.000 180.000 + 127.840-104.156 128.042-127.874 + 119.370-109.403 116.805-122.435 + 118.068-135.201 112.072-112.477 + 117.319-129.880 116.171-119.107 + 120.633 0.000 147.203-147.155 + # 5 total E -7.79163E+01 rmsd from N 1.347 %NC 0.67 + 116.082 164.138 145.583 -15.436 + 91.453 84.962 137.007 -18.189 + 92.162 40.658 173.353 16.629 + 90.146 47.666 144.895 -94.611 + 89.621 44.379 115.187-129.824 + 90.076 55.285 132.846 33.044 + 90.417 34.761 148.043-158.217 + 92.551 60.733 127.283-133.759 + 92.750 -51.792 134.992-112.182 + 117.812-156.597 180.000 180.000 + 138.182 -35.530 180.000 180.000 + 92.061 55.549 104.294-109.058 + 92.378 77.773 112.688 -76.979 + 134.874 -82.273 119.882 -90.379 + 98.101 55.669 180.000 180.000 + 130.702-122.581 122.637 -37.173 + 117.342-110.501 118.036-123.715 + 116.760-129.148 144.342-161.048 + 117.943-127.880 112.611-113.733 + 120.826 0.000 146.763-142.684 + # 6 total E -7.80306E+01 rmsd from N 1.359 %NC 0.60 + 116.084 165.074 146.106 -14.498 + 91.546 86.096 136.291 -20.358 + 92.624 43.749 176.444 172.522 + 90.822 45.705 140.524 -96.891 + 90.149 41.098 114.752-125.028 + 90.968 55.326 142.642 -19.883 + 90.333 40.372 141.514 173.414 + 91.442 67.921 103.292 -95.577 + 92.091 -52.706 133.424-120.337 + 112.903-157.131 180.000 180.000 + 140.674 -37.495 180.000 180.000 + 91.771 54.103 131.634-158.016 + 91.915 76.690 113.353 -75.535 + 127.094 -84.957 117.063 -83.226 + 97.299 71.394 180.000 180.000 + 135.649-119.932 110.178 -87.327 + 121.054-107.169 121.940-129.151 + 118.103-132.722 106.954-105.904 + 117.471-127.937 115.309-118.760 + 120.854 0.000 146.784-143.437 + # 7 total E -8.06791E+01 rmsd from N 1.361 %NC 0.67 + 112.670 156.800 149.013 -38.935 + 91.893 85.105 132.827 -14.998 + 91.227 43.520 103.621 -87.317 + 90.355 46.605 151.869 -98.106 + 90.270 41.850 121.323-126.915 + 91.468 52.111 125.153 31.241 + 90.633 35.717 132.566-151.103 + 92.519 63.382 132.119-135.032 + 92.577 -56.060 135.754-109.915 + 125.884-160.533 180.000 180.000 + 125.166 -34.874 180.000 180.000 + 92.666 62.056 98.432 -89.386 + 93.314 78.583 134.064-113.226 + 130.453-108.052 114.586 -82.719 + 95.955 73.069 180.000 180.000 + 129.507 -98.581 114.910 -99.702 + 119.904-113.405 115.860-120.781 + 117.109-112.466 141.900-156.107 + 118.806-117.629 110.936-111.250 + 121.739 0.000 121.325 -80.945 + # 8 total E -7.89294E+01 rmsd from N 1.362 %NC 0.73 + 115.883 164.086 145.749 -15.682 + 91.488 86.328 135.336 -14.504 + 92.671 37.943 176.449-178.426 + 91.201 52.748 142.074 -98.107 + 90.451 38.658 117.364-132.825 + 91.487 52.977 122.973 28.097 + 90.589 35.666 139.454-163.092 + 92.380 64.623 133.195-133.789 + 92.292 -52.457 136.536-110.647 + 124.696-160.268 180.000 180.000 + 124.666 -35.885 180.000 180.000 + 92.658 62.736 97.771 -87.925 + 93.307 78.032 112.825 -77.055 + 130.446-105.770 114.773 -82.469 + 95.938 71.635 180.000 180.000 + 130.045-100.939 114.829 -99.806 + 120.109-112.441 116.211-121.095 + 117.079-112.729 142.199-156.109 + 118.616-119.581 112.805-114.019 + 120.894 0.000 147.522-116.980 + # 9 total E -7.89298E+01 rmsd from N 1.362 %NC 0.73 + 116.206 164.467 145.472 -14.215 + 91.466 85.905 135.121 -13.936 + 92.668 37.814 176.449-178.273 + 91.195 52.872 142.395 -98.504 + 90.413 38.874 117.374-132.879 + 91.449 53.003 123.164 28.159 + 90.598 35.649 139.020-162.363 + 92.388 64.543 133.007-134.195 + 92.299 -52.878 136.423-110.771 + 124.976-160.198 180.000 180.000 + 124.746 -35.639 180.000 180.000 + 92.628 62.650 97.630 -87.872 + 93.315 77.910 113.054 -77.017 + 130.112-106.112 114.564 -82.579 + 95.931 72.026 180.000 180.000 + 129.839-100.825 114.798 -99.768 + 120.089-112.540 116.196-121.163 + 117.044-112.688 142.000-155.878 + 118.529-119.551 112.879-114.037 + 120.821 0.000 147.480-117.822 + # 10 total E -7.89284E+01 rmsd from N 1.364 %NC 0.73 + 115.859 163.875 145.950 -15.689 + 91.529 86.345 135.592 -14.489 + 92.647 37.771 176.448-173.827 + 91.220 52.752 142.215 -98.815 + 90.423 38.775 117.233-132.921 + 91.474 53.087 123.180 28.130 + 90.612 35.514 139.223-162.700 + 92.404 64.636 132.791-134.099 + 92.289 -52.696 136.471-110.582 + 124.817-160.434 180.000 180.000 + 124.680 -35.564 180.000 180.000 + 92.635 62.766 97.788 -88.088 + 93.300 77.882 112.812 -77.092 + 130.186-106.192 114.943 -82.331 + 95.972 72.006 180.000 180.000 + 129.790-100.753 114.774 -99.596 + 120.080-112.579 116.050-120.991 + 117.068-112.725 142.015-155.872 + 118.574-119.614 112.844-113.923 + 120.780 0.000 147.598-117.879 + # 11 total E -7.90939E+01 rmsd from N 1.366 %NC 0.73 + 116.044 163.742 145.849 -15.785 + 91.538 86.336 135.388 -14.178 + 92.680 37.828 176.447-177.830 + 91.218 52.827 142.390 -98.693 + 90.412 38.824 117.533-132.760 + 91.444 53.060 123.315 28.197 + 90.578 35.627 139.181-162.626 + 92.363 64.394 132.911-134.235 + 92.218 -53.030 136.549-110.691 + 124.963-160.517 180.000 180.000 + 124.809 -35.660 180.000 180.000 + 92.636 62.589 97.638 -87.919 + 93.296 77.925 113.032 -77.052 + 130.285-106.358 114.619 -82.563 + 95.914 72.152 180.000 180.000 + 129.745-100.599 115.026 -99.662 + 120.057-112.704 116.082-121.106 + 117.103-112.728 141.877-155.537 + 118.555-120.789 112.490-113.489 + 121.897 0.000 122.022 -80.753 + # 12 total E -7.85202E+01 rmsd from N 1.368 %NC 0.73 + 115.754 163.539 145.985 -17.655 + 91.556 86.750 135.597 -14.736 + 92.694 37.729 176.448-178.339 + 91.216 52.922 142.478 -98.485 + 90.427 38.766 117.488-132.984 + 91.458 53.169 123.169 28.025 + 90.588 35.510 139.113-162.611 + 92.393 64.638 132.883-134.145 + 92.285 -52.566 136.478-110.745 + 124.930-160.334 180.000 180.000 + 125.129 -35.890 180.000 180.000 + 92.713 62.141 98.155 -88.766 + 93.341 78.329 133.960-112.200 + 129.918-106.084 114.457 -82.398 + 95.940 71.812 180.000 180.000 + 129.864-100.917 114.948 -99.661 + 120.115-112.446 115.991-120.898 + 117.048-112.783 141.902-155.771 + 118.618-119.495 112.705-113.700 + 121.123 0.000 147.645-117.826 + # 13 total E -7.85207E+01 rmsd from N 1.369 %NC 0.73 + 115.606 163.585 146.027 -17.533 + 91.562 86.650 135.724 -14.388 + 92.699 37.755 176.449-178.201 + 91.238 52.907 142.436 -98.632 + 90.434 38.744 117.502-132.930 + 91.461 53.189 123.141 28.044 + 90.616 35.442 139.191-162.594 + 92.387 64.698 132.872-134.003 + 92.246 -52.621 136.540-110.459 + 124.945-160.178 180.000 180.000 + 125.101 -36.003 180.000 180.000 + 92.700 62.232 98.105 -88.743 + 93.332 78.239 133.767-112.271 + 129.979-106.027 114.456 -82.290 + 95.954 71.772 180.000 180.000 + 129.810-100.990 114.805 -99.682 + 120.135-112.458 116.036-120.976 + 117.061-112.800 141.744-155.466 + 118.556-119.603 112.706-113.768 + 120.832 0.000 147.474-117.695 + # 14 total E -7.68785E+01 rmsd from N 1.374 %NC 0.73 + 115.604 162.688 146.644 -18.401 + 91.578 85.243 143.128 -15.286 + 92.222 35.226 170.481 12.411 + 91.060 54.287 143.824 -93.387 + 90.343 39.017 118.257-134.061 + 90.912 51.963 126.078 29.907 + 90.710 35.028 138.177-171.606 + 92.439 65.406 135.218-133.806 + 91.814 -48.239 135.696-114.904 + 121.049-161.349 180.000 180.000 + 126.746 -36.423 180.000 180.000 + 92.501 60.202 97.387 -88.401 + 93.076 79.481 113.198 -76.950 + 129.592-102.947 112.595 -82.895 + 95.981 67.613 180.000 180.000 + 130.704-104.061 136.411 79.463 + 120.048-111.855 115.038-119.379 + 117.104-113.483 140.749-153.686 + 118.357-120.452 113.650-115.648 + 121.902 0.000 122.101 -81.105 + # 15 total E -8.19544E+01 rmsd from N 1.377 %NC 0.53 + 93.698 61.207 110.331 -80.998 + 91.494 88.265 128.999 -16.964 + 91.382 45.005 97.668 -91.557 + 90.106 47.011 151.613 -97.418 + 90.180 41.893 121.953-127.556 + 91.550 51.881 125.515 30.353 + 90.785 34.911 132.304-152.650 + 92.710 64.119 131.921-134.723 + 92.741 -55.571 135.253-109.427 + 126.727-156.740 180.000 180.000 + 121.656 -32.841 180.000 180.000 + 92.654 65.379 97.736 -87.737 + 93.526 77.239 112.507 -77.032 + 129.311-104.824 117.226 -82.120 + 96.174 69.565 180.000 180.000 + 130.283-100.340 125.064 -51.471 + 119.461-111.549 115.259-119.148 + 117.371-114.292 139.549-151.600 + 118.545-118.113 113.947-115.413 + 121.829 0.000 121.349 -81.116 + # 16 total E -7.12077E+01 rmsd from N 1.378 %NC 0.60 + 113.612 165.470 150.232-113.784 + 91.467 75.623 136.092 -22.896 + 90.545 46.463 136.650 -97.494 + 90.245 46.296 141.176-102.616 + 90.398 39.351 120.683-123.181 + 91.660 51.937 176.459 141.460 + 90.379 39.848 137.266-160.815 + 91.638 66.934 131.975-132.615 + 91.867 -39.026 136.262-117.641 + 118.687-152.047 180.000 180.000 + 122.980 -33.009 180.000 180.000 + 92.372 63.685 97.310 -90.583 + 93.374 96.243 113.219 -77.362 + 120.958-107.096 119.542 -85.465 + 96.018 55.186 180.000 180.000 + 130.950 -93.707 149.933 -29.957 + 118.590-112.419 115.286-120.083 + 117.136-113.165 144.287-159.868 + 118.598-117.939 113.502-115.003 + 120.972 0.000 147.296-111.235 + # 17 total E -7.95253E+01 rmsd from N 1.381 %NC 0.67 + 116.843 178.926 113.381 -79.711 + 91.697 84.588 142.163 -15.947 + 92.436 35.149 169.994 11.872 + 91.325 53.113 143.196 -91.990 + 90.501 38.616 117.921-131.453 + 91.249 52.254 122.183 27.801 + 90.807 34.889 141.596-172.604 + 92.578 65.629 134.814-133.466 + 92.286 -50.260 135.586-112.686 + 123.660-157.587 180.000 180.000 + 122.597 -35.093 180.000 180.000 + 92.629 65.281 97.959 -88.203 + 93.594 76.032 112.572 -76.963 + 128.287-101.176 116.838 -81.697 + 96.203 67.291 180.000 180.000 + 130.590-104.038 125.062 -47.912 + 119.516-110.262 115.360-118.885 + 117.183-113.162 137.417-147.751 + 118.339-119.585 114.780-116.620 + 120.936 0.000 147.925-118.037 + # 18 total E -7.70245E+01 rmsd from N 1.382 %NC 0.60 + 116.648 177.708 113.143 -79.718 + 91.711 84.965 141.062 -14.349 + 92.077 35.595 170.897 13.054 + 91.200 52.934 142.580 -92.578 + 90.480 38.548 119.167-133.051 + 91.157 51.558 125.979 22.197 + 90.682 35.371 140.915-173.351 + 92.366 64.703 135.490-133.782 + 91.866 -55.637 134.889-108.135 + 125.497-162.643 180.000 180.000 + 120.387 -34.728 180.000 180.000 + 92.506 64.649 131.348-154.911 + 93.578 61.053 112.230 -76.277 + 128.497 -94.915 143.787 -46.852 + 96.914 75.987 180.000 180.000 + 132.218-110.181 119.304-105.676 + 121.403-110.012 120.203-126.265 + 118.566-118.472 109.452-109.442 + 117.951-120.750 118.597-122.605 + 122.033 0.000 122.084 -80.936 + # 19 total E -7.96980E+01 rmsd from N 1.386 %NC 0.73 + 115.557 163.200 146.720 -17.207 + 91.557 84.403 141.840 -16.096 + 92.594 34.711 169.988 12.112 + 91.325 53.396 143.694 -92.831 + 90.481 38.676 117.484-131.372 + 91.177 52.363 121.918 27.818 + 90.782 34.983 141.585-171.421 + 92.537 65.796 134.819-133.693 + 92.282 -50.242 135.899-112.603 + 123.661-157.524 180.000 180.000 + 122.922 -35.463 180.000 180.000 + 92.606 65.059 97.820 -88.143 + 93.548 75.909 112.725 -77.120 + 128.602-101.230 116.536 -81.527 + 96.205 67.547 180.000 180.000 + 130.465-104.299 125.661 -47.424 + 119.578-110.502 115.465-118.906 + 117.154-113.217 137.492-147.917 + 118.349-119.919 114.739-116.525 + 120.893 0.000 147.547-117.923 + # 20 total E -7.89174E+01 rmsd from N 1.389 %NC 0.73 + 116.606 177.830 113.463 -79.797 + 91.696 84.513 141.277 -16.489 + 92.250 35.609 170.829 12.677 + 91.260 53.278 142.958 -91.946 + 90.435 38.745 118.262-131.884 + 91.045 52.835 121.104 26.904 + 90.590 35.544 142.329-171.420 + 92.411 65.436 134.588-133.814 + 92.156 -49.861 136.948-109.594 + 123.728-159.355 180.000 180.000 + 123.894 -36.455 180.000 180.000 + 92.602 63.625 97.915 -88.376 + 93.433 76.714 112.935 -77.124 + 128.726-103.232 114.828 -81.219 + 95.928 69.429 180.000 180.000 + 130.167-103.399 114.581 -98.909 + 120.149-111.596 115.321-119.775 + 117.259-114.534 138.875-150.092 + 118.420-120.164 113.734-114.728 + 120.830 0.000 147.680-116.500 + # 21 total E -7.92531E+01 rmsd from N 1.391 %NC 0.73 + 115.738 163.707 146.600 -16.737 + 91.544 84.218 141.198 -16.339 + 92.444 35.038 170.700 12.955 + 91.312 53.557 143.685 -92.728 + 90.414 38.786 117.584-131.824 + 91.016 52.845 120.912 26.939 + 90.614 35.443 142.412-169.794 + 92.445 65.541 134.634-134.479 + 92.162 -49.550 136.915-109.771 + 123.809-159.185 180.000 180.000 + 124.215 -36.780 180.000 180.000 + 92.616 63.415 97.765 -87.981 + 93.438 76.777 112.811 -77.071 + 128.869-103.129 114.767 -81.200 + 95.946 69.679 180.000 180.000 + 130.252-103.571 114.967 -99.122 + 120.153-111.524 115.518-120.088 + 117.210-114.662 139.522-151.323 + 118.447-120.342 113.670-114.668 + 122.008 0.000 122.050 -81.027 + # 22 total E -7.90881E+01 rmsd from N 1.394 %NC 0.73 + 115.790 163.674 146.483 -16.154 + 91.528 84.146 141.281 -16.485 + 92.435 35.015 170.521 12.622 + 91.273 53.629 143.687 -92.510 + 90.406 38.705 117.684-131.901 + 90.995 52.998 120.849 26.795 + 90.591 35.489 142.444-170.362 + 92.440 65.572 134.610-134.195 + 92.199 -49.465 137.134-109.094 + 123.805-159.246 180.000 180.000 + 124.266 -36.857 180.000 180.000 + 92.602 63.411 97.931 -88.468 + 93.493 76.760 112.889 -77.125 + 128.794-103.008 114.556 -81.448 + 95.957 69.356 180.000 180.000 + 130.190-103.643 114.503 -99.022 + 120.175-111.553 115.359-119.860 + 117.249-114.601 138.921-150.305 + 118.478-120.030 113.557-114.459 + 121.092 0.000 147.383-118.741 + # 23 total E -7.84856E+01 rmsd from N 1.408 %NC 0.73 + 116.662 178.092 113.442 -79.881 + 91.700 84.603 141.630 -16.938 + 92.182 35.899 170.940 12.315 + 91.136 53.585 143.241 -91.946 + 90.350 38.998 118.313-132.513 + 90.886 53.298 120.730 27.936 + 90.378 35.391 141.569-171.512 + 92.137 66.733 134.006-135.788 + 92.339 -48.939 138.969 -47.521 + 121.538-161.002 180.000 180.000 + 127.248 -38.005 180.000 180.000 + 92.608 61.708 97.828 -88.624 + 93.228 76.821 113.100 -76.992 + 129.802-102.352 114.458 -83.495 + 96.263 69.721 180.000 180.000 + 130.224-104.850 113.167-106.971 + 120.071-112.144 115.909-120.762 + 117.252-113.606 140.581-153.122 + 118.470-119.764 112.495-113.484 + 120.830 0.000 147.315-119.394 + # 24 total E -7.75096E+01 rmsd from N 1.422 %NC 0.80 + 115.742 163.467 146.530 -15.918 + 91.556 87.727 137.637 -14.408 + 92.420 38.403 176.447-177.125 + 91.029 53.031 141.052-102.780 + 90.489 38.597 119.364-133.594 + 91.231 58.607 122.106 24.543 + 89.652 38.156 139.497-171.591 + 91.347 67.002 63.426 -65.738 + 92.333 -54.025 140.926 -38.729 + 120.651-162.033 180.000 180.000 + 127.080 -36.449 180.000 180.000 + 92.595 61.077 97.790 -88.500 + 93.153 79.177 112.972 -77.016 + 131.041-106.717 114.600 -84.495 + 96.173 71.729 180.000 180.000 + 129.629-101.011 113.048-107.018 + 119.834-113.817 116.560-121.983 + 116.910-110.505 143.368-158.475 + 118.696-119.781 110.289-111.494 + 120.957 0.000 147.625-116.149 + # 25 total E -7.84306E+01 rmsd from N 1.423 %NC 0.60 + 112.565 156.158 148.430 -40.143 + 91.893 85.851 133.504 -13.125 + 90.961 44.166 102.788 -86.153 + 90.196 46.145 151.679 -97.525 + 90.144 42.557 121.780-128.813 + 91.052 52.092 132.272 34.486 + 90.334 36.300 130.704-155.550 + 92.031 60.950 131.785-136.840 + 92.436 -62.242 138.690 -45.067 + 125.627-165.667 180.000 180.000 + 123.820 -41.688 180.000 180.000 + 92.471 62.504 98.969 -92.512 + 93.863 62.438 133.238-115.037 + 128.203-101.303 145.427 -44.771 + 96.822 83.727 180.000 180.000 + 129.773 -99.400 127.083-111.254 + 121.085-114.564 115.647-120.087 + 117.188-112.191 139.611-152.468 + 118.981-117.885 110.130-109.695 + 121.648 0.000 121.094 -81.020 + # 26 total E -8.03822E+01 rmsd from N 1.448 %NC 0.60 + 118.177 175.839 141.622 -7.160 + 91.358 76.327 138.344 -88.508 + 90.449 72.044 158.088 37.171 + 87.573 51.346 137.415 -89.696 + 88.610 45.243 91.315 -71.399 + 89.769 49.890 161.362 35.359 + 90.445 43.675 146.929 163.809 + 91.838 67.977 133.414-134.081 + 91.467 -69.512 135.895-115.484 + 112.740 -52.711 180.000 180.000 + 116.386 -63.854 180.000 180.000 + 92.758 68.443 102.496-102.583 + 94.416 136.229 113.723 -77.084 + 94.371 -76.460 118.452 -76.946 + 94.422 59.939 180.000 180.000 + 129.510 -90.472 107.750 -93.163 + 118.858-109.460 119.639-126.288 + 118.373-115.254 117.550-119.010 + 118.674-117.939 113.823-115.208 + 121.918 0.000 121.255 -80.971 + # 27 total E -7.56693E+01 rmsd from N 1.470 %NC 0.67 + 116.193 172.714 113.306 -79.707 + 91.757 92.047 137.402 -10.207 + 90.970 48.692 176.200 169.227 + 88.834 45.611 140.315 -94.600 + 89.268 46.634 121.111-139.893 + 89.124 53.026 125.550 -2.654 + 89.513 40.311 144.581 -49.577 + 91.112 66.143 128.655-136.976 + 90.746 -65.254 133.197-121.579 + 115.467-175.100 180.000 180.000 + 121.726 -23.827 180.000 180.000 + 90.547 67.746 100.775-101.347 + 90.426 32.682 110.144 -76.577 + 93.208-118.252 111.475 -73.317 + 96.050 156.012 180.000 180.000 + 125.240-109.205 154.742 -95.904 + 118.715-110.101 120.077-127.925 + 118.268-134.349 108.512-107.797 + 118.110-118.727 119.068-123.223 + 121.890 0.000 121.537 -80.956 + # 28 total E -7.29719E+01 rmsd from N 1.497 %NC 0.33 + 116.531 168.342 145.684 -11.774 + 91.397 83.088 139.066 -26.672 + 91.899 45.852 176.423 176.802 + 89.441 48.042 140.091 -95.189 + 89.538 44.450 116.368-130.638 + 89.712 52.864 159.330 126.265 + 90.042 44.594 142.474 -45.743 + 91.657 68.512 131.527-137.889 + 91.393 -57.462 142.101-127.648 + 115.630 -71.921 180.000 180.000 + 121.292 -53.835 180.000 180.000 + 92.595 71.846 100.907-100.349 + 93.420 132.957 113.287 -77.090 + 93.802 -78.905 113.425 -81.069 + 94.641 49.017 180.000 180.000 + 131.193 -92.674 136.601-147.931 + 118.369-111.443 115.873-121.601 + 118.559-120.990 114.610-115.061 + 117.455-127.253 115.721-118.757 + 120.959 0.000 147.774-138.671 + # 29 total E -7.96190E+01 rmsd from N 1.503 %NC 0.73 + 93.694 40.013 109.529 -81.756 + 91.486 87.853 129.389 -1.141 + 89.930 54.640 132.463 54.273 + 88.931 46.689 145.667 -97.390 + 89.156 44.734 126.847-142.909 + 89.732 55.310 125.757 18.790 + 90.183 35.355 142.531 -52.857 + 92.171 61.139 128.724-136.100 + 92.293 -49.280 132.942-109.881 + 118.316-155.945 180.000 180.000 + 131.193 -47.987 180.000 180.000 + 92.315 56.851 129.587-154.525 + 92.941 92.080 113.057 -76.476 + 127.033-105.711 115.816 -84.016 + 95.383 66.372 180.000 180.000 + 129.013-100.622 111.120 -91.779 + 120.005-111.095 117.791-123.393 + 117.651-113.254 113.883-115.675 + 118.419-118.265 114.771-117.371 + 120.794 0.000 145.674-121.955 + # 30 total E -8.14547E+01 rmsd from N 1.517 %NC 0.53 + 112.975 164.083 148.013-110.658 + 91.183 76.482 129.448 -2.522 + 91.590 47.233 175.598 170.960 + 89.483 46.217 139.189 -95.900 + 89.440 44.438 116.650-132.028 + 90.133 49.747 146.582 3.630 + 90.221 43.323 134.240 176.714 + 91.754 73.182 132.774-133.124 + 91.179 -59.745 135.935-117.190 + 112.251 -62.336 180.000 180.000 + 118.578 -58.675 180.000 180.000 + 92.961 72.465 98.247 -96.541 + 94.663 132.575 113.671 -77.196 + 92.541 -73.581 122.737 -74.482 + 94.633 51.508 180.000 180.000 + 129.805-101.269 106.151 -53.281 + 116.440-110.862 124.255-133.112 + 119.080-116.938 111.276-109.371 + 117.558-124.943 116.090-120.372 + 120.918 0.000 147.996-132.019 + # 31 total E -8.14540E+01 rmsd from N 1.519 %NC 0.53 + 112.962 164.168 147.883-109.838 + 91.200 76.657 129.544 -2.730 + 91.561 47.207 175.693 171.225 + 89.503 46.204 139.206 -95.781 + 89.436 44.394 116.706-132.018 + 90.139 49.772 146.456 3.174 + 90.217 43.236 134.280 176.438 + 91.770 73.160 132.871-133.286 + 91.175 -59.652 136.040-116.723 + 112.294 -62.436 180.000 180.000 + 118.693 -58.667 180.000 180.000 + 92.953 72.438 98.145 -96.399 + 94.659 132.724 113.711 -77.245 + 92.548 -73.563 122.858 -74.476 + 94.640 51.377 180.000 180.000 + 129.870-100.946 105.809 -53.545 + 116.428-110.848 124.277-133.152 + 119.090-116.898 111.357-109.443 + 117.515-125.067 116.076-120.343 + 120.992 0.000 148.094-132.304 + # 32 total E -7.77483E+01 rmsd from N 1.522 %NC 0.53 + 116.063 165.615 146.237 -14.603 + 91.512 83.408 137.068 -22.028 + 92.604 37.649 172.303 14.634 + 91.273 49.554 142.562 -93.196 + 90.030 44.421 115.063-127.931 + 90.297 47.697 156.934 28.782 + 90.301 57.467 133.295-170.408 + 90.856 78.709 136.342-121.603 + 90.684 -69.113 136.973-111.227 + 121.737 -91.675 180.000 180.000 + 122.998 -51.408 180.000 180.000 + 92.700 63.007 96.834 -91.799 + 93.836 97.778 113.503 -77.222 + 121.470 -93.729 119.573 -85.145 + 95.577 54.611 180.000 180.000 + 127.583-111.423 84.581 -72.583 + 117.528-113.264 120.560-128.140 + 117.436-116.987 144.808-160.546 + 118.587-119.438 112.552-112.935 + 120.819 0.000 147.420-116.166 + # 33 total E -7.85643E+01 rmsd from N 1.523 %NC 0.73 + 113.036 162.499 150.274-133.532 + 91.629 75.124 142.506-112.862 + 90.343 73.611 135.320 44.535 + 88.378 52.804 137.478 -97.616 + 89.924 41.825 80.232 -75.061 + 90.685 51.679 163.232 87.444 + 90.731 41.286 143.630 -44.031 + 92.212 70.751 113.747 112.742 + 90.559 -68.578 137.824-130.699 + 105.732 -66.962 180.000 180.000 + 99.304 -31.139 180.000 180.000 + 92.860 100.419 94.208 -88.356 + 94.603 112.610 115.018 -79.723 + 114.288 -97.413 124.574-161.431 + 95.257 58.098 180.000 180.000 + 126.246 -96.672 104.200 -91.969 + 118.435-110.427 118.678-125.171 + 118.060-115.729 120.035-121.355 + 118.566-118.321 115.260-117.556 + 121.863 0.000 121.446 -81.023 + # 34 total E -7.68029E+01 rmsd from N 1.540 %NC 0.73 + 113.238 163.308 150.488-141.484 + 91.490 67.002 127.893 -78.459 + 91.488 53.020 176.450 174.820 + 89.821 47.340 141.913 -93.866 + 89.740 44.824 114.872-125.741 + 90.303 56.986 125.551-101.864 + 89.985 46.239 143.690-164.492 + 91.392 66.347 92.049 -70.873 + 91.094 -74.142 139.216-117.518 + 108.096 -55.914 180.000 180.000 + 111.922 -67.164 180.000 180.000 + 92.417 71.185 136.730-163.134 + 92.914 135.700 114.202 -76.743 + 93.927 -73.419 117.608-152.392 + 94.156 60.631 180.000 180.000 + 129.236 -96.756 88.357 -63.483 + 116.866-107.294 119.950-127.379 + 117.900-135.316 111.063-110.524 + 116.232-123.275 121.105-127.957 + 122.592 0.000 122.660 -81.878 + # 35 total E -7.75287E+01 rmsd from N 1.541 %NC 0.67 + 112.844 163.319 147.277-110.618 + 91.442 75.889 130.183 -14.254 + 91.561 51.030 176.412 165.656 + 89.969 41.291 140.318 -91.789 + 89.854 45.287 112.032-123.618 + 90.001 56.388 126.489 -37.049 + 89.985 41.871 153.299-167.833 + 91.431 64.871 126.571-133.801 + 92.313 -54.217 136.402-121.974 + 113.077-163.007 180.000 180.000 + 143.173 -35.441 180.000 180.000 + 90.151 55.114 108.871-121.684 + 90.396 56.848 112.326 -76.682 + 93.682-111.407 108.994 -79.016 + 97.038 162.966 180.000 180.000 + 125.380-110.165 155.857 -91.273 + 121.197-110.832 115.435-120.358 + 118.267-139.003 111.007-111.743 + 116.869-118.853 128.993-136.553 + 120.757 0.000 148.543-108.611 + # 36 total E -7.95574E+01 rmsd from N 1.550 %NC 0.80 + 116.199 165.192 145.007 -14.000 + 91.398 84.345 136.576 -20.333 + 91.619 45.955 170.797 24.439 + 89.909 43.634 143.012 -88.957 + 89.550 45.953 115.188-125.766 + 89.627 59.468 125.628 -20.492 + 90.208 38.205 155.661-167.790 + 91.890 64.923 103.553-105.262 + 92.725 -64.419 133.780-120.156 + 109.471-162.496 180.000 180.000 + 150.008 -38.013 180.000 180.000 + 91.686 50.248 128.876-155.524 + 91.345 72.261 112.915 -76.354 + 123.842 -79.387 117.625 -81.907 + 97.629 86.154 180.000 180.000 + 134.717-109.345 126.249 -91.107 + 122.636-106.558 121.321-127.052 + 117.975-134.505 109.542-110.303 + 118.386-118.558 118.730-122.233 + 121.766 0.000 121.480 -81.075 + # 37 total E -7.88354E+01 rmsd from N 1.562 %NC 0.73 + 112.736 163.791 147.536-110.977 + 91.265 75.843 128.816 -4.135 + 91.617 51.047 175.170 156.491 + 89.856 42.119 140.887 -93.503 + 89.759 45.442 114.419-126.338 + 90.086 55.364 130.840 -20.259 + 90.648 41.006 149.579-167.257 + 92.847 58.909 127.664-134.198 + 93.811 -64.587 119.494 -84.759 + 112.695-161.721 180.000 180.000 + 152.050 -37.544 180.000 180.000 + 91.655 50.513 129.597-156.422 + 91.369 75.474 113.049 -76.280 + 123.784 -79.272 118.901 -82.709 + 97.506 85.053 180.000 180.000 + 134.511-105.175 121.207 -92.151 + 122.312-107.338 120.965-126.888 + 118.207-135.374 109.043-109.747 + 118.324-118.298 118.409-121.756 + 121.841 0.000 121.376 -80.932 + # 38 total E -7.65619E+01 rmsd from N 1.563 %NC 0.60 + 115.270 163.596 110.331 -80.910 + 91.457 78.786 145.410-121.709 + 89.786 51.878 121.191 -41.443 + 89.178 51.356 146.962 -96.398 + 89.840 44.681 106.214 -52.432 + 90.540 50.274 141.790 52.353 + 90.305 43.167 146.764-106.841 + 91.508 53.850 134.699-137.573 + 92.164 -92.975 136.272-109.019 + 120.437 -76.853 180.000 180.000 + 128.744 -64.365 180.000 180.000 + 93.131 56.924 96.936 -86.060 + 93.531 95.775 113.969 -77.122 + 124.254 -88.961 118.920 -87.512 + 96.028 66.581 180.000 180.000 + 128.970-101.716 109.232-119.420 + 119.320-110.865 115.601-120.060 + 117.673-116.808 124.532-128.715 + 118.706-116.729 114.518-115.295 + 120.491 0.000 144.623-121.563 + # 39 total E -7.93382E+01 rmsd from N 1.565 %NC 0.73 + 113.204 163.132 150.738-130.388 + 91.496 73.738 141.620 -89.942 + 89.949 66.263 132.856 45.329 + 88.425 48.631 145.021-101.722 + 89.525 44.727 93.053 -62.294 + 90.189 51.342 158.078 107.373 + 90.418 42.747 137.146 -52.185 + 92.339 64.180 132.465-137.370 + 91.553 -75.898 140.285-119.622 + 109.902 -54.715 180.000 180.000 + 109.646 -61.915 180.000 180.000 + 92.746 78.812 97.692 -89.556 + 94.360 126.331 113.484 -77.290 + 109.108 -82.248 119.968 -81.284 + 94.748 63.267 180.000 180.000 + 127.541 -81.801 111.890-117.111 + 118.111-109.035 120.482-128.025 + 118.712-114.639 117.725-118.277 + 118.645-116.873 114.335-117.618 + 120.487 0.000 145.069-121.317 + # 40 total E -7.80132E+01 rmsd from N 1.570 %NC 0.60 + 114.142 165.358 153.113-128.577 + 91.194 68.855 147.427-121.030 + 89.461 52.060 119.913 -39.922 + 89.095 49.783 149.875-103.008 + 89.723 44.169 97.020 -50.489 + 90.843 49.067 153.062 103.021 + 90.828 43.168 143.563 -89.649 + 92.640 65.924 135.709-139.130 + 91.443 -75.002 142.128-121.743 + 108.721 -54.482 180.000 180.000 + 109.231 -63.435 180.000 180.000 + 92.658 76.963 100.254 -95.487 + 94.240 125.651 132.974-123.233 + 110.708 -82.003 119.200 -82.088 + 94.658 63.287 180.000 180.000 + 126.579 -83.661 111.855-119.548 + 118.573-109.229 119.939-127.023 + 118.533-115.421 118.559-119.525 + 118.617-117.837 114.510-117.003 + 120.783 0.000 145.433-119.485 + # 41 total E -8.10889E+01 rmsd from N 1.577 %NC 0.60 + 113.342 165.163 148.991-112.158 + 91.224 73.746 126.480 -8.545 + 92.128 47.157 173.224 153.623 + 89.999 44.067 142.417 -97.631 + 89.920 47.452 112.966-126.262 + 90.341 54.587 148.054 39.308 + 89.987 41.358 142.546-147.361 + 91.993 66.088 126.860-132.364 + 91.701 -67.029 137.912-120.779 + 112.022 -65.363 180.000 180.000 + 120.550 -75.519 180.000 180.000 + 92.882 67.803 139.837-168.238 + 91.618 110.369 133.309 -99.567 + 93.184 -60.709 123.430-154.650 + 96.870 75.840 180.000 180.000 + 134.955-111.375 107.950 -50.743 + 118.210-106.733 122.500-129.775 + 118.316-136.550 108.538-107.695 + 117.924-118.666 119.853-124.935 + 121.785 0.000 121.520 -81.133 + # 42 total E -7.89310E+01 rmsd from N 1.578 %NC 0.73 + 112.850 163.716 147.842-111.507 + 91.253 75.837 128.889 -3.087 + 91.599 51.120 175.222 156.078 + 89.892 42.174 140.939 -94.002 + 89.808 44.970 114.688-126.595 + 90.106 57.421 130.081 -19.446 + 90.255 38.585 150.619-170.027 + 92.073 63.406 126.775-133.424 + 92.820 -66.964 132.998-114.584 + 109.582-162.730 180.000 180.000 + 151.789 -37.786 180.000 180.000 + 91.720 49.519 129.619-156.317 + 91.424 72.498 112.980 -76.197 + 125.898 -77.884 118.500 -81.831 + 97.583 86.075 180.000 180.000 + 133.757-106.851 126.765 -91.522 + 122.263-107.382 120.864-126.814 + 118.163-135.746 108.970-109.558 + 118.202-118.524 119.238-122.986 + 121.838 0.000 121.454 -81.030 + # 43 total E -7.95689E+01 rmsd from N 1.612 %NC 0.60 + 112.953 163.390 148.907-117.565 + 91.561 75.486 141.633 -26.232 + 90.980 51.311 176.428 173.583 + 88.615 46.424 139.535 -97.272 + 88.976 46.513 115.374-129.769 + 89.567 51.014 148.603 -0.150 + 90.091 42.551 142.712 -44.515 + 91.742 70.172 130.453-136.516 + 91.245 -62.278 134.650-116.456 + 114.199 -62.149 180.000 180.000 + 121.265 -53.932 180.000 180.000 + 92.844 69.709 99.414 -94.217 + 93.710 140.007 114.000 -77.519 + 93.553 -75.072 125.563-167.376 + 94.301 50.448 180.000 180.000 + 126.505 -94.141 96.764 -58.688 + 116.858-108.482 123.937-132.273 + 119.198-131.560 110.552-109.532 + 117.797-125.909 113.683-116.315 + 120.782 0.000 146.418-139.766 + # 44 total E -7.99882E+01 rmsd from N 1.615 %NC 0.73 + 112.357 163.788 145.479-101.869 + 91.558 77.027 138.486 -20.046 + 91.148 47.105 171.355 20.090 + 89.743 43.705 140.572 -88.682 + 89.569 46.724 113.666-126.072 + 89.668 65.052 124.373 -35.885 + 89.997 37.251 153.709 175.807 + 91.708 63.199 85.648 -77.280 + 92.809 -65.374 137.470-120.668 + 111.852-167.454 180.000 180.000 + 145.360 -41.488 180.000 180.000 + 90.355 54.776 134.728-165.257 + 90.438 60.572 113.688 -75.834 + 92.362-102.560 109.735 -80.101 + 96.089 136.732 180.000 180.000 + 124.955-105.131 143.613 -82.251 + 120.235-111.741 117.591-123.191 + 117.768-137.196 111.476-112.577 + 118.063-118.624 122.494-126.060 + 120.745 0.000 147.049-116.532 + # 45 total E -7.48334E+01 rmsd from N 1.634 %NC 0.53 + 113.558 163.941 151.669-132.135 + 91.348 69.838 144.069-122.777 + 90.081 53.591 122.600 -38.563 + 89.268 55.637 144.321 -94.260 + 89.384 44.958 119.190 -68.322 + 89.848 49.647 116.411-133.271 + 90.192 42.864 148.580-138.552 + 91.340 69.933 135.685-133.367 + 91.347 -39.592 135.825-109.279 + 119.391-153.140 180.000 180.000 + 124.273 -31.610 180.000 180.000 + 92.483 61.866 97.287 -89.526 + 93.264 83.258 112.803 -77.172 + 129.592-101.396 116.786 -83.467 + 95.948 67.195 180.000 180.000 + 130.398-107.416 96.424 -70.923 + 118.503-110.372 116.679-122.661 + 116.817-132.105 145.263-162.088 + 118.259-120.878 114.925-116.345 + 121.902 0.000 121.985 -80.930 + # 46 total E -7.90107E+01 rmsd from N 1.634 %NC 0.53 + 116.747 167.454 145.293 -12.569 + 91.378 82.706 136.843 -23.549 + 92.610 40.519 172.337 16.240 + 90.786 46.660 140.304 -90.065 + 90.143 43.682 113.650-126.113 + 89.771 54.642 153.095 53.934 + 89.897 45.419 136.047 169.447 + 90.692 70.019 124.546 143.191 + 91.453 -54.811 141.221 -34.226 + 117.047 -70.105 180.000 180.000 + 122.602 -57.253 180.000 180.000 + 92.553 66.452 100.303 -96.286 + 92.872 131.292 113.581 -77.230 + 93.060 -78.275 122.414-149.903 + 93.968 58.808 180.000 180.000 + 128.558-100.514 96.839 -57.623 + 116.570-107.693 119.413-126.115 + 118.059-134.865 114.088-114.021 + 117.426-131.946 115.380-118.757 + 120.648 0.000 147.638-150.605 + # 47 total E -8.08563E+01 rmsd from N 1.636 %NC 0.73 + 114.443 160.240 148.639 -24.588 + 91.735 85.933 135.905 -17.666 + 91.167 43.893 129.240 109.509 + 90.605 44.730 148.126 -95.132 + 90.355 42.375 121.044-125.977 + 91.311 50.780 143.765 6.637 + 91.054 37.399 138.924 -55.190 + 92.994 65.672 132.954-136.012 + 92.653 -75.885 131.933-113.162 + 107.213-159.787 180.000 180.000 + 144.651 -40.631 180.000 180.000 + 91.721 52.975 131.519-159.607 + 91.371 72.570 112.881 -76.216 + 125.754 -84.539 116.380 -82.732 + 97.281 89.976 180.000 180.000 + 132.534-103.244 123.952 -87.012 + 122.548-108.995 120.084-125.555 + 118.458-134.647 109.137-110.298 + 118.755-118.293 116.420-117.825 + 120.676 0.000 145.977-121.865 + # 48 total E -8.19511E+01 rmsd from N 1.646 %NC 0.60 + 113.154 163.013 150.423-130.837 + 91.508 71.086 142.245 -36.901 + 90.835 51.473 169.267 17.889 + 88.772 47.562 139.004 -91.460 + 88.943 44.957 115.297-128.580 + 89.794 50.129 147.589 12.360 + 90.236 45.879 135.664 163.123 + 91.575 75.291 133.558-132.765 + 90.878 -58.098 134.996-129.595 + 108.737 -69.502 180.000 180.000 + 103.603 -31.972 180.000 180.000 + 92.464 96.643 100.304 -96.308 + 94.783 121.778 111.001 -79.399 + 94.413 -89.176 123.072-176.213 + 95.010 51.793 180.000 180.000 + 129.441 -91.103 95.515 -60.815 + 116.355-108.835 123.286-131.766 + 119.398-131.060 112.558-111.326 + 117.729-128.617 113.837-116.603 + 120.676 0.000 146.993-144.171 + # 49 total E -8.32930E+01 rmsd from N 1.657 %NC 0.60 + 116.424 164.926 144.891 -13.156 + 91.320 86.541 132.332 -14.707 + 92.039 45.545 176.014 171.787 + 89.700 46.669 140.559 -95.838 + 89.504 44.143 116.417-131.836 + 90.068 49.578 149.009 3.622 + 90.350 42.143 133.532 178.446 + 91.853 71.531 133.023-133.053 + 91.207 -59.352 135.084-118.105 + 113.009 -62.256 180.000 180.000 + 120.831 -55.807 180.000 180.000 + 92.642 70.643 98.375 -98.100 + 93.438 137.577 113.782 -77.474 + 92.240 -73.410 124.859-165.811 + 94.139 46.274 180.000 180.000 + 128.398 -97.020 102.341 -55.217 + 116.234-110.759 124.359-133.270 + 119.210-115.985 110.693-108.646 + 117.718-123.761 115.346-119.449 + 120.836 0.000 147.769-129.314 + # 50 total E -7.49839E+01 rmsd from N 1.659 %NC 0.67 + 116.019 164.392 146.337 -15.087 + 91.492 84.212 141.209 -21.726 + 92.351 39.532 170.130 13.197 + 90.833 48.061 145.621 -97.321 + 90.075 45.043 114.543-127.566 + 90.560 52.874 120.012 38.589 + 90.107 44.899 146.474-137.881 + 91.073 64.294 119.633 146.031 + 92.432 -87.446 148.316 -35.522 + 128.503 -81.820 180.000 180.000 + 110.460 -31.500 180.000 180.000 + 92.717 88.971 95.101 -83.850 + 94.997 87.581 108.838 -79.897 + 116.185 -96.718 141.750-177.285 + 95.747 54.663 180.000 180.000 + 132.035-100.387 146.134 71.353 + 118.993-109.904 114.253-118.935 + 116.713-131.436 142.503-156.643 + 119.184-118.569 113.946-114.140 + 120.831 0.000 147.997-112.364 + # 51 total E -8.29288E+01 rmsd from N 1.664 %NC 0.60 + 116.068 164.568 145.003 -14.822 + 91.382 87.137 132.953 -15.124 + 92.090 45.225 176.222 172.777 + 89.778 46.794 140.664 -95.720 + 89.550 43.784 116.525-131.881 + 90.083 50.036 148.249 1.209 + 90.346 41.822 134.010 178.181 + 91.833 71.268 132.830-133.209 + 91.230 -58.667 134.880-118.266 + 113.515 -62.948 180.000 180.000 + 120.934 -55.915 180.000 180.000 + 92.679 70.323 98.549 -98.257 + 93.458 138.107 132.104-120.657 + 92.264 -73.206 122.520-167.120 + 94.109 45.948 180.000 180.000 + 128.499 -96.158 101.293 -55.998 + 116.234-110.578 124.197-133.148 + 119.191-116.201 110.756-108.708 + 117.724-124.118 115.289-119.403 + 120.956 0.000 147.962-130.178 + # 52 total E -8.18579E+01 rmsd from N 1.665 %NC 0.60 + 115.985 172.823 114.113 -81.691 + 91.591 83.501 141.375 -32.349 + 90.968 47.941 124.995 117.848 + 89.980 45.716 147.743 -97.026 + 89.761 44.885 115.878 -27.749 + 90.609 48.636 176.462 170.483 + 90.470 47.319 140.762-139.160 + 92.095 73.499 135.453-133.468 + 90.418 -72.232 137.341-112.021 + 104.562 -55.945 180.000 180.000 + 110.458 -73.160 180.000 180.000 + 92.657 68.248 132.236-159.748 + 93.495 107.993 134.916-100.550 + 114.231 -60.518 123.725 -79.922 + 95.799 76.707 180.000 180.000 + 125.937-106.862 95.191 -93.702 + 120.592-109.213 120.306-126.715 + 117.630-136.203 108.318-108.951 + 118.036-118.431 121.343-126.265 + 120.863 0.000 146.884-117.571 + # 53 total E -8.31548E+01 rmsd from N 1.669 %NC 0.60 + 116.003 171.076 113.168 -80.483 + 91.705 86.814 133.599 -15.336 + 91.992 44.791 175.937 173.961 + 89.765 46.914 140.234 -95.321 + 89.508 44.292 116.161-132.281 + 90.049 49.457 149.573 5.983 + 90.383 42.221 133.403 179.664 + 91.913 72.073 133.120-133.051 + 91.168 -59.464 135.401-117.831 + 112.413 -62.092 180.000 180.000 + 120.196 -55.537 180.000 180.000 + 92.647 71.626 98.916 -99.149 + 93.465 137.317 113.638 -77.488 + 92.207 -73.564 124.982-166.490 + 94.189 45.425 180.000 180.000 + 128.170 -96.705 102.316 -55.347 + 116.243-111.273 124.462-133.551 + 119.429-115.819 109.780-107.217 + 117.132-122.747 115.915-120.797 + 122.412 0.000 122.684 -81.385 + # 54 total E -8.32909E+01 rmsd from N 1.671 %NC 0.60 + 115.942 163.831 145.310 -16.310 + 91.480 87.869 133.619 -16.259 + 92.093 45.065 176.230 172.755 + 89.815 46.641 140.731 -96.018 + 89.555 43.840 116.372-131.709 + 90.102 49.934 148.398 1.296 + 90.321 41.929 133.968 178.080 + 91.822 71.222 132.888-133.238 + 91.228 -58.806 134.924-118.051 + 113.418 -63.014 180.000 180.000 + 120.831 -55.578 180.000 180.000 + 92.647 70.659 98.389 -97.968 + 93.434 137.755 113.577 -77.588 + 92.184 -73.364 124.565-166.242 + 94.145 46.005 180.000 180.000 + 128.697 -96.008 101.400 -55.946 + 116.242-110.621 124.478-133.401 + 119.189-116.354 110.849-108.762 + 117.733-124.292 115.193-119.262 + 120.945 0.000 147.966-130.141 + # 55 total E -8.29274E+01 rmsd from N 1.671 %NC 0.60 + 116.023 163.823 145.511 -16.046 + 91.457 87.661 133.443 -15.995 + 92.094 45.087 176.304 172.510 + 89.776 46.734 140.752 -95.906 + 89.547 43.909 116.513-131.796 + 90.072 49.900 148.564 1.708 + 90.329 41.890 133.870 178.362 + 91.840 71.284 132.830-133.048 + 91.233 -58.898 134.958-118.069 + 113.403 -62.657 180.000 180.000 + 120.970 -55.934 180.000 180.000 + 92.692 70.320 98.589 -98.235 + 93.472 137.908 132.280-121.182 + 92.233 -73.225 122.652-166.698 + 94.138 46.091 180.000 180.000 + 128.494 -96.412 101.735 -55.694 + 116.261-110.634 124.303-133.202 + 119.199-116.206 110.700-108.710 + 117.708-124.020 115.346-119.505 + 120.860 0.000 147.899-129.635 + # 56 total E -8.29725E+01 rmsd from N 1.672 %NC 0.60 + 116.332 164.661 145.224 -14.174 + 91.411 86.756 132.633 -15.557 + 92.109 44.579 175.870 173.453 + 89.762 47.315 140.647 -96.372 + 89.499 43.977 116.451-132.015 + 90.063 49.724 149.542 4.610 + 90.351 41.931 133.404-179.860 + 91.927 71.841 133.079-133.068 + 91.214 -59.113 135.248-118.658 + 112.825 -61.918 180.000 180.000 + 120.361 -56.193 180.000 180.000 + 92.690 71.002 98.904 -99.267 + 93.507 137.939 131.879-121.840 + 92.174 -73.026 122.557-167.366 + 94.154 45.358 180.000 180.000 + 128.147 -96.778 102.447 -55.239 + 116.206-111.332 124.482-133.610 + 119.408-115.918 109.842-107.279 + 117.119-123.355 115.878-120.702 + 122.338 0.000 122.613 -81.397 + # 57 total E -8.33338E+01 rmsd from N 1.678 %NC 0.60 + 116.014 163.936 145.574 -15.888 + 91.441 87.558 133.068 -16.379 + 92.173 44.478 175.876 173.440 + 89.827 47.240 140.671 -96.401 + 89.513 43.945 116.365-131.938 + 90.052 49.740 149.522 4.177 + 90.355 41.985 133.465 179.878 + 91.894 71.789 133.066-133.130 + 91.211 -59.219 135.227-117.989 + 112.704 -62.194 180.000 180.000 + 120.497 -55.781 180.000 180.000 + 92.633 71.255 98.703 -98.791 + 93.478 137.707 113.769 -77.524 + 92.163 -73.199 124.863-166.961 + 94.162 45.274 180.000 180.000 + 128.303 -96.405 102.239 -55.476 + 116.216-111.390 124.423-133.564 + 119.450-115.832 109.801-107.180 + 117.139-122.807 115.920-120.772 + 122.369 0.000 122.640 -81.525 + # 58 total E -7.90287E+01 rmsd from N 1.682 %NC 0.60 + 114.161 165.296 153.319-129.242 + 91.181 68.421 146.375-112.294 + 89.842 51.522 119.502 -40.468 + 89.493 47.623 149.740-102.993 + 89.812 44.293 95.598 -50.050 + 91.191 49.612 154.949 105.477 + 90.958 45.101 142.732 -85.947 + 92.792 70.514 135.204-137.038 + 90.955 -73.063 136.235-136.469 + 101.343 -59.872 180.000 180.000 + 96.374 -37.534 180.000 180.000 + 92.591 105.741 104.421 -95.780 + 95.523 112.891 111.978 -78.057 + 113.908 -94.150 119.538 -76.697 + 95.023 69.838 180.000 180.000 + 129.697 -79.729 113.025 -91.336 + 118.580-106.618 119.606-126.750 + 118.517-131.336 116.396-117.163 + 119.142-117.995 113.893-115.151 + 121.937 0.000 121.478 -81.066 + # 59 total E -7.57416E+01 rmsd from N 1.691 %NC 0.40 + 113.890 164.401 152.411-127.847 + 91.232 72.454 155.012-113.503 + 90.018 46.684 120.733 -38.462 + 89.858 46.095 140.121 -97.227 + 90.197 41.591 121.673-123.809 + 90.622 50.835 137.689 88.114 + 90.692 42.425 135.962-178.845 + 92.121 64.460 134.084-133.122 + 92.058 -50.019 143.573-146.579 + 120.100 -71.872 180.000 180.000 + 124.433 -54.499 180.000 180.000 + 92.562 64.886 100.370 -99.812 + 93.230 130.318 131.669-122.651 + 116.354 -87.737 127.591-147.502 + 95.112 59.984 180.000 180.000 + 127.140-105.791 104.852 -58.038 + 117.806-111.361 118.468-125.146 + 116.491-114.561 147.899-165.934 + 118.604-118.625 114.664-118.113 + 121.882 0.000 121.472 -81.075 + # 60 total E -7.97880E+01 rmsd from N 1.691 %NC 0.67 + 116.613 171.688 146.373 -10.444 + 91.276 77.667 147.783-123.423 + 89.771 51.003 120.444 -40.788 + 89.141 51.388 152.559-101.830 + 89.732 43.570 98.092 -48.083 + 90.846 49.497 150.675 98.394 + 90.704 41.634 143.939 -95.192 + 92.427 65.547 136.159-142.114 + 91.637 -77.090 144.492 -33.077 + 110.041 -53.804 180.000 180.000 + 111.255 -64.320 180.000 180.000 + 92.687 72.790 102.061 -98.300 + 93.522 126.887 113.902 -77.548 + 115.823 -85.343 123.652-136.717 + 94.423 61.624 180.000 180.000 + 122.827 -83.557 118.118 -77.318 + 119.162-109.658 117.774-123.545 + 118.389-116.314 118.758-120.129 + 118.560-117.644 115.528-118.276 + 120.541 0.000 145.507-121.244 + # 61 total E -7.80970E+01 rmsd from N 1.692 %NC 0.67 + 112.939 165.958 147.147-102.771 + 91.506 76.375 132.238 -17.987 + 92.313 41.149 176.433 178.782 + 91.390 47.063 138.966 -95.408 + 90.947 41.349 114.133-126.063 + 91.197 50.804 152.235 106.510 + 90.500 59.520 147.098-151.876 + 91.615 74.678 138.430-131.379 + 90.331 -64.429 142.219 -85.204 + 108.316 -71.563 180.000 180.000 + 115.019 -62.880 180.000 180.000 + 92.404 69.729 139.697-168.936 + 93.120 100.147 113.344 -76.253 + 121.708 -82.050 120.357 -82.783 + 95.423 78.910 180.000 180.000 + 130.039 -83.156 90.606 -78.482 + 118.579-108.142 120.436-127.930 + 119.900-138.374 109.431-108.354 + 118.482-119.926 119.203-123.129 + 120.930 0.000 147.829-118.371 + # 62 total E -7.83819E+01 rmsd from N 1.694 %NC 0.60 + 117.659 175.531 143.366 -8.542 + 91.361 76.628 145.495-113.324 + 89.970 60.695 149.684 42.389 + 88.036 51.617 135.361 -85.421 + 88.824 45.444 120.040-126.818 + 89.376 51.355 122.118 -7.822 + 90.774 41.463 161.166-168.391 + 93.009 63.747 132.380-135.120 + 93.034 -59.648 118.930 -81.608 + 111.708-161.937 180.000 180.000 + 146.401 -41.991 180.000 180.000 + 92.040 51.711 127.994-153.931 + 91.744 76.828 133.419-104.719 + 125.395 -81.067 118.030 -83.275 + 97.171 83.456 180.000 180.000 + 133.475-103.222 118.625 -89.525 + 121.656-108.105 119.346-125.091 + 117.787-136.666 109.750-111.018 + 117.735-118.715 123.100-128.773 + 120.894 0.000 147.465-115.016 + # 63 total E -8.22689E+01 rmsd from N 1.694 %NC 0.67 + 114.601 161.130 149.537 -22.907 + 91.729 85.873 134.824 -18.558 + 91.444 42.665 129.148 109.241 + 90.406 46.214 142.072 -91.006 + 89.983 42.939 120.494-127.876 + 90.823 49.835 143.307 6.578 + 91.113 38.528 141.232 165.963 + 92.781 65.231 133.180-132.376 + 92.866 -76.671 131.669-113.233 + 106.834-162.597 180.000 180.000 + 148.489 -38.550 180.000 180.000 + 91.752 50.854 129.725-156.888 + 91.549 72.525 112.753 -76.295 + 127.645 -82.035 117.685 -82.297 + 97.406 87.976 180.000 180.000 + 132.356-103.430 124.100 -86.999 + 122.392-108.842 119.927-125.314 + 118.232-135.231 110.254-111.735 + 118.823-118.474 116.432-117.392 + 121.723 0.000 121.353 -80.954 + # 64 total E -7.90854E+01 rmsd from N 1.727 %NC 0.53 + 113.135 162.888 150.263-131.507 + 91.587 72.148 142.354 -36.572 + 91.122 56.361 176.439 171.814 + 88.515 45.439 140.273 -96.548 + 88.982 46.630 112.996-126.225 + 89.605 51.447 154.602 16.336 + 90.005 45.316 142.322 -44.278 + 91.665 73.135 130.449-135.921 + 90.433 -62.977 133.361-130.458 + 107.692 -69.537 180.000 180.000 + 101.084 -26.095 180.000 180.000 + 92.954 101.856 100.536 -91.455 + 95.314 117.552 114.245 -77.266 + 108.780 -93.233 138.812 -33.298 + 95.021 53.649 180.000 180.000 + 127.159 -95.911 93.997 -59.245 + 116.209-107.145 122.437-130.034 + 118.266-135.060 114.932-115.228 + 117.602-124.835 116.349-119.681 + 120.992 0.000 147.337-133.106 + # 65 total E -8.39032E+01 rmsd from N 1.730 %NC 0.73 + 114.157 165.224 153.681-133.473 + 91.204 66.724 132.268 -77.255 + 90.264 53.802 119.503 112.484 + 89.215 46.387 148.797 -91.725 + 90.528 44.103 104.185 -56.469 + 90.512 51.564 151.051 58.346 + 90.209 44.309 138.451-146.300 + 91.719 68.581 134.381-139.014 + 91.075 -68.885 142.382 -36.650 + 109.338 -62.688 180.000 180.000 + 110.634 -68.834 180.000 180.000 + 92.570 66.377 131.546-157.472 + 93.787 128.280 113.578 -76.455 + 125.918 -86.415 119.536 -86.679 + 94.821 65.356 180.000 180.000 + 125.622 -85.731 109.871 -56.662 + 118.484-105.497 121.128-127.397 + 117.692-135.923 111.053-112.581 + 119.275-110.924 117.496-120.457 + 121.276 0.000 119.572 -81.048 + # 66 total E -8.18853E+01 rmsd from N 1.733 %NC 0.53 + 114.457 161.898 148.983 -24.049 + 91.716 84.393 130.881 -20.602 + 92.323 40.517 136.741 106.391 + 90.749 47.416 144.802 -90.909 + 90.063 43.874 116.692-125.926 + 91.086 52.613 123.788 39.422 + 90.599 37.515 146.789-165.304 + 92.588 64.666 130.702-133.255 + 92.921 -60.769 138.140-119.401 + 119.591-161.091 180.000 180.000 + 123.203 -26.418 180.000 180.000 + 91.562 66.954 101.687-100.814 + 91.729 22.654 110.934 -76.809 + 97.066-101.185 116.410 -73.924 + 115.676-179.502 180.000 180.000 + 133.937 -77.712 98.268 -68.755 + 115.942-108.937 112.741-119.396 + 121.482-138.057 112.890-111.845 + 117.741-118.759 124.143-128.764 + 121.068 0.000 147.540-114.332 + # 67 total E -8.09393E+01 rmsd from N 1.740 %NC 0.47 + 116.580 179.705 115.009 -81.692 + 91.602 86.035 129.271 -26.636 + 91.558 45.597 92.998 -84.477 + 90.756 44.109 148.060 -94.456 + 90.182 42.237 118.596-120.794 + 90.654 52.458 160.513 36.609 + 90.325 44.271 130.652-169.693 + 91.771 71.331 133.544-133.536 + 90.663 -62.080 135.432-127.105 + 107.371 -66.426 180.000 180.000 + 100.915 -27.568 180.000 180.000 + 92.647 101.596 99.734 -93.116 + 95.240 122.422 113.894 -77.455 + 91.613 -78.995 133.854 -3.069 + 94.391 28.220 180.000 180.000 + 133.106 -85.201 139.217 83.977 + 118.284-111.013 117.335-123.947 + 119.310-114.107 119.087-119.783 + 118.490-118.339 113.350-115.896 + 120.629 0.000 145.714-122.498 + # 68 total E -7.51334E+01 rmsd from N 1.751 %NC 0.60 + 113.966 164.868 152.764-127.363 + 91.220 70.158 149.920-114.233 + 89.664 49.558 118.102 -37.753 + 89.728 48.830 146.398-100.268 + 89.772 44.070 125.213-120.061 + 90.840 49.834 161.683 109.995 + 90.612 43.201 145.110 -86.749 + 92.093 66.309 134.165-138.571 + 91.927 -68.094 139.988-114.700 + 114.757-163.616 180.000 180.000 + 125.390 -30.251 180.000 180.000 + 90.831 66.295 100.661 -99.811 + 91.056 29.648 111.422 -76.713 + 96.312-125.616 113.047 -70.422 + 96.322 163.801 180.000 180.000 + 127.947-100.971 119.349 -79.157 + 120.084-110.914 123.075-130.872 + 119.683-113.731 112.043-111.568 + 119.292-111.752 109.780-110.359 + 121.218 0.000 119.789 -80.662 + # 69 total E -8.16305E+01 rmsd from N 1.766 %NC 0.53 + 116.502 167.031 144.868 -12.009 + 91.380 82.938 135.832 -22.643 + 92.162 42.214 172.611 18.447 + 90.286 46.189 141.217 -90.013 + 89.693 43.649 114.734-127.092 + 90.073 50.409 139.296 -12.788 + 90.443 44.874 140.935 173.673 + 92.058 66.962 134.617-133.393 + 91.969 -56.217 120.136 -83.209 + 119.270 -61.859 180.000 180.000 + 122.454 -59.073 180.000 180.000 + 93.203 65.827 96.520 -87.134 + 94.527 132.973 114.065 -76.999 + 93.685 -74.303 122.520 -74.859 + 94.779 57.330 180.000 180.000 + 129.236 -99.203 103.667-101.451 + 117.686-110.355 120.835-129.139 + 118.494-136.518 113.394-112.600 + 117.190-133.418 116.055-119.272 + 120.604 0.000 147.716-152.175 + # 70 total E -7.79583E+01 rmsd from N 1.766 %NC 0.53 + 112.862 164.201 147.311-108.502 + 91.557 76.224 133.444 -20.569 + 92.037 44.817 176.398 174.563 + 90.083 46.025 137.152 -91.326 + 90.188 42.623 114.123-127.016 + 90.520 51.031 163.284 96.126 + 90.370 43.585 140.796 178.110 + 91.595 66.555 133.213-132.714 + 91.573 -55.549 139.503-121.011 + 118.259 -67.589 180.000 180.000 + 124.091 -47.478 180.000 180.000 + 92.343 68.334 103.648-104.482 + 92.349 145.405 113.639 -77.397 + 94.652 -71.334 118.156-160.969 + 94.294 26.371 180.000 180.000 + 125.399 -82.971 132.935-146.786 + 117.860-117.669 115.612-121.393 + 116.709-111.263 145.262-162.430 + 118.233-120.682 112.248-114.135 + 120.876 0.000 146.728-124.711 + # 71 total E -8.12990E+01 rmsd from N 1.767 %NC 0.60 + 93.862 110.723 145.951 -12.292 + 91.618 82.201 136.070 -21.099 + 91.757 43.063 173.710 17.876 + 89.817 46.752 140.472 -91.580 + 89.448 44.607 115.006-129.356 + 89.922 49.213 151.198 0.761 + 90.410 42.421 134.802 174.283 + 91.893 71.520 133.699-132.820 + 91.239 -60.256 134.926-116.840 + 112.671 -61.755 180.000 180.000 + 119.991 -51.342 180.000 180.000 + 92.658 73.973 97.762 -96.689 + 93.379 134.040 113.384 -77.570 + 92.011 -73.866 126.042-166.663 + 94.338 46.315 180.000 180.000 + 132.123 -91.807 142.956 157.596 + 117.737-110.412 120.496-128.561 + 119.046-130.396 111.714-110.370 + 117.878-127.219 114.586-117.782 + 120.793 0.000 147.709-138.540 + # 72 total E -7.83468E+01 rmsd from N 1.782 %NC 0.60 + 118.403 175.715 140.479 -7.197 + 91.106 77.795 149.737-123.143 + 91.772 43.139 176.461-175.735 + 90.259 52.727 138.760 -94.192 + 90.068 38.832 117.836-133.212 + 91.142 51.786 131.342 -10.014 + 91.140 36.619 145.635-168.557 + 93.005 68.597 134.396-133.582 + 92.207 -63.786 134.675-119.149 + 106.986-160.546 180.000 180.000 + 144.677 -36.510 180.000 180.000 + 92.069 52.783 129.743-156.442 + 91.786 71.532 112.894 -76.283 + 130.105 -82.299 116.943 -83.231 + 96.630 92.944 180.000 180.000 + 130.684 -81.750 130.268 -89.974 + 120.647-113.214 111.525-115.493 + 119.966-139.543 111.707-111.808 + 118.925-116.368 118.610-120.888 + 121.566 0.000 120.905 -80.735 + # 73 total E -7.67574E+01 rmsd from N 1.786 %NC 0.80 + 115.524 166.025 149.305 -15.270 + 91.674 83.587 141.282 -29.636 + 89.858 57.906 134.158 50.159 + 88.404 45.684 143.816 -96.998 + 88.957 46.135 120.062-127.905 + 89.840 56.350 131.501 26.678 + 90.009 35.561 141.038 -51.551 + 92.162 60.620 130.369-135.836 + 92.154 -58.675 135.023-111.597 + 118.623-166.008 180.000 180.000 + 136.394 -56.419 180.000 180.000 + 91.650 55.238 108.151-121.360 + 93.072 65.279 112.801 -76.867 + 127.395 -93.988 144.363 -60.239 + 97.389 79.825 180.000 180.000 + 131.833-106.820 126.033-128.163 + 121.969-112.439 115.909-119.369 + 117.433-112.352 125.516-130.940 + 119.015-117.760 109.564-108.766 + 120.715 0.000 145.133-122.197 + # 74 total E -8.22781E+01 rmsd from N 1.787 %NC 0.60 + 113.294 163.465 150.812-127.692 + 91.439 70.947 143.380 -37.121 + 91.201 47.724 168.539 13.724 + 89.294 49.357 138.709 -90.515 + 89.343 43.121 116.627-129.660 + 90.368 49.952 141.256 -5.797 + 90.495 42.320 139.826 171.137 + 91.802 71.251 134.538-133.011 + 91.605 -60.734 134.461-118.943 + 117.431 -53.532 180.000 180.000 + 125.354 -56.939 180.000 180.000 + 93.346 64.382 95.673 -88.732 + 94.257 142.201 114.751 -77.262 + 93.772 -73.018 127.669-173.280 + 94.342 50.190 180.000 180.000 + 124.710 -97.266 97.060 -58.105 + 116.387-108.010 122.809-130.872 + 118.673-134.564 111.322-110.292 + 117.261-119.401 117.089-121.134 + 121.980 0.000 121.753 -81.019 + # 75 total E -8.02910E+01 rmsd from N 1.793 %NC 0.60 + 113.272 165.444 148.853-110.109 + 91.443 72.743 141.536 -26.908 + 90.891 49.060 169.101 20.931 + 89.525 44.668 146.479 -94.161 + 89.718 46.392 114.336 -34.849 + 89.897 52.646 157.117 107.708 + 90.197 42.562 150.088-126.674 + 92.230 65.366 129.990-137.542 + 91.951 -61.428 145.290-119.212 + 114.995 -62.067 180.000 180.000 + 120.274 -56.536 180.000 180.000 + 92.686 73.410 135.571-161.806 + 92.180 126.033 113.408 -76.686 + 93.516 -74.471 122.307-152.598 + 94.849 66.707 180.000 180.000 + 132.170 -98.790 98.936 -58.179 + 117.703-107.239 121.071-128.366 + 118.547-135.830 109.556-108.512 + 118.046-118.696 120.094-125.306 + 121.864 0.000 121.491 -80.979 + # 76 total E -8.52530E+01 rmsd from N 1.799 %NC 0.67 + 113.744 159.588 149.737 -29.368 + 91.859 86.064 137.916 -20.755 + 91.243 47.047 126.789 102.606 + 90.694 41.994 147.527 -92.826 + 90.257 44.340 118.991-122.154 + 90.365 51.933 160.723 29.127 + 90.231 47.047 139.609 -51.105 + 91.925 73.296 133.501-137.262 + 90.399 -67.135 136.341-122.188 + 103.593 -64.436 180.000 180.000 + 98.758 -31.340 180.000 180.000 + 92.862 103.079 105.973 -92.997 + 95.188 125.766 113.406 -77.335 + 96.245 -87.085 115.846 -73.304 + 94.854 69.562 180.000 180.000 + 131.854 -77.212 107.693 -60.643 + 117.350-104.075 124.946-133.807 + 118.963-134.307 108.979-108.585 + 118.442-118.630 118.099-123.428 + 120.768 0.000 146.482-119.168 + # 77 total E -8.48152E+01 rmsd from N 1.802 %NC 0.67 + 113.971 159.027 150.423 -26.544 + 91.893 85.673 137.778 -21.263 + 91.192 47.061 126.918 102.972 + 90.680 41.815 147.322 -93.096 + 90.300 44.328 118.733-121.923 + 90.330 52.323 160.707 29.045 + 90.228 47.039 139.754 -51.198 + 91.954 73.078 133.123-137.091 + 90.435 -66.472 136.216-121.972 + 103.483 -65.455 180.000 180.000 + 96.727 -29.262 180.000 180.000 + 92.659 105.576 107.124 -96.683 + 95.117 124.165 121.889-115.354 + 96.478 -88.338 115.589 -73.247 + 94.812 70.224 180.000 180.000 + 132.166 -76.743 107.876 -61.068 + 117.321-103.891 124.767-133.597 + 118.941-134.431 108.904-108.487 + 118.515-118.327 118.366-123.885 + 120.680 0.000 146.642-118.395 + # 78 total E -8.52510E+01 rmsd from N 1.803 %NC 0.67 + 113.764 159.387 149.286 -29.134 + 91.867 86.468 137.659 -21.152 + 91.229 47.115 126.813 102.817 + 90.663 41.971 147.586 -92.850 + 90.290 44.321 118.662-122.660 + 90.382 51.830 160.606 29.530 + 90.232 47.220 139.506 -51.595 + 91.928 73.230 133.671-137.117 + 90.449 -67.131 136.428-122.106 + 103.622 -64.161 180.000 180.000 + 98.925 -31.631 180.000 180.000 + 92.858 102.873 106.194 -93.591 + 95.140 126.323 112.858 -77.527 + 96.241 -86.814 115.753 -72.920 + 94.748 69.374 180.000 180.000 + 131.839 -77.027 107.661 -60.896 + 117.356-103.943 124.929-133.787 + 118.908-134.489 108.822-108.488 + 118.455-118.577 118.155-123.588 + 120.769 0.000 146.663-119.056 + # 79 total E -7.76511E+01 rmsd from N 1.806 %NC 0.53 + 113.509 163.827 151.226-128.880 + 91.316 70.630 149.451-113.153 + 91.011 44.408 164.609 3.519 + 89.897 51.943 137.945 -90.483 + 89.745 41.368 119.118-131.080 + 90.625 49.724 131.307 -11.259 + 91.399 39.861 149.188-173.951 + 93.493 64.976 136.094-133.221 + 92.848 -60.675 121.099 -84.885 + 110.401-157.870 180.000 180.000 + 143.305 -36.696 180.000 180.000 + 92.034 53.988 130.881-157.809 + 91.863 73.815 112.933 -76.332 + 130.512 -83.132 118.005 -84.251 + 96.600 91.336 180.000 180.000 + 131.027 -80.944 125.077 -90.750 + 120.598-113.102 111.158-114.924 + 119.998-138.755 111.391-111.446 + 118.648-118.433 118.936-121.707 + 120.805 0.000 146.234-119.183 + # 80 total E -8.58738E+01 rmsd from N 1.819 %NC 0.67 + 113.837 159.872 149.970 -25.761 + 91.840 85.231 137.855 -21.433 + 91.179 47.861 127.707 105.783 + 90.525 41.560 148.613 -93.493 + 90.134 47.070 119.066-121.138 + 90.342 51.939 162.500 33.019 + 90.279 47.642 145.288-129.874 + 91.839 71.453 130.860-135.217 + 90.684 -68.344 135.549-121.246 + 104.031 -63.766 180.000 180.000 + 98.913 -31.575 180.000 180.000 + 92.803 103.132 107.880 -95.286 + 94.994 126.871 113.260 -77.608 + 96.382 -86.721 115.153 -73.974 + 94.798 69.633 180.000 180.000 + 131.769 -77.135 107.896 -60.932 + 117.360-103.723 124.904-133.726 + 118.852-134.565 108.777-108.497 + 118.504-118.791 118.302-123.597 + 120.676 0.000 146.401-119.265 + # 81 total E -8.23174E+01 rmsd from N 1.831 %NC 0.67 + 113.587 166.063 149.508-108.811 + 91.064 77.060 129.687 -2.937 + 90.141 48.365 126.810-103.515 + 90.180 44.694 143.674-104.957 + 90.070 43.590 122.105-127.629 + 91.027 47.767 149.897 12.406 + 90.655 44.015 128.286-157.351 + 91.974 75.049 134.945-133.421 + 90.833 -63.433 135.919-119.015 + 111.036 -60.925 180.000 180.000 + 114.180 -54.134 180.000 180.000 + 92.870 76.420 102.730 -93.654 + 93.256 128.495 113.022 -77.449 + 94.989 -81.827 121.897-138.088 + 94.101 67.798 180.000 180.000 + 131.108 -76.130 113.036 -96.271 + 118.316-104.981 119.577-126.955 + 119.566-137.703 112.156-111.950 + 121.381 -89.625 115.564-118.337 + 119.086 0.000 115.091 -79.431 + # 82 total E -7.96186E+01 rmsd from N 1.843 %NC 0.67 + 113.157 163.082 150.536-133.536 + 91.494 69.709 137.686 -86.857 + 90.885 58.363 176.455 174.194 + 89.414 50.697 144.763 -95.537 + 90.362 40.746 92.396 -58.031 + 90.852 53.153 155.575 90.947 + 90.540 40.711 144.361-149.836 + 92.229 63.724 133.714-135.188 + 91.424 -70.235 140.113-124.625 + 111.392 -57.006 180.000 180.000 + 112.041 -72.578 180.000 180.000 + 92.320 66.992 138.619-167.281 + 92.898 123.688 114.009 -76.844 + 122.362 -91.210 121.109-126.752 + 94.277 72.498 180.000 180.000 + 121.618 -76.036 101.742-122.856 + 119.228-110.734 118.996-125.589 + 118.739-114.524 112.419-113.200 + 119.258-106.247 115.258-117.097 + 119.970 0.000 137.963-120.539 + # 83 total E -7.97897E+01 rmsd from N 1.849 %NC 0.60 + 113.208 163.182 150.457-134.224 + 91.500 70.035 137.878 -87.011 + 90.847 59.065 176.454 173.469 + 89.319 49.825 144.682 -97.041 + 90.405 41.143 92.280 -58.158 + 90.758 53.145 151.492 93.674 + 90.539 41.838 144.765-149.198 + 92.269 64.205 133.530-135.867 + 91.435 -69.199 141.918-128.612 + 110.748 -57.902 180.000 180.000 + 109.456 -71.507 180.000 180.000 + 92.165 69.084 138.558-167.642 + 93.529 119.370 114.223 -76.016 + 126.095 -88.346 120.304 -84.923 + 94.931 72.050 180.000 180.000 + 122.815 -77.406 115.010-129.860 + 118.965-111.149 118.509-124.963 + 118.719-114.423 111.539-112.010 + 119.184-106.055 115.988-118.321 + 119.833 0.000 137.617-120.152 + # 84 total E -7.91566E+01 rmsd from N 1.850 %NC 0.40 + 114.918 162.213 147.816 -21.712 + 91.746 87.150 135.308 -21.359 + 90.785 52.894 135.212 53.522 + 89.095 45.129 144.623 -94.691 + 89.706 44.771 122.115-127.965 + 89.954 51.219 148.669 117.049 + 90.210 46.115 140.235 -50.121 + 91.670 66.602 133.591-138.330 + 91.567 -58.457 144.415-136.577 + 119.312 -78.501 180.000 180.000 + 121.656 -39.555 180.000 180.000 + 92.646 74.113 96.075 -90.508 + 93.217 127.638 112.922 -77.136 + 122.149 -89.563 113.998 -89.853 + 94.824 43.295 180.000 180.000 + 124.662 -93.236 94.082 -59.357 + 116.049-108.334 118.132-124.150 + 117.960-133.570 120.441-122.038 + 118.984-118.321 116.149-117.234 + 120.695 0.000 145.912-120.862 + # 85 total E -8.09176E+01 rmsd from N 1.860 %NC 0.73 + 113.427 163.644 151.078-131.740 + 91.482 68.770 139.473 -40.573 + 91.594 47.534 170.032 13.847 + 89.658 48.613 139.496 -89.371 + 89.379 43.502 115.823-126.473 + 90.046 55.280 142.918 -90.758 + 89.928 44.913 129.674 161.687 + 91.520 74.009 110.484-104.128 + 91.046 -60.285 137.160-129.476 + 108.697 -65.320 180.000 180.000 + 101.803 -28.585 180.000 180.000 + 92.448 101.452 101.363 -98.910 + 94.286 116.066 112.644 -77.701 + 94.240 -89.408 112.876 -75.798 + 94.953 61.006 180.000 180.000 + 135.297 -87.572 143.364 -46.359 + 119.682-107.544 110.694-112.775 + 115.500-140.729 114.601-117.265 + 115.366-135.022 124.674-133.102 + 120.903 0.000 151.289-143.553 + # 86 total E -8.24715E+01 rmsd from N 1.863 %NC 0.60 + 118.456 179.991 142.839 -6.997 + 91.061 73.114 138.960 -48.700 + 91.231 52.005 167.809 17.049 + 88.982 47.864 139.028 -89.644 + 89.047 44.244 114.810-127.445 + 90.126 49.939 148.324 9.356 + 90.328 44.998 133.847 160.123 + 91.616 74.634 134.252-132.286 + 90.963 -57.926 134.216-130.420 + 109.931 -69.481 180.000 180.000 + 103.167 -30.532 180.000 180.000 + 92.532 97.494 100.021 -93.574 + 94.983 116.781 112.114 -79.733 + 111.089 -91.845 130.035-173.385 + 95.397 53.071 180.000 180.000 + 126.049 -99.446 97.293 -57.600 + 115.792-107.322 121.798-129.564 + 118.072-136.374 115.438-115.493 + 116.924-119.731 119.066-123.541 + 121.993 0.000 121.819 -81.113 + # 87 total E -7.95079E+01 rmsd from N 1.868 %NC 0.60 + 113.175 163.161 150.736-139.233 + 91.516 66.834 126.504 -83.553 + 92.349 51.015 176.438-173.872 + 90.324 50.530 140.067 -89.938 + 89.565 43.756 115.963-128.389 + 90.375 54.697 124.764-110.303 + 89.656 44.351 132.434 178.386 + 91.515 70.339 130.688-135.235 + 90.980 -57.844 141.098-115.387 + 113.263 -71.930 180.000 180.000 + 105.450 -21.765 180.000 180.000 + 92.641 96.703 128.947-151.364 + 93.447 130.342 111.659 -77.533 + 96.940 -93.918 115.464-133.366 + 94.874 41.940 180.000 180.000 + 127.909 -86.983 115.401 -63.231 + 116.808-113.064 116.704-123.488 + 117.736-116.754 147.646-165.523 + 117.009-121.781 116.044-119.732 + 122.320 0.000 122.172 -81.357 + # 88 total E -7.97614E+01 rmsd from N 1.871 %NC 0.47 + 116.628 166.298 144.391 -13.105 + 91.334 83.484 140.483 -23.198 + 92.659 38.860 170.864 13.291 + 91.195 48.413 140.206 -85.631 + 90.757 40.113 115.131-127.008 + 90.549 53.219 148.900 94.172 + 90.404 42.206 138.449 171.577 + 91.674 64.884 135.113-132.913 + 91.905 -48.653 143.193-136.549 + 120.852 -75.398 180.000 180.000 + 125.528 -49.102 180.000 180.000 + 92.391 66.694 98.353 -96.179 + 92.938 129.442 113.364 -77.335 + 110.261 -87.461 128.979-141.125 + 94.812 62.871 180.000 180.000 + 130.396-103.326 87.606 -66.506 + 117.522-107.955 117.353-123.764 + 116.138-136.026 145.079-161.153 + 118.735-118.271 116.799-118.061 + 121.688 0.000 121.163 -80.980 + # 89 total E -7.28360E+01 rmsd from N 1.883 %NC 0.53 + 113.685 164.255 151.946-132.355 + 91.305 69.021 143.463-111.512 + 90.175 51.290 122.391 -39.693 + 89.827 50.409 144.877 -95.054 + 89.383 42.489 111.307 -59.127 + 89.924 55.826 122.651-122.144 + 90.144 39.041 150.297-169.710 + 92.185 64.436 129.049-133.730 + 92.310 -61.075 133.330 -92.523 + 111.288-159.163 180.000 180.000 + 145.410 -46.474 180.000 180.000 + 92.107 51.070 127.270-152.121 + 92.544 72.507 113.061 -76.431 + 128.226 -89.274 115.443 -82.773 + 96.833 64.867 180.000 180.000 + 133.561-133.170 97.179 -64.960 + 119.279-109.309 114.983-119.586 + 116.566-134.399 142.390-158.832 + 119.634-114.497 113.850-113.485 + 121.087 0.000 120.670 -80.000 + # 90 total E -8.19316E+01 rmsd from N 1.889 %NC 0.67 + 115.463 167.660 150.202 -14.356 + 91.744 81.736 137.731 -32.473 + 90.322 59.413 135.130 52.889 + 88.371 46.654 142.993 -96.262 + 89.200 46.182 119.329-125.811 + 90.679 46.971 140.345 22.974 + 90.681 44.275 138.144 -54.462 + 92.174 74.250 135.183-137.246 + 91.683 -68.012 136.785-116.555 + 119.564 -47.568 180.000 180.000 + 120.560 -62.291 180.000 180.000 + 94.017 57.016 91.296 -80.781 + 95.401 128.167 116.282 -76.754 + 112.467 -72.758 127.279 -79.569 + 94.451 55.138 180.000 180.000 + 120.548-105.127 128.025 -77.589 + 119.273-109.576 116.758-122.054 + 117.808-136.543 114.924-116.270 + 117.877-118.215 123.463-127.976 + 120.800 0.000 147.544-114.767 + # 91 total E -8.20721E+01 rmsd from N 1.897 %NC 0.67 + 115.823 169.679 112.804 -80.804 + 91.702 81.015 133.350 -25.967 + 92.510 42.274 173.934 17.713 + 90.475 46.087 141.384 -93.994 + 89.594 43.527 114.331-123.442 + 90.296 54.020 151.015 -5.480 + 90.003 43.288 132.571 164.690 + 91.224 73.735 106.861-102.345 + 90.936 -58.455 134.735-130.675 + 110.016 -69.192 180.000 180.000 + 104.252 -31.740 180.000 180.000 + 92.420 95.866 99.804 -94.333 + 94.734 120.102 110.692 -79.412 + 95.233 -91.605 124.477-174.719 + 94.991 58.421 180.000 180.000 + 130.481 -93.071 90.490-111.140 + 117.406-111.097 120.576-128.714 + 118.595-135.025 116.021-115.691 + 117.677-126.580 115.742-118.562 + 120.912 0.000 148.429-134.645 + # 92 total E -8.20610E+01 rmsd from N 1.905 %NC 0.53 + 118.239 179.720 142.767 -6.949 + 91.049 73.176 138.956 -48.154 + 91.252 51.266 168.306 16.476 + 89.054 47.836 139.349 -89.561 + 89.040 44.216 114.671-127.557 + 90.060 50.117 149.278 12.127 + 90.326 45.163 133.563 161.006 + 91.663 75.347 134.235-132.000 + 90.793 -58.500 133.266-133.341 + 108.944 -68.036 180.000 180.000 + 101.596 -27.173 180.000 180.000 + 92.856 101.756 97.475 -87.916 + 95.853 117.258 113.327 -77.575 + 108.728 -92.903 139.052 -19.881 + 95.033 52.412 180.000 180.000 + 126.010 -96.341 93.891 -59.516 + 115.773-107.043 122.038-129.930 + 118.343-136.287 114.528-114.131 + 116.351-121.091 118.507-123.580 + 122.142 0.000 122.136 -81.228 + # 93 total E -8.25648E+01 rmsd from N 1.907 %NC 0.67 + 113.201 163.754 150.910-142.984 + 91.488 66.050 128.373 -60.798 + 91.776 52.870 176.436 177.728 + 89.406 46.739 142.819 -95.415 + 89.297 48.796 114.589-124.399 + 90.123 56.415 139.316-103.497 + 89.659 42.472 139.452-158.507 + 91.632 67.780 109.074-109.684 + 91.153 -72.849 136.133-112.879 + 107.192 -61.123 180.000 180.000 + 117.735 -67.543 180.000 180.000 + 92.088 76.574 138.818-167.676 + 92.178 92.374 113.919 -76.869 + 92.084 -85.493 117.531-137.925 + 95.310 165.038 180.000 180.000 + 129.356 -93.922 152.702-148.856 + 118.649-110.775 112.649-118.459 + 119.885-141.439 112.033-111.489 + 115.992-118.546 135.409-148.119 + 121.715 0.000 121.574 -80.740 + # 94 total E -8.22431E+01 rmsd from N 1.925 %NC 0.67 + 113.294 163.089 150.886-130.728 + 91.622 73.368 140.648 -37.827 + 90.657 62.197 135.560 48.730 + 88.636 47.713 141.574 -97.795 + 89.256 46.284 117.658-122.178 + 90.831 47.123 145.723 16.930 + 90.826 43.607 138.195 -53.842 + 92.450 74.543 134.459-136.849 + 91.949 -70.986 136.060-114.840 + 116.529 -44.353 180.000 180.000 + 124.795 -57.351 180.000 180.000 + 93.754 64.483 92.167 -82.892 + 94.759 134.977 115.690 -77.345 + 107.425 -76.660 133.673-165.707 + 94.464 51.888 180.000 180.000 + 121.307 -99.927 104.981 -55.813 + 117.622-107.789 118.758-124.399 + 118.231-135.440 113.586-114.530 + 118.219-118.683 120.458-124.029 + 120.661 0.000 146.877-117.857 + # 95 total E -8.27562E+01 rmsd from N 1.930 %NC 0.53 + 119.580-105.632 142.338 -22.777 + 91.471 83.126 127.464 -36.648 + 92.249 43.753 97.559 -80.202 + 91.206 41.784 148.984 -98.144 + 90.313 44.415 116.894-112.901 + 91.214 49.303 162.615 29.403 + 90.701 44.427 132.012-154.658 + 92.021 72.253 133.872-131.187 + 90.678 -66.189 128.915-137.464 + 105.763 -67.082 180.000 180.000 + 99.803 -29.461 180.000 180.000 + 93.017 102.926 102.663 -94.331 + 95.657 102.571 113.613 -77.777 + 119.722 -92.585 126.168 -72.312 + 96.112 66.682 180.000 180.000 + 130.578-104.897 112.724 -96.945 + 119.926-114.324 116.082-120.989 + 117.754-114.672 122.462-125.503 + 118.909-118.241 112.365-111.764 + 121.856 0.000 121.386 -80.983 + # 96 total E -7.68806E+01 rmsd from N 1.956 %NC 0.67 + 113.916 164.777 152.376-126.459 + 91.189 70.665 149.618-101.822 + 89.726 47.034 118.268 -41.151 + 89.687 48.844 144.115 -98.379 + 89.244 44.515 122.506-125.927 + 90.382 53.201 137.370 22.226 + 90.205 37.695 146.028-153.577 + 91.991 61.769 128.909-134.836 + 92.182 -70.052 133.354-111.661 + 117.604-170.332 180.000 180.000 + 130.395 -42.344 180.000 180.000 + 91.010 65.939 100.593-101.651 + 91.181 28.031 111.939 -76.952 + 95.119-123.548 114.432 -73.287 + 95.388 157.359 180.000 180.000 + 127.468 -82.923 149.870 -44.255 + 119.366-113.132 115.077-120.133 + 118.860-115.560 113.531-114.782 + 119.378-109.136 112.207-111.682 + 121.124 0.000 119.038 -80.971 + # 97 total E -8.22619E+01 rmsd from N 1.964 %NC 0.60 + 113.624 165.531 150.364-115.313 + 91.227 72.299 124.303 -17.852 + 92.815 40.772 175.114 173.328 + 90.898 46.741 138.791 -96.186 + 90.051 42.255 113.225-125.464 + 91.114 48.586 149.278 0.398 + 90.818 41.985 133.428-179.794 + 92.147 71.973 135.046-132.107 + 91.612 -65.185 134.223-118.732 + 115.220 -45.695 180.000 180.000 + 125.420 -58.251 180.000 180.000 + 93.440 64.148 95.132 -90.357 + 94.416 139.984 114.942 -77.487 + 94.453 -73.168 129.043-172.739 + 94.615 52.297 180.000 180.000 + 124.751-105.379 101.583-101.346 + 118.100-113.178 120.091-127.694 + 119.038-135.346 113.138-112.388 + 116.944-123.482 119.310-123.260 + 122.469 0.000 122.698 -81.478 + # 98 total E -8.14603E+01 rmsd from N 1.966 %NC 0.53 + 116.211 176.706 115.995 -83.104 + 91.640 87.134 138.141 -34.944 + 91.102 48.272 89.906 -78.277 + 89.883 51.376 145.350 -99.851 + 88.987 44.612 124.404-128.190 + 89.673 61.766 156.448-105.862 + 89.864 39.431 141.370 -45.325 + 92.003 70.439 104.212-111.412 + 90.895 -66.614 134.317-124.223 + 105.108 -63.174 180.000 180.000 + 99.300 -30.495 180.000 180.000 + 92.780 104.688 100.394 -92.832 + 93.921 124.073 113.938 -77.251 + 94.570 -85.135 113.530 -78.239 + 94.929 69.395 180.000 180.000 + 135.570 -73.959 131.352 -59.486 + 118.157-103.190 122.900-130.554 + 119.216-132.516 110.738-110.548 + 118.804-118.327 115.819-118.724 + 120.678 0.000 145.850-120.888 + # 99 total E -7.95975E+01 rmsd from N 1.980 %NC 0.53 + 116.558 168.043 144.968 -12.234 + 91.430 83.738 137.333 -24.421 + 91.575 51.344 175.794 164.246 + 88.949 43.907 141.191 -94.759 + 89.463 48.089 115.088-127.723 + 89.343 61.934 160.087 112.595 + 89.719 38.869 140.085 -51.618 + 92.064 64.615 133.140-139.281 + 91.871 -68.713 144.481 -29.651 + 110.821 -54.197 180.000 180.000 + 113.450 -66.490 180.000 180.000 + 92.227 78.050 107.119-101.356 + 91.779 124.804 113.389 -77.702 + 92.954 -61.368 120.936-154.485 + 95.369 73.465 180.000 180.000 + 132.818-100.015 99.622 -57.023 + 118.365-106.757 121.906-129.092 + 118.880-135.903 108.415-107.229 + 118.229-118.960 119.114-123.872 + 121.852 0.000 121.512 -80.996 + # 100 total E -7.56512E+01 rmsd from N 1.993 %NC 0.73 + 112.729 162.192 149.318-136.412 + 91.601 69.928 133.740 -82.447 + 91.148 65.266 176.445 161.792 + 88.854 43.546 141.045 -89.929 + 89.380 45.209 109.185-115.926 + 89.870 57.043 129.542 -23.622 + 90.125 38.366 149.641-175.464 + 91.991 63.709 126.451-132.924 + 92.563 -66.229 134.137-119.766 + 110.286-167.907 180.000 180.000 + 150.499 -42.148 180.000 180.000 + 90.504 52.952 129.899-157.917 + 90.460 51.012 112.422 -76.216 + 92.783-107.297 119.466-104.516 + 96.466 152.127 180.000 180.000 + 125.092-104.614 148.543 175.897 + 119.375-110.859 116.657-122.133 + 117.752-136.379 113.660-115.534 + 119.623-111.579 115.291-115.603 + 121.217 0.000 119.667 -80.816 + # 101 total E -8.47471E+01 rmsd from N 2.007 %NC 0.67 + 118.267-156.898 114.866 -82.123 + 91.792 86.137 135.914 -27.457 + 91.548 45.796 124.116 101.188 + 90.977 42.308 149.166 -91.586 + 90.547 42.615 118.454-118.652 + 90.817 51.397 160.686 33.824 + 90.387 45.736 139.470 -52.276 + 91.904 73.743 135.349-135.156 + 90.184 -66.269 131.889-134.714 + 103.666 -66.247 180.000 180.000 + 96.360 -30.744 180.000 180.000 + 92.678 105.794 106.636 -93.343 + 95.205 109.548 121.653-113.938 + 119.211 -87.476 124.140 -77.711 + 95.603 69.765 180.000 180.000 + 127.593 -88.036 112.496-101.464 + 118.389-110.398 120.206-127.939 + 118.379-136.461 111.049-110.926 + 117.984-118.741 122.222-127.260 + 120.743 0.000 147.237-116.146 + # 102 total E -8.08679E+01 rmsd from N 2.016 %NC 0.67 + 113.635 164.247 151.412-124.641 + 91.551 72.325 137.635 -29.995 + 91.774 46.831 176.433 179.572 + 89.913 47.894 139.288 -99.197 + 89.543 44.399 115.378-126.689 + 90.323 57.274 159.827 -85.190 + 90.209 43.589 138.642-176.640 + 92.051 71.549 107.734-108.374 + 91.612 -66.285 89.968 -70.464 + 103.684 -61.126 180.000 180.000 + 101.508 -29.591 180.000 180.000 + 92.750 105.679 101.125 -95.514 + 93.670 124.556 112.419 -77.417 + 94.254 -82.927 111.826 -77.192 + 94.982 70.658 180.000 180.000 + 135.613 -76.850 131.373 -53.353 + 118.312-103.762 121.758-128.492 + 118.689-136.977 108.347-108.121 + 117.969-122.407 120.492-126.916 + 121.966 0.000 122.502 -80.980 + # 103 total E -8.55386E+01 rmsd from N 2.025 %NC 0.60 + 113.674 160.652 151.752 -26.283 + 91.888 83.317 137.210 -26.505 + 91.485 45.882 124.528 104.243 + 90.975 41.793 148.200 -92.700 + 90.532 43.026 118.171-117.469 + 90.786 51.538 162.212 32.424 + 90.355 45.390 139.524 -51.727 + 91.858 72.992 134.196-135.730 + 90.338 -67.095 131.949-133.416 + 104.319 -65.093 180.000 180.000 + 98.518 -33.158 180.000 180.000 + 92.881 102.997 105.798 -87.651 + 95.239 112.167 112.439 -77.725 + 118.441 -86.038 124.115 -76.964 + 95.510 69.592 180.000 180.000 + 127.101 -87.888 112.716-101.608 + 118.466-110.294 120.198-127.983 + 118.381-136.506 111.002-110.810 + 117.921-118.574 122.139-127.079 + 120.736 0.000 147.376-115.946 + # 104 total E -8.24953E+01 rmsd from N 2.030 %NC 0.47 + 112.172 156.546 150.702 -40.182 + 92.075 85.550 132.322 -21.257 + 91.811 43.917 102.540 -84.477 + 91.045 43.209 146.388 -94.616 + 91.162 40.041 119.111-120.127 + 91.723 48.349 139.490 81.272 + 91.161 46.123 130.159-168.133 + 92.237 73.547 140.020-132.314 + 91.843 -52.528 144.242-147.231 + 118.265 -55.332 180.000 180.000 + 120.536 -62.554 180.000 180.000 + 92.793 65.413 102.579 -98.281 + 92.746 130.563 132.136-130.042 + 94.538 -72.787 118.240-149.935 + 94.338 65.837 180.000 180.000 + 128.911 -93.774 97.620 -60.135 + 117.182-107.424 119.616-126.557 + 118.231-136.446 111.744-111.496 + 117.816-118.969 123.518-130.467 + 122.091 0.000 121.705 -81.075 + # 105 total E -7.66320E+01 rmsd from N 2.036 %NC 0.67 + 113.796 164.192 152.192-132.272 + 91.291 70.268 145.579-109.363 + 89.494 53.557 118.337 -42.858 + 88.932 48.883 145.771 -99.511 + 89.273 47.180 114.320 -60.944 + 90.638 51.780 143.968 36.433 + 90.456 37.707 147.028-110.929 + 92.484 58.614 128.405-136.377 + 92.958 -79.717 134.627-102.305 + 119.073-168.817 180.000 180.000 + 124.712 -33.671 180.000 180.000 + 91.094 68.177 100.233 -98.601 + 91.330 22.975 111.222 -76.793 + 96.603-126.053 114.886 -71.795 + 95.153 157.501 180.000 180.000 + 129.015 -84.913 152.544 -65.971 + 119.815-111.929 116.165-121.770 + 118.692-116.618 113.518-114.893 + 119.452-115.180 111.038-110.145 + 120.557 0.000 144.294-118.645 + # 106 total E -8.12644E+01 rmsd from N 2.038 %NC 0.53 + 115.929 170.879 156.086-117.531 + 91.185 74.487 137.138 -25.862 + 90.182 49.780 92.970 -79.103 + 89.716 43.563 144.697-104.355 + 89.746 44.401 121.230-118.478 + 91.196 50.106 176.502-173.907 + 90.711 42.097 141.178-133.698 + 92.519 69.790 130.095-134.739 + 90.973 -70.280 132.674-122.021 + 104.041 -61.284 180.000 180.000 + 98.170 -31.205 180.000 180.000 + 92.948 105.081 101.351 -89.255 + 93.967 127.580 114.356 -77.024 + 96.799 -84.309 114.159 -80.248 + 94.937 72.339 180.000 180.000 + 132.819 -74.199 113.342 -93.263 + 117.778-103.653 123.163-132.163 + 119.172-134.027 108.283-107.403 + 118.490-118.759 117.989-123.344 + 120.713 0.000 146.435-119.217 + # 107 total E -7.98278E+01 rmsd from N 2.040 %NC 0.60 + 115.061 162.206 149.172 -20.153 + 91.719 84.689 135.376 -20.189 + 91.507 42.192 130.869 113.350 + 90.880 45.836 144.218 -93.000 + 90.061 41.857 119.808-125.602 + 90.560 52.284 141.566 -4.370 + 90.322 43.044 153.812 -34.887 + 91.458 71.190 133.555-137.336 + 91.239 -57.759 134.561-119.311 + 107.290-167.944 180.000 180.000 + 143.651 -41.651 180.000 180.000 + 90.679 54.805 100.673-110.705 + 90.786 53.519 112.592 -77.179 + 94.659-121.138 107.848 -77.653 + 96.613 162.935 180.000 180.000 + 127.454-101.604 138.716 -82.615 + 120.365-109.909 118.745-124.996 + 118.736-134.288 110.199-111.280 + 119.280-118.425 114.274-113.795 + 120.729 0.000 145.725-123.300 + # 108 total E -8.62882E+01 rmsd from N 2.046 %NC 0.60 + 113.971 161.535 151.707 -25.338 + 91.838 82.661 136.823 -27.922 + 91.468 46.546 125.563 106.707 + 90.839 41.502 149.368 -93.027 + 90.330 45.771 118.196-116.374 + 90.658 51.464 163.570 34.576 + 90.339 46.223 145.921-124.432 + 91.718 71.026 132.319-133.742 + 90.653 -68.080 131.048-132.405 + 104.964 -64.450 180.000 180.000 + 98.955 -33.806 180.000 180.000 + 92.750 102.867 107.373 -88.574 + 95.165 112.896 111.614 -78.013 + 119.012 -85.506 124.012 -77.817 + 95.493 69.734 180.000 180.000 + 127.084 -87.544 112.634-101.990 + 118.452-110.155 120.095-127.775 + 118.305-136.470 110.807-110.737 + 117.777-118.953 123.125-128.809 + 121.801 0.000 121.578 -81.085 + # 109 total E -8.15443E+01 rmsd from N 2.052 %NC 0.53 + 115.857 173.527 115.384 -83.167 + 91.513 84.377 136.800 -43.170 + 91.199 47.975 88.486 -79.203 + 90.022 52.387 145.725 -99.475 + 89.019 43.689 124.128-126.197 + 89.819 61.084 152.826-112.566 + 89.817 39.798 141.372 -44.554 + 91.902 70.867 105.243-110.647 + 90.732 -65.340 133.856-127.466 + 105.107 -65.387 180.000 180.000 + 96.686 -28.217 180.000 180.000 + 92.567 107.451 102.398 -94.401 + 94.018 117.064 124.125-117.491 + 109.697 -88.634 116.565 -81.363 + 95.113 68.014 180.000 180.000 + 131.077 -79.235 112.938-102.477 + 117.673-104.254 123.877-132.897 + 118.868-134.242 112.058-111.736 + 118.613-118.568 117.405-120.450 + 121.894 0.000 121.464 -81.008 + # 110 total E -7.96854E+01 rmsd from N 2.057 %NC 0.60 + 113.605 164.096 151.342-126.923 + 91.448 71.294 141.940 -34.062 + 91.019 46.859 171.348 13.308 + 89.303 49.456 140.244 -97.285 + 89.002 46.868 117.278-129.270 + 89.406 57.466 158.825-111.549 + 89.936 43.777 140.694 -45.934 + 92.107 73.204 109.724-113.753 + 91.059 -66.559 89.320 -72.438 + 102.298 -62.702 180.000 180.000 + 100.194 -27.767 180.000 180.000 + 93.189 106.620 101.081 -94.095 + 94.033 121.022 114.465 -76.893 + 107.084 -88.743 113.928 -78.019 + 95.113 64.635 180.000 180.000 + 130.102 -78.624 138.128 -46.003 + 117.903-106.445 120.431-126.808 + 119.476-138.824 110.721-110.060 + 117.805-120.106 120.165-125.814 + 121.022 0.000 149.397-112.618 + # 111 total E -8.19773E+01 rmsd from N 2.068 %NC 0.73 + 114.565 160.260 147.130 -25.346 + 91.639 87.282 135.752 -14.774 + 91.022 44.138 134.152 108.781 + 90.658 45.615 147.429 -93.680 + 90.181 41.606 122.213-129.101 + 90.804 54.982 138.311 -4.313 + 90.533 36.670 141.747 -49.905 + 92.381 65.347 130.132-135.229 + 92.279 -71.122 131.090-124.101 + 108.532-170.172 180.000 180.000 + 146.794 -56.829 180.000 180.000 + 90.490 53.261 133.096-163.343 + 90.581 52.589 112.607 -76.386 + 92.762-106.642 108.853 -77.915 + 96.197 140.454 180.000 180.000 + 123.674 -91.805 140.359 -53.038 + 119.593-114.322 115.737-120.899 + 118.450-134.546 111.722-112.965 + 118.915-118.565 115.586-115.726 + 120.775 0.000 145.659-122.378 + # 112 total E -8.14852E+01 rmsd from N 2.073 %NC 0.67 + 117.365 173.713 144.252 -8.993 + 91.178 77.402 139.811 -37.330 + 91.765 43.677 171.492 12.720 + 89.883 50.897 143.124 -93.834 + 89.271 44.863 117.647-129.306 + 89.749 58.618 154.748 -92.020 + 89.907 39.662 142.722-173.436 + 91.896 70.802 105.740-106.726 + 91.058 -64.451 135.183-124.608 + 106.109 -63.884 180.000 180.000 + 100.239 -30.531 180.000 180.000 + 92.686 104.539 100.118 -96.005 + 94.017 123.162 113.186 -77.389 + 94.110 -83.583 114.481 -76.649 + 95.132 69.464 180.000 180.000 + 135.480 -76.717 133.808 -50.837 + 118.002-103.844 122.400-129.283 + 119.248-139.804 108.753-108.223 + 117.439-120.846 121.182-127.838 + 121.084 0.000 149.681-111.839 + # 113 total E -8.81325E+01 rmsd from N 2.077 %NC 0.47 + 114.357 172.026 150.423-103.325 + 91.052 74.743 127.397 -16.671 + 90.931 45.198 93.293 -84.973 + 90.498 43.627 146.523 -97.485 + 90.293 43.699 117.274-122.575 + 91.124 47.936 155.397 31.790 + 90.762 44.634 131.179-155.271 + 92.004 71.092 136.125-133.220 + 90.876 -66.220 135.120-122.327 + 110.078 -67.312 180.000 180.000 + 112.623 -55.525 180.000 180.000 + 92.486 76.953 139.789-168.963 + 92.679 107.865 112.928 -76.389 + 123.879 -87.347 117.288 -84.794 + 94.733 74.104 180.000 180.000 + 127.105 -73.197 140.039 -63.709 + 119.738-111.225 107.646-110.170 + 119.064-137.974 111.853-112.948 + 117.504-118.354 125.179-132.203 + 120.882 0.000 147.759-112.424 + # 114 total E -8.05322E+01 rmsd from N 2.079 %NC 0.67 + 113.851 164.586 152.150-129.230 + 91.433 68.769 138.081 -38.174 + 91.632 44.278 171.741 12.724 + 90.085 49.494 140.870 -94.853 + 89.357 45.290 116.745-127.349 + 89.975 56.878 156.576 -95.061 + 90.254 43.251 143.906-173.031 + 92.158 72.198 108.649-108.719 + 91.631 -65.230 88.049 -71.742 + 103.535 -62.352 180.000 180.000 + 99.642 -27.612 180.000 180.000 + 92.769 107.121 101.975 -97.765 + 93.701 119.332 120.949-114.469 + 96.352 -87.504 113.672 -78.577 + 95.325 72.697 180.000 180.000 + 133.543 -78.443 116.171-100.829 + 117.955-106.047 121.361-129.600 + 119.770-140.077 108.583-107.420 + 117.763-120.441 120.341-126.467 + 121.032 0.000 149.223-111.708 + # 115 total E -8.84318E+01 rmsd from N 2.079 %NC 0.67 + 112.374 156.824 150.151 -39.910 + 92.002 83.994 132.500 -20.586 + 91.382 42.847 102.075 -84.452 + 90.540 45.039 150.351 -94.181 + 90.368 43.378 117.938-125.920 + 90.874 48.912 150.945 40.592 + 90.432 43.427 130.000-154.027 + 91.803 70.881 136.904-138.001 + 90.934 -66.340 141.115 -41.064 + 110.756 -68.490 180.000 180.000 + 113.084 -60.913 180.000 180.000 + 92.474 71.208 139.613-169.219 + 92.574 105.522 113.236 -76.204 + 128.728 -86.222 116.956 -87.037 + 95.005 72.837 180.000 180.000 + 123.990 -76.399 140.555 -55.361 + 119.829-112.458 108.967-111.464 + 119.571-137.402 112.178-112.946 + 117.675-118.468 124.153-130.000 + 120.829 0.000 147.645-113.764 + # 116 total E -8.81302E+01 rmsd from N 2.082 %NC 0.47 + 114.174 172.057 150.419-103.089 + 91.025 74.738 127.555 -16.961 + 90.920 45.155 93.390 -84.782 + 90.515 43.625 146.638 -97.474 + 90.301 43.661 117.226-122.720 + 91.112 47.954 155.958 31.387 + 90.750 44.933 131.145-155.443 + 91.980 71.308 136.328-133.206 + 90.840 -66.465 135.742-120.658 + 109.668 -66.876 180.000 180.000 + 112.389 -54.612 180.000 180.000 + 92.517 78.186 140.043-169.204 + 92.745 107.999 114.117 -76.235 + 123.672 -87.792 117.537 -84.442 + 94.728 74.352 180.000 180.000 + 127.211 -73.028 139.715 -65.536 + 119.726-110.996 107.707-110.297 + 119.071-137.865 111.754-112.797 + 117.510-118.201 125.370-132.526 + 120.816 0.000 147.773-112.499 + # 117 total E -8.88499E+01 rmsd from N 2.096 %NC 0.60 + 112.177 157.492 151.434 -40.446 + 92.009 82.646 130.929 -24.886 + 91.792 42.347 101.482 -83.290 + 90.995 44.812 150.426 -95.183 + 90.404 42.672 117.897-121.565 + 91.220 48.458 155.368 34.787 + 90.846 43.958 131.291-152.114 + 92.082 71.612 137.861-133.244 + 90.868 -65.535 135.094-125.940 + 109.792 -67.137 180.000 180.000 + 112.137 -56.699 180.000 180.000 + 92.495 76.273 139.731-168.993 + 92.726 108.255 112.900 -76.325 + 123.949 -86.778 117.704 -84.662 + 94.782 73.463 180.000 180.000 + 126.664 -74.225 139.707 -62.712 + 119.645-111.381 108.952-111.835 + 119.495-137.558 111.922-112.637 + 117.634-118.231 123.953-130.123 + 121.818 0.000 121.282 -80.951 + # 118 total E -7.90567E+01 rmsd from N 2.115 %NC 0.60 + 115.646 164.481 146.771 -16.215 + 91.580 85.772 139.068 -21.075 + 92.712 40.374 176.442 178.943 + 90.556 48.221 141.340 -97.390 + 89.839 43.803 115.491-129.291 + 90.277 49.241 162.966 29.954 + 90.567 42.477 141.071 -46.361 + 92.494 71.678 134.568-140.365 + 90.839 -63.877 162.753 -24.543 + 106.431 -71.402 180.000 180.000 + 98.247 -32.085 180.000 180.000 + 92.462 103.145 107.121-100.028 + 93.605 113.437 117.939-113.252 + 114.450 -94.287 114.580-146.368 + 94.342 70.799 180.000 180.000 + 129.412 -74.613 102.454-109.050 + 117.650-104.223 120.232-128.491 + 118.515-137.671 110.921-110.679 + 118.449-119.432 121.455-127.782 + 120.989 0.000 149.342-106.721 + # 119 total E -8.06345E+01 rmsd from N 2.120 %NC 0.60 + 116.433 167.042 145.431 -12.573 + 91.482 83.686 133.905 -20.983 + 92.951 38.685 176.441 179.192 + 91.494 49.208 140.700 -96.074 + 90.426 40.827 114.293-127.824 + 91.067 48.946 157.508 31.055 + 90.796 45.741 131.194-174.820 + 92.074 76.546 137.964-128.905 + 90.097 -63.507 134.255-133.721 + 103.537 -66.936 180.000 180.000 + 98.169 -31.225 180.000 180.000 + 92.838 103.498 106.308-101.421 + 93.558 113.434 115.062 -78.511 + 110.389 -91.378 118.704-144.940 + 94.666 68.824 180.000 180.000 + 132.186 -71.378 142.934 161.944 + 117.459-105.337 119.505-127.477 + 119.552-136.992 110.761-110.255 + 118.976-118.719 117.660-122.165 + 120.849 0.000 148.404-109.090 + # 120 total E -8.82952E+01 rmsd from N 2.129 %NC 0.67 + 112.465 157.121 150.035 -38.113 + 92.014 83.994 134.044 -21.633 + 91.565 42.221 102.955 -83.524 + 90.611 45.187 150.468 -94.660 + 90.419 43.183 118.017-125.263 + 90.964 48.842 154.169 40.733 + 90.426 43.225 129.985-152.936 + 91.785 72.067 137.019-137.404 + 90.823 -68.351 137.302 -48.566 + 109.492 -63.877 180.000 180.000 + 113.733 -58.342 180.000 180.000 + 92.650 73.460 139.973-168.952 + 92.444 111.513 113.481 -76.442 + 123.154 -88.573 120.981-123.133 + 94.414 72.609 180.000 180.000 + 124.260 -73.927 135.737 -70.365 + 119.876-111.855 108.944-111.796 + 119.559-137.121 112.172-112.891 + 117.783-117.800 123.302-129.232 + 121.731 0.000 121.373 -80.921 + # 121 total E -8.33577E+01 rmsd from N 2.129 %NC 0.60 + 116.911 168.950 144.650 -10.580 + 91.377 82.192 131.420 -22.492 + 92.993 39.314 176.432 176.979 + 91.483 47.777 140.651 -96.158 + 90.304 42.135 113.328-125.849 + 90.955 48.754 155.350 29.199 + 90.937 51.815 131.377-176.026 + 92.274 76.902 128.121-108.812 + 91.064 -66.571 85.482 -73.064 + 100.367 -62.219 180.000 180.000 + 99.672 -30.017 180.000 180.000 + 93.143 106.989 106.473 -97.012 + 94.316 107.610 113.580 -77.403 + 112.357 -91.467 117.364 -75.190 + 94.965 75.715 180.000 180.000 + 131.983 -73.995 119.804 -94.245 + 118.168-105.900 117.529-124.627 + 119.012-139.354 111.322-111.272 + 119.332-116.243 119.588-123.991 + 120.783 0.000 147.758-104.115 + # 122 total E -8.61363E+01 rmsd from N 2.142 %NC 0.67 + 116.356 176.668 113.658 -80.257 + 91.701 83.921 132.617 -17.437 + 92.830 37.021 176.423-179.253 + 91.442 51.709 141.758 -96.321 + 90.453 41.581 116.125-130.535 + 91.004 49.648 151.988 36.217 + 90.437 42.090 133.773-161.456 + 91.882 71.514 136.647-136.559 + 90.910 -65.939 140.787 -45.203 + 111.075 -70.889 180.000 180.000 + 112.736 -58.620 180.000 180.000 + 92.526 72.686 139.582-168.768 + 92.717 104.888 113.104 -76.486 + 128.571 -87.180 117.401 -87.302 + 95.101 72.979 180.000 180.000 + 124.769 -74.755 140.747 -58.097 + 119.547-111.273 108.554-111.259 + 119.741-142.205 112.005-112.639 + 118.823-105.470 125.112-131.004 + 120.404 0.000 118.838 -79.996 + # 123 total E -8.16648E+01 rmsd from N 2.145 %NC 0.60 + 115.994 171.755 113.207 -80.798 + 91.749 82.801 134.842 -22.854 + 92.612 40.675 176.431 178.160 + 90.665 48.010 140.413 -96.357 + 89.927 43.460 114.736-127.988 + 90.288 49.801 161.100 34.861 + 90.508 44.498 141.749 -44.590 + 92.181 74.620 134.662-135.400 + 90.208 -66.162 133.596-133.337 + 103.988 -66.649 180.000 180.000 + 98.183 -31.428 180.000 180.000 + 92.901 103.170 106.736 -97.422 + 93.691 113.479 114.454 -78.373 + 113.151 -92.560 120.262-142.927 + 94.522 71.455 180.000 180.000 + 130.210 -73.497 111.372-101.055 + 117.862-105.069 119.138-126.814 + 119.058-137.212 110.855-110.439 + 118.211-119.195 121.074-127.157 + 121.808 0.000 121.864 -80.697 + # 124 total E -8.15113E+01 rmsd from N 2.146 %NC 0.67 + 113.015 162.735 149.555-122.846 + 91.679 74.294 139.376 -27.828 + 91.201 56.516 176.429 169.742 + 89.188 42.916 140.900 -96.872 + 89.200 49.342 109.956 -37.678 + 89.667 59.892 144.381 -84.589 + 89.975 42.503 138.925 176.256 + 91.983 57.254 106.441-108.720 + 93.157 -67.508 117.320 -79.987 + 119.311 -50.284 180.000 180.000 + 120.163 -59.982 180.000 180.000 + 92.167 79.961 105.464 -91.144 + 92.026 136.485 113.250 -77.099 + 93.126 -67.589 119.889-150.118 + 94.868 67.488 180.000 180.000 + 132.607 -84.833 124.485 -44.921 + 118.542-101.242 125.454-132.493 + 116.529-138.584 108.627-109.313 + 117.589-118.571 125.269-134.786 + 121.602 0.000 121.886 -80.823 + # 125 total E -8.18337E+01 rmsd from N 2.146 %NC 0.60 + 116.467 167.807 145.516 -11.481 + 91.446 82.934 134.446 -23.309 + 92.646 40.691 176.434 177.065 + 90.633 47.993 140.893 -96.642 + 89.928 43.474 114.638-127.931 + 90.289 49.902 161.344 34.968 + 90.491 44.444 141.518 -45.182 + 92.160 74.526 134.619-135.352 + 90.166 -66.335 133.536-133.588 + 103.990 -66.636 180.000 180.000 + 98.088 -31.190 180.000 180.000 + 92.937 103.376 106.803 -97.146 + 93.672 113.408 114.776 -78.275 + 113.113 -92.861 120.334-143.316 + 94.511 71.679 180.000 180.000 + 130.062 -73.460 111.312-101.024 + 117.865-105.011 119.121-126.921 + 118.988-137.110 110.946-110.573 + 118.321-118.963 120.923-126.935 + 121.752 0.000 121.727 -80.728 + # 126 total E -7.13213E+01 rmsd from N 2.152 %NC 0.60 + 113.388 163.299 150.278-127.245 + 91.398 70.423 149.456 -38.310 + 90.139 54.481 164.887 17.375 + 88.310 48.120 143.760 -90.167 + 88.672 50.286 108.203 -36.962 + 89.270 50.949 135.047-110.150 + 89.783 44.023 145.988-151.997 + 92.194 63.030 128.671-133.149 + 92.113 -67.521 114.094 -73.820 + 115.965-168.699 180.000 180.000 + 124.148 -34.795 180.000 180.000 + 90.833 63.981 100.852-100.760 + 90.951 28.496 111.893 -76.777 + 95.148-135.702 128.314 -54.674 + 95.666 156.030 180.000 180.000 + 128.727-100.481 150.388 -86.381 + 119.412-110.020 117.682-124.559 + 119.904-140.224 108.486-107.229 + 114.802-142.605 121.781-128.594 + 120.333 0.000 150.699-161.135 + # 127 total E -8.06390E+01 rmsd from N 2.176 %NC 0.67 + 113.783 164.012 152.331-131.988 + 91.412 67.958 139.558 -41.697 + 91.551 45.425 170.551 12.407 + 89.943 49.304 141.498 -94.220 + 89.288 45.711 116.925-126.841 + 89.914 56.859 153.495-103.264 + 90.100 43.612 145.948-169.086 + 92.043 72.035 109.759-109.868 + 91.515 -64.981 87.890 -72.019 + 103.941 -63.664 180.000 180.000 + 99.127 -26.192 180.000 180.000 + 92.822 108.643 103.082 -97.293 + 93.937 116.519 123.213-117.443 + 110.453 -89.489 114.688 -78.018 + 95.215 67.353 180.000 180.000 + 130.140 -80.739 114.468-102.511 + 117.774-106.821 120.582-128.448 + 119.339-141.522 110.809-109.978 + 117.497-119.871 122.405-128.932 + 121.087 0.000 149.633-108.697 + # 128 total E -8.03885E+01 rmsd from N 2.192 %NC 0.67 + 116.030 166.022 146.588 -15.216 + 91.541 82.791 138.938 -22.025 + 92.806 36.628 171.067 14.225 + 91.490 49.603 142.392 -91.935 + 90.232 41.606 114.791-127.266 + 90.640 49.135 158.301 32.207 + 90.758 44.953 132.001 179.986 + 92.164 76.725 138.085-129.217 + 90.200 -62.203 134.354-134.275 + 103.530 -67.631 180.000 180.000 + 96.222 -28.951 180.000 180.000 + 92.606 106.135 106.642-105.018 + 93.575 111.652 120.914-120.133 + 110.742 -93.000 115.211-148.866 + 94.745 68.430 180.000 180.000 + 132.432 -70.709 144.014 161.317 + 117.119-105.498 119.527-127.812 + 119.776-138.806 110.309-109.526 + 118.873-118.945 118.220-123.210 + 120.913 0.000 148.564-109.527 + # 129 total E -8.37654E+01 rmsd from N 2.209 %NC 0.60 + 116.347 167.558 145.847 -12.768 + 91.479 81.665 137.575 -23.278 + 92.821 36.750 171.522 15.369 + 91.563 48.981 142.362 -92.582 + 90.172 41.732 114.279-126.101 + 90.646 49.224 157.147 26.888 + 90.664 45.122 131.848 178.500 + 92.037 76.546 137.747-130.046 + 90.163 -63.112 134.051-134.224 + 103.982 -66.875 180.000 180.000 + 98.380 -31.809 180.000 180.000 + 92.760 103.197 108.602-105.388 + 93.690 111.867 114.313 -78.345 + 111.715 -93.297 119.742-143.137 + 94.556 71.390 180.000 180.000 + 130.496 -72.259 112.253-101.656 + 117.690-104.945 118.352-125.933 + 119.324-140.839 110.835-110.468 + 119.244-117.634 119.648-124.915 + 120.737 0.000 148.070-105.508 + # 130 total E -8.37661E+01 rmsd from N 2.210 %NC 0.60 + 116.171 166.926 145.947 -13.064 + 91.505 81.891 137.554 -23.637 + 92.843 36.670 171.509 15.346 + 91.563 49.059 142.568 -92.407 + 90.164 41.623 114.354-126.101 + 90.624 49.306 157.137 26.971 + 90.645 45.257 131.934 178.447 + 92.019 76.468 137.909-129.940 + 90.140 -63.257 134.186-133.993 + 104.005 -66.822 180.000 180.000 + 98.388 -31.982 180.000 180.000 + 92.744 103.282 108.614-105.455 + 93.652 111.583 114.177 -78.431 + 112.374 -93.338 119.846-142.433 + 94.495 71.367 180.000 180.000 + 130.408 -72.451 112.773-101.258 + 117.749-104.991 118.350-125.906 + 119.364-141.021 110.971-110.586 + 119.290-117.620 119.701-124.965 + 120.991 0.000 148.406-104.782 + # 131 total E -7.68587E+01 rmsd from N 2.211 %NC 0.60 + 113.687 166.458 150.062-112.060 + 91.205 71.339 150.898-103.127 + 91.653 38.166 164.636 -0.029 + 90.896 56.248 141.278 -93.901 + 90.103 40.993 119.211-133.373 + 91.247 51.805 126.196 33.815 + 90.645 38.851 144.905-149.391 + 92.039 70.064 134.897-133.546 + 92.889 -91.536 135.409-130.186 + 135.336 -78.776 180.000 180.000 + 131.172 -55.754 180.000 180.000 + 92.937 57.459 97.403 -80.874 + 92.822 85.298 113.645 -76.941 + 124.059 -94.051 111.909 -89.682 + 96.063 62.319 180.000 180.000 + 127.812-105.329 101.965-119.856 + 119.278-109.888 115.088-119.684 + 117.704-140.313 119.276-121.775 + 117.499-117.555 126.208-132.557 + 121.513 0.000 121.242 -80.422 + # 132 total E -8.06687E+01 rmsd from N 2.218 %NC 0.67 + 112.675 162.139 149.481-135.057 + 91.649 71.841 139.506 -89.691 + 91.766 66.328 176.471 162.691 + 89.203 41.211 139.127 -93.028 + 89.441 48.136 106.725-111.754 + 90.322 58.348 149.725 -38.962 + 90.065 40.953 141.887 164.355 + 90.951 62.706 100.558-101.074 + 92.305 -67.015 131.247-121.302 + 120.643 -47.819 180.000 180.000 + 123.835 -59.383 180.000 180.000 + 92.925 68.270 100.376 -68.029 + 93.901 137.500 114.905 -76.933 + 108.733 -70.170 134.323-172.117 + 94.843 61.007 180.000 180.000 + 121.711 -93.807 102.604 -58.930 + 118.388-107.238 120.339-126.564 + 119.142-136.205 110.555-110.353 + 118.219-118.619 120.229-124.535 + 121.879 0.000 121.565 -81.024 + # 133 total E -7.71538E+01 rmsd from N 2.224 %NC 0.60 + 114.146 164.975 152.633-125.470 + 91.455 71.066 129.733 -31.806 + 92.256 44.510 174.240 165.971 + 90.117 45.800 139.627 -99.505 + 89.686 44.580 108.405 -32.327 + 91.064 49.536 176.471 159.525 + 90.879 40.357 142.367-159.119 + 93.370 64.012 130.538-134.778 + 92.448 -63.185 150.100 -4.351 + 111.185 -67.773 180.000 180.000 + 100.005 -22.283 180.000 180.000 + 93.273 108.374 98.490 -96.952 + 95.146 107.053 125.557-117.216 + 110.472 -95.854 137.729 -13.804 + 96.131 57.780 180.000 180.000 + 129.027 -99.123 123.232-110.829 + 118.502-112.429 118.209-124.613 + 118.707-135.227 118.286-119.283 + 118.221-121.677 115.466-116.991 + 120.922 0.000 148.001-121.933 + # 134 total E -8.03425E+01 rmsd from N 2.231 %NC 0.60 + 114.006 163.866 152.184-133.320 + 91.410 68.234 139.763 -42.105 + 91.304 46.080 171.757 12.673 + 89.603 49.887 141.460 -95.846 + 89.036 46.308 117.572-128.082 + 89.507 59.169 152.165-107.773 + 89.831 39.218 141.643 -45.684 + 92.036 70.868 105.887-110.262 + 90.827 -65.866 133.857-128.430 + 105.385 -64.076 180.000 180.000 + 98.876 -29.802 180.000 180.000 + 92.982 105.530 101.459 -92.388 + 94.041 117.900 114.870 -77.057 + 110.885 -85.754 117.256 -80.787 + 95.331 68.186 180.000 180.000 + 129.860 -80.831 113.331-104.262 + 117.577-106.256 121.602-130.027 + 119.398-143.152 109.843-108.817 + 117.393-120.232 123.127-130.325 + 121.203 0.000 149.941-107.881 + # 135 total E -8.03437E+01 rmsd from N 2.233 %NC 0.60 + 114.014 164.325 151.997-133.012 + 91.425 68.254 139.721 -42.588 + 91.331 46.012 171.753 12.541 + 89.603 49.877 141.364 -95.858 + 89.037 46.253 117.554-128.074 + 89.490 59.056 151.846-107.432 + 89.815 39.296 141.774 -45.050 + 92.030 70.625 106.221-110.285 + 90.824 -65.928 133.749-128.228 + 105.563 -64.081 180.000 180.000 + 98.974 -29.804 180.000 180.000 + 92.976 105.514 101.580 -92.451 + 94.001 117.630 114.585 -77.072 + 111.018 -85.807 117.307 -80.759 + 95.333 68.291 180.000 180.000 + 129.922 -80.978 113.402-104.356 + 117.614-106.265 121.618-129.944 + 119.299-143.438 110.015-109.131 + 117.300-120.730 123.053-130.231 + 121.258 0.000 149.729-108.104 + # 136 total E -8.12628E+01 rmsd from N 2.233 %NC 0.53 + 118.463 175.731 140.615 -6.882 + 91.097 77.543 149.124-108.230 + 90.916 45.845 167.203 9.525 + 89.548 50.692 139.881 -94.079 + 89.290 44.769 117.522-131.024 + 89.722 49.004 151.288 12.391 + 90.403 48.013 139.668-177.056 + 91.525 78.873 110.809 111.771 + 89.785 -62.690 135.356-132.184 + 103.030 -69.074 180.000 180.000 + 98.261 -29.667 180.000 180.000 + 93.051 104.292 137.775-164.551 + 93.200 112.010 115.501 -77.113 + 112.185 -92.072 119.466-133.640 + 94.533 75.373 180.000 180.000 + 132.966 -69.770 113.872-108.008 + 117.882-103.294 119.483-127.464 + 119.481-140.554 109.402-109.187 + 120.687-109.290 116.254-119.749 + 120.095 0.000 143.338-101.738 + # 137 total E -8.03443E+01 rmsd from N 2.234 %NC 0.60 + 113.781 163.981 152.345-134.124 + 91.385 68.012 140.005 -42.860 + 91.335 46.044 171.648 12.453 + 89.606 50.001 141.465 -95.688 + 89.038 46.221 117.478-128.241 + 89.499 59.227 150.994-107.507 + 89.811 39.217 141.964 -45.204 + 92.022 70.704 106.169-110.325 + 90.795 -65.872 133.836-128.634 + 105.638 -64.173 180.000 180.000 + 99.008 -29.634 180.000 180.000 + 92.994 105.381 101.436 -92.434 + 94.007 117.399 114.761 -77.108 + 111.376 -85.967 117.412 -80.731 + 95.302 68.081 180.000 180.000 + 129.821 -81.391 113.351-104.504 + 117.702-106.361 121.054-129.151 + 119.109-143.422 110.491-109.742 + 117.185-120.485 123.637-131.074 + 121.020 0.000 149.720-107.477 + # 138 total E -7.98865E+01 rmsd from N 2.234 %NC 0.67 + 113.767 164.356 152.325-133.332 + 91.391 66.973 138.515 -44.997 + 91.673 45.001 170.760 10.696 + 90.101 50.336 141.710 -92.860 + 89.340 44.817 117.361-127.617 + 89.961 56.465 147.975-101.446 + 90.084 41.206 144.133-171.986 + 92.301 67.327 109.079-106.647 + 91.946 -63.482 153.910 -15.008 + 108.851 -65.688 180.000 180.000 + 101.220 -30.270 180.000 180.000 + 92.750 105.211 102.467 -95.313 + 94.142 116.786 112.525 -77.634 + 110.709 -87.506 115.860 -78.590 + 95.251 67.851 180.000 180.000 + 130.026 -81.218 114.345-103.994 + 117.916-106.860 119.439-126.850 + 118.731-143.290 110.868-110.500 + 117.046-120.409 124.338-132.207 + 121.169 0.000 150.120-106.047 + # 139 total E -8.03441E+01 rmsd from N 2.238 %NC 0.60 + 113.962 164.126 152.064-134.280 + 91.398 68.086 139.777 -42.816 + 91.324 45.968 171.730 12.206 + 89.590 49.992 141.205 -95.868 + 89.034 46.234 117.638-128.254 + 89.501 59.185 151.352-107.485 + 89.799 39.233 141.728 -45.073 + 92.025 70.679 106.242-110.376 + 90.813 -65.940 133.882-128.432 + 105.560 -64.075 180.000 180.000 + 98.969 -29.714 180.000 180.000 + 92.984 105.502 101.630 -92.903 + 94.006 117.407 114.769 -77.154 + 111.322 -85.876 117.092 -80.871 + 95.326 68.345 180.000 180.000 + 129.813 -81.250 113.487-104.480 + 117.643-106.272 121.294-129.585 + 119.266-143.442 110.268-109.375 + 117.231-121.096 123.636-131.014 + 121.106 0.000 150.194-107.702 + # 140 total E -8.03202E+01 rmsd from N 2.246 %NC 0.60 + 113.788 163.880 152.167-136.208 + 91.526 69.261 137.510 -40.283 + 91.940 46.423 176.401 179.988 + 89.807 48.871 138.701 -99.114 + 89.231 45.540 115.929-127.270 + 89.838 60.407 156.325-104.108 + 89.988 38.985 142.491 -42.794 + 92.036 69.993 103.868-110.153 + 90.950 -66.318 132.709-128.540 + 105.400 -64.158 180.000 180.000 + 96.568 -28.848 180.000 180.000 + 92.633 108.064 102.723 -91.384 + 93.901 117.691 124.205-116.699 + 111.218 -84.258 117.678 -81.464 + 95.310 70.883 180.000 180.000 + 130.676 -79.772 114.663-102.897 + 117.842-105.215 121.655-130.091 + 118.788-141.127 109.113-108.374 + 117.818-120.416 122.677-129.717 + 121.818 0.000 122.200 -80.656 + # 141 total E -8.10015E+01 rmsd from N 2.252 %NC 0.67 + 113.775 164.458 152.237-133.062 + 91.407 67.097 139.209 -44.167 + 91.573 45.470 170.977 11.852 + 90.002 49.794 142.099 -93.449 + 89.276 45.347 117.269-126.923 + 89.951 57.861 149.260-102.860 + 89.966 39.566 145.573-169.759 + 91.953 70.248 106.201-106.203 + 91.073 -64.053 133.990-129.320 + 106.704 -65.381 180.000 180.000 + 97.534 -27.971 180.000 180.000 + 92.581 107.442 102.742 -96.526 + 94.035 114.733 123.040-117.326 + 111.492 -87.136 117.565 -80.109 + 95.423 68.777 180.000 180.000 + 130.568 -81.920 114.190-104.929 + 117.820-106.529 120.729-128.541 + 118.936-143.705 110.535-110.107 + 117.086-120.265 124.416-132.219 + 120.944 0.000 149.939-106.032 + # 142 total E -8.13985E+01 rmsd from N 2.261 %NC 0.67 + 113.868 164.278 152.204-133.085 + 91.405 67.124 138.979 -44.332 + 91.617 45.212 171.121 11.462 + 90.016 50.025 141.870 -93.237 + 89.265 45.290 117.319-127.225 + 89.931 57.768 148.676-102.130 + 89.908 39.663 144.221-172.622 + 91.909 70.065 106.502-106.128 + 91.092 -64.947 134.233-128.899 + 106.882 -63.958 180.000 180.000 + 99.833 -30.318 180.000 180.000 + 92.801 105.035 102.195 -94.350 + 94.025 116.413 113.637 -77.603 + 110.364 -85.558 117.650 -80.069 + 95.356 68.878 180.000 180.000 + 130.541 -82.020 114.331-105.185 + 117.855-106.417 120.694-128.583 + 118.948-144.058 110.331-109.790 + 116.993-120.100 124.685-132.695 + 121.131 0.000 150.104-106.105 + # 143 total E -8.29081E+01 rmsd from N 2.262 %NC 0.47 + 117.631 173.859 143.197 -8.514 + 91.158 77.246 139.025 -35.240 + 91.609 50.180 170.094 16.907 + 89.325 46.176 141.528 -86.615 + 89.154 48.795 113.858-126.485 + 89.511 65.748 136.256 -83.160 + 89.940 37.642 144.599 169.517 + 91.498 62.560 97.839 -88.015 + 92.343 -66.659 135.665-130.156 + 116.720 -53.169 180.000 180.000 + 121.169 -59.597 180.000 180.000 + 92.526 81.398 102.743 -90.056 + 93.099 134.903 113.183 -76.901 + 93.015 -68.555 114.980 -77.264 + 94.958 67.412 180.000 180.000 + 133.348 -86.877 123.665 -46.193 + 118.558-101.679 124.904-131.861 + 116.656-137.920 109.597-110.323 + 117.664-118.837 124.693-133.041 + 121.799 0.000 121.601 -80.978 + # 144 total E -8.28049E+01 rmsd from N 2.268 %NC 0.60 + 117.503 172.359 143.708 -8.781 + 91.222 77.874 139.842 -32.787 + 91.155 54.811 169.672 21.972 + 89.033 43.698 145.623 -88.690 + 89.311 53.463 113.610-124.258 + 89.768 75.271 139.798 -88.899 + 90.009 39.413 146.985-175.838 + 91.576 68.910 101.045-104.120 + 91.479 -63.749 135.468-123.695 + 108.411 -64.330 180.000 180.000 + 102.113 -31.191 180.000 180.000 + 92.287 102.864 103.862 -98.043 + 94.031 124.653 111.370 -77.836 + 93.365 -78.346 114.377 -73.864 + 95.080 71.276 180.000 180.000 + 136.992 -82.085 127.305 -49.717 + 118.978-100.425 121.627-127.093 + 115.352-139.171 108.227-109.756 + 117.583-118.878 126.110-135.970 + 121.024 0.000 148.455-110.138 + # 145 total E -8.16601E+01 rmsd from N 2.269 %NC 0.67 + 118.303 179.591 142.248 -7.530 + 91.034 72.248 136.432 -51.439 + 91.798 44.703 170.435 12.092 + 89.967 50.455 143.980 -91.902 + 89.247 45.027 117.770-127.310 + 89.939 58.201 148.153-102.940 + 89.935 39.428 145.749-167.464 + 91.928 70.159 106.045-106.196 + 91.058 -64.061 134.168-129.650 + 106.730 -65.542 180.000 180.000 + 97.646 -27.798 180.000 180.000 + 92.586 107.269 102.776 -96.360 + 94.040 114.272 123.455-117.008 + 111.792 -87.249 117.414 -80.179 + 95.443 69.001 180.000 180.000 + 130.476 -82.271 114.432-105.118 + 117.847-106.594 120.380-128.222 + 118.819-143.891 110.725-110.239 + 116.948-120.068 124.731-132.609 + 121.112 0.000 149.923-105.019 + # 146 total E -7.63275E+01 rmsd from N 2.270 %NC 0.73 + 113.047 162.847 150.076-125.326 + 91.595 76.107 141.293 -30.264 + 89.944 58.293 134.495 49.869 + 88.147 46.407 137.637 -96.085 + 88.386 52.421 118.190-126.846 + 89.065 60.991 127.205 27.494 + 89.856 39.934 172.841-162.961 + 91.438 63.319 111.124 122.888 + 92.241 -66.129 141.418-115.166 + 114.678-171.221 180.000 180.000 + 142.447 -60.349 180.000 180.000 + 90.971 56.862 102.282-116.858 + 90.940 40.518 111.905 -77.338 + 94.076-125.307 109.032 -77.912 + 95.463 133.216 180.000 180.000 + 123.229 -73.000 151.181-128.683 + 116.965-143.439 116.635-124.271 + 118.030-108.082 141.784-156.878 + 118.619-117.702 113.503-114.784 + 120.571 0.000 145.143-121.628 + # 147 total E -8.47866E+01 rmsd from N 2.277 %NC 0.67 + 116.038 165.492 145.978 -16.027 + 91.377 82.948 143.761 -24.375 + 91.635 42.815 167.914 19.863 + 89.332 47.423 145.749 -89.062 + 89.334 45.649 115.972-131.250 + 89.777 50.902 165.410 94.238 + 90.251 40.361 148.286-140.407 + 92.121 66.558 132.018-137.755 + 91.483 -69.686 140.080 -43.992 + 109.899 -54.400 180.000 180.000 + 112.265 -63.071 180.000 180.000 + 92.650 74.683 138.150-166.470 + 92.943 122.185 114.125 -76.584 + 127.561 -87.504 126.671-133.665 + 94.664 72.621 180.000 180.000 + 121.035 -67.329 129.090 -76.702 + 118.675-110.917 111.060-115.510 + 120.077-136.903 111.549-111.800 + 118.194-118.414 121.365-125.918 + 120.913 0.000 147.165-117.661 + # 148 total E -8.14437E+01 rmsd from N 2.277 %NC 0.67 + 113.728 164.277 152.636-135.036 + 91.500 68.209 136.471 -41.131 + 92.109 46.067 176.428-179.539 + 90.316 48.305 140.357 -98.405 + 89.620 43.794 115.549-125.445 + 90.474 58.620 152.951 -94.783 + 90.055 39.500 140.347-174.974 + 91.835 69.395 104.606-104.791 + 91.212 -65.922 133.248-128.787 + 106.910 -62.925 180.000 180.000 + 99.522 -31.463 180.000 180.000 + 92.674 105.525 102.504 -91.750 + 93.862 117.828 113.517 -77.473 + 108.471 -82.015 117.972 -80.641 + 95.354 71.937 180.000 180.000 + 131.891 -80.312 115.999-104.249 + 118.088-105.028 121.091-129.128 + 118.414-143.143 108.786-108.452 + 117.721-120.338 123.658-131.215 + 120.961 0.000 149.811-105.978 + # 149 total E -8.03648E+01 rmsd from N 2.278 %NC 0.67 + 115.230 163.336 110.267 -81.551 + 91.438 72.038 136.929 -55.413 + 91.826 46.239 169.480 10.907 + 89.932 50.875 143.645 -89.830 + 89.232 45.129 118.916-126.014 + 89.851 54.181 144.164-107.270 + 90.125 41.297 144.756-165.917 + 92.564 65.866 128.361-130.129 + 92.018 -63.580 153.049 -14.750 + 109.900 -65.527 180.000 180.000 + 101.570 -29.285 180.000 180.000 + 92.829 104.816 102.352 -95.441 + 94.185 114.986 112.532 -77.694 + 113.334 -89.803 115.721 -77.773 + 95.254 67.089 180.000 180.000 + 129.049 -83.198 114.841-104.127 + 118.110-108.057 117.634-124.188 + 118.309-143.966 112.638-112.865 + 116.477-121.017 126.259-135.037 + 121.760 0.000 122.205 -80.657 + # 150 total E -8.89160E+01 rmsd from N 2.288 %NC 0.47 + 114.760 172.072 152.073-107.207 + 91.169 74.074 129.578 -22.307 + 91.166 44.715 92.607 -82.612 + 90.746 42.942 145.086 -97.806 + 90.073 43.647 116.848-119.859 + 90.781 49.711 163.758 25.398 + 90.554 46.305 131.963-164.878 + 91.966 74.268 134.091-131.347 + 90.482 -64.802 131.394-135.123 + 103.208 -66.161 180.000 180.000 + 98.833 -32.763 180.000 180.000 + 92.819 104.053 139.621-168.212 + 94.453 102.665 112.786 -77.274 + 123.087 -95.333 118.988 -77.508 + 94.682 80.468 180.000 180.000 + 130.346 -69.249 129.215 -92.460 + 119.051-108.375 109.351-113.430 + 118.637-139.027 110.745-111.820 + 117.198-117.958 126.807-135.660 + 121.658 0.000 121.357 -80.878 + # 151 total E -8.91419E+01 rmsd from N 2.297 %NC 0.53 + 112.047 157.828 153.512 -38.743 + 92.106 81.445 132.761 -29.756 + 92.113 41.940 100.935 -80.493 + 91.250 44.041 149.418 -95.087 + 90.144 42.607 117.205-118.613 + 90.820 50.096 163.640 32.360 + 90.674 46.338 132.107-161.797 + 92.032 75.104 135.964-130.130 + 90.348 -64.681 131.128-137.487 + 102.558 -65.346 180.000 180.000 + 98.302 -33.185 180.000 180.000 + 92.853 104.388 139.735-168.818 + 94.539 103.233 113.111 -77.287 + 123.302 -95.473 119.203 -77.260 + 94.742 79.609 180.000 180.000 + 129.772 -69.994 128.309 -91.516 + 119.013-108.841 110.170-114.435 + 119.065-138.788 110.503-111.254 + 117.411-118.105 125.311-132.877 + 120.973 0.000 147.747-112.210 + # 152 total E -8.93572E+01 rmsd from N 2.303 %NC 0.53 + 111.839 157.932 153.228 -39.712 + 92.100 81.458 132.571 -29.607 + 92.064 42.044 100.702 -80.440 + 91.240 44.180 149.492 -95.347 + 90.145 42.455 117.684-118.559 + 90.867 50.305 163.931 30.160 + 90.684 46.141 132.108-161.734 + 92.043 75.122 135.822-130.315 + 90.407 -64.495 130.735-137.733 + 102.558 -65.428 180.000 180.000 + 98.308 -32.975 180.000 180.000 + 92.855 104.411 139.674-168.493 + 94.566 103.298 113.187 -77.140 + 123.112 -95.252 119.273 -77.265 + 94.763 79.531 180.000 180.000 + 130.050 -69.600 128.006 -92.241 + 119.033-108.693 110.034-114.304 + 118.954-138.498 110.757-111.589 + 117.318-118.081 125.921-133.905 + 121.814 0.000 121.449 -80.873 + # 153 total E -8.48761E+01 rmsd from N 2.308 %NC 0.67 + 117.297 173.296 144.645 -8.365 + 91.258 79.002 139.560 -33.997 + 92.091 45.046 176.450 175.300 + 89.937 46.569 141.639 -99.589 + 89.565 43.711 114.264-126.654 + 90.728 56.213 176.480-142.299 + 90.191 40.001 145.510-159.593 + 91.821 66.892 105.113-105.174 + 91.466 -71.023 134.311-122.272 + 109.159 -56.694 180.000 180.000 + 111.109 -55.391 180.000 180.000 + 92.827 85.674 138.814-166.715 + 94.071 119.135 112.992 -76.534 + 126.070 -85.828 122.561 -81.949 + 95.012 77.040 180.000 180.000 + 127.361 -64.598 131.263 -83.820 + 118.165-107.976 110.564-115.508 + 119.387-138.808 110.944-111.362 + 117.760-117.760 125.033-132.414 + 121.639 0.000 121.127 -80.932 + # 154 total E -8.22205E+01 rmsd from N 2.309 %NC 0.60 + 112.995 163.132 150.141-142.443 + 91.638 67.193 134.948 -49.874 + 91.793 59.217 176.430 165.425 + 89.529 42.799 143.028 -93.909 + 89.604 49.391 110.190-117.965 + 90.411 71.250 135.910 -93.023 + 90.336 39.827 145.260 178.990 + 91.645 66.805 100.049 -99.610 + 92.012 -65.699 133.520-132.934 + 109.883 -60.183 180.000 180.000 + 103.123 -34.620 180.000 180.000 + 92.145 99.855 108.016-102.354 + 93.555 118.541 108.742 -78.113 + 96.145 -78.312 117.077 -78.965 + 95.563 80.369 180.000 180.000 + 133.482 -86.936 121.908-107.141 + 120.731-107.799 113.577-117.803 + 115.185-141.642 107.404-108.680 + 117.125-119.028 128.800-141.045 + 120.900 0.000 149.028-106.811 + # 155 total E -7.07400E+01 rmsd from N 2.317 %NC 0.47 + 117.758 176.431 144.088 -7.898 + 91.160 76.822 141.961 -41.739 + 91.304 50.016 176.443 178.702 + 88.962 51.426 136.145 -90.779 + 89.029 46.890 116.669-132.974 + 89.113 51.562 129.358 -98.363 + 89.535 54.496 151.792 -32.396 + 90.341 75.175 132.091-132.363 + 90.949 -42.878 104.361 -79.917 + 111.489-164.777 180.000 180.000 + 142.190 -54.997 180.000 180.000 + 91.764 52.995 103.044-109.007 + 92.343 72.279 112.942 -77.150 + 122.754 -97.203 113.355 -82.309 + 96.739 76.273 180.000 180.000 + 135.748-111.157 95.184 -62.571 + 119.108-107.106 118.975-125.137 + 116.028-130.247 149.269-168.132 + 119.386-119.023 115.402-118.118 + 121.631 0.000 121.716 -80.458 + # 156 total E -8.66586E+01 rmsd from N 2.318 %NC 0.60 + 112.244 158.371 153.211 -37.514 + 92.047 81.024 131.955 -29.997 + 92.269 41.728 101.814 -80.683 + 91.365 43.710 150.681 -95.908 + 90.299 43.435 117.097-117.300 + 91.162 48.857 161.461 34.009 + 90.861 45.898 131.873-152.562 + 92.178 74.513 136.667-130.140 + 90.379 -66.817 130.257-137.125 + 103.154 -65.466 180.000 180.000 + 98.167 -31.250 180.000 180.000 + 93.003 104.889 107.437-100.926 + 94.448 100.937 114.182 -77.323 + 119.430 -94.444 117.869 -77.064 + 94.583 79.069 180.000 180.000 + 130.921 -71.287 125.732 -93.992 + 119.222-108.569 108.986-112.875 + 118.507-138.045 112.347-113.344 + 117.528-118.421 125.136-132.113 + 120.701 0.000 148.078-112.453 + # 157 total E -8.48008E+01 rmsd from N 2.319 %NC 0.60 + 115.728 169.016 112.898 -81.501 + 91.607 78.928 141.052 -33.636 + 91.939 42.512 168.661 16.152 + 89.847 48.488 143.278 -92.519 + 89.327 43.404 115.602-129.045 + 90.253 53.303 176.475 164.140 + 90.330 40.303 151.853-151.782 + 92.280 65.164 129.910-134.985 + 91.696 -69.887 136.452-107.046 + 110.569 -54.062 180.000 180.000 + 112.691 -57.218 180.000 180.000 + 92.768 82.592 138.029-166.042 + 93.295 123.937 113.087 -76.975 + 122.898 -87.148 131.816-134.373 + 94.867 74.256 180.000 180.000 + 126.255 -64.552 127.889 -84.649 + 117.842-108.115 111.882-117.308 + 119.771-137.289 110.927-111.141 + 118.136-118.437 122.131-127.755 + 120.787 0.000 147.180-116.779 + # 158 total E -8.68711E+01 rmsd from N 2.319 %NC 0.60 + 112.166 158.522 153.062 -36.980 + 92.077 81.123 131.930 -30.142 + 92.303 41.659 101.959 -80.426 + 91.426 43.717 150.572 -96.204 + 90.318 43.344 117.155-116.936 + 91.195 48.940 161.203 31.701 + 90.848 45.976 131.978-152.466 + 92.152 74.562 136.616-130.094 + 90.390 -66.678 130.332-136.911 + 103.199 -65.696 180.000 180.000 + 98.224 -31.133 180.000 180.000 + 93.023 104.849 107.525-101.110 + 94.395 100.649 114.080 -77.383 + 119.591 -94.318 117.896 -77.346 + 94.572 79.180 180.000 180.000 + 131.111 -71.382 126.121 -94.404 + 119.228-108.391 109.224-113.213 + 118.439-137.796 112.234-113.231 + 117.405-118.476 125.878-133.441 + 121.877 0.000 121.399 -80.865 + # 159 total E -8.68710E+01 rmsd from N 2.319 %NC 0.60 + 112.208 158.315 153.376 -37.186 + 92.051 80.943 131.715 -30.155 + 92.311 41.582 101.731 -80.543 + 91.397 43.728 150.618 -96.019 + 90.290 43.389 117.036-117.140 + 91.180 48.785 161.117 31.920 + 90.845 45.987 131.909-152.475 + 92.149 74.412 136.849-130.218 + 90.392 -66.692 130.347-136.800 + 103.384 -65.714 180.000 180.000 + 98.237 -31.188 180.000 180.000 + 93.025 104.794 107.397-100.673 + 94.419 100.716 114.119 -77.338 + 119.566 -94.267 118.099 -77.186 + 94.624 78.942 180.000 180.000 + 131.118 -71.385 125.822 -94.407 + 119.249-108.376 109.178-113.111 + 118.462-137.939 112.270-113.203 + 117.445-118.591 125.535-133.005 + 121.818 0.000 121.478 -81.016 + # 160 total E -7.51891E+01 rmsd from N 2.336 %NC 0.47 + 113.937 166.286 151.162-115.676 + 91.181 71.482 156.695-113.683 + 90.343 43.577 124.716 -40.306 + 89.772 51.271 144.638 -95.578 + 90.096 45.770 124.941-129.645 + 90.663 48.650 138.241 99.850 + 90.853 41.675 142.715-121.227 + 92.944 70.310 134.795-135.695 + 92.193 -59.185 144.424-151.481 + 118.262 -76.439 180.000 180.000 + 119.132 -45.984 180.000 180.000 + 92.927 77.607 105.402-102.911 + 93.353 113.501 113.122 -77.591 + 115.715 -95.988 129.162-143.944 + 95.112 67.269 180.000 180.000 + 127.459 -74.190 116.688 -54.841 + 115.322-101.466 121.269-129.407 + 118.034-143.071 111.338-110.824 + 121.012 -87.739 123.631-130.234 + 119.139 0.000 114.632 -80.446 + # 161 total E -8.82616E+01 rmsd from N 2.336 %NC 0.53 + 114.946 172.768 152.247-107.284 + 91.143 73.883 129.668 -23.788 + 91.307 44.299 93.024 -82.349 + 90.836 43.100 145.067 -98.188 + 90.160 43.139 116.656-119.647 + 90.872 50.118 164.911 23.767 + 90.533 45.037 132.219-164.870 + 91.980 73.094 133.734-131.865 + 90.624 -64.040 132.808-132.134 + 104.693 -66.822 180.000 180.000 + 99.533 -32.518 180.000 180.000 + 92.710 101.848 139.871-168.552 + 93.333 107.495 112.930 -78.022 + 121.826 -97.280 122.055-134.945 + 94.458 77.145 180.000 180.000 + 129.255 -67.809 125.450 -95.417 + 118.887-107.566 109.854-114.262 + 118.475-138.741 110.441-111.354 + 117.559-118.520 125.282-133.566 + 120.859 0.000 147.942-111.591 + # 162 total E -8.54440E+01 rmsd from N 2.337 %NC 0.60 + 112.248 157.983 153.137 -37.980 + 92.055 81.436 132.152 -29.458 + 92.194 42.265 101.559 -80.611 + 91.302 43.165 150.617 -96.378 + 90.329 44.403 117.144-116.753 + 91.099 47.785 160.205 36.747 + 91.063 50.281 130.858-151.020 + 92.387 74.652 127.685-108.704 + 91.430 -67.060 81.876 -74.239 + 100.664 -62.939 180.000 180.000 + 98.524 -27.842 180.000 180.000 + 92.895 108.171 106.979-100.999 + 94.209 99.260 121.134-117.464 + 120.274 -95.720 116.853 -75.285 + 94.691 80.802 180.000 180.000 + 131.069 -71.413 125.597 -95.511 + 119.196-108.454 109.039-113.021 + 118.407-138.126 112.313-113.306 + 117.376-118.640 126.058-133.627 + 121.014 0.000 148.114-111.459 + # 163 total E -8.74956E+01 rmsd from N 2.347 %NC 0.53 + 116.714 169.623 145.070 -11.699 + 91.486 81.207 133.724 -26.247 + 93.438 36.834 176.439 178.943 + 91.925 49.094 141.035 -96.153 + 90.432 40.795 113.383-125.535 + 91.073 50.012 163.208 29.899 + 90.736 45.536 134.708-172.072 + 92.120 75.893 136.667-128.775 + 90.193 -65.106 131.604-136.882 + 102.585 -66.433 180.000 180.000 + 98.007 -32.006 180.000 180.000 + 92.991 104.652 139.314-167.747 + 94.459 102.102 114.009 -76.906 + 123.287 -95.839 119.093 -77.593 + 94.640 80.663 180.000 180.000 + 130.011 -68.704 129.387 -91.367 + 118.971-107.946 108.882-112.900 + 118.472-141.211 110.860-111.981 + 118.367-108.329 126.999-135.212 + 120.774 0.000 118.868 -80.428 + # 164 total E -8.30162E+01 rmsd from N 2.347 %NC 0.53 + 112.130 156.477 150.613 -41.121 + 91.982 85.144 140.307 -23.291 + 90.755 44.768 101.099 -79.597 + 88.985 47.515 148.816 -95.829 + 89.184 45.250 122.701-131.199 + 89.998 49.370 165.022 105.699 + 90.622 39.584 137.165 -54.151 + 92.695 66.548 133.595-139.526 + 91.868 -71.488 143.861 -37.911 + 110.630 -53.925 180.000 180.000 + 112.984 -59.285 180.000 180.000 + 92.833 76.840 103.834-102.627 + 93.259 121.606 113.924 -77.863 + 126.783 -89.060 127.535-137.879 + 94.820 72.007 180.000 180.000 + 121.405 -68.054 126.375 -88.209 + 118.523-109.682 112.009-116.884 + 120.032-137.076 111.209-111.151 + 117.752-118.301 123.441-129.212 + 120.830 0.000 147.595-115.038 + # 165 total E -8.74963E+01 rmsd from N 2.349 %NC 0.53 + 116.841 169.888 144.926 -10.246 + 91.437 80.750 133.865 -26.119 + 93.391 36.773 176.438 179.040 + 91.930 49.109 140.909 -96.360 + 90.438 40.618 113.549-125.520 + 91.113 50.088 163.675 29.404 + 90.708 45.249 134.803-172.428 + 92.120 75.861 136.694-129.090 + 90.229 -65.176 131.768-136.856 + 102.606 -66.410 180.000 180.000 + 98.094 -32.043 180.000 180.000 + 92.998 104.622 139.244-167.437 + 94.468 102.205 113.802 -77.101 + 123.243 -95.609 119.228 -77.359 + 94.684 80.457 180.000 180.000 + 130.222 -68.608 129.178 -91.637 + 118.956-107.847 109.150-113.255 + 118.503-141.041 110.812-111.962 + 118.397-108.250 126.891-135.029 + 120.652 0.000 118.876 -80.310 + # 166 total E -8.74944E+01 rmsd from N 2.349 %NC 0.53 + 116.876 169.949 145.012 -10.263 + 91.443 80.587 134.023 -26.182 + 93.414 36.663 176.440 179.054 + 91.883 49.192 140.945 -96.280 + 90.435 40.599 113.506-125.686 + 91.109 50.088 163.891 29.955 + 90.716 45.098 134.583-172.360 + 92.120 75.841 136.715-129.081 + 90.209 -65.175 131.841-136.718 + 102.579 -66.434 180.000 180.000 + 98.024 -32.024 180.000 180.000 + 93.032 104.656 139.231-167.404 + 94.491 102.267 113.818 -77.127 + 123.164 -95.689 119.213 -77.354 + 94.674 80.540 180.000 180.000 + 130.107 -68.769 129.097 -91.584 + 118.922-107.870 109.190-113.431 + 118.551-141.090 110.723-111.766 + 118.499-108.127 126.621-134.622 + 120.573 0.000 118.815 -80.164 + # 167 total E -8.74962E+01 rmsd from N 2.349 %NC 0.53 + 117.040 170.123 144.750 -10.991 + 91.432 80.802 133.726 -26.018 + 93.406 36.712 176.443 178.677 + 91.927 49.064 141.018 -96.286 + 90.450 40.752 113.453-125.560 + 91.077 50.001 163.198 29.471 + 90.721 45.484 134.880-171.992 + 92.101 75.864 136.772-129.248 + 90.185 -65.203 131.752-136.941 + 102.677 -66.299 180.000 180.000 + 98.181 -32.244 180.000 180.000 + 92.975 104.532 139.115-167.258 + 94.463 102.213 113.631 -77.080 + 123.282 -95.651 119.107 -77.569 + 94.632 80.488 180.000 180.000 + 130.033 -68.697 129.355 -91.464 + 118.990-107.927 109.112-113.178 + 118.478-141.280 110.770-111.935 + 118.383-108.104 126.841-134.995 + 120.660 0.000 119.112 -80.174 + # 168 total E -8.74951E+01 rmsd from N 2.351 %NC 0.53 + 116.979 170.092 145.052 -10.338 + 91.447 80.575 133.770 -25.978 + 93.410 36.817 176.437 178.959 + 91.931 48.948 140.765 -96.280 + 90.448 40.741 113.434-125.321 + 91.090 50.022 163.237 29.294 + 90.704 45.447 134.890-172.540 + 92.148 75.768 136.732-129.061 + 90.253 -65.086 131.751-136.207 + 102.703 -66.405 180.000 180.000 + 98.075 -32.195 180.000 180.000 + 92.977 104.615 138.781-166.848 + 94.452 102.122 113.762 -77.039 + 123.298 -95.328 118.948 -77.395 + 94.669 80.347 180.000 180.000 + 130.192 -68.672 129.346 -91.648 + 118.972-107.791 108.944-113.065 + 118.543-141.163 110.842-112.014 + 118.346-108.409 127.078-135.309 + 120.815 0.000 118.879 -80.313 + # 169 total E -7.46339E+01 rmsd from N 2.352 %NC 0.60 + 113.756 164.245 152.000-128.739 + 91.285 71.049 153.145-126.655 + 89.895 47.959 121.839 -37.550 + 89.625 51.718 142.229 -96.411 + 89.547 46.643 122.486-131.438 + 90.470 48.468 139.045 37.802 + 90.576 47.062 145.720-114.302 + 91.829 70.747 135.551-136.081 + 92.235 -93.692 137.441-124.465 + 124.026 -73.506 180.000 180.000 + 105.585 -23.381 180.000 180.000 + 92.392 93.125 99.147 -90.292 + 93.726 75.508 110.714 -78.203 + 112.318-100.255 126.070-124.698 + 94.950 60.619 180.000 180.000 + 134.896 -83.954 142.562 137.981 + 118.465-106.017 114.999-119.929 + 118.198-137.596 128.657-133.266 + 119.074-117.138 115.854-117.869 + 121.634 0.000 120.981 -80.950 + # 170 total E -8.62917E+01 rmsd from N 2.363 %NC 0.67 + 112.413 158.616 153.545 -36.874 + 92.052 80.740 131.963 -30.581 + 92.336 41.264 102.066 -80.706 + 91.410 44.147 150.523 -95.832 + 90.328 42.725 116.884-118.204 + 91.183 49.477 162.690 33.936 + 90.795 44.929 132.435-153.810 + 92.103 73.358 136.568-131.728 + 90.564 -65.437 132.452-134.284 + 104.725 -66.116 180.000 180.000 + 99.093 -31.806 180.000 180.000 + 92.786 102.112 108.937-104.851 + 93.490 106.555 113.529 -78.823 + 119.396 -96.341 120.330-137.628 + 94.260 75.285 180.000 180.000 + 129.145 -69.412 122.514 -95.793 + 118.977-107.934 109.708-113.937 + 118.620-137.423 111.874-112.606 + 117.669-118.282 124.076-131.095 + 120.784 0.000 147.633-113.381 + # 171 total E -8.17198E+01 rmsd from N 2.368 %NC 0.53 + 113.382 166.672 148.374-104.871 + 91.530 74.702 136.318 -23.564 + 92.774 38.683 176.431-179.861 + 91.351 47.752 138.651 -97.146 + 90.129 42.853 113.608-125.747 + 90.646 50.502 166.119 35.173 + 90.609 44.020 142.369 -43.343 + 92.336 74.152 133.774-134.454 + 90.390 -67.546 131.274-135.798 + 102.882 -64.836 180.000 180.000 + 97.724 -31.944 180.000 180.000 + 93.076 105.480 107.316 -99.143 + 94.389 103.078 113.964 -77.361 + 120.689 -93.166 117.666 -77.660 + 94.506 80.182 180.000 180.000 + 130.987 -68.426 126.374 -94.485 + 118.950-107.393 107.923-111.757 + 117.707-141.316 111.592-113.049 + 118.257-107.003 128.752-138.070 + 120.528 0.000 118.620 -80.168 + # 172 total E -8.57794E+01 rmsd from N 2.368 %NC 0.60 + 115.005 173.931 152.219-106.299 + 91.165 73.573 129.306 -24.377 + 91.432 44.230 93.363 -81.921 + 90.950 42.722 145.811 -98.761 + 90.195 43.742 116.551-118.332 + 90.977 49.607 163.770 24.459 + 90.635 44.788 132.223-160.320 + 92.013 72.417 133.630-131.605 + 90.696 -65.114 131.681-132.882 + 105.385 -66.127 180.000 180.000 + 99.459 -31.888 180.000 180.000 + 92.725 102.122 109.789-106.178 + 93.443 106.647 113.122 -78.697 + 119.290 -95.463 120.472-136.823 + 94.332 76.400 180.000 180.000 + 129.892 -68.276 123.318 -97.609 + 118.959-107.294 109.385-113.599 + 118.137-138.127 111.353-112.335 + 117.531-118.282 125.550-133.780 + 120.825 0.000 147.838-111.560 + # 173 total E -8.51629E+01 rmsd from N 2.372 %NC 0.60 + 112.684 157.934 151.127 -36.308 + 91.843 82.334 127.924 -20.402 + 91.902 42.665 103.953 -87.635 + 91.180 44.605 153.201 -97.362 + 90.591 42.781 116.872-121.165 + 91.902 51.690 128.802 41.006 + 90.763 41.704 135.380-138.852 + 91.954 67.116 134.082-134.016 + 93.692-105.917 136.047-137.267 + 133.164 -73.139 180.000 180.000 + 125.967 -47.509 180.000 180.000 + 92.671 62.844 97.619 -81.166 + 93.437 81.116 113.354 -76.903 + 123.631 -97.851 114.042 -81.780 + 96.047 64.440 180.000 180.000 + 132.672 -93.162 154.343 -47.747 + 120.689-113.601 105.546-106.655 + 117.452-139.612 123.977-128.927 + 116.096-118.848 133.188-142.677 + 121.009 0.000 148.830-104.993 + # 174 total E -8.51601E+01 rmsd from N 2.372 %NC 0.60 + 112.779 158.061 150.574 -38.180 + 91.843 82.469 127.706 -20.598 + 91.932 42.719 103.543 -87.729 + 91.200 44.530 153.271 -97.361 + 90.574 42.890 116.793-120.892 + 91.882 51.667 128.674 40.649 + 90.736 41.836 135.367-138.868 + 91.907 67.110 133.944-134.024 + 93.617-105.893 135.920-137.509 + 133.195 -72.694 180.000 180.000 + 126.191 -47.683 180.000 180.000 + 92.697 62.582 97.675 -81.055 + 93.472 81.902 113.440 -76.886 + 123.736 -97.764 114.401 -81.937 + 96.007 63.958 180.000 180.000 + 132.790 -92.631 153.892 -48.457 + 120.657-113.689 105.446-106.542 + 117.547-139.472 123.637-128.458 + 116.082-118.421 133.228-142.827 + 121.165 0.000 149.000-105.317 + # 175 total E -7.97079E+01 rmsd from N 2.373 %NC 0.73 + 113.511 164.054 150.835-124.113 + 91.274 70.747 153.311-113.708 + 90.213 48.139 122.783 -40.334 + 90.229 46.569 142.303 -88.724 + 89.708 45.107 119.431-124.466 + 90.051 56.114 109.043 -58.757 + 90.264 43.254 156.410-137.739 + 92.515 61.787 129.426-138.312 + 92.268 -64.250 148.755-130.143 + 112.716 -63.012 180.000 180.000 + 102.274 -26.691 180.000 180.000 + 92.682 102.290 103.262 -96.684 + 94.061 121.393 113.233 -77.394 + 115.587 -93.002 118.923 -85.100 + 95.107 60.064 180.000 180.000 + 125.715 -81.475 89.932 -66.722 + 116.047-108.753 119.643-127.674 + 120.952-141.219 110.614-108.172 + 116.531-141.441 116.327-120.843 + 119.842 0.000 144.725-176.163 + # 176 total E -8.70508E+01 rmsd from N 2.377 %NC 0.60 + 117.009 170.266 144.937 -10.804 + 91.442 80.480 134.162 -26.213 + 93.490 36.205 176.445 179.444 + 91.978 49.579 141.036 -96.275 + 90.512 40.211 113.527-125.916 + 91.153 50.411 163.951 31.673 + 90.718 44.530 135.334-171.283 + 92.097 74.803 136.725-130.127 + 90.322 -64.464 133.419-133.520 + 103.949 -66.849 180.000 180.000 + 98.746 -32.388 180.000 180.000 + 92.858 102.333 139.191-167.316 + 93.392 107.083 113.338 -78.039 + 122.110 -98.037 121.514-134.716 + 94.317 77.126 180.000 180.000 + 128.750 -67.056 125.816 -92.507 + 118.899-107.563 109.262-113.342 + 118.525-140.599 110.749-111.873 + 118.658-108.271 125.419-132.965 + 120.886 0.000 118.958 -80.373 + # 177 total E -8.06319E+01 rmsd from N 2.378 %NC 0.67 + 115.762 163.504 146.439 -17.061 + 91.580 83.625 140.900 -14.885 + 92.910 33.315 170.509 12.236 + 91.916 53.209 145.633 -94.506 + 90.548 41.167 116.159-129.820 + 91.239 51.977 127.321 34.066 + 90.653 38.746 143.979-148.223 + 92.069 69.599 134.884-133.893 + 93.024 -92.461 135.251-128.944 + 134.816 -77.441 180.000 180.000 + 131.740 -55.923 180.000 180.000 + 93.006 57.019 97.012 -80.274 + 92.810 84.475 113.622 -76.879 + 125.499 -96.502 112.036 -88.895 + 96.138 68.201 180.000 180.000 + 129.679 -97.396 107.108-122.698 + 119.877-112.756 105.192-106.491 + 115.003-146.976 122.487-128.833 + 117.065-112.766 135.800-147.965 + 120.127 0.000 145.808 -85.240 + # 178 total E -7.45667E+01 rmsd from N 2.378 %NC 0.47 + 114.004 164.393 153.021-139.065 + 91.507 68.397 133.178 -44.887 + 92.007 45.178 176.405-178.741 + 90.647 50.766 138.829-101.542 + 89.667 42.949 108.040 -45.020 + 90.445 52.869 155.702-125.244 + 89.641 50.413 146.496 -46.384 + 91.027 80.921 131.521-137.289 + 89.959 -57.450 134.424-114.430 + 107.652 -79.775 180.000 180.000 + 104.117 -27.615 180.000 180.000 + 92.374 96.604 104.088-104.745 + 93.896 66.565 111.093 -79.137 + 94.519 -99.053 119.337-135.257 + 93.766 156.941 180.000 180.000 + 137.573 -90.412 136.212-110.656 + 116.349-106.716 115.819-124.377 + 120.398-139.386 111.512-110.352 + 116.656-118.809 131.055-140.951 + 121.763 0.000 121.675 -80.970 + # 179 total E -8.74161E+01 rmsd from N 2.379 %NC 0.53 + 116.714 169.484 145.313 -11.166 + 91.428 79.681 135.426 -26.634 + 93.140 35.152 172.447 14.604 + 91.929 50.093 142.782 -92.943 + 90.184 41.579 114.742-125.297 + 90.638 50.213 163.655 29.698 + 90.688 45.135 136.549-173.998 + 92.172 76.037 136.957-129.315 + 90.277 -64.950 132.046-136.987 + 102.579 -66.144 180.000 180.000 + 98.051 -32.300 180.000 180.000 + 93.009 104.921 139.350-167.711 + 94.549 102.343 113.719 -77.066 + 122.573 -95.639 119.461 -77.130 + 94.760 79.836 180.000 180.000 + 130.657 -68.782 128.128 -92.196 + 118.615-107.763 110.708-115.424 + 119.436-143.066 110.874-111.386 + 118.833-102.480 126.189-133.434 + 120.215 0.000 117.661 -79.836 + # 180 total E -8.74159E+01 rmsd from N 2.380 %NC 0.53 + 116.630 169.091 145.520 -12.065 + 91.453 80.032 135.329 -26.915 + 93.212 35.173 172.479 14.052 + 91.924 50.094 142.838 -92.714 + 90.183 41.494 114.632-125.134 + 90.642 50.287 163.548 29.292 + 90.678 45.131 136.673-174.176 + 92.165 76.189 136.996-129.300 + 90.255 -64.905 131.987-137.395 + 102.468 -66.204 180.000 180.000 + 97.992 -32.169 180.000 180.000 + 93.023 105.010 139.317-167.629 + 94.482 102.221 113.971 -76.980 + 122.533 -95.863 119.603 -77.112 + 94.781 80.055 180.000 180.000 + 130.466 -68.842 128.187 -92.272 + 118.603-107.703 110.627-115.361 + 119.409-142.990 110.837-111.360 + 118.875-102.809 126.383-133.695 + 120.019 0.000 117.525 -79.893 + # 181 total E -8.32921E+01 rmsd from N 2.380 %NC 0.60 + 117.018 168.878 143.954 -10.969 + 91.156 81.710 127.966 -14.169 + 93.351 36.961 176.439 178.505 + 92.002 51.700 144.287 -99.620 + 90.566 40.042 115.079-127.885 + 91.910 53.789 128.689 36.049 + 90.670 40.778 142.766-144.969 + 91.990 68.874 133.284-133.902 + 93.570-101.274 136.123-136.800 + 134.002 -73.971 180.000 180.000 + 126.714 -48.747 180.000 180.000 + 92.788 61.661 97.203 -80.354 + 93.661 85.584 113.578 -76.904 + 124.807 -99.035 115.979 -82.120 + 96.009 64.883 180.000 180.000 + 131.591 -90.554 152.874 -44.861 + 120.377-113.114 104.897-105.850 + 116.814-141.116 124.079-129.512 + 117.110-108.798 134.328-144.093 + 120.834 0.000 119.139 -80.462 + # 182 total E -8.71923E+01 rmsd from N 2.381 %NC 0.53 + 116.267 175.787 114.058 -81.076 + 91.700 81.008 135.332 -27.496 + 92.989 35.935 172.615 13.780 + 91.915 49.758 142.460 -92.465 + 90.226 41.595 116.239-124.054 + 90.674 50.064 163.456 31.065 + 90.722 45.319 136.635-174.952 + 92.163 76.122 137.070-129.040 + 90.272 -65.152 131.915-137.693 + 102.453 -65.980 180.000 180.000 + 97.989 -32.180 180.000 180.000 + 93.037 105.083 139.090-167.132 + 94.488 102.055 113.848 -76.999 + 122.286 -95.893 119.405 -77.048 + 94.802 80.182 180.000 180.000 + 130.484 -68.489 128.177 -92.379 + 118.584-107.883 110.186-114.807 + 119.403-142.952 110.893-111.468 + 118.692-102.732 126.878-134.449 + 119.932 0.000 117.335 -79.781 + # 183 total E -8.74168E+01 rmsd from N 2.381 %NC 0.53 + 116.751 169.622 145.072 -10.821 + 91.412 79.626 135.348 -26.483 + 93.151 35.183 172.517 14.362 + 91.937 50.024 142.699 -92.991 + 90.186 41.547 114.708-125.188 + 90.652 50.226 163.472 29.048 + 90.703 45.140 136.730-174.096 + 92.178 76.144 136.946-129.349 + 90.281 -64.829 131.952-137.183 + 102.532 -66.267 180.000 180.000 + 97.997 -32.112 180.000 180.000 + 93.039 104.915 139.285-167.669 + 94.509 102.260 113.868 -77.083 + 122.354 -95.820 119.520 -77.024 + 94.765 80.146 180.000 180.000 + 130.485 -68.834 128.250 -92.525 + 118.587-107.649 110.643-115.330 + 119.367-143.081 110.758-111.403 + 118.836-102.491 126.402-133.744 + 120.019 0.000 117.704 -79.446 + # 184 total E -8.74154E+01 rmsd from N 2.382 %NC 0.53 + 116.746 169.818 144.972 -10.941 + 91.416 79.573 135.417 -26.483 + 93.125 35.254 172.479 14.338 + 91.885 50.156 142.598 -92.619 + 90.192 41.444 114.864-125.344 + 90.666 50.283 164.114 29.582 + 90.687 44.964 136.416-174.430 + 92.165 75.906 137.034-129.521 + 90.294 -64.987 131.948-137.175 + 102.598 -66.230 180.000 180.000 + 97.986 -32.070 180.000 180.000 + 93.030 105.126 139.262-167.564 + 94.519 102.195 113.981 -77.148 + 122.476 -95.954 119.849 -76.990 + 94.814 80.153 180.000 180.000 + 130.382 -68.839 128.019 -92.477 + 118.556-107.618 110.630-115.449 + 119.446-142.978 110.778-111.396 + 118.895-102.184 126.190-133.369 + 119.991 0.000 117.626 -80.049 + # 185 total E -8.49716E+01 rmsd from N 2.384 %NC 0.67 + 112.625 157.743 150.313 -37.451 + 91.856 83.070 129.340 -18.668 + 91.617 43.060 103.866 -87.548 + 90.767 44.870 152.951 -96.660 + 90.419 43.778 116.704-125.103 + 91.501 51.286 129.005 43.083 + 90.415 43.018 133.464-142.494 + 91.751 65.625 134.413-139.195 + 94.005-110.034 141.664 -25.622 + 131.889 -70.900 180.000 180.000 + 125.673 -46.835 180.000 180.000 + 92.734 63.471 98.613 -83.122 + 93.462 79.456 134.967-109.511 + 123.988 -97.462 113.754 -81.688 + 96.165 64.360 180.000 180.000 + 133.151 -93.322 154.795 -52.935 + 120.755-113.429 105.394-106.442 + 117.272-139.827 124.389-129.722 + 116.017-118.441 134.224-144.367 + 121.048 0.000 149.051-104.295 + # 186 total E -8.08731E+01 rmsd from N 2.385 %NC 0.67 + 114.321 165.447 153.314-128.696 + 91.361 69.300 122.143 -32.756 + 93.097 43.898 174.502 169.165 + 91.203 43.316 140.005-100.265 + 90.017 43.065 112.566-117.688 + 90.853 57.599 154.330 -29.322 + 90.351 38.534 150.535 -44.582 + 91.783 67.929 99.520-101.417 + 91.844 -64.785 132.389-126.822 + 114.784 -46.453 180.000 180.000 + 123.576 -62.975 180.000 180.000 + 93.022 66.622 138.765-168.197 + 93.420 129.606 114.822 -77.034 + 111.527 -70.257 134.525-162.614 + 94.968 59.560 180.000 180.000 + 118.707-103.636 117.525-103.122 + 119.370-118.217 116.632-122.074 + 120.146-141.377 115.318-115.809 + 116.613-138.529 116.688-118.359 + 120.276 0.000 147.145-165.637 + # 187 total E -8.43503E+01 rmsd from N 2.385 %NC 0.53 + 93.954 100.598 158.432-153.008 + 91.314 61.223 138.884 -42.764 + 91.368 55.196 176.445 173.414 + 89.845 43.993 136.826 -91.460 + 89.745 47.911 111.213-122.475 + 90.395 63.513 131.616 -91.787 + 90.016 38.874 138.070 168.383 + 91.428 60.451 95.808 -81.602 + 92.500 -71.354 136.789-122.267 + 118.215 -43.934 180.000 180.000 + 119.680 -61.281 180.000 180.000 + 92.631 74.961 103.516 -84.602 + 92.468 125.982 113.213 -76.780 + 94.814 -64.775 118.217 -81.742 + 95.491 77.294 180.000 180.000 + 130.813 -92.028 120.083-120.737 + 120.323-106.324 115.131-120.287 + 113.723-143.357 108.515-110.585 + 116.972-118.305 130.680-144.483 + 121.754 0.000 121.556 -80.697 + # 188 total E -8.64297E+01 rmsd from N 2.388 %NC 0.60 + 116.638 169.331 145.681 -12.161 + 91.466 79.634 136.185 -27.607 + 93.337 34.472 171.556 13.775 + 92.089 50.451 143.003 -92.497 + 90.295 40.757 114.360-125.260 + 90.738 50.699 165.063 32.276 + 90.687 44.081 137.519-174.263 + 92.110 74.491 137.249-130.672 + 90.418 -64.607 133.593-133.816 + 104.127 -66.591 180.000 180.000 + 98.880 -32.514 180.000 180.000 + 92.858 102.395 139.601-167.896 + 93.441 107.232 113.559 -78.173 + 121.652 -98.009 121.909-135.802 + 94.512 76.519 180.000 180.000 + 128.871 -68.158 124.675 -93.392 + 118.550-107.080 111.287-116.142 + 119.196-140.969 110.567-111.115 + 118.816-115.892 123.328-129.633 + 120.772 0.000 145.634-110.588 + # 189 total E -8.32934E+01 rmsd from N 2.389 %NC 0.60 + 116.991 169.034 143.876 -10.551 + 91.140 81.436 128.090 -14.093 + 93.347 36.922 176.440 178.638 + 91.972 51.612 144.232 -99.381 + 90.545 40.082 115.007-127.908 + 91.919 53.835 128.893 36.344 + 90.650 40.798 142.830-145.158 + 91.981 68.688 133.188-133.616 + 93.631-102.316 136.195-136.611 + 134.179 -73.437 180.000 180.000 + 126.550 -48.366 180.000 180.000 + 92.735 62.129 97.310 -80.591 + 93.620 85.074 113.730 -77.012 + 124.518 -99.130 116.256 -82.130 + 96.033 64.572 180.000 180.000 + 131.901 -90.315 152.718 -47.321 + 120.398-112.901 104.828-105.860 + 116.707-140.928 124.301-129.853 + 117.045-108.794 134.504-144.475 + 120.797 0.000 118.983 -80.412 + # 190 total E -8.30536E+01 rmsd from N 2.392 %NC 0.60 + 116.563 177.323 113.336 -80.015 + 91.498 82.262 128.982 -14.998 + 93.238 37.187 176.441 179.774 + 92.009 51.437 143.818 -99.194 + 90.564 40.201 115.754-127.400 + 91.890 53.706 128.902 36.807 + 90.669 40.970 142.785-146.575 + 91.957 68.396 133.185-133.895 + 93.648-102.986 136.191-136.843 + 134.120 -73.684 180.000 180.000 + 126.175 -47.888 180.000 180.000 + 92.688 62.638 97.362 -80.708 + 93.594 84.032 113.429 -76.946 + 124.145 -99.264 115.838 -81.986 + 96.028 64.886 180.000 180.000 + 132.127 -90.306 152.758 -48.244 + 120.454-112.947 104.628-105.558 + 116.565-141.254 124.479-130.255 + 116.955-108.965 134.857-145.181 + 120.965 0.000 119.165 -80.409 + # 191 total E -8.09879E+01 rmsd from N 2.393 %NC 0.67 + 115.766 163.616 146.343 -17.054 + 91.591 83.444 140.334 -14.032 + 93.008 32.941 170.858 11.193 + 92.008 53.234 146.011 -94.606 + 90.567 41.429 116.062-129.489 + 91.318 52.001 128.415 35.092 + 90.708 38.197 143.239-146.271 + 92.165 69.529 134.533-133.671 + 93.216 -93.624 135.322-128.759 + 134.878 -75.993 180.000 180.000 + 132.195 -56.286 180.000 180.000 + 93.031 56.784 97.042 -80.558 + 92.892 85.093 113.816 -76.861 + 126.147 -96.273 112.796 -89.045 + 96.158 67.787 180.000 180.000 + 129.122 -98.024 106.657-122.960 + 119.729-112.455 106.956-108.849 + 116.201-144.060 122.456-127.830 + 116.189-113.505 135.829-148.342 + 120.986 0.000 120.444 -79.961 + # 192 total E -8.26043E+01 rmsd from N 2.393 %NC 0.60 + 116.133 166.970 146.265 -15.609 + 91.543 81.310 138.996 -22.915 + 93.081 34.072 170.056 12.587 + 92.070 52.519 145.325 -93.600 + 90.450 40.562 115.439-127.078 + 91.287 53.012 125.015 35.350 + 90.595 42.073 146.756-151.879 + 91.805 69.292 135.606-134.089 + 93.227 -98.857 137.175-136.218 + 134.461 -74.026 180.000 180.000 + 125.236 -50.001 180.000 180.000 + 92.778 63.062 97.879 -82.341 + 93.703 83.798 135.463-108.757 + 122.115 -98.213 115.345 -81.276 + 96.011 63.849 180.000 180.000 + 132.680 -92.219 151.670 -49.975 + 120.578-112.321 103.650-104.067 + 115.051-146.226 123.591-130.392 + 117.027-112.726 135.511-146.928 + 120.225 0.000 145.936 -84.621 + # 193 total E -8.34384E+01 rmsd from N 2.399 %NC 0.60 + 114.949 174.571 151.813-103.689 + 91.172 75.345 136.141 -26.308 + 90.908 45.166 95.155 -80.841 + 89.416 45.254 144.078 -97.249 + 89.488 45.483 117.714-126.903 + 90.360 50.049 167.074 110.233 + 90.770 41.192 138.025 -52.081 + 92.816 70.598 131.702-134.674 + 91.250 -68.579 132.102-135.536 + 104.306 -62.781 180.000 180.000 + 98.267 -33.344 180.000 180.000 + 92.960 104.172 106.650-102.921 + 93.840 111.406 113.898 -79.209 + 122.140 -97.822 122.094-143.587 + 94.795 74.567 180.000 180.000 + 127.185 -66.750 120.584 -96.228 + 117.838-109.387 110.174-115.182 + 119.255-136.479 110.934-111.199 + 117.858-118.497 122.615-128.658 + 120.891 0.000 147.313-114.868 + # 194 total E -8.33969E+01 rmsd from N 2.400 %NC 0.73 + 116.462 167.530 144.534 -12.672 + 91.250 82.936 129.993 -13.653 + 93.201 37.278 176.444 178.828 + 91.736 51.670 144.233 -99.137 + 90.409 41.202 114.785-129.729 + 91.544 53.486 129.227 38.844 + 90.342 42.004 140.534-149.141 + 91.785 67.824 133.411-138.617 + 93.975-106.185 141.237 -27.242 + 132.271 -71.921 180.000 180.000 + 125.899 -47.340 180.000 180.000 + 92.725 63.039 97.376 -80.891 + 93.656 83.101 113.639 -76.961 + 125.233 -98.464 115.951 -81.745 + 96.134 64.248 180.000 180.000 + 132.248 -91.250 153.355 -51.680 + 120.474-112.612 105.204-106.391 + 116.589-141.377 124.548-130.295 + 117.068-107.914 134.814-144.925 + 120.566 0.000 118.956 -80.296 + # 195 total E -8.20473E+01 rmsd from N 2.400 %NC 0.53 + 116.880 170.023 145.583 -10.101 + 91.379 80.575 138.519 -29.618 + 92.677 39.532 176.433-179.088 + 90.384 50.232 140.667 -96.024 + 89.702 43.892 115.245-130.279 + 90.511 50.577 168.115 101.732 + 90.876 41.218 139.392 -49.433 + 92.909 72.668 132.906-134.418 + 90.949 -69.779 130.269-137.847 + 102.422 -62.061 180.000 180.000 + 96.896 -33.281 180.000 180.000 + 93.254 107.291 106.851 -99.849 + 94.907 105.261 114.093 -77.433 + 121.523 -94.627 119.906 -76.268 + 95.018 78.812 180.000 180.000 + 129.419 -68.291 123.452 -93.172 + 118.020-109.338 109.388-113.994 + 119.206-140.685 111.313-111.803 + 119.216-103.718 124.076-129.844 + 120.263 0.000 117.865 -80.011 + # 196 total E -8.13262E+01 rmsd from N 2.404 %NC 0.60 + 113.246 167.082 148.395-104.338 + 91.509 74.459 136.465 -23.683 + 92.791 38.004 176.434-179.298 + 91.473 48.582 138.825 -97.520 + 90.182 41.961 114.006-126.409 + 90.702 51.255 167.755 36.006 + 90.562 42.883 142.800 -43.415 + 92.294 72.995 133.374-134.828 + 90.501 -66.434 132.510-133.679 + 104.461 -65.560 180.000 180.000 + 98.557 -32.286 180.000 180.000 + 92.856 102.941 108.605-103.235 + 93.516 108.128 113.722 -78.758 + 120.113 -95.678 120.453-137.491 + 94.239 77.039 180.000 180.000 + 129.209 -66.578 123.120 -95.524 + 118.715-106.981 108.593-112.722 + 117.918-140.892 111.294-112.609 + 118.633-106.484 126.722-134.943 + 120.562 0.000 118.763 -80.214 + # 197 total E -7.91759E+01 rmsd from N 2.408 %NC 0.53 + 114.011 165.213 152.461-124.636 + 91.226 69.941 153.741-117.613 + 90.049 46.748 122.890 -40.043 + 89.535 48.363 145.273 -96.670 + 89.367 48.119 121.033-125.976 + 90.543 51.347 124.855 37.598 + 90.173 42.358 144.685-117.225 + 91.927 68.091 130.116-136.935 + 93.323-100.629 140.931-119.519 + 134.407 -73.235 180.000 180.000 + 124.590 -47.513 180.000 180.000 + 92.752 64.713 97.258 -81.085 + 94.076 82.175 113.381 -77.005 + 124.781 -96.709 117.937 -80.813 + 96.174 60.114 180.000 180.000 + 130.290 -98.753 150.323 -41.674 + 120.117-109.819 112.233-115.385 + 117.915-138.733 123.098-126.561 + 117.440-118.829 125.343-129.919 + 120.972 0.000 147.417-114.033 + # 198 total E -8.37067E+01 rmsd from N 2.412 %NC 0.60 + 111.132 156.692 151.962 -46.893 + 92.108 79.225 126.907 -32.044 + 92.894 36.954 95.602 -79.725 + 92.857 47.338 149.870 -95.082 + 90.908 38.653 116.606-119.348 + 91.855 52.275 130.998 -32.497 + 90.654 42.122 137.445-150.801 + 92.158 70.591 137.503-134.449 + 91.037 -65.255 138.139-133.444 + 111.450 -71.672 180.000 180.000 + 102.645 -22.763 180.000 180.000 + 93.115 100.190 104.118-100.584 + 93.596 110.330 114.217 -77.568 + 125.180-113.975 132.534-130.745 + 95.288 83.711 180.000 180.000 + 133.375 -72.315 125.947-106.908 + 117.615-107.251 116.077-123.188 + 121.168-135.951 110.480-108.478 + 118.446-118.493 118.821-122.554 + 121.822 0.000 121.571 -81.034 + # 199 total E -8.69920E+01 rmsd from N 2.414 %NC 0.60 + 116.544 169.862 144.933 -10.839 + 91.431 79.244 135.573 -26.780 + 93.231 34.513 172.335 14.011 + 92.059 50.670 142.795 -92.874 + 90.253 40.933 114.852-125.459 + 90.704 50.621 164.478 30.347 + 90.662 44.064 137.343-173.047 + 92.156 74.808 137.128-130.524 + 90.407 -64.141 134.022-133.756 + 104.041 -66.926 180.000 180.000 + 98.842 -32.447 180.000 180.000 + 92.860 102.579 139.367-167.708 + 93.412 107.022 113.554 -78.161 + 121.743 -98.066 122.331-135.371 + 94.447 76.625 180.000 180.000 + 128.949 -67.656 124.902 -93.738 + 118.451-106.988 111.123-115.903 + 119.369-142.641 110.636-111.255 + 119.139-102.156 124.383-131.014 + 120.007 0.000 117.587 -80.067 + # 200 total E -8.69930E+01 rmsd from N 2.414 %NC 0.60 + 116.759 169.438 145.166 -11.338 + 91.448 79.629 135.494 -27.051 + 93.242 34.505 172.372 14.069 + 92.045 50.795 143.012 -92.747 + 90.250 40.868 114.876-125.657 + 90.700 50.692 164.625 31.385 + 90.680 44.020 137.388-172.816 + 92.139 74.894 137.192-130.489 + 90.399 -64.141 133.758-134.057 + 103.957 -66.765 180.000 180.000 + 98.665 -32.365 180.000 180.000 + 92.899 102.618 139.386-167.646 + 93.462 107.131 113.650 -77.968 + 121.636 -97.971 121.640-135.899 + 94.493 76.467 180.000 180.000 + 129.039 -67.499 124.695 -93.615 + 118.434-107.114 111.126-116.067 + 119.358-142.571 110.658-111.185 + 119.167-102.231 124.192-130.653 + 120.028 0.000 117.317 -79.980 diff --git a/examples/unres/CSA/GAB/CSA/local/1l2y_csa.CSA.seed b/examples/unres/CSA/GAB/CSA/local/1l2y_csa.CSA.seed new file mode 100644 index 0000000..9c6c7aa --- /dev/null +++ b/examples/unres/CSA/GAB/CSA/local/1l2y_csa.CSA.seed @@ -0,0 +1,5 @@ + 1 2 21741 90 -87.089 127 -87.363 145 -87.703 161 -88.932 12 -89.530 + 74 -89.214 197 -89.813 120 -88.854 26 -88.680 82 -89.192 + 81 -88.613 92 -88.388 93 -88.915 89 -88.983 193 -88.896 + 78 -89.647 11 -88.501 164 -88.369 67 -88.306 107 -88.224 + diff --git a/examples/unres/CSA/GAB/CSA/local/1l2y_csa.inp b/examples/unres/CSA/GAB/CSA/local/1l2y_csa.inp new file mode 100644 index 0000000..f9fe11f --- /dev/null +++ b/examples/unres/CSA/GAB/CSA/local/1l2y_csa.inp @@ -0,0 +1,18 @@ +1l2y +SEED=-3059743 CSA MINIMIZE RESCALE_MODE=0 OVERLAP NOSEARCHSC +MAXMIN=3000 MAXFUN=1000 +NCONF=200 NSTMAX=300000 N1=5 N2=5 N6=10 N3=0 N4=0 N8=0 IS1=1 IS2=25 NSEED=20 & +NTOTAL=10000 CUT1=2.0 CUT2=5.0 ESTOP=-900000.0 IRESTART=0 NCONF_IN=0 & +DELE=30.0 DIFCUT=720.0 IREF=1 RMSCUT=3.5 IZ_SC=1 PNCCUT=0.0 & +ICMAX=1 IUCUT=2 NBANKM=200 +WLONG=1.35279 WSCP=1.59304 WELEC=0.71534 WBOND=1.00000 WANG=1.13873 & +WSCLOC=0.16258 WTOR=1.98599 WTORD=1.57069 WCORRH=0.42887 WCORR5=0.00000 & +WCORR6=0.00000 WEL_LOC=0.16036 WTURN3=1.68722 WTURN4=0.66230 WTURN6=0.00000 & +WVDWPP=0.11371 WHPB=1.00000 WSCCOR=0.00000 & +WDFAD=0.0 WDFAT=0.0 WDFAN=0.0 WDFAB=0.0 & +CUTOFF=7.00000 WCORR4=0.00000 +22 + D ASN LEU TYR ILE GLN TRP LEU LYS ASP GLY GLY PRO SER SER GLY ARG PRO PRO PRO + SER D +0 +0 diff --git a/examples/unres/CSA/GAB/CSA/local/1l2y_csa.intin b/examples/unres/CSA/GAB/CSA/local/1l2y_csa.intin new file mode 100644 index 0000000..e69de29 diff --git a/examples/unres/CSA/GAB/CSA/local/1l2y_csa.out_GB000 b/examples/unres/CSA/GAB/CSA/local/1l2y_csa.out_GB000 new file mode 100644 index 0000000..c841e4a --- /dev/null +++ b/examples/unres/CSA/GAB/CSA/local/1l2y_csa.out_GB000 @@ -0,0 +1,30228 @@ +-------------------------------------------------------------------------------- + FILE ASSIGNMENT +-------------------------------------------------------------------------------- + Input file : 1l2y_csa.inp + Output file : 1l2y_csa.out_GB000 + + Sidechain potential file : + /users/bartek/UNRESPACK/unres/PARAM/sc_GB_opt.1gab_3S_qclass5no310-shan2-sc-16- + 10-8k + SCp potential file : /users/bartek/UNRESPACK/unres/PARAM/scp.parm + Electrostatic potential file : + /users/bartek/UNRESPACK/unres/PARAM/electr_631Gdp.parm + Cumulant coefficient file : + /users/bartek/UNRESPACK/unres/PARAM/fourier_opt.parm.1igd_hc_iter3_3 + Torsional parameter file : + /users/bartek/UNRESPACK/unres/PARAM/torsion_631Gdp.parm + Double torsional parameter file : + /users/bartek/UNRESPACK/unres/PARAM/torsion_double_631Gdp.parm + SCCOR parameter file : /users/bartek/UNRESPACK/unres/PARAM/rotcorr_AM1.parm + Bond & inertia constant file : /users/bartek/UNRESPACK/unres/PARAM/bond.parm + Bending parameter file : + /users/bartek/UNRESPACK/unres/PARAM/thetaml.5parm + Rotamer parameter file : + /users/bartek/UNRESPACK/unres/PARAM/scgauss.parm + Threading database : + /users/bartek/UNRESPACK/unres/PARAM/patterns.cart +-------------------------------------------------------------------------------- +******************************************************************************** +United-residue force field calculation - parallel job. +******************************************************************************** + ### LAST MODIFIED 11/03/09 1:19PM by czarek + ++++ Compile info ++++ + Version CSA and DFA only + +Potential is GB , exponents are 6 12 + +Disulfide bridge parameters: +S-S bridge energy: -5.50 +d0cm: 3.78 akcm: 15.10 +akth: 11.00 akct: 12.00 +v1ss: -1.08 v2ss: 7.61 v3ss: 13.70 + MPI: node= 0 iseed= -3059742 + ran_num 0.273754117333397 +RMSDBC = 3.0 +RMSDBC1 = 0.5 +RMSDBC1MAX = 1.5 +DRMS = 0.1 +RMSDBCM = 3.0 +Time limit (min): 960.0 + RESCALE_MODE 0 +Library routine used to diagonalize matrices. + +******************************************************************************** + Options in energy minimization: +******************************************************************************** +MaxMin: 3000 MaxFun: 1000MinMin: 3000 MinFun: 3000 TolF: 1.00000E-02 RTolF: 1.00000E-04 + NCONF_IN 0 + +Energy-term weights (unscaled): + +WSCC= 1.352790 (SC-SC) +WSCP= 1.593040 (SC-p) +WELEC= 0.715340 (p-p electr) +WVDWPP= 0.113710 (p-p VDW) +WBOND= 1.000000 (stretching) +WANG= 1.138730 (bending) +WSCLOC= 0.162580 (SC local) +WTOR= 1.985990 (torsional) +WTORD= 1.570690 (double torsional) +WSTRAIN= 1.000000 (SS bridges & dist. cnstr.) +WEL_LOC= 0.160360 (multi-body 3-rd order) +WCORR4= 0.428870 (multi-body 4th order) +WCORR5= 0.000000 (multi-body 5th order) +WCORR6= 0.000000 (multi-body 6th order) +WSCCOR= 0.000000 (back-scloc correlation) +WTURN3= 1.687220 (turns, 3rd order) +WTURN4= 0.662300 (turns, 4th order) +WTURN6= 0.000000 (turns, 6th order) +WDFA_D= 0.000000 (DFA, distance) +WDFA_T= 0.000000 (DFA, torsional) +WDFA_N= 0.000000 (DFA, number of neighbor) +WDFA_B= 0.000000 (DFA, beta formation) + +Hydrogen-bonding correlation between contact pairs of peptide groups + +Scaling factor of 1,4 SC-p interactions: 0.400 +General scaling factor of SC-p interactions: 1.000 + +Energy-term weights (scaled): + +WSCC= 1.352790 (SC-SC) +WSCP= 1.593040 (SC-p) +WELEC= 0.715340 (p-p electr) +WVDWPP= 0.113710 (p-p VDW) +WBOND= 1.000000 (stretching) +WANG= 1.138730 (bending) +WSCLOC= 0.162580 (SC local) +WTOR= 1.985990 (torsional) +WTORD= 1.570690 (double torsional) +WSTRAIN= 1.000000 (SS bridges & dist. cnstr.) +WEL_LOC= 0.160360 (multi-body 3-rd order) +WCORR4= 0.428870 (multi-body 4th order) +WCORR5= 0.000000 (multi-body 5th order) +WCORR6= 0.000000 (multi-body 6th order) +WSCCOR= 0.000000 (back-scloc correlatkion) +WTURN3= 1.687220 (turns, 3rd order) +WTURN4= 0.662300 (turns, 4th order) +WTURN6= 0.000000 (turns, 6th order) +WDFA_D= 0.000000 (DFA, distance) +WDFA_T= 0.000000 (DFA, torsional) +WDFA_N= 0.000000 (DFA, number of neighbor) +WDFA_B= 0.000000 (DFA, beta formation) + Reference temperature for weights calculation: 300.000000000000 + Parameters of the SS-bond potential: + D0CM 3.78000000000000 AKCM 15.1000000000000 AKTH + 11.0000000000000 AKCT 12.0000000000000 + V1SS -1.08000000000000 V2SS 7.61000000000000 V3SS + 13.7000000000000 + EBR -5.50000000000000 + ITEL + 1 21 0 + 2 14 1 + 3 5 1 + 4 8 1 + 5 4 1 + 6 13 1 + 7 7 1 + 8 5 1 + 9 19 1 + 10 16 1 + 11 10 1 + 12 10 2 + 13 20 1 + 14 12 1 + 15 12 1 + 16 10 1 + 17 18 2 + 18 20 2 + 19 20 2 + 20 20 1 + 21 12 0 + ns= 0 iss: +Boundaries in phi angle sampling: +D 1 -180.0 180.0 +ASN 2 -180.0 180.0 +LEU 3 -180.0 180.0 +TYR 4 -180.0 180.0 +ILE 5 -180.0 180.0 +GLN 6 -180.0 180.0 +TRP 7 -180.0 180.0 +LEU 8 -180.0 180.0 +LYS 9 -180.0 180.0 +ASP 10 -180.0 180.0 +GLY 11 -180.0 180.0 +GLY 12 -180.0 180.0 +PRO 13 -180.0 180.0 +SER 14 -180.0 180.0 +SER 15 -180.0 180.0 +GLY 16 -180.0 180.0 +ARG 17 -180.0 180.0 +PRO 18 -180.0 180.0 +PRO 19 -180.0 180.0 +PRO 20 -180.0 180.0 +SER 21 -180.0 180.0 +D 22 -180.0 180.0 + NZ_START= 2 NZ_END= 21 + IZ_SC= 0 + +Geometry of the virtual chain. + Res d Theta Gamma Dsc Alpha Beta +D 1 0.000 0.000 0.000 0.000 0.000 0.000 +ASN 2 3.800 0.000 0.000 1.684 0.000 0.000 +LEU 3 3.800 0.000 0.000 1.939 0.000 0.000 +TYR 4 3.800 0.000 0.000 2.484 0.000 0.000 +ILE 5 3.800 0.000 0.000 1.776 0.000 0.000 +GLN 6 3.800 0.000 0.000 2.240 0.000 0.000 +TRP 7 3.800 0.000 0.000 2.605 0.000 0.000 +LEU 8 3.800 0.000 0.000 1.939 0.000 0.000 +LYS 9 3.800 0.000 0.000 2.541 0.000 0.000 +ASP 10 3.800 0.000 0.000 1.709 0.000 0.000 +GLY 11 3.800 0.000 0.000 0.000 0.000 0.000 +GLY 12 3.800 0.000 0.000 0.000 0.000 0.000 +PRO 13 3.800 0.000 0.000 1.345 0.000 0.000 +SER 14 3.800 0.000 0.000 1.150 0.000 0.000 +SER 15 3.800 0.000 0.000 1.150 0.000 0.000 +GLY 16 3.800 0.000 0.000 0.000 0.000 0.000 +ARG 17 3.800 0.000 0.000 3.020 0.000 0.000 +PRO 18 3.800 0.000 0.000 1.345 0.000 0.000 +PRO 19 3.800 0.000 0.000 1.345 0.000 0.000 +PRO 20 3.800 0.000 0.000 1.345 0.000 0.000 +SER 21 3.800 0.000 0.000 1.150 0.000 0.000 +D 22 3.800 0.000 0.000 0.000 0.000 0.000 + + +******************************************************************************** + Processor 0: end reading molecular data. +******************************************************************************** + + +CSA calculations calculation. + +Conformations will be energy-minimized. +******************************************************************************** + + + # of groups: 37 + 1 2 1 2 1 2 2 1 + 2 2 1 3 1 2 3 1 + 3 2 1 4 1 2 4 1 + 4 2 1 5 1 2 5 1 + 5 2 1 6 1 2 6 1 + 6 2 1 7 1 2 7 1 + 7 2 1 8 1 2 8 1 + 8 2 1 9 1 2 9 1 + 9 2 1 10 1 2 10 1 + 10 2 1 11 1 2 11 1 + 11 2 1 12 1 2 12 1 + 12 2 1 13 1 2 13 1 + 13 2 1 14 1 2 14 1 + 14 2 1 15 1 2 15 1 + 15 2 1 16 1 2 16 1 + 16 2 1 17 1 2 17 1 + 17 2 1 18 1 2 18 1 + 18 2 1 19 1 2 19 1 + 19 2 1 20 1 2 20 1 + 20 1 1 21 1 + 21 2 3 2 1 4 2 1 + 22 2 3 3 1 4 3 1 + 23 2 3 4 1 4 4 1 + 24 2 3 5 1 4 5 1 + 25 2 3 6 1 4 6 1 + 26 2 3 7 1 4 7 1 + 27 2 3 8 1 4 8 1 + 28 2 3 9 1 4 9 1 + 29 2 3 10 1 4 10 1 + 30 2 3 13 1 4 13 1 + 31 2 3 14 1 4 14 1 + 32 2 3 15 1 4 15 1 + 33 2 3 17 1 4 17 1 + 34 2 3 18 1 4 18 1 + 35 2 3 19 1 4 19 1 + 36 2 3 20 1 4 20 1 + 37 2 3 21 1 4 21 1 + +Geometry of the virtual chain. + Res d Theta Gamma Dsc Alpha Beta +D 1 0.000 0.000 0.000 0.000 0.000 0.000 +ASN 2 3.800 0.000 0.000 1.684 90.531 -178.452 +LEU 3 3.800 92.239 0.000 1.939 101.575 -78.530 +TYR 4 3.800 92.239 -180.000 2.484 163.195 -7.440 +ILE 5 3.800 90.357 45.849 1.776 148.228 -110.333 +GLN 6 3.800 89.090 55.194 2.240 164.593 -141.638 +TRP 7 3.800 88.657 49.396 2.605 123.650 -21.913 +LEU 8 3.800 93.032 48.298 1.939 156.202 -108.750 +LYS 9 3.800 94.826 46.843 2.541 106.974 -55.960 +ASP 10 3.800 87.966 59.623 1.709 153.447 -128.646 +GLY 11 3.800 89.908 56.679 0.000 180.000 180.000 +GLY 12 3.800 100.180 -87.304 0.000 180.000 180.000 +PRO 13 3.800 109.073 -127.499 1.345 101.771 -115.580 +SER 14 3.800 89.537 4.261 1.150 144.515 -129.218 +SER 15 3.800 91.815 66.108 1.150 161.047 -100.177 +GLY 16 3.800 101.784 70.140 0.000 180.000 180.000 +ARG 17 3.800 92.201 -108.949 3.020 139.845 -132.716 +PRO 18 3.800 133.225 103.824 1.345 115.610 -118.024 +PRO 19 3.800 121.502 -122.526 1.345 118.575 -122.417 +PRO 20 3.800 117.950 -90.285 1.345 118.959 -126.207 +SER 21 3.800 114.201 -108.328 1.150 128.925 -37.342 +D 22 3.800 114.201 180.000 0.000 0.000 0.000 +Contact map: + 1 ILE 5 ASN 2 + 2 TRP 7 TYR 4 + 3 LEU 8 TYR 4 + 4 LEU 8 ILE 5 + 5 LYS 9 GLN 6 + 6 GLY 12 TRP 7 + 7 GLY 12 LEU 8 + 8 SER 14 GLY 11 + 9 SER 15 ASP 10 + 10 SER 15 GLY 11 + 11 SER 15 GLY 12 + 12 PRO 19 TRP 7 + 13 PRO 20 LEU 3 + 14 PRO 20 TYR 4 + 15 PRO 20 TRP 7 + NCONF_IN 0 + +Geometry of the virtual chain. + Res d Theta Gamma Dsc Alpha Beta +D 1 0.000 0.000 0.000 0.000 0.000 0.000 +ASN 2 3.800 0.000 0.000 1.684 90.531 -178.452 +LEU 3 3.800 92.239 0.000 1.939 101.575 -78.530 +TYR 4 3.800 92.239 -180.000 2.484 163.195 -7.440 +ILE 5 3.800 90.357 45.849 1.776 148.228 -110.333 +GLN 6 3.800 89.090 55.194 2.240 164.593 -141.638 +TRP 7 3.800 88.657 49.396 2.605 123.650 -21.913 +LEU 8 3.800 93.032 48.298 1.939 156.202 -108.750 +LYS 9 3.800 94.826 46.843 2.541 106.974 -55.960 +ASP 10 3.800 87.966 59.623 1.709 153.447 -128.646 +GLY 11 3.800 89.908 56.679 0.000 180.000 180.000 +GLY 12 3.800 100.180 -87.304 0.000 180.000 180.000 +PRO 13 3.800 109.073 -127.499 1.345 101.771 -115.580 +SER 14 3.800 89.537 4.261 1.150 144.515 -129.218 +SER 15 3.800 91.815 66.108 1.150 161.047 -100.177 +GLY 16 3.800 101.784 70.140 0.000 180.000 180.000 +ARG 17 3.800 92.201 -108.949 3.020 139.845 -132.716 +PRO 18 3.800 133.225 103.824 1.345 115.610 -118.024 +PRO 19 3.800 121.502 -122.526 1.345 118.575 -122.417 +PRO 20 3.800 117.950 -90.285 1.345 118.959 -126.207 +SER 21 3.800 114.201 -108.328 1.150 128.925 -37.342 +D 22 3.800 114.201 180.000 0.000 0.000 0.000 +Contact map: + 1 ILE 5 ASN 2 + 2 TRP 7 TYR 4 + 3 LEU 8 TYR 4 + 4 LEU 8 ILE 5 + 5 LYS 9 GLN 6 + 6 GLY 12 TRP 7 + 7 GLY 12 LEU 8 + 8 SER 14 GLY 11 + 9 SER 15 ASP 10 + 10 SER 15 GLY 11 + 11 SER 15 GLY 12 + 12 PRO 19 TRP 7 + 13 PRO 20 LEU 3 + 14 PRO 20 TYR 4 + 15 PRO 20 TRP 7 + Exitted from make_ranvar nconfr= 400 + Initial conformation 1 + 92.2388 92.2388 90.3570 89.0899 88.6572 93.0319 94.8258 87.9664 + 89.9076 100.1805 109.0732 89.5374 91.8151 101.7839 92.2014 133.2247 + 121.5017 117.9501 114.2013 114.2013 + -180.0000 45.8488 55.1936 49.3961 48.2980 46.8430 59.6233 56.6787 + -87.3042 -127.4990 4.2610 66.1079 70.1396 -108.9488 103.8242 -122.5265 + -90.2854 -108.3282 180.0000 0.0000 + 90.5307 101.5748 163.1951 148.2278 164.5930 123.6495 156.2016 106.9744 + 153.4470 180.0000 180.0000 101.7709 144.5146 161.0471 180.0000 139.8455 + 115.6096 118.5749 118.9588 128.9250 + -178.4521 -78.5297 -7.4402 -110.3334 -141.6382 -21.9127 -108.7501 -55.9598 + -128.6458 180.0000 180.0000 -115.5797 -129.2177 -100.1770 180.0000 -132.7159 + -118.0237 -122.4174 -126.2067 -37.3415 + Initial conformation 2 + 92.2388 92.2388 90.3570 89.0899 88.6572 93.0319 94.8258 87.9664 + 89.9076 100.1805 109.0732 89.5374 91.8151 101.7839 92.2014 133.2247 + 121.5017 117.9501 114.2013 114.2013 + -180.0000 45.8488 55.1936 49.3961 48.2980 46.8430 59.6233 56.6787 + -87.3042 -127.4990 4.2610 66.1079 70.1396 -108.9488 103.8242 -122.5265 + -90.2854 -108.3282 180.0000 0.0000 + 148.2416 149.3713 158.7103 140.0049 132.6259 174.9730 150.3101 156.6123 + 141.5243 180.0000 180.0000 119.3736 105.7230 139.0975 180.0000 141.9556 + 121.9603 125.1933 112.2180 134.8676 + -4.2605 -129.1499 -174.4773 -81.0926 -96.8219 169.9028 -139.1493 -158.3452 + -139.3289 180.0000 180.0000 -110.3638 -73.9960 -31.9517 180.0000 -119.2161 + -125.7722 -139.1053 -113.8133 -94.1094 + Initial conformation 3 + 92.2388 92.2388 90.3570 89.0899 88.6572 93.0319 94.8258 87.9664 + 89.9076 100.1805 109.0732 89.5374 91.8151 101.7839 92.2014 133.2247 + 121.5017 117.9501 114.2013 114.2013 + -180.0000 45.8488 55.1936 49.3961 48.2980 46.8430 59.6233 56.6787 + -87.3042 -127.4990 4.2610 66.1079 70.1396 -108.9488 103.8242 -122.5265 + -90.2854 -108.3282 180.0000 0.0000 + 144.5531 145.9902 141.6593 145.9871 136.5850 121.1149 149.1198 137.2583 + 104.8506 180.0000 180.0000 101.8153 161.7943 137.7086 180.0000 99.9696 + 124.9349 128.5556 124.2578 105.6686 + -129.2131 -105.7532 172.3421 -77.3986 -79.5306 127.3134 -26.2908 -16.6577 + -70.4377 180.0000 180.0000 -102.6206 -94.4876 -39.1977 180.0000 -41.3113 + -127.7857 -142.6980 -130.6299 -73.7209 + Initial conformation 4 + 92.2388 92.2388 90.3570 89.0899 88.6572 93.0319 94.8258 87.9664 + 89.9076 100.1805 109.0732 89.5374 91.8151 101.7839 92.2014 133.2247 + 121.5017 117.9501 114.2013 114.2013 + -180.0000 45.8488 55.1936 49.3961 48.2980 46.8430 59.6233 56.6787 + -87.3042 -127.4990 4.2610 66.1079 70.1396 -108.9488 103.8242 -122.5265 + -90.2854 -108.3282 180.0000 0.0000 + 137.2930 135.9987 143.7530 143.8751 127.4231 149.8148 168.2943 146.2640 + 134.7809 180.0000 180.0000 94.3847 103.5950 155.9213 180.0000 123.5370 + 118.4491 132.0592 123.0093 153.6826 + -92.1641 -145.6160 -0.7672 -78.2440 -80.9523 122.4461 -133.0737 -135.6250 + -115.5976 180.0000 180.0000 -102.9862 -66.4386 -99.7198 180.0000 -97.7497 + -127.7528 -138.7375 -127.4487 -106.7471 + Initial conformation 5 + 92.2388 92.2388 90.3570 89.0899 88.6572 93.0319 94.8258 87.9664 + 89.9076 100.1805 109.0732 89.5374 91.8151 101.7839 92.2014 133.2247 + 121.5017 117.9501 114.2013 114.2013 + -180.0000 45.8488 55.1936 49.3961 48.2980 46.8430 59.6233 56.6787 + -87.3042 -127.4990 4.2610 66.1079 70.1396 -108.9488 103.8242 -122.5265 + -90.2854 -108.3282 180.0000 0.0000 + 153.7361 159.2672 151.2024 139.9000 134.1426 143.1491 148.6458 142.5203 + 130.4656 180.0000 180.0000 109.3229 176.5272 100.3067 180.0000 129.2605 + 114.8030 126.5391 131.3514 140.6292 + -163.4952 -47.3775 164.5366 -91.4569 -67.6914 23.1596 -17.0384 -130.7487 + -108.5653 180.0000 180.0000 -126.3122 178.2512 -73.9119 180.0000 14.9181 + -117.6342 -128.9187 -136.3639 -119.6024 + Initial conformation 6 + 92.2388 92.2388 90.3570 89.0899 88.6572 93.0319 94.8258 87.9664 + 89.9076 100.1805 109.0732 89.5374 91.8151 101.7839 92.2014 133.2247 + 121.5017 117.9501 114.2013 114.2013 + -180.0000 45.8488 55.1936 49.3961 48.2980 46.8430 59.6233 56.6787 + -87.3042 -127.4990 4.2610 66.1079 70.1396 -108.9488 103.8242 -122.5265 + -90.2854 -108.3282 180.0000 0.0000 + 138.5424 172.9673 134.6487 141.0017 139.3254 151.2881 164.0108 143.7159 + 147.0803 180.0000 180.0000 89.0787 170.6751 143.1643 180.0000 141.0733 + 115.8238 117.7602 123.3232 150.6147 + -116.9064 160.9233 -169.7981 -98.5051 -133.5553 -178.9148 -166.4642 -102.0140 + -107.0661 180.0000 180.0000 -116.9430 -125.7538 -14.4185 180.0000 -91.2380 + -124.4609 -120.3636 -129.8687 -32.8895 + Initial conformation 7 + 92.2388 92.2388 90.3570 89.0899 88.6572 93.0319 94.8258 87.9664 + 89.9076 100.1805 109.0732 89.5374 91.8151 101.7839 92.2014 133.2247 + 121.5017 117.9501 114.2013 114.2013 + -180.0000 45.8488 55.1936 49.3961 48.2980 46.8430 59.6233 56.6787 + -87.3042 -127.4990 4.2610 66.1079 70.1396 -108.9488 103.8242 -122.5265 + -90.2854 -108.3282 180.0000 0.0000 + 155.9665 141.8408 145.8820 153.0806 134.3038 138.4121 161.8156 147.7115 + 141.4625 180.0000 180.0000 107.7657 170.1815 128.3312 180.0000 156.8963 + 123.3496 117.8565 119.8872 140.2454 + -149.6628 -14.3320 -165.0972 -75.0960 -162.3301 141.1464 -152.9975 -142.0209 + -154.6768 180.0000 180.0000 -119.5148 -104.3943 -74.2907 180.0000 157.0390 + -136.4061 -121.2151 -115.7013 -71.3548 + Initial conformation 8 + 92.2388 92.2388 90.3570 89.0899 88.6572 93.0319 94.8258 87.9664 + 89.9076 100.1805 109.0732 89.5374 91.8151 101.7839 92.2014 133.2247 + 121.5017 117.9501 114.2013 114.2013 + -180.0000 45.8488 55.1936 49.3961 48.2980 46.8430 59.6233 56.6787 + -87.3042 -127.4990 4.2610 66.1079 70.1396 -108.9488 103.8242 -122.5265 + -90.2854 -108.3282 180.0000 0.0000 + 149.9137 144.3004 148.3717 137.7537 162.6248 164.0189 163.6790 139.0500 + 146.0691 180.0000 180.0000 85.2903 139.4001 147.3713 180.0000 132.5362 + 125.8523 115.8326 119.6346 130.4459 + -114.2504 -108.4820 11.8830 -96.0673 -158.8436 144.3233 -18.4757 -88.9804 + -117.0305 180.0000 180.0000 -129.2424 -85.4807 -124.3921 180.0000 -165.4886 + -133.9262 -124.2526 -121.9434 8.3181 + Initial conformation 9 + 92.2388 92.2388 90.3570 89.0899 88.6572 93.0319 94.8258 87.9664 + 89.9076 100.1805 109.0732 89.5374 91.8151 101.7839 92.2014 133.2247 + 121.5017 117.9501 114.2013 114.2013 + -180.0000 45.8488 55.1936 49.3961 48.2980 46.8430 59.6233 56.6787 + -87.3042 -127.4990 4.2610 66.1079 70.1396 -108.9488 103.8242 -122.5265 + -90.2854 -108.3282 180.0000 0.0000 + 151.3723 156.5359 147.1896 128.4022 143.9336 141.7353 164.8411 165.3959 + 133.7904 180.0000 180.0000 97.4348 109.2474 128.5609 180.0000 129.0871 + 122.1897 121.9778 117.7228 118.9306 + -124.6280 -105.5060 0.3902 -77.7142 106.2645 -6.2350 -157.3715 -118.1754 + -117.2317 180.0000 180.0000 -144.3126 -74.4505 -115.2303 180.0000 -141.7200 + -121.7066 -126.1115 -119.6315 -141.4557 + Initial conformation 10 + 92.2388 92.2388 90.3570 89.0899 88.6572 93.0319 94.8258 87.9664 + 89.9076 100.1805 109.0732 89.5374 91.8151 101.7839 92.2014 133.2247 + 121.5017 117.9501 114.2013 114.2013 + -180.0000 45.8488 55.1936 49.3961 48.2980 46.8430 59.6233 56.6787 + -87.3042 -127.4990 4.2610 66.1079 70.1396 -108.9488 103.8242 -122.5265 + -90.2854 -108.3282 180.0000 0.0000 + 148.5249 162.3822 118.1842 130.9307 154.8982 143.5365 164.3291 122.8426 + 160.0486 180.0000 180.0000 95.5427 165.4466 152.8766 180.0000 139.3831 + 114.7155 123.4049 118.0416 108.3443 + -148.5818 -124.4028 -21.6825 -87.5867 -159.4453 122.8518 -27.9654 -93.0779 + -14.2694 180.0000 180.0000 -97.8360 -99.6072 -137.2538 180.0000 -116.2832 + -121.3370 -128.4909 -113.0069 -63.0162 + Initial conformation 11 + 92.2388 92.2388 90.3570 89.0899 88.6572 93.0319 94.8258 87.9664 + 89.9076 100.1805 109.0732 89.5374 91.8151 101.7839 92.2014 133.2247 + 121.5017 117.9501 114.2013 114.2013 + -180.0000 45.8488 55.1936 49.3961 48.2980 46.8430 59.6233 56.6787 + -87.3042 -127.4990 4.2610 66.1079 70.1396 -108.9488 103.8242 -122.5265 + -90.2854 -108.3282 180.0000 0.0000 + 123.5204 149.2335 144.7034 141.9546 117.7674 160.4114 165.4400 134.7322 + 141.5068 180.0000 180.0000 95.7214 156.2584 99.0790 180.0000 107.8064 + 123.7210 131.5111 122.6945 136.6738 + -86.4581 -88.6768 178.0257 -88.3945 -102.5266 173.0675 -1.9536 -80.1600 + -103.7189 180.0000 180.0000 -96.9980 -63.3240 -71.9914 180.0000 -96.7665 + -124.5779 -139.7714 -124.6476 -76.3701 + Initial conformation 12 + 92.2388 92.2388 90.3570 89.0899 88.6572 93.0319 94.8258 87.9664 + 89.9076 100.1805 109.0732 89.5374 91.8151 101.7839 92.2014 133.2247 + 121.5017 117.9501 114.2013 114.2013 + -180.0000 45.8488 55.1936 49.3961 48.2980 46.8430 59.6233 56.6787 + -87.3042 -127.4990 4.2610 66.1079 70.1396 -108.9488 103.8242 -122.5265 + -90.2854 -108.3282 180.0000 0.0000 + 139.1957 141.8829 155.9051 149.1937 162.4484 112.5962 162.6353 158.9881 + 136.1571 180.0000 180.0000 98.5382 165.0978 139.0524 180.0000 148.7853 + 107.0630 125.3637 104.0340 148.6386 + -120.3676 -144.7472 149.9291 -89.9219 162.0076 -58.6210 -128.7263 -148.1108 + -94.4772 180.0000 180.0000 -124.0879 -82.1555 12.7951 180.0000 -147.7158 + -109.1983 -138.4145 -105.3110 -62.6199 + Initial conformation 13 + 92.2388 92.2388 90.3570 89.0899 88.6572 93.0319 94.8258 87.9664 + 89.9076 100.1805 109.0732 89.5374 91.8151 101.7839 92.2014 133.2247 + 121.5017 117.9501 114.2013 114.2013 + -180.0000 45.8488 55.1936 49.3961 48.2980 46.8430 59.6233 56.6787 + -87.3042 -127.4990 4.2610 66.1079 70.1396 -108.9488 103.8242 -122.5265 + -90.2854 -108.3282 180.0000 0.0000 + 157.7917 163.5811 139.0869 143.0739 148.7403 136.8713 145.0391 138.1334 + 153.6222 180.0000 180.0000 100.8646 138.4124 112.7030 180.0000 135.4498 + 125.7753 124.8359 120.3140 91.7120 + -113.9859 -133.0389 -6.5385 -89.4932 -155.3978 -142.3683 -39.3781 8.7164 + -101.1270 180.0000 180.0000 -109.6133 -130.3154 -64.6382 180.0000 165.2944 + -138.6204 -145.4805 -122.6243 -66.8024 + Initial conformation 14 + 92.2388 92.2388 90.3570 89.0899 88.6572 93.0319 94.8258 87.9664 + 89.9076 100.1805 109.0732 89.5374 91.8151 101.7839 92.2014 133.2247 + 121.5017 117.9501 114.2013 114.2013 + -180.0000 45.8488 55.1936 49.3961 48.2980 46.8430 59.6233 56.6787 + -87.3042 -127.4990 4.2610 66.1079 70.1396 -108.9488 103.8242 -122.5265 + -90.2854 -108.3282 180.0000 0.0000 + 157.8115 154.0303 154.2217 149.0333 136.1012 146.7574 160.3940 139.9120 + 141.9738 180.0000 180.0000 102.9051 139.1010 105.4266 180.0000 125.6301 + 129.1783 119.9133 109.1872 98.8880 + -29.9153 -9.4891 -6.5608 -88.3519 -101.3013 -129.3019 162.5447 -102.2898 + -150.2667 180.0000 180.0000 -114.4250 -83.4472 -64.8082 180.0000 44.9286 + -134.0192 -123.0812 -107.1543 -71.5632 + Initial conformation 15 + 92.2388 92.2388 90.3570 89.0899 88.6572 93.0319 94.8258 87.9664 + 89.9076 100.1805 109.0732 89.5374 91.8151 101.7839 92.2014 133.2247 + 121.5017 117.9501 114.2013 114.2013 + -180.0000 45.8488 55.1936 49.3961 48.2980 46.8430 59.6233 56.6787 + -87.3042 -127.4990 4.2610 66.1079 70.1396 -108.9488 103.8242 -122.5265 + -90.2854 -108.3282 180.0000 0.0000 + 152.0294 155.4747 142.0852 124.4109 111.3741 160.4489 151.9779 173.5177 + 148.0374 180.0000 180.0000 86.6004 113.1173 146.3555 180.0000 170.5181 + 126.5555 120.3309 117.0842 137.8027 + -129.6920 -148.6437 -150.2175 -91.6911 -98.7694 -167.3210 -39.8249 -161.6132 + -88.9185 180.0000 180.0000 -108.2181 -64.0409 -82.9172 180.0000 -106.9037 + -133.4781 -127.1879 -113.3837 -68.6774 + Initial conformation 16 + 92.2388 92.2388 90.3570 89.0899 88.6572 93.0319 94.8258 87.9664 + 89.9076 100.1805 109.0732 89.5374 91.8151 101.7839 92.2014 133.2247 + 121.5017 117.9501 114.2013 114.2013 + -180.0000 45.8488 55.1936 49.3961 48.2980 46.8430 59.6233 56.6787 + -87.3042 -127.4990 4.2610 66.1079 70.1396 -108.9488 103.8242 -122.5265 + -90.2854 -108.3282 180.0000 0.0000 + 150.6323 161.7161 135.9003 126.9626 154.6112 159.3076 150.9875 140.3793 + 154.8538 180.0000 180.0000 95.1724 167.2445 108.9682 180.0000 161.3071 + 120.8054 117.1995 112.9105 160.9287 + 12.2675 -159.0702 -9.9846 -82.0572 -100.6172 21.3881 -143.4327 -123.5949 + -111.7903 180.0000 180.0000 -116.0288 -26.0845 -66.5351 180.0000 -146.4211 + -129.9021 -124.1512 -120.5254 -92.8442 + Initial conformation 17 + 92.2388 92.2388 90.3570 89.0899 88.6572 93.0319 94.8258 87.9664 + 89.9076 100.1805 109.0732 89.5374 91.8151 101.7839 92.2014 133.2247 + 121.5017 117.9501 114.2013 114.2013 + -180.0000 45.8488 55.1936 49.3961 48.2980 46.8430 59.6233 56.6787 + -87.3042 -127.4990 4.2610 66.1079 70.1396 -108.9488 103.8242 -122.5265 + -90.2854 -108.3282 180.0000 0.0000 + 155.0100 153.9367 150.6462 135.5602 136.4935 172.2356 151.3103 115.3394 + 146.9790 180.0000 180.0000 89.4036 169.3614 145.3946 180.0000 156.3949 + 116.6898 129.1727 121.3984 152.1831 + -25.1181 -35.4974 -177.1261 -78.9819 -130.3095 99.4429 -95.3392 -25.7885 + -125.8090 180.0000 180.0000 -108.7215 -64.9811 -80.6352 180.0000 -126.6744 + -121.0963 -131.8029 -124.9525 -142.5047 + Initial conformation 18 + 92.2388 92.2388 90.3570 89.0899 88.6572 93.0319 94.8258 87.9664 + 89.9076 100.1805 109.0732 89.5374 91.8151 101.7839 92.2014 133.2247 + 121.5017 117.9501 114.2013 114.2013 + -180.0000 45.8488 55.1936 49.3961 48.2980 46.8430 59.6233 56.6787 + -87.3042 -127.4990 4.2610 66.1079 70.1396 -108.9488 103.8242 -122.5265 + -90.2854 -108.3282 180.0000 0.0000 + 152.0698 171.0128 135.9837 134.8287 125.8320 160.1182 166.6403 138.6356 + 147.5439 180.0000 180.0000 111.2436 136.9095 150.7670 180.0000 113.5917 + 120.3706 123.4652 123.5810 162.0278 + -102.5260 -3.5820 157.4892 -78.5003 -85.2981 -174.5747 -116.9457 177.5157 + -157.9377 180.0000 180.0000 -98.9878 -36.5371 -62.2334 180.0000 -103.7829 + -126.2999 -129.7201 -126.8201 -78.1239 + Initial conformation 19 + 92.2388 92.2388 90.3570 89.0899 88.6572 93.0319 94.8258 87.9664 + 89.9076 100.1805 109.0732 89.5374 91.8151 101.7839 92.2014 133.2247 + 121.5017 117.9501 114.2013 114.2013 + -180.0000 45.8488 55.1936 49.3961 48.2980 46.8430 59.6233 56.6787 + -87.3042 -127.4990 4.2610 66.1079 70.1396 -108.9488 103.8242 -122.5265 + -90.2854 -108.3282 180.0000 0.0000 + 156.1980 145.0412 139.8062 145.3141 145.3577 153.6035 164.0258 156.8692 + 130.1054 180.0000 180.0000 99.2560 102.3810 137.0158 180.0000 144.8627 + 122.5185 117.5326 110.6357 108.1442 + -134.0955 -105.4692 -178.2319 -81.2079 -78.8348 -29.5977 -95.3421 143.6911 + -62.5240 180.0000 180.0000 -119.8166 -81.9597 -22.8635 180.0000 -55.3513 + -131.1565 -125.5745 -107.0098 -67.0433 + Initial conformation 20 + 92.2388 92.2388 90.3570 89.0899 88.6572 93.0319 94.8258 87.9664 + 89.9076 100.1805 109.0732 89.5374 91.8151 101.7839 92.2014 133.2247 + 121.5017 117.9501 114.2013 114.2013 + -180.0000 45.8488 55.1936 49.3961 48.2980 46.8430 59.6233 56.6787 + -87.3042 -127.4990 4.2610 66.1079 70.1396 -108.9488 103.8242 -122.5265 + -90.2854 -108.3282 180.0000 0.0000 + 152.9350 152.6042 146.7564 130.9904 142.6470 118.4869 163.9399 134.9800 + 141.1947 180.0000 180.0000 118.5202 145.1978 85.3285 180.0000 135.7583 + 124.1062 120.9111 125.0174 159.1284 + 22.1308 -106.5165 169.9741 -64.6012 -88.5575 -60.9371 -154.0972 -80.4819 + -115.1835 180.0000 180.0000 -113.0453 -80.6071 -61.4079 180.0000 -65.9021 + -132.5539 -130.6795 -132.7871 -41.4550 + Initial conformation 21 + 92.2388 92.2388 90.3570 89.0899 88.6572 93.0319 94.8258 87.9664 + 89.9076 100.1805 109.0732 89.5374 91.8151 101.7839 92.2014 133.2247 + 121.5017 117.9501 114.2013 114.2013 + -180.0000 45.8488 55.1936 49.3961 48.2980 46.8430 59.6233 56.6787 + -87.3042 -127.4990 4.2610 66.1079 70.1396 -108.9488 103.8242 -122.5265 + -90.2854 -108.3282 180.0000 0.0000 + 137.2841 167.2705 137.3349 147.9422 138.0949 153.3563 135.5317 145.1275 + 135.5053 180.0000 180.0000 90.9987 154.7653 110.0351 180.0000 132.2514 + 117.4218 118.6680 118.4647 138.7624 + -117.0781 -150.5837 -18.8585 -86.8301 109.0224 21.5300 -99.8336 -117.1021 + -125.6668 180.0000 180.0000 -115.4615 -68.8174 -56.7885 180.0000 -70.1949 + -122.7557 -125.6958 -122.3809 -61.7540 + Initial conformation 22 + 92.2388 92.2388 90.3570 89.0899 88.6572 93.0319 94.8258 87.9664 + 89.9076 100.1805 109.0732 89.5374 91.8151 101.7839 92.2014 133.2247 + 121.5017 117.9501 114.2013 114.2013 + -180.0000 45.8488 55.1936 49.3961 48.2980 46.8430 59.6233 56.6787 + -87.3042 -127.4990 4.2610 66.1079 70.1396 -108.9488 103.8242 -122.5265 + -90.2854 -108.3282 180.0000 0.0000 + 141.2353 150.3477 147.1837 130.4942 132.4113 175.0664 129.7998 158.1217 + 135.5399 180.0000 180.0000 94.6627 164.1077 142.8405 180.0000 156.6468 + 116.2133 117.4767 119.4240 159.3204 + -123.8688 -142.6558 -168.9094 -88.3095 24.1244 156.7961 -121.9951 -147.5983 + -151.6201 180.0000 180.0000 -118.2677 -99.8474 -61.4627 180.0000 -121.0005 + -129.2830 -123.1462 -119.4088 19.6270 + Initial conformation 23 + 92.2388 92.2388 90.3570 89.0899 88.6572 93.0319 94.8258 87.9664 + 89.9076 100.1805 109.0732 89.5374 91.8151 101.7839 92.2014 133.2247 + 121.5017 117.9501 114.2013 114.2013 + -180.0000 45.8488 55.1936 49.3961 48.2980 46.8430 59.6233 56.6787 + -87.3042 -127.4990 4.2610 66.1079 70.1396 -108.9488 103.8242 -122.5265 + -90.2854 -108.3282 180.0000 0.0000 + 148.9120 160.7937 161.1157 135.6624 129.6983 136.7187 158.7590 144.5341 + 114.6193 180.0000 180.0000 96.0629 161.4307 154.4384 180.0000 158.6281 + 117.7275 115.7382 129.0985 130.5530 + -149.7940 -78.2848 166.0944 -75.0850 -147.4363 -6.2552 -34.0194 -160.0621 + -97.5064 180.0000 180.0000 -105.5762 26.3677 -96.7346 180.0000 -176.8953 + -120.4579 -117.1640 -134.1434 -82.6363 + Initial conformation 24 + 92.2388 92.2388 90.3570 89.0899 88.6572 93.0319 94.8258 87.9664 + 89.9076 100.1805 109.0732 89.5374 91.8151 101.7839 92.2014 133.2247 + 121.5017 117.9501 114.2013 114.2013 + -180.0000 45.8488 55.1936 49.3961 48.2980 46.8430 59.6233 56.6787 + -87.3042 -127.4990 4.2610 66.1079 70.1396 -108.9488 103.8242 -122.5265 + -90.2854 -108.3282 180.0000 0.0000 + 158.2605 141.5410 137.7896 137.6578 128.0684 152.3661 147.9223 156.3120 + 138.7688 180.0000 180.0000 112.2653 120.8065 141.6859 180.0000 111.7738 + 125.2594 125.0698 122.8131 131.2041 + -176.5442 -96.5650 -5.5121 -83.7850 -112.2460 83.9989 -24.5786 -34.5875 + -141.9203 180.0000 180.0000 -113.5194 -71.3871 -134.0523 180.0000 -76.5285 + -129.8224 -134.7489 -125.7470 -136.2985 + Initial conformation 25 + 92.2388 92.2388 90.3570 89.0899 88.6572 93.0319 94.8258 87.9664 + 89.9076 100.1805 109.0732 89.5374 91.8151 101.7839 92.2014 133.2247 + 121.5017 117.9501 114.2013 114.2013 + -180.0000 45.8488 55.1936 49.3961 48.2980 46.8430 59.6233 56.6787 + -87.3042 -127.4990 4.2610 66.1079 70.1396 -108.9488 103.8242 -122.5265 + -90.2854 -108.3282 180.0000 0.0000 + 148.0445 161.3469 142.7552 148.1144 119.8730 157.7386 157.4185 132.5064 + 151.8175 180.0000 180.0000 96.7717 127.7419 147.2652 180.0000 153.3390 + 125.1977 123.1854 123.1330 113.6168 + -112.5612 -149.7989 -138.5751 -92.0726 -106.2945 11.4749 -104.1893 -97.9937 + 3.0646 180.0000 180.0000 -111.6620 -121.3817 -58.7716 180.0000 -96.2307 + -133.7011 -130.4703 -133.4103 -121.9386 + Initial conformation 26 + 92.2388 92.2388 90.3570 89.0899 88.6572 93.0319 94.8258 87.9664 + 89.9076 100.1805 109.0732 89.5374 91.8151 101.7839 92.2014 133.2247 + 121.5017 117.9501 114.2013 114.2013 + -180.0000 45.8488 55.1936 49.3961 48.2980 46.8430 59.6233 56.6787 + -87.3042 -127.4990 4.2610 66.1079 70.1396 -108.9488 103.8242 -122.5265 + -90.2854 -108.3282 180.0000 0.0000 + 127.4780 150.8417 134.5020 141.1868 125.1032 155.4595 169.0395 137.1963 + 140.3091 180.0000 180.0000 104.4745 101.5732 97.0916 180.0000 148.6083 + 116.0279 117.4759 115.4800 151.4252 + -144.8939 -2.6796 -0.0039 -93.4312 -152.8115 -150.2614 -164.2170 -103.1173 + -117.8510 180.0000 180.0000 -123.7147 -65.9138 -62.5640 180.0000 -177.6134 + -120.3901 -120.0815 -120.3662 -58.0363 + Initial conformation 27 + 92.2388 92.2388 90.3570 89.0899 88.6572 93.0319 94.8258 87.9664 + 89.9076 100.1805 109.0732 89.5374 91.8151 101.7839 92.2014 133.2247 + 121.5017 117.9501 114.2013 114.2013 + -180.0000 45.8488 55.1936 49.3961 48.2980 46.8430 59.6233 56.6787 + -87.3042 -127.4990 4.2610 66.1079 70.1396 -108.9488 103.8242 -122.5265 + -90.2854 -108.3282 180.0000 0.0000 + 140.2356 131.2165 144.7061 131.1422 136.6446 161.8137 166.5752 137.4830 + 133.6664 180.0000 180.0000 95.4289 177.7241 154.9346 180.0000 129.9381 + 114.6425 122.6038 115.8775 113.4159 + -139.9014 -130.6933 -8.9172 -78.8546 -93.1285 -178.3127 -134.2473 -85.4100 + -78.0588 180.0000 180.0000 -130.5203 -90.9221 -117.7426 180.0000 -97.3668 + -126.1938 -127.6722 -113.8546 -13.7665 + Initial conformation 28 + 92.2388 92.2388 90.3570 89.0899 88.6572 93.0319 94.8258 87.9664 + 89.9076 100.1805 109.0732 89.5374 91.8151 101.7839 92.2014 133.2247 + 121.5017 117.9501 114.2013 114.2013 + -180.0000 45.8488 55.1936 49.3961 48.2980 46.8430 59.6233 56.6787 + -87.3042 -127.4990 4.2610 66.1079 70.1396 -108.9488 103.8242 -122.5265 + -90.2854 -108.3282 180.0000 0.0000 + 159.5336 158.4576 134.2896 146.6328 126.3521 157.0147 155.0290 147.8548 + 149.6023 180.0000 180.0000 107.2483 149.9655 155.2110 180.0000 128.2360 + 125.5929 125.9064 114.1957 95.2991 + -7.2251 -15.5662 6.1874 -94.4980 -87.8095 176.2806 -171.9358 -146.2643 + -32.5953 180.0000 180.0000 -128.2218 -68.0259 -111.3095 180.0000 -117.3798 + -128.9245 -140.3579 -120.6671 -61.0835 + Initial conformation 29 + 92.2388 92.2388 90.3570 89.0899 88.6572 93.0319 94.8258 87.9664 + 89.9076 100.1805 109.0732 89.5374 91.8151 101.7839 92.2014 133.2247 + 121.5017 117.9501 114.2013 114.2013 + -180.0000 45.8488 55.1936 49.3961 48.2980 46.8430 59.6233 56.6787 + -87.3042 -127.4990 4.2610 66.1079 70.1396 -108.9488 103.8242 -122.5265 + -90.2854 -108.3282 180.0000 0.0000 + 115.4761 156.0687 158.4708 151.9286 151.0891 157.7607 153.8299 147.9134 + 142.5286 180.0000 180.0000 92.6275 125.6135 159.3325 180.0000 111.4041 + 122.5698 126.1620 116.1830 106.9748 + -84.9534 -110.0993 175.2140 -93.0071 -74.0196 103.4510 -133.4116 -87.9008 + -125.7805 180.0000 180.0000 -110.1460 -15.8005 -66.7337 180.0000 -65.4205 + -135.2609 -127.4040 -108.9322 -80.2814 + Initial conformation 30 + 92.2388 92.2388 90.3570 89.0899 88.6572 93.0319 94.8258 87.9664 + 89.9076 100.1805 109.0732 89.5374 91.8151 101.7839 92.2014 133.2247 + 121.5017 117.9501 114.2013 114.2013 + -180.0000 45.8488 55.1936 49.3961 48.2980 46.8430 59.6233 56.6787 + -87.3042 -127.4990 4.2610 66.1079 70.1396 -108.9488 103.8242 -122.5265 + -90.2854 -108.3282 180.0000 0.0000 + 141.8424 155.5475 129.6965 129.7544 124.2872 155.2560 155.7403 174.9048 + 150.8596 180.0000 180.0000 104.8775 146.2636 99.4075 180.0000 136.0987 + 130.0466 116.5031 115.8448 151.7167 + -155.3894 -112.4564 -17.4250 -83.6060 -103.4447 171.1767 -28.6504 162.7236 + -1.3173 180.0000 180.0000 -82.5412 -64.8556 -75.9814 180.0000 -101.6947 + -136.2838 -122.2131 -118.0412 -102.2873 + Initial conformation 31 + 92.2388 92.2388 90.3570 89.0899 88.6572 93.0319 94.8258 87.9664 + 89.9076 100.1805 109.0732 89.5374 91.8151 101.7839 92.2014 133.2247 + 121.5017 117.9501 114.2013 114.2013 + -180.0000 45.8488 55.1936 49.3961 48.2980 46.8430 59.6233 56.6787 + -87.3042 -127.4990 4.2610 66.1079 70.1396 -108.9488 103.8242 -122.5265 + -90.2854 -108.3282 180.0000 0.0000 + 133.1559 161.6498 127.0409 145.2727 125.2860 133.5552 150.3471 168.0951 + 134.4648 180.0000 180.0000 88.2159 100.2206 157.8280 180.0000 112.7565 + 122.8062 116.6774 120.7138 92.3254 + -117.4775 -115.5970 -92.5994 -83.8126 -114.2548 -44.9364 -6.6409 163.4563 + -103.4884 180.0000 180.0000 -88.0189 -73.8371 -145.2757 180.0000 -43.3451 + -135.5444 -121.2372 -125.2646 -73.0122 + Initial conformation 32 + 92.2388 92.2388 90.3570 89.0899 88.6572 93.0319 94.8258 87.9664 + 89.9076 100.1805 109.0732 89.5374 91.8151 101.7839 92.2014 133.2247 + 121.5017 117.9501 114.2013 114.2013 + -180.0000 45.8488 55.1936 49.3961 48.2980 46.8430 59.6233 56.6787 + -87.3042 -127.4990 4.2610 66.1079 70.1396 -108.9488 103.8242 -122.5265 + -90.2854 -108.3282 180.0000 0.0000 + 129.5289 157.6753 145.5973 137.3808 141.4725 145.8025 152.6828 178.5249 + 125.3412 180.0000 180.0000 95.3397 107.9171 115.8480 180.0000 134.1709 + 125.6980 113.5039 125.0153 99.4654 + -34.0587 -152.5538 138.8721 -99.9012 -6.7282 -28.5836 -130.1015 -94.3719 + -80.9304 180.0000 180.0000 -108.7638 -59.4216 -63.7949 180.0000 -74.9807 + -139.9447 -116.7002 -128.8931 -69.1171 + Initial conformation 33 + 92.2388 92.2388 90.3570 89.0899 88.6572 93.0319 94.8258 87.9664 + 89.9076 100.1805 109.0732 89.5374 91.8151 101.7839 92.2014 133.2247 + 121.5017 117.9501 114.2013 114.2013 + -180.0000 45.8488 55.1936 49.3961 48.2980 46.8430 59.6233 56.6787 + -87.3042 -127.4990 4.2610 66.1079 70.1396 -108.9488 103.8242 -122.5265 + -90.2854 -108.3282 180.0000 0.0000 + 157.0234 159.6152 136.8033 126.2531 141.4645 159.1491 158.1683 158.0129 + 141.2493 180.0000 180.0000 102.5746 151.7077 134.0773 180.0000 157.6876 + 125.9988 114.3771 122.8961 127.2065 + 8.4249 -93.5740 -17.4240 -76.6507 -112.7148 99.3633 -15.3388 -133.4388 + -152.6274 180.0000 180.0000 -112.4343 -104.8507 -93.6462 180.0000 93.8188 + -149.2195 -117.7849 -125.2399 9.2093 + Initial conformation 34 + 92.2388 92.2388 90.3570 89.0899 88.6572 93.0319 94.8258 87.9664 + 89.9076 100.1805 109.0732 89.5374 91.8151 101.7839 92.2014 133.2247 + 121.5017 117.9501 114.2013 114.2013 + -180.0000 45.8488 55.1936 49.3961 48.2980 46.8430 59.6233 56.6787 + -87.3042 -127.4990 4.2610 66.1079 70.1396 -108.9488 103.8242 -122.5265 + -90.2854 -108.3282 180.0000 0.0000 + 169.4641 158.4673 156.2106 140.1533 137.6986 169.7196 142.1374 128.3832 + 148.8883 180.0000 180.0000 105.8086 157.7279 151.9086 180.0000 130.6598 + 124.6410 129.4642 127.7229 153.0709 + 5.0718 -22.5103 178.6552 -80.4226 -127.2495 33.2749 -76.1342 -64.4232 + -116.9962 180.0000 180.0000 -115.6407 -19.3354 -133.9416 180.0000 140.3746 + -132.5622 -142.9899 -143.6077 -87.0332 + Initial conformation 35 + 92.2388 92.2388 90.3570 89.0899 88.6572 93.0319 94.8258 87.9664 + 89.9076 100.1805 109.0732 89.5374 91.8151 101.7839 92.2014 133.2247 + 121.5017 117.9501 114.2013 114.2013 + -180.0000 45.8488 55.1936 49.3961 48.2980 46.8430 59.6233 56.6787 + -87.3042 -127.4990 4.2610 66.1079 70.1396 -108.9488 103.8242 -122.5265 + -90.2854 -108.3282 180.0000 0.0000 + 151.0411 164.0603 141.4115 134.4542 139.6842 150.8019 159.3218 131.3189 + 124.9581 180.0000 180.0000 105.0615 160.3144 108.5783 180.0000 126.8059 + 118.5724 119.4770 112.5410 145.3326 + -140.6903 -10.4989 -19.3058 -71.1462 -57.6833 -170.4784 -82.1247 177.0821 + -83.3442 180.0000 180.0000 -125.1048 -115.7674 -69.3518 180.0000 132.0092 + -130.1632 -123.0746 -107.5352 -80.5015 + Initial conformation 36 + 92.2388 92.2388 90.3570 89.0899 88.6572 93.0319 94.8258 87.9664 + 89.9076 100.1805 109.0732 89.5374 91.8151 101.7839 92.2014 133.2247 + 121.5017 117.9501 114.2013 114.2013 + -180.0000 45.8488 55.1936 49.3961 48.2980 46.8430 59.6233 56.6787 + -87.3042 -127.4990 4.2610 66.1079 70.1396 -108.9488 103.8242 -122.5265 + -90.2854 -108.3282 180.0000 0.0000 + 150.7996 156.9095 141.0711 130.3298 143.5018 136.9243 149.9839 139.5985 + 154.2888 180.0000 180.0000 111.2880 140.1927 144.9049 180.0000 124.5519 + 116.7917 116.8323 125.1706 109.7413 + -31.7403 -121.1205 -158.3164 -74.3794 -14.5594 -9.2797 -108.2454 -168.9074 + -94.1790 180.0000 180.0000 -132.1185 -79.2481 -26.5885 180.0000 -92.8728 + -133.3531 -119.6116 -122.1431 -69.6804 + Initial conformation 37 + 92.2388 92.2388 90.3570 89.0899 88.6572 93.0319 94.8258 87.9664 + 89.9076 100.1805 109.0732 89.5374 91.8151 101.7839 92.2014 133.2247 + 121.5017 117.9501 114.2013 114.2013 + -180.0000 45.8488 55.1936 49.3961 48.2980 46.8430 59.6233 56.6787 + -87.3042 -127.4990 4.2610 66.1079 70.1396 -108.9488 103.8242 -122.5265 + -90.2854 -108.3282 180.0000 0.0000 + 138.4389 146.5942 136.2875 134.6052 124.7974 136.3152 169.5291 159.2788 + 136.4696 180.0000 180.0000 104.2867 135.9078 149.8815 180.0000 121.2944 + 119.3999 122.6694 121.6287 147.9285 + -120.8080 -160.8349 1.6058 -79.1444 -130.3057 7.0689 -172.8206 170.8360 + -106.2272 180.0000 180.0000 -98.9418 -115.1054 -53.4911 180.0000 -142.6105 + -123.1647 -132.5994 -114.7879 -79.7045 + Initial conformation 38 + 92.2388 92.2388 90.3570 89.0899 88.6572 93.0319 94.8258 87.9664 + 89.9076 100.1805 109.0732 89.5374 91.8151 101.7839 92.2014 133.2247 + 121.5017 117.9501 114.2013 114.2013 + -180.0000 45.8488 55.1936 49.3961 48.2980 46.8430 59.6233 56.6787 + -87.3042 -127.4990 4.2610 66.1079 70.1396 -108.9488 103.8242 -122.5265 + -90.2854 -108.3282 180.0000 0.0000 + 154.4228 169.2805 136.7643 137.0457 143.6772 133.8874 151.4761 143.6881 + 150.5644 180.0000 180.0000 103.5443 106.9600 134.8102 180.0000 138.2727 + 109.7232 121.8283 118.2774 97.8166 + -158.6687 -151.0822 -163.9274 -96.4301 -124.6849 -23.9015 -132.9752 -153.8533 + -90.6619 180.0000 180.0000 -108.4093 -60.2068 -114.9940 180.0000 -105.2178 + -116.8853 -129.6945 -116.2815 -61.9192 + Initial conformation 39 + 92.2388 92.2388 90.3570 89.0899 88.6572 93.0319 94.8258 87.9664 + 89.9076 100.1805 109.0732 89.5374 91.8151 101.7839 92.2014 133.2247 + 121.5017 117.9501 114.2013 114.2013 + -180.0000 45.8488 55.1936 49.3961 48.2980 46.8430 59.6233 56.6787 + -87.3042 -127.4990 4.2610 66.1079 70.1396 -108.9488 103.8242 -122.5265 + -90.2854 -108.3282 180.0000 0.0000 + 125.7685 158.6748 132.1214 143.6463 161.3503 159.7089 156.9046 162.7603 + 154.8226 180.0000 180.0000 100.3050 134.2106 93.8116 180.0000 141.9312 + 113.2291 117.1039 125.2332 107.3613 + -95.4621 -14.6598 -8.6756 -78.5493 -148.5941 172.1757 -111.9922 -149.9450 + -3.2368 180.0000 180.0000 -115.4680 -88.2463 -66.2551 180.0000 -120.4501 + -118.3839 -120.9476 -127.6654 -68.7985 + Initial conformation 40 + 92.2388 92.2388 90.3570 89.0899 88.6572 93.0319 94.8258 87.9664 + 89.9076 100.1805 109.0732 89.5374 91.8151 101.7839 92.2014 133.2247 + 121.5017 117.9501 114.2013 114.2013 + -180.0000 45.8488 55.1936 49.3961 48.2980 46.8430 59.6233 56.6787 + -87.3042 -127.4990 4.2610 66.1079 70.1396 -108.9488 103.8242 -122.5265 + -90.2854 -108.3282 180.0000 0.0000 + 149.9754 156.3217 132.2956 145.5363 132.3658 159.0941 151.3564 134.1849 + 143.2903 180.0000 180.0000 98.5446 98.3435 155.5817 180.0000 157.9595 + 119.6462 113.6108 121.3498 134.2251 + -125.3528 -115.6045 -3.3216 -86.3662 -129.8101 -147.5457 -85.6192 166.7819 + -167.4651 180.0000 180.0000 -99.6306 -72.7202 -38.1561 180.0000 -34.5010 + -133.3135 -112.3696 -125.9786 -93.7855 + Initial conformation 41 + 92.2388 92.2388 90.3570 89.0899 88.6572 93.0319 94.8258 87.9664 + 89.9076 100.1805 109.0732 89.5374 91.8151 101.7839 92.2014 133.2247 + 121.5017 117.9501 114.2013 114.2013 + -180.0000 45.8488 55.1936 49.3961 48.2980 46.8430 59.6233 56.6787 + -87.3042 -127.4990 4.2610 66.1079 70.1396 -108.9488 103.8242 -122.5265 + -90.2854 -108.3282 180.0000 0.0000 + 139.6148 156.7445 141.4822 142.0194 148.4267 146.4369 149.4457 135.9641 + 134.1005 180.0000 180.0000 102.0137 156.9857 143.8561 180.0000 153.6853 + 125.9195 119.9501 121.9662 135.1070 + -124.6653 -139.3330 160.2086 -100.5894 -125.8868 140.1480 -41.5127 -163.8222 + -98.3217 180.0000 180.0000 -130.9191 -68.5041 -75.8097 180.0000 134.2150 + -138.7743 -123.3710 -119.2870 -54.1901 + Initial conformation 42 + 92.2388 92.2388 90.3570 89.0899 88.6572 93.0319 94.8258 87.9664 + 89.9076 100.1805 109.0732 89.5374 91.8151 101.7839 92.2014 133.2247 + 121.5017 117.9501 114.2013 114.2013 + -180.0000 45.8488 55.1936 49.3961 48.2980 46.8430 59.6233 56.6787 + -87.3042 -127.4990 4.2610 66.1079 70.1396 -108.9488 103.8242 -122.5265 + -90.2854 -108.3282 180.0000 0.0000 + 109.6445 145.0050 152.5407 128.4204 126.5862 118.6022 159.5064 138.4982 + 134.7580 180.0000 180.0000 98.4546 92.6566 152.6719 180.0000 124.3678 + 123.7877 131.4287 125.9569 153.1022 + -88.0598 -97.5170 167.2423 -96.7579 -65.7286 -92.1660 -168.6223 -94.7339 + -101.3318 180.0000 180.0000 -104.0238 -68.2088 -11.6543 180.0000 -44.3376 + -133.5599 -139.2285 -127.2087 -27.4676 + Initial conformation 43 + 92.2388 92.2388 90.3570 89.0899 88.6572 93.0319 94.8258 87.9664 + 89.9076 100.1805 109.0732 89.5374 91.8151 101.7839 92.2014 133.2247 + 121.5017 117.9501 114.2013 114.2013 + -180.0000 45.8488 55.1936 49.3961 48.2980 46.8430 59.6233 56.6787 + -87.3042 -127.4990 4.2610 66.1079 70.1396 -108.9488 103.8242 -122.5265 + -90.2854 -108.3282 180.0000 0.0000 + 114.6598 141.2699 148.9354 135.5904 155.2596 144.4030 170.6303 130.6215 + 130.3085 180.0000 180.0000 100.2282 151.8194 168.6082 180.0000 118.5771 + 126.8218 122.9986 113.1329 136.4314 + -152.2177 -119.1090 -7.0109 -62.8938 -106.0660 -143.3780 -163.9631 -103.0347 + -108.9241 180.0000 180.0000 -97.8082 -70.7791 -28.1605 180.0000 -153.0657 + -128.3520 -126.7307 -108.8085 -63.4459 + Initial conformation 44 + 92.2388 92.2388 90.3570 89.0899 88.6572 93.0319 94.8258 87.9664 + 89.9076 100.1805 109.0732 89.5374 91.8151 101.7839 92.2014 133.2247 + 121.5017 117.9501 114.2013 114.2013 + -180.0000 45.8488 55.1936 49.3961 48.2980 46.8430 59.6233 56.6787 + -87.3042 -127.4990 4.2610 66.1079 70.1396 -108.9488 103.8242 -122.5265 + -90.2854 -108.3282 180.0000 0.0000 + 168.8841 160.0651 159.9747 139.8671 148.8895 171.4198 160.0688 148.1315 + 140.7627 180.0000 180.0000 100.4091 102.4306 104.0249 180.0000 163.3670 + 116.0920 120.7841 122.7766 153.7907 + -21.2000 179.8065 -173.7404 -81.8795 123.5779 1.0680 -13.2479 -176.2391 + -96.2131 180.0000 180.0000 -109.9832 -72.3517 -74.9863 180.0000 -91.3804 + -124.3806 -128.7684 -130.2675 -133.1273 + Initial conformation 45 + 92.2388 92.2388 90.3570 89.0899 88.6572 93.0319 94.8258 87.9664 + 89.9076 100.1805 109.0732 89.5374 91.8151 101.7839 92.2014 133.2247 + 121.5017 117.9501 114.2013 114.2013 + -180.0000 45.8488 55.1936 49.3961 48.2980 46.8430 59.6233 56.6787 + -87.3042 -127.4990 4.2610 66.1079 70.1396 -108.9488 103.8242 -122.5265 + -90.2854 -108.3282 180.0000 0.0000 + 160.1922 144.9296 130.2851 131.0821 153.9400 156.0483 154.0340 165.8286 + 158.9702 180.0000 180.0000 88.3672 105.7821 156.2165 180.0000 142.2563 + 107.0684 115.1619 117.0431 92.1814 + -150.5745 -131.8147 -17.7197 -48.0198 -138.3614 171.2624 -81.7302 -40.1771 + -52.3946 180.0000 180.0000 -107.3863 -62.5343 -155.5928 180.0000 3.0151 + -110.2964 -119.2217 -117.1593 -63.5588 + Initial conformation 46 + 92.2388 92.2388 90.3570 89.0899 88.6572 93.0319 94.8258 87.9664 + 89.9076 100.1805 109.0732 89.5374 91.8151 101.7839 92.2014 133.2247 + 121.5017 117.9501 114.2013 114.2013 + -180.0000 45.8488 55.1936 49.3961 48.2980 46.8430 59.6233 56.6787 + -87.3042 -127.4990 4.2610 66.1079 70.1396 -108.9488 103.8242 -122.5265 + -90.2854 -108.3282 180.0000 0.0000 + 141.8660 154.0373 137.0585 142.8343 136.7582 162.4283 155.4834 145.4394 + 146.2602 180.0000 180.0000 98.4078 158.7775 102.2172 180.0000 152.6696 + 119.5430 119.2100 115.5360 146.3299 + -146.6543 -38.2165 -6.4818 -70.4617 153.9675 142.1690 -114.7835 -87.1007 + -143.2006 180.0000 180.0000 -131.4285 -71.0367 -54.8862 180.0000 -157.2621 + -129.8981 -119.0328 -120.2216 -85.3931 + Initial conformation 47 + 92.2388 92.2388 90.3570 89.0899 88.6572 93.0319 94.8258 87.9664 + 89.9076 100.1805 109.0732 89.5374 91.8151 101.7839 92.2014 133.2247 + 121.5017 117.9501 114.2013 114.2013 + -180.0000 45.8488 55.1936 49.3961 48.2980 46.8430 59.6233 56.6787 + -87.3042 -127.4990 4.2610 66.1079 70.1396 -108.9488 103.8242 -122.5265 + -90.2854 -108.3282 180.0000 0.0000 + 147.4447 163.4957 138.0252 133.1133 127.4529 150.6814 149.5027 133.3475 + 117.4104 180.0000 180.0000 99.8425 153.6411 137.9381 180.0000 120.9755 + 124.4647 129.5935 132.1983 107.9319 + -104.9316 -111.4318 -28.2295 -71.4268 -130.6507 35.3175 -133.9175 -67.2705 + -84.5192 180.0000 180.0000 -132.6608 -28.7965 -110.6394 180.0000 5.4690 + -129.6975 -143.4546 -133.8016 -69.8924 + Initial conformation 48 + 92.2388 92.2388 90.3570 89.0899 88.6572 93.0319 94.8258 87.9664 + 89.9076 100.1805 109.0732 89.5374 91.8151 101.7839 92.2014 133.2247 + 121.5017 117.9501 114.2013 114.2013 + -180.0000 45.8488 55.1936 49.3961 48.2980 46.8430 59.6233 56.6787 + -87.3042 -127.4990 4.2610 66.1079 70.1396 -108.9488 103.8242 -122.5265 + -90.2854 -108.3282 180.0000 0.0000 + 158.6032 148.0615 156.2374 150.8687 133.3137 111.3188 152.4076 133.2109 + 148.9610 180.0000 180.0000 99.9142 98.6376 89.4865 180.0000 122.9141 + 120.2616 119.6893 115.9610 124.1598 + -116.6211 -2.8394 172.1324 -100.0993 -23.1862 -63.9537 -98.3236 -116.0555 + -73.3018 180.0000 180.0000 -117.6487 -68.6438 -61.6211 180.0000 -77.1929 + -121.3559 -120.6973 -113.7401 -18.0081 + Initial conformation 49 + 92.2388 92.2388 90.3570 89.0899 88.6572 93.0319 94.8258 87.9664 + 89.9076 100.1805 109.0732 89.5374 91.8151 101.7839 92.2014 133.2247 + 121.5017 117.9501 114.2013 114.2013 + -180.0000 45.8488 55.1936 49.3961 48.2980 46.8430 59.6233 56.6787 + -87.3042 -127.4990 4.2610 66.1079 70.1396 -108.9488 103.8242 -122.5265 + -90.2854 -108.3282 180.0000 0.0000 + 148.1463 149.9558 159.6258 138.4788 159.0440 146.3217 145.8669 137.5580 + 152.0455 180.0000 180.0000 110.5685 143.7084 108.1484 180.0000 140.4247 + 123.4633 129.2318 123.1088 93.6806 + -150.8546 -139.7554 157.0199 -71.8025 -117.7802 -9.0275 -26.9050 -89.1164 + -100.4641 180.0000 180.0000 -92.9743 -59.7857 -77.5051 180.0000 -116.6665 + -129.6349 -133.6918 -124.2383 -66.4009 + Initial conformation 50 + 92.2388 92.2388 90.3570 89.0899 88.6572 93.0319 94.8258 87.9664 + 89.9076 100.1805 109.0732 89.5374 91.8151 101.7839 92.2014 133.2247 + 121.5017 117.9501 114.2013 114.2013 + -180.0000 45.8488 55.1936 49.3961 48.2980 46.8430 59.6233 56.6787 + -87.3042 -127.4990 4.2610 66.1079 70.1396 -108.9488 103.8242 -122.5265 + -90.2854 -108.3282 180.0000 0.0000 + 124.3943 136.3168 127.8062 136.4051 147.6122 138.8923 138.9087 125.9504 + 144.7037 180.0000 180.0000 99.0596 104.7729 104.8643 180.0000 129.4940 + 114.7483 121.6060 120.8169 101.5808 + -88.6140 -111.8349 -24.9069 -99.4286 -99.8934 -122.0548 -163.7875 -50.6631 + -138.6264 180.0000 180.0000 -127.5426 -63.3269 -68.1292 180.0000 -53.9915 + -111.3348 -130.2072 -122.6210 -64.1975 + Initial conformation 51 + 92.2388 92.2388 90.3570 89.0899 88.6572 93.0319 94.8258 87.9664 + 89.9076 100.1805 109.0732 89.5374 91.8151 101.7839 92.2014 133.2247 + 121.5017 117.9501 114.2013 114.2013 + -180.0000 45.8488 55.1936 49.3961 48.2980 46.8430 59.6233 56.6787 + -87.3042 -127.4990 4.2610 66.1079 70.1396 -108.9488 103.8242 -122.5265 + -90.2854 -108.3282 180.0000 0.0000 + 147.6232 149.9365 155.3151 148.9673 132.4520 126.6246 149.6437 148.9752 + 150.3059 180.0000 180.0000 101.6352 150.3768 109.8326 180.0000 97.4348 + 118.5289 115.0493 115.3698 135.1720 + -137.9885 -6.2072 -160.5245 -88.1070 -97.1334 0.4562 -75.6313 -120.1630 + -23.4494 180.0000 180.0000 -115.2394 2.0819 -64.7819 180.0000 -30.0120 + -124.6647 -123.2588 -110.9263 -93.3631 + Initial conformation 52 + 92.2388 92.2388 90.3570 89.0899 88.6572 93.0319 94.8258 87.9664 + 89.9076 100.1805 109.0732 89.5374 91.8151 101.7839 92.2014 133.2247 + 121.5017 117.9501 114.2013 114.2013 + -180.0000 45.8488 55.1936 49.3961 48.2980 46.8430 59.6233 56.6787 + -87.3042 -127.4990 4.2610 66.1079 70.1396 -108.9488 103.8242 -122.5265 + -90.2854 -108.3282 180.0000 0.0000 + 145.8226 169.5311 141.0102 165.7798 146.7925 156.0894 137.1077 131.5707 + 160.4962 180.0000 180.0000 102.7425 154.1239 132.4867 180.0000 143.4465 + 114.8030 126.0882 129.9453 99.7427 + -13.6841 -7.0001 -177.6742 -75.3884 149.7181 -177.4851 -146.1066 -100.0992 + -9.2255 180.0000 180.0000 -95.7468 -88.0713 -102.9752 180.0000 -27.5769 + -126.4408 -129.8976 -139.4066 -57.1847 + Initial conformation 53 + 92.2388 92.2388 90.3570 89.0899 88.6572 93.0319 94.8258 87.9664 + 89.9076 100.1805 109.0732 89.5374 91.8151 101.7839 92.2014 133.2247 + 121.5017 117.9501 114.2013 114.2013 + -180.0000 45.8488 55.1936 49.3961 48.2980 46.8430 59.6233 56.6787 + -87.3042 -127.4990 4.2610 66.1079 70.1396 -108.9488 103.8242 -122.5265 + -90.2854 -108.3282 180.0000 0.0000 + 152.8662 145.5807 139.6635 126.6740 142.0129 172.6973 147.9836 133.4349 + 155.9193 180.0000 180.0000 93.3230 106.4887 138.6979 180.0000 130.5183 + 123.4078 116.7538 112.4006 105.2013 + 2.3480 -31.1513 6.5688 -86.0590 -110.6026 -10.8541 -102.6484 -88.4505 + -125.0013 180.0000 180.0000 -114.1575 -69.1444 16.0283 180.0000 -96.0065 + -126.5309 -126.4440 -112.8128 -59.4300 + Initial conformation 54 + 92.2388 92.2388 90.3570 89.0899 88.6572 93.0319 94.8258 87.9664 + 89.9076 100.1805 109.0732 89.5374 91.8151 101.7839 92.2014 133.2247 + 121.5017 117.9501 114.2013 114.2013 + -180.0000 45.8488 55.1936 49.3961 48.2980 46.8430 59.6233 56.6787 + -87.3042 -127.4990 4.2610 66.1079 70.1396 -108.9488 103.8242 -122.5265 + -90.2854 -108.3282 180.0000 0.0000 + 163.4732 151.8341 144.8830 142.8659 139.0330 156.1570 157.2243 150.8968 + 139.3057 180.0000 180.0000 90.2019 100.8559 143.8547 180.0000 144.4577 + 113.4929 133.1951 105.7498 134.0796 + -19.9504 -129.5017 -159.7886 -81.4766 -120.4043 138.3629 -123.5563 -52.7968 + -105.1360 180.0000 180.0000 -93.1733 -55.0820 -54.7602 180.0000 -127.7217 + -126.9924 -138.4622 -107.8402 -36.2944 + Initial conformation 55 + 92.2388 92.2388 90.3570 89.0899 88.6572 93.0319 94.8258 87.9664 + 89.9076 100.1805 109.0732 89.5374 91.8151 101.7839 92.2014 133.2247 + 121.5017 117.9501 114.2013 114.2013 + -180.0000 45.8488 55.1936 49.3961 48.2980 46.8430 59.6233 56.6787 + -87.3042 -127.4990 4.2610 66.1079 70.1396 -108.9488 103.8242 -122.5265 + -90.2854 -108.3282 180.0000 0.0000 + 144.7861 153.3311 104.2094 147.6513 152.0852 176.6849 148.5458 155.9076 + 158.7122 180.0000 180.0000 100.2415 97.0655 121.2461 180.0000 140.6819 + 121.0765 124.2130 120.4718 103.8014 + -149.1341 -118.3811 -96.2955 -76.2406 -33.3200 164.0140 -8.1537 -131.1203 + -15.5792 180.0000 180.0000 -85.0762 -71.5662 -161.9247 180.0000 -54.1611 + -133.4865 -130.7179 -122.5242 -77.6041 + Initial conformation 56 + 92.2388 92.2388 90.3570 89.0899 88.6572 93.0319 94.8258 87.9664 + 89.9076 100.1805 109.0732 89.5374 91.8151 101.7839 92.2014 133.2247 + 121.5017 117.9501 114.2013 114.2013 + -180.0000 45.8488 55.1936 49.3961 48.2980 46.8430 59.6233 56.6787 + -87.3042 -127.4990 4.2610 66.1079 70.1396 -108.9488 103.8242 -122.5265 + -90.2854 -108.3282 180.0000 0.0000 + 165.0811 147.5276 120.9536 148.3702 140.6949 133.6485 177.7140 152.2997 + 142.6316 180.0000 180.0000 115.1995 145.6385 98.7078 180.0000 120.8971 + 120.6388 122.1311 117.3724 152.4206 + -149.5852 -104.2013 -12.2412 -75.3189 -168.5945 -82.6645 -143.5099 -23.5355 + -154.2513 180.0000 180.0000 -106.1554 -86.0654 -51.4143 180.0000 -52.5346 + -126.0965 -133.4188 -118.8484 -46.8013 + Initial conformation 57 + 92.2388 92.2388 90.3570 89.0899 88.6572 93.0319 94.8258 87.9664 + 89.9076 100.1805 109.0732 89.5374 91.8151 101.7839 92.2014 133.2247 + 121.5017 117.9501 114.2013 114.2013 + -180.0000 45.8488 55.1936 49.3961 48.2980 46.8430 59.6233 56.6787 + -87.3042 -127.4990 4.2610 66.1079 70.1396 -108.9488 103.8242 -122.5265 + -90.2854 -108.3282 180.0000 0.0000 + 131.8495 164.6990 134.9397 130.4029 130.6983 119.7581 163.4061 135.9390 + 141.4019 180.0000 180.0000 94.9185 146.2686 97.7487 180.0000 99.4291 + 122.7103 116.3495 123.3442 132.8393 + -93.8635 0.0427 -9.6341 -89.9596 -136.4536 -13.6899 -158.0516 -83.8482 + -81.3691 180.0000 180.0000 -101.1107 -32.5239 -66.9499 180.0000 44.7278 + -130.4704 -121.3943 -133.2350 -148.9350 + Initial conformation 58 + 92.2388 92.2388 90.3570 89.0899 88.6572 93.0319 94.8258 87.9664 + 89.9076 100.1805 109.0732 89.5374 91.8151 101.7839 92.2014 133.2247 + 121.5017 117.9501 114.2013 114.2013 + -180.0000 45.8488 55.1936 49.3961 48.2980 46.8430 59.6233 56.6787 + -87.3042 -127.4990 4.2610 66.1079 70.1396 -108.9488 103.8242 -122.5265 + -90.2854 -108.3282 180.0000 0.0000 + 106.9165 149.0760 130.7707 136.7349 132.9350 171.6937 158.5733 155.1363 + 149.0590 180.0000 180.0000 99.0401 169.3133 95.0004 180.0000 147.2810 + 121.6768 115.4850 127.4038 104.3886 + -87.3658 -124.4962 -108.5024 -86.0996 -88.8764 -179.3863 -17.6417 -58.9755 + -100.7761 180.0000 180.0000 -110.3733 -165.4140 -65.1768 180.0000 -155.7772 + -129.0481 -121.6418 -137.5482 -54.6641 + Initial conformation 59 + 92.2388 92.2388 90.3570 89.0899 88.6572 93.0319 94.8258 87.9664 + 89.9076 100.1805 109.0732 89.5374 91.8151 101.7839 92.2014 133.2247 + 121.5017 117.9501 114.2013 114.2013 + -180.0000 45.8488 55.1936 49.3961 48.2980 46.8430 59.6233 56.6787 + -87.3042 -127.4990 4.2610 66.1079 70.1396 -108.9488 103.8242 -122.5265 + -90.2854 -108.3282 180.0000 0.0000 + 160.4138 151.4287 153.3488 132.7151 146.0554 171.5251 138.7304 144.5342 + 111.1340 180.0000 180.0000 101.3424 142.0383 160.1604 180.0000 124.4539 + 119.4660 114.7788 130.5723 99.4067 + -153.2512 -131.0713 160.0500 -83.6001 -81.2492 138.0814 -72.0724 -95.4373 + -86.1842 180.0000 180.0000 -123.0587 -91.8565 -66.4618 180.0000 -8.4105 + -117.0059 -109.5602 -133.1774 -62.9251 + Initial conformation 60 + 92.2388 92.2388 90.3570 89.0899 88.6572 93.0319 94.8258 87.9664 + 89.9076 100.1805 109.0732 89.5374 91.8151 101.7839 92.2014 133.2247 + 121.5017 117.9501 114.2013 114.2013 + -180.0000 45.8488 55.1936 49.3961 48.2980 46.8430 59.6233 56.6787 + -87.3042 -127.4990 4.2610 66.1079 70.1396 -108.9488 103.8242 -122.5265 + -90.2854 -108.3282 180.0000 0.0000 + 135.4278 154.0261 126.2898 151.5958 122.4723 168.5562 160.5115 167.9232 + 149.6505 180.0000 180.0000 108.5627 85.3884 147.4332 180.0000 161.0288 + 115.6241 132.5786 114.1221 131.3958 + -121.2883 -106.3476 -7.7701 -98.2679 87.0100 -170.2844 -171.1202 -70.9869 + -128.0943 180.0000 180.0000 -115.1434 -63.9960 -95.6934 180.0000 -132.8411 + -120.1207 -137.6440 -118.6514 -90.4458 + Initial conformation 61 + 92.2388 92.2388 90.3570 89.0899 88.6572 93.0319 94.8258 87.9664 + 89.9076 100.1805 109.0732 89.5374 91.8151 101.7839 92.2014 133.2247 + 121.5017 117.9501 114.2013 114.2013 + -180.0000 45.8488 55.1936 49.3961 48.2980 46.8430 59.6233 56.6787 + -87.3042 -127.4990 4.2610 66.1079 70.1396 -108.9488 103.8242 -122.5265 + -90.2854 -108.3282 180.0000 0.0000 + 156.6777 153.6734 133.9213 134.8397 157.1407 148.8059 151.9599 149.4087 + 154.3010 180.0000 180.0000 102.1064 149.7872 160.9696 180.0000 171.3130 + 122.1354 127.3245 133.8212 112.6123 + -0.9446 -111.1455 -6.6095 -98.0505 -130.6446 172.4848 -119.3238 -153.7797 + -21.0316 180.0000 180.0000 -132.7569 -84.9802 -95.4665 180.0000 120.4817 + -127.0363 -135.5995 -134.3569 -74.9344 + Initial conformation 62 + 92.2388 92.2388 90.3570 89.0899 88.6572 93.0319 94.8258 87.9664 + 89.9076 100.1805 109.0732 89.5374 91.8151 101.7839 92.2014 133.2247 + 121.5017 117.9501 114.2013 114.2013 + -180.0000 45.8488 55.1936 49.3961 48.2980 46.8430 59.6233 56.6787 + -87.3042 -127.4990 4.2610 66.1079 70.1396 -108.9488 103.8242 -122.5265 + -90.2854 -108.3282 180.0000 0.0000 + 139.0884 170.5670 150.4705 132.6361 139.9701 137.5222 150.1053 165.1986 + 132.3524 180.0000 180.0000 102.4160 152.2229 97.4293 180.0000 133.9700 + 114.8558 112.4315 121.6282 159.1314 + -104.6676 -34.2834 -168.2369 -74.6346 -149.7908 -21.4083 -94.5468 -152.7915 + -110.4692 180.0000 180.0000 -99.1332 -65.0386 -69.8258 180.0000 -13.1935 + -119.5558 -118.1707 -119.2396 -117.9907 + Initial conformation 63 + 92.2388 92.2388 90.3570 89.0899 88.6572 93.0319 94.8258 87.9664 + 89.9076 100.1805 109.0732 89.5374 91.8151 101.7839 92.2014 133.2247 + 121.5017 117.9501 114.2013 114.2013 + -180.0000 45.8488 55.1936 49.3961 48.2980 46.8430 59.6233 56.6787 + -87.3042 -127.4990 4.2610 66.1079 70.1396 -108.9488 103.8242 -122.5265 + -90.2854 -108.3282 180.0000 0.0000 + 161.2321 157.4897 135.1459 139.8659 132.1651 151.6174 147.3755 164.9577 + 146.5720 180.0000 180.0000 95.9790 166.7147 138.5256 180.0000 148.1946 + 119.0432 113.1774 116.6865 98.1443 + 1.7179 -72.3731 -10.1365 -78.9902 -115.6360 163.7371 -118.0926 -123.3259 + -107.2706 180.0000 180.0000 -114.1665 -82.2332 -46.7969 180.0000 -161.9802 + -131.9621 -117.1053 -117.5382 -68.5598 + Initial conformation 64 + 92.2388 92.2388 90.3570 89.0899 88.6572 93.0319 94.8258 87.9664 + 89.9076 100.1805 109.0732 89.5374 91.8151 101.7839 92.2014 133.2247 + 121.5017 117.9501 114.2013 114.2013 + -180.0000 45.8488 55.1936 49.3961 48.2980 46.8430 59.6233 56.6787 + -87.3042 -127.4990 4.2610 66.1079 70.1396 -108.9488 103.8242 -122.5265 + -90.2854 -108.3282 180.0000 0.0000 + 154.3705 155.6695 138.4148 154.0318 148.6147 143.2585 152.6727 163.9468 + 161.6848 180.0000 180.0000 101.4185 140.6804 154.0196 180.0000 129.4519 + 122.3097 120.5031 115.3114 108.1423 + -137.7874 -51.2968 -151.6728 -77.5157 -74.7279 -160.4441 178.6704 -149.7996 + -28.3776 180.0000 180.0000 -103.8838 -108.8870 -71.1085 180.0000 -20.9817 + -130.2553 -120.3902 -120.0055 -76.2746 + Initial conformation 65 + 92.2388 92.2388 90.3570 89.0899 88.6572 93.0319 94.8258 87.9664 + 89.9076 100.1805 109.0732 89.5374 91.8151 101.7839 92.2014 133.2247 + 121.5017 117.9501 114.2013 114.2013 + -180.0000 45.8488 55.1936 49.3961 48.2980 46.8430 59.6233 56.6787 + -87.3042 -127.4990 4.2610 66.1079 70.1396 -108.9488 103.8242 -122.5265 + -90.2854 -108.3282 180.0000 0.0000 + 140.0034 148.6311 135.7173 145.2559 152.0556 149.2776 156.2330 134.6595 + 147.6592 180.0000 180.0000 106.0712 112.3162 157.4451 180.0000 156.9739 + 126.6328 127.5533 126.4749 160.6083 + -136.3612 -149.8101 -11.1440 -74.0314 -129.7407 -26.3910 -145.4208 -145.8209 + -104.6712 180.0000 180.0000 -107.6851 -78.7728 -60.9943 180.0000 171.2606 + -140.4590 -136.8294 -135.0165 -152.0887 + Initial conformation 66 + 92.2388 92.2388 90.3570 89.0899 88.6572 93.0319 94.8258 87.9664 + 89.9076 100.1805 109.0732 89.5374 91.8151 101.7839 92.2014 133.2247 + 121.5017 117.9501 114.2013 114.2013 + -180.0000 45.8488 55.1936 49.3961 48.2980 46.8430 59.6233 56.6787 + -87.3042 -127.4990 4.2610 66.1079 70.1396 -108.9488 103.8242 -122.5265 + -90.2854 -108.3282 180.0000 0.0000 + 166.6469 160.4491 144.0704 146.9928 127.9364 133.5146 151.8165 141.8391 + 153.6909 180.0000 180.0000 94.2840 147.4762 114.8742 180.0000 116.6282 + 122.1361 123.3689 117.5602 88.0663 + 6.1718 -157.3340 -171.7396 -100.5047 -98.4015 163.1252 -151.5024 2.4352 + 3.7432 180.0000 180.0000 -116.7710 -41.8887 -63.1145 180.0000 150.4002 + -128.6457 -128.4778 -117.8692 -72.5936 + Initial conformation 67 + 92.2388 92.2388 90.3570 89.0899 88.6572 93.0319 94.8258 87.9664 + 89.9076 100.1805 109.0732 89.5374 91.8151 101.7839 92.2014 133.2247 + 121.5017 117.9501 114.2013 114.2013 + -180.0000 45.8488 55.1936 49.3961 48.2980 46.8430 59.6233 56.6787 + -87.3042 -127.4990 4.2610 66.1079 70.1396 -108.9488 103.8242 -122.5265 + -90.2854 -108.3282 180.0000 0.0000 + 145.8230 149.5706 138.2148 133.2319 156.4738 162.2290 153.0110 148.5365 + 155.9187 180.0000 180.0000 85.5335 160.3012 104.3408 180.0000 136.3362 + 117.1120 118.1898 125.2018 128.7855 + -131.1494 -41.2925 0.6913 -88.9017 -125.4169 136.9231 -142.8243 -86.7351 + -153.5961 180.0000 180.0000 -102.0512 -103.6453 -76.6994 180.0000 -111.5130 + -120.3301 -117.8590 -140.2283 -29.1375 + Initial conformation 68 + 92.2388 92.2388 90.3570 89.0899 88.6572 93.0319 94.8258 87.9664 + 89.9076 100.1805 109.0732 89.5374 91.8151 101.7839 92.2014 133.2247 + 121.5017 117.9501 114.2013 114.2013 + -180.0000 45.8488 55.1936 49.3961 48.2980 46.8430 59.6233 56.6787 + -87.3042 -127.4990 4.2610 66.1079 70.1396 -108.9488 103.8242 -122.5265 + -90.2854 -108.3282 180.0000 0.0000 + 159.3041 153.4058 138.3692 125.1741 141.4851 143.4431 152.2662 140.8899 + 143.0649 180.0000 180.0000 91.9309 107.6852 134.9119 180.0000 130.8671 + 127.2505 123.5142 121.4690 93.0651 + -156.9951 -95.9292 -168.3429 -92.3427 -153.8231 -156.4570 -123.8353 -149.9119 + -148.7107 180.0000 180.0000 -113.8620 -79.5811 -136.8784 180.0000 -79.2469 + -140.4010 -126.7418 -125.1322 -76.5724 + Initial conformation 69 + 92.2388 92.2388 90.3570 89.0899 88.6572 93.0319 94.8258 87.9664 + 89.9076 100.1805 109.0732 89.5374 91.8151 101.7839 92.2014 133.2247 + 121.5017 117.9501 114.2013 114.2013 + -180.0000 45.8488 55.1936 49.3961 48.2980 46.8430 59.6233 56.6787 + -87.3042 -127.4990 4.2610 66.1079 70.1396 -108.9488 103.8242 -122.5265 + -90.2854 -108.3282 180.0000 0.0000 + 108.3835 138.1269 123.7390 132.4438 130.6211 145.4112 165.0647 168.8815 + 146.0514 180.0000 180.0000 95.8431 108.9354 147.0162 180.0000 136.1900 + 117.8128 130.8662 130.1182 140.3184 + -95.8436 -114.4963 -5.0197 -92.4617 -108.1723 9.2137 -151.0980 -159.0397 + -115.9943 180.0000 180.0000 -112.6938 -80.7086 -58.2128 180.0000 -88.0681 + -122.0887 -138.8034 -140.4667 -80.3761 + Initial conformation 70 + 92.2388 92.2388 90.3570 89.0899 88.6572 93.0319 94.8258 87.9664 + 89.9076 100.1805 109.0732 89.5374 91.8151 101.7839 92.2014 133.2247 + 121.5017 117.9501 114.2013 114.2013 + -180.0000 45.8488 55.1936 49.3961 48.2980 46.8430 59.6233 56.6787 + -87.3042 -127.4990 4.2610 66.1079 70.1396 -108.9488 103.8242 -122.5265 + -90.2854 -108.3282 180.0000 0.0000 + 143.5893 154.5010 127.0177 146.5167 125.9009 154.0031 164.8514 167.3390 + 115.7185 180.0000 180.0000 100.8242 139.0551 147.7136 180.0000 110.5899 + 122.7654 122.9959 113.8867 130.1777 + -165.9673 -128.9208 -22.2914 -77.8901 -102.4132 131.8047 -151.7848 -53.2511 + -107.3340 180.0000 180.0000 -132.8091 -107.0792 -63.9340 180.0000 -3.3317 + -136.9911 -130.0602 -111.3472 -77.9886 + Initial conformation 71 + 92.2388 92.2388 90.3570 89.0899 88.6572 93.0319 94.8258 87.9664 + 89.9076 100.1805 109.0732 89.5374 91.8151 101.7839 92.2014 133.2247 + 121.5017 117.9501 114.2013 114.2013 + -180.0000 45.8488 55.1936 49.3961 48.2980 46.8430 59.6233 56.6787 + -87.3042 -127.4990 4.2610 66.1079 70.1396 -108.9488 103.8242 -122.5265 + -90.2854 -108.3282 180.0000 0.0000 + 127.4734 162.5456 118.4715 143.3332 176.2143 158.4239 146.0860 145.4559 + 118.6470 180.0000 180.0000 98.1266 111.8941 134.4766 180.0000 145.6690 + 127.7769 108.9259 123.5145 102.7754 + -138.0217 -30.2993 -101.2841 -87.8530 0.9494 24.6278 -110.9007 -169.5290 + -85.2839 180.0000 180.0000 -122.3429 -69.8761 -80.8634 180.0000 -174.2579 + -131.6773 -119.0134 -124.8622 -68.9356 + Initial conformation 72 + 92.2388 92.2388 90.3570 89.0899 88.6572 93.0319 94.8258 87.9664 + 89.9076 100.1805 109.0732 89.5374 91.8151 101.7839 92.2014 133.2247 + 121.5017 117.9501 114.2013 114.2013 + -180.0000 45.8488 55.1936 49.3961 48.2980 46.8430 59.6233 56.6787 + -87.3042 -127.4990 4.2610 66.1079 70.1396 -108.9488 103.8242 -122.5265 + -90.2854 -108.3282 180.0000 0.0000 + 157.4520 154.8566 133.3314 131.6198 152.2200 167.6684 152.5852 155.9765 + 120.5346 180.0000 180.0000 96.8193 140.4228 94.9231 180.0000 128.4621 + 131.3200 123.6435 119.7205 107.4586 + -46.4528 -115.6921 -139.2932 -83.0220 -113.1309 161.0749 -128.2234 -129.8734 + -81.8922 180.0000 180.0000 -95.5107 -87.3872 -71.1014 180.0000 -70.5485 + -137.6261 -137.3229 -119.2832 -70.2485 + Initial conformation 73 + 92.2388 92.2388 90.3570 89.0899 88.6572 93.0319 94.8258 87.9664 + 89.9076 100.1805 109.0732 89.5374 91.8151 101.7839 92.2014 133.2247 + 121.5017 117.9501 114.2013 114.2013 + -180.0000 45.8488 55.1936 49.3961 48.2980 46.8430 59.6233 56.6787 + -87.3042 -127.4990 4.2610 66.1079 70.1396 -108.9488 103.8242 -122.5265 + -90.2854 -108.3282 180.0000 0.0000 + 159.3770 159.7172 144.5108 143.6777 135.9803 177.0252 163.5041 114.0261 + 105.8825 180.0000 180.0000 98.3036 113.6031 147.6530 180.0000 118.0165 + 121.0318 113.8628 120.9175 149.9331 + -101.1037 -21.8837 158.4528 -88.0859 -94.0356 124.3121 -141.1649 -111.5598 + -88.2266 180.0000 180.0000 -98.8578 -70.2412 -146.7998 180.0000 -83.6725 + -131.0498 -125.5771 -125.7421 -159.4800 + Initial conformation 74 + 92.2388 92.2388 90.3570 89.0899 88.6572 93.0319 94.8258 87.9664 + 89.9076 100.1805 109.0732 89.5374 91.8151 101.7839 92.2014 133.2247 + 121.5017 117.9501 114.2013 114.2013 + -180.0000 45.8488 55.1936 49.3961 48.2980 46.8430 59.6233 56.6787 + -87.3042 -127.4990 4.2610 66.1079 70.1396 -108.9488 103.8242 -122.5265 + -90.2854 -108.3282 180.0000 0.0000 + 143.4151 145.9962 147.4385 142.6530 162.7652 123.9564 154.2802 155.8332 + 147.6850 180.0000 180.0000 97.2377 156.3705 165.9676 180.0000 113.2058 + 104.9603 108.2798 117.0766 145.2318 + -163.5161 -109.8188 -160.8427 -101.4495 -120.0161 -0.1427 -11.8643 -119.5628 + -144.0643 180.0000 180.0000 -132.8843 -152.6829 -42.3517 180.0000 -64.5275 + -107.4640 -115.0818 -120.8063 163.8117 + Initial conformation 75 + 92.2388 92.2388 90.3570 89.0899 88.6572 93.0319 94.8258 87.9664 + 89.9076 100.1805 109.0732 89.5374 91.8151 101.7839 92.2014 133.2247 + 121.5017 117.9501 114.2013 114.2013 + -180.0000 45.8488 55.1936 49.3961 48.2980 46.8430 59.6233 56.6787 + -87.3042 -127.4990 4.2610 66.1079 70.1396 -108.9488 103.8242 -122.5265 + -90.2854 -108.3282 180.0000 0.0000 + 160.2775 150.5201 137.2036 145.3797 140.4191 138.4905 166.5051 131.0816 + 114.9190 180.0000 180.0000 100.0181 105.4904 140.9658 180.0000 124.6008 + 125.1088 117.6770 121.4259 105.6852 + -15.5891 -141.6160 166.5851 -87.9786 -144.7612 -144.6030 -141.9448 -41.2771 + -67.6576 180.0000 180.0000 -106.4769 -67.4476 -113.7077 180.0000 -70.3926 + -136.2032 -129.5297 -126.1536 -59.1131 + Initial conformation 76 + 92.2388 92.2388 90.3570 89.0899 88.6572 93.0319 94.8258 87.9664 + 89.9076 100.1805 109.0732 89.5374 91.8151 101.7839 92.2014 133.2247 + 121.5017 117.9501 114.2013 114.2013 + -180.0000 45.8488 55.1936 49.3961 48.2980 46.8430 59.6233 56.6787 + -87.3042 -127.4990 4.2610 66.1079 70.1396 -108.9488 103.8242 -122.5265 + -90.2854 -108.3282 180.0000 0.0000 + 157.0820 153.3727 140.0341 148.0387 161.6534 154.1480 165.1387 136.7441 + 121.3179 180.0000 180.0000 105.5009 133.8828 92.0079 180.0000 123.9416 + 118.9854 115.9229 104.3074 140.8594 + -2.9768 -15.4809 -167.9524 -80.0295 -109.5539 -178.7033 -154.9693 -151.4720 + -95.0822 180.0000 180.0000 -140.9653 -27.7759 -68.6345 180.0000 149.9229 + -128.3682 -113.4669 -105.5226 -166.3011 + Initial conformation 77 + 92.2388 92.2388 90.3570 89.0899 88.6572 93.0319 94.8258 87.9664 + 89.9076 100.1805 109.0732 89.5374 91.8151 101.7839 92.2014 133.2247 + 121.5017 117.9501 114.2013 114.2013 + -180.0000 45.8488 55.1936 49.3961 48.2980 46.8430 59.6233 56.6787 + -87.3042 -127.4990 4.2610 66.1079 70.1396 -108.9488 103.8242 -122.5265 + -90.2854 -108.3282 180.0000 0.0000 + 147.6359 142.7836 128.2562 144.7918 168.4673 129.4609 156.1264 154.5149 + 147.0229 180.0000 180.0000 103.0634 153.6865 120.4095 180.0000 138.8089 + 122.8693 110.5047 120.9237 97.9819 + -173.3938 -113.6511 -8.2064 -69.2167 -137.3834 -44.9426 -161.2049 -148.4015 + -105.4583 180.0000 180.0000 -110.6657 -51.6905 -78.4677 180.0000 -50.1690 + -134.7241 -111.1835 -123.8097 -71.2694 + Initial conformation 78 + 92.2388 92.2388 90.3570 89.0899 88.6572 93.0319 94.8258 87.9664 + 89.9076 100.1805 109.0732 89.5374 91.8151 101.7839 92.2014 133.2247 + 121.5017 117.9501 114.2013 114.2013 + -180.0000 45.8488 55.1936 49.3961 48.2980 46.8430 59.6233 56.6787 + -87.3042 -127.4990 4.2610 66.1079 70.1396 -108.9488 103.8242 -122.5265 + -90.2854 -108.3282 180.0000 0.0000 + 163.1107 151.9614 141.1265 145.3676 138.9148 103.0636 161.1383 137.5169 + 130.5429 180.0000 180.0000 104.5595 126.9056 149.7087 180.0000 123.7379 + 115.0273 124.0294 120.8060 137.3657 + -144.6725 -126.7898 6.9820 -78.8360 -103.1919 -40.7963 -18.0931 -116.7977 + -116.4933 180.0000 180.0000 -141.6805 -20.6520 -129.6601 180.0000 -171.9619 + -118.6284 -129.9642 -128.2407 -94.0428 + Initial conformation 79 + 92.2388 92.2388 90.3570 89.0899 88.6572 93.0319 94.8258 87.9664 + 89.9076 100.1805 109.0732 89.5374 91.8151 101.7839 92.2014 133.2247 + 121.5017 117.9501 114.2013 114.2013 + -180.0000 45.8488 55.1936 49.3961 48.2980 46.8430 59.6233 56.6787 + -87.3042 -127.4990 4.2610 66.1079 70.1396 -108.9488 103.8242 -122.5265 + -90.2854 -108.3282 180.0000 0.0000 + 155.6260 161.9030 167.7261 148.4302 130.6042 163.0094 141.1657 128.4349 + 165.0901 180.0000 180.0000 100.4383 159.4916 165.6940 180.0000 118.9276 + 125.7380 122.3678 127.8601 150.2393 + -155.9152 -27.1033 -174.9001 -93.8776 -10.7931 144.5843 -101.8763 -56.0757 + 4.4085 180.0000 180.0000 -106.5034 -100.1897 -56.1536 180.0000 -145.4521 + -134.0938 -129.4669 -131.0845 -90.1444 + Initial conformation 80 + 92.2388 92.2388 90.3570 89.0899 88.6572 93.0319 94.8258 87.9664 + 89.9076 100.1805 109.0732 89.5374 91.8151 101.7839 92.2014 133.2247 + 121.5017 117.9501 114.2013 114.2013 + -180.0000 45.8488 55.1936 49.3961 48.2980 46.8430 59.6233 56.6787 + -87.3042 -127.4990 4.2610 66.1079 70.1396 -108.9488 103.8242 -122.5265 + -90.2854 -108.3282 180.0000 0.0000 + 160.4147 154.1721 131.1852 158.3182 155.7663 162.6978 163.5713 154.8910 + 145.6477 180.0000 180.0000 99.1544 98.5877 156.5467 180.0000 118.2175 + 123.8176 125.8554 118.6282 123.2103 + 4.8036 -146.4612 -154.8814 -81.3063 -150.9416 -161.1856 -156.3914 -83.7611 + -93.1949 180.0000 180.0000 -113.7700 -82.2878 -97.2800 180.0000 -146.3590 + -136.9379 -132.4519 -116.1964 -33.6803 + Initial conformation 81 + 92.2388 92.2388 90.3570 89.0899 88.6572 93.0319 94.8258 87.9664 + 89.9076 100.1805 109.0732 89.5374 91.8151 101.7839 92.2014 133.2247 + 121.5017 117.9501 114.2013 114.2013 + -180.0000 45.8488 55.1936 49.3961 48.2980 46.8430 59.6233 56.6787 + -87.3042 -127.4990 4.2610 66.1079 70.1396 -108.9488 103.8242 -122.5265 + -90.2854 -108.3282 180.0000 0.0000 + 138.6688 150.6674 147.4383 130.7219 157.0122 111.5267 158.0380 134.8964 + 121.6019 180.0000 180.0000 102.8340 140.7608 109.9530 180.0000 151.1851 + 131.1454 121.6164 121.2607 99.8900 + -148.2079 -118.2888 143.0339 -72.4861 -91.9143 -76.8004 -114.8669 -115.3023 + -95.7315 180.0000 180.0000 -124.8429 -133.1092 -71.0821 180.0000 -104.9825 + -142.0025 -128.4330 -124.0362 -61.9056 + Initial conformation 82 + 92.2388 92.2388 90.3570 89.0899 88.6572 93.0319 94.8258 87.9664 + 89.9076 100.1805 109.0732 89.5374 91.8151 101.7839 92.2014 133.2247 + 121.5017 117.9501 114.2013 114.2013 + -180.0000 45.8488 55.1936 49.3961 48.2980 46.8430 59.6233 56.6787 + -87.3042 -127.4990 4.2610 66.1079 70.1396 -108.9488 103.8242 -122.5265 + -90.2854 -108.3282 180.0000 0.0000 + 145.9355 165.5575 155.6915 140.9405 131.3595 128.9953 157.4201 147.8772 + 142.6909 180.0000 180.0000 96.1081 159.6764 146.8015 180.0000 144.4712 + 121.7229 117.9490 127.0547 158.1741 + -163.5560 -98.1551 179.9910 -115.6109 -124.1805 164.3411 -131.3787 -119.1130 + -137.4924 180.0000 180.0000 -104.5775 -41.4266 -107.7130 180.0000 128.9874 + -137.1331 -120.1373 -127.8522 -112.4676 + Initial conformation 83 + 92.2388 92.2388 90.3570 89.0899 88.6572 93.0319 94.8258 87.9664 + 89.9076 100.1805 109.0732 89.5374 91.8151 101.7839 92.2014 133.2247 + 121.5017 117.9501 114.2013 114.2013 + -180.0000 45.8488 55.1936 49.3961 48.2980 46.8430 59.6233 56.6787 + -87.3042 -127.4990 4.2610 66.1079 70.1396 -108.9488 103.8242 -122.5265 + -90.2854 -108.3282 180.0000 0.0000 + 154.8607 151.0228 157.4104 135.2758 158.9697 165.1155 159.2151 151.9257 + 143.5343 180.0000 180.0000 98.4683 112.9779 145.1337 180.0000 146.9635 + 118.5647 118.3549 116.7850 129.9219 + -173.7827 -134.5472 169.0797 -81.2084 156.9932 145.8516 -172.3444 -79.8593 + -141.8134 180.0000 180.0000 -84.4234 -66.3396 -116.3077 180.0000 -162.3892 + -125.4272 -119.7018 -125.9967 -78.3055 + Initial conformation 84 + 92.2388 92.2388 90.3570 89.0899 88.6572 93.0319 94.8258 87.9664 + 89.9076 100.1805 109.0732 89.5374 91.8151 101.7839 92.2014 133.2247 + 121.5017 117.9501 114.2013 114.2013 + -180.0000 45.8488 55.1936 49.3961 48.2980 46.8430 59.6233 56.6787 + -87.3042 -127.4990 4.2610 66.1079 70.1396 -108.9488 103.8242 -122.5265 + -90.2854 -108.3282 180.0000 0.0000 + 103.9749 158.3183 137.5213 147.1619 125.3917 164.3058 171.9888 140.0104 + 138.5182 180.0000 180.0000 101.8547 159.0618 156.6159 180.0000 123.2854 + 126.5044 129.7888 116.3202 136.7913 + -79.3640 -7.4472 -167.3094 -93.7330 -74.5385 3.8337 -102.1686 -54.6599 + -107.5293 180.0000 180.0000 -117.3183 -90.3465 -136.8195 180.0000 -135.1288 + -138.7432 -129.8387 -117.3378 -29.0006 + Initial conformation 85 + 92.2388 92.2388 90.3570 89.0899 88.6572 93.0319 94.8258 87.9664 + 89.9076 100.1805 109.0732 89.5374 91.8151 101.7839 92.2014 133.2247 + 121.5017 117.9501 114.2013 114.2013 + -180.0000 45.8488 55.1936 49.3961 48.2980 46.8430 59.6233 56.6787 + -87.3042 -127.4990 4.2610 66.1079 70.1396 -108.9488 103.8242 -122.5265 + -90.2854 -108.3282 180.0000 0.0000 + 161.0404 161.9482 128.4654 134.6506 143.9276 118.4198 165.5929 140.7263 + 147.2774 180.0000 180.0000 109.7995 164.4235 131.5476 180.0000 145.6930 + 120.1913 126.3389 112.6009 108.4064 + -36.7338 -141.6488 -26.0544 -87.1568 -162.6047 178.9791 -144.5336 -108.6643 + -124.3217 180.0000 180.0000 -133.4380 -36.2676 -97.2320 180.0000 -122.9356 + -133.3281 -132.4065 -112.9166 -61.7328 + Initial conformation 86 + 92.2388 92.2388 90.3570 89.0899 88.6572 93.0319 94.8258 87.9664 + 89.9076 100.1805 109.0732 89.5374 91.8151 101.7839 92.2014 133.2247 + 121.5017 117.9501 114.2013 114.2013 + -180.0000 45.8488 55.1936 49.3961 48.2980 46.8430 59.6233 56.6787 + -87.3042 -127.4990 4.2610 66.1079 70.1396 -108.9488 103.8242 -122.5265 + -90.2854 -108.3282 180.0000 0.0000 + 153.6882 155.6413 133.2052 123.8334 130.2034 156.3169 160.4959 127.8954 + 140.9028 180.0000 180.0000 92.4666 107.2393 104.0611 180.0000 136.2197 + 131.4420 123.0263 120.3339 97.6316 + -144.0218 -139.2410 -10.6532 -67.4521 -94.0136 158.0226 -15.0719 -23.9713 + -127.4900 180.0000 180.0000 -108.7328 -67.5295 -58.9810 180.0000 -117.1100 + -148.6991 -125.6807 -126.5441 -73.5061 + Initial conformation 87 + 92.2388 92.2388 90.3570 89.0899 88.6572 93.0319 94.8258 87.9664 + 89.9076 100.1805 109.0732 89.5374 91.8151 101.7839 92.2014 133.2247 + 121.5017 117.9501 114.2013 114.2013 + -180.0000 45.8488 55.1936 49.3961 48.2980 46.8430 59.6233 56.6787 + -87.3042 -127.4990 4.2610 66.1079 70.1396 -108.9488 103.8242 -122.5265 + -90.2854 -108.3282 180.0000 0.0000 + 147.3604 160.4462 137.4386 148.4012 125.5396 141.2493 141.7235 134.3824 + 162.2053 180.0000 180.0000 104.0355 150.9915 167.7560 180.0000 141.6018 + 129.6901 126.2382 115.7973 94.3392 + -88.8766 -93.7108 -20.0996 -90.0120 162.9944 15.5137 -42.8192 -122.6542 + -7.4957 180.0000 180.0000 -130.7069 -139.9419 -105.6180 180.0000 -140.0375 + -142.6517 -130.9422 -123.8059 -66.6082 + Initial conformation 88 + 92.2388 92.2388 90.3570 89.0899 88.6572 93.0319 94.8258 87.9664 + 89.9076 100.1805 109.0732 89.5374 91.8151 101.7839 92.2014 133.2247 + 121.5017 117.9501 114.2013 114.2013 + -180.0000 45.8488 55.1936 49.3961 48.2980 46.8430 59.6233 56.6787 + -87.3042 -127.4990 4.2610 66.1079 70.1396 -108.9488 103.8242 -122.5265 + -90.2854 -108.3282 180.0000 0.0000 + 165.5193 149.5623 108.0119 154.4610 132.2015 152.8778 148.0747 177.8308 + 115.6727 180.0000 180.0000 101.5919 150.3571 145.1113 180.0000 151.8345 + 116.5859 125.1456 123.9182 138.4675 + 3.7361 -63.7500 -105.2874 -89.1114 -138.8252 141.0338 -80.6275 -149.6101 + -79.0297 180.0000 180.0000 -134.2391 -63.6859 -32.9523 180.0000 -140.4119 + -114.3563 -129.4442 -126.9386 -60.0931 + Initial conformation 89 + 92.2388 92.2388 90.3570 89.0899 88.6572 93.0319 94.8258 87.9664 + 89.9076 100.1805 109.0732 89.5374 91.8151 101.7839 92.2014 133.2247 + 121.5017 117.9501 114.2013 114.2013 + -180.0000 45.8488 55.1936 49.3961 48.2980 46.8430 59.6233 56.6787 + -87.3042 -127.4990 4.2610 66.1079 70.1396 -108.9488 103.8242 -122.5265 + -90.2854 -108.3282 180.0000 0.0000 + 159.1613 143.5783 148.6148 147.9904 152.7513 160.8621 147.2744 150.3322 + 151.7238 180.0000 180.0000 105.7488 109.1477 100.9749 180.0000 135.7567 + 132.3271 120.4770 126.0493 149.6110 + -154.2235 -105.9032 -167.7392 -69.1977 151.5409 138.7993 -99.9181 149.2653 + -130.1000 180.0000 180.0000 -122.5497 -64.4067 -65.1661 180.0000 -144.0578 + -138.2594 -126.9759 -132.2492 -49.0377 + Initial conformation 90 + 92.2388 92.2388 90.3570 89.0899 88.6572 93.0319 94.8258 87.9664 + 89.9076 100.1805 109.0732 89.5374 91.8151 101.7839 92.2014 133.2247 + 121.5017 117.9501 114.2013 114.2013 + -180.0000 45.8488 55.1936 49.3961 48.2980 46.8430 59.6233 56.6787 + -87.3042 -127.4990 4.2610 66.1079 70.1396 -108.9488 103.8242 -122.5265 + -90.2854 -108.3282 180.0000 0.0000 + 164.1574 142.3454 141.7570 132.8939 135.8859 151.0938 159.0817 134.6216 + 147.5400 180.0000 180.0000 100.8830 137.9345 98.8237 180.0000 157.2467 + 124.0142 123.7594 123.9270 134.6995 + -116.5915 -98.7294 -163.9703 -93.9181 -43.4826 17.0716 -123.2915 -103.9440 + -85.3864 180.0000 180.0000 -111.5495 -59.6953 -67.7917 180.0000 -59.4438 + -131.7392 -130.0963 -122.8130 -116.7993 + Initial conformation 91 + 92.2388 92.2388 90.3570 89.0899 88.6572 93.0319 94.8258 87.9664 + 89.9076 100.1805 109.0732 89.5374 91.8151 101.7839 92.2014 133.2247 + 121.5017 117.9501 114.2013 114.2013 + -180.0000 45.8488 55.1936 49.3961 48.2980 46.8430 59.6233 56.6787 + -87.3042 -127.4990 4.2610 66.1079 70.1396 -108.9488 103.8242 -122.5265 + -90.2854 -108.3282 180.0000 0.0000 + 156.4754 142.6736 149.4802 159.7474 140.0074 170.5904 141.9146 131.1162 + 106.0097 180.0000 180.0000 99.9009 109.7964 98.7933 180.0000 159.0998 + 128.6458 120.2727 116.4719 138.4187 + -21.9813 -97.6419 -160.2108 -83.0269 -155.8343 166.0069 -91.7466 -79.7920 + -82.1218 180.0000 180.0000 -111.1717 -69.1947 -62.4646 180.0000 157.6733 + -145.8028 -128.6388 -120.7003 -16.8366 + Initial conformation 92 + 92.2388 92.2388 90.3570 89.0899 88.6572 93.0319 94.8258 87.9664 + 89.9076 100.1805 109.0732 89.5374 91.8151 101.7839 92.2014 133.2247 + 121.5017 117.9501 114.2013 114.2013 + -180.0000 45.8488 55.1936 49.3961 48.2980 46.8430 59.6233 56.6787 + -87.3042 -127.4990 4.2610 66.1079 70.1396 -108.9488 103.8242 -122.5265 + -90.2854 -108.3282 180.0000 0.0000 + 129.4835 145.2588 147.2436 144.7539 144.7363 162.0896 151.9133 154.8900 + 143.9965 180.0000 180.0000 94.3132 113.9691 108.1049 180.0000 126.7929 + 111.3616 121.9109 108.7927 145.2796 + -149.0260 -120.4603 1.6631 -92.4649 -177.8208 101.3557 -154.3922 -105.8460 + -124.1445 180.0000 180.0000 -107.8441 -73.0373 -67.0889 180.0000 -81.3655 + -121.7723 -131.8713 -118.5210 -74.8997 + Initial conformation 93 + 92.2388 92.2388 90.3570 89.0899 88.6572 93.0319 94.8258 87.9664 + 89.9076 100.1805 109.0732 89.5374 91.8151 101.7839 92.2014 133.2247 + 121.5017 117.9501 114.2013 114.2013 + -180.0000 45.8488 55.1936 49.3961 48.2980 46.8430 59.6233 56.6787 + -87.3042 -127.4990 4.2610 66.1079 70.1396 -108.9488 103.8242 -122.5265 + -90.2854 -108.3282 180.0000 0.0000 + 115.1733 165.2875 152.5497 119.8362 146.9716 151.0591 152.9150 128.3074 + 137.7961 180.0000 180.0000 93.9652 96.2883 135.8501 180.0000 106.3028 + 121.8067 120.5992 121.8725 149.2803 + -84.9341 -137.0880 153.3158 -85.4571 -84.9857 -168.8742 -116.9332 -112.3587 + -148.5284 180.0000 180.0000 -102.2151 -72.3948 -99.5254 180.0000 46.5031 + -133.0678 -130.4600 -123.6985 -43.3783 + Initial conformation 94 + 92.2388 92.2388 90.3570 89.0899 88.6572 93.0319 94.8258 87.9664 + 89.9076 100.1805 109.0732 89.5374 91.8151 101.7839 92.2014 133.2247 + 121.5017 117.9501 114.2013 114.2013 + -180.0000 45.8488 55.1936 49.3961 48.2980 46.8430 59.6233 56.6787 + -87.3042 -127.4990 4.2610 66.1079 70.1396 -108.9488 103.8242 -122.5265 + -90.2854 -108.3282 180.0000 0.0000 + 100.2604 145.7548 144.3727 159.4947 151.1068 160.5681 160.6538 121.5756 + 143.3827 180.0000 180.0000 98.3310 158.2463 136.1384 180.0000 152.8224 + 114.3362 120.8326 121.3473 154.4304 + -87.6205 -150.1469 -7.0713 -82.1059 145.3438 -178.5498 -170.6856 -20.1514 + -0.4210 180.0000 180.0000 -112.4116 -55.9455 -166.1618 180.0000 -156.6675 + -126.7387 -127.0127 -125.0789 -68.0712 + Initial conformation 95 + 92.2388 92.2388 90.3570 89.0899 88.6572 93.0319 94.8258 87.9664 + 89.9076 100.1805 109.0732 89.5374 91.8151 101.7839 92.2014 133.2247 + 121.5017 117.9501 114.2013 114.2013 + -180.0000 45.8488 55.1936 49.3961 48.2980 46.8430 59.6233 56.6787 + -87.3042 -127.4990 4.2610 66.1079 70.1396 -108.9488 103.8242 -122.5265 + -90.2854 -108.3282 180.0000 0.0000 + 127.6390 173.7756 153.1013 133.2358 138.3775 137.2799 144.5316 146.7766 + 163.0860 180.0000 180.0000 97.1056 177.9041 175.4749 180.0000 134.0479 + 121.2987 115.0253 114.4516 130.9396 + -84.1724 -15.0844 -172.2292 -88.5410 -75.6910 -15.9674 -146.6359 167.5275 + 8.9516 180.0000 180.0000 -116.9068 -55.5023 -62.5631 180.0000 -100.0708 + -135.1954 -114.7358 -113.8360 -112.5764 + Initial conformation 96 + 92.2388 92.2388 90.3570 89.0899 88.6572 93.0319 94.8258 87.9664 + 89.9076 100.1805 109.0732 89.5374 91.8151 101.7839 92.2014 133.2247 + 121.5017 117.9501 114.2013 114.2013 + -180.0000 45.8488 55.1936 49.3961 48.2980 46.8430 59.6233 56.6787 + -87.3042 -127.4990 4.2610 66.1079 70.1396 -108.9488 103.8242 -122.5265 + -90.2854 -108.3282 180.0000 0.0000 + 146.2487 157.5701 147.3864 137.4593 155.2097 152.1668 157.1183 165.7017 + 102.2848 180.0000 180.0000 105.6955 113.7948 109.3825 180.0000 126.6036 + 118.0683 121.9687 128.0755 137.6295 + -88.8138 7.7945 -2.9705 -71.6648 -111.6812 -174.5213 -24.8140 -88.3653 + -83.4445 180.0000 180.0000 -113.7781 -76.6151 -73.1263 180.0000 55.3587 + -132.6019 -131.2500 -134.6104 -56.1589 + Initial conformation 97 + 92.2388 92.2388 90.3570 89.0899 88.6572 93.0319 94.8258 87.9664 + 89.9076 100.1805 109.0732 89.5374 91.8151 101.7839 92.2014 133.2247 + 121.5017 117.9501 114.2013 114.2013 + -180.0000 45.8488 55.1936 49.3961 48.2980 46.8430 59.6233 56.6787 + -87.3042 -127.4990 4.2610 66.1079 70.1396 -108.9488 103.8242 -122.5265 + -90.2854 -108.3282 180.0000 0.0000 + 132.2823 158.4103 153.7065 158.2660 150.6946 161.0871 137.1003 133.7420 + 134.0969 180.0000 180.0000 90.1363 140.6012 150.3970 180.0000 97.6002 + 125.1693 123.2437 128.1322 140.9836 + -165.1740 -147.6346 -16.7855 -84.8866 -90.9763 141.6988 -158.7501 -32.6499 + -37.8571 180.0000 180.0000 -106.9784 -132.5447 -104.8932 180.0000 174.4010 + -129.1731 -124.4289 -134.0348 -24.6043 + Initial conformation 98 + 92.2388 92.2388 90.3570 89.0899 88.6572 93.0319 94.8258 87.9664 + 89.9076 100.1805 109.0732 89.5374 91.8151 101.7839 92.2014 133.2247 + 121.5017 117.9501 114.2013 114.2013 + -180.0000 45.8488 55.1936 49.3961 48.2980 46.8430 59.6233 56.6787 + -87.3042 -127.4990 4.2610 66.1079 70.1396 -108.9488 103.8242 -122.5265 + -90.2854 -108.3282 180.0000 0.0000 + 159.4159 133.3815 125.1767 150.7067 124.9322 154.8126 146.9383 153.6433 + 124.3781 180.0000 180.0000 104.3953 163.0982 112.2599 180.0000 141.8694 + 120.3601 111.9905 110.6817 126.8827 + -157.3736 -162.1549 -99.0281 -85.7767 -117.2088 111.8385 -87.8861 -113.8041 + -102.0270 180.0000 180.0000 -130.1123 -83.0354 -67.0268 180.0000 -104.1330 + -124.2875 -110.2166 -108.6296 -80.4356 + Initial conformation 99 + 92.2388 92.2388 90.3570 89.0899 88.6572 93.0319 94.8258 87.9664 + 89.9076 100.1805 109.0732 89.5374 91.8151 101.7839 92.2014 133.2247 + 121.5017 117.9501 114.2013 114.2013 + -180.0000 45.8488 55.1936 49.3961 48.2980 46.8430 59.6233 56.6787 + -87.3042 -127.4990 4.2610 66.1079 70.1396 -108.9488 103.8242 -122.5265 + -90.2854 -108.3282 180.0000 0.0000 + 149.4422 155.4075 152.3797 135.3733 144.3641 150.7885 154.4573 133.4750 + 147.7721 180.0000 180.0000 105.9910 143.5474 153.5549 180.0000 131.9964 + 118.1896 126.6367 109.3047 134.2016 + -79.4154 -10.0515 -24.9491 -95.9759 -164.6262 168.6678 -14.3370 -96.4282 + -112.2158 180.0000 180.0000 -135.2812 -88.8355 -74.7221 180.0000 -16.5017 + -127.0429 -136.8235 -108.2215 -124.3014 + Initial conformation 100 + 92.2388 92.2388 90.3570 89.0899 88.6572 93.0319 94.8258 87.9664 + 89.9076 100.1805 109.0732 89.5374 91.8151 101.7839 92.2014 133.2247 + 121.5017 117.9501 114.2013 114.2013 + -180.0000 45.8488 55.1936 49.3961 48.2980 46.8430 59.6233 56.6787 + -87.3042 -127.4990 4.2610 66.1079 70.1396 -108.9488 103.8242 -122.5265 + -90.2854 -108.3282 180.0000 0.0000 + 142.2176 165.0211 154.0044 137.3935 144.2421 106.7399 166.9033 128.6840 + 141.1630 180.0000 180.0000 100.8687 106.8277 172.7472 180.0000 106.4690 + 120.1983 110.8615 118.9220 104.0714 + -178.2205 -137.0171 162.2396 -56.1689 -91.8440 -13.9550 -138.3954 -109.2460 + -114.1529 180.0000 180.0000 -108.0310 -71.9363 -106.1554 180.0000 158.1433 + -122.2878 -114.8826 -122.2123 -60.6787 + Initial conformation 101 + 92.2388 92.2388 90.3570 89.0899 88.6572 93.0319 94.8258 87.9664 + 89.9076 100.1805 109.0732 89.5374 91.8151 101.7839 92.2014 133.2247 + 121.5017 117.9501 114.2013 114.2013 + -180.0000 45.8488 55.1936 49.3961 48.2980 46.8430 59.6233 56.6787 + -87.3042 -127.4990 4.2610 66.1079 70.1396 -108.9488 103.8242 -122.5265 + -90.2854 -108.3282 180.0000 0.0000 + 142.9315 158.7579 141.8200 170.7336 143.2007 116.5604 139.9367 141.4036 + 147.0748 180.0000 180.0000 95.0908 109.1874 157.6809 180.0000 133.7642 + 117.5023 119.7978 121.8449 113.3265 + -106.9617 -30.0201 1.4304 -116.3666 -136.4222 -90.2799 -129.3140 -41.6162 + -99.8598 180.0000 180.0000 -102.4856 -64.0813 -84.4059 180.0000 173.1699 + -121.6426 -122.0059 -128.0906 -72.2068 + Initial conformation 102 + 92.2388 92.2388 90.3570 89.0899 88.6572 93.0319 94.8258 87.9664 + 89.9076 100.1805 109.0732 89.5374 91.8151 101.7839 92.2014 133.2247 + 121.5017 117.9501 114.2013 114.2013 + -180.0000 45.8488 55.1936 49.3961 48.2980 46.8430 59.6233 56.6787 + -87.3042 -127.4990 4.2610 66.1079 70.1396 -108.9488 103.8242 -122.5265 + -90.2854 -108.3282 180.0000 0.0000 + 160.4493 150.3148 138.4969 152.4485 139.2523 131.4741 154.5821 166.4966 + 127.6689 180.0000 180.0000 101.7512 144.4270 136.0909 180.0000 144.4739 + 117.8013 134.4144 126.6824 159.0312 + -30.4333 -106.6723 172.6241 -78.6699 -82.9958 164.1180 -34.9418 -86.0385 + -75.7960 180.0000 180.0000 -114.4185 -92.9261 -79.4268 180.0000 -137.5534 + -120.9336 -140.3526 -136.8381 -51.6013 + Initial conformation 103 + 92.2388 92.2388 90.3570 89.0899 88.6572 93.0319 94.8258 87.9664 + 89.9076 100.1805 109.0732 89.5374 91.8151 101.7839 92.2014 133.2247 + 121.5017 117.9501 114.2013 114.2013 + -180.0000 45.8488 55.1936 49.3961 48.2980 46.8430 59.6233 56.6787 + -87.3042 -127.4990 4.2610 66.1079 70.1396 -108.9488 103.8242 -122.5265 + -90.2854 -108.3282 180.0000 0.0000 + 147.7156 150.6793 150.1430 137.8082 114.9350 144.3918 169.7007 122.6655 + 134.7084 180.0000 180.0000 104.3451 151.6094 142.6330 180.0000 142.5441 + 130.2425 122.0687 127.9277 136.5137 + -128.9966 -106.3146 -3.9862 -70.3968 -91.0820 -9.9053 -168.2461 3.8487 + -110.7517 180.0000 180.0000 -102.5215 -82.7968 -4.3166 180.0000 171.8133 + -141.2745 -129.6890 -128.5698 -42.1065 + Initial conformation 104 + 92.2388 92.2388 90.3570 89.0899 88.6572 93.0319 94.8258 87.9664 + 89.9076 100.1805 109.0732 89.5374 91.8151 101.7839 92.2014 133.2247 + 121.5017 117.9501 114.2013 114.2013 + -180.0000 45.8488 55.1936 49.3961 48.2980 46.8430 59.6233 56.6787 + -87.3042 -127.4990 4.2610 66.1079 70.1396 -108.9488 103.8242 -122.5265 + -90.2854 -108.3282 180.0000 0.0000 + 151.6341 146.0236 150.4648 132.2097 148.8575 159.7930 170.7268 115.5744 + 144.3080 180.0000 180.0000 95.4063 100.7000 105.8883 180.0000 149.0254 + 121.8709 124.9903 121.8109 139.4130 + -109.0230 -126.2273 6.2228 -81.6408 -47.3365 160.0346 177.2796 -27.8023 + -104.4391 180.0000 180.0000 -113.2957 -61.2706 -56.3375 180.0000 -79.8516 + -128.9119 -123.0743 -124.8109 169.9391 + Initial conformation 105 + 92.2388 92.2388 90.3570 89.0899 88.6572 93.0319 94.8258 87.9664 + 89.9076 100.1805 109.0732 89.5374 91.8151 101.7839 92.2014 133.2247 + 121.5017 117.9501 114.2013 114.2013 + -180.0000 45.8488 55.1936 49.3961 48.2980 46.8430 59.6233 56.6787 + -87.3042 -127.4990 4.2610 66.1079 70.1396 -108.9488 103.8242 -122.5265 + -90.2854 -108.3282 180.0000 0.0000 + 148.2879 170.4057 162.2570 148.8565 139.4599 158.2172 154.7302 148.2528 + 137.8879 180.0000 180.0000 109.9033 98.7452 166.5175 180.0000 117.5816 + 113.8242 133.2248 124.0447 106.6335 + -88.0756 -114.5266 147.1080 -72.1667 -82.0320 -7.8440 13.2948 -49.1517 + -121.5125 180.0000 180.0000 -134.2700 -80.3962 -90.2625 180.0000 -16.9851 + -119.0075 -139.6535 -126.5323 -68.2454 + Initial conformation 106 + 92.2388 92.2388 90.3570 89.0899 88.6572 93.0319 94.8258 87.9664 + 89.9076 100.1805 109.0732 89.5374 91.8151 101.7839 92.2014 133.2247 + 121.5017 117.9501 114.2013 114.2013 + -180.0000 45.8488 55.1936 49.3961 48.2980 46.8430 59.6233 56.6787 + -87.3042 -127.4990 4.2610 66.1079 70.1396 -108.9488 103.8242 -122.5265 + -90.2854 -108.3282 180.0000 0.0000 + 152.7503 162.1524 154.4782 141.0755 156.1933 140.3835 162.5541 140.0150 + 141.5918 180.0000 180.0000 92.7893 120.0990 162.1470 180.0000 109.1364 + 120.3007 122.9872 116.0798 105.5976 + -14.4723 -119.2234 158.0109 -95.4714 -108.5406 5.4450 -14.3045 -96.0335 + -125.1300 180.0000 180.0000 -95.0194 -70.4266 -126.3411 180.0000 -97.2395 + -133.7051 -125.8798 -115.0199 -62.0619 + Initial conformation 107 + 92.2388 92.2388 90.3570 89.0899 88.6572 93.0319 94.8258 87.9664 + 89.9076 100.1805 109.0732 89.5374 91.8151 101.7839 92.2014 133.2247 + 121.5017 117.9501 114.2013 114.2013 + -180.0000 45.8488 55.1936 49.3961 48.2980 46.8430 59.6233 56.6787 + -87.3042 -127.4990 4.2610 66.1079 70.1396 -108.9488 103.8242 -122.5265 + -90.2854 -108.3282 180.0000 0.0000 + 117.2905 158.4527 162.6346 141.4072 130.2504 174.0120 156.4140 127.4394 + 135.9830 180.0000 180.0000 98.1796 102.5665 93.9084 180.0000 124.8203 + 117.3935 117.8065 126.4909 129.4415 + -89.2797 170.3453 177.4535 -82.2786 -90.8068 -179.2610 -114.3554 -64.2321 + -132.4305 180.0000 180.0000 -108.3622 -57.1572 -60.2269 180.0000 28.2356 + -122.1974 -121.8937 -141.9621 -43.9202 + Initial conformation 108 + 92.2388 92.2388 90.3570 89.0899 88.6572 93.0319 94.8258 87.9664 + 89.9076 100.1805 109.0732 89.5374 91.8151 101.7839 92.2014 133.2247 + 121.5017 117.9501 114.2013 114.2013 + -180.0000 45.8488 55.1936 49.3961 48.2980 46.8430 59.6233 56.6787 + -87.3042 -127.4990 4.2610 66.1079 70.1396 -108.9488 103.8242 -122.5265 + -90.2854 -108.3282 180.0000 0.0000 + 151.3769 162.6109 135.8237 142.7729 156.2127 148.8468 142.4466 141.7997 + 122.3063 180.0000 180.0000 90.4909 160.5181 129.7421 180.0000 134.3614 + 116.8251 123.3623 123.6293 142.0561 + -102.2278 -126.9709 -6.0589 -94.5056 -71.8244 161.0275 -105.5346 -163.5989 + -82.7956 180.0000 180.0000 -110.6082 -114.8260 -33.1065 180.0000 131.6137 + -127.3305 -129.7317 -137.6445 -116.8124 + Initial conformation 109 + 92.2388 92.2388 90.3570 89.0899 88.6572 93.0319 94.8258 87.9664 + 89.9076 100.1805 109.0732 89.5374 91.8151 101.7839 92.2014 133.2247 + 121.5017 117.9501 114.2013 114.2013 + -180.0000 45.8488 55.1936 49.3961 48.2980 46.8430 59.6233 56.6787 + -87.3042 -127.4990 4.2610 66.1079 70.1396 -108.9488 103.8242 -122.5265 + -90.2854 -108.3282 180.0000 0.0000 + 140.3875 163.1073 139.6561 138.9926 140.6644 129.4980 155.6212 141.6699 + 161.3500 180.0000 180.0000 95.4208 109.2782 141.1314 180.0000 142.3919 + 130.2161 117.8631 122.5513 131.9424 + -161.1367 -163.7390 179.2805 -78.6646 -81.3434 -17.7722 -106.7261 -85.1482 + -151.9290 180.0000 180.0000 -96.0223 -69.5113 -68.1234 180.0000 117.7821 + -127.8417 -119.4620 -132.8718 -75.5791 + Initial conformation 110 + 92.2388 92.2388 90.3570 89.0899 88.6572 93.0319 94.8258 87.9664 + 89.9076 100.1805 109.0732 89.5374 91.8151 101.7839 92.2014 133.2247 + 121.5017 117.9501 114.2013 114.2013 + -180.0000 45.8488 55.1936 49.3961 48.2980 46.8430 59.6233 56.6787 + -87.3042 -127.4990 4.2610 66.1079 70.1396 -108.9488 103.8242 -122.5265 + -90.2854 -108.3282 180.0000 0.0000 + 154.5068 158.0699 141.7483 138.2300 155.1500 136.1931 135.6932 138.8431 + 156.0776 180.0000 180.0000 95.6282 124.8574 159.8289 180.0000 127.3397 + 115.3487 118.6238 113.3611 108.5857 + -166.6124 -8.1728 146.1300 -81.7667 -106.8752 -0.5341 -109.3190 -107.2080 + -153.9142 180.0000 180.0000 -107.1326 -111.8210 164.9903 180.0000 -51.5357 + -120.9814 -119.3275 -121.2025 -66.3099 + Initial conformation 111 + 92.2388 92.2388 90.3570 89.0899 88.6572 93.0319 94.8258 87.9664 + 89.9076 100.1805 109.0732 89.5374 91.8151 101.7839 92.2014 133.2247 + 121.5017 117.9501 114.2013 114.2013 + -180.0000 45.8488 55.1936 49.3961 48.2980 46.8430 59.6233 56.6787 + -87.3042 -127.4990 4.2610 66.1079 70.1396 -108.9488 103.8242 -122.5265 + -90.2854 -108.3282 180.0000 0.0000 + 149.5200 149.2991 142.2583 147.5176 132.9704 134.8319 146.5176 165.0337 + 151.7941 180.0000 180.0000 98.6307 129.9513 105.1696 180.0000 128.4389 + 124.3628 119.8039 123.0514 149.5813 + -122.7159 -106.3500 176.9381 -78.0907 -89.0643 5.2951 -105.3641 125.3884 + -43.8799 180.0000 180.0000 -105.8960 -129.2723 -72.7383 180.0000 -72.3769 + -127.9011 -127.1922 -129.4840 -98.0653 + Initial conformation 112 + 92.2388 92.2388 90.3570 89.0899 88.6572 93.0319 94.8258 87.9664 + 89.9076 100.1805 109.0732 89.5374 91.8151 101.7839 92.2014 133.2247 + 121.5017 117.9501 114.2013 114.2013 + -180.0000 45.8488 55.1936 49.3961 48.2980 46.8430 59.6233 56.6787 + -87.3042 -127.4990 4.2610 66.1079 70.1396 -108.9488 103.8242 -122.5265 + -90.2854 -108.3282 180.0000 0.0000 + 157.3977 156.8366 133.4888 159.1451 142.1898 139.8647 172.2826 155.0407 + 138.2843 180.0000 180.0000 82.9754 161.1034 124.7911 180.0000 131.0736 + 118.8144 112.0388 120.4300 128.4953 + -13.3954 -124.3738 4.7690 -45.1635 -45.5899 -109.7476 -123.1268 161.4175 + -99.1092 180.0000 180.0000 -99.0551 -74.1685 -98.2477 180.0000 -30.6034 + -125.1067 -118.8363 -124.4903 -61.0741 + Initial conformation 113 + 92.2388 92.2388 90.3570 89.0899 88.6572 93.0319 94.8258 87.9664 + 89.9076 100.1805 109.0732 89.5374 91.8151 101.7839 92.2014 133.2247 + 121.5017 117.9501 114.2013 114.2013 + -180.0000 45.8488 55.1936 49.3961 48.2980 46.8430 59.6233 56.6787 + -87.3042 -127.4990 4.2610 66.1079 70.1396 -108.9488 103.8242 -122.5265 + -90.2854 -108.3282 180.0000 0.0000 + 156.6828 146.2214 156.3859 141.1764 157.7599 163.2672 142.7045 137.5518 + 132.2022 180.0000 180.0000 93.4448 111.8907 94.5316 180.0000 156.4150 + 118.4726 119.5310 113.0629 106.5293 + -5.7435 -93.9370 -157.2889 -78.3131 121.5108 165.3997 -146.0197 -81.9865 + -130.9521 180.0000 180.0000 -111.7747 -70.9406 -63.9503 180.0000 -150.9027 + -131.0948 -116.1983 -115.9439 -57.0328 + Initial conformation 114 + 92.2388 92.2388 90.3570 89.0899 88.6572 93.0319 94.8258 87.9664 + 89.9076 100.1805 109.0732 89.5374 91.8151 101.7839 92.2014 133.2247 + 121.5017 117.9501 114.2013 114.2013 + -180.0000 45.8488 55.1936 49.3961 48.2980 46.8430 59.6233 56.6787 + -87.3042 -127.4990 4.2610 66.1079 70.1396 -108.9488 103.8242 -122.5265 + -90.2854 -108.3282 180.0000 0.0000 + 132.7796 139.3145 139.4419 148.6369 128.5005 109.0909 152.0738 125.9470 + 142.5553 180.0000 180.0000 100.7310 153.2088 108.2500 180.0000 133.4923 + 127.3240 110.6310 127.6976 93.0037 + -161.4783 -146.0561 -176.3937 -96.6247 -24.7856 -20.1099 -113.7309 160.0701 + -115.3083 180.0000 180.0000 -110.7414 -15.6138 -65.0376 180.0000 -63.7557 + -139.2584 -111.3064 -132.1916 -62.2876 + Initial conformation 115 + 92.2388 92.2388 90.3570 89.0899 88.6572 93.0319 94.8258 87.9664 + 89.9076 100.1805 109.0732 89.5374 91.8151 101.7839 92.2014 133.2247 + 121.5017 117.9501 114.2013 114.2013 + -180.0000 45.8488 55.1936 49.3961 48.2980 46.8430 59.6233 56.6787 + -87.3042 -127.4990 4.2610 66.1079 70.1396 -108.9488 103.8242 -122.5265 + -90.2854 -108.3282 180.0000 0.0000 + 138.4769 164.0906 149.6926 124.3750 147.1456 162.1458 157.2957 119.7397 + 137.5402 180.0000 180.0000 96.1951 145.0948 105.6182 180.0000 122.5879 + 108.7883 115.4219 127.5988 147.8573 + -132.0727 -140.0948 -11.9003 -62.6503 -144.2801 75.0572 -54.0790 -143.6317 + -140.0568 180.0000 180.0000 -110.4158 -64.0839 -58.7394 180.0000 35.9722 + -111.6837 -123.5395 -137.1434 -98.3599 + Initial conformation 116 + 92.2388 92.2388 90.3570 89.0899 88.6572 93.0319 94.8258 87.9664 + 89.9076 100.1805 109.0732 89.5374 91.8151 101.7839 92.2014 133.2247 + 121.5017 117.9501 114.2013 114.2013 + -180.0000 45.8488 55.1936 49.3961 48.2980 46.8430 59.6233 56.6787 + -87.3042 -127.4990 4.2610 66.1079 70.1396 -108.9488 103.8242 -122.5265 + -90.2854 -108.3282 180.0000 0.0000 + 139.8103 167.2384 111.5305 156.7741 152.9151 132.8800 142.5641 152.3929 + 111.9136 180.0000 180.0000 89.9935 150.4314 143.8866 180.0000 118.9717 + 114.9003 122.8984 130.0062 156.3115 + -174.9680 -24.7014 -112.2173 -71.2524 -49.7658 -4.0631 -33.7728 -144.6649 + -84.3323 180.0000 180.0000 -102.7272 -157.3664 -78.7483 180.0000 -75.0538 + -124.6281 -121.3428 -141.0306 -33.9484 + Initial conformation 117 + 92.2388 92.2388 90.3570 89.0899 88.6572 93.0319 94.8258 87.9664 + 89.9076 100.1805 109.0732 89.5374 91.8151 101.7839 92.2014 133.2247 + 121.5017 117.9501 114.2013 114.2013 + -180.0000 45.8488 55.1936 49.3961 48.2980 46.8430 59.6233 56.6787 + -87.3042 -127.4990 4.2610 66.1079 70.1396 -108.9488 103.8242 -122.5265 + -90.2854 -108.3282 180.0000 0.0000 + 151.7129 127.1641 143.0143 134.3929 146.4263 148.8593 153.0031 165.2199 + 148.2440 180.0000 180.0000 101.5151 136.8571 101.7703 180.0000 147.2157 + 120.1060 117.0114 112.2414 104.1417 + 5.9016 -85.8343 -155.3084 -86.8198 -75.9393 167.0992 -30.8059 -47.8006 + -138.2198 180.0000 180.0000 -113.6996 -51.4212 -66.4596 180.0000 -131.2784 + -125.9581 -119.8147 -114.4595 -70.2878 + Initial conformation 118 + 92.2388 92.2388 90.3570 89.0899 88.6572 93.0319 94.8258 87.9664 + 89.9076 100.1805 109.0732 89.5374 91.8151 101.7839 92.2014 133.2247 + 121.5017 117.9501 114.2013 114.2013 + -180.0000 45.8488 55.1936 49.3961 48.2980 46.8430 59.6233 56.6787 + -87.3042 -127.4990 4.2610 66.1079 70.1396 -108.9488 103.8242 -122.5265 + -90.2854 -108.3282 180.0000 0.0000 + 167.1448 150.3851 102.0198 143.1185 137.0566 135.1835 160.5266 166.8900 + 141.6546 180.0000 180.0000 105.6775 111.3101 139.3455 180.0000 117.4714 + 124.8522 127.8926 120.8089 158.0838 + -117.2818 -92.4707 -106.7679 -75.8580 -89.2689 -37.5594 -139.8678 150.5404 + -15.3084 180.0000 180.0000 -119.7634 -65.6209 -102.1987 180.0000 -143.1539 + -133.0702 -143.2705 -123.3651 -129.3104 + Initial conformation 119 + 92.2388 92.2388 90.3570 89.0899 88.6572 93.0319 94.8258 87.9664 + 89.9076 100.1805 109.0732 89.5374 91.8151 101.7839 92.2014 133.2247 + 121.5017 117.9501 114.2013 114.2013 + -180.0000 45.8488 55.1936 49.3961 48.2980 46.8430 59.6233 56.6787 + -87.3042 -127.4990 4.2610 66.1079 70.1396 -108.9488 103.8242 -122.5265 + -90.2854 -108.3282 180.0000 0.0000 + 150.8311 159.7334 144.5627 143.3150 126.3372 123.3578 152.9083 137.2476 + 129.3915 180.0000 180.0000 102.1131 151.6042 131.0427 180.0000 131.2393 + 130.6280 126.6189 120.8102 106.8054 + -161.6514 -167.8595 -13.5515 -81.3627 -111.0180 -33.3233 -104.2442 -164.2644 + -151.9000 180.0000 180.0000 -107.0557 -48.0837 -44.1401 180.0000 -26.2129 + -138.3327 -132.9603 -126.6677 -61.8796 + Initial conformation 120 + 92.2388 92.2388 90.3570 89.0899 88.6572 93.0319 94.8258 87.9664 + 89.9076 100.1805 109.0732 89.5374 91.8151 101.7839 92.2014 133.2247 + 121.5017 117.9501 114.2013 114.2013 + -180.0000 45.8488 55.1936 49.3961 48.2980 46.8430 59.6233 56.6787 + -87.3042 -127.4990 4.2610 66.1079 70.1396 -108.9488 103.8242 -122.5265 + -90.2854 -108.3282 180.0000 0.0000 + 125.6172 165.5319 127.3595 129.5679 128.1464 146.7990 161.3781 129.2852 + 159.4192 180.0000 180.0000 98.3130 97.7096 154.4229 180.0000 120.2700 + 121.5234 130.5804 117.7251 151.1151 + -80.3022 -6.4499 -177.3039 -74.2455 153.0005 -165.6289 -33.5834 -107.2639 + -116.5186 180.0000 180.0000 -127.3585 -72.8782 -83.8718 180.0000 -18.2230 + -128.2207 -137.5464 -115.1424 -115.1599 + Initial conformation 121 + 92.2388 92.2388 90.3570 89.0899 88.6572 93.0319 94.8258 87.9664 + 89.9076 100.1805 109.0732 89.5374 91.8151 101.7839 92.2014 133.2247 + 121.5017 117.9501 114.2013 114.2013 + -180.0000 45.8488 55.1936 49.3961 48.2980 46.8430 59.6233 56.6787 + -87.3042 -127.4990 4.2610 66.1079 70.1396 -108.9488 103.8242 -122.5265 + -90.2854 -108.3282 180.0000 0.0000 + 151.7686 158.3987 143.3897 151.5861 128.1304 116.3844 151.0568 170.0653 + 167.2275 180.0000 180.0000 86.2553 148.6462 99.2991 180.0000 129.8227 + 124.7990 113.4642 115.3182 87.5867 + -156.9593 -117.6639 173.2901 -63.8236 -102.8508 -55.3688 -160.9866 -146.3379 + -159.8021 180.0000 180.0000 -122.2778 -74.9438 -78.9622 180.0000 167.5781 + -131.1689 -117.3172 -125.2566 -69.0367 + Initial conformation 122 + 92.2388 92.2388 90.3570 89.0899 88.6572 93.0319 94.8258 87.9664 + 89.9076 100.1805 109.0732 89.5374 91.8151 101.7839 92.2014 133.2247 + 121.5017 117.9501 114.2013 114.2013 + -180.0000 45.8488 55.1936 49.3961 48.2980 46.8430 59.6233 56.6787 + -87.3042 -127.4990 4.2610 66.1079 70.1396 -108.9488 103.8242 -122.5265 + -90.2854 -108.3282 180.0000 0.0000 + 141.6358 148.8380 133.4397 163.2402 159.6883 147.7423 165.7668 141.5453 + 138.2010 180.0000 180.0000 92.9429 152.0553 153.7387 180.0000 121.3498 + 132.4046 115.6000 124.6681 148.8919 + -146.9229 -141.5744 -16.9430 -88.7837 -84.5753 135.4708 -112.9728 -112.9230 + -100.7284 180.0000 180.0000 -126.1544 -72.5590 -106.3533 180.0000 6.6005 + -141.6269 -126.9195 -137.5394 -40.1023 + Initial conformation 123 + 92.2388 92.2388 90.3570 89.0899 88.6572 93.0319 94.8258 87.9664 + 89.9076 100.1805 109.0732 89.5374 91.8151 101.7839 92.2014 133.2247 + 121.5017 117.9501 114.2013 114.2013 + -180.0000 45.8488 55.1936 49.3961 48.2980 46.8430 59.6233 56.6787 + -87.3042 -127.4990 4.2610 66.1079 70.1396 -108.9488 103.8242 -122.5265 + -90.2854 -108.3282 180.0000 0.0000 + 159.0618 152.8351 159.8577 141.3456 142.0582 138.9769 139.7797 153.4684 + 162.6704 180.0000 180.0000 105.3559 131.0179 138.5043 180.0000 108.5483 + 117.9856 119.5095 112.8351 134.2678 + -172.3234 -25.1292 -173.6073 -59.8012 -112.7976 -25.9809 173.5107 -135.3023 + 8.3757 180.0000 180.0000 -107.6952 -26.5604 -56.3712 180.0000 7.2265 + -121.3053 -119.9892 -110.8433 -120.4354 + Initial conformation 124 + 92.2388 92.2388 90.3570 89.0899 88.6572 93.0319 94.8258 87.9664 + 89.9076 100.1805 109.0732 89.5374 91.8151 101.7839 92.2014 133.2247 + 121.5017 117.9501 114.2013 114.2013 + -180.0000 45.8488 55.1936 49.3961 48.2980 46.8430 59.6233 56.6787 + -87.3042 -127.4990 4.2610 66.1079 70.1396 -108.9488 103.8242 -122.5265 + -90.2854 -108.3282 180.0000 0.0000 + 160.9874 133.4911 149.6822 152.6557 146.2785 158.8740 165.1405 167.8801 + 147.0352 180.0000 180.0000 108.3714 112.4805 155.7104 180.0000 109.9232 + 126.3616 121.5193 121.1025 141.9143 + -126.7597 -107.8429 175.1561 -73.1856 -94.2517 4.8232 -8.2821 145.6760 + -143.3995 180.0000 180.0000 -125.1286 -71.4221 -79.9603 180.0000 -10.7726 + -133.3549 -126.1622 -123.6082 -83.0626 + Initial conformation 125 + 92.2388 92.2388 90.3570 89.0899 88.6572 93.0319 94.8258 87.9664 + 89.9076 100.1805 109.0732 89.5374 91.8151 101.7839 92.2014 133.2247 + 121.5017 117.9501 114.2013 114.2013 + -180.0000 45.8488 55.1936 49.3961 48.2980 46.8430 59.6233 56.6787 + -87.3042 -127.4990 4.2610 66.1079 70.1396 -108.9488 103.8242 -122.5265 + -90.2854 -108.3282 180.0000 0.0000 + 154.3588 152.1257 146.1526 136.6559 155.7028 137.2507 157.2205 144.9655 + 145.7149 180.0000 180.0000 95.0755 88.6730 138.9832 180.0000 168.1558 + 118.8012 116.5006 122.6282 105.7841 + -166.1523 -124.7978 -16.7683 -61.9085 -138.9340 -6.1470 -100.7780 -143.9835 + -95.4748 180.0000 180.0000 -86.9803 -71.9295 -37.5538 180.0000 -109.8890 + -123.4162 -117.4665 -130.5841 -71.7228 + Initial conformation 126 + 92.2388 92.2388 90.3570 89.0899 88.6572 93.0319 94.8258 87.9664 + 89.9076 100.1805 109.0732 89.5374 91.8151 101.7839 92.2014 133.2247 + 121.5017 117.9501 114.2013 114.2013 + -180.0000 45.8488 55.1936 49.3961 48.2980 46.8430 59.6233 56.6787 + -87.3042 -127.4990 4.2610 66.1079 70.1396 -108.9488 103.8242 -122.5265 + -90.2854 -108.3282 180.0000 0.0000 + 159.7992 153.1620 148.3921 160.6112 124.7954 160.6309 153.2480 148.7304 + 140.1560 180.0000 180.0000 109.9479 155.6426 100.4572 180.0000 141.0893 + 125.2516 122.1107 125.5477 146.7434 + -111.9201 -111.3174 15.6701 -39.3733 -169.0027 176.9128 -26.6414 156.0702 + -17.6692 180.0000 180.0000 -116.9375 -7.9816 -78.3328 180.0000 -71.0023 + -140.9358 -123.4248 -121.3005 -28.3560 + Initial conformation 127 + 92.2388 92.2388 90.3570 89.0899 88.6572 93.0319 94.8258 87.9664 + 89.9076 100.1805 109.0732 89.5374 91.8151 101.7839 92.2014 133.2247 + 121.5017 117.9501 114.2013 114.2013 + -180.0000 45.8488 55.1936 49.3961 48.2980 46.8430 59.6233 56.6787 + -87.3042 -127.4990 4.2610 66.1079 70.1396 -108.9488 103.8242 -122.5265 + -90.2854 -108.3282 180.0000 0.0000 + 158.7919 155.3084 142.4860 141.3814 122.2691 142.8556 168.0857 159.6296 + 119.0322 180.0000 180.0000 99.1778 145.1610 149.7133 180.0000 119.6725 + 117.2460 127.6067 119.5548 96.2791 + -3.4482 -147.3839 -18.2225 -83.9816 -87.2946 119.9956 -153.0278 174.9413 + -89.4412 180.0000 180.0000 -108.9071 -85.4065 -37.5602 180.0000 -32.3887 + -123.7174 -142.8530 -113.7896 -66.6355 + Initial conformation 128 + 92.2388 92.2388 90.3570 89.0899 88.6572 93.0319 94.8258 87.9664 + 89.9076 100.1805 109.0732 89.5374 91.8151 101.7839 92.2014 133.2247 + 121.5017 117.9501 114.2013 114.2013 + -180.0000 45.8488 55.1936 49.3961 48.2980 46.8430 59.6233 56.6787 + -87.3042 -127.4990 4.2610 66.1079 70.1396 -108.9488 103.8242 -122.5265 + -90.2854 -108.3282 180.0000 0.0000 + 144.1455 148.1937 126.9029 149.8050 149.2999 155.2740 165.6652 172.8788 + 145.2118 180.0000 180.0000 94.0200 162.2354 94.6849 180.0000 142.0100 + 127.8259 121.0870 118.3211 137.4653 + -113.5521 -24.2333 -28.2692 -69.6441 174.4414 -176.1721 -154.9666 -150.3606 + -150.9519 180.0000 180.0000 -108.3830 -115.2069 -61.4278 180.0000 -28.2756 + -138.4045 -125.5565 -120.8883 -23.5865 + Initial conformation 129 + 92.2388 92.2388 90.3570 89.0899 88.6572 93.0319 94.8258 87.9664 + 89.9076 100.1805 109.0732 89.5374 91.8151 101.7839 92.2014 133.2247 + 121.5017 117.9501 114.2013 114.2013 + -180.0000 45.8488 55.1936 49.3961 48.2980 46.8430 59.6233 56.6787 + -87.3042 -127.4990 4.2610 66.1079 70.1396 -108.9488 103.8242 -122.5265 + -90.2854 -108.3282 180.0000 0.0000 + 145.0324 156.9977 143.4096 147.5421 173.9169 153.3868 162.5953 176.1123 + 145.6947 180.0000 180.0000 105.7291 106.1540 155.0084 180.0000 129.8403 + 125.7940 127.4172 112.9795 134.5951 + -56.8518 -117.2103 -9.5460 -80.5461 -136.5892 8.6422 -17.0608 134.6238 + -42.4413 180.0000 180.0000 -114.5970 -77.2947 -123.3160 180.0000 74.0643 + -133.6192 -134.2790 -117.6248 -28.5983 + Initial conformation 130 + 92.2388 92.2388 90.3570 89.0899 88.6572 93.0319 94.8258 87.9664 + 89.9076 100.1805 109.0732 89.5374 91.8151 101.7839 92.2014 133.2247 + 121.5017 117.9501 114.2013 114.2013 + -180.0000 45.8488 55.1936 49.3961 48.2980 46.8430 59.6233 56.6787 + -87.3042 -127.4990 4.2610 66.1079 70.1396 -108.9488 103.8242 -122.5265 + -90.2854 -108.3282 180.0000 0.0000 + 135.9759 148.8750 137.9725 142.9751 146.6459 161.9715 148.8710 141.3514 + 122.0888 180.0000 180.0000 114.6114 106.8577 143.4266 180.0000 143.1118 + 121.3108 134.1476 112.4301 139.9609 + -146.2101 -85.1417 -33.9624 -87.1600 -107.4182 -142.8425 -77.4637 -90.4313 + -102.8289 180.0000 180.0000 -104.0817 -71.0036 -126.3897 180.0000 134.6713 + -125.1521 -135.0921 -110.1062 -84.4086 + Initial conformation 131 + 92.2388 92.2388 90.3570 89.0899 88.6572 93.0319 94.8258 87.9664 + 89.9076 100.1805 109.0732 89.5374 91.8151 101.7839 92.2014 133.2247 + 121.5017 117.9501 114.2013 114.2013 + -180.0000 45.8488 55.1936 49.3961 48.2980 46.8430 59.6233 56.6787 + -87.3042 -127.4990 4.2610 66.1079 70.1396 -108.9488 103.8242 -122.5265 + -90.2854 -108.3282 180.0000 0.0000 + 139.9478 158.1689 113.2314 141.7265 154.8325 171.7993 149.4852 136.6231 + 146.5778 180.0000 180.0000 95.5334 162.1616 103.2310 180.0000 133.2267 + 125.9577 121.8825 117.3700 129.1086 + -40.9829 -170.1886 -87.0439 -86.0192 -154.1090 119.4024 -107.6096 -145.6411 + -125.7209 180.0000 180.0000 -109.4679 -41.7403 -60.0016 180.0000 18.8025 + -137.5821 -121.2690 -116.9893 -55.7463 + Initial conformation 132 + 92.2388 92.2388 90.3570 89.0899 88.6572 93.0319 94.8258 87.9664 + 89.9076 100.1805 109.0732 89.5374 91.8151 101.7839 92.2014 133.2247 + 121.5017 117.9501 114.2013 114.2013 + -180.0000 45.8488 55.1936 49.3961 48.2980 46.8430 59.6233 56.6787 + -87.3042 -127.4990 4.2610 66.1079 70.1396 -108.9488 103.8242 -122.5265 + -90.2854 -108.3282 180.0000 0.0000 + 137.2089 156.5351 132.6903 134.9166 131.1731 150.4557 150.7226 138.8587 + 139.9353 180.0000 180.0000 102.4642 95.1882 142.6978 180.0000 103.8047 + 126.1409 119.2211 118.2526 145.5191 + -101.3602 -166.5139 179.2010 -85.7545 -170.9863 108.8075 -17.8569 -167.3504 + -123.8644 180.0000 180.0000 -100.2346 -68.3590 -83.1061 180.0000 15.6486 + -135.1390 -121.6575 -118.2104 -13.5560 + Initial conformation 133 + 92.2388 92.2388 90.3570 89.0899 88.6572 93.0319 94.8258 87.9664 + 89.9076 100.1805 109.0732 89.5374 91.8151 101.7839 92.2014 133.2247 + 121.5017 117.9501 114.2013 114.2013 + -180.0000 45.8488 55.1936 49.3961 48.2980 46.8430 59.6233 56.6787 + -87.3042 -127.4990 4.2610 66.1079 70.1396 -108.9488 103.8242 -122.5265 + -90.2854 -108.3282 180.0000 0.0000 + 149.8801 179.9523 174.2144 156.4290 149.6372 166.9196 164.4466 124.4411 + 126.6873 180.0000 180.0000 96.8605 153.7632 102.8652 180.0000 160.1364 + 127.8278 128.3000 113.6317 85.5630 + -127.6318 -171.4903 167.6247 -84.7140 -136.3886 -147.7473 12.3149 -80.4326 + -55.9913 180.0000 180.0000 -102.8495 -114.8622 -71.9612 180.0000 -55.9738 + -137.4663 -140.9320 -112.7237 -64.4854 + Initial conformation 134 + 92.2388 92.2388 90.3570 89.0899 88.6572 93.0319 94.8258 87.9664 + 89.9076 100.1805 109.0732 89.5374 91.8151 101.7839 92.2014 133.2247 + 121.5017 117.9501 114.2013 114.2013 + -180.0000 45.8488 55.1936 49.3961 48.2980 46.8430 59.6233 56.6787 + -87.3042 -127.4990 4.2610 66.1079 70.1396 -108.9488 103.8242 -122.5265 + -90.2854 -108.3282 180.0000 0.0000 + 161.8584 149.7666 122.2603 136.9934 146.9682 114.0355 152.3820 158.1447 + 144.2273 180.0000 180.0000 108.1106 106.9260 140.7298 180.0000 139.2402 + 124.9894 121.2748 126.4415 99.4374 + -118.7989 -154.8539 -22.5196 -90.1876 -78.7611 -92.6375 -32.0379 -106.3043 + -149.1837 180.0000 180.0000 -118.2313 -80.6442 -29.6243 180.0000 -87.0390 + -134.2911 -119.7025 -133.5440 -73.4304 + Initial conformation 135 + 92.2388 92.2388 90.3570 89.0899 88.6572 93.0319 94.8258 87.9664 + 89.9076 100.1805 109.0732 89.5374 91.8151 101.7839 92.2014 133.2247 + 121.5017 117.9501 114.2013 114.2013 + -180.0000 45.8488 55.1936 49.3961 48.2980 46.8430 59.6233 56.6787 + -87.3042 -127.4990 4.2610 66.1079 70.1396 -108.9488 103.8242 -122.5265 + -90.2854 -108.3282 180.0000 0.0000 + 100.8661 160.6606 144.7292 133.5418 123.5727 126.4810 162.1790 144.6321 + 146.0150 180.0000 180.0000 106.2407 145.2883 146.8969 180.0000 172.3078 + 115.1767 115.2549 124.2442 154.9357 + -85.8956 -4.4687 -171.9845 -81.2311 -124.6714 -37.2210 -134.8969 -118.1848 + -110.5208 180.0000 180.0000 -108.7866 -45.6680 -54.9846 180.0000 -162.4030 + -125.4511 -112.7814 -129.6243 -43.0749 + Initial conformation 136 + 92.2388 92.2388 90.3570 89.0899 88.6572 93.0319 94.8258 87.9664 + 89.9076 100.1805 109.0732 89.5374 91.8151 101.7839 92.2014 133.2247 + 121.5017 117.9501 114.2013 114.2013 + -180.0000 45.8488 55.1936 49.3961 48.2980 46.8430 59.6233 56.6787 + -87.3042 -127.4990 4.2610 66.1079 70.1396 -108.9488 103.8242 -122.5265 + -90.2854 -108.3282 180.0000 0.0000 + 157.7853 144.1992 145.5396 138.1653 146.9693 134.0094 156.0428 163.6742 + 149.9742 180.0000 180.0000 100.6033 100.8047 169.1850 180.0000 147.0816 + 131.8784 110.6899 123.3385 150.4907 + -132.0942 172.2574 132.3240 -93.0559 -175.4740 -3.8419 -101.0991 -91.5253 + -121.4882 180.0000 180.0000 -118.9396 -77.5857 -127.7394 180.0000 -66.5468 + -137.4955 -116.2815 -129.1556 -123.9160 + Initial conformation 137 + 92.2388 92.2388 90.3570 89.0899 88.6572 93.0319 94.8258 87.9664 + 89.9076 100.1805 109.0732 89.5374 91.8151 101.7839 92.2014 133.2247 + 121.5017 117.9501 114.2013 114.2013 + -180.0000 45.8488 55.1936 49.3961 48.2980 46.8430 59.6233 56.6787 + -87.3042 -127.4990 4.2610 66.1079 70.1396 -108.9488 103.8242 -122.5265 + -90.2854 -108.3282 180.0000 0.0000 + 148.0300 158.7926 126.3766 141.4439 143.6241 128.0215 161.9621 172.5284 + 112.3994 180.0000 180.0000 100.5727 153.0429 150.6475 180.0000 130.2776 + 120.3979 114.6838 121.6017 152.4389 + -131.8320 -8.8857 -22.2592 -78.6729 -113.3512 146.6351 -149.2986 -107.1705 + -92.5688 180.0000 180.0000 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133.2247 + 121.5017 117.9501 114.2013 114.2013 + -180.0000 45.8488 55.1936 49.3961 48.2980 46.8430 59.6233 56.6787 + -87.3042 -127.4990 4.2610 66.1079 70.1396 -108.9488 103.8242 -122.5265 + -90.2854 -108.3282 180.0000 0.0000 + 142.9845 156.6513 147.7255 166.6184 138.0711 139.2088 144.1537 147.9076 + 140.6437 180.0000 180.0000 111.2464 132.8490 142.0690 180.0000 113.2903 + 121.9305 123.7388 129.1362 133.9807 + -163.8867 -130.1306 0.6077 -92.3298 -15.8119 122.6752 -110.0282 -149.2248 + -106.2005 180.0000 180.0000 -134.0414 -42.0153 -68.4916 180.0000 -29.7733 + -133.7508 -127.0365 -138.9839 -87.9866 + Initial conformation 140 + 92.2388 92.2388 90.3570 89.0899 88.6572 93.0319 94.8258 87.9664 + 89.9076 100.1805 109.0732 89.5374 91.8151 101.7839 92.2014 133.2247 + 121.5017 117.9501 114.2013 114.2013 + -180.0000 45.8488 55.1936 49.3961 48.2980 46.8430 59.6233 56.6787 + -87.3042 -127.4990 4.2610 66.1079 70.1396 -108.9488 103.8242 -122.5265 + -90.2854 -108.3282 180.0000 0.0000 + 165.4112 169.9701 151.6343 132.6411 134.0332 126.4468 143.7042 141.4254 + 147.0398 180.0000 180.0000 97.4946 148.2986 155.3540 180.0000 140.8602 + 121.7695 112.7253 126.9263 153.2137 + -145.0807 -153.2566 -11.4018 -74.2487 -37.2441 -5.0788 -128.3984 -53.3171 + -139.2211 180.0000 180.0000 -94.2231 -114.5866 -113.3497 180.0000 104.9777 + -127.2811 -118.2993 -137.4488 -43.4518 + Initial conformation 141 + 92.2388 92.2388 90.3570 89.0899 88.6572 93.0319 94.8258 87.9664 + 89.9076 100.1805 109.0732 89.5374 91.8151 101.7839 92.2014 133.2247 + 121.5017 117.9501 114.2013 114.2013 + -180.0000 45.8488 55.1936 49.3961 48.2980 46.8430 59.6233 56.6787 + -87.3042 -127.4990 4.2610 66.1079 70.1396 -108.9488 103.8242 -122.5265 + -90.2854 -108.3282 180.0000 0.0000 + 130.4192 155.9450 141.0986 142.3329 132.2617 154.3839 149.5641 161.9407 + 142.4528 180.0000 180.0000 95.8984 154.7117 165.6392 180.0000 134.6497 + 110.4030 119.3770 121.6916 144.6928 + -168.2082 -161.2747 0.3387 -64.1673 -87.9204 149.4037 -141.9675 -67.5307 + -104.6643 180.0000 180.0000 -82.0391 -145.8706 -94.3434 180.0000 101.3709 + -117.1764 -130.2650 -128.6492 -32.0120 + Initial conformation 142 + 92.2388 92.2388 90.3570 89.0899 88.6572 93.0319 94.8258 87.9664 + 89.9076 100.1805 109.0732 89.5374 91.8151 101.7839 92.2014 133.2247 + 121.5017 117.9501 114.2013 114.2013 + -180.0000 45.8488 55.1936 49.3961 48.2980 46.8430 59.6233 56.6787 + -87.3042 -127.4990 4.2610 66.1079 70.1396 -108.9488 103.8242 -122.5265 + -90.2854 -108.3282 180.0000 0.0000 + 153.9763 153.8192 134.3388 136.5305 153.1571 164.4845 158.8943 133.4485 + 145.6529 180.0000 180.0000 106.4086 95.6763 140.7549 180.0000 148.6715 + 115.5678 121.2842 117.2388 107.5487 + -146.1287 -148.7930 -24.5416 -90.8746 -136.5305 163.2897 -34.5884 -159.4247 + -138.3041 180.0000 180.0000 -103.3926 -63.3976 -36.5665 180.0000 -55.7295 + -120.0931 -130.2211 -114.1064 -63.2662 + Initial conformation 143 + 92.2388 92.2388 90.3570 89.0899 88.6572 93.0319 94.8258 87.9664 + 89.9076 100.1805 109.0732 89.5374 91.8151 101.7839 92.2014 133.2247 + 121.5017 117.9501 114.2013 114.2013 + -180.0000 45.8488 55.1936 49.3961 48.2980 46.8430 59.6233 56.6787 + -87.3042 -127.4990 4.2610 66.1079 70.1396 -108.9488 103.8242 -122.5265 + -90.2854 -108.3282 180.0000 0.0000 + 146.4944 150.0779 151.7168 128.7020 146.4353 154.5949 167.7996 156.2161 + 139.6821 180.0000 180.0000 92.4450 166.8955 128.3134 180.0000 139.0849 + 118.8325 118.0054 125.1429 143.2382 + -166.0607 -86.5400 -3.7669 -71.3672 -97.1533 5.9433 -166.9717 -122.6805 + -104.7580 180.0000 180.0000 -120.0744 -113.0435 -64.4170 180.0000 -75.2837 + -125.2415 -119.1992 -126.7149 -91.4576 + Initial conformation 144 + 92.2388 92.2388 90.3570 89.0899 88.6572 93.0319 94.8258 87.9664 + 89.9076 100.1805 109.0732 89.5374 91.8151 101.7839 92.2014 133.2247 + 121.5017 117.9501 114.2013 114.2013 + -180.0000 45.8488 55.1936 49.3961 48.2980 46.8430 59.6233 56.6787 + -87.3042 -127.4990 4.2610 66.1079 70.1396 -108.9488 103.8242 -122.5265 + -90.2854 -108.3282 180.0000 0.0000 + 167.5612 146.3933 130.4482 138.6588 147.4452 151.2544 148.2964 167.2067 + 157.9176 180.0000 180.0000 93.1631 147.8141 118.7470 180.0000 142.0565 + 127.4750 123.5151 119.4700 150.2235 + -63.3417 -39.2119 -29.5056 -88.9420 -136.2159 159.8414 -117.8808 -151.9352 + 9.6914 180.0000 180.0000 -94.0739 -102.7578 -69.8067 180.0000 -135.1964 + -135.6145 -121.8330 -122.0094 -69.1015 + Initial conformation 145 + 92.2388 92.2388 90.3570 89.0899 88.6572 93.0319 94.8258 87.9664 + 89.9076 100.1805 109.0732 89.5374 91.8151 101.7839 92.2014 133.2247 + 121.5017 117.9501 114.2013 114.2013 + -180.0000 45.8488 55.1936 49.3961 48.2980 46.8430 59.6233 56.6787 + -87.3042 -127.4990 4.2610 66.1079 70.1396 -108.9488 103.8242 -122.5265 + -90.2854 -108.3282 180.0000 0.0000 + 171.9097 167.6104 125.1369 141.3383 148.5350 169.0206 162.7071 144.4518 + 127.3280 180.0000 180.0000 98.2200 169.0289 110.1808 180.0000 100.1630 + 112.5948 112.7553 113.4255 147.3330 + -165.6658 -128.3878 -18.0966 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87.9664 + 89.9076 100.1805 109.0732 89.5374 91.8151 101.7839 92.2014 133.2247 + 121.5017 117.9501 114.2013 114.2013 + -180.0000 45.8488 55.1936 49.3961 48.2980 46.8430 59.6233 56.6787 + -87.3042 -127.4990 4.2610 66.1079 70.1396 -108.9488 103.8242 -122.5265 + -90.2854 -108.3282 180.0000 0.0000 + 114.8544 174.3747 136.1200 145.0054 118.5618 120.2975 141.9668 168.9702 + 134.9593 180.0000 180.0000 95.8960 163.0898 166.9162 180.0000 137.4130 + 116.5178 120.1795 126.7594 127.0472 + -90.2079 -157.3979 177.4211 -82.4475 -142.0140 -15.8451 -123.8852 -132.4633 + -150.2208 180.0000 180.0000 -93.2499 -46.4087 -106.3144 180.0000 -16.3361 + -116.9178 -127.9243 -133.6754 -56.2556 + Initial conformation 148 + 92.2388 92.2388 90.3570 89.0899 88.6572 93.0319 94.8258 87.9664 + 89.9076 100.1805 109.0732 89.5374 91.8151 101.7839 92.2014 133.2247 + 121.5017 117.9501 114.2013 114.2013 + -180.0000 45.8488 55.1936 49.3961 48.2980 46.8430 59.6233 56.6787 + -87.3042 -127.4990 4.2610 66.1079 70.1396 -108.9488 103.8242 -122.5265 + -90.2854 -108.3282 180.0000 0.0000 + 129.8706 162.5432 157.2986 130.9160 136.0572 147.5055 161.4827 168.9717 + 141.3145 180.0000 180.0000 107.9381 158.3084 93.0055 180.0000 131.5735 + 121.4382 117.4130 120.2738 102.3517 + -95.4989 -24.5045 158.7270 -72.3162 -130.0425 -133.5807 -142.0779 18.2905 + -9.8334 180.0000 180.0000 -106.5684 -50.9486 -69.6254 180.0000 -79.3377 + -130.9426 -122.8881 -118.6963 -68.5093 + Initial conformation 149 + 92.2388 92.2388 90.3570 89.0899 88.6572 93.0319 94.8258 87.9664 + 89.9076 100.1805 109.0732 89.5374 91.8151 101.7839 92.2014 133.2247 + 121.5017 117.9501 114.2013 114.2013 + -180.0000 45.8488 55.1936 49.3961 48.2980 46.8430 59.6233 56.6787 + -87.3042 -127.4990 4.2610 66.1079 70.1396 -108.9488 103.8242 -122.5265 + -90.2854 -108.3282 180.0000 0.0000 + 167.0464 149.8911 137.8200 138.5261 154.1487 177.6159 166.0984 128.2795 + 142.5257 180.0000 180.0000 97.6753 98.4572 160.8500 180.0000 114.9755 + 117.3207 121.1803 127.4559 111.2723 + -150.5767 -136.8568 -2.7763 -94.3598 -136.3772 -167.8563 -6.2906 15.2029 + -160.1127 180.0000 180.0000 -89.0344 -62.8630 -85.3209 180.0000 50.2996 + -117.9633 -124.5653 -130.1780 -61.7520 + Initial conformation 150 + 92.2388 92.2388 90.3570 89.0899 88.6572 93.0319 94.8258 87.9664 + 89.9076 100.1805 109.0732 89.5374 91.8151 101.7839 92.2014 133.2247 + 121.5017 117.9501 114.2013 114.2013 + -180.0000 45.8488 55.1936 49.3961 48.2980 46.8430 59.6233 56.6787 + -87.3042 -127.4990 4.2610 66.1079 70.1396 -108.9488 103.8242 -122.5265 + -90.2854 -108.3282 180.0000 0.0000 + 146.9696 145.4376 160.0295 131.5823 163.8892 159.2555 157.8477 137.1348 + 102.1672 180.0000 180.0000 87.6784 148.5707 157.5064 180.0000 123.7308 + 122.9001 133.0162 124.3727 151.8919 + -115.5217 -130.5130 171.2680 -76.3774 176.7287 126.1779 -89.5203 -76.4828 + -68.5519 180.0000 180.0000 -113.9593 -20.9914 -13.9023 180.0000 -26.9300 + -129.3070 -137.7702 -120.0925 -49.4915 + Initial conformation 151 + 92.2388 92.2388 90.3570 89.0899 88.6572 93.0319 94.8258 87.9664 + 89.9076 100.1805 109.0732 89.5374 91.8151 101.7839 92.2014 133.2247 + 121.5017 117.9501 114.2013 114.2013 + -180.0000 45.8488 55.1936 49.3961 48.2980 46.8430 59.6233 56.6787 + -87.3042 -127.4990 4.2610 66.1079 70.1396 -108.9488 103.8242 -122.5265 + -90.2854 -108.3282 180.0000 0.0000 + 143.6630 148.4415 153.4062 146.4168 130.4444 149.5029 157.2230 173.9489 + 151.4255 180.0000 180.0000 97.4729 114.8044 152.2263 180.0000 133.3635 + 118.9358 126.3410 121.8511 162.2413 + -136.5244 -112.2657 -171.8720 -75.7862 -142.9394 -7.1004 -131.9780 -30.9921 + -88.0291 180.0000 180.0000 -115.8769 -59.8984 -91.9589 180.0000 -17.3895 + -130.6503 -136.3128 -128.9929 -50.1192 + Initial conformation 152 + 92.2388 92.2388 90.3570 89.0899 88.6572 93.0319 94.8258 87.9664 + 89.9076 100.1805 109.0732 89.5374 91.8151 101.7839 92.2014 133.2247 + 121.5017 117.9501 114.2013 114.2013 + -180.0000 45.8488 55.1936 49.3961 48.2980 46.8430 59.6233 56.6787 + -87.3042 -127.4990 4.2610 66.1079 70.1396 -108.9488 103.8242 -122.5265 + -90.2854 -108.3282 180.0000 0.0000 + 162.5406 167.8786 149.3868 146.1900 143.6072 138.1604 143.0497 126.4790 + 139.0227 180.0000 180.0000 92.7853 142.8541 97.3555 180.0000 130.0254 + 116.4864 121.4739 107.9438 156.5338 + 0.5646 -132.8044 -10.7813 -62.8211 -112.7661 156.1166 -128.4384 -84.6123 + -146.4599 180.0000 180.0000 -102.2812 -64.1307 -46.7847 180.0000 -139.1569 + -128.1316 -133.0799 -102.9418 -95.2586 + Initial conformation 153 + 92.2388 92.2388 90.3570 89.0899 88.6572 93.0319 94.8258 87.9664 + 89.9076 100.1805 109.0732 89.5374 91.8151 101.7839 92.2014 133.2247 + 121.5017 117.9501 114.2013 114.2013 + -180.0000 45.8488 55.1936 49.3961 48.2980 46.8430 59.6233 56.6787 + -87.3042 -127.4990 4.2610 66.1079 70.1396 -108.9488 103.8242 -122.5265 + -90.2854 -108.3282 180.0000 0.0000 + 116.3975 146.8669 135.9964 150.2758 131.0373 155.1800 161.9521 144.6383 + 140.4353 180.0000 180.0000 110.8804 144.0767 131.6057 180.0000 112.4390 + 142.5241 114.6302 126.3473 100.1329 + -79.3332 -141.8141 -172.1498 -90.9892 -106.4050 -173.8792 -167.7479 -134.8787 + -99.5361 180.0000 180.0000 -128.5846 -37.8807 -147.6006 180.0000 -79.7701 + -154.8492 -118.8372 -136.0839 -60.7906 + Initial conformation 154 + 92.2388 92.2388 90.3570 89.0899 88.6572 93.0319 94.8258 87.9664 + 89.9076 100.1805 109.0732 89.5374 91.8151 101.7839 92.2014 133.2247 + 121.5017 117.9501 114.2013 114.2013 + -180.0000 45.8488 55.1936 49.3961 48.2980 46.8430 59.6233 56.6787 + -87.3042 -127.4990 4.2610 66.1079 70.1396 -108.9488 103.8242 -122.5265 + -90.2854 -108.3282 180.0000 0.0000 + 150.2286 161.1270 154.6210 152.7746 160.8694 142.7155 136.3737 148.9320 + 118.7625 180.0000 180.0000 111.3444 148.8091 103.3597 180.0000 139.2121 + 132.5116 122.2453 130.6471 93.3052 + 11.9996 -15.2349 -164.9968 -86.8234 -95.0759 108.7899 -144.6920 152.6938 + -89.6633 180.0000 180.0000 -113.1825 -153.9038 -70.7818 180.0000 -144.5755 + -138.1010 -123.7939 -132.8260 -72.4483 + Initial conformation 155 + 92.2388 92.2388 90.3570 89.0899 88.6572 93.0319 94.8258 87.9664 + 89.9076 100.1805 109.0732 89.5374 91.8151 101.7839 92.2014 133.2247 + 121.5017 117.9501 114.2013 114.2013 + -180.0000 45.8488 55.1936 49.3961 48.2980 46.8430 59.6233 56.6787 + -87.3042 -127.4990 4.2610 66.1079 70.1396 -108.9488 103.8242 -122.5265 + -90.2854 -108.3282 180.0000 0.0000 + 113.3876 154.2157 146.1798 141.2153 165.4497 112.1986 161.3639 153.3750 + 129.0543 180.0000 180.0000 97.5015 105.9922 165.5814 180.0000 107.2867 + 123.7047 118.3195 123.4713 146.2467 + -78.4531 -15.8673 -139.5981 -88.2556 77.2082 -110.8541 -162.3596 -144.5282 + -138.1110 180.0000 180.0000 -115.6196 -71.4537 -146.6940 180.0000 50.9429 + -131.3266 -126.6922 -126.6399 -110.0944 + Initial conformation 156 + 92.2388 92.2388 90.3570 89.0899 88.6572 93.0319 94.8258 87.9664 + 89.9076 100.1805 109.0732 89.5374 91.8151 101.7839 92.2014 133.2247 + 121.5017 117.9501 114.2013 114.2013 + -180.0000 45.8488 55.1936 49.3961 48.2980 46.8430 59.6233 56.6787 + -87.3042 -127.4990 4.2610 66.1079 70.1396 -108.9488 103.8242 -122.5265 + -90.2854 -108.3282 180.0000 0.0000 + 173.8975 158.0508 126.9693 143.8740 136.7928 103.1529 157.2128 168.5573 + 143.2259 180.0000 180.0000 98.6125 100.5594 110.9416 180.0000 162.8155 + 132.6553 122.4000 116.3740 130.7724 + 5.3288 -157.4195 -4.7637 -87.1680 -82.4488 -62.0494 -131.5544 179.7591 + -96.9016 180.0000 180.0000 -110.4305 -61.2943 -68.3255 180.0000 -88.5560 + -139.9510 -132.0914 -121.6562 -97.8339 + Initial conformation 157 + 92.2388 92.2388 90.3570 89.0899 88.6572 93.0319 94.8258 87.9664 + 89.9076 100.1805 109.0732 89.5374 91.8151 101.7839 92.2014 133.2247 + 121.5017 117.9501 114.2013 114.2013 + -180.0000 45.8488 55.1936 49.3961 48.2980 46.8430 59.6233 56.6787 + -87.3042 -127.4990 4.2610 66.1079 70.1396 -108.9488 103.8242 -122.5265 + -90.2854 -108.3282 180.0000 0.0000 + 132.3678 143.5441 159.8628 127.6071 151.6196 119.0473 152.8557 159.0090 + 140.0293 180.0000 180.0000 91.8040 98.9012 151.5763 180.0000 143.9759 + 104.5202 115.1906 116.1497 147.6110 + -84.7175 -92.3508 131.1662 -102.1092 115.2534 2.4315 -136.4252 -156.3022 + -79.2549 180.0000 180.0000 -109.1643 -50.3654 -87.5427 180.0000 159.6982 + -114.5775 -115.5715 -117.9459 -144.7477 + Initial conformation 158 + 92.2388 92.2388 90.3570 89.0899 88.6572 93.0319 94.8258 87.9664 + 89.9076 100.1805 109.0732 89.5374 91.8151 101.7839 92.2014 133.2247 + 121.5017 117.9501 114.2013 114.2013 + -180.0000 45.8488 55.1936 49.3961 48.2980 46.8430 59.6233 56.6787 + -87.3042 -127.4990 4.2610 66.1079 70.1396 -108.9488 103.8242 -122.5265 + -90.2854 -108.3282 180.0000 0.0000 + 170.7088 150.2753 146.2473 143.2624 151.0182 154.8030 149.0539 137.9098 + 109.6491 180.0000 180.0000 94.3058 89.9606 117.2812 180.0000 109.2649 + 117.8356 130.5555 125.2071 94.4050 + 4.8387 -103.9403 8.1888 -80.4452 -148.3447 125.4983 -73.2300 -18.7687 + -74.5621 180.0000 180.0000 -92.4912 -72.6440 -55.7428 180.0000 -34.1016 + -124.9970 -129.5240 -128.8378 -74.7969 + Initial conformation 159 + 92.2388 92.2388 90.3570 89.0899 88.6572 93.0319 94.8258 87.9664 + 89.9076 100.1805 109.0732 89.5374 91.8151 101.7839 92.2014 133.2247 + 121.5017 117.9501 114.2013 114.2013 + -180.0000 45.8488 55.1936 49.3961 48.2980 46.8430 59.6233 56.6787 + -87.3042 -127.4990 4.2610 66.1079 70.1396 -108.9488 103.8242 -122.5265 + -90.2854 -108.3282 180.0000 0.0000 + 143.7091 155.4677 115.0242 145.5948 98.4216 118.0805 164.1147 159.6298 + 140.9329 180.0000 180.0000 93.1235 142.5143 109.5394 180.0000 143.9231 + 127.7072 121.0722 125.2687 157.8592 + -146.5833 -104.5484 -18.4711 -70.4534 -90.8515 -114.3999 1.4834 -68.2455 + -128.7985 180.0000 180.0000 -116.7114 -124.9324 -71.0072 180.0000 -103.6605 + -136.6133 -127.3733 -132.3500 -113.4338 + Initial conformation 160 + 92.2388 92.2388 90.3570 89.0899 88.6572 93.0319 94.8258 87.9664 + 89.9076 100.1805 109.0732 89.5374 91.8151 101.7839 92.2014 133.2247 + 121.5017 117.9501 114.2013 114.2013 + -180.0000 45.8488 55.1936 49.3961 48.2980 46.8430 59.6233 56.6787 + -87.3042 -127.4990 4.2610 66.1079 70.1396 -108.9488 103.8242 -122.5265 + -90.2854 -108.3282 180.0000 0.0000 + 150.4470 157.0339 134.8864 149.8464 163.5028 132.0864 157.1452 149.7658 + 127.9209 180.0000 180.0000 110.9702 97.6895 106.4070 180.0000 119.1219 + 125.3455 124.1479 124.7290 97.0209 + -169.1529 -130.6885 126.9283 -91.2961 -100.8427 -71.5436 -91.5825 -139.1663 + -117.9539 180.0000 180.0000 -143.7236 -64.2459 -74.5499 180.0000 -52.4754 + -131.1899 -122.9709 -130.1553 -65.7408 + Initial conformation 161 + 92.2388 92.2388 90.3570 89.0899 88.6572 93.0319 94.8258 87.9664 + 89.9076 100.1805 109.0732 89.5374 91.8151 101.7839 92.2014 133.2247 + 121.5017 117.9501 114.2013 114.2013 + -180.0000 45.8488 55.1936 49.3961 48.2980 46.8430 59.6233 56.6787 + -87.3042 -127.4990 4.2610 66.1079 70.1396 -108.9488 103.8242 -122.5265 + -90.2854 -108.3282 180.0000 0.0000 + 144.2686 164.5755 146.1492 142.5967 126.2132 129.0623 159.9632 173.2837 + 140.2772 180.0000 180.0000 98.0931 161.5841 148.0000 180.0000 161.2088 + 128.2728 120.2874 114.9174 166.3280 + -128.7459 -179.5391 175.3641 -84.1310 -45.3850 -20.2865 -137.4841 -21.0036 + -95.2120 180.0000 180.0000 -99.6288 -107.8249 -18.8269 180.0000 -45.2195 + -140.5702 -125.0439 -117.5466 -93.1084 + Initial conformation 162 + 92.2388 92.2388 90.3570 89.0899 88.6572 93.0319 94.8258 87.9664 + 89.9076 100.1805 109.0732 89.5374 91.8151 101.7839 92.2014 133.2247 + 121.5017 117.9501 114.2013 114.2013 + -180.0000 45.8488 55.1936 49.3961 48.2980 46.8430 59.6233 56.6787 + -87.3042 -127.4990 4.2610 66.1079 70.1396 -108.9488 103.8242 -122.5265 + -90.2854 -108.3282 180.0000 0.0000 + 158.6884 162.2534 154.7006 146.1557 122.7652 129.1539 168.0639 140.1643 + 145.0595 180.0000 180.0000 93.9564 156.1357 108.5826 180.0000 142.1278 + 128.8055 117.6139 116.2956 148.6967 + -134.7739 -126.7420 -162.3665 -72.2396 -129.0080 -10.6754 -11.9095 -110.7214 + -104.7258 180.0000 180.0000 -109.2689 -64.7831 -65.3077 180.0000 -48.5402 + -137.4433 -112.6440 -125.5775 -57.1000 + Initial conformation 163 + 92.2388 92.2388 90.3570 89.0899 88.6572 93.0319 94.8258 87.9664 + 89.9076 100.1805 109.0732 89.5374 91.8151 101.7839 92.2014 133.2247 + 121.5017 117.9501 114.2013 114.2013 + -180.0000 45.8488 55.1936 49.3961 48.2980 46.8430 59.6233 56.6787 + -87.3042 -127.4990 4.2610 66.1079 70.1396 -108.9488 103.8242 -122.5265 + -90.2854 -108.3282 180.0000 0.0000 + 149.5914 164.8241 128.9810 145.8584 149.3086 149.8304 158.3039 140.4643 + 145.7387 180.0000 180.0000 102.0145 106.1329 157.0693 180.0000 112.6054 + 114.7167 124.1336 127.9904 133.9869 + -17.1584 -143.0799 -10.7800 -25.3876 -129.1831 13.4440 -138.9410 -74.6521 + -140.0781 180.0000 180.0000 -119.0392 -77.9311 2.0125 180.0000 -47.0704 + -117.0437 -129.7801 -135.2861 -68.6161 + Initial conformation 164 + 92.2388 92.2388 90.3570 89.0899 88.6572 93.0319 94.8258 87.9664 + 89.9076 100.1805 109.0732 89.5374 91.8151 101.7839 92.2014 133.2247 + 121.5017 117.9501 114.2013 114.2013 + -180.0000 45.8488 55.1936 49.3961 48.2980 46.8430 59.6233 56.6787 + -87.3042 -127.4990 4.2610 66.1079 70.1396 -108.9488 103.8242 -122.5265 + -90.2854 -108.3282 180.0000 0.0000 + 142.4922 148.1784 164.4568 134.8104 136.1402 163.9864 151.8158 145.0308 + 150.8780 180.0000 180.0000 87.0771 110.2395 97.7357 180.0000 100.8193 + 121.5283 122.8193 130.0917 96.0842 + -76.0110 -118.7776 173.4761 -85.7810 -137.8022 161.5079 -23.7531 -92.7010 + -27.8628 180.0000 180.0000 -108.1350 -61.4019 -59.2642 180.0000 -45.3870 + -126.2249 -123.6417 -143.8022 -55.7383 + Initial conformation 165 + 92.2388 92.2388 90.3570 89.0899 88.6572 93.0319 94.8258 87.9664 + 89.9076 100.1805 109.0732 89.5374 91.8151 101.7839 92.2014 133.2247 + 121.5017 117.9501 114.2013 114.2013 + -180.0000 45.8488 55.1936 49.3961 48.2980 46.8430 59.6233 56.6787 + -87.3042 -127.4990 4.2610 66.1079 70.1396 -108.9488 103.8242 -122.5265 + -90.2854 -108.3282 180.0000 0.0000 + 155.8480 135.2727 125.7802 138.1488 125.1390 150.4971 150.6690 132.0307 + 152.0443 180.0000 180.0000 97.1625 171.6882 148.0292 180.0000 132.8708 + 123.0908 112.9753 119.3549 89.9263 + -15.7191 -171.7219 -20.0859 -87.5022 -99.1077 12.1112 -165.4132 -11.1064 + -158.0247 180.0000 180.0000 -101.4236 -159.2286 -133.5229 180.0000 165.8651 + -135.6463 -118.4549 -121.7390 -56.9661 + Initial conformation 166 + 92.2388 92.2388 90.3570 89.0899 88.6572 93.0319 94.8258 87.9664 + 89.9076 100.1805 109.0732 89.5374 91.8151 101.7839 92.2014 133.2247 + 121.5017 117.9501 114.2013 114.2013 + -180.0000 45.8488 55.1936 49.3961 48.2980 46.8430 59.6233 56.6787 + -87.3042 -127.4990 4.2610 66.1079 70.1396 -108.9488 103.8242 -122.5265 + -90.2854 -108.3282 180.0000 0.0000 + 149.9360 161.0507 148.1608 146.6575 146.8995 157.7428 147.5129 121.2355 + 135.2898 180.0000 180.0000 96.4204 156.7858 159.6937 180.0000 119.9703 + 120.0681 109.1374 119.0344 96.4699 + -129.5156 161.4973 163.0777 -75.9925 -148.0410 155.4309 -165.4440 -105.4353 + -100.8988 180.0000 180.0000 -119.6208 -117.2985 -99.7138 180.0000 -44.4566 + -130.0373 -110.4187 -116.2048 -69.6704 + Initial conformation 167 + 92.2388 92.2388 90.3570 89.0899 88.6572 93.0319 94.8258 87.9664 + 89.9076 100.1805 109.0732 89.5374 91.8151 101.7839 92.2014 133.2247 + 121.5017 117.9501 114.2013 114.2013 + -180.0000 45.8488 55.1936 49.3961 48.2980 46.8430 59.6233 56.6787 + -87.3042 -127.4990 4.2610 66.1079 70.1396 -108.9488 103.8242 -122.5265 + -90.2854 -108.3282 180.0000 0.0000 + 149.2284 149.7832 141.4247 140.2683 147.5634 151.5795 134.6797 149.4827 + 132.6839 180.0000 180.0000 92.8789 145.7756 156.4264 180.0000 121.5730 + 125.4754 134.2664 125.8068 105.2565 + -23.1474 -133.1950 157.2401 -88.0020 -103.9112 -139.5537 -64.1737 -99.4392 + -69.2138 180.0000 180.0000 -107.6136 -65.6340 -115.4554 180.0000 -70.7904 + -139.8668 -146.3011 -131.5842 -68.2591 + Initial conformation 168 + 92.2388 92.2388 90.3570 89.0899 88.6572 93.0319 94.8258 87.9664 + 89.9076 100.1805 109.0732 89.5374 91.8151 101.7839 92.2014 133.2247 + 121.5017 117.9501 114.2013 114.2013 + -180.0000 45.8488 55.1936 49.3961 48.2980 46.8430 59.6233 56.6787 + -87.3042 -127.4990 4.2610 66.1079 70.1396 -108.9488 103.8242 -122.5265 + -90.2854 -108.3282 180.0000 0.0000 + 145.1121 151.8139 150.2923 143.0288 140.9855 155.1517 139.6461 174.7736 + 141.7738 180.0000 180.0000 98.2770 106.5684 100.2372 180.0000 133.1939 + 123.9431 117.5523 115.3276 133.6767 + -168.1182 167.6591 140.1801 -96.2882 -102.6692 153.6596 -99.3687 -72.0122 + -89.4931 180.0000 180.0000 -110.6761 -68.4243 -72.9271 180.0000 102.7205 + -133.5741 -122.7322 -116.3144 -99.9227 + Initial conformation 169 + 92.2388 92.2388 90.3570 89.0899 88.6572 93.0319 94.8258 87.9664 + 89.9076 100.1805 109.0732 89.5374 91.8151 101.7839 92.2014 133.2247 + 121.5017 117.9501 114.2013 114.2013 + -180.0000 45.8488 55.1936 49.3961 48.2980 46.8430 59.6233 56.6787 + -87.3042 -127.4990 4.2610 66.1079 70.1396 -108.9488 103.8242 -122.5265 + -90.2854 -108.3282 180.0000 0.0000 + 156.7265 158.6196 136.8927 139.9720 152.4992 160.5800 138.3047 162.4083 + 136.9697 180.0000 180.0000 93.4114 99.6038 137.7450 180.0000 125.7217 + 121.8099 108.5619 119.1713 110.9764 + 11.7210 -11.4691 1.6328 -77.8271 -145.4461 150.5273 -120.7244 172.5556 + -127.4552 180.0000 180.0000 -108.5691 -71.2411 -117.6523 180.0000 -12.0378 + -133.0054 -116.0808 -119.8561 -75.0059 + Initial conformation 170 + 92.2388 92.2388 90.3570 89.0899 88.6572 93.0319 94.8258 87.9664 + 89.9076 100.1805 109.0732 89.5374 91.8151 101.7839 92.2014 133.2247 + 121.5017 117.9501 114.2013 114.2013 + -180.0000 45.8488 55.1936 49.3961 48.2980 46.8430 59.6233 56.6787 + -87.3042 -127.4990 4.2610 66.1079 70.1396 -108.9488 103.8242 -122.5265 + -90.2854 -108.3282 180.0000 0.0000 + 163.8971 157.2855 144.3781 129.7100 138.0651 151.2986 151.4392 126.9329 + 136.2446 180.0000 180.0000 100.3153 140.8599 102.9544 180.0000 138.0106 + 119.5198 122.8756 116.8531 108.2977 + -162.0038 -12.6852 163.5339 -82.9183 -73.2997 143.8452 -143.2851 -60.1195 + -153.2124 180.0000 180.0000 -85.7847 -56.9460 -68.4708 180.0000 -139.8066 + -129.1261 -125.8677 -118.6096 -66.7846 + Initial conformation 171 + 92.2388 92.2388 90.3570 89.0899 88.6572 93.0319 94.8258 87.9664 + 89.9076 100.1805 109.0732 89.5374 91.8151 101.7839 92.2014 133.2247 + 121.5017 117.9501 114.2013 114.2013 + -180.0000 45.8488 55.1936 49.3961 48.2980 46.8430 59.6233 56.6787 + -87.3042 -127.4990 4.2610 66.1079 70.1396 -108.9488 103.8242 -122.5265 + -90.2854 -108.3282 180.0000 0.0000 + 166.2811 159.3018 142.8369 143.7860 133.8263 162.8226 156.4370 168.4011 + 134.7752 180.0000 180.0000 96.8812 110.9387 156.2299 180.0000 140.5113 + 110.5682 119.0019 118.2612 160.1481 + 3.1055 -117.7869 171.9792 -66.7953 -113.0865 126.5918 -130.2152 174.5065 + -147.1635 180.0000 180.0000 -114.8313 -75.1857 -80.2438 180.0000 -82.4939 + -113.2347 -119.3555 -122.3760 -65.9238 + Initial conformation 172 + 92.2388 92.2388 90.3570 89.0899 88.6572 93.0319 94.8258 87.9664 + 89.9076 100.1805 109.0732 89.5374 91.8151 101.7839 92.2014 133.2247 + 121.5017 117.9501 114.2013 114.2013 + -180.0000 45.8488 55.1936 49.3961 48.2980 46.8430 59.6233 56.6787 + -87.3042 -127.4990 4.2610 66.1079 70.1396 -108.9488 103.8242 -122.5265 + -90.2854 -108.3282 180.0000 0.0000 + 149.3259 157.8202 139.6162 135.0401 130.3445 136.1217 159.7733 154.4112 + 141.9850 180.0000 180.0000 94.9073 94.9247 135.0369 180.0000 101.6874 + 118.8532 111.3518 128.9789 156.6081 + -121.9644 -114.4034 -0.8039 -90.5835 -8.5167 -2.7311 -37.3322 -81.8851 + -90.0398 180.0000 180.0000 -101.8012 -60.2556 -78.9819 180.0000 -172.1774 + -119.8539 -107.8603 -132.4441 -130.0969 + Initial conformation 173 + 92.2388 92.2388 90.3570 89.0899 88.6572 93.0319 94.8258 87.9664 + 89.9076 100.1805 109.0732 89.5374 91.8151 101.7839 92.2014 133.2247 + 121.5017 117.9501 114.2013 114.2013 + -180.0000 45.8488 55.1936 49.3961 48.2980 46.8430 59.6233 56.6787 + -87.3042 -127.4990 4.2610 66.1079 70.1396 -108.9488 103.8242 -122.5265 + -90.2854 -108.3282 180.0000 0.0000 + 124.9431 167.0036 140.5249 136.2709 150.8756 104.4675 142.7052 139.4947 + 127.5904 180.0000 180.0000 94.2180 110.5883 143.9442 180.0000 116.1709 + 128.8609 123.4975 116.1184 102.2129 + -133.3029 -155.5135 -169.3359 -58.6769 -157.2305 -110.3378 -147.0615 -153.4793 + -136.4020 180.0000 180.0000 -109.4406 -71.7649 1.2861 180.0000 -116.1417 + -146.7772 -134.1931 -111.9056 -68.0180 + Initial conformation 174 + 92.2388 92.2388 90.3570 89.0899 88.6572 93.0319 94.8258 87.9664 + 89.9076 100.1805 109.0732 89.5374 91.8151 101.7839 92.2014 133.2247 + 121.5017 117.9501 114.2013 114.2013 + -180.0000 45.8488 55.1936 49.3961 48.2980 46.8430 59.6233 56.6787 + -87.3042 -127.4990 4.2610 66.1079 70.1396 -108.9488 103.8242 -122.5265 + -90.2854 -108.3282 180.0000 0.0000 + 155.6523 161.2191 143.0219 133.6313 96.1763 127.7539 151.2469 125.3060 + 154.0118 180.0000 180.0000 100.2355 153.3394 107.0053 180.0000 153.3414 + 121.7694 118.9558 121.9025 85.0599 + -136.2695 -38.0225 -174.9830 -82.9717 -99.9674 -30.3725 -94.6621 -67.9708 + -129.4228 180.0000 180.0000 -107.8126 -87.0356 -70.5484 180.0000 119.5683 + -130.8507 -120.4447 -119.7431 -72.5980 + Initial conformation 175 + 92.2388 92.2388 90.3570 89.0899 88.6572 93.0319 94.8258 87.9664 + 89.9076 100.1805 109.0732 89.5374 91.8151 101.7839 92.2014 133.2247 + 121.5017 117.9501 114.2013 114.2013 + -180.0000 45.8488 55.1936 49.3961 48.2980 46.8430 59.6233 56.6787 + -87.3042 -127.4990 4.2610 66.1079 70.1396 -108.9488 103.8242 -122.5265 + -90.2854 -108.3282 180.0000 0.0000 + 153.6468 140.2752 149.3133 146.6951 128.8833 153.7461 148.6076 134.7532 + 149.1507 180.0000 180.0000 98.7626 125.4474 106.3408 180.0000 161.1538 + 118.2956 108.5535 123.7678 136.0977 + -154.4487 -138.8331 -13.4020 -64.0812 -99.0487 171.9494 -50.8352 -114.7116 + -114.8315 180.0000 180.0000 -120.8058 -49.5142 -74.5830 180.0000 -71.9150 + -127.5991 -114.4301 -124.3594 -7.2515 + Initial conformation 176 + 92.2388 92.2388 90.3570 89.0899 88.6572 93.0319 94.8258 87.9664 + 89.9076 100.1805 109.0732 89.5374 91.8151 101.7839 92.2014 133.2247 + 121.5017 117.9501 114.2013 114.2013 + -180.0000 45.8488 55.1936 49.3961 48.2980 46.8430 59.6233 56.6787 + -87.3042 -127.4990 4.2610 66.1079 70.1396 -108.9488 103.8242 -122.5265 + -90.2854 -108.3282 180.0000 0.0000 + 156.8296 151.9983 134.7145 140.8027 143.0551 128.6925 149.2061 140.0250 + 96.2862 180.0000 180.0000 98.2331 138.7127 135.6726 180.0000 134.1368 + 114.7341 120.1838 127.3881 136.7892 + -133.2077 -101.2482 -19.7929 -65.3718 -53.2725 -4.1350 -86.8042 -149.2182 + -89.9577 180.0000 180.0000 -114.9015 -25.3014 -96.1758 180.0000 139.3001 + -127.6436 -122.0178 -128.1596 -125.5558 + Initial conformation 177 + 92.2388 92.2388 90.3570 89.0899 88.6572 93.0319 94.8258 87.9664 + 89.9076 100.1805 109.0732 89.5374 91.8151 101.7839 92.2014 133.2247 + 121.5017 117.9501 114.2013 114.2013 + -180.0000 45.8488 55.1936 49.3961 48.2980 46.8430 59.6233 56.6787 + -87.3042 -127.4990 4.2610 66.1079 70.1396 -108.9488 103.8242 -122.5265 + -90.2854 -108.3282 180.0000 0.0000 + 165.1870 162.8401 144.6143 145.7215 137.6673 141.4839 155.3667 155.2598 + 130.2319 180.0000 180.0000 92.4238 168.4553 100.4776 180.0000 149.4445 + 129.8702 122.5882 119.5733 101.8306 + -33.7653 -3.0231 -2.6056 -91.1099 -107.0377 -28.5364 -23.0610 -93.1129 + -146.9759 180.0000 180.0000 -113.8969 -56.1265 -57.4272 180.0000 -78.2980 + -142.7270 -126.4556 -128.5874 -44.3580 + Initial conformation 178 + 92.2388 92.2388 90.3570 89.0899 88.6572 93.0319 94.8258 87.9664 + 89.9076 100.1805 109.0732 89.5374 91.8151 101.7839 92.2014 133.2247 + 121.5017 117.9501 114.2013 114.2013 + -180.0000 45.8488 55.1936 49.3961 48.2980 46.8430 59.6233 56.6787 + -87.3042 -127.4990 4.2610 66.1079 70.1396 -108.9488 103.8242 -122.5265 + -90.2854 -108.3282 180.0000 0.0000 + 142.7130 164.4966 154.5111 123.9920 167.9631 143.0121 123.9759 171.9866 + 142.6654 180.0000 180.0000 95.1193 148.4296 102.2702 180.0000 131.2464 + 126.8321 126.2608 108.8292 156.2145 + -163.3092 -129.0554 -178.2871 -77.3482 -60.6024 148.5026 -116.4571 -77.4986 + -119.0931 180.0000 180.0000 -119.8328 -90.5819 -74.3634 180.0000 -129.8202 + -133.4785 -138.1885 -105.2976 -139.0790 + Initial conformation 179 + 92.2388 92.2388 90.3570 89.0899 88.6572 93.0319 94.8258 87.9664 + 89.9076 100.1805 109.0732 89.5374 91.8151 101.7839 92.2014 133.2247 + 121.5017 117.9501 114.2013 114.2013 + -180.0000 45.8488 55.1936 49.3961 48.2980 46.8430 59.6233 56.6787 + -87.3042 -127.4990 4.2610 66.1079 70.1396 -108.9488 103.8242 -122.5265 + -90.2854 -108.3282 180.0000 0.0000 + 132.9450 150.2161 131.0176 137.0615 160.8780 169.0386 166.6658 133.8468 + 134.3451 180.0000 180.0000 97.4624 157.4844 123.1333 180.0000 155.8235 + 125.5543 119.7076 114.8621 95.9085 + -138.9276 -149.2511 -37.9724 -72.8033 -151.9626 168.4684 -116.9240 -120.7660 + -131.6094 180.0000 180.0000 -100.3057 -60.5446 -80.0651 180.0000 -92.3144 + -131.7492 -124.5046 -118.3272 -64.8440 + Initial conformation 180 + 92.2388 92.2388 90.3570 89.0899 88.6572 93.0319 94.8258 87.9664 + 89.9076 100.1805 109.0732 89.5374 91.8151 101.7839 92.2014 133.2247 + 121.5017 117.9501 114.2013 114.2013 + -180.0000 45.8488 55.1936 49.3961 48.2980 46.8430 59.6233 56.6787 + -87.3042 -127.4990 4.2610 66.1079 70.1396 -108.9488 103.8242 -122.5265 + -90.2854 -108.3282 180.0000 0.0000 + 149.9434 151.7100 144.8290 133.7218 129.8379 150.8859 169.6914 155.6591 + 123.8767 180.0000 180.0000 95.3427 99.3152 143.3907 180.0000 123.1615 + 126.0545 120.4928 125.4619 151.4998 + -127.7183 -135.2243 -0.7583 -91.4278 -68.4758 -135.2023 -163.7189 159.6596 + -85.2205 180.0000 180.0000 -112.6683 -57.7107 -9.9565 180.0000 -134.3582 + -136.3195 -128.8515 -132.2245 -154.2034 + Initial conformation 181 + 92.2388 92.2388 90.3570 89.0899 88.6572 93.0319 94.8258 87.9664 + 89.9076 100.1805 109.0732 89.5374 91.8151 101.7839 92.2014 133.2247 + 121.5017 117.9501 114.2013 114.2013 + -180.0000 45.8488 55.1936 49.3961 48.2980 46.8430 59.6233 56.6787 + -87.3042 -127.4990 4.2610 66.1079 70.1396 -108.9488 103.8242 -122.5265 + -90.2854 -108.3282 180.0000 0.0000 + 147.6913 164.1184 155.4621 135.9281 142.6913 134.0358 158.6645 175.6587 + 133.8483 180.0000 180.0000 95.7912 158.7969 114.4042 180.0000 113.9162 + 129.4419 116.8557 121.2170 97.5695 + 26.2322 170.8467 7.4216 -93.5723 -47.7508 -26.6651 -142.9900 173.8511 + -91.1432 180.0000 180.0000 -131.6683 -63.7842 -59.3082 180.0000 -136.0544 + -139.9843 -124.2837 -126.9566 -64.0442 + Initial conformation 182 + 92.2388 92.2388 90.3570 89.0899 88.6572 93.0319 94.8258 87.9664 + 89.9076 100.1805 109.0732 89.5374 91.8151 101.7839 92.2014 133.2247 + 121.5017 117.9501 114.2013 114.2013 + -180.0000 45.8488 55.1936 49.3961 48.2980 46.8430 59.6233 56.6787 + -87.3042 -127.4990 4.2610 66.1079 70.1396 -108.9488 103.8242 -122.5265 + -90.2854 -108.3282 180.0000 0.0000 + 149.3827 159.9539 152.5771 142.2327 120.4034 169.6589 159.2149 165.8373 + 138.0602 180.0000 180.0000 99.8782 122.4508 131.3967 180.0000 142.3677 + 122.5825 117.0358 124.8819 136.4114 + -160.6770 -31.3257 178.0540 -83.2531 -96.2908 128.8151 -113.6774 -146.5344 + -94.4744 180.0000 180.0000 -101.1015 -79.2264 -136.3918 180.0000 -82.4234 + -136.4016 -127.4962 -127.9077 -141.7984 + Initial conformation 183 + 92.2388 92.2388 90.3570 89.0899 88.6572 93.0319 94.8258 87.9664 + 89.9076 100.1805 109.0732 89.5374 91.8151 101.7839 92.2014 133.2247 + 121.5017 117.9501 114.2013 114.2013 + -180.0000 45.8488 55.1936 49.3961 48.2980 46.8430 59.6233 56.6787 + -87.3042 -127.4990 4.2610 66.1079 70.1396 -108.9488 103.8242 -122.5265 + -90.2854 -108.3282 180.0000 0.0000 + 146.4863 162.6335 146.1991 145.9383 144.9232 149.9288 151.0845 138.6655 + 143.3687 180.0000 180.0000 94.8750 168.5707 88.6777 180.0000 152.3798 + 106.5037 111.4514 110.6870 102.9978 + -144.7007 -14.2839 161.9091 -80.9527 150.3116 -167.2977 -103.6079 -91.6565 + -84.6537 180.0000 180.0000 -104.4205 -110.6116 -63.5851 180.0000 159.8859 + -112.3503 -112.9223 -112.5599 -62.9154 + Initial conformation 184 + 92.2388 92.2388 90.3570 89.0899 88.6572 93.0319 94.8258 87.9664 + 89.9076 100.1805 109.0732 89.5374 91.8151 101.7839 92.2014 133.2247 + 121.5017 117.9501 114.2013 114.2013 + -180.0000 45.8488 55.1936 49.3961 48.2980 46.8430 59.6233 56.6787 + -87.3042 -127.4990 4.2610 66.1079 70.1396 -108.9488 103.8242 -122.5265 + -90.2854 -108.3282 180.0000 0.0000 + 162.5926 144.0797 148.1438 142.6414 159.1450 165.4805 156.6639 150.7883 + 135.8884 180.0000 180.0000 92.7499 143.3878 147.5475 180.0000 114.4341 + 127.2825 120.6934 115.0297 141.1931 + 4.6162 -121.4246 4.2669 -103.5413 -150.0479 162.4707 -11.9660 -84.9630 + 7.4964 180.0000 180.0000 -87.1305 -97.2267 -96.8348 180.0000 -29.4806 + -136.9166 -125.3677 -117.0303 -102.7544 + Initial conformation 185 + 92.2388 92.2388 90.3570 89.0899 88.6572 93.0319 94.8258 87.9664 + 89.9076 100.1805 109.0732 89.5374 91.8151 101.7839 92.2014 133.2247 + 121.5017 117.9501 114.2013 114.2013 + -180.0000 45.8488 55.1936 49.3961 48.2980 46.8430 59.6233 56.6787 + -87.3042 -127.4990 4.2610 66.1079 70.1396 -108.9488 103.8242 -122.5265 + -90.2854 -108.3282 180.0000 0.0000 + 141.5909 155.5357 142.2595 123.9252 159.7206 154.0617 153.8086 148.8290 + 141.4558 180.0000 180.0000 89.2342 111.3091 108.7209 180.0000 124.2007 + 111.8601 117.0092 125.1996 152.1270 + -122.7279 -105.3221 -173.8232 -80.5995 -111.5485 -156.2954 -98.4513 -94.4968 + -17.0461 180.0000 180.0000 -118.1661 -79.0694 -64.6447 180.0000 -87.9211 + -115.7911 -117.7286 -125.5227 -90.6838 + Initial conformation 186 + 92.2388 92.2388 90.3570 89.0899 88.6572 93.0319 94.8258 87.9664 + 89.9076 100.1805 109.0732 89.5374 91.8151 101.7839 92.2014 133.2247 + 121.5017 117.9501 114.2013 114.2013 + -180.0000 45.8488 55.1936 49.3961 48.2980 46.8430 59.6233 56.6787 + -87.3042 -127.4990 4.2610 66.1079 70.1396 -108.9488 103.8242 -122.5265 + -90.2854 -108.3282 180.0000 0.0000 + 150.1401 140.4136 141.3597 133.4310 139.0427 135.9914 154.0872 130.3603 + 141.3421 180.0000 180.0000 97.9192 111.5807 150.0388 180.0000 129.9348 + 134.7060 119.3290 126.1810 134.8196 + -104.2780 -110.0401 143.4051 -76.3884 -95.7261 12.9483 -101.6867 -96.6783 + 13.5165 180.0000 180.0000 -84.8021 -67.6430 -63.8262 180.0000 -88.6342 + -142.7791 -123.6086 -133.4110 -89.7143 + Initial conformation 187 + 92.2388 92.2388 90.3570 89.0899 88.6572 93.0319 94.8258 87.9664 + 89.9076 100.1805 109.0732 89.5374 91.8151 101.7839 92.2014 133.2247 + 121.5017 117.9501 114.2013 114.2013 + -180.0000 45.8488 55.1936 49.3961 48.2980 46.8430 59.6233 56.6787 + -87.3042 -127.4990 4.2610 66.1079 70.1396 -108.9488 103.8242 -122.5265 + -90.2854 -108.3282 180.0000 0.0000 + 150.0919 151.0968 153.5198 133.2195 118.7957 154.3757 163.7314 158.9361 + 107.1197 180.0000 180.0000 96.3986 136.1123 123.6957 180.0000 119.2948 + 121.8840 121.8933 123.8360 154.1349 + 177.9004 -58.4402 -170.6430 -97.9031 -134.7481 118.4642 -150.6818 -169.9739 + -76.0934 180.0000 180.0000 -107.3203 -84.2992 -16.6673 180.0000 -159.7284 + -130.9097 -124.6044 -116.4026 -69.2325 + Initial conformation 188 + 92.2388 92.2388 90.3570 89.0899 88.6572 93.0319 94.8258 87.9664 + 89.9076 100.1805 109.0732 89.5374 91.8151 101.7839 92.2014 133.2247 + 121.5017 117.9501 114.2013 114.2013 + -180.0000 45.8488 55.1936 49.3961 48.2980 46.8430 59.6233 56.6787 + -87.3042 -127.4990 4.2610 66.1079 70.1396 -108.9488 103.8242 -122.5265 + -90.2854 -108.3282 180.0000 0.0000 + 151.7452 147.2832 124.2713 140.0242 134.6471 101.7113 158.5023 141.5011 + 124.6836 180.0000 180.0000 99.0607 110.8322 138.7350 180.0000 140.0307 + 116.0377 118.8850 124.4165 134.4553 + -173.0815 -156.9277 -34.4798 -90.0111 -64.3906 -51.2622 -119.1858 -69.8862 + -136.7358 180.0000 180.0000 -107.4170 -74.6385 -100.6316 180.0000 -73.9414 + -124.6034 -118.0696 -124.9926 -142.8541 + Initial conformation 189 + 92.2388 92.2388 90.3570 89.0899 88.6572 93.0319 94.8258 87.9664 + 89.9076 100.1805 109.0732 89.5374 91.8151 101.7839 92.2014 133.2247 + 121.5017 117.9501 114.2013 114.2013 + -180.0000 45.8488 55.1936 49.3961 48.2980 46.8430 59.6233 56.6787 + -87.3042 -127.4990 4.2610 66.1079 70.1396 -108.9488 103.8242 -122.5265 + -90.2854 -108.3282 180.0000 0.0000 + 156.5189 142.1976 125.8210 140.6732 139.3513 166.2380 155.8395 143.0883 + 140.2005 180.0000 180.0000 110.9985 123.7867 129.6781 180.0000 139.3024 + 119.2121 117.9869 116.9088 143.5253 + -143.8798 -88.8749 -106.8782 -88.2495 -159.1911 174.6415 -23.4302 -124.0167 + -132.5772 180.0000 180.0000 -106.3754 -85.8842 -50.8213 180.0000 140.2136 + -126.5499 -119.2971 -113.8390 -57.7680 + Initial conformation 190 + 92.2388 92.2388 90.3570 89.0899 88.6572 93.0319 94.8258 87.9664 + 89.9076 100.1805 109.0732 89.5374 91.8151 101.7839 92.2014 133.2247 + 121.5017 117.9501 114.2013 114.2013 + -180.0000 45.8488 55.1936 49.3961 48.2980 46.8430 59.6233 56.6787 + -87.3042 -127.4990 4.2610 66.1079 70.1396 -108.9488 103.8242 -122.5265 + -90.2854 -108.3282 180.0000 0.0000 + 155.1508 150.7251 152.4949 143.1494 139.2631 174.8430 152.4192 151.3129 + 126.4078 180.0000 180.0000 104.7746 110.4163 114.8500 180.0000 145.3626 + 124.0406 123.3022 118.4543 139.7522 + -132.2705 -13.2795 164.9529 -77.4115 -67.9136 120.8397 -31.7418 -150.0028 + -133.8648 180.0000 180.0000 -112.0359 -55.4516 -73.3104 180.0000 -77.0923 + -127.4980 -128.3969 -112.1136 -79.0514 + Initial conformation 191 + 92.2388 92.2388 90.3570 89.0899 88.6572 93.0319 94.8258 87.9664 + 89.9076 100.1805 109.0732 89.5374 91.8151 101.7839 92.2014 133.2247 + 121.5017 117.9501 114.2013 114.2013 + -180.0000 45.8488 55.1936 49.3961 48.2980 46.8430 59.6233 56.6787 + -87.3042 -127.4990 4.2610 66.1079 70.1396 -108.9488 103.8242 -122.5265 + -90.2854 -108.3282 180.0000 0.0000 + 153.2022 160.8228 136.0479 142.2183 134.0700 132.6938 164.7045 163.7927 + 139.0736 180.0000 180.0000 106.0041 101.4250 163.1486 180.0000 167.4743 + 117.5100 114.4454 115.6943 144.7661 + 6.6523 -109.9159 -6.0037 -76.7374 -169.3267 -25.1554 -176.4693 -171.8322 + -98.9386 180.0000 180.0000 -129.5113 -70.3892 -45.4319 180.0000 149.5665 + -127.0196 -123.7311 -119.9763 -88.7743 + Initial conformation 192 + 92.2388 92.2388 90.3570 89.0899 88.6572 93.0319 94.8258 87.9664 + 89.9076 100.1805 109.0732 89.5374 91.8151 101.7839 92.2014 133.2247 + 121.5017 117.9501 114.2013 114.2013 + -180.0000 45.8488 55.1936 49.3961 48.2980 46.8430 59.6233 56.6787 + -87.3042 -127.4990 4.2610 66.1079 70.1396 -108.9488 103.8242 -122.5265 + -90.2854 -108.3282 180.0000 0.0000 + 142.4609 166.8846 101.0386 136.4817 147.2656 141.9587 156.1944 126.8314 + 128.9302 180.0000 180.0000 111.0968 149.6732 107.1025 180.0000 153.7803 + 130.9886 123.4169 119.3544 150.6251 + -124.0071 -138.1110 -99.0625 -87.2756 -137.3680 16.1543 -117.8875 -20.2074 + -121.2103 180.0000 180.0000 -113.4559 -102.1045 -71.4659 180.0000 -44.3258 + -143.1965 -133.3713 -119.5424 -69.8067 + Initial conformation 193 + 92.2388 92.2388 90.3570 89.0899 88.6572 93.0319 94.8258 87.9664 + 89.9076 100.1805 109.0732 89.5374 91.8151 101.7839 92.2014 133.2247 + 121.5017 117.9501 114.2013 114.2013 + -180.0000 45.8488 55.1936 49.3961 48.2980 46.8430 59.6233 56.6787 + -87.3042 -127.4990 4.2610 66.1079 70.1396 -108.9488 103.8242 -122.5265 + -90.2854 -108.3282 180.0000 0.0000 + 142.8862 148.8578 146.3210 139.5005 121.2415 115.1837 159.5197 133.5906 + 144.0429 180.0000 180.0000 96.0602 153.4564 136.1729 180.0000 140.0062 + 123.9596 121.7697 121.6543 151.5909 + -138.5728 3.0831 171.9890 -92.9402 -154.6498 -34.6893 -29.0839 -124.2359 + -119.7245 180.0000 180.0000 -99.3558 -0.2118 -60.5065 180.0000 -88.0610 + -130.7884 -124.7246 -129.9229 -77.1621 + Initial conformation 194 + 92.2388 92.2388 90.3570 89.0899 88.6572 93.0319 94.8258 87.9664 + 89.9076 100.1805 109.0732 89.5374 91.8151 101.7839 92.2014 133.2247 + 121.5017 117.9501 114.2013 114.2013 + -180.0000 45.8488 55.1936 49.3961 48.2980 46.8430 59.6233 56.6787 + -87.3042 -127.4990 4.2610 66.1079 70.1396 -108.9488 103.8242 -122.5265 + -90.2854 -108.3282 180.0000 0.0000 + 113.9256 156.6358 146.5760 130.9013 137.2687 133.9896 146.7053 137.3139 + 116.8963 180.0000 180.0000 97.5776 108.5350 161.6805 180.0000 100.7286 + 122.0324 114.6425 133.7063 143.9481 + -70.1241 -118.4446 -15.9757 -71.0640 44.4362 -17.9509 -5.9949 -120.0714 + -84.0558 180.0000 180.0000 -94.3194 -55.3602 -115.2137 180.0000 -82.1345 + -128.1168 -124.8412 -143.2101 -16.7457 + Initial conformation 195 + 92.2388 92.2388 90.3570 89.0899 88.6572 93.0319 94.8258 87.9664 + 89.9076 100.1805 109.0732 89.5374 91.8151 101.7839 92.2014 133.2247 + 121.5017 117.9501 114.2013 114.2013 + -180.0000 45.8488 55.1936 49.3961 48.2980 46.8430 59.6233 56.6787 + -87.3042 -127.4990 4.2610 66.1079 70.1396 -108.9488 103.8242 -122.5265 + -90.2854 -108.3282 180.0000 0.0000 + 133.2851 156.1636 146.1421 141.1158 146.8316 158.2162 149.0465 146.1748 + 130.6226 180.0000 180.0000 99.9749 133.3573 144.2664 180.0000 115.2898 + 118.0659 121.9916 122.2024 122.8670 + -93.5381 -9.6762 5.5940 -76.2176 -102.5819 146.7470 -150.6927 -155.6813 + -118.2385 180.0000 180.0000 -112.3107 -122.3169 -29.5000 180.0000 -56.7164 + -133.2835 -130.9884 -125.4470 -138.4127 + Initial conformation 196 + 92.2388 92.2388 90.3570 89.0899 88.6572 93.0319 94.8258 87.9664 + 89.9076 100.1805 109.0732 89.5374 91.8151 101.7839 92.2014 133.2247 + 121.5017 117.9501 114.2013 114.2013 + -180.0000 45.8488 55.1936 49.3961 48.2980 46.8430 59.6233 56.6787 + -87.3042 -127.4990 4.2610 66.1079 70.1396 -108.9488 103.8242 -122.5265 + -90.2854 -108.3282 180.0000 0.0000 + 130.0043 165.9684 132.6365 153.9145 141.8356 160.3356 142.2726 178.0131 + 146.6897 180.0000 180.0000 104.0754 151.2327 141.8077 180.0000 136.9017 + 136.2609 118.2325 115.8878 144.6865 + -124.6082 -134.2786 -14.9615 -93.0509 -79.5272 148.8149 -37.8157 -109.6244 + -83.5114 180.0000 180.0000 -126.8885 -96.5592 -68.5427 180.0000 176.1345 + -155.2486 -124.2040 -116.3975 -13.4958 + Initial conformation 197 + 92.2388 92.2388 90.3570 89.0899 88.6572 93.0319 94.8258 87.9664 + 89.9076 100.1805 109.0732 89.5374 91.8151 101.7839 92.2014 133.2247 + 121.5017 117.9501 114.2013 114.2013 + -180.0000 45.8488 55.1936 49.3961 48.2980 46.8430 59.6233 56.6787 + -87.3042 -127.4990 4.2610 66.1079 70.1396 -108.9488 103.8242 -122.5265 + -90.2854 -108.3282 180.0000 0.0000 + 150.3545 162.4179 141.3537 139.5891 145.7174 159.5449 156.5306 167.4667 + 132.9825 180.0000 180.0000 109.5718 131.9419 138.0821 180.0000 128.0761 + 127.5357 115.9753 121.9609 100.8844 + -13.1696 -171.9961 -8.3022 -75.4510 -130.6228 115.0559 -132.3450 -38.9004 + -145.5980 180.0000 180.0000 -114.2399 -113.7723 -149.8142 180.0000 -134.1205 + -139.4134 -118.8815 -129.0256 -75.9141 + Initial conformation 198 + 92.2388 92.2388 90.3570 89.0899 88.6572 93.0319 94.8258 87.9664 + 89.9076 100.1805 109.0732 89.5374 91.8151 101.7839 92.2014 133.2247 + 121.5017 117.9501 114.2013 114.2013 + -180.0000 45.8488 55.1936 49.3961 48.2980 46.8430 59.6233 56.6787 + -87.3042 -127.4990 4.2610 66.1079 70.1396 -108.9488 103.8242 -122.5265 + -90.2854 -108.3282 180.0000 0.0000 + 113.3764 156.1299 138.3934 153.3488 151.9579 164.7589 160.2109 137.6432 + 141.6960 180.0000 180.0000 106.2332 137.7686 127.0127 180.0000 151.6415 + 119.5045 126.2895 126.1647 144.1941 + -91.6808 -92.3947 -12.9100 -80.7465 -161.2890 155.9224 -173.7862 -103.3108 + -102.9395 180.0000 180.0000 -97.2218 -111.7174 -95.6490 180.0000 -44.2257 + -128.1034 -133.1739 -132.2849 -116.1955 + Initial conformation 199 + 92.2388 92.2388 90.3570 89.0899 88.6572 93.0319 94.8258 87.9664 + 89.9076 100.1805 109.0732 89.5374 91.8151 101.7839 92.2014 133.2247 + 121.5017 117.9501 114.2013 114.2013 + -180.0000 45.8488 55.1936 49.3961 48.2980 46.8430 59.6233 56.6787 + -87.3042 -127.4990 4.2610 66.1079 70.1396 -108.9488 103.8242 -122.5265 + -90.2854 -108.3282 180.0000 0.0000 + 160.7014 137.3632 143.5134 138.2374 137.1128 157.6950 145.6025 139.5313 + 167.2116 180.0000 180.0000 100.7079 107.4438 157.5373 180.0000 121.1057 + 122.8767 117.3417 118.3097 105.0326 + 3.5453 -106.9661 179.1597 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94.8258 87.9664 + 89.9076 100.1805 109.0732 89.5374 91.8151 101.7839 92.2014 133.2247 + 121.5017 117.9501 114.2013 114.2013 + -180.0000 45.8488 55.1936 49.3961 48.2980 46.8430 59.6233 56.6787 + -87.3042 -127.4990 4.2610 66.1079 70.1396 -108.9488 103.8242 -122.5265 + -90.2854 -108.3282 180.0000 0.0000 + 162.7579 148.0116 148.7665 136.6725 143.2638 126.0461 160.2597 134.0910 + 160.8168 180.0000 180.0000 85.7084 100.6386 143.4404 180.0000 145.2347 + 112.7125 132.5902 119.7614 155.0694 + -162.2201 -152.0887 1.0234 -74.8611 -94.5714 -13.1938 -5.1266 -65.7798 + -22.0126 180.0000 180.0000 -98.9957 -74.7527 -26.4326 180.0000 -166.5650 + -115.9183 -143.1783 -126.8230 -71.6139 + Initial conformation 202 + 92.2388 92.2388 90.3570 89.0899 88.6572 93.0319 94.8258 87.9664 + 89.9076 100.1805 109.0732 89.5374 91.8151 101.7839 92.2014 133.2247 + 121.5017 117.9501 114.2013 114.2013 + -180.0000 45.8488 55.1936 49.3961 48.2980 46.8430 59.6233 56.6787 + -87.3042 -127.4990 4.2610 66.1079 70.1396 -108.9488 103.8242 -122.5265 + -90.2854 -108.3282 180.0000 0.0000 + 144.2891 157.2734 126.1870 152.2744 135.2150 163.4943 149.5340 139.9126 + 135.8253 180.0000 180.0000 100.7928 112.6788 147.2191 180.0000 116.7612 + 104.3702 130.5686 123.8646 99.4096 + -177.5140 -170.0697 160.0697 -66.2644 -154.0682 -177.9818 -85.9823 -84.2816 + -100.3484 180.0000 180.0000 -110.7664 -75.3208 -101.7003 180.0000 -74.0112 + -109.4497 -134.1167 -132.7422 -72.8448 + Initial conformation 203 + 92.2388 92.2388 90.3570 89.0899 88.6572 93.0319 94.8258 87.9664 + 89.9076 100.1805 109.0732 89.5374 91.8151 101.7839 92.2014 133.2247 + 121.5017 117.9501 114.2013 114.2013 + -180.0000 45.8488 55.1936 49.3961 48.2980 46.8430 59.6233 56.6787 + -87.3042 -127.4990 4.2610 66.1079 70.1396 -108.9488 103.8242 -122.5265 + -90.2854 -108.3282 180.0000 0.0000 + 148.2130 160.9922 143.9603 148.2792 143.6712 137.9057 142.6588 130.5701 + 136.8916 180.0000 180.0000 103.7616 154.8708 142.8814 180.0000 128.6942 + 123.2127 121.4581 111.2081 135.7335 + -131.1450 -169.7838 -163.3818 -90.1321 -84.5028 -24.3938 -124.5927 -101.9319 + -108.2245 180.0000 180.0000 -126.0556 -10.1354 -46.0836 180.0000 36.4549 + -130.0938 -137.2259 -110.5558 -107.4214 + Initial conformation 204 + 92.2388 92.2388 90.3570 89.0899 88.6572 93.0319 94.8258 87.9664 + 89.9076 100.1805 109.0732 89.5374 91.8151 101.7839 92.2014 133.2247 + 121.5017 117.9501 114.2013 114.2013 + -180.0000 45.8488 55.1936 49.3961 48.2980 46.8430 59.6233 56.6787 + -87.3042 -127.4990 4.2610 66.1079 70.1396 -108.9488 103.8242 -122.5265 + -90.2854 -108.3282 180.0000 0.0000 + 147.6676 168.7073 143.9061 138.3260 147.5593 108.9017 155.9075 132.0388 + 138.8321 180.0000 180.0000 102.0196 153.9237 105.0914 180.0000 139.5232 + 115.5988 125.1632 117.3270 135.2066 + -129.5181 0.9067 -24.9031 -108.1600 -148.0523 -122.0668 -168.5831 -85.3718 + -107.4995 180.0000 180.0000 -120.0361 -94.1949 -78.1223 180.0000 153.0673 + -123.2022 -136.6717 -113.8288 -41.0766 + Initial conformation 205 + 92.2388 92.2388 90.3570 89.0899 88.6572 93.0319 94.8258 87.9664 + 89.9076 100.1805 109.0732 89.5374 91.8151 101.7839 92.2014 133.2247 + 121.5017 117.9501 114.2013 114.2013 + -180.0000 45.8488 55.1936 49.3961 48.2980 46.8430 59.6233 56.6787 + -87.3042 -127.4990 4.2610 66.1079 70.1396 -108.9488 103.8242 -122.5265 + -90.2854 -108.3282 180.0000 0.0000 + 132.2845 156.9534 138.1354 141.6639 157.3418 161.2683 155.1599 150.0759 + 164.8124 180.0000 180.0000 102.7660 139.2832 138.8158 180.0000 153.6132 + 118.2569 120.6378 116.1174 149.1377 + -144.7404 -39.8056 -12.6274 -102.9677 -96.6494 152.3612 -153.2535 -16.2961 + -40.6031 180.0000 180.0000 -109.9627 -63.8339 -85.0895 180.0000 -36.5934 + -127.8337 -124.9349 -114.4746 -161.7852 + Initial conformation 206 + 92.2388 92.2388 90.3570 89.0899 88.6572 93.0319 94.8258 87.9664 + 89.9076 100.1805 109.0732 89.5374 91.8151 101.7839 92.2014 133.2247 + 121.5017 117.9501 114.2013 114.2013 + -180.0000 45.8488 55.1936 49.3961 48.2980 46.8430 59.6233 56.6787 + -87.3042 -127.4990 4.2610 66.1079 70.1396 -108.9488 103.8242 -122.5265 + -90.2854 -108.3282 180.0000 0.0000 + 155.7537 147.2639 146.9227 147.6977 165.6175 160.2518 138.2245 129.8697 + 118.3193 180.0000 180.0000 89.6963 106.9418 103.4458 180.0000 126.5740 + 118.9829 121.3305 121.4871 129.9964 + -1.8004 -112.5590 -146.8545 -91.6350 176.3291 170.3043 -115.6172 -144.2269 + -73.8425 180.0000 180.0000 -87.8600 -76.8135 -72.8682 180.0000 122.1940 + -132.3270 -120.8398 -125.4699 -102.8501 + Initial conformation 207 + 92.2388 92.2388 90.3570 89.0899 88.6572 93.0319 94.8258 87.9664 + 89.9076 100.1805 109.0732 89.5374 91.8151 101.7839 92.2014 133.2247 + 121.5017 117.9501 114.2013 114.2013 + -180.0000 45.8488 55.1936 49.3961 48.2980 46.8430 59.6233 56.6787 + -87.3042 -127.4990 4.2610 66.1079 70.1396 -108.9488 103.8242 -122.5265 + -90.2854 -108.3282 180.0000 0.0000 + 154.0155 158.0764 132.6920 149.9831 137.6953 142.3365 143.4388 142.0356 + 165.8486 180.0000 180.0000 114.4275 135.9247 150.8119 180.0000 155.1138 + 126.3168 120.5833 117.8753 140.8088 + -144.8261 -123.8694 177.6855 -76.0526 -85.9138 -15.3459 -116.3034 -76.0873 + 16.2549 180.0000 180.0000 -116.3198 -105.6995 -40.4288 180.0000 -74.4196 + -137.1112 -131.4823 -114.0401 -119.0716 + Initial conformation 208 + 92.2388 92.2388 90.3570 89.0899 88.6572 93.0319 94.8258 87.9664 + 89.9076 100.1805 109.0732 89.5374 91.8151 101.7839 92.2014 133.2247 + 121.5017 117.9501 114.2013 114.2013 + -180.0000 45.8488 55.1936 49.3961 48.2980 46.8430 59.6233 56.6787 + -87.3042 -127.4990 4.2610 66.1079 70.1396 -108.9488 103.8242 -122.5265 + -90.2854 -108.3282 180.0000 0.0000 + 140.5399 153.5812 156.1776 137.7003 144.0502 138.7118 146.2673 143.1024 + 108.4677 180.0000 180.0000 99.7003 158.8123 156.3611 180.0000 126.0907 + 118.8585 122.1507 115.7675 135.2503 + -135.1204 -92.2472 174.5165 -91.6623 -153.6345 -141.6186 -149.8828 -132.3612 + -80.6605 180.0000 180.0000 -113.2763 -86.0353 -55.2589 180.0000 -133.6536 + -122.5081 -128.2402 -112.2307 -135.1295 + Initial conformation 209 + 92.2388 92.2388 90.3570 89.0899 88.6572 93.0319 94.8258 87.9664 + 89.9076 100.1805 109.0732 89.5374 91.8151 101.7839 92.2014 133.2247 + 121.5017 117.9501 114.2013 114.2013 + -180.0000 45.8488 55.1936 49.3961 48.2980 46.8430 59.6233 56.6787 + -87.3042 -127.4990 4.2610 66.1079 70.1396 -108.9488 103.8242 -122.5265 + -90.2854 -108.3282 180.0000 0.0000 + 139.4374 146.3479 152.1299 146.4018 159.8399 112.2381 155.5308 137.8929 + 161.3480 180.0000 180.0000 99.6267 155.4985 141.5318 180.0000 132.0564 + 113.4040 123.5646 114.9335 138.9408 + -126.7512 -59.0191 8.1552 -75.2329 -144.7775 -84.6548 -130.7464 -97.8006 + -30.9804 180.0000 180.0000 -115.0809 -47.8091 -150.4153 180.0000 176.1195 + -113.8650 -127.3560 -119.9519 -41.5655 + Initial conformation 210 + 92.2388 92.2388 90.3570 89.0899 88.6572 93.0319 94.8258 87.9664 + 89.9076 100.1805 109.0732 89.5374 91.8151 101.7839 92.2014 133.2247 + 121.5017 117.9501 114.2013 114.2013 + -180.0000 45.8488 55.1936 49.3961 48.2980 46.8430 59.6233 56.6787 + -87.3042 -127.4990 4.2610 66.1079 70.1396 -108.9488 103.8242 -122.5265 + -90.2854 -108.3282 180.0000 0.0000 + 134.6606 157.6801 166.8424 149.1456 130.0478 111.1251 155.1020 133.4902 + 145.4739 180.0000 180.0000 95.3759 110.9000 146.8910 180.0000 109.5474 + 116.2671 117.7381 120.2324 172.7196 + -136.5283 -3.6928 172.5551 -81.9224 -117.6977 -109.4503 -123.4933 -110.7733 + -147.6417 180.0000 180.0000 -114.8025 -75.2048 -14.4884 180.0000 -39.4276 + -122.6365 -120.6816 -117.2587 -61.8497 + Initial conformation 211 + 92.2388 92.2388 90.3570 89.0899 88.6572 93.0319 94.8258 87.9664 + 89.9076 100.1805 109.0732 89.5374 91.8151 101.7839 92.2014 133.2247 + 121.5017 117.9501 114.2013 114.2013 + -180.0000 45.8488 55.1936 49.3961 48.2980 46.8430 59.6233 56.6787 + -87.3042 -127.4990 4.2610 66.1079 70.1396 -108.9488 103.8242 -122.5265 + -90.2854 -108.3282 180.0000 0.0000 + 160.7586 162.8455 141.9959 140.5596 124.7267 116.9885 153.0575 151.4256 + 143.8589 180.0000 180.0000 98.3887 94.2711 105.6532 180.0000 122.2886 + 117.3481 126.4417 112.7883 144.5230 + -171.9258 -165.7831 -151.8053 -80.6890 -109.9062 -81.2264 -109.2547 -97.5565 + -108.7907 180.0000 180.0000 -104.2227 -74.0632 -59.8863 180.0000 -103.4854 + -116.2568 -131.7407 -116.7111 -122.1372 + Initial conformation 212 + 92.2388 92.2388 90.3570 89.0899 88.6572 93.0319 94.8258 87.9664 + 89.9076 100.1805 109.0732 89.5374 91.8151 101.7839 92.2014 133.2247 + 121.5017 117.9501 114.2013 114.2013 + -180.0000 45.8488 55.1936 49.3961 48.2980 46.8430 59.6233 56.6787 + -87.3042 -127.4990 4.2610 66.1079 70.1396 -108.9488 103.8242 -122.5265 + -90.2854 -108.3282 180.0000 0.0000 + 146.3253 152.1517 156.3744 142.5191 126.6864 149.1419 145.8633 140.1850 + 133.3899 180.0000 180.0000 93.2091 105.5175 100.8083 180.0000 123.3373 + 117.0768 120.7863 119.6904 121.1172 + -113.1400 -135.0832 176.3376 -78.3778 -89.3393 -25.5998 -117.4419 -113.2253 + -80.5753 180.0000 180.0000 -114.9867 -67.6671 -66.7978 180.0000 -109.7253 + -131.3451 -131.3202 -122.6894 -133.2654 + Initial conformation 213 + 92.2388 92.2388 90.3570 89.0899 88.6572 93.0319 94.8258 87.9664 + 89.9076 100.1805 109.0732 89.5374 91.8151 101.7839 92.2014 133.2247 + 121.5017 117.9501 114.2013 114.2013 + -180.0000 45.8488 55.1936 49.3961 48.2980 46.8430 59.6233 56.6787 + -87.3042 -127.4990 4.2610 66.1079 70.1396 -108.9488 103.8242 -122.5265 + -90.2854 -108.3282 180.0000 0.0000 + 150.0082 155.3508 138.2820 137.9169 130.9262 173.8528 145.7947 156.8647 + 136.5624 180.0000 180.0000 103.0928 156.8901 155.1540 180.0000 105.4118 + 128.5882 122.1772 119.1735 99.7951 + -153.9352 -9.3049 -179.6065 -79.3420 -88.0115 141.4158 -168.7547 169.3934 + -92.2898 180.0000 180.0000 -116.4445 0.8211 -109.6591 180.0000 -35.0292 + -129.9611 -130.4006 -119.3437 -67.5606 + Initial conformation 214 + 92.2388 92.2388 90.3570 89.0899 88.6572 93.0319 94.8258 87.9664 + 89.9076 100.1805 109.0732 89.5374 91.8151 101.7839 92.2014 133.2247 + 121.5017 117.9501 114.2013 114.2013 + -180.0000 45.8488 55.1936 49.3961 48.2980 46.8430 59.6233 56.6787 + -87.3042 -127.4990 4.2610 66.1079 70.1396 -108.9488 103.8242 -122.5265 + -90.2854 -108.3282 180.0000 0.0000 + 160.6344 154.5344 141.4096 151.3366 123.1888 144.1375 155.5780 127.6918 + 142.2161 180.0000 180.0000 89.5371 107.4566 174.9829 180.0000 117.1407 + 123.9196 124.3859 122.9958 130.6393 + -8.6136 -128.5166 171.7113 -87.9034 -88.7740 114.1807 -136.3967 -163.2557 + -156.3813 180.0000 180.0000 -109.2248 -54.5271 -108.0454 180.0000 77.4341 + -137.1840 -131.9279 -125.3253 -79.1272 + Initial conformation 215 + 92.2388 92.2388 90.3570 89.0899 88.6572 93.0319 94.8258 87.9664 + 89.9076 100.1805 109.0732 89.5374 91.8151 101.7839 92.2014 133.2247 + 121.5017 117.9501 114.2013 114.2013 + -180.0000 45.8488 55.1936 49.3961 48.2980 46.8430 59.6233 56.6787 + -87.3042 -127.4990 4.2610 66.1079 70.1396 -108.9488 103.8242 -122.5265 + -90.2854 -108.3282 180.0000 0.0000 + 148.3235 152.4331 110.4298 149.5141 130.9812 137.8053 166.4534 139.8779 + 148.9569 180.0000 180.0000 118.8128 109.9825 140.2856 180.0000 132.2928 + 116.8212 123.8371 122.3959 163.3569 + -117.1965 -21.4832 -18.6689 -85.9448 152.4264 163.6608 -10.4091 -109.3007 + -118.3942 180.0000 180.0000 -107.8536 -59.1325 -21.0187 180.0000 -69.5869 + -124.2206 -130.5201 -128.0666 -56.6600 + Initial conformation 216 + 92.2388 92.2388 90.3570 89.0899 88.6572 93.0319 94.8258 87.9664 + 89.9076 100.1805 109.0732 89.5374 91.8151 101.7839 92.2014 133.2247 + 121.5017 117.9501 114.2013 114.2013 + -180.0000 45.8488 55.1936 49.3961 48.2980 46.8430 59.6233 56.6787 + -87.3042 -127.4990 4.2610 66.1079 70.1396 -108.9488 103.8242 -122.5265 + -90.2854 -108.3282 180.0000 0.0000 + 154.6542 166.9017 151.7399 150.8004 142.8697 141.1304 172.3088 159.3097 + 111.3767 180.0000 180.0000 103.1448 112.0958 98.2138 180.0000 135.9501 + 124.0567 131.8925 131.7654 142.6147 + -146.3448 14.4048 141.8466 -73.4890 -129.8718 -8.0056 -153.9445 -135.3518 + -74.4881 180.0000 180.0000 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133.2247 + 121.5017 117.9501 114.2013 114.2013 + -180.0000 45.8488 55.1936 49.3961 48.2980 46.8430 59.6233 56.6787 + -87.3042 -127.4990 4.2610 66.1079 70.1396 -108.9488 103.8242 -122.5265 + -90.2854 -108.3282 180.0000 0.0000 + 131.8033 148.8041 115.6517 146.3152 155.1600 163.5012 155.7434 147.8327 + 145.3660 180.0000 180.0000 98.4230 169.3663 131.8116 180.0000 137.4826 + 118.2900 113.4804 119.0000 154.4643 + -144.6040 -150.7716 -121.2431 -85.5702 -99.5812 -16.4683 -39.8165 157.7929 + -110.1911 180.0000 180.0000 -104.4807 -77.9519 -59.9889 180.0000 -81.0226 + -127.4925 -109.5107 -121.2853 -38.3443 + Initial conformation 219 + 92.2388 92.2388 90.3570 89.0899 88.6572 93.0319 94.8258 87.9664 + 89.9076 100.1805 109.0732 89.5374 91.8151 101.7839 92.2014 133.2247 + 121.5017 117.9501 114.2013 114.2013 + -180.0000 45.8488 55.1936 49.3961 48.2980 46.8430 59.6233 56.6787 + -87.3042 -127.4990 4.2610 66.1079 70.1396 -108.9488 103.8242 -122.5265 + -90.2854 -108.3282 180.0000 0.0000 + 138.6492 153.1722 153.9171 142.0946 146.1507 144.5293 154.4961 136.7845 + 134.2297 180.0000 180.0000 111.2697 145.8160 97.3972 180.0000 99.5519 + 119.4329 118.2702 123.3466 132.8256 + -144.5666 -39.2657 6.0240 -82.3985 -137.7333 -179.9768 -111.8396 -17.6799 + -146.7942 180.0000 180.0000 -103.8273 -45.0175 -68.5363 180.0000 -152.4060 + -126.5184 -128.0262 -125.2131 -143.1067 + Initial conformation 220 + 92.2388 92.2388 90.3570 89.0899 88.6572 93.0319 94.8258 87.9664 + 89.9076 100.1805 109.0732 89.5374 91.8151 101.7839 92.2014 133.2247 + 121.5017 117.9501 114.2013 114.2013 + -180.0000 45.8488 55.1936 49.3961 48.2980 46.8430 59.6233 56.6787 + -87.3042 -127.4990 4.2610 66.1079 70.1396 -108.9488 103.8242 -122.5265 + -90.2854 -108.3282 180.0000 0.0000 + 139.1622 149.2203 149.3678 142.6740 150.0474 139.0012 150.1975 177.9368 + 135.2988 180.0000 180.0000 87.5600 156.5337 167.7454 180.0000 152.3537 + 125.4859 116.7950 125.6826 132.4835 + -117.3910 -93.1414 164.0856 -89.8368 -112.0481 -166.4768 -37.7656 -140.8427 + -149.4270 180.0000 180.0000 -94.3766 -62.8194 -22.5123 180.0000 119.8526 + -137.1257 -131.0421 -121.9740 -108.4935 + Initial conformation 221 + 92.2388 92.2388 90.3570 89.0899 88.6572 93.0319 94.8258 87.9664 + 89.9076 100.1805 109.0732 89.5374 91.8151 101.7839 92.2014 133.2247 + 121.5017 117.9501 114.2013 114.2013 + -180.0000 45.8488 55.1936 49.3961 48.2980 46.8430 59.6233 56.6787 + -87.3042 -127.4990 4.2610 66.1079 70.1396 -108.9488 103.8242 -122.5265 + -90.2854 -108.3282 180.0000 0.0000 + 132.7913 147.5803 141.8249 145.8773 146.0545 171.0437 151.1738 132.5565 + 125.4596 180.0000 180.0000 106.8926 137.6531 125.3914 180.0000 147.8006 + 116.5127 121.5645 118.2160 101.3334 + -97.9687 -98.9559 -1.2883 -93.5940 70.8482 141.6977 -112.7144 -140.5507 + -127.7495 180.0000 180.0000 -116.8344 -73.3702 -64.6278 180.0000 -99.7390 + -116.9117 -128.5048 -116.9294 -63.6042 + Initial conformation 222 + 92.2388 92.2388 90.3570 89.0899 88.6572 93.0319 94.8258 87.9664 + 89.9076 100.1805 109.0732 89.5374 91.8151 101.7839 92.2014 133.2247 + 121.5017 117.9501 114.2013 114.2013 + -180.0000 45.8488 55.1936 49.3961 48.2980 46.8430 59.6233 56.6787 + -87.3042 -127.4990 4.2610 66.1079 70.1396 -108.9488 103.8242 -122.5265 + -90.2854 -108.3282 180.0000 0.0000 + 156.5356 133.4876 164.7372 142.6011 138.4207 157.9894 141.3879 96.9021 + 145.2427 180.0000 180.0000 99.6480 101.6823 147.6957 180.0000 138.8533 + 118.9158 119.2827 119.8266 151.5920 + -12.8391 -134.1547 -179.8883 -66.3944 -118.7747 24.6548 -106.6321 -7.8719 + -47.6980 180.0000 180.0000 -106.2364 -65.4267 -106.1324 180.0000 -126.5788 + -127.0109 -129.5281 -119.8824 -64.4893 + Initial conformation 223 + 92.2388 92.2388 90.3570 89.0899 88.6572 93.0319 94.8258 87.9664 + 89.9076 100.1805 109.0732 89.5374 91.8151 101.7839 92.2014 133.2247 + 121.5017 117.9501 114.2013 114.2013 + -180.0000 45.8488 55.1936 49.3961 48.2980 46.8430 59.6233 56.6787 + -87.3042 -127.4990 4.2610 66.1079 70.1396 -108.9488 103.8242 -122.5265 + -90.2854 -108.3282 180.0000 0.0000 + 154.8156 152.2829 148.4037 156.0280 158.9855 110.9766 170.3169 135.8922 + 124.1084 180.0000 180.0000 102.8964 160.3768 154.6922 180.0000 126.3383 + 116.3078 126.5072 114.5425 127.5383 + -175.6929 -130.0927 162.1114 -81.6246 -36.8742 -22.4533 0.3931 -98.8337 + -82.3490 180.0000 180.0000 -108.1992 -105.7568 -41.1275 180.0000 -88.2252 + -120.2715 -132.9565 -114.4148 -84.7321 + Initial conformation 224 + 92.2388 92.2388 90.3570 89.0899 88.6572 93.0319 94.8258 87.9664 + 89.9076 100.1805 109.0732 89.5374 91.8151 101.7839 92.2014 133.2247 + 121.5017 117.9501 114.2013 114.2013 + -180.0000 45.8488 55.1936 49.3961 48.2980 46.8430 59.6233 56.6787 + -87.3042 -127.4990 4.2610 66.1079 70.1396 -108.9488 103.8242 -122.5265 + -90.2854 -108.3282 180.0000 0.0000 + 133.4499 150.9445 140.4258 129.1736 166.4912 139.6924 159.2291 167.2814 + 152.3463 180.0000 180.0000 96.5084 96.1838 144.5555 180.0000 158.2333 + 124.7985 123.2191 125.2011 145.9202 + -145.6848 -107.1240 4.0331 -77.1059 176.1660 126.9449 -135.5610 136.5639 + -127.8629 180.0000 180.0000 -131.0088 -61.6211 -32.9179 180.0000 -166.1047 + -127.2246 -134.2111 -129.5208 -100.1196 + Initial conformation 225 + 92.2388 92.2388 90.3570 89.0899 88.6572 93.0319 94.8258 87.9664 + 89.9076 100.1805 109.0732 89.5374 91.8151 101.7839 92.2014 133.2247 + 121.5017 117.9501 114.2013 114.2013 + -180.0000 45.8488 55.1936 49.3961 48.2980 46.8430 59.6233 56.6787 + -87.3042 -127.4990 4.2610 66.1079 70.1396 -108.9488 103.8242 -122.5265 + -90.2854 -108.3282 180.0000 0.0000 + 131.4521 151.5779 151.1321 161.4800 118.8914 166.7465 158.5487 159.8460 + 144.9336 180.0000 180.0000 92.1815 160.5727 157.7995 180.0000 164.3745 + 115.9470 116.2492 117.7867 150.2092 + -100.0973 -160.4564 5.9438 -69.3984 -123.5459 -151.6743 -158.4570 -52.3076 + -4.8099 180.0000 180.0000 -118.4691 -25.1796 -58.4900 180.0000 -124.5408 + -117.1248 -124.7856 -126.6055 -71.4685 + Initial conformation 226 + 92.2388 92.2388 90.3570 89.0899 88.6572 93.0319 94.8258 87.9664 + 89.9076 100.1805 109.0732 89.5374 91.8151 101.7839 92.2014 133.2247 + 121.5017 117.9501 114.2013 114.2013 + -180.0000 45.8488 55.1936 49.3961 48.2980 46.8430 59.6233 56.6787 + -87.3042 -127.4990 4.2610 66.1079 70.1396 -108.9488 103.8242 -122.5265 + -90.2854 -108.3282 180.0000 0.0000 + 145.2284 153.4898 134.2696 135.7707 154.0037 149.2251 154.6546 154.5165 + 134.4016 180.0000 180.0000 97.9216 108.2964 125.4109 180.0000 146.0244 + 119.4102 124.9270 122.5105 156.8280 + -108.1220 -123.7312 -14.4568 -83.0498 -94.9740 -177.7902 -23.5414 -174.1275 + -119.4686 180.0000 180.0000 -123.3287 -66.5735 -33.2053 180.0000 -140.6426 + -123.9983 -142.0254 -118.8981 -113.1313 + Initial conformation 227 + 92.2388 92.2388 90.3570 89.0899 88.6572 93.0319 94.8258 87.9664 + 89.9076 100.1805 109.0732 89.5374 91.8151 101.7839 92.2014 133.2247 + 121.5017 117.9501 114.2013 114.2013 + -180.0000 45.8488 55.1936 49.3961 48.2980 46.8430 59.6233 56.6787 + -87.3042 -127.4990 4.2610 66.1079 70.1396 -108.9488 103.8242 -122.5265 + -90.2854 -108.3282 180.0000 0.0000 + 157.1801 173.1470 155.7216 145.6350 144.7508 150.0061 154.0209 164.0038 + 148.2219 180.0000 180.0000 102.4657 101.8840 142.7172 180.0000 151.5791 + 114.7736 122.8942 116.6717 160.5287 + 8.5238 -131.4191 6.0798 -72.4363 -112.9589 3.0210 -30.5009 -110.5376 + -145.3171 180.0000 180.0000 -128.4500 -82.4942 -52.2570 180.0000 -167.9069 + -121.1492 -123.0840 -116.6095 -95.9180 + Initial conformation 228 + 92.2388 92.2388 90.3570 89.0899 88.6572 93.0319 94.8258 87.9664 + 89.9076 100.1805 109.0732 89.5374 91.8151 101.7839 92.2014 133.2247 + 121.5017 117.9501 114.2013 114.2013 + -180.0000 45.8488 55.1936 49.3961 48.2980 46.8430 59.6233 56.6787 + -87.3042 -127.4990 4.2610 66.1079 70.1396 -108.9488 103.8242 -122.5265 + -90.2854 -108.3282 180.0000 0.0000 + 145.9698 144.6059 157.1410 143.0695 130.6421 143.6642 157.5656 142.4079 + 136.5077 180.0000 180.0000 95.4961 110.6748 109.7136 180.0000 120.6956 + 124.6221 125.7755 118.6557 150.7068 + -133.3550 -108.4994 144.3208 -84.5186 -95.8752 158.2046 -19.3358 -124.0558 + -122.9620 180.0000 180.0000 -106.7985 -75.1556 -70.6387 180.0000 62.3477 + -126.7655 -134.4026 -127.8277 -96.6183 + Initial conformation 229 + 92.2388 92.2388 90.3570 89.0899 88.6572 93.0319 94.8258 87.9664 + 89.9076 100.1805 109.0732 89.5374 91.8151 101.7839 92.2014 133.2247 + 121.5017 117.9501 114.2013 114.2013 + -180.0000 45.8488 55.1936 49.3961 48.2980 46.8430 59.6233 56.6787 + -87.3042 -127.4990 4.2610 66.1079 70.1396 -108.9488 103.8242 -122.5265 + -90.2854 -108.3282 180.0000 0.0000 + 163.0420 143.8648 160.0460 160.9801 151.1175 143.3426 150.8655 156.4550 + 134.8846 180.0000 180.0000 96.5208 141.1748 154.4022 180.0000 111.1513 + 117.8924 122.8900 119.8805 143.4705 + 169.6638 -100.5683 137.8070 -99.6882 -159.0823 -4.3033 -45.5276 -166.5462 + -91.5841 180.0000 180.0000 -115.4665 -91.0342 -89.0232 180.0000 -39.6636 + -120.2894 -133.8084 -127.9213 -79.4539 + Initial conformation 230 + 92.2388 92.2388 90.3570 89.0899 88.6572 93.0319 94.8258 87.9664 + 89.9076 100.1805 109.0732 89.5374 91.8151 101.7839 92.2014 133.2247 + 121.5017 117.9501 114.2013 114.2013 + -180.0000 45.8488 55.1936 49.3961 48.2980 46.8430 59.6233 56.6787 + -87.3042 -127.4990 4.2610 66.1079 70.1396 -108.9488 103.8242 -122.5265 + -90.2854 -108.3282 180.0000 0.0000 + 160.5893 145.5051 153.1933 153.3617 163.5768 130.3108 152.8416 147.4307 + 113.1781 180.0000 180.0000 97.1387 155.3243 152.2569 180.0000 136.3715 + 126.2958 109.3902 125.8719 113.9291 + -17.3385 -36.4890 175.0169 -81.0288 -111.9601 -19.2771 -147.6135 -130.7093 + -77.1898 180.0000 180.0000 -102.6604 -73.2718 -19.8651 180.0000 -104.6601 + -141.2148 -118.3887 -129.7653 -60.3287 + Initial conformation 231 + 92.2388 92.2388 90.3570 89.0899 88.6572 93.0319 94.8258 87.9664 + 89.9076 100.1805 109.0732 89.5374 91.8151 101.7839 92.2014 133.2247 + 121.5017 117.9501 114.2013 114.2013 + -180.0000 45.8488 55.1936 49.3961 48.2980 46.8430 59.6233 56.6787 + -87.3042 -127.4990 4.2610 66.1079 70.1396 -108.9488 103.8242 -122.5265 + -90.2854 -108.3282 180.0000 0.0000 + 128.9715 150.9683 154.8457 138.2780 149.9271 136.6896 149.3898 146.0971 + 139.1519 180.0000 180.0000 103.2349 148.1688 95.8728 180.0000 120.6723 + 125.6810 123.9454 115.5054 139.5012 + -112.0269 -7.4837 131.6627 -104.6248 -138.1688 -159.5628 -162.2813 -127.4224 + -110.0784 180.0000 180.0000 -124.4558 -121.7372 -68.6351 180.0000 -130.9805 + -139.4807 -131.3660 -107.6898 -5.0218 + Initial conformation 232 + 92.2388 92.2388 90.3570 89.0899 88.6572 93.0319 94.8258 87.9664 + 89.9076 100.1805 109.0732 89.5374 91.8151 101.7839 92.2014 133.2247 + 121.5017 117.9501 114.2013 114.2013 + -180.0000 45.8488 55.1936 49.3961 48.2980 46.8430 59.6233 56.6787 + -87.3042 -127.4990 4.2610 66.1079 70.1396 -108.9488 103.8242 -122.5265 + -90.2854 -108.3282 180.0000 0.0000 + 153.1267 156.9916 137.9933 147.5388 124.4402 154.8605 160.5867 147.0841 + 141.9569 180.0000 180.0000 90.6004 126.8827 98.0265 180.0000 146.9511 + 113.1547 127.6823 104.1449 156.7687 + -8.5994 -17.7740 -149.1015 -83.1177 -80.2695 172.9061 -168.6549 8.4599 + -116.6054 180.0000 180.0000 -133.4648 -65.8339 -68.7449 180.0000 -136.4085 + -122.1921 -129.2248 -108.4560 -106.2715 + Initial conformation 233 + 92.2388 92.2388 90.3570 89.0899 88.6572 93.0319 94.8258 87.9664 + 89.9076 100.1805 109.0732 89.5374 91.8151 101.7839 92.2014 133.2247 + 121.5017 117.9501 114.2013 114.2013 + -180.0000 45.8488 55.1936 49.3961 48.2980 46.8430 59.6233 56.6787 + -87.3042 -127.4990 4.2610 66.1079 70.1396 -108.9488 103.8242 -122.5265 + -90.2854 -108.3282 180.0000 0.0000 + 143.4510 151.5235 138.2662 137.3789 146.8138 122.9502 146.9259 135.8911 + 141.6375 180.0000 180.0000 100.9708 114.0519 134.0676 180.0000 146.0173 + 117.6599 115.3545 122.2448 139.3274 + -166.2790 -101.9224 -13.1377 -102.4004 -111.3935 -3.1259 -146.6518 -128.9106 + -67.1118 180.0000 180.0000 -132.4710 -61.6803 -66.6426 180.0000 -148.0002 + -117.2669 -123.4662 -126.5307 -80.3798 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48.2980 46.8430 59.6233 56.6787 + -87.3042 -127.4990 4.2610 66.1079 70.1396 -108.9488 103.8242 -122.5265 + -90.2854 -108.3282 180.0000 0.0000 + 159.7117 169.7433 149.7923 137.9997 166.6065 149.5476 144.2005 156.5488 + 145.8895 180.0000 180.0000 95.1789 147.1016 146.3399 180.0000 160.0140 + 127.8545 114.1285 104.7751 139.5711 + 166.2049 -8.5349 179.0707 -84.6079 -141.3424 -166.3589 -143.0670 103.7526 + -135.0649 180.0000 180.0000 -142.1233 -95.1675 -86.3500 180.0000 128.4113 + -137.8343 -107.9536 -102.0309 -144.6735 + Initial conformation 236 + 92.2388 92.2388 90.3570 89.0899 88.6572 93.0319 94.8258 87.9664 + 89.9076 100.1805 109.0732 89.5374 91.8151 101.7839 92.2014 133.2247 + 121.5017 117.9501 114.2013 114.2013 + -180.0000 45.8488 55.1936 49.3961 48.2980 46.8430 59.6233 56.6787 + -87.3042 -127.4990 4.2610 66.1079 70.1396 -108.9488 103.8242 -122.5265 + -90.2854 -108.3282 180.0000 0.0000 + 136.6395 175.4356 153.9638 144.5292 165.6900 138.3036 164.5790 139.3357 + 145.1511 180.0000 180.0000 101.9695 144.1144 152.4826 180.0000 164.9653 + 110.8198 122.4692 126.5399 90.2436 + -21.3640 163.3121 158.0411 -90.6803 -128.9087 10.3655 -19.0216 -112.0533 + -114.4956 180.0000 180.0000 -89.2709 -102.9906 -125.5420 180.0000 -71.3114 + -119.4479 -126.2486 -129.5417 -71.1161 + Initial conformation 237 + 92.2388 92.2388 90.3570 89.0899 88.6572 93.0319 94.8258 87.9664 + 89.9076 100.1805 109.0732 89.5374 91.8151 101.7839 92.2014 133.2247 + 121.5017 117.9501 114.2013 114.2013 + -180.0000 45.8488 55.1936 49.3961 48.2980 46.8430 59.6233 56.6787 + -87.3042 -127.4990 4.2610 66.1079 70.1396 -108.9488 103.8242 -122.5265 + -90.2854 -108.3282 180.0000 0.0000 + 155.5766 161.9993 132.4747 136.7913 148.1993 107.3142 163.5433 152.8255 + 134.3477 180.0000 180.0000 100.0455 108.2907 146.6850 180.0000 135.4039 + 126.8933 126.7740 123.4632 150.2253 + 7.2425 -19.2471 -16.8742 -84.5391 -86.0640 -73.8636 -144.6520 -138.0069 + -145.6668 180.0000 180.0000 -96.3239 -67.1772 -113.9106 180.0000 -114.3413 + -138.4096 -134.8080 -125.7319 -127.1991 + Initial conformation 238 + 92.2388 92.2388 90.3570 89.0899 88.6572 93.0319 94.8258 87.9664 + 89.9076 100.1805 109.0732 89.5374 91.8151 101.7839 92.2014 133.2247 + 121.5017 117.9501 114.2013 114.2013 + -180.0000 45.8488 55.1936 49.3961 48.2980 46.8430 59.6233 56.6787 + -87.3042 -127.4990 4.2610 66.1079 70.1396 -108.9488 103.8242 -122.5265 + -90.2854 -108.3282 180.0000 0.0000 + 130.6108 154.4416 142.5384 144.5671 147.6573 149.6614 141.7344 155.7267 + 134.5403 180.0000 180.0000 96.0816 135.7475 88.7058 180.0000 154.6167 + 121.3061 117.0684 130.1422 149.3664 + -128.0136 -29.0094 -158.3221 -62.7853 -156.6775 15.9132 -135.3152 -85.0120 + -126.3461 180.0000 180.0000 -111.8254 -56.4450 -70.6024 180.0000 -64.8911 + -127.3252 -127.0651 -134.3284 -104.9747 + Initial conformation 239 + 92.2388 92.2388 90.3570 89.0899 88.6572 93.0319 94.8258 87.9664 + 89.9076 100.1805 109.0732 89.5374 91.8151 101.7839 92.2014 133.2247 + 121.5017 117.9501 114.2013 114.2013 + -180.0000 45.8488 55.1936 49.3961 48.2980 46.8430 59.6233 56.6787 + -87.3042 -127.4990 4.2610 66.1079 70.1396 -108.9488 103.8242 -122.5265 + -90.2854 -108.3282 180.0000 0.0000 + 136.3374 133.9216 141.8980 134.4141 135.0284 139.4071 161.7868 161.8886 + 142.4292 180.0000 180.0000 100.6165 153.1858 98.5502 180.0000 101.7616 + 122.9596 119.2524 119.3443 98.4165 + -175.5485 -118.2094 -4.0293 -77.1337 -91.9700 11.9390 -158.7380 -165.7316 + -135.1164 180.0000 180.0000 -114.8142 169.8642 -65.2967 180.0000 -116.7815 + -135.3876 -121.0085 -127.2677 -57.2090 + Initial conformation 240 + 92.2388 92.2388 90.3570 89.0899 88.6572 93.0319 94.8258 87.9664 + 89.9076 100.1805 109.0732 89.5374 91.8151 101.7839 92.2014 133.2247 + 121.5017 117.9501 114.2013 114.2013 + -180.0000 45.8488 55.1936 49.3961 48.2980 46.8430 59.6233 56.6787 + -87.3042 -127.4990 4.2610 66.1079 70.1396 -108.9488 103.8242 -122.5265 + -90.2854 -108.3282 180.0000 0.0000 + 143.4481 169.6960 138.2247 148.7952 160.3401 148.5379 148.4979 130.0443 + 141.8108 180.0000 180.0000 109.4366 109.4678 98.7674 180.0000 119.6335 + 126.7836 115.3027 120.4692 92.9446 + -128.9726 0.7745 -157.1839 -79.9517 135.8043 158.9111 -105.2176 -96.1456 + -105.6530 180.0000 180.0000 -127.3452 -60.9155 -69.2944 180.0000 -14.7776 + -137.3136 -115.6361 -111.0361 -72.0796 + Initial conformation 241 + 92.2388 92.2388 90.3570 89.0899 88.6572 93.0319 94.8258 87.9664 + 89.9076 100.1805 109.0732 89.5374 91.8151 101.7839 92.2014 133.2247 + 121.5017 117.9501 114.2013 114.2013 + -180.0000 45.8488 55.1936 49.3961 48.2980 46.8430 59.6233 56.6787 + -87.3042 -127.4990 4.2610 66.1079 70.1396 -108.9488 103.8242 -122.5265 + -90.2854 -108.3282 180.0000 0.0000 + 157.9412 175.4342 115.4093 131.6567 150.2242 125.6516 170.2020 139.4552 + 150.6750 180.0000 180.0000 96.9407 109.3705 135.5732 180.0000 141.6883 + 117.3753 118.3793 124.0545 99.1334 + -26.9504 -6.1469 -24.3519 -93.0230 83.5894 -56.0899 157.8994 -53.8885 + -122.7886 180.0000 180.0000 -112.2846 -67.9087 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117.9501 114.2013 114.2013 + -180.0000 45.8488 55.1936 49.3961 48.2980 46.8430 59.6233 56.6787 + -87.3042 -127.4990 4.2610 66.1079 70.1396 -108.9488 103.8242 -122.5265 + -90.2854 -108.3282 180.0000 0.0000 + 161.8417 152.6041 139.5892 143.5820 119.5833 134.4618 140.3170 121.7191 + 132.2602 180.0000 180.0000 99.0306 95.4883 146.6459 180.0000 122.0515 + 115.1176 109.3966 113.7176 127.5861 + -141.3162 170.0771 172.5914 -70.9414 -95.2124 -37.9724 -93.7552 -104.4907 + -26.7306 180.0000 180.0000 -103.0594 -61.5843 -115.9276 180.0000 -51.8401 + -124.3768 -113.5144 -115.7488 -77.8886 + Initial conformation 244 + 92.2388 92.2388 90.3570 89.0899 88.6572 93.0319 94.8258 87.9664 + 89.9076 100.1805 109.0732 89.5374 91.8151 101.7839 92.2014 133.2247 + 121.5017 117.9501 114.2013 114.2013 + -180.0000 45.8488 55.1936 49.3961 48.2980 46.8430 59.6233 56.6787 + -87.3042 -127.4990 4.2610 66.1079 70.1396 -108.9488 103.8242 -122.5265 + -90.2854 -108.3282 180.0000 0.0000 + 150.4312 141.0429 163.7864 133.5516 148.2813 114.2724 158.2871 174.6768 + 112.9109 180.0000 180.0000 104.3207 113.5379 143.6431 180.0000 153.2104 + 120.3297 121.1772 122.9445 136.8789 + -153.5517 -81.4478 149.8266 -86.5617 -157.1609 -95.1800 14.2546 -148.8120 + -79.6919 180.0000 180.0000 -119.6491 -76.8465 -124.8263 180.0000 151.8009 + -129.1686 -124.5252 -121.9466 -18.2614 + Initial conformation 245 + 92.2388 92.2388 90.3570 89.0899 88.6572 93.0319 94.8258 87.9664 + 89.9076 100.1805 109.0732 89.5374 91.8151 101.7839 92.2014 133.2247 + 121.5017 117.9501 114.2013 114.2013 + -180.0000 45.8488 55.1936 49.3961 48.2980 46.8430 59.6233 56.6787 + -87.3042 -127.4990 4.2610 66.1079 70.1396 -108.9488 103.8242 -122.5265 + -90.2854 -108.3282 180.0000 0.0000 + 153.4373 155.6103 140.2396 148.0413 135.1234 134.0678 178.8269 168.5640 + 126.1716 180.0000 180.0000 96.5370 167.9052 144.7390 180.0000 166.7217 + 121.9482 117.3653 117.7467 111.8474 + -140.7153 -153.0037 155.2524 -80.2092 -134.7130 -9.2283 153.2654 -128.6848 + -85.8599 180.0000 180.0000 -120.8659 -12.1242 -110.7500 180.0000 -47.9249 + -123.1608 -121.6736 -120.1199 -68.9558 + Initial conformation 246 + 92.2388 92.2388 90.3570 89.0899 88.6572 93.0319 94.8258 87.9664 + 89.9076 100.1805 109.0732 89.5374 91.8151 101.7839 92.2014 133.2247 + 121.5017 117.9501 114.2013 114.2013 + -180.0000 45.8488 55.1936 49.3961 48.2980 46.8430 59.6233 56.6787 + -87.3042 -127.4990 4.2610 66.1079 70.1396 -108.9488 103.8242 -122.5265 + -90.2854 -108.3282 180.0000 0.0000 + 115.8954 157.0078 140.1508 147.3992 141.6153 131.1015 148.5658 126.3212 + 150.7743 180.0000 180.0000 98.2178 156.7459 106.8856 180.0000 153.5293 + 122.0481 124.0091 129.6005 153.6968 + -87.8787 -132.8782 -19.7316 -98.5694 -56.2003 20.4938 -47.5269 -103.8817 + -104.1808 180.0000 180.0000 -112.8132 -73.9674 -73.2545 180.0000 -130.2367 + -136.5446 -127.4424 -138.3373 -65.5461 + Initial conformation 247 + 92.2388 92.2388 90.3570 89.0899 88.6572 93.0319 94.8258 87.9664 + 89.9076 100.1805 109.0732 89.5374 91.8151 101.7839 92.2014 133.2247 + 121.5017 117.9501 114.2013 114.2013 + -180.0000 45.8488 55.1936 49.3961 48.2980 46.8430 59.6233 56.6787 + -87.3042 -127.4990 4.2610 66.1079 70.1396 -108.9488 103.8242 -122.5265 + -90.2854 -108.3282 180.0000 0.0000 + 150.2667 157.0788 132.2369 137.6164 156.3381 150.0323 155.6372 128.5520 + 138.7956 180.0000 180.0000 100.0551 156.8691 107.5849 180.0000 148.9035 + 101.0741 115.5722 122.9738 103.3252 + -113.5836 -78.9571 4.2400 -100.9438 -144.4835 -138.4946 -123.3905 -46.2036 + -111.8208 180.0000 180.0000 -131.6708 -105.9998 -60.8575 180.0000 -163.2654 + -102.0130 -120.9686 -125.3123 -75.4850 + Initial conformation 248 + 92.2388 92.2388 90.3570 89.0899 88.6572 93.0319 94.8258 87.9664 + 89.9076 100.1805 109.0732 89.5374 91.8151 101.7839 92.2014 133.2247 + 121.5017 117.9501 114.2013 114.2013 + -180.0000 45.8488 55.1936 49.3961 48.2980 46.8430 59.6233 56.6787 + -87.3042 -127.4990 4.2610 66.1079 70.1396 -108.9488 103.8242 -122.5265 + -90.2854 -108.3282 180.0000 0.0000 + 142.5789 155.2823 141.5315 149.4588 165.9997 106.7072 158.9347 137.2943 + 118.0872 180.0000 180.0000 97.5158 144.4131 163.2340 180.0000 128.3444 + 126.7899 119.8765 121.6293 105.6663 + -140.5208 -3.7501 -25.6885 -86.3836 -154.6351 -67.6669 -145.7917 -113.6004 + -95.3605 180.0000 180.0000 -109.7307 -34.8775 -50.2461 180.0000 -139.6256 + -141.0994 -125.4731 -125.4033 -66.5131 + Initial conformation 249 + 92.2388 92.2388 90.3570 89.0899 88.6572 93.0319 94.8258 87.9664 + 89.9076 100.1805 109.0732 89.5374 91.8151 101.7839 92.2014 133.2247 + 121.5017 117.9501 114.2013 114.2013 + -180.0000 45.8488 55.1936 49.3961 48.2980 46.8430 59.6233 56.6787 + -87.3042 -127.4990 4.2610 66.1079 70.1396 -108.9488 103.8242 -122.5265 + -90.2854 -108.3282 180.0000 0.0000 + 143.7485 147.6475 148.5807 145.7332 121.7188 161.5283 150.8177 137.2865 + 145.9334 180.0000 180.0000 93.3393 152.6025 170.5676 180.0000 135.9354 + 121.8026 125.7040 127.2592 138.9471 + -30.9450 -143.7722 -169.6477 -76.5312 -87.4195 -17.5372 -166.5793 -45.4528 + -120.3932 180.0000 180.0000 -85.5773 -112.8564 -141.7318 180.0000 -93.1423 + -129.3637 -132.0867 -132.5312 -52.4098 + Initial conformation 250 + 92.2388 92.2388 90.3570 89.0899 88.6572 93.0319 94.8258 87.9664 + 89.9076 100.1805 109.0732 89.5374 91.8151 101.7839 92.2014 133.2247 + 121.5017 117.9501 114.2013 114.2013 + -180.0000 45.8488 55.1936 49.3961 48.2980 46.8430 59.6233 56.6787 + -87.3042 -127.4990 4.2610 66.1079 70.1396 -108.9488 103.8242 -122.5265 + -90.2854 -108.3282 180.0000 0.0000 + 151.5722 149.2576 139.6768 140.0520 148.0728 138.8632 164.6541 129.8742 + 155.1505 180.0000 180.0000 102.8742 106.0215 128.8234 180.0000 157.0558 + 136.9703 124.8414 116.1353 95.4119 + -160.3710 -150.7491 -3.3043 -95.9719 -137.5382 7.8105 -150.1334 -51.8915 + -2.4071 180.0000 180.0000 -109.8475 -73.7074 -44.9587 180.0000 165.2249 + -155.1300 -126.4531 -112.0153 -75.6793 + Initial conformation 251 + 92.2388 92.2388 90.3570 89.0899 88.6572 93.0319 94.8258 87.9664 + 89.9076 100.1805 109.0732 89.5374 91.8151 101.7839 92.2014 133.2247 + 121.5017 117.9501 114.2013 114.2013 + -180.0000 45.8488 55.1936 49.3961 48.2980 46.8430 59.6233 56.6787 + -87.3042 -127.4990 4.2610 66.1079 70.1396 -108.9488 103.8242 -122.5265 + -90.2854 -108.3282 180.0000 0.0000 + 159.2164 166.0192 147.7435 144.5054 135.3715 128.3429 156.2720 121.9912 + 111.7221 180.0000 180.0000 123.5317 150.9994 168.5018 180.0000 134.3065 + 125.7046 126.2356 120.2819 137.1347 + 0.1173 -139.4473 176.4620 -88.0270 5.3917 -33.9525 -90.1518 -86.9455 + -91.7492 180.0000 180.0000 -118.2951 -118.3749 -66.0939 180.0000 -39.4478 + -132.8621 -134.2901 -133.4530 -83.5575 + Initial conformation 252 + 92.2388 92.2388 90.3570 89.0899 88.6572 93.0319 94.8258 87.9664 + 89.9076 100.1805 109.0732 89.5374 91.8151 101.7839 92.2014 133.2247 + 121.5017 117.9501 114.2013 114.2013 + -180.0000 45.8488 55.1936 49.3961 48.2980 46.8430 59.6233 56.6787 + -87.3042 -127.4990 4.2610 66.1079 70.1396 -108.9488 103.8242 -122.5265 + -90.2854 -108.3282 180.0000 0.0000 + 142.4660 156.0193 151.5401 142.3237 143.5948 151.7302 164.1320 135.7927 + 138.1599 180.0000 180.0000 89.6888 101.7521 141.5937 180.0000 125.5985 + 120.8360 120.0412 131.9426 112.2397 + -50.0735 -141.5255 13.6830 -63.1746 -139.6183 27.1947 -23.1863 -75.3204 + -92.7019 180.0000 180.0000 -118.8079 -74.9930 -121.1819 180.0000 -21.6106 + -127.2580 -128.3424 -140.6818 -58.9886 + Initial conformation 253 + 92.2388 92.2388 90.3570 89.0899 88.6572 93.0319 94.8258 87.9664 + 89.9076 100.1805 109.0732 89.5374 91.8151 101.7839 92.2014 133.2247 + 121.5017 117.9501 114.2013 114.2013 + -180.0000 45.8488 55.1936 49.3961 48.2980 46.8430 59.6233 56.6787 + -87.3042 -127.4990 4.2610 66.1079 70.1396 -108.9488 103.8242 -122.5265 + -90.2854 -108.3282 180.0000 0.0000 + 116.7519 145.6414 145.4619 137.0081 151.5766 148.8893 172.4992 148.2836 + 139.9818 180.0000 180.0000 100.7377 157.2853 166.3076 180.0000 125.5237 + 121.3390 121.9871 114.6226 145.8483 + -96.4158 -111.1107 -167.4603 -93.8244 178.7779 -148.7052 -122.8898 -115.1532 + -97.6870 180.0000 180.0000 -90.8561 -100.7488 -9.1581 180.0000 -134.6101 + -130.2164 -134.7880 -119.3589 -72.3726 + Initial conformation 254 + 92.2388 92.2388 90.3570 89.0899 88.6572 93.0319 94.8258 87.9664 + 89.9076 100.1805 109.0732 89.5374 91.8151 101.7839 92.2014 133.2247 + 121.5017 117.9501 114.2013 114.2013 + -180.0000 45.8488 55.1936 49.3961 48.2980 46.8430 59.6233 56.6787 + -87.3042 -127.4990 4.2610 66.1079 70.1396 -108.9488 103.8242 -122.5265 + -90.2854 -108.3282 180.0000 0.0000 + 143.5569 155.0295 146.3854 148.5495 159.1907 152.5596 155.1755 145.6964 + 141.4035 180.0000 180.0000 100.8748 152.1716 106.4933 180.0000 116.8404 + 119.2726 124.1710 108.9538 104.4008 + -129.2564 -13.5732 3.4762 -94.6566 125.9035 -143.1337 -96.6834 -35.0351 + -115.3669 180.0000 180.0000 -117.3447 -94.5653 -70.2156 180.0000 -94.6000 + -119.7401 -122.0080 -105.5904 -70.9351 + Initial conformation 255 + 92.2388 92.2388 90.3570 89.0899 88.6572 93.0319 94.8258 87.9664 + 89.9076 100.1805 109.0732 89.5374 91.8151 101.7839 92.2014 133.2247 + 121.5017 117.9501 114.2013 114.2013 + -180.0000 45.8488 55.1936 49.3961 48.2980 46.8430 59.6233 56.6787 + -87.3042 -127.4990 4.2610 66.1079 70.1396 -108.9488 103.8242 -122.5265 + -90.2854 -108.3282 180.0000 0.0000 + 164.4592 160.4267 121.8434 152.3647 129.8620 153.6803 154.1812 149.4298 + 140.7454 180.0000 180.0000 94.5339 97.3128 102.3436 180.0000 136.0255 + 123.6889 128.0446 112.6330 159.5280 + -161.9969 -93.0844 -23.5023 -93.0806 -166.1358 159.8041 -30.7433 -65.8588 + -75.0510 180.0000 180.0000 -132.1801 -69.9333 -68.9811 180.0000 20.9579 + -136.9737 -137.9840 -112.5863 -115.1076 + Initial conformation 256 + 92.2388 92.2388 90.3570 89.0899 88.6572 93.0319 94.8258 87.9664 + 89.9076 100.1805 109.0732 89.5374 91.8151 101.7839 92.2014 133.2247 + 121.5017 117.9501 114.2013 114.2013 + -180.0000 45.8488 55.1936 49.3961 48.2980 46.8430 59.6233 56.6787 + -87.3042 -127.4990 4.2610 66.1079 70.1396 -108.9488 103.8242 -122.5265 + -90.2854 -108.3282 180.0000 0.0000 + 159.3706 153.6355 126.3021 140.3787 135.1611 155.0304 157.9966 119.3863 + 144.1585 180.0000 180.0000 96.1377 149.4996 156.2500 180.0000 136.8898 + 118.6708 123.5942 128.6508 111.4833 + 11.9581 -31.8365 -20.7936 -102.2256 -69.6378 -160.3179 -27.5612 -71.3759 + -24.2150 180.0000 180.0000 -99.4070 -68.0347 -80.9405 180.0000 36.2938 + -126.1829 -131.0376 -136.0165 -46.9774 + Initial conformation 257 + 92.2388 92.2388 90.3570 89.0899 88.6572 93.0319 94.8258 87.9664 + 89.9076 100.1805 109.0732 89.5374 91.8151 101.7839 92.2014 133.2247 + 121.5017 117.9501 114.2013 114.2013 + -180.0000 45.8488 55.1936 49.3961 48.2980 46.8430 59.6233 56.6787 + -87.3042 -127.4990 4.2610 66.1079 70.1396 -108.9488 103.8242 -122.5265 + -90.2854 -108.3282 180.0000 0.0000 + 143.8012 168.5874 130.5201 141.7720 124.1862 150.1616 155.0017 162.2988 + 125.6018 180.0000 180.0000 103.6436 156.9469 126.1879 180.0000 138.7637 + 123.5694 127.0619 113.0567 91.2158 + -151.2170 -146.3053 -15.6160 -80.5590 -92.6008 -142.1446 -12.7529 -177.5387 + -110.6579 180.0000 180.0000 -120.3618 -45.9670 -75.3641 180.0000 -52.8583 + -128.5869 -136.7716 -109.3136 -72.8178 + Initial conformation 258 + 92.2388 92.2388 90.3570 89.0899 88.6572 93.0319 94.8258 87.9664 + 89.9076 100.1805 109.0732 89.5374 91.8151 101.7839 92.2014 133.2247 + 121.5017 117.9501 114.2013 114.2013 + -180.0000 45.8488 55.1936 49.3961 48.2980 46.8430 59.6233 56.6787 + -87.3042 -127.4990 4.2610 66.1079 70.1396 -108.9488 103.8242 -122.5265 + -90.2854 -108.3282 180.0000 0.0000 + 141.1303 163.6861 150.3278 163.1340 128.9850 134.9322 163.2561 154.6530 + 137.9001 180.0000 180.0000 101.8203 154.6548 118.0278 180.0000 159.6639 + 130.2521 118.8920 113.4680 154.3741 + -140.5689 -12.1406 -155.2310 -82.2923 -126.6039 -33.0321 -19.2822 -159.6748 + -141.2716 180.0000 180.0000 -94.4272 -78.6712 -65.2465 180.0000 145.5262 + -149.3415 -130.7033 -121.8966 -80.1213 + Initial conformation 259 + 92.2388 92.2388 90.3570 89.0899 88.6572 93.0319 94.8258 87.9664 + 89.9076 100.1805 109.0732 89.5374 91.8151 101.7839 92.2014 133.2247 + 121.5017 117.9501 114.2013 114.2013 + -180.0000 45.8488 55.1936 49.3961 48.2980 46.8430 59.6233 56.6787 + -87.3042 -127.4990 4.2610 66.1079 70.1396 -108.9488 103.8242 -122.5265 + -90.2854 -108.3282 180.0000 0.0000 + 154.7950 139.7048 138.5829 167.5601 125.3430 146.3030 144.7088 140.3880 + 157.0540 180.0000 180.0000 99.5439 117.1623 156.5223 180.0000 133.6921 + 132.0487 115.3849 123.6297 102.5673 + -138.8130 -153.0344 -159.2228 -116.3200 -50.5068 -5.0963 -56.6477 73.5138 + -1.7264 180.0000 180.0000 -119.9366 -71.0740 -64.9959 180.0000 -54.6447 + -137.4095 -122.4615 -129.0197 -64.7136 + Initial conformation 260 + 92.2388 92.2388 90.3570 89.0899 88.6572 93.0319 94.8258 87.9664 + 89.9076 100.1805 109.0732 89.5374 91.8151 101.7839 92.2014 133.2247 + 121.5017 117.9501 114.2013 114.2013 + -180.0000 45.8488 55.1936 49.3961 48.2980 46.8430 59.6233 56.6787 + -87.3042 -127.4990 4.2610 66.1079 70.1396 -108.9488 103.8242 -122.5265 + -90.2854 -108.3282 180.0000 0.0000 + 162.3664 153.3286 148.3512 144.9458 126.4919 138.8676 153.9493 133.2401 + 160.6649 180.0000 180.0000 105.6166 131.9416 93.8918 180.0000 168.6616 + 117.3276 117.3376 116.0922 128.9284 + -149.2728 -15.2249 -24.5227 -95.8952 -130.1640 -16.7944 -159.6351 -38.1392 + -95.3357 180.0000 180.0000 -97.6835 -74.5336 -62.7767 180.0000 130.1109 + -122.7875 -126.4300 -119.2233 -106.9482 + Initial conformation 261 + 92.2388 92.2388 90.3570 89.0899 88.6572 93.0319 94.8258 87.9664 + 89.9076 100.1805 109.0732 89.5374 91.8151 101.7839 92.2014 133.2247 + 121.5017 117.9501 114.2013 114.2013 + -180.0000 45.8488 55.1936 49.3961 48.2980 46.8430 59.6233 56.6787 + -87.3042 -127.4990 4.2610 66.1079 70.1396 -108.9488 103.8242 -122.5265 + -90.2854 -108.3282 180.0000 0.0000 + 108.7441 151.8240 126.4076 138.1772 134.3215 150.5790 159.8881 135.6753 + 136.6116 180.0000 180.0000 104.0929 105.3059 101.0280 180.0000 139.9804 + 117.6785 123.2418 112.4959 107.8778 + -86.3629 -130.9253 -105.4351 -84.0994 -95.3318 14.1803 -135.7094 -134.8158 + -142.6515 180.0000 180.0000 -125.7500 -73.2829 -62.0482 180.0000 -78.4050 + -126.7603 -127.5398 -114.3658 -70.6781 + Initial conformation 262 + 92.2388 92.2388 90.3570 89.0899 88.6572 93.0319 94.8258 87.9664 + 89.9076 100.1805 109.0732 89.5374 91.8151 101.7839 92.2014 133.2247 + 121.5017 117.9501 114.2013 114.2013 + -180.0000 45.8488 55.1936 49.3961 48.2980 46.8430 59.6233 56.6787 + -87.3042 -127.4990 4.2610 66.1079 70.1396 -108.9488 103.8242 -122.5265 + -90.2854 -108.3282 180.0000 0.0000 + 153.4834 161.6991 128.9820 150.5413 127.1634 148.8522 145.9786 139.4956 + 131.0053 180.0000 180.0000 88.4505 170.0866 169.7069 180.0000 112.4752 + 122.1270 113.4612 117.8228 139.8527 + 13.2183 -19.1160 -27.7411 -99.9862 -76.9257 2.8289 -139.5537 -131.7913 + -78.7668 180.0000 180.0000 -92.4347 -59.4334 -94.1023 180.0000 53.6257 + -127.1643 -125.9190 -123.2551 -50.7953 + Initial conformation 263 + 92.2388 92.2388 90.3570 89.0899 88.6572 93.0319 94.8258 87.9664 + 89.9076 100.1805 109.0732 89.5374 91.8151 101.7839 92.2014 133.2247 + 121.5017 117.9501 114.2013 114.2013 + -180.0000 45.8488 55.1936 49.3961 48.2980 46.8430 59.6233 56.6787 + -87.3042 -127.4990 4.2610 66.1079 70.1396 -108.9488 103.8242 -122.5265 + -90.2854 -108.3282 180.0000 0.0000 + 154.3532 176.7229 157.2193 143.0834 138.6412 154.8057 158.0657 128.6988 + 152.0680 180.0000 180.0000 100.5813 102.8598 141.6002 180.0000 140.2481 + 115.2082 122.0197 123.1418 152.4936 + 6.3485 -178.9722 168.4823 -77.3587 -67.0662 -170.5063 -30.8876 -86.2484 + -121.9014 180.0000 180.0000 -93.5765 -66.6243 -49.9272 180.0000 4.2478 + -114.5102 -126.1525 -130.1789 -48.5214 + Initial conformation 264 + 92.2388 92.2388 90.3570 89.0899 88.6572 93.0319 94.8258 87.9664 + 89.9076 100.1805 109.0732 89.5374 91.8151 101.7839 92.2014 133.2247 + 121.5017 117.9501 114.2013 114.2013 + -180.0000 45.8488 55.1936 49.3961 48.2980 46.8430 59.6233 56.6787 + -87.3042 -127.4990 4.2610 66.1079 70.1396 -108.9488 103.8242 -122.5265 + -90.2854 -108.3282 180.0000 0.0000 + 158.3097 164.7943 140.2785 161.4876 156.5468 178.3696 147.7718 141.2533 + 133.8494 180.0000 180.0000 105.3315 162.1497 108.7467 180.0000 136.4468 + 118.0738 109.5957 122.3494 163.8369 + -41.2834 9.6373 -156.7735 -78.0738 -166.8514 162.0490 -1.8130 -84.0603 + -102.8791 180.0000 180.0000 -114.3697 -61.6898 -72.0354 180.0000 -117.8986 + -125.9972 -107.9357 -132.3254 -74.2724 + Initial conformation 265 + 92.2388 92.2388 90.3570 89.0899 88.6572 93.0319 94.8258 87.9664 + 89.9076 100.1805 109.0732 89.5374 91.8151 101.7839 92.2014 133.2247 + 121.5017 117.9501 114.2013 114.2013 + -180.0000 45.8488 55.1936 49.3961 48.2980 46.8430 59.6233 56.6787 + -87.3042 -127.4990 4.2610 66.1079 70.1396 -108.9488 103.8242 -122.5265 + -90.2854 -108.3282 180.0000 0.0000 + 151.5544 147.2957 121.2934 147.0986 140.9726 147.6852 175.0664 146.0056 + 144.1393 180.0000 180.0000 93.7160 154.0268 103.8907 180.0000 151.1308 + 111.2278 122.6536 121.7016 129.9174 + -3.6597 -155.6979 -4.3282 -76.1043 -121.6313 179.0003 -141.6646 -113.2499 + -127.9570 180.0000 180.0000 -90.3680 -59.3199 -70.8875 180.0000 174.4444 + -112.4334 -126.7119 -129.9662 -65.0220 + Initial conformation 266 + 92.2388 92.2388 90.3570 89.0899 88.6572 93.0319 94.8258 87.9664 + 89.9076 100.1805 109.0732 89.5374 91.8151 101.7839 92.2014 133.2247 + 121.5017 117.9501 114.2013 114.2013 + -180.0000 45.8488 55.1936 49.3961 48.2980 46.8430 59.6233 56.6787 + -87.3042 -127.4990 4.2610 66.1079 70.1396 -108.9488 103.8242 -122.5265 + -90.2854 -108.3282 180.0000 0.0000 + 153.7911 169.4993 138.2274 145.6438 106.0411 126.8090 157.4519 148.0479 + 146.2869 180.0000 180.0000 96.8339 114.5427 148.2662 180.0000 116.7740 + 134.6377 124.2422 121.0135 138.3393 + 18.3091 -106.1469 -3.5362 -130.9611 -100.7942 -17.3185 -127.1835 -107.1762 + -99.1311 180.0000 180.0000 -121.2721 -77.5566 -66.7499 180.0000 -34.9764 + -142.7032 -133.0981 -126.0735 -83.4017 + Initial conformation 267 + 92.2388 92.2388 90.3570 89.0899 88.6572 93.0319 94.8258 87.9664 + 89.9076 100.1805 109.0732 89.5374 91.8151 101.7839 92.2014 133.2247 + 121.5017 117.9501 114.2013 114.2013 + -180.0000 45.8488 55.1936 49.3961 48.2980 46.8430 59.6233 56.6787 + -87.3042 -127.4990 4.2610 66.1079 70.1396 -108.9488 103.8242 -122.5265 + -90.2854 -108.3282 180.0000 0.0000 + 157.3744 166.5737 144.3049 142.3079 115.6156 117.6230 156.0698 131.3951 + 141.5899 180.0000 180.0000 109.7825 165.0351 147.4473 180.0000 164.2725 + 118.9242 123.9994 116.8623 155.8389 + -157.9333 -0.7618 13.8060 -77.7595 -51.2707 -114.1911 -106.8090 -143.1003 + -128.6899 180.0000 180.0000 -126.0530 -80.1243 -81.6999 180.0000 142.7953 + -123.7690 -127.7991 -119.8299 -84.6276 + Initial conformation 268 + 92.2388 92.2388 90.3570 89.0899 88.6572 93.0319 94.8258 87.9664 + 89.9076 100.1805 109.0732 89.5374 91.8151 101.7839 92.2014 133.2247 + 121.5017 117.9501 114.2013 114.2013 + -180.0000 45.8488 55.1936 49.3961 48.2980 46.8430 59.6233 56.6787 + -87.3042 -127.4990 4.2610 66.1079 70.1396 -108.9488 103.8242 -122.5265 + -90.2854 -108.3282 180.0000 0.0000 + 157.1756 164.3855 131.1474 146.2523 116.9177 131.6824 157.0303 154.2534 + 150.2995 180.0000 180.0000 101.5406 122.7167 137.9412 180.0000 99.2273 + 125.4381 114.2982 123.7406 99.3747 + -15.0121 -19.5902 153.7894 -76.5825 -81.5532 -4.1855 -138.7524 -114.9309 + -111.4380 180.0000 180.0000 -103.4009 -73.9277 -88.4980 180.0000 -142.9112 + -132.3608 -125.1734 -124.2515 -62.2468 + Initial conformation 269 + 92.2388 92.2388 90.3570 89.0899 88.6572 93.0319 94.8258 87.9664 + 89.9076 100.1805 109.0732 89.5374 91.8151 101.7839 92.2014 133.2247 + 121.5017 117.9501 114.2013 114.2013 + -180.0000 45.8488 55.1936 49.3961 48.2980 46.8430 59.6233 56.6787 + -87.3042 -127.4990 4.2610 66.1079 70.1396 -108.9488 103.8242 -122.5265 + -90.2854 -108.3282 180.0000 0.0000 + 129.2136 141.2316 137.1727 146.6758 135.4731 147.8855 142.2805 179.4279 + 148.8311 180.0000 180.0000 103.4078 107.3448 160.6599 180.0000 116.5729 + 130.1852 119.2873 117.6555 143.8907 + -86.0967 -83.1573 -10.2589 -103.9202 -53.7110 -24.3548 -110.8179 -115.4705 + 4.1928 180.0000 180.0000 -123.7694 -72.6664 -76.5312 180.0000 21.9168 + -135.4495 -119.6872 -116.9713 -86.8910 + Initial conformation 270 + 92.2388 92.2388 90.3570 89.0899 88.6572 93.0319 94.8258 87.9664 + 89.9076 100.1805 109.0732 89.5374 91.8151 101.7839 92.2014 133.2247 + 121.5017 117.9501 114.2013 114.2013 + -180.0000 45.8488 55.1936 49.3961 48.2980 46.8430 59.6233 56.6787 + -87.3042 -127.4990 4.2610 66.1079 70.1396 -108.9488 103.8242 -122.5265 + -90.2854 -108.3282 180.0000 0.0000 + 137.4859 161.1608 145.5100 141.4815 137.3984 112.2395 175.6283 128.6941 + 132.7166 180.0000 180.0000 94.2365 101.2370 147.9860 180.0000 135.7036 + 122.6563 118.3504 130.0658 98.7622 + -119.0458 -161.8349 -164.1129 -80.4735 -20.4965 -87.0320 -123.9973 -85.6554 + -83.4766 180.0000 180.0000 -120.0972 -66.4000 -141.6626 180.0000 7.0582 + -125.4111 -113.1050 -132.2168 -61.4696 + Initial conformation 271 + 92.2388 92.2388 90.3570 89.0899 88.6572 93.0319 94.8258 87.9664 + 89.9076 100.1805 109.0732 89.5374 91.8151 101.7839 92.2014 133.2247 + 121.5017 117.9501 114.2013 114.2013 + -180.0000 45.8488 55.1936 49.3961 48.2980 46.8430 59.6233 56.6787 + -87.3042 -127.4990 4.2610 66.1079 70.1396 -108.9488 103.8242 -122.5265 + -90.2854 -108.3282 180.0000 0.0000 + 156.6489 150.0897 135.2656 146.5702 157.2524 125.8617 162.2027 152.6562 + 136.1997 180.0000 180.0000 99.9122 116.3649 105.6153 180.0000 133.8248 + 109.4318 117.6733 123.0525 108.2252 + -8.9647 -107.4231 -24.1679 -73.3369 -60.3813 -24.2671 -140.4965 -52.7434 + -111.0252 180.0000 180.0000 -103.9506 -72.1060 -70.5712 180.0000 176.9509 + -124.1699 -121.7403 -131.1985 -68.1975 + Initial conformation 272 + 92.2388 92.2388 90.3570 89.0899 88.6572 93.0319 94.8258 87.9664 + 89.9076 100.1805 109.0732 89.5374 91.8151 101.7839 92.2014 133.2247 + 121.5017 117.9501 114.2013 114.2013 + -180.0000 45.8488 55.1936 49.3961 48.2980 46.8430 59.6233 56.6787 + -87.3042 -127.4990 4.2610 66.1079 70.1396 -108.9488 103.8242 -122.5265 + -90.2854 -108.3282 180.0000 0.0000 + 111.4764 152.2434 149.4254 138.3400 154.7193 141.4425 155.0476 171.5836 + 131.5062 180.0000 180.0000 100.3547 113.6204 142.5931 180.0000 116.2650 + 118.6566 125.4631 108.5293 150.1922 + -80.0916 -122.4691 -172.0889 -72.9561 -82.9117 -15.6920 -104.2821 -82.5140 + -82.1336 180.0000 180.0000 -102.1935 -67.0707 -52.6938 180.0000 -12.0109 + -127.5390 -128.0723 -107.1787 -161.5180 + Initial conformation 273 + 92.2388 92.2388 90.3570 89.0899 88.6572 93.0319 94.8258 87.9664 + 89.9076 100.1805 109.0732 89.5374 91.8151 101.7839 92.2014 133.2247 + 121.5017 117.9501 114.2013 114.2013 + -180.0000 45.8488 55.1936 49.3961 48.2980 46.8430 59.6233 56.6787 + -87.3042 -127.4990 4.2610 66.1079 70.1396 -108.9488 103.8242 -122.5265 + -90.2854 -108.3282 180.0000 0.0000 + 149.1190 141.1476 113.9173 146.3400 139.6508 144.6293 153.7147 140.0495 + 138.7959 180.0000 180.0000 103.3129 113.9792 158.5572 180.0000 152.7371 + 123.3990 117.2832 121.9954 136.5426 + -96.2440 -79.1907 -98.8911 -90.6242 -66.4548 154.7790 -178.1628 -174.4822 + -134.4590 180.0000 180.0000 -125.8621 -73.8178 -73.4849 180.0000 -116.7122 + -134.2189 -122.5105 -122.9270 -134.3007 + Initial conformation 274 + 92.2388 92.2388 90.3570 89.0899 88.6572 93.0319 94.8258 87.9664 + 89.9076 100.1805 109.0732 89.5374 91.8151 101.7839 92.2014 133.2247 + 121.5017 117.9501 114.2013 114.2013 + -180.0000 45.8488 55.1936 49.3961 48.2980 46.8430 59.6233 56.6787 + -87.3042 -127.4990 4.2610 66.1079 70.1396 -108.9488 103.8242 -122.5265 + -90.2854 -108.3282 180.0000 0.0000 + 139.1042 164.6473 155.0852 150.9076 107.8532 126.6913 154.9983 174.9305 + 145.4790 180.0000 180.0000 105.1334 139.6396 88.9266 180.0000 130.7313 + 128.0095 114.5444 112.6185 147.0398 + -140.2559 -146.2137 -165.2175 -93.3219 -105.8172 23.3537 -142.8621 -137.2072 + -104.1551 180.0000 180.0000 -132.4679 -106.9433 -61.9505 180.0000 -135.5157 + -132.2209 -112.7527 -117.9717 -92.0978 + Initial conformation 275 + 92.2388 92.2388 90.3570 89.0899 88.6572 93.0319 94.8258 87.9664 + 89.9076 100.1805 109.0732 89.5374 91.8151 101.7839 92.2014 133.2247 + 121.5017 117.9501 114.2013 114.2013 + -180.0000 45.8488 55.1936 49.3961 48.2980 46.8430 59.6233 56.6787 + -87.3042 -127.4990 4.2610 66.1079 70.1396 -108.9488 103.8242 -122.5265 + -90.2854 -108.3282 180.0000 0.0000 + 134.6918 157.0760 137.5593 161.5516 150.7124 134.8451 165.4653 147.1404 + 128.8159 180.0000 180.0000 101.3911 142.7319 109.5730 180.0000 157.6226 + 121.7023 125.2216 108.8481 109.9233 + -130.8976 -7.1784 8.0304 -169.7795 -121.3396 169.3776 -145.4692 -99.3190 + -103.6716 180.0000 180.0000 -102.4947 -114.4780 -62.3472 180.0000 -34.5952 + -128.2467 -138.2030 -104.7660 -70.8833 + Initial conformation 276 + 92.2388 92.2388 90.3570 89.0899 88.6572 93.0319 94.8258 87.9664 + 89.9076 100.1805 109.0732 89.5374 91.8151 101.7839 92.2014 133.2247 + 121.5017 117.9501 114.2013 114.2013 + -180.0000 45.8488 55.1936 49.3961 48.2980 46.8430 59.6233 56.6787 + -87.3042 -127.4990 4.2610 66.1079 70.1396 -108.9488 103.8242 -122.5265 + -90.2854 -108.3282 180.0000 0.0000 + 114.2834 152.9337 130.3507 150.1251 162.5240 136.7880 137.2137 143.3121 + 147.9712 180.0000 180.0000 101.5878 162.6335 148.4780 180.0000 145.5299 + 118.4722 128.1561 124.1112 136.5681 + -83.4354 -121.0978 -0.4122 -83.5549 -6.5168 -0.7704 -68.9825 -107.5124 + -51.1766 180.0000 180.0000 -126.7251 -22.0621 -64.8091 180.0000 -127.5796 + -137.6226 -146.8285 -131.9080 -119.0546 + Initial conformation 277 + 92.2388 92.2388 90.3570 89.0899 88.6572 93.0319 94.8258 87.9664 + 89.9076 100.1805 109.0732 89.5374 91.8151 101.7839 92.2014 133.2247 + 121.5017 117.9501 114.2013 114.2013 + -180.0000 45.8488 55.1936 49.3961 48.2980 46.8430 59.6233 56.6787 + -87.3042 -127.4990 4.2610 66.1079 70.1396 -108.9488 103.8242 -122.5265 + -90.2854 -108.3282 180.0000 0.0000 + 147.4712 148.7662 154.9862 141.9142 141.0873 134.0376 154.9808 139.0502 + 164.1099 180.0000 180.0000 101.3135 150.9036 137.6699 180.0000 99.0516 + 127.4161 123.8653 122.0156 92.8225 + 165.5111 -141.1773 156.9084 -81.8411 -110.6136 -153.9451 -95.7104 -83.4602 + -42.5397 180.0000 180.0000 -111.5720 -86.0193 -52.6811 180.0000 -34.9664 + -143.9314 -128.5673 -123.9858 -68.6331 + Initial conformation 278 + 92.2388 92.2388 90.3570 89.0899 88.6572 93.0319 94.8258 87.9664 + 89.9076 100.1805 109.0732 89.5374 91.8151 101.7839 92.2014 133.2247 + 121.5017 117.9501 114.2013 114.2013 + -180.0000 45.8488 55.1936 49.3961 48.2980 46.8430 59.6233 56.6787 + -87.3042 -127.4990 4.2610 66.1079 70.1396 -108.9488 103.8242 -122.5265 + -90.2854 -108.3282 180.0000 0.0000 + 141.7519 164.7384 158.7373 159.7152 139.9783 108.8827 166.3065 166.3517 + 101.7034 180.0000 180.0000 96.3398 106.8241 137.7129 180.0000 159.4472 + 124.1688 113.2487 118.4056 149.7784 + -141.2671 -125.4862 174.3597 -96.1871 -134.4123 -81.4950 -12.9728 153.9656 + -68.7341 180.0000 180.0000 -97.6774 -69.0738 -39.3205 180.0000 -69.2252 + -134.5098 -120.0027 -121.3956 -162.8605 + Initial conformation 279 + 92.2388 92.2388 90.3570 89.0899 88.6572 93.0319 94.8258 87.9664 + 89.9076 100.1805 109.0732 89.5374 91.8151 101.7839 92.2014 133.2247 + 121.5017 117.9501 114.2013 114.2013 + -180.0000 45.8488 55.1936 49.3961 48.2980 46.8430 59.6233 56.6787 + -87.3042 -127.4990 4.2610 66.1079 70.1396 -108.9488 103.8242 -122.5265 + -90.2854 -108.3282 180.0000 0.0000 + 151.2315 156.0912 157.3256 152.3922 138.6700 129.0398 144.8631 143.7863 + 135.6594 180.0000 180.0000 101.7836 142.0427 102.8467 180.0000 158.0779 + 129.5668 126.4926 126.8725 102.9852 + -18.3903 179.8205 169.2317 -81.1910 -98.2231 -7.0525 -163.5548 -65.9027 + -90.6499 180.0000 180.0000 -129.5873 -54.4638 -75.4625 180.0000 -167.1162 + -145.2802 -131.7438 -128.7193 -79.2474 + Initial conformation 280 + 92.2388 92.2388 90.3570 89.0899 88.6572 93.0319 94.8258 87.9664 + 89.9076 100.1805 109.0732 89.5374 91.8151 101.7839 92.2014 133.2247 + 121.5017 117.9501 114.2013 114.2013 + -180.0000 45.8488 55.1936 49.3961 48.2980 46.8430 59.6233 56.6787 + -87.3042 -127.4990 4.2610 66.1079 70.1396 -108.9488 103.8242 -122.5265 + -90.2854 -108.3282 180.0000 0.0000 + 161.1205 157.4405 141.7879 165.6614 151.5098 159.5363 142.8951 117.7495 + 111.1069 180.0000 180.0000 102.1791 104.3721 138.2347 180.0000 164.9491 + 118.9274 115.2287 117.2010 137.8655 + -145.6643 -6.7932 -6.4391 -100.5756 165.0090 141.5883 -102.1503 -68.5819 + -74.3064 180.0000 180.0000 -123.2292 -73.5618 -110.6945 180.0000 -78.3878 + -121.1147 -116.1762 -113.0173 -68.3509 + Initial conformation 281 + 92.2388 92.2388 90.3570 89.0899 88.6572 93.0319 94.8258 87.9664 + 89.9076 100.1805 109.0732 89.5374 91.8151 101.7839 92.2014 133.2247 + 121.5017 117.9501 114.2013 114.2013 + -180.0000 45.8488 55.1936 49.3961 48.2980 46.8430 59.6233 56.6787 + -87.3042 -127.4990 4.2610 66.1079 70.1396 -108.9488 103.8242 -122.5265 + -90.2854 -108.3282 180.0000 0.0000 + 156.8319 164.8276 158.4276 126.2086 153.2304 177.7035 160.0848 142.6373 + 138.5319 180.0000 180.0000 102.1833 109.3258 149.4200 180.0000 132.8618 + 121.1755 115.1238 126.7869 128.6849 + -136.3043 -18.0533 -171.0583 -78.7692 -8.2127 164.6058 -12.7293 -120.7509 + -133.7716 180.0000 180.0000 -113.2395 -71.5688 -119.7593 180.0000 -128.2692 + -125.4592 -122.3069 -126.6503 -88.4133 + Initial conformation 282 + 92.2388 92.2388 90.3570 89.0899 88.6572 93.0319 94.8258 87.9664 + 89.9076 100.1805 109.0732 89.5374 91.8151 101.7839 92.2014 133.2247 + 121.5017 117.9501 114.2013 114.2013 + -180.0000 45.8488 55.1936 49.3961 48.2980 46.8430 59.6233 56.6787 + -87.3042 -127.4990 4.2610 66.1079 70.1396 -108.9488 103.8242 -122.5265 + -90.2854 -108.3282 180.0000 0.0000 + 145.9687 155.1362 131.4620 143.1474 137.6940 158.0845 149.9933 145.2468 + 147.4911 180.0000 180.0000 96.7685 141.4929 100.2525 180.0000 109.3585 + 127.7082 128.9663 112.1988 130.2770 + -162.5466 -33.6251 -4.4552 -102.1448 -116.3323 106.1086 -38.3638 -139.7030 + -130.9332 180.0000 180.0000 -123.0640 -26.4839 -77.2194 180.0000 -25.1743 + -133.9102 -139.3576 -116.9175 -38.2038 + Initial conformation 283 + 92.2388 92.2388 90.3570 89.0899 88.6572 93.0319 94.8258 87.9664 + 89.9076 100.1805 109.0732 89.5374 91.8151 101.7839 92.2014 133.2247 + 121.5017 117.9501 114.2013 114.2013 + -180.0000 45.8488 55.1936 49.3961 48.2980 46.8430 59.6233 56.6787 + -87.3042 -127.4990 4.2610 66.1079 70.1396 -108.9488 103.8242 -122.5265 + -90.2854 -108.3282 180.0000 0.0000 + 133.5857 155.2724 157.2322 150.9713 118.9133 147.0842 139.3419 150.1665 + 138.3695 180.0000 180.0000 85.1181 110.6850 98.1450 180.0000 141.3976 + 119.4094 126.7165 117.6924 110.7111 + -130.2481 -146.0568 -175.3941 -92.9846 170.3476 -161.9333 -77.5145 172.4777 + -97.7881 180.0000 180.0000 -112.6361 -75.8738 -68.3157 180.0000 146.5768 + -124.2311 -141.8558 -117.4299 -60.7628 + Initial conformation 284 + 92.2388 92.2388 90.3570 89.0899 88.6572 93.0319 94.8258 87.9664 + 89.9076 100.1805 109.0732 89.5374 91.8151 101.7839 92.2014 133.2247 + 121.5017 117.9501 114.2013 114.2013 + -180.0000 45.8488 55.1936 49.3961 48.2980 46.8430 59.6233 56.6787 + -87.3042 -127.4990 4.2610 66.1079 70.1396 -108.9488 103.8242 -122.5265 + -90.2854 -108.3282 180.0000 0.0000 + 144.8631 158.6866 168.0863 151.4156 130.2461 122.6379 158.5130 168.5885 + 138.3804 180.0000 180.0000 97.0415 160.7147 137.9958 180.0000 91.4067 + 121.8754 113.1076 128.1254 144.1558 + -101.3567 -126.1569 127.6923 -89.7545 -95.6488 -13.4447 -85.8580 -36.8934 + -152.9377 180.0000 180.0000 -109.2028 -93.3407 -83.4111 180.0000 27.4370 + -126.1416 -117.0478 -123.4155 -88.6987 + Initial conformation 285 + 92.2388 92.2388 90.3570 89.0899 88.6572 93.0319 94.8258 87.9664 + 89.9076 100.1805 109.0732 89.5374 91.8151 101.7839 92.2014 133.2247 + 121.5017 117.9501 114.2013 114.2013 + -180.0000 45.8488 55.1936 49.3961 48.2980 46.8430 59.6233 56.6787 + -87.3042 -127.4990 4.2610 66.1079 70.1396 -108.9488 103.8242 -122.5265 + -90.2854 -108.3282 180.0000 0.0000 + 142.8703 157.7752 164.8146 146.3923 133.8763 144.9903 164.3195 154.3430 + 119.5069 180.0000 180.0000 93.4742 165.6582 91.2266 180.0000 143.5198 + 113.7080 108.7238 109.7249 105.6627 + -152.2160 -12.6343 163.1457 -78.9306 -161.0556 171.4005 -146.4938 -146.6422 + -86.4526 180.0000 180.0000 -90.5781 -77.5319 -66.6925 180.0000 -110.1067 + -118.8139 -107.9853 -101.4438 -67.1828 + Initial conformation 286 + 92.2388 92.2388 90.3570 89.0899 88.6572 93.0319 94.8258 87.9664 + 89.9076 100.1805 109.0732 89.5374 91.8151 101.7839 92.2014 133.2247 + 121.5017 117.9501 114.2013 114.2013 + -180.0000 45.8488 55.1936 49.3961 48.2980 46.8430 59.6233 56.6787 + -87.3042 -127.4990 4.2610 66.1079 70.1396 -108.9488 103.8242 -122.5265 + -90.2854 -108.3282 180.0000 0.0000 + 168.9721 163.3451 134.8999 136.8180 157.5160 131.5154 151.3451 159.5891 + 136.3222 180.0000 180.0000 89.7846 172.8110 110.0380 180.0000 159.0028 + 120.7711 126.3388 113.1956 137.6984 + -160.0749 -179.3200 -162.9923 -62.5126 -121.7418 178.1449 -86.2629 -129.5232 + -145.8974 180.0000 180.0000 -105.7509 20.3178 -75.2105 180.0000 -158.4301 + -128.0765 -131.0463 -108.1647 -82.1609 + Initial conformation 287 + 92.2388 92.2388 90.3570 89.0899 88.6572 93.0319 94.8258 87.9664 + 89.9076 100.1805 109.0732 89.5374 91.8151 101.7839 92.2014 133.2247 + 121.5017 117.9501 114.2013 114.2013 + -180.0000 45.8488 55.1936 49.3961 48.2980 46.8430 59.6233 56.6787 + -87.3042 -127.4990 4.2610 66.1079 70.1396 -108.9488 103.8242 -122.5265 + -90.2854 -108.3282 180.0000 0.0000 + 143.7101 159.8011 154.3306 145.3298 166.9286 139.3164 156.3945 145.3528 + 149.5496 180.0000 180.0000 96.2336 132.5072 112.4203 180.0000 133.1313 + 119.4562 114.9683 124.5626 130.8262 + -120.7967 -110.6806 -161.4452 -77.4538 65.0994 -32.7307 -146.4210 169.3455 + -35.3061 180.0000 180.0000 -84.5005 -124.4515 -73.1528 180.0000 -74.0147 + -126.4795 -122.8380 -126.5808 -94.2565 + Initial conformation 288 + 92.2388 92.2388 90.3570 89.0899 88.6572 93.0319 94.8258 87.9664 + 89.9076 100.1805 109.0732 89.5374 91.8151 101.7839 92.2014 133.2247 + 121.5017 117.9501 114.2013 114.2013 + -180.0000 45.8488 55.1936 49.3961 48.2980 46.8430 59.6233 56.6787 + -87.3042 -127.4990 4.2610 66.1079 70.1396 -108.9488 103.8242 -122.5265 + -90.2854 -108.3282 180.0000 0.0000 + 154.3665 149.7767 135.2069 145.1817 132.3545 146.5196 160.5246 177.2161 + 132.8685 180.0000 180.0000 101.9513 152.1824 151.4269 180.0000 144.8175 + 123.6590 127.9338 113.2521 151.4153 + 13.0217 -82.0770 -0.5649 -90.3925 -146.5662 139.3050 161.2964 -94.0980 + -103.0072 180.0000 180.0000 -135.3371 -25.6304 -53.7869 180.0000 -75.0481 + -135.8157 -133.1645 -116.1317 -59.7282 + Initial conformation 289 + 92.2388 92.2388 90.3570 89.0899 88.6572 93.0319 94.8258 87.9664 + 89.9076 100.1805 109.0732 89.5374 91.8151 101.7839 92.2014 133.2247 + 121.5017 117.9501 114.2013 114.2013 + -180.0000 45.8488 55.1936 49.3961 48.2980 46.8430 59.6233 56.6787 + -87.3042 -127.4990 4.2610 66.1079 70.1396 -108.9488 103.8242 -122.5265 + -90.2854 -108.3282 180.0000 0.0000 + 137.7969 152.7693 134.5512 148.8365 146.3012 125.0408 158.7243 140.2714 + 141.8469 180.0000 180.0000 107.0529 127.2965 143.7847 180.0000 125.0236 + 117.4586 112.4236 116.6812 109.4397 + -112.2145 -34.8563 -161.7708 -77.4821 -105.4841 -20.6848 -128.5754 -116.3055 + -158.7438 180.0000 180.0000 -117.1381 -30.4957 -161.8195 180.0000 -132.9022 + -120.2916 -109.0771 -116.6303 -66.5066 + Initial conformation 290 + 92.2388 92.2388 90.3570 89.0899 88.6572 93.0319 94.8258 87.9664 + 89.9076 100.1805 109.0732 89.5374 91.8151 101.7839 92.2014 133.2247 + 121.5017 117.9501 114.2013 114.2013 + -180.0000 45.8488 55.1936 49.3961 48.2980 46.8430 59.6233 56.6787 + -87.3042 -127.4990 4.2610 66.1079 70.1396 -108.9488 103.8242 -122.5265 + -90.2854 -108.3282 180.0000 0.0000 + 151.2407 132.0463 139.1184 136.1399 138.8865 165.1445 148.4607 125.8252 + 144.6995 180.0000 180.0000 98.2059 99.5759 156.3535 180.0000 117.2672 + 130.4147 128.7893 113.0753 135.2061 + -101.7735 -143.1006 11.9552 -86.7563 -75.9258 177.6941 -98.4669 -123.5607 + -117.7006 180.0000 180.0000 -96.6461 -57.1687 -83.6945 180.0000 15.0630 + -138.9786 -133.0393 -110.8533 -81.4071 + Initial conformation 291 + 92.2388 92.2388 90.3570 89.0899 88.6572 93.0319 94.8258 87.9664 + 89.9076 100.1805 109.0732 89.5374 91.8151 101.7839 92.2014 133.2247 + 121.5017 117.9501 114.2013 114.2013 + -180.0000 45.8488 55.1936 49.3961 48.2980 46.8430 59.6233 56.6787 + -87.3042 -127.4990 4.2610 66.1079 70.1396 -108.9488 103.8242 -122.5265 + -90.2854 -108.3282 180.0000 0.0000 + 135.0466 145.1150 139.8831 154.9192 141.5230 123.7009 160.1313 138.6304 + 132.0707 180.0000 180.0000 98.3144 113.3730 152.6672 180.0000 134.6101 + 116.8640 120.6629 115.4904 133.0141 + 169.9385 -15.7934 -8.1518 -113.4520 -132.1825 -127.2649 -148.7687 -90.4477 + -70.1250 180.0000 180.0000 -108.4784 -72.8022 -17.1223 180.0000 -113.4177 + -126.5669 -127.0645 -118.9267 -86.1391 + Initial conformation 292 + 92.2388 92.2388 90.3570 89.0899 88.6572 93.0319 94.8258 87.9664 + 89.9076 100.1805 109.0732 89.5374 91.8151 101.7839 92.2014 133.2247 + 121.5017 117.9501 114.2013 114.2013 + -180.0000 45.8488 55.1936 49.3961 48.2980 46.8430 59.6233 56.6787 + -87.3042 -127.4990 4.2610 66.1079 70.1396 -108.9488 103.8242 -122.5265 + -90.2854 -108.3282 180.0000 0.0000 + 144.4067 156.0949 138.9170 136.9894 156.7809 136.1017 155.5369 128.0776 + 126.0851 180.0000 180.0000 107.7589 94.0693 149.9088 180.0000 114.3344 + 111.6966 115.5254 116.0241 145.9033 + 179.8576 -142.8295 -5.6531 -81.5740 -141.8460 5.4237 179.6897 -113.2010 + -96.5643 180.0000 180.0000 -107.6435 -66.1975 -145.5892 180.0000 -86.2631 + -118.2021 -115.0837 -118.3696 -93.0130 + Initial conformation 293 + 92.2388 92.2388 90.3570 89.0899 88.6572 93.0319 94.8258 87.9664 + 89.9076 100.1805 109.0732 89.5374 91.8151 101.7839 92.2014 133.2247 + 121.5017 117.9501 114.2013 114.2013 + -180.0000 45.8488 55.1936 49.3961 48.2980 46.8430 59.6233 56.6787 + -87.3042 -127.4990 4.2610 66.1079 70.1396 -108.9488 103.8242 -122.5265 + -90.2854 -108.3282 180.0000 0.0000 + 149.8762 145.4797 138.0641 149.4326 125.1526 111.6744 162.9019 159.7076 + 150.0415 180.0000 180.0000 98.2466 159.6881 142.3998 180.0000 133.4410 + 120.3320 120.9531 126.8429 145.9599 + -152.5031 -81.1712 164.1037 -98.5468 -131.9839 -102.0556 -14.6800 -165.4608 + -139.1570 180.0000 180.0000 -117.5842 -33.0089 -108.3064 180.0000 -65.3804 + -128.1885 -126.7445 -141.8577 -74.4961 + Initial conformation 294 + 92.2388 92.2388 90.3570 89.0899 88.6572 93.0319 94.8258 87.9664 + 89.9076 100.1805 109.0732 89.5374 91.8151 101.7839 92.2014 133.2247 + 121.5017 117.9501 114.2013 114.2013 + -180.0000 45.8488 55.1936 49.3961 48.2980 46.8430 59.6233 56.6787 + -87.3042 -127.4990 4.2610 66.1079 70.1396 -108.9488 103.8242 -122.5265 + -90.2854 -108.3282 180.0000 0.0000 + 145.5312 161.7582 129.8539 137.3625 156.1036 110.9509 158.7019 159.1684 + 129.1198 180.0000 180.0000 100.0424 132.3473 146.7121 180.0000 124.2935 + 113.4542 130.7938 114.7050 106.7195 + -108.9636 -104.7297 -30.7391 -88.3832 14.8332 -45.7270 -137.7723 96.6194 + -118.2320 180.0000 180.0000 -98.3240 -64.0715 -81.2023 180.0000 -125.5754 + -117.7231 -137.9015 -118.9481 -64.6323 + Initial conformation 295 + 92.2388 92.2388 90.3570 89.0899 88.6572 93.0319 94.8258 87.9664 + 89.9076 100.1805 109.0732 89.5374 91.8151 101.7839 92.2014 133.2247 + 121.5017 117.9501 114.2013 114.2013 + -180.0000 45.8488 55.1936 49.3961 48.2980 46.8430 59.6233 56.6787 + -87.3042 -127.4990 4.2610 66.1079 70.1396 -108.9488 103.8242 -122.5265 + -90.2854 -108.3282 180.0000 0.0000 + 134.3222 142.2404 139.6950 146.4502 135.0976 125.6444 165.6257 142.6878 + 140.6647 180.0000 180.0000 103.9680 145.3987 151.0673 180.0000 149.0725 + 129.1582 126.0388 128.6241 137.8508 + -134.6584 -88.9698 179.4330 -80.7004 -154.2530 -3.8644 -150.3241 -124.4873 + -109.9576 180.0000 180.0000 -88.1897 -80.5712 -82.9540 180.0000 -112.4103 + -140.7422 -131.6780 -129.7691 -64.9609 + Initial conformation 296 + 92.2388 92.2388 90.3570 89.0899 88.6572 93.0319 94.8258 87.9664 + 89.9076 100.1805 109.0732 89.5374 91.8151 101.7839 92.2014 133.2247 + 121.5017 117.9501 114.2013 114.2013 + -180.0000 45.8488 55.1936 49.3961 48.2980 46.8430 59.6233 56.6787 + -87.3042 -127.4990 4.2610 66.1079 70.1396 -108.9488 103.8242 -122.5265 + -90.2854 -108.3282 180.0000 0.0000 + 134.3598 145.4983 121.6229 140.6219 136.2876 144.5092 146.7924 137.5876 + 136.9720 180.0000 180.0000 95.8952 100.3464 132.6442 180.0000 151.9863 + 124.6333 111.3037 121.0543 118.9148 + -127.2630 -132.4372 -17.2236 -64.3463 14.6091 12.1337 -13.8612 -97.5124 + -98.4346 180.0000 180.0000 -94.0162 -74.6901 -84.0485 180.0000 -116.9542 + -136.0336 -125.7776 -121.7371 -102.7929 + Initial conformation 297 + 92.2388 92.2388 90.3570 89.0899 88.6572 93.0319 94.8258 87.9664 + 89.9076 100.1805 109.0732 89.5374 91.8151 101.7839 92.2014 133.2247 + 121.5017 117.9501 114.2013 114.2013 + -180.0000 45.8488 55.1936 49.3961 48.2980 46.8430 59.6233 56.6787 + -87.3042 -127.4990 4.2610 66.1079 70.1396 -108.9488 103.8242 -122.5265 + -90.2854 -108.3282 180.0000 0.0000 + 157.1427 176.1076 139.3685 140.8694 125.3512 139.8129 152.5519 132.2130 + 133.3956 180.0000 180.0000 101.6679 175.5829 159.3415 180.0000 125.2392 + 122.0831 119.2285 118.7216 149.9695 + -15.7372 -178.6359 -28.2104 -91.1454 -150.3007 134.4800 175.6998 -117.7027 + -110.6885 180.0000 180.0000 -134.2411 -46.5181 -64.7088 180.0000 138.8709 + -131.3943 -120.2113 -122.5944 -82.2606 + Initial conformation 298 + 92.2388 92.2388 90.3570 89.0899 88.6572 93.0319 94.8258 87.9664 + 89.9076 100.1805 109.0732 89.5374 91.8151 101.7839 92.2014 133.2247 + 121.5017 117.9501 114.2013 114.2013 + -180.0000 45.8488 55.1936 49.3961 48.2980 46.8430 59.6233 56.6787 + -87.3042 -127.4990 4.2610 66.1079 70.1396 -108.9488 103.8242 -122.5265 + -90.2854 -108.3282 180.0000 0.0000 + 151.9337 161.7957 155.5671 136.1368 149.4707 138.3417 143.8892 126.0552 + 157.1683 180.0000 180.0000 108.8618 156.4192 132.6547 180.0000 98.0027 + 115.6265 117.9798 125.9914 124.8212 + -96.2374 -14.6812 -176.4967 -76.0822 -154.4379 -18.1911 -78.6197 -36.4713 + -100.3510 180.0000 180.0000 -150.8487 -120.3780 -96.6691 180.0000 -113.1988 + -127.1975 -118.5625 -128.2644 -61.8745 + Initial conformation 299 + 92.2388 92.2388 90.3570 89.0899 88.6572 93.0319 94.8258 87.9664 + 89.9076 100.1805 109.0732 89.5374 91.8151 101.7839 92.2014 133.2247 + 121.5017 117.9501 114.2013 114.2013 + -180.0000 45.8488 55.1936 49.3961 48.2980 46.8430 59.6233 56.6787 + -87.3042 -127.4990 4.2610 66.1079 70.1396 -108.9488 103.8242 -122.5265 + -90.2854 -108.3282 180.0000 0.0000 + 107.7229 156.4441 118.0430 142.7404 125.6765 149.2714 148.9795 132.8977 + 134.8027 180.0000 180.0000 94.5378 102.9505 107.6067 180.0000 122.9789 + 119.0931 124.1163 125.4100 146.9818 + -104.2111 -81.8104 -99.1777 -86.6975 -172.6650 144.0833 -116.2255 -86.9249 + -121.3062 180.0000 180.0000 -103.0953 -67.2101 -67.2296 180.0000 -141.7096 + -119.0810 -124.6413 -128.7248 -53.5710 + Initial conformation 300 + 92.2388 92.2388 90.3570 89.0899 88.6572 93.0319 94.8258 87.9664 + 89.9076 100.1805 109.0732 89.5374 91.8151 101.7839 92.2014 133.2247 + 121.5017 117.9501 114.2013 114.2013 + -180.0000 45.8488 55.1936 49.3961 48.2980 46.8430 59.6233 56.6787 + -87.3042 -127.4990 4.2610 66.1079 70.1396 -108.9488 103.8242 -122.5265 + -90.2854 -108.3282 180.0000 0.0000 + 152.9250 166.0255 152.0685 142.3292 149.7331 152.4368 150.0640 155.6160 + 154.9174 180.0000 180.0000 101.9908 107.5653 109.6706 180.0000 91.0168 + 132.1199 116.6444 114.6678 148.2475 + -178.6732 -156.7619 179.6829 -74.3476 -25.3923 -145.9199 -122.0991 -149.0833 + -91.0675 180.0000 180.0000 -124.2270 -71.1086 -70.1820 180.0000 -144.3188 + -148.3599 -116.2557 -123.8346 -130.6610 + Initial conformation 301 + 92.2388 92.2388 90.3570 89.0899 88.6572 93.0319 94.8258 87.9664 + 89.9076 100.1805 109.0732 89.5374 91.8151 101.7839 92.2014 133.2247 + 121.5017 117.9501 114.2013 114.2013 + -180.0000 45.8488 55.1936 49.3961 48.2980 46.8430 59.6233 56.6787 + -87.3042 -127.4990 4.2610 66.1079 70.1396 -108.9488 103.8242 -122.5265 + -90.2854 -108.3282 180.0000 0.0000 + 137.5483 157.8101 144.3539 137.8815 154.7702 142.4940 148.9359 138.3133 + 149.0997 180.0000 180.0000 105.7559 116.1571 152.5030 180.0000 121.6512 + 124.9006 125.5556 112.8633 138.7585 + -126.5758 -132.8408 150.4156 -74.7141 -59.4407 -11.2365 -96.6990 -95.7116 + -4.7256 180.0000 180.0000 -138.5894 -74.9817 -77.8221 180.0000 -53.5106 + -141.1108 -130.1348 -110.0980 -102.4754 + Initial conformation 302 + 92.2388 92.2388 90.3570 89.0899 88.6572 93.0319 94.8258 87.9664 + 89.9076 100.1805 109.0732 89.5374 91.8151 101.7839 92.2014 133.2247 + 121.5017 117.9501 114.2013 114.2013 + -180.0000 45.8488 55.1936 49.3961 48.2980 46.8430 59.6233 56.6787 + -87.3042 -127.4990 4.2610 66.1079 70.1396 -108.9488 103.8242 -122.5265 + -90.2854 -108.3282 180.0000 0.0000 + 156.7329 161.8199 141.7400 142.5656 146.9256 147.0476 158.6749 131.6812 + 137.9259 180.0000 180.0000 101.0417 140.1801 141.2983 180.0000 125.5712 + 118.0763 111.3262 118.3761 128.8090 + -20.4660 -156.0845 -4.0761 -65.2463 -120.2894 38.0124 -18.5201 -102.6324 + -117.3823 180.0000 180.0000 -93.7114 -77.0037 -39.4573 180.0000 -122.0794 + -119.6004 -117.5481 -123.0229 -132.4484 + Initial conformation 303 + 92.2388 92.2388 90.3570 89.0899 88.6572 93.0319 94.8258 87.9664 + 89.9076 100.1805 109.0732 89.5374 91.8151 101.7839 92.2014 133.2247 + 121.5017 117.9501 114.2013 114.2013 + -180.0000 45.8488 55.1936 49.3961 48.2980 46.8430 59.6233 56.6787 + -87.3042 -127.4990 4.2610 66.1079 70.1396 -108.9488 103.8242 -122.5265 + -90.2854 -108.3282 180.0000 0.0000 + 151.8493 140.7925 145.6827 138.9070 143.7396 179.3488 165.5785 155.0112 + 136.8259 180.0000 180.0000 106.1174 151.6796 159.4368 180.0000 141.4322 + 123.0074 128.1423 125.0040 133.3671 + -30.6583 -78.5647 -5.6641 -86.4270 6.5036 127.5238 -130.6306 128.9603 + -61.6324 180.0000 180.0000 -119.5686 -59.5844 -118.3488 180.0000 -161.1777 + -130.1681 -138.6724 -130.7380 -54.0941 + Initial conformation 304 + 92.2388 92.2388 90.3570 89.0899 88.6572 93.0319 94.8258 87.9664 + 89.9076 100.1805 109.0732 89.5374 91.8151 101.7839 92.2014 133.2247 + 121.5017 117.9501 114.2013 114.2013 + -180.0000 45.8488 55.1936 49.3961 48.2980 46.8430 59.6233 56.6787 + -87.3042 -127.4990 4.2610 66.1079 70.1396 -108.9488 103.8242 -122.5265 + -90.2854 -108.3282 180.0000 0.0000 + 163.3001 139.1195 100.7323 137.9967 135.7942 143.0373 148.6263 143.7155 + 153.7084 180.0000 180.0000 98.4452 150.7690 105.6220 180.0000 118.6604 + 122.7859 123.1944 124.5201 125.8517 + -179.1465 -122.5463 -95.7647 -93.1080 -79.4298 155.1184 -24.1340 -127.3356 + -0.8661 180.0000 180.0000 -101.3949 -116.9601 -63.2336 180.0000 -12.7605 + -134.9177 -125.2426 -121.5779 -13.7099 + Initial conformation 305 + 92.2388 92.2388 90.3570 89.0899 88.6572 93.0319 94.8258 87.9664 + 89.9076 100.1805 109.0732 89.5374 91.8151 101.7839 92.2014 133.2247 + 121.5017 117.9501 114.2013 114.2013 + -180.0000 45.8488 55.1936 49.3961 48.2980 46.8430 59.6233 56.6787 + -87.3042 -127.4990 4.2610 66.1079 70.1396 -108.9488 103.8242 -122.5265 + -90.2854 -108.3282 180.0000 0.0000 + 159.7195 155.0585 138.9919 149.6840 146.8983 139.7111 152.5086 155.4651 + 121.4978 180.0000 180.0000 110.9688 143.5277 104.5673 180.0000 128.4498 + 125.5621 119.1664 132.0476 106.7452 + 17.1387 -13.7575 -19.2997 -115.7237 -63.7890 105.8250 -38.6067 -105.1762 + -106.8150 180.0000 180.0000 -123.3375 -134.3561 -64.5280 180.0000 -156.3915 + -132.9125 -124.6119 -145.9131 -63.3889 + Initial conformation 306 + 92.2388 92.2388 90.3570 89.0899 88.6572 93.0319 94.8258 87.9664 + 89.9076 100.1805 109.0732 89.5374 91.8151 101.7839 92.2014 133.2247 + 121.5017 117.9501 114.2013 114.2013 + -180.0000 45.8488 55.1936 49.3961 48.2980 46.8430 59.6233 56.6787 + -87.3042 -127.4990 4.2610 66.1079 70.1396 -108.9488 103.8242 -122.5265 + -90.2854 -108.3282 180.0000 0.0000 + 136.2592 154.0295 126.3868 135.6960 168.9225 124.4404 149.1629 152.7570 + 144.8198 180.0000 180.0000 94.8013 141.0444 157.2565 180.0000 146.6096 + 123.1366 128.5189 121.3615 140.2736 + -137.3864 -111.7989 -175.9526 -89.8550 -130.8223 -25.6995 -125.3004 -139.2205 + -159.7414 180.0000 180.0000 -109.3828 -77.6485 -62.6218 180.0000 -67.9636 + -129.2802 -137.4070 -126.1347 -50.8897 + Initial conformation 307 + 92.2388 92.2388 90.3570 89.0899 88.6572 93.0319 94.8258 87.9664 + 89.9076 100.1805 109.0732 89.5374 91.8151 101.7839 92.2014 133.2247 + 121.5017 117.9501 114.2013 114.2013 + -180.0000 45.8488 55.1936 49.3961 48.2980 46.8430 59.6233 56.6787 + -87.3042 -127.4990 4.2610 66.1079 70.1396 -108.9488 103.8242 -122.5265 + -90.2854 -108.3282 180.0000 0.0000 + 126.9307 171.2798 148.2109 140.1868 134.6622 173.2701 155.1347 146.9060 + 124.0314 180.0000 180.0000 85.0120 151.3117 161.7990 180.0000 136.3538 + 120.8892 134.5424 116.4620 165.1499 + -137.7771 2.4833 161.0796 -83.5170 -104.1705 140.2406 -11.1253 -177.4053 + -101.9398 180.0000 180.0000 -102.9815 -90.1439 -106.7641 180.0000 -136.9237 + -120.1325 -144.1878 -114.7606 -61.6631 + Initial conformation 308 + 92.2388 92.2388 90.3570 89.0899 88.6572 93.0319 94.8258 87.9664 + 89.9076 100.1805 109.0732 89.5374 91.8151 101.7839 92.2014 133.2247 + 121.5017 117.9501 114.2013 114.2013 + -180.0000 45.8488 55.1936 49.3961 48.2980 46.8430 59.6233 56.6787 + -87.3042 -127.4990 4.2610 66.1079 70.1396 -108.9488 103.8242 -122.5265 + -90.2854 -108.3282 180.0000 0.0000 + 147.7005 148.5330 148.2993 123.6650 141.3098 139.7826 137.5696 133.2370 + 131.5135 180.0000 180.0000 103.1032 109.6904 135.9305 180.0000 136.7377 + 126.1799 126.2946 126.0092 147.2003 + -39.2228 -125.7492 170.4290 -57.9413 -97.0737 36.6239 -120.0891 -69.9142 + -107.4384 180.0000 180.0000 -116.8404 -76.6032 -63.4744 180.0000 -179.0687 + -133.0816 -130.3140 -128.6206 -83.6455 + Initial conformation 309 + 92.2388 92.2388 90.3570 89.0899 88.6572 93.0319 94.8258 87.9664 + 89.9076 100.1805 109.0732 89.5374 91.8151 101.7839 92.2014 133.2247 + 121.5017 117.9501 114.2013 114.2013 + -180.0000 45.8488 55.1936 49.3961 48.2980 46.8430 59.6233 56.6787 + -87.3042 -127.4990 4.2610 66.1079 70.1396 -108.9488 103.8242 -122.5265 + -90.2854 -108.3282 180.0000 0.0000 + 151.6941 166.6817 137.2892 141.7481 138.2295 155.1966 139.4675 165.2265 + 127.3510 180.0000 180.0000 106.5784 142.0107 147.3487 180.0000 132.0041 + 110.0544 113.6190 111.4737 142.4112 + -57.0999 -106.1321 -12.5946 -77.7695 -128.7428 155.3630 -91.9647 90.9998 + -100.2188 180.0000 180.0000 -130.7819 -59.1729 -64.4488 180.0000 -159.1208 + -116.7364 -114.2814 -116.5771 -90.2048 + Initial conformation 310 + 92.2388 92.2388 90.3570 89.0899 88.6572 93.0319 94.8258 87.9664 + 89.9076 100.1805 109.0732 89.5374 91.8151 101.7839 92.2014 133.2247 + 121.5017 117.9501 114.2013 114.2013 + -180.0000 45.8488 55.1936 49.3961 48.2980 46.8430 59.6233 56.6787 + -87.3042 -127.4990 4.2610 66.1079 70.1396 -108.9488 103.8242 -122.5265 + -90.2854 -108.3282 180.0000 0.0000 + 107.5467 153.1696 150.3499 146.6788 125.8055 142.3717 161.7926 136.1510 + 146.1820 180.0000 180.0000 95.0323 93.9319 149.1797 180.0000 103.5129 + 117.2921 122.3572 118.0829 154.0876 + -88.7310 -17.8814 -11.8553 -80.7581 -57.8228 -3.3810 -125.8952 -94.1383 + -121.4093 180.0000 180.0000 -102.3847 -74.2817 -84.0820 180.0000 -139.0488 + -126.7485 -127.0806 -124.7321 -46.1389 + Initial conformation 311 + 92.2388 92.2388 90.3570 89.0899 88.6572 93.0319 94.8258 87.9664 + 89.9076 100.1805 109.0732 89.5374 91.8151 101.7839 92.2014 133.2247 + 121.5017 117.9501 114.2013 114.2013 + -180.0000 45.8488 55.1936 49.3961 48.2980 46.8430 59.6233 56.6787 + -87.3042 -127.4990 4.2610 66.1079 70.1396 -108.9488 103.8242 -122.5265 + -90.2854 -108.3282 180.0000 0.0000 + 155.2077 147.6317 158.6159 143.6597 157.2487 170.0684 150.0299 141.8495 + 139.1914 180.0000 180.0000 101.7905 108.2191 106.1394 180.0000 126.9104 + 114.1141 120.4123 121.2810 146.7284 + -124.6840 -121.1764 178.4837 -73.6782 -122.2580 106.6738 158.0746 -121.3488 + -117.7558 180.0000 180.0000 -106.8804 -80.0809 -64.9893 180.0000 -126.6459 + -121.7718 -129.2012 -127.4091 -103.3377 + Initial conformation 312 + 92.2388 92.2388 90.3570 89.0899 88.6572 93.0319 94.8258 87.9664 + 89.9076 100.1805 109.0732 89.5374 91.8151 101.7839 92.2014 133.2247 + 121.5017 117.9501 114.2013 114.2013 + -180.0000 45.8488 55.1936 49.3961 48.2980 46.8430 59.6233 56.6787 + -87.3042 -127.4990 4.2610 66.1079 70.1396 -108.9488 103.8242 -122.5265 + -90.2854 -108.3282 180.0000 0.0000 + 124.0432 158.9117 148.7961 134.8681 176.1332 133.4683 160.7642 167.2817 + 145.1702 180.0000 180.0000 105.5328 101.3531 115.2916 180.0000 137.3612 + 126.5688 118.7721 124.9681 127.5901 + -86.5665 -61.2042 -173.2608 -66.9360 -139.6038 -18.0413 -35.3905 -102.6817 + -122.1836 180.0000 180.0000 -91.2527 -70.0911 -66.5533 180.0000 -165.8852 + -137.1353 -128.1746 -133.3114 -67.3215 + Initial conformation 313 + 92.2388 92.2388 90.3570 89.0899 88.6572 93.0319 94.8258 87.9664 + 89.9076 100.1805 109.0732 89.5374 91.8151 101.7839 92.2014 133.2247 + 121.5017 117.9501 114.2013 114.2013 + -180.0000 45.8488 55.1936 49.3961 48.2980 46.8430 59.6233 56.6787 + -87.3042 -127.4990 4.2610 66.1079 70.1396 -108.9488 103.8242 -122.5265 + -90.2854 -108.3282 180.0000 0.0000 + 132.8082 161.6125 161.7988 145.3027 151.8259 164.1781 170.1855 154.1234 + 132.1241 180.0000 180.0000 90.4578 150.8693 143.0863 180.0000 145.3861 + 123.6217 116.7418 122.5257 131.6804 + -23.4376 -121.9541 -166.7751 -98.9242 90.4110 32.8484 176.4688 -151.6210 + -138.7174 180.0000 180.0000 -115.2530 -85.4533 -91.5217 180.0000 -124.4812 + -136.2570 -126.1766 -126.7746 -133.7861 + Initial conformation 314 + 92.2388 92.2388 90.3570 89.0899 88.6572 93.0319 94.8258 87.9664 + 89.9076 100.1805 109.0732 89.5374 91.8151 101.7839 92.2014 133.2247 + 121.5017 117.9501 114.2013 114.2013 + -180.0000 45.8488 55.1936 49.3961 48.2980 46.8430 59.6233 56.6787 + -87.3042 -127.4990 4.2610 66.1079 70.1396 -108.9488 103.8242 -122.5265 + -90.2854 -108.3282 180.0000 0.0000 + 154.0319 164.2658 157.7175 137.3146 140.8738 153.1418 147.4260 147.9872 + 156.9707 180.0000 180.0000 94.3188 99.8057 110.1925 180.0000 134.0638 + 121.9547 117.1757 114.2717 97.0046 + 0.7976 -6.6268 163.1439 -88.4748 -179.3984 -138.7146 -153.5119 -85.0106 + -9.6644 180.0000 180.0000 -113.7410 -66.0921 -56.2502 180.0000 -36.4212 + -127.3640 -118.1103 -113.0189 -63.0297 + Initial conformation 315 + 92.2388 92.2388 90.3570 89.0899 88.6572 93.0319 94.8258 87.9664 + 89.9076 100.1805 109.0732 89.5374 91.8151 101.7839 92.2014 133.2247 + 121.5017 117.9501 114.2013 114.2013 + -180.0000 45.8488 55.1936 49.3961 48.2980 46.8430 59.6233 56.6787 + -87.3042 -127.4990 4.2610 66.1079 70.1396 -108.9488 103.8242 -122.5265 + -90.2854 -108.3282 180.0000 0.0000 + 159.4382 151.1634 136.3197 139.5012 127.6994 142.5135 163.8213 137.9948 + 97.2766 180.0000 180.0000 100.6768 147.1182 152.5620 180.0000 147.9044 + 128.7380 123.2198 113.4562 131.8412 + -141.8619 -13.8510 -151.7963 -97.0570 -87.6150 1.1742 -23.8263 -128.4379 + -89.2984 180.0000 180.0000 -146.6614 -89.8253 -29.8282 180.0000 -91.6124 + -135.2756 -130.8996 -106.5982 -75.7364 + Initial conformation 316 + 92.2388 92.2388 90.3570 89.0899 88.6572 93.0319 94.8258 87.9664 + 89.9076 100.1805 109.0732 89.5374 91.8151 101.7839 92.2014 133.2247 + 121.5017 117.9501 114.2013 114.2013 + -180.0000 45.8488 55.1936 49.3961 48.2980 46.8430 59.6233 56.6787 + -87.3042 -127.4990 4.2610 66.1079 70.1396 -108.9488 103.8242 -122.5265 + -90.2854 -108.3282 180.0000 0.0000 + 140.6939 156.1845 145.4201 148.1830 140.3050 159.1466 153.6331 132.5265 + 148.6365 180.0000 180.0000 103.8865 161.4547 95.4435 180.0000 112.6769 + 118.2542 116.1448 117.0261 109.8860 + -166.2101 -83.5167 -163.3936 -107.4911 -99.9562 144.2830 -141.9895 -96.5785 + -128.8963 180.0000 180.0000 -113.7412 -28.8063 -74.3022 180.0000 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114.2013 + -180.0000 45.8488 55.1936 49.3961 48.2980 46.8430 59.6233 56.6787 + -87.3042 -127.4990 4.2610 66.1079 70.1396 -108.9488 103.8242 -122.5265 + -90.2854 -108.3282 180.0000 0.0000 + 150.0748 160.7957 136.6723 142.8767 146.2887 135.7097 156.9328 144.3786 + 143.6556 180.0000 180.0000 104.3475 153.8765 100.9783 180.0000 119.0942 + 129.6850 114.8265 119.0127 111.7050 + -27.8279 -148.8704 -2.4234 -82.7273 -97.9320 -6.5919 -122.4320 -98.5311 + -106.6983 180.0000 180.0000 -97.4304 -41.9841 -77.3950 180.0000 -150.9585 + -145.7494 -119.8691 -118.1047 -62.1850 + Initial conformation 319 + 92.2388 92.2388 90.3570 89.0899 88.6572 93.0319 94.8258 87.9664 + 89.9076 100.1805 109.0732 89.5374 91.8151 101.7839 92.2014 133.2247 + 121.5017 117.9501 114.2013 114.2013 + -180.0000 45.8488 55.1936 49.3961 48.2980 46.8430 59.6233 56.6787 + -87.3042 -127.4990 4.2610 66.1079 70.1396 -108.9488 103.8242 -122.5265 + -90.2854 -108.3282 180.0000 0.0000 + 137.1371 161.3654 150.7735 150.6513 163.8591 153.7694 154.7922 143.6510 + 134.4307 180.0000 180.0000 110.4789 108.7816 147.6529 180.0000 131.1249 + 132.1178 113.7283 115.0279 152.3446 + -163.7103 -6.8238 -4.6788 -77.1151 -2.6183 179.7447 -95.0738 -102.9764 + -88.7159 180.0000 180.0000 -130.4351 -66.1632 -59.6554 180.0000 -84.1463 + -143.0208 -115.9342 -117.3124 -109.6504 + Initial conformation 320 + 92.2388 92.2388 90.3570 89.0899 88.6572 93.0319 94.8258 87.9664 + 89.9076 100.1805 109.0732 89.5374 91.8151 101.7839 92.2014 133.2247 + 121.5017 117.9501 114.2013 114.2013 + -180.0000 45.8488 55.1936 49.3961 48.2980 46.8430 59.6233 56.6787 + -87.3042 -127.4990 4.2610 66.1079 70.1396 -108.9488 103.8242 -122.5265 + -90.2854 -108.3282 180.0000 0.0000 + 138.3235 161.3860 136.2242 133.5294 142.2312 170.7433 153.7185 143.7278 + 135.5852 180.0000 180.0000 101.9164 156.0888 149.6997 180.0000 135.0899 + 130.9895 114.4107 117.2259 91.5595 + -133.6368 -6.9426 179.5930 -72.0291 -107.5562 -173.6827 -145.5145 -123.9155 + -137.6801 180.0000 180.0000 -98.2359 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133.2247 + 121.5017 117.9501 114.2013 114.2013 + -180.0000 45.8488 55.1936 49.3961 48.2980 46.8430 59.6233 56.6787 + -87.3042 -127.4990 4.2610 66.1079 70.1396 -108.9488 103.8242 -122.5265 + -90.2854 -108.3282 180.0000 0.0000 + 152.9220 152.6584 139.3198 157.1187 116.6167 161.6240 154.4912 139.6583 + 127.2946 180.0000 180.0000 92.1502 108.0903 150.1887 180.0000 171.3143 + 120.8082 119.0959 106.4723 151.3817 + -115.8931 -66.5385 -19.4420 -86.5286 -147.7267 4.2021 173.4871 -117.7889 + -103.5147 180.0000 180.0000 -110.5091 -63.6134 -103.7244 180.0000 -82.4337 + -131.6313 -128.0823 -107.5282 -138.5641 + Initial conformation 323 + 92.2388 92.2388 90.3570 89.0899 88.6572 93.0319 94.8258 87.9664 + 89.9076 100.1805 109.0732 89.5374 91.8151 101.7839 92.2014 133.2247 + 121.5017 117.9501 114.2013 114.2013 + -180.0000 45.8488 55.1936 49.3961 48.2980 46.8430 59.6233 56.6787 + -87.3042 -127.4990 4.2610 66.1079 70.1396 -108.9488 103.8242 -122.5265 + -90.2854 -108.3282 180.0000 0.0000 + 128.6896 146.9979 147.1238 136.0273 147.1091 117.0184 164.6708 155.5635 + 111.9687 180.0000 180.0000 98.1528 140.6192 94.2265 180.0000 131.9090 + 115.7410 118.0820 118.6767 143.5152 + -78.2023 -33.6230 -15.3667 -83.3690 -38.9339 -34.4107 -32.6093 -61.8422 + -70.7539 180.0000 180.0000 -95.5842 -129.3625 -59.4950 180.0000 -140.8321 + -114.1707 -121.5413 -124.6118 -66.2399 + Initial conformation 324 + 92.2388 92.2388 90.3570 89.0899 88.6572 93.0319 94.8258 87.9664 + 89.9076 100.1805 109.0732 89.5374 91.8151 101.7839 92.2014 133.2247 + 121.5017 117.9501 114.2013 114.2013 + -180.0000 45.8488 55.1936 49.3961 48.2980 46.8430 59.6233 56.6787 + -87.3042 -127.4990 4.2610 66.1079 70.1396 -108.9488 103.8242 -122.5265 + -90.2854 -108.3282 180.0000 0.0000 + 172.9435 157.6279 149.0963 144.1849 141.1524 137.7076 156.3973 136.5414 + 142.5907 180.0000 180.0000 102.0137 145.5791 92.5800 180.0000 140.8151 + 128.7004 117.4266 118.0323 150.6657 + -2.7710 -174.0025 143.8544 -98.1467 -133.7144 -40.0525 -114.5366 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109.0732 89.5374 91.8151 101.7839 92.2014 133.2247 + 121.5017 117.9501 114.2013 114.2013 + -180.0000 45.8488 55.1936 49.3961 48.2980 46.8430 59.6233 56.6787 + -87.3042 -127.4990 4.2610 66.1079 70.1396 -108.9488 103.8242 -122.5265 + -90.2854 -108.3282 180.0000 0.0000 + 146.8467 154.2382 152.9898 147.1494 155.0097 145.9772 154.4914 134.0468 + 149.1782 180.0000 180.0000 106.1244 110.8768 138.5174 180.0000 119.8307 + 117.1843 121.7387 114.4797 154.7989 + -136.2264 -17.6998 169.8621 -64.4664 -136.4028 -26.6240 -19.4127 -25.5458 + -27.1512 180.0000 180.0000 -148.7415 -76.8000 -114.3838 180.0000 -78.5825 + -123.3529 -134.5923 -114.9050 -88.8719 + Initial conformation 327 + 92.2388 92.2388 90.3570 89.0899 88.6572 93.0319 94.8258 87.9664 + 89.9076 100.1805 109.0732 89.5374 91.8151 101.7839 92.2014 133.2247 + 121.5017 117.9501 114.2013 114.2013 + -180.0000 45.8488 55.1936 49.3961 48.2980 46.8430 59.6233 56.6787 + -87.3042 -127.4990 4.2610 66.1079 70.1396 -108.9488 103.8242 -122.5265 + -90.2854 -108.3282 180.0000 0.0000 + 111.8511 161.3288 141.3337 162.9722 140.1342 168.2484 149.3903 124.7004 + 134.1874 180.0000 180.0000 92.7784 163.5672 140.8302 180.0000 120.6907 + 118.0757 120.3369 124.3732 97.3600 + -88.0108 -120.0336 164.4860 -61.9643 -54.7154 -151.6374 -112.2480 -42.8643 + -76.2835 180.0000 180.0000 -83.7521 -2.8681 -152.7491 180.0000 -114.5266 + -126.9875 -122.0713 -130.0354 -64.7247 + Initial conformation 328 + 92.2388 92.2388 90.3570 89.0899 88.6572 93.0319 94.8258 87.9664 + 89.9076 100.1805 109.0732 89.5374 91.8151 101.7839 92.2014 133.2247 + 121.5017 117.9501 114.2013 114.2013 + -180.0000 45.8488 55.1936 49.3961 48.2980 46.8430 59.6233 56.6787 + -87.3042 -127.4990 4.2610 66.1079 70.1396 -108.9488 103.8242 -122.5265 + -90.2854 -108.3282 180.0000 0.0000 + 144.5888 148.2173 139.8964 148.4440 140.5584 166.2419 159.8314 135.6730 + 126.6144 180.0000 180.0000 88.1253 148.3884 149.5358 180.0000 131.6473 + 111.6836 110.9307 121.7932 92.9348 + -172.9300 -98.4926 151.7127 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94.8258 87.9664 + 89.9076 100.1805 109.0732 89.5374 91.8151 101.7839 92.2014 133.2247 + 121.5017 117.9501 114.2013 114.2013 + -180.0000 45.8488 55.1936 49.3961 48.2980 46.8430 59.6233 56.6787 + -87.3042 -127.4990 4.2610 66.1079 70.1396 -108.9488 103.8242 -122.5265 + -90.2854 -108.3282 180.0000 0.0000 + 143.6817 152.4458 156.4922 136.0412 131.8880 138.5012 162.5947 144.6105 + 155.6013 180.0000 180.0000 102.5444 104.5674 100.1425 180.0000 128.4701 + 127.0228 127.5189 121.2207 99.4572 + -107.9834 -113.5225 -165.0468 -88.4400 -133.5788 21.2124 176.7283 177.2843 + 6.7009 180.0000 180.0000 -119.2576 -69.5952 -52.3795 180.0000 -36.6492 + -141.5629 -131.4552 -126.3986 -68.5702 + Initial conformation 331 + 92.2388 92.2388 90.3570 89.0899 88.6572 93.0319 94.8258 87.9664 + 89.9076 100.1805 109.0732 89.5374 91.8151 101.7839 92.2014 133.2247 + 121.5017 117.9501 114.2013 114.2013 + -180.0000 45.8488 55.1936 49.3961 48.2980 46.8430 59.6233 56.6787 + -87.3042 -127.4990 4.2610 66.1079 70.1396 -108.9488 103.8242 -122.5265 + -90.2854 -108.3282 180.0000 0.0000 + 110.3206 165.7419 136.4078 146.5203 148.4228 106.5375 151.5230 144.7246 + 135.3271 180.0000 180.0000 112.4324 158.6231 136.2194 180.0000 148.0008 + 115.5170 129.5303 118.8910 92.1761 + -100.0716 -34.4667 -10.6439 -52.7316 -62.3387 -65.2379 -141.3243 -85.3986 + -145.6899 180.0000 180.0000 -117.6473 -69.8128 -84.1577 180.0000 -75.3970 + -122.5991 -139.7504 -122.0890 -78.0912 + Initial conformation 332 + 92.2388 92.2388 90.3570 89.0899 88.6572 93.0319 94.8258 87.9664 + 89.9076 100.1805 109.0732 89.5374 91.8151 101.7839 92.2014 133.2247 + 121.5017 117.9501 114.2013 114.2013 + -180.0000 45.8488 55.1936 49.3961 48.2980 46.8430 59.6233 56.6787 + -87.3042 -127.4990 4.2610 66.1079 70.1396 -108.9488 103.8242 -122.5265 + -90.2854 -108.3282 180.0000 0.0000 + 142.1186 156.0563 169.7007 140.7259 135.6352 153.8025 158.6207 132.4192 + 145.2671 180.0000 180.0000 102.0519 157.8395 103.0761 180.0000 163.9268 + 117.4866 118.9881 118.2789 150.3152 + -175.9293 -18.7157 158.1541 -65.1070 -131.8947 -10.9992 1.3548 -136.3694 + -119.8810 180.0000 180.0000 -131.6321 -80.2756 -69.3262 180.0000 -175.6756 + -124.6237 -127.8270 -119.5724 -86.0264 + Initial conformation 333 + 92.2388 92.2388 90.3570 89.0899 88.6572 93.0319 94.8258 87.9664 + 89.9076 100.1805 109.0732 89.5374 91.8151 101.7839 92.2014 133.2247 + 121.5017 117.9501 114.2013 114.2013 + -180.0000 45.8488 55.1936 49.3961 48.2980 46.8430 59.6233 56.6787 + -87.3042 -127.4990 4.2610 66.1079 70.1396 -108.9488 103.8242 -122.5265 + -90.2854 -108.3282 180.0000 0.0000 + 109.8204 153.7776 133.1568 133.1399 145.5289 167.6615 146.0481 136.3947 + 129.4816 180.0000 180.0000 95.2628 100.2493 93.5430 180.0000 146.9961 + 120.3023 119.1620 123.3620 134.8903 + -88.7317 -21.7149 -5.8906 -80.5840 -50.7919 -178.0409 -33.1061 -61.6287 + -75.1342 180.0000 180.0000 -100.0469 -70.7719 -67.6464 180.0000 -66.6037 + -130.6452 -126.9103 -126.0795 -125.2654 + Initial conformation 334 + 92.2388 92.2388 90.3570 89.0899 88.6572 93.0319 94.8258 87.9664 + 89.9076 100.1805 109.0732 89.5374 91.8151 101.7839 92.2014 133.2247 + 121.5017 117.9501 114.2013 114.2013 + -180.0000 45.8488 55.1936 49.3961 48.2980 46.8430 59.6233 56.6787 + -87.3042 -127.4990 4.2610 66.1079 70.1396 -108.9488 103.8242 -122.5265 + -90.2854 -108.3282 180.0000 0.0000 + 129.2534 147.5336 113.4350 133.1392 130.5264 132.7270 159.0133 138.6764 + 127.8377 180.0000 180.0000 95.3326 110.2019 105.4609 180.0000 133.1906 + 127.8722 119.2065 110.8397 155.2995 + -133.9904 -110.3551 -113.3490 -87.8641 -95.6861 -9.7580 -156.5499 -113.8912 + -94.6770 180.0000 180.0000 -117.8020 -75.3116 -64.5038 180.0000 -77.3483 + -139.6665 -121.0790 -108.8306 -168.9846 + Initial conformation 335 + 92.2388 92.2388 90.3570 89.0899 88.6572 93.0319 94.8258 87.9664 + 89.9076 100.1805 109.0732 89.5374 91.8151 101.7839 92.2014 133.2247 + 121.5017 117.9501 114.2013 114.2013 + -180.0000 45.8488 55.1936 49.3961 48.2980 46.8430 59.6233 56.6787 + -87.3042 -127.4990 4.2610 66.1079 70.1396 -108.9488 103.8242 -122.5265 + -90.2854 -108.3282 180.0000 0.0000 + 141.4077 149.1758 126.6524 153.0894 144.2928 126.1882 137.7560 134.1609 + 130.6398 180.0000 180.0000 92.8758 110.1585 106.0051 180.0000 136.8596 + 127.3646 118.4063 131.4978 130.7858 + -134.4371 -120.3677 -16.6626 -83.7044 -115.2539 170.3151 -92.8135 -113.2581 + -113.6988 180.0000 180.0000 -74.3671 -70.2157 -67.3289 180.0000 -116.6346 + -138.4663 -124.4834 -138.7569 -86.3729 + Initial conformation 336 + 92.2388 92.2388 90.3570 89.0899 88.6572 93.0319 94.8258 87.9664 + 89.9076 100.1805 109.0732 89.5374 91.8151 101.7839 92.2014 133.2247 + 121.5017 117.9501 114.2013 114.2013 + -180.0000 45.8488 55.1936 49.3961 48.2980 46.8430 59.6233 56.6787 + -87.3042 -127.4990 4.2610 66.1079 70.1396 -108.9488 103.8242 -122.5265 + -90.2854 -108.3282 180.0000 0.0000 + 162.2471 156.1996 146.3824 139.2135 146.0948 133.0570 157.7320 133.3391 + 141.0942 180.0000 180.0000 97.9958 155.2771 100.4101 180.0000 153.8009 + 125.6447 114.8017 115.9902 151.9027 + -1.2184 -141.5074 -3.5736 -69.9851 162.1031 -20.3046 169.5915 -91.4795 + -50.2645 180.0000 180.0000 -110.4595 -87.1246 -72.5573 180.0000 -140.6477 + -136.2242 -115.8382 -114.8438 23.3986 + Initial conformation 337 + 92.2388 92.2388 90.3570 89.0899 88.6572 93.0319 94.8258 87.9664 + 89.9076 100.1805 109.0732 89.5374 91.8151 101.7839 92.2014 133.2247 + 121.5017 117.9501 114.2013 114.2013 + -180.0000 45.8488 55.1936 49.3961 48.2980 46.8430 59.6233 56.6787 + -87.3042 -127.4990 4.2610 66.1079 70.1396 -108.9488 103.8242 -122.5265 + -90.2854 -108.3282 180.0000 0.0000 + 147.3945 152.7847 122.6111 134.4427 122.1264 138.0417 169.7777 166.5411 + 130.1764 180.0000 180.0000 93.1970 144.1005 166.3615 180.0000 130.7513 + 137.6988 118.5259 118.8666 131.6229 + -140.9097 -99.9728 -116.9956 -79.0184 -99.3550 173.4408 -137.9287 -84.6095 + -99.3556 180.0000 180.0000 -115.6669 15.6904 -70.2886 180.0000 -5.3867 + -154.2436 -125.8821 -120.6064 -40.5977 + Initial conformation 338 + 92.2388 92.2388 90.3570 89.0899 88.6572 93.0319 94.8258 87.9664 + 89.9076 100.1805 109.0732 89.5374 91.8151 101.7839 92.2014 133.2247 + 121.5017 117.9501 114.2013 114.2013 + -180.0000 45.8488 55.1936 49.3961 48.2980 46.8430 59.6233 56.6787 + -87.3042 -127.4990 4.2610 66.1079 70.1396 -108.9488 103.8242 -122.5265 + -90.2854 -108.3282 180.0000 0.0000 + 159.8422 152.4715 139.0699 137.8103 138.6642 148.7393 160.9846 148.9019 + 156.7321 180.0000 180.0000 102.8257 99.9345 153.5682 180.0000 140.1108 + 121.2699 110.7685 121.9179 96.3815 + -47.3255 -135.5762 -12.4530 -53.9271 -134.6422 -44.8203 -129.5248 -168.0394 + -125.1369 180.0000 180.0000 -123.4497 -68.2091 -45.9944 180.0000 -146.7286 + -126.9178 -120.4785 -127.4958 -59.4009 + Initial conformation 339 + 92.2388 92.2388 90.3570 89.0899 88.6572 93.0319 94.8258 87.9664 + 89.9076 100.1805 109.0732 89.5374 91.8151 101.7839 92.2014 133.2247 + 121.5017 117.9501 114.2013 114.2013 + -180.0000 45.8488 55.1936 49.3961 48.2980 46.8430 59.6233 56.6787 + -87.3042 -127.4990 4.2610 66.1079 70.1396 -108.9488 103.8242 -122.5265 + -90.2854 -108.3282 180.0000 0.0000 + 121.0032 162.9621 159.1429 140.9585 152.5034 121.7685 165.2347 141.2467 + 136.3029 180.0000 180.0000 99.1967 139.3407 147.5525 180.0000 132.5214 + 122.7182 116.5135 119.9565 129.5225 + -79.1681 -91.2179 -166.6390 -70.7094 -128.0585 -30.2096 -4.9826 -103.8442 + -88.3733 180.0000 180.0000 -127.5370 -62.7101 -145.4844 180.0000 -121.0692 + -126.1048 -121.9600 -117.9577 -66.7798 + Initial conformation 340 + 92.2388 92.2388 90.3570 89.0899 88.6572 93.0319 94.8258 87.9664 + 89.9076 100.1805 109.0732 89.5374 91.8151 101.7839 92.2014 133.2247 + 121.5017 117.9501 114.2013 114.2013 + -180.0000 45.8488 55.1936 49.3961 48.2980 46.8430 59.6233 56.6787 + -87.3042 -127.4990 4.2610 66.1079 70.1396 -108.9488 103.8242 -122.5265 + -90.2854 -108.3282 180.0000 0.0000 + 144.5251 151.9097 135.9889 140.6164 142.4910 120.1106 154.0650 140.5924 + 141.7926 180.0000 180.0000 100.6654 95.5122 97.4692 180.0000 142.1921 + 124.7301 127.3379 124.9384 139.2065 + -13.7374 -34.3305 1.4895 -96.4445 -159.1573 16.9191 -109.2716 -155.2923 + -159.3924 180.0000 180.0000 -98.6300 -57.6558 -66.9495 180.0000 -49.8431 + -134.4127 -137.6977 -129.4155 -22.2494 + Initial conformation 341 + 92.2388 92.2388 90.3570 89.0899 88.6572 93.0319 94.8258 87.9664 + 89.9076 100.1805 109.0732 89.5374 91.8151 101.7839 92.2014 133.2247 + 121.5017 117.9501 114.2013 114.2013 + -180.0000 45.8488 55.1936 49.3961 48.2980 46.8430 59.6233 56.6787 + -87.3042 -127.4990 4.2610 66.1079 70.1396 -108.9488 103.8242 -122.5265 + -90.2854 -108.3282 180.0000 0.0000 + 154.8095 143.1530 134.0542 142.1378 137.1338 156.6191 138.3066 154.3735 + 135.0921 180.0000 180.0000 109.6112 148.3023 140.5267 180.0000 151.5884 + 120.2565 114.5274 116.7626 145.5453 + -9.3711 -110.7901 -3.7521 -106.0076 121.6270 174.4749 -103.7271 -86.1768 + -110.6249 180.0000 180.0000 -115.4706 -113.8454 -8.0838 180.0000 -97.7574 + -132.7823 -118.8768 -120.7561 -50.3880 + Initial conformation 342 + 92.2388 92.2388 90.3570 89.0899 88.6572 93.0319 94.8258 87.9664 + 89.9076 100.1805 109.0732 89.5374 91.8151 101.7839 92.2014 133.2247 + 121.5017 117.9501 114.2013 114.2013 + -180.0000 45.8488 55.1936 49.3961 48.2980 46.8430 59.6233 56.6787 + -87.3042 -127.4990 4.2610 66.1079 70.1396 -108.9488 103.8242 -122.5265 + -90.2854 -108.3282 180.0000 0.0000 + 135.3824 133.8406 128.6150 140.0810 129.6091 159.9911 138.8131 123.6713 + 135.9317 180.0000 180.0000 87.1164 159.2404 145.0887 180.0000 123.6611 + 122.1139 120.0905 128.6918 95.7569 + -98.8578 -174.2322 -7.4832 -84.4382 -93.5999 179.1695 -101.0185 -78.2918 + -90.8062 180.0000 180.0000 -111.5452 -81.3581 -94.1702 180.0000 -110.5595 + -133.2886 -126.9647 -133.7426 -60.0966 + Initial conformation 343 + 92.2388 92.2388 90.3570 89.0899 88.6572 93.0319 94.8258 87.9664 + 89.9076 100.1805 109.0732 89.5374 91.8151 101.7839 92.2014 133.2247 + 121.5017 117.9501 114.2013 114.2013 + -180.0000 45.8488 55.1936 49.3961 48.2980 46.8430 59.6233 56.6787 + -87.3042 -127.4990 4.2610 66.1079 70.1396 -108.9488 103.8242 -122.5265 + -90.2854 -108.3282 180.0000 0.0000 + 153.3656 170.6269 136.5121 125.8362 119.9251 163.5307 160.9220 139.2255 + 120.1515 180.0000 180.0000 100.0292 145.7536 100.3306 180.0000 132.6239 + 119.0216 122.8554 129.4317 158.7209 + -104.5920 -141.7087 -33.1810 -78.6192 -69.6178 -165.9957 -128.3510 -130.4837 + -80.0775 180.0000 180.0000 -120.0980 -42.6853 -72.6797 180.0000 -101.2238 + -132.9910 -132.6632 -123.6086 -21.6318 + Initial conformation 344 + 92.2388 92.2388 90.3570 89.0899 88.6572 93.0319 94.8258 87.9664 + 89.9076 100.1805 109.0732 89.5374 91.8151 101.7839 92.2014 133.2247 + 121.5017 117.9501 114.2013 114.2013 + -180.0000 45.8488 55.1936 49.3961 48.2980 46.8430 59.6233 56.6787 + -87.3042 -127.4990 4.2610 66.1079 70.1396 -108.9488 103.8242 -122.5265 + -90.2854 -108.3282 180.0000 0.0000 + 157.6197 152.6568 129.1857 122.8529 135.6642 161.1879 143.9775 140.8874 + 133.0451 180.0000 180.0000 109.8046 111.4010 125.4155 180.0000 146.4145 + 122.3107 121.7564 109.6212 130.9521 + -131.1146 -134.8467 -0.6385 -83.8339 -136.1605 169.5933 -12.9830 -95.9969 + -126.9104 180.0000 180.0000 -115.1306 -79.2210 -94.3587 180.0000 175.2962 + -131.7029 -128.5918 -108.5708 -109.5890 + Initial conformation 345 + 92.2388 92.2388 90.3570 89.0899 88.6572 93.0319 94.8258 87.9664 + 89.9076 100.1805 109.0732 89.5374 91.8151 101.7839 92.2014 133.2247 + 121.5017 117.9501 114.2013 114.2013 + -180.0000 45.8488 55.1936 49.3961 48.2980 46.8430 59.6233 56.6787 + -87.3042 -127.4990 4.2610 66.1079 70.1396 -108.9488 103.8242 -122.5265 + -90.2854 -108.3282 180.0000 0.0000 + 116.4813 141.9138 141.0419 136.2389 140.1594 137.4127 172.1065 150.4247 + 155.6718 180.0000 180.0000 98.1110 144.3602 157.6319 180.0000 142.2919 + 119.6869 130.1231 117.7721 144.1720 + -80.0919 -26.2453 -11.1109 -82.3700 -138.0756 -1.3305 153.6152 -85.3355 + -149.7017 180.0000 180.0000 -112.7553 -71.2527 -81.9156 180.0000 -143.4925 + -124.7562 -137.8380 -132.1958 -39.6202 + Initial conformation 346 + 92.2388 92.2388 90.3570 89.0899 88.6572 93.0319 94.8258 87.9664 + 89.9076 100.1805 109.0732 89.5374 91.8151 101.7839 92.2014 133.2247 + 121.5017 117.9501 114.2013 114.2013 + -180.0000 45.8488 55.1936 49.3961 48.2980 46.8430 59.6233 56.6787 + -87.3042 -127.4990 4.2610 66.1079 70.1396 -108.9488 103.8242 -122.5265 + -90.2854 -108.3282 180.0000 0.0000 + 150.6274 154.9802 126.4315 137.9259 123.2479 165.6880 157.4095 140.9940 + 126.0452 180.0000 180.0000 94.6109 105.1092 93.5309 180.0000 158.0003 + 116.6315 130.3427 123.4354 109.7507 + -135.0281 -154.8311 -8.0939 -72.8413 -47.4129 168.3236 -22.2770 -81.7424 + -115.2534 180.0000 180.0000 -105.3215 -67.6833 -58.6043 180.0000 -94.9556 + -119.7905 -133.4782 -120.1442 -68.2352 + Initial conformation 347 + 92.2388 92.2388 90.3570 89.0899 88.6572 93.0319 94.8258 87.9664 + 89.9076 100.1805 109.0732 89.5374 91.8151 101.7839 92.2014 133.2247 + 121.5017 117.9501 114.2013 114.2013 + -180.0000 45.8488 55.1936 49.3961 48.2980 46.8430 59.6233 56.6787 + -87.3042 -127.4990 4.2610 66.1079 70.1396 -108.9488 103.8242 -122.5265 + -90.2854 -108.3282 180.0000 0.0000 + 153.5030 147.6110 128.8810 146.5738 140.7456 133.1296 155.3763 144.5281 + 138.9126 180.0000 180.0000 110.4884 171.8548 100.8374 180.0000 163.7148 + 128.9821 132.1806 114.9017 127.7050 + -11.6175 -47.4768 -9.5746 -67.7411 -69.5288 -17.6885 -27.4647 -160.7105 + -89.2209 180.0000 180.0000 -117.6724 -82.4795 -57.2155 180.0000 -65.8560 + -134.7859 -141.0032 -114.9042 -100.7694 + Initial conformation 348 + 92.2388 92.2388 90.3570 89.0899 88.6572 93.0319 94.8258 87.9664 + 89.9076 100.1805 109.0732 89.5374 91.8151 101.7839 92.2014 133.2247 + 121.5017 117.9501 114.2013 114.2013 + -180.0000 45.8488 55.1936 49.3961 48.2980 46.8430 59.6233 56.6787 + -87.3042 -127.4990 4.2610 66.1079 70.1396 -108.9488 103.8242 -122.5265 + -90.2854 -108.3282 180.0000 0.0000 + 154.3188 157.5927 129.1682 145.9431 134.2821 165.9674 153.4174 131.9135 + 154.5663 180.0000 180.0000 107.3125 149.6783 160.7564 180.0000 111.5188 + 117.2349 118.5168 129.3532 147.6444 + -148.3988 -31.1936 -15.2427 -69.0221 -120.2337 8.7566 -93.8514 -56.3140 + -11.4240 180.0000 180.0000 -120.6806 -0.0840 -97.8339 180.0000 -99.2841 + -120.7702 -122.3476 -138.0110 -128.5881 + Initial conformation 349 + 92.2388 92.2388 90.3570 89.0899 88.6572 93.0319 94.8258 87.9664 + 89.9076 100.1805 109.0732 89.5374 91.8151 101.7839 92.2014 133.2247 + 121.5017 117.9501 114.2013 114.2013 + -180.0000 45.8488 55.1936 49.3961 48.2980 46.8430 59.6233 56.6787 + -87.3042 -127.4990 4.2610 66.1079 70.1396 -108.9488 103.8242 -122.5265 + -90.2854 -108.3282 180.0000 0.0000 + 138.3388 152.6420 138.8999 140.5344 138.4730 109.5028 154.7824 140.9993 + 139.8751 180.0000 180.0000 98.3929 113.2831 105.2449 180.0000 119.9608 + 113.3597 118.6995 114.9989 159.9252 + -138.7604 -17.2417 -146.1690 -89.2159 -91.0918 -102.5336 -162.2543 -146.2183 + -121.5777 180.0000 180.0000 -112.3683 -69.2625 -63.4484 180.0000 -71.7684 + -128.0169 -120.9569 -108.6567 -169.3726 + Initial conformation 350 + 92.2388 92.2388 90.3570 89.0899 88.6572 93.0319 94.8258 87.9664 + 89.9076 100.1805 109.0732 89.5374 91.8151 101.7839 92.2014 133.2247 + 121.5017 117.9501 114.2013 114.2013 + -180.0000 45.8488 55.1936 49.3961 48.2980 46.8430 59.6233 56.6787 + -87.3042 -127.4990 4.2610 66.1079 70.1396 -108.9488 103.8242 -122.5265 + -90.2854 -108.3282 180.0000 0.0000 + 116.2323 164.7773 152.0571 134.4519 147.2316 135.9753 161.5085 130.2487 + 138.1992 180.0000 180.0000 98.9246 145.9892 101.4742 180.0000 167.9564 + 117.9016 126.6212 119.0646 84.6206 + -83.7279 -128.1921 -5.9078 -89.4040 -118.9302 19.4978 -145.7864 -87.8239 + -135.6951 180.0000 180.0000 -127.0212 -95.6555 -78.3629 180.0000 -100.0324 + -119.7075 -127.4041 -125.8539 -72.9775 + Initial conformation 351 + 92.2388 92.2388 90.3570 89.0899 88.6572 93.0319 94.8258 87.9664 + 89.9076 100.1805 109.0732 89.5374 91.8151 101.7839 92.2014 133.2247 + 121.5017 117.9501 114.2013 114.2013 + -180.0000 45.8488 55.1936 49.3961 48.2980 46.8430 59.6233 56.6787 + -87.3042 -127.4990 4.2610 66.1079 70.1396 -108.9488 103.8242 -122.5265 + -90.2854 -108.3282 180.0000 0.0000 + 141.1083 154.5035 139.8240 138.3407 168.9022 146.3065 152.4835 128.7665 + 112.9231 180.0000 180.0000 100.8356 102.1611 149.7592 180.0000 133.4132 + 115.7730 123.5572 126.8603 93.7406 + -134.2899 -8.5007 168.3091 -79.1905 152.0408 168.2046 -114.3911 -79.9704 + -80.1497 180.0000 180.0000 -128.6884 -67.5771 -34.9171 180.0000 -85.6002 + -120.7231 -131.0217 -133.9437 -80.6703 + Initial conformation 352 + 92.2388 92.2388 90.3570 89.0899 88.6572 93.0319 94.8258 87.9664 + 89.9076 100.1805 109.0732 89.5374 91.8151 101.7839 92.2014 133.2247 + 121.5017 117.9501 114.2013 114.2013 + -180.0000 45.8488 55.1936 49.3961 48.2980 46.8430 59.6233 56.6787 + -87.3042 -127.4990 4.2610 66.1079 70.1396 -108.9488 103.8242 -122.5265 + -90.2854 -108.3282 180.0000 0.0000 + 137.7730 165.4603 153.1753 130.6616 133.1222 153.2168 151.7205 147.8051 + 146.0893 180.0000 180.0000 95.4070 118.0229 155.1573 180.0000 140.3731 + 126.0352 119.2867 119.1828 139.3769 + -137.5860 -133.4361 167.0407 -97.5331 -55.1066 154.3722 -31.8735 -111.6676 + -151.7555 180.0000 180.0000 -99.9199 -65.5403 -34.8030 180.0000 -140.4476 + -143.8680 -129.0343 -125.1749 -43.0943 + Initial conformation 353 + 92.2388 92.2388 90.3570 89.0899 88.6572 93.0319 94.8258 87.9664 + 89.9076 100.1805 109.0732 89.5374 91.8151 101.7839 92.2014 133.2247 + 121.5017 117.9501 114.2013 114.2013 + -180.0000 45.8488 55.1936 49.3961 48.2980 46.8430 59.6233 56.6787 + -87.3042 -127.4990 4.2610 66.1079 70.1396 -108.9488 103.8242 -122.5265 + -90.2854 -108.3282 180.0000 0.0000 + 141.6364 165.0647 135.6575 141.4065 124.6428 166.7645 146.2430 130.8454 + 142.2746 180.0000 180.0000 91.8696 105.2766 137.1420 180.0000 129.1071 + 128.5584 116.3702 129.5069 132.6517 + -119.4804 173.0710 -12.4949 -100.4536 -102.6196 156.4912 -125.3769 -95.7903 + -88.5531 180.0000 180.0000 -104.2446 -62.3521 -14.1545 180.0000 -95.5277 + -138.7106 -122.8036 -141.2484 -30.6888 + Initial conformation 354 + 92.2388 92.2388 90.3570 89.0899 88.6572 93.0319 94.8258 87.9664 + 89.9076 100.1805 109.0732 89.5374 91.8151 101.7839 92.2014 133.2247 + 121.5017 117.9501 114.2013 114.2013 + -180.0000 45.8488 55.1936 49.3961 48.2980 46.8430 59.6233 56.6787 + -87.3042 -127.4990 4.2610 66.1079 70.1396 -108.9488 103.8242 -122.5265 + -90.2854 -108.3282 180.0000 0.0000 + 163.5285 147.1770 145.4071 127.6266 148.0007 150.2023 161.2441 136.8720 + 151.4684 180.0000 180.0000 97.0214 103.0581 111.2790 180.0000 145.6387 + 122.3005 121.7090 123.3774 100.2703 + -115.6754 -13.5649 -5.9633 -74.0015 112.6189 -156.9928 178.3392 -148.4694 + -119.3815 180.0000 180.0000 -117.4198 -68.2540 -63.2105 180.0000 -34.2091 + -133.6233 -128.6215 -134.4082 -62.6010 + Initial conformation 355 + 92.2388 92.2388 90.3570 89.0899 88.6572 93.0319 94.8258 87.9664 + 89.9076 100.1805 109.0732 89.5374 91.8151 101.7839 92.2014 133.2247 + 121.5017 117.9501 114.2013 114.2013 + -180.0000 45.8488 55.1936 49.3961 48.2980 46.8430 59.6233 56.6787 + -87.3042 -127.4990 4.2610 66.1079 70.1396 -108.9488 103.8242 -122.5265 + -90.2854 -108.3282 180.0000 0.0000 + 144.7670 147.6759 143.3094 139.8582 175.1779 146.9078 156.2850 143.2700 + 148.6505 180.0000 180.0000 103.8843 135.5583 132.2370 180.0000 119.4636 + 116.1340 111.6850 118.8385 103.8581 + -133.5523 -104.6142 -4.3953 -65.7345 92.6294 145.7768 -116.5045 -139.2320 + -112.6987 180.0000 180.0000 -99.6602 -131.3410 -55.5252 180.0000 -46.9428 + -124.4798 -117.8245 -117.0130 -72.5676 + Initial conformation 356 + 92.2388 92.2388 90.3570 89.0899 88.6572 93.0319 94.8258 87.9664 + 89.9076 100.1805 109.0732 89.5374 91.8151 101.7839 92.2014 133.2247 + 121.5017 117.9501 114.2013 114.2013 + -180.0000 45.8488 55.1936 49.3961 48.2980 46.8430 59.6233 56.6787 + -87.3042 -127.4990 4.2610 66.1079 70.1396 -108.9488 103.8242 -122.5265 + -90.2854 -108.3282 180.0000 0.0000 + 142.4890 138.3269 151.3630 137.7861 137.2071 169.1257 162.3266 128.1370 + 115.1933 180.0000 180.0000 95.2907 113.2265 113.5641 180.0000 102.9108 + 127.9325 118.3139 116.0306 146.7958 + -107.8879 -54.5344 175.6471 -90.3749 -122.9504 -141.2057 -115.0812 -46.8422 + -83.6751 180.0000 180.0000 -108.5538 -46.7151 -65.5089 180.0000 -33.8540 + -129.5517 -120.6248 -119.9030 -84.9047 + Initial conformation 357 + 92.2388 92.2388 90.3570 89.0899 88.6572 93.0319 94.8258 87.9664 + 89.9076 100.1805 109.0732 89.5374 91.8151 101.7839 92.2014 133.2247 + 121.5017 117.9501 114.2013 114.2013 + -180.0000 45.8488 55.1936 49.3961 48.2980 46.8430 59.6233 56.6787 + -87.3042 -127.4990 4.2610 66.1079 70.1396 -108.9488 103.8242 -122.5265 + -90.2854 -108.3282 180.0000 0.0000 + 155.2058 167.9584 153.3672 129.3065 126.2756 165.0640 154.7729 173.9681 + 128.2025 180.0000 180.0000 98.3510 141.7880 99.5722 180.0000 140.5433 + 117.0924 119.4583 121.8011 135.4879 + -170.4559 -114.8094 -163.9657 -72.0530 38.5294 134.5023 175.2584 -129.0739 + -101.8520 180.0000 180.0000 -110.4969 -95.4475 -61.8531 180.0000 -164.1295 + -125.2750 -124.8926 -127.9765 -43.7011 + Initial conformation 358 + 92.2388 92.2388 90.3570 89.0899 88.6572 93.0319 94.8258 87.9664 + 89.9076 100.1805 109.0732 89.5374 91.8151 101.7839 92.2014 133.2247 + 121.5017 117.9501 114.2013 114.2013 + -180.0000 45.8488 55.1936 49.3961 48.2980 46.8430 59.6233 56.6787 + -87.3042 -127.4990 4.2610 66.1079 70.1396 -108.9488 103.8242 -122.5265 + -90.2854 -108.3282 180.0000 0.0000 + 144.7051 160.9908 131.4051 139.2024 132.2730 104.0489 156.2012 118.1912 + 149.8383 180.0000 180.0000 108.6077 147.8509 160.7526 180.0000 130.5050 + 129.2739 125.5048 116.3253 105.0703 + -129.6903 -102.2119 -153.2701 -76.4257 -115.1436 -97.8229 -111.3550 -37.2189 + -120.8630 180.0000 180.0000 -115.3235 11.9793 -89.0550 180.0000 25.0415 + -140.6524 -137.6339 -118.9547 -69.4202 + Initial conformation 359 + 92.2388 92.2388 90.3570 89.0899 88.6572 93.0319 94.8258 87.9664 + 89.9076 100.1805 109.0732 89.5374 91.8151 101.7839 92.2014 133.2247 + 121.5017 117.9501 114.2013 114.2013 + -180.0000 45.8488 55.1936 49.3961 48.2980 46.8430 59.6233 56.6787 + -87.3042 -127.4990 4.2610 66.1079 70.1396 -108.9488 103.8242 -122.5265 + -90.2854 -108.3282 180.0000 0.0000 + 148.7611 157.7816 141.6864 131.8213 133.0870 156.5934 150.8033 132.6406 + 156.8566 180.0000 180.0000 101.6126 144.8398 154.8375 180.0000 164.6039 + 128.0987 126.2492 116.8861 144.5864 + -152.9770 -94.2043 -19.8063 -79.2364 -106.4201 176.9260 -22.0706 -46.4959 + -9.9018 180.0000 180.0000 -113.7079 -82.5676 -50.8549 180.0000 -68.3107 + -143.8916 -139.7164 -125.6528 -140.1476 + Initial conformation 360 + 92.2388 92.2388 90.3570 89.0899 88.6572 93.0319 94.8258 87.9664 + 89.9076 100.1805 109.0732 89.5374 91.8151 101.7839 92.2014 133.2247 + 121.5017 117.9501 114.2013 114.2013 + -180.0000 45.8488 55.1936 49.3961 48.2980 46.8430 59.6233 56.6787 + -87.3042 -127.4990 4.2610 66.1079 70.1396 -108.9488 103.8242 -122.5265 + -90.2854 -108.3282 180.0000 0.0000 + 142.8679 158.7252 163.6202 140.8752 159.3986 153.2326 152.9464 145.8804 + 142.5675 180.0000 180.0000 104.3040 164.4336 152.7361 180.0000 131.5265 + 122.2068 123.2964 126.8972 89.2217 + -35.2894 -25.8271 -176.4715 -78.7736 -45.1090 31.6755 -136.6303 -53.4126 + -140.6933 180.0000 180.0000 -99.5464 -40.5694 -112.3147 180.0000 -88.9524 + -128.9067 -136.9116 -126.3123 -63.6742 + Initial conformation 361 + 92.2388 92.2388 90.3570 89.0899 88.6572 93.0319 94.8258 87.9664 + 89.9076 100.1805 109.0732 89.5374 91.8151 101.7839 92.2014 133.2247 + 121.5017 117.9501 114.2013 114.2013 + -180.0000 45.8488 55.1936 49.3961 48.2980 46.8430 59.6233 56.6787 + -87.3042 -127.4990 4.2610 66.1079 70.1396 -108.9488 103.8242 -122.5265 + -90.2854 -108.3282 180.0000 0.0000 + 147.7130 161.8248 130.5960 144.6918 144.8040 151.9900 161.6675 125.0962 + 139.4196 180.0000 180.0000 100.5457 106.3501 100.9540 180.0000 133.5055 + 124.1530 120.7775 121.4246 140.4809 + 172.4956 -115.7447 -7.9445 -75.5949 -138.3404 -12.0600 -119.3062 -16.0424 + -89.4153 180.0000 180.0000 -115.6327 -66.0060 -74.7061 180.0000 153.4115 + -140.0791 -130.1244 -135.1751 -101.1963 + Initial conformation 362 + 92.2388 92.2388 90.3570 89.0899 88.6572 93.0319 94.8258 87.9664 + 89.9076 100.1805 109.0732 89.5374 91.8151 101.7839 92.2014 133.2247 + 121.5017 117.9501 114.2013 114.2013 + -180.0000 45.8488 55.1936 49.3961 48.2980 46.8430 59.6233 56.6787 + -87.3042 -127.4990 4.2610 66.1079 70.1396 -108.9488 103.8242 -122.5265 + -90.2854 -108.3282 180.0000 0.0000 + 143.9503 157.4611 146.6084 140.2255 147.4051 124.5037 163.5969 154.0808 + 150.9686 180.0000 180.0000 99.7532 160.1752 137.8298 180.0000 143.7563 + 132.9358 119.5331 117.8422 143.7887 + -19.8658 -21.7073 137.5757 -87.3005 -96.9005 -14.3474 -16.8236 -38.8098 + -108.4151 180.0000 180.0000 -116.4214 -60.3075 165.3643 180.0000 -35.1725 + -145.3386 -121.9169 -122.0641 -95.7537 + Initial conformation 363 + 92.2388 92.2388 90.3570 89.0899 88.6572 93.0319 94.8258 87.9664 + 89.9076 100.1805 109.0732 89.5374 91.8151 101.7839 92.2014 133.2247 + 121.5017 117.9501 114.2013 114.2013 + -180.0000 45.8488 55.1936 49.3961 48.2980 46.8430 59.6233 56.6787 + -87.3042 -127.4990 4.2610 66.1079 70.1396 -108.9488 103.8242 -122.5265 + -90.2854 -108.3282 180.0000 0.0000 + 135.5819 157.7329 128.5948 147.0698 162.3422 146.6867 144.1663 149.8254 + 150.2585 180.0000 180.0000 101.4740 121.3620 105.7950 180.0000 111.4526 + 123.7120 129.0037 124.5903 148.4300 + -112.4389 -26.5591 -11.1238 -88.8992 -110.6828 166.4002 -125.2672 -58.2295 + -120.7215 180.0000 180.0000 -107.3978 -67.7116 -65.1289 180.0000 -79.4207 + -132.0592 -134.0158 -125.0988 -137.5326 + Initial conformation 364 + 92.2388 92.2388 90.3570 89.0899 88.6572 93.0319 94.8258 87.9664 + 89.9076 100.1805 109.0732 89.5374 91.8151 101.7839 92.2014 133.2247 + 121.5017 117.9501 114.2013 114.2013 + -180.0000 45.8488 55.1936 49.3961 48.2980 46.8430 59.6233 56.6787 + -87.3042 -127.4990 4.2610 66.1079 70.1396 -108.9488 103.8242 -122.5265 + -90.2854 -108.3282 180.0000 0.0000 + 151.9956 146.9502 138.3334 134.5099 150.7020 123.1262 151.8609 125.1422 + 137.1778 180.0000 180.0000 92.4382 131.4449 110.6328 180.0000 109.6454 + 126.3546 123.7958 125.0100 151.9489 + 31.8957 -107.1343 -24.4215 -90.6022 -146.0291 -37.9677 -6.0542 -59.9244 + -78.5127 180.0000 180.0000 -114.8249 -82.0667 -67.5313 180.0000 -4.8473 + -133.7866 -124.0049 -124.8582 -83.6902 + Initial conformation 365 + 92.2388 92.2388 90.3570 89.0899 88.6572 93.0319 94.8258 87.9664 + 89.9076 100.1805 109.0732 89.5374 91.8151 101.7839 92.2014 133.2247 + 121.5017 117.9501 114.2013 114.2013 + -180.0000 45.8488 55.1936 49.3961 48.2980 46.8430 59.6233 56.6787 + -87.3042 -127.4990 4.2610 66.1079 70.1396 -108.9488 103.8242 -122.5265 + -90.2854 -108.3282 180.0000 0.0000 + 157.7144 156.4801 149.5411 131.7866 126.6207 164.0322 151.9481 146.0262 + 134.9159 180.0000 180.0000 98.5694 150.8630 101.9082 180.0000 135.2832 + 130.6136 127.2817 119.5814 141.6461 + -9.8213 -139.1140 -157.7781 -89.6767 -100.6664 3.8108 -132.5052 -78.8229 + -116.3971 180.0000 180.0000 -104.2868 -68.9185 -68.8710 180.0000 154.3353 + -143.2395 -135.7301 -121.5160 -115.6104 + Initial conformation 366 + 92.2388 92.2388 90.3570 89.0899 88.6572 93.0319 94.8258 87.9664 + 89.9076 100.1805 109.0732 89.5374 91.8151 101.7839 92.2014 133.2247 + 121.5017 117.9501 114.2013 114.2013 + -180.0000 45.8488 55.1936 49.3961 48.2980 46.8430 59.6233 56.6787 + -87.3042 -127.4990 4.2610 66.1079 70.1396 -108.9488 103.8242 -122.5265 + -90.2854 -108.3282 180.0000 0.0000 + 144.1665 162.8957 147.4452 148.6386 150.2556 145.1914 151.9217 143.1444 + 124.9236 180.0000 180.0000 104.6750 106.1314 154.0573 180.0000 155.7180 + 123.4217 122.1822 115.9513 140.6110 + -134.7777 -105.7606 -167.3866 -59.6260 -106.0966 16.7431 -130.9349 -56.2028 + -112.0117 180.0000 180.0000 -122.7895 -63.4948 -42.2154 180.0000 -52.7193 + -134.3479 -129.1253 -120.9906 -21.5057 + Initial conformation 367 + 92.2388 92.2388 90.3570 89.0899 88.6572 93.0319 94.8258 87.9664 + 89.9076 100.1805 109.0732 89.5374 91.8151 101.7839 92.2014 133.2247 + 121.5017 117.9501 114.2013 114.2013 + -180.0000 45.8488 55.1936 49.3961 48.2980 46.8430 59.6233 56.6787 + -87.3042 -127.4990 4.2610 66.1079 70.1396 -108.9488 103.8242 -122.5265 + -90.2854 -108.3282 180.0000 0.0000 + 131.1212 141.7304 125.2889 140.5142 146.5023 112.2636 170.7710 156.8400 + 135.1476 180.0000 180.0000 94.8193 160.0491 94.9319 180.0000 108.7863 + 124.7525 124.7737 114.6187 163.1264 + -141.1205 -106.2799 -172.9804 -86.4457 2.6956 -61.0482 -112.9097 172.8370 + -91.5086 180.0000 180.0000 -105.0081 -111.7895 -77.9596 180.0000 -40.8356 + -135.0554 -134.0757 -119.2283 -107.3421 + Initial conformation 368 + 92.2388 92.2388 90.3570 89.0899 88.6572 93.0319 94.8258 87.9664 + 89.9076 100.1805 109.0732 89.5374 91.8151 101.7839 92.2014 133.2247 + 121.5017 117.9501 114.2013 114.2013 + -180.0000 45.8488 55.1936 49.3961 48.2980 46.8430 59.6233 56.6787 + -87.3042 -127.4990 4.2610 66.1079 70.1396 -108.9488 103.8242 -122.5265 + -90.2854 -108.3282 180.0000 0.0000 + 154.5795 157.8176 136.7697 129.3606 155.9587 168.3514 156.3309 140.9293 + 150.7200 180.0000 180.0000 108.9366 112.3661 142.8152 180.0000 109.6627 + 122.5217 133.1701 119.5197 92.8768 + -9.6225 -5.8189 -5.6593 -90.5199 149.5225 176.0036 -135.2192 -81.3281 + -32.4827 180.0000 180.0000 -116.4038 -68.0446 -58.6336 180.0000 -31.8932 + -127.6456 -136.7555 -124.7958 -68.3238 + Initial conformation 369 + 92.2388 92.2388 90.3570 89.0899 88.6572 93.0319 94.8258 87.9664 + 89.9076 100.1805 109.0732 89.5374 91.8151 101.7839 92.2014 133.2247 + 121.5017 117.9501 114.2013 114.2013 + -180.0000 45.8488 55.1936 49.3961 48.2980 46.8430 59.6233 56.6787 + -87.3042 -127.4990 4.2610 66.1079 70.1396 -108.9488 103.8242 -122.5265 + -90.2854 -108.3282 180.0000 0.0000 + 141.5765 152.7104 136.9711 140.2906 142.7951 133.3213 155.8105 141.2797 + 135.8691 180.0000 180.0000 107.9727 154.0686 146.8894 180.0000 172.6593 + 118.6966 113.5965 114.3698 100.9824 + -118.4623 -126.1532 -174.2202 -99.2269 -137.0724 -42.8189 -122.8615 -87.3772 + -128.4538 180.0000 180.0000 -107.3895 -95.7083 -24.3781 180.0000 -179.4383 + -126.5948 -114.4259 -118.1972 -64.3501 + Initial conformation 370 + 92.2388 92.2388 90.3570 89.0899 88.6572 93.0319 94.8258 87.9664 + 89.9076 100.1805 109.0732 89.5374 91.8151 101.7839 92.2014 133.2247 + 121.5017 117.9501 114.2013 114.2013 + -180.0000 45.8488 55.1936 49.3961 48.2980 46.8430 59.6233 56.6787 + -87.3042 -127.4990 4.2610 66.1079 70.1396 -108.9488 103.8242 -122.5265 + -90.2854 -108.3282 180.0000 0.0000 + 129.6211 139.9983 116.6145 144.7979 139.1605 158.4979 153.9530 148.9837 + 148.6999 180.0000 180.0000 100.3997 140.8045 154.0686 180.0000 97.8585 + 117.2378 119.4134 122.8092 85.8065 + -136.8647 -136.2635 -21.3432 -80.1258 -101.2800 117.6949 -18.9242 -169.6459 + -128.5450 180.0000 180.0000 -113.7314 -135.6986 -63.0357 180.0000 -1.1605 + -130.6141 -125.4598 -127.0880 -61.0738 + Initial conformation 371 + 92.2388 92.2388 90.3570 89.0899 88.6572 93.0319 94.8258 87.9664 + 89.9076 100.1805 109.0732 89.5374 91.8151 101.7839 92.2014 133.2247 + 121.5017 117.9501 114.2013 114.2013 + -180.0000 45.8488 55.1936 49.3961 48.2980 46.8430 59.6233 56.6787 + -87.3042 -127.4990 4.2610 66.1079 70.1396 -108.9488 103.8242 -122.5265 + -90.2854 -108.3282 180.0000 0.0000 + 117.1685 153.1339 146.1902 144.2700 135.6363 158.6487 168.5649 173.7631 + 113.2796 180.0000 180.0000 92.9223 155.7813 140.6763 180.0000 140.9887 + 115.5586 123.1754 121.3931 95.1765 + -89.0602 -110.6296 -178.6780 -66.8641 -157.2972 -172.6092 -119.0139 -102.7895 + -91.8813 180.0000 180.0000 -119.6126 -38.1584 -79.8635 180.0000 -101.4017 + -117.6431 -131.9969 -114.1488 -72.2055 + Initial conformation 372 + 92.2388 92.2388 90.3570 89.0899 88.6572 93.0319 94.8258 87.9664 + 89.9076 100.1805 109.0732 89.5374 91.8151 101.7839 92.2014 133.2247 + 121.5017 117.9501 114.2013 114.2013 + -180.0000 45.8488 55.1936 49.3961 48.2980 46.8430 59.6233 56.6787 + -87.3042 -127.4990 4.2610 66.1079 70.1396 -108.9488 103.8242 -122.5265 + -90.2854 -108.3282 180.0000 0.0000 + 138.7293 142.3849 129.5646 132.0627 163.1247 115.5163 145.4470 154.0439 + 161.7267 180.0000 180.0000 110.7964 105.6038 147.9076 180.0000 130.0138 + 120.3202 119.2047 121.5785 93.1613 + -158.4394 -116.4705 -32.8072 -86.5184 -143.9873 15.5113 -100.4714 -99.5624 + -94.0836 180.0000 180.0000 -126.6790 -67.2478 -136.0648 180.0000 165.5440 + -122.7197 -127.1698 -125.5863 -67.3451 + Initial conformation 373 + 92.2388 92.2388 90.3570 89.0899 88.6572 93.0319 94.8258 87.9664 + 89.9076 100.1805 109.0732 89.5374 91.8151 101.7839 92.2014 133.2247 + 121.5017 117.9501 114.2013 114.2013 + -180.0000 45.8488 55.1936 49.3961 48.2980 46.8430 59.6233 56.6787 + -87.3042 -127.4990 4.2610 66.1079 70.1396 -108.9488 103.8242 -122.5265 + -90.2854 -108.3282 180.0000 0.0000 + 146.4243 149.2346 134.3480 137.7342 127.2376 159.4424 154.7572 128.7251 + 142.2777 180.0000 180.0000 111.0228 158.6646 108.1292 180.0000 127.2354 + 124.4440 124.2719 115.1055 144.5536 + 169.4761 -78.6839 -9.3456 -72.9859 -83.9341 -133.9113 -84.6036 -118.2305 + -100.3200 180.0000 180.0000 -91.1558 -87.3696 -66.2499 180.0000 -101.9166 + -139.1219 -134.2676 -118.4792 -82.1925 + Initial conformation 374 + 92.2388 92.2388 90.3570 89.0899 88.6572 93.0319 94.8258 87.9664 + 89.9076 100.1805 109.0732 89.5374 91.8151 101.7839 92.2014 133.2247 + 121.5017 117.9501 114.2013 114.2013 + -180.0000 45.8488 55.1936 49.3961 48.2980 46.8430 59.6233 56.6787 + -87.3042 -127.4990 4.2610 66.1079 70.1396 -108.9488 103.8242 -122.5265 + -90.2854 -108.3282 180.0000 0.0000 + 135.4864 161.6765 135.7598 146.4151 120.3207 156.0966 162.3004 137.0805 + 152.0438 180.0000 180.0000 97.6495 149.5854 100.8227 180.0000 150.2335 + 115.6642 119.6508 124.3652 146.3660 + -157.7579 -9.3868 -15.9155 -85.7399 -126.1671 -153.2207 -26.5224 -114.3483 + -19.7464 180.0000 180.0000 -106.6545 -82.9870 -79.7948 180.0000 179.8610 + -126.8369 -121.8139 -123.2284 -44.1868 + Initial conformation 375 + 92.2388 92.2388 90.3570 89.0899 88.6572 93.0319 94.8258 87.9664 + 89.9076 100.1805 109.0732 89.5374 91.8151 101.7839 92.2014 133.2247 + 121.5017 117.9501 114.2013 114.2013 + -180.0000 45.8488 55.1936 49.3961 48.2980 46.8430 59.6233 56.6787 + -87.3042 -127.4990 4.2610 66.1079 70.1396 -108.9488 103.8242 -122.5265 + -90.2854 -108.3282 180.0000 0.0000 + 148.8906 151.6061 151.7183 145.0844 138.3276 122.5656 153.8120 137.0514 + 155.9113 180.0000 180.0000 107.4724 102.9346 165.5246 180.0000 158.0979 + 113.8358 112.0698 120.5358 102.1379 + -38.1283 -113.7397 -165.2136 -79.3730 171.3908 -24.4018 -173.2065 -99.0951 + -6.0405 180.0000 180.0000 -95.1086 -82.6397 -82.5505 180.0000 -68.1554 + -115.1125 -113.1334 -127.0115 -69.7951 + Initial conformation 376 + 92.2388 92.2388 90.3570 89.0899 88.6572 93.0319 94.8258 87.9664 + 89.9076 100.1805 109.0732 89.5374 91.8151 101.7839 92.2014 133.2247 + 121.5017 117.9501 114.2013 114.2013 + -180.0000 45.8488 55.1936 49.3961 48.2980 46.8430 59.6233 56.6787 + -87.3042 -127.4990 4.2610 66.1079 70.1396 -108.9488 103.8242 -122.5265 + -90.2854 -108.3282 180.0000 0.0000 + 134.7282 159.3871 157.8280 147.4501 135.7515 173.7157 168.1286 134.1837 + 131.2323 180.0000 180.0000 105.8835 129.6792 90.1024 180.0000 138.4224 + 115.4208 121.0019 125.0363 139.7216 + -130.5781 -98.0836 172.0301 -68.4215 -32.1157 147.3026 -138.6633 -121.3846 + -87.2464 180.0000 180.0000 -119.1634 -50.9102 -55.9381 180.0000 -171.8048 + -120.2720 -130.2376 -129.2003 -67.0761 + Initial conformation 377 + 92.2388 92.2388 90.3570 89.0899 88.6572 93.0319 94.8258 87.9664 + 89.9076 100.1805 109.0732 89.5374 91.8151 101.7839 92.2014 133.2247 + 121.5017 117.9501 114.2013 114.2013 + -180.0000 45.8488 55.1936 49.3961 48.2980 46.8430 59.6233 56.6787 + -87.3042 -127.4990 4.2610 66.1079 70.1396 -108.9488 103.8242 -122.5265 + -90.2854 -108.3282 180.0000 0.0000 + 152.1601 161.0038 135.4055 134.2799 131.8381 159.9916 161.3284 141.7838 + 135.3122 180.0000 180.0000 93.5236 146.9125 113.1328 180.0000 139.7010 + 125.2728 129.0053 117.6208 103.3551 + -24.5196 -24.3791 -20.2937 -55.3782 -149.5832 4.4323 -106.8228 -70.0299 + -105.0754 180.0000 180.0000 -105.2366 -72.0037 -67.8419 180.0000 174.6508 + -129.7398 -130.9576 -120.3606 -65.3780 + Initial conformation 378 + 92.2388 92.2388 90.3570 89.0899 88.6572 93.0319 94.8258 87.9664 + 89.9076 100.1805 109.0732 89.5374 91.8151 101.7839 92.2014 133.2247 + 121.5017 117.9501 114.2013 114.2013 + -180.0000 45.8488 55.1936 49.3961 48.2980 46.8430 59.6233 56.6787 + -87.3042 -127.4990 4.2610 66.1079 70.1396 -108.9488 103.8242 -122.5265 + -90.2854 -108.3282 180.0000 0.0000 + 145.3757 150.4165 167.0040 144.5842 143.7654 121.0491 163.4357 154.3811 + 152.0366 180.0000 180.0000 104.9885 108.1828 161.0620 180.0000 157.1451 + 118.7856 117.4334 122.0617 143.7035 + -115.9766 -37.1983 153.1650 -88.4683 134.6675 -14.1080 -4.5988 -120.2221 + -106.9389 180.0000 180.0000 -95.8356 -63.5439 12.8552 180.0000 -30.1562 + -115.1239 -124.1345 -126.3377 -113.5068 + Initial conformation 379 + 92.2388 92.2388 90.3570 89.0899 88.6572 93.0319 94.8258 87.9664 + 89.9076 100.1805 109.0732 89.5374 91.8151 101.7839 92.2014 133.2247 + 121.5017 117.9501 114.2013 114.2013 + -180.0000 45.8488 55.1936 49.3961 48.2980 46.8430 59.6233 56.6787 + -87.3042 -127.4990 4.2610 66.1079 70.1396 -108.9488 103.8242 -122.5265 + -90.2854 -108.3282 180.0000 0.0000 + 151.1534 160.9882 132.1348 144.5341 133.6265 163.9523 170.7526 177.8780 + 139.1404 180.0000 180.0000 100.0158 114.3211 130.2143 180.0000 124.3613 + 107.2820 125.3037 120.2147 149.3869 + -154.6314 -151.4921 -9.9504 -84.0287 -103.6483 -178.6898 -159.2691 -91.8770 + -93.1680 180.0000 180.0000 -109.7225 -50.6903 -57.8351 180.0000 -118.0700 + -109.1769 -133.4519 -122.8292 -38.1201 + Initial conformation 380 + 92.2388 92.2388 90.3570 89.0899 88.6572 93.0319 94.8258 87.9664 + 89.9076 100.1805 109.0732 89.5374 91.8151 101.7839 92.2014 133.2247 + 121.5017 117.9501 114.2013 114.2013 + -180.0000 45.8488 55.1936 49.3961 48.2980 46.8430 59.6233 56.6787 + -87.3042 -127.4990 4.2610 66.1079 70.1396 -108.9488 103.8242 -122.5265 + -90.2854 -108.3282 180.0000 0.0000 + 141.7646 163.1644 146.6832 134.8839 153.5195 139.4484 147.9212 138.2380 + 150.9626 180.0000 180.0000 101.6709 109.6025 144.7545 180.0000 121.4636 + 118.5620 125.8329 120.3311 142.1495 + -140.7845 -167.4533 15.8928 -80.0973 -151.7793 -3.2149 -172.9948 -93.9175 + -102.8583 180.0000 180.0000 -106.1571 -75.8713 -96.4125 180.0000 -77.1606 + -125.9912 -130.4315 -121.2184 -28.0051 + Initial conformation 381 + 92.2388 92.2388 90.3570 89.0899 88.6572 93.0319 94.8258 87.9664 + 89.9076 100.1805 109.0732 89.5374 91.8151 101.7839 92.2014 133.2247 + 121.5017 117.9501 114.2013 114.2013 + -180.0000 45.8488 55.1936 49.3961 48.2980 46.8430 59.6233 56.6787 + -87.3042 -127.4990 4.2610 66.1079 70.1396 -108.9488 103.8242 -122.5265 + -90.2854 -108.3282 180.0000 0.0000 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-111.3664 -149.7855 + -89.2410 180.0000 180.0000 -108.8702 -48.7653 -88.4856 180.0000 -63.2161 + -127.7253 -121.4980 -143.3417 -71.0120 + Initial conformation 383 + 92.2388 92.2388 90.3570 89.0899 88.6572 93.0319 94.8258 87.9664 + 89.9076 100.1805 109.0732 89.5374 91.8151 101.7839 92.2014 133.2247 + 121.5017 117.9501 114.2013 114.2013 + -180.0000 45.8488 55.1936 49.3961 48.2980 46.8430 59.6233 56.6787 + -87.3042 -127.4990 4.2610 66.1079 70.1396 -108.9488 103.8242 -122.5265 + -90.2854 -108.3282 180.0000 0.0000 + 139.1683 164.7459 137.5409 135.0931 131.6441 110.8718 165.6262 145.3786 + 124.4148 180.0000 180.0000 91.1962 107.2813 131.0138 180.0000 155.1626 + 125.3278 124.9442 128.8884 93.7312 + -143.6496 -152.0980 -19.2959 -83.5506 -142.6158 -19.6670 2.9144 -127.8768 + -116.6044 180.0000 180.0000 -106.2343 -62.3753 -69.7490 180.0000 -56.2921 + -134.9508 -125.7608 -140.3950 -73.5730 + Initial conformation 384 + 92.2388 92.2388 90.3570 89.0899 88.6572 93.0319 94.8258 87.9664 + 89.9076 100.1805 109.0732 89.5374 91.8151 101.7839 92.2014 133.2247 + 121.5017 117.9501 114.2013 114.2013 + -180.0000 45.8488 55.1936 49.3961 48.2980 46.8430 59.6233 56.6787 + -87.3042 -127.4990 4.2610 66.1079 70.1396 -108.9488 103.8242 -122.5265 + -90.2854 -108.3282 180.0000 0.0000 + 156.0230 158.4905 139.1091 136.6821 158.1459 161.8850 156.6008 154.4742 + 158.5800 180.0000 180.0000 94.8697 145.7526 154.6573 180.0000 108.5362 + 121.2372 121.1291 127.6382 138.9676 + -122.0434 -15.1793 -178.5970 -81.1356 -62.7422 43.6059 -4.7505 -172.1339 + -7.4788 180.0000 180.0000 -109.8159 -131.8230 -146.3940 180.0000 -161.5759 + -131.8430 -128.5206 -138.1016 -54.0213 + Initial conformation 385 + 92.2388 92.2388 90.3570 89.0899 88.6572 93.0319 94.8258 87.9664 + 89.9076 100.1805 109.0732 89.5374 91.8151 101.7839 92.2014 133.2247 + 121.5017 117.9501 114.2013 114.2013 + -180.0000 45.8488 55.1936 49.3961 48.2980 46.8430 59.6233 56.6787 + -87.3042 -127.4990 4.2610 66.1079 70.1396 -108.9488 103.8242 -122.5265 + -90.2854 -108.3282 180.0000 0.0000 + 163.5946 168.0622 146.3853 139.7264 135.0491 142.7868 147.4447 123.9367 + 156.6496 180.0000 180.0000 98.5695 167.0457 153.9040 180.0000 138.9174 + 118.9644 132.3720 116.2824 136.9208 + -6.4270 -170.3159 -9.4801 -104.7850 147.2467 21.5063 -90.3923 -41.7413 + -121.6253 180.0000 180.0000 -110.9067 -28.4430 -113.4716 180.0000 99.9869 + -123.6558 -137.5683 -122.6726 -79.1240 + Initial conformation 386 + 92.2388 92.2388 90.3570 89.0899 88.6572 93.0319 94.8258 87.9664 + 89.9076 100.1805 109.0732 89.5374 91.8151 101.7839 92.2014 133.2247 + 121.5017 117.9501 114.2013 114.2013 + -180.0000 45.8488 55.1936 49.3961 48.2980 46.8430 59.6233 56.6787 + -87.3042 -127.4990 4.2610 66.1079 70.1396 -108.9488 103.8242 -122.5265 + -90.2854 -108.3282 180.0000 0.0000 + 149.3034 168.8644 130.4826 148.7977 157.4454 135.4459 170.0950 165.5393 + 154.0276 180.0000 180.0000 101.4047 117.1551 150.3503 180.0000 149.6762 + 124.1884 132.3831 131.5762 146.7960 + -100.1600 -13.6612 -15.2360 -80.0291 -121.2642 -24.1386 -147.2164 -32.5165 + -149.9483 180.0000 180.0000 -90.1450 -69.8283 -93.2396 180.0000 -108.6407 + -130.7026 -137.5671 -136.9793 -68.6608 + Initial conformation 387 + 92.2388 92.2388 90.3570 89.0899 88.6572 93.0319 94.8258 87.9664 + 89.9076 100.1805 109.0732 89.5374 91.8151 101.7839 92.2014 133.2247 + 121.5017 117.9501 114.2013 114.2013 + -180.0000 45.8488 55.1936 49.3961 48.2980 46.8430 59.6233 56.6787 + -87.3042 -127.4990 4.2610 66.1079 70.1396 -108.9488 103.8242 -122.5265 + -90.2854 -108.3282 180.0000 0.0000 + 152.8421 137.9725 150.8785 151.4257 113.2833 157.6534 130.3556 145.7606 + 129.8583 180.0000 180.0000 112.4260 132.0341 96.0526 180.0000 152.1418 + 131.4627 121.3800 123.3133 151.9651 + -179.3964 -132.6453 -179.2675 -71.9940 -97.9799 42.7421 -89.8631 -105.8771 + -105.4866 180.0000 180.0000 -122.8836 -60.0887 -69.2367 180.0000 -70.1314 + -147.0371 -129.5045 -125.1058 -137.3082 + Initial conformation 388 + 92.2388 92.2388 90.3570 89.0899 88.6572 93.0319 94.8258 87.9664 + 89.9076 100.1805 109.0732 89.5374 91.8151 101.7839 92.2014 133.2247 + 121.5017 117.9501 114.2013 114.2013 + -180.0000 45.8488 55.1936 49.3961 48.2980 46.8430 59.6233 56.6787 + -87.3042 -127.4990 4.2610 66.1079 70.1396 -108.9488 103.8242 -122.5265 + -90.2854 -108.3282 180.0000 0.0000 + 145.4438 148.6262 129.3541 135.0636 158.0542 153.8906 155.6863 152.1693 + 120.8473 180.0000 180.0000 104.9793 154.1193 162.6689 180.0000 147.2215 + 112.8258 113.3867 116.4650 152.2769 + -123.5905 -29.9336 -7.3334 -84.6125 -119.1370 154.6336 -35.0519 168.2705 + -75.5131 180.0000 180.0000 -118.6636 -87.0419 -97.2042 180.0000 -132.5080 + -115.8234 -117.3773 -118.8827 -110.5443 + Initial conformation 389 + 92.2388 92.2388 90.3570 89.0899 88.6572 93.0319 94.8258 87.9664 + 89.9076 100.1805 109.0732 89.5374 91.8151 101.7839 92.2014 133.2247 + 121.5017 117.9501 114.2013 114.2013 + -180.0000 45.8488 55.1936 49.3961 48.2980 46.8430 59.6233 56.6787 + -87.3042 -127.4990 4.2610 66.1079 70.1396 -108.9488 103.8242 -122.5265 + -90.2854 -108.3282 180.0000 0.0000 + 144.2302 162.6574 140.6529 144.1381 110.4943 152.8299 145.8297 134.8504 + 142.9788 180.0000 180.0000 91.7876 137.9303 153.0368 180.0000 155.1919 + 121.3458 131.1461 114.5370 136.2653 + -152.7222 178.6336 -5.3794 -90.7677 -25.4467 150.2884 -145.1853 -41.9316 + -115.6718 180.0000 180.0000 -85.2741 -70.6275 -57.8850 180.0000 168.8169 + -124.6161 -141.9302 -119.7425 -28.3146 + Initial conformation 390 + 92.2388 92.2388 90.3570 89.0899 88.6572 93.0319 94.8258 87.9664 + 89.9076 100.1805 109.0732 89.5374 91.8151 101.7839 92.2014 133.2247 + 121.5017 117.9501 114.2013 114.2013 + -180.0000 45.8488 55.1936 49.3961 48.2980 46.8430 59.6233 56.6787 + -87.3042 -127.4990 4.2610 66.1079 70.1396 -108.9488 103.8242 -122.5265 + -90.2854 -108.3282 180.0000 0.0000 + 151.4636 158.8728 147.0265 149.2019 136.6939 148.5239 149.4215 136.5958 + 114.6939 180.0000 180.0000 103.2541 110.5526 117.2812 180.0000 111.9614 + 113.3789 126.3147 107.2413 117.5586 + -127.9539 -106.6192 162.2026 -90.0474 -104.8106 176.3742 -147.3651 -143.4968 + -82.3227 180.0000 180.0000 -119.9102 -62.4358 -56.7314 180.0000 -125.9421 + -121.7614 -131.1821 -108.1442 -66.0930 + Initial conformation 391 + 92.2388 92.2388 90.3570 89.0899 88.6572 93.0319 94.8258 87.9664 + 89.9076 100.1805 109.0732 89.5374 91.8151 101.7839 92.2014 133.2247 + 121.5017 117.9501 114.2013 114.2013 + -180.0000 45.8488 55.1936 49.3961 48.2980 46.8430 59.6233 56.6787 + -87.3042 -127.4990 4.2610 66.1079 70.1396 -108.9488 103.8242 -122.5265 + -90.2854 -108.3282 180.0000 0.0000 + 162.0586 162.9350 154.1669 132.2067 125.3584 117.0212 154.0558 137.3469 + 168.7434 180.0000 180.0000 102.9880 109.7543 95.4535 180.0000 126.2625 + 114.1307 122.4279 111.7019 136.8227 + -129.1771 -171.1765 -3.9107 -77.5086 -58.6391 -45.4749 -119.4332 -96.1691 + 3.1238 180.0000 180.0000 -103.5700 -77.4481 -68.3643 180.0000 -58.2726 + -121.9183 -133.7766 -121.9285 -77.6824 + Initial conformation 392 + 92.2388 92.2388 90.3570 89.0899 88.6572 93.0319 94.8258 87.9664 + 89.9076 100.1805 109.0732 89.5374 91.8151 101.7839 92.2014 133.2247 + 121.5017 117.9501 114.2013 114.2013 + -180.0000 45.8488 55.1936 49.3961 48.2980 46.8430 59.6233 56.6787 + -87.3042 -127.4990 4.2610 66.1079 70.1396 -108.9488 103.8242 -122.5265 + -90.2854 -108.3282 180.0000 0.0000 + 143.0031 149.1894 143.6893 128.7201 125.0561 127.2065 145.9393 141.6126 + 134.0073 180.0000 180.0000 97.3482 114.5337 148.8668 180.0000 134.8444 + 125.5824 114.4337 118.7355 110.2571 + -114.9703 -98.7351 -6.4679 -74.2832 -119.5113 -18.4088 -16.8236 -149.8556 + -112.9669 180.0000 180.0000 -104.7019 -70.0558 -21.8565 180.0000 -57.5634 + -134.1367 -118.9325 -119.2845 -67.4676 + Initial conformation 393 + 92.2388 92.2388 90.3570 89.0899 88.6572 93.0319 94.8258 87.9664 + 89.9076 100.1805 109.0732 89.5374 91.8151 101.7839 92.2014 133.2247 + 121.5017 117.9501 114.2013 114.2013 + -180.0000 45.8488 55.1936 49.3961 48.2980 46.8430 59.6233 56.6787 + -87.3042 -127.4990 4.2610 66.1079 70.1396 -108.9488 103.8242 -122.5265 + -90.2854 -108.3282 180.0000 0.0000 + 129.3661 158.6481 122.4914 138.4297 138.5417 139.4525 155.6729 124.4782 + 142.0800 180.0000 180.0000 94.5238 103.3368 131.7906 180.0000 159.7964 + 130.1278 119.0409 118.0613 93.4641 + 171.5649 -130.3646 -21.6525 -92.7322 -143.4615 -7.1244 -3.0167 -55.5965 + -145.6896 180.0000 180.0000 -132.3288 -55.6466 -139.4598 180.0000 -53.1377 + -140.8702 -117.7683 -120.2361 -65.4029 + Initial conformation 394 + 92.2388 92.2388 90.3570 89.0899 88.6572 93.0319 94.8258 87.9664 + 89.9076 100.1805 109.0732 89.5374 91.8151 101.7839 92.2014 133.2247 + 121.5017 117.9501 114.2013 114.2013 + -180.0000 45.8488 55.1936 49.3961 48.2980 46.8430 59.6233 56.6787 + -87.3042 -127.4990 4.2610 66.1079 70.1396 -108.9488 103.8242 -122.5265 + -90.2854 -108.3282 180.0000 0.0000 + 146.2583 160.6333 149.7609 137.1605 148.8575 137.9528 156.9360 137.3931 + 158.1499 180.0000 180.0000 101.7429 139.7929 101.6514 180.0000 120.1735 + 121.9263 115.4785 125.2990 112.5170 + -39.3057 -11.4963 -15.1892 -78.8933 -123.9246 -44.8118 -164.0896 -148.5910 + -28.3377 180.0000 180.0000 -100.2204 -43.9179 -59.0854 180.0000 -25.0843 + -121.8599 -119.0021 -124.6075 -78.0133 + Initial conformation 395 + 92.2388 92.2388 90.3570 89.0899 88.6572 93.0319 94.8258 87.9664 + 89.9076 100.1805 109.0732 89.5374 91.8151 101.7839 92.2014 133.2247 + 121.5017 117.9501 114.2013 114.2013 + -180.0000 45.8488 55.1936 49.3961 48.2980 46.8430 59.6233 56.6787 + -87.3042 -127.4990 4.2610 66.1079 70.1396 -108.9488 103.8242 -122.5265 + -90.2854 -108.3282 180.0000 0.0000 + 161.3414 160.2150 145.2699 131.3473 147.6764 136.0122 147.1365 142.2535 + 136.6772 180.0000 180.0000 101.3311 93.3065 167.1780 180.0000 158.0745 + 125.1628 115.3765 122.0664 143.8942 + -24.7455 -151.3105 5.9067 -76.7985 -144.3174 -157.8325 -79.7924 -117.6100 + -131.1182 180.0000 180.0000 -103.4189 -62.5863 -37.6586 180.0000 83.5278 + -134.5872 -114.4830 -124.1685 -134.7517 + Initial conformation 396 + 92.2388 92.2388 90.3570 89.0899 88.6572 93.0319 94.8258 87.9664 + 89.9076 100.1805 109.0732 89.5374 91.8151 101.7839 92.2014 133.2247 + 121.5017 117.9501 114.2013 114.2013 + -180.0000 45.8488 55.1936 49.3961 48.2980 46.8430 59.6233 56.6787 + -87.3042 -127.4990 4.2610 66.1079 70.1396 -108.9488 103.8242 -122.5265 + -90.2854 -108.3282 180.0000 0.0000 + 160.1990 150.4739 131.6188 129.8209 146.5160 132.5805 157.1471 136.5489 + 126.9150 180.0000 180.0000 102.4748 105.8406 106.2663 180.0000 148.0723 + 126.4280 115.9910 119.5588 93.6645 + -11.4139 -127.0774 -32.4050 -97.4183 120.1430 -19.8353 -81.4755 -51.5107 + -99.2599 180.0000 180.0000 -133.0253 -66.4461 -84.4381 180.0000 -90.8914 + -130.1362 -124.1306 -123.5243 -65.0559 + Initial conformation 397 + 92.2388 92.2388 90.3570 89.0899 88.6572 93.0319 94.8258 87.9664 + 89.9076 100.1805 109.0732 89.5374 91.8151 101.7839 92.2014 133.2247 + 121.5017 117.9501 114.2013 114.2013 + -180.0000 45.8488 55.1936 49.3961 48.2980 46.8430 59.6233 56.6787 + -87.3042 -127.4990 4.2610 66.1079 70.1396 -108.9488 103.8242 -122.5265 + -90.2854 -108.3282 180.0000 0.0000 + 149.4478 152.7679 127.9344 125.7779 148.9833 131.6652 153.6080 162.2891 + 134.1924 180.0000 180.0000 91.9140 166.3449 140.7800 180.0000 107.6091 + 127.2548 120.0780 133.6370 97.2394 + -14.8750 160.2332 -14.5942 -79.5686 -90.6139 -9.9475 -40.4209 159.8037 + -129.7224 180.0000 180.0000 -135.4116 -76.3268 -106.7775 180.0000 -154.5108 + -133.5079 -129.7275 -143.9298 -61.6862 + Initial conformation 398 + 92.2388 92.2388 90.3570 89.0899 88.6572 93.0319 94.8258 87.9664 + 89.9076 100.1805 109.0732 89.5374 91.8151 101.7839 92.2014 133.2247 + 121.5017 117.9501 114.2013 114.2013 + -180.0000 45.8488 55.1936 49.3961 48.2980 46.8430 59.6233 56.6787 + -87.3042 -127.4990 4.2610 66.1079 70.1396 -108.9488 103.8242 -122.5265 + -90.2854 -108.3282 180.0000 0.0000 + 157.5406 136.2371 143.0307 139.3118 133.2120 146.3618 154.0308 165.8381 + 149.0396 180.0000 180.0000 91.2315 146.0591 171.9687 180.0000 127.6423 + 116.2827 120.9904 118.5984 139.3228 + 35.2593 -116.2424 -21.9981 -67.8376 -69.9078 167.0354 -139.4898 -134.6444 + 3.8946 180.0000 180.0000 -124.2587 -36.0062 -68.7398 180.0000 166.1364 + -123.4169 -121.5087 -120.9591 -152.7109 + Initial conformation 399 + 92.2388 92.2388 90.3570 89.0899 88.6572 93.0319 94.8258 87.9664 + 89.9076 100.1805 109.0732 89.5374 91.8151 101.7839 92.2014 133.2247 + 121.5017 117.9501 114.2013 114.2013 + -180.0000 45.8488 55.1936 49.3961 48.2980 46.8430 59.6233 56.6787 + -87.3042 -127.4990 4.2610 66.1079 70.1396 -108.9488 103.8242 -122.5265 + -90.2854 -108.3282 180.0000 0.0000 + 115.7562 176.4420 171.2301 142.1428 154.6870 151.8835 155.5542 134.3976 + 107.6331 180.0000 180.0000 103.8741 147.3295 149.4049 180.0000 99.5203 + 115.2535 121.3819 122.2189 164.6631 + -75.9271 -134.1674 149.8106 -77.4529 27.8435 135.4402 -146.0510 -116.7282 + -88.1443 180.0000 180.0000 -95.1769 -110.0075 -63.3751 180.0000 -105.9208 + -118.9610 -127.4015 -127.6335 -123.3305 + Initial conformation 400 + 92.2388 92.2388 90.3570 89.0899 88.6572 93.0319 94.8258 87.9664 + 89.9076 100.1805 109.0732 89.5374 91.8151 101.7839 92.2014 133.2247 + 121.5017 117.9501 114.2013 114.2013 + -180.0000 45.8488 55.1936 49.3961 48.2980 46.8430 59.6233 56.6787 + -87.3042 -127.4990 4.2610 66.1079 70.1396 -108.9488 103.8242 -122.5265 + -90.2854 -108.3282 180.0000 0.0000 + 116.3689 159.1528 141.8602 135.1604 163.0310 152.4255 152.8980 129.3313 + 145.8486 180.0000 180.0000 117.4783 106.2884 148.4197 180.0000 156.4319 + 110.8501 129.7927 116.4990 133.4116 + -76.6281 -27.1236 3.6716 -69.4745 -113.7262 16.4016 -105.4086 -109.3175 + -25.4952 180.0000 180.0000 -136.8797 -74.5522 -35.3628 180.0000 -128.7146 + -115.3781 -141.0709 -110.6018 -93.6383 + Calling FEEDIN NCONF 400 + Time for first bank min. 2.56250000000000 + AVEDIF 300.096784872756 + make_var : nseed= 20 ntry= 420 + Time for make trial 1 0.06 +Nonsetup time 1.52 sec, Eval/s = 74138.39 +Time for iter 1 1.52 sec, Eval/s = 74138.39 + UPDATING 361 + -1 e 1 10 etot 1.3528E+20 mv 6 0 49 63 0 rms 3.5 %NC 53. + -1 e 1 34 etot 1.3528E+20 mv 6 0 122 111 0 rms 2.1 %NC 73. + 4 e 133 48 etot -7.2681E+01 mv 6 0 187 7 0 rms 4.2 %NC 40. + -1 e 1 62 etot 1.3528E+20 mv 6 0 95 133 0 rms 2.0 %NC 60. + 4 e 185 17 etot -8.1529E+01 mv 6 0 152 98 0 rms 2.0 %NC 53. c 98 32.2 0.1 + 4 e 244 18 etot -8.7418E+01 mv 6 0 152 145 0 rms 2.4 %NC 53. c 183 2.1 0.0 + 4 e 265 19 etot -8.4845E+01 mv 6 0 152 153 0 rms 2.4 %NC 67. c 193 67.0 1.4 + 4 e 212 11 etot -8.9292E+01 mv 6 0 152 53 0 rms 2.3 %NC 47. c 150 29.3 0.4 + 4 e 307 16 etot -8.9360E+01 mv 6 0 152 188 0 rms 2.3 %NC 53. c 152 3.8 0.0 + 4 e 189 8 etot -8.2517E+01 mv 6 0 49 61 0 rms 1.6 %NC 60. + 4 e 323 60 etot -8.2910E+01 mv 6 0 143 115 0 rms 2.3 %NC 40. c 143 4.7 0.0 + 4 e 291 24 etot -7.7082E+01 mv 6 0 173 84 0 rms 4.5 %NC 33. + 4 e 330 25 etot -6.9239E+01 mv 6 0 173 160 0 rms 6.1 %NC 40. + 4 e 302 26 etot -7.7083E+01 mv 6 0 173 23 0 rms 4.5 %NC 33. + 4 e 313 64 etot -7.8904E+01 mv 6 0 95 11 0 rms 1.4 %NC 47. f 155 165.4 8.2 + 4 e 218 32 etot -8.6344E+01 mv 6 0 122 168 0 rms 2.1 %NC 67. c 122 14.3 0.2 + 4 e 323 33 etot -8.0361E+01 mv 6 0 122 127 0 rms 2.8 %NC 40. f 16 201.4 9.2 + 4 e 246 61 etot -8.2757E+01 mv 6 0 95 181 0 rms 1.9 %NC 53. c 95 3.5 0.0 + 4 e 298 35 etot -8.2545E+01 mv 6 0 122 132 0 rms 1.6 %NC 60. + 4 e 286 50 etot -8.4352E+01 mv 6 0 187 140 0 rms 2.4 %NC 53. c 187 4.2 0.0 + 4 e 233 56 etot -8.2334E+01 mv 6 0 143 95 0 rms 1.9 %NC 53. c 119 71.8 1.7 + 4 e 283 59 etot -8.2706E+01 mv 6 0 143 9 0 rms 2.3 %NC 40. + 4 e 232 66 etot -8.6364E+01 mv 6 0 95 30 0 rms 2.3 %NC 53. c 172 33.0 0.6 + 4 e 369 40 etot -8.4014E+01 mv 6 0 122 70 0 rms 2.2 %NC 60. + 4 e 340 41 etot -8.4210E+01 mv 6 0 187 123 0 rms 2.5 %NC 60. f 126 157.5 12.9 + 4 e 451 9 etot -8.0907E+01 mv 6 0 49 155 0 rms 2.1 %NC 53. + 4 e 345 42 etot -8.3136E+01 mv 6 0 187 147 0 rms 2.7 %NC 60. + 4 e 304 68 etot -8.5554E+01 mv 6 0 95 159 0 rms 2.3 %NC 53. + 4 e 495 27 etot -8.8641E+01 mv 6 0 173 19 0 rms 2.1 %NC 60. + 4 e 431 43 etot -7.6106E+01 mv 6 0 187 2 0 rms 1.3 %NC 67. + 4 e 437 3 etot -7.8091E+01 mv 6 0 49 78 0 rms 2.7 %NC 40. + 4 e 319 63 etot -8.2730E+01 mv 6 0 95 120 0 rms 2.6 %NC 47. f 89 210.6 9.9 + -1 e 1 91 etot 1.3528E+20 mv 6 0 86 93 0 rms 2.0 %NC 73. + 4 e 419 51 etot -7.9460E+01 mv 6 0 143 68 0 rms 1.7 %NC 53. + 4 e 145 77 etot -6.0155E+01 mv 6 0 93 137 0 rms 9.6 %NC 33. + 4 e 208 70 etot -8.2757E+01 mv 6 0 95 92 0 rms 1.9 %NC 53. c 95 1.5 0.0 + 4 e 148 79 etot -8.0671E+01 mv 6 0 93 132 0 rms 2.2 %NC 67. c 132 2.5 0.0 + 4 e 157 83 etot -8.3906E+01 mv 6 0 65 142 0 rms 1.7 %NC 73. c 65 3.6 0.0 + 4 e 260 69 etot -8.5738E+01 mv 6 0 95 103 0 rms 2.0 %NC 60. c 103 3.3 0.2 + 4 e 539 2 etot -7.6608E+01 mv 6 0 49 126 0 rms 3.8 %NC 47. + 4 e 271 73 etot -8.2566E+01 mv 6 0 93 63 0 rms 1.9 %NC 67. c 93 3.0 0.0 + 4 e 272 82 etot -8.3832E+01 mv 6 0 65 157 0 rms 1.7 %NC 73. + 4 e 530 49 etot -7.5252E+01 mv 6 0 187 126 0 rms 3.8 %NC 33. + 4 e 169 86 etot -8.3906E+01 mv 6 0 65 107 0 rms 1.7 %NC 73. c 65 1.1 0.0 + 4 e 285 74 etot -8.4542E+01 mv 6 0 93 165 0 rms 2.8 %NC 60. + 4 e 247 85 etot -8.3906E+01 mv 6 0 65 158 0 rms 1.7 %NC 73. + 4 e 312 71 etot -8.3938E+01 mv 6 0 93 187 0 rms 1.9 %NC 67. c 93 103.4 1.4 + 4 e 509 58 etot -8.3767E+01 mv 6 0 143 170 0 rms 1.9 %NC 60. c 119 64.4 1.4 + 4 e 588 65 etot -8.3969E+01 mv 6 0 95 167 0 rms 2.3 %NC 67. c 86 108.6 1.5 + 4 e 238 84 etot -8.4831E+01 mv 6 0 65 179 0 rms 1.8 %NC 73. c 65 26.1 0.9 + -1 e 1 109 etot 1.3528E+20 mv 6 0 144 23 0 rms 2.0 %NC 67. + 4 e 271 75 etot -8.2567E+01 mv 6 0 93 87 0 rms 1.9 %NC 67. + -1 e 1 111 etot 1.3528E+20 mv 6 0 63 76 0 rms 1.9 %NC 67. + 8 e 588 1 etot -4.2942E+01 mv 6 0 49 132 0 rms 5.5 %NC 40. + 4 e 530 67 etot -8.7416E+01 mv 6 0 95 138 0 rms 2.4 %NC 53. + 4 e 225 89 etot -8.3906E+01 mv 6 0 65 162 0 rms 1.7 %NC 73. + 4 e 286 88 etot -8.3574E+01 mv 6 0 65 55 0 rms 1.7 %NC 73. + 4 e 620 57 etot -8.3017E+01 mv 6 0 143 67 0 rms 2.3 %NC 60. c 144 3.2 0.2 + 4 e 231 95 etot -8.2535E+01 mv 6 0 86 128 0 rms 1.9 %NC 60. c 92 36.9 0.5 + 4 e 179 105 etot -8.2931E+01 mv 6 0 144 55 0 rms 1.7 %NC 60. c 51 3.0 0.0 + 4 e 224 99 etot -8.0772E+01 mv 6 0 86 140 0 rms 2.2 %NC 60. + 4 e 344 94 etot -8.2474E+01 mv 6 0 86 145 0 rms 2.6 %NC 67. c 149 94.8 2.1 + 4 e 261 100 etot -8.1828E+01 mv 6 0 86 193 0 rms 1.9 %NC 60. + 4 e 561 72 etot -8.3282E+01 mv 6 0 93 121 0 rms 1.9 %NC 67. + 4 e 221 110 etot -8.2806E+01 mv 6 0 144 106 0 rms 2.3 %NC 60. + 4 e 361 90 etot -8.4242E+01 mv 6 0 65 67 0 rms 2.1 %NC 40. f 28 176.5 11.3 + 4 e 213 102 etot -8.6994E+01 mv 6 0 144 200 0 rms 2.4 %NC 60. c 200 2.7 0.0 + 4 e 306 103 etot -8.1795E+01 mv 6 0 144 31 0 rms 2.2 %NC 60. + 4 e 321 92 etot -8.2661E+01 mv 6 0 86 30 0 rms 1.6 %NC 60. c 48 80.2 0.7 + 4 e 416 81 etot -8.7322E+01 mv 6 0 65 95 0 rms 2.1 %NC 53. + 4 e 355 101 etot -7.7791E+01 mv 6 0 144 109 0 rms 3.3 %NC 40. + 4 e 299 112 etot -8.2076E+01 mv 6 0 63 46 0 rms 1.7 %NC 67. + 4 e 344 104 etot -8.2741E+01 mv 6 0 144 133 0 rms 2.7 %NC 80. c 149 97.3 0.3 + 4 e 324 108 etot -8.2783E+01 mv 6 0 144 51 0 rms 2.3 %NC 60. + 4 e 381 98 etot -7.8344E+01 mv 6 0 86 133 0 rms 1.8 %NC 47. + -1 e 1 134 etot 1.3528E+20 mv 6 0 153 107 0 rms 2.5 %NC 67. + 4 e 557 87 etot -8.4021E+01 mv 6 0 65 139 0 rms 2.3 %NC 60. c 98 131.5 2.5 + 4 e 347 113 etot -8.4799E+01 mv 6 0 63 197 0 rms 2.7 %NC 53. + 4 e 101 130 etot -7.9559E+01 mv 6 0 80 36 0 rms 1.6 %NC 80. c 36 1.4 0.0 + 4 e 698 76 etot -8.3687E+01 mv 6 0 93 192 0 rms 2.8 %NC 53. c 178 134.9 9.1 + 4 e 310 118 etot -8.3911E+01 mv 6 0 63 33 0 rms 2.1 %NC 73. + -1 e 1 140 etot 1.3528E+20 mv 6 0 153 44 0 rms 3.6 %NC 53. + 4 e 515 80 etot -8.7052E+01 mv 6 0 93 119 0 rms 2.4 %NC 60. c 176 4.0 0.0 + 4 e 321 107 etot -8.2523E+01 mv 6 0 144 12 0 rms 2.2 %NC 60. + 4 e 415 114 etot -7.8340E+01 mv 6 0 63 133 0 rms 1.7 %NC 67. c 61 23.6 0.2 + 4 e 234 127 etot -7.8032E+01 mv 6 0 80 6 0 rms 1.4 %NC 60. c 6 1.7 0.0 + 4 e 274 124 etot -8.6011E+01 mv 6 0 80 94 0 rms 1.9 %NC 67. c 76 47.2 0.8 + 4 e 326 120 etot -8.2074E+01 mv 6 0 63 186 0 rms 1.7 %NC 67. + 4 e 780 78 etot -8.2113E+01 mv 6 0 93 50 0 rms 2.1 %NC 67. f 4 168.1 7.5 + 4 e 206 131 etot -8.2097E+01 mv 6 0 153 125 0 rms 2.4 %NC 60. c 196 21.0 0.8 + 4 e 277 125 etot -8.5878E+01 mv 6 0 80 48 0 rms 1.8 %NC 67. c 80 4.2 0.0 + 4 e 592 97 etot -8.1003E+01 mv 6 0 86 178 0 rms 2.4 %NC 73. c 138 87.6 1.1 + 4 e 238 128 etot -8.6049E+01 mv 6 0 80 125 0 rms 2.1 %NC 73. c 103 49.6 0.3 + 4 e 303 122 etot -8.6041E+01 mv 6 0 80 155 0 rms 1.9 %NC 60. c 80 30.6 0.2 + 4 e 563 93 etot -8.4074E+01 mv 6 0 86 99 0 rms 1.6 %NC 60. c 48 59.1 1.4 + 4 e 553 96 etot -8.4553E+01 mv 6 0 86 161 0 rms 2.8 %NC 47. c 16 132.0 4.2 + 4 e 333 123 etot -8.5740E+01 mv 6 0 80 140 0 rms 2.0 %NC 73. c 102 55.7 4.9 + 4 e 322 126 etot -8.6092E+01 mv 6 0 80 10 0 rms 2.0 %NC 60. + 4 e 204 133 etot -8.4667E+01 mv 6 0 153 137 0 rms 2.3 %NC 67. + 4 e 605 106 etot -8.3174E+01 mv 6 0 144 68 0 rms 2.7 %NC 53. + 4 e 558 115 etot 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e 337 362 etot -8.0414E+01 mv 1 0 -62 -38 0 rms 1.4 %NC 60. + 4 e 282 361 etot -7.4575E+01 mv 1 0 -4 -143 0 rms 1.3 %NC 53. + 4 e 305 381 etot -7.9176E+01 mv 1 0 -197 -99 0 rms 2.4 %NC 53. + 4 e 509 370 etot -8.6700E+01 mv 1 0 -117 -111 0 rms 1.8 %NC 60. c 78 30.2 0.8 + 4 e 429 380 etot -7.5540E+01 mv 1 0 -171 -11 0 rms 5.2 %NC 33. + 4 e 130 402 etot -8.9360E+01 mv 0 0 152 0 0 rms 2.3 %NC 53. c 152 0.9 0.0 + 4 e 171 386 etot -8.1302E+01 mv 1 0 -71 -159 0 rms 1.8 %NC 60. c 71 3.4 0.0 + 4 e 481 374 etot -7.6085E+01 mv 1 0 -111 -154 0 rms 2.7 %NC 47. + 4 e 222 387 etot -8.2350E+01 mv 1 0 -74 -43 0 rms 1.8 %NC 60. c 74 7.7 0.0 + 4 e 230 392 etot -7.6925E+01 mv 1 0 -40 -129 0 rms 1.6 %NC 60. + 4 e 491 377 etot -7.2321E+01 mv 1 0 -74 -15 0 rms 3.1 %NC 47. + 4 e 512 379 etot -7.9080E+01 mv 1 0 -18 -2 0 rms 1.4 %NC 73. c 20 5.9 0.2 + 4 e 85 410 etot -8.2473E+01 mv 0 0 86 0 0 rms 1.9 %NC 60. + 4 e 147 408 etot -8.2567E+01 mv 0 0 93 0 0 rms 1.9 %NC 67. + 4 e 502 382 etot -7.9140E+01 mv 1 0 -90 -64 0 rms 1.8 %NC 53. f 133 221.0 2.0 +## N0 total= 3 close= 1 far= 0 %acc 33.3 +## N1 total= 86 close= 25 far= 3 %acc 32.6 +## N2 total= 100 close= 27 far= 8 %acc 35.0 +## N3 total= 0 close= 0 far= 0 %acc 0.0 +## N4 total= 0 close= 0 far= 0 %acc 0.0 +## N5 total= 0 close= 0 far= 0 %acc 0.0 +## N6 total= 172 close= 66 far= 12 %acc 45.3 +## N7 total= 0 close= 0 far= 0 %acc 0.0 +## N8 total= 0 close= 0 far= 0 %acc 0.0 +## N9 total= 0 close= 0 far= 0 %acc 0.0 +##N10 total= 0 close= 0 far= 0 %acc 0.0 +##N11 total= 0 close= 0 far= 0 %acc 0.0 +##N12 total= 0 close= 0 far= 0 %acc 0.0 +##N13 total= 0 close= 0 far= 0 %acc 0.0 +##N14 total= 0 close= 0 far= 0 %acc 0.0 +##N15 total= 0 close= 0 far= 0 %acc 0.0 +##N16 total= 0 close= 0 far= 0 %acc 0.0 +##N17 total= 0 close= 0 far= 0 %acc 0.0 +##N18 total= 0 close= 0 far= 0 %acc 0.0 + Time for refresh 1 0.46 + make_var : nseed= 20 ntry= 420 + Time for make trial 2 0.07 +Nonsetup time 2.99 sec, Eval/s = 77617.46 +Time for iter 2 1.48 sec, Eval/s = 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2.3 %NC 53. + 4 e 460 334 etot -7.3813E+01 mv 1 2 111 -140 0 rms 4.9 %NC 53. + 4 e 116 395 etot -8.3305E+01 mv 1 2 40 -104 0 rms 1.8 %NC 47. c 40 1.1 0.0 + 4 e 506 323 etot -7.5075E+01 mv 1 2 3 -20 0 rms 2.8 %NC 67. +## N0 total= 19 close= 7 far= 0 %acc 36.8 +## N1 total= 100 close= 13 far= 3 %acc 16.0 +## N2 total= 101 close= 16 far= 4 %acc 19.8 +## N3 total= 0 close= 0 far= 0 %acc 0.0 +## N4 total= 0 close= 0 far= 0 %acc 0.0 +## N5 total= 0 close= 0 far= 0 %acc 0.0 +## N6 total= 200 close= 49 far= 17 %acc 33.0 +## N7 total= 0 close= 0 far= 0 %acc 0.0 +## N8 total= 0 close= 0 far= 0 %acc 0.0 +## N9 total= 0 close= 0 far= 0 %acc 0.0 +##N10 total= 0 close= 0 far= 0 %acc 0.0 +##N11 total= 0 close= 0 far= 0 %acc 0.0 +##N12 total= 0 close= 0 far= 0 %acc 0.0 +##N13 total= 0 close= 0 far= 0 %acc 0.0 +##N14 total= 0 close= 0 far= 0 %acc 0.0 +##N15 total= 0 close= 0 far= 0 %acc 0.0 +##N16 total= 0 close= 0 far= 0 %acc 0.0 +##N17 total= 0 close= 0 far= 0 %acc 0.0 +##N18 total= 0 close= 0 far= 0 %acc 0.0 + Time for refresh 3 0.30 + make_var : nseed= 20 ntry= 420 + Time for make trial 4 0.05 +Nonsetup time 5.32 sec, Eval/s = 88546.47 +Time for iter 4 1.09 sec, Eval/s = 109934.63 + UPDATING 420 + 4 e 352 368 etot -8.6040E+01 mv 1 2 104 -121 0 rms 1.8 %NC 67. + 4 e 402 364 etot -8.3833E+01 mv 1 2 32 -133 0 rms 3.4 %NC 53. f 29 132.9 4.2 + 4 e 86 403 etot -8.6345E+01 mv 0 2 122 0 0 rms 2.1 %NC 67. c 122 0.7 0.0 + 4 e 66 412 etot -8.3997E+01 mv 0 2 96 0 0 rms 2.6 %NC 60. c 96 0.4 0.0 + 4 e 132 405 etot -8.5115E+01 mv 0 2 3 0 0 rms 2.0 %NC 60. c 3 0.6 0.0 + 4 e 489 382 etot -7.8792E+01 mv 1 2 178 -62 0 rms 2.0 %NC 47. + 4 e 244 385 etot -7.3588E+01 mv 1 2 178 -57 0 rms 3.5 %NC 47. + 4 e 84 415 etot -8.3900E+01 mv 0 2 41 0 0 rms 2.3 %NC 53. + -1 e 1 3 etot 1.3528E+20 mv 6 3 173 129 0 rms 4.1 %NC 60. + 4 e 108 411 etot -8.5083E+01 mv 0 2 114 0 0 rms 3.4 %NC 60. + 4 e 431 370 etot -8.6297E+01 mv 1 2 104 -7 0 rms 1.8 %NC 67. + 4 e 490 342 etot -8.2121E+01 mv 1 2 126 -133 0 rms 2.6 %NC 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3.2 %NC 47. + 4 e 251 354 etot -8.4569E+01 mv 1 3 114 -159 0 rms 3.4 %NC 53. +## N0 total= 19 close= 6 far= 0 %acc 31.6 +## N1 total= 102 close= 11 far= 5 %acc 15.7 +## N2 total= 99 close= 14 far= 2 %acc 16.2 +## N3 total= 0 close= 0 far= 0 %acc 0.0 +## N4 total= 0 close= 0 far= 0 %acc 0.0 +## N5 total= 0 close= 0 far= 0 %acc 0.0 +## N6 total= 200 close= 45 far= 14 %acc 29.5 +## N7 total= 0 close= 0 far= 0 %acc 0.0 +## N8 total= 0 close= 0 far= 0 %acc 0.0 +## N9 total= 0 close= 0 far= 0 %acc 0.0 +##N10 total= 0 close= 0 far= 0 %acc 0.0 +##N11 total= 0 close= 0 far= 0 %acc 0.0 +##N12 total= 0 close= 0 far= 0 %acc 0.0 +##N13 total= 0 close= 0 far= 0 %acc 0.0 +##N14 total= 0 close= 0 far= 0 %acc 0.0 +##N15 total= 0 close= 0 far= 0 %acc 0.0 +##N16 total= 0 close= 0 far= 0 %acc 0.0 +##N17 total= 0 close= 0 far= 0 %acc 0.0 +##N18 total= 0 close= 0 far= 0 %acc 0.0 + Time for refresh 4 0.45 + make_var : nseed= 20 ntry= 420 + Time for make trial 5 0.06 +Nonsetup time 6.59 sec, Eval/s = 90818.05 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%NC 67. + 4 e 275 274 etot -8.4915E+01 mv 2 4 37 -34 0 rms 1.9 %NC 60. f 1 152.1 3.4 + 4 e 232 287 etot -7.7254E+01 mv 2 4 18 -166 0 rms 4.5 %NC 40. + 4 e 472 245 etot -8.5284E+01 mv 2 4 5 -151 0 rms 3.4 %NC 40. + 4 e 280 279 etot -8.4592E+01 mv 2 4 14 -183 0 rms 2.5 %NC 47. + 4 e 241 264 etot -8.5316E+01 mv 2 4 27 -187 0 rms 2.3 %NC 60. + 4 e 243 292 etot -8.5623E+01 mv 2 4 157 -124 0 rms 2.4 %NC 60. + 4 e 741 127 etot -8.3853E+01 mv 6 4 27 200 0 rms 1.6 %NC 47. + 4 e 164 305 etot -8.3767E+01 mv 1 4 130 -160 0 rms 2.2 %NC 60. + 4 e 168 306 etot -6.9713E+01 mv 1 4 155 -110 0 rms 7.2 %NC 40. + 4 e 370 269 etot -8.1115E+01 mv 2 4 131 -134 0 rms 2.2 %NC 47. + 4 e 300 280 etot -8.3692E+01 mv 2 4 14 -181 0 rms 2.6 %NC 60. + 4 e 231 299 etot -8.5846E+01 mv 2 4 114 -105 0 rms 3.2 %NC 47. c 114 1.8 0.0 + 4 e 461 257 etot -8.3687E+01 mv 2 4 44 -117 0 rms 2.8 %NC 53. + 4 e 291 282 etot -8.6073E+01 mv 2 4 36 -102 0 rms 1.8 %NC 67. + 4 e 577 239 etot -8.6625E+01 mv 2 4 77 -179 0 rms 3.1 %NC 40. c 119 12.0 0.0 + 4 e 223 300 etot -8.5846E+01 mv 2 4 114 -132 0 rms 3.2 %NC 47. + -1 e 1 346 etot 1.3528E+20 mv 1 4 24 -10 0 rms 2.4 %NC 53. + 4 e 359 277 etot -8.4662E+01 mv 2 4 14 -140 0 rms 3.2 %NC 60. + 4 e 191 295 etot -6.7170E+01 mv 2 4 157 -79 0 rms 4.3 %NC 40. + 4 e 255 301 etot -8.3767E+01 mv 1 4 130 -23 0 rms 2.2 %NC 60. + 4 e 204 317 etot -8.7053E+01 mv 1 4 197 -163 0 rms 2.4 %NC 60. c 176 1.7 0.0 + 4 e 259 304 etot -8.3767E+01 mv 1 4 130 -107 0 rms 2.2 %NC 60. + -1 e 1 352 etot 1.3528E+20 mv 1 4 87 -144 0 rms 3.9 %NC 87. + 4 e 390 276 etot -8.1766E+01 mv 2 4 14 -65 0 rms 3.3 %NC 40. f 109 187.6 0.2 + 4 e 567 211 etot -8.6610E+01 mv 2 4 70 -29 0 rms 1.8 %NC 60. c 52 26.9 0.0 + 4 e 117 336 etot -8.6817E+01 mv 1 4 77 -194 0 rms 1.9 %NC 60. + 4 e 214 319 etot -8.6843E+01 mv 1 4 197 -21 0 rms 2.4 %NC 53. + 4 e 538 261 etot -8.1685E+01 mv 2 4 27 -66 0 rms 2.9 %NC 33. f 7 150.4 0.1 + 4 e 356 297 etot -7.3072E+01 mv 2 4 114 -65 0 rms 3.6 %NC 47. + 4 e 197 324 etot -8.7174E+01 mv 1 4 26 -163 0 rms 2.9 %NC 60. + 4 e 239 320 etot -8.7405E+01 mv 1 4 197 -159 0 rms 2.4 %NC 53. + 4 e 303 307 etot -8.6859E+01 mv 1 4 155 -200 0 rms 2.4 %NC 53. c 155 3.7 0.0 + 4 e 478 273 etot -7.8376E+01 mv 2 4 37 -30 0 rms 3.8 %NC 40. + 4 e 213 328 etot -8.4968E+01 mv 1 4 111 -11 0 rms 2.5 %NC 67. c 9 97.1 1.9 + 4 e 309 310 etot -8.6858E+01 mv 1 4 155 -8 0 rms 2.4 %NC 53. + 4 e 144 345 etot -8.4416E+01 mv 1 4 5 -193 0 rms 3.1 %NC 47. + 4 e 536 268 etot -8.4669E+01 mv 2 4 131 -151 0 rms 3.2 %NC 47. + 4 e 445 288 etot -8.1987E+01 mv 2 4 18 -177 0 rms 6.6 %NC 27. + 4 e 334 312 etot -7.7642E+01 mv 1 4 70 -194 0 rms 5.5 %NC 40. + 4 e 609 262 etot -8.1880E+01 mv 2 4 27 -46 0 rms 2.9 %NC 40. f 69 127.7 0.2 + 4 e 329 313 etot -7.0601E+01 mv 1 4 70 -113 0 rms 3.1 %NC 47. + 4 e 258 325 etot -8.7476E+01 mv 1 4 26 -114 0 rms 3.0 %NC 60. + 4 e 235 333 etot -8.8643E+01 mv 1 4 115 -81 0 rms 2.1 %NC 67. + 4 e 459 291 etot -8.6410E+01 mv 2 4 157 -97 0 rms 2.5 %NC 67. c 157 94.2 0.7 + 4 e 196 341 etot -8.5367E+01 mv 1 4 5 -123 0 rms 3.1 %NC 53. + 4 e 660 258 etot -8.1701E+01 mv 2 4 44 -132 0 rms 3.1 %NC 53. f 145 146.3 0.0 + 4 e 462 290 etot -8.3327E+01 mv 2 4 18 -34 0 rms 1.8 %NC 53. + 4 e 467 294 etot -7.6158E+01 mv 2 4 157 -174 0 rms 2.0 %NC 67. + 4 e 458 296 etot -8.1299E+01 mv 2 4 114 -111 0 rms 2.4 %NC 67. + 4 e 154 335 etot -8.8644E+01 mv 1 4 115 -32 0 rms 2.1 %NC 67. c 115 1.8 0.0 + 4 e 277 332 etot -8.8297E+01 mv 1 4 115 -172 0 rms 2.1 %NC 67. c 120 1.6 0.0 + 4 e 323 326 etot -7.8510E+01 mv 1 4 111 -193 0 rms 2.9 %NC 47. + 4 e 755 248 etot -8.8989E+01 mv 2 4 24 -179 0 rms 2.1 %NC 53. + 4 e 207 330 etot -8.5839E+01 mv 1 4 111 -116 0 rms 2.3 %NC 67. + -1 e 1 384 etot 1.3528E+20 mv 1 4 36 -128 0 rms 3.1 %NC 47. + 4 e 243 343 etot -8.5723E+01 mv 1 4 5 -148 0 rms 3.1 %NC 47. + 4 e 256 344 etot -8.5976E+01 mv 1 4 5 -30 0 rms 3.3 %NC 47. + 4 e 370 323 etot -7.8506E+01 mv 1 4 26 -189 0 rms 4.5 %NC 53. + 4 e 303 334 etot -8.8434E+01 mv 1 4 115 -71 0 rms 2.1 %NC 67. + 4 e 487 308 etot -7.9661E+01 mv 1 4 155 -129 0 rms 3.8 %NC 33. + 4 e 275 350 etot -8.5266E+01 mv 1 4 24 -94 0 rms 2.4 %NC 53. + 4 e 228 359 etot -8.4963E+01 mv 1 4 44 -2 0 rms 2.8 %NC 47. + 4 e 453 321 etot -8.7745E+01 mv 1 4 26 -145 0 rms 2.9 %NC 60. + 4 e 355 339 etot -8.5901E+01 mv 1 4 77 -149 0 rms 1.9 %NC 60. c 6 86.1 1.8 + 4 e 397 331 etot -8.8642E+01 mv 1 4 115 -113 0 rms 2.1 %NC 67. + 4 e 257 356 etot -8.4963E+01 mv 1 4 44 -169 0 rms 2.8 %NC 47. + 4 e 511 315 etot -8.6533E+01 mv 1 4 70 -171 0 rms 2.3 %NC 67. + 4 e 373 338 etot -8.0424E+01 mv 1 4 77 -44 0 rms 5.8 %NC 33. + 4 e 481 275 etot -7.8376E+01 mv 2 4 37 -187 0 rms 3.8 %NC 40. + 4 e 431 329 etot -7.4896E+01 mv 1 4 111 -126 0 rms 6.1 %NC 33. + 4 e 128 381 etot -8.4390E+01 mv 1 4 36 -21 0 rms 2.0 %NC 60. c 36 0.6 0.0 + 4 e 254 337 etot -8.6087E+01 mv 1 4 77 -173 0 rms 1.9 %NC 53. c 128 62.9 1.8 + 4 e 205 371 etot -8.4634E+01 mv 1 4 37 -36 0 rms 2.1 %NC 67. + 4 e 334 351 etot -8.5059E+01 mv 1 4 87 -182 0 rms 2.5 %NC 60. + 4 e 214 377 etot -7.5913E+01 mv 1 4 14 -174 0 rms 2.9 %NC 47. + 4 e 548 318 etot -8.6188E+01 mv 1 4 197 -89 0 rms 2.4 %NC 67. + 4 e 353 348 etot -8.5264E+01 mv 1 4 24 -135 0 rms 2.4 %NC 53. + 4 e 209 376 etot -8.4592E+01 mv 1 4 14 -18 0 rms 2.5 %NC 47. + 4 e 165 386 etot -8.4305E+01 mv 1 4 18 -119 0 rms 2.2 %NC 60. c 18 1.5 0.0 + 4 e 267 366 etot -8.4680E+01 mv 1 4 131 -145 0 rms 3.2 %NC 47. + 4 e 428 340 etot -8.4972E+01 mv 1 4 77 -197 0 rms 2.9 %NC 60. f 84 138.1 3.3 + 4 e 308 360 etot -8.4963E+01 mv 1 4 44 -171 0 rms 2.8 %NC 47. + 4 e 239 355 etot -8.3328E+01 mv 1 4 87 -95 0 rms 2.6 %NC 60. + 4 e 290 362 etot -8.5427E+01 mv 1 4 27 -85 0 rms 2.3 %NC 60. c 27 17.9 0.1 + 4 e 178 383 etot -8.6114E+01 mv 1 4 36 -150 0 rms 2.0 %NC 67. + 4 e 514 327 etot -8.5052E+01 mv 1 4 111 -174 0 rms 2.8 %NC 67. + 4 e 595 316 etot -8.6841E+01 mv 1 4 197 -17 0 rms 2.4 %NC 60. + 4 e 245 349 etot -8.5495E+01 mv 1 4 24 -80 0 rms 2.4 %NC 53. + 4 e 254 375 etot -7.9484E+01 mv 1 4 37 -141 0 rms 2.2 %NC 60. + 4 e 347 358 etot -8.4749E+01 mv 1 4 44 -28 0 rms 2.9 %NC 53. +## N0 total= 20 close= 13 far= 0 %acc 65.0 +## N1 total= 99 close= 12 far= 5 %acc 17.2 +## N2 total= 101 close= 14 far= 9 %acc 22.8 +## N3 total= 0 close= 0 far= 0 %acc 0.0 +## N4 total= 0 close= 0 far= 0 %acc 0.0 +## N5 total= 0 close= 0 far= 0 %acc 0.0 +## N6 total= 200 close= 42 far= 14 %acc 28.0 +## N7 total= 0 close= 0 far= 0 %acc 0.0 +## N8 total= 0 close= 0 far= 0 %acc 0.0 +## N9 total= 0 close= 0 far= 0 %acc 0.0 +##N10 total= 0 close= 0 far= 0 %acc 0.0 +##N11 total= 0 close= 0 far= 0 %acc 0.0 +##N12 total= 0 close= 0 far= 0 %acc 0.0 +##N13 total= 0 close= 0 far= 0 %acc 0.0 +##N14 total= 0 close= 0 far= 0 %acc 0.0 +##N15 total= 0 close= 0 far= 0 %acc 0.0 +##N16 total= 0 close= 0 far= 0 %acc 0.0 +##N17 total= 0 close= 0 far= 0 %acc 0.0 +##N18 total= 0 close= 0 far= 0 %acc 0.0 + Time for refresh 5 0.28 + make_var : nseed= 20 ntry= 420 + Time for make trial 6 0.07 +Nonsetup time 7.69 sec, Eval/s = 92988.36 +Time for iter 6 1.10 sec, Eval/s = 105964.03 + UPDATING 420 + 4 e 110 404 etot -8.6843E+01 mv 0 4 197 0 0 rms 2.4 %NC 53. + 4 e 374 369 etot -8.1835E+01 mv 1 4 131 -57 0 rms 3.7 %NC 40. + 4 e 771 363 etot -8.5969E+01 mv 1 4 27 -197 0 rms 2.1 %NC 40. c 6 116.1 0.1 + 4 e 411 396 etot -7.5967E+01 mv 1 4 114 -73 0 rms 2.0 %NC 60. + 4 e 530 342 etot -8.3713E+01 mv 1 4 5 -176 0 rms 2.9 %NC 47. + 4 e 295 373 etot -8.4634E+01 mv 1 4 37 -168 0 rms 2.1 %NC 67. + 4 e 454 361 etot -8.7947E+01 mv 1 4 27 -73 0 rms 2.3 %NC 53. c 197 11.7 0.0 + 4 e 126 419 etot -8.5624E+01 mv 0 4 157 0 0 rms 2.4 %NC 60. + 4 e 429 368 etot -8.1110E+01 mv 1 4 131 -17 0 rms 3.7 %NC 40. + 4 e 284 379 etot -8.4400E+01 mv 1 4 14 -70 0 rms 2.5 %NC 47. + 4 e 525 372 etot -8.3101E+01 mv 1 4 37 -135 0 rms 2.1 %NC 60. + 4 e 505 347 etot -8.5269E+01 mv 1 4 24 -113 0 rms 2.3 %NC 53. + 4 e 155 405 etot -8.7476E+01 mv 0 4 26 0 0 rms 2.9 %NC 60. + 4 e 514 397 etot -7.5826E+01 mv 1 4 114 -4 0 rms 2.6 %NC 47. + 4 e 121 415 etot -8.4635E+01 mv 0 4 37 0 0 rms 2.1 %NC 67. + 4 e 331 393 etot -6.7442E+01 mv 1 4 157 -2 0 rms 4.5 %NC 27. + 4 e 133 412 etot -8.4963E+01 mv 0 4 44 0 0 rms 2.8 %NC 47. + 4 e 277 391 etot -7.4544E+01 mv 1 4 157 -183 0 rms 2.2 %NC 60. + 4 e 563 364 etot -8.1650E+01 mv 1 4 27 -38 0 rms 1.7 %NC 60. + 4 e 286 388 etot -7.1123E+01 mv 1 4 18 -180 0 rms 5.5 %NC 40. + 4 e 472 354 etot -8.5147E+01 mv 1 4 87 -84 0 rms 2.5 %NC 60. + 4 e 111 414 etot -8.4680E+01 mv 0 4 131 0 0 rms 3.2 %NC 47. + 4 e 121 403 etot -8.6535E+01 mv 0 4 70 0 0 rms 2.3 %NC 67. c 70 1.4 0.0 + 4 e 345 395 etot -8.5623E+01 mv 1 4 157 -29 0 rms 2.4 %NC 60. + 4 e 379 367 etot -8.1470E+01 mv 1 4 131 -83 0 rms 3.4 %NC 40. + 4 e 503 400 etot -8.1983E+01 mv 1 4 114 -32 0 rms 2.9 %NC 60. + 4 e 73 407 etot -8.8644E+01 mv 0 4 115 0 0 rms 2.1 %NC 67. c 115 0.9 0.0 + 4 e 86 401 etot -8.3768E+01 mv 0 4 130 0 0 rms 2.2 %NC 60. c 130 0.5 0.0 + 4 e 117 408 etot -8.7095E+01 mv 0 4 77 0 0 rms 1.8 %NC 67. c 77 1.8 0.0 + 4 e 314 365 etot -8.5316E+01 mv 1 4 27 -145 0 rms 2.3 %NC 60. + 4 e 554 357 etot -7.3250E+01 mv 1 4 44 -79 0 rms 4.3 %NC 40. + 4 e 103 410 etot -8.5496E+01 mv 0 4 24 0 0 rms 2.4 %NC 53. + -1 e 1 26 etot 1.3528E+20 mv 6 5 98 34 0 rms 2.8 %NC 47. + 4 e 238 387 etot -8.4471E+01 mv 1 4 18 -94 0 rms 2.4 %NC 40. c 18 31.0 0.2 + 4 e 81 409 etot -8.5670E+01 mv 0 4 5 0 0 rms 3.1 %NC 47. + 4 e 257 378 etot -8.4592E+01 mv 1 4 14 -196 0 rms 2.5 %NC 53. + 4 e 627 353 etot -8.6846E+01 mv 1 4 87 -176 0 rms 2.5 %NC 60. c 87 89.7 1.5 + 4 e 580 322 etot -7.8292E+01 mv 1 4 26 -197 0 rms 4.5 %NC 60. + 4 e 67 417 etot -8.4391E+01 mv 0 4 36 0 0 rms 2.0 %NC 60. c 36 0.7 0.0 + 4 e 291 392 etot -8.4656E+01 mv 1 4 157 -171 0 rms 2.4 %NC 60. + 4 e 647 394 etot -8.3016E+01 mv 1 4 157 -127 0 rms 2.5 %NC 60. + 4 e 114 411 etot -8.5361E+01 mv 0 4 87 0 0 rms 2.5 %NC 60. + 4 e 352 398 etot -8.5639E+01 mv 1 4 114 -30 0 rms 3.2 %NC 47. + 4 e 57 406 etot -8.5840E+01 mv 0 4 111 0 0 rms 2.3 %NC 67. c 111 0.5 0.0 + 4 e 212 390 etot -7.7254E+01 mv 1 4 18 -30 0 rms 4.5 %NC 40. + 4 e 358 382 etot -8.1923E+01 mv 1 4 36 -86 0 rms 2.5 %NC 40. f 7 191.9 0.2 + 4 e 644 314 etot -8.8766E+01 mv 1 4 70 -33 0 rms 2.7 %NC 53. + 4 e 366 370 etot -8.4679E+01 mv 1 4 131 -52 0 rms 3.2 %NC 47. + 4 e 178 389 etot -8.4304E+01 mv 1 4 18 -122 0 rms 2.2 %NC 60. + 4 e 69 416 etot -8.4592E+01 mv 0 4 14 0 0 rms 2.5 %NC 47. c 14 0.2 0.0 + 4 e 175 420 etot -8.5846E+01 mv 0 4 114 0 0 rms 3.2 %NC 47. + 4 e 616 374 etot -7.9805E+01 mv 1 4 37 -47 0 rms 2.9 %NC 40. + 4 e 172 402 etot -8.6859E+01 mv 0 4 155 0 0 rms 2.4 %NC 53. c 155 1.9 0.0 + 4 e 80 418 etot -8.4305E+01 mv 0 4 18 0 0 rms 2.2 %NC 60. + 4 e 436 303 etot -8.3766E+01 mv 1 4 130 -192 0 rms 2.2 %NC 60. + 4 e 538 380 etot -8.4681E+01 mv 1 4 14 -140 0 rms 2.5 %NC 53. + 4 e 250 399 etot -8.4949E+01 mv 1 4 114 -50 0 rms 3.5 %NC 60. + 4 e 101 413 etot -8.5316E+01 mv 0 4 27 0 0 rms 2.3 %NC 60. + -1 e 1 55 etot 1.3528E+20 mv 6 5 82 142 0 rms 2.1 %NC 73. + 4 e 535 302 etot -8.7416E+01 mv 1 4 130 -150 0 rms 2.4 %NC 53. + 4 e 175 385 etot 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etot -8.5707E+01 mv 1 5 6 -121 0 rms 1.9 %NC 60. + 4 e 29 405 etot -8.6558E+01 mv 0 5 135 0 0 rms 2.2 %NC 53. c 135 0.1 0.0 + 4 e 156 376 etot -8.4567E+01 mv 1 5 21 -186 0 rms 2.3 %NC 47. + 4 e 200 352 etot -8.3343E+01 mv 1 5 9 -123 0 rms 2.5 %NC 67. + 4 e 322 327 etot -8.7941E+01 mv 1 5 82 -31 0 rms 2.3 %NC 47. + 4 e 162 381 etot -8.4448E+01 mv 1 5 198 -192 0 rms 2.4 %NC 47. c 198 1.4 0.0 + 4 e 367 349 etot -7.4106E+01 mv 1 5 84 -36 0 rms 7.2 %NC 40. + 4 e 609 303 etot -6.9052E+01 mv 1 5 83 -29 0 rms 3.6 %NC 40. + 4 e 76 402 etot -8.8621E+01 mv 0 5 148 0 0 rms 2.4 %NC 53. c 148 0.5 0.0 + 4 e 275 362 etot -8.5127E+01 mv 1 5 6 -140 0 rms 1.9 %NC 60. + 4 e 80 403 etot -8.7212E+01 mv 0 5 98 0 0 rms 2.0 %NC 67. c 98 0.3 0.0 + 4 e 196 385 etot -8.4447E+01 mv 1 5 198 -73 0 rms 2.4 %NC 47. + 4 e 100 401 etot -8.1787E+01 mv 0 5 83 0 0 rms 1.8 %NC 60. +## N0 total= 24 close= 11 far= 0 %acc 45.8 +## N1 total= 96 close= 9 far= 4 %acc 13.5 +## N2 total= 100 close= 16 far= 7 %acc 23.0 +## N3 total= 0 close= 0 far= 0 %acc 0.0 +## N4 total= 0 close= 0 far= 0 %acc 0.0 +## N5 total= 0 close= 0 far= 0 %acc 0.0 +## N6 total= 200 close= 42 far= 15 %acc 28.5 +## N7 total= 0 close= 0 far= 0 %acc 0.0 +## N8 total= 0 close= 0 far= 0 %acc 0.0 +## N9 total= 0 close= 0 far= 0 %acc 0.0 +##N10 total= 0 close= 0 far= 0 %acc 0.0 +##N11 total= 0 close= 0 far= 0 %acc 0.0 +##N12 total= 0 close= 0 far= 0 %acc 0.0 +##N13 total= 0 close= 0 far= 0 %acc 0.0 +##N14 total= 0 close= 0 far= 0 %acc 0.0 +##N15 total= 0 close= 0 far= 0 %acc 0.0 +##N16 total= 0 close= 0 far= 0 %acc 0.0 +##N17 total= 0 close= 0 far= 0 %acc 0.0 +##N18 total= 0 close= 0 far= 0 %acc 0.0 + Time for refresh 6 1.05 + make_var : nseed= 20 ntry= 420 + Time for make trial 7 0.06 +Nonsetup time 9.57 sec, Eval/s = 87227.56 +Time for iter 7 1.88 sec, Eval/s = 63706.29 + UPDATING 420 + 4 e 519 353 etot -8.4966E+01 mv 1 5 9 -13 0 rms 2.5 %NC 67. + 4 e 368 365 etot -8.6249E+01 mv 1 5 6 -35 0 rms 2.0 %NC 53. c 6 68.2 0.1 + 4 e 299 386 etot 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%NC 53. + 4 e 274 364 etot -8.2671E+01 mv 1 6 75 -152 0 rms 1.9 %NC 53. + 4 e 481 330 etot -8.1682E+01 mv 1 6 69 -35 0 rms 2.6 %NC 60. + 4 e 52 404 etot -8.8345E+01 mv 0 6 116 0 0 rms 2.1 %NC 47. c 116 0.3 0.0 + 4 e 156 385 etot -8.4687E+01 mv 1 6 186 -98 0 rms 1.7 %NC 47. c 186 1.4 0.0 + 4 e 267 371 etot -8.5129E+01 mv 1 6 131 -166 0 rms 3.2 %NC 47. + 4 e 196 381 etot -8.4686E+01 mv 1 6 186 -54 0 rms 1.7 %NC 47. + 4 e 458 341 etot -8.8185E+01 mv 1 6 87 -104 0 rms 2.9 %NC 53. + 4 e 387 351 etot -8.8477E+01 mv 1 6 83 -76 0 rms 2.9 %NC 53. c 83 2.5 0.0 + 4 e 138 391 etot -8.4472E+01 mv 1 6 18 -50 0 rms 2.4 %NC 40. c 18 1.2 0.0 +## N0 total= 17 close= 8 far= 0 %acc 47.1 +## N1 total= 106 close= 13 far= 2 %acc 14.2 +## N2 total= 97 close= 14 far= 4 %acc 18.6 +## N3 total= 0 close= 0 far= 0 %acc 0.0 +## N4 total= 0 close= 0 far= 0 %acc 0.0 +## N5 total= 0 close= 0 far= 0 %acc 0.0 +## N6 total= 200 close= 46 far= 9 %acc 27.5 +## N7 total= 0 close= 0 far= 0 %acc 0.0 +## N8 total= 0 close= 0 far= 0 %acc 0.0 +## N9 total= 0 close= 0 far= 0 %acc 0.0 +##N10 total= 0 close= 0 far= 0 %acc 0.0 +##N11 total= 0 close= 0 far= 0 %acc 0.0 +##N12 total= 0 close= 0 far= 0 %acc 0.0 +##N13 total= 0 close= 0 far= 0 %acc 0.0 +##N14 total= 0 close= 0 far= 0 %acc 0.0 +##N15 total= 0 close= 0 far= 0 %acc 0.0 +##N16 total= 0 close= 0 far= 0 %acc 0.0 +##N17 total= 0 close= 0 far= 0 %acc 0.0 +##N18 total= 0 close= 0 far= 0 %acc 0.0 + Time for refresh 7 0.31 + make_var : nseed= 20 ntry= 420 + Time for make trial 8 0.05 +Nonsetup time 10.66 sec, Eval/s = 88924.06 +Time for iter 8 1.09 sec, Eval/s = 103875.22 + UPDATING 420 + 4 e 45 415 etot -8.4872E+01 mv 0 6 131 0 0 rms 3.2 %NC 47. c 154 2.7 0.0 + 4 e 505 354 etot -7.9059E+01 mv 1 6 83 -137 0 rms 3.5 %NC 47. + 4 e 286 379 etot -8.3270E+01 mv 1 6 169 -16 0 rms 3.1 %NC 47. + 4 e 103 420 etot -8.4424E+01 mv 0 6 118 0 0 rms 2.3 %NC 40. + 4 e 272 397 etot -8.3821E+01 mv 1 6 118 -186 0 rms 2.3 %NC 47. + 4 e 82 413 etot -8.4895E+01 mv 0 6 75 0 0 rms 1.9 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7 63 -192 0 rms 2.2 %NC 40. + 4 e 301 354 etot -8.5738E+01 mv 1 7 131 -91 0 rms 3.3 %NC 47. + 4 e 477 317 etot -7.5896E+01 mv 1 7 113 -64 0 rms 3.4 %NC 40. + 4 e 513 305 etot -8.2837E+01 mv 1 7 64 -6 0 rms 2.2 %NC 40. + 4 e 515 303 etot -8.4175E+01 mv 1 7 64 -105 0 rms 2.2 %NC 53. + 4 e 100 395 etot -8.4638E+01 mv 1 7 140 -197 0 rms 2.4 %NC 67. + 4 e 213 370 etot -8.5013E+01 mv 1 7 60 -48 0 rms 1.9 %NC 53. + 4 e 211 371 etot -8.5086E+01 mv 1 7 74 -173 0 rms 2.1 %NC 33. + 4 e 261 363 etot -8.6994E+01 mv 1 7 199 -187 0 rms 2.4 %NC 60. + 4 e 342 352 etot -8.5695E+01 mv 1 7 131 -167 0 rms 3.3 %NC 40. + 4 e 360 353 etot -7.9462E+01 mv 1 7 131 -130 0 rms 3.5 %NC 33. + 4 e 333 329 etot -7.5418E+01 mv 1 7 24 -62 0 rms 2.9 %NC 40. + 4 e 183 364 etot -8.7498E+01 mv 1 7 199 -195 0 rms 2.3 %NC 53. + 4 e 310 360 etot -8.6457E+01 mv 1 7 63 -73 0 rms 1.9 %NC 60. c 63 80.0 1.0 + 4 e 545 308 etot -8.7241E+01 mv 1 7 5 -154 0 rms 2.2 %NC 60. c 6 74.7 0.7 + 4 e 216 374 etot -8.5087E+01 mv 1 7 74 -122 0 rms 2.2 %NC 33. + 4 e 200 379 etot -8.5060E+01 mv 1 7 195 -44 0 rms 2.5 %NC 60. + 4 e 100 401 etot -8.2916E+01 mv 0 7 64 0 0 rms 2.4 %NC 33. + 4 e 437 343 etot -8.6842E+01 mv 1 7 41 -166 0 rms 2.4 %NC 53. +## N0 total= 20 close= 11 far= 0 %acc 55.0 +## N1 total= 98 close= 7 far= 1 %acc 8.2 +## N2 total= 102 close= 16 far= 0 %acc 15.7 +## N3 total= 0 close= 0 far= 0 %acc 0.0 +## N4 total= 0 close= 0 far= 0 %acc 0.0 +## N5 total= 0 close= 0 far= 0 %acc 0.0 +## N6 total= 200 close= 40 far= 16 %acc 28.0 +## N7 total= 0 close= 0 far= 0 %acc 0.0 +## N8 total= 0 close= 0 far= 0 %acc 0.0 +## N9 total= 0 close= 0 far= 0 %acc 0.0 +##N10 total= 0 close= 0 far= 0 %acc 0.0 +##N11 total= 0 close= 0 far= 0 %acc 0.0 +##N12 total= 0 close= 0 far= 0 %acc 0.0 +##N13 total= 0 close= 0 far= 0 %acc 0.0 +##N14 total= 0 close= 0 far= 0 %acc 0.0 +##N15 total= 0 close= 0 far= 0 %acc 0.0 +##N16 total= 0 close= 0 far= 0 %acc 0.0 +##N17 total= 0 close= 0 far= 0 %acc 0.0 +##N18 total= 0 close= 0 far= 0 %acc 0.0 + Time for refresh 8 0.31 + make_var : nseed= 20 ntry= 420 + Time for make trial 9 0.05 +Nonsetup time 11.71 sec, Eval/s = 90441.97 +Time for iter 9 1.05 sec, Eval/s = 105835.54 + UPDATING 420 + 4 e 171 396 etot -8.4579E+01 mv 1 7 57 -107 0 rms 1.7 %NC 60. + 4 e 181 416 etot -8.5061E+01 mv 0 7 195 0 0 rms 2.5 %NC 60. + 4 e 93 406 etot -8.6684E+01 mv 0 7 24 0 0 rms 2.4 %NC 60. c 24 0.6 0.0 + 4 e 345 373 etot -7.9349E+01 mv 1 7 74 -5 0 rms 5.6 %NC 20. + 4 e 549 368 etot -7.8408E+01 mv 1 7 60 -94 0 rms 2.1 %NC 47. + 4 e 497 394 etot -8.2086E+01 mv 1 7 140 -29 0 rms 2.5 %NC 60. + 4 e 316 367 etot -8.4811E+01 mv 1 7 60 -83 0 rms 1.9 %NC 53. + 4 e 228 391 etot -8.4833E+01 mv 1 7 140 -172 0 rms 2.4 %NC 67. + 4 e 502 369 etot -7.8806E+01 mv 1 7 60 -81 0 rms 2.1 %NC 40. + 4 e 484 372 etot -7.9594E+01 mv 1 7 74 -19 0 rms 4.5 %NC 20. + 4 e 116 409 etot -8.6845E+01 mv 0 7 41 0 0 rms 2.4 %NC 53. + -1 e 1 5 etot 1.3528E+20 mv 6 8 164 160 0 rms 2.5 %NC 33. + 4 e 92 418 etot -8.4876E+01 mv 0 7 4 0 0 rms 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4 e 154 365 etot -8.6084E+01 mv 1 8 33 -191 0 rms 2.3 %NC 47. c 33 1.0 0.0 + 4 e 216 353 etot -8.4827E+01 mv 1 8 60 -193 0 rms 2.0 %NC 60. + 4 e 120 358 etot -6.1318E+01 mv 1 8 122 -32 0 rms 3.6 %NC 40. + 4 e 235 350 etot -8.6154E+01 mv 1 8 13 -15 0 rms 3.0 %NC 67. + 4 e 442 274 etot -8.2650E+01 mv 2 8 52 -190 0 rms 2.5 %NC 47. + 4 e 346 332 etot -8.8729E+01 mv 1 8 35 -53 0 rms 2.3 %NC 60. + -1 e 1 399 etot 1.3528E+20 mv 1 8 94 -62 0 rms 3.2 %NC 67. + 4 e 185 364 etot -8.6084E+01 mv 1 8 33 -162 0 rms 2.3 %NC 47. + 4 e 497 311 etot -8.7453E+01 mv 1 8 81 -192 0 rms 2.7 %NC 60. + 4 e 383 327 etot -8.4434E+01 mv 1 8 200 -140 0 rms 3.2 %NC 53. + 4 e 250 356 etot -7.0683E+01 mv 1 8 122 -45 0 rms 4.2 %NC 33. + 4 e 356 343 etot -8.4358E+01 mv 1 8 95 -43 0 rms 2.2 %NC 53. + 4 e 399 333 etot -8.6977E+01 mv 1 8 35 -185 0 rms 2.1 %NC 53. + 4 e 337 316 etot -8.6457E+01 mv 1 8 63 -132 0 rms 1.9 %NC 60. + 4 e 343 344 etot -8.2103E+01 mv 1 8 95 -192 0 rms 2.1 %NC 47. + 4 e 162 375 etot -8.7490E+01 mv 1 8 52 -15 0 rms 1.8 %NC 60. c 52 7.5 0.0 + 4 e 229 367 etot -8.6073E+01 mv 1 8 80 -17 0 rms 1.8 %NC 67. + 4 e 331 349 etot -8.1729E+01 mv 1 8 13 -96 0 rms 3.1 %NC 53. + 4 e 318 354 etot -8.6135E+01 mv 1 8 60 -89 0 rms 2.0 %NC 60. + 4 e 225 371 etot -8.7490E+01 mv 1 8 52 -129 0 rms 1.8 %NC 60. + 4 e 396 346 etot -8.6153E+01 mv 1 8 13 -169 0 rms 3.0 %NC 67. + 4 e 414 339 etot -8.7039E+01 mv 1 8 41 -175 0 rms 2.4 %NC 53. + 4 e 304 359 etot -8.7223E+01 mv 1 8 122 -147 0 rms 2.2 %NC 73. + 4 e 210 380 etot -8.5888E+01 mv 1 8 131 -163 0 rms 3.4 %NC 47. + 4 e 52 411 etot -8.6136E+01 mv 0 8 60 0 0 rms 2.0 %NC 60. c 60 0.5 0.0 + 4 e 196 381 etot -8.5790E+01 mv 1 8 138 -143 0 rms 3.2 %NC 47. + 4 e 231 374 etot -8.6612E+01 mv 1 8 52 -19 0 rms 1.9 %NC 60. +## N0 total= 20 close= 9 far= 0 %acc 45.0 +## N1 total= 100 close= 11 far= 2 %acc 13.0 +## N2 total= 100 close= 15 far= 5 %acc 20.0 +## N3 total= 0 close= 0 far= 0 %acc 0.0 +## N4 total= 0 close= 0 far= 0 %acc 0.0 +## N5 total= 0 close= 0 far= 0 %acc 0.0 +## N6 total= 200 close= 35 far= 9 %acc 22.0 +## N7 total= 0 close= 0 far= 0 %acc 0.0 +## N8 total= 0 close= 0 far= 0 %acc 0.0 +## N9 total= 0 close= 0 far= 0 %acc 0.0 +##N10 total= 0 close= 0 far= 0 %acc 0.0 +##N11 total= 0 close= 0 far= 0 %acc 0.0 +##N12 total= 0 close= 0 far= 0 %acc 0.0 +##N13 total= 0 close= 0 far= 0 %acc 0.0 +##N14 total= 0 close= 0 far= 0 %acc 0.0 +##N15 total= 0 close= 0 far= 0 %acc 0.0 +##N16 total= 0 close= 0 far= 0 %acc 0.0 +##N17 total= 0 close= 0 far= 0 %acc 0.0 +##N18 total= 0 close= 0 far= 0 %acc 0.0 + Time for refresh 9 0.61 + make_var : nseed= 20 ntry= 420 + Time for make trial 10 0.16 +Nonsetup time 13.17 sec, Eval/s = 89191.48 +Time for iter 10 1.46 sec, Eval/s = 79197.53 + UPDATING 420 + 4 e 93 419 etot -8.5683E+01 mv 0 8 186 0 0 rms 1.6 %NC 53. c 186 1.0 0.0 + 4 e 144 409 etot -8.6313E+01 mv 0 8 95 0 0 rms 2.2 %NC 67. + 4 e 256 372 etot -6.3938E+01 mv 1 8 52 -199 0 rms 7.0 %NC 33. + 4 e 407 387 etot -7.4961E+01 mv 1 8 27 -70 0 rms 4.1 %NC 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164 101.2 1.4 + 4 e 142 391 etot -8.4995E+01 mv 1 9 75 -165 0 rms 1.9 %NC 60. + 4 e 437 346 etot -8.5212E+01 mv 1 9 95 -60 0 rms 2.4 %NC 60. c 140 51.6 0.1 + 4 e 250 371 etot -8.5901E+01 mv 1 9 37 -170 0 rms 2.0 %NC 67. + 4 e 352 328 etot -8.4744E+01 mv 1 9 55 -160 0 rms 2.3 %NC 53. +## N0 total= 20 close= 11 far= 0 %acc 55.0 +## N1 total= 100 close= 7 far= 3 %acc 10.0 +## N2 total= 100 close= 14 far= 2 %acc 16.0 +## N3 total= 0 close= 0 far= 0 %acc 0.0 +## N4 total= 0 close= 0 far= 0 %acc 0.0 +## N5 total= 0 close= 0 far= 0 %acc 0.0 +## N6 total= 200 close= 35 far= 13 %acc 24.0 +## N7 total= 0 close= 0 far= 0 %acc 0.0 +## N8 total= 0 close= 0 far= 0 %acc 0.0 +## N9 total= 0 close= 0 far= 0 %acc 0.0 +##N10 total= 0 close= 0 far= 0 %acc 0.0 +##N11 total= 0 close= 0 far= 0 %acc 0.0 +##N12 total= 0 close= 0 far= 0 %acc 0.0 +##N13 total= 0 close= 0 far= 0 %acc 0.0 +##N14 total= 0 close= 0 far= 0 %acc 0.0 +##N15 total= 0 close= 0 far= 0 %acc 0.0 +##N16 total= 0 close= 0 far= 0 %acc 0.0 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etot -8.5791E+01 mv 1 10 101 -65 0 rms 2.1 %NC 60. + 4 e 119 395 etot -8.4817E+01 mv 1 10 54 -59 0 rms 1.9 %NC 67. + 4 e 184 354 etot -8.5108E+01 mv 1 10 27 -53 0 rms 2.2 %NC 60. + 4 e 183 357 etot -8.5702E+01 mv 1 10 88 -121 0 rms 2.1 %NC 40. + 4 e 198 356 etot -8.4853E+01 mv 1 10 88 -95 0 rms 2.1 %NC 40. + 4 e 192 376 etot -8.7132E+01 mv 1 10 51 -33 0 rms 2.5 %NC 60. + 4 e 202 353 etot -8.5226E+01 mv 1 10 27 -80 0 rms 2.2 %NC 60. + 4 e 200 386 etot -8.5258E+01 mv 1 10 53 -58 0 rms 1.6 %NC 53. + 4 e 217 362 etot -8.5563E+01 mv 1 10 94 -95 0 rms 2.6 %NC 33. + 4 e 197 391 etot -8.5158E+01 mv 1 10 54 -176 0 rms 1.9 %NC 67. + 4 e 219 388 etot -7.0787E+01 mv 1 10 53 -55 0 rms 4.4 %NC 40. + 4 e 234 371 etot -8.8895E+01 mv 1 10 193 -47 0 rms 2.7 %NC 60. + 4 e 232 368 etot -8.5096E+01 mv 1 10 18 -128 0 rms 2.2 %NC 47. + 4 e 350 342 etot -8.4957E+01 mv 1 10 22 -124 0 rms 2.5 %NC 67. + 4 e 251 375 etot -8.8896E+01 mv 1 10 193 -103 0 rms 2.7 %NC 60. + 4 e 268 382 etot -8.2737E+01 mv 1 10 132 -108 0 rms 2.1 %NC 47. + 4 e 590 332 etot -8.2636E+01 mv 1 10 191 -109 0 rms 2.5 %NC 40. + 4 e 613 323 etot -8.6485E+01 mv 1 10 56 -137 0 rms 2.3 %NC 53. +## N0 total= 19 close= 12 far= 0 %acc 63.2 +## N1 total= 100 close= 8 far= 2 %acc 10.0 +## N2 total= 101 close= 12 far= 2 %acc 13.9 +## N3 total= 0 close= 0 far= 0 %acc 0.0 +## N4 total= 0 close= 0 far= 0 %acc 0.0 +## N5 total= 0 close= 0 far= 0 %acc 0.0 +## N6 total= 200 close= 34 far= 9 %acc 21.5 +## N7 total= 0 close= 0 far= 0 %acc 0.0 +## N8 total= 0 close= 0 far= 0 %acc 0.0 +## N9 total= 0 close= 0 far= 0 %acc 0.0 +##N10 total= 0 close= 0 far= 0 %acc 0.0 +##N11 total= 0 close= 0 far= 0 %acc 0.0 +##N12 total= 0 close= 0 far= 0 %acc 0.0 +##N13 total= 0 close= 0 far= 0 %acc 0.0 +##N14 total= 0 close= 0 far= 0 %acc 0.0 +##N15 total= 0 close= 0 far= 0 %acc 0.0 +##N16 total= 0 close= 0 far= 0 %acc 0.0 +##N17 total= 0 close= 0 far= 0 %acc 0.0 +##N18 total= 0 close= 0 far= 0 %acc 0.0 + Time for refresh 11 0.27 + make_var : nseed= 20 ntry= 420 + Time for make trial 12 0.09 +Nonsetup time 16.46 sec, Eval/s = 85681.67 +Time for iter 12 1.08 sec, Eval/s = 107616.12 + UPDATING 420 + 4 e 319 348 etot -8.6154E+01 mv 1 10 131 -40 0 rms 3.4 %NC 47. + 4 e 530 347 etot -8.4806E+01 mv 1 10 131 -173 0 rms 2.8 %NC 60. + 4 e 180 396 etot -8.2395E+01 mv 1 10 75 -22 0 rms 2.0 %NC 53. + 4 e 300 349 etot -8.3616E+01 mv 1 10 131 -60 0 rms 3.7 %NC 27. + 4 e 702 350 etot -8.9685E+01 mv 1 10 131 -132 0 rms 2.7 %NC 53. + 4 e 165 351 etot -8.6018E+01 mv 1 10 27 -82 0 rms 2.2 %NC 53. c 27 1.3 0.0 + 4 e 150 352 etot -6.7790E+01 mv 1 10 27 -179 0 rms 5.4 %NC 33. + 4 e 174 409 etot -8.6383E+01 mv 0 10 22 0 0 rms 2.6 %NC 47. c 22 1.2 0.0 + 4 e 242 405 etot -8.6808E+01 mv 0 10 56 0 0 rms 2.3 %NC 47. + 4 e 299 355 etot -8.6017E+01 mv 1 10 27 -179 0 rms 2.2 %NC 53. + 4 e 133 407 etot -8.8674E+01 mv 0 10 191 0 0 rms 2.8 %NC 40. c 191 1.6 0.0 + 4 e 318 393 etot -8.4300E+01 mv 1 10 54 -102 0 rms 1.9 %NC 67. + 4 e 153 406 etot -8.6507E+01 mv 0 10 101 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etot -8.2594E+01 mv 1 11 117 -69 0 rms 2.8 %NC 60. + 4 e 267 353 etot -8.3230E+01 mv 1 11 171 -5 0 rms 2.1 %NC 47. + 4 e 225 361 etot -8.5886E+01 mv 1 11 50 -109 0 rms 2.2 %NC 67. + 4 e 424 327 etot -8.7515E+01 mv 1 11 56 -25 0 rms 2.1 %NC 73. + 4 e 203 370 etot -8.5835E+01 mv 1 11 18 -13 0 rms 2.4 %NC 40. + 4 e 358 343 etot -8.7207E+01 mv 1 11 54 -103 0 rms 2.1 %NC 67. + 4 e 210 365 etot -8.5887E+01 mv 1 11 50 -82 0 rms 2.2 %NC 67. + 4 e 166 379 etot -8.5527E+01 mv 1 11 74 -163 0 rms 2.2 %NC 27. c 74 1.5 0.0 + 4 e 322 321 etot -8.8636E+01 mv 1 11 117 -150 0 rms 2.1 %NC 53. + 4 e 198 373 etot -8.4591E+01 mv 1 11 53 -132 0 rms 1.6 %NC 60. + 4 e 454 326 etot -8.7607E+01 mv 1 11 56 -84 0 rms 2.3 %NC 53. + 4 e 412 335 etot -8.6516E+01 mv 1 11 51 -139 0 rms 2.6 %NC 60. + 4 e 373 305 etot -7.7595E+01 mv 1 11 196 -111 0 rms 2.7 %NC 40. + 4 e 299 352 etot -8.0130E+01 mv 1 11 171 -107 0 rms 1.5 %NC 47. + 4 e 150 385 etot -8.5116E+01 mv 1 11 137 -166 0 rms 2.3 %NC 60. + 4 e 375 345 etot -8.7633E+01 mv 1 11 54 -103 0 rms 1.7 %NC 60. + 4 e 357 347 etot -8.5312E+01 mv 1 11 63 -23 0 rms 2.0 %NC 53. c 67 67.9 0.5 +## N0 total= 20 close= 13 far= 0 %acc 65.0 +## N1 total= 101 close= 9 far= 0 %acc 8.9 +## N2 total= 99 close= 7 far= 2 %acc 9.1 +## N3 total= 0 close= 0 far= 0 %acc 0.0 +## N4 total= 0 close= 0 far= 0 %acc 0.0 +## N5 total= 0 close= 0 far= 0 %acc 0.0 +## N6 total= 200 close= 40 far= 14 %acc 27.0 +## N7 total= 0 close= 0 far= 0 %acc 0.0 +## N8 total= 0 close= 0 far= 0 %acc 0.0 +## N9 total= 0 close= 0 far= 0 %acc 0.0 +##N10 total= 0 close= 0 far= 0 %acc 0.0 +##N11 total= 0 close= 0 far= 0 %acc 0.0 +##N12 total= 0 close= 0 far= 0 %acc 0.0 +##N13 total= 0 close= 0 far= 0 %acc 0.0 +##N14 total= 0 close= 0 far= 0 %acc 0.0 +##N15 total= 0 close= 0 far= 0 %acc 0.0 +##N16 total= 0 close= 0 far= 0 %acc 0.0 +##N17 total= 0 close= 0 far= 0 %acc 0.0 +##N18 total= 0 close= 0 far= 0 %acc 0.0 + Time for refresh 12 0.26 + make_var : nseed= 20 ntry= 420 + Time for make trial 13 0.08 +Nonsetup time 17.54 sec, Eval/s = 87071.14 +Time for iter 13 1.08 sec, Eval/s = 108280.58 + UPDATING 420 + 4 e 67 418 etot -8.7050E+01 mv 0 11 128 0 0 rms 2.0 %NC 47. c 128 0.7 0.0 + 4 e 348 362 etot -8.5673E+01 mv 1 11 50 -131 0 rms 2.2 %NC 67. f 48 116.0 1.6 + 4 e 267 389 etot -8.5391E+01 mv 1 11 128 -82 0 rms 2.0 %NC 53. + 4 e 75 402 etot -8.9500E+01 mv 0 11 12 0 0 rms 2.7 %NC 47. + 4 e 99 415 etot -8.5639E+01 mv 0 11 53 0 0 rms 1.7 %NC 53. + 4 e 458 372 etot -7.3777E+01 mv 1 11 53 -22 0 rms 2.6 %NC 53. + 4 e 72 405 etot -8.9820E+01 mv 0 11 117 0 0 rms 2.1 %NC 60. + 4 e 315 393 etot -8.5825E+01 mv 1 11 8 -29 0 rms 2.2 %NC 60. + 4 e 156 419 etot -8.6548E+01 mv 0 11 8 0 0 rms 1.9 %NC 60. + 4 e 347 391 etot -8.7447E+01 mv 1 11 8 -19 0 rms 1.8 %NC 67. + 4 e 374 356 etot -8.2026E+01 mv 1 11 15 -154 0 rms 2.3 %NC 67. + 4 e 559 396 etot -8.4299E+01 mv 1 11 140 -50 0 rms 2.8 %NC 53. + 4 e 319 383 etot -7.8961E+01 mv 1 11 137 -17 0 rms 3.1 %NC 40. + 4 e 462 384 etot -8.5026E+01 mv 1 11 137 -29 0 rms 2.6 %NC 60. + 4 e 282 358 etot -8.5260E+01 mv 1 11 15 -47 0 rms 2.2 %NC 53. + -1 e 1 7 etot 1.3528E+20 mv 6 12 149 23 0 rms 2.2 %NC 73. + 4 e 173 403 etot -8.7010E+01 mv 0 11 194 0 0 rms 2.5 %NC 53. + 4 e 120 401 etot -8.4407E+01 mv 0 11 196 0 0 rms 2.3 %NC 67. + -1 e 1 12 etot 1.3528E+20 mv 6 12 152 7 0 rms 2.3 %NC 67. + 4 e 133 404 etot -8.8633E+01 mv 0 11 161 0 0 rms 2.3 %NC 53. + 4 e 218 390 etot -8.7049E+01 mv 1 11 128 -158 0 rms 2.0 %NC 47. + 4 e 267 364 etot -8.5886E+01 mv 1 11 50 -64 0 rms 2.2 %NC 67. c 48 85.1 0.2 + 4 e 105 420 etot -8.5214E+01 mv 0 11 140 0 0 rms 2.4 %NC 60. + -1 e 1 16 etot 1.3528E+20 mv 6 12 152 5 0 rms 2.3 %NC 73. + -1 e 1 17 etot 1.3528E+20 mv 6 12 152 193 0 rms 2.3 %NC 73. + 4 e 286 392 etot -8.6393E+01 mv 1 11 8 -61 0 rms 1.8 %NC 53. + 4 e 323 381 etot -7.5795E+01 mv 1 11 137 -52 0 rms 1.8 %NC 60. + 4 e 193 386 etot -8.7050E+01 mv 1 11 128 -189 0 rms 2.0 %NC 47. + 4 e 212 375 etot -8.5446E+01 mv 1 11 53 -170 0 rms 1.7 %NC 53. + 4 e 340 360 etot -8.5745E+01 mv 1 11 15 -48 0 rms 2.2 %NC 60. + 4 e 143 413 etot -8.5887E+01 mv 0 11 50 0 0 rms 2.2 %NC 67. c 48 1.5 0.0 + 4 e 56 410 etot -8.6487E+01 mv 0 11 63 0 0 rms 1.9 %NC 53. c 63 0.6 0.0 + 4 e 469 332 etot -8.7220E+01 mv 1 11 51 -96 0 rms 2.5 %NC 60. f 121 98.1 3.1 + 4 e 292 376 etot -8.3023E+01 mv 1 11 74 -162 0 rms 3.1 %NC 33. + 4 e 345 398 etot -8.4926E+01 mv 1 11 140 -116 0 rms 2.3 %NC 60. + 4 e 111 414 etot -8.5836E+01 mv 0 11 18 0 0 rms 2.4 %NC 40. c 18 0.5 0.0 + 4 e 463 368 etot -8.1078E+01 mv 1 11 18 -56 0 rms 5.0 %NC 40. + 4 e 287 366 etot -8.2944E+01 mv 1 11 18 -21 0 rms 1.4 %NC 60. + 4 e 102 408 etot -8.6870E+01 mv 0 11 7 0 0 rms 2.0 %NC 47. c 7 1.1 0.0 + 4 e 263 363 etot -8.8853E+01 mv 1 11 50 -115 0 rms 2.1 %NC 60. + 4 e 146 417 etot -8.5116E+01 mv 0 11 137 0 0 rms 2.3 %NC 60. c 137 0.3 0.0 + 4 e 208 400 etot -8.4926E+01 mv 1 11 140 -128 0 rms 2.3 %NC 60. + 4 e 271 378 etot -8.5527E+01 mv 1 11 74 -197 0 rms 2.2 %NC 27. + 4 e 100 409 etot -8.6816E+01 mv 0 11 54 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416 etot -8.5527E+01 mv 0 11 74 0 0 rms 2.2 %NC 27. + 4 e 353 387 etot -8.5051E+01 mv 1 11 128 -54 0 rms 1.8 %NC 40. f 96 93.3 0.9 + 4 e 410 367 etot -8.5096E+01 mv 1 11 18 -82 0 rms 2.3 %NC 47. + 4 e 378 369 etot -8.6260E+01 mv 1 11 18 -167 0 rms 2.2 %NC 47. c 33 57.0 0.2 + 4 e 724 267 etot -7.9635E+01 mv 2 11 18 -113 0 rms 2.2 %NC 60. + 4 e 411 395 etot -8.6195E+01 mv 1 11 8 -108 0 rms 1.9 %NC 67. + 8 e 8 40 etot -6.3992E+01 mv 6 12 117 15 0 rms 2.7 %NC 27. + 4 e 68 59 etot -8.4216E+01 mv 6 12 29 30 0 rms 1.6 %NC 53. c 30 0.6 0.0 + -1 e 1 67 etot 1.3528E+20 mv 6 12 194 183 0 rms 2.3 %NC 60. + 4 e 153 31 etot -7.8840E+01 mv 6 12 117 173 0 rms 5.7 %NC 27. + 4 e 208 14 etot -8.9020E+01 mv 6 12 152 161 0 rms 2.4 %NC 67. + 4 e 164 56 etot -6.0980E+01 mv 6 12 29 198 0 rms 3.2 %NC 33. + 4 e 252 50 etot -8.9793E+01 mv 6 12 5 15 0 rms 2.8 %NC 53. c 5 2.0 0.0 + 4 e 222 13 etot -8.9813E+01 mv 6 12 152 4 0 rms 2.3 %NC 47. + 4 e 174 52 etot -7.1130E+01 mv 6 12 29 33 0 rms 2.2 %NC 47. + 4 e 172 65 etot -8.7178E+01 mv 6 12 194 60 0 rms 2.5 %NC 47. + 4 e 128 53 etot -8.8221E+01 mv 6 12 29 67 0 rms 2.4 %NC 53. c 29 87.1 1.4 + -1 e 1 75 etot 3.2109E+25 mv 6 12 50 45 0 rms 2.7 %NC 47. + 4 e 186 4 etot -8.5274E+01 mv 6 12 149 129 0 rms 3.0 %NC 47. c 129 2.5 0.0 + 4 e 177 54 etot -8.6792E+01 mv 6 12 29 132 0 rms 2.4 %NC 53. + 4 e 191 11 etot -8.6486E+01 mv 6 12 152 63 0 rms 1.9 %NC 53. + 4 e 187 33 etot -8.7554E+01 mv 6 12 117 35 0 rms 2.1 %NC 47. c 35 24.9 0.4 + 4 e 189 35 etot -8.6607E+01 mv 6 12 117 138 0 rms 3.3 %NC 47. + -1 e 1 82 etot 9.5121E+32 mv 6 12 171 80 0 rms 2.6 %NC 40. + 4 e 196 20 etot -8.9462E+01 mv 6 12 152 101 0 rms 2.3 %NC 60. + 4 e 201 18 etot -8.9360E+01 mv 6 12 152 158 0 rms 2.3 %NC 53. c 151 0.6 0.0 + 4 e 203 8 etot -8.5572E+01 mv 6 12 149 129 0 rms 1.8 %NC 67. c 149 1.9 0.0 + 4 e 257 15 etot -8.9462E+01 mv 6 12 152 191 0 rms 2.3 %NC 60. + 4 e 297 45 etot -8.9780E+01 mv 6 12 5 195 0 rms 2.8 %NC 60. + 4 e 226 58 etot -7.4715E+01 mv 6 12 29 30 0 rms 3.8 %NC 40. + 4 e 226 6 etot -8.4689E+01 mv 6 12 149 71 0 rms 1.8 %NC 67. f 136 109.4 0.6 + 4 e 193 66 etot -8.6115E+01 mv 6 12 194 60 0 rms 2.0 %NC 67. + 4 e 223 29 etot -8.3782E+01 mv 6 12 51 28 0 rms 2.3 %NC 53. + 4 e 232 64 etot -8.1711E+01 mv 6 12 194 25 0 rms 2.2 %NC 53. + 4 e 249 9 etot -8.5572E+01 mv 6 12 149 72 0 rms 1.9 %NC 67. c 149 0.8 0.0 + 4 e 240 36 etot -9.0235E+01 mv 6 12 117 128 0 rms 2.1 %NC 53. c 117 4.0 0.0 + 4 e 251 63 etot -8.7090E+01 mv 6 12 194 120 0 rms 2.4 %NC 53. + 4 e 254 61 etot -8.7089E+01 mv 6 12 194 49 0 rms 2.4 %NC 53. + 4 e 28 94 etot -8.9192E+01 mv 6 12 99 82 0 rms 2.1 %NC 47. c 82 0.1 0.0 + 4 e 281 43 etot -8.8927E+01 mv 6 12 5 191 0 rms 2.8 %NC 47. c 191 18.2 0.3 + 4 e 281 27 etot -8.8070E+01 mv 6 12 51 20 0 rms 2.6 %NC 60. + 4 e 310 2 etot -7.5584E+01 mv 6 12 149 145 0 rms 5.7 %NC 20. + 4 e 106 83 etot -8.6861E+01 mv 6 12 171 76 0 rms 2.1 %NC 67. c 76 2.0 0.0 + 4 e 307 30 etot -8.5540E+01 mv 6 12 51 62 0 rms 2.5 %NC 67. c 140 82.0 0.1 + 4 e 313 48 etot 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1.3528E+20 mv 1 12 40 -139 0 rms 2.5 %NC 47. + 4 e 218 341 etot -7.7625E+01 mv 1 12 171 -112 0 rms 3.8 %NC 40. + 4 e 440 304 etot -6.9014E+01 mv 1 12 149 -52 0 rms 2.7 %NC 60. + 4 e 192 346 etot -8.6428E+01 mv 1 12 99 -186 0 rms 1.6 %NC 60. + 4 e 350 324 etot -8.9583E+01 mv 1 12 5 -45 0 rms 2.8 %NC 47. + -1 e 1 392 etot 1.3528E+20 mv 1 12 25 -174 0 rms 3.3 %NC 47. + 4 e 182 351 etot -8.7250E+01 mv 1 12 54 -200 0 rms 2.2 %NC 60. c 54 1.5 0.0 + 4 e 254 342 etot -8.3242E+01 mv 1 12 171 -184 0 rms 2.1 %NC 47. + 4 e 150 360 etot -8.6571E+01 mv 1 12 90 -122 0 rms 1.9 %NC 67. + 4 e 301 319 etot -8.8645E+01 mv 1 12 117 -20 0 rms 2.1 %NC 60. + 4 e 538 298 etot -7.9064E+01 mv 2 12 189 -9 0 rms 2.5 %NC 40. + 4 e 520 308 etot -8.8851E+01 mv 1 12 152 -9 0 rms 2.1 %NC 60. + -1 e 1 399 etot 1.3528E+20 mv 1 12 189 -65 0 rms 2.5 %NC 53. + 4 e 218 356 etot -8.6571E+01 mv 1 12 90 -158 0 rms 1.9 %NC 67. + 4 e 171 373 etot -7.9288E+01 mv 1 12 72 -141 0 rms 5.4 %NC 27. + 4 e 365 336 etot -8.3165E+01 mv 1 12 50 -18 0 rms 3.4 %NC 53. + 4 e 226 359 etot -8.1766E+01 mv 1 12 90 -28 0 rms 2.1 %NC 53. + 4 e 380 337 etot -7.9514E+01 mv 1 12 50 -6 0 rms 3.2 %NC 53. + 4 e 268 350 etot -8.7448E+01 mv 1 12 99 -37 0 rms 1.8 %NC 67. + 4 e 453 322 etot -8.6896E+01 mv 1 12 5 -80 0 rms 2.0 %NC 53. + 4 e 350 339 etot -8.6502E+01 mv 1 12 50 -31 0 rms 2.2 %NC 67. + 4 e 154 381 etot -8.5514E+01 mv 1 12 112 -167 0 rms 3.2 %NC 33. c 112 0.8 0.0 + 4 e 274 355 etot -8.7248E+01 mv 1 12 54 -137 0 rms 2.2 %NC 60. + 4 e 208 372 etot -8.5398E+01 mv 1 12 72 -140 0 rms 2.3 %NC 60. + 4 e 53 402 etot -8.9462E+01 mv 0 12 152 0 0 rms 2.3 %NC 60. c 152 0.2 0.0 + 4 e 33 409 etot -8.6567E+01 mv 0 12 171 0 0 rms 2.8 %NC 33. c 171 0.3 0.0 + 4 e 326 349 etot -8.6427E+01 mv 1 12 99 -19 0 rms 1.6 %NC 60. + 4 e 430 334 etot -8.7088E+01 mv 1 12 194 -103 0 rms 2.4 %NC 53. + 4 e 328 352 etot -8.2941E+01 mv 1 12 54 -141 0 rms 2.3 %NC 67. + 4 e 263 366 etot -8.7643E+01 mv 1 12 119 -200 0 rms 3.2 %NC 40. + 4 e 134 395 etot -8.5451E+01 mv 1 12 25 -147 0 rms 2.3 %NC 47. c 25 1.5 0.0 + 4 e 257 371 etot -8.5815E+01 mv 1 12 72 -39 0 rms 2.3 %NC 60. + 4 e 38 412 etot -8.6571E+01 mv 0 12 90 0 0 rms 1.9 %NC 67. c 90 0.1 0.0 +## N0 total= 23 close= 9 far= 0 %acc 39.1 +## N1 total= 96 close= 12 far= 6 %acc 18.8 +## N2 total= 101 close= 18 far= 1 %acc 18.8 +## N3 total= 0 close= 0 far= 0 %acc 0.0 +## N4 total= 0 close= 0 far= 0 %acc 0.0 +## N5 total= 0 close= 0 far= 0 %acc 0.0 +## N6 total= 200 close= 36 far= 9 %acc 22.5 +## N7 total= 0 close= 0 far= 0 %acc 0.0 +## N8 total= 0 close= 0 far= 0 %acc 0.0 +## N9 total= 0 close= 0 far= 0 %acc 0.0 +##N10 total= 0 close= 0 far= 0 %acc 0.0 +##N11 total= 0 close= 0 far= 0 %acc 0.0 +##N12 total= 0 close= 0 far= 0 %acc 0.0 +##N13 total= 0 close= 0 far= 0 %acc 0.0 +##N14 total= 0 close= 0 far= 0 %acc 0.0 +##N15 total= 0 close= 0 far= 0 %acc 0.0 +##N16 total= 0 close= 0 far= 0 %acc 0.0 +##N17 total= 0 close= 0 far= 0 %acc 0.0 +##N18 total= 0 close= 0 far= 0 %acc 0.0 + Time for refresh 13 0.44 + make_var : nseed= 20 ntry= 420 + Time for make trial 14 0.06 +Nonsetup time 18.77 sec, Eval/s = 87679.89 +Time for iter 14 1.24 sec, Eval/s = 96300.42 + UPDATING 420 + 4 e 70 407 etot -8.7090E+01 mv 0 12 194 0 0 rms 2.4 %NC 53. c 194 2.9 0.0 + 4 e 102 408 etot -8.6707E+01 mv 0 12 50 0 0 rms 2.2 %NC 67. c 50 1.0 0.0 + 4 e 127 406 etot -8.6793E+01 mv 0 12 29 0 0 rms 2.4 %NC 53. c 28 3.9 0.0 + 4 e 54 415 etot -8.5816E+01 mv 0 12 72 0 0 rms 2.3 %NC 60. + 4 e 616 398 etot -8.6590E+01 mv 1 12 189 -18 0 rms 1.8 %NC 53. c 8 32.4 0.0 + 4 e 421 368 etot -8.3238E+01 mv 1 12 119 -135 0 rms 3.3 %NC 53. + -1 e 1 1 etot 1.3528E+20 mv 6 13 49 87 0 rms 3.0 %NC 67. + 4 e 360 391 etot -6.9523E+01 mv 1 12 25 -12 0 rms 5.5 %NC 27. + 4 e 330 363 etot -8.6449E+01 mv 1 12 15 -152 0 rms 2.1 %NC 67. c 102 4.1 0.0 + 4 e 87 410 etot -8.6428E+01 mv 0 12 99 0 0 rms 1.6 %NC 60. c 99 0.9 0.0 + 4 e 533 365 etot -8.5393E+01 mv 1 12 15 -126 0 rms 2.0 %NC 60. + 4 e 316 389 etot -8.5321E+01 mv 1 12 40 -187 0 rms 2.2 %NC 33. + 4 e 344 390 etot -8.6458E+01 mv 1 12 40 -158 0 rms 2.2 %NC 40. c 21 4.0 0.0 + 4 e 261 384 etot -8.5514E+01 mv 1 12 112 -89 0 rms 3.2 %NC 33. + 4 e 103 418 etot -8.5455E+01 mv 0 12 40 0 0 rms 2.2 %NC 33. c 40 0.9 0.0 + 4 e 316 394 etot -7.9676E+01 mv 1 12 25 -56 0 rms 2.7 %NC 47. + 4 e 468 375 etot -8.5925E+01 mv 1 12 72 -25 0 rms 2.2 %NC 60. + 4 e 305 388 etot -7.7990E+01 mv 1 12 40 -90 0 rms 3.8 %NC 20. + 4 e 234 400 etot -8.3379E+01 mv 1 12 189 -77 0 rms 2.6 %NC 53. + 4 e 101 404 etot -9.0235E+01 mv 0 12 117 0 0 rms 2.1 %NC 53. c 117 1.9 0.0 + 4 e 258 379 etot -8.5696E+01 mv 1 12 144 -84 0 rms 3.3 %NC 40. + 4 e 139 405 etot -8.9794E+01 mv 0 12 5 0 0 rms 2.8 %NC 53. c 5 0.9 0.0 + 4 e 404 362 etot -8.2196E+01 mv 1 12 15 -44 0 rms 2.2 %NC 53. + 4 e 437 354 etot -8.6254E+01 mv 1 12 54 -30 0 rms 2.2 %NC 60. + 4 e 563 383 etot -8.3230E+01 mv 1 12 112 -87 0 rms 2.5 %NC 47. + 4 e 396 367 etot -7.4789E+01 mv 1 12 119 -60 0 rms 3.0 %NC 40. + 4 e 435 357 etot -7.2706E+01 mv 1 12 90 -37 0 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51 etot -7.4004E+01 mv 6 13 35 109 0 rms 2.7 %NC 20. + 4 e 214 14 etot -8.7418E+01 mv 6 13 191 183 0 rms 2.4 %NC 53. + 4 e 267 54 etot -8.7418E+01 mv 6 13 35 183 0 rms 2.4 %NC 53. + 4 e 194 72 etot -8.6534E+01 mv 6 13 175 70 0 rms 2.3 %NC 67. + 4 e 292 43 etot -8.7718E+01 mv 6 13 103 176 0 rms 2.0 %NC 60. + -1 e 1 91 etot 1.3528E+20 mv 6 13 33 144 0 rms 2.3 %NC 67. + -1 e 1 92 etot 1.3528E+20 mv 6 13 33 136 0 rms 2.1 %NC 60. + 4 e 302 60 etot -9.0235E+01 mv 6 13 35 13 0 rms 2.1 %NC 53. + 4 e 355 34 etot -8.9117E+01 mv 6 13 164 81 0 rms 2.9 %NC 53. + 4 e 294 6 etot -8.5787E+01 mv 6 13 49 136 0 rms 2.1 %NC 60. f 85 137.8 1.5 + 4 e 309 61 etot -8.4769E+01 mv 6 13 135 88 0 rms 2.1 %NC 53. c 86 1.7 0.0 + 4 e 300 46 etot -8.4840E+01 mv 6 13 103 92 0 rms 2.4 %NC 33. c 92 5.7 0.2 + 4 e 151 56 etot -8.8854E+01 mv 6 13 35 120 0 rms 2.1 %NC 60. + 4 e 339 9 etot -8.7090E+01 mv 6 13 49 194 0 rms 2.4 %NC 53. + 4 e 362 62 etot -8.6858E+01 mv 6 13 135 39 0 rms 2.4 %NC 53. + -1 e 1 101 etot 1.3528E+20 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etot -8.5102E+01 mv 1 13 141 -84 0 rms 2.8 %NC 40. + 4 e 332 351 etot -8.7050E+01 mv 1 13 141 -47 0 rms 2.0 %NC 47. +## N0 total= 19 close= 18 far= 0 %acc 94.7 +## N1 total= 101 close= 8 far= 0 %acc 7.9 +## N2 total= 100 close= 14 far= 2 %acc 16.0 +## N3 total= 0 close= 0 far= 0 %acc 0.0 +## N4 total= 0 close= 0 far= 0 %acc 0.0 +## N5 total= 0 close= 0 far= 0 %acc 0.0 +## N6 total= 200 close= 28 far= 12 %acc 20.0 +## N7 total= 0 close= 0 far= 0 %acc 0.0 +## N8 total= 0 close= 0 far= 0 %acc 0.0 +## N9 total= 0 close= 0 far= 0 %acc 0.0 +##N10 total= 0 close= 0 far= 0 %acc 0.0 +##N11 total= 0 close= 0 far= 0 %acc 0.0 +##N12 total= 0 close= 0 far= 0 %acc 0.0 +##N13 total= 0 close= 0 far= 0 %acc 0.0 +##N14 total= 0 close= 0 far= 0 %acc 0.0 +##N15 total= 0 close= 0 far= 0 %acc 0.0 +##N16 total= 0 close= 0 far= 0 %acc 0.0 +##N17 total= 0 close= 0 far= 0 %acc 0.0 +##N18 total= 0 close= 0 far= 0 %acc 0.0 + Time for refresh 14 0.26 + make_var : nseed= 20 ntry= 420 + Time for make trial 15 0.05 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far= 2 %acc 15.2 +## N3 total= 0 close= 0 far= 0 %acc 0.0 +## N4 total= 0 close= 0 far= 0 %acc 0.0 +## N5 total= 0 close= 0 far= 0 %acc 0.0 +## N6 total= 200 close= 27 far= 11 %acc 19.0 +## N7 total= 0 close= 0 far= 0 %acc 0.0 +## N8 total= 0 close= 0 far= 0 %acc 0.0 +## N9 total= 0 close= 0 far= 0 %acc 0.0 +##N10 total= 0 close= 0 far= 0 %acc 0.0 +##N11 total= 0 close= 0 far= 0 %acc 0.0 +##N12 total= 0 close= 0 far= 0 %acc 0.0 +##N13 total= 0 close= 0 far= 0 %acc 0.0 +##N14 total= 0 close= 0 far= 0 %acc 0.0 +##N15 total= 0 close= 0 far= 0 %acc 0.0 +##N16 total= 0 close= 0 far= 0 %acc 0.0 +##N17 total= 0 close= 0 far= 0 %acc 0.0 +##N18 total= 0 close= 0 far= 0 %acc 0.0 + Time for refresh 15 0.28 + make_var : nseed= 20 ntry= 420 + Time for make trial 16 0.05 +Nonsetup time 20.82 sec, Eval/s = 90323.82 +Time for iter 16 1.05 sec, Eval/s = 113654.48 + UPDATING 420 + 4 e 86 408 etot -8.6651E+01 mv 0 14 80 0 0 rms 1.8 %NC 60. c 80 0.7 0.0 + 4 e 128 406 etot -8.7418E+01 mv 0 14 180 0 0 rms 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%NC 53. c 181 1.9 0.0 + 4 e 325 347 etot -8.5288E+01 mv 1 15 19 -140 0 rms 2.6 %NC 60. + 4 e 52 403 etot -8.8085E+01 mv 0 15 175 0 0 rms 2.5 %NC 60. c 175 0.1 0.0 + 4 e 301 357 etot -8.9092E+01 mv 1 15 139 -98 0 rms 2.1 %NC 60. + 4 e 127 385 etot -8.6001E+01 mv 1 15 178 -33 0 rms 2.1 %NC 33. + 4 e 82 401 etot -8.4975E+01 mv 0 15 93 0 0 rms 2.9 %NC 60. c 93 0.6 0.0 + 4 e 354 353 etot -8.4635E+01 mv 1 15 64 -125 0 rms 2.8 %NC 53. + 4 e 298 366 etot -8.6105E+01 mv 1 15 57 -166 0 rms 2.9 %NC 60. + 4 e 332 358 etot -8.9643E+01 mv 1 15 139 -49 0 rms 2.1 %NC 60. + 4 e 183 379 etot -7.0339E+01 mv 1 15 160 -18 0 rms 5.0 %NC 40. + 4 e 230 375 etot -8.6073E+01 mv 1 15 181 -35 0 rms 2.7 %NC 53. +## N0 total= 21 close= 14 far= 0 %acc 66.7 +## N1 total= 98 close= 10 far= 1 %acc 11.2 +## N2 total= 101 close= 13 far= 2 %acc 14.9 +## N3 total= 0 close= 0 far= 0 %acc 0.0 +## N4 total= 0 close= 0 far= 0 %acc 0.0 +## N5 total= 0 close= 0 far= 0 %acc 0.0 +## N6 total= 200 close= 26 far= 5 %acc 15.5 +## N7 total= 0 close= 0 far= 0 %acc 0.0 +## N8 total= 0 close= 0 far= 0 %acc 0.0 +## N9 total= 0 close= 0 far= 0 %acc 0.0 +##N10 total= 0 close= 0 far= 0 %acc 0.0 +##N11 total= 0 close= 0 far= 0 %acc 0.0 +##N12 total= 0 close= 0 far= 0 %acc 0.0 +##N13 total= 0 close= 0 far= 0 %acc 0.0 +##N14 total= 0 close= 0 far= 0 %acc 0.0 +##N15 total= 0 close= 0 far= 0 %acc 0.0 +##N16 total= 0 close= 0 far= 0 %acc 0.0 +##N17 total= 0 close= 0 far= 0 %acc 0.0 +##N18 total= 0 close= 0 far= 0 %acc 0.0 + Time for refresh 16 0.26 + make_var : nseed= 20 ntry= 420 + Time for make trial 17 0.05 +Nonsetup time 21.91 sec, Eval/s = 91636.68 +Time for iter 17 1.09 sec, Eval/s = 116812.43 + UPDATING 420 + 4 e 134 405 etot -8.6960E+01 mv 0 15 14 0 0 rms 2.4 %NC 67. c 14 1.0 0.0 + 4 e 402 372 etot -8.4089E+01 mv 1 15 181 -52 0 rms 2.0 %NC 67. + 4 e 91 411 etot -8.6776E+01 mv 0 15 64 0 0 rms 2.7 %NC 60. + 4 e 174 414 etot -8.6105E+01 mv 0 15 57 0 0 rms 2.9 %NC 60. + 4 e 306 384 etot -8.2993E+01 mv 1 15 178 -94 0 rms 2.5 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68 -50 0 rms 2.1 %NC 60. + 4 e 187 356 etot -8.6094E+01 mv 1 16 85 -21 0 rms 2.1 %NC 60. + 4 e 323 352 etot -8.2279E+01 mv 1 16 34 -42 0 rms 1.7 %NC 53. + 4 e 573 319 etot -7.2944E+01 mv 1 16 32 -175 0 rms 2.3 %NC 73. + 4 e 203 373 etot -8.6354E+01 mv 1 16 25 -78 0 rms 2.8 %NC 33. + 4 e 444 342 etot -8.7288E+01 mv 1 16 57 -76 0 rms 3.0 %NC 60. + 4 e 202 375 etot -8.5848E+01 mv 1 16 25 -93 0 rms 2.3 %NC 47. + 4 e 538 328 etot -8.1074E+01 mv 1 16 168 -118 0 rms 2.8 %NC 47. + 4 e 485 338 etot -8.3798E+01 mv 1 16 73 -165 0 rms 1.6 %NC 53. + 4 e 62 408 etot -8.7132E+01 mv 0 16 73 0 0 rms 2.5 %NC 60. c 73 0.3 0.0 +## N0 total= 19 close= 11 far= 0 %acc 57.9 +## N1 total= 102 close= 8 far= 6 %acc 13.7 +## N2 total= 99 close= 12 far= 5 %acc 17.2 +## N3 total= 0 close= 0 far= 0 %acc 0.0 +## N4 total= 0 close= 0 far= 0 %acc 0.0 +## N5 total= 0 close= 0 far= 0 %acc 0.0 +## N6 total= 200 close= 26 far= 13 %acc 19.5 +## N7 total= 0 close= 0 far= 0 %acc 0.0 +## N8 total= 0 close= 0 far= 0 %acc 0.0 +## N9 total= 0 close= 0 far= 0 %acc 0.0 +##N10 total= 0 close= 0 far= 0 %acc 0.0 +##N11 total= 0 close= 0 far= 0 %acc 0.0 +##N12 total= 0 close= 0 far= 0 %acc 0.0 +##N13 total= 0 close= 0 far= 0 %acc 0.0 +##N14 total= 0 close= 0 far= 0 %acc 0.0 +##N15 total= 0 close= 0 far= 0 %acc 0.0 +##N16 total= 0 close= 0 far= 0 %acc 0.0 +##N17 total= 0 close= 0 far= 0 %acc 0.0 +##N18 total= 0 close= 0 far= 0 %acc 0.0 + Time for refresh 17 0.27 + make_var : nseed= 20 ntry= 420 + Time for make trial 18 0.05 +Nonsetup time 22.95 sec, Eval/s = 92736.94 +Time for iter 18 1.04 sec, Eval/s = 116025.00 + UPDATING 420 + 4 e 344 418 etot -8.6283E+01 mv 0 16 92 0 0 rms 2.7 %NC 53. + 4 e 119 403 etot -8.7204E+01 mv 0 16 86 0 0 rms 2.5 %NC 53. c 86 1.3 0.0 + 4 e 73 405 etot -8.7252E+01 mv 0 16 133 0 0 rms 2.4 %NC 67. c 133 0.9 0.0 + 4 e 272 396 etot -8.7179E+01 mv 1 16 83 -50 0 rms 2.6 %NC 47. + 4 e 228 400 etot -8.9088E+01 mv 1 16 83 -16 0 rms 3.0 %NC 60. c 83 1.0 0.0 + 4 e 498 347 etot -8.6628E+01 mv 1 16 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4 e 425 339 etot -8.6331E+01 mv 1 17 74 -16 0 rms 2.1 %NC 60. + 4 e 532 317 etot -8.7488E+01 mv 1 17 192 -36 0 rms 1.8 %NC 60. + 4 e 422 340 etot -8.7961E+01 mv 1 17 74 -23 0 rms 2.3 %NC 47. + 4 e 490 333 etot -8.5957E+01 mv 1 17 128 -132 0 rms 2.3 %NC 47. + 4 e 244 373 etot -8.5539E+01 mv 1 17 109 -120 0 rms 2.0 %NC 60. + 4 e 366 353 etot -8.7707E+01 mv 1 17 17 -196 0 rms 3.0 %NC 60. + 4 e 577 314 etot -7.1515E+01 mv 1 17 32 -184 0 rms 2.6 %NC 60. + 4 e 298 363 etot -8.6401E+01 mv 1 17 137 -129 0 rms 1.8 %NC 53. + 4 e 608 312 etot -7.6162E+01 mv 1 17 32 -130 0 rms 2.4 %NC 60. +## N0 total= 20 close= 14 far= 0 %acc 70.0 +## N1 total= 99 close= 5 far= 1 %acc 6.1 +## N2 total= 101 close= 17 far= 1 %acc 17.8 +## N3 total= 0 close= 0 far= 0 %acc 0.0 +## N4 total= 0 close= 0 far= 0 %acc 0.0 +## N5 total= 0 close= 0 far= 0 %acc 0.0 +## N6 total= 200 close= 34 far= 8 %acc 21.0 +## N7 total= 0 close= 0 far= 0 %acc 0.0 +## N8 total= 0 close= 0 far= 0 %acc 0.0 +## N9 total= 0 close= 0 far= 0 %acc 0.0 +##N10 total= 0 close= 0 far= 0 %acc 0.0 +##N11 total= 0 close= 0 far= 0 %acc 0.0 +##N12 total= 0 close= 0 far= 0 %acc 0.0 +##N13 total= 0 close= 0 far= 0 %acc 0.0 +##N14 total= 0 close= 0 far= 0 %acc 0.0 +##N15 total= 0 close= 0 far= 0 %acc 0.0 +##N16 total= 0 close= 0 far= 0 %acc 0.0 +##N17 total= 0 close= 0 far= 0 %acc 0.0 +##N18 total= 0 close= 0 far= 0 %acc 0.0 + Time for refresh 18 0.27 + make_var : nseed= 20 ntry= 420 + Time for make trial 19 0.07 +Nonsetup time 24.03 sec, Eval/s = 93666.28 +Time for iter 19 1.08 sec, Eval/s = 113373.81 + UPDATING 420 + 4 e 222 384 etot -8.7195E+01 mv 1 17 182 -3 0 rms 2.4 %NC 53. + 4 e 402 369 etot -7.6864E+01 mv 1 17 10 -66 0 rms 3.7 %NC 47. + 4 e 227 389 etot -8.6334E+01 mv 1 17 106 -183 0 rms 1.8 %NC 60. + 4 e 243 386 etot -8.6335E+01 mv 1 17 106 -158 0 rms 1.8 %NC 60. + 4 e 497 338 etot -9.0294E+01 mv 1 17 74 -59 0 rms 2.3 %NC 53. + 4 e 583 352 etot -8.7706E+01 mv 1 17 17 -50 0 rms 3.0 %NC 60. + 4 e 213 370 etot -8.6314E+01 mv 1 17 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%NC 60. f 189 75.9 1.3 + 4 e 323 356 etot -7.7462E+01 mv 1 18 79 -190 0 rms 2.8 %NC 47. + 4 e 229 371 etot -8.6626E+01 mv 1 18 102 -178 0 rms 2.2 %NC 67. + 4 e 143 385 etot -8.6484E+01 mv 1 18 89 -159 0 rms 1.8 %NC 60. + 4 e 330 330 etot -8.2779E+01 mv 1 18 16 -94 0 rms 2.4 %NC 67. + 4 e 450 298 etot -8.7316E+01 mv 2 18 59 -182 0 rms 2.4 %NC 60. + 4 e 379 352 etot -8.3835E+01 mv 1 18 143 -140 0 rms 1.8 %NC 73. + 4 e 220 376 etot -8.6516E+01 mv 1 18 93 -101 0 rms 2.9 %NC 60. +## N0 total= 20 close= 15 far= 0 %acc 75.0 +## N1 total= 100 close= 7 far= 1 %acc 8.0 +## N2 total= 100 close= 21 far= 5 %acc 26.0 +## N3 total= 0 close= 0 far= 0 %acc 0.0 +## N4 total= 0 close= 0 far= 0 %acc 0.0 +## N5 total= 0 close= 0 far= 0 %acc 0.0 +## N6 total= 200 close= 26 far= 5 %acc 15.5 +## N7 total= 0 close= 0 far= 0 %acc 0.0 +## N8 total= 0 close= 0 far= 0 %acc 0.0 +## N9 total= 0 close= 0 far= 0 %acc 0.0 +##N10 total= 0 close= 0 far= 0 %acc 0.0 +##N11 total= 0 close= 0 far= 0 %acc 0.0 +##N12 total= 0 close= 0 far= 0 %acc 0.0 +##N13 total= 0 close= 0 far= 0 %acc 0.0 +##N14 total= 0 close= 0 far= 0 %acc 0.0 +##N15 total= 0 close= 0 far= 0 %acc 0.0 +##N16 total= 0 close= 0 far= 0 %acc 0.0 +##N17 total= 0 close= 0 far= 0 %acc 0.0 +##N18 total= 0 close= 0 far= 0 %acc 0.0 + Time for refresh 19 0.28 + make_var : nseed= 20 ntry= 420 + Time for make trial 20 0.09 +Nonsetup time 25.11 sec, Eval/s = 94341.16 +Time for iter 20 1.08 sec, Eval/s = 109381.57 + UPDATING 420 + 4 e 63 408 etot -8.7133E+01 mv 0 18 64 0 0 rms 2.7 %NC 60. c 64 0.4 0.0 + 4 e 617 314 etot -8.3986E+01 mv 1 18 61 -139 0 rms 3.0 %NC 40. + 4 e 193 384 etot -8.6484E+01 mv 1 18 89 -30 0 rms 1.8 %NC 60. + 4 e 635 367 etot -8.3869E+01 mv 1 18 146 -31 0 rms 2.9 %NC 47. + 4 e 437 357 etot -8.6968E+01 mv 1 18 79 -66 0 rms 2.8 %NC 47. + 4 e 348 398 etot -8.5905E+01 mv 1 18 59 -148 0 rms 2.6 %NC 60. + 4 e 80 402 etot -8.8116E+01 mv 0 18 32 0 0 rms 2.3 %NC 60. c 32 0.6 0.0 + 4 e 388 365 etot -8.5366E+01 mv 1 18 92 -123 0 rms 3.1 %NC 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6.6 %NC 20. + 4 e 466 317 etot -8.8453E+01 mv 1 19 11 -60 0 rms 2.6 %NC 53. + 4 e 241 361 etot -8.5076E+01 mv 1 19 189 -137 0 rms 2.3 %NC 60. + 4 e 437 325 etot -8.1219E+01 mv 1 19 67 -139 0 rms 2.9 %NC 53. + 4 e 441 326 etot -8.5724E+01 mv 1 19 121 -15 0 rms 3.0 %NC 47. + 4 e 296 355 etot -8.6639E+01 mv 1 19 50 -181 0 rms 2.2 %NC 73. + 4 e 214 368 etot -8.6419E+01 mv 1 19 100 -123 0 rms 2.4 %NC 60. + 4 e 453 333 etot -8.7195E+01 mv 1 19 16 -77 0 rms 1.7 %NC 60. + 4 e 336 354 etot -8.6812E+01 mv 1 19 50 -23 0 rms 2.2 %NC 73. + 4 e 66 402 etot -8.9360E+01 mv 0 19 151 0 0 rms 2.3 %NC 53. c 151 0.6 0.0 + 4 e 220 374 etot -8.6156E+01 mv 1 19 145 -20 0 rms 1.8 %NC 67. + 4 e 323 356 etot -8.5628E+01 mv 1 19 96 -87 0 rms 1.5 %NC 60. + 4 e 271 348 etot -8.6994E+01 mv 1 19 173 -57 0 rms 2.8 %NC 60. + 4 e 538 319 etot -8.7492E+01 mv 1 19 11 -103 0 rms 2.6 %NC 53. + 4 e 516 283 etot -8.7706E+01 mv 2 19 1 -142 0 rms 3.0 %NC 60. + 4 e 256 372 etot -8.2304E+01 mv 1 19 145 -30 0 rms 1.8 %NC 67. + 4 e 154 390 etot -8.5960E+01 mv 1 19 25 -129 0 rms 2.3 %NC 47. c 25 2.2 0.0 +## N0 total= 20 close= 15 far= 0 %acc 75.0 +## N1 total= 100 close= 6 far= 2 %acc 8.0 +## N2 total= 100 close= 9 far= 1 %acc 10.0 +## N3 total= 0 close= 0 far= 0 %acc 0.0 +## N4 total= 0 close= 0 far= 0 %acc 0.0 +## N5 total= 0 close= 0 far= 0 %acc 0.0 +## N6 total= 200 close= 24 far= 3 %acc 13.5 +## N7 total= 0 close= 0 far= 0 %acc 0.0 +## N8 total= 0 close= 0 far= 0 %acc 0.0 +## N9 total= 0 close= 0 far= 0 %acc 0.0 +##N10 total= 0 close= 0 far= 0 %acc 0.0 +##N11 total= 0 close= 0 far= 0 %acc 0.0 +##N12 total= 0 close= 0 far= 0 %acc 0.0 +##N13 total= 0 close= 0 far= 0 %acc 0.0 +##N14 total= 0 close= 0 far= 0 %acc 0.0 +##N15 total= 0 close= 0 far= 0 %acc 0.0 +##N16 total= 0 close= 0 far= 0 %acc 0.0 +##N17 total= 0 close= 0 far= 0 %acc 0.0 +##N18 total= 0 close= 0 far= 0 %acc 0.0 + Time for refresh 20 0.45 + make_var : nseed= 20 ntry= 420 + Time for make trial 21 0.15 +Nonsetup time 26.43 sec, Eval/s = 94086.41 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%NC 67. c 173 0.3 0.0 + 4 e 458 333 etot -8.7053E+01 mv 1 20 165 -51 0 rms 2.4 %NC 60. + 4 e 246 366 etot -8.5748E+01 mv 1 20 124 -35 0 rms 2.4 %NC 60. c 124 1.7 0.0 + 4 e 227 371 etot -8.5466E+01 mv 1 20 66 -43 0 rms 2.2 %NC 60. + 4 e 138 380 etot -8.7517E+01 mv 1 20 91 -106 0 rms 2.8 %NC 53. c 91 1.5 0.0 + 4 e 556 308 etot -7.6153E+01 mv 1 20 84 -60 0 rms 2.3 %NC 53. + 4 e 319 361 etot -8.7393E+01 mv 1 20 40 -177 0 rms 2.8 %NC 67. + 4 e 119 396 etot -8.7147E+01 mv 1 20 132 -56 0 rms 2.2 %NC 60. + 4 e 745 288 etot -8.5369E+01 mv 2 20 162 -170 0 rms 2.7 %NC 47. + 4 e 515 330 etot -7.6446E+01 mv 1 20 10 -85 0 rms 2.0 %NC 53. + 4 e 435 342 etot -7.8350E+01 mv 1 20 100 -31 0 rms 4.9 %NC 40. + 4 e 252 372 etot -8.5485E+01 mv 1 20 66 -191 0 rms 2.1 %NC 53. +## N0 total= 20 close= 13 far= 0 %acc 65.0 +## N1 total= 100 close= 5 far= 3 %acc 8.0 +## N2 total= 100 close= 8 far= 1 %acc 9.0 +## N3 total= 0 close= 0 far= 0 %acc 0.0 +## N4 total= 0 close= 0 far= 0 %acc 0.0 +## N5 total= 0 close= 0 far= 0 %acc 0.0 +## N6 total= 200 close= 20 far= 10 %acc 15.0 +## N7 total= 0 close= 0 far= 0 %acc 0.0 +## N8 total= 0 close= 0 far= 0 %acc 0.0 +## N9 total= 0 close= 0 far= 0 %acc 0.0 +##N10 total= 0 close= 0 far= 0 %acc 0.0 +##N11 total= 0 close= 0 far= 0 %acc 0.0 +##N12 total= 0 close= 0 far= 0 %acc 0.0 +##N13 total= 0 close= 0 far= 0 %acc 0.0 +##N14 total= 0 close= 0 far= 0 %acc 0.0 +##N15 total= 0 close= 0 far= 0 %acc 0.0 +##N16 total= 0 close= 0 far= 0 %acc 0.0 +##N17 total= 0 close= 0 far= 0 %acc 0.0 +##N18 total= 0 close= 0 far= 0 %acc 0.0 + Time for refresh 21 0.29 + make_var : nseed= 20 ntry= 420 + Time for make trial 22 0.08 +Nonsetup time 27.54 sec, Eval/s = 94612.10 +Time for iter 22 1.11 sec, Eval/s = 107137.80 + UPDATING 420 + 4 e 525 329 etot -8.2525E+01 mv 1 20 10 -109 0 rms 2.6 %NC 53. + 4 e 52 419 etot -8.5695E+01 mv 0 20 123 0 0 rms 2.1 %NC 53. c 123 0.3 0.0 + 4 e 466 355 etot -8.6188E+01 mv 1 20 129 -56 0 rms 1.8 %NC 60. + 4 e 104 416 etot -8.7517E+01 mv 0 20 91 0 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e 309 358 etot -8.6476E+01 mv 1 21 147 -120 0 rms 1.9 %NC 67. + 4 e 256 368 etot -7.5164E+01 mv 1 21 94 -66 0 rms 7.1 %NC 33. + 4 e 432 341 etot -8.6417E+01 mv 1 21 93 -118 0 rms 3.2 %NC 53. + 4 e 226 376 etot -8.5816E+01 mv 1 21 145 -55 0 rms 1.8 %NC 67. + 4 e 295 362 etot -8.6530E+01 mv 1 21 31 -53 0 rms 3.3 %NC 60. + 4 e 93 403 etot -8.7203E+01 mv 0 21 132 0 0 rms 2.2 %NC 67. c 132 0.8 0.0 +## N0 total= 21 close= 14 far= 0 %acc 66.7 +## N1 total= 102 close= 3 far= 3 %acc 5.9 +## N2 total= 98 close= 8 far= 1 %acc 9.2 +## N3 total= 0 close= 0 far= 0 %acc 0.0 +## N4 total= 0 close= 0 far= 0 %acc 0.0 +## N5 total= 0 close= 0 far= 0 %acc 0.0 +## N6 total= 199 close= 19 far= 9 %acc 14.1 +## N7 total= 0 close= 0 far= 0 %acc 0.0 +## N8 total= 0 close= 0 far= 0 %acc 0.0 +## N9 total= 0 close= 0 far= 0 %acc 0.0 +##N10 total= 0 close= 0 far= 0 %acc 0.0 +##N11 total= 0 close= 0 far= 0 %acc 0.0 +##N12 total= 0 close= 0 far= 0 %acc 0.0 +##N13 total= 0 close= 0 far= 0 %acc 0.0 +##N14 total= 0 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0 rms 2.8 %NC 67. + 4 e 392 342 etot -7.8922E+01 mv 1 22 2 -169 0 rms 2.8 %NC 60. + 4 e 433 333 etot -8.1452E+01 mv 1 22 154 -100 0 rms 1.7 %NC 47. + 4 e 299 359 etot -8.3685E+01 mv 1 22 94 -137 0 rms 2.4 %NC 60. + 4 e 261 367 etot -8.6115E+01 mv 1 22 71 -138 0 rms 2.7 %NC 53. + 4 e 375 351 etot -8.6993E+01 mv 1 22 124 -196 0 rms 2.8 %NC 60. + 4 e 375 352 etot -8.7052E+01 mv 1 22 124 -196 0 rms 2.4 %NC 60. + 4 e 237 371 etot -8.6693E+01 mv 1 22 185 -169 0 rms 2.4 %NC 73. + 4 e 504 332 etot -8.7493E+01 mv 1 22 154 -129 0 rms 2.4 %NC 53. + 4 e 397 354 etot -8.5071E+01 mv 1 22 124 -157 0 rms 2.8 %NC 53. + 4 e 411 353 etot -8.8455E+01 mv 1 22 124 -122 0 rms 2.9 %NC 53. c 1 4.3 0.0 + 4 e 218 365 etot -8.6760E+01 mv 1 22 66 -138 0 rms 3.1 %NC 33. c 66 1.5 0.0 + 4 e 52 406 etot -8.7208E+01 mv 0 22 198 0 0 rms 2.1 %NC 67. + 4 e 387 357 etot -8.0575E+01 mv 1 22 94 -26 0 rms 1.6 %NC 47. + 4 e 362 327 etot -8.6921E+01 mv 1 22 198 -46 0 rms 2.1 %NC 73. + 4 e 491 343 etot -8.5669E+01 mv 1 22 2 -125 0 rms 2.8 %NC 60. + 4 e 118 401 etot -8.7498E+01 mv 0 22 163 0 0 rms 2.3 %NC 53. + 4 e 344 364 etot -8.5023E+01 mv 1 22 66 -140 0 rms 3.4 %NC 47. +## N0 total= 20 close= 12 far= 0 %acc 60.0 +## N1 total= 98 close= 5 far= 3 %acc 8.2 +## N2 total= 101 close= 10 far= 2 %acc 11.9 +## N3 total= 0 close= 0 far= 0 %acc 0.0 +## N4 total= 0 close= 0 far= 0 %acc 0.0 +## N5 total= 0 close= 0 far= 0 %acc 0.0 +## N6 total= 201 close= 18 far= 14 %acc 15.9 +## N7 total= 0 close= 0 far= 0 %acc 0.0 +## N8 total= 0 close= 0 far= 0 %acc 0.0 +## N9 total= 0 close= 0 far= 0 %acc 0.0 +##N10 total= 0 close= 0 far= 0 %acc 0.0 +##N11 total= 0 close= 0 far= 0 %acc 0.0 +##N12 total= 0 close= 0 far= 0 %acc 0.0 +##N13 total= 0 close= 0 far= 0 %acc 0.0 +##N14 total= 0 close= 0 far= 0 %acc 0.0 +##N15 total= 0 close= 0 far= 0 %acc 0.0 +##N16 total= 0 close= 0 far= 0 %acc 0.0 +##N17 total= 0 close= 0 far= 0 %acc 0.0 +##N18 total= 0 close= 0 far= 0 %acc 0.0 + Time for refresh 23 0.28 + make_var : nseed= 20 ntry= 420 + Time for make trial 24 0.11 +Nonsetup time 29.86 sec, Eval/s = 95982.15 +Time for iter 24 1.16 sec, Eval/s = 111166.92 + UPDATING 420 + 4 e 405 373 etot -8.5167E+01 mv 1 22 185 -179 0 rms 2.4 %NC 67. + 4 e 141 407 etot -8.7102E+01 mv 0 22 154 0 0 rms 2.4 %NC 53. + 4 e 177 420 etot -8.5993E+01 mv 0 22 75 0 0 rms 3.3 %NC 53. + 4 e 393 403 etot -9.0848E+01 mv 0 22 149 0 0 rms 2.3 %NC 53. + 4 e 522 340 etot -8.7516E+01 mv 1 22 187 -25 0 rms 2.6 %NC 47. c 72 2.0 0.0 + 4 e 367 398 etot -7.5716E+01 mv 1 22 75 -168 0 rms 4.5 %NC 40. + 4 e 250 393 etot -8.5902E+01 mv 1 22 123 -53 0 rms 2.8 %NC 47. + 4 e 288 377 etot -7.2057E+01 mv 1 22 181 -8 0 rms 7.1 %NC 27. + 4 e 426 388 etot -8.6115E+01 mv 1 22 38 -135 0 rms 1.9 %NC 67. + 4 e 87 419 etot -8.6002E+01 mv 0 22 123 0 0 rms 2.8 %NC 47. + 4 e 273 396 etot -8.5796E+01 mv 1 22 75 -64 0 rms 3.3 %NC 53. + 4 e 143 404 etot -8.7382E+01 mv 0 22 53 0 0 rms 3.3 %NC 53. + 4 e 125 415 etot -8.6693E+01 mv 0 22 185 0 0 rms 2.4 %NC 73. c 185 1.1 0.0 + 4 e 482 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%NC 80. +## N0 total= 18 close= 8 far= 0 %acc 44.4 +## N1 total= 102 close= 7 far= 4 %acc 10.8 +## N2 total= 100 close= 14 far= 1 %acc 15.0 +## N3 total= 0 close= 0 far= 0 %acc 0.0 +## N4 total= 0 close= 0 far= 0 %acc 0.0 +## N5 total= 0 close= 0 far= 0 %acc 0.0 +## N6 total= 200 close= 25 far= 10 %acc 17.5 +## N7 total= 0 close= 0 far= 0 %acc 0.0 +## N8 total= 0 close= 0 far= 0 %acc 0.0 +## N9 total= 0 close= 0 far= 0 %acc 0.0 +##N10 total= 0 close= 0 far= 0 %acc 0.0 +##N11 total= 0 close= 0 far= 0 %acc 0.0 +##N12 total= 0 close= 0 far= 0 %acc 0.0 +##N13 total= 0 close= 0 far= 0 %acc 0.0 +##N14 total= 0 close= 0 far= 0 %acc 0.0 +##N15 total= 0 close= 0 far= 0 %acc 0.0 +##N16 total= 0 close= 0 far= 0 %acc 0.0 +##N17 total= 0 close= 0 far= 0 %acc 0.0 +##N18 total= 0 close= 0 far= 0 %acc 0.0 + Time for refresh 24 0.41 + make_var : nseed= 20 ntry= 420 + Time for make trial 25 0.08 +Nonsetup time 31.12 sec, Eval/s = 96166.50 +Time for iter 25 1.26 sec, Eval/s = 100542.81 + UPDATING 420 + 4 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359 351 etot -7.4597E+01 mv 1 24 118 -10 0 rms 2.1 %NC 53. + 4 e 556 322 etot -8.8502E+01 mv 1 24 84 -155 0 rms 2.1 %NC 67. + 4 e 340 358 etot -8.7156E+01 mv 1 24 4 -90 0 rms 2.4 %NC 67. + 4 e 235 359 etot -8.6106E+01 mv 1 24 4 -53 0 rms 2.6 %NC 60. + 4 e 159 385 etot -8.6637E+01 mv 1 24 46 -126 0 rms 2.6 %NC 60. c 46 19.6 0.0 + 4 e 545 326 etot -7.8728E+01 mv 1 24 68 -173 0 rms 2.9 %NC 47. + 4 e 291 369 etot -8.4277E+01 mv 1 24 15 -114 0 rms 2.3 %NC 60. + 4 e 110 401 etot -8.6333E+01 mv 0 24 125 0 0 rms 2.2 %NC 67. + 4 e 292 346 etot -8.8185E+01 mv 1 24 1 -108 0 rms 2.9 %NC 53. + 4 e 381 357 etot -8.6187E+01 mv 1 24 4 -86 0 rms 2.4 %NC 67. + 4 e 115 402 etot -8.9118E+01 mv 0 24 126 0 0 rms 2.9 %NC 53. c 126 1.0 0.0 +## N0 total= 22 close= 14 far= 0 %acc 63.6 +## N1 total= 97 close= 5 far= 2 %acc 7.2 +## N2 total= 101 close= 13 far= 1 %acc 13.9 +## N3 total= 0 close= 0 far= 0 %acc 0.0 +## N4 total= 0 close= 0 far= 0 %acc 0.0 +## N5 total= 0 close= 0 far= 0 %acc 0.0 +## N6 total= 200 close= 27 far= 8 %acc 17.5 +## N7 total= 0 close= 0 far= 0 %acc 0.0 +## N8 total= 0 close= 0 far= 0 %acc 0.0 +## N9 total= 0 close= 0 far= 0 %acc 0.0 +##N10 total= 0 close= 0 far= 0 %acc 0.0 +##N11 total= 0 close= 0 far= 0 %acc 0.0 +##N12 total= 0 close= 0 far= 0 %acc 0.0 +##N13 total= 0 close= 0 far= 0 %acc 0.0 +##N14 total= 0 close= 0 far= 0 %acc 0.0 +##N15 total= 0 close= 0 far= 0 %acc 0.0 +##N16 total= 0 close= 0 far= 0 %acc 0.0 +##N17 total= 0 close= 0 far= 0 %acc 0.0 +##N18 total= 0 close= 0 far= 0 %acc 0.0 + Time for refresh 25 0.85 + make_var : nseed= 20 ntry= 420 + Time for make trial 26 0.34 +Nonsetup time 33.08 sec, Eval/s = 94273.23 +Time for iter 26 1.96 sec, Eval/s = 64289.59 + UPDATING 420 + 4 e 103 420 etot -8.6366E+01 mv 0 24 75 0 0 rms 3.3 %NC 53. + 4 e 120 415 etot -8.6834E+01 mv 0 24 38 0 0 rms 2.8 %NC 53. c 38 0.9 0.0 + 4 e 280 400 etot -8.6365E+01 mv 1 24 75 -177 0 rms 3.3 %NC 53. + 4 e 498 378 etot -8.0066E+01 mv 1 24 141 -184 0 rms 1.9 %NC 73. + 4 e 447 347 etot 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2.2 %NC 60. + 4 e 432 349 etot -8.6846E+01 mv 1 25 106 -183 0 rms 2.0 %NC 60. + 4 e 576 332 etot -8.3950E+01 mv 1 25 36 -174 0 rms 2.8 %NC 67. + 4 e 86 402 etot -8.8796E+01 mv 0 25 84 0 0 rms 2.2 %NC 67. c 84 0.6 0.0 + 4 e 437 350 etot -8.7258E+01 mv 1 25 106 -62 0 rms 2.6 %NC 60. +## N0 total= 20 close= 13 far= 0 %acc 65.0 +## N1 total= 102 close= 4 far= 1 %acc 4.9 +## N2 total= 98 close= 11 far= 1 %acc 12.2 +## N3 total= 0 close= 0 far= 0 %acc 0.0 +## N4 total= 0 close= 0 far= 0 %acc 0.0 +## N5 total= 0 close= 0 far= 0 %acc 0.0 +## N6 total= 200 close= 21 far= 7 %acc 14.0 +## N7 total= 0 close= 0 far= 0 %acc 0.0 +## N8 total= 0 close= 0 far= 0 %acc 0.0 +## N9 total= 0 close= 0 far= 0 %acc 0.0 +##N10 total= 0 close= 0 far= 0 %acc 0.0 +##N11 total= 0 close= 0 far= 0 %acc 0.0 +##N12 total= 0 close= 0 far= 0 %acc 0.0 +##N13 total= 0 close= 0 far= 0 %acc 0.0 +##N14 total= 0 close= 0 far= 0 %acc 0.0 +##N15 total= 0 close= 0 far= 0 %acc 0.0 +##N16 total= 0 close= 0 far= 0 %acc 0.0 +##N17 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total= 0 close= 0 far= 0 %acc 0.0 +## N4 total= 0 close= 0 far= 0 %acc 0.0 +## N5 total= 0 close= 0 far= 0 %acc 0.0 +## N6 total= 200 close= 10 far= 4 %acc 7.0 +## N7 total= 0 close= 0 far= 0 %acc 0.0 +## N8 total= 0 close= 0 far= 0 %acc 0.0 +## N9 total= 0 close= 0 far= 0 %acc 0.0 +##N10 total= 0 close= 0 far= 0 %acc 0.0 +##N11 total= 0 close= 0 far= 0 %acc 0.0 +##N12 total= 0 close= 0 far= 0 %acc 0.0 +##N13 total= 0 close= 0 far= 0 %acc 0.0 +##N14 total= 0 close= 0 far= 0 %acc 0.0 +##N15 total= 0 close= 0 far= 0 %acc 0.0 +##N16 total= 0 close= 0 far= 0 %acc 0.0 +##N17 total= 0 close= 0 far= 0 %acc 0.0 +##N18 total= 0 close= 0 far= 0 %acc 0.0 + Time for refresh 27 0.32 + make_var : nseed= 20 ntry= 420 + Time for make trial 28 0.09 +Nonsetup time 35.35 sec, Eval/s = 95392.75 +Time for iter 28 1.18 sec, Eval/s = 108348.83 + UPDATING 420 + 4 e 513 349 etot -8.8851E+01 mv 1 26 132 -169 0 rms 2.1 %NC 60. + 4 e 560 333 etot -8.9290E+01 mv 1 26 111 -95 0 rms 2.3 %NC 47. + 4 e 87 410 etot 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390 etot -8.8196E+01 mv 1 27 26 -21 0 rms 2.3 %NC 47. + 4 e 16 410 etot -8.9530E+01 mv 0 27 12 0 0 rms 2.6 %NC 47. c 12 0.0 0.0 + 4 e 208 381 etot -8.8221E+01 mv 1 27 29 -71 0 rms 2.4 %NC 53. + 4 e 368 351 etot -8.6882E+01 mv 1 27 193 72 0 rms 2.0 %NC 60. + 4 e 648 233 etot -8.1662E+01 mv 2 27 188 -61 0 rms 2.7 %NC 60. + 4 e 17 412 etot -8.8501E+01 mv 0 27 11 0 0 rms 2.8 %NC 53. c 11 0.0 0.0 +## N0 total= 19 close= 17 far= 0 %acc 89.5 +## N1 total= 101 close= 2 far= 1 %acc 3.0 +## N2 total= 100 close= 6 far= 3 %acc 9.0 +## N3 total= 0 close= 0 far= 0 %acc 0.0 +## N4 total= 0 close= 0 far= 0 %acc 0.0 +## N5 total= 0 close= 0 far= 0 %acc 0.0 +## N6 total= 200 close= 16 far= 7 %acc 11.5 +## N7 total= 0 close= 0 far= 0 %acc 0.0 +## N8 total= 0 close= 0 far= 0 %acc 0.0 +## N9 total= 0 close= 0 far= 0 %acc 0.0 +##N10 total= 0 close= 0 far= 0 %acc 0.0 +##N11 total= 0 close= 0 far= 0 %acc 0.0 +##N12 total= 0 close= 0 far= 0 %acc 0.0 +##N13 total= 0 close= 0 far= 0 %acc 0.0 +##N14 total= 0 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88 etot -8.7523E+01 mv 6 28 118 157 0 rms 2.9 %NC 47. + 4 e 415 96 etot -7.6201E+01 mv 6 28 129 141 0 rms 2.2 %NC 67. + 4 e 536 81 etot -8.7070E+01 mv 6 28 118 159 0 rms 2.6 %NC 53. + 4 e 299 120 etot -8.0232E+01 mv 6 28 157 166 0 rms 3.5 %NC 47. + 4 e 250 128 etot -8.8643E+01 mv 6 28 162 189 0 rms 2.1 %NC 67. + 4 e 369 100 etot -7.6475E+01 mv 6 28 129 67 0 rms 3.9 %NC 33. + 4 e 518 82 etot -8.8204E+01 mv 6 28 118 89 0 rms 2.6 %NC 40. + 4 e 284 123 etot -8.7598E+01 mv 6 28 162 44 0 rms 2.0 %NC 67. + 4 e 314 92 etot -8.7360E+01 mv 6 28 129 82 0 rms 2.8 %NC 67. + 4 e 284 109 etot -8.9088E+01 mv 6 28 145 107 0 rms 3.0 %NC 60. + 4 e 372 113 etot -8.9062E+01 mv 6 28 157 59 0 rms 3.0 %NC 67. + 4 e 184 145 etot -8.9462E+01 mv 6 28 197 152 0 rms 2.3 %NC 60. + 4 e 544 84 etot -8.4748E+01 mv 6 28 118 155 0 rms 2.7 %NC 73. + 4 e 402 114 etot -8.7579E+01 mv 6 28 157 39 0 rms 3.3 %NC 53. + 4 e 217 122 etot -8.7688E+01 mv 6 28 162 72 0 rms 2.1 %NC 60. + 4 e 265 134 etot -8.8918E+01 mv 6 28 172 77 0 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total= 101 close= 5 far= 2 %acc 6.9 +## N2 total= 100 close= 8 far= 1 %acc 9.0 +## N3 total= 0 close= 0 far= 0 %acc 0.0 +## N4 total= 0 close= 0 far= 0 %acc 0.0 +## N5 total= 0 close= 0 far= 0 %acc 0.0 +## N6 total= 200 close= 19 far= 3 %acc 11.0 +## N7 total= 0 close= 0 far= 0 %acc 0.0 +## N8 total= 0 close= 0 far= 0 %acc 0.0 +## N9 total= 0 close= 0 far= 0 %acc 0.0 +##N10 total= 0 close= 0 far= 0 %acc 0.0 +##N11 total= 0 close= 0 far= 0 %acc 0.0 +##N12 total= 0 close= 0 far= 0 %acc 0.0 +##N13 total= 0 close= 0 far= 0 %acc 0.0 +##N14 total= 0 close= 0 far= 0 %acc 0.0 +##N15 total= 0 close= 0 far= 0 %acc 0.0 +##N16 total= 0 close= 0 far= 0 %acc 0.0 +##N17 total= 0 close= 0 far= 0 %acc 0.0 +##N18 total= 0 close= 0 far= 0 %acc 0.0 + Time for refresh 29 0.34 + make_var : nseed= 20 ntry= 420 + Time for make trial 30 0.05 +Nonsetup time 37.58 sec, Eval/s = 96379.80 +Time for iter 30 1.14 sec, Eval/s = 108003.17 + UPDATING 420 + 4 e 318 397 etot -8.5324E+01 mv 1 28 107 -191 0 rms 2.4 %NC 53. 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rms 2.8 %NC 53. + 4 e 272 373 etot -8.6375E+01 mv 1 29 50 13 0 rms 2.1 %NC 80. + 4 e 636 302 etot -8.4801E+01 mv 1 29 4 -32 0 rms 2.5 %NC 60. + 4 e 196 390 etot -9.0235E+01 mv 1 29 117 157 0 rms 2.1 %NC 53. + 4 e 422 347 etot -8.7734E+01 mv 1 29 125 -119 0 rms 2.9 %NC 47. +## N0 total= 21 close= 13 far= 0 %acc 61.9 +## N1 total= 99 close= 6 far= 1 %acc 7.1 +## N2 total= 100 close= 6 far= 0 %acc 6.0 +## N3 total= 0 close= 0 far= 0 %acc 0.0 +## N4 total= 0 close= 0 far= 0 %acc 0.0 +## N5 total= 0 close= 0 far= 0 %acc 0.0 +## N6 total= 200 close= 12 far= 3 %acc 7.5 +## N7 total= 0 close= 0 far= 0 %acc 0.0 +## N8 total= 0 close= 0 far= 0 %acc 0.0 +## N9 total= 0 close= 0 far= 0 %acc 0.0 +##N10 total= 0 close= 0 far= 0 %acc 0.0 +##N11 total= 0 close= 0 far= 0 %acc 0.0 +##N12 total= 0 close= 0 far= 0 %acc 0.0 +##N13 total= 0 close= 0 far= 0 %acc 0.0 +##N14 total= 0 close= 0 far= 0 %acc 0.0 +##N15 total= 0 close= 0 far= 0 %acc 0.0 +##N16 total= 0 close= 0 far= 0 %acc 0.0 +##N17 total= 0 close= 0 far= 0 %acc 0.0 +##N18 total= 0 close= 0 far= 0 %acc 0.0 + Time for refresh 30 0.26 + make_var : nseed= 20 ntry= 420 + Time for make trial 31 0.05 +Nonsetup time 38.64 sec, Eval/s = 96982.54 +Time for iter 31 1.06 sec, Eval/s = 118378.75 + UPDATING 420 + 4 e 353 396 etot -9.0744E+01 mv 1 29 89 -135 0 rms 2.3 %NC 47. + 4 e 248 400 etot -8.8983E+01 mv 1 29 89 -5 0 rms 2.2 %NC 53. + 4 e 750 357 etot -8.4084E+01 mv 1 29 145 -191 0 rms 2.5 %NC 53. + 4 e 537 355 etot -8.7290E+01 mv 1 29 134 -78 0 rms 1.8 %NC 67. + 4 e 166 397 etot -8.8982E+01 mv 1 29 89 150 0 rms 2.2 %NC 53. + 4 e 100 408 etot -8.7572E+01 mv 0 29 109 0 0 rms 2.6 %NC 60. c 109 1.3 0.0 + 4 e 387 358 etot -8.9061E+01 mv 1 29 145 -88 0 rms 3.0 %NC 67. + 4 e 385 369 etot -8.7755E+01 mv 1 29 186 -98 0 rms 2.4 %NC 53. f 138 74.4 1.1 + 4 e 498 411 etot -8.7588E+01 mv 0 29 134 0 0 rms 2.8 %NC 67. + 4 e 81 414 etot -8.6943E+01 mv 0 29 186 0 0 rms 2.9 %NC 53. c 186 0.7 0.0 + 4 e 246 389 etot -8.9360E+01 mv 1 29 117 193 0 rms 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c 197 0.0 0.0 + 4 e 394 347 etot -8.7798E+01 mv 1 30 197 -61 0 rms 2.4 %NC 53. + 4 e 33 409 etot -9.0235E+01 mv 0 30 117 0 0 rms 2.1 %NC 53. + 4 e 269 361 etot -8.8927E+01 mv 1 30 191 -63 0 rms 2.8 %NC 47. + 4 e 286 360 etot -8.8713E+01 mv 1 30 193 -170 0 rms 2.9 %NC 67. + 4 e 163 376 etot -8.8613E+01 mv 1 30 81 -50 0 rms 2.8 %NC 53. + 4 e 323 357 etot -8.8713E+01 mv 1 30 193 43 0 rms 2.9 %NC 67. + 4 e 268 363 etot -8.8926E+01 mv 1 30 191 112 0 rms 2.8 %NC 47. + 4 e 531 323 etot -8.8765E+01 mv 1 30 97 -124 0 rms 2.7 %NC 53. + 4 e 15 413 etot -8.8927E+01 mv 0 30 191 0 0 rms 2.8 %NC 47. c 191 0.0 0.0 +## N0 total= 21 close= 14 far= 0 %acc 66.7 +## N1 total= 100 close= 2 far= 2 %acc 4.0 +## N2 total= 99 close= 5 far= 0 %acc 5.1 +## N3 total= 0 close= 0 far= 0 %acc 0.0 +## N4 total= 0 close= 0 far= 0 %acc 0.0 +## N5 total= 0 close= 0 far= 0 %acc 0.0 +## N6 total= 200 close= 13 far= 6 %acc 9.5 +## N7 total= 0 close= 0 far= 0 %acc 0.0 +## N8 total= 0 close= 0 far= 0 %acc 0.0 +## N9 total= 0 close= 0 far= 0 %acc 0.0 +##N10 total= 0 close= 0 far= 0 %acc 0.0 +##N11 total= 0 close= 0 far= 0 %acc 0.0 +##N12 total= 0 close= 0 far= 0 %acc 0.0 +##N13 total= 0 close= 0 far= 0 %acc 0.0 +##N14 total= 0 close= 0 far= 0 %acc 0.0 +##N15 total= 0 close= 0 far= 0 %acc 0.0 +##N16 total= 0 close= 0 far= 0 %acc 0.0 +##N17 total= 0 close= 0 far= 0 %acc 0.0 +##N18 total= 0 close= 0 far= 0 %acc 0.0 + Time for refresh 31 0.48 + make_var : nseed= 20 ntry= 420 + Time for make trial 32 0.05 +Nonsetup time 39.94 sec, Eval/s = 96920.65 +Time for iter 32 1.30 sec, Eval/s = 95087.90 + UPDATING 420 + 4 e 245 380 etot -8.8612E+01 mv 1 30 81 -177 0 rms 2.8 %NC 53. + 4 e 67 414 etot -8.8680E+01 mv 0 30 26 0 0 rms 2.3 %NC 53. c 26 0.4 0.0 + 4 e 450 387 etot -8.8261E+01 mv 1 30 75 -70 0 rms 2.4 %NC 60. + 4 e 410 377 etot -8.8335E+01 mv 1 30 81 65 0 rms 2.8 %NC 53. + 4 e 121 406 etot -8.7383E+01 mv 0 30 145 0 0 rms 2.8 %NC 67. + 4 e 322 362 etot -8.8926E+01 mv 1 30 191 -13 0 rms 2.8 %NC 47. + 4 e 222 385 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629 290 etot -8.4080E+01 mv 2 31 11 166 0 rms 2.6 %NC 47. + 4 e 420 333 etot -8.7128E+01 mv 1 31 102 -85 0 rms 2.3 %NC 60. + 4 e 215 368 etot -8.9813E+01 mv 1 31 197 -101 0 rms 2.3 %NC 47. + 4 e 510 322 etot -8.4543E+01 mv 1 31 90 -175 0 rms 3.1 %NC 53. + 4 e 201 373 etot -8.8891E+01 mv 1 31 1 103 0 rms 2.8 %NC 53. + 4 e 555 315 etot -8.6682E+01 mv 1 31 72 -173 0 rms 2.8 %NC 40. + 4 e 173 385 etot -8.8414E+01 mv 1 31 75 -88 0 rms 2.1 %NC 67. + 4 e 310 311 etot -8.7536E+01 mv 1 31 72 -139 0 rms 2.6 %NC 47. + 4 e 68 404 etot -8.7705E+01 mv 0 31 79 0 0 rms 2.3 %NC 60. c 79 0.5 0.0 + 4 e 336 361 etot -9.0234E+01 mv 1 31 117 -54 0 rms 2.1 %NC 53. + 4 e 275 367 etot -8.9358E+01 mv 1 31 197 194 0 rms 2.4 %NC 53. + 4 e 162 391 etot -8.8306E+01 mv 1 31 67 -17 0 rms 2.6 %NC 47. + 4 e 10 413 etot -9.0235E+01 mv 0 31 117 0 0 rms 2.1 %NC 53. c 117 0.0 0.0 + 4 e 10 414 etot -8.9813E+01 mv 0 31 197 0 0 rms 2.3 %NC 47. c 197 0.0 0.0 + 4 e 605 313 etot -8.8468E+01 mv 1 31 72 -77 0 rms 2.7 %NC 53. +## N0 total= 20 close= 14 far= 0 %acc 70.0 +## N1 total= 99 close= 1 far= 1 %acc 2.0 +## N2 total= 101 close= 6 far= 0 %acc 5.9 +## N3 total= 0 close= 0 far= 0 %acc 0.0 +## N4 total= 0 close= 0 far= 0 %acc 0.0 +## N5 total= 0 close= 0 far= 0 %acc 0.0 +## N6 total= 200 close= 23 far= 3 %acc 13.0 +## N7 total= 0 close= 0 far= 0 %acc 0.0 +## N8 total= 0 close= 0 far= 0 %acc 0.0 +## N9 total= 0 close= 0 far= 0 %acc 0.0 +##N10 total= 0 close= 0 far= 0 %acc 0.0 +##N11 total= 0 close= 0 far= 0 %acc 0.0 +##N12 total= 0 close= 0 far= 0 %acc 0.0 +##N13 total= 0 close= 0 far= 0 %acc 0.0 +##N14 total= 0 close= 0 far= 0 %acc 0.0 +##N15 total= 0 close= 0 far= 0 %acc 0.0 +##N16 total= 0 close= 0 far= 0 %acc 0.0 +##N17 total= 0 close= 0 far= 0 %acc 0.0 +##N18 total= 0 close= 0 far= 0 %acc 0.0 + Time for refresh 32 0.34 + make_var : nseed= 20 ntry= 420 + Time for make trial 33 0.10 +Nonsetup time 41.11 sec, Eval/s = 97050.76 +Time for iter 33 1.16 sec, Eval/s = 101515.17 + UPDATING 420 + 4 e 407 378 etot 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%NC 47. c 82 0.0 0.0 + 4 e 144 389 etot -8.8400E+01 mv 1 32 75 -168 0 rms 2.1 %NC 67. + 4 e 12 413 etot -8.8927E+01 mv 0 32 191 0 0 rms 2.8 %NC 47. c 191 0.0 0.0 + 4 e 13 415 etot -8.9530E+01 mv 0 32 12 0 0 rms 2.6 %NC 47. c 12 0.0 0.0 + 4 e 475 333 etot -8.8261E+01 mv 1 32 137 -89 0 rms 2.4 %NC 60. +## N0 total= 22 close= 12 far= 0 %acc 54.5 +## N1 total= 99 close= 3 far= 1 %acc 4.0 +## N2 total= 99 close= 3 far= 0 %acc 3.0 +## N3 total= 0 close= 0 far= 0 %acc 0.0 +## N4 total= 0 close= 0 far= 0 %acc 0.0 +## N5 total= 0 close= 0 far= 0 %acc 0.0 +## N6 total= 200 close= 11 far= 4 %acc 7.5 +## N7 total= 0 close= 0 far= 0 %acc 0.0 +## N8 total= 0 close= 0 far= 0 %acc 0.0 +## N9 total= 0 close= 0 far= 0 %acc 0.0 +##N10 total= 0 close= 0 far= 0 %acc 0.0 +##N11 total= 0 close= 0 far= 0 %acc 0.0 +##N12 total= 0 close= 0 far= 0 %acc 0.0 +##N13 total= 0 close= 0 far= 0 %acc 0.0 +##N14 total= 0 close= 0 far= 0 %acc 0.0 +##N15 total= 0 close= 0 far= 0 %acc 0.0 +##N16 total= 0 close= 0 far= 0 %acc 0.0 +##N17 total= 0 close= 0 far= 0 %acc 0.0 +##N18 total= 0 close= 0 far= 0 %acc 0.0 + Time for refresh 33 0.29 + make_var : nseed= 20 ntry= 420 + Time for make trial 34 0.10 +Nonsetup time 42.23 sec, Eval/s = 97374.36 +Time for iter 34 1.12 sec, Eval/s = 109198.22 + UPDATING 420 + 4 e 213 379 etot -8.8853E+01 mv 1 32 120 56 0 rms 2.1 %NC 60. + 4 e 338 377 etot -8.7417E+01 mv 1 32 120 -110 0 rms 2.4 %NC 53. + 4 e 632 300 etot -8.6494E+01 mv 2 32 152 -105 0 rms 2.1 %NC 53. + 4 e 575 329 etot -8.4816E+01 mv 1 32 130 -42 0 rms 2.1 %NC 53. + 4 e 331 391 etot -8.9812E+01 mv 1 32 197 163 0 rms 2.3 %NC 47. + 4 e 278 370 etot -8.8411E+01 mv 1 32 193 -159 0 rms 2.9 %NC 60. + 4 e 19 414 etot -8.8896E+01 mv 0 32 193 0 0 rms 2.7 %NC 60. c 193 0.0 0.0 + 4 e 589 345 etot -8.8498E+01 mv 1 32 145 -41 0 rms 2.8 %NC 53. + 4 e 268 392 etot -8.9698E+01 mv 1 32 197 -169 0 rms 2.3 %NC 40. + 4 e 122 406 etot -8.7180E+01 mv 0 32 130 0 0 rms 2.6 %NC 47. c 130 0.6 0.0 + 4 e 511 342 etot -8.8711E+01 mv 1 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etot -9.0235E+01 mv 0 33 117 0 0 rms 2.1 %NC 53. + 4 e 2 411 etot -8.9462E+01 mv 0 33 152 0 0 rms 2.3 %NC 60. + 4 e 10 412 etot -8.8927E+01 mv 0 33 191 0 0 rms 2.8 %NC 47. c 191 0.0 0.0 + 4 e 671 302 etot -8.8083E+01 mv 1 33 2 -133 0 rms 3.0 %NC 60. + 4 e 359 354 etot -8.9461E+01 mv 1 33 152 34 0 rms 2.3 %NC 60. + 4 e 448 341 etot -8.8948E+01 mv 1 33 40 99 0 rms 3.0 %NC 67. + 4 e 253 372 etot -8.7786E+01 mv 1 33 26 53 0 rms 2.3 %NC 53. + 4 e 19 414 etot -8.8896E+01 mv 0 33 193 0 0 rms 2.7 %NC 60. + 4 e 239 375 etot -8.8680E+01 mv 1 33 26 -109 0 rms 2.3 %NC 53. +## N0 total= 19 close= 13 far= 0 %acc 68.4 +## N1 total= 100 close= 2 far= 1 %acc 3.0 +## N2 total= 101 close= 8 far= 1 %acc 8.9 +## N3 total= 0 close= 0 far= 0 %acc 0.0 +## N4 total= 0 close= 0 far= 0 %acc 0.0 +## N5 total= 0 close= 0 far= 0 %acc 0.0 +## N6 total= 200 close= 11 far= 5 %acc 8.0 +## N7 total= 0 close= 0 far= 0 %acc 0.0 +## N8 total= 0 close= 0 far= 0 %acc 0.0 +## N9 total= 0 close= 0 far= 0 %acc 0.0 +##N10 total= 0 close= 0 far= 0 %acc 0.0 +##N11 total= 0 close= 0 far= 0 %acc 0.0 +##N12 total= 0 close= 0 far= 0 %acc 0.0 +##N13 total= 0 close= 0 far= 0 %acc 0.0 +##N14 total= 0 close= 0 far= 0 %acc 0.0 +##N15 total= 0 close= 0 far= 0 %acc 0.0 +##N16 total= 0 close= 0 far= 0 %acc 0.0 +##N17 total= 0 close= 0 far= 0 %acc 0.0 +##N18 total= 0 close= 0 far= 0 %acc 0.0 + Time for refresh 34 0.28 + make_var : nseed= 20 ntry= 420 + Time for make trial 35 0.08 +Nonsetup time 43.36 sec, Eval/s = 97705.25 +Time for iter 35 1.12 sec, Eval/s = 110126.22 + UPDATING 420 + 4 e 73 413 etot -8.9088E+01 mv 0 33 83 0 0 rms 3.0 %NC 60. c 83 0.2 0.0 + 4 e 314 399 etot -8.7856E+01 mv 1 33 6 140 0 rms 2.6 %NC 53. + 4 e 617 382 etot -8.5323E+01 mv 1 33 81 -149 0 rms 2.5 %NC 60. + 4 e 481 362 etot -8.8084E+01 mv 1 33 83 81 0 rms 3.0 %NC 60. + 4 e 264 391 etot -8.7942E+01 mv 1 33 46 -34 0 rms 2.3 %NC 47. + 4 e 14 417 etot -8.8613E+01 mv 0 33 81 0 0 rms 2.8 %NC 53. c 81 0.0 0.0 + 4 e 245 390 etot -8.9853E+01 mv 1 33 75 132 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total= 19 close= 13 far= 0 %acc 68.4 +## N1 total= 101 close= 3 far= 2 %acc 5.0 +## N2 total= 100 close= 3 far= 1 %acc 4.0 +## N3 total= 0 close= 0 far= 0 %acc 0.0 +## N4 total= 0 close= 0 far= 0 %acc 0.0 +## N5 total= 0 close= 0 far= 0 %acc 0.0 +## N6 total= 200 close= 22 far= 3 %acc 12.5 +## N7 total= 0 close= 0 far= 0 %acc 0.0 +## N8 total= 0 close= 0 far= 0 %acc 0.0 +## N9 total= 0 close= 0 far= 0 %acc 0.0 +##N10 total= 0 close= 0 far= 0 %acc 0.0 +##N11 total= 0 close= 0 far= 0 %acc 0.0 +##N12 total= 0 close= 0 far= 0 %acc 0.0 +##N13 total= 0 close= 0 far= 0 %acc 0.0 +##N14 total= 0 close= 0 far= 0 %acc 0.0 +##N15 total= 0 close= 0 far= 0 %acc 0.0 +##N16 total= 0 close= 0 far= 0 %acc 0.0 +##N17 total= 0 close= 0 far= 0 %acc 0.0 +##N18 total= 0 close= 0 far= 0 %acc 0.0 + Time for refresh 35 0.33 + make_var : nseed= 20 ntry= 420 + Time for make trial 36 0.05 +Nonsetup time 44.47 sec, Eval/s = 97975.82 +Time for iter 36 1.12 sec, Eval/s = 108475.97 + UPDATING 420 + 4 e 502 400 etot 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319 etot -8.7866E+01 mv 1 35 47 -37 0 rms 3.1 %NC 53. f 50 60.2 1.1 + 4 e 342 346 etot -8.7535E+01 mv 1 35 72 -84 0 rms 2.6 %NC 47. + 4 e 479 312 etot -8.6997E+01 mv 1 35 44 -192 0 rms 2.9 %NC 60. + 4 e 523 305 etot -8.7112E+01 mv 1 35 2 -58 0 rms 2.1 %NC 67. + 4 e 162 377 etot -7.6162E+01 mv 1 35 188 -55 0 rms 5.3 %NC 40. + 4 e 319 355 etot -8.9646E+01 mv 1 35 78 -143 0 rms 2.9 %NC 60. + 4 e 383 350 etot -8.4689E+01 mv 1 35 72 -135 0 rms 2.6 %NC 60. + 4 e 167 380 etot -8.6587E+01 mv 1 35 188 -129 0 rms 3.5 %NC 53. + 4 e 552 306 etot -8.9051E+01 mv 1 35 43 -194 0 rms 3.0 %NC 67. + 4 e 249 368 etot -8.5771E+01 mv 1 35 135 -180 0 rms 2.8 %NC 60. + 4 e 256 369 etot -8.6656E+01 mv 1 35 135 -130 0 rms 2.8 %NC 67. + 4 e 462 337 etot -8.3978E+01 mv 1 35 70 -46 0 rms 2.5 %NC 60. + 4 e 305 359 etot -8.7173E+01 mv 1 35 111 -139 0 rms 2.6 %NC 53. + 4 e 297 365 etot -8.7425E+01 mv 1 35 123 -31 0 rms 2.9 %NC 47. + 4 e 452 342 etot -8.3444E+01 mv 1 35 71 -115 0 rms 1.8 %NC 53. + 4 e 39 406 etot -8.8057E+01 mv 0 35 57 0 0 rms 2.1 %NC 53. c 57 0.2 0.0 + 4 e 410 354 etot -8.9646E+01 mv 1 35 78 -174 0 rms 2.9 %NC 60. + 4 e 209 385 etot -8.6719E+01 mv 1 35 85 -185 0 rms 2.1 %NC 53. + 4 e 317 361 etot -8.3448E+01 mv 1 35 123 -54 0 rms 3.3 %NC 33. + 4 e 209 383 etot -8.6925E+01 mv 1 35 85 71 0 rms 2.1 %NC 53. + 4 e 85 404 etot -8.7893E+01 mv 0 35 47 0 0 rms 3.1 %NC 60. c 47 1.2 0.0 +## N0 total= 19 close= 11 far= 0 %acc 57.9 +## N1 total= 101 close= 4 far= 2 %acc 5.9 +## N2 total= 100 close= 12 far= 0 %acc 12.0 +## N3 total= 0 close= 0 far= 0 %acc 0.0 +## N4 total= 0 close= 0 far= 0 %acc 0.0 +## N5 total= 0 close= 0 far= 0 %acc 0.0 +## N6 total= 200 close= 18 far= 0 %acc 9.0 +## N7 total= 0 close= 0 far= 0 %acc 0.0 +## N8 total= 0 close= 0 far= 0 %acc 0.0 +## N9 total= 0 close= 0 far= 0 %acc 0.0 +##N10 total= 0 close= 0 far= 0 %acc 0.0 +##N11 total= 0 close= 0 far= 0 %acc 0.0 +##N12 total= 0 close= 0 far= 0 %acc 0.0 +##N13 total= 0 close= 0 far= 0 %acc 0.0 +##N14 total= 0 close= 0 far= 0 %acc 0.0 +##N15 total= 0 close= 0 far= 0 %acc 0.0 +##N16 total= 0 close= 0 far= 0 %acc 0.0 +##N17 total= 0 close= 0 far= 0 %acc 0.0 +##N18 total= 0 close= 0 far= 0 %acc 0.0 + Time for refresh 36 0.29 + make_var : nseed= 20 ntry= 420 + Time for make trial 37 0.09 +Nonsetup time 45.58 sec, Eval/s = 98272.05 +Time for iter 37 1.11 sec, Eval/s = 110189.46 + UPDATING 420 + 4 e 133 402 etot -8.8071E+01 mv 0 35 43 0 0 rms 2.8 %NC 67. c 43 0.9 0.0 + 4 e 404 376 etot -7.8244E+01 mv 1 35 188 -93 0 rms 3.8 %NC 40. + 4 e 105 416 etot -8.7104E+01 mv 0 35 188 0 0 rms 3.5 %NC 47. c 188 0.9 0.0 + 4 e 293 398 etot -8.7503E+01 mv 1 35 193 -119 0 rms 2.4 %NC 60. + 4 e 283 373 etot -8.5874E+01 mv 1 35 169 -64 0 rms 2.5 %NC 47. + 4 e 270 386 etot -8.9359E+01 mv 1 35 152 166 0 rms 2.3 %NC 53. + 4 e 136 411 etot -8.9647E+01 mv 0 35 78 0 0 rms 2.9 %NC 60. c 78 0.9 0.0 + 4 e 422 362 etot -8.2957E+01 mv 1 35 123 -165 0 rms 2.0 %NC 60. + 4 e 181 395 etot -8.9530E+01 mv 1 35 12 84 0 rms 2.6 %NC 47. + 4 e 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mv 1 36 111 -177 0 rms 2.6 %NC 53. + 4 e 207 358 etot -8.8116E+01 mv 1 36 32 47 0 rms 2.3 %NC 60. + 4 e 247 357 etot -6.8148E+01 mv 1 36 32 181 0 rms 3.2 %NC 47. + 4 e 235 360 etot -8.7300E+01 mv 1 36 32 -89 0 rms 2.3 %NC 60. + 4 e 425 329 etot -8.2331E+01 mv 1 36 70 -122 0 rms 4.3 %NC 27. + 4 e 200 366 etot -8.9529E+01 mv 1 36 12 134 0 rms 2.6 %NC 47. + 4 e 487 323 etot -8.1525E+01 mv 1 36 50 -138 0 rms 3.0 %NC 40. + 4 e 689 287 etot -8.4309E+01 mv 2 36 89 195 0 rms 2.0 %NC 60. + 4 e 387 339 etot -8.8410E+01 mv 1 36 141 -167 0 rms 2.9 %NC 60. + 4 e 277 356 etot -8.8116E+01 mv 1 36 32 -183 0 rms 2.3 %NC 60. + 4 e 364 343 etot -8.7450E+01 mv 1 36 143 -196 0 rms 2.2 %NC 53. + 4 e 483 280 etot -8.8094E+01 mv 2 36 83 169 0 rms 2.7 %NC 60. + 4 e 381 342 etot -8.8666E+01 mv 1 36 143 -105 0 rms 2.1 %NC 53. + 4 e 451 333 etot -8.6232E+01 mv 1 36 111 -112 0 rms 3.1 %NC 40. + 4 e 184 375 etot -6.2966E+01 mv 1 36 197 57 0 rms 2.3 %NC 33. + 4 e 494 327 etot -8.0040E+01 mv 1 36 70 -22 0 rms 3.8 %NC 47. + 4 e 605 308 etot -8.7775E+01 mv 1 36 36 -97 0 rms 2.6 %NC 47. c 36 19.5 0.0 + 4 e 264 364 etot -9.0235E+01 mv 1 36 117 23 0 rms 2.1 %NC 53. + 4 e 256 368 etot -8.9530E+01 mv 1 36 12 194 0 rms 2.6 %NC 47. + 4 e 199 373 etot -8.9813E+01 mv 1 36 197 8 0 rms 2.3 %NC 47. + 4 e 154 386 etot -8.8774E+01 mv 1 36 89 -80 0 rms 2.2 %NC 53. + 4 e 2 413 etot -9.0235E+01 mv 0 36 117 0 0 rms 2.1 %NC 53. + 4 e 2 415 etot -8.9813E+01 mv 0 36 197 0 0 rms 2.3 %NC 47. + 4 e 259 369 etot -8.9529E+01 mv 1 36 12 88 0 rms 2.6 %NC 47. + 4 e 11 414 etot -8.9530E+01 mv 0 36 12 0 0 rms 2.6 %NC 47. + 4 e 65 401 etot -8.7635E+01 mv 0 36 21 0 0 rms 2.1 %NC 60. + 4 e 487 334 etot -8.8119E+01 mv 1 36 111 -74 0 rms 2.9 %NC 60. +## N0 total= 22 close= 12 far= 0 %acc 54.5 +## N1 total= 98 close= 3 far= 0 %acc 3.1 +## N2 total= 100 close= 6 far= 0 %acc 6.0 +## N3 total= 0 close= 0 far= 0 %acc 0.0 +## N4 total= 0 close= 0 far= 0 %acc 0.0 +## N5 total= 0 close= 0 far= 0 %acc 0.0 +## N6 total= 200 close= 15 far= 3 %acc 9.0 +## N7 total= 0 close= 0 far= 0 %acc 0.0 +## N8 total= 0 close= 0 far= 0 %acc 0.0 +## N9 total= 0 close= 0 far= 0 %acc 0.0 +##N10 total= 0 close= 0 far= 0 %acc 0.0 +##N11 total= 0 close= 0 far= 0 %acc 0.0 +##N12 total= 0 close= 0 far= 0 %acc 0.0 +##N13 total= 0 close= 0 far= 0 %acc 0.0 +##N14 total= 0 close= 0 far= 0 %acc 0.0 +##N15 total= 0 close= 0 far= 0 %acc 0.0 +##N16 total= 0 close= 0 far= 0 %acc 0.0 +##N17 total= 0 close= 0 far= 0 %acc 0.0 +##N18 total= 0 close= 0 far= 0 %acc 0.0 + Time for refresh 37 0.28 + make_var : nseed= 20 ntry= 420 + Time for make trial 38 0.11 +Nonsetup time 46.66 sec, Eval/s = 98472.61 +Time for iter 38 1.09 sec, Eval/s = 106890.13 + UPDATING 420 + 4 e 502 353 etot -8.8940E+01 mv 1 36 162 -102 0 rms 2.3 %NC 60. + 4 e 370 374 etot -8.9811E+01 mv 1 36 197 -15 0 rms 2.3 %NC 47. + 4 e 106 403 etot -8.7374E+01 mv 0 36 44 0 0 rms 2.9 %NC 60. + 4 e 357 393 etot -7.6489E+01 mv 1 36 191 196 0 rms 2.6 %NC 53. + 4 e 335 384 etot -8.9780E+01 mv 1 36 97 182 0 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-8.6636E+01 mv 1 37 164 -189 0 rms 2.8 %NC 53. + 4 e 233 365 etot -8.8680E+01 mv 1 37 26 -80 0 rms 2.3 %NC 53. + 4 e 2 409 etot -9.0235E+01 mv 0 37 117 0 0 rms 2.1 %NC 53. + 4 e 171 363 etot -8.8680E+01 mv 1 37 26 132 0 rms 2.3 %NC 53. + 4 e 298 334 etot -8.8444E+01 mv 1 37 171 -191 0 rms 2.7 %NC 60. + 4 e 284 362 etot -8.8557E+01 mv 1 37 26 -170 0 rms 2.3 %NC 47. + 4 e 2 410 etot -8.9530E+01 mv 0 37 12 0 0 rms 2.6 %NC 47. + 4 e 2 412 etot -8.9813E+01 mv 0 37 197 0 0 rms 2.3 %NC 47. + 4 e 190 374 etot -8.8414E+01 mv 1 37 75 117 0 rms 2.1 %NC 67. + 4 e 11 413 etot -8.8680E+01 mv 0 37 26 0 0 rms 2.3 %NC 53. c 26 0.0 0.0 + 4 e 12 414 etot -8.8613E+01 mv 0 37 81 0 0 rms 2.8 %NC 53. c 81 0.0 0.0 + 4 e 309 361 etot -8.9813E+01 mv 1 37 26 46 0 rms 2.3 %NC 47. + 4 e 331 355 etot -8.5324E+01 mv 1 37 83 179 0 rms 2.4 %NC 53. +## N0 total= 21 close= 14 far= 0 %acc 66.7 +## N1 total= 100 close= 1 far= 0 %acc 1.0 +## N2 total= 99 close= 5 far= 0 %acc 5.1 +## N3 total= 0 close= 0 far= 0 %acc 0.0 +## N4 total= 0 close= 0 far= 0 %acc 0.0 +## N5 total= 0 close= 0 far= 0 %acc 0.0 +## N6 total= 200 close= 10 far= 2 %acc 6.0 +## N7 total= 0 close= 0 far= 0 %acc 0.0 +## N8 total= 0 close= 0 far= 0 %acc 0.0 +## N9 total= 0 close= 0 far= 0 %acc 0.0 +##N10 total= 0 close= 0 far= 0 %acc 0.0 +##N11 total= 0 close= 0 far= 0 %acc 0.0 +##N12 total= 0 close= 0 far= 0 %acc 0.0 +##N13 total= 0 close= 0 far= 0 %acc 0.0 +##N14 total= 0 close= 0 far= 0 %acc 0.0 +##N15 total= 0 close= 0 far= 0 %acc 0.0 +##N16 total= 0 close= 0 far= 0 %acc 0.0 +##N17 total= 0 close= 0 far= 0 %acc 0.0 +##N18 total= 0 close= 0 far= 0 %acc 0.0 + Time for refresh 38 0.26 + make_var : nseed= 20 ntry= 420 + Time for make trial 39 0.04 +Nonsetup time 47.70 sec, Eval/s = 98894.82 +Time for iter 39 1.04 sec, Eval/s = 117856.24 + UPDATING 420 + 4 e 161 398 etot -8.8221E+01 mv 1 37 29 123 0 rms 2.4 %NC 53. + 4 e 184 405 etot -8.7776E+01 mv 0 37 36 0 0 rms 2.6 %NC 47. + 4 e 261 367 etot -8.8612E+01 mv 1 37 81 -113 0 rms 2.8 %NC 53. 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230 337 etot -8.8719E+01 mv 1 38 117 69 0 rms 2.3 %NC 53. + 4 e 393 310 etot -8.7642E+01 mv 1 38 38 -193 0 rms 3.1 %NC 40. + 4 e 307 320 etot -8.8780E+01 mv 1 38 93 -15 0 rms 2.7 %NC 47. + 4 e 453 305 etot -8.6148E+01 mv 1 38 28 -150 0 rms 3.1 %NC 40. + 4 e 231 340 etot -9.0234E+01 mv 1 38 117 73 0 rms 2.1 %NC 53. + 4 e 467 301 etot -8.6990E+01 mv 1 38 28 -73 0 rms 3.1 %NC 47. + 4 e 295 330 etot -8.8713E+01 mv 1 38 171 -95 0 rms 2.9 %NC 60. c 171 3.0 0.0 + 4 e 420 271 etot -8.4203E+01 mv 2 38 6 13 0 rms 2.7 %NC 40. + 4 e 243 341 etot -8.9529E+01 mv 1 38 12 -158 0 rms 2.6 %NC 47. + 4 e 525 286 etot -9.0294E+01 mv 2 38 89 -88 0 rms 2.3 %NC 53. + 4 e 491 299 etot -8.2455E+01 mv 2 38 81 -50 0 rms 2.4 %NC 73. + 4 e 308 333 etot -8.7110E+01 mv 1 38 141 -179 0 rms 3.0 %NC 60. + 4 e 317 331 etot -8.7213E+01 mv 1 38 141 34 0 rms 3.0 %NC 67. + 4 e 327 332 etot -8.7110E+01 mv 1 38 141 -179 0 rms 3.0 %NC 60. + 4 e 235 324 etot -8.6961E+01 mv 1 38 144 -126 0 rms 2.6 %NC 60. + -1 e 1 390 etot 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47. + 4 e 226 366 etot -8.9813E+01 mv 1 38 197 55 0 rms 2.3 %NC 47. + 4 e 268 357 etot -8.8305E+01 mv 1 38 67 -163 0 rms 2.6 %NC 47. + 4 e 2 408 etot -9.0235E+01 mv 0 38 117 0 0 rms 2.1 %NC 53. + 4 e 403 339 etot -8.7497E+01 mv 1 38 117 -93 0 rms 2.3 %NC 53. + 4 e 2 409 etot -8.9530E+01 mv 0 38 12 0 0 rms 2.6 %NC 47. + 4 e 160 381 etot -8.8400E+01 mv 1 38 75 124 0 rms 2.1 %NC 67. + 4 e 10 410 etot -8.8680E+01 mv 0 38 26 0 0 rms 2.3 %NC 53. + 4 e 12 412 etot -8.8306E+01 mv 0 38 67 0 0 rms 2.6 %NC 47. + 4 e 337 350 etot -8.8679E+01 mv 1 38 26 38 0 rms 2.3 %NC 53. + 4 e 254 365 etot -8.8221E+01 mv 1 38 29 -58 0 rms 2.4 %NC 53. + 4 e 497 327 etot -7.8419E+01 mv 1 38 171 -74 0 rms 2.5 %NC 53. + 4 e 575 312 etot -8.2052E+01 mv 1 38 72 -46 0 rms 1.8 %NC 53. + 4 e 10 413 etot -8.8222E+01 mv 0 38 29 0 0 rms 2.4 %NC 53. + 4 e 306 343 etot -8.9529E+01 mv 1 38 12 5 0 rms 2.6 %NC 47. +## N0 total= 20 close= 6 far= 0 %acc 30.0 +## N1 total= 99 close= 3 far= 1 %acc 4.0 +## N2 total= 101 close= 6 far= 0 %acc 5.9 +## N3 total= 0 close= 0 far= 0 %acc 0.0 +## N4 total= 0 close= 0 far= 0 %acc 0.0 +## N5 total= 0 close= 0 far= 0 %acc 0.0 +## N6 total= 200 close= 10 far= 0 %acc 5.0 +## N7 total= 0 close= 0 far= 0 %acc 0.0 +## N8 total= 0 close= 0 far= 0 %acc 0.0 +## N9 total= 0 close= 0 far= 0 %acc 0.0 +##N10 total= 0 close= 0 far= 0 %acc 0.0 +##N11 total= 0 close= 0 far= 0 %acc 0.0 +##N12 total= 0 close= 0 far= 0 %acc 0.0 +##N13 total= 0 close= 0 far= 0 %acc 0.0 +##N14 total= 0 close= 0 far= 0 %acc 0.0 +##N15 total= 0 close= 0 far= 0 %acc 0.0 +##N16 total= 0 close= 0 far= 0 %acc 0.0 +##N17 total= 0 close= 0 far= 0 %acc 0.0 +##N18 total= 0 close= 0 far= 0 %acc 0.0 + Time for refresh 39 0.28 + make_var : nseed= 20 ntry= 420 + Time for make trial 40 0.06 +Nonsetup time 48.77 sec, Eval/s = 99123.50 +Time for iter 40 1.07 sec, Eval/s = 109315.74 + UPDATING 420 + 4 e 334 359 etot -8.7548E+01 mv 1 38 67 -185 0 rms 2.6 %NC 47. + 4 e 285 385 etot -8.8204E+01 mv 1 38 75 -55 0 rms 2.1 %NC 67. + 4 e 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etot -8.9812E+01 mv 1 39 197 182 0 rms 2.3 %NC 47. + 4 e 273 355 etot -8.7786E+01 mv 1 39 26 19 0 rms 2.3 %NC 53. + 4 e 315 342 etot -8.2109E+01 mv 1 39 191 -99 0 rms 3.2 %NC 33. + 4 e 497 313 etot -8.8711E+01 mv 1 39 171 -192 0 rms 2.9 %NC 60. + 4 e 2 407 etot -8.9530E+01 mv 0 39 12 0 0 rms 2.6 %NC 47. + 4 e 2 409 etot -8.8927E+01 mv 0 39 191 0 0 rms 2.8 %NC 47. + 4 e 10 408 etot -8.9214E+01 mv 0 39 74 0 0 rms 2.1 %NC 53. c 74 0.0 0.0 + 4 e 332 344 etot -8.8926E+01 mv 1 39 191 133 0 rms 2.8 %NC 47. + 4 e 24 405 etot -8.8891E+01 mv 0 39 1 0 0 rms 2.8 %NC 53. c 1 0.0 0.0 + 4 e 14 410 etot -8.8793E+01 mv 0 39 113 0 0 rms 2.1 %NC 53. c 113 0.0 0.0 + 4 e 572 303 etot -8.7780E+01 mv 1 39 68 -190 0 rms 2.8 %NC 60. + 4 e 11 411 etot -8.8680E+01 mv 0 39 26 0 0 rms 2.3 %NC 53. c 26 0.0 0.0 + 4 e 325 345 etot -8.8927E+01 mv 1 39 191 -136 0 rms 2.8 %NC 47. + 4 e 2 416 etot -8.8222E+01 mv 0 39 29 0 0 rms 2.4 %NC 53. + 4 e 11 412 etot -8.8501E+01 mv 0 39 11 0 0 rms 2.8 %NC 53. c 11 0.0 0.0 + 4 e 240 366 etot -8.9813E+01 mv 1 39 197 153 0 rms 2.3 %NC 47. +## N0 total= 23 close= 15 far= 0 %acc 65.2 +## N1 total= 98 close= 2 far= 0 %acc 2.0 +## N2 total= 99 close= 1 far= 0 %acc 1.0 +## N3 total= 0 close= 0 far= 0 %acc 0.0 +## N4 total= 0 close= 0 far= 0 %acc 0.0 +## N5 total= 0 close= 0 far= 0 %acc 0.0 +## N6 total= 200 close= 17 far= 0 %acc 8.5 +## N7 total= 0 close= 0 far= 0 %acc 0.0 +## N8 total= 0 close= 0 far= 0 %acc 0.0 +## N9 total= 0 close= 0 far= 0 %acc 0.0 +##N10 total= 0 close= 0 far= 0 %acc 0.0 +##N11 total= 0 close= 0 far= 0 %acc 0.0 +##N12 total= 0 close= 0 far= 0 %acc 0.0 +##N13 total= 0 close= 0 far= 0 %acc 0.0 +##N14 total= 0 close= 0 far= 0 %acc 0.0 +##N15 total= 0 close= 0 far= 0 %acc 0.0 +##N16 total= 0 close= 0 far= 0 %acc 0.0 +##N17 total= 0 close= 0 far= 0 %acc 0.0 +##N18 total= 0 close= 0 far= 0 %acc 0.0 + Time for refresh 40 0.29 + make_var : nseed= 20 ntry= 420 + Time for make trial 41 0.05 +Nonsetup time 49.84 sec, Eval/s = 99371.60 +Time for iter 41 1.07 sec, Eval/s = 110677.02 + UPDATING 420 + 4 e 310 378 etot -8.8092E+01 mv 1 39 29 -25 0 rms 2.4 %NC 60. + 4 e 450 365 etot -8.9309E+01 mv 1 39 164 -189 0 rms 2.9 %NC 60. + 4 e 295 392 etot -8.9360E+01 mv 1 39 151 199 0 rms 2.3 %NC 53. + 4 e 270 394 etot -9.0745E+01 mv 1 39 151 15 0 rms 2.3 %NC 47. + 4 e 200 391 etot -8.9360E+01 mv 1 39 151 -74 0 rms 2.3 %NC 53. + 4 e 34 419 etot -8.9360E+01 mv 0 39 151 0 0 rms 2.3 %NC 53. c 151 0.0 0.0 + 4 e 179 393 etot -8.9360E+01 mv 1 39 151 41 0 rms 2.3 %NC 53. + 4 e 21 414 etot -8.9813E+01 mv 0 39 197 0 0 rms 2.3 %NC 47. + 4 e 33 415 etot -8.8306E+01 mv 0 39 67 0 0 rms 2.6 %NC 47. c 67 0.0 0.0 + 4 e 316 373 etot -8.8628E+01 mv 1 39 67 12 0 rms 2.6 %NC 47. + 4 e 63 417 etot -8.8156E+01 mv 0 39 121 0 0 rms 2.8 %NC 67. c 121 0.2 0.0 + 4 e 311 390 etot -8.9426E+01 mv 1 39 97 -118 0 rms 2.8 %NC 60. + -1 e 1 5 etot 1.3528E+20 mv 6 40 28 63 0 rms 2.8 %NC 67. + 4 e 132 398 etot -8.8254E+01 mv 1 39 6 -178 0 rms 2.6 %NC 47. + 4 e 272 370 etot 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total= 0 close= 0 far= 0 %acc 0.0 +##N15 total= 0 close= 0 far= 0 %acc 0.0 +##N16 total= 0 close= 0 far= 0 %acc 0.0 +##N17 total= 0 close= 0 far= 0 %acc 0.0 +##N18 total= 0 close= 0 far= 0 %acc 0.0 + Time for refresh 42 0.26 + make_var : nseed= 20 ntry= 420 + Time for make trial 43 0.05 +Nonsetup time 51.93 sec, Eval/s = 99945.07 +Time for iter 43 1.01 sec, Eval/s = 115990.82 + UPDATING 420 + 4 e 283 385 etot -8.7394E+01 mv 1 41 193 -144 0 rms 2.4 %NC 60. + 4 e 183 391 etot -8.8306E+01 mv 1 41 67 24 0 rms 2.6 %NC 47. + 4 e 375 352 etot -8.8914E+01 mv 1 41 93 70 0 rms 2.8 %NC 53. + 4 e 379 394 etot -8.9291E+01 mv 1 41 67 142 0 rms 2.3 %NC 47. + 4 e 527 390 etot -8.9310E+01 mv 1 41 164 -182 0 rms 2.9 %NC 60. + 4 e 350 400 etot -8.8067E+01 mv 1 41 107 -30 0 rms 3.0 %NC 53. + 4 e 46 414 etot -8.9647E+01 mv 0 41 78 0 0 rms 2.9 %NC 60. + 4 e 291 384 etot -8.8890E+01 mv 1 41 193 -63 0 rms 2.8 %NC 53. + 4 e 496 357 etot -8.5663E+01 mv 1 41 26 -146 0 rms 2.1 %NC 47. + 4 e 591 365 etot 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%acc 0.0 +##N16 total= 0 close= 0 far= 0 %acc 0.0 +##N17 total= 0 close= 0 far= 0 %acc 0.0 +##N18 total= 0 close= 0 far= 0 %acc 0.0 + Time for refresh 43 0.35 + make_var : nseed= 20 ntry= 420 + Time for make trial 44 0.05 +Nonsetup time 53.04 sec, Eval/s = 100115.61 +Time for iter 44 1.11 sec, Eval/s = 108070.62 + UPDATING 420 + 4 e 382 352 etot -8.3524E+01 mv 1 42 26 -55 0 rms 3.0 %NC 33. + 4 e 341 379 etot -8.8895E+01 mv 1 42 193 -156 0 rms 2.7 %NC 60. + 4 e 258 377 etot -8.8768E+01 mv 1 42 193 -32 0 rms 2.7 %NC 53. + 4 e 205 401 etot -8.7823E+01 mv 0 42 136 0 0 rms 2.1 %NC 47. + 4 e 25 410 etot -8.8915E+01 mv 0 42 93 0 0 rms 2.8 %NC 53. + 4 e 616 322 etot -8.8499E+01 mv 1 42 83 -150 0 rms 2.8 %NC 53. + 4 e 288 389 etot -7.6937E+01 mv 1 42 29 -1 0 rms 3.8 %NC 40. + 4 e 244 385 etot -8.7887E+01 mv 1 42 67 -96 0 rms 2.9 %NC 53. + 4 e 387 395 etot -8.8173E+01 mv 1 42 40 -170 0 rms 3.1 %NC 60. + 4 e 279 373 etot -8.8983E+01 mv 1 42 89 -105 0 rms 2.2 %NC 53. + 4 e 449 349 etot -8.8730E+01 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Time for refresh 44 0.91 + make_var : nseed= 20 ntry= 420 + Time for make trial 45 0.11 +Nonsetup time 54.80 sec, Eval/s = 99130.49 +Time for iter 45 1.75 sec, Eval/s = 69337.80 + UPDATING 420 + 4 e 364 369 etot -8.9310E+01 mv 1 43 66 137 0 rms 2.9 %NC 60. + 4 e 360 385 etot -8.8069E+01 mv 1 43 43 -136 0 rms 2.8 %NC 67. + 4 e 194 393 etot -8.9020E+01 mv 1 43 170 -59 0 rms 2.4 %NC 67. + 4 e 413 373 etot -8.2525E+01 mv 1 43 175 -117 0 rms 2.5 %NC 53. + 4 e 251 381 etot -8.8070E+01 mv 1 43 43 -59 0 rms 2.8 %NC 67. + 4 e 571 390 etot -8.8947E+01 mv 1 43 47 52 0 rms 3.0 %NC 67. + 4 e 264 397 etot -8.8915E+01 mv 1 43 93 162 0 rms 2.8 %NC 53. + 4 e 493 384 etot -8.7238E+01 mv 1 43 43 -55 0 rms 2.8 %NC 67. + 4 e 493 367 etot -8.7074E+01 mv 1 43 66 130 0 rms 1.8 %NC 60. + 4 e 69 401 etot -8.7072E+01 mv 0 43 142 0 0 rms 2.6 %NC 53. c 142 0.1 0.0 + 4 e 238 374 etot -8.8096E+01 mv 1 43 175 188 0 rms 2.7 %NC 60. + 4 e 495 389 etot -8.8021E+01 mv 1 43 47 -88 0 rms 3.0 %NC 67. + 4 e 144 394 etot 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45 0.35 + make_var : nseed= 20 ntry= 420 + Time for make trial 46 0.05 +Nonsetup time 55.94 sec, Eval/s = 99292.23 +Time for iter 46 1.14 sec, Eval/s = 107035.96 + UPDATING 420 + 4 e 348 366 etot -9.0849E+01 mv 1 44 149 31 0 rms 2.3 %NC 53. + 4 e 497 387 etot -8.9685E+01 mv 1 44 37 154 0 rms 2.7 %NC 53. + 4 e 247 386 etot -8.7904E+01 mv 1 44 37 68 0 rms 2.9 %NC 40. + 4 e 370 370 etot -8.5438E+01 mv 1 44 149 -101 0 rms 2.3 %NC 47. + 4 e 318 384 etot -8.1403E+01 mv 1 44 71 -141 0 rms 3.0 %NC 33. + 4 e 225 396 etot -8.7938E+01 mv 1 44 65 -30 0 rms 3.2 %NC 40. + 4 e 356 385 etot -8.3075E+01 mv 1 44 71 -20 0 rms 1.8 %NC 53. + 4 e 65 418 etot -8.7905E+01 mv 0 44 37 0 0 rms 2.9 %NC 40. + 4 e 12 411 etot -8.8116E+01 mv 0 44 32 0 0 rms 2.3 %NC 60. c 32 0.0 0.0 + 4 e 617 349 etot -8.1018E+01 mv 1 44 69 -117 0 rms 2.0 %NC 53. + 4 e 233 397 etot -8.7937E+01 mv 1 44 65 16 0 rms 3.2 %NC 40. + 4 e 393 414 etot -9.0848E+01 mv 0 44 149 0 0 rms 2.3 %NC 53. + 4 e 494 333 etot -8.8947E+01 mv 1 44 40 -190 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0 close= 0 far= 0 %acc 0.0 +##N16 total= 0 close= 0 far= 0 %acc 0.0 +##N17 total= 0 close= 0 far= 0 %acc 0.0 +##N18 total= 0 close= 0 far= 0 %acc 0.0 + Time for refresh 46 0.47 + make_var : nseed= 20 ntry= 420 + Time for make trial 47 0.05 +Nonsetup time 57.20 sec, Eval/s = 99225.69 +Time for iter 47 1.26 sec, Eval/s = 96266.34 + UPDATING 420 + 4 e 483 331 etot -8.8947E+01 mv 1 45 47 186 0 rms 3.0 %NC 67. + 4 e 374 349 etot -8.7287E+01 mv 1 45 154 -67 0 rms 2.4 %NC 60. + 4 e 354 384 etot -8.6991E+01 mv 1 45 190 179 0 rms 3.1 %NC 47. + 4 e 108 410 etot -8.7950E+01 mv 0 45 154 0 0 rms 2.4 %NC 53. c 154 0.5 0.0 + 4 e 390 383 etot -8.8261E+01 mv 1 45 190 -24 0 rms 2.4 %NC 60. + 4 e 358 374 etot -8.6508E+01 mv 1 45 31 127 0 rms 3.0 %NC 53. + 4 e 373 386 etot -8.7637E+01 mv 1 45 56 98 0 rms 2.4 %NC 60. + 4 e 54 414 etot -8.7764E+01 mv 0 45 178 0 0 rms 2.2 %NC 53. c 178 0.2 0.0 + 4 e 341 360 etot -8.4518E+01 mv 1 45 36 -148 0 rms 2.5 %NC 53. + 4 e 327 362 etot -8.7771E+01 mv 1 45 105 -80 0 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far= 0 %acc 0.0 +##N11 total= 0 close= 0 far= 0 %acc 0.0 +##N12 total= 0 close= 0 far= 0 %acc 0.0 +##N13 total= 0 close= 0 far= 0 %acc 0.0 +##N14 total= 0 close= 0 far= 0 %acc 0.0 +##N15 total= 0 close= 0 far= 0 %acc 0.0 +##N16 total= 0 close= 0 far= 0 %acc 0.0 +##N17 total= 0 close= 0 far= 0 %acc 0.0 +##N18 total= 0 close= 0 far= 0 %acc 0.0 + Time for refresh 48 0.36 + make_var : nseed= 20 ntry= 420 + Time for make trial 49 0.07 +Nonsetup time 59.50 sec, Eval/s = 99480.41 +Time for iter 49 1.17 sec, Eval/s = 106121.39 + UPDATING 420 + 4 e 687 381 etot -8.5415E+01 mv 1 47 78 -129 0 rms 2.7 %NC 53. + 4 e 375 394 etot -8.7060E+01 mv 1 47 123 -56 0 rms 2.9 %NC 53. + 4 e 51 412 etot -8.7433E+01 mv 0 47 153 0 0 rms 3.1 %NC 53. c 153 0.2 0.0 + 4 e 360 390 etot -8.6062E+01 mv 1 47 119 -152 0 rms 2.4 %NC 47. + 4 e 527 387 etot -8.5288E+01 mv 1 47 119 -152 0 rms 2.4 %NC 60. + 4 e 45 413 etot -8.7419E+01 mv 0 47 111 0 0 rms 2.6 %NC 53. c 111 0.1 0.0 + 4 e 496 395 etot -8.2634E+01 mv 1 47 123 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0 far= 0 %acc 0.0 +##N10 total= 0 close= 0 far= 0 %acc 0.0 +##N11 total= 0 close= 0 far= 0 %acc 0.0 +##N12 total= 0 close= 0 far= 0 %acc 0.0 +##N13 total= 0 close= 0 far= 0 %acc 0.0 +##N14 total= 0 close= 0 far= 0 %acc 0.0 +##N15 total= 0 close= 0 far= 0 %acc 0.0 +##N16 total= 0 close= 0 far= 0 %acc 0.0 +##N17 total= 0 close= 0 far= 0 %acc 0.0 +##N18 total= 0 close= 0 far= 0 %acc 0.0 + Time for refresh 49 0.27 + make_var : nseed= 20 ntry= 420 + Time for make trial 50 0.09 +Nonsetup time 60.63 sec, Eval/s = 99620.58 +Time for iter 50 1.12 sec, Eval/s = 107034.67 + UPDATING 420 + 4 e 15 418 etot -8.7242E+01 mv 0 48 9 0 0 rms 2.8 %NC 60. c 9 0.0 0.0 + 4 e 53 420 etot -8.7463E+01 mv 0 48 104 0 0 rms 1.8 %NC 67. c 104 0.2 0.0 + 4 e 248 366 etot -8.7316E+01 mv 1 48 59 175 0 rms 2.4 %NC 60. + 4 e 401 356 etot -8.5663E+01 mv 1 48 61 -169 0 rms 3.0 %NC 33. + 4 e 114 405 etot -8.7585E+01 mv 0 48 109 0 0 rms 2.6 %NC 60. c 109 1.1 0.0 + 4 e 227 398 etot -8.7462E+01 mv 1 48 104 96 0 rms 1.8 %NC 67. 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N4 total= 0 close= 0 far= 0 %acc 0.0 +## N5 total= 0 close= 0 far= 0 %acc 0.0 +## N6 total= 201 close= 8 far= 3 %acc 5.5 +## N7 total= 0 close= 0 far= 0 %acc 0.0 +## N8 total= 0 close= 0 far= 0 %acc 0.0 +## N9 total= 0 close= 0 far= 0 %acc 0.0 +##N10 total= 0 close= 0 far= 0 %acc 0.0 +##N11 total= 0 close= 0 far= 0 %acc 0.0 +##N12 total= 0 close= 0 far= 0 %acc 0.0 +##N13 total= 0 close= 0 far= 0 %acc 0.0 +##N14 total= 0 close= 0 far= 0 %acc 0.0 +##N15 total= 0 close= 0 far= 0 %acc 0.0 +##N16 total= 0 close= 0 far= 0 %acc 0.0 +##N17 total= 0 close= 0 far= 0 %acc 0.0 +##N18 total= 0 close= 0 far= 0 %acc 0.0 + Time for refresh 50 0.91 + make_var : nseed= 20 ntry= 420 + Time for make trial 51 0.10 +Nonsetup time 62.38 sec, Eval/s = 98785.17 +Time for iter 51 1.75 sec, Eval/s = 69777.47 + UPDATING 420 + 4 e 471 381 etot -8.7340E+01 mv 1 49 16 47 0 rms 2.3 %NC 60. + 4 e 315 366 etot -8.7421E+01 mv 1 49 112 -117 0 rms 1.7 %NC 60. + 4 e 381 358 etot -8.7442E+01 mv 1 49 141 -112 0 rms 2.9 %NC 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0 50 181 0 0 rms 2.9 %NC 60. c 181 0.0 0.0 + 4 e 73 401 etot -8.7123E+01 mv 0 50 177 0 0 rms 2.8 %NC 53. c 177 0.5 0.0 + 4 e 13 417 etot -8.7133E+01 mv 0 50 64 0 0 rms 2.7 %NC 60. c 64 0.0 0.0 +## N0 total= 19 close= 17 far= 0 %acc 89.5 +## N1 total= 101 close= 1 far= 0 %acc 1.0 +## N2 total= 100 close= 8 far= 0 %acc 8.0 +## N3 total= 0 close= 0 far= 0 %acc 0.0 +## N4 total= 0 close= 0 far= 0 %acc 0.0 +## N5 total= 0 close= 0 far= 0 %acc 0.0 +## N6 total= 200 close= 20 far= 3 %acc 11.5 +## N7 total= 0 close= 0 far= 0 %acc 0.0 +## N8 total= 0 close= 0 far= 0 %acc 0.0 +## N9 total= 0 close= 0 far= 0 %acc 0.0 +##N10 total= 0 close= 0 far= 0 %acc 0.0 +##N11 total= 0 close= 0 far= 0 %acc 0.0 +##N12 total= 0 close= 0 far= 0 %acc 0.0 +##N13 total= 0 close= 0 far= 0 %acc 0.0 +##N14 total= 0 close= 0 far= 0 %acc 0.0 +##N15 total= 0 close= 0 far= 0 %acc 0.0 +##N16 total= 0 close= 0 far= 0 %acc 0.0 +##N17 total= 0 close= 0 far= 0 %acc 0.0 +##N18 total= 0 close= 0 far= 0 %acc 0.0 + Time for refresh 51 0.34 + make_var : nseed= 20 ntry= 420 + Time for make trial 52 0.06 +Nonsetup time 63.54 sec, Eval/s = 98963.07 +Time for iter 52 1.16 sec, Eval/s = 108495.89 + UPDATING 420 + 4 e 393 386 etot -8.7502E+01 mv 1 50 34 91 0 rms 2.4 %NC 60. + 4 e 563 395 etot -8.5739E+01 mv 1 50 134 -157 0 rms 2.3 %NC 67. + 4 e 401 379 etot -8.6860E+01 mv 1 50 181 124 0 rms 2.1 %NC 67. + 4 e 289 368 etot -8.3830E+01 mv 1 50 88 -71 0 rms 2.0 %NC 67. + 4 e 197 400 etot -8.7113E+01 mv 1 50 2 186 0 rms 2.1 %NC 67. + 4 e 63 408 etot -8.7566E+01 mv 0 50 196 0 0 rms 2.3 %NC 53. c 196 0.3 0.0 + 4 e 216 388 etot -8.7156E+01 mv 1 50 34 -55 0 rms 2.4 %NC 60. + 4 e 447 393 etot -8.7589E+01 mv 1 50 134 70 0 rms 2.8 %NC 67. + 4 e 564 331 etot -8.7249E+01 mv 1 50 30 -160 0 rms 3.0 %NC 60. + 4 e 357 387 etot -8.7502E+01 mv 1 50 34 158 0 rms 2.4 %NC 60. + -1 e 1 5 etot 1.3528E+20 mv 6 51 152 101 0 rms 2.4 %NC 67. + 4 e 143 404 etot -8.7810E+01 mv 0 50 28 0 0 rms 3.2 %NC 47. + 4 e 338 396 etot -8.7097E+01 mv 1 50 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0 rms 2.4 %NC 53. + 4 e 14 410 etot -8.7132E+01 mv 0 51 73 0 0 rms 2.5 %NC 60. c 73 0.0 0.0 + 4 e 192 376 etot -8.7085E+01 mv 1 51 135 115 0 rms 2.8 %NC 60. + 4 e 43 409 etot -8.7163E+01 mv 0 51 147 0 0 rms 2.2 %NC 67. c 147 0.1 0.0 + 4 e 289 341 etot -8.5604E+01 mv 1 51 147 179 0 rms 2.3 %NC 67. + 4 e 270 369 etot -8.5162E+01 mv 1 51 188 -91 0 rms 2.8 %NC 47. + 4 e 58 407 etot -8.7251E+01 mv 0 51 94 0 0 rms 1.9 %NC 73. + 4 e 17 415 etot -8.7090E+01 mv 0 51 194 0 0 rms 2.4 %NC 53. +## N0 total= 21 close= 11 far= 0 %acc 52.4 +## N1 total= 99 close= 5 far= 0 %acc 5.1 +## N2 total= 100 close= 4 far= 0 %acc 4.0 +## N3 total= 0 close= 0 far= 0 %acc 0.0 +## N4 total= 0 close= 0 far= 0 %acc 0.0 +## N5 total= 0 close= 0 far= 0 %acc 0.0 +## N6 total= 200 close= 15 far= 2 %acc 8.5 +## N7 total= 0 close= 0 far= 0 %acc 0.0 +## N8 total= 0 close= 0 far= 0 %acc 0.0 +## N9 total= 0 close= 0 far= 0 %acc 0.0 +##N10 total= 0 close= 0 far= 0 %acc 0.0 +##N11 total= 0 close= 0 far= 0 %acc 0.0 +##N12 total= 0 close= 0 far= 0 %acc 0.0 +##N13 total= 0 close= 0 far= 0 %acc 0.0 +##N14 total= 0 close= 0 far= 0 %acc 0.0 +##N15 total= 0 close= 0 far= 0 %acc 0.0 +##N16 total= 0 close= 0 far= 0 %acc 0.0 +##N17 total= 0 close= 0 far= 0 %acc 0.0 +##N18 total= 0 close= 0 far= 0 %acc 0.0 + Time for refresh 52 0.30 + make_var : nseed= 20 ntry= 420 + Time for make trial 53 0.07 +Nonsetup time 64.61 sec, Eval/s = 99156.34 +Time for iter 53 1.07 sec, Eval/s = 110671.71 + UPDATING 420 + 4 e 59 416 etot -8.7085E+01 mv 0 51 135 0 0 rms 2.8 %NC 60. c 135 0.2 0.0 + 4 e 158 418 etot -8.7077E+01 mv 0 51 187 0 0 rms 2.8 %NC 60. + 4 e 238 391 etot -8.7064E+01 mv 1 51 156 42 0 rms 3.0 %NC 47. + 4 e 642 375 etot -8.6438E+01 mv 1 51 194 -19 0 rms 2.7 %NC 60. + 4 e 309 382 etot -8.7163E+01 mv 1 51 102 64 0 rms 2.1 %NC 53. + 4 e 336 380 etot -8.7084E+01 mv 1 51 135 174 0 rms 2.8 %NC 60. + 4 e 262 381 etot -8.7080E+01 mv 1 51 102 -52 0 rms 2.7 %NC 53. + 4 e 686 352 etot -7.4919E+01 mv 1 51 108 -174 0 rms 4.3 %NC 33. + 4 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1.9 %NC 67. + 4 e 314 315 etot -8.7417E+01 mv 1 52 180 181 0 rms 2.4 %NC 53. + 4 e 57 401 etot -8.7164E+01 mv 0 52 128 0 0 rms 2.1 %NC 53. c 128 1.2 0.0 + 4 e 214 368 etot -8.6821E+01 mv 1 52 101 24 0 rms 2.8 %NC 53. + 4 e 41 405 etot -8.7174E+01 mv 0 52 38 0 0 rms 3.2 %NC 60. + 4 e 251 365 etot -8.6650E+01 mv 1 52 94 91 0 rms 1.8 %NC 60. + 4 e 189 380 etot -8.7120E+01 mv 1 52 102 -159 0 rms 2.7 %NC 47. + 4 e 29 409 etot -8.7180E+01 mv 0 52 130 0 0 rms 2.6 %NC 47. c 130 0.0 0.0 + 4 e 66 404 etot -8.7136E+01 mv 0 52 2 0 0 rms 2.0 %NC 67. c 2 0.5 0.0 + 4 e 490 325 etot -8.7177E+01 mv 1 52 38 66 0 rms 3.1 %NC 47. + 4 e 222 375 etot -8.6970E+01 mv 1 52 155 180 0 rms 3.1 %NC 60. c 155 1.3 0.0 + 4 e 374 347 etot -8.8672E+01 mv 1 52 25 23 0 rms 2.8 %NC 40. +## N0 total= 18 close= 13 far= 0 %acc 72.2 +## N1 total= 101 close= 3 far= 0 %acc 3.0 +## N2 total= 101 close= 9 far= 0 %acc 8.9 +## N3 total= 0 close= 0 far= 0 %acc 0.0 +## N4 total= 0 close= 0 far= 0 %acc 0.0 +## N5 total= 0 close= 0 far= 0 %acc 0.0 +## N6 total= 200 close= 12 far= 0 %acc 6.0 +## N7 total= 0 close= 0 far= 0 %acc 0.0 +## N8 total= 0 close= 0 far= 0 %acc 0.0 +## N9 total= 0 close= 0 far= 0 %acc 0.0 +##N10 total= 0 close= 0 far= 0 %acc 0.0 +##N11 total= 0 close= 0 far= 0 %acc 0.0 +##N12 total= 0 close= 0 far= 0 %acc 0.0 +##N13 total= 0 close= 0 far= 0 %acc 0.0 +##N14 total= 0 close= 0 far= 0 %acc 0.0 +##N15 total= 0 close= 0 far= 0 %acc 0.0 +##N16 total= 0 close= 0 far= 0 %acc 0.0 +##N17 total= 0 close= 0 far= 0 %acc 0.0 +##N18 total= 0 close= 0 far= 0 %acc 0.0 + Time for refresh 53 0.26 + make_var : nseed= 20 ntry= 420 + Time for make trial 54 0.09 +Nonsetup time 65.64 sec, Eval/s = 99272.03 +Time for iter 54 1.03 sec, Eval/s = 106519.27 + UPDATING 420 + 4 e 14 418 etot -8.9360E+01 mv 0 52 151 0 0 rms 2.3 %NC 53. c 151 0.0 0.0 + 4 e 220 398 etot -8.8714E+01 mv 1 52 186 -140 0 rms 2.9 %NC 60. + 4 e 85 414 etot -8.6970E+01 mv 0 52 101 0 0 rms 2.9 %NC 47. c 101 0.2 0.0 + 4 e 430 330 etot -8.9582E+01 mv 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far= 0 %acc 72.7 +## N1 total= 99 close= 2 far= 0 %acc 2.0 +## N2 total= 99 close= 3 far= 1 %acc 4.0 +## N3 total= 0 close= 0 far= 0 %acc 0.0 +## N4 total= 0 close= 0 far= 0 %acc 0.0 +## N5 total= 0 close= 0 far= 0 %acc 0.0 +## N6 total= 200 close= 5 far= 0 %acc 2.5 +## N7 total= 0 close= 0 far= 0 %acc 0.0 +## N8 total= 0 close= 0 far= 0 %acc 0.0 +## N9 total= 0 close= 0 far= 0 %acc 0.0 +##N10 total= 0 close= 0 far= 0 %acc 0.0 +##N11 total= 0 close= 0 far= 0 %acc 0.0 +##N12 total= 0 close= 0 far= 0 %acc 0.0 +##N13 total= 0 close= 0 far= 0 %acc 0.0 +##N14 total= 0 close= 0 far= 0 %acc 0.0 +##N15 total= 0 close= 0 far= 0 %acc 0.0 +##N16 total= 0 close= 0 far= 0 %acc 0.0 +##N17 total= 0 close= 0 far= 0 %acc 0.0 +##N18 total= 0 close= 0 far= 0 %acc 0.0 + Time for refresh 54 0.32 + make_var : nseed= 20 ntry= 420 + Time for make trial 55 0.10 +Nonsetup time 66.77 sec, Eval/s = 99332.30 +Time for iter 55 1.14 sec, Eval/s = 102812.59 + UPDATING 420 + 4 e 35 412 etot -8.7195E+01 mv 0 53 182 0 0 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145 0 0 rms 2.8 %NC 53. c 145 0.0 0.0 + 4 e 708 215 etot -8.7630E+01 mv 2 54 145 -56 0 rms 1.7 %NC 60. + 4 e 2 406 etot -8.9214E+01 mv 0 54 74 0 0 rms 2.1 %NC 53. + 4 e 10 404 etot -8.8932E+01 mv 0 54 161 0 0 rms 2.4 %NC 60. c 161 0.0 0.0 + 4 e 2 408 etot -8.8854E+01 mv 0 54 120 0 0 rms 2.1 %NC 60. + 4 e 2 409 etot -8.8680E+01 mv 0 54 26 0 0 rms 2.3 %NC 53. + 4 e 10 405 etot -8.9530E+01 mv 0 54 12 0 0 rms 2.6 %NC 47. + 4 e 10 407 etot -8.9813E+01 mv 0 54 197 0 0 rms 2.3 %NC 47. + 4 e 10 410 etot -8.9192E+01 mv 0 54 82 0 0 rms 2.1 %NC 47. c 82 0.0 0.0 + 4 e 2 414 etot -8.8983E+01 mv 0 54 89 0 0 rms 2.2 %NC 53. + 4 e 589 243 etot -8.4399E+01 mv 2 54 26 -84 0 rms 2.8 %NC 27. + 4 e 10 411 etot -8.8613E+01 mv 0 54 81 0 0 rms 2.8 %NC 53. c 81 0.0 0.0 + 4 e 2 415 etot -8.8896E+01 mv 0 54 193 0 0 rms 2.7 %NC 60. + 4 e 2 417 etot -8.8501E+01 mv 0 54 11 0 0 rms 2.8 %NC 53. + 4 e 418 328 etot -8.2432E+01 mv 1 54 74 -16 0 rms 3.8 %NC 40. +## N0 total= 26 close= 12 far= 0 %acc 46.2 +## N1 total= 93 close= 1 far= 0 %acc 1.1 +## N2 total= 101 close= 1 far= 0 %acc 1.0 +## N3 total= 0 close= 0 far= 0 %acc 0.0 +## N4 total= 0 close= 0 far= 0 %acc 0.0 +## N5 total= 0 close= 0 far= 0 %acc 0.0 +## N6 total= 200 close= 6 far= 0 %acc 3.0 +## N7 total= 0 close= 0 far= 0 %acc 0.0 +## N8 total= 0 close= 0 far= 0 %acc 0.0 +## N9 total= 0 close= 0 far= 0 %acc 0.0 +##N10 total= 0 close= 0 far= 0 %acc 0.0 +##N11 total= 0 close= 0 far= 0 %acc 0.0 +##N12 total= 0 close= 0 far= 0 %acc 0.0 +##N13 total= 0 close= 0 far= 0 %acc 0.0 +##N14 total= 0 close= 0 far= 0 %acc 0.0 +##N15 total= 0 close= 0 far= 0 %acc 0.0 +##N16 total= 0 close= 0 far= 0 %acc 0.0 +##N17 total= 0 close= 0 far= 0 %acc 0.0 +##N18 total= 0 close= 0 far= 0 %acc 0.0 + Time for refresh 55 0.30 + sending halt to 1 + node 1 finished 1 6833363 + sending halt to 2 + node 2 finished 2 6833465 + sending halt to 3 + node 3 finished 3 6833778 + sending halt to 4 + node 4 finished 4 6834136 + sending halt to 5 + node 5 finished 5 6834525 + sending halt to 6 + node 6 finished 6 6834818 + sending halt to 7 + node 7 finished 7 6834861 + sending halt to 8 + node 8 finished 8 6835204 + sending halt to 9 + node 9 finished 9 6835534 + sending halt to 10 + node 10 finished 10 6835808 + sending halt to 11 + node 11 finished 11 6835992 + sending halt to 12 + node 12 finished 12 6836598 + sending halt to 13 + node 13 finished 13 6837239 + sending halt to 14 + node 14 finished 14 6837493 + sending halt to 15 + node 15 finished 15 6837997 + sending halt to 16 + node 16 finished 16 6838471 + sending halt to 17 + node 17 finished 17 6838966 + sending halt to 18 + node 18 finished 18 6839293 + sending halt to 19 + node 19 finished 19 6839586 + sending halt to 20 + node 20 finished 20 6840006 + sending halt to 21 + node 21 finished 21 6840326 + sending halt to 22 + node 22 finished 22 6840958 + sending halt to 23 + node 23 finished 23 6841284 + sending halt to 24 + node 24 finished 24 6841563 + sending halt to 25 + node 25 finished 25 6841797 + sending halt to 26 + node 26 finished 26 6842074 + sending halt to 27 + node 27 finished 27 6842431 + sending halt to 28 + node 28 finished 28 6842866 + sending halt to 29 + node 29 finished 29 6842996 + sending halt to 30 + node 30 finished 30 6843214 + sending halt to 31 + node 31 finished 31 6843538 + sending halt to 32 + node 32 finished 32 6843799 + sending halt to 33 + node 33 finished 33 6844063 + sending halt to 34 + node 34 finished 34 6844340 + sending halt to 35 + node 35 finished 35 6844666 + sending halt to 36 + node 36 finished 36 6845126 + sending halt to 37 + node 37 finished 37 6845386 + sending halt to 38 + node 38 finished 38 6845808 + sending halt to 39 + node 39 finished 39 6846192 + sending halt to 40 + node 40 finished 40 6846545 + sending halt to 41 + node 41 finished 41 6847052 + sending halt to 42 + node 42 finished 42 6847569 + sending halt to 43 + node 43 finished 43 6847711 + sending halt to 44 + node 44 finished 44 6847713 + sending halt to 45 + node 45 finished 45 6847919 + sending halt to 46 + node 46 finished 46 6848187 + sending halt to 47 + node 47 finished 47 6848575 + sending halt to 48 + node 48 finished 48 6848795 + sending halt to 49 + node 49 finished 49 6849130 + sending halt to 50 + node 50 finished 50 6849410 + sending halt to 51 + node 51 finished 51 6849666 + sending halt to 52 + node 52 finished 52 6850219 + sending halt to 53 + node 53 finished 53 6851030 + sending halt to 54 + node 54 finished 54 6851645 + sending halt to 55 + node 55 finished 55 6851825 + sending halt to 56 + node 56 finished 56 6852104 + sending halt to 57 + node 57 finished 57 6852116 + sending halt to 58 + node 58 finished 58 6852205 + sending halt to 59 + node 59 finished 59 6852462 + End of cycle, master time for 55 iters 67.1992187500000 sec + Total eval/s 98987.2817531826 + worker 1 OK 0.000000000000000E+000 + worker 2 OK 0.000000000000000E+000 + worker 3 OK 0.000000000000000E+000 + worker 4 OK 0.000000000000000E+000 + worker 5 OK 3.906250000000000E-003 + worker 6 OK 0.000000000000000E+000 + worker 7 OK 0.000000000000000E+000 + worker 8 OK 0.000000000000000E+000 + worker 9 OK 0.000000000000000E+000 + worker 10 OK 3.906250000000000E-003 + worker 11 OK 0.000000000000000E+000 + worker 12 OK 0.000000000000000E+000 + worker 13 OK 0.000000000000000E+000 + worker 14 OK 0.000000000000000E+000 + worker 15 OK 3.906250000000000E-003 + worker 16 OK 0.000000000000000E+000 + worker 17 OK 0.000000000000000E+000 + worker 18 OK 0.000000000000000E+000 + worker 19 OK 0.000000000000000E+000 + worker 20 OK 0.000000000000000E+000 + worker 21 OK 3.906250000000000E-003 + worker 22 OK 0.000000000000000E+000 + worker 23 OK 0.000000000000000E+000 + worker 24 OK 0.000000000000000E+000 + worker 25 OK 0.000000000000000E+000 + worker 26 OK 3.906250000000000E-003 + worker 27 OK 0.000000000000000E+000 + worker 28 OK 0.000000000000000E+000 + worker 29 OK 0.000000000000000E+000 + worker 30 OK 0.000000000000000E+000 + worker 31 OK 3.906250000000000E-003 + worker 32 OK 0.000000000000000E+000 + worker 33 OK 0.000000000000000E+000 + worker 34 OK 0.000000000000000E+000 + worker 35 OK 0.000000000000000E+000 + worker 36 OK 0.000000000000000E+000 + worker 37 OK 3.906250000000000E-003 + worker 38 OK 0.000000000000000E+000 + worker 39 OK 0.000000000000000E+000 + worker 40 OK 0.000000000000000E+000 + worker 41 OK 0.000000000000000E+000 + worker 42 OK 0.000000000000000E+000 + worker 43 OK 7.812500000000000E-003 + worker 44 OK 0.000000000000000E+000 + worker 45 OK 0.000000000000000E+000 + worker 46 OK 0.000000000000000E+000 + worker 47 OK 0.000000000000000E+000 + worker 48 OK 0.000000000000000E+000 + worker 49 OK 3.906250000000000E-003 + worker 50 OK 0.000000000000000E+000 + worker 51 OK 0.000000000000000E+000 + worker 52 OK 0.000000000000000E+000 + worker 53 OK 0.000000000000000E+000 + worker 54 OK 0.000000000000000E+000 + worker 55 OK 3.906250000000000E-003 + worker 56 OK 0.000000000000000E+000 + worker 57 OK 0.000000000000000E+000 + worker 58 OK 0.000000000000000E+000 + worker 59 OK 0.000000000000000E+000 + UPDATING 59 + 4 e 102 402 etot -8.7364E+01 mv 0 54 127 0 0 rms 2.5 %NC 60. c 127 0.7 0.0 + 4 e 313 348 etot -8.7942E+01 mv 1 54 82 -171 0 rms 2.3 %NC 47. + 4 e 358 366 etot -8.8180E+01 mv 1 54 89 -188 0 rms 2.4 %NC 60. + 4 e 389 339 etot -6.9867E+01 mv 1 54 120 10 0 rms 3.5 %NC 33. + 4 e 293 367 etot -8.8314E+01 mv 1 54 89 42 0 rms 2.3 %NC 47. + 4 e 43 419 etot -8.8306E+01 mv 0 54 67 0 0 rms 2.6 %NC 47. c 67 0.1 0.0 + 4 e 343 376 etot -8.6430E+01 mv 1 54 78 -195 0 rms 2.8 %NC 60. + 4 e 330 381 etot -8.7573E+01 mv 1 54 11 -75 0 rms 1.7 %NC 60. c 94 1.9 0.0 + 4 e 274 385 etot -8.5472E+01 mv 1 54 11 -163 0 rms 2.2 %NC 47. + 4 e 184 395 etot -8.8306E+01 mv 1 54 67 105 0 rms 2.6 %NC 47. + 4 e 606 390 etot -8.1067E+01 mv 1 54 164 -146 0 rms 4.0 %NC 40. + 4 e 641 356 etot -8.4078E+01 mv 1 54 92 122 0 rms 2.6 %NC 47. + 4 e 254 393 etot -8.8305E+01 mv 1 54 67 161 0 rms 2.6 %NC 47. + 4 e 504 397 etot -8.7706E+01 mv 1 54 107 -191 0 rms 3.0 %NC 60. + 4 e 474 353 etot -8.8251E+01 mv 1 54 81 185 0 rms 2.8 %NC 60. + 4 e 495 351 etot -8.2322E+01 mv 1 54 81 -74 0 rms 2.5 %NC 53. + 4 e 327 362 etot -8.8183E+01 mv 1 54 93 -184 0 rms 2.7 %NC 53. + 4 e 293 368 etot -8.8982E+01 mv 1 54 89 131 0 rms 2.2 %NC 53. + 4 e 420 354 etot -8.6300E+01 mv 1 54 81 -85 0 rms 2.0 %NC 60. + 4 e 320 392 etot -8.8305E+01 mv 1 54 67 51 0 rms 2.6 %NC 47. + 4 e 632 359 etot -8.1601E+01 mv 1 54 92 -25 0 rms 3.0 %NC 73. + 4 e 326 400 etot -8.6698E+01 mv 1 54 107 -138 0 rms 3.3 %NC 53. + 4 e 279 363 etot -8.8927E+01 mv 1 54 93 78 0 rms 2.8 %NC 47. + 4 e 234 369 etot -8.8774E+01 mv 1 54 89 -177 0 rms 2.2 %NC 53. + 4 e 277 387 etot -8.6578E+01 mv 1 54 164 -56 0 rms 2.3 %NC 60. + 4 e 357 365 etot -8.9780E+01 mv 1 54 93 14 0 rms 2.8 %NC 60. + 4 e 435 332 etot -8.5565E+01 mv 1 54 197 110 0 rms 2.8 %NC 27. + 4 e 130 401 etot -8.7090E+01 mv 0 54 90 0 0 rms 3.1 %NC 40. + 4 e 218 373 etot -8.8896E+01 mv 1 54 193 100 0 rms 2.7 %NC 60. + 4 e 324 398 etot -8.8222E+01 mv 1 54 107 168 0 rms 3.0 %NC 53. + 4 e 261 394 etot -8.8015E+01 mv 1 54 67 44 0 rms 2.6 %NC 47. + 4 e 264 370 etot -8.8982E+01 mv 1 54 89 -75 0 rms 2.2 %NC 53. + 4 e 277 358 etot -8.4177E+01 mv 1 54 92 -74 0 rms 3.4 %NC 40. + 4 e 326 377 etot -8.5228E+01 mv 1 54 78 52 0 rms 3.5 %NC 53. + 4 e 460 360 etot -8.7281E+01 mv 1 54 92 -97 0 rms 2.6 %NC 47. + 4 e 260 379 etot -8.9646E+01 mv 1 54 78 21 0 rms 2.9 %NC 60. + 4 e 422 391 etot -8.2269E+01 mv 1 54 67 187 0 rms 2.5 %NC 47. + 4 e 384 386 etot -8.9310E+01 mv 1 54 164 -133 0 rms 2.9 %NC 60. + 4 e 353 382 etot -8.9087E+01 mv 1 54 11 137 0 rms 3.0 %NC 60. + 4 e 507 388 etot -8.8410E+01 mv 1 54 164 -45 0 rms 2.9 %NC 60. + 4 e 517 418 etot -8.9310E+01 mv 0 54 164 0 0 rms 2.9 %NC 60. + 4 e 142 396 etot -8.8224E+01 mv 1 54 107 -155 0 rms 3.0 %NC 53. + 4 e 2 420 etot -8.8224E+01 mv 0 54 107 0 0 rms 3.0 %NC 53. + 4 e 206 374 etot -8.8896E+01 mv 1 54 193 156 0 rms 2.7 %NC 60. + 4 e 268 383 etot -8.8500E+01 mv 1 54 11 -29 0 rms 2.8 %NC 53. + 4 e 388 364 etot -8.8914E+01 mv 1 54 93 182 0 rms 2.7 %NC 53. + 4 e 220 375 etot -8.8896E+01 mv 1 54 193 -44 0 rms 2.7 %NC 60. + 4 e 335 371 etot -8.8895E+01 mv 1 54 193 113 0 rms 2.7 %NC 60. + 4 e 280 384 etot -8.8500E+01 mv 1 54 11 150 0 rms 2.8 %NC 53. + 4 e 256 378 etot -8.9647E+01 mv 1 54 78 -143 0 rms 2.9 %NC 60. + 4 e 553 380 etot -8.2525E+01 mv 1 54 78 122 0 rms 2.6 %NC 53. + 4 e 811 372 etot -8.4877E+01 mv 1 54 193 88 0 rms 2.4 %NC 53. + 4 e 615 399 etot -8.4049E+01 mv 1 54 107 134 0 rms 2.5 %NC 60. + 4 e 180 330 etot -8.9214E+01 mv 1 54 74 -166 0 rms 2.1 %NC 53. + 4 e 279 322 etot -8.9529E+01 mv 1 54 12 55 0 rms 2.6 %NC 47. + 4 e 12 413 etot -8.8915E+01 mv 0 54 93 0 0 rms 2.8 %NC 53. c 93 0.0 0.0 + 4 e 89 412 etot -8.8388E+01 mv 0 54 92 0 0 rms 2.6 %NC 53. c 92 0.4 0.0 + 4 e 257 357 etot -8.7475E+01 mv 1 54 92 -103 0 rms 2.6 %NC 53. + 4 e 10 416 etot -8.9647E+01 mv 0 54 78 0 0 rms 2.9 %NC 60. c 78 0.0 0.0 +## N0 total= 8 close= 5 far= 0 %acc 62.5 +## N1 total= 51 close= 1 far= 0 %acc 2.0 +## N2 total= 0 close= 0 far= 0 %acc 0.0 +## N3 total= 0 close= 0 far= 0 %acc 0.0 +## N4 total= 0 close= 0 far= 0 %acc 0.0 +## N5 total= 0 close= 0 far= 0 %acc 0.0 +## N6 total= 0 close= 0 far= 0 %acc 0.0 +## N7 total= 0 close= 0 far= 0 %acc 0.0 +## N8 total= 0 close= 0 far= 0 %acc 0.0 +## N9 total= 0 close= 0 far= 0 %acc 0.0 +##N10 total= 0 close= 0 far= 0 %acc 0.0 +##N11 total= 0 close= 0 far= 0 %acc 0.0 +##N12 total= 0 close= 0 far= 0 %acc 0.0 +##N13 total= 0 close= 0 far= 0 %acc 0.0 +##N14 total= 0 close= 0 far= 0 %acc 0.0 +##N15 total= 0 close= 0 far= 0 %acc 0.0 +##N16 total= 0 close= 0 far= 0 %acc 0.0 +##N17 total= 0 close= 0 far= 0 %acc 0.0 +##N18 total= 0 close= 0 far= 0 %acc 0.0 + ### Total stats: +### N0 total= 1100 close= 704 far= 0 %acc 64.0 +### N1 total= 5500 close= 291 far= 88 %acc 6.9 +### N2 total= 5500 close= 502 far= 84 %acc 10.7 +### N3 total= 0 close= 0 far= 0 %acc 0.0 +### N4 total= 0 close= 0 far= 0 %acc 0.0 +### N5 total= 0 close= 0 far= 0 %acc 0.0 +### N6 total= 11000 close=1228 far= 346 %acc 14.3 +### N7 total= 0 close= 0 far= 0 %acc 0.0 +### N8 total= 0 close= 0 far= 0 %acc 0.0 +### N9 total= 0 close= 0 far= 0 %acc 0.0 +###N10 total= 0 close= 0 far= 0 %acc 0.0 +###N11 total= 0 close= 0 far= 0 %acc 0.0 +###N12 total= 0 close= 0 far= 0 %acc 0.0 +###N13 total= 0 close= 0 far= 0 %acc 0.0 +###N14 total= 0 close= 0 far= 0 %acc 0.0 +###N15 total= 0 close= 0 far= 0 %acc 0.0 +###N16 total= 0 close= 0 far= 0 %acc 0.0 +###N17 total= 0 close= 0 far= 0 %acc 0.0 +###N18 total= 0 close= 0 far= 0 %acc 0.0 + End of RUN, master time 67.5195312500000 sec + Total eval/s 98517.6863176164 +CG processor 0 is finishing work. + Total wall clock time 74.3593750000000 sec diff --git a/examples/unres/CSA/GAB/CSA/local/1l2y_csa.out_GB001 b/examples/unres/CSA/GAB/CSA/local/1l2y_csa.out_GB001 new file mode 100644 index 0000000..59903c2 --- /dev/null +++ b/examples/unres/CSA/GAB/CSA/local/1l2y_csa.out_GB001 @@ -0,0 +1,555 @@ +******************************************************************************** +United-residue force field calculation - parallel job. +******************************************************************************** + MPI: node= 1 iseed= -6119485 + ran_num 0.547506363186177 +RMSDBC = 3.0 +RMSDBC1 = 0.5 +RMSDBC1MAX = 1.5 +DRMS = 0.1 +RMSDBCM = 3.0 +Time limit (min): 960.0 + RESCALE_MODE 0 +Library routine used to diagonalize matrices. + +******************************************************************************** + Options in energy minimization: +******************************************************************************** +MaxMin: 3000 MaxFun: 1000MinMin: 3000 MinFun: 3000 TolF: 1.00000E-02 RTolF: 1.00000E-04 + NCONF_IN 0 + +Energy-term weights (unscaled): + +WSCC= 1.352790 (SC-SC) +WSCP= 1.593040 (SC-p) +WELEC= 0.715340 (p-p electr) +WVDWPP= 0.113710 (p-p VDW) +WBOND= 1.000000 (stretching) +WANG= 1.138730 (bending) +WSCLOC= 0.162580 (SC local) +WTOR= 1.985990 (torsional) +WTORD= 1.570690 (double torsional) +WSTRAIN= 1.000000 (SS bridges & dist. cnstr.) +WEL_LOC= 0.160360 (multi-body 3-rd order) +WCORR4= 0.428870 (multi-body 4th order) +WCORR5= 0.000000 (multi-body 5th order) +WCORR6= 0.000000 (multi-body 6th order) +WSCCOR= 0.000000 (back-scloc correlation) +WTURN3= 1.687220 (turns, 3rd order) +WTURN4= 0.662300 (turns, 4th order) +WTURN6= 0.000000 (turns, 6th order) +WDFA_D= 0.000000 (DFA, distance) +WDFA_T= 0.000000 (DFA, torsional) +WDFA_N= 0.000000 (DFA, number of neighbor) +WDFA_B= 0.000000 (DFA, beta formation) + +Hydrogen-bonding correlation between contact pairs of peptide groups + +Scaling factor of 1,4 SC-p interactions: 0.400 +General scaling factor of SC-p interactions: 1.000 + +Energy-term weights (scaled): + +WSCC= 1.352790 (SC-SC) +WSCP= 1.593040 (SC-p) +WELEC= 0.715340 (p-p electr) +WVDWPP= 0.113710 (p-p VDW) +WBOND= 1.000000 (stretching) +WANG= 1.138730 (bending) +WSCLOC= 0.162580 (SC local) +WTOR= 1.985990 (torsional) +WTORD= 1.570690 (double torsional) +WSTRAIN= 1.000000 (SS bridges & dist. cnstr.) +WEL_LOC= 0.160360 (multi-body 3-rd order) +WCORR4= 0.428870 (multi-body 4th order) +WCORR5= 0.000000 (multi-body 5th order) +WCORR6= 0.000000 (multi-body 6th order) +WSCCOR= 0.000000 (back-scloc correlatkion) +WTURN3= 1.687220 (turns, 3rd order) +WTURN4= 0.662300 (turns, 4th order) +WTURN6= 0.000000 (turns, 6th order) +WDFA_D= 0.000000 (DFA, distance) +WDFA_T= 0.000000 (DFA, torsional) +WDFA_N= 0.000000 (DFA, number of neighbor) +WDFA_B= 0.000000 (DFA, beta formation) + Reference temperature for weights calculation: 300.000000000000 + Parameters of the SS-bond potential: + D0CM 3.78000000000000 AKCM 15.1000000000000 AKTH + 11.0000000000000 AKCT 12.0000000000000 + V1SS -1.08000000000000 V2SS 7.61000000000000 V3SS + 13.7000000000000 + EBR -5.50000000000000 + ITEL + 1 21 0 + 2 14 1 + 3 5 1 + 4 8 1 + 5 4 1 + 6 13 1 + 7 7 1 + 8 5 1 + 9 19 1 + 10 16 1 + 11 10 1 + 12 10 2 + 13 20 1 + 14 12 1 + 15 12 1 + 16 10 1 + 17 18 2 + 18 20 2 + 19 20 2 + 20 20 1 + 21 12 0 + ns= 0 iss: + NZ_START= 2 NZ_END= 21 + IZ_SC= 0 + +Geometry of the virtual chain. + Res d Theta Gamma Dsc Alpha Beta +D 1 0.000 0.000 0.000 0.000 0.000 0.000 +ASN 2 3.800 0.000 0.000 1.684 0.000 0.000 +LEU 3 3.800 0.000 0.000 1.939 0.000 0.000 +TYR 4 3.800 0.000 0.000 2.484 0.000 0.000 +ILE 5 3.800 0.000 0.000 1.776 0.000 0.000 +GLN 6 3.800 0.000 0.000 2.240 0.000 0.000 +TRP 7 3.800 0.000 0.000 2.605 0.000 0.000 +LEU 8 3.800 0.000 0.000 1.939 0.000 0.000 +LYS 9 3.800 0.000 0.000 2.541 0.000 0.000 +ASP 10 3.800 0.000 0.000 1.709 0.000 0.000 +GLY 11 3.800 0.000 0.000 0.000 0.000 0.000 +GLY 12 3.800 0.000 0.000 0.000 0.000 0.000 +PRO 13 3.800 0.000 0.000 1.345 0.000 0.000 +SER 14 3.800 0.000 0.000 1.150 0.000 0.000 +SER 15 3.800 0.000 0.000 1.150 0.000 0.000 +GLY 16 3.800 0.000 0.000 0.000 0.000 0.000 +ARG 17 3.800 0.000 0.000 3.020 0.000 0.000 +PRO 18 3.800 0.000 0.000 1.345 0.000 0.000 +PRO 19 3.800 0.000 0.000 1.345 0.000 0.000 +PRO 20 3.800 0.000 0.000 1.345 0.000 0.000 +SER 21 3.800 0.000 0.000 1.150 0.000 0.000 +D 22 3.800 0.000 0.000 0.000 0.000 0.000 + + +******************************************************************************** + Processor 1: end reading molecular data. +******************************************************************************** + + +CSA calculations calculation. + +Conformations will be energy-minimized. +******************************************************************************** + +Waiting for 0.4609 sec +Waiting for 0.8203 sec +Waiting for 0.0273 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec + Finishing minim_jlee - signal 0 from master +Waiting for 0.6797 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0156 sec +Waiting for 0.4961 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.5000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3242 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.4688 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3242 sec +Waiting for 0.0234 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 1.0547 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0703 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3555 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3516 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.7344 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 1.3438 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0977 sec +Waiting for 0.3281 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3242 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.5039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0742 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3164 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2930 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2148 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3281 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3594 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.5625 sec +Waiting for 0.0117 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3672 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2891 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3438 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.4727 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 1.1523 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2930 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3633 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2969 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3203 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2383 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.4961 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3789 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3867 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3477 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2422 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3594 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3359 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2773 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3320 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3086 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3203 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2734 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3633 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.9805 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3594 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.4961 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2773 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3164 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3555 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.9258 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3125 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3555 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3438 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.4102 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3945 sec + Finishing minim_jlee - signal 0 from master + End of minim, proc 1 time 67.8125000000000 +CG processor 1 is finishing work. + Total wall clock time 74.3632812500000 sec diff --git a/examples/unres/CSA/GAB/CSA/local/1l2y_csa.out_GB002 b/examples/unres/CSA/GAB/CSA/local/1l2y_csa.out_GB002 new file mode 100644 index 0000000..429e574 --- /dev/null +++ b/examples/unres/CSA/GAB/CSA/local/1l2y_csa.out_GB002 @@ -0,0 +1,569 @@ +******************************************************************************** +United-residue force field calculation - parallel job. +******************************************************************************** + MPI: node= 2 iseed= -9179228 + ran_num 0.821258609038956 +RMSDBC = 3.0 +RMSDBC1 = 0.5 +RMSDBC1MAX = 1.5 +DRMS = 0.1 +RMSDBCM = 3.0 +Time limit (min): 960.0 + RESCALE_MODE 0 +Library routine used to diagonalize matrices. + +******************************************************************************** + Options in energy minimization: +******************************************************************************** +MaxMin: 3000 MaxFun: 1000MinMin: 3000 MinFun: 3000 TolF: 1.00000E-02 RTolF: 1.00000E-04 + NCONF_IN 0 + +Energy-term weights (unscaled): + +WSCC= 1.352790 (SC-SC) +WSCP= 1.593040 (SC-p) +WELEC= 0.715340 (p-p electr) +WVDWPP= 0.113710 (p-p VDW) +WBOND= 1.000000 (stretching) +WANG= 1.138730 (bending) +WSCLOC= 0.162580 (SC local) +WTOR= 1.985990 (torsional) +WTORD= 1.570690 (double torsional) +WSTRAIN= 1.000000 (SS bridges & dist. cnstr.) +WEL_LOC= 0.160360 (multi-body 3-rd order) +WCORR4= 0.428870 (multi-body 4th order) +WCORR5= 0.000000 (multi-body 5th order) +WCORR6= 0.000000 (multi-body 6th order) +WSCCOR= 0.000000 (back-scloc correlation) +WTURN3= 1.687220 (turns, 3rd order) +WTURN4= 0.662300 (turns, 4th order) +WTURN6= 0.000000 (turns, 6th order) +WDFA_D= 0.000000 (DFA, distance) +WDFA_T= 0.000000 (DFA, torsional) +WDFA_N= 0.000000 (DFA, number of neighbor) +WDFA_B= 0.000000 (DFA, beta formation) + +Hydrogen-bonding correlation between contact pairs of peptide groups + +Scaling factor of 1,4 SC-p interactions: 0.400 +General scaling factor of SC-p interactions: 1.000 + +Energy-term weights (scaled): + +WSCC= 1.352790 (SC-SC) +WSCP= 1.593040 (SC-p) +WELEC= 0.715340 (p-p electr) +WVDWPP= 0.113710 (p-p VDW) +WBOND= 1.000000 (stretching) +WANG= 1.138730 (bending) +WSCLOC= 0.162580 (SC local) +WTOR= 1.985990 (torsional) +WTORD= 1.570690 (double torsional) +WSTRAIN= 1.000000 (SS bridges & dist. cnstr.) +WEL_LOC= 0.160360 (multi-body 3-rd order) +WCORR4= 0.428870 (multi-body 4th order) +WCORR5= 0.000000 (multi-body 5th order) +WCORR6= 0.000000 (multi-body 6th order) +WSCCOR= 0.000000 (back-scloc correlatkion) +WTURN3= 1.687220 (turns, 3rd order) +WTURN4= 0.662300 (turns, 4th order) +WTURN6= 0.000000 (turns, 6th order) +WDFA_D= 0.000000 (DFA, distance) +WDFA_T= 0.000000 (DFA, torsional) +WDFA_N= 0.000000 (DFA, number of neighbor) +WDFA_B= 0.000000 (DFA, beta formation) + Reference temperature for weights calculation: 300.000000000000 + Parameters of the SS-bond potential: + D0CM 3.78000000000000 AKCM 15.1000000000000 AKTH + 11.0000000000000 AKCT 12.0000000000000 + V1SS -1.08000000000000 V2SS 7.61000000000000 V3SS + 13.7000000000000 + EBR -5.50000000000000 + ITEL + 1 21 0 + 2 14 1 + 3 5 1 + 4 8 1 + 5 4 1 + 6 13 1 + 7 7 1 + 8 5 1 + 9 19 1 + 10 16 1 + 11 10 1 + 12 10 2 + 13 20 1 + 14 12 1 + 15 12 1 + 16 10 1 + 17 18 2 + 18 20 2 + 19 20 2 + 20 20 1 + 21 12 0 + ns= 0 iss: + NZ_START= 2 NZ_END= 21 + IZ_SC= 0 + +Geometry of the virtual chain. + Res d Theta Gamma Dsc Alpha Beta +D 1 0.000 0.000 0.000 0.000 0.000 0.000 +ASN 2 3.800 0.000 0.000 1.684 0.000 0.000 +LEU 3 3.800 0.000 0.000 1.939 0.000 0.000 +TYR 4 3.800 0.000 0.000 2.484 0.000 0.000 +ILE 5 3.800 0.000 0.000 1.776 0.000 0.000 +GLN 6 3.800 0.000 0.000 2.240 0.000 0.000 +TRP 7 3.800 0.000 0.000 2.605 0.000 0.000 +LEU 8 3.800 0.000 0.000 1.939 0.000 0.000 +LYS 9 3.800 0.000 0.000 2.541 0.000 0.000 +ASP 10 3.800 0.000 0.000 1.709 0.000 0.000 +GLY 11 3.800 0.000 0.000 0.000 0.000 0.000 +GLY 12 3.800 0.000 0.000 0.000 0.000 0.000 +PRO 13 3.800 0.000 0.000 1.345 0.000 0.000 +SER 14 3.800 0.000 0.000 1.150 0.000 0.000 +SER 15 3.800 0.000 0.000 1.150 0.000 0.000 +GLY 16 3.800 0.000 0.000 0.000 0.000 0.000 +ARG 17 3.800 0.000 0.000 3.020 0.000 0.000 +PRO 18 3.800 0.000 0.000 1.345 0.000 0.000 +PRO 19 3.800 0.000 0.000 1.345 0.000 0.000 +PRO 20 3.800 0.000 0.000 1.345 0.000 0.000 +SER 21 3.800 0.000 0.000 1.150 0.000 0.000 +D 22 3.800 0.000 0.000 0.000 0.000 0.000 + + +******************************************************************************** + Processor 2: end reading molecular data. +******************************************************************************** + + +CSA calculations calculation. + +Conformations will be energy-minimized. +******************************************************************************** + +Waiting for 0.4609 sec +Waiting for 0.7891 sec +Waiting for 0.0625 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0273 sec +Waiting for 0.0000 sec + Finishing minim_jlee - signal 0 from master +Waiting for 0.6797 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0312 sec +Waiting for 0.0508 sec +Waiting for 0.0352 sec +Waiting for 0.5000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.5000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3242 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.5039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3125 sec +Waiting for 0.0352 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 1.0859 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3125 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3125 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.7344 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 1.4180 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3633 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3164 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.4883 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3008 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3086 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2578 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3125 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3008 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3359 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.5586 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3594 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3359 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3633 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.4492 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 1.1523 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3398 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3750 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3008 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3672 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2578 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.5078 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3945 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3555 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2930 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3203 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3281 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.3359 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2656 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3047 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2773 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3555 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2930 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3359 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.9648 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2812 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.5234 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3008 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3906 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3438 sec +Waiting for 0.0195 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.9961 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2500 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3242 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3164 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.4102 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.4180 sec + Finishing minim_jlee - signal 0 from master + End of minim, proc 2 time 67.8125000000000 +CG processor 2 is finishing work. + Total wall clock time 74.3632812500000 sec diff --git a/examples/unres/CSA/GAB/CSA/local/1l2y_csa.out_GB003 b/examples/unres/CSA/GAB/CSA/local/1l2y_csa.out_GB003 new file mode 100644 index 0000000..3ab08b9 --- /dev/null +++ b/examples/unres/CSA/GAB/CSA/local/1l2y_csa.out_GB003 @@ -0,0 +1,568 @@ +******************************************************************************** +United-residue force field calculation - parallel job. +******************************************************************************** + MPI: node= 3 iseed= -12238971 + ran_num 9.501085489173544E-002 +RMSDBC = 3.0 +RMSDBC1 = 0.5 +RMSDBC1MAX = 1.5 +DRMS = 0.1 +RMSDBCM = 3.0 +Time limit (min): 960.0 + RESCALE_MODE 0 +Library routine used to diagonalize matrices. + +******************************************************************************** + Options in energy minimization: +******************************************************************************** +MaxMin: 3000 MaxFun: 1000MinMin: 3000 MinFun: 3000 TolF: 1.00000E-02 RTolF: 1.00000E-04 + NCONF_IN 0 + +Energy-term weights (unscaled): + +WSCC= 1.352790 (SC-SC) +WSCP= 1.593040 (SC-p) +WELEC= 0.715340 (p-p electr) +WVDWPP= 0.113710 (p-p VDW) +WBOND= 1.000000 (stretching) +WANG= 1.138730 (bending) +WSCLOC= 0.162580 (SC local) +WTOR= 1.985990 (torsional) +WTORD= 1.570690 (double torsional) +WSTRAIN= 1.000000 (SS bridges & dist. cnstr.) +WEL_LOC= 0.160360 (multi-body 3-rd order) +WCORR4= 0.428870 (multi-body 4th order) +WCORR5= 0.000000 (multi-body 5th order) +WCORR6= 0.000000 (multi-body 6th order) +WSCCOR= 0.000000 (back-scloc correlation) +WTURN3= 1.687220 (turns, 3rd order) +WTURN4= 0.662300 (turns, 4th order) +WTURN6= 0.000000 (turns, 6th order) +WDFA_D= 0.000000 (DFA, distance) +WDFA_T= 0.000000 (DFA, torsional) +WDFA_N= 0.000000 (DFA, number of neighbor) +WDFA_B= 0.000000 (DFA, beta formation) + +Hydrogen-bonding correlation between contact pairs of peptide groups + +Scaling factor of 1,4 SC-p interactions: 0.400 +General scaling factor of SC-p interactions: 1.000 + +Energy-term weights (scaled): + +WSCC= 1.352790 (SC-SC) +WSCP= 1.593040 (SC-p) +WELEC= 0.715340 (p-p electr) +WVDWPP= 0.113710 (p-p VDW) +WBOND= 1.000000 (stretching) +WANG= 1.138730 (bending) +WSCLOC= 0.162580 (SC local) +WTOR= 1.985990 (torsional) +WTORD= 1.570690 (double torsional) +WSTRAIN= 1.000000 (SS bridges & dist. cnstr.) +WEL_LOC= 0.160360 (multi-body 3-rd order) +WCORR4= 0.428870 (multi-body 4th order) +WCORR5= 0.000000 (multi-body 5th order) +WCORR6= 0.000000 (multi-body 6th order) +WSCCOR= 0.000000 (back-scloc correlatkion) +WTURN3= 1.687220 (turns, 3rd order) +WTURN4= 0.662300 (turns, 4th order) +WTURN6= 0.000000 (turns, 6th order) +WDFA_D= 0.000000 (DFA, distance) +WDFA_T= 0.000000 (DFA, torsional) +WDFA_N= 0.000000 (DFA, number of neighbor) +WDFA_B= 0.000000 (DFA, beta formation) + Reference temperature for weights calculation: 300.000000000000 + Parameters of the SS-bond potential: + D0CM 3.78000000000000 AKCM 15.1000000000000 AKTH + 11.0000000000000 AKCT 12.0000000000000 + V1SS -1.08000000000000 V2SS 7.61000000000000 V3SS + 13.7000000000000 + EBR -5.50000000000000 + ITEL + 1 21 0 + 2 14 1 + 3 5 1 + 4 8 1 + 5 4 1 + 6 13 1 + 7 7 1 + 8 5 1 + 9 19 1 + 10 16 1 + 11 10 1 + 12 10 2 + 13 20 1 + 14 12 1 + 15 12 1 + 16 10 1 + 17 18 2 + 18 20 2 + 19 20 2 + 20 20 1 + 21 12 0 + ns= 0 iss: + NZ_START= 2 NZ_END= 21 + IZ_SC= 0 + +Geometry of the virtual chain. + Res d Theta Gamma Dsc Alpha Beta +D 1 0.000 0.000 0.000 0.000 0.000 0.000 +ASN 2 3.800 0.000 0.000 1.684 0.000 0.000 +LEU 3 3.800 0.000 0.000 1.939 0.000 0.000 +TYR 4 3.800 0.000 0.000 2.484 0.000 0.000 +ILE 5 3.800 0.000 0.000 1.776 0.000 0.000 +GLN 6 3.800 0.000 0.000 2.240 0.000 0.000 +TRP 7 3.800 0.000 0.000 2.605 0.000 0.000 +LEU 8 3.800 0.000 0.000 1.939 0.000 0.000 +LYS 9 3.800 0.000 0.000 2.541 0.000 0.000 +ASP 10 3.800 0.000 0.000 1.709 0.000 0.000 +GLY 11 3.800 0.000 0.000 0.000 0.000 0.000 +GLY 12 3.800 0.000 0.000 0.000 0.000 0.000 +PRO 13 3.800 0.000 0.000 1.345 0.000 0.000 +SER 14 3.800 0.000 0.000 1.150 0.000 0.000 +SER 15 3.800 0.000 0.000 1.150 0.000 0.000 +GLY 16 3.800 0.000 0.000 0.000 0.000 0.000 +ARG 17 3.800 0.000 0.000 3.020 0.000 0.000 +PRO 18 3.800 0.000 0.000 1.345 0.000 0.000 +PRO 19 3.800 0.000 0.000 1.345 0.000 0.000 +PRO 20 3.800 0.000 0.000 1.345 0.000 0.000 +SER 21 3.800 0.000 0.000 1.150 0.000 0.000 +D 22 3.800 0.000 0.000 0.000 0.000 0.000 + + +******************************************************************************** + Processor 3: end reading molecular data. +******************************************************************************** + + +CSA calculations calculation. + +Conformations will be energy-minimized. +******************************************************************************** + +Waiting for 0.4609 sec +Waiting for 0.8359 sec +Waiting for 0.0938 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0430 sec +Waiting for 0.0000 sec + Finishing minim_jlee - signal 0 from master +Waiting for 0.6797 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0391 sec +Waiting for 0.0312 sec +Waiting for 0.4844 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.5039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3555 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.4844 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2031 sec +Waiting for 0.0000 sec +Waiting for 0.0156 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 1.0781 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0352 sec +Waiting for 0.0000 sec +Waiting for 0.3438 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3516 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.7617 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 1.3906 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0117 sec +Waiting for 0.3633 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3164 sec +Waiting for 0.0078 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.4844 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3242 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2188 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2969 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3242 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3359 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3594 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.5820 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.3359 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3281 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3359 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.4688 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 1.1328 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3164 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3906 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3086 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3672 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2148 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.4258 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3945 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3828 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2305 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.3672 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3438 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3789 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2969 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3438 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2891 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3438 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3008 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3828 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.9883 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3750 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.4688 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2852 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0586 sec +Waiting for 0.4102 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3750 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.9883 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3320 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3555 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3398 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3984 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3750 sec + Finishing minim_jlee - signal 0 from master + End of minim, proc 3 time 67.8125000000000 +CG processor 3 is finishing work. + Total wall clock time 74.3632812500000 sec diff --git a/examples/unres/CSA/GAB/CSA/local/1l2y_csa.out_GB004 b/examples/unres/CSA/GAB/CSA/local/1l2y_csa.out_GB004 new file mode 100644 index 0000000..6269755 --- /dev/null +++ b/examples/unres/CSA/GAB/CSA/local/1l2y_csa.out_GB004 @@ -0,0 +1,567 @@ +******************************************************************************** +United-residue force field calculation - parallel job. +******************************************************************************** + MPI: node= 4 iseed= -15298714 + ran_num 0.368763100744515 +RMSDBC = 3.0 +RMSDBC1 = 0.5 +RMSDBC1MAX = 1.5 +DRMS = 0.1 +RMSDBCM = 3.0 +Time limit (min): 960.0 + RESCALE_MODE 0 +Library routine used to diagonalize matrices. + +******************************************************************************** + Options in energy minimization: +******************************************************************************** +MaxMin: 3000 MaxFun: 1000MinMin: 3000 MinFun: 3000 TolF: 1.00000E-02 RTolF: 1.00000E-04 + NCONF_IN 0 + +Energy-term weights (unscaled): + +WSCC= 1.352790 (SC-SC) +WSCP= 1.593040 (SC-p) +WELEC= 0.715340 (p-p electr) +WVDWPP= 0.113710 (p-p VDW) +WBOND= 1.000000 (stretching) +WANG= 1.138730 (bending) +WSCLOC= 0.162580 (SC local) +WTOR= 1.985990 (torsional) +WTORD= 1.570690 (double torsional) +WSTRAIN= 1.000000 (SS bridges & dist. cnstr.) +WEL_LOC= 0.160360 (multi-body 3-rd order) +WCORR4= 0.428870 (multi-body 4th order) +WCORR5= 0.000000 (multi-body 5th order) +WCORR6= 0.000000 (multi-body 6th order) +WSCCOR= 0.000000 (back-scloc correlation) +WTURN3= 1.687220 (turns, 3rd order) +WTURN4= 0.662300 (turns, 4th order) +WTURN6= 0.000000 (turns, 6th order) +WDFA_D= 0.000000 (DFA, distance) +WDFA_T= 0.000000 (DFA, torsional) +WDFA_N= 0.000000 (DFA, number of neighbor) +WDFA_B= 0.000000 (DFA, beta formation) + +Hydrogen-bonding correlation between contact pairs of peptide groups + +Scaling factor of 1,4 SC-p interactions: 0.400 +General scaling factor of SC-p interactions: 1.000 + +Energy-term weights (scaled): + +WSCC= 1.352790 (SC-SC) +WSCP= 1.593040 (SC-p) +WELEC= 0.715340 (p-p electr) +WVDWPP= 0.113710 (p-p VDW) +WBOND= 1.000000 (stretching) +WANG= 1.138730 (bending) +WSCLOC= 0.162580 (SC local) +WTOR= 1.985990 (torsional) +WTORD= 1.570690 (double torsional) +WSTRAIN= 1.000000 (SS bridges & dist. cnstr.) +WEL_LOC= 0.160360 (multi-body 3-rd order) +WCORR4= 0.428870 (multi-body 4th order) +WCORR5= 0.000000 (multi-body 5th order) +WCORR6= 0.000000 (multi-body 6th order) +WSCCOR= 0.000000 (back-scloc correlatkion) +WTURN3= 1.687220 (turns, 3rd order) +WTURN4= 0.662300 (turns, 4th order) +WTURN6= 0.000000 (turns, 6th order) +WDFA_D= 0.000000 (DFA, distance) +WDFA_T= 0.000000 (DFA, torsional) +WDFA_N= 0.000000 (DFA, number of neighbor) +WDFA_B= 0.000000 (DFA, beta formation) + Reference temperature for weights calculation: 300.000000000000 + Parameters of the SS-bond potential: + D0CM 3.78000000000000 AKCM 15.1000000000000 AKTH + 11.0000000000000 AKCT 12.0000000000000 + V1SS -1.08000000000000 V2SS 7.61000000000000 V3SS + 13.7000000000000 + EBR -5.50000000000000 + ITEL + 1 21 0 + 2 14 1 + 3 5 1 + 4 8 1 + 5 4 1 + 6 13 1 + 7 7 1 + 8 5 1 + 9 19 1 + 10 16 1 + 11 10 1 + 12 10 2 + 13 20 1 + 14 12 1 + 15 12 1 + 16 10 1 + 17 18 2 + 18 20 2 + 19 20 2 + 20 20 1 + 21 12 0 + ns= 0 iss: + NZ_START= 2 NZ_END= 21 + IZ_SC= 0 + +Geometry of the virtual chain. + Res d Theta Gamma Dsc Alpha Beta +D 1 0.000 0.000 0.000 0.000 0.000 0.000 +ASN 2 3.800 0.000 0.000 1.684 0.000 0.000 +LEU 3 3.800 0.000 0.000 1.939 0.000 0.000 +TYR 4 3.800 0.000 0.000 2.484 0.000 0.000 +ILE 5 3.800 0.000 0.000 1.776 0.000 0.000 +GLN 6 3.800 0.000 0.000 2.240 0.000 0.000 +TRP 7 3.800 0.000 0.000 2.605 0.000 0.000 +LEU 8 3.800 0.000 0.000 1.939 0.000 0.000 +LYS 9 3.800 0.000 0.000 2.541 0.000 0.000 +ASP 10 3.800 0.000 0.000 1.709 0.000 0.000 +GLY 11 3.800 0.000 0.000 0.000 0.000 0.000 +GLY 12 3.800 0.000 0.000 0.000 0.000 0.000 +PRO 13 3.800 0.000 0.000 1.345 0.000 0.000 +SER 14 3.800 0.000 0.000 1.150 0.000 0.000 +SER 15 3.800 0.000 0.000 1.150 0.000 0.000 +GLY 16 3.800 0.000 0.000 0.000 0.000 0.000 +ARG 17 3.800 0.000 0.000 3.020 0.000 0.000 +PRO 18 3.800 0.000 0.000 1.345 0.000 0.000 +PRO 19 3.800 0.000 0.000 1.345 0.000 0.000 +PRO 20 3.800 0.000 0.000 1.345 0.000 0.000 +SER 21 3.800 0.000 0.000 1.150 0.000 0.000 +D 22 3.800 0.000 0.000 0.000 0.000 0.000 + + +******************************************************************************** + Processor 4: end reading molecular data. +******************************************************************************** + + +CSA calculations calculation. + +Conformations will be energy-minimized. +******************************************************************************** + +Waiting for 0.4609 sec +Waiting for 0.6133 sec +Waiting for 0.0547 sec +Waiting for 0.0625 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0312 sec +Waiting for 0.0000 sec + Finishing minim_jlee - signal 0 from master +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.4805 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3398 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.5039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2500 sec +Waiting for 0.0039 sec +Waiting for 0.0156 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 1.0898 sec +Waiting for 0.0391 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3242 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3320 sec +Waiting for 0.0352 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.6953 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 1.3281 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0430 sec +Waiting for 0.3594 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3398 sec +Waiting for 0.0000 sec +Waiting for 0.0117 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.4922 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.2539 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.3203 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2695 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2617 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2812 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2500 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.5508 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3516 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3398 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3008 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.4805 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 1.1016 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3047 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3867 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3086 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3320 sec +Waiting for 0.0000 sec +Waiting for 0.0312 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2617 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.4492 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.3867 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3711 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3203 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3672 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3242 sec +Waiting for 0.0195 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.3164 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.2812 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3320 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2852 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.3164 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2266 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0039 sec +Waiting for 0.0039 sec +Waiting for 0.3438 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.9570 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3438 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.5039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2656 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.4023 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3438 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 1.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.3828 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2383 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0039 sec +Waiting for 0.3008 sec +Waiting for 0.0078 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0078 sec +Waiting for 0.3672 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.4180 sec + Finishing minim_jlee - signal 0 from master + End of minim, proc 4 time 64.8593750000000 +CG processor 4 is finishing work. + Total wall clock time 74.3750000000000 sec diff --git a/examples/unres/CSA/GAB/CSA/local/1l2y_csa.out_GB005 b/examples/unres/CSA/GAB/CSA/local/1l2y_csa.out_GB005 new file mode 100644 index 0000000..005e81a --- /dev/null +++ b/examples/unres/CSA/GAB/CSA/local/1l2y_csa.out_GB005 @@ -0,0 +1,550 @@ +******************************************************************************** +United-residue force field calculation - parallel job. +******************************************************************************** + MPI: node= 5 iseed= -18358457 + ran_num 0.642515346597294 +RMSDBC = 3.0 +RMSDBC1 = 0.5 +RMSDBC1MAX = 1.5 +DRMS = 0.1 +RMSDBCM = 3.0 +Time limit (min): 960.0 + RESCALE_MODE 0 +Library routine used to diagonalize matrices. + +******************************************************************************** + Options in energy minimization: +******************************************************************************** +MaxMin: 3000 MaxFun: 1000MinMin: 3000 MinFun: 3000 TolF: 1.00000E-02 RTolF: 1.00000E-04 + NCONF_IN 0 + +Energy-term weights (unscaled): + +WSCC= 1.352790 (SC-SC) +WSCP= 1.593040 (SC-p) +WELEC= 0.715340 (p-p electr) +WVDWPP= 0.113710 (p-p VDW) +WBOND= 1.000000 (stretching) +WANG= 1.138730 (bending) +WSCLOC= 0.162580 (SC local) +WTOR= 1.985990 (torsional) +WTORD= 1.570690 (double torsional) +WSTRAIN= 1.000000 (SS bridges & dist. cnstr.) +WEL_LOC= 0.160360 (multi-body 3-rd order) +WCORR4= 0.428870 (multi-body 4th order) +WCORR5= 0.000000 (multi-body 5th order) +WCORR6= 0.000000 (multi-body 6th order) +WSCCOR= 0.000000 (back-scloc correlation) +WTURN3= 1.687220 (turns, 3rd order) +WTURN4= 0.662300 (turns, 4th order) +WTURN6= 0.000000 (turns, 6th order) +WDFA_D= 0.000000 (DFA, distance) +WDFA_T= 0.000000 (DFA, torsional) +WDFA_N= 0.000000 (DFA, number of neighbor) +WDFA_B= 0.000000 (DFA, beta formation) + +Hydrogen-bonding correlation between contact pairs of peptide groups + +Scaling factor of 1,4 SC-p interactions: 0.400 +General scaling factor of SC-p interactions: 1.000 + +Energy-term weights (scaled): + +WSCC= 1.352790 (SC-SC) +WSCP= 1.593040 (SC-p) +WELEC= 0.715340 (p-p electr) +WVDWPP= 0.113710 (p-p VDW) +WBOND= 1.000000 (stretching) +WANG= 1.138730 (bending) +WSCLOC= 0.162580 (SC local) +WTOR= 1.985990 (torsional) +WTORD= 1.570690 (double torsional) +WSTRAIN= 1.000000 (SS bridges & dist. cnstr.) +WEL_LOC= 0.160360 (multi-body 3-rd order) +WCORR4= 0.428870 (multi-body 4th order) +WCORR5= 0.000000 (multi-body 5th order) +WCORR6= 0.000000 (multi-body 6th order) +WSCCOR= 0.000000 (back-scloc correlatkion) +WTURN3= 1.687220 (turns, 3rd order) +WTURN4= 0.662300 (turns, 4th order) +WTURN6= 0.000000 (turns, 6th order) +WDFA_D= 0.000000 (DFA, distance) +WDFA_T= 0.000000 (DFA, torsional) +WDFA_N= 0.000000 (DFA, number of neighbor) +WDFA_B= 0.000000 (DFA, beta formation) + Reference temperature for weights calculation: 300.000000000000 + Parameters of the SS-bond potential: + D0CM 3.78000000000000 AKCM 15.1000000000000 AKTH + 11.0000000000000 AKCT 12.0000000000000 + V1SS -1.08000000000000 V2SS 7.61000000000000 V3SS + 13.7000000000000 + EBR -5.50000000000000 + ITEL + 1 21 0 + 2 14 1 + 3 5 1 + 4 8 1 + 5 4 1 + 6 13 1 + 7 7 1 + 8 5 1 + 9 19 1 + 10 16 1 + 11 10 1 + 12 10 2 + 13 20 1 + 14 12 1 + 15 12 1 + 16 10 1 + 17 18 2 + 18 20 2 + 19 20 2 + 20 20 1 + 21 12 0 + ns= 0 iss: + NZ_START= 2 NZ_END= 21 + IZ_SC= 0 + +Geometry of the virtual chain. + Res d Theta Gamma Dsc Alpha Beta +D 1 0.000 0.000 0.000 0.000 0.000 0.000 +ASN 2 3.800 0.000 0.000 1.684 0.000 0.000 +LEU 3 3.800 0.000 0.000 1.939 0.000 0.000 +TYR 4 3.800 0.000 0.000 2.484 0.000 0.000 +ILE 5 3.800 0.000 0.000 1.776 0.000 0.000 +GLN 6 3.800 0.000 0.000 2.240 0.000 0.000 +TRP 7 3.800 0.000 0.000 2.605 0.000 0.000 +LEU 8 3.800 0.000 0.000 1.939 0.000 0.000 +LYS 9 3.800 0.000 0.000 2.541 0.000 0.000 +ASP 10 3.800 0.000 0.000 1.709 0.000 0.000 +GLY 11 3.800 0.000 0.000 0.000 0.000 0.000 +GLY 12 3.800 0.000 0.000 0.000 0.000 0.000 +PRO 13 3.800 0.000 0.000 1.345 0.000 0.000 +SER 14 3.800 0.000 0.000 1.150 0.000 0.000 +SER 15 3.800 0.000 0.000 1.150 0.000 0.000 +GLY 16 3.800 0.000 0.000 0.000 0.000 0.000 +ARG 17 3.800 0.000 0.000 3.020 0.000 0.000 +PRO 18 3.800 0.000 0.000 1.345 0.000 0.000 +PRO 19 3.800 0.000 0.000 1.345 0.000 0.000 +PRO 20 3.800 0.000 0.000 1.345 0.000 0.000 +SER 21 3.800 0.000 0.000 1.150 0.000 0.000 +D 22 3.800 0.000 0.000 0.000 0.000 0.000 + + +******************************************************************************** + Processor 5: end reading molecular data. +******************************************************************************** + + +CSA calculations calculation. + +Conformations will be energy-minimized. +******************************************************************************** + +Waiting for 0.4570 sec +Waiting for 0.6133 sec +Waiting for 0.0078 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0430 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec + Finishing minim_jlee - signal 0 from master +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.5234 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0078 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3320 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.4883 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3203 sec +Waiting for 0.0000 sec +Waiting for 0.0234 sec +Waiting for 0.0000 sec +Waiting for 0.0078 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 1.1055 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0273 sec +Waiting for 0.0000 sec +Waiting for 0.3086 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2734 sec +Waiting for 0.0000 sec +Waiting for 0.0195 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.7227 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 1.4023 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0195 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0195 sec +Waiting for 0.2305 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.3203 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3398 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3125 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.1875 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2695 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2734 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2812 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3320 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0039 sec +Waiting for 0.4805 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3789 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3242 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3906 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3906 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 1.1719 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.3320 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.4023 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.2070 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.3828 sec +Waiting for 0.0000 sec +Waiting for 0.0312 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.2969 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.5078 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.4414 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.3320 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3242 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2773 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3672 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3359 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2852 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2969 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3086 sec +Waiting for 0.0234 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.3086 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.1875 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3867 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 1.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3438 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.4492 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2969 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3555 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3359 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.9531 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3516 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3359 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3281 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3633 sec +Waiting for 0.0039 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3906 sec + Finishing minim_jlee - signal 0 from master + End of minim, proc 5 time 64.8515625000000 +CG processor 5 is finishing work. + Total wall clock time 74.3789062500000 sec diff --git a/examples/unres/CSA/GAB/CSA/local/1l2y_csa.out_GB006 b/examples/unres/CSA/GAB/CSA/local/1l2y_csa.out_GB006 new file mode 100644 index 0000000..1d26f84 --- /dev/null +++ b/examples/unres/CSA/GAB/CSA/local/1l2y_csa.out_GB006 @@ -0,0 +1,544 @@ +******************************************************************************** +United-residue force field calculation - parallel job. +******************************************************************************** + MPI: node= 6 iseed= -21418200 + ran_num 0.916267592450074 +RMSDBC = 3.0 +RMSDBC1 = 0.5 +RMSDBC1MAX = 1.5 +DRMS = 0.1 +RMSDBCM = 3.0 +Time limit (min): 960.0 + RESCALE_MODE 0 +Library routine used to diagonalize matrices. + +******************************************************************************** + Options in energy minimization: +******************************************************************************** +MaxMin: 3000 MaxFun: 1000MinMin: 3000 MinFun: 3000 TolF: 1.00000E-02 RTolF: 1.00000E-04 + NCONF_IN 0 + +Energy-term weights (unscaled): + +WSCC= 1.352790 (SC-SC) +WSCP= 1.593040 (SC-p) +WELEC= 0.715340 (p-p electr) +WVDWPP= 0.113710 (p-p VDW) +WBOND= 1.000000 (stretching) +WANG= 1.138730 (bending) +WSCLOC= 0.162580 (SC local) +WTOR= 1.985990 (torsional) +WTORD= 1.570690 (double torsional) +WSTRAIN= 1.000000 (SS bridges & dist. cnstr.) +WEL_LOC= 0.160360 (multi-body 3-rd order) +WCORR4= 0.428870 (multi-body 4th order) +WCORR5= 0.000000 (multi-body 5th order) +WCORR6= 0.000000 (multi-body 6th order) +WSCCOR= 0.000000 (back-scloc correlation) +WTURN3= 1.687220 (turns, 3rd order) +WTURN4= 0.662300 (turns, 4th order) +WTURN6= 0.000000 (turns, 6th order) +WDFA_D= 0.000000 (DFA, distance) +WDFA_T= 0.000000 (DFA, torsional) +WDFA_N= 0.000000 (DFA, number of neighbor) +WDFA_B= 0.000000 (DFA, beta formation) + +Hydrogen-bonding correlation between contact pairs of peptide groups + +Scaling factor of 1,4 SC-p interactions: 0.400 +General scaling factor of SC-p interactions: 1.000 + +Energy-term weights (scaled): + +WSCC= 1.352790 (SC-SC) +WSCP= 1.593040 (SC-p) +WELEC= 0.715340 (p-p electr) +WVDWPP= 0.113710 (p-p VDW) +WBOND= 1.000000 (stretching) +WANG= 1.138730 (bending) +WSCLOC= 0.162580 (SC local) +WTOR= 1.985990 (torsional) +WTORD= 1.570690 (double torsional) +WSTRAIN= 1.000000 (SS bridges & dist. cnstr.) +WEL_LOC= 0.160360 (multi-body 3-rd order) +WCORR4= 0.428870 (multi-body 4th order) +WCORR5= 0.000000 (multi-body 5th order) +WCORR6= 0.000000 (multi-body 6th order) +WSCCOR= 0.000000 (back-scloc correlatkion) +WTURN3= 1.687220 (turns, 3rd order) +WTURN4= 0.662300 (turns, 4th order) +WTURN6= 0.000000 (turns, 6th order) +WDFA_D= 0.000000 (DFA, distance) +WDFA_T= 0.000000 (DFA, torsional) +WDFA_N= 0.000000 (DFA, number of neighbor) +WDFA_B= 0.000000 (DFA, beta formation) + Reference temperature for weights calculation: 300.000000000000 + Parameters of the SS-bond potential: + D0CM 3.78000000000000 AKCM 15.1000000000000 AKTH + 11.0000000000000 AKCT 12.0000000000000 + V1SS -1.08000000000000 V2SS 7.61000000000000 V3SS + 13.7000000000000 + EBR -5.50000000000000 + ITEL + 1 21 0 + 2 14 1 + 3 5 1 + 4 8 1 + 5 4 1 + 6 13 1 + 7 7 1 + 8 5 1 + 9 19 1 + 10 16 1 + 11 10 1 + 12 10 2 + 13 20 1 + 14 12 1 + 15 12 1 + 16 10 1 + 17 18 2 + 18 20 2 + 19 20 2 + 20 20 1 + 21 12 0 + ns= 0 iss: + NZ_START= 2 NZ_END= 21 + IZ_SC= 0 + +Geometry of the virtual chain. + Res d Theta Gamma Dsc Alpha Beta +D 1 0.000 0.000 0.000 0.000 0.000 0.000 +ASN 2 3.800 0.000 0.000 1.684 0.000 0.000 +LEU 3 3.800 0.000 0.000 1.939 0.000 0.000 +TYR 4 3.800 0.000 0.000 2.484 0.000 0.000 +ILE 5 3.800 0.000 0.000 1.776 0.000 0.000 +GLN 6 3.800 0.000 0.000 2.240 0.000 0.000 +TRP 7 3.800 0.000 0.000 2.605 0.000 0.000 +LEU 8 3.800 0.000 0.000 1.939 0.000 0.000 +LYS 9 3.800 0.000 0.000 2.541 0.000 0.000 +ASP 10 3.800 0.000 0.000 1.709 0.000 0.000 +GLY 11 3.800 0.000 0.000 0.000 0.000 0.000 +GLY 12 3.800 0.000 0.000 0.000 0.000 0.000 +PRO 13 3.800 0.000 0.000 1.345 0.000 0.000 +SER 14 3.800 0.000 0.000 1.150 0.000 0.000 +SER 15 3.800 0.000 0.000 1.150 0.000 0.000 +GLY 16 3.800 0.000 0.000 0.000 0.000 0.000 +ARG 17 3.800 0.000 0.000 3.020 0.000 0.000 +PRO 18 3.800 0.000 0.000 1.345 0.000 0.000 +PRO 19 3.800 0.000 0.000 1.345 0.000 0.000 +PRO 20 3.800 0.000 0.000 1.345 0.000 0.000 +SER 21 3.800 0.000 0.000 1.150 0.000 0.000 +D 22 3.800 0.000 0.000 0.000 0.000 0.000 + + +******************************************************************************** + Processor 6: end reading molecular data. +******************************************************************************** + + +CSA calculations calculation. + +Conformations will be energy-minimized. +******************************************************************************** + +Waiting for 0.4570 sec +Waiting for 0.9102 sec +Waiting for 0.0625 sec +Waiting for 0.0625 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec + Finishing minim_jlee - signal 0 from master +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2969 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.2617 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.5078 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3359 sec +Waiting for 0.0430 sec +Waiting for 0.0195 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0039 sec +Waiting for 1.0234 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0508 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3438 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.2656 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.7539 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 1.3359 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0078 sec +Waiting for 0.3633 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2773 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.4609 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2344 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2930 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2773 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.2969 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2109 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2891 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.5859 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.3672 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2422 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3164 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.4023 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 1.1523 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.2891 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.3633 sec +Waiting for 0.0156 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2188 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3359 sec +Waiting for 0.0352 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.2930 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.5117 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3516 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3867 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3711 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.2422 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3477 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.3320 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2734 sec +Waiting for 0.0078 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3320 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3281 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3281 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2148 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3594 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.8750 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3438 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.5039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.3438 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0391 sec +Waiting for 0.4141 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3125 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.9805 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3867 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3359 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.3242 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3945 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.4102 sec + Finishing minim_jlee - signal 0 from master + End of minim, proc 6 time 64.8046875000000 +CG processor 6 is finishing work. + Total wall clock time 74.3750000000000 sec diff --git a/examples/unres/CSA/GAB/CSA/local/1l2y_csa.out_GB007 b/examples/unres/CSA/GAB/CSA/local/1l2y_csa.out_GB007 new file mode 100644 index 0000000..802eb55 --- /dev/null +++ b/examples/unres/CSA/GAB/CSA/local/1l2y_csa.out_GB007 @@ -0,0 +1,564 @@ +******************************************************************************** +United-residue force field calculation - parallel job. +******************************************************************************** + MPI: node= 7 iseed= -24477943 + ran_num 0.190019838302853 +RMSDBC = 3.0 +RMSDBC1 = 0.5 +RMSDBC1MAX = 1.5 +DRMS = 0.1 +RMSDBCM = 3.0 +Time limit (min): 960.0 + RESCALE_MODE 0 +Library routine used to diagonalize matrices. + +******************************************************************************** + Options in energy minimization: +******************************************************************************** +MaxMin: 3000 MaxFun: 1000MinMin: 3000 MinFun: 3000 TolF: 1.00000E-02 RTolF: 1.00000E-04 + NCONF_IN 0 + +Energy-term weights (unscaled): + +WSCC= 1.352790 (SC-SC) +WSCP= 1.593040 (SC-p) +WELEC= 0.715340 (p-p electr) +WVDWPP= 0.113710 (p-p VDW) +WBOND= 1.000000 (stretching) +WANG= 1.138730 (bending) +WSCLOC= 0.162580 (SC local) +WTOR= 1.985990 (torsional) +WTORD= 1.570690 (double torsional) +WSTRAIN= 1.000000 (SS bridges & dist. cnstr.) +WEL_LOC= 0.160360 (multi-body 3-rd order) +WCORR4= 0.428870 (multi-body 4th order) +WCORR5= 0.000000 (multi-body 5th order) +WCORR6= 0.000000 (multi-body 6th order) +WSCCOR= 0.000000 (back-scloc correlation) +WTURN3= 1.687220 (turns, 3rd order) +WTURN4= 0.662300 (turns, 4th order) +WTURN6= 0.000000 (turns, 6th order) +WDFA_D= 0.000000 (DFA, distance) +WDFA_T= 0.000000 (DFA, torsional) +WDFA_N= 0.000000 (DFA, number of neighbor) +WDFA_B= 0.000000 (DFA, beta formation) + +Hydrogen-bonding correlation between contact pairs of peptide groups + +Scaling factor of 1,4 SC-p interactions: 0.400 +General scaling factor of SC-p interactions: 1.000 + +Energy-term weights (scaled): + +WSCC= 1.352790 (SC-SC) +WSCP= 1.593040 (SC-p) +WELEC= 0.715340 (p-p electr) +WVDWPP= 0.113710 (p-p VDW) +WBOND= 1.000000 (stretching) +WANG= 1.138730 (bending) +WSCLOC= 0.162580 (SC local) +WTOR= 1.985990 (torsional) +WTORD= 1.570690 (double torsional) +WSTRAIN= 1.000000 (SS bridges & dist. cnstr.) +WEL_LOC= 0.160360 (multi-body 3-rd order) +WCORR4= 0.428870 (multi-body 4th order) +WCORR5= 0.000000 (multi-body 5th order) +WCORR6= 0.000000 (multi-body 6th order) +WSCCOR= 0.000000 (back-scloc correlatkion) +WTURN3= 1.687220 (turns, 3rd order) +WTURN4= 0.662300 (turns, 4th order) +WTURN6= 0.000000 (turns, 6th order) +WDFA_D= 0.000000 (DFA, distance) +WDFA_T= 0.000000 (DFA, torsional) +WDFA_N= 0.000000 (DFA, number of neighbor) +WDFA_B= 0.000000 (DFA, beta formation) + Reference temperature for weights calculation: 300.000000000000 + Parameters of the SS-bond potential: + D0CM 3.78000000000000 AKCM 15.1000000000000 AKTH + 11.0000000000000 AKCT 12.0000000000000 + V1SS -1.08000000000000 V2SS 7.61000000000000 V3SS + 13.7000000000000 + EBR -5.50000000000000 + ITEL + 1 21 0 + 2 14 1 + 3 5 1 + 4 8 1 + 5 4 1 + 6 13 1 + 7 7 1 + 8 5 1 + 9 19 1 + 10 16 1 + 11 10 1 + 12 10 2 + 13 20 1 + 14 12 1 + 15 12 1 + 16 10 1 + 17 18 2 + 18 20 2 + 19 20 2 + 20 20 1 + 21 12 0 + ns= 0 iss: + NZ_START= 2 NZ_END= 21 + IZ_SC= 0 + +Geometry of the virtual chain. + Res d Theta Gamma Dsc Alpha Beta +D 1 0.000 0.000 0.000 0.000 0.000 0.000 +ASN 2 3.800 0.000 0.000 1.684 0.000 0.000 +LEU 3 3.800 0.000 0.000 1.939 0.000 0.000 +TYR 4 3.800 0.000 0.000 2.484 0.000 0.000 +ILE 5 3.800 0.000 0.000 1.776 0.000 0.000 +GLN 6 3.800 0.000 0.000 2.240 0.000 0.000 +TRP 7 3.800 0.000 0.000 2.605 0.000 0.000 +LEU 8 3.800 0.000 0.000 1.939 0.000 0.000 +LYS 9 3.800 0.000 0.000 2.541 0.000 0.000 +ASP 10 3.800 0.000 0.000 1.709 0.000 0.000 +GLY 11 3.800 0.000 0.000 0.000 0.000 0.000 +GLY 12 3.800 0.000 0.000 0.000 0.000 0.000 +PRO 13 3.800 0.000 0.000 1.345 0.000 0.000 +SER 14 3.800 0.000 0.000 1.150 0.000 0.000 +SER 15 3.800 0.000 0.000 1.150 0.000 0.000 +GLY 16 3.800 0.000 0.000 0.000 0.000 0.000 +ARG 17 3.800 0.000 0.000 3.020 0.000 0.000 +PRO 18 3.800 0.000 0.000 1.345 0.000 0.000 +PRO 19 3.800 0.000 0.000 1.345 0.000 0.000 +PRO 20 3.800 0.000 0.000 1.345 0.000 0.000 +SER 21 3.800 0.000 0.000 1.150 0.000 0.000 +D 22 3.800 0.000 0.000 0.000 0.000 0.000 + + +******************************************************************************** + Processor 7: end reading molecular data. +******************************************************************************** + + +CSA calculations calculation. + +Conformations will be energy-minimized. +******************************************************************************** + +Waiting for 0.4609 sec +Waiting for 0.7305 sec +Waiting for 0.0742 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0234 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec + Finishing minim_jlee - signal 0 from master +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.5117 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3398 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3750 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.3164 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0156 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 1.0898 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0586 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3242 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3477 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.6758 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 1.3867 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0938 sec +Waiting for 0.3555 sec +Waiting for 0.0117 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3398 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0352 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.4453 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.2773 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2930 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2578 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3125 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3164 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3789 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.5547 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3438 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3516 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3633 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.4922 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 1.1250 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2969 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3789 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2344 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0078 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3164 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.3164 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.5000 sec +Waiting for 0.0039 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.4297 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3867 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.3242 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3477 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3438 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0039 sec +Waiting for 0.3359 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.2617 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3516 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.3203 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.3164 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3008 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3477 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.9727 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3320 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.4609 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2969 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3555 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3398 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.9961 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3750 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3516 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3086 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2500 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.3633 sec + Finishing minim_jlee - signal 0 from master + End of minim, proc 7 time 64.8554687500000 +CG processor 7 is finishing work. + Total wall clock time 74.3750000000000 sec diff --git a/examples/unres/CSA/GAB/CSA/local/1l2y_csa.out_GB008 b/examples/unres/CSA/GAB/CSA/local/1l2y_csa.out_GB008 new file mode 100644 index 0000000..032d2e4 --- /dev/null +++ b/examples/unres/CSA/GAB/CSA/local/1l2y_csa.out_GB008 @@ -0,0 +1,602 @@ +******************************************************************************** +United-residue force field calculation - parallel job. +******************************************************************************** + MPI: node= 8 iseed= -27537686 + ran_num 0.463772084155633 +RMSDBC = 3.0 +RMSDBC1 = 0.5 +RMSDBC1MAX = 1.5 +DRMS = 0.1 +RMSDBCM = 3.0 +Time limit (min): 960.0 + RESCALE_MODE 0 +Library routine used to diagonalize matrices. + +******************************************************************************** + Options in energy minimization: +******************************************************************************** +MaxMin: 3000 MaxFun: 1000MinMin: 3000 MinFun: 3000 TolF: 1.00000E-02 RTolF: 1.00000E-04 + NCONF_IN 0 + +Energy-term weights (unscaled): + +WSCC= 1.352790 (SC-SC) +WSCP= 1.593040 (SC-p) +WELEC= 0.715340 (p-p electr) +WVDWPP= 0.113710 (p-p VDW) +WBOND= 1.000000 (stretching) +WANG= 1.138730 (bending) +WSCLOC= 0.162580 (SC local) +WTOR= 1.985990 (torsional) +WTORD= 1.570690 (double torsional) +WSTRAIN= 1.000000 (SS bridges & dist. cnstr.) +WEL_LOC= 0.160360 (multi-body 3-rd order) +WCORR4= 0.428870 (multi-body 4th order) +WCORR5= 0.000000 (multi-body 5th order) +WCORR6= 0.000000 (multi-body 6th order) +WSCCOR= 0.000000 (back-scloc correlation) +WTURN3= 1.687220 (turns, 3rd order) +WTURN4= 0.662300 (turns, 4th order) +WTURN6= 0.000000 (turns, 6th order) +WDFA_D= 0.000000 (DFA, distance) +WDFA_T= 0.000000 (DFA, torsional) +WDFA_N= 0.000000 (DFA, number of neighbor) +WDFA_B= 0.000000 (DFA, beta formation) + +Hydrogen-bonding correlation between contact pairs of peptide groups + +Scaling factor of 1,4 SC-p interactions: 0.400 +General scaling factor of SC-p interactions: 1.000 + +Energy-term weights (scaled): + +WSCC= 1.352790 (SC-SC) +WSCP= 1.593040 (SC-p) +WELEC= 0.715340 (p-p electr) +WVDWPP= 0.113710 (p-p VDW) +WBOND= 1.000000 (stretching) +WANG= 1.138730 (bending) +WSCLOC= 0.162580 (SC local) +WTOR= 1.985990 (torsional) +WTORD= 1.570690 (double torsional) +WSTRAIN= 1.000000 (SS bridges & dist. cnstr.) +WEL_LOC= 0.160360 (multi-body 3-rd order) +WCORR4= 0.428870 (multi-body 4th order) +WCORR5= 0.000000 (multi-body 5th order) +WCORR6= 0.000000 (multi-body 6th order) +WSCCOR= 0.000000 (back-scloc correlatkion) +WTURN3= 1.687220 (turns, 3rd order) +WTURN4= 0.662300 (turns, 4th order) +WTURN6= 0.000000 (turns, 6th order) +WDFA_D= 0.000000 (DFA, distance) +WDFA_T= 0.000000 (DFA, torsional) +WDFA_N= 0.000000 (DFA, number of neighbor) +WDFA_B= 0.000000 (DFA, beta formation) + Reference temperature for weights calculation: 300.000000000000 + Parameters of the SS-bond potential: + D0CM 3.78000000000000 AKCM 15.1000000000000 AKTH + 11.0000000000000 AKCT 12.0000000000000 + V1SS -1.08000000000000 V2SS 7.61000000000000 V3SS + 13.7000000000000 + EBR -5.50000000000000 + ITEL + 1 21 0 + 2 14 1 + 3 5 1 + 4 8 1 + 5 4 1 + 6 13 1 + 7 7 1 + 8 5 1 + 9 19 1 + 10 16 1 + 11 10 1 + 12 10 2 + 13 20 1 + 14 12 1 + 15 12 1 + 16 10 1 + 17 18 2 + 18 20 2 + 19 20 2 + 20 20 1 + 21 12 0 + ns= 0 iss: + NZ_START= 2 NZ_END= 21 + IZ_SC= 0 + +Geometry of the virtual chain. + Res d Theta Gamma Dsc Alpha Beta +D 1 0.000 0.000 0.000 0.000 0.000 0.000 +ASN 2 3.800 0.000 0.000 1.684 0.000 0.000 +LEU 3 3.800 0.000 0.000 1.939 0.000 0.000 +TYR 4 3.800 0.000 0.000 2.484 0.000 0.000 +ILE 5 3.800 0.000 0.000 1.776 0.000 0.000 +GLN 6 3.800 0.000 0.000 2.240 0.000 0.000 +TRP 7 3.800 0.000 0.000 2.605 0.000 0.000 +LEU 8 3.800 0.000 0.000 1.939 0.000 0.000 +LYS 9 3.800 0.000 0.000 2.541 0.000 0.000 +ASP 10 3.800 0.000 0.000 1.709 0.000 0.000 +GLY 11 3.800 0.000 0.000 0.000 0.000 0.000 +GLY 12 3.800 0.000 0.000 0.000 0.000 0.000 +PRO 13 3.800 0.000 0.000 1.345 0.000 0.000 +SER 14 3.800 0.000 0.000 1.150 0.000 0.000 +SER 15 3.800 0.000 0.000 1.150 0.000 0.000 +GLY 16 3.800 0.000 0.000 0.000 0.000 0.000 +ARG 17 3.800 0.000 0.000 3.020 0.000 0.000 +PRO 18 3.800 0.000 0.000 1.345 0.000 0.000 +PRO 19 3.800 0.000 0.000 1.345 0.000 0.000 +PRO 20 3.800 0.000 0.000 1.345 0.000 0.000 +SER 21 3.800 0.000 0.000 1.150 0.000 0.000 +D 22 3.800 0.000 0.000 0.000 0.000 0.000 + + +******************************************************************************** + Processor 8: end reading molecular data. +******************************************************************************** + + +CSA calculations calculation. + +Conformations will be energy-minimized. +******************************************************************************** + +Waiting for 0.4492 sec +Waiting for 0.8086 sec +Waiting for 0.1211 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0117 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec + Finishing minim_jlee - signal 0 from master +Waiting for 0.6914 sec +Waiting for 0.0664 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0586 sec +Waiting for 0.0234 sec +Waiting for 0.4922 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.4375 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3281 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.5117 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.3086 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 1.0859 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0273 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3281 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3438 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.7539 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 1.4219 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0312 sec +Waiting for 0.0117 sec +Waiting for 0.0000 sec +Waiting for 0.3359 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2773 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.4844 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2734 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3086 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2695 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2461 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3242 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3359 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.5312 sec +Waiting for 0.0195 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2383 sec +Waiting for 0.0117 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3281 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3867 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.4023 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 1.1523 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2969 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3711 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3164 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.2891 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0273 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2812 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.5234 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.3711 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3359 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.3164 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2148 sec +Waiting for 0.0078 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3398 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.3047 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2227 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3438 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3398 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.2188 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2773 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3633 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.9219 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3750 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.5117 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.2812 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0391 sec +Waiting for 0.4180 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2500 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.9961 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3008 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2734 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3086 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.4102 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.3594 sec + Finishing minim_jlee - signal 0 from master + End of minim, proc 8 time 67.8164062500000 +CG processor 8 is finishing work. + Total wall clock time 74.3710937500000 sec diff --git a/examples/unres/CSA/GAB/CSA/local/1l2y_csa.out_GB009 b/examples/unres/CSA/GAB/CSA/local/1l2y_csa.out_GB009 new file mode 100644 index 0000000..bdd89a0 --- /dev/null +++ b/examples/unres/CSA/GAB/CSA/local/1l2y_csa.out_GB009 @@ -0,0 +1,583 @@ +******************************************************************************** +United-residue force field calculation - parallel job. +******************************************************************************** + MPI: node= 9 iseed= -30597429 + ran_num 0.737524330008412 +RMSDBC = 3.0 +RMSDBC1 = 0.5 +RMSDBC1MAX = 1.5 +DRMS = 0.1 +RMSDBCM = 3.0 +Time limit (min): 960.0 + RESCALE_MODE 0 +Library routine used to diagonalize matrices. + +******************************************************************************** + Options in energy minimization: +******************************************************************************** +MaxMin: 3000 MaxFun: 1000MinMin: 3000 MinFun: 3000 TolF: 1.00000E-02 RTolF: 1.00000E-04 + NCONF_IN 0 + +Energy-term weights (unscaled): + +WSCC= 1.352790 (SC-SC) +WSCP= 1.593040 (SC-p) +WELEC= 0.715340 (p-p electr) +WVDWPP= 0.113710 (p-p VDW) +WBOND= 1.000000 (stretching) +WANG= 1.138730 (bending) +WSCLOC= 0.162580 (SC local) +WTOR= 1.985990 (torsional) +WTORD= 1.570690 (double torsional) +WSTRAIN= 1.000000 (SS bridges & dist. cnstr.) +WEL_LOC= 0.160360 (multi-body 3-rd order) +WCORR4= 0.428870 (multi-body 4th order) +WCORR5= 0.000000 (multi-body 5th order) +WCORR6= 0.000000 (multi-body 6th order) +WSCCOR= 0.000000 (back-scloc correlation) +WTURN3= 1.687220 (turns, 3rd order) +WTURN4= 0.662300 (turns, 4th order) +WTURN6= 0.000000 (turns, 6th order) +WDFA_D= 0.000000 (DFA, distance) +WDFA_T= 0.000000 (DFA, torsional) +WDFA_N= 0.000000 (DFA, number of neighbor) +WDFA_B= 0.000000 (DFA, beta formation) + +Hydrogen-bonding correlation between contact pairs of peptide groups + +Scaling factor of 1,4 SC-p interactions: 0.400 +General scaling factor of SC-p interactions: 1.000 + +Energy-term weights (scaled): + +WSCC= 1.352790 (SC-SC) +WSCP= 1.593040 (SC-p) +WELEC= 0.715340 (p-p electr) +WVDWPP= 0.113710 (p-p VDW) +WBOND= 1.000000 (stretching) +WANG= 1.138730 (bending) +WSCLOC= 0.162580 (SC local) +WTOR= 1.985990 (torsional) +WTORD= 1.570690 (double torsional) +WSTRAIN= 1.000000 (SS bridges & dist. cnstr.) +WEL_LOC= 0.160360 (multi-body 3-rd order) +WCORR4= 0.428870 (multi-body 4th order) +WCORR5= 0.000000 (multi-body 5th order) +WCORR6= 0.000000 (multi-body 6th order) +WSCCOR= 0.000000 (back-scloc correlatkion) +WTURN3= 1.687220 (turns, 3rd order) +WTURN4= 0.662300 (turns, 4th order) +WTURN6= 0.000000 (turns, 6th order) +WDFA_D= 0.000000 (DFA, distance) +WDFA_T= 0.000000 (DFA, torsional) +WDFA_N= 0.000000 (DFA, number of neighbor) +WDFA_B= 0.000000 (DFA, beta formation) + Reference temperature for weights calculation: 300.000000000000 + Parameters of the SS-bond potential: + D0CM 3.78000000000000 AKCM 15.1000000000000 AKTH + 11.0000000000000 AKCT 12.0000000000000 + V1SS -1.08000000000000 V2SS 7.61000000000000 V3SS + 13.7000000000000 + EBR -5.50000000000000 + ITEL + 1 21 0 + 2 14 1 + 3 5 1 + 4 8 1 + 5 4 1 + 6 13 1 + 7 7 1 + 8 5 1 + 9 19 1 + 10 16 1 + 11 10 1 + 12 10 2 + 13 20 1 + 14 12 1 + 15 12 1 + 16 10 1 + 17 18 2 + 18 20 2 + 19 20 2 + 20 20 1 + 21 12 0 + ns= 0 iss: + NZ_START= 2 NZ_END= 21 + IZ_SC= 0 + +Geometry of the virtual chain. + Res d Theta Gamma Dsc Alpha Beta +D 1 0.000 0.000 0.000 0.000 0.000 0.000 +ASN 2 3.800 0.000 0.000 1.684 0.000 0.000 +LEU 3 3.800 0.000 0.000 1.939 0.000 0.000 +TYR 4 3.800 0.000 0.000 2.484 0.000 0.000 +ILE 5 3.800 0.000 0.000 1.776 0.000 0.000 +GLN 6 3.800 0.000 0.000 2.240 0.000 0.000 +TRP 7 3.800 0.000 0.000 2.605 0.000 0.000 +LEU 8 3.800 0.000 0.000 1.939 0.000 0.000 +LYS 9 3.800 0.000 0.000 2.541 0.000 0.000 +ASP 10 3.800 0.000 0.000 1.709 0.000 0.000 +GLY 11 3.800 0.000 0.000 0.000 0.000 0.000 +GLY 12 3.800 0.000 0.000 0.000 0.000 0.000 +PRO 13 3.800 0.000 0.000 1.345 0.000 0.000 +SER 14 3.800 0.000 0.000 1.150 0.000 0.000 +SER 15 3.800 0.000 0.000 1.150 0.000 0.000 +GLY 16 3.800 0.000 0.000 0.000 0.000 0.000 +ARG 17 3.800 0.000 0.000 3.020 0.000 0.000 +PRO 18 3.800 0.000 0.000 1.345 0.000 0.000 +PRO 19 3.800 0.000 0.000 1.345 0.000 0.000 +PRO 20 3.800 0.000 0.000 1.345 0.000 0.000 +SER 21 3.800 0.000 0.000 1.150 0.000 0.000 +D 22 3.800 0.000 0.000 0.000 0.000 0.000 + + +******************************************************************************** + Processor 9: end reading molecular data. +******************************************************************************** + + +CSA calculations calculation. + +Conformations will be energy-minimized. +******************************************************************************** + +Waiting for 0.4492 sec +Waiting for 0.7031 sec +Waiting for 0.1133 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0078 sec +Waiting for 0.0078 sec +Waiting for 0.0000 sec + Finishing minim_jlee - signal 0 from master +Waiting for 0.6797 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0469 sec +Waiting for 0.5078 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.5195 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3320 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.5117 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3047 sec +Waiting for 0.0117 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 1.0938 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0625 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3086 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.2852 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.6445 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 1.4062 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0234 sec +Waiting for 0.0039 sec +Waiting for 0.3242 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3008 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0469 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.4883 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2500 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2383 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2930 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2539 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3047 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.3359 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.5703 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3125 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3516 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3125 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.4727 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 1.1562 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.2891 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3789 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.2930 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3672 sec +Waiting for 0.0000 sec +Waiting for 0.0078 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.1562 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.5000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3984 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.3516 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3516 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3477 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3711 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3672 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2461 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2969 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3320 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.3555 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2461 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3008 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.9453 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.3984 sec +Waiting for 0.0000 sec +Waiting for 0.0078 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.5195 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3164 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0430 sec +Waiting for 0.4258 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3242 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.9805 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3711 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3516 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.2852 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3789 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3672 sec + Finishing minim_jlee - signal 0 from master + End of minim, proc 9 time 67.8125000000000 +CG processor 9 is finishing work. + Total wall clock time 74.3710937500000 sec diff --git a/examples/unres/CSA/GAB/CSA/local/1l2y_csa.out_GB010 b/examples/unres/CSA/GAB/CSA/local/1l2y_csa.out_GB010 new file mode 100644 index 0000000..cc8c668 --- /dev/null +++ b/examples/unres/CSA/GAB/CSA/local/1l2y_csa.out_GB010 @@ -0,0 +1,586 @@ +******************************************************************************** +United-residue force field calculation - parallel job. +******************************************************************************** + MPI: node= 10 iseed= -33657172 + ran_num 1.127657586119180E-002 +RMSDBC = 3.0 +RMSDBC1 = 0.5 +RMSDBC1MAX = 1.5 +DRMS = 0.1 +RMSDBCM = 3.0 +Time limit (min): 960.0 + RESCALE_MODE 0 +Library routine used to diagonalize matrices. + +******************************************************************************** + Options in energy minimization: +******************************************************************************** +MaxMin: 3000 MaxFun: 1000MinMin: 3000 MinFun: 3000 TolF: 1.00000E-02 RTolF: 1.00000E-04 + NCONF_IN 0 + +Energy-term weights (unscaled): + +WSCC= 1.352790 (SC-SC) +WSCP= 1.593040 (SC-p) +WELEC= 0.715340 (p-p electr) +WVDWPP= 0.113710 (p-p VDW) +WBOND= 1.000000 (stretching) +WANG= 1.138730 (bending) +WSCLOC= 0.162580 (SC local) +WTOR= 1.985990 (torsional) +WTORD= 1.570690 (double torsional) +WSTRAIN= 1.000000 (SS bridges & dist. cnstr.) +WEL_LOC= 0.160360 (multi-body 3-rd order) +WCORR4= 0.428870 (multi-body 4th order) +WCORR5= 0.000000 (multi-body 5th order) +WCORR6= 0.000000 (multi-body 6th order) +WSCCOR= 0.000000 (back-scloc correlation) +WTURN3= 1.687220 (turns, 3rd order) +WTURN4= 0.662300 (turns, 4th order) +WTURN6= 0.000000 (turns, 6th order) +WDFA_D= 0.000000 (DFA, distance) +WDFA_T= 0.000000 (DFA, torsional) +WDFA_N= 0.000000 (DFA, number of neighbor) +WDFA_B= 0.000000 (DFA, beta formation) + +Hydrogen-bonding correlation between contact pairs of peptide groups + +Scaling factor of 1,4 SC-p interactions: 0.400 +General scaling factor of SC-p interactions: 1.000 + +Energy-term weights (scaled): + +WSCC= 1.352790 (SC-SC) +WSCP= 1.593040 (SC-p) +WELEC= 0.715340 (p-p electr) +WVDWPP= 0.113710 (p-p VDW) +WBOND= 1.000000 (stretching) +WANG= 1.138730 (bending) +WSCLOC= 0.162580 (SC local) +WTOR= 1.985990 (torsional) +WTORD= 1.570690 (double torsional) +WSTRAIN= 1.000000 (SS bridges & dist. cnstr.) +WEL_LOC= 0.160360 (multi-body 3-rd order) +WCORR4= 0.428870 (multi-body 4th order) +WCORR5= 0.000000 (multi-body 5th order) +WCORR6= 0.000000 (multi-body 6th order) +WSCCOR= 0.000000 (back-scloc correlatkion) +WTURN3= 1.687220 (turns, 3rd order) +WTURN4= 0.662300 (turns, 4th order) +WTURN6= 0.000000 (turns, 6th order) +WDFA_D= 0.000000 (DFA, distance) +WDFA_T= 0.000000 (DFA, torsional) +WDFA_N= 0.000000 (DFA, number of neighbor) +WDFA_B= 0.000000 (DFA, beta formation) + Reference temperature for weights calculation: 300.000000000000 + Parameters of the SS-bond potential: + D0CM 3.78000000000000 AKCM 15.1000000000000 AKTH + 11.0000000000000 AKCT 12.0000000000000 + V1SS -1.08000000000000 V2SS 7.61000000000000 V3SS + 13.7000000000000 + EBR -5.50000000000000 + ITEL + 1 21 0 + 2 14 1 + 3 5 1 + 4 8 1 + 5 4 1 + 6 13 1 + 7 7 1 + 8 5 1 + 9 19 1 + 10 16 1 + 11 10 1 + 12 10 2 + 13 20 1 + 14 12 1 + 15 12 1 + 16 10 1 + 17 18 2 + 18 20 2 + 19 20 2 + 20 20 1 + 21 12 0 + ns= 0 iss: + NZ_START= 2 NZ_END= 21 + IZ_SC= 0 + +Geometry of the virtual chain. + Res d Theta Gamma Dsc Alpha Beta +D 1 0.000 0.000 0.000 0.000 0.000 0.000 +ASN 2 3.800 0.000 0.000 1.684 0.000 0.000 +LEU 3 3.800 0.000 0.000 1.939 0.000 0.000 +TYR 4 3.800 0.000 0.000 2.484 0.000 0.000 +ILE 5 3.800 0.000 0.000 1.776 0.000 0.000 +GLN 6 3.800 0.000 0.000 2.240 0.000 0.000 +TRP 7 3.800 0.000 0.000 2.605 0.000 0.000 +LEU 8 3.800 0.000 0.000 1.939 0.000 0.000 +LYS 9 3.800 0.000 0.000 2.541 0.000 0.000 +ASP 10 3.800 0.000 0.000 1.709 0.000 0.000 +GLY 11 3.800 0.000 0.000 0.000 0.000 0.000 +GLY 12 3.800 0.000 0.000 0.000 0.000 0.000 +PRO 13 3.800 0.000 0.000 1.345 0.000 0.000 +SER 14 3.800 0.000 0.000 1.150 0.000 0.000 +SER 15 3.800 0.000 0.000 1.150 0.000 0.000 +GLY 16 3.800 0.000 0.000 0.000 0.000 0.000 +ARG 17 3.800 0.000 0.000 3.020 0.000 0.000 +PRO 18 3.800 0.000 0.000 1.345 0.000 0.000 +PRO 19 3.800 0.000 0.000 1.345 0.000 0.000 +PRO 20 3.800 0.000 0.000 1.345 0.000 0.000 +SER 21 3.800 0.000 0.000 1.150 0.000 0.000 +D 22 3.800 0.000 0.000 0.000 0.000 0.000 + + +******************************************************************************** + Processor 10: end reading molecular data. +******************************************************************************** + + +CSA calculations calculation. + +Conformations will be energy-minimized. +******************************************************************************** + +Waiting for 0.4492 sec +Waiting for 0.7656 sec +Waiting for 0.0508 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0273 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec + Finishing minim_jlee - signal 0 from master +Waiting for 0.6797 sec +Waiting for 0.0039 sec +Waiting for 0.0195 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0078 sec +Waiting for 0.4922 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.4766 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2969 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.5039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3320 sec +Waiting for 0.0000 sec +Waiting for 0.0391 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 1.1055 sec +Waiting for 0.0078 sec +Waiting for 0.0000 sec +Waiting for 0.0117 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2070 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2852 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.7461 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 1.3789 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0664 sec +Waiting for 0.3594 sec +Waiting for 0.0000 sec +Waiting for 0.0234 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2852 sec +Waiting for 0.0000 sec +Waiting for 0.0273 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.4141 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2930 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3047 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2656 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.3047 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3398 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.2930 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.5352 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.3672 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2188 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3633 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.3867 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 1.0820 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3320 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.3008 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3047 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3555 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2891 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.4102 sec +Waiting for 0.0234 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.3438 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3633 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3594 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3555 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3711 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.3711 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.1758 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.3477 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.3281 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3359 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2070 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.3789 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 1.0156 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.3125 sec +Waiting for 0.0000 sec +Waiting for 0.0078 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.5156 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0078 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3555 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3125 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3047 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 1.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3281 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3320 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3359 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3633 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3828 sec + Finishing minim_jlee - signal 0 from master + End of minim, proc 10 time 67.8164062500000 +CG processor 10 is finishing work. + Total wall clock time 74.3710937500000 sec diff --git a/examples/unres/CSA/GAB/CSA/local/1l2y_csa.out_GB011 b/examples/unres/CSA/GAB/CSA/local/1l2y_csa.out_GB011 new file mode 100644 index 0000000..f27a8e8 --- /dev/null +++ b/examples/unres/CSA/GAB/CSA/local/1l2y_csa.out_GB011 @@ -0,0 +1,575 @@ +******************************************************************************** +United-residue force field calculation - parallel job. +******************************************************************************** + MPI: node= 11 iseed= -36716915 + ran_num 0.285028821713971 +RMSDBC = 3.0 +RMSDBC1 = 0.5 +RMSDBC1MAX = 1.5 +DRMS = 0.1 +RMSDBCM = 3.0 +Time limit (min): 960.0 + RESCALE_MODE 0 +Library routine used to diagonalize matrices. + +******************************************************************************** + Options in energy minimization: +******************************************************************************** +MaxMin: 3000 MaxFun: 1000MinMin: 3000 MinFun: 3000 TolF: 1.00000E-02 RTolF: 1.00000E-04 + NCONF_IN 0 + +Energy-term weights (unscaled): + +WSCC= 1.352790 (SC-SC) +WSCP= 1.593040 (SC-p) +WELEC= 0.715340 (p-p electr) +WVDWPP= 0.113710 (p-p VDW) +WBOND= 1.000000 (stretching) +WANG= 1.138730 (bending) +WSCLOC= 0.162580 (SC local) +WTOR= 1.985990 (torsional) +WTORD= 1.570690 (double torsional) +WSTRAIN= 1.000000 (SS bridges & dist. cnstr.) +WEL_LOC= 0.160360 (multi-body 3-rd order) +WCORR4= 0.428870 (multi-body 4th order) +WCORR5= 0.000000 (multi-body 5th order) +WCORR6= 0.000000 (multi-body 6th order) +WSCCOR= 0.000000 (back-scloc correlation) +WTURN3= 1.687220 (turns, 3rd order) +WTURN4= 0.662300 (turns, 4th order) +WTURN6= 0.000000 (turns, 6th order) +WDFA_D= 0.000000 (DFA, distance) +WDFA_T= 0.000000 (DFA, torsional) +WDFA_N= 0.000000 (DFA, number of neighbor) +WDFA_B= 0.000000 (DFA, beta formation) + +Hydrogen-bonding correlation between contact pairs of peptide groups + +Scaling factor of 1,4 SC-p interactions: 0.400 +General scaling factor of SC-p interactions: 1.000 + +Energy-term weights (scaled): + +WSCC= 1.352790 (SC-SC) +WSCP= 1.593040 (SC-p) +WELEC= 0.715340 (p-p electr) +WVDWPP= 0.113710 (p-p VDW) +WBOND= 1.000000 (stretching) +WANG= 1.138730 (bending) +WSCLOC= 0.162580 (SC local) +WTOR= 1.985990 (torsional) +WTORD= 1.570690 (double torsional) +WSTRAIN= 1.000000 (SS bridges & dist. cnstr.) +WEL_LOC= 0.160360 (multi-body 3-rd order) +WCORR4= 0.428870 (multi-body 4th order) +WCORR5= 0.000000 (multi-body 5th order) +WCORR6= 0.000000 (multi-body 6th order) +WSCCOR= 0.000000 (back-scloc correlatkion) +WTURN3= 1.687220 (turns, 3rd order) +WTURN4= 0.662300 (turns, 4th order) +WTURN6= 0.000000 (turns, 6th order) +WDFA_D= 0.000000 (DFA, distance) +WDFA_T= 0.000000 (DFA, torsional) +WDFA_N= 0.000000 (DFA, number of neighbor) +WDFA_B= 0.000000 (DFA, beta formation) + Reference temperature for weights calculation: 300.000000000000 + Parameters of the SS-bond potential: + D0CM 3.78000000000000 AKCM 15.1000000000000 AKTH + 11.0000000000000 AKCT 12.0000000000000 + V1SS -1.08000000000000 V2SS 7.61000000000000 V3SS + 13.7000000000000 + EBR -5.50000000000000 + ITEL + 1 21 0 + 2 14 1 + 3 5 1 + 4 8 1 + 5 4 1 + 6 13 1 + 7 7 1 + 8 5 1 + 9 19 1 + 10 16 1 + 11 10 1 + 12 10 2 + 13 20 1 + 14 12 1 + 15 12 1 + 16 10 1 + 17 18 2 + 18 20 2 + 19 20 2 + 20 20 1 + 21 12 0 + ns= 0 iss: + NZ_START= 2 NZ_END= 21 + IZ_SC= 0 + +Geometry of the virtual chain. + Res d Theta Gamma Dsc Alpha Beta +D 1 0.000 0.000 0.000 0.000 0.000 0.000 +ASN 2 3.800 0.000 0.000 1.684 0.000 0.000 +LEU 3 3.800 0.000 0.000 1.939 0.000 0.000 +TYR 4 3.800 0.000 0.000 2.484 0.000 0.000 +ILE 5 3.800 0.000 0.000 1.776 0.000 0.000 +GLN 6 3.800 0.000 0.000 2.240 0.000 0.000 +TRP 7 3.800 0.000 0.000 2.605 0.000 0.000 +LEU 8 3.800 0.000 0.000 1.939 0.000 0.000 +LYS 9 3.800 0.000 0.000 2.541 0.000 0.000 +ASP 10 3.800 0.000 0.000 1.709 0.000 0.000 +GLY 11 3.800 0.000 0.000 0.000 0.000 0.000 +GLY 12 3.800 0.000 0.000 0.000 0.000 0.000 +PRO 13 3.800 0.000 0.000 1.345 0.000 0.000 +SER 14 3.800 0.000 0.000 1.150 0.000 0.000 +SER 15 3.800 0.000 0.000 1.150 0.000 0.000 +GLY 16 3.800 0.000 0.000 0.000 0.000 0.000 +ARG 17 3.800 0.000 0.000 3.020 0.000 0.000 +PRO 18 3.800 0.000 0.000 1.345 0.000 0.000 +PRO 19 3.800 0.000 0.000 1.345 0.000 0.000 +PRO 20 3.800 0.000 0.000 1.345 0.000 0.000 +SER 21 3.800 0.000 0.000 1.150 0.000 0.000 +D 22 3.800 0.000 0.000 0.000 0.000 0.000 + + +******************************************************************************** + Processor 11: end reading molecular data. +******************************************************************************** + + +CSA calculations calculation. + +Conformations will be energy-minimized. +******************************************************************************** + +Waiting for 0.4492 sec +Waiting for 0.9883 sec +Waiting for 0.0273 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0508 sec +Waiting for 0.0000 sec + Finishing minim_jlee - signal 0 from master +Waiting for 0.6797 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0508 sec +Waiting for 0.0078 sec +Waiting for 0.5000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.4688 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3281 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.4844 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2656 sec +Waiting for 0.0156 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 1.0625 sec +Waiting for 0.0312 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3555 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3398 sec +Waiting for 0.0156 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.7422 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 1.4062 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0547 sec +Waiting for 0.0000 sec +Waiting for 0.0781 sec +Waiting for 0.0000 sec +Waiting for 0.3516 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3203 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.4609 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2461 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2812 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2422 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3086 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3359 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3008 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.5195 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.3438 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3555 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0078 sec +Waiting for 0.0000 sec +Waiting for 0.3672 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.4531 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 1.1680 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.3320 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3867 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3164 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3477 sec +Waiting for 0.0000 sec +Waiting for 0.0312 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3047 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3281 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3633 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3555 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.2930 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3281 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3203 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3047 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2500 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2617 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0078 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3242 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3164 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.2812 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.3555 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 1.0195 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3516 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.5078 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3320 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3281 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3516 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.9883 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3672 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0039 sec +Waiting for 0.3320 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3125 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.4023 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2578 sec + Finishing minim_jlee - signal 0 from master + End of minim, proc 11 time 67.8125000000000 +CG processor 11 is finishing work. + Total wall clock time 74.3710937500000 sec diff --git a/examples/unres/CSA/GAB/CSA/local/1l2y_csa.out_GB012 b/examples/unres/CSA/GAB/CSA/local/1l2y_csa.out_GB012 new file mode 100644 index 0000000..f6f070d --- /dev/null +++ b/examples/unres/CSA/GAB/CSA/local/1l2y_csa.out_GB012 @@ -0,0 +1,563 @@ +******************************************************************************** +United-residue force field calculation - parallel job. +******************************************************************************** + MPI: node= 12 iseed= -39776658 + ran_num 0.558781067566751 +RMSDBC = 3.0 +RMSDBC1 = 0.5 +RMSDBC1MAX = 1.5 +DRMS = 0.1 +RMSDBCM = 3.0 +Time limit (min): 960.0 + RESCALE_MODE 0 +Library routine used to diagonalize matrices. + +******************************************************************************** + Options in energy minimization: +******************************************************************************** +MaxMin: 3000 MaxFun: 1000MinMin: 3000 MinFun: 3000 TolF: 1.00000E-02 RTolF: 1.00000E-04 + NCONF_IN 0 + +Energy-term weights (unscaled): + +WSCC= 1.352790 (SC-SC) +WSCP= 1.593040 (SC-p) +WELEC= 0.715340 (p-p electr) +WVDWPP= 0.113710 (p-p VDW) +WBOND= 1.000000 (stretching) +WANG= 1.138730 (bending) +WSCLOC= 0.162580 (SC local) +WTOR= 1.985990 (torsional) +WTORD= 1.570690 (double torsional) +WSTRAIN= 1.000000 (SS bridges & dist. cnstr.) +WEL_LOC= 0.160360 (multi-body 3-rd order) +WCORR4= 0.428870 (multi-body 4th order) +WCORR5= 0.000000 (multi-body 5th order) +WCORR6= 0.000000 (multi-body 6th order) +WSCCOR= 0.000000 (back-scloc correlation) +WTURN3= 1.687220 (turns, 3rd order) +WTURN4= 0.662300 (turns, 4th order) +WTURN6= 0.000000 (turns, 6th order) +WDFA_D= 0.000000 (DFA, distance) +WDFA_T= 0.000000 (DFA, torsional) +WDFA_N= 0.000000 (DFA, number of neighbor) +WDFA_B= 0.000000 (DFA, beta formation) + +Hydrogen-bonding correlation between contact pairs of peptide groups + +Scaling factor of 1,4 SC-p interactions: 0.400 +General scaling factor of SC-p interactions: 1.000 + +Energy-term weights (scaled): + +WSCC= 1.352790 (SC-SC) +WSCP= 1.593040 (SC-p) +WELEC= 0.715340 (p-p electr) +WVDWPP= 0.113710 (p-p VDW) +WBOND= 1.000000 (stretching) +WANG= 1.138730 (bending) +WSCLOC= 0.162580 (SC local) +WTOR= 1.985990 (torsional) +WTORD= 1.570690 (double torsional) +WSTRAIN= 1.000000 (SS bridges & dist. cnstr.) +WEL_LOC= 0.160360 (multi-body 3-rd order) +WCORR4= 0.428870 (multi-body 4th order) +WCORR5= 0.000000 (multi-body 5th order) +WCORR6= 0.000000 (multi-body 6th order) +WSCCOR= 0.000000 (back-scloc correlatkion) +WTURN3= 1.687220 (turns, 3rd order) +WTURN4= 0.662300 (turns, 4th order) +WTURN6= 0.000000 (turns, 6th order) +WDFA_D= 0.000000 (DFA, distance) +WDFA_T= 0.000000 (DFA, torsional) +WDFA_N= 0.000000 (DFA, number of neighbor) +WDFA_B= 0.000000 (DFA, beta formation) + Reference temperature for weights calculation: 300.000000000000 + Parameters of the SS-bond potential: + D0CM 3.78000000000000 AKCM 15.1000000000000 AKTH + 11.0000000000000 AKCT 12.0000000000000 + V1SS -1.08000000000000 V2SS 7.61000000000000 V3SS + 13.7000000000000 + EBR -5.50000000000000 + ITEL + 1 21 0 + 2 14 1 + 3 5 1 + 4 8 1 + 5 4 1 + 6 13 1 + 7 7 1 + 8 5 1 + 9 19 1 + 10 16 1 + 11 10 1 + 12 10 2 + 13 20 1 + 14 12 1 + 15 12 1 + 16 10 1 + 17 18 2 + 18 20 2 + 19 20 2 + 20 20 1 + 21 12 0 + ns= 0 iss: + NZ_START= 2 NZ_END= 21 + IZ_SC= 0 + +Geometry of the virtual chain. + Res d Theta Gamma Dsc Alpha Beta +D 1 0.000 0.000 0.000 0.000 0.000 0.000 +ASN 2 3.800 0.000 0.000 1.684 0.000 0.000 +LEU 3 3.800 0.000 0.000 1.939 0.000 0.000 +TYR 4 3.800 0.000 0.000 2.484 0.000 0.000 +ILE 5 3.800 0.000 0.000 1.776 0.000 0.000 +GLN 6 3.800 0.000 0.000 2.240 0.000 0.000 +TRP 7 3.800 0.000 0.000 2.605 0.000 0.000 +LEU 8 3.800 0.000 0.000 1.939 0.000 0.000 +LYS 9 3.800 0.000 0.000 2.541 0.000 0.000 +ASP 10 3.800 0.000 0.000 1.709 0.000 0.000 +GLY 11 3.800 0.000 0.000 0.000 0.000 0.000 +GLY 12 3.800 0.000 0.000 0.000 0.000 0.000 +PRO 13 3.800 0.000 0.000 1.345 0.000 0.000 +SER 14 3.800 0.000 0.000 1.150 0.000 0.000 +SER 15 3.800 0.000 0.000 1.150 0.000 0.000 +GLY 16 3.800 0.000 0.000 0.000 0.000 0.000 +ARG 17 3.800 0.000 0.000 3.020 0.000 0.000 +PRO 18 3.800 0.000 0.000 1.345 0.000 0.000 +PRO 19 3.800 0.000 0.000 1.345 0.000 0.000 +PRO 20 3.800 0.000 0.000 1.345 0.000 0.000 +SER 21 3.800 0.000 0.000 1.150 0.000 0.000 +D 22 3.800 0.000 0.000 0.000 0.000 0.000 + + +******************************************************************************** + Processor 12: end reading molecular data. +******************************************************************************** + + +CSA calculations calculation. + +Conformations will be energy-minimized. +******************************************************************************** + +Waiting for 0.4453 sec +Waiting for 0.9492 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0547 sec +Waiting for 0.0000 sec + Finishing minim_jlee - signal 0 from master +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.5195 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2617 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.4570 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3281 sec +Waiting for 0.0430 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 1.0078 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2227 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3359 sec +Waiting for 0.0273 sec +Waiting for 0.0078 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.7539 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 1.4062 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0469 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3398 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.1914 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0547 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.4531 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.2461 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.2656 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2773 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2891 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3047 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3398 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.5938 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3594 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3242 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3828 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.4570 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 1.0781 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3359 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3711 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3242 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2695 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.2109 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.5234 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3945 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2891 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3516 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3359 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.3477 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3438 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2617 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3203 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2773 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3359 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3008 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3906 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.9023 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2695 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.5234 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3320 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.4062 sec +Waiting for 0.0039 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2891 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 1.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3203 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3633 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3008 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.3438 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3008 sec + Finishing minim_jlee - signal 0 from master + End of minim, proc 12 time 64.7500000000000 +CG processor 12 is finishing work. + Total wall clock time 74.3710937500000 sec diff --git a/examples/unres/CSA/GAB/CSA/local/1l2y_csa.out_GB013 b/examples/unres/CSA/GAB/CSA/local/1l2y_csa.out_GB013 new file mode 100644 index 0000000..959c63d --- /dev/null +++ b/examples/unres/CSA/GAB/CSA/local/1l2y_csa.out_GB013 @@ -0,0 +1,557 @@ +******************************************************************************** +United-residue force field calculation - parallel job. +******************************************************************************** + MPI: node= 13 iseed= -42836401 + ran_num 0.832533313419530 +RMSDBC = 3.0 +RMSDBC1 = 0.5 +RMSDBC1MAX = 1.5 +DRMS = 0.1 +RMSDBCM = 3.0 +Time limit (min): 960.0 + RESCALE_MODE 0 +Library routine used to diagonalize matrices. + +******************************************************************************** + Options in energy minimization: +******************************************************************************** +MaxMin: 3000 MaxFun: 1000MinMin: 3000 MinFun: 3000 TolF: 1.00000E-02 RTolF: 1.00000E-04 + NCONF_IN 0 + +Energy-term weights (unscaled): + +WSCC= 1.352790 (SC-SC) +WSCP= 1.593040 (SC-p) +WELEC= 0.715340 (p-p electr) +WVDWPP= 0.113710 (p-p VDW) +WBOND= 1.000000 (stretching) +WANG= 1.138730 (bending) +WSCLOC= 0.162580 (SC local) +WTOR= 1.985990 (torsional) +WTORD= 1.570690 (double torsional) +WSTRAIN= 1.000000 (SS bridges & dist. cnstr.) +WEL_LOC= 0.160360 (multi-body 3-rd order) +WCORR4= 0.428870 (multi-body 4th order) +WCORR5= 0.000000 (multi-body 5th order) +WCORR6= 0.000000 (multi-body 6th order) +WSCCOR= 0.000000 (back-scloc correlation) +WTURN3= 1.687220 (turns, 3rd order) +WTURN4= 0.662300 (turns, 4th order) +WTURN6= 0.000000 (turns, 6th order) +WDFA_D= 0.000000 (DFA, distance) +WDFA_T= 0.000000 (DFA, torsional) +WDFA_N= 0.000000 (DFA, number of neighbor) +WDFA_B= 0.000000 (DFA, beta formation) + +Hydrogen-bonding correlation between contact pairs of peptide groups + +Scaling factor of 1,4 SC-p interactions: 0.400 +General scaling factor of SC-p interactions: 1.000 + +Energy-term weights (scaled): + +WSCC= 1.352790 (SC-SC) +WSCP= 1.593040 (SC-p) +WELEC= 0.715340 (p-p electr) +WVDWPP= 0.113710 (p-p VDW) +WBOND= 1.000000 (stretching) +WANG= 1.138730 (bending) +WSCLOC= 0.162580 (SC local) +WTOR= 1.985990 (torsional) +WTORD= 1.570690 (double torsional) +WSTRAIN= 1.000000 (SS bridges & dist. cnstr.) +WEL_LOC= 0.160360 (multi-body 3-rd order) +WCORR4= 0.428870 (multi-body 4th order) +WCORR5= 0.000000 (multi-body 5th order) +WCORR6= 0.000000 (multi-body 6th order) +WSCCOR= 0.000000 (back-scloc correlatkion) +WTURN3= 1.687220 (turns, 3rd order) +WTURN4= 0.662300 (turns, 4th order) +WTURN6= 0.000000 (turns, 6th order) +WDFA_D= 0.000000 (DFA, distance) +WDFA_T= 0.000000 (DFA, torsional) +WDFA_N= 0.000000 (DFA, number of neighbor) +WDFA_B= 0.000000 (DFA, beta formation) + Reference temperature for weights calculation: 300.000000000000 + Parameters of the SS-bond potential: + D0CM 3.78000000000000 AKCM 15.1000000000000 AKTH + 11.0000000000000 AKCT 12.0000000000000 + V1SS -1.08000000000000 V2SS 7.61000000000000 V3SS + 13.7000000000000 + EBR -5.50000000000000 + ITEL + 1 21 0 + 2 14 1 + 3 5 1 + 4 8 1 + 5 4 1 + 6 13 1 + 7 7 1 + 8 5 1 + 9 19 1 + 10 16 1 + 11 10 1 + 12 10 2 + 13 20 1 + 14 12 1 + 15 12 1 + 16 10 1 + 17 18 2 + 18 20 2 + 19 20 2 + 20 20 1 + 21 12 0 + ns= 0 iss: + NZ_START= 2 NZ_END= 21 + IZ_SC= 0 + +Geometry of the virtual chain. + Res d Theta Gamma Dsc Alpha Beta +D 1 0.000 0.000 0.000 0.000 0.000 0.000 +ASN 2 3.800 0.000 0.000 1.684 0.000 0.000 +LEU 3 3.800 0.000 0.000 1.939 0.000 0.000 +TYR 4 3.800 0.000 0.000 2.484 0.000 0.000 +ILE 5 3.800 0.000 0.000 1.776 0.000 0.000 +GLN 6 3.800 0.000 0.000 2.240 0.000 0.000 +TRP 7 3.800 0.000 0.000 2.605 0.000 0.000 +LEU 8 3.800 0.000 0.000 1.939 0.000 0.000 +LYS 9 3.800 0.000 0.000 2.541 0.000 0.000 +ASP 10 3.800 0.000 0.000 1.709 0.000 0.000 +GLY 11 3.800 0.000 0.000 0.000 0.000 0.000 +GLY 12 3.800 0.000 0.000 0.000 0.000 0.000 +PRO 13 3.800 0.000 0.000 1.345 0.000 0.000 +SER 14 3.800 0.000 0.000 1.150 0.000 0.000 +SER 15 3.800 0.000 0.000 1.150 0.000 0.000 +GLY 16 3.800 0.000 0.000 0.000 0.000 0.000 +ARG 17 3.800 0.000 0.000 3.020 0.000 0.000 +PRO 18 3.800 0.000 0.000 1.345 0.000 0.000 +PRO 19 3.800 0.000 0.000 1.345 0.000 0.000 +PRO 20 3.800 0.000 0.000 1.345 0.000 0.000 +SER 21 3.800 0.000 0.000 1.150 0.000 0.000 +D 22 3.800 0.000 0.000 0.000 0.000 0.000 + + +******************************************************************************** + Processor 13: end reading molecular data. +******************************************************************************** + + +CSA calculations calculation. + +Conformations will be energy-minimized. +******************************************************************************** + +Waiting for 0.4453 sec +Waiting for 0.9141 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0156 sec +Waiting for 0.0000 sec + Finishing minim_jlee - signal 0 from master +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.5195 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.3516 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0078 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.4180 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3125 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 1.0781 sec +Waiting for 0.0078 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0352 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0586 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.3398 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3438 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.7344 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 1.3320 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0352 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0625 sec +Waiting for 0.0000 sec +Waiting for 0.3516 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3008 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.5117 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.1602 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3008 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3125 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2891 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2734 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3281 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.6016 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3672 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3555 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.3555 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.4492 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 1.1602 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2578 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.3750 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.2812 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3242 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.2695 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.4023 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.4141 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.3750 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3789 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3594 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3086 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3359 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2734 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3047 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3281 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3047 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.1875 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3672 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 1.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3867 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.4727 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3594 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0195 sec +Waiting for 0.4219 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3438 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.9766 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.3516 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3672 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3281 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.3711 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3633 sec + Finishing minim_jlee - signal 0 from master + End of minim, proc 13 time 64.7500000000000 +CG processor 13 is finishing work. + Total wall clock time 74.3671875000000 sec diff --git a/examples/unres/CSA/GAB/CSA/local/1l2y_csa.out_GB014 b/examples/unres/CSA/GAB/CSA/local/1l2y_csa.out_GB014 new file mode 100644 index 0000000..29d4367 --- /dev/null +++ b/examples/unres/CSA/GAB/CSA/local/1l2y_csa.out_GB014 @@ -0,0 +1,564 @@ +******************************************************************************** +United-residue force field calculation - parallel job. +******************************************************************************** + MPI: node= 14 iseed= -45896144 + ran_num 0.106285559272310 +RMSDBC = 3.0 +RMSDBC1 = 0.5 +RMSDBC1MAX = 1.5 +DRMS = 0.1 +RMSDBCM = 3.0 +Time limit (min): 960.0 + RESCALE_MODE 0 +Library routine used to diagonalize matrices. + +******************************************************************************** + Options in energy minimization: +******************************************************************************** +MaxMin: 3000 MaxFun: 1000MinMin: 3000 MinFun: 3000 TolF: 1.00000E-02 RTolF: 1.00000E-04 + NCONF_IN 0 + +Energy-term weights (unscaled): + +WSCC= 1.352790 (SC-SC) +WSCP= 1.593040 (SC-p) +WELEC= 0.715340 (p-p electr) +WVDWPP= 0.113710 (p-p VDW) +WBOND= 1.000000 (stretching) +WANG= 1.138730 (bending) +WSCLOC= 0.162580 (SC local) +WTOR= 1.985990 (torsional) +WTORD= 1.570690 (double torsional) +WSTRAIN= 1.000000 (SS bridges & dist. cnstr.) +WEL_LOC= 0.160360 (multi-body 3-rd order) +WCORR4= 0.428870 (multi-body 4th order) +WCORR5= 0.000000 (multi-body 5th order) +WCORR6= 0.000000 (multi-body 6th order) +WSCCOR= 0.000000 (back-scloc correlation) +WTURN3= 1.687220 (turns, 3rd order) +WTURN4= 0.662300 (turns, 4th order) +WTURN6= 0.000000 (turns, 6th order) +WDFA_D= 0.000000 (DFA, distance) +WDFA_T= 0.000000 (DFA, torsional) +WDFA_N= 0.000000 (DFA, number of neighbor) +WDFA_B= 0.000000 (DFA, beta formation) + +Hydrogen-bonding correlation between contact pairs of peptide groups + +Scaling factor of 1,4 SC-p interactions: 0.400 +General scaling factor of SC-p interactions: 1.000 + +Energy-term weights (scaled): + +WSCC= 1.352790 (SC-SC) +WSCP= 1.593040 (SC-p) +WELEC= 0.715340 (p-p electr) +WVDWPP= 0.113710 (p-p VDW) +WBOND= 1.000000 (stretching) +WANG= 1.138730 (bending) +WSCLOC= 0.162580 (SC local) +WTOR= 1.985990 (torsional) +WTORD= 1.570690 (double torsional) +WSTRAIN= 1.000000 (SS bridges & dist. cnstr.) +WEL_LOC= 0.160360 (multi-body 3-rd order) +WCORR4= 0.428870 (multi-body 4th order) +WCORR5= 0.000000 (multi-body 5th order) +WCORR6= 0.000000 (multi-body 6th order) +WSCCOR= 0.000000 (back-scloc correlatkion) +WTURN3= 1.687220 (turns, 3rd order) +WTURN4= 0.662300 (turns, 4th order) +WTURN6= 0.000000 (turns, 6th order) +WDFA_D= 0.000000 (DFA, distance) +WDFA_T= 0.000000 (DFA, torsional) +WDFA_N= 0.000000 (DFA, number of neighbor) +WDFA_B= 0.000000 (DFA, beta formation) + Reference temperature for weights calculation: 300.000000000000 + Parameters of the SS-bond potential: + D0CM 3.78000000000000 AKCM 15.1000000000000 AKTH + 11.0000000000000 AKCT 12.0000000000000 + V1SS -1.08000000000000 V2SS 7.61000000000000 V3SS + 13.7000000000000 + EBR -5.50000000000000 + ITEL + 1 21 0 + 2 14 1 + 3 5 1 + 4 8 1 + 5 4 1 + 6 13 1 + 7 7 1 + 8 5 1 + 9 19 1 + 10 16 1 + 11 10 1 + 12 10 2 + 13 20 1 + 14 12 1 + 15 12 1 + 16 10 1 + 17 18 2 + 18 20 2 + 19 20 2 + 20 20 1 + 21 12 0 + ns= 0 iss: + NZ_START= 2 NZ_END= 21 + IZ_SC= 0 + +Geometry of the virtual chain. + Res d Theta Gamma Dsc Alpha Beta +D 1 0.000 0.000 0.000 0.000 0.000 0.000 +ASN 2 3.800 0.000 0.000 1.684 0.000 0.000 +LEU 3 3.800 0.000 0.000 1.939 0.000 0.000 +TYR 4 3.800 0.000 0.000 2.484 0.000 0.000 +ILE 5 3.800 0.000 0.000 1.776 0.000 0.000 +GLN 6 3.800 0.000 0.000 2.240 0.000 0.000 +TRP 7 3.800 0.000 0.000 2.605 0.000 0.000 +LEU 8 3.800 0.000 0.000 1.939 0.000 0.000 +LYS 9 3.800 0.000 0.000 2.541 0.000 0.000 +ASP 10 3.800 0.000 0.000 1.709 0.000 0.000 +GLY 11 3.800 0.000 0.000 0.000 0.000 0.000 +GLY 12 3.800 0.000 0.000 0.000 0.000 0.000 +PRO 13 3.800 0.000 0.000 1.345 0.000 0.000 +SER 14 3.800 0.000 0.000 1.150 0.000 0.000 +SER 15 3.800 0.000 0.000 1.150 0.000 0.000 +GLY 16 3.800 0.000 0.000 0.000 0.000 0.000 +ARG 17 3.800 0.000 0.000 3.020 0.000 0.000 +PRO 18 3.800 0.000 0.000 1.345 0.000 0.000 +PRO 19 3.800 0.000 0.000 1.345 0.000 0.000 +PRO 20 3.800 0.000 0.000 1.345 0.000 0.000 +SER 21 3.800 0.000 0.000 1.150 0.000 0.000 +D 22 3.800 0.000 0.000 0.000 0.000 0.000 + + +******************************************************************************** + Processor 14: end reading molecular data. +******************************************************************************** + + +CSA calculations calculation. + +Conformations will be energy-minimized. +******************************************************************************** + +Waiting for 0.4453 sec +Waiting for 0.9609 sec +Waiting for 0.0703 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0117 sec +Waiting for 0.0000 sec + Finishing minim_jlee - signal 0 from master +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.4219 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3398 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.4883 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2305 sec +Waiting for 0.0469 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 1.1094 sec +Waiting for 0.0000 sec +Waiting for 0.0117 sec +Waiting for 0.0000 sec +Waiting for 0.0781 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3242 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.3477 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.7461 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 1.4258 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0312 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3320 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2500 sec +Waiting for 0.0000 sec +Waiting for 0.0391 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.4688 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3164 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3125 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2305 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3203 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2227 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.2969 sec +Waiting for 0.0117 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.5508 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3281 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3359 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3867 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.4570 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 1.1523 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2617 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3867 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2852 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3633 sec +Waiting for 0.0000 sec +Waiting for 0.0312 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3164 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.4844 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3711 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3828 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0352 sec +Waiting for 0.0000 sec +Waiting for 0.3164 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.3398 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3867 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3477 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2773 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2891 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.3359 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3594 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2500 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3945 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 1.0273 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.3516 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.5234 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3516 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0430 sec +Waiting for 0.4219 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3359 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.9922 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3281 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.3398 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3008 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3828 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.2773 sec + Finishing minim_jlee - signal 0 from master + End of minim, proc 14 time 64.8359375000000 +CG processor 14 is finishing work. + Total wall clock time 74.3710937500000 sec diff --git a/examples/unres/CSA/GAB/CSA/local/1l2y_csa.out_GB015 b/examples/unres/CSA/GAB/CSA/local/1l2y_csa.out_GB015 new file mode 100644 index 0000000..9cb1d33 --- /dev/null +++ b/examples/unres/CSA/GAB/CSA/local/1l2y_csa.out_GB015 @@ -0,0 +1,569 @@ +******************************************************************************** +United-residue force field calculation - parallel job. +******************************************************************************** + MPI: node= 15 iseed= -48955887 + ran_num 0.380037805125089 +RMSDBC = 3.0 +RMSDBC1 = 0.5 +RMSDBC1MAX = 1.5 +DRMS = 0.1 +RMSDBCM = 3.0 +Time limit (min): 960.0 + RESCALE_MODE 0 +Library routine used to diagonalize matrices. + +******************************************************************************** + Options in energy minimization: +******************************************************************************** +MaxMin: 3000 MaxFun: 1000MinMin: 3000 MinFun: 3000 TolF: 1.00000E-02 RTolF: 1.00000E-04 + NCONF_IN 0 + +Energy-term weights (unscaled): + +WSCC= 1.352790 (SC-SC) +WSCP= 1.593040 (SC-p) +WELEC= 0.715340 (p-p electr) +WVDWPP= 0.113710 (p-p VDW) +WBOND= 1.000000 (stretching) +WANG= 1.138730 (bending) +WSCLOC= 0.162580 (SC local) +WTOR= 1.985990 (torsional) +WTORD= 1.570690 (double torsional) +WSTRAIN= 1.000000 (SS bridges & dist. cnstr.) +WEL_LOC= 0.160360 (multi-body 3-rd order) +WCORR4= 0.428870 (multi-body 4th order) +WCORR5= 0.000000 (multi-body 5th order) +WCORR6= 0.000000 (multi-body 6th order) +WSCCOR= 0.000000 (back-scloc correlation) +WTURN3= 1.687220 (turns, 3rd order) +WTURN4= 0.662300 (turns, 4th order) +WTURN6= 0.000000 (turns, 6th order) +WDFA_D= 0.000000 (DFA, distance) +WDFA_T= 0.000000 (DFA, torsional) +WDFA_N= 0.000000 (DFA, number of neighbor) +WDFA_B= 0.000000 (DFA, beta formation) + +Hydrogen-bonding correlation between contact pairs of peptide groups + +Scaling factor of 1,4 SC-p interactions: 0.400 +General scaling factor of SC-p interactions: 1.000 + +Energy-term weights (scaled): + +WSCC= 1.352790 (SC-SC) +WSCP= 1.593040 (SC-p) +WELEC= 0.715340 (p-p electr) +WVDWPP= 0.113710 (p-p VDW) +WBOND= 1.000000 (stretching) +WANG= 1.138730 (bending) +WSCLOC= 0.162580 (SC local) +WTOR= 1.985990 (torsional) +WTORD= 1.570690 (double torsional) +WSTRAIN= 1.000000 (SS bridges & dist. cnstr.) +WEL_LOC= 0.160360 (multi-body 3-rd order) +WCORR4= 0.428870 (multi-body 4th order) +WCORR5= 0.000000 (multi-body 5th order) +WCORR6= 0.000000 (multi-body 6th order) +WSCCOR= 0.000000 (back-scloc correlatkion) +WTURN3= 1.687220 (turns, 3rd order) +WTURN4= 0.662300 (turns, 4th order) +WTURN6= 0.000000 (turns, 6th order) +WDFA_D= 0.000000 (DFA, distance) +WDFA_T= 0.000000 (DFA, torsional) +WDFA_N= 0.000000 (DFA, number of neighbor) +WDFA_B= 0.000000 (DFA, beta formation) + Reference temperature for weights calculation: 300.000000000000 + Parameters of the SS-bond potential: + D0CM 3.78000000000000 AKCM 15.1000000000000 AKTH + 11.0000000000000 AKCT 12.0000000000000 + V1SS -1.08000000000000 V2SS 7.61000000000000 V3SS + 13.7000000000000 + EBR -5.50000000000000 + ITEL + 1 21 0 + 2 14 1 + 3 5 1 + 4 8 1 + 5 4 1 + 6 13 1 + 7 7 1 + 8 5 1 + 9 19 1 + 10 16 1 + 11 10 1 + 12 10 2 + 13 20 1 + 14 12 1 + 15 12 1 + 16 10 1 + 17 18 2 + 18 20 2 + 19 20 2 + 20 20 1 + 21 12 0 + ns= 0 iss: + NZ_START= 2 NZ_END= 21 + IZ_SC= 0 + +Geometry of the virtual chain. + Res d Theta Gamma Dsc Alpha Beta +D 1 0.000 0.000 0.000 0.000 0.000 0.000 +ASN 2 3.800 0.000 0.000 1.684 0.000 0.000 +LEU 3 3.800 0.000 0.000 1.939 0.000 0.000 +TYR 4 3.800 0.000 0.000 2.484 0.000 0.000 +ILE 5 3.800 0.000 0.000 1.776 0.000 0.000 +GLN 6 3.800 0.000 0.000 2.240 0.000 0.000 +TRP 7 3.800 0.000 0.000 2.605 0.000 0.000 +LEU 8 3.800 0.000 0.000 1.939 0.000 0.000 +LYS 9 3.800 0.000 0.000 2.541 0.000 0.000 +ASP 10 3.800 0.000 0.000 1.709 0.000 0.000 +GLY 11 3.800 0.000 0.000 0.000 0.000 0.000 +GLY 12 3.800 0.000 0.000 0.000 0.000 0.000 +PRO 13 3.800 0.000 0.000 1.345 0.000 0.000 +SER 14 3.800 0.000 0.000 1.150 0.000 0.000 +SER 15 3.800 0.000 0.000 1.150 0.000 0.000 +GLY 16 3.800 0.000 0.000 0.000 0.000 0.000 +ARG 17 3.800 0.000 0.000 3.020 0.000 0.000 +PRO 18 3.800 0.000 0.000 1.345 0.000 0.000 +PRO 19 3.800 0.000 0.000 1.345 0.000 0.000 +PRO 20 3.800 0.000 0.000 1.345 0.000 0.000 +SER 21 3.800 0.000 0.000 1.150 0.000 0.000 +D 22 3.800 0.000 0.000 0.000 0.000 0.000 + + +******************************************************************************** + Processor 15: end reading molecular data. +******************************************************************************** + + +CSA calculations calculation. + +Conformations will be energy-minimized. +******************************************************************************** + +Waiting for 0.4453 sec +Waiting for 0.9609 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec + Finishing minim_jlee - signal 0 from master +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.4883 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3516 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.4922 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3164 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0156 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 1.0703 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0273 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3516 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3320 sec +Waiting for 0.0352 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.7656 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 1.4102 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0820 sec +Waiting for 0.0469 sec +Waiting for 0.3242 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3477 sec +Waiting for 0.0000 sec +Waiting for 0.0352 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.4922 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2852 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3281 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2422 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.3164 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2812 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2930 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.5820 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3320 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2383 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3594 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.4609 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 1.1328 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3125 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3984 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2305 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3477 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3008 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.5156 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3984 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.3711 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3477 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0078 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3672 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3750 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2969 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2305 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3594 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2656 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2734 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.1523 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3867 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 1.0273 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3711 sec +Waiting for 0.0039 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.4102 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3633 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0508 sec +Waiting for 0.4023 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3438 sec +Waiting for 0.0039 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.9336 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.3164 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3633 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.3125 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.3672 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.3633 sec + Finishing minim_jlee - signal 0 from master + End of minim, proc 15 time 64.8554687500000 +CG processor 15 is finishing work. + Total wall clock time 74.3671875000000 sec diff --git a/examples/unres/CSA/GAB/CSA/local/1l2y_csa.out_GB016 b/examples/unres/CSA/GAB/CSA/local/1l2y_csa.out_GB016 new file mode 100644 index 0000000..e82cba1 --- /dev/null +++ b/examples/unres/CSA/GAB/CSA/local/1l2y_csa.out_GB016 @@ -0,0 +1,579 @@ +******************************************************************************** +United-residue force field calculation - parallel job. +******************************************************************************** + MPI: node= 16 iseed= -52015630 + ran_num 0.653790050977869 +RMSDBC = 3.0 +RMSDBC1 = 0.5 +RMSDBC1MAX = 1.5 +DRMS = 0.1 +RMSDBCM = 3.0 +Time limit (min): 960.0 + RESCALE_MODE 0 +Library routine used to diagonalize matrices. + +******************************************************************************** + Options in energy minimization: +******************************************************************************** +MaxMin: 3000 MaxFun: 1000MinMin: 3000 MinFun: 3000 TolF: 1.00000E-02 RTolF: 1.00000E-04 + NCONF_IN 0 + +Energy-term weights (unscaled): + +WSCC= 1.352790 (SC-SC) +WSCP= 1.593040 (SC-p) +WELEC= 0.715340 (p-p electr) +WVDWPP= 0.113710 (p-p VDW) +WBOND= 1.000000 (stretching) +WANG= 1.138730 (bending) +WSCLOC= 0.162580 (SC local) +WTOR= 1.985990 (torsional) +WTORD= 1.570690 (double torsional) +WSTRAIN= 1.000000 (SS bridges & dist. cnstr.) +WEL_LOC= 0.160360 (multi-body 3-rd order) +WCORR4= 0.428870 (multi-body 4th order) +WCORR5= 0.000000 (multi-body 5th order) +WCORR6= 0.000000 (multi-body 6th order) +WSCCOR= 0.000000 (back-scloc correlation) +WTURN3= 1.687220 (turns, 3rd order) +WTURN4= 0.662300 (turns, 4th order) +WTURN6= 0.000000 (turns, 6th order) +WDFA_D= 0.000000 (DFA, distance) +WDFA_T= 0.000000 (DFA, torsional) +WDFA_N= 0.000000 (DFA, number of neighbor) +WDFA_B= 0.000000 (DFA, beta formation) + +Hydrogen-bonding correlation between contact pairs of peptide groups + +Scaling factor of 1,4 SC-p interactions: 0.400 +General scaling factor of SC-p interactions: 1.000 + +Energy-term weights (scaled): + +WSCC= 1.352790 (SC-SC) +WSCP= 1.593040 (SC-p) +WELEC= 0.715340 (p-p electr) +WVDWPP= 0.113710 (p-p VDW) +WBOND= 1.000000 (stretching) +WANG= 1.138730 (bending) +WSCLOC= 0.162580 (SC local) +WTOR= 1.985990 (torsional) +WTORD= 1.570690 (double torsional) +WSTRAIN= 1.000000 (SS bridges & dist. cnstr.) +WEL_LOC= 0.160360 (multi-body 3-rd order) +WCORR4= 0.428870 (multi-body 4th order) +WCORR5= 0.000000 (multi-body 5th order) +WCORR6= 0.000000 (multi-body 6th order) +WSCCOR= 0.000000 (back-scloc correlatkion) +WTURN3= 1.687220 (turns, 3rd order) +WTURN4= 0.662300 (turns, 4th order) +WTURN6= 0.000000 (turns, 6th order) +WDFA_D= 0.000000 (DFA, distance) +WDFA_T= 0.000000 (DFA, torsional) +WDFA_N= 0.000000 (DFA, number of neighbor) +WDFA_B= 0.000000 (DFA, beta formation) + Reference temperature for weights calculation: 300.000000000000 + Parameters of the SS-bond potential: + D0CM 3.78000000000000 AKCM 15.1000000000000 AKTH + 11.0000000000000 AKCT 12.0000000000000 + V1SS -1.08000000000000 V2SS 7.61000000000000 V3SS + 13.7000000000000 + EBR -5.50000000000000 + ITEL + 1 21 0 + 2 14 1 + 3 5 1 + 4 8 1 + 5 4 1 + 6 13 1 + 7 7 1 + 8 5 1 + 9 19 1 + 10 16 1 + 11 10 1 + 12 10 2 + 13 20 1 + 14 12 1 + 15 12 1 + 16 10 1 + 17 18 2 + 18 20 2 + 19 20 2 + 20 20 1 + 21 12 0 + ns= 0 iss: + NZ_START= 2 NZ_END= 21 + IZ_SC= 0 + +Geometry of the virtual chain. + Res d Theta Gamma Dsc Alpha Beta +D 1 0.000 0.000 0.000 0.000 0.000 0.000 +ASN 2 3.800 0.000 0.000 1.684 0.000 0.000 +LEU 3 3.800 0.000 0.000 1.939 0.000 0.000 +TYR 4 3.800 0.000 0.000 2.484 0.000 0.000 +ILE 5 3.800 0.000 0.000 1.776 0.000 0.000 +GLN 6 3.800 0.000 0.000 2.240 0.000 0.000 +TRP 7 3.800 0.000 0.000 2.605 0.000 0.000 +LEU 8 3.800 0.000 0.000 1.939 0.000 0.000 +LYS 9 3.800 0.000 0.000 2.541 0.000 0.000 +ASP 10 3.800 0.000 0.000 1.709 0.000 0.000 +GLY 11 3.800 0.000 0.000 0.000 0.000 0.000 +GLY 12 3.800 0.000 0.000 0.000 0.000 0.000 +PRO 13 3.800 0.000 0.000 1.345 0.000 0.000 +SER 14 3.800 0.000 0.000 1.150 0.000 0.000 +SER 15 3.800 0.000 0.000 1.150 0.000 0.000 +GLY 16 3.800 0.000 0.000 0.000 0.000 0.000 +ARG 17 3.800 0.000 0.000 3.020 0.000 0.000 +PRO 18 3.800 0.000 0.000 1.345 0.000 0.000 +PRO 19 3.800 0.000 0.000 1.345 0.000 0.000 +PRO 20 3.800 0.000 0.000 1.345 0.000 0.000 +SER 21 3.800 0.000 0.000 1.150 0.000 0.000 +D 22 3.800 0.000 0.000 0.000 0.000 0.000 + + +******************************************************************************** + Processor 16: end reading molecular data. +******************************************************************************** + + +CSA calculations calculation. + +Conformations will be energy-minimized. +******************************************************************************** + +Waiting for 0.4375 sec +Waiting for 0.8984 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0039 sec + Finishing minim_jlee - signal 0 from master +Waiting for 0.6797 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0469 sec +Waiting for 0.0273 sec +Waiting for 0.5273 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.5078 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3164 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.5039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2773 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 1.0469 sec +Waiting for 0.0000 sec +Waiting for 0.0078 sec +Waiting for 0.0000 sec +Waiting for 0.0391 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.2227 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0039 sec +Waiting for 0.3398 sec +Waiting for 0.0430 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.7344 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 1.4023 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3633 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3086 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0078 sec +Waiting for 0.4297 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2578 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.2969 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2969 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.1328 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3086 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3633 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.5625 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3398 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3359 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3164 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.4570 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 1.1602 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2578 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3867 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2578 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3789 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0078 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3086 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.5117 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.4023 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0039 sec +Waiting for 0.3516 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2891 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3555 sec +Waiting for 0.0039 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3633 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3828 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2656 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3398 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.2734 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.3594 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2695 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2344 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 1.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.3203 sec +Waiting for 0.0078 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.4883 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3086 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0469 sec +Waiting for 0.4141 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3594 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.9883 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3789 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3242 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3008 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.4219 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3555 sec + Finishing minim_jlee - signal 0 from master + End of minim, proc 16 time 67.8164062500000 +CG processor 16 is finishing work. + Total wall clock time 74.3867187500000 sec diff --git a/examples/unres/CSA/GAB/CSA/local/1l2y_csa.out_GB017 b/examples/unres/CSA/GAB/CSA/local/1l2y_csa.out_GB017 new file mode 100644 index 0000000..d4558f2 --- /dev/null +++ b/examples/unres/CSA/GAB/CSA/local/1l2y_csa.out_GB017 @@ -0,0 +1,569 @@ +******************************************************************************** +United-residue force field calculation - parallel job. +******************************************************************************** + MPI: node= 17 iseed= -55075373 + ran_num 0.927542296830648 +RMSDBC = 3.0 +RMSDBC1 = 0.5 +RMSDBC1MAX = 1.5 +DRMS = 0.1 +RMSDBCM = 3.0 +Time limit (min): 960.0 + RESCALE_MODE 0 +Library routine used to diagonalize matrices. + +******************************************************************************** + Options in energy minimization: +******************************************************************************** +MaxMin: 3000 MaxFun: 1000MinMin: 3000 MinFun: 3000 TolF: 1.00000E-02 RTolF: 1.00000E-04 + NCONF_IN 0 + +Energy-term weights (unscaled): + +WSCC= 1.352790 (SC-SC) +WSCP= 1.593040 (SC-p) +WELEC= 0.715340 (p-p electr) +WVDWPP= 0.113710 (p-p VDW) +WBOND= 1.000000 (stretching) +WANG= 1.138730 (bending) +WSCLOC= 0.162580 (SC local) +WTOR= 1.985990 (torsional) +WTORD= 1.570690 (double torsional) +WSTRAIN= 1.000000 (SS bridges & dist. cnstr.) +WEL_LOC= 0.160360 (multi-body 3-rd order) +WCORR4= 0.428870 (multi-body 4th order) +WCORR5= 0.000000 (multi-body 5th order) +WCORR6= 0.000000 (multi-body 6th order) +WSCCOR= 0.000000 (back-scloc correlation) +WTURN3= 1.687220 (turns, 3rd order) +WTURN4= 0.662300 (turns, 4th order) +WTURN6= 0.000000 (turns, 6th order) +WDFA_D= 0.000000 (DFA, distance) +WDFA_T= 0.000000 (DFA, torsional) +WDFA_N= 0.000000 (DFA, number of neighbor) +WDFA_B= 0.000000 (DFA, beta formation) + +Hydrogen-bonding correlation between contact pairs of peptide groups + +Scaling factor of 1,4 SC-p interactions: 0.400 +General scaling factor of SC-p interactions: 1.000 + +Energy-term weights (scaled): + +WSCC= 1.352790 (SC-SC) +WSCP= 1.593040 (SC-p) +WELEC= 0.715340 (p-p electr) +WVDWPP= 0.113710 (p-p VDW) +WBOND= 1.000000 (stretching) +WANG= 1.138730 (bending) +WSCLOC= 0.162580 (SC local) +WTOR= 1.985990 (torsional) +WTORD= 1.570690 (double torsional) +WSTRAIN= 1.000000 (SS bridges & dist. cnstr.) +WEL_LOC= 0.160360 (multi-body 3-rd order) +WCORR4= 0.428870 (multi-body 4th order) +WCORR5= 0.000000 (multi-body 5th order) +WCORR6= 0.000000 (multi-body 6th order) +WSCCOR= 0.000000 (back-scloc correlatkion) +WTURN3= 1.687220 (turns, 3rd order) +WTURN4= 0.662300 (turns, 4th order) +WTURN6= 0.000000 (turns, 6th order) +WDFA_D= 0.000000 (DFA, distance) +WDFA_T= 0.000000 (DFA, torsional) +WDFA_N= 0.000000 (DFA, number of neighbor) +WDFA_B= 0.000000 (DFA, beta formation) + Reference temperature for weights calculation: 300.000000000000 + Parameters of the SS-bond potential: + D0CM 3.78000000000000 AKCM 15.1000000000000 AKTH + 11.0000000000000 AKCT 12.0000000000000 + V1SS -1.08000000000000 V2SS 7.61000000000000 V3SS + 13.7000000000000 + EBR -5.50000000000000 + ITEL + 1 21 0 + 2 14 1 + 3 5 1 + 4 8 1 + 5 4 1 + 6 13 1 + 7 7 1 + 8 5 1 + 9 19 1 + 10 16 1 + 11 10 1 + 12 10 2 + 13 20 1 + 14 12 1 + 15 12 1 + 16 10 1 + 17 18 2 + 18 20 2 + 19 20 2 + 20 20 1 + 21 12 0 + ns= 0 iss: + NZ_START= 2 NZ_END= 21 + IZ_SC= 0 + +Geometry of the virtual chain. + Res d Theta Gamma Dsc Alpha Beta +D 1 0.000 0.000 0.000 0.000 0.000 0.000 +ASN 2 3.800 0.000 0.000 1.684 0.000 0.000 +LEU 3 3.800 0.000 0.000 1.939 0.000 0.000 +TYR 4 3.800 0.000 0.000 2.484 0.000 0.000 +ILE 5 3.800 0.000 0.000 1.776 0.000 0.000 +GLN 6 3.800 0.000 0.000 2.240 0.000 0.000 +TRP 7 3.800 0.000 0.000 2.605 0.000 0.000 +LEU 8 3.800 0.000 0.000 1.939 0.000 0.000 +LYS 9 3.800 0.000 0.000 2.541 0.000 0.000 +ASP 10 3.800 0.000 0.000 1.709 0.000 0.000 +GLY 11 3.800 0.000 0.000 0.000 0.000 0.000 +GLY 12 3.800 0.000 0.000 0.000 0.000 0.000 +PRO 13 3.800 0.000 0.000 1.345 0.000 0.000 +SER 14 3.800 0.000 0.000 1.150 0.000 0.000 +SER 15 3.800 0.000 0.000 1.150 0.000 0.000 +GLY 16 3.800 0.000 0.000 0.000 0.000 0.000 +ARG 17 3.800 0.000 0.000 3.020 0.000 0.000 +PRO 18 3.800 0.000 0.000 1.345 0.000 0.000 +PRO 19 3.800 0.000 0.000 1.345 0.000 0.000 +PRO 20 3.800 0.000 0.000 1.345 0.000 0.000 +SER 21 3.800 0.000 0.000 1.150 0.000 0.000 +D 22 3.800 0.000 0.000 0.000 0.000 0.000 + + +******************************************************************************** + Processor 17: end reading molecular data. +******************************************************************************** + + +CSA calculations calculation. + +Conformations will be energy-minimized. +******************************************************************************** + +Waiting for 0.4375 sec +Waiting for 0.9180 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0117 sec +Waiting for 0.0000 sec + Finishing minim_jlee - signal 0 from master +Waiting for 0.6797 sec +Waiting for 0.0039 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0898 sec +Waiting for 0.0195 sec +Waiting for 0.5039 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.5156 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.3359 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.4766 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.3164 sec +Waiting for 0.0000 sec +Waiting for 0.0625 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 1.0469 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0234 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3320 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3594 sec +Waiting for 0.0000 sec +Waiting for 0.0156 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.7070 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 1.2773 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0078 sec +Waiting for 0.3320 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.3242 sec +Waiting for 0.0000 sec +Waiting for 0.0312 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.4609 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2422 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2812 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2734 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2891 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.2852 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2930 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.5820 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3594 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3594 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.3516 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.4727 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 1.1758 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3125 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3594 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.2656 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2188 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0039 sec +Waiting for 0.2578 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.4180 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3984 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3867 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3516 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3008 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3438 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3789 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2852 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3242 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2734 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3555 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2930 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0039 sec +Waiting for 0.2969 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.8711 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2500 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.4531 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.3633 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.4258 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3594 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.9180 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3555 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2930 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2695 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.4180 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3906 sec + Finishing minim_jlee - signal 0 from master + End of minim, proc 17 time 67.8164062500000 +CG processor 17 is finishing work. + Total wall clock time 74.3906250000000 sec diff --git a/examples/unres/CSA/GAB/CSA/local/1l2y_csa.out_GB018 b/examples/unres/CSA/GAB/CSA/local/1l2y_csa.out_GB018 new file mode 100644 index 0000000..11b79c2 --- /dev/null +++ b/examples/unres/CSA/GAB/CSA/local/1l2y_csa.out_GB018 @@ -0,0 +1,582 @@ +******************************************************************************** +United-residue force field calculation - parallel job. +******************************************************************************** + MPI: node= 18 iseed= -58135116 + ran_num 0.201294542683428 +RMSDBC = 3.0 +RMSDBC1 = 0.5 +RMSDBC1MAX = 1.5 +DRMS = 0.1 +RMSDBCM = 3.0 +Time limit (min): 960.0 + RESCALE_MODE 0 +Library routine used to diagonalize matrices. + +******************************************************************************** + Options in energy minimization: +******************************************************************************** +MaxMin: 3000 MaxFun: 1000MinMin: 3000 MinFun: 3000 TolF: 1.00000E-02 RTolF: 1.00000E-04 + NCONF_IN 0 + +Energy-term weights (unscaled): + +WSCC= 1.352790 (SC-SC) +WSCP= 1.593040 (SC-p) +WELEC= 0.715340 (p-p electr) +WVDWPP= 0.113710 (p-p VDW) +WBOND= 1.000000 (stretching) +WANG= 1.138730 (bending) +WSCLOC= 0.162580 (SC local) +WTOR= 1.985990 (torsional) +WTORD= 1.570690 (double torsional) +WSTRAIN= 1.000000 (SS bridges & dist. cnstr.) +WEL_LOC= 0.160360 (multi-body 3-rd order) +WCORR4= 0.428870 (multi-body 4th order) +WCORR5= 0.000000 (multi-body 5th order) +WCORR6= 0.000000 (multi-body 6th order) +WSCCOR= 0.000000 (back-scloc correlation) +WTURN3= 1.687220 (turns, 3rd order) +WTURN4= 0.662300 (turns, 4th order) +WTURN6= 0.000000 (turns, 6th order) +WDFA_D= 0.000000 (DFA, distance) +WDFA_T= 0.000000 (DFA, torsional) +WDFA_N= 0.000000 (DFA, number of neighbor) +WDFA_B= 0.000000 (DFA, beta formation) + +Hydrogen-bonding correlation between contact pairs of peptide groups + +Scaling factor of 1,4 SC-p interactions: 0.400 +General scaling factor of SC-p interactions: 1.000 + +Energy-term weights (scaled): + +WSCC= 1.352790 (SC-SC) +WSCP= 1.593040 (SC-p) +WELEC= 0.715340 (p-p electr) +WVDWPP= 0.113710 (p-p VDW) +WBOND= 1.000000 (stretching) +WANG= 1.138730 (bending) +WSCLOC= 0.162580 (SC local) +WTOR= 1.985990 (torsional) +WTORD= 1.570690 (double torsional) +WSTRAIN= 1.000000 (SS bridges & dist. cnstr.) +WEL_LOC= 0.160360 (multi-body 3-rd order) +WCORR4= 0.428870 (multi-body 4th order) +WCORR5= 0.000000 (multi-body 5th order) +WCORR6= 0.000000 (multi-body 6th order) +WSCCOR= 0.000000 (back-scloc correlatkion) +WTURN3= 1.687220 (turns, 3rd order) +WTURN4= 0.662300 (turns, 4th order) +WTURN6= 0.000000 (turns, 6th order) +WDFA_D= 0.000000 (DFA, distance) +WDFA_T= 0.000000 (DFA, torsional) +WDFA_N= 0.000000 (DFA, number of neighbor) +WDFA_B= 0.000000 (DFA, beta formation) + Reference temperature for weights calculation: 300.000000000000 + Parameters of the SS-bond potential: + D0CM 3.78000000000000 AKCM 15.1000000000000 AKTH + 11.0000000000000 AKCT 12.0000000000000 + V1SS -1.08000000000000 V2SS 7.61000000000000 V3SS + 13.7000000000000 + EBR -5.50000000000000 + ITEL + 1 21 0 + 2 14 1 + 3 5 1 + 4 8 1 + 5 4 1 + 6 13 1 + 7 7 1 + 8 5 1 + 9 19 1 + 10 16 1 + 11 10 1 + 12 10 2 + 13 20 1 + 14 12 1 + 15 12 1 + 16 10 1 + 17 18 2 + 18 20 2 + 19 20 2 + 20 20 1 + 21 12 0 + ns= 0 iss: + NZ_START= 2 NZ_END= 21 + IZ_SC= 0 + +Geometry of the virtual chain. + Res d Theta Gamma Dsc Alpha Beta +D 1 0.000 0.000 0.000 0.000 0.000 0.000 +ASN 2 3.800 0.000 0.000 1.684 0.000 0.000 +LEU 3 3.800 0.000 0.000 1.939 0.000 0.000 +TYR 4 3.800 0.000 0.000 2.484 0.000 0.000 +ILE 5 3.800 0.000 0.000 1.776 0.000 0.000 +GLN 6 3.800 0.000 0.000 2.240 0.000 0.000 +TRP 7 3.800 0.000 0.000 2.605 0.000 0.000 +LEU 8 3.800 0.000 0.000 1.939 0.000 0.000 +LYS 9 3.800 0.000 0.000 2.541 0.000 0.000 +ASP 10 3.800 0.000 0.000 1.709 0.000 0.000 +GLY 11 3.800 0.000 0.000 0.000 0.000 0.000 +GLY 12 3.800 0.000 0.000 0.000 0.000 0.000 +PRO 13 3.800 0.000 0.000 1.345 0.000 0.000 +SER 14 3.800 0.000 0.000 1.150 0.000 0.000 +SER 15 3.800 0.000 0.000 1.150 0.000 0.000 +GLY 16 3.800 0.000 0.000 0.000 0.000 0.000 +ARG 17 3.800 0.000 0.000 3.020 0.000 0.000 +PRO 18 3.800 0.000 0.000 1.345 0.000 0.000 +PRO 19 3.800 0.000 0.000 1.345 0.000 0.000 +PRO 20 3.800 0.000 0.000 1.345 0.000 0.000 +SER 21 3.800 0.000 0.000 1.150 0.000 0.000 +D 22 3.800 0.000 0.000 0.000 0.000 0.000 + + +******************************************************************************** + Processor 18: end reading molecular data. +******************************************************************************** + + +CSA calculations calculation. + +Conformations will be energy-minimized. +******************************************************************************** + +Waiting for 0.4414 sec +Waiting for 0.8711 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0664 sec +Waiting for 0.0000 sec + Finishing minim_jlee - signal 0 from master +Waiting for 0.6797 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0039 sec +Waiting for 0.0508 sec +Waiting for 0.0273 sec +Waiting for 0.4922 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.4844 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2109 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.4766 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2969 sec +Waiting for 0.0000 sec +Waiting for 0.0703 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 1.0898 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2734 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3594 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.6875 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 1.3711 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0078 sec +Waiting for 0.3711 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3164 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0156 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.4609 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2656 sec +Waiting for 0.0078 sec +Waiting for 0.0039 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.2891 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3047 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2656 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2109 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.3438 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.5898 sec +Waiting for 0.0195 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3242 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3125 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3555 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.4805 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 1.1602 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3203 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3945 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2969 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3594 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0078 sec +Waiting for 0.0000 sec +Waiting for 0.2812 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.4531 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.4336 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3828 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3594 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3867 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3555 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3594 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2422 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3438 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2539 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3086 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2148 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3867 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.8672 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3203 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.5195 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2891 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.3672 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.3555 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.9375 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3828 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.3477 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2969 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3711 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3945 sec + Finishing minim_jlee - signal 0 from master + End of minim, proc 18 time 67.8125000000000 +CG processor 18 is finishing work. + Total wall clock time 74.3906250000000 sec diff --git a/examples/unres/CSA/GAB/CSA/local/1l2y_csa.out_GB019 b/examples/unres/CSA/GAB/CSA/local/1l2y_csa.out_GB019 new file mode 100644 index 0000000..00e729c --- /dev/null +++ b/examples/unres/CSA/GAB/CSA/local/1l2y_csa.out_GB019 @@ -0,0 +1,565 @@ +******************************************************************************** +United-residue force field calculation - parallel job. +******************************************************************************** + MPI: node= 19 iseed= -61194859 + ran_num 0.475046788536207 +RMSDBC = 3.0 +RMSDBC1 = 0.5 +RMSDBC1MAX = 1.5 +DRMS = 0.1 +RMSDBCM = 3.0 +Time limit (min): 960.0 + RESCALE_MODE 0 +Library routine used to diagonalize matrices. + +******************************************************************************** + Options in energy minimization: +******************************************************************************** +MaxMin: 3000 MaxFun: 1000MinMin: 3000 MinFun: 3000 TolF: 1.00000E-02 RTolF: 1.00000E-04 + NCONF_IN 0 + +Energy-term weights (unscaled): + +WSCC= 1.352790 (SC-SC) +WSCP= 1.593040 (SC-p) +WELEC= 0.715340 (p-p electr) +WVDWPP= 0.113710 (p-p VDW) +WBOND= 1.000000 (stretching) +WANG= 1.138730 (bending) +WSCLOC= 0.162580 (SC local) +WTOR= 1.985990 (torsional) +WTORD= 1.570690 (double torsional) +WSTRAIN= 1.000000 (SS bridges & dist. cnstr.) +WEL_LOC= 0.160360 (multi-body 3-rd order) +WCORR4= 0.428870 (multi-body 4th order) +WCORR5= 0.000000 (multi-body 5th order) +WCORR6= 0.000000 (multi-body 6th order) +WSCCOR= 0.000000 (back-scloc correlation) +WTURN3= 1.687220 (turns, 3rd order) +WTURN4= 0.662300 (turns, 4th order) +WTURN6= 0.000000 (turns, 6th order) +WDFA_D= 0.000000 (DFA, distance) +WDFA_T= 0.000000 (DFA, torsional) +WDFA_N= 0.000000 (DFA, number of neighbor) +WDFA_B= 0.000000 (DFA, beta formation) + +Hydrogen-bonding correlation between contact pairs of peptide groups + +Scaling factor of 1,4 SC-p interactions: 0.400 +General scaling factor of SC-p interactions: 1.000 + +Energy-term weights (scaled): + +WSCC= 1.352790 (SC-SC) +WSCP= 1.593040 (SC-p) +WELEC= 0.715340 (p-p electr) +WVDWPP= 0.113710 (p-p VDW) +WBOND= 1.000000 (stretching) +WANG= 1.138730 (bending) +WSCLOC= 0.162580 (SC local) +WTOR= 1.985990 (torsional) +WTORD= 1.570690 (double torsional) +WSTRAIN= 1.000000 (SS bridges & dist. cnstr.) +WEL_LOC= 0.160360 (multi-body 3-rd order) +WCORR4= 0.428870 (multi-body 4th order) +WCORR5= 0.000000 (multi-body 5th order) +WCORR6= 0.000000 (multi-body 6th order) +WSCCOR= 0.000000 (back-scloc correlatkion) +WTURN3= 1.687220 (turns, 3rd order) +WTURN4= 0.662300 (turns, 4th order) +WTURN6= 0.000000 (turns, 6th order) +WDFA_D= 0.000000 (DFA, distance) +WDFA_T= 0.000000 (DFA, torsional) +WDFA_N= 0.000000 (DFA, number of neighbor) +WDFA_B= 0.000000 (DFA, beta formation) + Reference temperature for weights calculation: 300.000000000000 + Parameters of the SS-bond potential: + D0CM 3.78000000000000 AKCM 15.1000000000000 AKTH + 11.0000000000000 AKCT 12.0000000000000 + V1SS -1.08000000000000 V2SS 7.61000000000000 V3SS + 13.7000000000000 + EBR -5.50000000000000 + ITEL + 1 21 0 + 2 14 1 + 3 5 1 + 4 8 1 + 5 4 1 + 6 13 1 + 7 7 1 + 8 5 1 + 9 19 1 + 10 16 1 + 11 10 1 + 12 10 2 + 13 20 1 + 14 12 1 + 15 12 1 + 16 10 1 + 17 18 2 + 18 20 2 + 19 20 2 + 20 20 1 + 21 12 0 + ns= 0 iss: + NZ_START= 2 NZ_END= 21 + IZ_SC= 0 + +Geometry of the virtual chain. + Res d Theta Gamma Dsc Alpha Beta +D 1 0.000 0.000 0.000 0.000 0.000 0.000 +ASN 2 3.800 0.000 0.000 1.684 0.000 0.000 +LEU 3 3.800 0.000 0.000 1.939 0.000 0.000 +TYR 4 3.800 0.000 0.000 2.484 0.000 0.000 +ILE 5 3.800 0.000 0.000 1.776 0.000 0.000 +GLN 6 3.800 0.000 0.000 2.240 0.000 0.000 +TRP 7 3.800 0.000 0.000 2.605 0.000 0.000 +LEU 8 3.800 0.000 0.000 1.939 0.000 0.000 +LYS 9 3.800 0.000 0.000 2.541 0.000 0.000 +ASP 10 3.800 0.000 0.000 1.709 0.000 0.000 +GLY 11 3.800 0.000 0.000 0.000 0.000 0.000 +GLY 12 3.800 0.000 0.000 0.000 0.000 0.000 +PRO 13 3.800 0.000 0.000 1.345 0.000 0.000 +SER 14 3.800 0.000 0.000 1.150 0.000 0.000 +SER 15 3.800 0.000 0.000 1.150 0.000 0.000 +GLY 16 3.800 0.000 0.000 0.000 0.000 0.000 +ARG 17 3.800 0.000 0.000 3.020 0.000 0.000 +PRO 18 3.800 0.000 0.000 1.345 0.000 0.000 +PRO 19 3.800 0.000 0.000 1.345 0.000 0.000 +PRO 20 3.800 0.000 0.000 1.345 0.000 0.000 +SER 21 3.800 0.000 0.000 1.150 0.000 0.000 +D 22 3.800 0.000 0.000 0.000 0.000 0.000 + + +******************************************************************************** + Processor 19: end reading molecular data. +******************************************************************************** + + +CSA calculations calculation. + +Conformations will be energy-minimized. +******************************************************************************** + +Waiting for 0.4414 sec +Waiting for 0.8867 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0430 sec +Waiting for 0.0000 sec + Finishing minim_jlee - signal 0 from master +Waiting for 0.6797 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0547 sec +Waiting for 0.0469 sec +Waiting for 0.4375 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.4961 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.3242 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.4922 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2656 sec +Waiting for 0.0469 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 1.0938 sec +Waiting for 0.0000 sec +Waiting for 0.0352 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0586 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.3164 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.3203 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.7500 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 1.4141 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3164 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3203 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.4961 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.2305 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.3164 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3125 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3125 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3047 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3125 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.5469 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3477 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.3359 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.4023 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.4492 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 1.1055 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3320 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3750 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3203 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3203 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0078 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2266 sec +Waiting for 0.0000 sec +Waiting for 0.0078 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3594 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3984 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3984 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.3516 sec +Waiting for 0.0039 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.3750 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3711 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3477 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.3008 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.2969 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3281 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.3398 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.3008 sec +Waiting for 0.0039 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2148 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 1.0469 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.3750 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.4922 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3359 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0469 sec +Waiting for 0.4258 sec +Waiting for 0.0078 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3477 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 1.0078 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3789 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.3477 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3242 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.3828 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3789 sec + Finishing minim_jlee - signal 0 from master + End of minim, proc 19 time 67.8125000000000 +CG processor 19 is finishing work. + Total wall clock time 74.3906250000000 sec diff --git a/examples/unres/CSA/GAB/CSA/local/1l2y_csa.out_GB020 b/examples/unres/CSA/GAB/CSA/local/1l2y_csa.out_GB020 new file mode 100644 index 0000000..08fc34d --- /dev/null +++ b/examples/unres/CSA/GAB/CSA/local/1l2y_csa.out_GB020 @@ -0,0 +1,556 @@ +******************************************************************************** +United-residue force field calculation - parallel job. +******************************************************************************** + MPI: node= 20 iseed= -64254602 + ran_num 0.748799034388987 +RMSDBC = 3.0 +RMSDBC1 = 0.5 +RMSDBC1MAX = 1.5 +DRMS = 0.1 +RMSDBCM = 3.0 +Time limit (min): 960.0 + RESCALE_MODE 0 +Library routine used to diagonalize matrices. + +******************************************************************************** + Options in energy minimization: +******************************************************************************** +MaxMin: 3000 MaxFun: 1000MinMin: 3000 MinFun: 3000 TolF: 1.00000E-02 RTolF: 1.00000E-04 + NCONF_IN 0 + +Energy-term weights (unscaled): + +WSCC= 1.352790 (SC-SC) +WSCP= 1.593040 (SC-p) +WELEC= 0.715340 (p-p electr) +WVDWPP= 0.113710 (p-p VDW) +WBOND= 1.000000 (stretching) +WANG= 1.138730 (bending) +WSCLOC= 0.162580 (SC local) +WTOR= 1.985990 (torsional) +WTORD= 1.570690 (double torsional) +WSTRAIN= 1.000000 (SS bridges & dist. cnstr.) +WEL_LOC= 0.160360 (multi-body 3-rd order) +WCORR4= 0.428870 (multi-body 4th order) +WCORR5= 0.000000 (multi-body 5th order) +WCORR6= 0.000000 (multi-body 6th order) +WSCCOR= 0.000000 (back-scloc correlation) +WTURN3= 1.687220 (turns, 3rd order) +WTURN4= 0.662300 (turns, 4th order) +WTURN6= 0.000000 (turns, 6th order) +WDFA_D= 0.000000 (DFA, distance) +WDFA_T= 0.000000 (DFA, torsional) +WDFA_N= 0.000000 (DFA, number of neighbor) +WDFA_B= 0.000000 (DFA, beta formation) + +Hydrogen-bonding correlation between contact pairs of peptide groups + +Scaling factor of 1,4 SC-p interactions: 0.400 +General scaling factor of SC-p interactions: 1.000 + +Energy-term weights (scaled): + +WSCC= 1.352790 (SC-SC) +WSCP= 1.593040 (SC-p) +WELEC= 0.715340 (p-p electr) +WVDWPP= 0.113710 (p-p VDW) +WBOND= 1.000000 (stretching) +WANG= 1.138730 (bending) +WSCLOC= 0.162580 (SC local) +WTOR= 1.985990 (torsional) +WTORD= 1.570690 (double torsional) +WSTRAIN= 1.000000 (SS bridges & dist. cnstr.) +WEL_LOC= 0.160360 (multi-body 3-rd order) +WCORR4= 0.428870 (multi-body 4th order) +WCORR5= 0.000000 (multi-body 5th order) +WCORR6= 0.000000 (multi-body 6th order) +WSCCOR= 0.000000 (back-scloc correlatkion) +WTURN3= 1.687220 (turns, 3rd order) +WTURN4= 0.662300 (turns, 4th order) +WTURN6= 0.000000 (turns, 6th order) +WDFA_D= 0.000000 (DFA, distance) +WDFA_T= 0.000000 (DFA, torsional) +WDFA_N= 0.000000 (DFA, number of neighbor) +WDFA_B= 0.000000 (DFA, beta formation) + Reference temperature for weights calculation: 300.000000000000 + Parameters of the SS-bond potential: + D0CM 3.78000000000000 AKCM 15.1000000000000 AKTH + 11.0000000000000 AKCT 12.0000000000000 + V1SS -1.08000000000000 V2SS 7.61000000000000 V3SS + 13.7000000000000 + EBR -5.50000000000000 + ITEL + 1 21 0 + 2 14 1 + 3 5 1 + 4 8 1 + 5 4 1 + 6 13 1 + 7 7 1 + 8 5 1 + 9 19 1 + 10 16 1 + 11 10 1 + 12 10 2 + 13 20 1 + 14 12 1 + 15 12 1 + 16 10 1 + 17 18 2 + 18 20 2 + 19 20 2 + 20 20 1 + 21 12 0 + ns= 0 iss: + NZ_START= 2 NZ_END= 21 + IZ_SC= 0 + +Geometry of the virtual chain. + Res d Theta Gamma Dsc Alpha Beta +D 1 0.000 0.000 0.000 0.000 0.000 0.000 +ASN 2 3.800 0.000 0.000 1.684 0.000 0.000 +LEU 3 3.800 0.000 0.000 1.939 0.000 0.000 +TYR 4 3.800 0.000 0.000 2.484 0.000 0.000 +ILE 5 3.800 0.000 0.000 1.776 0.000 0.000 +GLN 6 3.800 0.000 0.000 2.240 0.000 0.000 +TRP 7 3.800 0.000 0.000 2.605 0.000 0.000 +LEU 8 3.800 0.000 0.000 1.939 0.000 0.000 +LYS 9 3.800 0.000 0.000 2.541 0.000 0.000 +ASP 10 3.800 0.000 0.000 1.709 0.000 0.000 +GLY 11 3.800 0.000 0.000 0.000 0.000 0.000 +GLY 12 3.800 0.000 0.000 0.000 0.000 0.000 +PRO 13 3.800 0.000 0.000 1.345 0.000 0.000 +SER 14 3.800 0.000 0.000 1.150 0.000 0.000 +SER 15 3.800 0.000 0.000 1.150 0.000 0.000 +GLY 16 3.800 0.000 0.000 0.000 0.000 0.000 +ARG 17 3.800 0.000 0.000 3.020 0.000 0.000 +PRO 18 3.800 0.000 0.000 1.345 0.000 0.000 +PRO 19 3.800 0.000 0.000 1.345 0.000 0.000 +PRO 20 3.800 0.000 0.000 1.345 0.000 0.000 +SER 21 3.800 0.000 0.000 1.150 0.000 0.000 +D 22 3.800 0.000 0.000 0.000 0.000 0.000 + + +******************************************************************************** + Processor 20: end reading molecular data. +******************************************************************************** + + +CSA calculations calculation. + +Conformations will be energy-minimized. +******************************************************************************** + +Waiting for 0.4336 sec +Waiting for 0.8906 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0195 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec + Finishing minim_jlee - signal 0 from master +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3984 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.3164 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.4414 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3164 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 1.0156 sec +Waiting for 0.0000 sec +Waiting for 0.0156 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0664 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.3594 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3242 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.7500 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 1.3984 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0547 sec +Waiting for 0.0508 sec +Waiting for 0.0000 sec +Waiting for 0.3438 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3477 sec +Waiting for 0.0352 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.4961 sec +Waiting for 0.0039 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2773 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2852 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2695 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.1875 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2969 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.3359 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.5820 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3633 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.3281 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.3711 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.4492 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 1.1641 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3359 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.4102 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.3047 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3711 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.2930 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.3555 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3750 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3594 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3359 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0078 sec +Waiting for 0.0000 sec +Waiting for 0.3789 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3398 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3789 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.2656 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2422 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3164 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.2617 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3125 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3828 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0078 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.8242 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3906 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.3984 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3555 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.4492 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3477 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.9766 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2969 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3594 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0078 sec +Waiting for 0.3438 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.4180 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3477 sec + Finishing minim_jlee - signal 0 from master + End of minim, proc 20 time 64.8593750000000 +CG processor 20 is finishing work. + Total wall clock time 74.3671875000000 sec diff --git a/examples/unres/CSA/GAB/CSA/local/1l2y_csa.out_GB021 b/examples/unres/CSA/GAB/CSA/local/1l2y_csa.out_GB021 new file mode 100644 index 0000000..a490323 --- /dev/null +++ b/examples/unres/CSA/GAB/CSA/local/1l2y_csa.out_GB021 @@ -0,0 +1,578 @@ +******************************************************************************** +United-residue force field calculation - parallel job. +******************************************************************************** + MPI: node= 21 iseed= -67314345 + ran_num 2.255128024176600E-002 +RMSDBC = 3.0 +RMSDBC1 = 0.5 +RMSDBC1MAX = 1.5 +DRMS = 0.1 +RMSDBCM = 3.0 +Time limit (min): 960.0 + RESCALE_MODE 0 +Library routine used to diagonalize matrices. + +******************************************************************************** + Options in energy minimization: +******************************************************************************** +MaxMin: 3000 MaxFun: 1000MinMin: 3000 MinFun: 3000 TolF: 1.00000E-02 RTolF: 1.00000E-04 + NCONF_IN 0 + +Energy-term weights (unscaled): + +WSCC= 1.352790 (SC-SC) +WSCP= 1.593040 (SC-p) +WELEC= 0.715340 (p-p electr) +WVDWPP= 0.113710 (p-p VDW) +WBOND= 1.000000 (stretching) +WANG= 1.138730 (bending) +WSCLOC= 0.162580 (SC local) +WTOR= 1.985990 (torsional) +WTORD= 1.570690 (double torsional) +WSTRAIN= 1.000000 (SS bridges & dist. cnstr.) +WEL_LOC= 0.160360 (multi-body 3-rd order) +WCORR4= 0.428870 (multi-body 4th order) +WCORR5= 0.000000 (multi-body 5th order) +WCORR6= 0.000000 (multi-body 6th order) +WSCCOR= 0.000000 (back-scloc correlation) +WTURN3= 1.687220 (turns, 3rd order) +WTURN4= 0.662300 (turns, 4th order) +WTURN6= 0.000000 (turns, 6th order) +WDFA_D= 0.000000 (DFA, distance) +WDFA_T= 0.000000 (DFA, torsional) +WDFA_N= 0.000000 (DFA, number of neighbor) +WDFA_B= 0.000000 (DFA, beta formation) + +Hydrogen-bonding correlation between contact pairs of peptide groups + +Scaling factor of 1,4 SC-p interactions: 0.400 +General scaling factor of SC-p interactions: 1.000 + +Energy-term weights (scaled): + +WSCC= 1.352790 (SC-SC) +WSCP= 1.593040 (SC-p) +WELEC= 0.715340 (p-p electr) +WVDWPP= 0.113710 (p-p VDW) +WBOND= 1.000000 (stretching) +WANG= 1.138730 (bending) +WSCLOC= 0.162580 (SC local) +WTOR= 1.985990 (torsional) +WTORD= 1.570690 (double torsional) +WSTRAIN= 1.000000 (SS bridges & dist. cnstr.) +WEL_LOC= 0.160360 (multi-body 3-rd order) +WCORR4= 0.428870 (multi-body 4th order) +WCORR5= 0.000000 (multi-body 5th order) +WCORR6= 0.000000 (multi-body 6th order) +WSCCOR= 0.000000 (back-scloc correlatkion) +WTURN3= 1.687220 (turns, 3rd order) +WTURN4= 0.662300 (turns, 4th order) +WTURN6= 0.000000 (turns, 6th order) +WDFA_D= 0.000000 (DFA, distance) +WDFA_T= 0.000000 (DFA, torsional) +WDFA_N= 0.000000 (DFA, number of neighbor) +WDFA_B= 0.000000 (DFA, beta formation) + Reference temperature for weights calculation: 300.000000000000 + Parameters of the SS-bond potential: + D0CM 3.78000000000000 AKCM 15.1000000000000 AKTH + 11.0000000000000 AKCT 12.0000000000000 + V1SS -1.08000000000000 V2SS 7.61000000000000 V3SS + 13.7000000000000 + EBR -5.50000000000000 + ITEL + 1 21 0 + 2 14 1 + 3 5 1 + 4 8 1 + 5 4 1 + 6 13 1 + 7 7 1 + 8 5 1 + 9 19 1 + 10 16 1 + 11 10 1 + 12 10 2 + 13 20 1 + 14 12 1 + 15 12 1 + 16 10 1 + 17 18 2 + 18 20 2 + 19 20 2 + 20 20 1 + 21 12 0 + ns= 0 iss: + NZ_START= 2 NZ_END= 21 + IZ_SC= 0 + +Geometry of the virtual chain. + Res d Theta Gamma Dsc Alpha Beta +D 1 0.000 0.000 0.000 0.000 0.000 0.000 +ASN 2 3.800 0.000 0.000 1.684 0.000 0.000 +LEU 3 3.800 0.000 0.000 1.939 0.000 0.000 +TYR 4 3.800 0.000 0.000 2.484 0.000 0.000 +ILE 5 3.800 0.000 0.000 1.776 0.000 0.000 +GLN 6 3.800 0.000 0.000 2.240 0.000 0.000 +TRP 7 3.800 0.000 0.000 2.605 0.000 0.000 +LEU 8 3.800 0.000 0.000 1.939 0.000 0.000 +LYS 9 3.800 0.000 0.000 2.541 0.000 0.000 +ASP 10 3.800 0.000 0.000 1.709 0.000 0.000 +GLY 11 3.800 0.000 0.000 0.000 0.000 0.000 +GLY 12 3.800 0.000 0.000 0.000 0.000 0.000 +PRO 13 3.800 0.000 0.000 1.345 0.000 0.000 +SER 14 3.800 0.000 0.000 1.150 0.000 0.000 +SER 15 3.800 0.000 0.000 1.150 0.000 0.000 +GLY 16 3.800 0.000 0.000 0.000 0.000 0.000 +ARG 17 3.800 0.000 0.000 3.020 0.000 0.000 +PRO 18 3.800 0.000 0.000 1.345 0.000 0.000 +PRO 19 3.800 0.000 0.000 1.345 0.000 0.000 +PRO 20 3.800 0.000 0.000 1.345 0.000 0.000 +SER 21 3.800 0.000 0.000 1.150 0.000 0.000 +D 22 3.800 0.000 0.000 0.000 0.000 0.000 + + +******************************************************************************** + Processor 21: end reading molecular data. +******************************************************************************** + + +CSA calculations calculation. + +Conformations will be energy-minimized. +******************************************************************************** + +Waiting for 0.4336 sec +Waiting for 0.9102 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec + Finishing minim_jlee - signal 0 from master +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.5156 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.3477 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.5156 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3125 sec +Waiting for 0.0273 sec +Waiting for 0.0430 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 1.0938 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0234 sec +Waiting for 0.0000 sec +Waiting for 0.3086 sec +Waiting for 0.0586 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3359 sec +Waiting for 0.0156 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.7109 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 1.3711 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0430 sec +Waiting for 0.2852 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.3125 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.4844 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3008 sec +Waiting for 0.0078 sec +Waiting for 0.0078 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.2930 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2500 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3008 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3203 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3672 sec +Waiting for 0.0195 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.5195 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3672 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2969 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.3203 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.4531 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 1.1562 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3047 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3828 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3164 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3711 sec +Waiting for 0.0000 sec +Waiting for 0.0312 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0078 sec +Waiting for 0.0000 sec +Waiting for 0.2812 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.5039 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.4023 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2344 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3633 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3320 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.2969 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.3398 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2422 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3203 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2188 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3516 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.2812 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.3906 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.9609 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.3555 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.5156 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3594 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.4961 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3320 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.9609 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3789 sec +Waiting for 0.0078 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3672 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3359 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.3906 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3008 sec + Finishing minim_jlee - signal 0 from master + End of minim, proc 21 time 64.8593750000000 +CG processor 21 is finishing work. + Total wall clock time 74.3671875000000 sec diff --git a/examples/unres/CSA/GAB/CSA/local/1l2y_csa.out_GB022 b/examples/unres/CSA/GAB/CSA/local/1l2y_csa.out_GB022 new file mode 100644 index 0000000..fbcd081 --- /dev/null +++ b/examples/unres/CSA/GAB/CSA/local/1l2y_csa.out_GB022 @@ -0,0 +1,559 @@ +******************************************************************************** +United-residue force field calculation - parallel job. +******************************************************************************** + MPI: node= 22 iseed= -70374088 + ran_num 0.296303526094545 +RMSDBC = 3.0 +RMSDBC1 = 0.5 +RMSDBC1MAX = 1.5 +DRMS = 0.1 +RMSDBCM = 3.0 +Time limit (min): 960.0 + RESCALE_MODE 0 +Library routine used to diagonalize matrices. + +******************************************************************************** + Options in energy minimization: +******************************************************************************** +MaxMin: 3000 MaxFun: 1000MinMin: 3000 MinFun: 3000 TolF: 1.00000E-02 RTolF: 1.00000E-04 + NCONF_IN 0 + +Energy-term weights (unscaled): + +WSCC= 1.352790 (SC-SC) +WSCP= 1.593040 (SC-p) +WELEC= 0.715340 (p-p electr) +WVDWPP= 0.113710 (p-p VDW) +WBOND= 1.000000 (stretching) +WANG= 1.138730 (bending) +WSCLOC= 0.162580 (SC local) +WTOR= 1.985990 (torsional) +WTORD= 1.570690 (double torsional) +WSTRAIN= 1.000000 (SS bridges & dist. cnstr.) +WEL_LOC= 0.160360 (multi-body 3-rd order) +WCORR4= 0.428870 (multi-body 4th order) +WCORR5= 0.000000 (multi-body 5th order) +WCORR6= 0.000000 (multi-body 6th order) +WSCCOR= 0.000000 (back-scloc correlation) +WTURN3= 1.687220 (turns, 3rd order) +WTURN4= 0.662300 (turns, 4th order) +WTURN6= 0.000000 (turns, 6th order) +WDFA_D= 0.000000 (DFA, distance) +WDFA_T= 0.000000 (DFA, torsional) +WDFA_N= 0.000000 (DFA, number of neighbor) +WDFA_B= 0.000000 (DFA, beta formation) + +Hydrogen-bonding correlation between contact pairs of peptide groups + +Scaling factor of 1,4 SC-p interactions: 0.400 +General scaling factor of SC-p interactions: 1.000 + +Energy-term weights (scaled): + +WSCC= 1.352790 (SC-SC) +WSCP= 1.593040 (SC-p) +WELEC= 0.715340 (p-p electr) +WVDWPP= 0.113710 (p-p VDW) +WBOND= 1.000000 (stretching) +WANG= 1.138730 (bending) +WSCLOC= 0.162580 (SC local) +WTOR= 1.985990 (torsional) +WTORD= 1.570690 (double torsional) +WSTRAIN= 1.000000 (SS bridges & dist. cnstr.) +WEL_LOC= 0.160360 (multi-body 3-rd order) +WCORR4= 0.428870 (multi-body 4th order) +WCORR5= 0.000000 (multi-body 5th order) +WCORR6= 0.000000 (multi-body 6th order) +WSCCOR= 0.000000 (back-scloc correlatkion) +WTURN3= 1.687220 (turns, 3rd order) +WTURN4= 0.662300 (turns, 4th order) +WTURN6= 0.000000 (turns, 6th order) +WDFA_D= 0.000000 (DFA, distance) +WDFA_T= 0.000000 (DFA, torsional) +WDFA_N= 0.000000 (DFA, number of neighbor) +WDFA_B= 0.000000 (DFA, beta formation) + Reference temperature for weights calculation: 300.000000000000 + Parameters of the SS-bond potential: + D0CM 3.78000000000000 AKCM 15.1000000000000 AKTH + 11.0000000000000 AKCT 12.0000000000000 + V1SS -1.08000000000000 V2SS 7.61000000000000 V3SS + 13.7000000000000 + EBR -5.50000000000000 + ITEL + 1 21 0 + 2 14 1 + 3 5 1 + 4 8 1 + 5 4 1 + 6 13 1 + 7 7 1 + 8 5 1 + 9 19 1 + 10 16 1 + 11 10 1 + 12 10 2 + 13 20 1 + 14 12 1 + 15 12 1 + 16 10 1 + 17 18 2 + 18 20 2 + 19 20 2 + 20 20 1 + 21 12 0 + ns= 0 iss: + NZ_START= 2 NZ_END= 21 + IZ_SC= 0 + +Geometry of the virtual chain. + Res d Theta Gamma Dsc Alpha Beta +D 1 0.000 0.000 0.000 0.000 0.000 0.000 +ASN 2 3.800 0.000 0.000 1.684 0.000 0.000 +LEU 3 3.800 0.000 0.000 1.939 0.000 0.000 +TYR 4 3.800 0.000 0.000 2.484 0.000 0.000 +ILE 5 3.800 0.000 0.000 1.776 0.000 0.000 +GLN 6 3.800 0.000 0.000 2.240 0.000 0.000 +TRP 7 3.800 0.000 0.000 2.605 0.000 0.000 +LEU 8 3.800 0.000 0.000 1.939 0.000 0.000 +LYS 9 3.800 0.000 0.000 2.541 0.000 0.000 +ASP 10 3.800 0.000 0.000 1.709 0.000 0.000 +GLY 11 3.800 0.000 0.000 0.000 0.000 0.000 +GLY 12 3.800 0.000 0.000 0.000 0.000 0.000 +PRO 13 3.800 0.000 0.000 1.345 0.000 0.000 +SER 14 3.800 0.000 0.000 1.150 0.000 0.000 +SER 15 3.800 0.000 0.000 1.150 0.000 0.000 +GLY 16 3.800 0.000 0.000 0.000 0.000 0.000 +ARG 17 3.800 0.000 0.000 3.020 0.000 0.000 +PRO 18 3.800 0.000 0.000 1.345 0.000 0.000 +PRO 19 3.800 0.000 0.000 1.345 0.000 0.000 +PRO 20 3.800 0.000 0.000 1.345 0.000 0.000 +SER 21 3.800 0.000 0.000 1.150 0.000 0.000 +D 22 3.800 0.000 0.000 0.000 0.000 0.000 + + +******************************************************************************** + Processor 22: end reading molecular data. +******************************************************************************** + + +CSA calculations calculation. + +Conformations will be energy-minimized. +******************************************************************************** + +Waiting for 0.4336 sec +Waiting for 1.0234 sec +Waiting for 0.0156 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0312 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec + Finishing minim_jlee - signal 0 from master +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.5391 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3203 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.4570 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.3164 sec +Waiting for 0.0820 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 1.0742 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0820 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3164 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.3516 sec +Waiting for 0.0000 sec +Waiting for 0.0352 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.7422 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 1.3828 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0469 sec +Waiting for 0.0391 sec +Waiting for 0.3125 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2930 sec +Waiting for 0.0039 sec +Waiting for 0.0430 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.4688 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3086 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2969 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.1172 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2891 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3164 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2852 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.5742 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.3516 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3555 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3750 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.4414 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 1.1602 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3125 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.4102 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3164 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.3750 sec +Waiting for 0.0000 sec +Waiting for 0.0156 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2930 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.4805 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.4219 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3867 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.3477 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2461 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3672 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0078 sec +Waiting for 0.3633 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.2891 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3281 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2812 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0039 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3398 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2734 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3945 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.9688 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.1992 sec +Waiting for 0.0000 sec +Waiting for 0.0078 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.4023 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3281 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.4102 sec +Waiting for 0.0039 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.3477 sec +Waiting for 0.0234 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.9414 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3828 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3672 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0078 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3516 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.4180 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3281 sec + Finishing minim_jlee - signal 0 from master + End of minim, proc 22 time 64.8085937500000 +CG processor 22 is finishing work. + Total wall clock time 74.3671875000000 sec diff --git a/examples/unres/CSA/GAB/CSA/local/1l2y_csa.out_GB023 b/examples/unres/CSA/GAB/CSA/local/1l2y_csa.out_GB023 new file mode 100644 index 0000000..16e3dce --- /dev/null +++ b/examples/unres/CSA/GAB/CSA/local/1l2y_csa.out_GB023 @@ -0,0 +1,549 @@ +******************************************************************************** +United-residue force field calculation - parallel job. +******************************************************************************** + MPI: node= 23 iseed= -73433831 + ran_num 0.570055771947325 +RMSDBC = 3.0 +RMSDBC1 = 0.5 +RMSDBC1MAX = 1.5 +DRMS = 0.1 +RMSDBCM = 3.0 +Time limit (min): 960.0 + RESCALE_MODE 0 +Library routine used to diagonalize matrices. + +******************************************************************************** + Options in energy minimization: +******************************************************************************** +MaxMin: 3000 MaxFun: 1000MinMin: 3000 MinFun: 3000 TolF: 1.00000E-02 RTolF: 1.00000E-04 + NCONF_IN 0 + +Energy-term weights (unscaled): + +WSCC= 1.352790 (SC-SC) +WSCP= 1.593040 (SC-p) +WELEC= 0.715340 (p-p electr) +WVDWPP= 0.113710 (p-p VDW) +WBOND= 1.000000 (stretching) +WANG= 1.138730 (bending) +WSCLOC= 0.162580 (SC local) +WTOR= 1.985990 (torsional) +WTORD= 1.570690 (double torsional) +WSTRAIN= 1.000000 (SS bridges & dist. cnstr.) +WEL_LOC= 0.160360 (multi-body 3-rd order) +WCORR4= 0.428870 (multi-body 4th order) +WCORR5= 0.000000 (multi-body 5th order) +WCORR6= 0.000000 (multi-body 6th order) +WSCCOR= 0.000000 (back-scloc correlation) +WTURN3= 1.687220 (turns, 3rd order) +WTURN4= 0.662300 (turns, 4th order) +WTURN6= 0.000000 (turns, 6th order) +WDFA_D= 0.000000 (DFA, distance) +WDFA_T= 0.000000 (DFA, torsional) +WDFA_N= 0.000000 (DFA, number of neighbor) +WDFA_B= 0.000000 (DFA, beta formation) + +Hydrogen-bonding correlation between contact pairs of peptide groups + +Scaling factor of 1,4 SC-p interactions: 0.400 +General scaling factor of SC-p interactions: 1.000 + +Energy-term weights (scaled): + +WSCC= 1.352790 (SC-SC) +WSCP= 1.593040 (SC-p) +WELEC= 0.715340 (p-p electr) +WVDWPP= 0.113710 (p-p VDW) +WBOND= 1.000000 (stretching) +WANG= 1.138730 (bending) +WSCLOC= 0.162580 (SC local) +WTOR= 1.985990 (torsional) +WTORD= 1.570690 (double torsional) +WSTRAIN= 1.000000 (SS bridges & dist. cnstr.) +WEL_LOC= 0.160360 (multi-body 3-rd order) +WCORR4= 0.428870 (multi-body 4th order) +WCORR5= 0.000000 (multi-body 5th order) +WCORR6= 0.000000 (multi-body 6th order) +WSCCOR= 0.000000 (back-scloc correlatkion) +WTURN3= 1.687220 (turns, 3rd order) +WTURN4= 0.662300 (turns, 4th order) +WTURN6= 0.000000 (turns, 6th order) +WDFA_D= 0.000000 (DFA, distance) +WDFA_T= 0.000000 (DFA, torsional) +WDFA_N= 0.000000 (DFA, number of neighbor) +WDFA_B= 0.000000 (DFA, beta formation) + Reference temperature for weights calculation: 300.000000000000 + Parameters of the SS-bond potential: + D0CM 3.78000000000000 AKCM 15.1000000000000 AKTH + 11.0000000000000 AKCT 12.0000000000000 + V1SS -1.08000000000000 V2SS 7.61000000000000 V3SS + 13.7000000000000 + EBR -5.50000000000000 + ITEL + 1 21 0 + 2 14 1 + 3 5 1 + 4 8 1 + 5 4 1 + 6 13 1 + 7 7 1 + 8 5 1 + 9 19 1 + 10 16 1 + 11 10 1 + 12 10 2 + 13 20 1 + 14 12 1 + 15 12 1 + 16 10 1 + 17 18 2 + 18 20 2 + 19 20 2 + 20 20 1 + 21 12 0 + ns= 0 iss: + NZ_START= 2 NZ_END= 21 + IZ_SC= 0 + +Geometry of the virtual chain. + Res d Theta Gamma Dsc Alpha Beta +D 1 0.000 0.000 0.000 0.000 0.000 0.000 +ASN 2 3.800 0.000 0.000 1.684 0.000 0.000 +LEU 3 3.800 0.000 0.000 1.939 0.000 0.000 +TYR 4 3.800 0.000 0.000 2.484 0.000 0.000 +ILE 5 3.800 0.000 0.000 1.776 0.000 0.000 +GLN 6 3.800 0.000 0.000 2.240 0.000 0.000 +TRP 7 3.800 0.000 0.000 2.605 0.000 0.000 +LEU 8 3.800 0.000 0.000 1.939 0.000 0.000 +LYS 9 3.800 0.000 0.000 2.541 0.000 0.000 +ASP 10 3.800 0.000 0.000 1.709 0.000 0.000 +GLY 11 3.800 0.000 0.000 0.000 0.000 0.000 +GLY 12 3.800 0.000 0.000 0.000 0.000 0.000 +PRO 13 3.800 0.000 0.000 1.345 0.000 0.000 +SER 14 3.800 0.000 0.000 1.150 0.000 0.000 +SER 15 3.800 0.000 0.000 1.150 0.000 0.000 +GLY 16 3.800 0.000 0.000 0.000 0.000 0.000 +ARG 17 3.800 0.000 0.000 3.020 0.000 0.000 +PRO 18 3.800 0.000 0.000 1.345 0.000 0.000 +PRO 19 3.800 0.000 0.000 1.345 0.000 0.000 +PRO 20 3.800 0.000 0.000 1.345 0.000 0.000 +SER 21 3.800 0.000 0.000 1.150 0.000 0.000 +D 22 3.800 0.000 0.000 0.000 0.000 0.000 + + +******************************************************************************** + Processor 23: end reading molecular data. +******************************************************************************** + + +CSA calculations calculation. + +Conformations will be energy-minimized. +******************************************************************************** + +Waiting for 0.4375 sec +Waiting for 0.9648 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec + Finishing minim_jlee - signal 0 from master +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.4414 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.3359 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.4609 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3281 sec +Waiting for 0.0586 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 1.0703 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3359 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.2969 sec +Waiting for 0.0195 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.7578 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 1.3711 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0391 sec +Waiting for 0.0000 sec +Waiting for 0.0156 sec +Waiting for 0.2930 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3008 sec +Waiting for 0.0000 sec +Waiting for 0.0430 sec +Waiting for 0.0195 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.4688 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2734 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.3242 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.2773 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2891 sec +Waiting for 0.0078 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.3242 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3359 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.5938 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.3711 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.3516 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3633 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.4531 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 1.1602 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3320 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3984 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2734 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.3828 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2734 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3984 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3789 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.3203 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3320 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3359 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3359 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3633 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2812 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3320 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.3398 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3555 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.3008 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.3594 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 1.0312 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3906 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.5039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3125 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.4766 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3203 sec +Waiting for 0.0039 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 1.0078 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3711 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.3164 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2695 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3359 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.4102 sec + Finishing minim_jlee - signal 0 from master + End of minim, proc 23 time 64.8554687500000 +CG processor 23 is finishing work. + Total wall clock time 74.3710937500000 sec diff --git a/examples/unres/CSA/GAB/CSA/local/1l2y_csa.out_GB024 b/examples/unres/CSA/GAB/CSA/local/1l2y_csa.out_GB024 new file mode 100644 index 0000000..229e660 --- /dev/null +++ b/examples/unres/CSA/GAB/CSA/local/1l2y_csa.out_GB024 @@ -0,0 +1,577 @@ +******************************************************************************** +United-residue force field calculation - parallel job. +******************************************************************************** + MPI: node= 24 iseed= -76493574 + ran_num 0.843808017800105 +RMSDBC = 3.0 +RMSDBC1 = 0.5 +RMSDBC1MAX = 1.5 +DRMS = 0.1 +RMSDBCM = 3.0 +Time limit (min): 960.0 + RESCALE_MODE 0 +Library routine used to diagonalize matrices. + +******************************************************************************** + Options in energy minimization: +******************************************************************************** +MaxMin: 3000 MaxFun: 1000MinMin: 3000 MinFun: 3000 TolF: 1.00000E-02 RTolF: 1.00000E-04 + NCONF_IN 0 + +Energy-term weights (unscaled): + +WSCC= 1.352790 (SC-SC) +WSCP= 1.593040 (SC-p) +WELEC= 0.715340 (p-p electr) +WVDWPP= 0.113710 (p-p VDW) +WBOND= 1.000000 (stretching) +WANG= 1.138730 (bending) +WSCLOC= 0.162580 (SC local) +WTOR= 1.985990 (torsional) +WTORD= 1.570690 (double torsional) +WSTRAIN= 1.000000 (SS bridges & dist. cnstr.) +WEL_LOC= 0.160360 (multi-body 3-rd order) +WCORR4= 0.428870 (multi-body 4th order) +WCORR5= 0.000000 (multi-body 5th order) +WCORR6= 0.000000 (multi-body 6th order) +WSCCOR= 0.000000 (back-scloc correlation) +WTURN3= 1.687220 (turns, 3rd order) +WTURN4= 0.662300 (turns, 4th order) +WTURN6= 0.000000 (turns, 6th order) +WDFA_D= 0.000000 (DFA, distance) +WDFA_T= 0.000000 (DFA, torsional) +WDFA_N= 0.000000 (DFA, number of neighbor) +WDFA_B= 0.000000 (DFA, beta formation) + +Hydrogen-bonding correlation between contact pairs of peptide groups + +Scaling factor of 1,4 SC-p interactions: 0.400 +General scaling factor of SC-p interactions: 1.000 + +Energy-term weights (scaled): + +WSCC= 1.352790 (SC-SC) +WSCP= 1.593040 (SC-p) +WELEC= 0.715340 (p-p electr) +WVDWPP= 0.113710 (p-p VDW) +WBOND= 1.000000 (stretching) +WANG= 1.138730 (bending) +WSCLOC= 0.162580 (SC local) +WTOR= 1.985990 (torsional) +WTORD= 1.570690 (double torsional) +WSTRAIN= 1.000000 (SS bridges & dist. cnstr.) +WEL_LOC= 0.160360 (multi-body 3-rd order) +WCORR4= 0.428870 (multi-body 4th order) +WCORR5= 0.000000 (multi-body 5th order) +WCORR6= 0.000000 (multi-body 6th order) +WSCCOR= 0.000000 (back-scloc correlatkion) +WTURN3= 1.687220 (turns, 3rd order) +WTURN4= 0.662300 (turns, 4th order) +WTURN6= 0.000000 (turns, 6th order) +WDFA_D= 0.000000 (DFA, distance) +WDFA_T= 0.000000 (DFA, torsional) +WDFA_N= 0.000000 (DFA, number of neighbor) +WDFA_B= 0.000000 (DFA, beta formation) + Reference temperature for weights calculation: 300.000000000000 + Parameters of the SS-bond potential: + D0CM 3.78000000000000 AKCM 15.1000000000000 AKTH + 11.0000000000000 AKCT 12.0000000000000 + V1SS -1.08000000000000 V2SS 7.61000000000000 V3SS + 13.7000000000000 + EBR -5.50000000000000 + ITEL + 1 21 0 + 2 14 1 + 3 5 1 + 4 8 1 + 5 4 1 + 6 13 1 + 7 7 1 + 8 5 1 + 9 19 1 + 10 16 1 + 11 10 1 + 12 10 2 + 13 20 1 + 14 12 1 + 15 12 1 + 16 10 1 + 17 18 2 + 18 20 2 + 19 20 2 + 20 20 1 + 21 12 0 + ns= 0 iss: + NZ_START= 2 NZ_END= 21 + IZ_SC= 0 + +Geometry of the virtual chain. + Res d Theta Gamma Dsc Alpha Beta +D 1 0.000 0.000 0.000 0.000 0.000 0.000 +ASN 2 3.800 0.000 0.000 1.684 0.000 0.000 +LEU 3 3.800 0.000 0.000 1.939 0.000 0.000 +TYR 4 3.800 0.000 0.000 2.484 0.000 0.000 +ILE 5 3.800 0.000 0.000 1.776 0.000 0.000 +GLN 6 3.800 0.000 0.000 2.240 0.000 0.000 +TRP 7 3.800 0.000 0.000 2.605 0.000 0.000 +LEU 8 3.800 0.000 0.000 1.939 0.000 0.000 +LYS 9 3.800 0.000 0.000 2.541 0.000 0.000 +ASP 10 3.800 0.000 0.000 1.709 0.000 0.000 +GLY 11 3.800 0.000 0.000 0.000 0.000 0.000 +GLY 12 3.800 0.000 0.000 0.000 0.000 0.000 +PRO 13 3.800 0.000 0.000 1.345 0.000 0.000 +SER 14 3.800 0.000 0.000 1.150 0.000 0.000 +SER 15 3.800 0.000 0.000 1.150 0.000 0.000 +GLY 16 3.800 0.000 0.000 0.000 0.000 0.000 +ARG 17 3.800 0.000 0.000 3.020 0.000 0.000 +PRO 18 3.800 0.000 0.000 1.345 0.000 0.000 +PRO 19 3.800 0.000 0.000 1.345 0.000 0.000 +PRO 20 3.800 0.000 0.000 1.345 0.000 0.000 +SER 21 3.800 0.000 0.000 1.150 0.000 0.000 +D 22 3.800 0.000 0.000 0.000 0.000 0.000 + + +******************************************************************************** + Processor 24: end reading molecular data. +******************************************************************************** + + +CSA calculations calculation. + +Conformations will be energy-minimized. +******************************************************************************** + +Waiting for 0.4258 sec +Waiting for 1.0664 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0195 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec + Finishing minim_jlee - signal 0 from master +Waiting for 0.6797 sec +Waiting for 0.0312 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0352 sec +Waiting for 0.0234 sec +Waiting for 0.4805 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.4219 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3281 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.4570 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2656 sec +Waiting for 0.0000 sec +Waiting for 0.0078 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 1.1055 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3477 sec +Waiting for 0.0039 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3359 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.7227 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 1.3984 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.3398 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3359 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3906 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3125 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3047 sec +Waiting for 0.0039 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3086 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3047 sec +Waiting for 0.0039 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2695 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3359 sec +Waiting for 0.0000 sec +Waiting for 0.0078 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.5000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3711 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3359 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3672 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3633 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 1.1758 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2578 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3906 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3047 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.3906 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2070 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.4844 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.4180 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3516 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0078 sec +Waiting for 0.3633 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3438 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3281 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3516 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.2930 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3438 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3203 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2891 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3125 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0078 sec +Waiting for 0.0000 sec +Waiting for 0.3945 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.9375 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3789 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.4141 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3555 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.4219 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2891 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.9609 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3398 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3164 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.3281 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3750 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.4102 sec + Finishing minim_jlee - signal 0 from master + End of minim, proc 24 time 67.8164062500000 +CG processor 24 is finishing work. + Total wall clock time 74.3671875000000 sec diff --git a/examples/unres/CSA/GAB/CSA/local/1l2y_csa.out_GB025 b/examples/unres/CSA/GAB/CSA/local/1l2y_csa.out_GB025 new file mode 100644 index 0000000..08016ef --- /dev/null +++ b/examples/unres/CSA/GAB/CSA/local/1l2y_csa.out_GB025 @@ -0,0 +1,574 @@ +******************************************************************************** +United-residue force field calculation - parallel job. +******************************************************************************** + MPI: node= 25 iseed= -79553317 + ran_num 0.117560263652884 +RMSDBC = 3.0 +RMSDBC1 = 0.5 +RMSDBC1MAX = 1.5 +DRMS = 0.1 +RMSDBCM = 3.0 +Time limit (min): 960.0 + RESCALE_MODE 0 +Library routine used to diagonalize matrices. + +******************************************************************************** + Options in energy minimization: +******************************************************************************** +MaxMin: 3000 MaxFun: 1000MinMin: 3000 MinFun: 3000 TolF: 1.00000E-02 RTolF: 1.00000E-04 + NCONF_IN 0 + +Energy-term weights (unscaled): + +WSCC= 1.352790 (SC-SC) +WSCP= 1.593040 (SC-p) +WELEC= 0.715340 (p-p electr) +WVDWPP= 0.113710 (p-p VDW) +WBOND= 1.000000 (stretching) +WANG= 1.138730 (bending) +WSCLOC= 0.162580 (SC local) +WTOR= 1.985990 (torsional) +WTORD= 1.570690 (double torsional) +WSTRAIN= 1.000000 (SS bridges & dist. cnstr.) +WEL_LOC= 0.160360 (multi-body 3-rd order) +WCORR4= 0.428870 (multi-body 4th order) +WCORR5= 0.000000 (multi-body 5th order) +WCORR6= 0.000000 (multi-body 6th order) +WSCCOR= 0.000000 (back-scloc correlation) +WTURN3= 1.687220 (turns, 3rd order) +WTURN4= 0.662300 (turns, 4th order) +WTURN6= 0.000000 (turns, 6th order) +WDFA_D= 0.000000 (DFA, distance) +WDFA_T= 0.000000 (DFA, torsional) +WDFA_N= 0.000000 (DFA, number of neighbor) +WDFA_B= 0.000000 (DFA, beta formation) + +Hydrogen-bonding correlation between contact pairs of peptide groups + +Scaling factor of 1,4 SC-p interactions: 0.400 +General scaling factor of SC-p interactions: 1.000 + +Energy-term weights (scaled): + +WSCC= 1.352790 (SC-SC) +WSCP= 1.593040 (SC-p) +WELEC= 0.715340 (p-p electr) +WVDWPP= 0.113710 (p-p VDW) +WBOND= 1.000000 (stretching) +WANG= 1.138730 (bending) +WSCLOC= 0.162580 (SC local) +WTOR= 1.985990 (torsional) +WTORD= 1.570690 (double torsional) +WSTRAIN= 1.000000 (SS bridges & dist. cnstr.) +WEL_LOC= 0.160360 (multi-body 3-rd order) +WCORR4= 0.428870 (multi-body 4th order) +WCORR5= 0.000000 (multi-body 5th order) +WCORR6= 0.000000 (multi-body 6th order) +WSCCOR= 0.000000 (back-scloc correlatkion) +WTURN3= 1.687220 (turns, 3rd order) +WTURN4= 0.662300 (turns, 4th order) +WTURN6= 0.000000 (turns, 6th order) +WDFA_D= 0.000000 (DFA, distance) +WDFA_T= 0.000000 (DFA, torsional) +WDFA_N= 0.000000 (DFA, number of neighbor) +WDFA_B= 0.000000 (DFA, beta formation) + Reference temperature for weights calculation: 300.000000000000 + Parameters of the SS-bond potential: + D0CM 3.78000000000000 AKCM 15.1000000000000 AKTH + 11.0000000000000 AKCT 12.0000000000000 + V1SS -1.08000000000000 V2SS 7.61000000000000 V3SS + 13.7000000000000 + EBR -5.50000000000000 + ITEL + 1 21 0 + 2 14 1 + 3 5 1 + 4 8 1 + 5 4 1 + 6 13 1 + 7 7 1 + 8 5 1 + 9 19 1 + 10 16 1 + 11 10 1 + 12 10 2 + 13 20 1 + 14 12 1 + 15 12 1 + 16 10 1 + 17 18 2 + 18 20 2 + 19 20 2 + 20 20 1 + 21 12 0 + ns= 0 iss: + NZ_START= 2 NZ_END= 21 + IZ_SC= 0 + +Geometry of the virtual chain. + Res d Theta Gamma Dsc Alpha Beta +D 1 0.000 0.000 0.000 0.000 0.000 0.000 +ASN 2 3.800 0.000 0.000 1.684 0.000 0.000 +LEU 3 3.800 0.000 0.000 1.939 0.000 0.000 +TYR 4 3.800 0.000 0.000 2.484 0.000 0.000 +ILE 5 3.800 0.000 0.000 1.776 0.000 0.000 +GLN 6 3.800 0.000 0.000 2.240 0.000 0.000 +TRP 7 3.800 0.000 0.000 2.605 0.000 0.000 +LEU 8 3.800 0.000 0.000 1.939 0.000 0.000 +LYS 9 3.800 0.000 0.000 2.541 0.000 0.000 +ASP 10 3.800 0.000 0.000 1.709 0.000 0.000 +GLY 11 3.800 0.000 0.000 0.000 0.000 0.000 +GLY 12 3.800 0.000 0.000 0.000 0.000 0.000 +PRO 13 3.800 0.000 0.000 1.345 0.000 0.000 +SER 14 3.800 0.000 0.000 1.150 0.000 0.000 +SER 15 3.800 0.000 0.000 1.150 0.000 0.000 +GLY 16 3.800 0.000 0.000 0.000 0.000 0.000 +ARG 17 3.800 0.000 0.000 3.020 0.000 0.000 +PRO 18 3.800 0.000 0.000 1.345 0.000 0.000 +PRO 19 3.800 0.000 0.000 1.345 0.000 0.000 +PRO 20 3.800 0.000 0.000 1.345 0.000 0.000 +SER 21 3.800 0.000 0.000 1.150 0.000 0.000 +D 22 3.800 0.000 0.000 0.000 0.000 0.000 + + +******************************************************************************** + Processor 25: end reading molecular data. +******************************************************************************** + + +CSA calculations calculation. + +Conformations will be energy-minimized. +******************************************************************************** + +Waiting for 0.4258 sec +Waiting for 0.8828 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec + Finishing minim_jlee - signal 0 from master +Waiting for 0.6797 sec +Waiting for 0.0273 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0234 sec +Waiting for 0.4688 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.4844 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3125 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.4570 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3203 sec +Waiting for 0.0547 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 1.0898 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0586 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.3516 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3242 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.7500 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 1.4219 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0508 sec +Waiting for 0.0000 sec +Waiting for 0.1133 sec +Waiting for 0.2891 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3477 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0156 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.4648 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2891 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.1875 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2461 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3125 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3047 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3359 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.5859 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3789 sec +Waiting for 0.0039 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3359 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3203 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.4688 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 1.0547 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2969 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3789 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2891 sec +Waiting for 0.0117 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3828 sec +Waiting for 0.0039 sec +Waiting for 0.0508 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2383 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.5156 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.4336 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3906 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3516 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3750 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3516 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3789 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2812 sec +Waiting for 0.0078 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3125 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3203 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2734 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3047 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3477 sec +Waiting for 0.0195 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.9883 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3945 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3633 sec +Waiting for 0.0039 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.3438 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.4609 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3594 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.9922 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3398 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3750 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3242 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.4180 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3672 sec + Finishing minim_jlee - signal 0 from master + End of minim, proc 25 time 67.8164062500000 +CG processor 25 is finishing work. + Total wall clock time 74.3671875000000 sec diff --git a/examples/unres/CSA/GAB/CSA/local/1l2y_csa.out_GB026 b/examples/unres/CSA/GAB/CSA/local/1l2y_csa.out_GB026 new file mode 100644 index 0000000..0db6249 --- /dev/null +++ b/examples/unres/CSA/GAB/CSA/local/1l2y_csa.out_GB026 @@ -0,0 +1,579 @@ +******************************************************************************** +United-residue force field calculation - parallel job. +******************************************************************************** + MPI: node= 26 iseed= -82613060 + ran_num 0.391312509505663 +RMSDBC = 3.0 +RMSDBC1 = 0.5 +RMSDBC1MAX = 1.5 +DRMS = 0.1 +RMSDBCM = 3.0 +Time limit (min): 960.0 + RESCALE_MODE 0 +Library routine used to diagonalize matrices. + +******************************************************************************** + Options in energy minimization: +******************************************************************************** +MaxMin: 3000 MaxFun: 1000MinMin: 3000 MinFun: 3000 TolF: 1.00000E-02 RTolF: 1.00000E-04 + NCONF_IN 0 + +Energy-term weights (unscaled): + +WSCC= 1.352790 (SC-SC) +WSCP= 1.593040 (SC-p) +WELEC= 0.715340 (p-p electr) +WVDWPP= 0.113710 (p-p VDW) +WBOND= 1.000000 (stretching) +WANG= 1.138730 (bending) +WSCLOC= 0.162580 (SC local) +WTOR= 1.985990 (torsional) +WTORD= 1.570690 (double torsional) +WSTRAIN= 1.000000 (SS bridges & dist. cnstr.) +WEL_LOC= 0.160360 (multi-body 3-rd order) +WCORR4= 0.428870 (multi-body 4th order) +WCORR5= 0.000000 (multi-body 5th order) +WCORR6= 0.000000 (multi-body 6th order) +WSCCOR= 0.000000 (back-scloc correlation) +WTURN3= 1.687220 (turns, 3rd order) +WTURN4= 0.662300 (turns, 4th order) +WTURN6= 0.000000 (turns, 6th order) +WDFA_D= 0.000000 (DFA, distance) +WDFA_T= 0.000000 (DFA, torsional) +WDFA_N= 0.000000 (DFA, number of neighbor) +WDFA_B= 0.000000 (DFA, beta formation) + +Hydrogen-bonding correlation between contact pairs of peptide groups + +Scaling factor of 1,4 SC-p interactions: 0.400 +General scaling factor of SC-p interactions: 1.000 + +Energy-term weights (scaled): + +WSCC= 1.352790 (SC-SC) +WSCP= 1.593040 (SC-p) +WELEC= 0.715340 (p-p electr) +WVDWPP= 0.113710 (p-p VDW) +WBOND= 1.000000 (stretching) +WANG= 1.138730 (bending) +WSCLOC= 0.162580 (SC local) +WTOR= 1.985990 (torsional) +WTORD= 1.570690 (double torsional) +WSTRAIN= 1.000000 (SS bridges & dist. cnstr.) +WEL_LOC= 0.160360 (multi-body 3-rd order) +WCORR4= 0.428870 (multi-body 4th order) +WCORR5= 0.000000 (multi-body 5th order) +WCORR6= 0.000000 (multi-body 6th order) +WSCCOR= 0.000000 (back-scloc correlatkion) +WTURN3= 1.687220 (turns, 3rd order) +WTURN4= 0.662300 (turns, 4th order) +WTURN6= 0.000000 (turns, 6th order) +WDFA_D= 0.000000 (DFA, distance) +WDFA_T= 0.000000 (DFA, torsional) +WDFA_N= 0.000000 (DFA, number of neighbor) +WDFA_B= 0.000000 (DFA, beta formation) + Reference temperature for weights calculation: 300.000000000000 + Parameters of the SS-bond potential: + D0CM 3.78000000000000 AKCM 15.1000000000000 AKTH + 11.0000000000000 AKCT 12.0000000000000 + V1SS -1.08000000000000 V2SS 7.61000000000000 V3SS + 13.7000000000000 + EBR -5.50000000000000 + ITEL + 1 21 0 + 2 14 1 + 3 5 1 + 4 8 1 + 5 4 1 + 6 13 1 + 7 7 1 + 8 5 1 + 9 19 1 + 10 16 1 + 11 10 1 + 12 10 2 + 13 20 1 + 14 12 1 + 15 12 1 + 16 10 1 + 17 18 2 + 18 20 2 + 19 20 2 + 20 20 1 + 21 12 0 + ns= 0 iss: + NZ_START= 2 NZ_END= 21 + IZ_SC= 0 + +Geometry of the virtual chain. + Res d Theta Gamma Dsc Alpha Beta +D 1 0.000 0.000 0.000 0.000 0.000 0.000 +ASN 2 3.800 0.000 0.000 1.684 0.000 0.000 +LEU 3 3.800 0.000 0.000 1.939 0.000 0.000 +TYR 4 3.800 0.000 0.000 2.484 0.000 0.000 +ILE 5 3.800 0.000 0.000 1.776 0.000 0.000 +GLN 6 3.800 0.000 0.000 2.240 0.000 0.000 +TRP 7 3.800 0.000 0.000 2.605 0.000 0.000 +LEU 8 3.800 0.000 0.000 1.939 0.000 0.000 +LYS 9 3.800 0.000 0.000 2.541 0.000 0.000 +ASP 10 3.800 0.000 0.000 1.709 0.000 0.000 +GLY 11 3.800 0.000 0.000 0.000 0.000 0.000 +GLY 12 3.800 0.000 0.000 0.000 0.000 0.000 +PRO 13 3.800 0.000 0.000 1.345 0.000 0.000 +SER 14 3.800 0.000 0.000 1.150 0.000 0.000 +SER 15 3.800 0.000 0.000 1.150 0.000 0.000 +GLY 16 3.800 0.000 0.000 0.000 0.000 0.000 +ARG 17 3.800 0.000 0.000 3.020 0.000 0.000 +PRO 18 3.800 0.000 0.000 1.345 0.000 0.000 +PRO 19 3.800 0.000 0.000 1.345 0.000 0.000 +PRO 20 3.800 0.000 0.000 1.345 0.000 0.000 +SER 21 3.800 0.000 0.000 1.150 0.000 0.000 +D 22 3.800 0.000 0.000 0.000 0.000 0.000 + + +******************************************************************************** + Processor 26: end reading molecular data. +******************************************************************************** + + +CSA calculations calculation. + +Conformations will be energy-minimized. +******************************************************************************** + +Waiting for 0.4258 sec +Waiting for 0.9570 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0273 sec +Waiting for 0.0039 sec + Finishing minim_jlee - signal 0 from master +Waiting for 0.6836 sec +Waiting for 0.0312 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0195 sec +Waiting for 0.0000 sec +Waiting for 0.0273 sec +Waiting for 0.5000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.5234 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3203 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0078 sec +Waiting for 0.0000 sec +Waiting for 0.5117 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2070 sec +Waiting for 0.0195 sec +Waiting for 0.0820 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 1.0664 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0469 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2344 sec +Waiting for 0.0195 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3555 sec +Waiting for 0.0156 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.6445 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 1.4297 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0391 sec +Waiting for 0.0000 sec +Waiting for 0.3281 sec +Waiting for 0.0117 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3281 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.4688 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2969 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2969 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2461 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.1602 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3047 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3594 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.5938 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3828 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3359 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2344 sec +Waiting for 0.0156 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.4297 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 1.1562 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.3242 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.3164 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.3086 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3828 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.2695 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.4727 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.4180 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3438 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3594 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3438 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0039 sec +Waiting for 0.0039 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.3789 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.3906 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2930 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2344 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3086 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3438 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3086 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3906 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 1.0156 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3203 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.4688 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3477 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.4766 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.3477 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0039 sec +Waiting for 0.9844 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3477 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3555 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2500 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3672 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3867 sec + Finishing minim_jlee - signal 0 from master + End of minim, proc 26 time 67.8203125000000 +CG processor 26 is finishing work. + Total wall clock time 74.3671875000000 sec diff --git a/examples/unres/CSA/GAB/CSA/local/1l2y_csa.out_GB027 b/examples/unres/CSA/GAB/CSA/local/1l2y_csa.out_GB027 new file mode 100644 index 0000000..2635a39 --- /dev/null +++ b/examples/unres/CSA/GAB/CSA/local/1l2y_csa.out_GB027 @@ -0,0 +1,567 @@ +******************************************************************************** +United-residue force field calculation - parallel job. +******************************************************************************** + MPI: node= 27 iseed= -85672803 + ran_num 0.665064755358443 +RMSDBC = 3.0 +RMSDBC1 = 0.5 +RMSDBC1MAX = 1.5 +DRMS = 0.1 +RMSDBCM = 3.0 +Time limit (min): 960.0 + RESCALE_MODE 0 +Library routine used to diagonalize matrices. + +******************************************************************************** + Options in energy minimization: +******************************************************************************** +MaxMin: 3000 MaxFun: 1000MinMin: 3000 MinFun: 3000 TolF: 1.00000E-02 RTolF: 1.00000E-04 + NCONF_IN 0 + +Energy-term weights (unscaled): + +WSCC= 1.352790 (SC-SC) +WSCP= 1.593040 (SC-p) +WELEC= 0.715340 (p-p electr) +WVDWPP= 0.113710 (p-p VDW) +WBOND= 1.000000 (stretching) +WANG= 1.138730 (bending) +WSCLOC= 0.162580 (SC local) +WTOR= 1.985990 (torsional) +WTORD= 1.570690 (double torsional) +WSTRAIN= 1.000000 (SS bridges & dist. cnstr.) +WEL_LOC= 0.160360 (multi-body 3-rd order) +WCORR4= 0.428870 (multi-body 4th order) +WCORR5= 0.000000 (multi-body 5th order) +WCORR6= 0.000000 (multi-body 6th order) +WSCCOR= 0.000000 (back-scloc correlation) +WTURN3= 1.687220 (turns, 3rd order) +WTURN4= 0.662300 (turns, 4th order) +WTURN6= 0.000000 (turns, 6th order) +WDFA_D= 0.000000 (DFA, distance) +WDFA_T= 0.000000 (DFA, torsional) +WDFA_N= 0.000000 (DFA, number of neighbor) +WDFA_B= 0.000000 (DFA, beta formation) + +Hydrogen-bonding correlation between contact pairs of peptide groups + +Scaling factor of 1,4 SC-p interactions: 0.400 +General scaling factor of SC-p interactions: 1.000 + +Energy-term weights (scaled): + +WSCC= 1.352790 (SC-SC) +WSCP= 1.593040 (SC-p) +WELEC= 0.715340 (p-p electr) +WVDWPP= 0.113710 (p-p VDW) +WBOND= 1.000000 (stretching) +WANG= 1.138730 (bending) +WSCLOC= 0.162580 (SC local) +WTOR= 1.985990 (torsional) +WTORD= 1.570690 (double torsional) +WSTRAIN= 1.000000 (SS bridges & dist. cnstr.) +WEL_LOC= 0.160360 (multi-body 3-rd order) +WCORR4= 0.428870 (multi-body 4th order) +WCORR5= 0.000000 (multi-body 5th order) +WCORR6= 0.000000 (multi-body 6th order) +WSCCOR= 0.000000 (back-scloc correlatkion) +WTURN3= 1.687220 (turns, 3rd order) +WTURN4= 0.662300 (turns, 4th order) +WTURN6= 0.000000 (turns, 6th order) +WDFA_D= 0.000000 (DFA, distance) +WDFA_T= 0.000000 (DFA, torsional) +WDFA_N= 0.000000 (DFA, number of neighbor) +WDFA_B= 0.000000 (DFA, beta formation) + Reference temperature for weights calculation: 300.000000000000 + Parameters of the SS-bond potential: + D0CM 3.78000000000000 AKCM 15.1000000000000 AKTH + 11.0000000000000 AKCT 12.0000000000000 + V1SS -1.08000000000000 V2SS 7.61000000000000 V3SS + 13.7000000000000 + EBR -5.50000000000000 + ITEL + 1 21 0 + 2 14 1 + 3 5 1 + 4 8 1 + 5 4 1 + 6 13 1 + 7 7 1 + 8 5 1 + 9 19 1 + 10 16 1 + 11 10 1 + 12 10 2 + 13 20 1 + 14 12 1 + 15 12 1 + 16 10 1 + 17 18 2 + 18 20 2 + 19 20 2 + 20 20 1 + 21 12 0 + ns= 0 iss: + NZ_START= 2 NZ_END= 21 + IZ_SC= 0 + +Geometry of the virtual chain. + Res d Theta Gamma Dsc Alpha Beta +D 1 0.000 0.000 0.000 0.000 0.000 0.000 +ASN 2 3.800 0.000 0.000 1.684 0.000 0.000 +LEU 3 3.800 0.000 0.000 1.939 0.000 0.000 +TYR 4 3.800 0.000 0.000 2.484 0.000 0.000 +ILE 5 3.800 0.000 0.000 1.776 0.000 0.000 +GLN 6 3.800 0.000 0.000 2.240 0.000 0.000 +TRP 7 3.800 0.000 0.000 2.605 0.000 0.000 +LEU 8 3.800 0.000 0.000 1.939 0.000 0.000 +LYS 9 3.800 0.000 0.000 2.541 0.000 0.000 +ASP 10 3.800 0.000 0.000 1.709 0.000 0.000 +GLY 11 3.800 0.000 0.000 0.000 0.000 0.000 +GLY 12 3.800 0.000 0.000 0.000 0.000 0.000 +PRO 13 3.800 0.000 0.000 1.345 0.000 0.000 +SER 14 3.800 0.000 0.000 1.150 0.000 0.000 +SER 15 3.800 0.000 0.000 1.150 0.000 0.000 +GLY 16 3.800 0.000 0.000 0.000 0.000 0.000 +ARG 17 3.800 0.000 0.000 3.020 0.000 0.000 +PRO 18 3.800 0.000 0.000 1.345 0.000 0.000 +PRO 19 3.800 0.000 0.000 1.345 0.000 0.000 +PRO 20 3.800 0.000 0.000 1.345 0.000 0.000 +SER 21 3.800 0.000 0.000 1.150 0.000 0.000 +D 22 3.800 0.000 0.000 0.000 0.000 0.000 + + +******************************************************************************** + Processor 27: end reading molecular data. +******************************************************************************** + + +CSA calculations calculation. + +Conformations will be energy-minimized. +******************************************************************************** + +Waiting for 0.4297 sec +Waiting for 0.9023 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0508 sec +Waiting for 0.0000 sec + Finishing minim_jlee - signal 0 from master +Waiting for 0.6797 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0078 sec +Waiting for 0.0000 sec +Waiting for 0.0469 sec +Waiting for 0.4961 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.4766 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3477 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.5078 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3359 sec +Waiting for 0.0586 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 1.1055 sec +Waiting for 0.0273 sec +Waiting for 0.0000 sec +Waiting for 0.0195 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3594 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2617 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.7383 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 1.4258 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0078 sec +Waiting for 0.0312 sec +Waiting for 0.3555 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0078 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3125 sec +Waiting for 0.0000 sec +Waiting for 0.0664 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.4844 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2969 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0039 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2656 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2539 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2383 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3203 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.2812 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.5664 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3516 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3477 sec +Waiting for 0.0000 sec +Waiting for 0.0078 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3516 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.4570 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 1.1758 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3203 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.4023 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2344 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.3516 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2109 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.5000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.4297 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3789 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3516 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3125 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.3789 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.3516 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0039 sec +Waiting for 0.3125 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2734 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3398 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2539 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2422 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3281 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.9531 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3984 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.4844 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3438 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3828 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3086 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.9922 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3555 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3789 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3164 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3828 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.4102 sec + Finishing minim_jlee - signal 0 from master + End of minim, proc 27 time 67.8203125000000 +CG processor 27 is finishing work. + Total wall clock time 74.3632812500000 sec diff --git a/examples/unres/CSA/GAB/CSA/local/1l2y_csa.out_GB028 b/examples/unres/CSA/GAB/CSA/local/1l2y_csa.out_GB028 new file mode 100644 index 0000000..b1e7fe4 --- /dev/null +++ b/examples/unres/CSA/GAB/CSA/local/1l2y_csa.out_GB028 @@ -0,0 +1,541 @@ +******************************************************************************** +United-residue force field calculation - parallel job. +******************************************************************************** + MPI: node= 28 iseed= -88732546 + ran_num 0.938817001211222 +RMSDBC = 3.0 +RMSDBC1 = 0.5 +RMSDBC1MAX = 1.5 +DRMS = 0.1 +RMSDBCM = 3.0 +Time limit (min): 960.0 + RESCALE_MODE 0 +Library routine used to diagonalize matrices. + +******************************************************************************** + Options in energy minimization: +******************************************************************************** +MaxMin: 3000 MaxFun: 1000MinMin: 3000 MinFun: 3000 TolF: 1.00000E-02 RTolF: 1.00000E-04 + NCONF_IN 0 + +Energy-term weights (unscaled): + +WSCC= 1.352790 (SC-SC) +WSCP= 1.593040 (SC-p) +WELEC= 0.715340 (p-p electr) +WVDWPP= 0.113710 (p-p VDW) +WBOND= 1.000000 (stretching) +WANG= 1.138730 (bending) +WSCLOC= 0.162580 (SC local) +WTOR= 1.985990 (torsional) +WTORD= 1.570690 (double torsional) +WSTRAIN= 1.000000 (SS bridges & dist. cnstr.) +WEL_LOC= 0.160360 (multi-body 3-rd order) +WCORR4= 0.428870 (multi-body 4th order) +WCORR5= 0.000000 (multi-body 5th order) +WCORR6= 0.000000 (multi-body 6th order) +WSCCOR= 0.000000 (back-scloc correlation) +WTURN3= 1.687220 (turns, 3rd order) +WTURN4= 0.662300 (turns, 4th order) +WTURN6= 0.000000 (turns, 6th order) +WDFA_D= 0.000000 (DFA, distance) +WDFA_T= 0.000000 (DFA, torsional) +WDFA_N= 0.000000 (DFA, number of neighbor) +WDFA_B= 0.000000 (DFA, beta formation) + +Hydrogen-bonding correlation between contact pairs of peptide groups + +Scaling factor of 1,4 SC-p interactions: 0.400 +General scaling factor of SC-p interactions: 1.000 + +Energy-term weights (scaled): + +WSCC= 1.352790 (SC-SC) +WSCP= 1.593040 (SC-p) +WELEC= 0.715340 (p-p electr) +WVDWPP= 0.113710 (p-p VDW) +WBOND= 1.000000 (stretching) +WANG= 1.138730 (bending) +WSCLOC= 0.162580 (SC local) +WTOR= 1.985990 (torsional) +WTORD= 1.570690 (double torsional) +WSTRAIN= 1.000000 (SS bridges & dist. cnstr.) +WEL_LOC= 0.160360 (multi-body 3-rd order) +WCORR4= 0.428870 (multi-body 4th order) +WCORR5= 0.000000 (multi-body 5th order) +WCORR6= 0.000000 (multi-body 6th order) +WSCCOR= 0.000000 (back-scloc correlatkion) +WTURN3= 1.687220 (turns, 3rd order) +WTURN4= 0.662300 (turns, 4th order) +WTURN6= 0.000000 (turns, 6th order) +WDFA_D= 0.000000 (DFA, distance) +WDFA_T= 0.000000 (DFA, torsional) +WDFA_N= 0.000000 (DFA, number of neighbor) +WDFA_B= 0.000000 (DFA, beta formation) + Reference temperature for weights calculation: 300.000000000000 + Parameters of the SS-bond potential: + D0CM 3.78000000000000 AKCM 15.1000000000000 AKTH + 11.0000000000000 AKCT 12.0000000000000 + V1SS -1.08000000000000 V2SS 7.61000000000000 V3SS + 13.7000000000000 + EBR -5.50000000000000 + ITEL + 1 21 0 + 2 14 1 + 3 5 1 + 4 8 1 + 5 4 1 + 6 13 1 + 7 7 1 + 8 5 1 + 9 19 1 + 10 16 1 + 11 10 1 + 12 10 2 + 13 20 1 + 14 12 1 + 15 12 1 + 16 10 1 + 17 18 2 + 18 20 2 + 19 20 2 + 20 20 1 + 21 12 0 + ns= 0 iss: + NZ_START= 2 NZ_END= 21 + IZ_SC= 0 + +Geometry of the virtual chain. + Res d Theta Gamma Dsc Alpha Beta +D 1 0.000 0.000 0.000 0.000 0.000 0.000 +ASN 2 3.800 0.000 0.000 1.684 0.000 0.000 +LEU 3 3.800 0.000 0.000 1.939 0.000 0.000 +TYR 4 3.800 0.000 0.000 2.484 0.000 0.000 +ILE 5 3.800 0.000 0.000 1.776 0.000 0.000 +GLN 6 3.800 0.000 0.000 2.240 0.000 0.000 +TRP 7 3.800 0.000 0.000 2.605 0.000 0.000 +LEU 8 3.800 0.000 0.000 1.939 0.000 0.000 +LYS 9 3.800 0.000 0.000 2.541 0.000 0.000 +ASP 10 3.800 0.000 0.000 1.709 0.000 0.000 +GLY 11 3.800 0.000 0.000 0.000 0.000 0.000 +GLY 12 3.800 0.000 0.000 0.000 0.000 0.000 +PRO 13 3.800 0.000 0.000 1.345 0.000 0.000 +SER 14 3.800 0.000 0.000 1.150 0.000 0.000 +SER 15 3.800 0.000 0.000 1.150 0.000 0.000 +GLY 16 3.800 0.000 0.000 0.000 0.000 0.000 +ARG 17 3.800 0.000 0.000 3.020 0.000 0.000 +PRO 18 3.800 0.000 0.000 1.345 0.000 0.000 +PRO 19 3.800 0.000 0.000 1.345 0.000 0.000 +PRO 20 3.800 0.000 0.000 1.345 0.000 0.000 +SER 21 3.800 0.000 0.000 1.150 0.000 0.000 +D 22 3.800 0.000 0.000 0.000 0.000 0.000 + + +******************************************************************************** + Processor 28: end reading molecular data. +******************************************************************************** + + +CSA calculations calculation. + +Conformations will be energy-minimized. +******************************************************************************** + +Waiting for 0.4453 sec +Waiting for 1.0898 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec + Finishing minim_jlee - signal 0 from master +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.5078 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0078 sec +Waiting for 0.0000 sec +Waiting for 0.2812 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.4336 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3438 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0234 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 1.0977 sec +Waiting for 0.0039 sec +Waiting for 0.0195 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0273 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.4414 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2695 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.7617 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 1.4141 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.3477 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3398 sec +Waiting for 0.0508 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.4688 sec +Waiting for 0.0000 sec +Waiting for 0.0078 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2734 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3281 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2695 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3125 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3398 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3398 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.4883 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.3203 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0039 sec +Waiting for 0.3516 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3945 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.4453 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 1.1719 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3203 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3789 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3125 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0039 sec +Waiting for 0.2695 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.2812 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.4570 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3203 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.3828 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.3164 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3164 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3516 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3086 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2852 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.1836 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3281 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3086 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.3008 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2305 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 1.0078 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3867 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.4727 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2734 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.4766 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3672 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.9688 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.3672 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3125 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.3320 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3711 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3906 sec + Finishing minim_jlee - signal 0 from master + End of minim, proc 28 time 64.7578125000000 +CG processor 28 is finishing work. + Total wall clock time 74.7031250000000 sec diff --git a/examples/unres/CSA/GAB/CSA/local/1l2y_csa.out_GB029 b/examples/unres/CSA/GAB/CSA/local/1l2y_csa.out_GB029 new file mode 100644 index 0000000..f372a92 --- /dev/null +++ b/examples/unres/CSA/GAB/CSA/local/1l2y_csa.out_GB029 @@ -0,0 +1,544 @@ +******************************************************************************** +United-residue force field calculation - parallel job. +******************************************************************************** + MPI: node= 29 iseed= -91792289 + ran_num 0.212569247064002 +RMSDBC = 3.0 +RMSDBC1 = 0.5 +RMSDBC1MAX = 1.5 +DRMS = 0.1 +RMSDBCM = 3.0 +Time limit (min): 960.0 + RESCALE_MODE 0 +Library routine used to diagonalize matrices. + +******************************************************************************** + Options in energy minimization: +******************************************************************************** +MaxMin: 3000 MaxFun: 1000MinMin: 3000 MinFun: 3000 TolF: 1.00000E-02 RTolF: 1.00000E-04 + NCONF_IN 0 + +Energy-term weights (unscaled): + +WSCC= 1.352790 (SC-SC) +WSCP= 1.593040 (SC-p) +WELEC= 0.715340 (p-p electr) +WVDWPP= 0.113710 (p-p VDW) +WBOND= 1.000000 (stretching) +WANG= 1.138730 (bending) +WSCLOC= 0.162580 (SC local) +WTOR= 1.985990 (torsional) +WTORD= 1.570690 (double torsional) +WSTRAIN= 1.000000 (SS bridges & dist. cnstr.) +WEL_LOC= 0.160360 (multi-body 3-rd order) +WCORR4= 0.428870 (multi-body 4th order) +WCORR5= 0.000000 (multi-body 5th order) +WCORR6= 0.000000 (multi-body 6th order) +WSCCOR= 0.000000 (back-scloc correlation) +WTURN3= 1.687220 (turns, 3rd order) +WTURN4= 0.662300 (turns, 4th order) +WTURN6= 0.000000 (turns, 6th order) +WDFA_D= 0.000000 (DFA, distance) +WDFA_T= 0.000000 (DFA, torsional) +WDFA_N= 0.000000 (DFA, number of neighbor) +WDFA_B= 0.000000 (DFA, beta formation) + +Hydrogen-bonding correlation between contact pairs of peptide groups + +Scaling factor of 1,4 SC-p interactions: 0.400 +General scaling factor of SC-p interactions: 1.000 + +Energy-term weights (scaled): + +WSCC= 1.352790 (SC-SC) +WSCP= 1.593040 (SC-p) +WELEC= 0.715340 (p-p electr) +WVDWPP= 0.113710 (p-p VDW) +WBOND= 1.000000 (stretching) +WANG= 1.138730 (bending) +WSCLOC= 0.162580 (SC local) +WTOR= 1.985990 (torsional) +WTORD= 1.570690 (double torsional) +WSTRAIN= 1.000000 (SS bridges & dist. cnstr.) +WEL_LOC= 0.160360 (multi-body 3-rd order) +WCORR4= 0.428870 (multi-body 4th order) +WCORR5= 0.000000 (multi-body 5th order) +WCORR6= 0.000000 (multi-body 6th order) +WSCCOR= 0.000000 (back-scloc correlatkion) +WTURN3= 1.687220 (turns, 3rd order) +WTURN4= 0.662300 (turns, 4th order) +WTURN6= 0.000000 (turns, 6th order) +WDFA_D= 0.000000 (DFA, distance) +WDFA_T= 0.000000 (DFA, torsional) +WDFA_N= 0.000000 (DFA, number of neighbor) +WDFA_B= 0.000000 (DFA, beta formation) + Reference temperature for weights calculation: 300.000000000000 + Parameters of the SS-bond potential: + D0CM 3.78000000000000 AKCM 15.1000000000000 AKTH + 11.0000000000000 AKCT 12.0000000000000 + V1SS -1.08000000000000 V2SS 7.61000000000000 V3SS + 13.7000000000000 + EBR -5.50000000000000 + ITEL + 1 21 0 + 2 14 1 + 3 5 1 + 4 8 1 + 5 4 1 + 6 13 1 + 7 7 1 + 8 5 1 + 9 19 1 + 10 16 1 + 11 10 1 + 12 10 2 + 13 20 1 + 14 12 1 + 15 12 1 + 16 10 1 + 17 18 2 + 18 20 2 + 19 20 2 + 20 20 1 + 21 12 0 + ns= 0 iss: + NZ_START= 2 NZ_END= 21 + IZ_SC= 0 + +Geometry of the virtual chain. + Res d Theta Gamma Dsc Alpha Beta +D 1 0.000 0.000 0.000 0.000 0.000 0.000 +ASN 2 3.800 0.000 0.000 1.684 0.000 0.000 +LEU 3 3.800 0.000 0.000 1.939 0.000 0.000 +TYR 4 3.800 0.000 0.000 2.484 0.000 0.000 +ILE 5 3.800 0.000 0.000 1.776 0.000 0.000 +GLN 6 3.800 0.000 0.000 2.240 0.000 0.000 +TRP 7 3.800 0.000 0.000 2.605 0.000 0.000 +LEU 8 3.800 0.000 0.000 1.939 0.000 0.000 +LYS 9 3.800 0.000 0.000 2.541 0.000 0.000 +ASP 10 3.800 0.000 0.000 1.709 0.000 0.000 +GLY 11 3.800 0.000 0.000 0.000 0.000 0.000 +GLY 12 3.800 0.000 0.000 0.000 0.000 0.000 +PRO 13 3.800 0.000 0.000 1.345 0.000 0.000 +SER 14 3.800 0.000 0.000 1.150 0.000 0.000 +SER 15 3.800 0.000 0.000 1.150 0.000 0.000 +GLY 16 3.800 0.000 0.000 0.000 0.000 0.000 +ARG 17 3.800 0.000 0.000 3.020 0.000 0.000 +PRO 18 3.800 0.000 0.000 1.345 0.000 0.000 +PRO 19 3.800 0.000 0.000 1.345 0.000 0.000 +PRO 20 3.800 0.000 0.000 1.345 0.000 0.000 +SER 21 3.800 0.000 0.000 1.150 0.000 0.000 +D 22 3.800 0.000 0.000 0.000 0.000 0.000 + + +******************************************************************************** + Processor 29: end reading molecular data. +******************************************************************************** + + +CSA calculations calculation. + +Conformations will be energy-minimized. +******************************************************************************** + +Waiting for 0.4453 sec +Waiting for 1.0664 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec + Finishing minim_jlee - signal 0 from master +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.4648 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3398 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.4883 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3203 sec +Waiting for 0.0703 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 1.0273 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.4141 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3398 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.6562 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 1.4023 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0391 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3555 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.3398 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0234 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.4805 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2852 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.2383 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2188 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3203 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2188 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2695 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.4570 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3203 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3281 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3281 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.4570 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 1.1758 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2109 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.4062 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2734 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3867 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3008 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.4961 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0039 sec +Waiting for 0.3984 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3828 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.3516 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3594 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3242 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3867 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.1914 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.3438 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3125 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3516 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2969 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3633 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.9062 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3945 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.5039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2461 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3828 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3477 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.9062 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3828 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3320 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.3438 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.4102 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0078 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.4023 sec + Finishing minim_jlee - signal 0 from master + End of minim, proc 29 time 64.7421875000000 +CG processor 29 is finishing work. + Total wall clock time 74.7031250000000 sec diff --git a/examples/unres/CSA/GAB/CSA/local/1l2y_csa.out_GB030 b/examples/unres/CSA/GAB/CSA/local/1l2y_csa.out_GB030 new file mode 100644 index 0000000..4c0d779 --- /dev/null +++ b/examples/unres/CSA/GAB/CSA/local/1l2y_csa.out_GB030 @@ -0,0 +1,554 @@ +******************************************************************************** +United-residue force field calculation - parallel job. +******************************************************************************** + MPI: node= 30 iseed= -94852032 + ran_num 0.486321492916781 +RMSDBC = 3.0 +RMSDBC1 = 0.5 +RMSDBC1MAX = 1.5 +DRMS = 0.1 +RMSDBCM = 3.0 +Time limit (min): 960.0 + RESCALE_MODE 0 +Library routine used to diagonalize matrices. + +******************************************************************************** + Options in energy minimization: +******************************************************************************** +MaxMin: 3000 MaxFun: 1000MinMin: 3000 MinFun: 3000 TolF: 1.00000E-02 RTolF: 1.00000E-04 + NCONF_IN 0 + +Energy-term weights (unscaled): + +WSCC= 1.352790 (SC-SC) +WSCP= 1.593040 (SC-p) +WELEC= 0.715340 (p-p electr) +WVDWPP= 0.113710 (p-p VDW) +WBOND= 1.000000 (stretching) +WANG= 1.138730 (bending) +WSCLOC= 0.162580 (SC local) +WTOR= 1.985990 (torsional) +WTORD= 1.570690 (double torsional) +WSTRAIN= 1.000000 (SS bridges & dist. cnstr.) +WEL_LOC= 0.160360 (multi-body 3-rd order) +WCORR4= 0.428870 (multi-body 4th order) +WCORR5= 0.000000 (multi-body 5th order) +WCORR6= 0.000000 (multi-body 6th order) +WSCCOR= 0.000000 (back-scloc correlation) +WTURN3= 1.687220 (turns, 3rd order) +WTURN4= 0.662300 (turns, 4th order) +WTURN6= 0.000000 (turns, 6th order) +WDFA_D= 0.000000 (DFA, distance) +WDFA_T= 0.000000 (DFA, torsional) +WDFA_N= 0.000000 (DFA, number of neighbor) +WDFA_B= 0.000000 (DFA, beta formation) + +Hydrogen-bonding correlation between contact pairs of peptide groups + +Scaling factor of 1,4 SC-p interactions: 0.400 +General scaling factor of SC-p interactions: 1.000 + +Energy-term weights (scaled): + +WSCC= 1.352790 (SC-SC) +WSCP= 1.593040 (SC-p) +WELEC= 0.715340 (p-p electr) +WVDWPP= 0.113710 (p-p VDW) +WBOND= 1.000000 (stretching) +WANG= 1.138730 (bending) +WSCLOC= 0.162580 (SC local) +WTOR= 1.985990 (torsional) +WTORD= 1.570690 (double torsional) +WSTRAIN= 1.000000 (SS bridges & dist. cnstr.) +WEL_LOC= 0.160360 (multi-body 3-rd order) +WCORR4= 0.428870 (multi-body 4th order) +WCORR5= 0.000000 (multi-body 5th order) +WCORR6= 0.000000 (multi-body 6th order) +WSCCOR= 0.000000 (back-scloc correlatkion) +WTURN3= 1.687220 (turns, 3rd order) +WTURN4= 0.662300 (turns, 4th order) +WTURN6= 0.000000 (turns, 6th order) +WDFA_D= 0.000000 (DFA, distance) +WDFA_T= 0.000000 (DFA, torsional) +WDFA_N= 0.000000 (DFA, number of neighbor) +WDFA_B= 0.000000 (DFA, beta formation) + Reference temperature for weights calculation: 300.000000000000 + Parameters of the SS-bond potential: + D0CM 3.78000000000000 AKCM 15.1000000000000 AKTH + 11.0000000000000 AKCT 12.0000000000000 + V1SS -1.08000000000000 V2SS 7.61000000000000 V3SS + 13.7000000000000 + EBR -5.50000000000000 + ITEL + 1 21 0 + 2 14 1 + 3 5 1 + 4 8 1 + 5 4 1 + 6 13 1 + 7 7 1 + 8 5 1 + 9 19 1 + 10 16 1 + 11 10 1 + 12 10 2 + 13 20 1 + 14 12 1 + 15 12 1 + 16 10 1 + 17 18 2 + 18 20 2 + 19 20 2 + 20 20 1 + 21 12 0 + ns= 0 iss: + NZ_START= 2 NZ_END= 21 + IZ_SC= 0 + +Geometry of the virtual chain. + Res d Theta Gamma Dsc Alpha Beta +D 1 0.000 0.000 0.000 0.000 0.000 0.000 +ASN 2 3.800 0.000 0.000 1.684 0.000 0.000 +LEU 3 3.800 0.000 0.000 1.939 0.000 0.000 +TYR 4 3.800 0.000 0.000 2.484 0.000 0.000 +ILE 5 3.800 0.000 0.000 1.776 0.000 0.000 +GLN 6 3.800 0.000 0.000 2.240 0.000 0.000 +TRP 7 3.800 0.000 0.000 2.605 0.000 0.000 +LEU 8 3.800 0.000 0.000 1.939 0.000 0.000 +LYS 9 3.800 0.000 0.000 2.541 0.000 0.000 +ASP 10 3.800 0.000 0.000 1.709 0.000 0.000 +GLY 11 3.800 0.000 0.000 0.000 0.000 0.000 +GLY 12 3.800 0.000 0.000 0.000 0.000 0.000 +PRO 13 3.800 0.000 0.000 1.345 0.000 0.000 +SER 14 3.800 0.000 0.000 1.150 0.000 0.000 +SER 15 3.800 0.000 0.000 1.150 0.000 0.000 +GLY 16 3.800 0.000 0.000 0.000 0.000 0.000 +ARG 17 3.800 0.000 0.000 3.020 0.000 0.000 +PRO 18 3.800 0.000 0.000 1.345 0.000 0.000 +PRO 19 3.800 0.000 0.000 1.345 0.000 0.000 +PRO 20 3.800 0.000 0.000 1.345 0.000 0.000 +SER 21 3.800 0.000 0.000 1.150 0.000 0.000 +D 22 3.800 0.000 0.000 0.000 0.000 0.000 + + +******************************************************************************** + Processor 30: end reading molecular data. +******************************************************************************** + + +CSA calculations calculation. + +Conformations will be energy-minimized. +******************************************************************************** + +Waiting for 0.4453 sec +Waiting for 0.9922 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0273 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec + Finishing minim_jlee - signal 0 from master +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.4766 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3125 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.4375 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3398 sec +Waiting for 0.0430 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 1.1094 sec +Waiting for 0.0469 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0391 sec +Waiting for 0.0000 sec +Waiting for 0.4414 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3633 sec +Waiting for 0.0391 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.7617 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 1.3789 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0391 sec +Waiting for 0.2891 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3203 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3711 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2734 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2422 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.2695 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2852 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2695 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.3359 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.5781 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.2969 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3281 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3438 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.4492 sec +Waiting for 0.0156 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 1.1445 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.3320 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3359 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3125 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.3867 sec +Waiting for 0.0000 sec +Waiting for 0.0469 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2969 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.5195 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.4180 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3867 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3438 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3281 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3516 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3867 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.1484 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2734 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.3359 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.3594 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.3164 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3242 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.9141 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.3633 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.4805 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3359 sec +Waiting for 0.0039 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.4492 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2383 sec +Waiting for 0.0312 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.9141 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3203 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3164 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.3203 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.4023 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3320 sec + Finishing minim_jlee - signal 0 from master + End of minim, proc 30 time 64.8359375000000 +CG processor 30 is finishing work. + Total wall clock time 74.7031250000000 sec diff --git a/examples/unres/CSA/GAB/CSA/local/1l2y_csa.out_GB031 b/examples/unres/CSA/GAB/CSA/local/1l2y_csa.out_GB031 new file mode 100644 index 0000000..42723df --- /dev/null +++ b/examples/unres/CSA/GAB/CSA/local/1l2y_csa.out_GB031 @@ -0,0 +1,552 @@ +******************************************************************************** +United-residue force field calculation - parallel job. +******************************************************************************** + MPI: node= 31 iseed= -97911775 + ran_num 0.760073738769561 +RMSDBC = 3.0 +RMSDBC1 = 0.5 +RMSDBC1MAX = 1.5 +DRMS = 0.1 +RMSDBCM = 3.0 +Time limit (min): 960.0 + RESCALE_MODE 0 +Library routine used to diagonalize matrices. + +******************************************************************************** + Options in energy minimization: +******************************************************************************** +MaxMin: 3000 MaxFun: 1000MinMin: 3000 MinFun: 3000 TolF: 1.00000E-02 RTolF: 1.00000E-04 + NCONF_IN 0 + +Energy-term weights (unscaled): + +WSCC= 1.352790 (SC-SC) +WSCP= 1.593040 (SC-p) +WELEC= 0.715340 (p-p electr) +WVDWPP= 0.113710 (p-p VDW) +WBOND= 1.000000 (stretching) +WANG= 1.138730 (bending) +WSCLOC= 0.162580 (SC local) +WTOR= 1.985990 (torsional) +WTORD= 1.570690 (double torsional) +WSTRAIN= 1.000000 (SS bridges & dist. cnstr.) +WEL_LOC= 0.160360 (multi-body 3-rd order) +WCORR4= 0.428870 (multi-body 4th order) +WCORR5= 0.000000 (multi-body 5th order) +WCORR6= 0.000000 (multi-body 6th order) +WSCCOR= 0.000000 (back-scloc correlation) +WTURN3= 1.687220 (turns, 3rd order) +WTURN4= 0.662300 (turns, 4th order) +WTURN6= 0.000000 (turns, 6th order) +WDFA_D= 0.000000 (DFA, distance) +WDFA_T= 0.000000 (DFA, torsional) +WDFA_N= 0.000000 (DFA, number of neighbor) +WDFA_B= 0.000000 (DFA, beta formation) + +Hydrogen-bonding correlation between contact pairs of peptide groups + +Scaling factor of 1,4 SC-p interactions: 0.400 +General scaling factor of SC-p interactions: 1.000 + +Energy-term weights (scaled): + +WSCC= 1.352790 (SC-SC) +WSCP= 1.593040 (SC-p) +WELEC= 0.715340 (p-p electr) +WVDWPP= 0.113710 (p-p VDW) +WBOND= 1.000000 (stretching) +WANG= 1.138730 (bending) +WSCLOC= 0.162580 (SC local) +WTOR= 1.985990 (torsional) +WTORD= 1.570690 (double torsional) +WSTRAIN= 1.000000 (SS bridges & dist. cnstr.) +WEL_LOC= 0.160360 (multi-body 3-rd order) +WCORR4= 0.428870 (multi-body 4th order) +WCORR5= 0.000000 (multi-body 5th order) +WCORR6= 0.000000 (multi-body 6th order) +WSCCOR= 0.000000 (back-scloc correlatkion) +WTURN3= 1.687220 (turns, 3rd order) +WTURN4= 0.662300 (turns, 4th order) +WTURN6= 0.000000 (turns, 6th order) +WDFA_D= 0.000000 (DFA, distance) +WDFA_T= 0.000000 (DFA, torsional) +WDFA_N= 0.000000 (DFA, number of neighbor) +WDFA_B= 0.000000 (DFA, beta formation) + Reference temperature for weights calculation: 300.000000000000 + Parameters of the SS-bond potential: + D0CM 3.78000000000000 AKCM 15.1000000000000 AKTH + 11.0000000000000 AKCT 12.0000000000000 + V1SS -1.08000000000000 V2SS 7.61000000000000 V3SS + 13.7000000000000 + EBR -5.50000000000000 + ITEL + 1 21 0 + 2 14 1 + 3 5 1 + 4 8 1 + 5 4 1 + 6 13 1 + 7 7 1 + 8 5 1 + 9 19 1 + 10 16 1 + 11 10 1 + 12 10 2 + 13 20 1 + 14 12 1 + 15 12 1 + 16 10 1 + 17 18 2 + 18 20 2 + 19 20 2 + 20 20 1 + 21 12 0 + ns= 0 iss: + NZ_START= 2 NZ_END= 21 + IZ_SC= 0 + +Geometry of the virtual chain. + Res d Theta Gamma Dsc Alpha Beta +D 1 0.000 0.000 0.000 0.000 0.000 0.000 +ASN 2 3.800 0.000 0.000 1.684 0.000 0.000 +LEU 3 3.800 0.000 0.000 1.939 0.000 0.000 +TYR 4 3.800 0.000 0.000 2.484 0.000 0.000 +ILE 5 3.800 0.000 0.000 1.776 0.000 0.000 +GLN 6 3.800 0.000 0.000 2.240 0.000 0.000 +TRP 7 3.800 0.000 0.000 2.605 0.000 0.000 +LEU 8 3.800 0.000 0.000 1.939 0.000 0.000 +LYS 9 3.800 0.000 0.000 2.541 0.000 0.000 +ASP 10 3.800 0.000 0.000 1.709 0.000 0.000 +GLY 11 3.800 0.000 0.000 0.000 0.000 0.000 +GLY 12 3.800 0.000 0.000 0.000 0.000 0.000 +PRO 13 3.800 0.000 0.000 1.345 0.000 0.000 +SER 14 3.800 0.000 0.000 1.150 0.000 0.000 +SER 15 3.800 0.000 0.000 1.150 0.000 0.000 +GLY 16 3.800 0.000 0.000 0.000 0.000 0.000 +ARG 17 3.800 0.000 0.000 3.020 0.000 0.000 +PRO 18 3.800 0.000 0.000 1.345 0.000 0.000 +PRO 19 3.800 0.000 0.000 1.345 0.000 0.000 +PRO 20 3.800 0.000 0.000 1.345 0.000 0.000 +SER 21 3.800 0.000 0.000 1.150 0.000 0.000 +D 22 3.800 0.000 0.000 0.000 0.000 0.000 + + +******************************************************************************** + Processor 31: end reading molecular data. +******************************************************************************** + + +CSA calculations calculation. + +Conformations will be energy-minimized. +******************************************************************************** + +Waiting for 0.4453 sec +Waiting for 0.0039 sec +Waiting for 1.1758 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0156 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec + Finishing minim_jlee - signal 0 from master +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.4844 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3164 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3984 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.2930 sec +Waiting for 0.0195 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 1.0547 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.4375 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0078 sec +Waiting for 0.3398 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.7148 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 1.2930 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2539 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2578 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0078 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.5039 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.3047 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3242 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2969 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3359 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3242 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3281 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.4141 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2617 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0430 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3477 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3555 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.4609 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 1.1133 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3047 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3359 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2930 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3867 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3086 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.5156 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.4023 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3633 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.3398 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2734 sec +Waiting for 0.0000 sec +Waiting for 0.0078 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2891 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2969 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.1523 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3281 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3438 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3203 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3203 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3672 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.9727 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3945 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.5039 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2734 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.4883 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3047 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.9883 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.3945 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3320 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3125 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.3867 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.3594 sec + Finishing minim_jlee - signal 0 from master + End of minim, proc 31 time 64.8554687500000 +CG processor 31 is finishing work. + Total wall clock time 74.7031250000000 sec diff --git a/examples/unres/CSA/GAB/CSA/local/1l2y_csa.out_GB032 b/examples/unres/CSA/GAB/CSA/local/1l2y_csa.out_GB032 new file mode 100644 index 0000000..e9808ff --- /dev/null +++ b/examples/unres/CSA/GAB/CSA/local/1l2y_csa.out_GB032 @@ -0,0 +1,589 @@ +******************************************************************************** +United-residue force field calculation - parallel job. +******************************************************************************** + MPI: node= 32 iseed= -100971518 + ran_num 3.382598462234032E-002 +RMSDBC = 3.0 +RMSDBC1 = 0.5 +RMSDBC1MAX = 1.5 +DRMS = 0.1 +RMSDBCM = 3.0 +Time limit (min): 960.0 + RESCALE_MODE 0 +Library routine used to diagonalize matrices. + +******************************************************************************** + Options in energy minimization: +******************************************************************************** +MaxMin: 3000 MaxFun: 1000MinMin: 3000 MinFun: 3000 TolF: 1.00000E-02 RTolF: 1.00000E-04 + NCONF_IN 0 + +Energy-term weights (unscaled): + +WSCC= 1.352790 (SC-SC) +WSCP= 1.593040 (SC-p) +WELEC= 0.715340 (p-p electr) +WVDWPP= 0.113710 (p-p VDW) +WBOND= 1.000000 (stretching) +WANG= 1.138730 (bending) +WSCLOC= 0.162580 (SC local) +WTOR= 1.985990 (torsional) +WTORD= 1.570690 (double torsional) +WSTRAIN= 1.000000 (SS bridges & dist. cnstr.) +WEL_LOC= 0.160360 (multi-body 3-rd order) +WCORR4= 0.428870 (multi-body 4th order) +WCORR5= 0.000000 (multi-body 5th order) +WCORR6= 0.000000 (multi-body 6th order) +WSCCOR= 0.000000 (back-scloc correlation) +WTURN3= 1.687220 (turns, 3rd order) +WTURN4= 0.662300 (turns, 4th order) +WTURN6= 0.000000 (turns, 6th order) +WDFA_D= 0.000000 (DFA, distance) +WDFA_T= 0.000000 (DFA, torsional) +WDFA_N= 0.000000 (DFA, number of neighbor) +WDFA_B= 0.000000 (DFA, beta formation) + +Hydrogen-bonding correlation between contact pairs of peptide groups + +Scaling factor of 1,4 SC-p interactions: 0.400 +General scaling factor of SC-p interactions: 1.000 + +Energy-term weights (scaled): + +WSCC= 1.352790 (SC-SC) +WSCP= 1.593040 (SC-p) +WELEC= 0.715340 (p-p electr) +WVDWPP= 0.113710 (p-p VDW) +WBOND= 1.000000 (stretching) +WANG= 1.138730 (bending) +WSCLOC= 0.162580 (SC local) +WTOR= 1.985990 (torsional) +WTORD= 1.570690 (double torsional) +WSTRAIN= 1.000000 (SS bridges & dist. cnstr.) +WEL_LOC= 0.160360 (multi-body 3-rd order) +WCORR4= 0.428870 (multi-body 4th order) +WCORR5= 0.000000 (multi-body 5th order) +WCORR6= 0.000000 (multi-body 6th order) +WSCCOR= 0.000000 (back-scloc correlatkion) +WTURN3= 1.687220 (turns, 3rd order) +WTURN4= 0.662300 (turns, 4th order) +WTURN6= 0.000000 (turns, 6th order) +WDFA_D= 0.000000 (DFA, distance) +WDFA_T= 0.000000 (DFA, torsional) +WDFA_N= 0.000000 (DFA, number of neighbor) +WDFA_B= 0.000000 (DFA, beta formation) + Reference temperature for weights calculation: 300.000000000000 + Parameters of the SS-bond potential: + D0CM 3.78000000000000 AKCM 15.1000000000000 AKTH + 11.0000000000000 AKCT 12.0000000000000 + V1SS -1.08000000000000 V2SS 7.61000000000000 V3SS + 13.7000000000000 + EBR -5.50000000000000 + ITEL + 1 21 0 + 2 14 1 + 3 5 1 + 4 8 1 + 5 4 1 + 6 13 1 + 7 7 1 + 8 5 1 + 9 19 1 + 10 16 1 + 11 10 1 + 12 10 2 + 13 20 1 + 14 12 1 + 15 12 1 + 16 10 1 + 17 18 2 + 18 20 2 + 19 20 2 + 20 20 1 + 21 12 0 + ns= 0 iss: + NZ_START= 2 NZ_END= 21 + IZ_SC= 0 + +Geometry of the virtual chain. + Res d Theta Gamma Dsc Alpha Beta +D 1 0.000 0.000 0.000 0.000 0.000 0.000 +ASN 2 3.800 0.000 0.000 1.684 0.000 0.000 +LEU 3 3.800 0.000 0.000 1.939 0.000 0.000 +TYR 4 3.800 0.000 0.000 2.484 0.000 0.000 +ILE 5 3.800 0.000 0.000 1.776 0.000 0.000 +GLN 6 3.800 0.000 0.000 2.240 0.000 0.000 +TRP 7 3.800 0.000 0.000 2.605 0.000 0.000 +LEU 8 3.800 0.000 0.000 1.939 0.000 0.000 +LYS 9 3.800 0.000 0.000 2.541 0.000 0.000 +ASP 10 3.800 0.000 0.000 1.709 0.000 0.000 +GLY 11 3.800 0.000 0.000 0.000 0.000 0.000 +GLY 12 3.800 0.000 0.000 0.000 0.000 0.000 +PRO 13 3.800 0.000 0.000 1.345 0.000 0.000 +SER 14 3.800 0.000 0.000 1.150 0.000 0.000 +SER 15 3.800 0.000 0.000 1.150 0.000 0.000 +GLY 16 3.800 0.000 0.000 0.000 0.000 0.000 +ARG 17 3.800 0.000 0.000 3.020 0.000 0.000 +PRO 18 3.800 0.000 0.000 1.345 0.000 0.000 +PRO 19 3.800 0.000 0.000 1.345 0.000 0.000 +PRO 20 3.800 0.000 0.000 1.345 0.000 0.000 +SER 21 3.800 0.000 0.000 1.150 0.000 0.000 +D 22 3.800 0.000 0.000 0.000 0.000 0.000 + + +******************************************************************************** + Processor 32: end reading molecular data. +******************************************************************************** + + +CSA calculations calculation. + +Conformations will be energy-minimized. +******************************************************************************** + +Waiting for 0.4414 sec +Waiting for 1.2539 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0078 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec + Finishing minim_jlee - signal 0 from master +Waiting for 0.6797 sec +Waiting for 0.0625 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0547 sec +Waiting for 0.0312 sec +Waiting for 0.4844 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.5039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3398 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.5195 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3203 sec +Waiting for 0.0859 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 1.1094 sec +Waiting for 0.0000 sec +Waiting for 0.0312 sec +Waiting for 0.0039 sec +Waiting for 0.0039 sec +Waiting for 0.0117 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.4453 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3398 sec +Waiting for 0.0469 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.6758 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 1.3906 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0430 sec +Waiting for 0.0000 sec +Waiting for 0.3555 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3164 sec +Waiting for 0.0000 sec +Waiting for 0.0195 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.4961 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3125 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3203 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2969 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2812 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2461 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3359 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.5352 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3594 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.3164 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3633 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.4453 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 1.1172 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3398 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.4023 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3164 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3320 sec +Waiting for 0.0117 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0078 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2773 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.4414 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3750 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3164 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3594 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3828 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2344 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3672 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2422 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3477 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2266 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.1797 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2969 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3633 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 1.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3125 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.5234 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3594 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3438 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3320 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.9453 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3203 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3672 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3125 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.3828 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3984 sec + Finishing minim_jlee - signal 0 from master + End of minim, proc 32 time 67.8164062500000 +CG processor 32 is finishing work. + Total wall clock time 74.7031250000000 sec diff --git a/examples/unres/CSA/GAB/CSA/local/1l2y_csa.out_GB033 b/examples/unres/CSA/GAB/CSA/local/1l2y_csa.out_GB033 new file mode 100644 index 0000000..46ac9ae --- /dev/null +++ b/examples/unres/CSA/GAB/CSA/local/1l2y_csa.out_GB033 @@ -0,0 +1,591 @@ +******************************************************************************** +United-residue force field calculation - parallel job. +******************************************************************************** + MPI: node= 33 iseed= -104031261 + ran_num 0.307578230475120 +RMSDBC = 3.0 +RMSDBC1 = 0.5 +RMSDBC1MAX = 1.5 +DRMS = 0.1 +RMSDBCM = 3.0 +Time limit (min): 960.0 + RESCALE_MODE 0 +Library routine used to diagonalize matrices. + +******************************************************************************** + Options in energy minimization: +******************************************************************************** +MaxMin: 3000 MaxFun: 1000MinMin: 3000 MinFun: 3000 TolF: 1.00000E-02 RTolF: 1.00000E-04 + NCONF_IN 0 + +Energy-term weights (unscaled): + +WSCC= 1.352790 (SC-SC) +WSCP= 1.593040 (SC-p) +WELEC= 0.715340 (p-p electr) +WVDWPP= 0.113710 (p-p VDW) +WBOND= 1.000000 (stretching) +WANG= 1.138730 (bending) +WSCLOC= 0.162580 (SC local) +WTOR= 1.985990 (torsional) +WTORD= 1.570690 (double torsional) +WSTRAIN= 1.000000 (SS bridges & dist. cnstr.) +WEL_LOC= 0.160360 (multi-body 3-rd order) +WCORR4= 0.428870 (multi-body 4th order) +WCORR5= 0.000000 (multi-body 5th order) +WCORR6= 0.000000 (multi-body 6th order) +WSCCOR= 0.000000 (back-scloc correlation) +WTURN3= 1.687220 (turns, 3rd order) +WTURN4= 0.662300 (turns, 4th order) +WTURN6= 0.000000 (turns, 6th order) +WDFA_D= 0.000000 (DFA, distance) +WDFA_T= 0.000000 (DFA, torsional) +WDFA_N= 0.000000 (DFA, number of neighbor) +WDFA_B= 0.000000 (DFA, beta formation) + +Hydrogen-bonding correlation between contact pairs of peptide groups + +Scaling factor of 1,4 SC-p interactions: 0.400 +General scaling factor of SC-p interactions: 1.000 + +Energy-term weights (scaled): + +WSCC= 1.352790 (SC-SC) +WSCP= 1.593040 (SC-p) +WELEC= 0.715340 (p-p electr) +WVDWPP= 0.113710 (p-p VDW) +WBOND= 1.000000 (stretching) +WANG= 1.138730 (bending) +WSCLOC= 0.162580 (SC local) +WTOR= 1.985990 (torsional) +WTORD= 1.570690 (double torsional) +WSTRAIN= 1.000000 (SS bridges & dist. cnstr.) +WEL_LOC= 0.160360 (multi-body 3-rd order) +WCORR4= 0.428870 (multi-body 4th order) +WCORR5= 0.000000 (multi-body 5th order) +WCORR6= 0.000000 (multi-body 6th order) +WSCCOR= 0.000000 (back-scloc correlatkion) +WTURN3= 1.687220 (turns, 3rd order) +WTURN4= 0.662300 (turns, 4th order) +WTURN6= 0.000000 (turns, 6th order) +WDFA_D= 0.000000 (DFA, distance) +WDFA_T= 0.000000 (DFA, torsional) +WDFA_N= 0.000000 (DFA, number of neighbor) +WDFA_B= 0.000000 (DFA, beta formation) + Reference temperature for weights calculation: 300.000000000000 + Parameters of the SS-bond potential: + D0CM 3.78000000000000 AKCM 15.1000000000000 AKTH + 11.0000000000000 AKCT 12.0000000000000 + V1SS -1.08000000000000 V2SS 7.61000000000000 V3SS + 13.7000000000000 + EBR -5.50000000000000 + ITEL + 1 21 0 + 2 14 1 + 3 5 1 + 4 8 1 + 5 4 1 + 6 13 1 + 7 7 1 + 8 5 1 + 9 19 1 + 10 16 1 + 11 10 1 + 12 10 2 + 13 20 1 + 14 12 1 + 15 12 1 + 16 10 1 + 17 18 2 + 18 20 2 + 19 20 2 + 20 20 1 + 21 12 0 + ns= 0 iss: + NZ_START= 2 NZ_END= 21 + IZ_SC= 0 + +Geometry of the virtual chain. + Res d Theta Gamma Dsc Alpha Beta +D 1 0.000 0.000 0.000 0.000 0.000 0.000 +ASN 2 3.800 0.000 0.000 1.684 0.000 0.000 +LEU 3 3.800 0.000 0.000 1.939 0.000 0.000 +TYR 4 3.800 0.000 0.000 2.484 0.000 0.000 +ILE 5 3.800 0.000 0.000 1.776 0.000 0.000 +GLN 6 3.800 0.000 0.000 2.240 0.000 0.000 +TRP 7 3.800 0.000 0.000 2.605 0.000 0.000 +LEU 8 3.800 0.000 0.000 1.939 0.000 0.000 +LYS 9 3.800 0.000 0.000 2.541 0.000 0.000 +ASP 10 3.800 0.000 0.000 1.709 0.000 0.000 +GLY 11 3.800 0.000 0.000 0.000 0.000 0.000 +GLY 12 3.800 0.000 0.000 0.000 0.000 0.000 +PRO 13 3.800 0.000 0.000 1.345 0.000 0.000 +SER 14 3.800 0.000 0.000 1.150 0.000 0.000 +SER 15 3.800 0.000 0.000 1.150 0.000 0.000 +GLY 16 3.800 0.000 0.000 0.000 0.000 0.000 +ARG 17 3.800 0.000 0.000 3.020 0.000 0.000 +PRO 18 3.800 0.000 0.000 1.345 0.000 0.000 +PRO 19 3.800 0.000 0.000 1.345 0.000 0.000 +PRO 20 3.800 0.000 0.000 1.345 0.000 0.000 +SER 21 3.800 0.000 0.000 1.150 0.000 0.000 +D 22 3.800 0.000 0.000 0.000 0.000 0.000 + + +******************************************************************************** + Processor 33: end reading molecular data. +******************************************************************************** + + +CSA calculations calculation. + +Conformations will be energy-minimized. +******************************************************************************** + +Waiting for 0.4414 sec +Waiting for 0.0000 sec +Waiting for 1.2031 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0664 sec +Waiting for 0.0000 sec + Finishing minim_jlee - signal 0 from master +Waiting for 0.6797 sec +Waiting for 0.0391 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0586 sec +Waiting for 0.0352 sec +Waiting for 0.5703 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.4727 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3359 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3750 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3281 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0195 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 1.0977 sec +Waiting for 0.0000 sec +Waiting for 0.0352 sec +Waiting for 0.0000 sec +Waiting for 0.4258 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3672 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.7266 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 1.4258 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0430 sec +Waiting for 0.3594 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2734 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.4727 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0078 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2148 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3203 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.2773 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.1758 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3281 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3672 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.5664 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3320 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3281 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2617 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.4805 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 1.1719 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3047 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2891 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2227 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3359 sec +Waiting for 0.0000 sec +Waiting for 0.0234 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3008 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.5234 sec +Waiting for 0.0078 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.4180 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3633 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3633 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.3867 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0039 sec +Waiting for 0.3477 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3750 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2070 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.2617 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2930 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3281 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2852 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0078 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3945 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 1.0273 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3242 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.5234 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2852 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.4297 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3242 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.9570 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2422 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.3555 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3281 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.3750 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.4180 sec + Finishing minim_jlee - signal 0 from master + End of minim, proc 33 time 67.8164062500000 +CG processor 33 is finishing work. + Total wall clock time 74.7031250000000 sec diff --git a/examples/unres/CSA/GAB/CSA/local/1l2y_csa.out_GB034 b/examples/unres/CSA/GAB/CSA/local/1l2y_csa.out_GB034 new file mode 100644 index 0000000..5cda705 --- /dev/null +++ b/examples/unres/CSA/GAB/CSA/local/1l2y_csa.out_GB034 @@ -0,0 +1,605 @@ +******************************************************************************** +United-residue force field calculation - parallel job. +******************************************************************************** + MPI: node= 34 iseed= -107091004 + ran_num 0.581330476327899 +RMSDBC = 3.0 +RMSDBC1 = 0.5 +RMSDBC1MAX = 1.5 +DRMS = 0.1 +RMSDBCM = 3.0 +Time limit (min): 960.0 + RESCALE_MODE 0 +Library routine used to diagonalize matrices. + +******************************************************************************** + Options in energy minimization: +******************************************************************************** +MaxMin: 3000 MaxFun: 1000MinMin: 3000 MinFun: 3000 TolF: 1.00000E-02 RTolF: 1.00000E-04 + NCONF_IN 0 + +Energy-term weights (unscaled): + +WSCC= 1.352790 (SC-SC) +WSCP= 1.593040 (SC-p) +WELEC= 0.715340 (p-p electr) +WVDWPP= 0.113710 (p-p VDW) +WBOND= 1.000000 (stretching) +WANG= 1.138730 (bending) +WSCLOC= 0.162580 (SC local) +WTOR= 1.985990 (torsional) +WTORD= 1.570690 (double torsional) +WSTRAIN= 1.000000 (SS bridges & dist. cnstr.) +WEL_LOC= 0.160360 (multi-body 3-rd order) +WCORR4= 0.428870 (multi-body 4th order) +WCORR5= 0.000000 (multi-body 5th order) +WCORR6= 0.000000 (multi-body 6th order) +WSCCOR= 0.000000 (back-scloc correlation) +WTURN3= 1.687220 (turns, 3rd order) +WTURN4= 0.662300 (turns, 4th order) +WTURN6= 0.000000 (turns, 6th order) +WDFA_D= 0.000000 (DFA, distance) +WDFA_T= 0.000000 (DFA, torsional) +WDFA_N= 0.000000 (DFA, number of neighbor) +WDFA_B= 0.000000 (DFA, beta formation) + +Hydrogen-bonding correlation between contact pairs of peptide groups + +Scaling factor of 1,4 SC-p interactions: 0.400 +General scaling factor of SC-p interactions: 1.000 + +Energy-term weights (scaled): + +WSCC= 1.352790 (SC-SC) +WSCP= 1.593040 (SC-p) +WELEC= 0.715340 (p-p electr) +WVDWPP= 0.113710 (p-p VDW) +WBOND= 1.000000 (stretching) +WANG= 1.138730 (bending) +WSCLOC= 0.162580 (SC local) +WTOR= 1.985990 (torsional) +WTORD= 1.570690 (double torsional) +WSTRAIN= 1.000000 (SS bridges & dist. cnstr.) +WEL_LOC= 0.160360 (multi-body 3-rd order) +WCORR4= 0.428870 (multi-body 4th order) +WCORR5= 0.000000 (multi-body 5th order) +WCORR6= 0.000000 (multi-body 6th order) +WSCCOR= 0.000000 (back-scloc correlatkion) +WTURN3= 1.687220 (turns, 3rd order) +WTURN4= 0.662300 (turns, 4th order) +WTURN6= 0.000000 (turns, 6th order) +WDFA_D= 0.000000 (DFA, distance) +WDFA_T= 0.000000 (DFA, torsional) +WDFA_N= 0.000000 (DFA, number of neighbor) +WDFA_B= 0.000000 (DFA, beta formation) + Reference temperature for weights calculation: 300.000000000000 + Parameters of the SS-bond potential: + D0CM 3.78000000000000 AKCM 15.1000000000000 AKTH + 11.0000000000000 AKCT 12.0000000000000 + V1SS -1.08000000000000 V2SS 7.61000000000000 V3SS + 13.7000000000000 + EBR -5.50000000000000 + ITEL + 1 21 0 + 2 14 1 + 3 5 1 + 4 8 1 + 5 4 1 + 6 13 1 + 7 7 1 + 8 5 1 + 9 19 1 + 10 16 1 + 11 10 1 + 12 10 2 + 13 20 1 + 14 12 1 + 15 12 1 + 16 10 1 + 17 18 2 + 18 20 2 + 19 20 2 + 20 20 1 + 21 12 0 + ns= 0 iss: + NZ_START= 2 NZ_END= 21 + IZ_SC= 0 + +Geometry of the virtual chain. + Res d Theta Gamma Dsc Alpha Beta +D 1 0.000 0.000 0.000 0.000 0.000 0.000 +ASN 2 3.800 0.000 0.000 1.684 0.000 0.000 +LEU 3 3.800 0.000 0.000 1.939 0.000 0.000 +TYR 4 3.800 0.000 0.000 2.484 0.000 0.000 +ILE 5 3.800 0.000 0.000 1.776 0.000 0.000 +GLN 6 3.800 0.000 0.000 2.240 0.000 0.000 +TRP 7 3.800 0.000 0.000 2.605 0.000 0.000 +LEU 8 3.800 0.000 0.000 1.939 0.000 0.000 +LYS 9 3.800 0.000 0.000 2.541 0.000 0.000 +ASP 10 3.800 0.000 0.000 1.709 0.000 0.000 +GLY 11 3.800 0.000 0.000 0.000 0.000 0.000 +GLY 12 3.800 0.000 0.000 0.000 0.000 0.000 +PRO 13 3.800 0.000 0.000 1.345 0.000 0.000 +SER 14 3.800 0.000 0.000 1.150 0.000 0.000 +SER 15 3.800 0.000 0.000 1.150 0.000 0.000 +GLY 16 3.800 0.000 0.000 0.000 0.000 0.000 +ARG 17 3.800 0.000 0.000 3.020 0.000 0.000 +PRO 18 3.800 0.000 0.000 1.345 0.000 0.000 +PRO 19 3.800 0.000 0.000 1.345 0.000 0.000 +PRO 20 3.800 0.000 0.000 1.345 0.000 0.000 +SER 21 3.800 0.000 0.000 1.150 0.000 0.000 +D 22 3.800 0.000 0.000 0.000 0.000 0.000 + + +******************************************************************************** + Processor 34: end reading molecular data. +******************************************************************************** + + +CSA calculations calculation. + +Conformations will be energy-minimized. +******************************************************************************** + +Waiting for 0.4492 sec +Waiting for 0.0000 sec +Waiting for 1.2188 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec + Finishing minim_jlee - signal 0 from master +Waiting for 0.6836 sec +Waiting for 0.0078 sec +Waiting for 0.0586 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0781 sec +Waiting for 0.5469 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.5195 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3203 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.4844 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3359 sec +Waiting for 0.0000 sec +Waiting for 0.0547 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 1.0703 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0469 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.4375 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3477 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.7461 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 1.3984 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0547 sec +Waiting for 0.3477 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3359 sec +Waiting for 0.0000 sec +Waiting for 0.0312 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.4727 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2383 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3125 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.2852 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3125 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2773 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3398 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.5742 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3555 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.3750 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3867 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3984 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 1.1562 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.3047 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3594 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3008 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3008 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2852 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.4805 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.4023 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2812 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0078 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3125 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3711 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3633 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3516 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.1641 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3320 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3438 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3633 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2891 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.3867 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 1.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3633 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.5078 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3398 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.4414 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3477 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.9922 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3750 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3594 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0078 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2188 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2656 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3633 sec + Finishing minim_jlee - signal 0 from master + End of minim, proc 34 time 67.8164062500000 +CG processor 34 is finishing work. + Total wall clock time 74.6992187500000 sec diff --git a/examples/unres/CSA/GAB/CSA/local/1l2y_csa.out_GB035 b/examples/unres/CSA/GAB/CSA/local/1l2y_csa.out_GB035 new file mode 100644 index 0000000..42b1dda --- /dev/null +++ b/examples/unres/CSA/GAB/CSA/local/1l2y_csa.out_GB035 @@ -0,0 +1,603 @@ +******************************************************************************** +United-residue force field calculation - parallel job. +******************************************************************************** + MPI: node= 35 iseed= -110150747 + ran_num 0.855082722180679 +RMSDBC = 3.0 +RMSDBC1 = 0.5 +RMSDBC1MAX = 1.5 +DRMS = 0.1 +RMSDBCM = 3.0 +Time limit (min): 960.0 + RESCALE_MODE 0 +Library routine used to diagonalize matrices. + +******************************************************************************** + Options in energy minimization: +******************************************************************************** +MaxMin: 3000 MaxFun: 1000MinMin: 3000 MinFun: 3000 TolF: 1.00000E-02 RTolF: 1.00000E-04 + NCONF_IN 0 + +Energy-term weights (unscaled): + +WSCC= 1.352790 (SC-SC) +WSCP= 1.593040 (SC-p) +WELEC= 0.715340 (p-p electr) +WVDWPP= 0.113710 (p-p VDW) +WBOND= 1.000000 (stretching) +WANG= 1.138730 (bending) +WSCLOC= 0.162580 (SC local) +WTOR= 1.985990 (torsional) +WTORD= 1.570690 (double torsional) +WSTRAIN= 1.000000 (SS bridges & dist. cnstr.) +WEL_LOC= 0.160360 (multi-body 3-rd order) +WCORR4= 0.428870 (multi-body 4th order) +WCORR5= 0.000000 (multi-body 5th order) +WCORR6= 0.000000 (multi-body 6th order) +WSCCOR= 0.000000 (back-scloc correlation) +WTURN3= 1.687220 (turns, 3rd order) +WTURN4= 0.662300 (turns, 4th order) +WTURN6= 0.000000 (turns, 6th order) +WDFA_D= 0.000000 (DFA, distance) +WDFA_T= 0.000000 (DFA, torsional) +WDFA_N= 0.000000 (DFA, number of neighbor) +WDFA_B= 0.000000 (DFA, beta formation) + +Hydrogen-bonding correlation between contact pairs of peptide groups + +Scaling factor of 1,4 SC-p interactions: 0.400 +General scaling factor of SC-p interactions: 1.000 + +Energy-term weights (scaled): + +WSCC= 1.352790 (SC-SC) +WSCP= 1.593040 (SC-p) +WELEC= 0.715340 (p-p electr) +WVDWPP= 0.113710 (p-p VDW) +WBOND= 1.000000 (stretching) +WANG= 1.138730 (bending) +WSCLOC= 0.162580 (SC local) +WTOR= 1.985990 (torsional) +WTORD= 1.570690 (double torsional) +WSTRAIN= 1.000000 (SS bridges & dist. cnstr.) +WEL_LOC= 0.160360 (multi-body 3-rd order) +WCORR4= 0.428870 (multi-body 4th order) +WCORR5= 0.000000 (multi-body 5th order) +WCORR6= 0.000000 (multi-body 6th order) +WSCCOR= 0.000000 (back-scloc correlatkion) +WTURN3= 1.687220 (turns, 3rd order) +WTURN4= 0.662300 (turns, 4th order) +WTURN6= 0.000000 (turns, 6th order) +WDFA_D= 0.000000 (DFA, distance) +WDFA_T= 0.000000 (DFA, torsional) +WDFA_N= 0.000000 (DFA, number of neighbor) +WDFA_B= 0.000000 (DFA, beta formation) + Reference temperature for weights calculation: 300.000000000000 + Parameters of the SS-bond potential: + D0CM 3.78000000000000 AKCM 15.1000000000000 AKTH + 11.0000000000000 AKCT 12.0000000000000 + V1SS -1.08000000000000 V2SS 7.61000000000000 V3SS + 13.7000000000000 + EBR -5.50000000000000 + ITEL + 1 21 0 + 2 14 1 + 3 5 1 + 4 8 1 + 5 4 1 + 6 13 1 + 7 7 1 + 8 5 1 + 9 19 1 + 10 16 1 + 11 10 1 + 12 10 2 + 13 20 1 + 14 12 1 + 15 12 1 + 16 10 1 + 17 18 2 + 18 20 2 + 19 20 2 + 20 20 1 + 21 12 0 + ns= 0 iss: + NZ_START= 2 NZ_END= 21 + IZ_SC= 0 + +Geometry of the virtual chain. + Res d Theta Gamma Dsc Alpha Beta +D 1 0.000 0.000 0.000 0.000 0.000 0.000 +ASN 2 3.800 0.000 0.000 1.684 0.000 0.000 +LEU 3 3.800 0.000 0.000 1.939 0.000 0.000 +TYR 4 3.800 0.000 0.000 2.484 0.000 0.000 +ILE 5 3.800 0.000 0.000 1.776 0.000 0.000 +GLN 6 3.800 0.000 0.000 2.240 0.000 0.000 +TRP 7 3.800 0.000 0.000 2.605 0.000 0.000 +LEU 8 3.800 0.000 0.000 1.939 0.000 0.000 +LYS 9 3.800 0.000 0.000 2.541 0.000 0.000 +ASP 10 3.800 0.000 0.000 1.709 0.000 0.000 +GLY 11 3.800 0.000 0.000 0.000 0.000 0.000 +GLY 12 3.800 0.000 0.000 0.000 0.000 0.000 +PRO 13 3.800 0.000 0.000 1.345 0.000 0.000 +SER 14 3.800 0.000 0.000 1.150 0.000 0.000 +SER 15 3.800 0.000 0.000 1.150 0.000 0.000 +GLY 16 3.800 0.000 0.000 0.000 0.000 0.000 +ARG 17 3.800 0.000 0.000 3.020 0.000 0.000 +PRO 18 3.800 0.000 0.000 1.345 0.000 0.000 +PRO 19 3.800 0.000 0.000 1.345 0.000 0.000 +PRO 20 3.800 0.000 0.000 1.345 0.000 0.000 +SER 21 3.800 0.000 0.000 1.150 0.000 0.000 +D 22 3.800 0.000 0.000 0.000 0.000 0.000 + + +******************************************************************************** + Processor 35: end reading molecular data. +******************************************************************************** + + +CSA calculations calculation. + +Conformations will be energy-minimized. +******************************************************************************** + +Waiting for 0.4531 sec +Waiting for 1.2578 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0430 sec +Waiting for 0.0000 sec + Finishing minim_jlee - signal 0 from master +Waiting for 0.6836 sec +Waiting for 0.0508 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.5898 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.4414 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2305 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.4219 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3516 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0469 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 1.0508 sec +Waiting for 0.0469 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3945 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3672 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.7148 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 1.3828 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0195 sec +Waiting for 0.3711 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3320 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.4727 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2969 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3125 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0078 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3086 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2109 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2266 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3633 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.5781 sec +Waiting for 0.0039 sec +Waiting for 0.0078 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3594 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.3633 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3945 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.3242 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 1.1562 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3320 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3633 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3320 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3672 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0234 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0078 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3047 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.4883 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.4258 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3711 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2773 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2969 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3711 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3711 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.2617 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3398 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3398 sec +Waiting for 0.0078 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3203 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3164 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3594 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 1.0195 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2812 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3945 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3477 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.4570 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3203 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.9219 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3477 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2969 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3008 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3242 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3594 sec + Finishing minim_jlee - signal 0 from master + End of minim, proc 35 time 67.8164062500000 +CG processor 35 is finishing work. + Total wall clock time 74.7031250000000 sec diff --git a/examples/unres/CSA/GAB/CSA/local/1l2y_csa.out_GB036 b/examples/unres/CSA/GAB/CSA/local/1l2y_csa.out_GB036 new file mode 100644 index 0000000..56c0751 --- /dev/null +++ b/examples/unres/CSA/GAB/CSA/local/1l2y_csa.out_GB036 @@ -0,0 +1,534 @@ +******************************************************************************** +United-residue force field calculation - parallel job. +******************************************************************************** + MPI: node= 36 iseed= -113210490 + ran_num 0.128834968033458 +RMSDBC = 3.0 +RMSDBC1 = 0.5 +RMSDBC1MAX = 1.5 +DRMS = 0.1 +RMSDBCM = 3.0 +Time limit (min): 960.0 + RESCALE_MODE 0 +Library routine used to diagonalize matrices. + +******************************************************************************** + Options in energy minimization: +******************************************************************************** +MaxMin: 3000 MaxFun: 1000MinMin: 3000 MinFun: 3000 TolF: 1.00000E-02 RTolF: 1.00000E-04 + NCONF_IN 0 + +Energy-term weights (unscaled): + +WSCC= 1.352790 (SC-SC) +WSCP= 1.593040 (SC-p) +WELEC= 0.715340 (p-p electr) +WVDWPP= 0.113710 (p-p VDW) +WBOND= 1.000000 (stretching) +WANG= 1.138730 (bending) +WSCLOC= 0.162580 (SC local) +WTOR= 1.985990 (torsional) +WTORD= 1.570690 (double torsional) +WSTRAIN= 1.000000 (SS bridges & dist. cnstr.) +WEL_LOC= 0.160360 (multi-body 3-rd order) +WCORR4= 0.428870 (multi-body 4th order) +WCORR5= 0.000000 (multi-body 5th order) +WCORR6= 0.000000 (multi-body 6th order) +WSCCOR= 0.000000 (back-scloc correlation) +WTURN3= 1.687220 (turns, 3rd order) +WTURN4= 0.662300 (turns, 4th order) +WTURN6= 0.000000 (turns, 6th order) +WDFA_D= 0.000000 (DFA, distance) +WDFA_T= 0.000000 (DFA, torsional) +WDFA_N= 0.000000 (DFA, number of neighbor) +WDFA_B= 0.000000 (DFA, beta formation) + +Hydrogen-bonding correlation between contact pairs of peptide groups + +Scaling factor of 1,4 SC-p interactions: 0.400 +General scaling factor of SC-p interactions: 1.000 + +Energy-term weights (scaled): + +WSCC= 1.352790 (SC-SC) +WSCP= 1.593040 (SC-p) +WELEC= 0.715340 (p-p electr) +WVDWPP= 0.113710 (p-p VDW) +WBOND= 1.000000 (stretching) +WANG= 1.138730 (bending) +WSCLOC= 0.162580 (SC local) +WTOR= 1.985990 (torsional) +WTORD= 1.570690 (double torsional) +WSTRAIN= 1.000000 (SS bridges & dist. cnstr.) +WEL_LOC= 0.160360 (multi-body 3-rd order) +WCORR4= 0.428870 (multi-body 4th order) +WCORR5= 0.000000 (multi-body 5th order) +WCORR6= 0.000000 (multi-body 6th order) +WSCCOR= 0.000000 (back-scloc correlatkion) +WTURN3= 1.687220 (turns, 3rd order) +WTURN4= 0.662300 (turns, 4th order) +WTURN6= 0.000000 (turns, 6th order) +WDFA_D= 0.000000 (DFA, distance) +WDFA_T= 0.000000 (DFA, torsional) +WDFA_N= 0.000000 (DFA, number of neighbor) +WDFA_B= 0.000000 (DFA, beta formation) + Reference temperature for weights calculation: 300.000000000000 + Parameters of the SS-bond potential: + D0CM 3.78000000000000 AKCM 15.1000000000000 AKTH + 11.0000000000000 AKCT 12.0000000000000 + V1SS -1.08000000000000 V2SS 7.61000000000000 V3SS + 13.7000000000000 + EBR -5.50000000000000 + ITEL + 1 21 0 + 2 14 1 + 3 5 1 + 4 8 1 + 5 4 1 + 6 13 1 + 7 7 1 + 8 5 1 + 9 19 1 + 10 16 1 + 11 10 1 + 12 10 2 + 13 20 1 + 14 12 1 + 15 12 1 + 16 10 1 + 17 18 2 + 18 20 2 + 19 20 2 + 20 20 1 + 21 12 0 + ns= 0 iss: + NZ_START= 2 NZ_END= 21 + IZ_SC= 0 + +Geometry of the virtual chain. + Res d Theta Gamma Dsc Alpha Beta +D 1 0.000 0.000 0.000 0.000 0.000 0.000 +ASN 2 3.800 0.000 0.000 1.684 0.000 0.000 +LEU 3 3.800 0.000 0.000 1.939 0.000 0.000 +TYR 4 3.800 0.000 0.000 2.484 0.000 0.000 +ILE 5 3.800 0.000 0.000 1.776 0.000 0.000 +GLN 6 3.800 0.000 0.000 2.240 0.000 0.000 +TRP 7 3.800 0.000 0.000 2.605 0.000 0.000 +LEU 8 3.800 0.000 0.000 1.939 0.000 0.000 +LYS 9 3.800 0.000 0.000 2.541 0.000 0.000 +ASP 10 3.800 0.000 0.000 1.709 0.000 0.000 +GLY 11 3.800 0.000 0.000 0.000 0.000 0.000 +GLY 12 3.800 0.000 0.000 0.000 0.000 0.000 +PRO 13 3.800 0.000 0.000 1.345 0.000 0.000 +SER 14 3.800 0.000 0.000 1.150 0.000 0.000 +SER 15 3.800 0.000 0.000 1.150 0.000 0.000 +GLY 16 3.800 0.000 0.000 0.000 0.000 0.000 +ARG 17 3.800 0.000 0.000 3.020 0.000 0.000 +PRO 18 3.800 0.000 0.000 1.345 0.000 0.000 +PRO 19 3.800 0.000 0.000 1.345 0.000 0.000 +PRO 20 3.800 0.000 0.000 1.345 0.000 0.000 +SER 21 3.800 0.000 0.000 1.150 0.000 0.000 +D 22 3.800 0.000 0.000 0.000 0.000 0.000 + + +******************************************************************************** + Processor 36: end reading molecular data. +******************************************************************************** + + +CSA calculations calculation. + +Conformations will be energy-minimized. +******************************************************************************** + +Waiting for 0.4375 sec +Waiting for 1.2422 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0391 sec +Waiting for 0.0000 sec + Finishing minim_jlee - signal 0 from master +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.5312 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3086 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.5000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2617 sec +Waiting for 0.0273 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 1.0273 sec +Waiting for 0.0000 sec +Waiting for 0.0430 sec +Waiting for 0.0000 sec +Waiting for 0.0234 sec +Waiting for 0.0000 sec +Waiting for 0.4336 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3281 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.6836 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 1.3906 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0430 sec +Waiting for 0.0000 sec +Waiting for 0.0625 sec +Waiting for 0.0000 sec +Waiting for 0.3477 sec +Waiting for 0.0039 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.3477 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.4844 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2891 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.2969 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3086 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.3164 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3320 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3438 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.5938 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3594 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3281 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3320 sec +Waiting for 0.0078 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0078 sec +Waiting for 0.4414 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 1.1680 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3203 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3906 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2266 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3633 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.2891 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.4648 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3320 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3086 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3516 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3320 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3477 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3672 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3008 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3203 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3008 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3594 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3086 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3164 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.9883 sec +Waiting for 0.0117 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3945 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.5117 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2617 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.4648 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3633 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.8711 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3594 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3125 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2812 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3984 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3906 sec + Finishing minim_jlee - signal 0 from master + End of minim, proc 36 time 64.8554687500000 +CG processor 36 is finishing work. + Total wall clock time 74.6992187500000 sec diff --git a/examples/unres/CSA/GAB/CSA/local/1l2y_csa.out_GB037 b/examples/unres/CSA/GAB/CSA/local/1l2y_csa.out_GB037 new file mode 100644 index 0000000..f4526d3 --- /dev/null +++ b/examples/unres/CSA/GAB/CSA/local/1l2y_csa.out_GB037 @@ -0,0 +1,534 @@ +******************************************************************************** +United-residue force field calculation - parallel job. +******************************************************************************** + MPI: node= 37 iseed= -116270233 + ran_num 0.402587213886238 +RMSDBC = 3.0 +RMSDBC1 = 0.5 +RMSDBC1MAX = 1.5 +DRMS = 0.1 +RMSDBCM = 3.0 +Time limit (min): 960.0 + RESCALE_MODE 0 +Library routine used to diagonalize matrices. + +******************************************************************************** + Options in energy minimization: +******************************************************************************** +MaxMin: 3000 MaxFun: 1000MinMin: 3000 MinFun: 3000 TolF: 1.00000E-02 RTolF: 1.00000E-04 + NCONF_IN 0 + +Energy-term weights (unscaled): + +WSCC= 1.352790 (SC-SC) +WSCP= 1.593040 (SC-p) +WELEC= 0.715340 (p-p electr) +WVDWPP= 0.113710 (p-p VDW) +WBOND= 1.000000 (stretching) +WANG= 1.138730 (bending) +WSCLOC= 0.162580 (SC local) +WTOR= 1.985990 (torsional) +WTORD= 1.570690 (double torsional) +WSTRAIN= 1.000000 (SS bridges & dist. cnstr.) +WEL_LOC= 0.160360 (multi-body 3-rd order) +WCORR4= 0.428870 (multi-body 4th order) +WCORR5= 0.000000 (multi-body 5th order) +WCORR6= 0.000000 (multi-body 6th order) +WSCCOR= 0.000000 (back-scloc correlation) +WTURN3= 1.687220 (turns, 3rd order) +WTURN4= 0.662300 (turns, 4th order) +WTURN6= 0.000000 (turns, 6th order) +WDFA_D= 0.000000 (DFA, distance) +WDFA_T= 0.000000 (DFA, torsional) +WDFA_N= 0.000000 (DFA, number of neighbor) +WDFA_B= 0.000000 (DFA, beta formation) + +Hydrogen-bonding correlation between contact pairs of peptide groups + +Scaling factor of 1,4 SC-p interactions: 0.400 +General scaling factor of SC-p interactions: 1.000 + +Energy-term weights (scaled): + +WSCC= 1.352790 (SC-SC) +WSCP= 1.593040 (SC-p) +WELEC= 0.715340 (p-p electr) +WVDWPP= 0.113710 (p-p VDW) +WBOND= 1.000000 (stretching) +WANG= 1.138730 (bending) +WSCLOC= 0.162580 (SC local) +WTOR= 1.985990 (torsional) +WTORD= 1.570690 (double torsional) +WSTRAIN= 1.000000 (SS bridges & dist. cnstr.) +WEL_LOC= 0.160360 (multi-body 3-rd order) +WCORR4= 0.428870 (multi-body 4th order) +WCORR5= 0.000000 (multi-body 5th order) +WCORR6= 0.000000 (multi-body 6th order) +WSCCOR= 0.000000 (back-scloc correlatkion) +WTURN3= 1.687220 (turns, 3rd order) +WTURN4= 0.662300 (turns, 4th order) +WTURN6= 0.000000 (turns, 6th order) +WDFA_D= 0.000000 (DFA, distance) +WDFA_T= 0.000000 (DFA, torsional) +WDFA_N= 0.000000 (DFA, number of neighbor) +WDFA_B= 0.000000 (DFA, beta formation) + Reference temperature for weights calculation: 300.000000000000 + Parameters of the SS-bond potential: + D0CM 3.78000000000000 AKCM 15.1000000000000 AKTH + 11.0000000000000 AKCT 12.0000000000000 + V1SS -1.08000000000000 V2SS 7.61000000000000 V3SS + 13.7000000000000 + EBR -5.50000000000000 + ITEL + 1 21 0 + 2 14 1 + 3 5 1 + 4 8 1 + 5 4 1 + 6 13 1 + 7 7 1 + 8 5 1 + 9 19 1 + 10 16 1 + 11 10 1 + 12 10 2 + 13 20 1 + 14 12 1 + 15 12 1 + 16 10 1 + 17 18 2 + 18 20 2 + 19 20 2 + 20 20 1 + 21 12 0 + ns= 0 iss: + NZ_START= 2 NZ_END= 21 + IZ_SC= 0 + +Geometry of the virtual chain. + Res d Theta Gamma Dsc Alpha Beta +D 1 0.000 0.000 0.000 0.000 0.000 0.000 +ASN 2 3.800 0.000 0.000 1.684 0.000 0.000 +LEU 3 3.800 0.000 0.000 1.939 0.000 0.000 +TYR 4 3.800 0.000 0.000 2.484 0.000 0.000 +ILE 5 3.800 0.000 0.000 1.776 0.000 0.000 +GLN 6 3.800 0.000 0.000 2.240 0.000 0.000 +TRP 7 3.800 0.000 0.000 2.605 0.000 0.000 +LEU 8 3.800 0.000 0.000 1.939 0.000 0.000 +LYS 9 3.800 0.000 0.000 2.541 0.000 0.000 +ASP 10 3.800 0.000 0.000 1.709 0.000 0.000 +GLY 11 3.800 0.000 0.000 0.000 0.000 0.000 +GLY 12 3.800 0.000 0.000 0.000 0.000 0.000 +PRO 13 3.800 0.000 0.000 1.345 0.000 0.000 +SER 14 3.800 0.000 0.000 1.150 0.000 0.000 +SER 15 3.800 0.000 0.000 1.150 0.000 0.000 +GLY 16 3.800 0.000 0.000 0.000 0.000 0.000 +ARG 17 3.800 0.000 0.000 3.020 0.000 0.000 +PRO 18 3.800 0.000 0.000 1.345 0.000 0.000 +PRO 19 3.800 0.000 0.000 1.345 0.000 0.000 +PRO 20 3.800 0.000 0.000 1.345 0.000 0.000 +SER 21 3.800 0.000 0.000 1.150 0.000 0.000 +D 22 3.800 0.000 0.000 0.000 0.000 0.000 + + +******************************************************************************** + Processor 37: end reading molecular data. +******************************************************************************** + + +CSA calculations calculation. + +Conformations will be energy-minimized. +******************************************************************************** + +Waiting for 0.4375 sec +Waiting for 1.2188 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.1289 sec +Waiting for 0.0000 sec + Finishing minim_jlee - signal 0 from master +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.5195 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3242 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.4648 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3438 sec +Waiting for 0.0000 sec +Waiting for 0.0820 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 1.0781 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3984 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3516 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.7617 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 1.4141 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.3633 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3047 sec +Waiting for 0.0195 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.5039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2656 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3164 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3008 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.3125 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.3164 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2578 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.5586 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3750 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3555 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.3711 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3945 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 1.1562 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0078 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3008 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3906 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3164 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3906 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3008 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.5234 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.4258 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3789 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3633 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3203 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3242 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3516 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3125 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2578 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.3203 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3047 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3164 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3477 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 1.0234 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3242 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.5312 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3477 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.4922 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2930 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.9961 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3438 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3008 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3320 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3711 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3125 sec + Finishing minim_jlee - signal 0 from master + End of minim, proc 37 time 64.8554687500000 +CG processor 37 is finishing work. + Total wall clock time 74.6992187500000 sec diff --git a/examples/unres/CSA/GAB/CSA/local/1l2y_csa.out_GB038 b/examples/unres/CSA/GAB/CSA/local/1l2y_csa.out_GB038 new file mode 100644 index 0000000..55c2365 --- /dev/null +++ b/examples/unres/CSA/GAB/CSA/local/1l2y_csa.out_GB038 @@ -0,0 +1,554 @@ +******************************************************************************** +United-residue force field calculation - parallel job. +******************************************************************************** + MPI: node= 38 iseed= -119329976 + ran_num 0.676339459739017 +RMSDBC = 3.0 +RMSDBC1 = 0.5 +RMSDBC1MAX = 1.5 +DRMS = 0.1 +RMSDBCM = 3.0 +Time limit (min): 960.0 + RESCALE_MODE 0 +Library routine used to diagonalize matrices. + +******************************************************************************** + Options in energy minimization: +******************************************************************************** +MaxMin: 3000 MaxFun: 1000MinMin: 3000 MinFun: 3000 TolF: 1.00000E-02 RTolF: 1.00000E-04 + NCONF_IN 0 + +Energy-term weights (unscaled): + +WSCC= 1.352790 (SC-SC) +WSCP= 1.593040 (SC-p) +WELEC= 0.715340 (p-p electr) +WVDWPP= 0.113710 (p-p VDW) +WBOND= 1.000000 (stretching) +WANG= 1.138730 (bending) +WSCLOC= 0.162580 (SC local) +WTOR= 1.985990 (torsional) +WTORD= 1.570690 (double torsional) +WSTRAIN= 1.000000 (SS bridges & dist. cnstr.) +WEL_LOC= 0.160360 (multi-body 3-rd order) +WCORR4= 0.428870 (multi-body 4th order) +WCORR5= 0.000000 (multi-body 5th order) +WCORR6= 0.000000 (multi-body 6th order) +WSCCOR= 0.000000 (back-scloc correlation) +WTURN3= 1.687220 (turns, 3rd order) +WTURN4= 0.662300 (turns, 4th order) +WTURN6= 0.000000 (turns, 6th order) +WDFA_D= 0.000000 (DFA, distance) +WDFA_T= 0.000000 (DFA, torsional) +WDFA_N= 0.000000 (DFA, number of neighbor) +WDFA_B= 0.000000 (DFA, beta formation) + +Hydrogen-bonding correlation between contact pairs of peptide groups + +Scaling factor of 1,4 SC-p interactions: 0.400 +General scaling factor of SC-p interactions: 1.000 + +Energy-term weights (scaled): + +WSCC= 1.352790 (SC-SC) +WSCP= 1.593040 (SC-p) +WELEC= 0.715340 (p-p electr) +WVDWPP= 0.113710 (p-p VDW) +WBOND= 1.000000 (stretching) +WANG= 1.138730 (bending) +WSCLOC= 0.162580 (SC local) +WTOR= 1.985990 (torsional) +WTORD= 1.570690 (double torsional) +WSTRAIN= 1.000000 (SS bridges & dist. cnstr.) +WEL_LOC= 0.160360 (multi-body 3-rd order) +WCORR4= 0.428870 (multi-body 4th order) +WCORR5= 0.000000 (multi-body 5th order) +WCORR6= 0.000000 (multi-body 6th order) +WSCCOR= 0.000000 (back-scloc correlatkion) +WTURN3= 1.687220 (turns, 3rd order) +WTURN4= 0.662300 (turns, 4th order) +WTURN6= 0.000000 (turns, 6th order) +WDFA_D= 0.000000 (DFA, distance) +WDFA_T= 0.000000 (DFA, torsional) +WDFA_N= 0.000000 (DFA, number of neighbor) +WDFA_B= 0.000000 (DFA, beta formation) + Reference temperature for weights calculation: 300.000000000000 + Parameters of the SS-bond potential: + D0CM 3.78000000000000 AKCM 15.1000000000000 AKTH + 11.0000000000000 AKCT 12.0000000000000 + V1SS -1.08000000000000 V2SS 7.61000000000000 V3SS + 13.7000000000000 + EBR -5.50000000000000 + ITEL + 1 21 0 + 2 14 1 + 3 5 1 + 4 8 1 + 5 4 1 + 6 13 1 + 7 7 1 + 8 5 1 + 9 19 1 + 10 16 1 + 11 10 1 + 12 10 2 + 13 20 1 + 14 12 1 + 15 12 1 + 16 10 1 + 17 18 2 + 18 20 2 + 19 20 2 + 20 20 1 + 21 12 0 + ns= 0 iss: + NZ_START= 2 NZ_END= 21 + IZ_SC= 0 + +Geometry of the virtual chain. + Res d Theta Gamma Dsc Alpha Beta +D 1 0.000 0.000 0.000 0.000 0.000 0.000 +ASN 2 3.800 0.000 0.000 1.684 0.000 0.000 +LEU 3 3.800 0.000 0.000 1.939 0.000 0.000 +TYR 4 3.800 0.000 0.000 2.484 0.000 0.000 +ILE 5 3.800 0.000 0.000 1.776 0.000 0.000 +GLN 6 3.800 0.000 0.000 2.240 0.000 0.000 +TRP 7 3.800 0.000 0.000 2.605 0.000 0.000 +LEU 8 3.800 0.000 0.000 1.939 0.000 0.000 +LYS 9 3.800 0.000 0.000 2.541 0.000 0.000 +ASP 10 3.800 0.000 0.000 1.709 0.000 0.000 +GLY 11 3.800 0.000 0.000 0.000 0.000 0.000 +GLY 12 3.800 0.000 0.000 0.000 0.000 0.000 +PRO 13 3.800 0.000 0.000 1.345 0.000 0.000 +SER 14 3.800 0.000 0.000 1.150 0.000 0.000 +SER 15 3.800 0.000 0.000 1.150 0.000 0.000 +GLY 16 3.800 0.000 0.000 0.000 0.000 0.000 +ARG 17 3.800 0.000 0.000 3.020 0.000 0.000 +PRO 18 3.800 0.000 0.000 1.345 0.000 0.000 +PRO 19 3.800 0.000 0.000 1.345 0.000 0.000 +PRO 20 3.800 0.000 0.000 1.345 0.000 0.000 +SER 21 3.800 0.000 0.000 1.150 0.000 0.000 +D 22 3.800 0.000 0.000 0.000 0.000 0.000 + + +******************************************************************************** + Processor 38: end reading molecular data. +******************************************************************************** + + +CSA calculations calculation. + +Conformations will be energy-minimized. +******************************************************************************** + +Waiting for 0.4492 sec +Waiting for 1.2070 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0195 sec +Waiting for 0.0000 sec + Finishing minim_jlee - signal 0 from master +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.5273 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2930 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0078 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.4883 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3438 sec +Waiting for 0.0820 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 1.0586 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0234 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.4375 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3594 sec +Waiting for 0.0273 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.7422 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 1.3867 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0312 sec +Waiting for 0.0000 sec +Waiting for 0.0312 sec +Waiting for 0.3398 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2969 sec +Waiting for 0.0000 sec +Waiting for 0.0312 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.4102 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2539 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2969 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2773 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3320 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3086 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3008 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.5352 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3516 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3281 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3867 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.4375 sec +Waiting for 0.0156 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 1.1602 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3398 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.4102 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3125 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3906 sec +Waiting for 0.0000 sec +Waiting for 0.0469 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3047 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.5312 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.4375 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3828 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3555 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3672 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2695 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3672 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3086 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3477 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.3164 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3555 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.2305 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3516 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 1.0078 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.3867 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.4609 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3242 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.5000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.3438 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.9883 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.3281 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.3828 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3242 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.4219 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3320 sec + Finishing minim_jlee - signal 0 from master + End of minim, proc 38 time 64.8085937500000 +CG processor 38 is finishing work. + Total wall clock time 74.6953125000000 sec diff --git a/examples/unres/CSA/GAB/CSA/local/1l2y_csa.out_GB039 b/examples/unres/CSA/GAB/CSA/local/1l2y_csa.out_GB039 new file mode 100644 index 0000000..6e52a4d --- /dev/null +++ b/examples/unres/CSA/GAB/CSA/local/1l2y_csa.out_GB039 @@ -0,0 +1,543 @@ +******************************************************************************** +United-residue force field calculation - parallel job. +******************************************************************************** + MPI: node= 39 iseed= -122389719 + ran_num 0.950091705591797 +RMSDBC = 3.0 +RMSDBC1 = 0.5 +RMSDBC1MAX = 1.5 +DRMS = 0.1 +RMSDBCM = 3.0 +Time limit (min): 960.0 + RESCALE_MODE 0 +Library routine used to diagonalize matrices. + +******************************************************************************** + Options in energy minimization: +******************************************************************************** +MaxMin: 3000 MaxFun: 1000MinMin: 3000 MinFun: 3000 TolF: 1.00000E-02 RTolF: 1.00000E-04 + NCONF_IN 0 + +Energy-term weights (unscaled): + +WSCC= 1.352790 (SC-SC) +WSCP= 1.593040 (SC-p) +WELEC= 0.715340 (p-p electr) +WVDWPP= 0.113710 (p-p VDW) +WBOND= 1.000000 (stretching) +WANG= 1.138730 (bending) +WSCLOC= 0.162580 (SC local) +WTOR= 1.985990 (torsional) +WTORD= 1.570690 (double torsional) +WSTRAIN= 1.000000 (SS bridges & dist. cnstr.) +WEL_LOC= 0.160360 (multi-body 3-rd order) +WCORR4= 0.428870 (multi-body 4th order) +WCORR5= 0.000000 (multi-body 5th order) +WCORR6= 0.000000 (multi-body 6th order) +WSCCOR= 0.000000 (back-scloc correlation) +WTURN3= 1.687220 (turns, 3rd order) +WTURN4= 0.662300 (turns, 4th order) +WTURN6= 0.000000 (turns, 6th order) +WDFA_D= 0.000000 (DFA, distance) +WDFA_T= 0.000000 (DFA, torsional) +WDFA_N= 0.000000 (DFA, number of neighbor) +WDFA_B= 0.000000 (DFA, beta formation) + +Hydrogen-bonding correlation between contact pairs of peptide groups + +Scaling factor of 1,4 SC-p interactions: 0.400 +General scaling factor of SC-p interactions: 1.000 + +Energy-term weights (scaled): + +WSCC= 1.352790 (SC-SC) +WSCP= 1.593040 (SC-p) +WELEC= 0.715340 (p-p electr) +WVDWPP= 0.113710 (p-p VDW) +WBOND= 1.000000 (stretching) +WANG= 1.138730 (bending) +WSCLOC= 0.162580 (SC local) +WTOR= 1.985990 (torsional) +WTORD= 1.570690 (double torsional) +WSTRAIN= 1.000000 (SS bridges & dist. cnstr.) +WEL_LOC= 0.160360 (multi-body 3-rd order) +WCORR4= 0.428870 (multi-body 4th order) +WCORR5= 0.000000 (multi-body 5th order) +WCORR6= 0.000000 (multi-body 6th order) +WSCCOR= 0.000000 (back-scloc correlatkion) +WTURN3= 1.687220 (turns, 3rd order) +WTURN4= 0.662300 (turns, 4th order) +WTURN6= 0.000000 (turns, 6th order) +WDFA_D= 0.000000 (DFA, distance) +WDFA_T= 0.000000 (DFA, torsional) +WDFA_N= 0.000000 (DFA, number of neighbor) +WDFA_B= 0.000000 (DFA, beta formation) + Reference temperature for weights calculation: 300.000000000000 + Parameters of the SS-bond potential: + D0CM 3.78000000000000 AKCM 15.1000000000000 AKTH + 11.0000000000000 AKCT 12.0000000000000 + V1SS -1.08000000000000 V2SS 7.61000000000000 V3SS + 13.7000000000000 + EBR -5.50000000000000 + ITEL + 1 21 0 + 2 14 1 + 3 5 1 + 4 8 1 + 5 4 1 + 6 13 1 + 7 7 1 + 8 5 1 + 9 19 1 + 10 16 1 + 11 10 1 + 12 10 2 + 13 20 1 + 14 12 1 + 15 12 1 + 16 10 1 + 17 18 2 + 18 20 2 + 19 20 2 + 20 20 1 + 21 12 0 + ns= 0 iss: + NZ_START= 2 NZ_END= 21 + IZ_SC= 0 + +Geometry of the virtual chain. + Res d Theta Gamma Dsc Alpha Beta +D 1 0.000 0.000 0.000 0.000 0.000 0.000 +ASN 2 3.800 0.000 0.000 1.684 0.000 0.000 +LEU 3 3.800 0.000 0.000 1.939 0.000 0.000 +TYR 4 3.800 0.000 0.000 2.484 0.000 0.000 +ILE 5 3.800 0.000 0.000 1.776 0.000 0.000 +GLN 6 3.800 0.000 0.000 2.240 0.000 0.000 +TRP 7 3.800 0.000 0.000 2.605 0.000 0.000 +LEU 8 3.800 0.000 0.000 1.939 0.000 0.000 +LYS 9 3.800 0.000 0.000 2.541 0.000 0.000 +ASP 10 3.800 0.000 0.000 1.709 0.000 0.000 +GLY 11 3.800 0.000 0.000 0.000 0.000 0.000 +GLY 12 3.800 0.000 0.000 0.000 0.000 0.000 +PRO 13 3.800 0.000 0.000 1.345 0.000 0.000 +SER 14 3.800 0.000 0.000 1.150 0.000 0.000 +SER 15 3.800 0.000 0.000 1.150 0.000 0.000 +GLY 16 3.800 0.000 0.000 0.000 0.000 0.000 +ARG 17 3.800 0.000 0.000 3.020 0.000 0.000 +PRO 18 3.800 0.000 0.000 1.345 0.000 0.000 +PRO 19 3.800 0.000 0.000 1.345 0.000 0.000 +PRO 20 3.800 0.000 0.000 1.345 0.000 0.000 +SER 21 3.800 0.000 0.000 1.150 0.000 0.000 +D 22 3.800 0.000 0.000 0.000 0.000 0.000 + + +******************************************************************************** + Processor 39: end reading molecular data. +******************************************************************************** + + +CSA calculations calculation. + +Conformations will be energy-minimized. +******************************************************************************** + +Waiting for 0.4375 sec +Waiting for 1.2305 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec + Finishing minim_jlee - signal 0 from master +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.5234 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3398 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.5156 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2969 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 1.1016 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.4141 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2812 sec +Waiting for 0.0195 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.7617 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 1.4062 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0391 sec +Waiting for 0.3008 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3281 sec +Waiting for 0.0000 sec +Waiting for 0.0469 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.4922 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2969 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3242 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2891 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2930 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2852 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.3359 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.5469 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3438 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2383 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3750 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.4609 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 1.1797 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2422 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3203 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3086 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3555 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.3047 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3711 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3594 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3594 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3516 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3711 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3789 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3906 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3047 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2891 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3242 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3242 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3086 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3906 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 1.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3281 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3594 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.3633 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.4883 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.3477 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.9883 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3828 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2852 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0078 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2734 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3828 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3555 sec + Finishing minim_jlee - signal 0 from master + End of minim, proc 39 time 64.8632812500000 +CG processor 39 is finishing work. + Total wall clock time 74.6953125000000 sec diff --git a/examples/unres/CSA/GAB/CSA/local/1l2y_csa.out_GB040 b/examples/unres/CSA/GAB/CSA/local/1l2y_csa.out_GB040 new file mode 100644 index 0000000..cef33e1 --- /dev/null +++ b/examples/unres/CSA/GAB/CSA/local/1l2y_csa.out_GB040 @@ -0,0 +1,564 @@ +******************************************************************************** +United-residue force field calculation - parallel job. +******************************************************************************** + MPI: node= 40 iseed= -125449462 + ran_num 0.223843951444576 +RMSDBC = 3.0 +RMSDBC1 = 0.5 +RMSDBC1MAX = 1.5 +DRMS = 0.1 +RMSDBCM = 3.0 +Time limit (min): 960.0 + RESCALE_MODE 0 +Library routine used to diagonalize matrices. + +******************************************************************************** + Options in energy minimization: +******************************************************************************** +MaxMin: 3000 MaxFun: 1000MinMin: 3000 MinFun: 3000 TolF: 1.00000E-02 RTolF: 1.00000E-04 + NCONF_IN 0 + +Energy-term weights (unscaled): + +WSCC= 1.352790 (SC-SC) +WSCP= 1.593040 (SC-p) +WELEC= 0.715340 (p-p electr) +WVDWPP= 0.113710 (p-p VDW) +WBOND= 1.000000 (stretching) +WANG= 1.138730 (bending) +WSCLOC= 0.162580 (SC local) +WTOR= 1.985990 (torsional) +WTORD= 1.570690 (double torsional) +WSTRAIN= 1.000000 (SS bridges & dist. cnstr.) +WEL_LOC= 0.160360 (multi-body 3-rd order) +WCORR4= 0.428870 (multi-body 4th order) +WCORR5= 0.000000 (multi-body 5th order) +WCORR6= 0.000000 (multi-body 6th order) +WSCCOR= 0.000000 (back-scloc correlation) +WTURN3= 1.687220 (turns, 3rd order) +WTURN4= 0.662300 (turns, 4th order) +WTURN6= 0.000000 (turns, 6th order) +WDFA_D= 0.000000 (DFA, distance) +WDFA_T= 0.000000 (DFA, torsional) +WDFA_N= 0.000000 (DFA, number of neighbor) +WDFA_B= 0.000000 (DFA, beta formation) + +Hydrogen-bonding correlation between contact pairs of peptide groups + +Scaling factor of 1,4 SC-p interactions: 0.400 +General scaling factor of SC-p interactions: 1.000 + +Energy-term weights (scaled): + +WSCC= 1.352790 (SC-SC) +WSCP= 1.593040 (SC-p) +WELEC= 0.715340 (p-p electr) +WVDWPP= 0.113710 (p-p VDW) +WBOND= 1.000000 (stretching) +WANG= 1.138730 (bending) +WSCLOC= 0.162580 (SC local) +WTOR= 1.985990 (torsional) +WTORD= 1.570690 (double torsional) +WSTRAIN= 1.000000 (SS bridges & dist. cnstr.) +WEL_LOC= 0.160360 (multi-body 3-rd order) +WCORR4= 0.428870 (multi-body 4th order) +WCORR5= 0.000000 (multi-body 5th order) +WCORR6= 0.000000 (multi-body 6th order) +WSCCOR= 0.000000 (back-scloc correlatkion) +WTURN3= 1.687220 (turns, 3rd order) +WTURN4= 0.662300 (turns, 4th order) +WTURN6= 0.000000 (turns, 6th order) +WDFA_D= 0.000000 (DFA, distance) +WDFA_T= 0.000000 (DFA, torsional) +WDFA_N= 0.000000 (DFA, number of neighbor) +WDFA_B= 0.000000 (DFA, beta formation) + Reference temperature for weights calculation: 300.000000000000 + Parameters of the SS-bond potential: + D0CM 3.78000000000000 AKCM 15.1000000000000 AKTH + 11.0000000000000 AKCT 12.0000000000000 + V1SS -1.08000000000000 V2SS 7.61000000000000 V3SS + 13.7000000000000 + EBR -5.50000000000000 + ITEL + 1 21 0 + 2 14 1 + 3 5 1 + 4 8 1 + 5 4 1 + 6 13 1 + 7 7 1 + 8 5 1 + 9 19 1 + 10 16 1 + 11 10 1 + 12 10 2 + 13 20 1 + 14 12 1 + 15 12 1 + 16 10 1 + 17 18 2 + 18 20 2 + 19 20 2 + 20 20 1 + 21 12 0 + ns= 0 iss: + NZ_START= 2 NZ_END= 21 + IZ_SC= 0 + +Geometry of the virtual chain. + Res d Theta Gamma Dsc Alpha Beta +D 1 0.000 0.000 0.000 0.000 0.000 0.000 +ASN 2 3.800 0.000 0.000 1.684 0.000 0.000 +LEU 3 3.800 0.000 0.000 1.939 0.000 0.000 +TYR 4 3.800 0.000 0.000 2.484 0.000 0.000 +ILE 5 3.800 0.000 0.000 1.776 0.000 0.000 +GLN 6 3.800 0.000 0.000 2.240 0.000 0.000 +TRP 7 3.800 0.000 0.000 2.605 0.000 0.000 +LEU 8 3.800 0.000 0.000 1.939 0.000 0.000 +LYS 9 3.800 0.000 0.000 2.541 0.000 0.000 +ASP 10 3.800 0.000 0.000 1.709 0.000 0.000 +GLY 11 3.800 0.000 0.000 0.000 0.000 0.000 +GLY 12 3.800 0.000 0.000 0.000 0.000 0.000 +PRO 13 3.800 0.000 0.000 1.345 0.000 0.000 +SER 14 3.800 0.000 0.000 1.150 0.000 0.000 +SER 15 3.800 0.000 0.000 1.150 0.000 0.000 +GLY 16 3.800 0.000 0.000 0.000 0.000 0.000 +ARG 17 3.800 0.000 0.000 3.020 0.000 0.000 +PRO 18 3.800 0.000 0.000 1.345 0.000 0.000 +PRO 19 3.800 0.000 0.000 1.345 0.000 0.000 +PRO 20 3.800 0.000 0.000 1.345 0.000 0.000 +SER 21 3.800 0.000 0.000 1.150 0.000 0.000 +D 22 3.800 0.000 0.000 0.000 0.000 0.000 + + +******************************************************************************** + Processor 40: end reading molecular data. +******************************************************************************** + + +CSA calculations calculation. + +Conformations will be energy-minimized. +******************************************************************************** + +Waiting for 0.4414 sec +Waiting for 1.1602 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec + Finishing minim_jlee - signal 0 from master +Waiting for 0.6797 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0508 sec +Waiting for 0.5156 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.5312 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.3398 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.4102 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.1758 sec +Waiting for 0.0000 sec +Waiting for 0.0195 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 1.1016 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.4062 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3359 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.7578 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 1.3984 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.3203 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3281 sec +Waiting for 0.0391 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0078 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.4805 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2969 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2188 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.2773 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2695 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3242 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3125 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.5508 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3398 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.3320 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3633 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.4180 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 1.1680 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3125 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3555 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2656 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.3398 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3125 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.4531 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2812 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3516 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3672 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2891 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3594 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0039 sec +Waiting for 0.3438 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2812 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3008 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3242 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.3477 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.1836 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2695 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.9609 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2500 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.5039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.3242 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.4844 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3281 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.9922 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3594 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3633 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3477 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.4102 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2930 sec + Finishing minim_jlee - signal 0 from master + End of minim, proc 40 time 67.8164062500000 +CG processor 40 is finishing work. + Total wall clock time 74.6992187500000 sec diff --git a/examples/unres/CSA/GAB/CSA/local/1l2y_csa.out_GB041 b/examples/unres/CSA/GAB/CSA/local/1l2y_csa.out_GB041 new file mode 100644 index 0000000..d488c61 --- /dev/null +++ b/examples/unres/CSA/GAB/CSA/local/1l2y_csa.out_GB041 @@ -0,0 +1,569 @@ +******************************************************************************** +United-residue force field calculation - parallel job. +******************************************************************************** + MPI: node= 41 iseed= -128509205 + ran_num 0.497596197297356 +RMSDBC = 3.0 +RMSDBC1 = 0.5 +RMSDBC1MAX = 1.5 +DRMS = 0.1 +RMSDBCM = 3.0 +Time limit (min): 960.0 + RESCALE_MODE 0 +Library routine used to diagonalize matrices. + +******************************************************************************** + Options in energy minimization: +******************************************************************************** +MaxMin: 3000 MaxFun: 1000MinMin: 3000 MinFun: 3000 TolF: 1.00000E-02 RTolF: 1.00000E-04 + NCONF_IN 0 + +Energy-term weights (unscaled): + +WSCC= 1.352790 (SC-SC) +WSCP= 1.593040 (SC-p) +WELEC= 0.715340 (p-p electr) +WVDWPP= 0.113710 (p-p VDW) +WBOND= 1.000000 (stretching) +WANG= 1.138730 (bending) +WSCLOC= 0.162580 (SC local) +WTOR= 1.985990 (torsional) +WTORD= 1.570690 (double torsional) +WSTRAIN= 1.000000 (SS bridges & dist. cnstr.) +WEL_LOC= 0.160360 (multi-body 3-rd order) +WCORR4= 0.428870 (multi-body 4th order) +WCORR5= 0.000000 (multi-body 5th order) +WCORR6= 0.000000 (multi-body 6th order) +WSCCOR= 0.000000 (back-scloc correlation) +WTURN3= 1.687220 (turns, 3rd order) +WTURN4= 0.662300 (turns, 4th order) +WTURN6= 0.000000 (turns, 6th order) +WDFA_D= 0.000000 (DFA, distance) +WDFA_T= 0.000000 (DFA, torsional) +WDFA_N= 0.000000 (DFA, number of neighbor) +WDFA_B= 0.000000 (DFA, beta formation) + +Hydrogen-bonding correlation between contact pairs of peptide groups + +Scaling factor of 1,4 SC-p interactions: 0.400 +General scaling factor of SC-p interactions: 1.000 + +Energy-term weights (scaled): + +WSCC= 1.352790 (SC-SC) +WSCP= 1.593040 (SC-p) +WELEC= 0.715340 (p-p electr) +WVDWPP= 0.113710 (p-p VDW) +WBOND= 1.000000 (stretching) +WANG= 1.138730 (bending) +WSCLOC= 0.162580 (SC local) +WTOR= 1.985990 (torsional) +WTORD= 1.570690 (double torsional) +WSTRAIN= 1.000000 (SS bridges & dist. cnstr.) +WEL_LOC= 0.160360 (multi-body 3-rd order) +WCORR4= 0.428870 (multi-body 4th order) +WCORR5= 0.000000 (multi-body 5th order) +WCORR6= 0.000000 (multi-body 6th order) +WSCCOR= 0.000000 (back-scloc correlatkion) +WTURN3= 1.687220 (turns, 3rd order) +WTURN4= 0.662300 (turns, 4th order) +WTURN6= 0.000000 (turns, 6th order) +WDFA_D= 0.000000 (DFA, distance) +WDFA_T= 0.000000 (DFA, torsional) +WDFA_N= 0.000000 (DFA, number of neighbor) +WDFA_B= 0.000000 (DFA, beta formation) + Reference temperature for weights calculation: 300.000000000000 + Parameters of the SS-bond potential: + D0CM 3.78000000000000 AKCM 15.1000000000000 AKTH + 11.0000000000000 AKCT 12.0000000000000 + V1SS -1.08000000000000 V2SS 7.61000000000000 V3SS + 13.7000000000000 + EBR -5.50000000000000 + ITEL + 1 21 0 + 2 14 1 + 3 5 1 + 4 8 1 + 5 4 1 + 6 13 1 + 7 7 1 + 8 5 1 + 9 19 1 + 10 16 1 + 11 10 1 + 12 10 2 + 13 20 1 + 14 12 1 + 15 12 1 + 16 10 1 + 17 18 2 + 18 20 2 + 19 20 2 + 20 20 1 + 21 12 0 + ns= 0 iss: + NZ_START= 2 NZ_END= 21 + IZ_SC= 0 + +Geometry of the virtual chain. + Res d Theta Gamma Dsc Alpha Beta +D 1 0.000 0.000 0.000 0.000 0.000 0.000 +ASN 2 3.800 0.000 0.000 1.684 0.000 0.000 +LEU 3 3.800 0.000 0.000 1.939 0.000 0.000 +TYR 4 3.800 0.000 0.000 2.484 0.000 0.000 +ILE 5 3.800 0.000 0.000 1.776 0.000 0.000 +GLN 6 3.800 0.000 0.000 2.240 0.000 0.000 +TRP 7 3.800 0.000 0.000 2.605 0.000 0.000 +LEU 8 3.800 0.000 0.000 1.939 0.000 0.000 +LYS 9 3.800 0.000 0.000 2.541 0.000 0.000 +ASP 10 3.800 0.000 0.000 1.709 0.000 0.000 +GLY 11 3.800 0.000 0.000 0.000 0.000 0.000 +GLY 12 3.800 0.000 0.000 0.000 0.000 0.000 +PRO 13 3.800 0.000 0.000 1.345 0.000 0.000 +SER 14 3.800 0.000 0.000 1.150 0.000 0.000 +SER 15 3.800 0.000 0.000 1.150 0.000 0.000 +GLY 16 3.800 0.000 0.000 0.000 0.000 0.000 +ARG 17 3.800 0.000 0.000 3.020 0.000 0.000 +PRO 18 3.800 0.000 0.000 1.345 0.000 0.000 +PRO 19 3.800 0.000 0.000 1.345 0.000 0.000 +PRO 20 3.800 0.000 0.000 1.345 0.000 0.000 +SER 21 3.800 0.000 0.000 1.150 0.000 0.000 +D 22 3.800 0.000 0.000 0.000 0.000 0.000 + + +******************************************************************************** + Processor 41: end reading molecular data. +******************************************************************************** + + +CSA calculations calculation. + +Conformations will be energy-minimized. +******************************************************************************** + +Waiting for 0.4375 sec +Waiting for 1.1953 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0625 sec +Waiting for 0.0000 sec + Finishing minim_jlee - signal 0 from master +Waiting for 0.6953 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0078 sec +Waiting for 0.5156 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.5156 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3086 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.5117 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3203 sec +Waiting for 0.0078 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 1.0859 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0195 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0078 sec +Waiting for 0.0039 sec +Waiting for 0.0039 sec +Waiting for 0.4102 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3359 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.7188 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 1.3945 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0078 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2891 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.1719 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.4609 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2422 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2617 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2773 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3047 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3125 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3086 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.5938 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3164 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3633 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3242 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.4336 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 1.1680 sec +Waiting for 0.0195 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2969 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3867 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3125 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.3359 sec +Waiting for 0.0000 sec +Waiting for 0.0273 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3008 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.4688 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.4375 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3906 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3672 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3516 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3555 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3672 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2891 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3281 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.1836 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3203 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.2930 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3359 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 1.0312 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.3906 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.4609 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.3438 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.4297 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3438 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 1.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3359 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2461 sec +Waiting for 0.0000 sec +Waiting for 0.0078 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3203 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.4219 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2578 sec + Finishing minim_jlee - signal 0 from master + End of minim, proc 41 time 67.8164062500000 +CG processor 41 is finishing work. + Total wall clock time 74.6992187500000 sec diff --git a/examples/unres/CSA/GAB/CSA/local/1l2y_csa.out_GB042 b/examples/unres/CSA/GAB/CSA/local/1l2y_csa.out_GB042 new file mode 100644 index 0000000..c724748 --- /dev/null +++ b/examples/unres/CSA/GAB/CSA/local/1l2y_csa.out_GB042 @@ -0,0 +1,576 @@ +******************************************************************************** +United-residue force field calculation - parallel job. +******************************************************************************** + MPI: node= 42 iseed= -131568948 + ran_num 0.771348443150135 +RMSDBC = 3.0 +RMSDBC1 = 0.5 +RMSDBC1MAX = 1.5 +DRMS = 0.1 +RMSDBCM = 3.0 +Time limit (min): 960.0 + RESCALE_MODE 0 +Library routine used to diagonalize matrices. + +******************************************************************************** + Options in energy minimization: +******************************************************************************** +MaxMin: 3000 MaxFun: 1000MinMin: 3000 MinFun: 3000 TolF: 1.00000E-02 RTolF: 1.00000E-04 + NCONF_IN 0 + +Energy-term weights (unscaled): + +WSCC= 1.352790 (SC-SC) +WSCP= 1.593040 (SC-p) +WELEC= 0.715340 (p-p electr) +WVDWPP= 0.113710 (p-p VDW) +WBOND= 1.000000 (stretching) +WANG= 1.138730 (bending) +WSCLOC= 0.162580 (SC local) +WTOR= 1.985990 (torsional) +WTORD= 1.570690 (double torsional) +WSTRAIN= 1.000000 (SS bridges & dist. cnstr.) +WEL_LOC= 0.160360 (multi-body 3-rd order) +WCORR4= 0.428870 (multi-body 4th order) +WCORR5= 0.000000 (multi-body 5th order) +WCORR6= 0.000000 (multi-body 6th order) +WSCCOR= 0.000000 (back-scloc correlation) +WTURN3= 1.687220 (turns, 3rd order) +WTURN4= 0.662300 (turns, 4th order) +WTURN6= 0.000000 (turns, 6th order) +WDFA_D= 0.000000 (DFA, distance) +WDFA_T= 0.000000 (DFA, torsional) +WDFA_N= 0.000000 (DFA, number of neighbor) +WDFA_B= 0.000000 (DFA, beta formation) + +Hydrogen-bonding correlation between contact pairs of peptide groups + +Scaling factor of 1,4 SC-p interactions: 0.400 +General scaling factor of SC-p interactions: 1.000 + +Energy-term weights (scaled): + +WSCC= 1.352790 (SC-SC) +WSCP= 1.593040 (SC-p) +WELEC= 0.715340 (p-p electr) +WVDWPP= 0.113710 (p-p VDW) +WBOND= 1.000000 (stretching) +WANG= 1.138730 (bending) +WSCLOC= 0.162580 (SC local) +WTOR= 1.985990 (torsional) +WTORD= 1.570690 (double torsional) +WSTRAIN= 1.000000 (SS bridges & dist. cnstr.) +WEL_LOC= 0.160360 (multi-body 3-rd order) +WCORR4= 0.428870 (multi-body 4th order) +WCORR5= 0.000000 (multi-body 5th order) +WCORR6= 0.000000 (multi-body 6th order) +WSCCOR= 0.000000 (back-scloc correlatkion) +WTURN3= 1.687220 (turns, 3rd order) +WTURN4= 0.662300 (turns, 4th order) +WTURN6= 0.000000 (turns, 6th order) +WDFA_D= 0.000000 (DFA, distance) +WDFA_T= 0.000000 (DFA, torsional) +WDFA_N= 0.000000 (DFA, number of neighbor) +WDFA_B= 0.000000 (DFA, beta formation) + Reference temperature for weights calculation: 300.000000000000 + Parameters of the SS-bond potential: + D0CM 3.78000000000000 AKCM 15.1000000000000 AKTH + 11.0000000000000 AKCT 12.0000000000000 + V1SS -1.08000000000000 V2SS 7.61000000000000 V3SS + 13.7000000000000 + EBR -5.50000000000000 + ITEL + 1 21 0 + 2 14 1 + 3 5 1 + 4 8 1 + 5 4 1 + 6 13 1 + 7 7 1 + 8 5 1 + 9 19 1 + 10 16 1 + 11 10 1 + 12 10 2 + 13 20 1 + 14 12 1 + 15 12 1 + 16 10 1 + 17 18 2 + 18 20 2 + 19 20 2 + 20 20 1 + 21 12 0 + ns= 0 iss: + NZ_START= 2 NZ_END= 21 + IZ_SC= 0 + +Geometry of the virtual chain. + Res d Theta Gamma Dsc Alpha Beta +D 1 0.000 0.000 0.000 0.000 0.000 0.000 +ASN 2 3.800 0.000 0.000 1.684 0.000 0.000 +LEU 3 3.800 0.000 0.000 1.939 0.000 0.000 +TYR 4 3.800 0.000 0.000 2.484 0.000 0.000 +ILE 5 3.800 0.000 0.000 1.776 0.000 0.000 +GLN 6 3.800 0.000 0.000 2.240 0.000 0.000 +TRP 7 3.800 0.000 0.000 2.605 0.000 0.000 +LEU 8 3.800 0.000 0.000 1.939 0.000 0.000 +LYS 9 3.800 0.000 0.000 2.541 0.000 0.000 +ASP 10 3.800 0.000 0.000 1.709 0.000 0.000 +GLY 11 3.800 0.000 0.000 0.000 0.000 0.000 +GLY 12 3.800 0.000 0.000 0.000 0.000 0.000 +PRO 13 3.800 0.000 0.000 1.345 0.000 0.000 +SER 14 3.800 0.000 0.000 1.150 0.000 0.000 +SER 15 3.800 0.000 0.000 1.150 0.000 0.000 +GLY 16 3.800 0.000 0.000 0.000 0.000 0.000 +ARG 17 3.800 0.000 0.000 3.020 0.000 0.000 +PRO 18 3.800 0.000 0.000 1.345 0.000 0.000 +PRO 19 3.800 0.000 0.000 1.345 0.000 0.000 +PRO 20 3.800 0.000 0.000 1.345 0.000 0.000 +SER 21 3.800 0.000 0.000 1.150 0.000 0.000 +D 22 3.800 0.000 0.000 0.000 0.000 0.000 + + +******************************************************************************** + Processor 42: end reading molecular data. +******************************************************************************** + + +CSA calculations calculation. + +Conformations will be energy-minimized. +******************************************************************************** + +Waiting for 0.4375 sec +Waiting for 1.2305 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0391 sec +Waiting for 0.0000 sec + Finishing minim_jlee - signal 0 from master +Waiting for 0.7070 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0586 sec +Waiting for 0.4609 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.5312 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2656 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.5195 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2695 sec +Waiting for 0.0820 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 1.1172 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0586 sec +Waiting for 0.0000 sec +Waiting for 0.4492 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3477 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.7617 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 1.3594 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3711 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.3242 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.5195 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2891 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2578 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2930 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2656 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3242 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.3438 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.5938 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3438 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3398 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.4023 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.4531 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 1.1016 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3008 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.4023 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3320 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3945 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3047 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.5156 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.4336 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3789 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3711 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.3750 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3086 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3555 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2695 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.3047 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3398 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3164 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3008 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3984 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.9844 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3828 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.4805 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3516 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.4258 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3828 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.9766 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3906 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.3672 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3242 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3828 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.3984 sec + Finishing minim_jlee - signal 0 from master + End of minim, proc 42 time 67.8164062500000 +CG processor 42 is finishing work. + Total wall clock time 74.6992187500000 sec diff --git a/examples/unres/CSA/GAB/CSA/local/1l2y_csa.out_GB043 b/examples/unres/CSA/GAB/CSA/local/1l2y_csa.out_GB043 new file mode 100644 index 0000000..88a7220 --- /dev/null +++ b/examples/unres/CSA/GAB/CSA/local/1l2y_csa.out_GB043 @@ -0,0 +1,547 @@ +******************************************************************************** +United-residue force field calculation - parallel job. +******************************************************************************** + MPI: node= 43 iseed= -134628691 + ran_num 4.510068900291453E-002 +RMSDBC = 3.0 +RMSDBC1 = 0.5 +RMSDBC1MAX = 1.5 +DRMS = 0.1 +RMSDBCM = 3.0 +Time limit (min): 960.0 + RESCALE_MODE 0 +Library routine used to diagonalize matrices. + +******************************************************************************** + Options in energy minimization: +******************************************************************************** +MaxMin: 3000 MaxFun: 1000MinMin: 3000 MinFun: 3000 TolF: 1.00000E-02 RTolF: 1.00000E-04 + NCONF_IN 0 + +Energy-term weights (unscaled): + +WSCC= 1.352790 (SC-SC) +WSCP= 1.593040 (SC-p) +WELEC= 0.715340 (p-p electr) +WVDWPP= 0.113710 (p-p VDW) +WBOND= 1.000000 (stretching) +WANG= 1.138730 (bending) +WSCLOC= 0.162580 (SC local) +WTOR= 1.985990 (torsional) +WTORD= 1.570690 (double torsional) +WSTRAIN= 1.000000 (SS bridges & dist. cnstr.) +WEL_LOC= 0.160360 (multi-body 3-rd order) +WCORR4= 0.428870 (multi-body 4th order) +WCORR5= 0.000000 (multi-body 5th order) +WCORR6= 0.000000 (multi-body 6th order) +WSCCOR= 0.000000 (back-scloc correlation) +WTURN3= 1.687220 (turns, 3rd order) +WTURN4= 0.662300 (turns, 4th order) +WTURN6= 0.000000 (turns, 6th order) +WDFA_D= 0.000000 (DFA, distance) +WDFA_T= 0.000000 (DFA, torsional) +WDFA_N= 0.000000 (DFA, number of neighbor) +WDFA_B= 0.000000 (DFA, beta formation) + +Hydrogen-bonding correlation between contact pairs of peptide groups + +Scaling factor of 1,4 SC-p interactions: 0.400 +General scaling factor of SC-p interactions: 1.000 + +Energy-term weights (scaled): + +WSCC= 1.352790 (SC-SC) +WSCP= 1.593040 (SC-p) +WELEC= 0.715340 (p-p electr) +WVDWPP= 0.113710 (p-p VDW) +WBOND= 1.000000 (stretching) +WANG= 1.138730 (bending) +WSCLOC= 0.162580 (SC local) +WTOR= 1.985990 (torsional) +WTORD= 1.570690 (double torsional) +WSTRAIN= 1.000000 (SS bridges & dist. cnstr.) +WEL_LOC= 0.160360 (multi-body 3-rd order) +WCORR4= 0.428870 (multi-body 4th order) +WCORR5= 0.000000 (multi-body 5th order) +WCORR6= 0.000000 (multi-body 6th order) +WSCCOR= 0.000000 (back-scloc correlatkion) +WTURN3= 1.687220 (turns, 3rd order) +WTURN4= 0.662300 (turns, 4th order) +WTURN6= 0.000000 (turns, 6th order) +WDFA_D= 0.000000 (DFA, distance) +WDFA_T= 0.000000 (DFA, torsional) +WDFA_N= 0.000000 (DFA, number of neighbor) +WDFA_B= 0.000000 (DFA, beta formation) + Reference temperature for weights calculation: 300.000000000000 + Parameters of the SS-bond potential: + D0CM 3.78000000000000 AKCM 15.1000000000000 AKTH + 11.0000000000000 AKCT 12.0000000000000 + V1SS -1.08000000000000 V2SS 7.61000000000000 V3SS + 13.7000000000000 + EBR -5.50000000000000 + ITEL + 1 21 0 + 2 14 1 + 3 5 1 + 4 8 1 + 5 4 1 + 6 13 1 + 7 7 1 + 8 5 1 + 9 19 1 + 10 16 1 + 11 10 1 + 12 10 2 + 13 20 1 + 14 12 1 + 15 12 1 + 16 10 1 + 17 18 2 + 18 20 2 + 19 20 2 + 20 20 1 + 21 12 0 + ns= 0 iss: + NZ_START= 2 NZ_END= 21 + IZ_SC= 0 + +Geometry of the virtual chain. + Res d Theta Gamma Dsc Alpha Beta +D 1 0.000 0.000 0.000 0.000 0.000 0.000 +ASN 2 3.800 0.000 0.000 1.684 0.000 0.000 +LEU 3 3.800 0.000 0.000 1.939 0.000 0.000 +TYR 4 3.800 0.000 0.000 2.484 0.000 0.000 +ILE 5 3.800 0.000 0.000 1.776 0.000 0.000 +GLN 6 3.800 0.000 0.000 2.240 0.000 0.000 +TRP 7 3.800 0.000 0.000 2.605 0.000 0.000 +LEU 8 3.800 0.000 0.000 1.939 0.000 0.000 +LYS 9 3.800 0.000 0.000 2.541 0.000 0.000 +ASP 10 3.800 0.000 0.000 1.709 0.000 0.000 +GLY 11 3.800 0.000 0.000 0.000 0.000 0.000 +GLY 12 3.800 0.000 0.000 0.000 0.000 0.000 +PRO 13 3.800 0.000 0.000 1.345 0.000 0.000 +SER 14 3.800 0.000 0.000 1.150 0.000 0.000 +SER 15 3.800 0.000 0.000 1.150 0.000 0.000 +GLY 16 3.800 0.000 0.000 0.000 0.000 0.000 +ARG 17 3.800 0.000 0.000 3.020 0.000 0.000 +PRO 18 3.800 0.000 0.000 1.345 0.000 0.000 +PRO 19 3.800 0.000 0.000 1.345 0.000 0.000 +PRO 20 3.800 0.000 0.000 1.345 0.000 0.000 +SER 21 3.800 0.000 0.000 1.150 0.000 0.000 +D 22 3.800 0.000 0.000 0.000 0.000 0.000 + + +******************************************************************************** + Processor 43: end reading molecular data. +******************************************************************************** + + +CSA calculations calculation. + +Conformations will be energy-minimized. +******************************************************************************** + +Waiting for 0.4570 sec +Waiting for 1.1328 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.1094 sec +Waiting for 0.0000 sec + Finishing minim_jlee - signal 0 from master +Waiting for 0.6836 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.1523 sec +Waiting for 0.5234 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0039 sec +Waiting for 0.5000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3281 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0039 sec +Waiting for 0.4180 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3555 sec +Waiting for 0.0000 sec +Waiting for 0.0898 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 1.0742 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0273 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.4336 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3477 sec +Waiting for 0.0273 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.7227 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 1.4258 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0586 sec +Waiting for 0.3711 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2461 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.4688 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3164 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2578 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2773 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2852 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3164 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3633 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.5273 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3672 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.3320 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3906 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.4375 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 1.1680 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3359 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3711 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3281 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.2305 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2891 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.4492 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3672 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3633 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3359 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3633 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3633 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2812 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2773 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3477 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3281 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3047 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2539 sec +Waiting for 0.0000 sec +Waiting for 0.0078 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0078 sec +Waiting for 0.0000 sec +Waiting for 0.3125 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 1.0117 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3867 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.4961 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3594 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.4922 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.3086 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 1.0078 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3789 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3398 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3477 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.4219 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.4219 sec + Finishing minim_jlee - signal 0 from master + End of minim, proc 43 time 67.8164062500000 +CG processor 43 is finishing work. + Total wall clock time 74.7031250000000 sec diff --git a/examples/unres/CSA/GAB/CSA/local/1l2y_csa.out_GB044 b/examples/unres/CSA/GAB/CSA/local/1l2y_csa.out_GB044 new file mode 100644 index 0000000..2d87d25 --- /dev/null +++ b/examples/unres/CSA/GAB/CSA/local/1l2y_csa.out_GB044 @@ -0,0 +1,537 @@ +******************************************************************************** +United-residue force field calculation - parallel job. +******************************************************************************** + MPI: node= 44 iseed= -137688434 + ran_num 0.318852934855694 +RMSDBC = 3.0 +RMSDBC1 = 0.5 +RMSDBC1MAX = 1.5 +DRMS = 0.1 +RMSDBCM = 3.0 +Time limit (min): 960.0 + RESCALE_MODE 0 +Library routine used to diagonalize matrices. + +******************************************************************************** + Options in energy minimization: +******************************************************************************** +MaxMin: 3000 MaxFun: 1000MinMin: 3000 MinFun: 3000 TolF: 1.00000E-02 RTolF: 1.00000E-04 + NCONF_IN 0 + +Energy-term weights (unscaled): + +WSCC= 1.352790 (SC-SC) +WSCP= 1.593040 (SC-p) +WELEC= 0.715340 (p-p electr) +WVDWPP= 0.113710 (p-p VDW) +WBOND= 1.000000 (stretching) +WANG= 1.138730 (bending) +WSCLOC= 0.162580 (SC local) +WTOR= 1.985990 (torsional) +WTORD= 1.570690 (double torsional) +WSTRAIN= 1.000000 (SS bridges & dist. cnstr.) +WEL_LOC= 0.160360 (multi-body 3-rd order) +WCORR4= 0.428870 (multi-body 4th order) +WCORR5= 0.000000 (multi-body 5th order) +WCORR6= 0.000000 (multi-body 6th order) +WSCCOR= 0.000000 (back-scloc correlation) +WTURN3= 1.687220 (turns, 3rd order) +WTURN4= 0.662300 (turns, 4th order) +WTURN6= 0.000000 (turns, 6th order) +WDFA_D= 0.000000 (DFA, distance) +WDFA_T= 0.000000 (DFA, torsional) +WDFA_N= 0.000000 (DFA, number of neighbor) +WDFA_B= 0.000000 (DFA, beta formation) + +Hydrogen-bonding correlation between contact pairs of peptide groups + +Scaling factor of 1,4 SC-p interactions: 0.400 +General scaling factor of SC-p interactions: 1.000 + +Energy-term weights (scaled): + +WSCC= 1.352790 (SC-SC) +WSCP= 1.593040 (SC-p) +WELEC= 0.715340 (p-p electr) +WVDWPP= 0.113710 (p-p VDW) +WBOND= 1.000000 (stretching) +WANG= 1.138730 (bending) +WSCLOC= 0.162580 (SC local) +WTOR= 1.985990 (torsional) +WTORD= 1.570690 (double torsional) +WSTRAIN= 1.000000 (SS bridges & dist. cnstr.) +WEL_LOC= 0.160360 (multi-body 3-rd order) +WCORR4= 0.428870 (multi-body 4th order) +WCORR5= 0.000000 (multi-body 5th order) +WCORR6= 0.000000 (multi-body 6th order) +WSCCOR= 0.000000 (back-scloc correlatkion) +WTURN3= 1.687220 (turns, 3rd order) +WTURN4= 0.662300 (turns, 4th order) +WTURN6= 0.000000 (turns, 6th order) +WDFA_D= 0.000000 (DFA, distance) +WDFA_T= 0.000000 (DFA, torsional) +WDFA_N= 0.000000 (DFA, number of neighbor) +WDFA_B= 0.000000 (DFA, beta formation) + Reference temperature for weights calculation: 300.000000000000 + Parameters of the SS-bond potential: + D0CM 3.78000000000000 AKCM 15.1000000000000 AKTH + 11.0000000000000 AKCT 12.0000000000000 + V1SS -1.08000000000000 V2SS 7.61000000000000 V3SS + 13.7000000000000 + EBR -5.50000000000000 + ITEL + 1 21 0 + 2 14 1 + 3 5 1 + 4 8 1 + 5 4 1 + 6 13 1 + 7 7 1 + 8 5 1 + 9 19 1 + 10 16 1 + 11 10 1 + 12 10 2 + 13 20 1 + 14 12 1 + 15 12 1 + 16 10 1 + 17 18 2 + 18 20 2 + 19 20 2 + 20 20 1 + 21 12 0 + ns= 0 iss: + NZ_START= 2 NZ_END= 21 + IZ_SC= 0 + +Geometry of the virtual chain. + Res d Theta Gamma Dsc Alpha Beta +D 1 0.000 0.000 0.000 0.000 0.000 0.000 +ASN 2 3.800 0.000 0.000 1.684 0.000 0.000 +LEU 3 3.800 0.000 0.000 1.939 0.000 0.000 +TYR 4 3.800 0.000 0.000 2.484 0.000 0.000 +ILE 5 3.800 0.000 0.000 1.776 0.000 0.000 +GLN 6 3.800 0.000 0.000 2.240 0.000 0.000 +TRP 7 3.800 0.000 0.000 2.605 0.000 0.000 +LEU 8 3.800 0.000 0.000 1.939 0.000 0.000 +LYS 9 3.800 0.000 0.000 2.541 0.000 0.000 +ASP 10 3.800 0.000 0.000 1.709 0.000 0.000 +GLY 11 3.800 0.000 0.000 0.000 0.000 0.000 +GLY 12 3.800 0.000 0.000 0.000 0.000 0.000 +PRO 13 3.800 0.000 0.000 1.345 0.000 0.000 +SER 14 3.800 0.000 0.000 1.150 0.000 0.000 +SER 15 3.800 0.000 0.000 1.150 0.000 0.000 +GLY 16 3.800 0.000 0.000 0.000 0.000 0.000 +ARG 17 3.800 0.000 0.000 3.020 0.000 0.000 +PRO 18 3.800 0.000 0.000 1.345 0.000 0.000 +PRO 19 3.800 0.000 0.000 1.345 0.000 0.000 +PRO 20 3.800 0.000 0.000 1.345 0.000 0.000 +SER 21 3.800 0.000 0.000 1.150 0.000 0.000 +D 22 3.800 0.000 0.000 0.000 0.000 0.000 + + +******************************************************************************** + Processor 44: end reading molecular data. +******************************************************************************** + + +CSA calculations calculation. + +Conformations will be energy-minimized. +******************************************************************************** + +Waiting for 0.4414 sec +Waiting for 1.1602 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0234 sec +Waiting for 0.0000 sec + Finishing minim_jlee - signal 0 from master +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.5117 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3164 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.4688 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3242 sec +Waiting for 0.0859 sec +Waiting for 0.0664 sec +Waiting for 0.0117 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 1.0938 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0352 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.4258 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3555 sec +Waiting for 0.0312 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.7617 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 1.4258 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3672 sec +Waiting for 0.0156 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2891 sec +Waiting for 0.0000 sec +Waiting for 0.0234 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.4688 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3125 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3125 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3086 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.3320 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.2461 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3320 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.5859 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3555 sec +Waiting for 0.0117 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2578 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3750 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.4844 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 1.1094 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0078 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3008 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.4102 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.3320 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3633 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0508 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2773 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.5352 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.4180 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3867 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3125 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.3398 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3086 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3789 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2539 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3359 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3281 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2266 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3008 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3594 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.9414 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3477 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.4883 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3555 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.4922 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3477 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.9766 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3867 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2930 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0039 sec +Waiting for 0.3438 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.4062 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.4141 sec + Finishing minim_jlee - signal 0 from master + End of minim, proc 44 time 64.7578125000000 +CG processor 44 is finishing work. + Total wall clock time 74.6992187500000 sec diff --git a/examples/unres/CSA/GAB/CSA/local/1l2y_csa.out_GB045 b/examples/unres/CSA/GAB/CSA/local/1l2y_csa.out_GB045 new file mode 100644 index 0000000..03bb7a8 --- /dev/null +++ b/examples/unres/CSA/GAB/CSA/local/1l2y_csa.out_GB045 @@ -0,0 +1,540 @@ +******************************************************************************** +United-residue force field calculation - parallel job. +******************************************************************************** + MPI: node= 45 iseed= -140748177 + ran_num 0.592605180708473 +RMSDBC = 3.0 +RMSDBC1 = 0.5 +RMSDBC1MAX = 1.5 +DRMS = 0.1 +RMSDBCM = 3.0 +Time limit (min): 960.0 + RESCALE_MODE 0 +Library routine used to diagonalize matrices. + +******************************************************************************** + Options in energy minimization: +******************************************************************************** +MaxMin: 3000 MaxFun: 1000MinMin: 3000 MinFun: 3000 TolF: 1.00000E-02 RTolF: 1.00000E-04 + NCONF_IN 0 + +Energy-term weights (unscaled): + +WSCC= 1.352790 (SC-SC) +WSCP= 1.593040 (SC-p) +WELEC= 0.715340 (p-p electr) +WVDWPP= 0.113710 (p-p VDW) +WBOND= 1.000000 (stretching) +WANG= 1.138730 (bending) +WSCLOC= 0.162580 (SC local) +WTOR= 1.985990 (torsional) +WTORD= 1.570690 (double torsional) +WSTRAIN= 1.000000 (SS bridges & dist. cnstr.) +WEL_LOC= 0.160360 (multi-body 3-rd order) +WCORR4= 0.428870 (multi-body 4th order) +WCORR5= 0.000000 (multi-body 5th order) +WCORR6= 0.000000 (multi-body 6th order) +WSCCOR= 0.000000 (back-scloc correlation) +WTURN3= 1.687220 (turns, 3rd order) +WTURN4= 0.662300 (turns, 4th order) +WTURN6= 0.000000 (turns, 6th order) +WDFA_D= 0.000000 (DFA, distance) +WDFA_T= 0.000000 (DFA, torsional) +WDFA_N= 0.000000 (DFA, number of neighbor) +WDFA_B= 0.000000 (DFA, beta formation) + +Hydrogen-bonding correlation between contact pairs of peptide groups + +Scaling factor of 1,4 SC-p interactions: 0.400 +General scaling factor of SC-p interactions: 1.000 + +Energy-term weights (scaled): + +WSCC= 1.352790 (SC-SC) +WSCP= 1.593040 (SC-p) +WELEC= 0.715340 (p-p electr) +WVDWPP= 0.113710 (p-p VDW) +WBOND= 1.000000 (stretching) +WANG= 1.138730 (bending) +WSCLOC= 0.162580 (SC local) +WTOR= 1.985990 (torsional) +WTORD= 1.570690 (double torsional) +WSTRAIN= 1.000000 (SS bridges & dist. cnstr.) +WEL_LOC= 0.160360 (multi-body 3-rd order) +WCORR4= 0.428870 (multi-body 4th order) +WCORR5= 0.000000 (multi-body 5th order) +WCORR6= 0.000000 (multi-body 6th order) +WSCCOR= 0.000000 (back-scloc correlatkion) +WTURN3= 1.687220 (turns, 3rd order) +WTURN4= 0.662300 (turns, 4th order) +WTURN6= 0.000000 (turns, 6th order) +WDFA_D= 0.000000 (DFA, distance) +WDFA_T= 0.000000 (DFA, torsional) +WDFA_N= 0.000000 (DFA, number of neighbor) +WDFA_B= 0.000000 (DFA, beta formation) + Reference temperature for weights calculation: 300.000000000000 + Parameters of the SS-bond potential: + D0CM 3.78000000000000 AKCM 15.1000000000000 AKTH + 11.0000000000000 AKCT 12.0000000000000 + V1SS -1.08000000000000 V2SS 7.61000000000000 V3SS + 13.7000000000000 + EBR -5.50000000000000 + ITEL + 1 21 0 + 2 14 1 + 3 5 1 + 4 8 1 + 5 4 1 + 6 13 1 + 7 7 1 + 8 5 1 + 9 19 1 + 10 16 1 + 11 10 1 + 12 10 2 + 13 20 1 + 14 12 1 + 15 12 1 + 16 10 1 + 17 18 2 + 18 20 2 + 19 20 2 + 20 20 1 + 21 12 0 + ns= 0 iss: + NZ_START= 2 NZ_END= 21 + IZ_SC= 0 + +Geometry of the virtual chain. + Res d Theta Gamma Dsc Alpha Beta +D 1 0.000 0.000 0.000 0.000 0.000 0.000 +ASN 2 3.800 0.000 0.000 1.684 0.000 0.000 +LEU 3 3.800 0.000 0.000 1.939 0.000 0.000 +TYR 4 3.800 0.000 0.000 2.484 0.000 0.000 +ILE 5 3.800 0.000 0.000 1.776 0.000 0.000 +GLN 6 3.800 0.000 0.000 2.240 0.000 0.000 +TRP 7 3.800 0.000 0.000 2.605 0.000 0.000 +LEU 8 3.800 0.000 0.000 1.939 0.000 0.000 +LYS 9 3.800 0.000 0.000 2.541 0.000 0.000 +ASP 10 3.800 0.000 0.000 1.709 0.000 0.000 +GLY 11 3.800 0.000 0.000 0.000 0.000 0.000 +GLY 12 3.800 0.000 0.000 0.000 0.000 0.000 +PRO 13 3.800 0.000 0.000 1.345 0.000 0.000 +SER 14 3.800 0.000 0.000 1.150 0.000 0.000 +SER 15 3.800 0.000 0.000 1.150 0.000 0.000 +GLY 16 3.800 0.000 0.000 0.000 0.000 0.000 +ARG 17 3.800 0.000 0.000 3.020 0.000 0.000 +PRO 18 3.800 0.000 0.000 1.345 0.000 0.000 +PRO 19 3.800 0.000 0.000 1.345 0.000 0.000 +PRO 20 3.800 0.000 0.000 1.345 0.000 0.000 +SER 21 3.800 0.000 0.000 1.150 0.000 0.000 +D 22 3.800 0.000 0.000 0.000 0.000 0.000 + + +******************************************************************************** + Processor 45: end reading molecular data. +******************************************************************************** + + +CSA calculations calculation. + +Conformations will be energy-minimized. +******************************************************************************** + +Waiting for 0.4570 sec +Waiting for 0.0000 sec +Waiting for 1.1094 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec + Finishing minim_jlee - signal 0 from master +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.4844 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3281 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0039 sec +Waiting for 0.5078 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3008 sec +Waiting for 0.0625 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 1.0938 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0508 sec +Waiting for 0.0000 sec +Waiting for 0.4531 sec +Waiting for 0.0117 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2930 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.6953 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 1.4102 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0430 sec +Waiting for 0.3438 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3164 sec +Waiting for 0.0000 sec +Waiting for 0.0156 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.4727 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0078 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2656 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2695 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2461 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2539 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3281 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3281 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.5430 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2969 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2344 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3672 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.4453 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 1.0938 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.3164 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3945 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.2734 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3867 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2930 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.5273 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.4414 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.3789 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3320 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3711 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3555 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3828 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3086 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3281 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3008 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.3438 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2773 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2891 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 1.0078 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3867 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.4883 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3125 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.4688 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3633 sec +Waiting for 0.0234 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.9727 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3281 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3438 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2773 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3711 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3789 sec + Finishing minim_jlee - signal 0 from master + End of minim, proc 45 time 64.7460937500000 +CG processor 45 is finishing work. + Total wall clock time 74.6992187500000 sec diff --git a/examples/unres/CSA/GAB/CSA/local/1l2y_csa.out_GB046 b/examples/unres/CSA/GAB/CSA/local/1l2y_csa.out_GB046 new file mode 100644 index 0000000..51a1063 --- /dev/null +++ b/examples/unres/CSA/GAB/CSA/local/1l2y_csa.out_GB046 @@ -0,0 +1,558 @@ +******************************************************************************** +United-residue force field calculation - parallel job. +******************************************************************************** + MPI: node= 46 iseed= -143807920 + ran_num 0.866357426561253 +RMSDBC = 3.0 +RMSDBC1 = 0.5 +RMSDBC1MAX = 1.5 +DRMS = 0.1 +RMSDBCM = 3.0 +Time limit (min): 960.0 + RESCALE_MODE 0 +Library routine used to diagonalize matrices. + +******************************************************************************** + Options in energy minimization: +******************************************************************************** +MaxMin: 3000 MaxFun: 1000MinMin: 3000 MinFun: 3000 TolF: 1.00000E-02 RTolF: 1.00000E-04 + NCONF_IN 0 + +Energy-term weights (unscaled): + +WSCC= 1.352790 (SC-SC) +WSCP= 1.593040 (SC-p) +WELEC= 0.715340 (p-p electr) +WVDWPP= 0.113710 (p-p VDW) +WBOND= 1.000000 (stretching) +WANG= 1.138730 (bending) +WSCLOC= 0.162580 (SC local) +WTOR= 1.985990 (torsional) +WTORD= 1.570690 (double torsional) +WSTRAIN= 1.000000 (SS bridges & dist. cnstr.) +WEL_LOC= 0.160360 (multi-body 3-rd order) +WCORR4= 0.428870 (multi-body 4th order) +WCORR5= 0.000000 (multi-body 5th order) +WCORR6= 0.000000 (multi-body 6th order) +WSCCOR= 0.000000 (back-scloc correlation) +WTURN3= 1.687220 (turns, 3rd order) +WTURN4= 0.662300 (turns, 4th order) +WTURN6= 0.000000 (turns, 6th order) +WDFA_D= 0.000000 (DFA, distance) +WDFA_T= 0.000000 (DFA, torsional) +WDFA_N= 0.000000 (DFA, number of neighbor) +WDFA_B= 0.000000 (DFA, beta formation) + +Hydrogen-bonding correlation between contact pairs of peptide groups + +Scaling factor of 1,4 SC-p interactions: 0.400 +General scaling factor of SC-p interactions: 1.000 + +Energy-term weights (scaled): + +WSCC= 1.352790 (SC-SC) +WSCP= 1.593040 (SC-p) +WELEC= 0.715340 (p-p electr) +WVDWPP= 0.113710 (p-p VDW) +WBOND= 1.000000 (stretching) +WANG= 1.138730 (bending) +WSCLOC= 0.162580 (SC local) +WTOR= 1.985990 (torsional) +WTORD= 1.570690 (double torsional) +WSTRAIN= 1.000000 (SS bridges & dist. cnstr.) +WEL_LOC= 0.160360 (multi-body 3-rd order) +WCORR4= 0.428870 (multi-body 4th order) +WCORR5= 0.000000 (multi-body 5th order) +WCORR6= 0.000000 (multi-body 6th order) +WSCCOR= 0.000000 (back-scloc correlatkion) +WTURN3= 1.687220 (turns, 3rd order) +WTURN4= 0.662300 (turns, 4th order) +WTURN6= 0.000000 (turns, 6th order) +WDFA_D= 0.000000 (DFA, distance) +WDFA_T= 0.000000 (DFA, torsional) +WDFA_N= 0.000000 (DFA, number of neighbor) +WDFA_B= 0.000000 (DFA, beta formation) + Reference temperature for weights calculation: 300.000000000000 + Parameters of the SS-bond potential: + D0CM 3.78000000000000 AKCM 15.1000000000000 AKTH + 11.0000000000000 AKCT 12.0000000000000 + V1SS -1.08000000000000 V2SS 7.61000000000000 V3SS + 13.7000000000000 + EBR -5.50000000000000 + ITEL + 1 21 0 + 2 14 1 + 3 5 1 + 4 8 1 + 5 4 1 + 6 13 1 + 7 7 1 + 8 5 1 + 9 19 1 + 10 16 1 + 11 10 1 + 12 10 2 + 13 20 1 + 14 12 1 + 15 12 1 + 16 10 1 + 17 18 2 + 18 20 2 + 19 20 2 + 20 20 1 + 21 12 0 + ns= 0 iss: + NZ_START= 2 NZ_END= 21 + IZ_SC= 0 + +Geometry of the virtual chain. + Res d Theta Gamma Dsc Alpha Beta +D 1 0.000 0.000 0.000 0.000 0.000 0.000 +ASN 2 3.800 0.000 0.000 1.684 0.000 0.000 +LEU 3 3.800 0.000 0.000 1.939 0.000 0.000 +TYR 4 3.800 0.000 0.000 2.484 0.000 0.000 +ILE 5 3.800 0.000 0.000 1.776 0.000 0.000 +GLN 6 3.800 0.000 0.000 2.240 0.000 0.000 +TRP 7 3.800 0.000 0.000 2.605 0.000 0.000 +LEU 8 3.800 0.000 0.000 1.939 0.000 0.000 +LYS 9 3.800 0.000 0.000 2.541 0.000 0.000 +ASP 10 3.800 0.000 0.000 1.709 0.000 0.000 +GLY 11 3.800 0.000 0.000 0.000 0.000 0.000 +GLY 12 3.800 0.000 0.000 0.000 0.000 0.000 +PRO 13 3.800 0.000 0.000 1.345 0.000 0.000 +SER 14 3.800 0.000 0.000 1.150 0.000 0.000 +SER 15 3.800 0.000 0.000 1.150 0.000 0.000 +GLY 16 3.800 0.000 0.000 0.000 0.000 0.000 +ARG 17 3.800 0.000 0.000 3.020 0.000 0.000 +PRO 18 3.800 0.000 0.000 1.345 0.000 0.000 +PRO 19 3.800 0.000 0.000 1.345 0.000 0.000 +PRO 20 3.800 0.000 0.000 1.345 0.000 0.000 +SER 21 3.800 0.000 0.000 1.150 0.000 0.000 +D 22 3.800 0.000 0.000 0.000 0.000 0.000 + + +******************************************************************************** + Processor 46: end reading molecular data. +******************************************************************************** + + +CSA calculations calculation. + +Conformations will be energy-minimized. +******************************************************************************** + +Waiting for 0.4453 sec +Waiting for 1.1992 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec + Finishing minim_jlee - signal 0 from master +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.5352 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3164 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.5195 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3438 sec +Waiting for 0.0000 sec +Waiting for 0.0469 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 1.0703 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.4219 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3789 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.7109 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 1.3320 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3438 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2773 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0430 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.4023 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3047 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2188 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2852 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3281 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3125 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2734 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.4961 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3359 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3555 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3555 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.4453 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 1.1836 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3242 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3398 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3242 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.4023 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2539 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.4727 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.4453 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3867 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.3242 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.3828 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3789 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.3516 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.1758 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3164 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3359 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2812 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3320 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0078 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3945 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 1.0195 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3945 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.5195 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2734 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.4609 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.2578 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0078 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 1.0117 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2930 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3320 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3281 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.3125 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.3789 sec + Finishing minim_jlee - signal 0 from master + End of minim, proc 46 time 64.8359375000000 +CG processor 46 is finishing work. + Total wall clock time 74.6953125000000 sec diff --git a/examples/unres/CSA/GAB/CSA/local/1l2y_csa.out_GB047 b/examples/unres/CSA/GAB/CSA/local/1l2y_csa.out_GB047 new file mode 100644 index 0000000..1e192be --- /dev/null +++ b/examples/unres/CSA/GAB/CSA/local/1l2y_csa.out_GB047 @@ -0,0 +1,545 @@ +******************************************************************************** +United-residue force field calculation - parallel job. +******************************************************************************** + MPI: node= 47 iseed= -146867663 + ran_num 0.140109672414032 +RMSDBC = 3.0 +RMSDBC1 = 0.5 +RMSDBC1MAX = 1.5 +DRMS = 0.1 +RMSDBCM = 3.0 +Time limit (min): 960.0 + RESCALE_MODE 0 +Library routine used to diagonalize matrices. + +******************************************************************************** + Options in energy minimization: +******************************************************************************** +MaxMin: 3000 MaxFun: 1000MinMin: 3000 MinFun: 3000 TolF: 1.00000E-02 RTolF: 1.00000E-04 + NCONF_IN 0 + +Energy-term weights (unscaled): + +WSCC= 1.352790 (SC-SC) +WSCP= 1.593040 (SC-p) +WELEC= 0.715340 (p-p electr) +WVDWPP= 0.113710 (p-p VDW) +WBOND= 1.000000 (stretching) +WANG= 1.138730 (bending) +WSCLOC= 0.162580 (SC local) +WTOR= 1.985990 (torsional) +WTORD= 1.570690 (double torsional) +WSTRAIN= 1.000000 (SS bridges & dist. cnstr.) +WEL_LOC= 0.160360 (multi-body 3-rd order) +WCORR4= 0.428870 (multi-body 4th order) +WCORR5= 0.000000 (multi-body 5th order) +WCORR6= 0.000000 (multi-body 6th order) +WSCCOR= 0.000000 (back-scloc correlation) +WTURN3= 1.687220 (turns, 3rd order) +WTURN4= 0.662300 (turns, 4th order) +WTURN6= 0.000000 (turns, 6th order) +WDFA_D= 0.000000 (DFA, distance) +WDFA_T= 0.000000 (DFA, torsional) +WDFA_N= 0.000000 (DFA, number of neighbor) +WDFA_B= 0.000000 (DFA, beta formation) + +Hydrogen-bonding correlation between contact pairs of peptide groups + +Scaling factor of 1,4 SC-p interactions: 0.400 +General scaling factor of SC-p interactions: 1.000 + +Energy-term weights (scaled): + +WSCC= 1.352790 (SC-SC) +WSCP= 1.593040 (SC-p) +WELEC= 0.715340 (p-p electr) +WVDWPP= 0.113710 (p-p VDW) +WBOND= 1.000000 (stretching) +WANG= 1.138730 (bending) +WSCLOC= 0.162580 (SC local) +WTOR= 1.985990 (torsional) +WTORD= 1.570690 (double torsional) +WSTRAIN= 1.000000 (SS bridges & dist. cnstr.) +WEL_LOC= 0.160360 (multi-body 3-rd order) +WCORR4= 0.428870 (multi-body 4th order) +WCORR5= 0.000000 (multi-body 5th order) +WCORR6= 0.000000 (multi-body 6th order) +WSCCOR= 0.000000 (back-scloc correlatkion) +WTURN3= 1.687220 (turns, 3rd order) +WTURN4= 0.662300 (turns, 4th order) +WTURN6= 0.000000 (turns, 6th order) +WDFA_D= 0.000000 (DFA, distance) +WDFA_T= 0.000000 (DFA, torsional) +WDFA_N= 0.000000 (DFA, number of neighbor) +WDFA_B= 0.000000 (DFA, beta formation) + Reference temperature for weights calculation: 300.000000000000 + Parameters of the SS-bond potential: + D0CM 3.78000000000000 AKCM 15.1000000000000 AKTH + 11.0000000000000 AKCT 12.0000000000000 + V1SS -1.08000000000000 V2SS 7.61000000000000 V3SS + 13.7000000000000 + EBR -5.50000000000000 + ITEL + 1 21 0 + 2 14 1 + 3 5 1 + 4 8 1 + 5 4 1 + 6 13 1 + 7 7 1 + 8 5 1 + 9 19 1 + 10 16 1 + 11 10 1 + 12 10 2 + 13 20 1 + 14 12 1 + 15 12 1 + 16 10 1 + 17 18 2 + 18 20 2 + 19 20 2 + 20 20 1 + 21 12 0 + ns= 0 iss: + NZ_START= 2 NZ_END= 21 + IZ_SC= 0 + +Geometry of the virtual chain. + Res d Theta Gamma Dsc Alpha Beta +D 1 0.000 0.000 0.000 0.000 0.000 0.000 +ASN 2 3.800 0.000 0.000 1.684 0.000 0.000 +LEU 3 3.800 0.000 0.000 1.939 0.000 0.000 +TYR 4 3.800 0.000 0.000 2.484 0.000 0.000 +ILE 5 3.800 0.000 0.000 1.776 0.000 0.000 +GLN 6 3.800 0.000 0.000 2.240 0.000 0.000 +TRP 7 3.800 0.000 0.000 2.605 0.000 0.000 +LEU 8 3.800 0.000 0.000 1.939 0.000 0.000 +LYS 9 3.800 0.000 0.000 2.541 0.000 0.000 +ASP 10 3.800 0.000 0.000 1.709 0.000 0.000 +GLY 11 3.800 0.000 0.000 0.000 0.000 0.000 +GLY 12 3.800 0.000 0.000 0.000 0.000 0.000 +PRO 13 3.800 0.000 0.000 1.345 0.000 0.000 +SER 14 3.800 0.000 0.000 1.150 0.000 0.000 +SER 15 3.800 0.000 0.000 1.150 0.000 0.000 +GLY 16 3.800 0.000 0.000 0.000 0.000 0.000 +ARG 17 3.800 0.000 0.000 3.020 0.000 0.000 +PRO 18 3.800 0.000 0.000 1.345 0.000 0.000 +PRO 19 3.800 0.000 0.000 1.345 0.000 0.000 +PRO 20 3.800 0.000 0.000 1.345 0.000 0.000 +SER 21 3.800 0.000 0.000 1.150 0.000 0.000 +D 22 3.800 0.000 0.000 0.000 0.000 0.000 + + +******************************************************************************** + Processor 47: end reading molecular data. +******************************************************************************** + + +CSA calculations calculation. + +Conformations will be energy-minimized. +******************************************************************************** + +Waiting for 0.4375 sec +Waiting for 1.2148 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0664 sec +Waiting for 0.0000 sec + Finishing minim_jlee - signal 0 from master +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.5000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3438 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.4648 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3164 sec +Waiting for 0.0000 sec +Waiting for 0.0547 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 1.0859 sec +Waiting for 0.0547 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.4414 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3281 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.7383 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 1.4297 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0312 sec +Waiting for 0.0000 sec +Waiting for 0.3750 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.2930 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.4219 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2930 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3281 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2617 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3047 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2969 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3438 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.5977 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3477 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2461 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3828 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.4414 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 1.0859 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3555 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.3672 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.2734 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3281 sec +Waiting for 0.0000 sec +Waiting for 0.0664 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3086 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.5312 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.4414 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2969 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.3281 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2734 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.3789 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3711 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2578 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0039 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.3438 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.2578 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2773 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3047 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.3828 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 1.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.3672 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.5156 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3555 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.4961 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3594 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 1.0117 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3828 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2773 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.3438 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3242 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.4102 sec + Finishing minim_jlee - signal 0 from master + End of minim, proc 47 time 64.8554687500000 +CG processor 47 is finishing work. + Total wall clock time 74.6992187500000 sec diff --git a/examples/unres/CSA/GAB/CSA/local/1l2y_csa.out_GB048 b/examples/unres/CSA/GAB/CSA/local/1l2y_csa.out_GB048 new file mode 100644 index 0000000..8e7c90f --- /dev/null +++ b/examples/unres/CSA/GAB/CSA/local/1l2y_csa.out_GB048 @@ -0,0 +1,559 @@ +******************************************************************************** +United-residue force field calculation - parallel job. +******************************************************************************** + MPI: node= 48 iseed= -149927406 + ran_num 0.413861918266812 +RMSDBC = 3.0 +RMSDBC1 = 0.5 +RMSDBC1MAX = 1.5 +DRMS = 0.1 +RMSDBCM = 3.0 +Time limit (min): 960.0 + RESCALE_MODE 0 +Library routine used to diagonalize matrices. + +******************************************************************************** + Options in energy minimization: +******************************************************************************** +MaxMin: 3000 MaxFun: 1000MinMin: 3000 MinFun: 3000 TolF: 1.00000E-02 RTolF: 1.00000E-04 + NCONF_IN 0 + +Energy-term weights (unscaled): + +WSCC= 1.352790 (SC-SC) +WSCP= 1.593040 (SC-p) +WELEC= 0.715340 (p-p electr) +WVDWPP= 0.113710 (p-p VDW) +WBOND= 1.000000 (stretching) +WANG= 1.138730 (bending) +WSCLOC= 0.162580 (SC local) +WTOR= 1.985990 (torsional) +WTORD= 1.570690 (double torsional) +WSTRAIN= 1.000000 (SS bridges & dist. cnstr.) +WEL_LOC= 0.160360 (multi-body 3-rd order) +WCORR4= 0.428870 (multi-body 4th order) +WCORR5= 0.000000 (multi-body 5th order) +WCORR6= 0.000000 (multi-body 6th order) +WSCCOR= 0.000000 (back-scloc correlation) +WTURN3= 1.687220 (turns, 3rd order) +WTURN4= 0.662300 (turns, 4th order) +WTURN6= 0.000000 (turns, 6th order) +WDFA_D= 0.000000 (DFA, distance) +WDFA_T= 0.000000 (DFA, torsional) +WDFA_N= 0.000000 (DFA, number of neighbor) +WDFA_B= 0.000000 (DFA, beta formation) + +Hydrogen-bonding correlation between contact pairs of peptide groups + +Scaling factor of 1,4 SC-p interactions: 0.400 +General scaling factor of SC-p interactions: 1.000 + +Energy-term weights (scaled): + +WSCC= 1.352790 (SC-SC) +WSCP= 1.593040 (SC-p) +WELEC= 0.715340 (p-p electr) +WVDWPP= 0.113710 (p-p VDW) +WBOND= 1.000000 (stretching) +WANG= 1.138730 (bending) +WSCLOC= 0.162580 (SC local) +WTOR= 1.985990 (torsional) +WTORD= 1.570690 (double torsional) +WSTRAIN= 1.000000 (SS bridges & dist. cnstr.) +WEL_LOC= 0.160360 (multi-body 3-rd order) +WCORR4= 0.428870 (multi-body 4th order) +WCORR5= 0.000000 (multi-body 5th order) +WCORR6= 0.000000 (multi-body 6th order) +WSCCOR= 0.000000 (back-scloc correlatkion) +WTURN3= 1.687220 (turns, 3rd order) +WTURN4= 0.662300 (turns, 4th order) +WTURN6= 0.000000 (turns, 6th order) +WDFA_D= 0.000000 (DFA, distance) +WDFA_T= 0.000000 (DFA, torsional) +WDFA_N= 0.000000 (DFA, number of neighbor) +WDFA_B= 0.000000 (DFA, beta formation) + Reference temperature for weights calculation: 300.000000000000 + Parameters of the SS-bond potential: + D0CM 3.78000000000000 AKCM 15.1000000000000 AKTH + 11.0000000000000 AKCT 12.0000000000000 + V1SS -1.08000000000000 V2SS 7.61000000000000 V3SS + 13.7000000000000 + EBR -5.50000000000000 + ITEL + 1 21 0 + 2 14 1 + 3 5 1 + 4 8 1 + 5 4 1 + 6 13 1 + 7 7 1 + 8 5 1 + 9 19 1 + 10 16 1 + 11 10 1 + 12 10 2 + 13 20 1 + 14 12 1 + 15 12 1 + 16 10 1 + 17 18 2 + 18 20 2 + 19 20 2 + 20 20 1 + 21 12 0 + ns= 0 iss: + NZ_START= 2 NZ_END= 21 + IZ_SC= 0 + +Geometry of the virtual chain. + Res d Theta Gamma Dsc Alpha Beta +D 1 0.000 0.000 0.000 0.000 0.000 0.000 +ASN 2 3.800 0.000 0.000 1.684 0.000 0.000 +LEU 3 3.800 0.000 0.000 1.939 0.000 0.000 +TYR 4 3.800 0.000 0.000 2.484 0.000 0.000 +ILE 5 3.800 0.000 0.000 1.776 0.000 0.000 +GLN 6 3.800 0.000 0.000 2.240 0.000 0.000 +TRP 7 3.800 0.000 0.000 2.605 0.000 0.000 +LEU 8 3.800 0.000 0.000 1.939 0.000 0.000 +LYS 9 3.800 0.000 0.000 2.541 0.000 0.000 +ASP 10 3.800 0.000 0.000 1.709 0.000 0.000 +GLY 11 3.800 0.000 0.000 0.000 0.000 0.000 +GLY 12 3.800 0.000 0.000 0.000 0.000 0.000 +PRO 13 3.800 0.000 0.000 1.345 0.000 0.000 +SER 14 3.800 0.000 0.000 1.150 0.000 0.000 +SER 15 3.800 0.000 0.000 1.150 0.000 0.000 +GLY 16 3.800 0.000 0.000 0.000 0.000 0.000 +ARG 17 3.800 0.000 0.000 3.020 0.000 0.000 +PRO 18 3.800 0.000 0.000 1.345 0.000 0.000 +PRO 19 3.800 0.000 0.000 1.345 0.000 0.000 +PRO 20 3.800 0.000 0.000 1.345 0.000 0.000 +SER 21 3.800 0.000 0.000 1.150 0.000 0.000 +D 22 3.800 0.000 0.000 0.000 0.000 0.000 + + +******************************************************************************** + Processor 48: end reading molecular data. +******************************************************************************** + + +CSA calculations calculation. + +Conformations will be energy-minimized. +******************************************************************************** + +Waiting for 0.4297 sec +Waiting for 1.2461 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec + Finishing minim_jlee - signal 0 from master +Waiting for 0.6797 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0547 sec +Waiting for 0.5938 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.4922 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3398 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.4453 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3477 sec +Waiting for 0.0391 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.9688 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.4219 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3359 sec +Waiting for 0.0078 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.7656 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 1.4258 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3594 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3086 sec +Waiting for 0.0000 sec +Waiting for 0.0352 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.5039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2812 sec +Waiting for 0.0117 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2539 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2734 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3242 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3242 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3438 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.5898 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3672 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2852 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0078 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3984 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.4492 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 1.1562 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3398 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.3789 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3086 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3047 sec +Waiting for 0.0000 sec +Waiting for 0.0234 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.2578 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.5000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.4102 sec +Waiting for 0.0078 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3477 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2930 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2461 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3750 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3867 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2891 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3125 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2930 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3633 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.2031 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3477 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.9688 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.3945 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.5156 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3086 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3906 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2656 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.9375 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3750 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2812 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3398 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3750 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.3789 sec + Finishing minim_jlee - signal 0 from master + End of minim, proc 48 time 67.8164062500000 +CG processor 48 is finishing work. + Total wall clock time 74.6875000000000 sec diff --git a/examples/unres/CSA/GAB/CSA/local/1l2y_csa.out_GB049 b/examples/unres/CSA/GAB/CSA/local/1l2y_csa.out_GB049 new file mode 100644 index 0000000..0d63b6f --- /dev/null +++ b/examples/unres/CSA/GAB/CSA/local/1l2y_csa.out_GB049 @@ -0,0 +1,565 @@ +******************************************************************************** +United-residue force field calculation - parallel job. +******************************************************************************** + MPI: node= 49 iseed= -152987149 + ran_num 0.687614164119591 +RMSDBC = 3.0 +RMSDBC1 = 0.5 +RMSDBC1MAX = 1.5 +DRMS = 0.1 +RMSDBCM = 3.0 +Time limit (min): 960.0 + RESCALE_MODE 0 +Library routine used to diagonalize matrices. + +******************************************************************************** + Options in energy minimization: +******************************************************************************** +MaxMin: 3000 MaxFun: 1000MinMin: 3000 MinFun: 3000 TolF: 1.00000E-02 RTolF: 1.00000E-04 + NCONF_IN 0 + +Energy-term weights (unscaled): + +WSCC= 1.352790 (SC-SC) +WSCP= 1.593040 (SC-p) +WELEC= 0.715340 (p-p electr) +WVDWPP= 0.113710 (p-p VDW) +WBOND= 1.000000 (stretching) +WANG= 1.138730 (bending) +WSCLOC= 0.162580 (SC local) +WTOR= 1.985990 (torsional) +WTORD= 1.570690 (double torsional) +WSTRAIN= 1.000000 (SS bridges & dist. cnstr.) +WEL_LOC= 0.160360 (multi-body 3-rd order) +WCORR4= 0.428870 (multi-body 4th order) +WCORR5= 0.000000 (multi-body 5th order) +WCORR6= 0.000000 (multi-body 6th order) +WSCCOR= 0.000000 (back-scloc correlation) +WTURN3= 1.687220 (turns, 3rd order) +WTURN4= 0.662300 (turns, 4th order) +WTURN6= 0.000000 (turns, 6th order) +WDFA_D= 0.000000 (DFA, distance) +WDFA_T= 0.000000 (DFA, torsional) +WDFA_N= 0.000000 (DFA, number of neighbor) +WDFA_B= 0.000000 (DFA, beta formation) + +Hydrogen-bonding correlation between contact pairs of peptide groups + +Scaling factor of 1,4 SC-p interactions: 0.400 +General scaling factor of SC-p interactions: 1.000 + +Energy-term weights (scaled): + +WSCC= 1.352790 (SC-SC) +WSCP= 1.593040 (SC-p) +WELEC= 0.715340 (p-p electr) +WVDWPP= 0.113710 (p-p VDW) +WBOND= 1.000000 (stretching) +WANG= 1.138730 (bending) +WSCLOC= 0.162580 (SC local) +WTOR= 1.985990 (torsional) +WTORD= 1.570690 (double torsional) +WSTRAIN= 1.000000 (SS bridges & dist. cnstr.) +WEL_LOC= 0.160360 (multi-body 3-rd order) +WCORR4= 0.428870 (multi-body 4th order) +WCORR5= 0.000000 (multi-body 5th order) +WCORR6= 0.000000 (multi-body 6th order) +WSCCOR= 0.000000 (back-scloc correlatkion) +WTURN3= 1.687220 (turns, 3rd order) +WTURN4= 0.662300 (turns, 4th order) +WTURN6= 0.000000 (turns, 6th order) +WDFA_D= 0.000000 (DFA, distance) +WDFA_T= 0.000000 (DFA, torsional) +WDFA_N= 0.000000 (DFA, number of neighbor) +WDFA_B= 0.000000 (DFA, beta formation) + Reference temperature for weights calculation: 300.000000000000 + Parameters of the SS-bond potential: + D0CM 3.78000000000000 AKCM 15.1000000000000 AKTH + 11.0000000000000 AKCT 12.0000000000000 + V1SS -1.08000000000000 V2SS 7.61000000000000 V3SS + 13.7000000000000 + EBR -5.50000000000000 + ITEL + 1 21 0 + 2 14 1 + 3 5 1 + 4 8 1 + 5 4 1 + 6 13 1 + 7 7 1 + 8 5 1 + 9 19 1 + 10 16 1 + 11 10 1 + 12 10 2 + 13 20 1 + 14 12 1 + 15 12 1 + 16 10 1 + 17 18 2 + 18 20 2 + 19 20 2 + 20 20 1 + 21 12 0 + ns= 0 iss: + NZ_START= 2 NZ_END= 21 + IZ_SC= 0 + +Geometry of the virtual chain. + Res d Theta Gamma Dsc Alpha Beta +D 1 0.000 0.000 0.000 0.000 0.000 0.000 +ASN 2 3.800 0.000 0.000 1.684 0.000 0.000 +LEU 3 3.800 0.000 0.000 1.939 0.000 0.000 +TYR 4 3.800 0.000 0.000 2.484 0.000 0.000 +ILE 5 3.800 0.000 0.000 1.776 0.000 0.000 +GLN 6 3.800 0.000 0.000 2.240 0.000 0.000 +TRP 7 3.800 0.000 0.000 2.605 0.000 0.000 +LEU 8 3.800 0.000 0.000 1.939 0.000 0.000 +LYS 9 3.800 0.000 0.000 2.541 0.000 0.000 +ASP 10 3.800 0.000 0.000 1.709 0.000 0.000 +GLY 11 3.800 0.000 0.000 0.000 0.000 0.000 +GLY 12 3.800 0.000 0.000 0.000 0.000 0.000 +PRO 13 3.800 0.000 0.000 1.345 0.000 0.000 +SER 14 3.800 0.000 0.000 1.150 0.000 0.000 +SER 15 3.800 0.000 0.000 1.150 0.000 0.000 +GLY 16 3.800 0.000 0.000 0.000 0.000 0.000 +ARG 17 3.800 0.000 0.000 3.020 0.000 0.000 +PRO 18 3.800 0.000 0.000 1.345 0.000 0.000 +PRO 19 3.800 0.000 0.000 1.345 0.000 0.000 +PRO 20 3.800 0.000 0.000 1.345 0.000 0.000 +SER 21 3.800 0.000 0.000 1.150 0.000 0.000 +D 22 3.800 0.000 0.000 0.000 0.000 0.000 + + +******************************************************************************** + Processor 49: end reading molecular data. +******************************************************************************** + + +CSA calculations calculation. + +Conformations will be energy-minimized. +******************************************************************************** + +Waiting for 0.4258 sec +Waiting for 1.2422 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0508 sec +Waiting for 0.0000 sec + Finishing minim_jlee - signal 0 from master +Waiting for 0.6836 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.5898 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.5352 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3164 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.4883 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3320 sec +Waiting for 0.0781 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 1.0781 sec +Waiting for 0.0508 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.4297 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2500 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.7734 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 1.4023 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0547 sec +Waiting for 0.0039 sec +Waiting for 0.3516 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3477 sec +Waiting for 0.0312 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.5000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3008 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2383 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2734 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3125 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3164 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2969 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.5742 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3125 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3672 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3164 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.4688 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 1.1523 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3281 sec +Waiting for 0.0000 sec +Waiting for 0.0078 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3867 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3164 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3906 sec +Waiting for 0.0000 sec +Waiting for 0.0586 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3008 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.5234 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.4492 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2656 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2617 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3828 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3594 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3398 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3086 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2734 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.2539 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.3008 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2422 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.4023 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.9570 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3984 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.5195 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3633 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.4766 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3516 sec +Waiting for 0.0508 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.9766 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3555 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3555 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3320 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3555 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3750 sec + Finishing minim_jlee - signal 0 from master + End of minim, proc 49 time 67.8164062500000 +CG processor 49 is finishing work. + Total wall clock time 74.6953125000000 sec diff --git a/examples/unres/CSA/GAB/CSA/local/1l2y_csa.out_GB050 b/examples/unres/CSA/GAB/CSA/local/1l2y_csa.out_GB050 new file mode 100644 index 0000000..bf6a8f3 --- /dev/null +++ b/examples/unres/CSA/GAB/CSA/local/1l2y_csa.out_GB050 @@ -0,0 +1,560 @@ +******************************************************************************** +United-residue force field calculation - parallel job. +******************************************************************************** + MPI: node= 50 iseed= -156046892 + ran_num 0.961366409972371 +RMSDBC = 3.0 +RMSDBC1 = 0.5 +RMSDBC1MAX = 1.5 +DRMS = 0.1 +RMSDBCM = 3.0 +Time limit (min): 960.0 + RESCALE_MODE 0 +Library routine used to diagonalize matrices. + +******************************************************************************** + Options in energy minimization: +******************************************************************************** +MaxMin: 3000 MaxFun: 1000MinMin: 3000 MinFun: 3000 TolF: 1.00000E-02 RTolF: 1.00000E-04 + NCONF_IN 0 + +Energy-term weights (unscaled): + +WSCC= 1.352790 (SC-SC) +WSCP= 1.593040 (SC-p) +WELEC= 0.715340 (p-p electr) +WVDWPP= 0.113710 (p-p VDW) +WBOND= 1.000000 (stretching) +WANG= 1.138730 (bending) +WSCLOC= 0.162580 (SC local) +WTOR= 1.985990 (torsional) +WTORD= 1.570690 (double torsional) +WSTRAIN= 1.000000 (SS bridges & dist. cnstr.) +WEL_LOC= 0.160360 (multi-body 3-rd order) +WCORR4= 0.428870 (multi-body 4th order) +WCORR5= 0.000000 (multi-body 5th order) +WCORR6= 0.000000 (multi-body 6th order) +WSCCOR= 0.000000 (back-scloc correlation) +WTURN3= 1.687220 (turns, 3rd order) +WTURN4= 0.662300 (turns, 4th order) +WTURN6= 0.000000 (turns, 6th order) +WDFA_D= 0.000000 (DFA, distance) +WDFA_T= 0.000000 (DFA, torsional) +WDFA_N= 0.000000 (DFA, number of neighbor) +WDFA_B= 0.000000 (DFA, beta formation) + +Hydrogen-bonding correlation between contact pairs of peptide groups + +Scaling factor of 1,4 SC-p interactions: 0.400 +General scaling factor of SC-p interactions: 1.000 + +Energy-term weights (scaled): + +WSCC= 1.352790 (SC-SC) +WSCP= 1.593040 (SC-p) +WELEC= 0.715340 (p-p electr) +WVDWPP= 0.113710 (p-p VDW) +WBOND= 1.000000 (stretching) +WANG= 1.138730 (bending) +WSCLOC= 0.162580 (SC local) +WTOR= 1.985990 (torsional) +WTORD= 1.570690 (double torsional) +WSTRAIN= 1.000000 (SS bridges & dist. cnstr.) +WEL_LOC= 0.160360 (multi-body 3-rd order) +WCORR4= 0.428870 (multi-body 4th order) +WCORR5= 0.000000 (multi-body 5th order) +WCORR6= 0.000000 (multi-body 6th order) +WSCCOR= 0.000000 (back-scloc correlatkion) +WTURN3= 1.687220 (turns, 3rd order) +WTURN4= 0.662300 (turns, 4th order) +WTURN6= 0.000000 (turns, 6th order) +WDFA_D= 0.000000 (DFA, distance) +WDFA_T= 0.000000 (DFA, torsional) +WDFA_N= 0.000000 (DFA, number of neighbor) +WDFA_B= 0.000000 (DFA, beta formation) + Reference temperature for weights calculation: 300.000000000000 + Parameters of the SS-bond potential: + D0CM 3.78000000000000 AKCM 15.1000000000000 AKTH + 11.0000000000000 AKCT 12.0000000000000 + V1SS -1.08000000000000 V2SS 7.61000000000000 V3SS + 13.7000000000000 + EBR -5.50000000000000 + ITEL + 1 21 0 + 2 14 1 + 3 5 1 + 4 8 1 + 5 4 1 + 6 13 1 + 7 7 1 + 8 5 1 + 9 19 1 + 10 16 1 + 11 10 1 + 12 10 2 + 13 20 1 + 14 12 1 + 15 12 1 + 16 10 1 + 17 18 2 + 18 20 2 + 19 20 2 + 20 20 1 + 21 12 0 + ns= 0 iss: + NZ_START= 2 NZ_END= 21 + IZ_SC= 0 + +Geometry of the virtual chain. + Res d Theta Gamma Dsc Alpha Beta +D 1 0.000 0.000 0.000 0.000 0.000 0.000 +ASN 2 3.800 0.000 0.000 1.684 0.000 0.000 +LEU 3 3.800 0.000 0.000 1.939 0.000 0.000 +TYR 4 3.800 0.000 0.000 2.484 0.000 0.000 +ILE 5 3.800 0.000 0.000 1.776 0.000 0.000 +GLN 6 3.800 0.000 0.000 2.240 0.000 0.000 +TRP 7 3.800 0.000 0.000 2.605 0.000 0.000 +LEU 8 3.800 0.000 0.000 1.939 0.000 0.000 +LYS 9 3.800 0.000 0.000 2.541 0.000 0.000 +ASP 10 3.800 0.000 0.000 1.709 0.000 0.000 +GLY 11 3.800 0.000 0.000 0.000 0.000 0.000 +GLY 12 3.800 0.000 0.000 0.000 0.000 0.000 +PRO 13 3.800 0.000 0.000 1.345 0.000 0.000 +SER 14 3.800 0.000 0.000 1.150 0.000 0.000 +SER 15 3.800 0.000 0.000 1.150 0.000 0.000 +GLY 16 3.800 0.000 0.000 0.000 0.000 0.000 +ARG 17 3.800 0.000 0.000 3.020 0.000 0.000 +PRO 18 3.800 0.000 0.000 1.345 0.000 0.000 +PRO 19 3.800 0.000 0.000 1.345 0.000 0.000 +PRO 20 3.800 0.000 0.000 1.345 0.000 0.000 +SER 21 3.800 0.000 0.000 1.150 0.000 0.000 +D 22 3.800 0.000 0.000 0.000 0.000 0.000 + + +******************************************************************************** + Processor 50: end reading molecular data. +******************************************************************************** + + +CSA calculations calculation. + +Conformations will be energy-minimized. +******************************************************************************** + +Waiting for 0.4453 sec +Waiting for 1.2305 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec + Finishing minim_jlee - signal 0 from master +Waiting for 0.6797 sec +Waiting for 0.0273 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.1211 sec +Waiting for 0.0000 sec +Waiting for 0.5469 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.5000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2695 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.5352 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2969 sec +Waiting for 0.0000 sec +Waiting for 0.0430 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 1.0586 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.4492 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3398 sec +Waiting for 0.0273 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.7188 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 1.4102 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0391 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3633 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2852 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.4805 sec +Waiting for 0.0039 sec +Waiting for 0.0039 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2227 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2969 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2773 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.2031 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.3125 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3203 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.5234 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3711 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3438 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3633 sec +Waiting for 0.0234 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.4727 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 1.1797 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3086 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3984 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2578 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3438 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2812 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.5156 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.4336 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3945 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3438 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3594 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3281 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3398 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2656 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3281 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3125 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3555 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3086 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.4102 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 1.0078 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3945 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.5391 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3203 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.4336 sec +Waiting for 0.0039 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3633 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.9609 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3828 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.3359 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.3359 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.4023 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3906 sec + Finishing minim_jlee - signal 0 from master + End of minim, proc 50 time 67.8125000000000 +CG processor 50 is finishing work. + Total wall clock time 74.6953125000000 sec diff --git a/examples/unres/CSA/GAB/CSA/local/1l2y_csa.out_GB051 b/examples/unres/CSA/GAB/CSA/local/1l2y_csa.out_GB051 new file mode 100644 index 0000000..c08e013 --- /dev/null +++ b/examples/unres/CSA/GAB/CSA/local/1l2y_csa.out_GB051 @@ -0,0 +1,537 @@ +******************************************************************************** +United-residue force field calculation - parallel job. +******************************************************************************** + MPI: node= 51 iseed= -159106635 + ran_num 0.235118655825150 +RMSDBC = 3.0 +RMSDBC1 = 0.5 +RMSDBC1MAX = 1.5 +DRMS = 0.1 +RMSDBCM = 3.0 +Time limit (min): 960.0 + RESCALE_MODE 0 +Library routine used to diagonalize matrices. + +******************************************************************************** + Options in energy minimization: +******************************************************************************** +MaxMin: 3000 MaxFun: 1000MinMin: 3000 MinFun: 3000 TolF: 1.00000E-02 RTolF: 1.00000E-04 + NCONF_IN 0 + +Energy-term weights (unscaled): + +WSCC= 1.352790 (SC-SC) +WSCP= 1.593040 (SC-p) +WELEC= 0.715340 (p-p electr) +WVDWPP= 0.113710 (p-p VDW) +WBOND= 1.000000 (stretching) +WANG= 1.138730 (bending) +WSCLOC= 0.162580 (SC local) +WTOR= 1.985990 (torsional) +WTORD= 1.570690 (double torsional) +WSTRAIN= 1.000000 (SS bridges & dist. cnstr.) +WEL_LOC= 0.160360 (multi-body 3-rd order) +WCORR4= 0.428870 (multi-body 4th order) +WCORR5= 0.000000 (multi-body 5th order) +WCORR6= 0.000000 (multi-body 6th order) +WSCCOR= 0.000000 (back-scloc correlation) +WTURN3= 1.687220 (turns, 3rd order) +WTURN4= 0.662300 (turns, 4th order) +WTURN6= 0.000000 (turns, 6th order) +WDFA_D= 0.000000 (DFA, distance) +WDFA_T= 0.000000 (DFA, torsional) +WDFA_N= 0.000000 (DFA, number of neighbor) +WDFA_B= 0.000000 (DFA, beta formation) + +Hydrogen-bonding correlation between contact pairs of peptide groups + +Scaling factor of 1,4 SC-p interactions: 0.400 +General scaling factor of SC-p interactions: 1.000 + +Energy-term weights (scaled): + +WSCC= 1.352790 (SC-SC) +WSCP= 1.593040 (SC-p) +WELEC= 0.715340 (p-p electr) +WVDWPP= 0.113710 (p-p VDW) +WBOND= 1.000000 (stretching) +WANG= 1.138730 (bending) +WSCLOC= 0.162580 (SC local) +WTOR= 1.985990 (torsional) +WTORD= 1.570690 (double torsional) +WSTRAIN= 1.000000 (SS bridges & dist. cnstr.) +WEL_LOC= 0.160360 (multi-body 3-rd order) +WCORR4= 0.428870 (multi-body 4th order) +WCORR5= 0.000000 (multi-body 5th order) +WCORR6= 0.000000 (multi-body 6th order) +WSCCOR= 0.000000 (back-scloc correlatkion) +WTURN3= 1.687220 (turns, 3rd order) +WTURN4= 0.662300 (turns, 4th order) +WTURN6= 0.000000 (turns, 6th order) +WDFA_D= 0.000000 (DFA, distance) +WDFA_T= 0.000000 (DFA, torsional) +WDFA_N= 0.000000 (DFA, number of neighbor) +WDFA_B= 0.000000 (DFA, beta formation) + Reference temperature for weights calculation: 300.000000000000 + Parameters of the SS-bond potential: + D0CM 3.78000000000000 AKCM 15.1000000000000 AKTH + 11.0000000000000 AKCT 12.0000000000000 + V1SS -1.08000000000000 V2SS 7.61000000000000 V3SS + 13.7000000000000 + EBR -5.50000000000000 + ITEL + 1 21 0 + 2 14 1 + 3 5 1 + 4 8 1 + 5 4 1 + 6 13 1 + 7 7 1 + 8 5 1 + 9 19 1 + 10 16 1 + 11 10 1 + 12 10 2 + 13 20 1 + 14 12 1 + 15 12 1 + 16 10 1 + 17 18 2 + 18 20 2 + 19 20 2 + 20 20 1 + 21 12 0 + ns= 0 iss: + NZ_START= 2 NZ_END= 21 + IZ_SC= 0 + +Geometry of the virtual chain. + Res d Theta Gamma Dsc Alpha Beta +D 1 0.000 0.000 0.000 0.000 0.000 0.000 +ASN 2 3.800 0.000 0.000 1.684 0.000 0.000 +LEU 3 3.800 0.000 0.000 1.939 0.000 0.000 +TYR 4 3.800 0.000 0.000 2.484 0.000 0.000 +ILE 5 3.800 0.000 0.000 1.776 0.000 0.000 +GLN 6 3.800 0.000 0.000 2.240 0.000 0.000 +TRP 7 3.800 0.000 0.000 2.605 0.000 0.000 +LEU 8 3.800 0.000 0.000 1.939 0.000 0.000 +LYS 9 3.800 0.000 0.000 2.541 0.000 0.000 +ASP 10 3.800 0.000 0.000 1.709 0.000 0.000 +GLY 11 3.800 0.000 0.000 0.000 0.000 0.000 +GLY 12 3.800 0.000 0.000 0.000 0.000 0.000 +PRO 13 3.800 0.000 0.000 1.345 0.000 0.000 +SER 14 3.800 0.000 0.000 1.150 0.000 0.000 +SER 15 3.800 0.000 0.000 1.150 0.000 0.000 +GLY 16 3.800 0.000 0.000 0.000 0.000 0.000 +ARG 17 3.800 0.000 0.000 3.020 0.000 0.000 +PRO 18 3.800 0.000 0.000 1.345 0.000 0.000 +PRO 19 3.800 0.000 0.000 1.345 0.000 0.000 +PRO 20 3.800 0.000 0.000 1.345 0.000 0.000 +SER 21 3.800 0.000 0.000 1.150 0.000 0.000 +D 22 3.800 0.000 0.000 0.000 0.000 0.000 + + +******************************************************************************** + Processor 51: end reading molecular data. +******************************************************************************** + + +CSA calculations calculation. + +Conformations will be energy-minimized. +******************************************************************************** + +Waiting for 0.4375 sec +Waiting for 1.2188 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec + Finishing minim_jlee - signal 0 from master +Waiting for 0.6836 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.1094 sec +Waiting for 0.5820 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.5039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3672 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.4570 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2344 sec +Waiting for 0.0273 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 1.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0625 sec +Waiting for 0.0000 sec +Waiting for 0.3828 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3125 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.7461 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 1.4297 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0234 sec +Waiting for 0.0391 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3672 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2695 sec +Waiting for 0.0000 sec +Waiting for 0.0078 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.4727 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2930 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2930 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3242 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.2656 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3047 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2617 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.5195 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3711 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2773 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3711 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.4688 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 1.1758 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3359 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3828 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.1680 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3477 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2422 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.4219 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.4414 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3906 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3633 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.3828 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3516 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3867 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2539 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0078 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2656 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2578 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2383 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.3047 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3906 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 1.0195 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3398 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.4531 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3203 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.4922 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2578 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.8906 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3398 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3281 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2891 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.4102 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2930 sec + Finishing minim_jlee - signal 0 from master + End of minim, proc 51 time 67.8125000000000 +CG processor 51 is finishing work. + Total wall clock time 74.6953125000000 sec diff --git a/examples/unres/CSA/GAB/CSA/local/1l2y_csa.out_GB052 b/examples/unres/CSA/GAB/CSA/local/1l2y_csa.out_GB052 new file mode 100644 index 0000000..d98d364 --- /dev/null +++ b/examples/unres/CSA/GAB/CSA/local/1l2y_csa.out_GB052 @@ -0,0 +1,416 @@ +******************************************************************************** +United-residue force field calculation - parallel job. +******************************************************************************** + MPI: node= 52 iseed= -162166378 + ran_num 0.508870901677930 +RMSDBC = 3.0 +RMSDBC1 = 0.5 +RMSDBC1MAX = 1.5 +DRMS = 0.1 +RMSDBCM = 3.0 +Time limit (min): 960.0 + RESCALE_MODE 0 +Library routine used to diagonalize matrices. + +******************************************************************************** + Options in energy minimization: +******************************************************************************** +MaxMin: 3000 MaxFun: 1000MinMin: 3000 MinFun: 3000 TolF: 1.00000E-02 RTolF: 1.00000E-04 + NCONF_IN 0 + +Energy-term weights (unscaled): + +WSCC= 1.352790 (SC-SC) +WSCP= 1.593040 (SC-p) +WELEC= 0.715340 (p-p electr) +WVDWPP= 0.113710 (p-p VDW) +WBOND= 1.000000 (stretching) +WANG= 1.138730 (bending) +WSCLOC= 0.162580 (SC local) +WTOR= 1.985990 (torsional) +WTORD= 1.570690 (double torsional) +WSTRAIN= 1.000000 (SS bridges & dist. cnstr.) +WEL_LOC= 0.160360 (multi-body 3-rd order) +WCORR4= 0.428870 (multi-body 4th order) +WCORR5= 0.000000 (multi-body 5th order) +WCORR6= 0.000000 (multi-body 6th order) +WSCCOR= 0.000000 (back-scloc correlation) +WTURN3= 1.687220 (turns, 3rd order) +WTURN4= 0.662300 (turns, 4th order) +WTURN6= 0.000000 (turns, 6th order) +WDFA_D= 0.000000 (DFA, distance) +WDFA_T= 0.000000 (DFA, torsional) +WDFA_N= 0.000000 (DFA, number of neighbor) +WDFA_B= 0.000000 (DFA, beta formation) + +Hydrogen-bonding correlation between contact pairs of peptide groups + +Scaling factor of 1,4 SC-p interactions: 0.400 +General scaling factor of SC-p interactions: 1.000 + +Energy-term weights (scaled): + +WSCC= 1.352790 (SC-SC) +WSCP= 1.593040 (SC-p) +WELEC= 0.715340 (p-p electr) +WVDWPP= 0.113710 (p-p VDW) +WBOND= 1.000000 (stretching) +WANG= 1.138730 (bending) +WSCLOC= 0.162580 (SC local) +WTOR= 1.985990 (torsional) +WTORD= 1.570690 (double torsional) +WSTRAIN= 1.000000 (SS bridges & dist. cnstr.) +WEL_LOC= 0.160360 (multi-body 3-rd order) +WCORR4= 0.428870 (multi-body 4th order) +WCORR5= 0.000000 (multi-body 5th order) +WCORR6= 0.000000 (multi-body 6th order) +WSCCOR= 0.000000 (back-scloc correlatkion) +WTURN3= 1.687220 (turns, 3rd order) +WTURN4= 0.662300 (turns, 4th order) +WTURN6= 0.000000 (turns, 6th order) +WDFA_D= 0.000000 (DFA, distance) +WDFA_T= 0.000000 (DFA, torsional) +WDFA_N= 0.000000 (DFA, number of neighbor) +WDFA_B= 0.000000 (DFA, beta formation) + Reference temperature for weights calculation: 300.000000000000 + Parameters of the SS-bond potential: + D0CM 3.78000000000000 AKCM 15.1000000000000 AKTH + 11.0000000000000 AKCT 12.0000000000000 + V1SS -1.08000000000000 V2SS 7.61000000000000 V3SS + 13.7000000000000 + EBR -5.50000000000000 + ITEL + 1 21 0 + 2 14 1 + 3 5 1 + 4 8 1 + 5 4 1 + 6 13 1 + 7 7 1 + 8 5 1 + 9 19 1 + 10 16 1 + 11 10 1 + 12 10 2 + 13 20 1 + 14 12 1 + 15 12 1 + 16 10 1 + 17 18 2 + 18 20 2 + 19 20 2 + 20 20 1 + 21 12 0 + ns= 0 iss: + NZ_START= 2 NZ_END= 21 + IZ_SC= 0 + +Geometry of the virtual chain. + Res d Theta Gamma Dsc Alpha Beta +D 1 0.000 0.000 0.000 0.000 0.000 0.000 +ASN 2 3.800 0.000 0.000 1.684 0.000 0.000 +LEU 3 3.800 0.000 0.000 1.939 0.000 0.000 +TYR 4 3.800 0.000 0.000 2.484 0.000 0.000 +ILE 5 3.800 0.000 0.000 1.776 0.000 0.000 +GLN 6 3.800 0.000 0.000 2.240 0.000 0.000 +TRP 7 3.800 0.000 0.000 2.605 0.000 0.000 +LEU 8 3.800 0.000 0.000 1.939 0.000 0.000 +LYS 9 3.800 0.000 0.000 2.541 0.000 0.000 +ASP 10 3.800 0.000 0.000 1.709 0.000 0.000 +GLY 11 3.800 0.000 0.000 0.000 0.000 0.000 +GLY 12 3.800 0.000 0.000 0.000 0.000 0.000 +PRO 13 3.800 0.000 0.000 1.345 0.000 0.000 +SER 14 3.800 0.000 0.000 1.150 0.000 0.000 +SER 15 3.800 0.000 0.000 1.150 0.000 0.000 +GLY 16 3.800 0.000 0.000 0.000 0.000 0.000 +ARG 17 3.800 0.000 0.000 3.020 0.000 0.000 +PRO 18 3.800 0.000 0.000 1.345 0.000 0.000 +PRO 19 3.800 0.000 0.000 1.345 0.000 0.000 +PRO 20 3.800 0.000 0.000 1.345 0.000 0.000 +SER 21 3.800 0.000 0.000 1.150 0.000 0.000 +D 22 3.800 0.000 0.000 0.000 0.000 0.000 + + +******************************************************************************** + Processor 52: end reading molecular data. +******************************************************************************** + + +CSA calculations calculation. + +Conformations will be energy-minimized. +******************************************************************************** + +Waiting for 0.4297 sec +Waiting for 1.2812 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec + Finishing minim_jlee - signal 0 from master +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.5352 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.2461 sec +Waiting for 0.0195 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.4570 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.2812 sec +Waiting for 0.0352 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 1.0820 sec +Waiting for 0.0000 sec +Waiting for 0.4219 sec +Waiting for 0.0039 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.3320 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.7695 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 1.2695 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3438 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2812 sec +Waiting for 0.0000 sec +Waiting for 0.0625 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.4844 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2891 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2266 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2305 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2969 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2969 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3320 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.5625 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.3672 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3438 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3398 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.3555 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 1.0547 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2227 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3008 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3086 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.1055 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2812 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.4922 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.3750 sec +Waiting for 0.0000 sec +Waiting for 0.3398 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3047 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.1875 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3164 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2734 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3164 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3398 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3281 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.1992 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2734 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3984 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.9844 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2461 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.4727 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2070 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.4453 sec +Waiting for 0.0000 sec +Waiting for 0.3633 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.9180 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3359 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3555 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3477 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.3750 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.1016 sec + Finishing minim_jlee - signal 0 from master + End of minim, proc 52 time 64.8632812500000 +CG processor 52 is finishing work. + Total wall clock time 74.6992187500000 sec diff --git a/examples/unres/CSA/GAB/CSA/local/1l2y_csa.out_GB053 b/examples/unres/CSA/GAB/CSA/local/1l2y_csa.out_GB053 new file mode 100644 index 0000000..0fc4232 --- /dev/null +++ b/examples/unres/CSA/GAB/CSA/local/1l2y_csa.out_GB053 @@ -0,0 +1,419 @@ +******************************************************************************** +United-residue force field calculation - parallel job. +******************************************************************************** + MPI: node= 53 iseed= -165226121 + ran_num 0.782623147530709 +RMSDBC = 3.0 +RMSDBC1 = 0.5 +RMSDBC1MAX = 1.5 +DRMS = 0.1 +RMSDBCM = 3.0 +Time limit (min): 960.0 + RESCALE_MODE 0 +Library routine used to diagonalize matrices. + +******************************************************************************** + Options in energy minimization: +******************************************************************************** +MaxMin: 3000 MaxFun: 1000MinMin: 3000 MinFun: 3000 TolF: 1.00000E-02 RTolF: 1.00000E-04 + NCONF_IN 0 + +Energy-term weights (unscaled): + +WSCC= 1.352790 (SC-SC) +WSCP= 1.593040 (SC-p) +WELEC= 0.715340 (p-p electr) +WVDWPP= 0.113710 (p-p VDW) +WBOND= 1.000000 (stretching) +WANG= 1.138730 (bending) +WSCLOC= 0.162580 (SC local) +WTOR= 1.985990 (torsional) +WTORD= 1.570690 (double torsional) +WSTRAIN= 1.000000 (SS bridges & dist. cnstr.) +WEL_LOC= 0.160360 (multi-body 3-rd order) +WCORR4= 0.428870 (multi-body 4th order) +WCORR5= 0.000000 (multi-body 5th order) +WCORR6= 0.000000 (multi-body 6th order) +WSCCOR= 0.000000 (back-scloc correlation) +WTURN3= 1.687220 (turns, 3rd order) +WTURN4= 0.662300 (turns, 4th order) +WTURN6= 0.000000 (turns, 6th order) +WDFA_D= 0.000000 (DFA, distance) +WDFA_T= 0.000000 (DFA, torsional) +WDFA_N= 0.000000 (DFA, number of neighbor) +WDFA_B= 0.000000 (DFA, beta formation) + +Hydrogen-bonding correlation between contact pairs of peptide groups + +Scaling factor of 1,4 SC-p interactions: 0.400 +General scaling factor of SC-p interactions: 1.000 + +Energy-term weights (scaled): + +WSCC= 1.352790 (SC-SC) +WSCP= 1.593040 (SC-p) +WELEC= 0.715340 (p-p electr) +WVDWPP= 0.113710 (p-p VDW) +WBOND= 1.000000 (stretching) +WANG= 1.138730 (bending) +WSCLOC= 0.162580 (SC local) +WTOR= 1.985990 (torsional) +WTORD= 1.570690 (double torsional) +WSTRAIN= 1.000000 (SS bridges & dist. cnstr.) +WEL_LOC= 0.160360 (multi-body 3-rd order) +WCORR4= 0.428870 (multi-body 4th order) +WCORR5= 0.000000 (multi-body 5th order) +WCORR6= 0.000000 (multi-body 6th order) +WSCCOR= 0.000000 (back-scloc correlatkion) +WTURN3= 1.687220 (turns, 3rd order) +WTURN4= 0.662300 (turns, 4th order) +WTURN6= 0.000000 (turns, 6th order) +WDFA_D= 0.000000 (DFA, distance) +WDFA_T= 0.000000 (DFA, torsional) +WDFA_N= 0.000000 (DFA, number of neighbor) +WDFA_B= 0.000000 (DFA, beta formation) + Reference temperature for weights calculation: 300.000000000000 + Parameters of the SS-bond potential: + D0CM 3.78000000000000 AKCM 15.1000000000000 AKTH + 11.0000000000000 AKCT 12.0000000000000 + V1SS -1.08000000000000 V2SS 7.61000000000000 V3SS + 13.7000000000000 + EBR -5.50000000000000 + ITEL + 1 21 0 + 2 14 1 + 3 5 1 + 4 8 1 + 5 4 1 + 6 13 1 + 7 7 1 + 8 5 1 + 9 19 1 + 10 16 1 + 11 10 1 + 12 10 2 + 13 20 1 + 14 12 1 + 15 12 1 + 16 10 1 + 17 18 2 + 18 20 2 + 19 20 2 + 20 20 1 + 21 12 0 + ns= 0 iss: + NZ_START= 2 NZ_END= 21 + IZ_SC= 0 + +Geometry of the virtual chain. + Res d Theta Gamma Dsc Alpha Beta +D 1 0.000 0.000 0.000 0.000 0.000 0.000 +ASN 2 3.800 0.000 0.000 1.684 0.000 0.000 +LEU 3 3.800 0.000 0.000 1.939 0.000 0.000 +TYR 4 3.800 0.000 0.000 2.484 0.000 0.000 +ILE 5 3.800 0.000 0.000 1.776 0.000 0.000 +GLN 6 3.800 0.000 0.000 2.240 0.000 0.000 +TRP 7 3.800 0.000 0.000 2.605 0.000 0.000 +LEU 8 3.800 0.000 0.000 1.939 0.000 0.000 +LYS 9 3.800 0.000 0.000 2.541 0.000 0.000 +ASP 10 3.800 0.000 0.000 1.709 0.000 0.000 +GLY 11 3.800 0.000 0.000 0.000 0.000 0.000 +GLY 12 3.800 0.000 0.000 0.000 0.000 0.000 +PRO 13 3.800 0.000 0.000 1.345 0.000 0.000 +SER 14 3.800 0.000 0.000 1.150 0.000 0.000 +SER 15 3.800 0.000 0.000 1.150 0.000 0.000 +GLY 16 3.800 0.000 0.000 0.000 0.000 0.000 +ARG 17 3.800 0.000 0.000 3.020 0.000 0.000 +PRO 18 3.800 0.000 0.000 1.345 0.000 0.000 +PRO 19 3.800 0.000 0.000 1.345 0.000 0.000 +PRO 20 3.800 0.000 0.000 1.345 0.000 0.000 +SER 21 3.800 0.000 0.000 1.150 0.000 0.000 +D 22 3.800 0.000 0.000 0.000 0.000 0.000 + + +******************************************************************************** + Processor 53: end reading molecular data. +******************************************************************************** + + +CSA calculations calculation. + +Conformations will be energy-minimized. +******************************************************************************** + +Waiting for 0.4297 sec +Waiting for 1.0898 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec + Finishing minim_jlee - signal 0 from master +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.4180 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2461 sec +Waiting for 0.0000 sec +Waiting for 0.0078 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.4609 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.3086 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 1.0742 sec +Waiting for 0.0156 sec +Waiting for 0.0000 sec +Waiting for 0.3906 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3398 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.6875 sec +Waiting for 0.0000 sec +Waiting for 1.4219 sec +Waiting for 0.0000 sec +Waiting for 0.0195 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.4375 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.1719 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.4648 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3008 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.3242 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2656 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2539 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2578 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3047 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.5586 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.3633 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3281 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.2891 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3867 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 1.1406 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2969 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3398 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3086 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2891 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.1992 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.4531 sec +Waiting for 0.0039 sec +Waiting for 0.0078 sec +Waiting for 0.3945 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2930 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0078 sec +Waiting for 0.0000 sec +Waiting for 0.3711 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.3359 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3047 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2891 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.1523 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3164 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2148 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3320 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0898 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2344 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.9453 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3281 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3906 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3359 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.4062 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2891 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.9922 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2344 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2891 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.3594 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.4023 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.1523 sec + Finishing minim_jlee - signal 0 from master + End of minim, proc 53 time 64.8632812500000 +CG processor 53 is finishing work. + Total wall clock time 74.6875000000000 sec diff --git a/examples/unres/CSA/GAB/CSA/local/1l2y_csa.out_GB054 b/examples/unres/CSA/GAB/CSA/local/1l2y_csa.out_GB054 new file mode 100644 index 0000000..54a6bcb --- /dev/null +++ b/examples/unres/CSA/GAB/CSA/local/1l2y_csa.out_GB054 @@ -0,0 +1,412 @@ +******************************************************************************** +United-residue force field calculation - parallel job. +******************************************************************************** + MPI: node= 54 iseed= -168285864 + ran_num 5.637539338348874E-002 +RMSDBC = 3.0 +RMSDBC1 = 0.5 +RMSDBC1MAX = 1.5 +DRMS = 0.1 +RMSDBCM = 3.0 +Time limit (min): 960.0 + RESCALE_MODE 0 +Library routine used to diagonalize matrices. + +******************************************************************************** + Options in energy minimization: +******************************************************************************** +MaxMin: 3000 MaxFun: 1000MinMin: 3000 MinFun: 3000 TolF: 1.00000E-02 RTolF: 1.00000E-04 + NCONF_IN 0 + +Energy-term weights (unscaled): + +WSCC= 1.352790 (SC-SC) +WSCP= 1.593040 (SC-p) +WELEC= 0.715340 (p-p electr) +WVDWPP= 0.113710 (p-p VDW) +WBOND= 1.000000 (stretching) +WANG= 1.138730 (bending) +WSCLOC= 0.162580 (SC local) +WTOR= 1.985990 (torsional) +WTORD= 1.570690 (double torsional) +WSTRAIN= 1.000000 (SS bridges & dist. cnstr.) +WEL_LOC= 0.160360 (multi-body 3-rd order) +WCORR4= 0.428870 (multi-body 4th order) +WCORR5= 0.000000 (multi-body 5th order) +WCORR6= 0.000000 (multi-body 6th order) +WSCCOR= 0.000000 (back-scloc correlation) +WTURN3= 1.687220 (turns, 3rd order) +WTURN4= 0.662300 (turns, 4th order) +WTURN6= 0.000000 (turns, 6th order) +WDFA_D= 0.000000 (DFA, distance) +WDFA_T= 0.000000 (DFA, torsional) +WDFA_N= 0.000000 (DFA, number of neighbor) +WDFA_B= 0.000000 (DFA, beta formation) + +Hydrogen-bonding correlation between contact pairs of peptide groups + +Scaling factor of 1,4 SC-p interactions: 0.400 +General scaling factor of SC-p interactions: 1.000 + +Energy-term weights (scaled): + +WSCC= 1.352790 (SC-SC) +WSCP= 1.593040 (SC-p) +WELEC= 0.715340 (p-p electr) +WVDWPP= 0.113710 (p-p VDW) +WBOND= 1.000000 (stretching) +WANG= 1.138730 (bending) +WSCLOC= 0.162580 (SC local) +WTOR= 1.985990 (torsional) +WTORD= 1.570690 (double torsional) +WSTRAIN= 1.000000 (SS bridges & dist. cnstr.) +WEL_LOC= 0.160360 (multi-body 3-rd order) +WCORR4= 0.428870 (multi-body 4th order) +WCORR5= 0.000000 (multi-body 5th order) +WCORR6= 0.000000 (multi-body 6th order) +WSCCOR= 0.000000 (back-scloc correlatkion) +WTURN3= 1.687220 (turns, 3rd order) +WTURN4= 0.662300 (turns, 4th order) +WTURN6= 0.000000 (turns, 6th order) +WDFA_D= 0.000000 (DFA, distance) +WDFA_T= 0.000000 (DFA, torsional) +WDFA_N= 0.000000 (DFA, number of neighbor) +WDFA_B= 0.000000 (DFA, beta formation) + Reference temperature for weights calculation: 300.000000000000 + Parameters of the SS-bond potential: + D0CM 3.78000000000000 AKCM 15.1000000000000 AKTH + 11.0000000000000 AKCT 12.0000000000000 + V1SS -1.08000000000000 V2SS 7.61000000000000 V3SS + 13.7000000000000 + EBR -5.50000000000000 + ITEL + 1 21 0 + 2 14 1 + 3 5 1 + 4 8 1 + 5 4 1 + 6 13 1 + 7 7 1 + 8 5 1 + 9 19 1 + 10 16 1 + 11 10 1 + 12 10 2 + 13 20 1 + 14 12 1 + 15 12 1 + 16 10 1 + 17 18 2 + 18 20 2 + 19 20 2 + 20 20 1 + 21 12 0 + ns= 0 iss: + NZ_START= 2 NZ_END= 21 + IZ_SC= 0 + +Geometry of the virtual chain. + Res d Theta Gamma Dsc Alpha Beta +D 1 0.000 0.000 0.000 0.000 0.000 0.000 +ASN 2 3.800 0.000 0.000 1.684 0.000 0.000 +LEU 3 3.800 0.000 0.000 1.939 0.000 0.000 +TYR 4 3.800 0.000 0.000 2.484 0.000 0.000 +ILE 5 3.800 0.000 0.000 1.776 0.000 0.000 +GLN 6 3.800 0.000 0.000 2.240 0.000 0.000 +TRP 7 3.800 0.000 0.000 2.605 0.000 0.000 +LEU 8 3.800 0.000 0.000 1.939 0.000 0.000 +LYS 9 3.800 0.000 0.000 2.541 0.000 0.000 +ASP 10 3.800 0.000 0.000 1.709 0.000 0.000 +GLY 11 3.800 0.000 0.000 0.000 0.000 0.000 +GLY 12 3.800 0.000 0.000 0.000 0.000 0.000 +PRO 13 3.800 0.000 0.000 1.345 0.000 0.000 +SER 14 3.800 0.000 0.000 1.150 0.000 0.000 +SER 15 3.800 0.000 0.000 1.150 0.000 0.000 +GLY 16 3.800 0.000 0.000 0.000 0.000 0.000 +ARG 17 3.800 0.000 0.000 3.020 0.000 0.000 +PRO 18 3.800 0.000 0.000 1.345 0.000 0.000 +PRO 19 3.800 0.000 0.000 1.345 0.000 0.000 +PRO 20 3.800 0.000 0.000 1.345 0.000 0.000 +SER 21 3.800 0.000 0.000 1.150 0.000 0.000 +D 22 3.800 0.000 0.000 0.000 0.000 0.000 + + +******************************************************************************** + Processor 54: end reading molecular data. +******************************************************************************** + + +CSA calculations calculation. + +Conformations will be energy-minimized. +******************************************************************************** + +Waiting for 0.4414 sec +Waiting for 1.2656 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec + Finishing minim_jlee - signal 0 from master +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.5312 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.1328 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.4766 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3320 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0859 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 1.0938 sec +Waiting for 0.0000 sec +Waiting for 0.0508 sec +Waiting for 0.4414 sec +Waiting for 0.0039 sec +Waiting for 0.3047 sec +Waiting for 0.0078 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0039 sec +Waiting for 0.6484 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 1.3672 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.4609 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3047 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.5117 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.2617 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2344 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2109 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.1953 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.2695 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.1055 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.5352 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3086 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2656 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3516 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.4922 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 1.0898 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.1367 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.4023 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3164 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0039 sec +Waiting for 0.3164 sec +Waiting for 0.0000 sec +Waiting for 0.0195 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3203 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.5078 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.4414 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3945 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2695 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.1602 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3359 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3398 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2070 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.2969 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2969 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3086 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3203 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3672 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.9570 sec +Waiting for 0.0000 sec +Waiting for 0.3984 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3438 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2969 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.4492 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3633 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.9648 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3711 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3789 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3125 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3633 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.4180 sec + Finishing minim_jlee - signal 0 from master + End of minim, proc 54 time 64.8164062500000 +CG processor 54 is finishing work. + Total wall clock time 74.6953125000000 sec diff --git a/examples/unres/CSA/GAB/CSA/local/1l2y_csa.out_GB055 b/examples/unres/CSA/GAB/CSA/local/1l2y_csa.out_GB055 new file mode 100644 index 0000000..443c357 --- /dev/null +++ b/examples/unres/CSA/GAB/CSA/local/1l2y_csa.out_GB055 @@ -0,0 +1,436 @@ +******************************************************************************** +United-residue force field calculation - parallel job. +******************************************************************************** + MPI: node= 55 iseed= -171345607 + ran_num 0.330127639236268 +RMSDBC = 3.0 +RMSDBC1 = 0.5 +RMSDBC1MAX = 1.5 +DRMS = 0.1 +RMSDBCM = 3.0 +Time limit (min): 960.0 + RESCALE_MODE 0 +Library routine used to diagonalize matrices. + +******************************************************************************** + Options in energy minimization: +******************************************************************************** +MaxMin: 3000 MaxFun: 1000MinMin: 3000 MinFun: 3000 TolF: 1.00000E-02 RTolF: 1.00000E-04 + NCONF_IN 0 + +Energy-term weights (unscaled): + +WSCC= 1.352790 (SC-SC) +WSCP= 1.593040 (SC-p) +WELEC= 0.715340 (p-p electr) +WVDWPP= 0.113710 (p-p VDW) +WBOND= 1.000000 (stretching) +WANG= 1.138730 (bending) +WSCLOC= 0.162580 (SC local) +WTOR= 1.985990 (torsional) +WTORD= 1.570690 (double torsional) +WSTRAIN= 1.000000 (SS bridges & dist. cnstr.) +WEL_LOC= 0.160360 (multi-body 3-rd order) +WCORR4= 0.428870 (multi-body 4th order) +WCORR5= 0.000000 (multi-body 5th order) +WCORR6= 0.000000 (multi-body 6th order) +WSCCOR= 0.000000 (back-scloc correlation) +WTURN3= 1.687220 (turns, 3rd order) +WTURN4= 0.662300 (turns, 4th order) +WTURN6= 0.000000 (turns, 6th order) +WDFA_D= 0.000000 (DFA, distance) +WDFA_T= 0.000000 (DFA, torsional) +WDFA_N= 0.000000 (DFA, number of neighbor) +WDFA_B= 0.000000 (DFA, beta formation) + +Hydrogen-bonding correlation between contact pairs of peptide groups + +Scaling factor of 1,4 SC-p interactions: 0.400 +General scaling factor of SC-p interactions: 1.000 + +Energy-term weights (scaled): + +WSCC= 1.352790 (SC-SC) +WSCP= 1.593040 (SC-p) +WELEC= 0.715340 (p-p electr) +WVDWPP= 0.113710 (p-p VDW) +WBOND= 1.000000 (stretching) +WANG= 1.138730 (bending) +WSCLOC= 0.162580 (SC local) +WTOR= 1.985990 (torsional) +WTORD= 1.570690 (double torsional) +WSTRAIN= 1.000000 (SS bridges & dist. cnstr.) +WEL_LOC= 0.160360 (multi-body 3-rd order) +WCORR4= 0.428870 (multi-body 4th order) +WCORR5= 0.000000 (multi-body 5th order) +WCORR6= 0.000000 (multi-body 6th order) +WSCCOR= 0.000000 (back-scloc correlatkion) +WTURN3= 1.687220 (turns, 3rd order) +WTURN4= 0.662300 (turns, 4th order) +WTURN6= 0.000000 (turns, 6th order) +WDFA_D= 0.000000 (DFA, distance) +WDFA_T= 0.000000 (DFA, torsional) +WDFA_N= 0.000000 (DFA, number of neighbor) +WDFA_B= 0.000000 (DFA, beta formation) + Reference temperature for weights calculation: 300.000000000000 + Parameters of the SS-bond potential: + D0CM 3.78000000000000 AKCM 15.1000000000000 AKTH + 11.0000000000000 AKCT 12.0000000000000 + V1SS -1.08000000000000 V2SS 7.61000000000000 V3SS + 13.7000000000000 + EBR -5.50000000000000 + ITEL + 1 21 0 + 2 14 1 + 3 5 1 + 4 8 1 + 5 4 1 + 6 13 1 + 7 7 1 + 8 5 1 + 9 19 1 + 10 16 1 + 11 10 1 + 12 10 2 + 13 20 1 + 14 12 1 + 15 12 1 + 16 10 1 + 17 18 2 + 18 20 2 + 19 20 2 + 20 20 1 + 21 12 0 + ns= 0 iss: + NZ_START= 2 NZ_END= 21 + IZ_SC= 0 + +Geometry of the virtual chain. + Res d Theta Gamma Dsc Alpha Beta +D 1 0.000 0.000 0.000 0.000 0.000 0.000 +ASN 2 3.800 0.000 0.000 1.684 0.000 0.000 +LEU 3 3.800 0.000 0.000 1.939 0.000 0.000 +TYR 4 3.800 0.000 0.000 2.484 0.000 0.000 +ILE 5 3.800 0.000 0.000 1.776 0.000 0.000 +GLN 6 3.800 0.000 0.000 2.240 0.000 0.000 +TRP 7 3.800 0.000 0.000 2.605 0.000 0.000 +LEU 8 3.800 0.000 0.000 1.939 0.000 0.000 +LYS 9 3.800 0.000 0.000 2.541 0.000 0.000 +ASP 10 3.800 0.000 0.000 1.709 0.000 0.000 +GLY 11 3.800 0.000 0.000 0.000 0.000 0.000 +GLY 12 3.800 0.000 0.000 0.000 0.000 0.000 +PRO 13 3.800 0.000 0.000 1.345 0.000 0.000 +SER 14 3.800 0.000 0.000 1.150 0.000 0.000 +SER 15 3.800 0.000 0.000 1.150 0.000 0.000 +GLY 16 3.800 0.000 0.000 0.000 0.000 0.000 +ARG 17 3.800 0.000 0.000 3.020 0.000 0.000 +PRO 18 3.800 0.000 0.000 1.345 0.000 0.000 +PRO 19 3.800 0.000 0.000 1.345 0.000 0.000 +PRO 20 3.800 0.000 0.000 1.345 0.000 0.000 +SER 21 3.800 0.000 0.000 1.150 0.000 0.000 +D 22 3.800 0.000 0.000 0.000 0.000 0.000 + + +******************************************************************************** + Processor 55: end reading molecular data. +******************************************************************************** + + +CSA calculations calculation. + +Conformations will be energy-minimized. +******************************************************************************** + +Waiting for 0.4336 sec +Waiting for 1.2969 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec + Finishing minim_jlee - signal 0 from master +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.5117 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3320 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.4922 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.1406 sec +Waiting for 0.0000 sec +Waiting for 0.0586 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.9883 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.4062 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2422 sec +Waiting for 0.0000 sec +Waiting for 0.0312 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0078 sec +Waiting for 0.6367 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 1.3711 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.4180 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2344 sec +Waiting for 0.0000 sec +Waiting for 0.0391 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.4453 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.2812 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2891 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.1953 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3164 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.1367 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3398 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.5117 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3633 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0039 sec +Waiting for 0.2227 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.3242 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.4375 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 1.1602 sec +Waiting for 0.0000 sec +Waiting for 0.1953 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.4141 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2617 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2656 sec +Waiting for 0.0117 sec +Waiting for 0.0000 sec +Waiting for 0.0586 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2344 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.4336 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.4375 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.3555 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3516 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2773 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2734 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3242 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2656 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2930 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3203 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.1211 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.1602 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2461 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.9609 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.3281 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.4805 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2344 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3633 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.3672 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.9023 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3945 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2812 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2656 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.4023 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3789 sec + Finishing minim_jlee - signal 0 from master + End of minim, proc 55 time 64.8554687500000 +CG processor 55 is finishing work. + Total wall clock time 74.6914062500000 sec diff --git a/examples/unres/CSA/GAB/CSA/local/1l2y_csa.out_GB056 b/examples/unres/CSA/GAB/CSA/local/1l2y_csa.out_GB056 new file mode 100644 index 0000000..29560e2 --- /dev/null +++ b/examples/unres/CSA/GAB/CSA/local/1l2y_csa.out_GB056 @@ -0,0 +1,463 @@ +******************************************************************************** +United-residue force field calculation - parallel job. +******************************************************************************** + MPI: node= 56 iseed= -174405350 + ran_num 0.603879885089048 +RMSDBC = 3.0 +RMSDBC1 = 0.5 +RMSDBC1MAX = 1.5 +DRMS = 0.1 +RMSDBCM = 3.0 +Time limit (min): 960.0 + RESCALE_MODE 0 +Library routine used to diagonalize matrices. + +******************************************************************************** + Options in energy minimization: +******************************************************************************** +MaxMin: 3000 MaxFun: 1000MinMin: 3000 MinFun: 3000 TolF: 1.00000E-02 RTolF: 1.00000E-04 + NCONF_IN 0 + +Energy-term weights (unscaled): + +WSCC= 1.352790 (SC-SC) +WSCP= 1.593040 (SC-p) +WELEC= 0.715340 (p-p electr) +WVDWPP= 0.113710 (p-p VDW) +WBOND= 1.000000 (stretching) +WANG= 1.138730 (bending) +WSCLOC= 0.162580 (SC local) +WTOR= 1.985990 (torsional) +WTORD= 1.570690 (double torsional) +WSTRAIN= 1.000000 (SS bridges & dist. cnstr.) +WEL_LOC= 0.160360 (multi-body 3-rd order) +WCORR4= 0.428870 (multi-body 4th order) +WCORR5= 0.000000 (multi-body 5th order) +WCORR6= 0.000000 (multi-body 6th order) +WSCCOR= 0.000000 (back-scloc correlation) +WTURN3= 1.687220 (turns, 3rd order) +WTURN4= 0.662300 (turns, 4th order) +WTURN6= 0.000000 (turns, 6th order) +WDFA_D= 0.000000 (DFA, distance) +WDFA_T= 0.000000 (DFA, torsional) +WDFA_N= 0.000000 (DFA, number of neighbor) +WDFA_B= 0.000000 (DFA, beta formation) + +Hydrogen-bonding correlation between contact pairs of peptide groups + +Scaling factor of 1,4 SC-p interactions: 0.400 +General scaling factor of SC-p interactions: 1.000 + +Energy-term weights (scaled): + +WSCC= 1.352790 (SC-SC) +WSCP= 1.593040 (SC-p) +WELEC= 0.715340 (p-p electr) +WVDWPP= 0.113710 (p-p VDW) +WBOND= 1.000000 (stretching) +WANG= 1.138730 (bending) +WSCLOC= 0.162580 (SC local) +WTOR= 1.985990 (torsional) +WTORD= 1.570690 (double torsional) +WSTRAIN= 1.000000 (SS bridges & dist. cnstr.) +WEL_LOC= 0.160360 (multi-body 3-rd order) +WCORR4= 0.428870 (multi-body 4th order) +WCORR5= 0.000000 (multi-body 5th order) +WCORR6= 0.000000 (multi-body 6th order) +WSCCOR= 0.000000 (back-scloc correlatkion) +WTURN3= 1.687220 (turns, 3rd order) +WTURN4= 0.662300 (turns, 4th order) +WTURN6= 0.000000 (turns, 6th order) +WDFA_D= 0.000000 (DFA, distance) +WDFA_T= 0.000000 (DFA, torsional) +WDFA_N= 0.000000 (DFA, number of neighbor) +WDFA_B= 0.000000 (DFA, beta formation) + Reference temperature for weights calculation: 300.000000000000 + Parameters of the SS-bond potential: + D0CM 3.78000000000000 AKCM 15.1000000000000 AKTH + 11.0000000000000 AKCT 12.0000000000000 + V1SS -1.08000000000000 V2SS 7.61000000000000 V3SS + 13.7000000000000 + EBR -5.50000000000000 + ITEL + 1 21 0 + 2 14 1 + 3 5 1 + 4 8 1 + 5 4 1 + 6 13 1 + 7 7 1 + 8 5 1 + 9 19 1 + 10 16 1 + 11 10 1 + 12 10 2 + 13 20 1 + 14 12 1 + 15 12 1 + 16 10 1 + 17 18 2 + 18 20 2 + 19 20 2 + 20 20 1 + 21 12 0 + ns= 0 iss: + NZ_START= 2 NZ_END= 21 + IZ_SC= 0 + +Geometry of the virtual chain. + Res d Theta Gamma Dsc Alpha Beta +D 1 0.000 0.000 0.000 0.000 0.000 0.000 +ASN 2 3.800 0.000 0.000 1.684 0.000 0.000 +LEU 3 3.800 0.000 0.000 1.939 0.000 0.000 +TYR 4 3.800 0.000 0.000 2.484 0.000 0.000 +ILE 5 3.800 0.000 0.000 1.776 0.000 0.000 +GLN 6 3.800 0.000 0.000 2.240 0.000 0.000 +TRP 7 3.800 0.000 0.000 2.605 0.000 0.000 +LEU 8 3.800 0.000 0.000 1.939 0.000 0.000 +LYS 9 3.800 0.000 0.000 2.541 0.000 0.000 +ASP 10 3.800 0.000 0.000 1.709 0.000 0.000 +GLY 11 3.800 0.000 0.000 0.000 0.000 0.000 +GLY 12 3.800 0.000 0.000 0.000 0.000 0.000 +PRO 13 3.800 0.000 0.000 1.345 0.000 0.000 +SER 14 3.800 0.000 0.000 1.150 0.000 0.000 +SER 15 3.800 0.000 0.000 1.150 0.000 0.000 +GLY 16 3.800 0.000 0.000 0.000 0.000 0.000 +ARG 17 3.800 0.000 0.000 3.020 0.000 0.000 +PRO 18 3.800 0.000 0.000 1.345 0.000 0.000 +PRO 19 3.800 0.000 0.000 1.345 0.000 0.000 +PRO 20 3.800 0.000 0.000 1.345 0.000 0.000 +SER 21 3.800 0.000 0.000 1.150 0.000 0.000 +D 22 3.800 0.000 0.000 0.000 0.000 0.000 + + +******************************************************************************** + Processor 56: end reading molecular data. +******************************************************************************** + + +CSA calculations calculation. + +Conformations will be energy-minimized. +******************************************************************************** + +Waiting for 0.4414 sec +Waiting for 1.1719 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0352 sec +Waiting for 0.0039 sec + Finishing minim_jlee - signal 0 from master +Waiting for 0.6797 sec +Waiting for 0.0469 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.1133 sec +Waiting for 0.5469 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.4766 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2617 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.4961 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2656 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 1.0547 sec +Waiting for 0.0195 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2148 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2773 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.7656 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 1.4023 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3828 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2422 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.5117 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2344 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2305 sec +Waiting for 0.0078 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2383 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2773 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3047 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.2812 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.5078 sec +Waiting for 0.0078 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.1562 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3242 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3984 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.4492 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 1.1055 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2695 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3984 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2852 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3516 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3047 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0039 sec +Waiting for 0.5234 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.4180 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3555 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3359 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3789 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3672 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3594 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2422 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3086 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3398 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2539 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2031 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3828 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.9766 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3555 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.5156 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3398 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.4102 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2812 sec +Waiting for 0.0195 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 1.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3555 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3750 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3125 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3789 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.4258 sec + Finishing minim_jlee - signal 0 from master + End of minim, proc 56 time 67.8203125000000 +CG processor 56 is finishing work. + Total wall clock time 74.6953125000000 sec diff --git a/examples/unres/CSA/GAB/CSA/local/1l2y_csa.out_GB057 b/examples/unres/CSA/GAB/CSA/local/1l2y_csa.out_GB057 new file mode 100644 index 0000000..bbd2585 --- /dev/null +++ b/examples/unres/CSA/GAB/CSA/local/1l2y_csa.out_GB057 @@ -0,0 +1,493 @@ +******************************************************************************** +United-residue force field calculation - parallel job. +******************************************************************************** + MPI: node= 57 iseed= -177465093 + ran_num 0.877632130941827 +RMSDBC = 3.0 +RMSDBC1 = 0.5 +RMSDBC1MAX = 1.5 +DRMS = 0.1 +RMSDBCM = 3.0 +Time limit (min): 960.0 + RESCALE_MODE 0 +Library routine used to diagonalize matrices. + +******************************************************************************** + Options in energy minimization: +******************************************************************************** +MaxMin: 3000 MaxFun: 1000MinMin: 3000 MinFun: 3000 TolF: 1.00000E-02 RTolF: 1.00000E-04 + NCONF_IN 0 + +Energy-term weights (unscaled): + +WSCC= 1.352790 (SC-SC) +WSCP= 1.593040 (SC-p) +WELEC= 0.715340 (p-p electr) +WVDWPP= 0.113710 (p-p VDW) +WBOND= 1.000000 (stretching) +WANG= 1.138730 (bending) +WSCLOC= 0.162580 (SC local) +WTOR= 1.985990 (torsional) +WTORD= 1.570690 (double torsional) +WSTRAIN= 1.000000 (SS bridges & dist. cnstr.) +WEL_LOC= 0.160360 (multi-body 3-rd order) +WCORR4= 0.428870 (multi-body 4th order) +WCORR5= 0.000000 (multi-body 5th order) +WCORR6= 0.000000 (multi-body 6th order) +WSCCOR= 0.000000 (back-scloc correlation) +WTURN3= 1.687220 (turns, 3rd order) +WTURN4= 0.662300 (turns, 4th order) +WTURN6= 0.000000 (turns, 6th order) +WDFA_D= 0.000000 (DFA, distance) +WDFA_T= 0.000000 (DFA, torsional) +WDFA_N= 0.000000 (DFA, number of neighbor) +WDFA_B= 0.000000 (DFA, beta formation) + +Hydrogen-bonding correlation between contact pairs of peptide groups + +Scaling factor of 1,4 SC-p interactions: 0.400 +General scaling factor of SC-p interactions: 1.000 + +Energy-term weights (scaled): + +WSCC= 1.352790 (SC-SC) +WSCP= 1.593040 (SC-p) +WELEC= 0.715340 (p-p electr) +WVDWPP= 0.113710 (p-p VDW) +WBOND= 1.000000 (stretching) +WANG= 1.138730 (bending) +WSCLOC= 0.162580 (SC local) +WTOR= 1.985990 (torsional) +WTORD= 1.570690 (double torsional) +WSTRAIN= 1.000000 (SS bridges & dist. cnstr.) +WEL_LOC= 0.160360 (multi-body 3-rd order) +WCORR4= 0.428870 (multi-body 4th order) +WCORR5= 0.000000 (multi-body 5th order) +WCORR6= 0.000000 (multi-body 6th order) +WSCCOR= 0.000000 (back-scloc correlatkion) +WTURN3= 1.687220 (turns, 3rd order) +WTURN4= 0.662300 (turns, 4th order) +WTURN6= 0.000000 (turns, 6th order) +WDFA_D= 0.000000 (DFA, distance) +WDFA_T= 0.000000 (DFA, torsional) +WDFA_N= 0.000000 (DFA, number of neighbor) +WDFA_B= 0.000000 (DFA, beta formation) + Reference temperature for weights calculation: 300.000000000000 + Parameters of the SS-bond potential: + D0CM 3.78000000000000 AKCM 15.1000000000000 AKTH + 11.0000000000000 AKCT 12.0000000000000 + V1SS -1.08000000000000 V2SS 7.61000000000000 V3SS + 13.7000000000000 + EBR -5.50000000000000 + ITEL + 1 21 0 + 2 14 1 + 3 5 1 + 4 8 1 + 5 4 1 + 6 13 1 + 7 7 1 + 8 5 1 + 9 19 1 + 10 16 1 + 11 10 1 + 12 10 2 + 13 20 1 + 14 12 1 + 15 12 1 + 16 10 1 + 17 18 2 + 18 20 2 + 19 20 2 + 20 20 1 + 21 12 0 + ns= 0 iss: + NZ_START= 2 NZ_END= 21 + IZ_SC= 0 + +Geometry of the virtual chain. + Res d Theta Gamma Dsc Alpha Beta +D 1 0.000 0.000 0.000 0.000 0.000 0.000 +ASN 2 3.800 0.000 0.000 1.684 0.000 0.000 +LEU 3 3.800 0.000 0.000 1.939 0.000 0.000 +TYR 4 3.800 0.000 0.000 2.484 0.000 0.000 +ILE 5 3.800 0.000 0.000 1.776 0.000 0.000 +GLN 6 3.800 0.000 0.000 2.240 0.000 0.000 +TRP 7 3.800 0.000 0.000 2.605 0.000 0.000 +LEU 8 3.800 0.000 0.000 1.939 0.000 0.000 +LYS 9 3.800 0.000 0.000 2.541 0.000 0.000 +ASP 10 3.800 0.000 0.000 1.709 0.000 0.000 +GLY 11 3.800 0.000 0.000 0.000 0.000 0.000 +GLY 12 3.800 0.000 0.000 0.000 0.000 0.000 +PRO 13 3.800 0.000 0.000 1.345 0.000 0.000 +SER 14 3.800 0.000 0.000 1.150 0.000 0.000 +SER 15 3.800 0.000 0.000 1.150 0.000 0.000 +GLY 16 3.800 0.000 0.000 0.000 0.000 0.000 +ARG 17 3.800 0.000 0.000 3.020 0.000 0.000 +PRO 18 3.800 0.000 0.000 1.345 0.000 0.000 +PRO 19 3.800 0.000 0.000 1.345 0.000 0.000 +PRO 20 3.800 0.000 0.000 1.345 0.000 0.000 +SER 21 3.800 0.000 0.000 1.150 0.000 0.000 +D 22 3.800 0.000 0.000 0.000 0.000 0.000 + + +******************************************************************************** + Processor 57: end reading molecular data. +******************************************************************************** + + +CSA calculations calculation. + +Conformations will be energy-minimized. +******************************************************************************** + +Waiting for 0.4492 sec +Waiting for 1.2578 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec + Finishing minim_jlee - signal 0 from master +Waiting for 0.6914 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.1445 sec +Waiting for 0.5742 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.4922 sec +Waiting for 0.0195 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0039 sec +Waiting for 0.3516 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.4453 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3086 sec +Waiting for 0.0000 sec +Waiting for 0.1133 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 1.0547 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0508 sec +Waiting for 0.0000 sec +Waiting for 0.2656 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3359 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.6367 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 1.4062 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0508 sec +Waiting for 0.0508 sec +Waiting for 0.4297 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.2539 sec +Waiting for 0.0000 sec +Waiting for 0.0508 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.4805 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.1836 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2891 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3125 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.1641 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2148 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2852 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.5664 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3867 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3359 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.1602 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.4727 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0039 sec +Waiting for 1.1875 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2852 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3906 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3047 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3633 sec +Waiting for 0.0039 sec +Waiting for 0.0039 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.3008 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.4648 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.4297 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.3750 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3516 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.2461 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.1758 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3438 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3164 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3047 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3516 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2266 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2500 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2109 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 1.0234 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3164 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.4258 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3633 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.4688 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3633 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.9961 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3359 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3438 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.3164 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2188 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3906 sec + Finishing minim_jlee - signal 0 from master + End of minim, proc 57 time 67.8203125000000 +CG processor 57 is finishing work. + Total wall clock time 74.6992187500000 sec diff --git a/examples/unres/CSA/GAB/CSA/local/1l2y_csa.out_GB058 b/examples/unres/CSA/GAB/CSA/local/1l2y_csa.out_GB058 new file mode 100644 index 0000000..724fc74 --- /dev/null +++ b/examples/unres/CSA/GAB/CSA/local/1l2y_csa.out_GB058 @@ -0,0 +1,475 @@ +******************************************************************************** +United-residue force field calculation - parallel job. +******************************************************************************** + MPI: node= 58 iseed= -180524836 + ran_num 0.151384376794607 +RMSDBC = 3.0 +RMSDBC1 = 0.5 +RMSDBC1MAX = 1.5 +DRMS = 0.1 +RMSDBCM = 3.0 +Time limit (min): 960.0 + RESCALE_MODE 0 +Library routine used to diagonalize matrices. + +******************************************************************************** + Options in energy minimization: +******************************************************************************** +MaxMin: 3000 MaxFun: 1000MinMin: 3000 MinFun: 3000 TolF: 1.00000E-02 RTolF: 1.00000E-04 + NCONF_IN 0 + +Energy-term weights (unscaled): + +WSCC= 1.352790 (SC-SC) +WSCP= 1.593040 (SC-p) +WELEC= 0.715340 (p-p electr) +WVDWPP= 0.113710 (p-p VDW) +WBOND= 1.000000 (stretching) +WANG= 1.138730 (bending) +WSCLOC= 0.162580 (SC local) +WTOR= 1.985990 (torsional) +WTORD= 1.570690 (double torsional) +WSTRAIN= 1.000000 (SS bridges & dist. cnstr.) +WEL_LOC= 0.160360 (multi-body 3-rd order) +WCORR4= 0.428870 (multi-body 4th order) +WCORR5= 0.000000 (multi-body 5th order) +WCORR6= 0.000000 (multi-body 6th order) +WSCCOR= 0.000000 (back-scloc correlation) +WTURN3= 1.687220 (turns, 3rd order) +WTURN4= 0.662300 (turns, 4th order) +WTURN6= 0.000000 (turns, 6th order) +WDFA_D= 0.000000 (DFA, distance) +WDFA_T= 0.000000 (DFA, torsional) +WDFA_N= 0.000000 (DFA, number of neighbor) +WDFA_B= 0.000000 (DFA, beta formation) + +Hydrogen-bonding correlation between contact pairs of peptide groups + +Scaling factor of 1,4 SC-p interactions: 0.400 +General scaling factor of SC-p interactions: 1.000 + +Energy-term weights (scaled): + +WSCC= 1.352790 (SC-SC) +WSCP= 1.593040 (SC-p) +WELEC= 0.715340 (p-p electr) +WVDWPP= 0.113710 (p-p VDW) +WBOND= 1.000000 (stretching) +WANG= 1.138730 (bending) +WSCLOC= 0.162580 (SC local) +WTOR= 1.985990 (torsional) +WTORD= 1.570690 (double torsional) +WSTRAIN= 1.000000 (SS bridges & dist. cnstr.) +WEL_LOC= 0.160360 (multi-body 3-rd order) +WCORR4= 0.428870 (multi-body 4th order) +WCORR5= 0.000000 (multi-body 5th order) +WCORR6= 0.000000 (multi-body 6th order) +WSCCOR= 0.000000 (back-scloc correlatkion) +WTURN3= 1.687220 (turns, 3rd order) +WTURN4= 0.662300 (turns, 4th order) +WTURN6= 0.000000 (turns, 6th order) +WDFA_D= 0.000000 (DFA, distance) +WDFA_T= 0.000000 (DFA, torsional) +WDFA_N= 0.000000 (DFA, number of neighbor) +WDFA_B= 0.000000 (DFA, beta formation) + Reference temperature for weights calculation: 300.000000000000 + Parameters of the SS-bond potential: + D0CM 3.78000000000000 AKCM 15.1000000000000 AKTH + 11.0000000000000 AKCT 12.0000000000000 + V1SS -1.08000000000000 V2SS 7.61000000000000 V3SS + 13.7000000000000 + EBR -5.50000000000000 + ITEL + 1 21 0 + 2 14 1 + 3 5 1 + 4 8 1 + 5 4 1 + 6 13 1 + 7 7 1 + 8 5 1 + 9 19 1 + 10 16 1 + 11 10 1 + 12 10 2 + 13 20 1 + 14 12 1 + 15 12 1 + 16 10 1 + 17 18 2 + 18 20 2 + 19 20 2 + 20 20 1 + 21 12 0 + ns= 0 iss: + NZ_START= 2 NZ_END= 21 + IZ_SC= 0 + +Geometry of the virtual chain. + Res d Theta Gamma Dsc Alpha Beta +D 1 0.000 0.000 0.000 0.000 0.000 0.000 +ASN 2 3.800 0.000 0.000 1.684 0.000 0.000 +LEU 3 3.800 0.000 0.000 1.939 0.000 0.000 +TYR 4 3.800 0.000 0.000 2.484 0.000 0.000 +ILE 5 3.800 0.000 0.000 1.776 0.000 0.000 +GLN 6 3.800 0.000 0.000 2.240 0.000 0.000 +TRP 7 3.800 0.000 0.000 2.605 0.000 0.000 +LEU 8 3.800 0.000 0.000 1.939 0.000 0.000 +LYS 9 3.800 0.000 0.000 2.541 0.000 0.000 +ASP 10 3.800 0.000 0.000 1.709 0.000 0.000 +GLY 11 3.800 0.000 0.000 0.000 0.000 0.000 +GLY 12 3.800 0.000 0.000 0.000 0.000 0.000 +PRO 13 3.800 0.000 0.000 1.345 0.000 0.000 +SER 14 3.800 0.000 0.000 1.150 0.000 0.000 +SER 15 3.800 0.000 0.000 1.150 0.000 0.000 +GLY 16 3.800 0.000 0.000 0.000 0.000 0.000 +ARG 17 3.800 0.000 0.000 3.020 0.000 0.000 +PRO 18 3.800 0.000 0.000 1.345 0.000 0.000 +PRO 19 3.800 0.000 0.000 1.345 0.000 0.000 +PRO 20 3.800 0.000 0.000 1.345 0.000 0.000 +SER 21 3.800 0.000 0.000 1.150 0.000 0.000 +D 22 3.800 0.000 0.000 0.000 0.000 0.000 + + +******************************************************************************** + Processor 58: end reading molecular data. +******************************************************************************** + + +CSA calculations calculation. + +Conformations will be energy-minimized. +******************************************************************************** + +Waiting for 0.4609 sec +Waiting for 1.1953 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec + Finishing minim_jlee - signal 0 from master +Waiting for 0.7070 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0430 sec +Waiting for 0.5586 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.4727 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0039 sec +Waiting for 0.3164 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.4883 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3125 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.1328 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 1.0547 sec +Waiting for 0.0000 sec +Waiting for 0.0234 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.4531 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3398 sec +Waiting for 0.0352 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.6016 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 1.4062 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0586 sec +Waiting for 0.3867 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2656 sec +Waiting for 0.0039 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3242 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2383 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2852 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2500 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2891 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3398 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.3398 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.5586 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2617 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2617 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.3164 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.4492 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 1.1562 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2930 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3594 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.1992 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3555 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2305 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.5312 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3750 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3164 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3711 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3438 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2461 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.2891 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2461 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3281 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2070 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3477 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2500 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.3477 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.8555 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.4023 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.4102 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3477 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.4688 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3398 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 1.0078 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.3828 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3242 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2617 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3203 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3906 sec + Finishing minim_jlee - signal 0 from master + End of minim, proc 58 time 67.8203125000000 +CG processor 58 is finishing work. + Total wall clock time 74.6992187500000 sec diff --git a/examples/unres/CSA/GAB/CSA/local/1l2y_csa.out_GB059 b/examples/unres/CSA/GAB/CSA/local/1l2y_csa.out_GB059 new file mode 100644 index 0000000..56e863c --- /dev/null +++ b/examples/unres/CSA/GAB/CSA/local/1l2y_csa.out_GB059 @@ -0,0 +1,485 @@ +******************************************************************************** +United-residue force field calculation - parallel job. +******************************************************************************** + MPI: node= 59 iseed= -183584579 + ran_num 0.425136622647386 +RMSDBC = 3.0 +RMSDBC1 = 0.5 +RMSDBC1MAX = 1.5 +DRMS = 0.1 +RMSDBCM = 3.0 +Time limit (min): 960.0 + RESCALE_MODE 0 +Library routine used to diagonalize matrices. + +******************************************************************************** + Options in energy minimization: +******************************************************************************** +MaxMin: 3000 MaxFun: 1000MinMin: 3000 MinFun: 3000 TolF: 1.00000E-02 RTolF: 1.00000E-04 + NCONF_IN 0 + +Energy-term weights (unscaled): + +WSCC= 1.352790 (SC-SC) +WSCP= 1.593040 (SC-p) +WELEC= 0.715340 (p-p electr) +WVDWPP= 0.113710 (p-p VDW) +WBOND= 1.000000 (stretching) +WANG= 1.138730 (bending) +WSCLOC= 0.162580 (SC local) +WTOR= 1.985990 (torsional) +WTORD= 1.570690 (double torsional) +WSTRAIN= 1.000000 (SS bridges & dist. cnstr.) +WEL_LOC= 0.160360 (multi-body 3-rd order) +WCORR4= 0.428870 (multi-body 4th order) +WCORR5= 0.000000 (multi-body 5th order) +WCORR6= 0.000000 (multi-body 6th order) +WSCCOR= 0.000000 (back-scloc correlation) +WTURN3= 1.687220 (turns, 3rd order) +WTURN4= 0.662300 (turns, 4th order) +WTURN6= 0.000000 (turns, 6th order) +WDFA_D= 0.000000 (DFA, distance) +WDFA_T= 0.000000 (DFA, torsional) +WDFA_N= 0.000000 (DFA, number of neighbor) +WDFA_B= 0.000000 (DFA, beta formation) + +Hydrogen-bonding correlation between contact pairs of peptide groups + +Scaling factor of 1,4 SC-p interactions: 0.400 +General scaling factor of SC-p interactions: 1.000 + +Energy-term weights (scaled): + +WSCC= 1.352790 (SC-SC) +WSCP= 1.593040 (SC-p) +WELEC= 0.715340 (p-p electr) +WVDWPP= 0.113710 (p-p VDW) +WBOND= 1.000000 (stretching) +WANG= 1.138730 (bending) +WSCLOC= 0.162580 (SC local) +WTOR= 1.985990 (torsional) +WTORD= 1.570690 (double torsional) +WSTRAIN= 1.000000 (SS bridges & dist. cnstr.) +WEL_LOC= 0.160360 (multi-body 3-rd order) +WCORR4= 0.428870 (multi-body 4th order) +WCORR5= 0.000000 (multi-body 5th order) +WCORR6= 0.000000 (multi-body 6th order) +WSCCOR= 0.000000 (back-scloc correlatkion) +WTURN3= 1.687220 (turns, 3rd order) +WTURN4= 0.662300 (turns, 4th order) +WTURN6= 0.000000 (turns, 6th order) +WDFA_D= 0.000000 (DFA, distance) +WDFA_T= 0.000000 (DFA, torsional) +WDFA_N= 0.000000 (DFA, number of neighbor) +WDFA_B= 0.000000 (DFA, beta formation) + Reference temperature for weights calculation: 300.000000000000 + Parameters of the SS-bond potential: + D0CM 3.78000000000000 AKCM 15.1000000000000 AKTH + 11.0000000000000 AKCT 12.0000000000000 + V1SS -1.08000000000000 V2SS 7.61000000000000 V3SS + 13.7000000000000 + EBR -5.50000000000000 + ITEL + 1 21 0 + 2 14 1 + 3 5 1 + 4 8 1 + 5 4 1 + 6 13 1 + 7 7 1 + 8 5 1 + 9 19 1 + 10 16 1 + 11 10 1 + 12 10 2 + 13 20 1 + 14 12 1 + 15 12 1 + 16 10 1 + 17 18 2 + 18 20 2 + 19 20 2 + 20 20 1 + 21 12 0 + ns= 0 iss: + NZ_START= 2 NZ_END= 21 + IZ_SC= 0 + +Geometry of the virtual chain. + Res d Theta Gamma Dsc Alpha Beta +D 1 0.000 0.000 0.000 0.000 0.000 0.000 +ASN 2 3.800 0.000 0.000 1.684 0.000 0.000 +LEU 3 3.800 0.000 0.000 1.939 0.000 0.000 +TYR 4 3.800 0.000 0.000 2.484 0.000 0.000 +ILE 5 3.800 0.000 0.000 1.776 0.000 0.000 +GLN 6 3.800 0.000 0.000 2.240 0.000 0.000 +TRP 7 3.800 0.000 0.000 2.605 0.000 0.000 +LEU 8 3.800 0.000 0.000 1.939 0.000 0.000 +LYS 9 3.800 0.000 0.000 2.541 0.000 0.000 +ASP 10 3.800 0.000 0.000 1.709 0.000 0.000 +GLY 11 3.800 0.000 0.000 0.000 0.000 0.000 +GLY 12 3.800 0.000 0.000 0.000 0.000 0.000 +PRO 13 3.800 0.000 0.000 1.345 0.000 0.000 +SER 14 3.800 0.000 0.000 1.150 0.000 0.000 +SER 15 3.800 0.000 0.000 1.150 0.000 0.000 +GLY 16 3.800 0.000 0.000 0.000 0.000 0.000 +ARG 17 3.800 0.000 0.000 3.020 0.000 0.000 +PRO 18 3.800 0.000 0.000 1.345 0.000 0.000 +PRO 19 3.800 0.000 0.000 1.345 0.000 0.000 +PRO 20 3.800 0.000 0.000 1.345 0.000 0.000 +SER 21 3.800 0.000 0.000 1.150 0.000 0.000 +D 22 3.800 0.000 0.000 0.000 0.000 0.000 + + +******************************************************************************** + Processor 59: end reading molecular data. +******************************************************************************** + + +CSA calculations calculation. + +Conformations will be energy-minimized. +******************************************************************************** + +Waiting for 0.4453 sec +Waiting for 0.0000 sec +Waiting for 1.0547 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.1328 sec +Waiting for 0.0000 sec + Finishing minim_jlee - signal 0 from master +Waiting for 0.6836 sec +Waiting for 0.0312 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0781 sec +Waiting for 0.5781 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3281 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3047 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.4805 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.3359 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 1.0742 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.4375 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3594 sec +Waiting for 0.0195 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.7539 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 1.3945 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.4492 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.1836 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0273 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.4414 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2461 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3320 sec +Waiting for 0.0039 sec +Waiting for 0.0078 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2852 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2500 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2812 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3086 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.5625 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3008 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3594 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3906 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.4375 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 1.1562 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3125 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.4023 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.1719 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2031 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3047 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.4922 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.4414 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3125 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3398 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3906 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2969 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3438 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.1289 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3438 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3555 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3672 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.3164 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.3242 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.9961 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3906 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.4531 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3125 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.4609 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.2930 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.9648 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3672 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3086 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.3203 sec +Waiting for 0.0039 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.4258 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0000 sec +Waiting for 0.0039 sec +Waiting for 0.4219 sec + Finishing minim_jlee - signal 0 from master + End of minim, proc 59 time 67.8203125000000 +CG processor 59 is finishing work. + Total wall clock time 74.6953125000000 sec diff --git a/examples/unres/CSA/GAB/CSA/local/1l2y_csa@001.pdb b/examples/unres/CSA/GAB/CSA/local/1l2y_csa@001.pdb new file mode 100644 index 0000000..25bf9de --- /dev/null +++ b/examples/unres/CSA/GAB/CSA/local/1l2y_csa@001.pdb @@ -0,0 +1,61 @@ +REMARK GM 1 e 1127 m 1 rms 2.12 %NC 60.0 ENERGY -8.06345E+01 +HELIX 1 H1 TYR 3 GLY 10 1 7 +ATOM 1 CA ASN 1 3.800 0.000 0.000 0.000 +ATOM 2 CB ASN 1 5.323 0.688 0.208 0.000 +ATOM 3 CA LEU 2 5.492 -3.403 0.000 0.000 +ATOM 4 CB LEU 2 6.179 -5.152 -0.476 0.000 +ATOM 5 CA TYR 3 8.850 -1.843 -0.852 0.000 +ATOM 6 CB TYR 3 9.970 -1.568 -3.052 0.000 +ATOM 7 CA ILE 4 9.604 -1.008 2.778 0.000 +ATOM 8 CB ILE 4 9.214 0.609 3.402 0.000 +ATOM 9 CA GLN 5 8.079 -4.284 3.952 0.000 +ATOM 10 CB GLN 5 6.153 -3.145 3.856 0.000 +ATOM 11 CA TRP 6 10.115 -6.190 1.370 0.000 +ATOM 12 CB TRP 6 10.610 -8.320 -0.045 0.000 +ATOM 13 CA LEU 7 13.158 -4.023 2.066 0.000 +ATOM 14 CB LEU 7 13.200 -3.710 0.153 0.000 +ATOM 15 CA LYS 8 12.747 -4.555 5.806 0.000 +ATOM 16 CB LYS 8 11.679 -2.373 6.549 0.000 +ATOM 17 CA ASP 9 12.202 -8.289 5.355 0.000 +ATOM 18 CB ASP 9 10.638 -8.226 4.668 0.000 +ATOM 19 CA GLY 10 15.930 -8.773 4.798 0.000 +ATOM 20 CA GLY 11 16.615 -6.812 1.616 0.000 +ATOM 21 CA PRO 12 14.641 -8.988 -0.795 0.000 +ATOM 22 CB PRO 12 15.561 -8.874 -1.769 0.000 +ATOM 23 CA SER 13 15.313 -12.146 1.208 0.000 +ATOM 24 CB SER 13 15.924 -11.989 2.170 0.000 +ATOM 25 CA SER 14 11.825 -12.216 2.716 0.000 +ATOM 26 CB SER 14 12.146 -11.118 2.593 0.000 +ATOM 27 CA GLY 15 9.894 -15.232 1.446 0.000 +ATOM 28 CA ARG 16 8.369 -13.399 -1.513 0.000 +ATOM 29 CB ARG 16 5.902 -14.351 -0.053 0.000 +ATOM 30 CA PRO 17 9.882 -12.007 -4.708 0.000 +ATOM 31 CB PRO 17 8.616 -12.244 -5.096 0.000 +ATOM 32 CA PRO 18 12.071 -8.915 -4.408 0.000 +ATOM 33 CB PRO 18 12.878 -9.571 -5.262 0.000 +ATOM 34 CA PRO 19 10.719 -5.546 -5.531 0.000 +ATOM 35 CB PRO 19 10.380 -5.507 -4.230 0.000 +ATOM 36 CA SER 20 12.973 -3.232 -7.533 0.000 +ATOM 37 CB SER 20 12.764 -3.471 -8.638 0.000 +TER +CONECT 1 3 2 +CONECT 3 5 4 +CONECT 5 7 6 +CONECT 7 9 8 +CONECT 9 11 10 +CONECT 11 13 12 +CONECT 13 15 14 +CONECT 15 17 16 +CONECT 17 19 18 +CONECT 19 20 +CONECT 20 21 +CONECT 21 23 22 +CONECT 23 25 24 +CONECT 25 27 26 +CONECT 27 28 +CONECT 28 30 29 +CONECT 30 32 31 +CONECT 32 34 33 +CONECT 34 36 35 +CONECT 36 37 +ENDMDL diff --git a/examples/unres/CSA/GAB/CSA/local/1l2y_csa@002.pdb b/examples/unres/CSA/GAB/CSA/local/1l2y_csa@002.pdb new file mode 100644 index 0000000..336fe3b --- /dev/null +++ b/examples/unres/CSA/GAB/CSA/local/1l2y_csa@002.pdb @@ -0,0 +1,61 @@ +REMARK GM 2 e 3449 m 3 rms 2.61 %NC 40.0 ENERGY -8.19285E+01 +HELIX 1 H1 LEU 2 ASP 9 1 7 +ATOM 1 CA ASN 1 3.800 0.000 0.000 0.000 +ATOM 2 CB ASN 1 4.185 1.521 0.612 0.000 +ATOM 3 CA LEU 2 5.321 -3.482 0.000 0.000 +ATOM 4 CB LEU 2 4.162 -4.943 -0.532 0.000 +ATOM 5 CA TYR 3 8.700 -2.104 -1.058 0.000 +ATOM 6 CB TYR 3 10.549 -1.903 -2.705 0.000 +ATOM 7 CA ILE 4 9.198 -0.509 2.355 0.000 +ATOM 8 CB ILE 4 8.507 1.084 2.728 0.000 +ATOM 9 CA GLN 5 8.195 -3.776 4.015 0.000 +ATOM 10 CB GLN 5 6.091 -3.043 3.788 0.000 +ATOM 11 CA TRP 6 10.729 -5.610 1.857 0.000 +ATOM 12 CB TRP 6 11.892 -7.742 0.915 0.000 +ATOM 13 CA LEU 7 13.288 -2.890 2.559 0.000 +ATOM 14 CB LEU 7 13.804 -1.027 2.413 0.000 +ATOM 15 CA LYS 8 12.874 -3.404 6.302 0.000 +ATOM 16 CB LYS 8 10.999 -1.706 6.540 0.000 +ATOM 17 CA ASP 9 14.022 -7.017 6.043 0.000 +ATOM 18 CB ASP 9 12.934 -7.868 5.037 0.000 +ATOM 19 CA GLY 10 17.511 -6.101 7.237 0.000 +ATOM 20 CA GLY 11 17.532 -2.385 6.445 0.000 +ATOM 21 CA PRO 12 17.732 -2.620 2.658 0.000 +ATOM 22 CB PRO 12 18.786 -1.785 2.615 0.000 +ATOM 23 CA SER 13 19.279 -6.090 2.746 0.000 +ATOM 24 CB SER 13 19.487 -6.581 3.765 0.000 +ATOM 25 CA SER 14 16.056 -7.858 1.784 0.000 +ATOM 26 CB SER 14 15.533 -6.880 2.090 0.000 +ATOM 27 CA GLY 15 16.436 -9.752 -1.488 0.000 +ATOM 28 CA ARG 16 15.073 -6.953 -3.667 0.000 +ATOM 29 CB ARG 16 13.403 -5.198 -1.864 0.000 +ATOM 30 CA PRO 17 16.395 -3.429 -4.184 0.000 +ATOM 31 CB PRO 17 15.922 -3.691 -5.416 0.000 +ATOM 32 CA PRO 18 15.383 -0.752 -1.684 0.000 +ATOM 33 CB PRO 18 16.707 -0.709 -1.452 0.000 +ATOM 34 CA PRO 19 13.175 2.146 -2.767 0.000 +ATOM 35 CB PRO 19 12.405 1.693 -1.761 0.000 +ATOM 36 CA SER 20 14.652 5.647 -2.803 0.000 +ATOM 37 CB SER 20 15.031 5.645 -3.889 0.000 +TER +CONECT 1 3 2 +CONECT 3 5 4 +CONECT 5 7 6 +CONECT 7 9 8 +CONECT 9 11 10 +CONECT 11 13 12 +CONECT 13 15 14 +CONECT 15 17 16 +CONECT 17 19 18 +CONECT 19 20 +CONECT 20 21 +CONECT 21 23 22 +CONECT 23 25 24 +CONECT 25 27 26 +CONECT 27 28 +CONECT 28 30 29 +CONECT 30 32 31 +CONECT 32 34 33 +CONECT 34 36 35 +CONECT 36 37 +ENDMDL diff --git a/examples/unres/CSA/GAB/CSA/local/1l2y_csa@003.pdb b/examples/unres/CSA/GAB/CSA/local/1l2y_csa@003.pdb new file mode 100644 index 0000000..a90fe68 --- /dev/null +++ b/examples/unres/CSA/GAB/CSA/local/1l2y_csa@003.pdb @@ -0,0 +1,61 @@ +REMARK GM 3 e 4153 m 4 rms 1.80 %NC 66.7 ENERGY -8.48152E+01 +HELIX 1 H1 TYR 3 GLY 10 1 7 +ATOM 1 CA ASN 1 3.800 0.000 0.000 0.000 +ATOM 2 CB ASN 1 5.221 0.823 0.371 0.000 +ATOM 3 CA LEU 2 5.344 -3.472 0.000 0.000 +ATOM 4 CB LEU 2 5.789 -5.322 -0.374 0.000 +ATOM 5 CA TYR 3 8.635 -2.146 -1.359 0.000 +ATOM 6 CB TYR 3 9.631 -3.954 -2.741 0.000 +ATOM 7 CA ILE 4 9.834 -1.302 2.146 0.000 +ATOM 8 CB ILE 4 9.611 0.269 2.944 0.000 +ATOM 9 CA GLN 5 8.740 -4.721 3.393 0.000 +ATOM 10 CB GLN 5 6.712 -3.914 3.896 0.000 +ATOM 11 CA TRP 6 10.118 -6.334 0.240 0.000 +ATOM 12 CB TRP 6 10.118 -8.271 -1.502 0.000 +ATOM 13 CA LEU 7 13.266 -4.222 0.510 0.000 +ATOM 14 CB LEU 7 13.998 -2.427 0.467 0.000 +ATOM 15 CA LYS 8 13.743 -5.365 4.102 0.000 +ATOM 16 CB LYS 8 12.897 -3.208 5.144 0.000 +ATOM 17 CA ASP 9 13.136 -8.997 3.164 0.000 +ATOM 18 CB ASP 9 11.475 -9.062 2.770 0.000 +ATOM 19 CA GLY 10 16.544 -9.165 1.490 0.000 +ATOM 20 CA GLY 11 16.194 -6.806 -1.469 0.000 +ATOM 21 CA PRO 12 13.586 -8.833 -3.348 0.000 +ATOM 22 CB PRO 12 14.133 -8.712 -4.571 0.000 +ATOM 23 CA SER 13 14.854 -12.118 -1.920 0.000 +ATOM 24 CB SER 13 15.916 -11.733 -1.705 0.000 +ATOM 25 CA SER 14 11.961 -12.574 0.502 0.000 +ATOM 26 CB SER 14 10.958 -12.062 0.269 0.000 +ATOM 27 CA GLY 15 10.903 -16.007 -0.736 0.000 +ATOM 28 CA ARG 16 8.553 -14.673 -3.408 0.000 +ATOM 29 CB ARG 16 7.210 -11.975 -3.221 0.000 +ATOM 30 CA PRO 17 9.186 -12.870 -6.692 0.000 +ATOM 31 CB PRO 17 8.174 -13.683 -7.043 0.000 +ATOM 32 CA PRO 18 10.106 -9.188 -6.512 0.000 +ATOM 33 CB PRO 18 10.966 -9.484 -7.502 0.000 +ATOM 34 CA PRO 19 7.476 -6.590 -7.390 0.000 +ATOM 35 CB PRO 19 7.308 -6.660 -6.057 0.000 +ATOM 36 CA SER 20 8.460 -3.707 -9.662 0.000 +ATOM 37 CB SER 20 8.194 -4.146 -10.691 0.000 +TER +CONECT 1 3 2 +CONECT 3 5 4 +CONECT 5 7 6 +CONECT 7 9 8 +CONECT 9 11 10 +CONECT 11 13 12 +CONECT 13 15 14 +CONECT 15 17 16 +CONECT 17 19 18 +CONECT 19 20 +CONECT 20 21 +CONECT 21 23 22 +CONECT 23 25 24 +CONECT 25 27 26 +CONECT 27 28 +CONECT 28 30 29 +CONECT 30 32 31 +CONECT 32 34 33 +CONECT 34 36 35 +CONECT 36 37 +ENDMDL diff --git a/examples/unres/CSA/GAB/CSA/local/1l2y_csa@004.pdb b/examples/unres/CSA/GAB/CSA/local/1l2y_csa@004.pdb new file mode 100644 index 0000000..ae4d346 --- /dev/null +++ b/examples/unres/CSA/GAB/CSA/local/1l2y_csa@004.pdb @@ -0,0 +1,61 @@ +REMARK GM 4 e 6039 m 8 rms 2.39 %NC 60.0 ENERGY -8.64297E+01 +HELIX 1 H1 LEU 2 GLY 10 1 8 +ATOM 1 CA ASN 1 3.800 0.000 0.000 0.000 +ATOM 2 CB ASN 1 5.320 0.696 0.200 0.000 +ATOM 3 CA LEU 2 5.504 -3.397 0.000 0.000 +ATOM 4 CB LEU 2 6.070 -5.158 -0.580 0.000 +ATOM 5 CA TYR 3 8.884 -1.810 -0.703 0.000 +ATOM 6 CB TYR 3 10.519 -1.452 -2.539 0.000 +ATOM 7 CA ILE 4 9.408 -0.790 2.920 0.000 +ATOM 8 CB ILE 4 9.110 0.864 3.495 0.000 +ATOM 9 CA GLN 5 7.627 -3.894 4.196 0.000 +ATOM 10 CB GLN 5 5.741 -2.756 3.786 0.000 +ATOM 11 CA TRP 6 9.790 -6.078 1.963 0.000 +ATOM 12 CB TRP 6 9.990 -8.322 0.655 0.000 +ATOM 13 CA LEU 7 12.846 -3.973 2.781 0.000 +ATOM 14 CB LEU 7 13.218 -3.643 0.906 0.000 +ATOM 15 CA LYS 8 12.131 -4.297 6.499 0.000 +ATOM 16 CB LYS 8 11.181 -1.997 7.013 0.000 +ATOM 17 CA ASP 9 11.386 -8.009 6.175 0.000 +ATOM 18 CB ASP 9 9.861 -7.864 5.417 0.000 +ATOM 19 CA GLY 10 15.093 -8.748 5.786 0.000 +ATOM 20 CA GLY 11 16.042 -7.043 2.526 0.000 +ATOM 21 CA PRO 12 14.026 -9.196 0.130 0.000 +ATOM 22 CB PRO 12 13.952 -8.237 -0.810 0.000 +ATOM 23 CA SER 13 14.439 -12.305 2.275 0.000 +ATOM 24 CB SER 13 15.020 -12.131 3.252 0.000 +ATOM 25 CA SER 14 10.927 -12.063 3.706 0.000 +ATOM 26 CB SER 14 11.286 -10.980 3.568 0.000 +ATOM 27 CA GLY 15 8.178 -14.468 2.657 0.000 +ATOM 28 CA ARG 16 6.651 -12.088 0.118 0.000 +ATOM 29 CB ARG 16 6.537 -9.512 1.691 0.000 +ATOM 30 CA PRO 17 7.891 -11.198 -3.362 0.000 +ATOM 31 CB PRO 17 6.676 -10.622 -3.401 0.000 +ATOM 32 CA PRO 18 11.110 -9.206 -3.689 0.000 +ATOM 33 CB PRO 18 11.397 -10.116 -4.637 0.000 +ATOM 34 CA PRO 19 10.933 -5.553 -4.720 0.000 +ATOM 35 CB PRO 19 10.624 -5.450 -3.415 0.000 +ATOM 36 CA SER 20 13.568 -4.190 -7.094 0.000 +ATOM 37 CB SER 20 13.059 -4.245 -8.124 0.000 +TER +CONECT 1 3 2 +CONECT 3 5 4 +CONECT 5 7 6 +CONECT 7 9 8 +CONECT 9 11 10 +CONECT 11 13 12 +CONECT 13 15 14 +CONECT 15 17 16 +CONECT 17 19 18 +CONECT 19 20 +CONECT 20 21 +CONECT 21 23 22 +CONECT 23 25 24 +CONECT 25 27 26 +CONECT 27 28 +CONECT 28 30 29 +CONECT 30 32 31 +CONECT 32 34 33 +CONECT 34 36 35 +CONECT 36 37 +ENDMDL diff --git a/examples/unres/CSA/GAB/CSA/local/1l2y_csa@005.pdb b/examples/unres/CSA/GAB/CSA/local/1l2y_csa@005.pdb new file mode 100644 index 0000000..61c5681 --- /dev/null +++ b/examples/unres/CSA/GAB/CSA/local/1l2y_csa@005.pdb @@ -0,0 +1,61 @@ +REMARK GM 5 e 6753 m 9 rms 2.13 %NC 66.7 ENERGY -8.82952E+01 +HELIX 1 H1 TYR 3 GLY 10 1 7 +ATOM 1 CA ASN 1 3.800 0.000 0.000 0.000 +ATOM 2 CB ASN 1 5.161 0.845 0.519 0.000 +ATOM 3 CA LEU 2 5.252 -3.512 0.000 0.000 +ATOM 4 CB LEU 2 5.722 -5.339 -0.446 0.000 +ATOM 5 CA TYR 3 8.536 -2.298 -1.476 0.000 +ATOM 6 CB TYR 3 8.042 0.039 -2.159 0.000 +ATOM 7 CA ILE 4 9.844 -1.332 1.958 0.000 +ATOM 8 CB ILE 4 9.876 0.312 2.630 0.000 +ATOM 9 CA GLN 5 8.441 -4.538 3.439 0.000 +ATOM 10 CB GLN 5 6.519 -3.446 3.805 0.000 +ATOM 11 CA TRP 6 9.822 -6.527 0.511 0.000 +ATOM 12 CB TRP 6 10.000 -8.762 -0.816 0.000 +ATOM 13 CA LEU 7 13.096 -4.605 0.666 0.000 +ATOM 14 CB LEU 7 12.615 -3.771 -1.017 0.000 +ATOM 15 CA LYS 8 13.302 -5.203 4.413 0.000 +ATOM 16 CB LYS 8 12.825 -2.834 5.201 0.000 +ATOM 17 CA ASP 9 12.238 -8.829 4.014 0.000 +ATOM 18 CB ASP 9 11.213 -9.936 3.212 0.000 +ATOM 19 CA GLY 10 15.613 -9.709 2.504 0.000 +ATOM 20 CA GLY 11 15.944 -8.065 -0.906 0.000 +ATOM 21 CA PRO 12 13.424 -9.317 -3.459 0.000 +ATOM 22 CB PRO 12 13.014 -8.084 -3.804 0.000 +ATOM 23 CA SER 13 14.607 -12.913 -3.124 0.000 +ATOM 24 CB SER 13 15.693 -13.047 -2.772 0.000 +ATOM 25 CA SER 14 12.968 -13.306 0.282 0.000 +ATOM 26 CB SER 14 13.056 -12.160 0.242 0.000 +ATOM 27 CA GLY 15 9.972 -15.560 0.898 0.000 +ATOM 28 CA ARG 16 7.412 -12.877 0.067 0.000 +ATOM 29 CB ARG 16 7.328 -10.204 1.469 0.000 +ATOM 30 CA PRO 17 6.710 -11.605 -3.444 0.000 +ATOM 31 CB PRO 17 5.661 -11.037 -2.823 0.000 +ATOM 32 CA PRO 18 9.208 -9.313 -5.161 0.000 +ATOM 33 CB PRO 18 9.118 -10.224 -6.147 0.000 +ATOM 34 CA PRO 19 8.276 -5.689 -5.827 0.000 +ATOM 35 CB PRO 19 8.699 -5.585 -4.555 0.000 +ATOM 36 CA SER 20 9.191 -4.218 -9.210 0.000 +ATOM 37 CB SER 20 8.283 -3.736 -9.725 0.000 +TER +CONECT 1 3 2 +CONECT 3 5 4 +CONECT 5 7 6 +CONECT 7 9 8 +CONECT 9 11 10 +CONECT 11 13 12 +CONECT 13 15 14 +CONECT 15 17 16 +CONECT 17 19 18 +CONECT 19 20 +CONECT 20 21 +CONECT 21 23 22 +CONECT 23 25 24 +CONECT 25 27 26 +CONECT 27 28 +CONECT 28 30 29 +CONECT 30 32 31 +CONECT 32 34 33 +CONECT 34 36 35 +CONECT 36 37 +ENDMDL diff --git a/examples/unres/CSA/GAB/CSA/local/1l2y_csa@006.pdb b/examples/unres/CSA/GAB/CSA/local/1l2y_csa@006.pdb new file mode 100644 index 0000000..96331f5 --- /dev/null +++ b/examples/unres/CSA/GAB/CSA/local/1l2y_csa@006.pdb @@ -0,0 +1,61 @@ +REMARK GM 6 e 18809 m 30 rms 2.08 %NC 66.7 ENERGY -8.84318E+01 +HELIX 1 H1 TYR 3 GLY 10 1 7 +ATOM 1 CA ASN 1 3.800 0.000 0.000 0.000 +ATOM 2 CB ASN 1 5.147 0.856 0.538 0.000 +ATOM 3 CA LEU 2 5.246 -3.514 0.000 0.000 +ATOM 4 CB LEU 2 5.766 -5.325 -0.457 0.000 +ATOM 5 CA TYR 3 8.525 -2.308 -1.495 0.000 +ATOM 6 CB TYR 3 7.981 0.023 -2.159 0.000 +ATOM 7 CA ILE 4 9.840 -1.340 1.937 0.000 +ATOM 8 CB ILE 4 9.857 0.298 2.621 0.000 +ATOM 9 CA GLN 5 8.471 -4.565 3.410 0.000 +ATOM 10 CB GLN 5 6.555 -3.473 3.802 0.000 +ATOM 11 CA TRP 6 9.850 -6.526 0.462 0.000 +ATOM 12 CB TRP 6 10.177 -8.757 -0.843 0.000 +ATOM 13 CA LEU 7 13.112 -4.584 0.621 0.000 +ATOM 14 CB LEU 7 12.624 -3.763 -1.066 0.000 +ATOM 15 CA LYS 8 13.337 -5.213 4.362 0.000 +ATOM 16 CB LYS 8 12.851 -2.849 5.159 0.000 +ATOM 17 CA ASP 9 12.308 -8.846 3.935 0.000 +ATOM 18 CB ASP 9 11.296 -10.062 3.290 0.000 +ATOM 19 CA GLY 10 15.655 -9.670 2.334 0.000 +ATOM 20 CA GLY 11 16.015 -7.910 -1.014 0.000 +ATOM 21 CA PRO 12 13.653 -9.257 -3.668 0.000 +ATOM 22 CB PRO 12 13.137 -8.048 -3.953 0.000 +ATOM 23 CA SER 13 15.165 -12.739 -3.481 0.000 +ATOM 24 CB SER 13 16.265 -12.784 -3.149 0.000 +ATOM 25 CA SER 14 13.650 -13.399 -0.059 0.000 +ATOM 26 CB SER 14 13.209 -12.381 0.246 0.000 +ATOM 27 CA GLY 15 10.699 -15.614 0.848 0.000 +ATOM 28 CA ARG 16 8.072 -12.941 0.216 0.000 +ATOM 29 CB ARG 16 7.545 -10.240 1.458 0.000 +ATOM 30 CA PRO 17 7.059 -11.735 -3.242 0.000 +ATOM 31 CB PRO 17 6.038 -11.195 -2.553 0.000 +ATOM 32 CA PRO 18 9.330 -9.367 -5.159 0.000 +ATOM 33 CB PRO 18 9.214 -10.299 -6.122 0.000 +ATOM 34 CA PRO 19 8.198 -5.799 -5.811 0.000 +ATOM 35 CB PRO 19 8.673 -5.656 -4.561 0.000 +ATOM 36 CA SER 20 8.833 -4.349 -9.266 0.000 +ATOM 37 CB SER 20 7.867 -4.598 -9.838 0.000 +TER +CONECT 1 3 2 +CONECT 3 5 4 +CONECT 5 7 6 +CONECT 7 9 8 +CONECT 9 11 10 +CONECT 11 13 12 +CONECT 13 15 14 +CONECT 15 17 16 +CONECT 17 19 18 +CONECT 19 20 +CONECT 20 21 +CONECT 21 23 22 +CONECT 23 25 24 +CONECT 25 27 26 +CONECT 27 28 +CONECT 28 30 29 +CONECT 30 32 31 +CONECT 32 34 33 +CONECT 34 36 35 +CONECT 36 37 +ENDMDL diff --git a/examples/unres/CSA/GAB/CSA/local/1l2y_csa@007.pdb b/examples/unres/CSA/GAB/CSA/local/1l2y_csa@007.pdb new file mode 100644 index 0000000..6a16e4b --- /dev/null +++ b/examples/unres/CSA/GAB/CSA/local/1l2y_csa@007.pdb @@ -0,0 +1,61 @@ +REMARK GM 7 e 21156 m 33 rms 2.29 %NC 46.7 ENERGY -8.89160E+01 +HELIX 1 H1 LEU 2 GLY 10 1 8 +ATOM 1 CA ASN 1 3.800 0.000 0.000 0.000 +ATOM 2 CB ASN 1 4.406 1.379 0.753 0.000 +ATOM 3 CA LEU 2 5.392 -3.451 0.000 0.000 +ATOM 4 CB LEU 2 6.173 -5.130 -0.574 0.000 +ATOM 5 CA TYR 3 8.841 -1.945 -0.524 0.000 +ATOM 6 CB TYR 3 8.089 0.350 -1.106 0.000 +ATOM 7 CA ILE 4 8.951 -0.748 3.081 0.000 +ATOM 8 CB ILE 4 8.431 0.890 3.528 0.000 +ATOM 9 CA GLN 5 7.624 -4.099 4.286 0.000 +ATOM 10 CB GLN 5 5.522 -3.393 3.967 0.000 +ATOM 11 CA TRP 6 9.953 -5.893 1.879 0.000 +ATOM 12 CB TRP 6 10.423 -7.956 0.359 0.000 +ATOM 13 CA LEU 7 12.805 -3.565 2.821 0.000 +ATOM 14 CB LEU 7 12.857 -3.002 0.966 0.000 +ATOM 15 CA LYS 8 12.137 -4.181 6.511 0.000 +ATOM 16 CB LYS 8 10.855 -2.044 7.008 0.000 +ATOM 17 CA ASP 9 11.884 -7.934 5.973 0.000 +ATOM 18 CB ASP 9 10.352 -7.875 5.217 0.000 +ATOM 19 CA GLY 10 15.655 -8.161 5.558 0.000 +ATOM 20 CA GLY 11 16.302 -6.164 2.391 0.000 +ATOM 21 CA PRO 12 14.537 -8.429 -0.098 0.000 +ATOM 22 CB PRO 12 14.307 -7.435 -0.975 0.000 +ATOM 23 CA SER 13 15.418 -11.570 1.850 0.000 +ATOM 24 CB SER 13 15.951 -11.374 2.850 0.000 +ATOM 25 CA SER 14 11.931 -12.008 3.296 0.000 +ATOM 26 CB SER 14 11.236 -11.115 3.092 0.000 +ATOM 27 CA GLY 15 9.444 -14.561 1.977 0.000 +ATOM 28 CA ARG 16 7.675 -12.109 -0.325 0.000 +ATOM 29 CB ARG 16 7.236 -9.685 1.421 0.000 +ATOM 30 CA PRO 17 8.635 -10.847 -3.778 0.000 +ATOM 31 CB PRO 17 7.402 -10.314 -3.696 0.000 +ATOM 32 CA PRO 18 11.641 -8.550 -4.134 0.000 +ATOM 33 CB PRO 18 11.962 -9.389 -5.136 0.000 +ATOM 34 CA PRO 19 11.048 -4.885 -4.944 0.000 +ATOM 35 CB PRO 19 10.704 -4.900 -3.643 0.000 +ATOM 36 CA SER 20 13.392 -3.259 -7.454 0.000 +ATOM 37 CB SER 20 12.816 -2.741 -8.304 0.000 +TER +CONECT 1 3 2 +CONECT 3 5 4 +CONECT 5 7 6 +CONECT 7 9 8 +CONECT 9 11 10 +CONECT 11 13 12 +CONECT 13 15 14 +CONECT 15 17 16 +CONECT 17 19 18 +CONECT 19 20 +CONECT 20 21 +CONECT 21 23 22 +CONECT 23 25 24 +CONECT 25 27 26 +CONECT 27 28 +CONECT 28 30 29 +CONECT 30 32 31 +CONECT 32 34 33 +CONECT 34 36 35 +CONECT 36 37 +ENDMDL diff --git a/examples/unres/CSA/GAB/CSA/local/1l2y_csa@008.pdb b/examples/unres/CSA/GAB/CSA/local/1l2y_csa@008.pdb new file mode 100644 index 0000000..c98631f --- /dev/null +++ b/examples/unres/CSA/GAB/CSA/local/1l2y_csa@008.pdb @@ -0,0 +1,61 @@ +REMARK GM 8 e 130954 m 181 rms 2.30 %NC 53.3 ENERGY -8.91419E+01 +HELIX 1 H1 TYR 3 GLY 10 1 7 +ATOM 1 CA ASN 1 3.800 0.000 0.000 0.000 +ATOM 2 CB ASN 1 5.128 0.923 0.470 0.000 +ATOM 3 CA LEU 2 5.226 -3.522 0.000 0.000 +ATOM 4 CB LEU 2 5.579 -5.325 -0.620 0.000 +ATOM 5 CA TYR 3 8.538 -2.332 -1.433 0.000 +ATOM 6 CB TYR 3 8.116 0.028 -2.085 0.000 +ATOM 7 CA ILE 4 9.780 -1.225 1.984 0.000 +ATOM 8 CB ILE 4 9.765 0.450 2.572 0.000 +ATOM 9 CA GLN 5 8.371 -4.361 3.603 0.000 +ATOM 10 CB GLN 5 6.352 -3.412 3.797 0.000 +ATOM 11 CA TRP 6 9.741 -6.462 0.749 0.000 +ATOM 12 CB TRP 6 9.535 -8.633 -0.676 0.000 +ATOM 13 CA LEU 7 13.001 -4.510 0.803 0.000 +ATOM 14 CB LEU 7 12.596 -3.897 -0.992 0.000 +ATOM 15 CA LYS 8 13.292 -5.014 4.558 0.000 +ATOM 16 CB LYS 8 12.483 -2.750 5.380 0.000 +ATOM 17 CA ASP 9 12.456 -8.709 4.263 0.000 +ATOM 18 CB ASP 9 10.796 -8.433 3.964 0.000 +ATOM 19 CA GLY 10 15.937 -9.413 2.911 0.000 +ATOM 20 CA GLY 11 15.940 -7.524 -0.386 0.000 +ATOM 21 CA PRO 12 13.287 -9.562 -2.188 0.000 +ATOM 22 CB PRO 12 12.932 -8.550 -3.000 0.000 +ATOM 23 CA SER 13 14.301 -12.780 -0.440 0.000 +ATOM 24 CB SER 13 15.114 -12.651 0.363 0.000 +ATOM 25 CA SER 14 11.329 -12.785 1.927 0.000 +ATOM 26 CB SER 14 10.706 -11.820 1.888 0.000 +ATOM 27 CA GLY 15 8.302 -15.038 1.471 0.000 +ATOM 28 CA ARG 16 6.237 -12.422 -0.355 0.000 +ATOM 29 CB ARG 16 6.577 -9.923 1.306 0.000 +ATOM 30 CA PRO 17 6.372 -11.321 -3.989 0.000 +ATOM 31 CB PRO 17 5.245 -10.689 -3.615 0.000 +ATOM 32 CA PRO 18 9.383 -9.349 -5.207 0.000 +ATOM 33 CB PRO 18 9.353 -10.229 -6.224 0.000 +ATOM 34 CA PRO 19 8.969 -5.660 -6.021 0.000 +ATOM 35 CB PRO 19 9.038 -5.598 -4.679 0.000 +ATOM 36 CA SER 20 10.724 -4.346 -9.124 0.000 +ATOM 37 CB SER 20 9.933 -4.442 -9.952 0.000 +TER +CONECT 1 3 2 +CONECT 3 5 4 +CONECT 5 7 6 +CONECT 7 9 8 +CONECT 9 11 10 +CONECT 11 13 12 +CONECT 13 15 14 +CONECT 15 17 16 +CONECT 17 19 18 +CONECT 19 20 +CONECT 20 21 +CONECT 21 23 22 +CONECT 23 25 24 +CONECT 25 27 26 +CONECT 27 28 +CONECT 28 30 29 +CONECT 30 32 31 +CONECT 32 34 33 +CONECT 34 36 35 +CONECT 36 37 +ENDMDL diff --git a/examples/unres/CSA/GAB/CSA/local/1l2y_csa@009.pdb b/examples/unres/CSA/GAB/CSA/local/1l2y_csa@009.pdb new file mode 100644 index 0000000..25ef6b2 --- /dev/null +++ b/examples/unres/CSA/GAB/CSA/local/1l2y_csa@009.pdb @@ -0,0 +1,61 @@ +REMARK GM 9 e 138031 m 192 rms 2.30 %NC 53.3 ENERGY -8.93572E+01 +HELIX 1 H1 TYR 3 GLY 10 1 7 +ATOM 1 CA ASN 1 3.800 0.000 0.000 0.000 +ATOM 2 CB ASN 1 5.126 0.918 0.485 0.000 +ATOM 3 CA LEU 2 5.214 -3.527 0.000 0.000 +ATOM 4 CB LEU 2 5.568 -5.329 -0.623 0.000 +ATOM 5 CA TYR 3 8.532 -2.347 -1.427 0.000 +ATOM 6 CB TYR 3 8.117 0.017 -2.067 0.000 +ATOM 7 CA ILE 4 9.769 -1.250 1.994 0.000 +ATOM 8 CB ILE 4 9.759 0.426 2.582 0.000 +ATOM 9 CA GLN 5 8.352 -4.386 3.605 0.000 +ATOM 10 CB GLN 5 6.329 -3.445 3.808 0.000 +ATOM 11 CA TRP 6 9.731 -6.485 0.753 0.000 +ATOM 12 CB TRP 6 9.520 -8.640 -0.695 0.000 +ATOM 13 CA LEU 7 12.989 -4.531 0.814 0.000 +ATOM 14 CB LEU 7 12.584 -3.912 -0.978 0.000 +ATOM 15 CA LYS 8 13.282 -5.046 4.567 0.000 +ATOM 16 CB LYS 8 12.479 -2.778 5.387 0.000 +ATOM 17 CA ASP 9 12.435 -8.738 4.264 0.000 +ATOM 18 CB ASP 9 10.779 -8.442 3.967 0.000 +ATOM 19 CA GLY 10 15.913 -9.451 2.909 0.000 +ATOM 20 CA GLY 11 15.926 -7.546 -0.379 0.000 +ATOM 21 CA PRO 12 13.268 -9.566 -2.194 0.000 +ATOM 22 CB PRO 12 12.924 -8.550 -3.007 0.000 +ATOM 23 CA SER 13 14.259 -12.793 -0.451 0.000 +ATOM 24 CB SER 13 15.069 -12.674 0.357 0.000 +ATOM 25 CA SER 14 11.280 -12.791 1.908 0.000 +ATOM 26 CB SER 14 10.660 -11.823 1.870 0.000 +ATOM 27 CA GLY 15 8.250 -15.034 1.428 0.000 +ATOM 28 CA ARG 16 6.205 -12.413 -0.413 0.000 +ATOM 29 CB ARG 16 6.560 -9.935 1.275 0.000 +ATOM 30 CA PRO 17 6.359 -11.297 -4.042 0.000 +ATOM 31 CB PRO 17 5.238 -10.655 -3.668 0.000 +ATOM 32 CA PRO 18 9.388 -9.342 -5.243 0.000 +ATOM 33 CB PRO 18 9.356 -10.221 -6.260 0.000 +ATOM 34 CA PRO 19 8.997 -5.645 -6.032 0.000 +ATOM 35 CB PRO 19 9.048 -5.594 -4.689 0.000 +ATOM 36 CA SER 20 10.752 -4.329 -9.135 0.000 +ATOM 37 CB SER 20 10.029 -3.765 -9.829 0.000 +TER +CONECT 1 3 2 +CONECT 3 5 4 +CONECT 5 7 6 +CONECT 7 9 8 +CONECT 9 11 10 +CONECT 11 13 12 +CONECT 13 15 14 +CONECT 15 17 16 +CONECT 17 19 18 +CONECT 19 20 +CONECT 20 21 +CONECT 21 23 22 +CONECT 23 25 24 +CONECT 25 27 26 +CONECT 27 28 +CONECT 28 30 29 +CONECT 30 32 31 +CONECT 32 34 33 +CONECT 34 36 35 +CONECT 36 37 +ENDMDL diff --git a/examples/unres/CSA/GAB/CSA/local/1l2y_csa@010.pdb b/examples/unres/CSA/GAB/CSA/local/1l2y_csa@010.pdb new file mode 100644 index 0000000..689815b --- /dev/null +++ b/examples/unres/CSA/GAB/CSA/local/1l2y_csa@010.pdb @@ -0,0 +1,61 @@ +REMARK GM 10 e 201953 m 293 rms 2.30 %NC 53.3 ENERGY -8.93598E+01 +HELIX 1 H1 TYR 3 GLY 10 1 7 +ATOM 1 CA ASN 1 3.800 0.000 0.000 0.000 +ATOM 2 CB ASN 1 5.127 0.920 0.479 0.000 +ATOM 3 CA LEU 2 5.215 -3.527 0.000 0.000 +ATOM 4 CB LEU 2 5.572 -5.329 -0.620 0.000 +ATOM 5 CA TYR 3 8.526 -2.349 -1.444 0.000 +ATOM 6 CB TYR 3 8.100 0.012 -2.087 0.000 +ATOM 7 CA ILE 4 9.779 -1.243 1.969 0.000 +ATOM 8 CB ILE 4 9.773 0.434 2.553 0.000 +ATOM 9 CA GLN 5 8.365 -4.374 3.593 0.000 +ATOM 10 CB GLN 5 6.351 -3.415 3.796 0.000 +ATOM 11 CA TRP 6 9.737 -6.482 0.744 0.000 +ATOM 12 CB TRP 6 9.532 -8.641 -0.698 0.000 +ATOM 13 CA LEU 7 12.993 -4.523 0.789 0.000 +ATOM 14 CB LEU 7 12.584 -3.914 -1.006 0.000 +ATOM 15 CA LYS 8 13.298 -5.030 4.542 0.000 +ATOM 16 CB LYS 8 12.493 -2.764 5.363 0.000 +ATOM 17 CA ASP 9 12.463 -8.726 4.247 0.000 +ATOM 18 CB ASP 9 10.802 -8.451 3.953 0.000 +ATOM 19 CA GLY 10 15.939 -9.428 2.882 0.000 +ATOM 20 CA GLY 11 15.934 -7.533 -0.412 0.000 +ATOM 21 CA PRO 12 13.284 -9.568 -2.222 0.000 +ATOM 22 CB PRO 12 12.928 -8.554 -3.031 0.000 +ATOM 23 CA SER 13 14.302 -12.790 -0.482 0.000 +ATOM 24 CB SER 13 15.115 -12.661 0.321 0.000 +ATOM 25 CA SER 14 11.332 -12.800 1.889 0.000 +ATOM 26 CB SER 14 10.712 -11.832 1.854 0.000 +ATOM 27 CA GLY 15 8.304 -15.049 1.427 0.000 +ATOM 28 CA ARG 16 6.238 -12.422 -0.381 0.000 +ATOM 29 CB ARG 16 6.580 -9.930 1.289 0.000 +ATOM 30 CA PRO 17 6.360 -11.313 -4.014 0.000 +ATOM 31 CB PRO 17 5.239 -10.675 -3.632 0.000 +ATOM 32 CA PRO 18 9.374 -9.352 -5.243 0.000 +ATOM 33 CB PRO 18 9.337 -10.234 -6.258 0.000 +ATOM 34 CA PRO 19 8.969 -5.659 -6.041 0.000 +ATOM 35 CB PRO 19 9.029 -5.604 -4.698 0.000 +ATOM 36 CA SER 20 10.704 -4.344 -9.155 0.000 +ATOM 37 CB SER 20 9.974 -3.785 -9.847 0.000 +TER +CONECT 1 3 2 +CONECT 3 5 4 +CONECT 5 7 6 +CONECT 7 9 8 +CONECT 9 11 10 +CONECT 11 13 12 +CONECT 13 15 14 +CONECT 15 17 16 +CONECT 17 19 18 +CONECT 19 20 +CONECT 20 21 +CONECT 21 23 22 +CONECT 23 25 24 +CONECT 25 27 26 +CONECT 27 28 +CONECT 28 30 29 +CONECT 30 32 31 +CONECT 32 34 33 +CONECT 34 36 35 +CONECT 36 37 +ENDMDL diff --git a/examples/unres/CSA/GAB/CSA/local/1l2y_csa@011.pdb b/examples/unres/CSA/GAB/CSA/local/1l2y_csa@011.pdb new file mode 100644 index 0000000..520f0df --- /dev/null +++ b/examples/unres/CSA/GAB/CSA/local/1l2y_csa@011.pdb @@ -0,0 +1,61 @@ +REMARK GM 11 e 295857 m 549 rms 2.30 %NC 53.3 ENERGY -8.93598E+01 +HELIX 1 H1 TYR 3 GLY 10 1 7 +ATOM 1 CA ASN 1 3.800 0.000 0.000 0.000 +ATOM 2 CB ASN 1 5.122 0.919 0.492 0.000 +ATOM 3 CA LEU 2 5.222 -3.524 0.000 0.000 +ATOM 4 CB LEU 2 5.583 -5.323 -0.628 0.000 +ATOM 5 CA TYR 3 8.539 -2.336 -1.423 0.000 +ATOM 6 CB TYR 3 8.112 0.027 -2.059 0.000 +ATOM 7 CA ILE 4 9.775 -1.247 2.001 0.000 +ATOM 8 CB ILE 4 9.758 0.428 2.593 0.000 +ATOM 9 CA GLN 5 8.357 -4.387 3.603 0.000 +ATOM 10 CB GLN 5 6.341 -3.432 3.802 0.000 +ATOM 11 CA TRP 6 9.744 -6.479 0.749 0.000 +ATOM 12 CB TRP 6 9.547 -8.630 -0.707 0.000 +ATOM 13 CA LEU 7 12.997 -4.515 0.817 0.000 +ATOM 14 CB LEU 7 12.598 -3.906 -0.980 0.000 +ATOM 15 CA LYS 8 13.288 -5.043 4.569 0.000 +ATOM 16 CB LYS 8 12.474 -2.783 5.396 0.000 +ATOM 17 CA ASP 9 12.458 -8.738 4.250 0.000 +ATOM 18 CB ASP 9 10.798 -8.463 3.949 0.000 +ATOM 19 CA GLY 10 15.940 -9.429 2.895 0.000 +ATOM 20 CA GLY 11 15.945 -7.517 -0.389 0.000 +ATOM 21 CA PRO 12 13.306 -9.548 -2.219 0.000 +ATOM 22 CB PRO 12 12.952 -8.532 -3.026 0.000 +ATOM 23 CA SER 13 14.320 -12.776 -0.489 0.000 +ATOM 24 CB SER 13 15.129 -12.650 0.319 0.000 +ATOM 25 CA SER 14 11.339 -12.801 1.867 0.000 +ATOM 26 CB SER 14 10.718 -11.834 1.834 0.000 +ATOM 27 CA GLY 15 8.316 -15.051 1.378 0.000 +ATOM 28 CA ARG 16 6.256 -12.417 -0.426 0.000 +ATOM 29 CB ARG 16 6.588 -9.933 1.259 0.000 +ATOM 30 CA PRO 17 6.392 -11.288 -4.052 0.000 +ATOM 31 CB PRO 17 5.271 -10.650 -3.672 0.000 +ATOM 32 CA PRO 18 9.410 -9.319 -5.257 0.000 +ATOM 33 CB PRO 18 9.378 -10.195 -6.277 0.000 +ATOM 34 CA PRO 19 9.007 -5.622 -6.038 0.000 +ATOM 35 CB PRO 19 9.058 -5.574 -4.694 0.000 +ATOM 36 CA SER 20 10.756 -4.289 -9.137 0.000 +ATOM 37 CB SER 20 10.032 -3.717 -9.823 0.000 +TER +CONECT 1 3 2 +CONECT 3 5 4 +CONECT 5 7 6 +CONECT 7 9 8 +CONECT 9 11 10 +CONECT 11 13 12 +CONECT 13 15 14 +CONECT 15 17 16 +CONECT 17 19 18 +CONECT 19 20 +CONECT 20 21 +CONECT 21 23 22 +CONECT 23 25 24 +CONECT 25 27 26 +CONECT 27 28 +CONECT 28 30 29 +CONECT 30 32 31 +CONECT 32 34 33 +CONECT 34 36 35 +CONECT 36 37 +ENDMDL diff --git a/examples/unres/CSA/GAB/CSA/local/1l2y_csa@012.pdb b/examples/unres/CSA/GAB/CSA/local/1l2y_csa@012.pdb new file mode 100644 index 0000000..f299f42 --- /dev/null +++ b/examples/unres/CSA/GAB/CSA/local/1l2y_csa@012.pdb @@ -0,0 +1,61 @@ +REMARK GM 12 e 299719 m 561 rms 2.30 %NC 53.3 ENERGY -8.93600E+01 +HELIX 1 H1 TYR 3 GLY 10 1 7 +ATOM 1 CA ASN 1 3.800 0.000 0.000 0.000 +ATOM 2 CB ASN 1 5.122 0.918 0.495 0.000 +ATOM 3 CA LEU 2 5.217 -3.526 0.000 0.000 +ATOM 4 CB LEU 2 5.576 -5.324 -0.629 0.000 +ATOM 5 CA TYR 3 8.533 -2.341 -1.429 0.000 +ATOM 6 CB TYR 3 8.101 0.020 -2.067 0.000 +ATOM 7 CA ILE 4 9.776 -1.255 1.994 0.000 +ATOM 8 CB ILE 4 9.765 0.419 2.586 0.000 +ATOM 9 CA GLN 5 8.361 -4.397 3.596 0.000 +ATOM 10 CB GLN 5 6.341 -3.451 3.802 0.000 +ATOM 11 CA TRP 6 9.739 -6.487 0.736 0.000 +ATOM 12 CB TRP 6 9.538 -8.636 -0.722 0.000 +ATOM 13 CA LEU 7 12.995 -4.527 0.800 0.000 +ATOM 14 CB LEU 7 12.590 -3.907 -0.992 0.000 +ATOM 15 CA LYS 8 13.292 -5.058 4.551 0.000 +ATOM 16 CB LYS 8 12.483 -2.797 5.381 0.000 +ATOM 17 CA ASP 9 12.459 -8.752 4.229 0.000 +ATOM 18 CB ASP 9 10.798 -8.476 3.933 0.000 +ATOM 19 CA GLY 10 15.937 -9.445 2.866 0.000 +ATOM 20 CA GLY 11 15.939 -7.529 -0.415 0.000 +ATOM 21 CA PRO 12 13.294 -9.554 -2.244 0.000 +ATOM 22 CB PRO 12 12.938 -8.535 -3.047 0.000 +ATOM 23 CA SER 13 14.309 -12.786 -0.522 0.000 +ATOM 24 CB SER 13 15.120 -12.662 0.284 0.000 +ATOM 25 CA SER 14 11.334 -12.812 1.842 0.000 +ATOM 26 CB SER 14 10.714 -11.844 1.813 0.000 +ATOM 27 CA GLY 15 8.309 -15.060 1.357 0.000 +ATOM 28 CA ARG 16 6.245 -12.422 -0.438 0.000 +ATOM 29 CB ARG 16 6.582 -9.941 1.251 0.000 +ATOM 30 CA PRO 17 6.374 -11.286 -4.063 0.000 +ATOM 31 CB PRO 17 5.253 -10.650 -3.679 0.000 +ATOM 32 CA PRO 18 9.390 -9.316 -5.271 0.000 +ATOM 33 CB PRO 18 9.355 -10.190 -6.293 0.000 +ATOM 34 CA PRO 19 8.986 -5.617 -6.044 0.000 +ATOM 35 CB PRO 19 9.042 -5.572 -4.701 0.000 +ATOM 36 CA SER 20 10.727 -4.281 -9.146 0.000 +ATOM 37 CB SER 20 10.000 -3.715 -9.834 0.000 +TER +CONECT 1 3 2 +CONECT 3 5 4 +CONECT 5 7 6 +CONECT 7 9 8 +CONECT 9 11 10 +CONECT 11 13 12 +CONECT 13 15 14 +CONECT 15 17 16 +CONECT 17 19 18 +CONECT 19 20 +CONECT 20 21 +CONECT 21 23 22 +CONECT 23 25 24 +CONECT 25 27 26 +CONECT 27 28 +CONECT 28 30 29 +CONECT 30 32 31 +CONECT 32 34 33 +CONECT 34 36 35 +CONECT 36 37 +ENDMDL diff --git a/examples/unres/CSA/GAB/CSA/local/1l2y_csa@013.pdb b/examples/unres/CSA/GAB/CSA/local/1l2y_csa@013.pdb new file mode 100644 index 0000000..3b6541a --- /dev/null +++ b/examples/unres/CSA/GAB/CSA/local/1l2y_csa@013.pdb @@ -0,0 +1,61 @@ +REMARK GM 13 e 310129 m 584 rms 2.30 %NC 53.3 ENERGY -8.93603E+01 +HELIX 1 H1 TYR 3 GLY 10 1 7 +ATOM 1 CA ASN 1 3.800 0.000 0.000 0.000 +ATOM 2 CB ASN 1 5.125 0.917 0.489 0.000 +ATOM 3 CA LEU 2 5.216 -3.526 0.000 0.000 +ATOM 4 CB LEU 2 5.571 -5.326 -0.629 0.000 +ATOM 5 CA TYR 3 8.529 -2.346 -1.437 0.000 +ATOM 6 CB TYR 3 8.103 0.017 -2.073 0.000 +ATOM 7 CA ILE 4 9.780 -1.254 1.981 0.000 +ATOM 8 CB ILE 4 9.770 0.421 2.571 0.000 +ATOM 9 CA GLN 5 8.368 -4.393 3.591 0.000 +ATOM 10 CB GLN 5 6.348 -3.447 3.800 0.000 +ATOM 11 CA TRP 6 9.738 -6.487 0.731 0.000 +ATOM 12 CB TRP 6 9.530 -8.638 -0.724 0.000 +ATOM 13 CA LEU 7 12.995 -4.530 0.784 0.000 +ATOM 14 CB LEU 7 12.586 -3.914 -1.008 0.000 +ATOM 15 CA LYS 8 13.300 -5.056 4.535 0.000 +ATOM 16 CB LYS 8 12.494 -2.794 5.365 0.000 +ATOM 17 CA ASP 9 12.462 -8.749 4.222 0.000 +ATOM 18 CB ASP 9 10.802 -8.470 3.928 0.000 +ATOM 19 CA GLY 10 15.937 -9.447 2.852 0.000 +ATOM 20 CA GLY 11 15.933 -7.536 -0.433 0.000 +ATOM 21 CA PRO 12 13.280 -9.561 -2.251 0.000 +ATOM 22 CB PRO 12 12.925 -8.543 -3.056 0.000 +ATOM 23 CA SER 13 14.295 -12.791 -0.525 0.000 +ATOM 24 CB SER 13 15.107 -12.667 0.280 0.000 +ATOM 25 CA SER 14 11.324 -12.809 1.845 0.000 +ATOM 26 CB SER 14 10.704 -11.841 1.814 0.000 +ATOM 27 CA GLY 15 8.297 -15.055 1.370 0.000 +ATOM 28 CA ARG 16 6.233 -12.421 -0.430 0.000 +ATOM 29 CB ARG 16 6.578 -9.939 1.255 0.000 +ATOM 30 CA PRO 17 6.358 -11.293 -4.057 0.000 +ATOM 31 CB PRO 17 5.238 -10.655 -3.672 0.000 +ATOM 32 CA PRO 18 9.373 -9.327 -5.274 0.000 +ATOM 33 CB PRO 18 9.336 -10.204 -6.294 0.000 +ATOM 34 CA PRO 19 8.971 -5.630 -6.052 0.000 +ATOM 35 CB PRO 19 9.030 -5.582 -4.709 0.000 +ATOM 36 CA SER 20 10.707 -4.300 -9.160 0.000 +ATOM 37 CB SER 20 9.978 -3.737 -9.848 0.000 +TER +CONECT 1 3 2 +CONECT 3 5 4 +CONECT 5 7 6 +CONECT 7 9 8 +CONECT 9 11 10 +CONECT 11 13 12 +CONECT 13 15 14 +CONECT 15 17 16 +CONECT 17 19 18 +CONECT 19 20 +CONECT 20 21 +CONECT 21 23 22 +CONECT 23 25 24 +CONECT 25 27 26 +CONECT 27 28 +CONECT 28 30 29 +CONECT 30 32 31 +CONECT 32 34 33 +CONECT 34 36 35 +CONECT 36 37 +ENDMDL diff --git a/examples/unres/CSA/GAB/CSA/local/1l2y_csa@014.pdb b/examples/unres/CSA/GAB/CSA/local/1l2y_csa@014.pdb new file mode 100644 index 0000000..bfc5ab0 --- /dev/null +++ b/examples/unres/CSA/GAB/CSA/local/1l2y_csa@014.pdb @@ -0,0 +1,61 @@ +REMARK GM 14 e 823312 m 2173 rms 2.12 %NC 60.0 ENERGY -8.96443E+01 +HELIX 1 H1 TYR 3 GLY 10 1 7 +ATOM 1 CA ASN 1 3.800 0.000 0.000 0.000 +ATOM 2 CB ASN 1 5.425 0.424 0.130 0.000 +ATOM 3 CA LEU 2 4.058 -3.791 0.000 0.000 +ATOM 4 CB LEU 2 3.657 -5.627 -0.478 0.000 +ATOM 5 CA TYR 3 6.131 -3.741 -3.184 0.000 +ATOM 6 CB TYR 3 5.951 -1.303 -3.626 0.000 +ATOM 7 CA ILE 4 9.325 -3.148 -1.213 0.000 +ATOM 8 CB ILE 4 10.066 -1.555 -0.954 0.000 +ATOM 9 CA GLN 5 8.297 -5.776 1.332 0.000 +ATOM 10 CB GLN 5 7.178 -4.196 2.459 0.000 +ATOM 11 CA TRP 6 7.236 -8.111 -1.472 0.000 +ATOM 12 CB TRP 6 5.966 -10.209 -2.348 0.000 +ATOM 13 CA LEU 7 10.348 -7.251 -3.477 0.000 +ATOM 14 CB LEU 7 9.221 -6.367 -4.784 0.000 +ATOM 15 CA LYS 8 12.538 -7.784 -0.417 0.000 +ATOM 16 CB LYS 8 13.094 -5.375 0.171 0.000 +ATOM 17 CA ASP 9 10.694 -10.972 0.519 0.000 +ATOM 18 CB ASP 9 9.180 -10.391 1.060 0.000 +ATOM 19 CA GLY 10 12.242 -12.802 -2.429 0.000 +ATOM 20 CA GLY 11 10.929 -11.351 -5.686 0.000 +ATOM 21 CA PRO 12 7.203 -11.895 -6.196 0.000 +ATOM 22 CB PRO 12 6.969 -10.616 -6.540 0.000 +ATOM 23 CA SER 13 7.518 -15.657 -5.765 0.000 +ATOM 24 CB SER 13 8.566 -16.086 -5.963 0.000 +ATOM 25 CA SER 14 7.861 -15.358 -1.992 0.000 +ATOM 26 CB SER 14 8.177 -14.280 -2.237 0.000 +ATOM 27 CA GLY 15 5.107 -16.654 0.282 0.000 +ATOM 28 CA ARG 16 3.178 -13.380 0.288 0.000 +ATOM 29 CB ARG 16 4.379 -10.736 1.116 0.000 +ATOM 30 CA PRO 17 1.106 -11.972 -2.569 0.000 +ATOM 31 CB PRO 17 0.776 -11.053 -1.644 0.000 +ATOM 32 CA PRO 18 2.833 -10.607 -5.666 0.000 +ATOM 33 CB PRO 18 1.985 -11.435 -6.301 0.000 +ATOM 34 CA PRO 19 2.719 -6.872 -6.360 0.000 +ATOM 35 CB PRO 19 3.740 -6.912 -5.486 0.000 +ATOM 36 CA SER 20 2.080 -5.759 -9.936 0.000 +ATOM 37 CB SER 20 0.937 -5.639 -9.978 0.000 +TER +CONECT 1 3 2 +CONECT 3 5 4 +CONECT 5 7 6 +CONECT 7 9 8 +CONECT 9 11 10 +CONECT 11 13 12 +CONECT 13 15 14 +CONECT 15 17 16 +CONECT 17 19 18 +CONECT 19 20 +CONECT 20 21 +CONECT 21 23 22 +CONECT 23 25 24 +CONECT 25 27 26 +CONECT 27 28 +CONECT 28 30 29 +CONECT 30 32 31 +CONECT 32 34 33 +CONECT 34 36 35 +CONECT 36 37 +ENDMDL diff --git a/examples/unres/CSA/GAB/CSA/local/1l2y_csa@015.pdb b/examples/unres/CSA/GAB/CSA/local/1l2y_csa@015.pdb new file mode 100644 index 0000000..6f52357 --- /dev/null +++ b/examples/unres/CSA/GAB/CSA/local/1l2y_csa@015.pdb @@ -0,0 +1,61 @@ +REMARK GM 15 e 824501 m 2177 rms 2.74 %NC 53.3 ENERGY -8.96865E+01 +HELIX 1 H1 LEU 2 GLY 10 1 8 +ATOM 1 CA ASN 1 3.800 0.000 0.000 0.000 +ATOM 2 CB ASN 1 5.423 0.409 0.182 0.000 +ATOM 3 CA LEU 2 4.056 -3.791 0.000 0.000 +ATOM 4 CB LEU 2 3.296 -5.571 0.121 0.000 +ATOM 5 CA TYR 3 4.899 -3.828 -3.705 0.000 +ATOM 6 CB TYR 3 4.041 -6.116 -4.156 0.000 +ATOM 7 CA ILE 4 8.354 -2.403 -3.023 0.000 +ATOM 8 CB ILE 4 8.721 -0.665 -3.016 0.000 +ATOM 9 CA GLN 5 8.829 -4.876 -0.177 0.000 +ATOM 10 CB GLN 5 7.791 -3.468 1.222 0.000 +ATOM 11 CA TRP 6 7.505 -7.663 -2.394 0.000 +ATOM 12 CB TRP 6 6.209 -9.817 -3.078 0.000 +ATOM 13 CA LEU 7 9.715 -6.518 -5.265 0.000 +ATOM 14 CB LEU 7 8.244 -5.920 -6.378 0.000 +ATOM 15 CA LYS 8 12.688 -6.169 -2.924 0.000 +ATOM 16 CB LYS 8 12.745 -3.656 -2.550 0.000 +ATOM 17 CA ASP 9 11.991 -9.534 -1.301 0.000 +ATOM 18 CB ASP 9 10.654 -8.903 -0.444 0.000 +ATOM 19 CA GLY 10 13.322 -11.321 -4.380 0.000 +ATOM 20 CA GLY 11 10.853 -10.642 -7.188 0.000 +ATOM 21 CA PRO 12 7.933 -12.758 -5.990 0.000 +ATOM 22 CB PRO 12 7.143 -12.227 -6.940 0.000 +ATOM 23 CA SER 13 10.140 -15.050 -3.912 0.000 +ATOM 24 CB SER 13 11.267 -14.822 -3.880 0.000 +ATOM 25 CA SER 14 9.139 -13.421 -0.628 0.000 +ATOM 26 CB SER 14 8.768 -12.342 -0.768 0.000 +ATOM 27 CA GLY 15 6.159 -14.407 1.515 0.000 +ATOM 28 CA ARG 16 3.768 -11.915 -0.071 0.000 +ATOM 29 CB ARG 16 5.573 -9.613 0.680 0.000 +ATOM 30 CA PRO 17 1.402 -12.120 -3.038 0.000 +ATOM 31 CB PRO 17 0.980 -10.981 -2.461 0.000 +ATOM 32 CA PRO 18 2.786 -12.181 -6.576 0.000 +ATOM 33 CB PRO 18 1.978 -13.245 -6.731 0.000 +ATOM 34 CA PRO 19 2.223 -9.245 -8.922 0.000 +ATOM 35 CB PRO 19 3.382 -8.857 -8.360 0.000 +ATOM 36 CA SER 20 1.218 -9.980 -12.512 0.000 +ATOM 37 CB SER 20 0.259 -9.419 -12.808 0.000 +TER +CONECT 1 3 2 +CONECT 3 5 4 +CONECT 5 7 6 +CONECT 7 9 8 +CONECT 9 11 10 +CONECT 11 13 12 +CONECT 13 15 14 +CONECT 15 17 16 +CONECT 17 19 18 +CONECT 19 20 +CONECT 20 21 +CONECT 21 23 22 +CONECT 23 25 24 +CONECT 25 27 26 +CONECT 27 28 +CONECT 28 30 29 +CONECT 30 32 31 +CONECT 32 34 33 +CONECT 34 36 35 +CONECT 36 37 +ENDMDL diff --git a/examples/unres/CSA/GAB/CSA/local/1l2y_csa@016.pdb b/examples/unres/CSA/GAB/CSA/local/1l2y_csa@016.pdb new file mode 100644 index 0000000..e961fbc --- /dev/null +++ b/examples/unres/CSA/GAB/CSA/local/1l2y_csa@016.pdb @@ -0,0 +1,61 @@ +REMARK GM 16 e 834787 m 2213 rms 2.31 %NC 46.7 ENERGY -8.98122E+01 +HELIX 1 H1 TYR 3 GLY 10 1 7 +ATOM 1 CA ASN 1 3.800 0.000 0.000 0.000 +ATOM 2 CB ASN 1 4.381 0.233 1.563 0.000 +ATOM 3 CA LEU 2 4.046 -3.792 0.000 0.000 +ATOM 4 CB LEU 2 3.488 -5.622 0.317 0.000 +ATOM 5 CA TYR 3 2.281 -4.012 -3.358 0.000 +ATOM 6 CB TYR 3 1.625 -1.624 -3.559 0.000 +ATOM 7 CA ILE 4 5.474 -3.157 -5.233 0.000 +ATOM 8 CB ILE 4 5.820 -1.508 -5.793 0.000 +ATOM 9 CA GLN 5 7.480 -5.521 -3.035 0.000 +ATOM 10 CB GLN 5 7.763 -4.099 -1.328 0.000 +ATOM 11 CA TRP 6 4.738 -8.134 -3.345 0.000 +ATOM 12 CB TRP 6 3.310 -10.034 -2.279 0.000 +ATOM 13 CA LEU 7 4.389 -7.416 -7.060 0.000 +ATOM 14 CB LEU 7 2.575 -6.839 -6.690 0.000 +ATOM 15 CA LYS 8 8.125 -7.919 -7.540 0.000 +ATOM 16 CB LYS 8 8.738 -5.887 -6.142 0.000 +ATOM 17 CA ASP 9 8.075 -11.093 -5.451 0.000 +ATOM 18 CB ASP 9 7.909 -10.240 -3.980 0.000 +ATOM 19 CA GLY 10 6.415 -12.977 -8.303 0.000 +ATOM 20 CA GLY 11 3.028 -11.284 -8.621 0.000 +ATOM 21 CA PRO 12 1.537 -12.328 -5.285 0.000 +ATOM 22 CB PRO 12 0.683 -11.290 -5.237 0.000 +ATOM 23 CA SER 13 3.421 -15.628 -5.261 0.000 +ATOM 24 CB SER 13 4.158 -15.769 -6.132 0.000 +ATOM 25 CA SER 14 5.974 -14.488 -2.688 0.000 +ATOM 26 CB SER 14 5.930 -13.363 -2.455 0.000 +ATOM 27 CA GLY 15 5.818 -15.537 0.961 0.000 +ATOM 28 CA ARG 16 3.955 -12.427 2.101 0.000 +ATOM 29 CB ARG 16 5.545 -10.238 0.761 0.000 +ATOM 30 CA PRO 17 0.263 -11.543 1.939 0.000 +ATOM 31 CB PRO 17 0.695 -10.525 2.704 0.000 +ATOM 32 CA PRO 18 -1.318 -10.869 -1.449 0.000 +ATOM 33 CB PRO 18 -2.287 -11.678 -0.985 0.000 +ATOM 34 CA PRO 19 -2.243 -7.292 -2.340 0.000 +ATOM 35 CB PRO 19 -0.907 -7.240 -2.487 0.000 +ATOM 36 CA SER 20 -5.544 -6.746 -4.142 0.000 +ATOM 37 CB SER 20 -6.200 -5.968 -3.606 0.000 +TER +CONECT 1 3 2 +CONECT 3 5 4 +CONECT 5 7 6 +CONECT 7 9 8 +CONECT 9 11 10 +CONECT 11 13 12 +CONECT 13 15 14 +CONECT 15 17 16 +CONECT 17 19 18 +CONECT 19 20 +CONECT 20 21 +CONECT 21 23 22 +CONECT 23 25 24 +CONECT 25 27 26 +CONECT 27 28 +CONECT 28 30 29 +CONECT 30 32 31 +CONECT 32 34 33 +CONECT 34 36 35 +CONECT 36 37 +ENDMDL diff --git a/examples/unres/CSA/GAB/CSA/local/1l2y_csa@017.pdb b/examples/unres/CSA/GAB/CSA/local/1l2y_csa@017.pdb new file mode 100644 index 0000000..b597b7b --- /dev/null +++ b/examples/unres/CSA/GAB/CSA/local/1l2y_csa@017.pdb @@ -0,0 +1,61 @@ +REMARK GM 17 e 944890 m 2564 rms 2.30 %NC 46.7 ENERGY -8.98125E+01 +HELIX 1 H1 TYR 3 GLY 10 1 7 +ATOM 1 CA ASN 1 3.800 0.000 0.000 0.000 +ATOM 2 CB ASN 1 4.382 0.234 1.563 0.000 +ATOM 3 CA LEU 2 4.046 -3.792 0.000 0.000 +ATOM 4 CB LEU 2 3.491 -5.622 0.320 0.000 +ATOM 5 CA TYR 3 2.279 -4.013 -3.357 0.000 +ATOM 6 CB TYR 3 1.634 -1.622 -3.558 0.000 +ATOM 7 CA ILE 4 5.473 -3.170 -5.236 0.000 +ATOM 8 CB ILE 4 5.820 -1.522 -5.800 0.000 +ATOM 9 CA GLN 5 7.475 -5.537 -3.037 0.000 +ATOM 10 CB GLN 5 7.763 -4.121 -1.326 0.000 +ATOM 11 CA TRP 6 4.726 -8.143 -3.342 0.000 +ATOM 12 CB TRP 6 3.293 -10.039 -2.274 0.000 +ATOM 13 CA LEU 7 4.372 -7.426 -7.056 0.000 +ATOM 14 CB LEU 7 2.560 -6.845 -6.682 0.000 +ATOM 15 CA LYS 8 8.104 -7.945 -7.543 0.000 +ATOM 16 CB LYS 8 8.724 -5.914 -6.147 0.000 +ATOM 17 CA ASP 9 8.043 -11.118 -5.453 0.000 +ATOM 18 CB ASP 9 7.890 -10.253 -3.988 0.000 +ATOM 19 CA GLY 10 6.375 -12.996 -8.305 0.000 +ATOM 20 CA GLY 11 2.995 -11.287 -8.618 0.000 +ATOM 21 CA PRO 12 1.506 -12.330 -5.281 0.000 +ATOM 22 CB PRO 12 0.655 -11.289 -5.227 0.000 +ATOM 23 CA SER 13 3.378 -15.637 -5.264 0.000 +ATOM 24 CB SER 13 4.111 -15.780 -6.138 0.000 +ATOM 25 CA SER 14 5.939 -14.509 -2.694 0.000 +ATOM 26 CB SER 14 5.899 -13.383 -2.461 0.000 +ATOM 27 CA GLY 15 5.791 -15.560 0.954 0.000 +ATOM 28 CA ARG 16 3.943 -12.444 2.102 0.000 +ATOM 29 CB ARG 16 5.532 -10.255 0.761 0.000 +ATOM 30 CA PRO 17 0.255 -11.539 1.952 0.000 +ATOM 31 CB PRO 17 0.696 -10.519 2.711 0.000 +ATOM 32 CA PRO 18 -1.338 -10.860 -1.430 0.000 +ATOM 33 CB PRO 18 -2.307 -11.665 -0.960 0.000 +ATOM 34 CA PRO 19 -2.248 -7.279 -2.319 0.000 +ATOM 35 CB PRO 19 -0.912 -7.232 -2.470 0.000 +ATOM 36 CA SER 20 -5.553 -6.717 -4.107 0.000 +ATOM 37 CB SER 20 -6.202 -5.935 -3.567 0.000 +TER +CONECT 1 3 2 +CONECT 3 5 4 +CONECT 5 7 6 +CONECT 7 9 8 +CONECT 9 11 10 +CONECT 11 13 12 +CONECT 13 15 14 +CONECT 15 17 16 +CONECT 17 19 18 +CONECT 19 20 +CONECT 20 21 +CONECT 21 23 22 +CONECT 23 25 24 +CONECT 25 27 26 +CONECT 27 28 +CONECT 28 30 29 +CONECT 30 32 31 +CONECT 32 34 33 +CONECT 34 36 35 +CONECT 36 37 +ENDMDL diff --git a/examples/unres/CSA/GAB/CSA/local/1l2y_csa@018.pdb b/examples/unres/CSA/GAB/CSA/local/1l2y_csa@018.pdb new file mode 100644 index 0000000..db166cd --- /dev/null +++ b/examples/unres/CSA/GAB/CSA/local/1l2y_csa@018.pdb @@ -0,0 +1,61 @@ +REMARK GM 18 e 984203 m 2679 rms 2.31 %NC 46.7 ENERGY -8.98131E+01 +HELIX 1 H1 TYR 3 GLY 10 1 7 +ATOM 1 CA ASN 1 3.800 0.000 0.000 0.000 +ATOM 2 CB ASN 1 4.382 0.234 1.563 0.000 +ATOM 3 CA LEU 2 4.046 -3.792 0.000 0.000 +ATOM 4 CB LEU 2 3.491 -5.622 0.322 0.000 +ATOM 5 CA TYR 3 2.280 -4.012 -3.357 0.000 +ATOM 6 CB TYR 3 1.626 -1.625 -3.559 0.000 +ATOM 7 CA ILE 4 5.471 -3.159 -5.235 0.000 +ATOM 8 CB ILE 4 5.813 -1.509 -5.797 0.000 +ATOM 9 CA GLN 5 7.479 -5.521 -3.039 0.000 +ATOM 10 CB GLN 5 7.763 -4.105 -1.327 0.000 +ATOM 11 CA TRP 6 4.738 -8.135 -3.344 0.000 +ATOM 12 CB TRP 6 3.311 -10.032 -2.272 0.000 +ATOM 13 CA LEU 7 4.382 -7.418 -7.059 0.000 +ATOM 14 CB LEU 7 2.569 -6.843 -6.685 0.000 +ATOM 15 CA LYS 8 8.117 -7.926 -7.545 0.000 +ATOM 16 CB LYS 8 8.732 -5.894 -6.149 0.000 +ATOM 17 CA ASP 9 8.065 -11.099 -5.455 0.000 +ATOM 18 CB ASP 9 7.914 -10.231 -3.991 0.000 +ATOM 19 CA GLY 10 6.399 -12.982 -8.304 0.000 +ATOM 20 CA GLY 11 3.013 -11.285 -8.614 0.000 +ATOM 21 CA PRO 12 1.532 -12.328 -5.273 0.000 +ATOM 22 CB PRO 12 0.677 -11.291 -5.223 0.000 +ATOM 23 CA SER 13 3.419 -15.626 -5.251 0.000 +ATOM 24 CB SER 13 4.153 -15.769 -6.125 0.000 +ATOM 25 CA SER 14 5.977 -14.483 -2.684 0.000 +ATOM 26 CB SER 14 5.933 -13.357 -2.454 0.000 +ATOM 27 CA GLY 15 5.826 -15.530 0.966 0.000 +ATOM 28 CA ARG 16 3.965 -12.420 2.108 0.000 +ATOM 29 CB ARG 16 5.554 -10.234 0.760 0.000 +ATOM 30 CA PRO 17 0.272 -11.536 1.956 0.000 +ATOM 31 CB PRO 17 0.707 -10.519 2.721 0.000 +ATOM 32 CA PRO 18 -1.318 -10.865 -1.430 0.000 +ATOM 33 CB PRO 18 -2.286 -11.673 -0.961 0.000 +ATOM 34 CA PRO 19 -2.242 -7.288 -2.321 0.000 +ATOM 35 CB PRO 19 -0.906 -7.238 -2.473 0.000 +ATOM 36 CA SER 20 -5.549 -6.740 -4.111 0.000 +ATOM 37 CB SER 20 -6.202 -5.961 -3.574 0.000 +TER +CONECT 1 3 2 +CONECT 3 5 4 +CONECT 5 7 6 +CONECT 7 9 8 +CONECT 9 11 10 +CONECT 11 13 12 +CONECT 13 15 14 +CONECT 15 17 16 +CONECT 17 19 18 +CONECT 19 20 +CONECT 20 21 +CONECT 21 23 22 +CONECT 23 25 24 +CONECT 25 27 26 +CONECT 27 28 +CONECT 28 30 29 +CONECT 30 32 31 +CONECT 32 34 33 +CONECT 34 36 35 +CONECT 36 37 +ENDMDL diff --git a/examples/unres/CSA/GAB/CSA/local/1l2y_csa@019.pdb b/examples/unres/CSA/GAB/CSA/local/1l2y_csa@019.pdb new file mode 100644 index 0000000..df6050a --- /dev/null +++ b/examples/unres/CSA/GAB/CSA/local/1l2y_csa@019.pdb @@ -0,0 +1,61 @@ +REMARK GM 19 e 1044143 m 2853 rms 2.31 %NC 46.7 ENERGY -8.98132E+01 +HELIX 1 H1 TYR 3 GLY 10 1 7 +ATOM 1 CA ASN 1 3.800 0.000 0.000 0.000 +ATOM 2 CB ASN 1 4.382 0.234 1.563 0.000 +ATOM 3 CA LEU 2 4.046 -3.792 0.000 0.000 +ATOM 4 CB LEU 2 3.491 -5.622 0.320 0.000 +ATOM 5 CA TYR 3 2.281 -4.012 -3.358 0.000 +ATOM 6 CB TYR 3 1.627 -1.624 -3.560 0.000 +ATOM 7 CA ILE 4 5.473 -3.159 -5.234 0.000 +ATOM 8 CB ILE 4 5.817 -1.510 -5.796 0.000 +ATOM 9 CA GLN 5 7.481 -5.521 -3.037 0.000 +ATOM 10 CB GLN 5 7.763 -4.103 -1.326 0.000 +ATOM 11 CA TRP 6 4.740 -8.135 -3.343 0.000 +ATOM 12 CB TRP 6 3.312 -10.034 -2.275 0.000 +ATOM 13 CA LEU 7 4.386 -7.418 -7.058 0.000 +ATOM 14 CB LEU 7 2.572 -6.841 -6.686 0.000 +ATOM 15 CA LYS 8 8.120 -7.924 -7.543 0.000 +ATOM 16 CB LYS 8 8.735 -5.892 -6.146 0.000 +ATOM 17 CA ASP 9 8.071 -11.096 -5.451 0.000 +ATOM 18 CB ASP 9 7.915 -10.230 -3.986 0.000 +ATOM 19 CA GLY 10 6.410 -12.983 -8.301 0.000 +ATOM 20 CA GLY 11 3.025 -11.286 -8.618 0.000 +ATOM 21 CA PRO 12 1.538 -12.328 -5.280 0.000 +ATOM 22 CB PRO 12 0.684 -11.291 -5.230 0.000 +ATOM 23 CA SER 13 3.424 -15.628 -5.255 0.000 +ATOM 24 CB SER 13 4.159 -15.770 -6.128 0.000 +ATOM 25 CA SER 14 5.979 -14.485 -2.685 0.000 +ATOM 26 CB SER 14 5.934 -13.359 -2.454 0.000 +ATOM 27 CA GLY 15 5.824 -15.533 0.965 0.000 +ATOM 28 CA ARG 16 3.962 -12.424 2.106 0.000 +ATOM 29 CB ARG 16 5.551 -10.236 0.761 0.000 +ATOM 30 CA PRO 17 0.269 -11.540 1.948 0.000 +ATOM 31 CB PRO 17 0.702 -10.522 2.713 0.000 +ATOM 32 CA PRO 18 -1.317 -10.868 -1.439 0.000 +ATOM 33 CB PRO 18 -2.285 -11.677 -0.972 0.000 +ATOM 34 CA PRO 19 -2.240 -7.291 -2.330 0.000 +ATOM 35 CB PRO 19 -0.904 -7.240 -2.479 0.000 +ATOM 36 CA SER 20 -5.544 -6.743 -4.125 0.000 +ATOM 37 CB SER 20 -6.199 -5.964 -3.588 0.000 +TER +CONECT 1 3 2 +CONECT 3 5 4 +CONECT 5 7 6 +CONECT 7 9 8 +CONECT 9 11 10 +CONECT 11 13 12 +CONECT 13 15 14 +CONECT 15 17 16 +CONECT 17 19 18 +CONECT 19 20 +CONECT 20 21 +CONECT 21 23 22 +CONECT 23 25 24 +CONECT 25 27 26 +CONECT 27 28 +CONECT 28 30 29 +CONECT 30 32 31 +CONECT 32 34 33 +CONECT 34 36 35 +CONECT 36 37 +ENDMDL diff --git a/examples/unres/CSA/GAB/CSA/local/1l2y_csa@020.pdb b/examples/unres/CSA/GAB/CSA/local/1l2y_csa@020.pdb new file mode 100644 index 0000000..0b4a385 --- /dev/null +++ b/examples/unres/CSA/GAB/CSA/local/1l2y_csa@020.pdb @@ -0,0 +1,61 @@ +REMARK GM 20 e 1167743 m 3282 rms 2.31 %NC 53.3 ENERGY -9.08493E+01 +HELIX 1 H1 TYR 3 GLY 10 1 7 +ATOM 1 CA ASN 1 3.800 0.000 0.000 0.000 +ATOM 2 CB ASN 1 5.418 0.449 0.128 0.000 +ATOM 3 CA LEU 2 4.055 -3.791 0.000 0.000 +ATOM 4 CB LEU 2 3.500 -5.587 -0.479 0.000 +ATOM 5 CA TYR 3 6.092 -3.752 -3.208 0.000 +ATOM 6 CB TYR 3 6.004 -1.303 -3.611 0.000 +ATOM 7 CA ILE 4 9.316 -3.111 -1.302 0.000 +ATOM 8 CB ILE 4 9.995 -1.479 -1.124 0.000 +ATOM 9 CA GLN 5 8.381 -5.719 1.299 0.000 +ATOM 10 CB GLN 5 7.065 -4.375 2.515 0.000 +ATOM 11 CA TRP 6 7.259 -8.073 -1.466 0.000 +ATOM 12 CB TRP 6 5.607 -9.886 -2.345 0.000 +ATOM 13 CA LEU 7 10.310 -7.184 -3.549 0.000 +ATOM 14 CB LEU 7 9.086 -6.474 -4.874 0.000 +ATOM 15 CA LYS 8 12.586 -7.989 -0.614 0.000 +ATOM 16 CB LYS 8 11.705 -6.075 0.805 0.000 +ATOM 17 CA ASP 9 10.723 -11.228 0.081 0.000 +ATOM 18 CB ASP 9 9.385 -10.407 0.756 0.000 +ATOM 19 CA GLY 10 12.354 -12.848 -2.945 0.000 +ATOM 20 CA GLY 11 10.954 -10.856 -5.863 0.000 +ATOM 21 CA PRO 12 7.312 -11.905 -5.584 0.000 +ATOM 22 CB PRO 12 6.849 -10.802 -6.199 0.000 +ATOM 23 CA SER 13 8.208 -15.351 -4.256 0.000 +ATOM 24 CB SER 13 9.330 -15.520 -4.069 0.000 +ATOM 25 CA SER 14 7.263 -14.534 -0.667 0.000 +ATOM 26 CB SER 14 7.051 -13.418 -0.487 0.000 +ATOM 27 CA GLY 15 4.015 -15.704 0.920 0.000 +ATOM 28 CA ARG 16 2.127 -12.491 0.176 0.000 +ATOM 29 CB ARG 16 4.101 -10.393 1.083 0.000 +ATOM 30 CA PRO 17 0.424 -11.288 -3.000 0.000 +ATOM 31 CB PRO 17 0.001 -10.329 -2.157 0.000 +ATOM 32 CA PRO 18 2.565 -10.363 -6.000 0.000 +ATOM 33 CB PRO 18 1.667 -11.105 -6.672 0.000 +ATOM 34 CA PRO 19 2.912 -6.691 -6.912 0.000 +ATOM 35 CB PRO 19 3.704 -6.745 -5.826 0.000 +ATOM 36 CA SER 20 2.817 -5.801 -10.605 0.000 +ATOM 37 CB SER 20 2.034 -4.990 -10.830 0.000 +TER +CONECT 1 3 2 +CONECT 3 5 4 +CONECT 5 7 6 +CONECT 7 9 8 +CONECT 9 11 10 +CONECT 11 13 12 +CONECT 13 15 14 +CONECT 15 17 16 +CONECT 17 19 18 +CONECT 19 20 +CONECT 20 21 +CONECT 21 23 22 +CONECT 23 25 24 +CONECT 25 27 26 +CONECT 27 28 +CONECT 28 30 29 +CONECT 30 32 31 +CONECT 32 34 33 +CONECT 34 36 35 +CONECT 36 37 +ENDMDL diff --git a/examples/unres/CSA/GAB/CSA/local/1l2y_csa@021.pdb b/examples/unres/CSA/GAB/CSA/local/1l2y_csa@021.pdb new file mode 100644 index 0000000..7f2d5f3 --- /dev/null +++ b/examples/unres/CSA/GAB/CSA/local/1l2y_csa@021.pdb @@ -0,0 +1,61 @@ +REMARK GM 21 e 1441093 m 4172 rms 2.31 %NC 53.3 ENERGY -9.08497E+01 +HELIX 1 H1 TYR 3 GLY 10 1 7 +ATOM 1 CA ASN 1 3.800 0.000 0.000 0.000 +ATOM 2 CB ASN 1 5.415 0.458 0.141 0.000 +ATOM 3 CA LEU 2 4.056 -3.791 0.000 0.000 +ATOM 4 CB LEU 2 3.504 -5.588 -0.479 0.000 +ATOM 5 CA TYR 3 6.090 -3.751 -3.209 0.000 +ATOM 6 CB TYR 3 5.994 -1.301 -3.609 0.000 +ATOM 7 CA ILE 4 9.313 -3.099 -1.304 0.000 +ATOM 8 CB ILE 4 9.982 -1.463 -1.126 0.000 +ATOM 9 CA GLN 5 8.387 -5.710 1.296 0.000 +ATOM 10 CB GLN 5 7.068 -4.369 2.513 0.000 +ATOM 11 CA TRP 6 7.268 -8.066 -1.468 0.000 +ATOM 12 CB TRP 6 5.620 -9.882 -2.346 0.000 +ATOM 13 CA LEU 7 10.317 -7.170 -3.552 0.000 +ATOM 14 CB LEU 7 9.090 -6.465 -4.879 0.000 +ATOM 15 CA LYS 8 12.596 -7.968 -0.618 0.000 +ATOM 16 CB LYS 8 11.709 -6.056 0.800 0.000 +ATOM 17 CA ASP 9 10.742 -11.211 0.078 0.000 +ATOM 18 CB ASP 9 9.402 -10.394 0.753 0.000 +ATOM 19 CA GLY 10 12.375 -12.827 -2.949 0.000 +ATOM 20 CA GLY 11 10.967 -10.840 -5.866 0.000 +ATOM 21 CA PRO 12 7.329 -11.900 -5.584 0.000 +ATOM 22 CB PRO 12 6.862 -10.799 -6.200 0.000 +ATOM 23 CA SER 13 8.236 -15.342 -4.253 0.000 +ATOM 24 CB SER 13 9.359 -15.508 -4.066 0.000 +ATOM 25 CA SER 14 7.289 -14.525 -0.665 0.000 +ATOM 26 CB SER 14 7.073 -13.410 -0.486 0.000 +ATOM 27 CA GLY 15 4.041 -15.706 0.914 0.000 +ATOM 28 CA ARG 16 2.149 -12.494 0.175 0.000 +ATOM 29 CB ARG 16 4.118 -10.392 1.083 0.000 +ATOM 30 CA PRO 17 0.438 -11.296 -3.000 0.000 +ATOM 31 CB PRO 17 0.015 -10.338 -2.155 0.000 +ATOM 32 CA PRO 18 2.575 -10.368 -6.002 0.000 +ATOM 33 CB PRO 18 1.677 -11.112 -6.673 0.000 +ATOM 34 CA PRO 19 2.916 -6.695 -6.915 0.000 +ATOM 35 CB PRO 19 3.707 -6.748 -5.828 0.000 +ATOM 36 CA SER 20 2.816 -5.806 -10.608 0.000 +ATOM 37 CB SER 20 2.032 -4.996 -10.832 0.000 +TER +CONECT 1 3 2 +CONECT 3 5 4 +CONECT 5 7 6 +CONECT 7 9 8 +CONECT 9 11 10 +CONECT 11 13 12 +CONECT 13 15 14 +CONECT 15 17 16 +CONECT 17 19 18 +CONECT 19 20 +CONECT 20 21 +CONECT 21 23 22 +CONECT 23 25 24 +CONECT 25 27 26 +CONECT 27 28 +CONECT 28 30 29 +CONECT 30 32 31 +CONECT 32 34 33 +CONECT 34 36 35 +CONECT 36 37 +ENDMDL diff --git a/examples/unres/CSA/GAB/CSA/local/1l2y_csa@022.pdb b/examples/unres/CSA/GAB/CSA/local/1l2y_csa@022.pdb new file mode 100644 index 0000000..24caaf8 --- /dev/null +++ b/examples/unres/CSA/GAB/CSA/local/1l2y_csa@022.pdb @@ -0,0 +1,61 @@ +REMARK GM 22 e 1470737 m 4262 rms 2.31 %NC 53.3 ENERGY -9.08499E+01 +HELIX 1 H1 TYR 3 GLY 10 1 7 +ATOM 1 CA ASN 1 3.800 0.000 0.000 0.000 +ATOM 2 CB ASN 1 5.414 0.458 0.141 0.000 +ATOM 3 CA LEU 2 4.056 -3.791 0.000 0.000 +ATOM 4 CB LEU 2 3.504 -5.587 -0.479 0.000 +ATOM 5 CA TYR 3 6.090 -3.751 -3.209 0.000 +ATOM 6 CB TYR 3 5.994 -1.301 -3.610 0.000 +ATOM 7 CA ILE 4 9.313 -3.098 -1.305 0.000 +ATOM 8 CB ILE 4 9.982 -1.462 -1.127 0.000 +ATOM 9 CA GLN 5 8.387 -5.708 1.296 0.000 +ATOM 10 CB GLN 5 7.068 -4.367 2.512 0.000 +ATOM 11 CA TRP 6 7.269 -8.065 -1.467 0.000 +ATOM 12 CB TRP 6 5.621 -9.882 -2.345 0.000 +ATOM 13 CA LEU 7 10.317 -7.170 -3.552 0.000 +ATOM 14 CB LEU 7 9.090 -6.465 -4.878 0.000 +ATOM 15 CA LYS 8 12.597 -7.968 -0.618 0.000 +ATOM 16 CB LYS 8 11.711 -6.055 0.800 0.000 +ATOM 17 CA ASP 9 10.743 -11.211 0.080 0.000 +ATOM 18 CB ASP 9 9.403 -10.392 0.756 0.000 +ATOM 19 CA GLY 10 12.375 -12.828 -2.947 0.000 +ATOM 20 CA GLY 11 10.967 -10.842 -5.865 0.000 +ATOM 21 CA PRO 12 7.328 -11.899 -5.584 0.000 +ATOM 22 CB PRO 12 6.862 -10.798 -6.199 0.000 +ATOM 23 CA SER 13 8.234 -15.342 -4.253 0.000 +ATOM 24 CB SER 13 9.357 -15.508 -4.066 0.000 +ATOM 25 CA SER 14 7.288 -14.524 -0.664 0.000 +ATOM 26 CB SER 14 7.074 -13.408 -0.486 0.000 +ATOM 27 CA GLY 15 4.043 -15.698 0.927 0.000 +ATOM 28 CA ARG 16 2.149 -12.490 0.179 0.000 +ATOM 29 CB ARG 16 4.120 -10.389 1.086 0.000 +ATOM 30 CA PRO 17 0.440 -11.296 -2.998 0.000 +ATOM 31 CB PRO 17 0.015 -10.338 -2.155 0.000 +ATOM 32 CA PRO 18 2.577 -10.369 -6.000 0.000 +ATOM 33 CB PRO 18 1.680 -11.113 -6.671 0.000 +ATOM 34 CA PRO 19 2.914 -6.696 -6.914 0.000 +ATOM 35 CB PRO 19 3.707 -6.748 -5.828 0.000 +ATOM 36 CA SER 20 2.816 -5.808 -10.607 0.000 +ATOM 37 CB SER 20 2.031 -4.999 -10.833 0.000 +TER +CONECT 1 3 2 +CONECT 3 5 4 +CONECT 5 7 6 +CONECT 7 9 8 +CONECT 9 11 10 +CONECT 11 13 12 +CONECT 13 15 14 +CONECT 15 17 16 +CONECT 17 19 18 +CONECT 19 20 +CONECT 20 21 +CONECT 21 23 22 +CONECT 23 25 24 +CONECT 25 27 26 +CONECT 27 28 +CONECT 28 30 29 +CONECT 30 32 31 +CONECT 32 34 33 +CONECT 34 36 35 +CONECT 36 37 +ENDMDL diff --git a/examples/unres/CSA/GAB/CSA/local/1l2y_csa@023.pdb b/examples/unres/CSA/GAB/CSA/local/1l2y_csa@023.pdb new file mode 100644 index 0000000..a2866dc --- /dev/null +++ b/examples/unres/CSA/GAB/CSA/local/1l2y_csa@023.pdb @@ -0,0 +1,61 @@ +REMARK GM 23 e 1508843 m 4386 rms 2.31 %NC 53.3 ENERGY -9.08499E+01 +HELIX 1 H1 TYR 3 GLY 10 1 7 +ATOM 1 CA ASN 1 3.800 0.000 0.000 0.000 +ATOM 2 CB ASN 1 5.415 0.457 0.138 0.000 +ATOM 3 CA LEU 2 4.056 -3.791 0.000 0.000 +ATOM 4 CB LEU 2 3.503 -5.588 -0.478 0.000 +ATOM 5 CA TYR 3 6.087 -3.751 -3.211 0.000 +ATOM 6 CB TYR 3 5.991 -1.301 -3.612 0.000 +ATOM 7 CA ILE 4 9.312 -3.100 -1.310 0.000 +ATOM 8 CB ILE 4 9.983 -1.465 -1.132 0.000 +ATOM 9 CA GLN 5 8.388 -5.710 1.292 0.000 +ATOM 10 CB GLN 5 7.071 -4.369 2.510 0.000 +ATOM 11 CA TRP 6 7.266 -8.067 -1.470 0.000 +ATOM 12 CB TRP 6 5.617 -9.883 -2.347 0.000 +ATOM 13 CA LEU 7 10.312 -7.172 -3.558 0.000 +ATOM 14 CB LEU 7 9.085 -6.466 -4.883 0.000 +ATOM 15 CA LYS 8 12.595 -7.971 -0.627 0.000 +ATOM 16 CB LYS 8 11.711 -6.058 0.793 0.000 +ATOM 17 CA ASP 9 10.741 -11.213 0.072 0.000 +ATOM 18 CB ASP 9 9.402 -10.395 0.749 0.000 +ATOM 19 CA GLY 10 12.370 -12.830 -2.957 0.000 +ATOM 20 CA GLY 11 10.960 -10.843 -5.873 0.000 +ATOM 21 CA PRO 12 7.321 -11.900 -5.588 0.000 +ATOM 22 CB PRO 12 6.855 -10.799 -6.203 0.000 +ATOM 23 CA SER 13 8.228 -15.343 -4.259 0.000 +ATOM 24 CB SER 13 9.351 -15.509 -4.074 0.000 +ATOM 25 CA SER 14 7.286 -14.526 -0.670 0.000 +ATOM 26 CB SER 14 7.071 -13.411 -0.490 0.000 +ATOM 27 CA GLY 15 4.043 -15.704 0.923 0.000 +ATOM 28 CA ARG 16 2.147 -12.495 0.180 0.000 +ATOM 29 CB ARG 16 4.118 -10.393 1.083 0.000 +ATOM 30 CA PRO 17 0.435 -11.297 -2.995 0.000 +ATOM 31 CB PRO 17 0.012 -10.339 -2.151 0.000 +ATOM 32 CA PRO 18 2.570 -10.369 -5.998 0.000 +ATOM 33 CB PRO 18 1.672 -11.113 -6.669 0.000 +ATOM 34 CA PRO 19 2.908 -6.696 -6.912 0.000 +ATOM 35 CB PRO 19 3.700 -6.748 -5.826 0.000 +ATOM 36 CA SER 20 2.805 -5.807 -10.605 0.000 +ATOM 37 CB SER 20 2.019 -4.998 -10.829 0.000 +TER +CONECT 1 3 2 +CONECT 3 5 4 +CONECT 5 7 6 +CONECT 7 9 8 +CONECT 9 11 10 +CONECT 11 13 12 +CONECT 13 15 14 +CONECT 15 17 16 +CONECT 17 19 18 +CONECT 19 20 +CONECT 20 21 +CONECT 21 23 22 +CONECT 23 25 24 +CONECT 25 27 26 +CONECT 27 28 +CONECT 28 30 29 +CONECT 30 32 31 +CONECT 32 34 33 +CONECT 34 36 35 +CONECT 36 37 +ENDMDL diff --git a/examples/unres/CSA/GAB/CSA/local/1l2y_csa@024.pdb b/examples/unres/CSA/GAB/CSA/local/1l2y_csa@024.pdb new file mode 100644 index 0000000..1ea1a7c --- /dev/null +++ b/examples/unres/CSA/GAB/CSA/local/1l2y_csa@024.pdb @@ -0,0 +1,61 @@ +REMARK GM 24 e 1646163 m 4845 rms 2.31 %NC 53.3 ENERGY -9.08499E+01 +HELIX 1 H1 TYR 3 GLY 10 1 7 +ATOM 1 CA ASN 1 3.800 0.000 0.000 0.000 +ATOM 2 CB ASN 1 5.415 0.457 0.138 0.000 +ATOM 3 CA LEU 2 4.056 -3.791 0.000 0.000 +ATOM 4 CB LEU 2 3.503 -5.588 -0.478 0.000 +ATOM 5 CA TYR 3 6.087 -3.751 -3.211 0.000 +ATOM 6 CB TYR 3 5.991 -1.301 -3.612 0.000 +ATOM 7 CA ILE 4 9.312 -3.099 -1.310 0.000 +ATOM 8 CB ILE 4 9.983 -1.465 -1.132 0.000 +ATOM 9 CA GLN 5 8.388 -5.710 1.292 0.000 +ATOM 10 CB GLN 5 7.070 -4.369 2.510 0.000 +ATOM 11 CA TRP 6 7.266 -8.067 -1.470 0.000 +ATOM 12 CB TRP 6 5.618 -9.883 -2.347 0.000 +ATOM 13 CA LEU 7 10.313 -7.172 -3.558 0.000 +ATOM 14 CB LEU 7 9.085 -6.466 -4.883 0.000 +ATOM 15 CA LYS 8 12.595 -7.970 -0.627 0.000 +ATOM 16 CB LYS 8 11.711 -6.058 0.793 0.000 +ATOM 17 CA ASP 9 10.741 -11.213 0.072 0.000 +ATOM 18 CB ASP 9 9.402 -10.395 0.749 0.000 +ATOM 19 CA GLY 10 12.370 -12.830 -2.957 0.000 +ATOM 20 CA GLY 11 10.960 -10.843 -5.873 0.000 +ATOM 21 CA PRO 12 7.322 -11.900 -5.588 0.000 +ATOM 22 CB PRO 12 6.855 -10.799 -6.203 0.000 +ATOM 23 CA SER 13 8.228 -15.343 -4.259 0.000 +ATOM 24 CB SER 13 9.351 -15.509 -4.074 0.000 +ATOM 25 CA SER 14 7.286 -14.526 -0.669 0.000 +ATOM 26 CB SER 14 7.071 -13.411 -0.490 0.000 +ATOM 27 CA GLY 15 4.043 -15.703 0.923 0.000 +ATOM 28 CA ARG 16 2.147 -12.495 0.180 0.000 +ATOM 29 CB ARG 16 4.118 -10.393 1.083 0.000 +ATOM 30 CA PRO 17 0.436 -11.297 -2.994 0.000 +ATOM 31 CB PRO 17 0.013 -10.339 -2.151 0.000 +ATOM 32 CA PRO 18 2.570 -10.369 -5.998 0.000 +ATOM 33 CB PRO 18 1.672 -11.113 -6.668 0.000 +ATOM 34 CA PRO 19 2.908 -6.696 -6.912 0.000 +ATOM 35 CB PRO 19 3.701 -6.748 -5.826 0.000 +ATOM 36 CA SER 20 2.805 -5.807 -10.605 0.000 +ATOM 37 CB SER 20 2.020 -4.998 -10.829 0.000 +TER +CONECT 1 3 2 +CONECT 3 5 4 +CONECT 5 7 6 +CONECT 7 9 8 +CONECT 9 11 10 +CONECT 11 13 12 +CONECT 13 15 14 +CONECT 15 17 16 +CONECT 17 19 18 +CONECT 19 20 +CONECT 20 21 +CONECT 21 23 22 +CONECT 23 25 24 +CONECT 25 27 26 +CONECT 27 28 +CONECT 28 30 29 +CONECT 30 32 31 +CONECT 32 34 33 +CONECT 34 36 35 +CONECT 36 37 +ENDMDL diff --git a/examples/unres/CSA/GAB/CSA/local/1l2y_csa@025.pdb b/examples/unres/CSA/GAB/CSA/local/1l2y_csa@025.pdb new file mode 100644 index 0000000..a2248b8 --- /dev/null +++ b/examples/unres/CSA/GAB/CSA/local/1l2y_csa@025.pdb @@ -0,0 +1,61 @@ +REMARK GM 25 e 3743382 m 11325 rms 2.31 %NC 53.3 ENERGY -9.08499E+01 +HELIX 1 H1 TYR 3 GLY 10 1 7 +ATOM 1 CA ASN 1 3.800 0.000 0.000 0.000 +ATOM 2 CB ASN 1 5.415 0.458 0.139 0.000 +ATOM 3 CA LEU 2 4.056 -3.791 0.000 0.000 +ATOM 4 CB LEU 2 3.504 -5.588 -0.478 0.000 +ATOM 5 CA TYR 3 6.087 -3.751 -3.211 0.000 +ATOM 6 CB TYR 3 5.991 -1.301 -3.612 0.000 +ATOM 7 CA ILE 4 9.312 -3.099 -1.309 0.000 +ATOM 8 CB ILE 4 9.982 -1.463 -1.132 0.000 +ATOM 9 CA GLN 5 8.388 -5.710 1.292 0.000 +ATOM 10 CB GLN 5 7.071 -4.368 2.510 0.000 +ATOM 11 CA TRP 6 7.267 -8.066 -1.470 0.000 +ATOM 12 CB TRP 6 5.619 -9.883 -2.347 0.000 +ATOM 13 CA LEU 7 10.313 -7.171 -3.558 0.000 +ATOM 14 CB LEU 7 9.085 -6.466 -4.883 0.000 +ATOM 15 CA LYS 8 12.596 -7.969 -0.626 0.000 +ATOM 16 CB LYS 8 11.711 -6.056 0.793 0.000 +ATOM 17 CA ASP 9 10.742 -11.212 0.072 0.000 +ATOM 18 CB ASP 9 9.403 -10.394 0.749 0.000 +ATOM 19 CA GLY 10 12.372 -12.828 -2.956 0.000 +ATOM 20 CA GLY 11 10.962 -10.842 -5.873 0.000 +ATOM 21 CA PRO 12 7.323 -11.900 -5.588 0.000 +ATOM 22 CB PRO 12 6.856 -10.798 -6.203 0.000 +ATOM 23 CA SER 13 8.231 -15.342 -4.259 0.000 +ATOM 24 CB SER 13 9.353 -15.509 -4.073 0.000 +ATOM 25 CA SER 14 7.288 -14.526 -0.669 0.000 +ATOM 26 CB SER 14 7.073 -13.410 -0.490 0.000 +ATOM 27 CA GLY 15 4.045 -15.704 0.923 0.000 +ATOM 28 CA ARG 16 2.148 -12.496 0.180 0.000 +ATOM 29 CB ARG 16 4.119 -10.393 1.083 0.000 +ATOM 30 CA PRO 17 0.437 -11.298 -2.995 0.000 +ATOM 31 CB PRO 17 0.014 -10.340 -2.151 0.000 +ATOM 32 CA PRO 18 2.571 -10.370 -5.999 0.000 +ATOM 33 CB PRO 18 1.674 -11.114 -6.669 0.000 +ATOM 34 CA PRO 19 2.909 -6.696 -6.912 0.000 +ATOM 35 CB PRO 19 3.701 -6.749 -5.827 0.000 +ATOM 36 CA SER 20 2.806 -5.808 -10.605 0.000 +ATOM 37 CB SER 20 2.020 -4.998 -10.829 0.000 +TER +CONECT 1 3 2 +CONECT 3 5 4 +CONECT 5 7 6 +CONECT 7 9 8 +CONECT 9 11 10 +CONECT 11 13 12 +CONECT 13 15 14 +CONECT 15 17 16 +CONECT 17 19 18 +CONECT 19 20 +CONECT 20 21 +CONECT 21 23 22 +CONECT 23 25 24 +CONECT 25 27 26 +CONECT 27 28 +CONECT 28 30 29 +CONECT 30 32 31 +CONECT 32 34 33 +CONECT 34 36 35 +CONECT 36 37 +ENDMDL diff --git a/examples/unres/CSA/GAB/CSA/local/1l2y_csa@026.pdb b/examples/unres/CSA/GAB/CSA/local/1l2y_csa@026.pdb new file mode 100644 index 0000000..a3eb0ba --- /dev/null +++ b/examples/unres/CSA/GAB/CSA/local/1l2y_csa@026.pdb @@ -0,0 +1,61 @@ +REMARK GM 26 e 5992933 m 18731 rms 2.31 %NC 53.3 ENERGY -9.08499E+01 +HELIX 1 H1 TYR 3 GLY 10 1 7 +ATOM 1 CA ASN 1 3.800 0.000 0.000 0.000 +ATOM 2 CB ASN 1 5.415 0.458 0.139 0.000 +ATOM 3 CA LEU 2 4.056 -3.791 0.000 0.000 +ATOM 4 CB LEU 2 3.504 -5.588 -0.478 0.000 +ATOM 5 CA TYR 3 6.087 -3.751 -3.211 0.000 +ATOM 6 CB TYR 3 5.991 -1.301 -3.612 0.000 +ATOM 7 CA ILE 4 9.312 -3.099 -1.309 0.000 +ATOM 8 CB ILE 4 9.982 -1.463 -1.132 0.000 +ATOM 9 CA GLN 5 8.388 -5.710 1.292 0.000 +ATOM 10 CB GLN 5 7.071 -4.368 2.510 0.000 +ATOM 11 CA TRP 6 7.267 -8.066 -1.470 0.000 +ATOM 12 CB TRP 6 5.619 -9.883 -2.347 0.000 +ATOM 13 CA LEU 7 10.313 -7.171 -3.558 0.000 +ATOM 14 CB LEU 7 9.086 -6.466 -4.883 0.000 +ATOM 15 CA LYS 8 12.596 -7.969 -0.626 0.000 +ATOM 16 CB LYS 8 11.711 -6.056 0.793 0.000 +ATOM 17 CA ASP 9 10.742 -11.212 0.072 0.000 +ATOM 18 CB ASP 9 9.403 -10.394 0.749 0.000 +ATOM 19 CA GLY 10 12.372 -12.828 -2.956 0.000 +ATOM 20 CA GLY 11 10.962 -10.842 -5.872 0.000 +ATOM 21 CA PRO 12 7.323 -11.900 -5.588 0.000 +ATOM 22 CB PRO 12 6.856 -10.798 -6.202 0.000 +ATOM 23 CA SER 13 8.231 -15.342 -4.259 0.000 +ATOM 24 CB SER 13 9.353 -15.509 -4.073 0.000 +ATOM 25 CA SER 14 7.288 -14.526 -0.669 0.000 +ATOM 26 CB SER 14 7.073 -13.410 -0.490 0.000 +ATOM 27 CA GLY 15 4.045 -15.703 0.923 0.000 +ATOM 28 CA ARG 16 2.148 -12.496 0.180 0.000 +ATOM 29 CB ARG 16 4.119 -10.393 1.084 0.000 +ATOM 30 CA PRO 17 0.437 -11.298 -2.995 0.000 +ATOM 31 CB PRO 17 0.014 -10.340 -2.151 0.000 +ATOM 32 CA PRO 18 2.571 -10.370 -5.998 0.000 +ATOM 33 CB PRO 18 1.674 -11.114 -6.669 0.000 +ATOM 34 CA PRO 19 2.909 -6.696 -6.912 0.000 +ATOM 35 CB PRO 19 3.701 -6.749 -5.827 0.000 +ATOM 36 CA SER 20 2.806 -5.808 -10.605 0.000 +ATOM 37 CB SER 20 2.020 -4.998 -10.829 0.000 +TER +CONECT 1 3 2 +CONECT 3 5 4 +CONECT 5 7 6 +CONECT 7 9 8 +CONECT 9 11 10 +CONECT 11 13 12 +CONECT 13 15 14 +CONECT 15 17 16 +CONECT 17 19 18 +CONECT 19 20 +CONECT 20 21 +CONECT 21 23 22 +CONECT 23 25 24 +CONECT 25 27 26 +CONECT 27 28 +CONECT 28 30 29 +CONECT 30 32 31 +CONECT 32 34 33 +CONECT 34 36 35 +CONECT 36 37 +ENDMDL diff --git a/examples/unres/CSA/GAB/CSA/local/1l2y_csa@027.pdb b/examples/unres/CSA/GAB/CSA/local/1l2y_csa@027.pdb new file mode 100644 index 0000000..8e42586 --- /dev/null +++ b/examples/unres/CSA/GAB/CSA/local/1l2y_csa@027.pdb @@ -0,0 +1,61 @@ +REMARK GM 27 e 6135545 m 19193 rms 2.31 %NC 53.3 ENERGY -9.08499E+01 +HELIX 1 H1 TYR 3 GLY 10 1 7 +ATOM 1 CA ASN 1 3.800 0.000 0.000 0.000 +ATOM 2 CB ASN 1 5.415 0.458 0.140 0.000 +ATOM 3 CA LEU 2 4.056 -3.791 0.000 0.000 +ATOM 4 CB LEU 2 3.504 -5.588 -0.478 0.000 +ATOM 5 CA TYR 3 6.088 -3.751 -3.211 0.000 +ATOM 6 CB TYR 3 5.991 -1.301 -3.611 0.000 +ATOM 7 CA ILE 4 9.312 -3.098 -1.308 0.000 +ATOM 8 CB ILE 4 9.982 -1.463 -1.131 0.000 +ATOM 9 CA GLN 5 8.388 -5.709 1.293 0.000 +ATOM 10 CB GLN 5 7.070 -4.368 2.511 0.000 +ATOM 11 CA TRP 6 7.268 -8.066 -1.469 0.000 +ATOM 12 CB TRP 6 5.620 -9.883 -2.346 0.000 +ATOM 13 CA LEU 7 10.315 -7.170 -3.557 0.000 +ATOM 14 CB LEU 7 9.087 -6.465 -4.882 0.000 +ATOM 15 CA LYS 8 12.596 -7.968 -0.625 0.000 +ATOM 16 CB LYS 8 11.711 -6.055 0.795 0.000 +ATOM 17 CA ASP 9 10.743 -11.211 0.074 0.000 +ATOM 18 CB ASP 9 9.404 -10.393 0.750 0.000 +ATOM 19 CA GLY 10 12.374 -12.828 -2.954 0.000 +ATOM 20 CA GLY 11 10.964 -10.841 -5.871 0.000 +ATOM 21 CA PRO 12 7.325 -11.899 -5.587 0.000 +ATOM 22 CB PRO 12 6.858 -10.798 -6.202 0.000 +ATOM 23 CA SER 13 8.233 -15.342 -4.258 0.000 +ATOM 24 CB SER 13 9.355 -15.508 -4.072 0.000 +ATOM 25 CA SER 14 7.289 -14.525 -0.668 0.000 +ATOM 26 CB SER 14 7.074 -13.410 -0.489 0.000 +ATOM 27 CA GLY 15 4.046 -15.703 0.923 0.000 +ATOM 28 CA ARG 16 2.149 -12.496 0.179 0.000 +ATOM 29 CB ARG 16 4.119 -10.393 1.083 0.000 +ATOM 30 CA PRO 17 0.439 -11.298 -2.996 0.000 +ATOM 31 CB PRO 17 0.015 -10.340 -2.152 0.000 +ATOM 32 CA PRO 18 2.573 -10.370 -5.999 0.000 +ATOM 33 CB PRO 18 1.676 -11.114 -6.669 0.000 +ATOM 34 CA PRO 19 2.911 -6.697 -6.912 0.000 +ATOM 35 CB PRO 19 3.703 -6.749 -5.827 0.000 +ATOM 36 CA SER 20 2.809 -5.808 -10.606 0.000 +ATOM 37 CB SER 20 2.023 -4.998 -10.830 0.000 +TER +CONECT 1 3 2 +CONECT 3 5 4 +CONECT 5 7 6 +CONECT 7 9 8 +CONECT 9 11 10 +CONECT 11 13 12 +CONECT 13 15 14 +CONECT 15 17 16 +CONECT 17 19 18 +CONECT 19 20 +CONECT 20 21 +CONECT 21 23 22 +CONECT 23 25 24 +CONECT 25 27 26 +CONECT 27 28 +CONECT 28 30 29 +CONECT 30 32 31 +CONECT 32 34 33 +CONECT 34 36 35 +CONECT 36 37 +ENDMDL diff --git a/examples/unres/CSA/GAB/CSA/local/1l2y_csa_12541.int b/examples/unres/CSA/GAB/CSA/local/1l2y_csa_12541.int new file mode 100644 index 0000000..e2b548d --- /dev/null +++ b/examples/unres/CSA/GAB/CSA/local/1l2y_csa_12541.int @@ -0,0 +1,2600 @@ + 1 -88.891 0 + 115.7691 91.6028 92.0249 90.8358 89.7033 90.8448 90.7013 91.7452 + 90.5019 106.1439 99.9724 93.1703 93.8677 126.7641 95.4218 130.6276 + 120.7538 120.2275 117.9934 121.8913 + 172.3144 75.6868 43.5176 47.8653 43.2131 50.5375 44.2995 74.1585 + -63.9321 -69.1290 -27.1313 103.1692 91.4123 -85.9863 90.1801 -75.9663 + -116.5718 -136.4109 -118.7481 + 151.2865 137.1361 124.2445 144.9701 124.4649 156.4897 136.3448 106.6307 + 127.0193 180.0000 180.0000 135.5602 114.6448 122.0139 180.0000 140.0856 + 109.1324 109.6294 121.8199 121.5731 + -12.7112 -43.7726 122.4544 -95.0554 -108.3850 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-111.2554 -131.0142 -80.0671 + 200 -86.99 0 + 116.8812 91.4246 93.2356 92.0356 90.2645 90.7119 90.6755 92.1494 + 90.3845 103.9703 98.7033 92.8937 93.4375 121.5476 94.4785 129.0710 + 118.4267 119.3526 119.1820 120.0721 + 169.9012 79.2248 34.5392 50.6907 40.8706 50.6760 43.9596 74.9105 + -64.1737 -66.7875 -32.2962 102.6836 107.0903 -98.0349 76.6070 -67.4889 + -107.0230 -142.5203 -102.1329 + 145.0644 135.5655 172.3565 142.8295 114.7829 164.6882 137.4113 137.0766 + 133.5649 180.0000 180.0000 139.3932 113.6523 121.8142 180.0000 124.6979 + 111.1508 110.6187 124.3280 117.4593 + -10.7778 -26.8232 14.0704 -92.8875 -125.6085 30.6836 -173.1294 -130.6593 + -134.2317 180.0000 180.0000 -167.6759 -78.0328 -135.8131 180.0000 -93.8728 + -116.0642 -111.1274 -130.8934 -79.8760 diff --git a/examples/unres/CSA/GAB/CSA/local/1l2y_csa_GB000.mol2 b/examples/unres/CSA/GAB/CSA/local/1l2y_csa_GB000.mol2 new file mode 100644 index 0000000..e69de29 diff --git a/examples/unres/CSA/GAB/CSA/local/1l2y_csa_GB000.pdb b/examples/unres/CSA/GAB/CSA/local/1l2y_csa_GB000.pdb new file mode 100644 index 0000000..e69de29 diff --git a/examples/unres/CSA/GAB/CSA/local/1l2y_csa_GB000.stat b/examples/unres/CSA/GAB/CSA/local/1l2y_csa_GB000.stat new file mode 100644 index 0000000..e69de29 diff --git a/examples/unres/CSA/GAB/CSA/local/pdb2int/1l2y.pdb b/examples/unres/CSA/GAB/CSA/local/pdb2int/1l2y.pdb new file mode 100644 index 0000000..5ab80f1 --- /dev/null +++ b/examples/unres/CSA/GAB/CSA/local/pdb2int/1l2y.pdb @@ -0,0 +1,23623 @@ +HEADER DE NOVO PROTEIN 25-FEB-02 1L2Y +TITLE NMR STRUCTURE OF TRP-CAGE MINIPROTEIN CONSTRUCT TC5B +COMPND MOL_ID: 1; +COMPND 2 MOLECULE: TC5B; +COMPND 3 CHAIN: A; +COMPND 4 ENGINEERED: YES +SOURCE MOL_ID: 1; +SOURCE 2 SYNTHETIC: YES; +SOURCE 3 OTHER_DETAILS: THE PROTEIN WAS SYNTHESIZED USING STANDARD +SOURCE 4 FMOC SOLID-PHASE SYNTHESIS METHODS ON AN APPLIED +SOURCE 5 BIOSYSTEMS 433A PEPTIDE SYNTHESIZER. +KEYWDS MINIPROTEIN, TWO-STATE FOLDING, TRP-CAGE, DE NOVO PROTEIN +EXPDTA SOLUTION NMR +NUMMDL 38 +AUTHOR J.W.NEIDIGH,R.M.FESINMEYER,N.H.ANDERSEN +REVDAT 2 24-FEB-09 1L2Y 1 VERSN +REVDAT 1 29-MAY-02 1L2Y 0 +JRNL AUTH J.W.NEIDIGH,R.M.FESINMEYER,N.H.ANDERSEN +JRNL TITL DESIGNING A 20-RESIDUE PROTEIN. +JRNL REF NAT.STRUCT.BIOL. V. 9 425 2002 +JRNL REFN ISSN 1072-8368 +JRNL PMID 11979279 +JRNL DOI 10.1038/NSB798 +REMARK 1 +REMARK 2 +REMARK 2 RESOLUTION. NOT APPLICABLE. +REMARK 3 +REMARK 3 REFINEMENT. +REMARK 3 PROGRAM : AMBER 6.0 +REMARK 3 AUTHORS : KOLLMAN +REMARK 3 +REMARK 3 OTHER REFINEMENT REMARKS: 169 NOE DISTANCE CONSTRAINTS WERE +REMARK 3 EMPLOYED. CNS WAS EMPLOYED FOR S.A., FOLLOWED BY MINIMIZATION +REMARK 3 USING THE SANDER MODULE OF AMBER. +REMARK 4 +REMARK 4 1L2Y COMPLIES WITH FORMAT V. 3.15, 01-DEC-08 +REMARK 100 +REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY RCSB ON 28-FEB-02. +REMARK 100 THE RCSB ID CODE IS RCSB015598. +REMARK 210 +REMARK 210 EXPERIMENTAL DETAILS +REMARK 210 EXPERIMENT TYPE : NMR +REMARK 210 TEMPERATURE (KELVIN) : 282 +REMARK 210 PH : 7 +REMARK 210 IONIC STRENGTH : NULL +REMARK 210 PRESSURE : AMBIENT +REMARK 210 SAMPLE CONTENTS : 1.0-1.8 MM TC5B +REMARK 210 +REMARK 210 NMR EXPERIMENTS CONDUCTED : 2D NOESY +REMARK 210 SPECTROMETER FIELD STRENGTH : 500 MHZ +REMARK 210 SPECTROMETER MODEL : DRX +REMARK 210 SPECTROMETER MANUFACTURER : BRUKER +REMARK 210 +REMARK 210 STRUCTURE DETERMINATION. +REMARK 210 SOFTWARE USED : XWINNMR 2.6, FELIX 95, CNS +REMARK 210 1.0, AMBER 6.0 +REMARK 210 METHOD USED : SIMULATED ANNEALING FROM +REMARK 210 RANDOM STRUCTURES FOLLOWED BY +REMARK 210 STEEPEST DESCENT MINIMIZATION +REMARK 210 +REMARK 210 CONFORMERS, NUMBER CALCULATED : 50 +REMARK 210 CONFORMERS, NUMBER SUBMITTED : 38 +REMARK 210 CONFORMERS, SELECTION CRITERIA : STRUCTURES WITH ACCEPTABLE +REMARK 210 COVALENT GEOMETRY, STRUCTURES +REMARK 210 WITH THE LEAST RESTRAINT +REMARK 210 VIOLATIONS +REMARK 210 +REMARK 210 BEST REPRESENTATIVE CONFORMER IN THIS ENSEMBLE : NULL +REMARK 210 +REMARK 210 REMARK: THIS STRUCTURE WAS DETERMINED USING STANDARD 2D +REMARK 210 HOMONUCLEAR TECHNIQUES. +REMARK 215 +REMARK 215 NMR STUDY +REMARK 215 THE COORDINATES IN THIS ENTRY WERE GENERATED FROM SOLUTION +REMARK 215 NMR DATA. PROTEIN DATA BANK CONVENTIONS REQUIRE THAT +REMARK 215 CRYST1 AND SCALE RECORDS BE INCLUDED, BUT THE VALUES ON +REMARK 215 THESE RECORDS ARE MEANINGLESS. +REMARK 500 +REMARK 500 GEOMETRY AND STEREOCHEMISTRY +REMARK 500 SUBTOPIC: COVALENT BOND ANGLES +REMARK 500 +REMARK 500 THE STEREOCHEMICAL PARAMETERS OF THE FOLLOWING RESIDUES +REMARK 500 HAVE VALUES WHICH DEVIATE FROM EXPECTED VALUES BY MORE +REMARK 500 THAN 6*RMSD (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN +REMARK 500 IDENTIFIER; SSEQ=SEQUENCE NUMBER; I=INSERTION CODE). +REMARK 500 +REMARK 500 STANDARD TABLE: +REMARK 500 FORMAT: (10X,I3,1X,A3,1X,A1,I4,A1,3(1X,A4,2X),12X,F5.1) +REMARK 500 +REMARK 500 EXPECTED VALUES PROTEIN: ENGH AND HUBER, 1999 +REMARK 500 EXPECTED VALUES NUCLEIC ACID: CLOWNEY ET AL 1996 +REMARK 500 +REMARK 500 M RES CSSEQI ATM1 ATM2 ATM3 +REMARK 500 2 ARG A 16 NE - CZ - NH1 ANGL. DEV. = 3.6 DEGREES +REMARK 500 13 ARG A 16 NE - CZ - NH1 ANGL. DEV. = 4.7 DEGREES +REMARK 500 +REMARK 500 REMARK: NULL +REMARK 500 +REMARK 500 GEOMETRY AND STEREOCHEMISTRY +REMARK 500 SUBTOPIC: TORSION ANGLES +REMARK 500 +REMARK 500 TORSION ANGLES OUTSIDE THE EXPECTED RAMACHANDRAN REGIONS: +REMARK 500 (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN IDENTIFIER; +REMARK 500 SSEQ=SEQUENCE NUMBER; I=INSERTION CODE). +REMARK 500 +REMARK 500 STANDARD TABLE: +REMARK 500 FORMAT:(10X,I3,1X,A3,1X,A1,I4,A1,4X,F7.2,3X,F7.2) +REMARK 500 +REMARK 500 EXPECTED VALUES: GJ KLEYWEGT AND TA JONES (1996). PHI/PSI- +REMARK 500 CHOLOGY: RAMACHANDRAN REVISITED. STRUCTURE 4, 1395 - 1400 +REMARK 500 +REMARK 500 M RES CSSEQI PSI PHI +REMARK 500 5 LEU A 2 -34.83 72.95 +REMARK 500 6 LEU A 2 -33.93 63.45 +REMARK 500 9 LEU A 2 -18.34 57.13 +REMARK 500 13 LEU A 2 -33.72 66.32 +REMARK 500 18 LEU A 2 -3.11 60.50 +REMARK 500 19 LEU A 2 -1.16 58.98 +REMARK 500 20 LEU A 2 -32.96 68.39 +REMARK 500 23 LEU A 2 -47.12 63.92 +REMARK 500 28 LEU A 2 -2.46 61.26 +REMARK 500 29 LEU A 2 -42.02 66.43 +REMARK 500 34 PRO A 12 11.15 -66.86 +REMARK 500 +REMARK 500 REMARK: NULL +REMARK 900 +REMARK 900 RELATED ENTRIES +REMARK 900 RELATED ID: 5292 RELATED DB: BMRB +REMARK 900 BMRB 5292 IS CHEMICAL SHIFTS FOR TC5B IN BUFFER AND BUFFER +REMARK 900 CONTAINING 30 VOL-% TFE. +REMARK 900 RELATED ID: 1JRJ RELATED DB: PDB +REMARK 900 1JRJ IS AN ANALAGOUS C-TERMINAL STRUCTURE. +DBREF 1L2Y A 1 20 PDB 1L2Y 1L2Y 1 20 +SEQRES 1 A 20 ASN LEU TYR ILE GLN TRP LEU LYS ASP GLY GLY PRO SER +SEQRES 2 A 20 SER GLY ARG PRO PRO PRO SER +HELIX 1 1 ASN A 1 ASP A 9 1 9 +HELIX 2 2 GLY A 10 GLY A 15 5 6 +CRYST1 1.000 1.000 1.000 90.00 90.00 90.00 P 1 1 +ORIGX1 1.000000 0.000000 0.000000 0.00000 +ORIGX2 0.000000 1.000000 0.000000 0.00000 +ORIGX3 0.000000 0.000000 1.000000 0.00000 +SCALE1 1.000000 0.000000 0.000000 0.00000 +SCALE2 0.000000 1.000000 0.000000 0.00000 +SCALE3 0.000000 0.000000 1.000000 0.00000 +MODEL 1 +ATOM 1 N ASN A 1 -8.901 4.127 -0.555 1.00 0.00 N +ATOM 2 CA ASN A 1 -8.608 3.135 -1.618 1.00 0.00 C +ATOM 3 C ASN A 1 -7.117 2.964 -1.897 1.00 0.00 C +ATOM 4 O ASN A 1 -6.634 1.849 -1.758 1.00 0.00 O +ATOM 5 CB ASN A 1 -9.437 3.396 -2.889 1.00 0.00 C +ATOM 6 CG ASN A 1 -10.915 3.130 -2.611 1.00 0.00 C +ATOM 7 OD1 ASN A 1 -11.269 2.700 -1.524 1.00 0.00 O +ATOM 8 ND2 ASN A 1 -11.806 3.406 -3.543 1.00 0.00 N +ATOM 9 H1 ASN A 1 -8.330 3.957 0.261 1.00 0.00 H +ATOM 10 H2 ASN A 1 -8.740 5.068 -0.889 1.00 0.00 H +ATOM 11 H3 ASN A 1 -9.877 4.041 -0.293 1.00 0.00 H +ATOM 12 HA ASN A 1 -8.930 2.162 -1.239 1.00 0.00 H +ATOM 13 HB2 ASN A 1 -9.310 4.417 -3.193 1.00 0.00 H +ATOM 14 HB3 ASN A 1 -9.108 2.719 -3.679 1.00 0.00 H +ATOM 15 HD21 ASN A 1 -11.572 3.791 -4.444 1.00 0.00 H +ATOM 16 HD22 ASN A 1 -12.757 3.183 -3.294 1.00 0.00 H +ATOM 17 N LEU A 2 -6.379 4.031 -2.228 1.00 0.00 N +ATOM 18 CA LEU A 2 -4.923 4.002 -2.452 1.00 0.00 C +ATOM 19 C LEU A 2 -4.136 3.187 -1.404 1.00 0.00 C +ATOM 20 O LEU A 2 -3.391 2.274 -1.760 1.00 0.00 O +ATOM 21 CB LEU A 2 -4.411 5.450 -2.619 1.00 0.00 C +ATOM 22 CG LEU A 2 -4.795 6.450 -1.495 1.00 0.00 C +ATOM 23 CD1 LEU A 2 -3.612 6.803 -0.599 1.00 0.00 C +ATOM 24 CD2 LEU A 2 -5.351 7.748 -2.084 1.00 0.00 C +ATOM 25 H LEU A 2 -6.821 4.923 -2.394 1.00 0.00 H +ATOM 26 HA LEU A 2 -4.750 3.494 -3.403 1.00 0.00 H +ATOM 27 HB2 LEU A 2 -3.340 5.414 -2.672 1.00 0.00 H +ATOM 28 HB3 LEU A 2 -4.813 5.817 -3.564 1.00 0.00 H +ATOM 29 HG LEU A 2 -5.568 6.022 -0.858 1.00 0.00 H +ATOM 30 HD11 LEU A 2 -3.207 5.905 -0.146 1.00 0.00 H +ATOM 31 HD12 LEU A 2 -2.841 7.304 -1.183 1.00 0.00 H +ATOM 32 HD13 LEU A 2 -3.929 7.477 0.197 1.00 0.00 H +ATOM 33 HD21 LEU A 2 -4.607 8.209 -2.736 1.00 0.00 H +ATOM 34 HD22 LEU A 2 -6.255 7.544 -2.657 1.00 0.00 H +ATOM 35 HD23 LEU A 2 -5.592 8.445 -1.281 1.00 0.00 H +ATOM 36 N TYR A 3 -4.354 3.455 -0.111 1.00 0.00 N +ATOM 37 CA TYR A 3 -3.690 2.738 0.981 1.00 0.00 C +ATOM 38 C TYR A 3 -4.102 1.256 1.074 1.00 0.00 C +ATOM 39 O TYR A 3 -3.291 0.409 1.442 1.00 0.00 O +ATOM 40 CB TYR A 3 -3.964 3.472 2.302 1.00 0.00 C +ATOM 41 CG TYR A 3 -2.824 3.339 3.290 1.00 0.00 C +ATOM 42 CD1 TYR A 3 -2.746 2.217 4.138 1.00 0.00 C +ATOM 43 CD2 TYR A 3 -1.820 4.326 3.332 1.00 0.00 C +ATOM 44 CE1 TYR A 3 -1.657 2.076 5.018 1.00 0.00 C +ATOM 45 CE2 TYR A 3 -0.725 4.185 4.205 1.00 0.00 C +ATOM 46 CZ TYR A 3 -0.639 3.053 5.043 1.00 0.00 C +ATOM 47 OH TYR A 3 0.433 2.881 5.861 1.00 0.00 O +ATOM 48 H TYR A 3 -4.934 4.245 0.120 1.00 0.00 H +ATOM 49 HA TYR A 3 -2.615 2.768 0.796 1.00 0.00 H +ATOM 50 HB2 TYR A 3 -4.117 4.513 2.091 1.00 0.00 H +ATOM 51 HB3 TYR A 3 -4.886 3.096 2.750 1.00 0.00 H +ATOM 52 HD1 TYR A 3 -3.513 1.456 4.101 1.00 0.00 H +ATOM 53 HD2 TYR A 3 -1.877 5.200 2.695 1.00 0.00 H +ATOM 54 HE1 TYR A 3 -1.576 1.221 5.669 1.00 0.00 H +ATOM 55 HE2 TYR A 3 0.033 4.952 4.233 1.00 0.00 H +ATOM 56 HH TYR A 3 1.187 3.395 5.567 1.00 0.00 H +ATOM 57 N ILE A 4 -5.342 0.925 0.689 1.00 0.00 N +ATOM 58 CA ILE A 4 -5.857 -0.449 0.613 1.00 0.00 C +ATOM 59 C ILE A 4 -5.089 -1.221 -0.470 1.00 0.00 C +ATOM 60 O ILE A 4 -4.621 -2.334 -0.226 1.00 0.00 O +ATOM 61 CB ILE A 4 -7.386 -0.466 0.343 1.00 0.00 C +ATOM 62 CG1 ILE A 4 -8.197 0.540 1.197 1.00 0.00 C +ATOM 63 CG2 ILE A 4 -7.959 -1.884 0.501 1.00 0.00 C +ATOM 64 CD1 ILE A 4 -8.019 0.412 2.715 1.00 0.00 C +ATOM 65 H ILE A 4 -5.906 1.656 0.283 1.00 0.00 H +ATOM 66 HA ILE A 4 -5.670 -0.941 1.568 1.00 0.00 H +ATOM 67 HB ILE A 4 -7.554 -0.192 -0.697 1.00 0.00 H +ATOM 68 HG12 ILE A 4 -7.900 1.531 0.912 1.00 0.00 H +ATOM 69 HG13 ILE A 4 -9.257 0.424 0.964 1.00 0.00 H +ATOM 70 HG21 ILE A 4 -7.509 -2.555 -0.232 1.00 0.00 H +ATOM 71 HG22 ILE A 4 -7.759 -2.271 1.501 1.00 0.00 H +ATOM 72 HG23 ILE A 4 -9.036 -1.871 0.332 1.00 0.00 H +ATOM 73 HD11 ILE A 4 -8.306 -0.585 3.049 1.00 0.00 H +ATOM 74 HD12 ILE A 4 -6.983 0.606 2.995 1.00 0.00 H +ATOM 75 HD13 ILE A 4 -8.656 1.144 3.213 1.00 0.00 H +ATOM 76 N GLN A 5 -4.907 -0.601 -1.645 1.00 0.00 N +ATOM 77 CA GLN A 5 -4.122 -1.167 -2.743 1.00 0.00 C +ATOM 78 C GLN A 5 -2.629 -1.321 -2.390 1.00 0.00 C +ATOM 79 O GLN A 5 -1.986 -2.240 -2.884 1.00 0.00 O +ATOM 80 CB GLN A 5 -4.292 -0.313 -4.013 1.00 0.00 C +ATOM 81 CG GLN A 5 -4.244 -1.171 -5.290 1.00 0.00 C +ATOM 82 CD GLN A 5 -5.576 -1.860 -5.585 1.00 0.00 C +ATOM 83 OE1 GLN A 5 -5.769 -3.044 -5.335 1.00 0.00 O +ATOM 84 NE2 GLN A 5 -6.532 -1.146 -6.152 1.00 0.00 N +ATOM 85 H GLN A 5 -5.327 0.318 -1.763 1.00 0.00 H +ATOM 86 HA GLN A 5 -4.517 -2.162 -2.940 1.00 0.00 H +ATOM 87 HB2 GLN A 5 -5.238 0.191 -3.969 1.00 0.00 H +ATOM 88 HB3 GLN A 5 -3.492 0.429 -4.053 1.00 0.00 H +ATOM 89 HG2 GLN A 5 -3.993 -0.539 -6.120 1.00 0.00 H +ATOM 90 HG3 GLN A 5 -3.458 -1.923 -5.205 1.00 0.00 H +ATOM 91 HE21 GLN A 5 -6.389 -0.184 -6.408 1.00 0.00 H +ATOM 92 HE22 GLN A 5 -7.392 -1.635 -6.335 1.00 0.00 H +ATOM 93 N TRP A 6 -2.074 -0.459 -1.528 1.00 0.00 N +ATOM 94 CA TRP A 6 -0.716 -0.631 -0.993 1.00 0.00 C +ATOM 95 C TRP A 6 -0.631 -1.766 0.044 1.00 0.00 C +ATOM 96 O TRP A 6 0.295 -2.579 -0.004 1.00 0.00 O +ATOM 97 CB TRP A 6 -0.221 0.703 -0.417 1.00 0.00 C +ATOM 98 CG TRP A 6 1.148 0.652 0.194 1.00 0.00 C +ATOM 99 CD1 TRP A 6 2.319 0.664 -0.482 1.00 0.00 C +ATOM 100 CD2 TRP A 6 1.508 0.564 1.606 1.00 0.00 C +ATOM 101 NE1 TRP A 6 3.371 0.560 0.411 1.00 0.00 N +ATOM 102 CE2 TRP A 6 2.928 0.515 1.710 1.00 0.00 C +ATOM 103 CE3 TRP A 6 0.779 0.524 2.812 1.00 0.00 C +ATOM 104 CZ2 TRP A 6 3.599 0.445 2.938 1.00 0.00 C +ATOM 105 CZ3 TRP A 6 1.439 0.433 4.053 1.00 0.00 C +ATOM 106 CH2 TRP A 6 2.842 0.407 4.120 1.00 0.00 C +ATOM 107 H TRP A 6 -2.624 0.343 -1.242 1.00 0.00 H +ATOM 108 HA TRP A 6 -0.052 -0.908 -1.813 1.00 0.00 H +ATOM 109 HB2 TRP A 6 -0.206 1.425 -1.211 1.00 0.00 H +ATOM 110 HB3 TRP A 6 -0.921 1.044 0.344 1.00 0.00 H +ATOM 111 HD1 TRP A 6 2.412 0.733 -1.558 1.00 0.00 H +ATOM 112 HE1 TRP A 6 4.360 0.536 0.156 1.00 0.00 H +ATOM 113 HE3 TRP A 6 -0.299 0.571 2.773 1.00 0.00 H +ATOM 114 HZ2 TRP A 6 4.679 0.418 2.961 1.00 0.00 H +ATOM 115 HZ3 TRP A 6 0.862 0.400 4.966 1.00 0.00 H +ATOM 116 HH2 TRP A 6 3.334 0.360 5.081 1.00 0.00 H +ATOM 117 N LEU A 7 -1.600 -1.860 0.967 1.00 0.00 N +ATOM 118 CA LEU A 7 -1.641 -2.932 1.963 1.00 0.00 C +ATOM 119 C LEU A 7 -1.847 -4.319 1.342 1.00 0.00 C +ATOM 120 O LEU A 7 -1.144 -5.248 1.742 1.00 0.00 O +ATOM 121 CB LEU A 7 -2.710 -2.645 3.033 1.00 0.00 C +ATOM 122 CG LEU A 7 -2.301 -1.579 4.069 1.00 0.00 C +ATOM 123 CD1 LEU A 7 -3.475 -1.323 5.018 1.00 0.00 C +ATOM 124 CD2 LEU A 7 -1.093 -2.007 4.914 1.00 0.00 C +ATOM 125 H LEU A 7 -2.316 -1.137 0.994 1.00 0.00 H +ATOM 126 HA LEU A 7 -0.666 -2.978 2.445 1.00 0.00 H +ATOM 127 HB2 LEU A 7 -3.600 -2.308 2.537 1.00 0.00 H +ATOM 128 HB3 LEU A 7 -2.921 -3.571 3.572 1.00 0.00 H +ATOM 129 HG LEU A 7 -2.061 -0.649 3.560 1.00 0.00 H +ATOM 130 HD11 LEU A 7 -4.343 -0.992 4.449 1.00 0.00 H +ATOM 131 HD12 LEU A 7 -3.725 -2.237 5.560 1.00 0.00 H +ATOM 132 HD13 LEU A 7 -3.211 -0.549 5.739 1.00 0.00 H +ATOM 133 HD21 LEU A 7 -1.270 -2.989 5.354 1.00 0.00 H +ATOM 134 HD22 LEU A 7 -0.195 -2.045 4.300 1.00 0.00 H +ATOM 135 HD23 LEU A 7 -0.922 -1.286 5.712 1.00 0.00 H +ATOM 136 N LYS A 8 -2.753 -4.481 0.360 1.00 0.00 N +ATOM 137 CA LYS A 8 -3.024 -5.791 -0.269 1.00 0.00 C +ATOM 138 C LYS A 8 -1.796 -6.427 -0.937 1.00 0.00 C +ATOM 139 O LYS A 8 -1.719 -7.648 -1.030 1.00 0.00 O +ATOM 140 CB LYS A 8 -4.224 -5.697 -1.232 1.00 0.00 C +ATOM 141 CG LYS A 8 -3.930 -5.009 -2.577 1.00 0.00 C +ATOM 142 CD LYS A 8 -3.682 -5.986 -3.736 1.00 0.00 C +ATOM 143 CE LYS A 8 -3.494 -5.199 -5.039 1.00 0.00 C +ATOM 144 NZ LYS A 8 -4.563 -5.483 -6.023 1.00 0.00 N +ATOM 145 H LYS A 8 -3.321 -3.675 0.097 1.00 0.00 H +ATOM 146 HA LYS A 8 -3.309 -6.478 0.529 1.00 0.00 H +ATOM 147 HB2 LYS A 8 -4.565 -6.694 -1.436 1.00 0.00 H +ATOM 148 HB3 LYS A 8 -5.019 -5.143 -0.731 1.00 0.00 H +ATOM 149 HG2 LYS A 8 -4.769 -4.390 -2.830 1.00 0.00 H +ATOM 150 HG3 LYS A 8 -3.062 -4.368 -2.469 1.00 0.00 H +ATOM 151 HD2 LYS A 8 -2.799 -6.562 -3.536 1.00 0.00 H +ATOM 152 HD3 LYS A 8 -4.524 -6.674 -3.818 1.00 0.00 H +ATOM 153 HE2 LYS A 8 -3.502 -4.150 -4.813 1.00 0.00 H +ATOM 154 HE3 LYS A 8 -2.511 -5.439 -5.457 1.00 0.00 H +ATOM 155 HZ1 LYS A 8 -4.621 -6.474 -6.211 1.00 0.00 H +ATOM 156 HZ2 LYS A 8 -5.442 -5.124 -5.657 1.00 0.00 H +ATOM 157 HZ3 LYS A 8 -4.382 -4.983 -6.881 1.00 0.00 H +ATOM 158 N ASP A 9 -0.828 -5.607 -1.355 1.00 0.00 N +ATOM 159 CA ASP A 9 0.466 -6.016 -1.905 1.00 0.00 C +ATOM 160 C ASP A 9 1.481 -6.464 -0.832 1.00 0.00 C +ATOM 161 O ASP A 9 2.545 -6.971 -1.194 1.00 0.00 O +ATOM 162 CB ASP A 9 1.033 -4.839 -2.724 1.00 0.00 C +ATOM 163 CG ASP A 9 0.672 -4.906 -4.210 1.00 0.00 C +ATOM 164 OD1 ASP A 9 -0.532 -5.051 -4.522 1.00 0.00 O +ATOM 165 OD2 ASP A 9 1.627 -4.815 -5.017 1.00 0.00 O +ATOM 166 H ASP A 9 -1.010 -4.616 -1.291 1.00 0.00 H +ATOM 167 HA ASP A 9 0.319 -6.867 -2.574 1.00 0.00 H +ATOM 168 HB2 ASP A 9 0.644 -3.924 -2.320 1.00 0.00 H +ATOM 169 HB3 ASP A 9 2.116 -4.837 -2.650 1.00 0.00 H +ATOM 170 N GLY A 10 1.185 -6.278 0.464 1.00 0.00 N +ATOM 171 CA GLY A 10 2.060 -6.618 1.593 1.00 0.00 C +ATOM 172 C GLY A 10 2.628 -5.412 2.353 1.00 0.00 C +ATOM 173 O GLY A 10 3.496 -5.594 3.208 1.00 0.00 O +ATOM 174 H GLY A 10 0.265 -5.908 0.693 1.00 0.00 H +ATOM 175 HA2 GLY A 10 1.486 -7.214 2.304 1.00 0.00 H +ATOM 176 HA3 GLY A 10 2.897 -7.228 1.252 1.00 0.00 H +ATOM 177 N GLY A 11 2.172 -4.187 2.055 1.00 0.00 N +ATOM 178 CA GLY A 11 2.626 -2.967 2.723 1.00 0.00 C +ATOM 179 C GLY A 11 4.157 -2.802 2.654 1.00 0.00 C +ATOM 180 O GLY A 11 4.710 -2.829 1.551 1.00 0.00 O +ATOM 181 H GLY A 11 1.481 -4.089 1.319 1.00 0.00 H +ATOM 182 HA2 GLY A 11 2.164 -2.109 2.237 1.00 0.00 H +ATOM 183 HA3 GLY A 11 2.280 -2.997 3.753 1.00 0.00 H +ATOM 184 N PRO A 12 4.871 -2.651 3.794 1.00 0.00 N +ATOM 185 CA PRO A 12 6.333 -2.533 3.806 1.00 0.00 C +ATOM 186 C PRO A 12 7.058 -3.729 3.165 1.00 0.00 C +ATOM 187 O PRO A 12 8.139 -3.562 2.601 1.00 0.00 O +ATOM 188 CB PRO A 12 6.740 -2.387 5.279 1.00 0.00 C +ATOM 189 CG PRO A 12 5.460 -1.952 5.987 1.00 0.00 C +ATOM 190 CD PRO A 12 4.362 -2.615 5.160 1.00 0.00 C +ATOM 191 HA PRO A 12 6.611 -1.626 3.267 1.00 0.00 H +ATOM 192 HB2 PRO A 12 7.091 -3.323 5.670 1.00 0.00 H +ATOM 193 HB3 PRO A 12 7.531 -1.647 5.403 1.00 0.00 H +ATOM 194 HG2 PRO A 12 5.443 -2.302 7.001 1.00 0.00 H +ATOM 195 HG3 PRO A 12 5.358 -0.867 5.929 1.00 0.00 H +ATOM 196 HD2 PRO A 12 4.173 -3.609 5.516 1.00 0.00 H +ATOM 197 HD3 PRO A 12 3.440 -2.042 5.246 1.00 0.00 H +ATOM 198 N SER A 13 6.463 -4.929 3.205 1.00 0.00 N +ATOM 199 CA SER A 13 7.049 -6.179 2.704 1.00 0.00 C +ATOM 200 C SER A 13 6.897 -6.369 1.185 1.00 0.00 C +ATOM 201 O SER A 13 7.025 -7.488 0.697 1.00 0.00 O +ATOM 202 CB SER A 13 6.458 -7.371 3.472 1.00 0.00 C +ATOM 203 OG SER A 13 6.763 -7.264 4.850 1.00 0.00 O +ATOM 204 H SER A 13 5.535 -4.999 3.613 1.00 0.00 H +ATOM 205 HA SER A 13 8.121 -6.159 2.903 1.00 0.00 H +ATOM 206 HB2 SER A 13 5.393 -7.382 3.344 1.00 0.00 H +ATOM 207 HB3 SER A 13 6.880 -8.302 3.093 1.00 0.00 H +ATOM 208 HG SER A 13 7.707 -7.394 4.970 1.00 0.00 H +ATOM 209 N SER A 14 6.637 -5.290 0.434 1.00 0.00 N +ATOM 210 CA SER A 14 6.389 -5.315 -1.015 1.00 0.00 C +ATOM 211 C SER A 14 7.332 -4.405 -1.823 1.00 0.00 C +ATOM 212 O SER A 14 7.082 -4.123 -2.993 1.00 0.00 O +ATOM 213 CB SER A 14 4.914 -4.993 -1.265 1.00 0.00 C +ATOM 214 OG SER A 14 4.431 -5.743 -2.358 1.00 0.00 O +ATOM 215 H SER A 14 6.509 -4.415 0.930 1.00 0.00 H +ATOM 216 HA SER A 14 6.562 -6.329 -1.378 1.00 0.00 H +ATOM 217 HB2 SER A 14 4.344 -5.236 -0.389 1.00 0.00 H +ATOM 218 HB3 SER A 14 4.778 -3.934 -1.457 1.00 0.00 H +ATOM 219 HG SER A 14 3.714 -6.324 -1.987 1.00 0.00 H +ATOM 220 N GLY A 15 8.419 -3.920 -1.202 1.00 0.00 N +ATOM 221 CA GLY A 15 9.451 -3.116 -1.870 1.00 0.00 C +ATOM 222 C GLY A 15 8.984 -1.725 -2.316 1.00 0.00 C +ATOM 223 O GLY A 15 9.539 -1.177 -3.267 1.00 0.00 O +ATOM 224 H GLY A 15 8.573 -4.210 -0.246 1.00 0.00 H +ATOM 225 HA2 GLY A 15 10.297 -2.987 -1.194 1.00 0.00 H +ATOM 226 HA3 GLY A 15 9.805 -3.652 -2.752 1.00 0.00 H +ATOM 227 N ARG A 16 7.956 -1.164 -1.660 1.00 0.00 N +ATOM 228 CA ARG A 16 7.289 0.084 -2.054 1.00 0.00 C +ATOM 229 C ARG A 16 6.855 0.916 -0.829 1.00 0.00 C +ATOM 230 O ARG A 16 6.222 0.366 0.076 1.00 0.00 O +ATOM 231 CB ARG A 16 6.110 -0.243 -2.994 1.00 0.00 C +ATOM 232 CG ARG A 16 5.046 -1.171 -2.378 1.00 0.00 C +ATOM 233 CD ARG A 16 3.923 -1.592 -3.338 1.00 0.00 C +ATOM 234 NE ARG A 16 4.251 -2.811 -4.100 1.00 0.00 N +ATOM 235 CZ ARG A 16 4.859 -2.914 -5.274 1.00 0.00 C +ATOM 236 NH1 ARG A 16 5.289 -1.864 -5.937 1.00 0.00 N +ATOM 237 NH2 ARG A 16 5.035 -4.095 -5.809 1.00 0.00 N +ATOM 238 H ARG A 16 7.579 -1.676 -0.874 1.00 0.00 H +ATOM 239 HA ARG A 16 8.009 0.663 -2.630 1.00 0.00 H +ATOM 240 HB2 ARG A 16 5.634 0.678 -3.269 1.00 0.00 H +ATOM 241 HB3 ARG A 16 6.524 -0.720 -3.880 1.00 0.00 H +ATOM 242 HG2 ARG A 16 5.538 -2.059 -2.031 1.00 0.00 H +ATOM 243 HG3 ARG A 16 4.579 -0.652 -1.549 1.00 0.00 H +ATOM 244 HD2 ARG A 16 3.033 -1.774 -2.766 1.00 0.00 H +ATOM 245 HD3 ARG A 16 3.669 -0.765 -4.003 1.00 0.00 H +ATOM 246 HE ARG A 16 3.963 -3.694 -3.698 1.00 0.00 H +ATOM 247 HH11 ARG A 16 5.150 -0.962 -5.521 1.00 0.00 H +ATOM 248 HH12 ARG A 16 5.761 -1.962 -6.815 1.00 0.00 H +ATOM 249 HH21 ARG A 16 4.649 -4.894 -5.327 1.00 0.00 H +ATOM 250 HH22 ARG A 16 5.508 -4.205 -6.684 1.00 0.00 H +ATOM 251 N PRO A 17 7.156 2.230 -0.780 1.00 0.00 N +ATOM 252 CA PRO A 17 6.782 3.088 0.345 1.00 0.00 C +ATOM 253 C PRO A 17 5.261 3.331 0.395 1.00 0.00 C +ATOM 254 O PRO A 17 4.586 3.165 -0.624 1.00 0.00 O +ATOM 255 CB PRO A 17 7.554 4.394 0.119 1.00 0.00 C +ATOM 256 CG PRO A 17 7.677 4.474 -1.401 1.00 0.00 C +ATOM 257 CD PRO A 17 7.820 3.010 -1.816 1.00 0.00 C +ATOM 258 HA PRO A 17 7.107 2.628 1.279 1.00 0.00 H +ATOM 259 HB2 PRO A 17 7.009 5.234 0.505 1.00 0.00 H +ATOM 260 HB3 PRO A 17 8.548 4.308 0.561 1.00 0.00 H +ATOM 261 HG2 PRO A 17 6.800 4.914 -1.836 1.00 0.00 H +ATOM 262 HG3 PRO A 17 8.540 5.066 -1.707 1.00 0.00 H +ATOM 263 HD2 PRO A 17 7.349 2.844 -2.766 1.00 0.00 H +ATOM 264 HD3 PRO A 17 8.876 2.739 -1.855 1.00 0.00 H +ATOM 265 N PRO A 18 4.710 3.739 1.555 1.00 0.00 N +ATOM 266 CA PRO A 18 3.287 4.031 1.686 1.00 0.00 C +ATOM 267 C PRO A 18 2.901 5.305 0.913 1.00 0.00 C +ATOM 268 O PRO A 18 3.684 6.256 0.871 1.00 0.00 O +ATOM 269 CB PRO A 18 3.035 4.190 3.187 1.00 0.00 C +ATOM 270 CG PRO A 18 4.385 4.655 3.729 1.00 0.00 C +ATOM 271 CD PRO A 18 5.393 3.949 2.823 1.00 0.00 C +ATOM 272 HA PRO A 18 2.719 3.181 1.316 1.00 0.00 H +ATOM 273 HB2 PRO A 18 2.274 4.924 3.372 1.00 0.00 H +ATOM 274 HB3 PRO A 18 2.781 3.223 3.618 1.00 0.00 H +ATOM 275 HG2 PRO A 18 4.482 5.721 3.654 1.00 0.00 H +ATOM 276 HG3 PRO A 18 4.518 4.377 4.775 1.00 0.00 H +ATOM 277 HD2 PRO A 18 6.262 4.562 2.682 1.00 0.00 H +ATOM 278 HD3 PRO A 18 5.662 2.983 3.253 1.00 0.00 H +ATOM 279 N PRO A 19 1.688 5.360 0.336 1.00 0.00 N +ATOM 280 CA PRO A 19 1.185 6.543 -0.353 1.00 0.00 C +ATOM 281 C PRO A 19 0.715 7.607 0.655 1.00 0.00 C +ATOM 282 O PRO A 19 -0.124 7.324 1.513 1.00 0.00 O +ATOM 283 CB PRO A 19 0.048 6.014 -1.229 1.00 0.00 C +ATOM 284 CG PRO A 19 -0.519 4.852 -0.412 1.00 0.00 C +ATOM 285 CD PRO A 19 0.716 4.275 0.272 1.00 0.00 C +ATOM 286 HA PRO A 19 1.961 6.966 -0.991 1.00 0.00 H +ATOM 287 HB2 PRO A 19 -0.697 6.770 -1.389 1.00 0.00 H +ATOM 288 HB3 PRO A 19 0.463 5.630 -2.162 1.00 0.00 H +ATOM 289 HG2 PRO A 19 -1.232 5.201 0.310 1.00 0.00 H +ATOM 290 HG3 PRO A 19 -1.019 4.114 -1.041 1.00 0.00 H +ATOM 291 HD2 PRO A 19 0.470 3.937 1.260 1.00 0.00 H +ATOM 292 HD3 PRO A 19 1.121 3.461 -0.329 1.00 0.00 H +ATOM 293 N SER A 20 1.271 8.822 0.549 1.00 0.00 N +ATOM 294 CA SER A 20 0.852 10.027 1.285 1.00 0.00 C +ATOM 295 C SER A 20 -0.406 10.657 0.683 1.00 0.00 C +ATOM 296 O SER A 20 -0.387 10.916 -0.540 1.00 0.00 O +ATOM 297 CB SER A 20 1.972 11.071 1.284 1.00 0.00 C +ATOM 298 OG SER A 20 3.120 10.541 1.911 1.00 0.00 O +ATOM 299 OXT SER A 20 -1.341 10.903 1.473 1.00 0.00 O +ATOM 300 H SER A 20 1.969 8.961 -0.165 1.00 0.00 H +ATOM 301 HA SER A 20 0.601 9.760 2.310 1.00 0.00 H +ATOM 302 HB2 SER A 20 2.210 11.338 0.272 1.00 0.00 H +ATOM 303 HB3 SER A 20 1.636 11.959 1.824 1.00 0.00 H +ATOM 304 HG SER A 20 2.831 10.040 2.676 1.00 0.00 H +TER 305 SER A 20 +ENDMDL +MODEL 2 +ATOM 1 N ASN A 1 -6.919 6.901 0.917 1.00 0.00 N +ATOM 2 CA ASN A 1 -7.682 6.025 -0.010 1.00 0.00 C +ATOM 3 C ASN A 1 -6.840 4.889 -0.589 1.00 0.00 C +ATOM 4 O ASN A 1 -7.106 3.741 -0.253 1.00 0.00 O +ATOM 5 CB ASN A 1 -8.428 6.847 -1.072 1.00 0.00 C +ATOM 6 CG ASN A 1 -9.504 7.659 -0.362 1.00 0.00 C +ATOM 7 OD1 ASN A 1 -9.180 8.568 0.382 1.00 0.00 O +ATOM 8 ND2 ASN A 1 -10.768 7.290 -0.468 1.00 0.00 N +ATOM 9 H1 ASN A 1 -6.513 6.358 1.667 1.00 0.00 H +ATOM 10 H2 ASN A 1 -6.191 7.398 0.422 1.00 0.00 H +ATOM 11 H3 ASN A 1 -7.553 7.592 1.308 1.00 0.00 H +ATOM 12 HA ASN A 1 -8.451 5.523 0.581 1.00 0.00 H +ATOM 13 HB2 ASN A 1 -7.743 7.506 -1.571 1.00 0.00 H +ATOM 14 HB3 ASN A 1 -8.886 6.189 -1.811 1.00 0.00 H +ATOM 15 HD21 ASN A 1 -11.078 6.519 -1.037 1.00 0.00 H +ATOM 16 HD22 ASN A 1 -11.417 7.848 0.064 1.00 0.00 H +ATOM 17 N LEU A 2 -5.819 5.175 -1.412 1.00 0.00 N +ATOM 18 CA LEU A 2 -5.020 4.162 -2.130 1.00 0.00 C +ATOM 19 C LEU A 2 -4.244 3.179 -1.224 1.00 0.00 C +ATOM 20 O LEU A 2 -3.761 2.148 -1.693 1.00 0.00 O +ATOM 21 CB LEU A 2 -4.073 4.863 -3.128 1.00 0.00 C +ATOM 22 CG LEU A 2 -4.831 5.608 -4.250 1.00 0.00 C +ATOM 23 CD1 LEU A 2 -5.010 7.109 -3.963 1.00 0.00 C +ATOM 24 CD2 LEU A 2 -4.110 5.465 -5.592 1.00 0.00 C +ATOM 25 H LEU A 2 -5.631 6.133 -1.665 1.00 0.00 H +ATOM 26 HA LEU A 2 -5.709 3.545 -2.710 1.00 0.00 H +ATOM 27 HB2 LEU A 2 -3.472 5.572 -2.591 1.00 0.00 H +ATOM 28 HB3 LEU A 2 -3.451 4.089 -3.583 1.00 0.00 H +ATOM 29 HG LEU A 2 -5.820 5.160 -4.359 1.00 0.00 H +ATOM 30 HD11 LEU A 2 -5.173 7.303 -2.907 1.00 0.00 H +ATOM 31 HD12 LEU A 2 -4.124 7.663 -4.273 1.00 0.00 H +ATOM 32 HD13 LEU A 2 -5.867 7.480 -4.526 1.00 0.00 H +ATOM 33 HD21 LEU A 2 -3.114 5.904 -5.535 1.00 0.00 H +ATOM 34 HD22 LEU A 2 -4.023 4.410 -5.855 1.00 0.00 H +ATOM 35 HD23 LEU A 2 -4.683 5.969 -6.371 1.00 0.00 H +ATOM 36 N TYR A 3 -4.181 3.456 0.082 1.00 0.00 N +ATOM 37 CA TYR A 3 -3.537 2.636 1.105 1.00 0.00 C +ATOM 38 C TYR A 3 -4.038 1.181 1.139 1.00 0.00 C +ATOM 39 O TYR A 3 -3.259 0.273 1.413 1.00 0.00 O +ATOM 40 CB TYR A 3 -3.727 3.313 2.471 1.00 0.00 C +ATOM 41 CG TYR A 3 -2.520 3.154 3.365 1.00 0.00 C +ATOM 42 CD1 TYR A 3 -2.382 2.007 4.169 1.00 0.00 C +ATOM 43 CD2 TYR A 3 -1.514 4.139 3.357 1.00 0.00 C +ATOM 44 CE1 TYR A 3 -1.233 1.840 4.963 1.00 0.00 C +ATOM 45 CE2 TYR A 3 -0.365 3.977 4.149 1.00 0.00 C +ATOM 46 CZ TYR A 3 -0.218 2.820 4.947 1.00 0.00 C +ATOM 47 OH TYR A 3 0.909 2.639 5.687 1.00 0.00 O +ATOM 48 H TYR A 3 -4.618 4.309 0.378 1.00 0.00 H +ATOM 49 HA TYR A 3 -2.470 2.610 0.881 1.00 0.00 H +ATOM 50 HB2 TYR A 3 -3.905 4.360 2.315 1.00 0.00 H +ATOM 51 HB3 TYR A 3 -4.610 2.907 2.968 1.00 0.00 H +ATOM 52 HD1 TYR A 3 -3.154 1.253 4.165 1.00 0.00 H +ATOM 53 HD2 TYR A 3 -1.614 5.025 2.743 1.00 0.00 H +ATOM 54 HE1 TYR A 3 -1.110 0.964 5.579 1.00 0.00 H +ATOM 55 HE2 TYR A 3 0.390 4.746 4.148 1.00 0.00 H +ATOM 56 HH TYR A 3 1.602 3.248 5.433 1.00 0.00 H +ATOM 57 N ILE A 4 -5.316 0.947 0.804 1.00 0.00 N +ATOM 58 CA ILE A 4 -5.914 -0.393 0.686 1.00 0.00 C +ATOM 59 C ILE A 4 -5.157 -1.200 -0.382 1.00 0.00 C +ATOM 60 O ILE A 4 -4.755 -2.338 -0.140 1.00 0.00 O +ATOM 61 CB ILE A 4 -7.421 -0.283 0.330 1.00 0.00 C +ATOM 62 CG1 ILE A 4 -8.214 0.632 1.300 1.00 0.00 C +ATOM 63 CG2 ILE A 4 -8.099 -1.670 0.270 1.00 0.00 C +ATOM 64 CD1 ILE A 4 -9.489 1.191 0.662 1.00 0.00 C +ATOM 65 H ILE A 4 -5.889 1.753 0.580 1.00 0.00 H +ATOM 66 HA ILE A 4 -5.814 -0.911 1.639 1.00 0.00 H +ATOM 67 HB ILE A 4 -7.477 0.157 -0.667 1.00 0.00 H +ATOM 68 HG12 ILE A 4 -8.484 0.062 2.168 1.00 0.00 H +ATOM 69 HG13 ILE A 4 -7.616 1.489 1.603 1.00 0.00 H +ATOM 70 HG21 ILE A 4 -7.421 -2.428 -0.112 1.00 0.00 H +ATOM 71 HG22 ILE A 4 -8.432 -1.979 1.263 1.00 0.00 H +ATOM 72 HG23 ILE A 4 -8.967 -1.620 -0.389 1.00 0.00 H +ATOM 73 HD11 ILE A 4 -9.235 1.742 -0.245 1.00 0.00 H +ATOM 74 HD12 ILE A 4 -10.180 0.385 0.416 1.00 0.00 H +ATOM 75 HD13 ILE A 4 -9.973 1.875 1.360 1.00 0.00 H +ATOM 76 N GLN A 5 -4.948 -0.605 -1.564 1.00 0.00 N +ATOM 77 CA GLN A 5 -4.253 -1.225 -2.692 1.00 0.00 C +ATOM 78 C GLN A 5 -2.763 -1.444 -2.393 1.00 0.00 C +ATOM 79 O GLN A 5 -2.186 -2.435 -2.832 1.00 0.00 O +ATOM 80 CB GLN A 5 -4.443 -0.345 -3.944 1.00 0.00 C +ATOM 81 CG GLN A 5 -4.608 -1.157 -5.242 1.00 0.00 C +ATOM 82 CD GLN A 5 -5.950 -0.859 -5.909 1.00 0.00 C +ATOM 83 OE1 GLN A 5 -6.138 0.164 -6.544 1.00 0.00 O +ATOM 84 NE2 GLN A 5 -6.941 -1.718 -5.770 1.00 0.00 N +ATOM 85 H GLN A 5 -5.217 0.365 -1.657 1.00 0.00 H +ATOM 86 HA GLN A 5 -4.707 -2.201 -2.864 1.00 0.00 H +ATOM 87 HB2 GLN A 5 -5.320 0.258 -3.806 1.00 0.00 H +ATOM 88 HB3 GLN A 5 -3.591 0.328 -4.050 1.00 0.00 H +ATOM 89 HG2 GLN A 5 -3.816 -0.901 -5.919 1.00 0.00 H +ATOM 90 HG3 GLN A 5 -4.525 -2.228 -5.051 1.00 0.00 H +ATOM 91 HE21 GLN A 5 -6.847 -2.590 -5.280 1.00 0.00 H +ATOM 92 HE22 GLN A 5 -7.781 -1.439 -6.247 1.00 0.00 H +ATOM 93 N TRP A 6 -2.145 -0.549 -1.610 1.00 0.00 N +ATOM 94 CA TRP A 6 -0.791 -0.749 -1.090 1.00 0.00 C +ATOM 95 C TRP A 6 -0.713 -1.909 -0.084 1.00 0.00 C +ATOM 96 O TRP A 6 0.161 -2.766 -0.210 1.00 0.00 O +ATOM 97 CB TRP A 6 -0.266 0.564 -0.501 1.00 0.00 C +ATOM 98 CG TRP A 6 1.149 0.501 -0.014 1.00 0.00 C +ATOM 99 CD1 TRP A 6 2.254 0.539 -0.795 1.00 0.00 C +ATOM 100 CD2 TRP A 6 1.637 0.388 1.358 1.00 0.00 C +ATOM 101 NE1 TRP A 6 3.382 0.433 -0.006 1.00 0.00 N +ATOM 102 CE2 TRP A 6 3.062 0.366 1.327 1.00 0.00 C +ATOM 103 CE3 TRP A 6 1.023 0.313 2.627 1.00 0.00 C +ATOM 104 CZ2 TRP A 6 3.844 0.308 2.487 1.00 0.00 C +ATOM 105 CZ3 TRP A 6 1.800 0.231 3.799 1.00 0.00 C +ATOM 106 CH2 TRP A 6 3.205 0.246 3.733 1.00 0.00 C +ATOM 107 H TRP A 6 -2.669 0.277 -1.341 1.00 0.00 H +ATOM 108 HA TRP A 6 -0.144 -1.024 -1.920 1.00 0.00 H +ATOM 109 HB2 TRP A 6 -0.327 1.320 -1.260 1.00 0.00 H +ATOM 110 HB3 TRP A 6 -0.903 0.868 0.329 1.00 0.00 H +ATOM 111 HD1 TRP A 6 2.260 0.636 -1.868 1.00 0.00 H +ATOM 112 HE1 TRP A 6 4.347 0.425 -0.348 1.00 0.00 H +ATOM 113 HE3 TRP A 6 -0.055 0.327 2.692 1.00 0.00 H +ATOM 114 HZ2 TRP A 6 4.922 0.297 2.403 1.00 0.00 H +ATOM 115 HZ3 TRP A 6 1.315 0.170 4.763 1.00 0.00 H +ATOM 116 HH2 TRP A 6 3.791 0.201 4.639 1.00 0.00 H +ATOM 117 N LEU A 7 -1.646 -1.992 0.877 1.00 0.00 N +ATOM 118 CA LEU A 7 -1.701 -3.105 1.831 1.00 0.00 C +ATOM 119 C LEU A 7 -1.917 -4.465 1.152 1.00 0.00 C +ATOM 120 O LEU A 7 -1.290 -5.437 1.570 1.00 0.00 O +ATOM 121 CB LEU A 7 -2.777 -2.856 2.905 1.00 0.00 C +ATOM 122 CG LEU A 7 -2.370 -1.808 3.958 1.00 0.00 C +ATOM 123 CD1 LEU A 7 -3.595 -1.444 4.805 1.00 0.00 C +ATOM 124 CD2 LEU A 7 -1.255 -2.296 4.897 1.00 0.00 C +ATOM 125 H LEU A 7 -2.325 -1.238 0.964 1.00 0.00 H +ATOM 126 HA LEU A 7 -0.726 -3.167 2.315 1.00 0.00 H +ATOM 127 HB2 LEU A 7 -3.670 -2.517 2.417 1.00 0.00 H +ATOM 128 HB3 LEU A 7 -2.988 -3.793 3.422 1.00 0.00 H +ATOM 129 HG LEU A 7 -2.023 -0.911 3.448 1.00 0.00 H +ATOM 130 HD11 LEU A 7 -4.368 -1.013 4.171 1.00 0.00 H +ATOM 131 HD12 LEU A 7 -3.990 -2.337 5.292 1.00 0.00 H +ATOM 132 HD13 LEU A 7 -3.314 -0.721 5.570 1.00 0.00 H +ATOM 133 HD21 LEU A 7 -1.674 -2.706 5.816 1.00 0.00 H +ATOM 134 HD22 LEU A 7 -0.651 -3.072 4.431 1.00 0.00 H +ATOM 135 HD23 LEU A 7 -0.606 -1.459 5.148 1.00 0.00 H +ATOM 136 N LYS A 8 -2.727 -4.538 0.081 1.00 0.00 N +ATOM 137 CA LYS A 8 -2.916 -5.759 -0.732 1.00 0.00 C +ATOM 138 C LYS A 8 -1.597 -6.366 -1.231 1.00 0.00 C +ATOM 139 O LYS A 8 -1.499 -7.582 -1.342 1.00 0.00 O +ATOM 140 CB LYS A 8 -3.803 -5.459 -1.952 1.00 0.00 C +ATOM 141 CG LYS A 8 -5.289 -5.218 -1.653 1.00 0.00 C +ATOM 142 CD LYS A 8 -6.117 -6.512 -1.588 1.00 0.00 C +ATOM 143 CE LYS A 8 -7.591 -6.248 -1.927 1.00 0.00 C +ATOM 144 NZ LYS A 8 -8.242 -5.337 -0.956 1.00 0.00 N +ATOM 145 H LYS A 8 -3.244 -3.695 -0.159 1.00 0.00 H +ATOM 146 HA LYS A 8 -3.390 -6.527 -0.119 1.00 0.00 H +ATOM 147 HB2 LYS A 8 -3.417 -4.581 -2.432 1.00 0.00 H +ATOM 148 HB3 LYS A 8 -3.718 -6.282 -2.665 1.00 0.00 H +ATOM 149 HG2 LYS A 8 -5.369 -4.715 -0.708 1.00 0.00 H +ATOM 150 HG3 LYS A 8 -5.682 -4.593 -2.456 1.00 0.00 H +ATOM 151 HD2 LYS A 8 -5.718 -7.218 -2.290 1.00 0.00 H +ATOM 152 HD3 LYS A 8 -6.028 -6.959 -0.595 1.00 0.00 H +ATOM 153 HE2 LYS A 8 -7.646 -5.806 -2.903 1.00 0.00 H +ATOM 154 HE3 LYS A 8 -8.119 -7.204 -1.955 1.00 0.00 H +ATOM 155 HZ1 LYS A 8 -8.219 -5.741 -0.030 1.00 0.00 H +ATOM 156 HZ2 LYS A 8 -7.756 -4.452 -0.934 1.00 0.00 H +ATOM 157 HZ3 LYS A 8 -9.207 -5.176 -1.217 1.00 0.00 H +ATOM 158 N ASP A 9 -0.598 -5.528 -1.520 1.00 0.00 N +ATOM 159 CA ASP A 9 0.739 -5.926 -1.971 1.00 0.00 C +ATOM 160 C ASP A 9 1.608 -6.494 -0.823 1.00 0.00 C +ATOM 161 O ASP A 9 2.705 -7.002 -1.069 1.00 0.00 O +ATOM 162 CB ASP A 9 1.387 -4.675 -2.604 1.00 0.00 C +ATOM 163 CG ASP A 9 2.379 -4.929 -3.745 1.00 0.00 C +ATOM 164 OD1 ASP A 9 2.947 -6.037 -3.844 1.00 0.00 O +ATOM 165 OD2 ASP A 9 2.565 -3.967 -4.523 1.00 0.00 O +ATOM 166 H ASP A 9 -0.766 -4.537 -1.399 1.00 0.00 H +ATOM 167 HA ASP A 9 0.643 -6.697 -2.737 1.00 0.00 H +ATOM 168 HB2 ASP A 9 0.598 -4.057 -2.988 1.00 0.00 H +ATOM 169 HB3 ASP A 9 1.882 -4.089 -1.828 1.00 0.00 H +ATOM 170 N GLY A 10 1.186 -6.365 0.446 1.00 0.00 N +ATOM 171 CA GLY A 10 1.973 -6.740 1.632 1.00 0.00 C +ATOM 172 C GLY A 10 2.532 -5.564 2.451 1.00 0.00 C +ATOM 173 O GLY A 10 3.354 -5.783 3.347 1.00 0.00 O +ATOM 174 H GLY A 10 0.256 -5.985 0.605 1.00 0.00 H +ATOM 175 HA2 GLY A 10 1.333 -7.328 2.291 1.00 0.00 H +ATOM 176 HA3 GLY A 10 2.812 -7.373 1.342 1.00 0.00 H +ATOM 177 N GLY A 11 2.105 -4.325 2.171 1.00 0.00 N +ATOM 178 CA GLY A 11 2.505 -3.133 2.918 1.00 0.00 C +ATOM 179 C GLY A 11 4.031 -2.908 2.926 1.00 0.00 C +ATOM 180 O GLY A 11 4.638 -2.849 1.855 1.00 0.00 O +ATOM 181 H GLY A 11 1.516 -4.204 1.357 1.00 0.00 H +ATOM 182 HA2 GLY A 11 2.038 -2.263 2.459 1.00 0.00 H +ATOM 183 HA3 GLY A 11 2.123 -3.226 3.932 1.00 0.00 H +ATOM 184 N PRO A 12 4.693 -2.777 4.097 1.00 0.00 N +ATOM 185 CA PRO A 12 6.148 -2.595 4.163 1.00 0.00 C +ATOM 186 C PRO A 12 6.957 -3.724 3.506 1.00 0.00 C +ATOM 187 O PRO A 12 8.099 -3.504 3.110 1.00 0.00 O +ATOM 188 CB PRO A 12 6.499 -2.497 5.652 1.00 0.00 C +ATOM 189 CG PRO A 12 5.185 -2.111 6.326 1.00 0.00 C +ATOM 190 CD PRO A 12 4.127 -2.769 5.441 1.00 0.00 C +ATOM 191 HA PRO A 12 6.400 -1.655 3.673 1.00 0.00 H +ATOM 192 HB2 PRO A 12 6.853 -3.440 6.022 1.00 0.00 H +ATOM 193 HB3 PRO A 12 7.273 -1.749 5.829 1.00 0.00 H +ATOM 194 HG2 PRO A 12 5.140 -2.494 7.327 1.00 0.00 H +ATOM 195 HG3 PRO A 12 5.066 -1.027 6.297 1.00 0.00 H +ATOM 196 HD2 PRO A 12 3.932 -3.771 5.772 1.00 0.00 H +ATOM 197 HD3 PRO A 12 3.200 -2.199 5.491 1.00 0.00 H +ATOM 198 N SER A 13 6.381 -4.927 3.375 1.00 0.00 N +ATOM 199 CA SER A 13 7.056 -6.106 2.818 1.00 0.00 C +ATOM 200 C SER A 13 7.017 -6.159 1.275 1.00 0.00 C +ATOM 201 O SER A 13 7.448 -7.142 0.680 1.00 0.00 O +ATOM 202 CB SER A 13 6.474 -7.366 3.479 1.00 0.00 C +ATOM 203 OG SER A 13 7.471 -8.354 3.649 1.00 0.00 O +ATOM 204 H SER A 13 5.406 -5.030 3.647 1.00 0.00 H +ATOM 205 HA SER A 13 8.108 -6.044 3.095 1.00 0.00 H +ATOM 206 HB2 SER A 13 6.071 -7.105 4.439 1.00 0.00 H +ATOM 207 HB3 SER A 13 5.651 -7.761 2.885 1.00 0.00 H +ATOM 208 HG SER A 13 8.161 -8.011 4.225 1.00 0.00 H +ATOM 209 N SER A 14 6.529 -5.095 0.619 1.00 0.00 N +ATOM 210 CA SER A 14 6.302 -5.007 -0.834 1.00 0.00 C +ATOM 211 C SER A 14 7.350 -4.180 -1.591 1.00 0.00 C +ATOM 212 O SER A 14 7.202 -3.947 -2.792 1.00 0.00 O +ATOM 213 CB SER A 14 4.935 -4.369 -1.091 1.00 0.00 C +ATOM 214 OG SER A 14 3.965 -4.957 -0.265 1.00 0.00 O +ATOM 215 H SER A 14 6.105 -4.361 1.178 1.00 0.00 H +ATOM 216 HA SER A 14 6.289 -6.011 -1.260 1.00 0.00 H +ATOM 217 HB2 SER A 14 4.989 -3.318 -0.882 1.00 0.00 H +ATOM 218 HB3 SER A 14 4.656 -4.489 -2.138 1.00 0.00 H +ATOM 219 HG SER A 14 3.647 -5.806 -0.666 1.00 0.00 H +ATOM 220 N GLY A 15 8.373 -3.654 -0.908 1.00 0.00 N +ATOM 221 CA GLY A 15 9.445 -2.839 -1.497 1.00 0.00 C +ATOM 222 C GLY A 15 9.049 -1.393 -1.840 1.00 0.00 C +ATOM 223 O GLY A 15 9.855 -0.483 -1.659 1.00 0.00 O +ATOM 224 H GLY A 15 8.407 -3.857 0.081 1.00 0.00 H +ATOM 225 HA2 GLY A 15 10.287 -2.809 -0.807 1.00 0.00 H +ATOM 226 HA3 GLY A 15 9.786 -3.320 -2.417 1.00 0.00 H +ATOM 227 N ARG A 16 7.819 -1.163 -2.323 1.00 0.00 N +ATOM 228 CA ARG A 16 7.267 0.167 -2.623 1.00 0.00 C +ATOM 229 C ARG A 16 6.861 0.912 -1.332 1.00 0.00 C +ATOM 230 O ARG A 16 6.127 0.334 -0.526 1.00 0.00 O +ATOM 231 CB ARG A 16 6.068 -0.003 -3.571 1.00 0.00 C +ATOM 232 CG ARG A 16 5.414 1.333 -3.977 1.00 0.00 C +ATOM 233 CD ARG A 16 4.325 1.183 -5.049 1.00 0.00 C +ATOM 234 NE ARG A 16 3.153 0.425 -4.574 1.00 0.00 N +ATOM 235 CZ ARG A 16 2.950 -0.885 -4.652 1.00 0.00 C +ATOM 236 NH1 ARG A 16 3.781 -1.719 -5.224 1.00 0.00 N +ATOM 237 NH2 ARG A 16 1.882 -1.432 -4.137 1.00 0.00 N +ATOM 238 H ARG A 16 7.253 -1.991 -2.486 1.00 0.00 H +ATOM 239 HA ARG A 16 8.044 0.730 -3.139 1.00 0.00 H +ATOM 240 HB2 ARG A 16 6.405 -0.501 -4.460 1.00 0.00 H +ATOM 241 HB3 ARG A 16 5.323 -0.632 -3.081 1.00 0.00 H +ATOM 242 HG2 ARG A 16 4.972 1.774 -3.104 1.00 0.00 H +ATOM 243 HG3 ARG A 16 6.184 1.994 -4.374 1.00 0.00 H +ATOM 244 HD2 ARG A 16 4.002 2.161 -5.348 1.00 0.00 H +ATOM 245 HD3 ARG A 16 4.750 0.718 -5.940 1.00 0.00 H +ATOM 246 HE ARG A 16 2.420 0.960 -4.143 1.00 0.00 H +ATOM 247 HH11 ARG A 16 4.628 -1.423 -5.666 1.00 0.00 H +ATOM 248 HH12 ARG A 16 3.523 -2.718 -5.142 1.00 0.00 H +ATOM 249 HH21 ARG A 16 1.142 -0.941 -3.681 1.00 0.00 H +ATOM 250 HH22 ARG A 16 1.880 -2.460 -4.219 1.00 0.00 H +ATOM 251 N PRO A 17 7.251 2.191 -1.139 1.00 0.00 N +ATOM 252 CA PRO A 17 6.871 2.981 0.038 1.00 0.00 C +ATOM 253 C PRO A 17 5.351 3.255 0.119 1.00 0.00 C +ATOM 254 O PRO A 17 4.652 3.132 -0.890 1.00 0.00 O +ATOM 255 CB PRO A 17 7.673 4.286 -0.077 1.00 0.00 C +ATOM 256 CG PRO A 17 7.906 4.435 -1.577 1.00 0.00 C +ATOM 257 CD PRO A 17 8.086 2.989 -2.028 1.00 0.00 C +ATOM 258 HA PRO A 17 7.180 2.447 0.936 1.00 0.00 H +ATOM 259 HB2 PRO A 17 7.111 5.116 0.307 1.00 0.00 H +ATOM 260 HB3 PRO A 17 8.633 4.169 0.430 1.00 0.00 H +ATOM 261 HG2 PRO A 17 7.061 4.889 -2.058 1.00 0.00 H +ATOM 262 HG3 PRO A 17 8.783 5.042 -1.795 1.00 0.00 H +ATOM 263 HD2 PRO A 17 7.767 2.872 -3.046 1.00 0.00 H +ATOM 264 HD3 PRO A 17 9.129 2.692 -1.905 1.00 0.00 H +ATOM 265 N PRO A 18 4.829 3.643 1.300 1.00 0.00 N +ATOM 266 CA PRO A 18 3.403 3.904 1.495 1.00 0.00 C +ATOM 267 C PRO A 18 2.923 5.149 0.722 1.00 0.00 C +ATOM 268 O PRO A 18 3.644 6.147 0.672 1.00 0.00 O +ATOM 269 CB PRO A 18 3.222 4.081 3.006 1.00 0.00 C +ATOM 270 CG PRO A 18 4.595 4.541 3.490 1.00 0.00 C +ATOM 271 CD PRO A 18 5.551 3.810 2.554 1.00 0.00 C +ATOM 272 HA PRO A 18 2.843 3.030 1.174 1.00 0.00 H +ATOM 273 HB2 PRO A 18 2.475 4.822 3.217 1.00 0.00 H +ATOM 274 HB3 PRO A 18 2.979 3.120 3.459 1.00 0.00 H +ATOM 275 HG2 PRO A 18 4.701 5.605 3.396 1.00 0.00 H +ATOM 276 HG3 PRO A 18 4.768 4.278 4.535 1.00 0.00 H +ATOM 277 HD2 PRO A 18 6.440 4.391 2.399 1.00 0.00 H +ATOM 278 HD3 PRO A 18 5.790 2.828 2.968 1.00 0.00 H +ATOM 279 N PRO A 19 1.700 5.129 0.152 1.00 0.00 N +ATOM 280 CA PRO A 19 1.125 6.268 -0.557 1.00 0.00 C +ATOM 281 C PRO A 19 0.575 7.306 0.435 1.00 0.00 C +ATOM 282 O PRO A 19 -0.344 7.009 1.205 1.00 0.00 O +ATOM 283 CB PRO A 19 0.028 5.669 -1.440 1.00 0.00 C +ATOM 284 CG PRO A 19 -0.475 4.478 -0.625 1.00 0.00 C +ATOM 285 CD PRO A 19 0.782 3.998 0.106 1.00 0.00 C +ATOM 286 HA PRO A 19 1.879 6.738 -1.190 1.00 0.00 H +ATOM 287 HB2 PRO A 19 -0.759 6.379 -1.608 1.00 0.00 H +ATOM 288 HB3 PRO A 19 0.474 5.307 -2.369 1.00 0.00 H +ATOM 289 HG2 PRO A 19 -1.233 4.781 0.071 1.00 0.00 H +ATOM 290 HG3 PRO A 19 -0.891 3.701 -1.265 1.00 0.00 H +ATOM 291 HD2 PRO A 19 0.533 3.683 1.101 1.00 0.00 H +ATOM 292 HD3 PRO A 19 1.245 3.191 -0.461 1.00 0.00 H +ATOM 293 N SER A 20 1.145 8.513 0.410 1.00 0.00 N +ATOM 294 CA SER A 20 0.696 9.699 1.148 1.00 0.00 C +ATOM 295 C SER A 20 -0.231 10.590 0.317 1.00 0.00 C +ATOM 296 O SER A 20 -1.174 11.122 0.943 1.00 0.00 O +ATOM 297 CB SER A 20 1.911 10.475 1.671 1.00 0.00 C +ATOM 298 OG SER A 20 2.908 10.615 0.673 1.00 0.00 O +ATOM 299 OXT SER A 20 -0.010 10.716 -0.908 1.00 0.00 O +ATOM 300 H SER A 20 1.907 8.704 -0.228 1.00 0.00 H +ATOM 301 HA SER A 20 0.105 9.384 2.006 1.00 0.00 H +ATOM 302 HB2 SER A 20 1.593 11.450 1.985 1.00 0.00 H +ATOM 303 HB3 SER A 20 2.334 9.927 2.515 1.00 0.00 H +ATOM 304 HG SER A 20 3.569 11.243 0.968 1.00 0.00 H +TER 305 SER A 20 +ENDMDL +MODEL 3 +ATOM 1 N ASN A 1 -6.589 7.754 -0.571 1.00 0.00 N +ATOM 2 CA ASN A 1 -7.389 6.514 -0.405 1.00 0.00 C +ATOM 3 C ASN A 1 -6.780 5.255 -1.052 1.00 0.00 C +ATOM 4 O ASN A 1 -7.487 4.266 -1.200 1.00 0.00 O +ATOM 5 CB ASN A 1 -8.845 6.767 -0.857 1.00 0.00 C +ATOM 6 CG ASN A 1 -9.521 7.797 0.047 1.00 0.00 C +ATOM 7 OD1 ASN A 1 -8.922 8.257 1.009 1.00 0.00 O +ATOM 8 ND2 ASN A 1 -10.737 8.213 -0.242 1.00 0.00 N +ATOM 9 H1 ASN A 1 -5.686 7.665 -0.127 1.00 0.00 H +ATOM 10 H2 ASN A 1 -6.476 7.977 -1.550 1.00 0.00 H +ATOM 11 H3 ASN A 1 -7.086 8.512 -0.117 1.00 0.00 H +ATOM 12 HA ASN A 1 -7.439 6.298 0.664 1.00 0.00 H +ATOM 13 HB2 ASN A 1 -8.842 7.132 -1.866 1.00 0.00 H +ATOM 14 HB3 ASN A 1 -9.424 5.843 -0.797 1.00 0.00 H +ATOM 15 HD21 ASN A 1 -11.261 7.891 -1.039 1.00 0.00 H +ATOM 16 HD22 ASN A 1 -11.125 8.874 0.414 1.00 0.00 H +ATOM 17 N LEU A 2 -5.480 5.231 -1.392 1.00 0.00 N +ATOM 18 CA LEU A 2 -4.832 4.056 -2.001 1.00 0.00 C +ATOM 19 C LEU A 2 -4.184 3.091 -0.988 1.00 0.00 C +ATOM 20 O LEU A 2 -3.640 2.061 -1.389 1.00 0.00 O +ATOM 21 CB LEU A 2 -3.822 4.536 -3.062 1.00 0.00 C +ATOM 22 CG LEU A 2 -4.511 4.943 -4.385 1.00 0.00 C +ATOM 23 CD1 LEU A 2 -4.400 6.448 -4.640 1.00 0.00 C +ATOM 24 CD2 LEU A 2 -3.900 4.181 -5.563 1.00 0.00 C +ATOM 25 H LEU A 2 -4.873 6.022 -1.250 1.00 0.00 H +ATOM 26 HA LEU A 2 -5.585 3.455 -2.516 1.00 0.00 H +ATOM 27 HB2 LEU A 2 -3.291 5.384 -2.674 1.00 0.00 H +ATOM 28 HB3 LEU A 2 -3.120 3.726 -3.266 1.00 0.00 H +ATOM 29 HG LEU A 2 -5.571 4.692 -4.345 1.00 0.00 H +ATOM 30 HD11 LEU A 2 -4.890 6.998 -3.839 1.00 0.00 H +ATOM 31 HD12 LEU A 2 -3.352 6.744 -4.701 1.00 0.00 H +ATOM 32 HD13 LEU A 2 -4.890 6.694 -5.582 1.00 0.00 H +ATOM 33 HD21 LEU A 2 -2.824 4.351 -5.605 1.00 0.00 H +ATOM 34 HD22 LEU A 2 -4.093 3.114 -5.443 1.00 0.00 H +ATOM 35 HD23 LEU A 2 -4.353 4.513 -6.498 1.00 0.00 H +ATOM 36 N TYR A 3 -4.252 3.387 0.316 1.00 0.00 N +ATOM 37 CA TYR A 3 -3.584 2.609 1.367 1.00 0.00 C +ATOM 38 C TYR A 3 -4.003 1.131 1.375 1.00 0.00 C +ATOM 39 O TYR A 3 -3.167 0.257 1.584 1.00 0.00 O +ATOM 40 CB TYR A 3 -3.828 3.261 2.737 1.00 0.00 C +ATOM 41 CG TYR A 3 -2.625 3.147 3.649 1.00 0.00 C +ATOM 42 CD1 TYR A 3 -2.431 2.000 4.441 1.00 0.00 C +ATOM 43 CD2 TYR A 3 -1.668 4.180 3.663 1.00 0.00 C +ATOM 44 CE1 TYR A 3 -1.274 1.880 5.234 1.00 0.00 C +ATOM 45 CE2 TYR A 3 -0.512 4.070 4.456 1.00 0.00 C +ATOM 46 CZ TYR A 3 -0.306 2.910 5.235 1.00 0.00 C +ATOM 47 OH TYR A 3 0.828 2.769 5.969 1.00 0.00 O +ATOM 48 H TYR A 3 -4.725 4.233 0.586 1.00 0.00 H +ATOM 49 HA TYR A 3 -2.512 2.640 1.167 1.00 0.00 H +ATOM 50 HB2 TYR A 3 -4.053 4.300 2.590 1.00 0.00 H +ATOM 51 HB3 TYR A 3 -4.698 2.806 3.217 1.00 0.00 H +ATOM 52 HD1 TYR A 3 -3.165 1.208 4.426 1.00 0.00 H +ATOM 53 HD2 TYR A 3 -1.819 5.061 3.058 1.00 0.00 H +ATOM 54 HE1 TYR A 3 -1.103 1.003 5.839 1.00 0.00 H +ATOM 55 HE2 TYR A 3 0.213 4.873 4.463 1.00 0.00 H +ATOM 56 HH TYR A 3 1.448 3.481 5.798 1.00 0.00 H +ATOM 57 N ILE A 4 -5.279 0.849 1.085 1.00 0.00 N +ATOM 58 CA ILE A 4 -5.832 -0.507 0.951 1.00 0.00 C +ATOM 59 C ILE A 4 -5.162 -1.250 -0.218 1.00 0.00 C +ATOM 60 O ILE A 4 -4.774 -2.406 -0.080 1.00 0.00 O +ATOM 61 CB ILE A 4 -7.364 -0.433 0.749 1.00 0.00 C +ATOM 62 CG1 ILE A 4 -8.090 0.338 1.884 1.00 0.00 C +ATOM 63 CG2 ILE A 4 -7.975 -1.842 0.631 1.00 0.00 C +ATOM 64 CD1 ILE A 4 -9.163 1.282 1.326 1.00 0.00 C +ATOM 65 H ILE A 4 -5.896 1.633 0.934 1.00 0.00 H +ATOM 66 HA ILE A 4 -5.625 -1.065 1.865 1.00 0.00 H +ATOM 67 HB ILE A 4 -7.545 0.087 -0.194 1.00 0.00 H +ATOM 68 HG12 ILE A 4 -8.556 -0.369 2.543 1.00 0.00 H +ATOM 69 HG13 ILE A 4 -7.392 0.938 2.466 1.00 0.00 H +ATOM 70 HG21 ILE A 4 -7.611 -2.347 -0.263 1.00 0.00 H +ATOM 71 HG22 ILE A 4 -7.710 -2.438 1.506 1.00 0.00 H +ATOM 72 HG23 ILE A 4 -9.061 -1.773 0.565 1.00 0.00 H +ATOM 73 HD11 ILE A 4 -8.695 2.037 0.690 1.00 0.00 H +ATOM 74 HD12 ILE A 4 -9.891 0.720 0.741 1.00 0.00 H +ATOM 75 HD13 ILE A 4 -9.673 1.781 2.148 1.00 0.00 H +ATOM 76 N GLN A 5 -5.009 -0.575 -1.365 1.00 0.00 N +ATOM 77 CA GLN A 5 -4.335 -1.103 -2.553 1.00 0.00 C +ATOM 78 C GLN A 5 -2.863 -1.419 -2.249 1.00 0.00 C +ATOM 79 O GLN A 5 -2.395 -2.511 -2.553 1.00 0.00 O +ATOM 80 CB GLN A 5 -4.497 -0.107 -3.724 1.00 0.00 C +ATOM 81 CG GLN A 5 -4.929 -0.785 -5.036 1.00 0.00 C +ATOM 82 CD GLN A 5 -3.943 -1.843 -5.517 1.00 0.00 C +ATOM 83 OE1 GLN A 5 -4.193 -3.032 -5.373 1.00 0.00 O +ATOM 84 NE2 GLN A 5 -2.824 -1.457 -6.094 1.00 0.00 N +ATOM 85 H GLN A 5 -5.260 0.403 -1.368 1.00 0.00 H +ATOM 86 HA GLN A 5 -4.818 -2.043 -2.816 1.00 0.00 H +ATOM 87 HB2 GLN A 5 -5.239 0.620 -3.454 1.00 0.00 H +ATOM 88 HB3 GLN A 5 -3.566 0.435 -3.888 1.00 0.00 H +ATOM 89 HG2 GLN A 5 -5.882 -1.252 -4.881 1.00 0.00 H +ATOM 90 HG3 GLN A 5 -5.049 -0.026 -5.809 1.00 0.00 H +ATOM 91 HE21 GLN A 5 -2.586 -0.491 -6.238 1.00 0.00 H +ATOM 92 HE22 GLN A 5 -2.170 -2.206 -6.277 1.00 0.00 H +ATOM 93 N TRP A 6 -2.154 -0.497 -1.588 1.00 0.00 N +ATOM 94 CA TRP A 6 -0.771 -0.717 -1.152 1.00 0.00 C +ATOM 95 C TRP A 6 -0.632 -1.844 -0.111 1.00 0.00 C +ATOM 96 O TRP A 6 0.256 -2.687 -0.229 1.00 0.00 O +ATOM 97 CB TRP A 6 -0.212 0.604 -0.620 1.00 0.00 C +ATOM 98 CG TRP A 6 1.197 0.514 -0.129 1.00 0.00 C +ATOM 99 CD1 TRP A 6 2.296 0.452 -0.915 1.00 0.00 C +ATOM 100 CD2 TRP A 6 1.679 0.425 1.247 1.00 0.00 C +ATOM 101 NE1 TRP A 6 3.420 0.332 -0.121 1.00 0.00 N +ATOM 102 CE2 TRP A 6 3.101 0.324 1.215 1.00 0.00 C +ATOM 103 CE3 TRP A 6 1.066 0.422 2.519 1.00 0.00 C +ATOM 104 CZ2 TRP A 6 3.882 0.249 2.375 1.00 0.00 C +ATOM 105 CZ3 TRP A 6 1.839 0.334 3.694 1.00 0.00 C +ATOM 106 CH2 TRP A 6 3.243 0.260 3.625 1.00 0.00 C +ATOM 107 H TRP A 6 -2.607 0.391 -1.386 1.00 0.00 H +ATOM 108 HA TRP A 6 -0.178 -1.016 -2.020 1.00 0.00 H +ATOM 109 HB2 TRP A 6 -0.248 1.329 -1.411 1.00 0.00 H +ATOM 110 HB3 TRP A 6 -0.841 0.958 0.197 1.00 0.00 H +ATOM 111 HD1 TRP A 6 2.289 0.483 -1.998 1.00 0.00 H +ATOM 112 HE1 TRP A 6 4.387 0.296 -0.451 1.00 0.00 H +ATOM 113 HE3 TRP A 6 -0.010 0.498 2.586 1.00 0.00 H +ATOM 114 HZ2 TRP A 6 4.957 0.179 2.290 1.00 0.00 H +ATOM 115 HZ3 TRP A 6 1.352 0.341 4.659 1.00 0.00 H +ATOM 116 HH2 TRP A 6 3.829 0.212 4.531 1.00 0.00 H +ATOM 117 N LEU A 7 -1.520 -1.904 0.893 1.00 0.00 N +ATOM 118 CA LEU A 7 -1.537 -3.007 1.858 1.00 0.00 C +ATOM 119 C LEU A 7 -1.844 -4.359 1.198 1.00 0.00 C +ATOM 120 O LEU A 7 -1.228 -5.350 1.586 1.00 0.00 O +ATOM 121 CB LEU A 7 -2.520 -2.723 3.008 1.00 0.00 C +ATOM 122 CG LEU A 7 -2.010 -1.728 4.070 1.00 0.00 C +ATOM 123 CD1 LEU A 7 -3.122 -1.497 5.096 1.00 0.00 C +ATOM 124 CD2 LEU A 7 -0.775 -2.236 4.826 1.00 0.00 C +ATOM 125 H LEU A 7 -2.201 -1.155 0.992 1.00 0.00 H +ATOM 126 HA LEU A 7 -0.534 -3.107 2.271 1.00 0.00 H +ATOM 127 HB2 LEU A 7 -3.422 -2.325 2.584 1.00 0.00 H +ATOM 128 HB3 LEU A 7 -2.740 -3.665 3.514 1.00 0.00 H +ATOM 129 HG LEU A 7 -1.763 -0.780 3.597 1.00 0.00 H +ATOM 130 HD11 LEU A 7 -4.006 -1.098 4.599 1.00 0.00 H +ATOM 131 HD12 LEU A 7 -3.380 -2.437 5.585 1.00 0.00 H +ATOM 132 HD13 LEU A 7 -2.791 -0.787 5.854 1.00 0.00 H +ATOM 133 HD21 LEU A 7 -0.973 -3.222 5.249 1.00 0.00 H +ATOM 134 HD22 LEU A 7 0.080 -2.296 4.155 1.00 0.00 H +ATOM 135 HD23 LEU A 7 -0.521 -1.546 5.630 1.00 0.00 H +ATOM 136 N LYS A 8 -2.716 -4.413 0.176 1.00 0.00 N +ATOM 137 CA LYS A 8 -2.930 -5.631 -0.629 1.00 0.00 C +ATOM 138 C LYS A 8 -1.639 -6.169 -1.261 1.00 0.00 C +ATOM 139 O LYS A 8 -1.492 -7.384 -1.349 1.00 0.00 O +ATOM 140 CB LYS A 8 -3.989 -5.413 -1.725 1.00 0.00 C +ATOM 141 CG LYS A 8 -5.424 -5.638 -1.230 1.00 0.00 C +ATOM 142 CD LYS A 8 -6.411 -5.713 -2.404 1.00 0.00 C +ATOM 143 CE LYS A 8 -6.685 -4.341 -3.038 1.00 0.00 C +ATOM 144 NZ LYS A 8 -6.352 -4.311 -4.482 1.00 0.00 N +ATOM 145 H LYS A 8 -3.241 -3.572 -0.051 1.00 0.00 H +ATOM 146 HA LYS A 8 -3.274 -6.422 0.036 1.00 0.00 H +ATOM 147 HB2 LYS A 8 -3.906 -4.405 -2.084 1.00 0.00 H +ATOM 148 HB3 LYS A 8 -3.797 -6.130 -2.525 1.00 0.00 H +ATOM 149 HG2 LYS A 8 -5.464 -6.558 -0.680 1.00 0.00 H +ATOM 150 HG3 LYS A 8 -5.719 -4.846 -0.542 1.00 0.00 H +ATOM 151 HD2 LYS A 8 -6.003 -6.362 -3.154 1.00 0.00 H +ATOM 152 HD3 LYS A 8 -7.356 -6.108 -2.033 1.00 0.00 H +ATOM 153 HE2 LYS A 8 -7.726 -4.108 -2.919 1.00 0.00 H +ATOM 154 HE3 LYS A 8 -6.117 -3.577 -2.500 1.00 0.00 H +ATOM 155 HZ1 LYS A 8 -5.352 -4.135 -4.636 1.00 0.00 H +ATOM 156 HZ2 LYS A 8 -6.602 -5.176 -4.938 1.00 0.00 H +ATOM 157 HZ3 LYS A 8 -6.827 -3.549 -4.942 1.00 0.00 H +ATOM 158 N ASP A 9 -0.694 -5.301 -1.644 1.00 0.00 N +ATOM 159 CA ASP A 9 0.627 -5.715 -2.141 1.00 0.00 C +ATOM 160 C ASP A 9 1.545 -6.280 -1.027 1.00 0.00 C +ATOM 161 O ASP A 9 2.653 -6.733 -1.322 1.00 0.00 O +ATOM 162 CB ASP A 9 1.362 -4.545 -2.833 1.00 0.00 C +ATOM 163 CG ASP A 9 0.631 -3.826 -3.974 1.00 0.00 C +ATOM 164 OD1 ASP A 9 -0.157 -4.486 -4.688 1.00 0.00 O +ATOM 165 OD2 ASP A 9 0.959 -2.631 -4.185 1.00 0.00 O +ATOM 166 H ASP A 9 -0.905 -4.313 -1.586 1.00 0.00 H +ATOM 167 HA ASP A 9 0.482 -6.505 -2.880 1.00 0.00 H +ATOM 168 HB2 ASP A 9 1.582 -3.813 -2.080 1.00 0.00 H +ATOM 169 HB3 ASP A 9 2.279 -4.946 -3.266 1.00 0.00 H +ATOM 170 N GLY A 10 1.135 -6.232 0.250 1.00 0.00 N +ATOM 171 CA GLY A 10 1.917 -6.656 1.417 1.00 0.00 C +ATOM 172 C GLY A 10 2.414 -5.500 2.294 1.00 0.00 C +ATOM 173 O GLY A 10 3.054 -5.736 3.320 1.00 0.00 O +ATOM 174 H GLY A 10 0.200 -5.879 0.438 1.00 0.00 H +ATOM 175 HA2 GLY A 10 1.298 -7.304 2.035 1.00 0.00 H +ATOM 176 HA3 GLY A 10 2.784 -7.233 1.096 1.00 0.00 H +ATOM 177 N GLY A 11 2.142 -4.244 1.916 1.00 0.00 N +ATOM 178 CA GLY A 11 2.643 -3.083 2.643 1.00 0.00 C +ATOM 179 C GLY A 11 4.182 -3.056 2.660 1.00 0.00 C +ATOM 180 O GLY A 11 4.791 -3.197 1.594 1.00 0.00 O +ATOM 181 H GLY A 11 1.623 -4.089 1.059 1.00 0.00 H +ATOM 182 HA2 GLY A 11 2.286 -2.178 2.156 1.00 0.00 H +ATOM 183 HA3 GLY A 11 2.244 -3.115 3.654 1.00 0.00 H +ATOM 184 N PRO A 12 4.842 -2.900 3.832 1.00 0.00 N +ATOM 185 CA PRO A 12 6.302 -2.829 3.917 1.00 0.00 C +ATOM 186 C PRO A 12 7.030 -4.020 3.276 1.00 0.00 C +ATOM 187 O PRO A 12 8.132 -3.843 2.757 1.00 0.00 O +ATOM 188 CB PRO A 12 6.642 -2.717 5.411 1.00 0.00 C +ATOM 189 CG PRO A 12 5.352 -2.223 6.059 1.00 0.00 C +ATOM 190 CD PRO A 12 4.260 -2.809 5.166 1.00 0.00 C +ATOM 191 HA PRO A 12 6.628 -1.916 3.416 1.00 0.00 H +ATOM 192 HB2 PRO A 12 6.925 -3.673 5.809 1.00 0.00 H +ATOM 193 HB3 PRO A 12 7.463 -2.016 5.581 1.00 0.00 H +ATOM 194 HG2 PRO A 12 5.263 -2.588 7.064 1.00 0.00 H +ATOM 195 HG3 PRO A 12 5.314 -1.133 6.017 1.00 0.00 H +ATOM 196 HD2 PRO A 12 3.974 -3.782 5.516 1.00 0.00 H +ATOM 197 HD3 PRO A 12 3.381 -2.165 5.191 1.00 0.00 H +ATOM 198 N SER A 13 6.424 -5.220 3.257 1.00 0.00 N +ATOM 199 CA SER A 13 7.055 -6.413 2.675 1.00 0.00 C +ATOM 200 C SER A 13 7.230 -6.327 1.155 1.00 0.00 C +ATOM 201 O SER A 13 8.109 -6.992 0.615 1.00 0.00 O +ATOM 202 CB SER A 13 6.276 -7.683 3.042 1.00 0.00 C +ATOM 203 OG SER A 13 5.083 -7.810 2.296 1.00 0.00 O +ATOM 204 H SER A 13 5.479 -5.307 3.613 1.00 0.00 H +ATOM 205 HA SER A 13 8.051 -6.506 3.109 1.00 0.00 H +ATOM 206 HB2 SER A 13 6.897 -8.537 2.850 1.00 0.00 H +ATOM 207 HB3 SER A 13 6.031 -7.660 4.105 1.00 0.00 H +ATOM 208 HG SER A 13 5.284 -8.181 1.431 1.00 0.00 H +ATOM 209 N SER A 14 6.424 -5.506 0.464 1.00 0.00 N +ATOM 210 CA SER A 14 6.562 -5.254 -0.977 1.00 0.00 C +ATOM 211 C SER A 14 7.683 -4.260 -1.316 1.00 0.00 C +ATOM 212 O SER A 14 7.958 -4.028 -2.492 1.00 0.00 O +ATOM 213 CB SER A 14 5.232 -4.754 -1.561 1.00 0.00 C +ATOM 214 OG SER A 14 4.689 -5.759 -2.390 1.00 0.00 O +ATOM 215 H SER A 14 5.730 -4.974 0.980 1.00 0.00 H +ATOM 216 HA SER A 14 6.816 -6.193 -1.471 1.00 0.00 H +ATOM 217 HB2 SER A 14 4.548 -4.536 -0.764 1.00 0.00 H +ATOM 218 HB3 SER A 14 5.400 -3.866 -2.170 1.00 0.00 H +ATOM 219 HG SER A 14 3.898 -6.171 -1.941 1.00 0.00 H +ATOM 220 N GLY A 15 8.320 -3.632 -0.318 1.00 0.00 N +ATOM 221 CA GLY A 15 9.452 -2.715 -0.493 1.00 0.00 C +ATOM 222 C GLY A 15 9.088 -1.324 -1.031 1.00 0.00 C +ATOM 223 O GLY A 15 9.745 -0.349 -0.674 1.00 0.00 O +ATOM 224 H GLY A 15 8.043 -3.844 0.636 1.00 0.00 H +ATOM 225 HA2 GLY A 15 9.948 -2.591 0.468 1.00 0.00 H +ATOM 226 HA3 GLY A 15 10.165 -3.167 -1.183 1.00 0.00 H +ATOM 227 N ARG A 16 8.043 -1.206 -1.866 1.00 0.00 N +ATOM 228 CA ARG A 16 7.509 0.078 -2.349 1.00 0.00 C +ATOM 229 C ARG A 16 6.942 0.905 -1.177 1.00 0.00 C +ATOM 230 O ARG A 16 6.183 0.348 -0.380 1.00 0.00 O +ATOM 231 CB ARG A 16 6.426 -0.188 -3.413 1.00 0.00 C +ATOM 232 CG ARG A 16 5.953 1.107 -4.102 1.00 0.00 C +ATOM 233 CD ARG A 16 4.797 0.884 -5.083 1.00 0.00 C +ATOM 234 NE ARG A 16 5.176 -0.019 -6.186 1.00 0.00 N +ATOM 235 CZ ARG A 16 4.649 -1.200 -6.493 1.00 0.00 C +ATOM 236 NH1 ARG A 16 3.626 -1.720 -5.848 1.00 0.00 N +ATOM 237 NH2 ARG A 16 5.165 -1.891 -7.482 1.00 0.00 N +ATOM 238 H ARG A 16 7.615 -2.078 -2.159 1.00 0.00 H +ATOM 239 HA ARG A 16 8.337 0.615 -2.807 1.00 0.00 H +ATOM 240 HB2 ARG A 16 6.828 -0.848 -4.157 1.00 0.00 H +ATOM 241 HB3 ARG A 16 5.573 -0.680 -2.944 1.00 0.00 H +ATOM 242 HG2 ARG A 16 5.630 1.797 -3.346 1.00 0.00 H +ATOM 243 HG3 ARG A 16 6.793 1.555 -4.637 1.00 0.00 H +ATOM 244 HD2 ARG A 16 3.970 0.454 -4.552 1.00 0.00 H +ATOM 245 HD3 ARG A 16 4.515 1.851 -5.503 1.00 0.00 H +ATOM 246 HE ARG A 16 5.943 0.289 -6.761 1.00 0.00 H +ATOM 247 HH11 ARG A 16 3.180 -1.223 -5.093 1.00 0.00 H +ATOM 248 HH12 ARG A 16 3.231 -2.612 -6.088 1.00 0.00 H +ATOM 249 HH21 ARG A 16 5.951 -1.541 -8.001 1.00 0.00 H +ATOM 250 HH22 ARG A 16 4.778 -2.789 -7.706 1.00 0.00 H +ATOM 251 N PRO A 17 7.224 2.222 -1.082 1.00 0.00 N +ATOM 252 CA PRO A 17 6.670 3.081 -0.030 1.00 0.00 C +ATOM 253 C PRO A 17 5.138 3.240 -0.131 1.00 0.00 C +ATOM 254 O PRO A 17 4.571 3.021 -1.206 1.00 0.00 O +ATOM 255 CB PRO A 17 7.384 4.430 -0.195 1.00 0.00 C +ATOM 256 CG PRO A 17 7.755 4.460 -1.675 1.00 0.00 C +ATOM 257 CD PRO A 17 8.084 2.998 -1.964 1.00 0.00 C +ATOM 258 HA PRO A 17 6.923 2.656 0.942 1.00 0.00 H +ATOM 259 HB2 PRO A 17 6.729 5.243 0.053 1.00 0.00 H +ATOM 260 HB3 PRO A 17 8.293 4.437 0.408 1.00 0.00 H +ATOM 261 HG2 PRO A 17 6.932 4.798 -2.274 1.00 0.00 H +ATOM 262 HG3 PRO A 17 8.607 5.114 -1.870 1.00 0.00 H +ATOM 263 HD2 PRO A 17 7.877 2.763 -2.990 1.00 0.00 H +ATOM 264 HD3 PRO A 17 9.127 2.798 -1.720 1.00 0.00 H +ATOM 265 N PRO A 18 4.461 3.639 0.965 1.00 0.00 N +ATOM 266 CA PRO A 18 3.015 3.863 0.981 1.00 0.00 C +ATOM 267 C PRO A 18 2.598 5.121 0.193 1.00 0.00 C +ATOM 268 O PRO A 18 3.428 5.993 -0.068 1.00 0.00 O +ATOM 269 CB PRO A 18 2.645 3.981 2.465 1.00 0.00 C +ATOM 270 CG PRO A 18 3.916 4.525 3.112 1.00 0.00 C +ATOM 271 CD PRO A 18 5.026 3.878 2.287 1.00 0.00 C +ATOM 272 HA PRO A 18 2.518 2.995 0.551 1.00 0.00 H +ATOM 273 HB2 PRO A 18 1.825 4.659 2.602 1.00 0.00 H +ATOM 274 HB3 PRO A 18 2.430 2.993 2.869 1.00 0.00 H +ATOM 275 HG2 PRO A 18 3.957 5.595 3.042 1.00 0.00 H +ATOM 276 HG3 PRO A 18 3.983 4.249 4.165 1.00 0.00 H +ATOM 277 HD2 PRO A 18 5.870 4.536 2.218 1.00 0.00 H +ATOM 278 HD3 PRO A 18 5.309 2.925 2.736 1.00 0.00 H +ATOM 279 N PRO A 19 1.304 5.247 -0.167 1.00 0.00 N +ATOM 280 CA PRO A 19 0.774 6.401 -0.902 1.00 0.00 C +ATOM 281 C PRO A 19 0.569 7.659 -0.043 1.00 0.00 C +ATOM 282 O PRO A 19 0.515 8.755 -0.597 1.00 0.00 O +ATOM 283 CB PRO A 19 -0.568 5.927 -1.467 1.00 0.00 C +ATOM 284 CG PRO A 19 -1.027 4.877 -0.459 1.00 0.00 C +ATOM 285 CD PRO A 19 0.279 4.224 -0.018 1.00 0.00 C +ATOM 286 HA PRO A 19 1.443 6.655 -1.727 1.00 0.00 H +ATOM 287 HB2 PRO A 19 -1.269 6.738 -1.523 1.00 0.00 H +ATOM 288 HB3 PRO A 19 -0.411 5.458 -2.438 1.00 0.00 H +ATOM 289 HG2 PRO A 19 -1.528 5.334 0.372 1.00 0.00 H +ATOM 290 HG3 PRO A 19 -1.691 4.148 -0.918 1.00 0.00 H +ATOM 291 HD2 PRO A 19 0.212 3.908 1.005 1.00 0.00 H +ATOM 292 HD3 PRO A 19 0.512 3.395 -0.684 1.00 0.00 H +ATOM 293 N SER A 20 0.445 7.509 1.283 1.00 0.00 N +ATOM 294 CA SER A 20 0.349 8.586 2.279 1.00 0.00 C +ATOM 295 C SER A 20 1.387 8.402 3.380 1.00 0.00 C +ATOM 296 O SER A 20 1.887 9.446 3.847 1.00 0.00 O +ATOM 297 CB SER A 20 -1.064 8.699 2.867 1.00 0.00 C +ATOM 298 OG SER A 20 -1.468 7.515 3.527 1.00 0.00 O +ATOM 299 OXT SER A 20 1.609 7.229 3.761 1.00 0.00 O +ATOM 300 H SER A 20 0.533 6.584 1.677 1.00 0.00 H +ATOM 301 HA SER A 20 0.581 9.535 1.797 1.00 0.00 H +ATOM 302 HB2 SER A 20 -1.081 9.509 3.570 1.00 0.00 H +ATOM 303 HB3 SER A 20 -1.771 8.923 2.068 1.00 0.00 H +ATOM 304 HG SER A 20 -0.877 7.386 4.279 1.00 0.00 H +TER 305 SER A 20 +ENDMDL +MODEL 4 +ATOM 1 N ASN A 1 -7.996 5.298 -0.779 1.00 0.00 N +ATOM 2 CA ASN A 1 -7.990 4.067 -1.611 1.00 0.00 C +ATOM 3 C ASN A 1 -6.595 3.515 -1.890 1.00 0.00 C +ATOM 4 O ASN A 1 -6.409 2.326 -1.667 1.00 0.00 O +ATOM 5 CB ASN A 1 -8.817 4.236 -2.891 1.00 0.00 C +ATOM 6 CG ASN A 1 -10.260 4.485 -2.482 1.00 0.00 C +ATOM 7 OD1 ASN A 1 -10.595 5.590 -2.090 1.00 0.00 O +ATOM 8 ND2 ASN A 1 -11.097 3.465 -2.420 1.00 0.00 N +ATOM 9 H1 ASN A 1 -7.499 5.145 0.089 1.00 0.00 H +ATOM 10 H2 ASN A 1 -7.580 6.071 -1.279 1.00 0.00 H +ATOM 11 H3 ASN A 1 -8.957 5.549 -0.571 1.00 0.00 H +ATOM 12 HA ASN A 1 -8.483 3.285 -1.032 1.00 0.00 H +ATOM 13 HB2 ASN A 1 -8.449 5.070 -3.456 1.00 0.00 H +ATOM 14 HB3 ASN A 1 -8.756 3.334 -3.502 1.00 0.00 H +ATOM 15 HD21 ASN A 1 -10.855 2.524 -2.688 1.00 0.00 H +ATOM 16 HD22 ASN A 1 -12.028 3.700 -2.110 1.00 0.00 H +ATOM 17 N LEU A 2 -5.616 4.322 -2.330 1.00 0.00 N +ATOM 18 CA LEU A 2 -4.255 3.853 -2.649 1.00 0.00 C +ATOM 19 C LEU A 2 -3.609 2.984 -1.550 1.00 0.00 C +ATOM 20 O LEU A 2 -2.969 1.976 -1.846 1.00 0.00 O +ATOM 21 CB LEU A 2 -3.364 5.074 -2.976 1.00 0.00 C +ATOM 22 CG LEU A 2 -3.035 5.287 -4.464 1.00 0.00 C +ATOM 23 CD1 LEU A 2 -2.298 4.086 -5.067 1.00 0.00 C +ATOM 24 CD2 LEU A 2 -4.283 5.609 -5.288 1.00 0.00 C +ATOM 25 H LEU A 2 -5.808 5.284 -2.567 1.00 0.00 H +ATOM 26 HA LEU A 2 -4.324 3.212 -3.525 1.00 0.00 H +ATOM 27 HB2 LEU A 2 -3.868 5.953 -2.622 1.00 0.00 H +ATOM 28 HB3 LEU A 2 -2.413 4.965 -2.461 1.00 0.00 H +ATOM 29 HG LEU A 2 -2.366 6.146 -4.524 1.00 0.00 H +ATOM 30 HD11 LEU A 2 -1.513 3.750 -4.388 1.00 0.00 H +ATOM 31 HD12 LEU A 2 -2.985 3.262 -5.255 1.00 0.00 H +ATOM 32 HD13 LEU A 2 -1.840 4.380 -6.010 1.00 0.00 H +ATOM 33 HD21 LEU A 2 -4.988 4.779 -5.260 1.00 0.00 H +ATOM 34 HD22 LEU A 2 -4.758 6.509 -4.897 1.00 0.00 H +ATOM 35 HD23 LEU A 2 -3.993 5.793 -6.323 1.00 0.00 H +ATOM 36 N TYR A 3 -3.829 3.342 -0.280 1.00 0.00 N +ATOM 37 CA TYR A 3 -3.352 2.587 0.881 1.00 0.00 C +ATOM 38 C TYR A 3 -3.885 1.142 0.933 1.00 0.00 C +ATOM 39 O TYR A 3 -3.182 0.255 1.410 1.00 0.00 O +ATOM 40 CB TYR A 3 -3.714 3.350 2.166 1.00 0.00 C +ATOM 41 CG TYR A 3 -2.571 3.426 3.153 1.00 0.00 C +ATOM 42 CD1 TYR A 3 -2.238 2.307 3.939 1.00 0.00 C +ATOM 43 CD2 TYR A 3 -1.826 4.614 3.277 1.00 0.00 C +ATOM 44 CE1 TYR A 3 -1.172 2.377 4.854 1.00 0.00 C +ATOM 45 CE2 TYR A 3 -0.758 4.692 4.190 1.00 0.00 C +ATOM 46 CZ TYR A 3 -0.434 3.573 4.988 1.00 0.00 C +ATOM 47 OH TYR A 3 0.564 3.651 5.909 1.00 0.00 O +ATOM 48 H TYR A 3 -4.312 4.211 -0.115 1.00 0.00 H +ATOM 49 HA TYR A 3 -2.266 2.531 0.815 1.00 0.00 H +ATOM 50 HB2 TYR A 3 -4.003 4.349 1.900 1.00 0.00 H +ATOM 51 HB3 TYR A 3 -4.571 2.877 2.649 1.00 0.00 H +ATOM 52 HD1 TYR A 3 -2.810 1.398 3.838 1.00 0.00 H +ATOM 53 HD2 TYR A 3 -2.070 5.479 2.676 1.00 0.00 H +ATOM 54 HE1 TYR A 3 -0.916 1.531 5.472 1.00 0.00 H +ATOM 55 HE2 TYR A 3 -0.198 5.613 4.266 1.00 0.00 H +ATOM 56 HH TYR A 3 0.792 4.562 6.104 1.00 0.00 H +ATOM 57 N ILE A 4 -5.099 0.891 0.414 1.00 0.00 N +ATOM 58 CA ILE A 4 -5.705 -0.444 0.348 1.00 0.00 C +ATOM 59 C ILE A 4 -4.882 -1.332 -0.589 1.00 0.00 C +ATOM 60 O ILE A 4 -4.466 -2.411 -0.181 1.00 0.00 O +ATOM 61 CB ILE A 4 -7.191 -0.380 -0.086 1.00 0.00 C +ATOM 62 CG1 ILE A 4 -8.038 0.622 0.737 1.00 0.00 C +ATOM 63 CG2 ILE A 4 -7.836 -1.778 -0.048 1.00 0.00 C +ATOM 64 CD1 ILE A 4 -8.051 0.390 2.254 1.00 0.00 C +ATOM 65 H ILE A 4 -5.574 1.642 -0.074 1.00 0.00 H +ATOM 66 HA ILE A 4 -5.657 -0.892 1.341 1.00 0.00 H +ATOM 67 HB ILE A 4 -7.230 -0.049 -1.125 1.00 0.00 H +ATOM 68 HG12 ILE A 4 -7.652 1.607 0.557 1.00 0.00 H +ATOM 69 HG13 ILE A 4 -9.066 0.590 0.375 1.00 0.00 H +ATOM 70 HG21 ILE A 4 -7.351 -2.438 -0.767 1.00 0.00 H +ATOM 71 HG22 ILE A 4 -7.744 -2.214 0.948 1.00 0.00 H +ATOM 72 HG23 ILE A 4 -8.891 -1.708 -0.312 1.00 0.00 H +ATOM 73 HD11 ILE A 4 -8.463 -0.592 2.485 1.00 0.00 H +ATOM 74 HD12 ILE A 4 -7.043 0.470 2.659 1.00 0.00 H +ATOM 75 HD13 ILE A 4 -8.674 1.150 2.725 1.00 0.00 H +ATOM 76 N GLN A 5 -4.600 -0.857 -1.811 1.00 0.00 N +ATOM 77 CA GLN A 5 -3.712 -1.519 -2.775 1.00 0.00 C +ATOM 78 C GLN A 5 -2.314 -1.759 -2.183 1.00 0.00 C +ATOM 79 O GLN A 5 -1.803 -2.878 -2.255 1.00 0.00 O +ATOM 80 CB GLN A 5 -3.634 -0.674 -4.062 1.00 0.00 C +ATOM 81 CG GLN A 5 -4.792 -0.953 -5.031 1.00 0.00 C +ATOM 82 CD GLN A 5 -4.542 -2.214 -5.853 1.00 0.00 C +ATOM 83 OE1 GLN A 5 -4.848 -3.320 -5.436 1.00 0.00 O +ATOM 84 NE2 GLN A 5 -3.968 -2.093 -7.036 1.00 0.00 N +ATOM 85 H GLN A 5 -4.948 0.063 -2.038 1.00 0.00 H +ATOM 86 HA GLN A 5 -4.122 -2.500 -3.019 1.00 0.00 H +ATOM 87 HB2 GLN A 5 -3.656 0.364 -3.792 1.00 0.00 H +ATOM 88 HB3 GLN A 5 -2.694 -0.880 -4.579 1.00 0.00 H +ATOM 89 HG2 GLN A 5 -5.696 -1.078 -4.467 1.00 0.00 H +ATOM 90 HG3 GLN A 5 -4.898 -0.106 -5.710 1.00 0.00 H +ATOM 91 HE21 GLN A 5 -3.693 -1.205 -7.419 1.00 0.00 H +ATOM 92 HE22 GLN A 5 -3.810 -2.965 -7.512 1.00 0.00 H +ATOM 93 N TRP A 6 -1.713 -0.734 -1.561 1.00 0.00 N +ATOM 94 CA TRP A 6 -0.400 -0.841 -0.917 1.00 0.00 C +ATOM 95 C TRP A 6 -0.353 -1.931 0.171 1.00 0.00 C +ATOM 96 O TRP A 6 0.567 -2.757 0.175 1.00 0.00 O +ATOM 97 CB TRP A 6 0.005 0.531 -0.361 1.00 0.00 C +ATOM 98 CG TRP A 6 1.372 0.565 0.247 1.00 0.00 C +ATOM 99 CD1 TRP A 6 2.532 0.625 -0.442 1.00 0.00 C +ATOM 100 CD2 TRP A 6 1.747 0.483 1.657 1.00 0.00 C +ATOM 101 NE1 TRP A 6 3.594 0.565 0.438 1.00 0.00 N +ATOM 102 CE2 TRP A 6 3.169 0.480 1.743 1.00 0.00 C +ATOM 103 CE3 TRP A 6 1.032 0.393 2.872 1.00 0.00 C +ATOM 104 CZ2 TRP A 6 3.853 0.395 2.965 1.00 0.00 C +ATOM 105 CZ3 TRP A 6 1.707 0.293 4.104 1.00 0.00 C +ATOM 106 CH2 TRP A 6 3.112 0.296 4.154 1.00 0.00 C +ATOM 107 H TRP A 6 -2.186 0.167 -1.566 1.00 0.00 H +ATOM 108 HA TRP A 6 0.329 -1.126 -1.676 1.00 0.00 H +ATOM 109 HB2 TRP A 6 -0.024 1.242 -1.164 1.00 0.00 H +ATOM 110 HB3 TRP A 6 -0.716 0.838 0.395 1.00 0.00 H +ATOM 111 HD1 TRP A 6 2.616 0.684 -1.518 1.00 0.00 H +ATOM 112 HE1 TRP A 6 4.579 0.565 0.164 1.00 0.00 H +ATOM 113 HE3 TRP A 6 -0.046 0.398 2.841 1.00 0.00 H +ATOM 114 HZ2 TRP A 6 4.933 0.389 2.975 1.00 0.00 H +ATOM 115 HZ3 TRP A 6 1.142 0.218 5.022 1.00 0.00 H +ATOM 116 HH2 TRP A 6 3.621 0.223 5.106 1.00 0.00 H +ATOM 117 N LEU A 7 -1.360 -1.961 1.060 1.00 0.00 N +ATOM 118 CA LEU A 7 -1.529 -3.019 2.059 1.00 0.00 C +ATOM 119 C LEU A 7 -1.819 -4.386 1.425 1.00 0.00 C +ATOM 120 O LEU A 7 -1.263 -5.376 1.896 1.00 0.00 O +ATOM 121 CB LEU A 7 -2.645 -2.652 3.058 1.00 0.00 C +ATOM 122 CG LEU A 7 -2.265 -1.546 4.060 1.00 0.00 C +ATOM 123 CD1 LEU A 7 -3.504 -1.129 4.860 1.00 0.00 C +ATOM 124 CD2 LEU A 7 -1.186 -1.989 5.054 1.00 0.00 C +ATOM 125 H LEU A 7 -2.062 -1.224 1.020 1.00 0.00 H +ATOM 126 HA LEU A 7 -0.594 -3.131 2.603 1.00 0.00 H +ATOM 127 HB2 LEU A 7 -3.499 -2.320 2.500 1.00 0.00 H +ATOM 128 HB3 LEU A 7 -2.915 -3.543 3.627 1.00 0.00 H +ATOM 129 HG LEU A 7 -1.898 -0.680 3.518 1.00 0.00 H +ATOM 130 HD11 LEU A 7 -4.273 -0.762 4.181 1.00 0.00 H +ATOM 131 HD12 LEU A 7 -3.892 -1.977 5.422 1.00 0.00 H +ATOM 132 HD13 LEU A 7 -3.243 -0.331 5.557 1.00 0.00 H +ATOM 133 HD21 LEU A 7 -1.516 -2.875 5.597 1.00 0.00 H +ATOM 134 HD22 LEU A 7 -0.258 -2.212 4.531 1.00 0.00 H +ATOM 135 HD23 LEU A 7 -0.990 -1.188 5.767 1.00 0.00 H +ATOM 136 N LYS A 8 -2.636 -4.457 0.360 1.00 0.00 N +ATOM 137 CA LYS A 8 -3.000 -5.710 -0.323 1.00 0.00 C +ATOM 138 C LYS A 8 -1.774 -6.506 -0.772 1.00 0.00 C +ATOM 139 O LYS A 8 -1.764 -7.728 -0.650 1.00 0.00 O +ATOM 140 CB LYS A 8 -3.907 -5.437 -1.541 1.00 0.00 C +ATOM 141 CG LYS A 8 -4.842 -6.624 -1.830 1.00 0.00 C +ATOM 142 CD LYS A 8 -6.265 -6.337 -1.328 1.00 0.00 C +ATOM 143 CE LYS A 8 -7.114 -7.612 -1.287 1.00 0.00 C +ATOM 144 NZ LYS A 8 -6.875 -8.381 -0.042 1.00 0.00 N +ATOM 145 H LYS A 8 -3.089 -3.595 0.056 1.00 0.00 H +ATOM 146 HA LYS A 8 -3.534 -6.330 0.396 1.00 0.00 H +ATOM 147 HB2 LYS A 8 -4.501 -4.566 -1.344 1.00 0.00 H +ATOM 148 HB3 LYS A 8 -3.287 -5.248 -2.418 1.00 0.00 H +ATOM 149 HG2 LYS A 8 -4.871 -6.798 -2.888 1.00 0.00 H +ATOM 150 HG3 LYS A 8 -4.454 -7.529 -1.364 1.00 0.00 H +ATOM 151 HD2 LYS A 8 -6.209 -5.923 -0.340 1.00 0.00 H +ATOM 152 HD3 LYS A 8 -6.730 -5.625 -2.013 1.00 0.00 H +ATOM 153 HE2 LYS A 8 -8.151 -7.343 -1.337 1.00 0.00 H +ATOM 154 HE3 LYS A 8 -6.877 -8.220 -2.164 1.00 0.00 H +ATOM 155 HZ1 LYS A 8 -5.889 -8.591 0.053 1.00 0.00 H +ATOM 156 HZ2 LYS A 8 -7.168 -7.840 0.762 1.00 0.00 H +ATOM 157 HZ3 LYS A 8 -7.394 -9.248 -0.055 1.00 0.00 H +ATOM 158 N ASP A 9 -0.756 -5.802 -1.272 1.00 0.00 N +ATOM 159 CA ASP A 9 0.519 -6.369 -1.719 1.00 0.00 C +ATOM 160 C ASP A 9 1.466 -6.750 -0.552 1.00 0.00 C +ATOM 161 O ASP A 9 2.432 -7.481 -0.764 1.00 0.00 O +ATOM 162 CB ASP A 9 1.147 -5.356 -2.691 1.00 0.00 C +ATOM 163 CG ASP A 9 2.157 -5.999 -3.643 1.00 0.00 C +ATOM 164 OD1 ASP A 9 1.687 -6.708 -4.559 1.00 0.00 O +ATOM 165 OD2 ASP A 9 3.367 -5.733 -3.478 1.00 0.00 O +ATOM 166 H ASP A 9 -0.906 -4.806 -1.394 1.00 0.00 H +ATOM 167 HA ASP A 9 0.309 -7.281 -2.280 1.00 0.00 H +ATOM 168 HB2 ASP A 9 0.365 -4.908 -3.272 1.00 0.00 H +ATOM 169 HB3 ASP A 9 1.602 -4.539 -2.136 1.00 0.00 H +ATOM 170 N GLY A 10 1.166 -6.322 0.686 1.00 0.00 N +ATOM 171 CA GLY A 10 1.940 -6.628 1.899 1.00 0.00 C +ATOM 172 C GLY A 10 2.455 -5.411 2.687 1.00 0.00 C +ATOM 173 O GLY A 10 3.258 -5.576 3.605 1.00 0.00 O +ATOM 174 H GLY A 10 0.283 -5.838 0.808 1.00 0.00 H +ATOM 175 HA2 GLY A 10 1.308 -7.208 2.569 1.00 0.00 H +ATOM 176 HA3 GLY A 10 2.799 -7.243 1.641 1.00 0.00 H +ATOM 177 N GLY A 11 2.025 -4.190 2.349 1.00 0.00 N +ATOM 178 CA GLY A 11 2.501 -2.933 2.929 1.00 0.00 C +ATOM 179 C GLY A 11 4.035 -2.809 2.947 1.00 0.00 C +ATOM 180 O GLY A 11 4.636 -2.640 1.883 1.00 0.00 O +ATOM 181 H GLY A 11 1.426 -4.116 1.535 1.00 0.00 H +ATOM 182 HA2 GLY A 11 2.113 -2.118 2.323 1.00 0.00 H +ATOM 183 HA3 GLY A 11 2.088 -2.828 3.930 1.00 0.00 H +ATOM 184 N PRO A 12 4.714 -2.887 4.112 1.00 0.00 N +ATOM 185 CA PRO A 12 6.177 -2.830 4.177 1.00 0.00 C +ATOM 186 C PRO A 12 6.894 -3.885 3.322 1.00 0.00 C +ATOM 187 O PRO A 12 8.009 -3.632 2.870 1.00 0.00 O +ATOM 188 CB PRO A 12 6.543 -2.996 5.656 1.00 0.00 C +ATOM 189 CG PRO A 12 5.275 -2.581 6.397 1.00 0.00 C +ATOM 190 CD PRO A 12 4.158 -3.015 5.451 1.00 0.00 C +ATOM 191 HA PRO A 12 6.493 -1.842 3.843 1.00 0.00 H +ATOM 192 HB2 PRO A 12 6.796 -4.015 5.874 1.00 0.00 H +ATOM 193 HB3 PRO A 12 7.390 -2.365 5.930 1.00 0.00 H +ATOM 194 HG2 PRO A 12 5.198 -3.086 7.340 1.00 0.00 H +ATOM 195 HG3 PRO A 12 5.255 -1.495 6.510 1.00 0.00 H +ATOM 196 HD2 PRO A 12 3.876 -4.032 5.645 1.00 0.00 H +ATOM 197 HD3 PRO A 12 3.286 -2.377 5.597 1.00 0.00 H +ATOM 198 N SER A 13 6.272 -5.048 3.067 1.00 0.00 N +ATOM 199 CA SER A 13 6.859 -6.106 2.234 1.00 0.00 C +ATOM 200 C SER A 13 6.522 -5.983 0.737 1.00 0.00 C +ATOM 201 O SER A 13 6.868 -6.883 -0.022 1.00 0.00 O +ATOM 202 CB SER A 13 6.517 -7.490 2.809 1.00 0.00 C +ATOM 203 OG SER A 13 5.152 -7.809 2.665 1.00 0.00 O +ATOM 204 H SER A 13 5.336 -5.211 3.432 1.00 0.00 H +ATOM 205 HA SER A 13 7.945 -6.021 2.301 1.00 0.00 H +ATOM 206 HB2 SER A 13 7.100 -8.230 2.296 1.00 0.00 H +ATOM 207 HB3 SER A 13 6.776 -7.504 3.869 1.00 0.00 H +ATOM 208 HG SER A 13 4.960 -7.945 1.731 1.00 0.00 H +ATOM 209 N SER A 14 5.879 -4.888 0.300 1.00 0.00 N +ATOM 210 CA SER A 14 5.483 -4.641 -1.100 1.00 0.00 C +ATOM 211 C SER A 14 6.594 -4.035 -1.979 1.00 0.00 C +ATOM 212 O SER A 14 6.388 -3.818 -3.171 1.00 0.00 O +ATOM 213 CB SER A 14 4.291 -3.674 -1.143 1.00 0.00 C +ATOM 214 OG SER A 14 3.244 -4.095 -0.294 1.00 0.00 O +ATOM 215 H SER A 14 5.551 -4.209 0.982 1.00 0.00 H +ATOM 216 HA SER A 14 5.168 -5.582 -1.554 1.00 0.00 H +ATOM 217 HB2 SER A 14 4.621 -2.702 -0.832 1.00 0.00 H +ATOM 218 HB3 SER A 14 3.920 -3.612 -2.167 1.00 0.00 H +ATOM 219 HG SER A 14 2.497 -3.486 -0.373 1.00 0.00 H +ATOM 220 N GLY A 15 7.760 -3.685 -1.413 1.00 0.00 N +ATOM 221 CA GLY A 15 8.865 -3.074 -2.168 1.00 0.00 C +ATOM 222 C GLY A 15 8.636 -1.615 -2.597 1.00 0.00 C +ATOM 223 O GLY A 15 9.329 -1.131 -3.490 1.00 0.00 O +ATOM 224 H GLY A 15 7.882 -3.900 -0.435 1.00 0.00 H +ATOM 225 HA2 GLY A 15 9.772 -3.108 -1.566 1.00 0.00 H +ATOM 226 HA3 GLY A 15 9.044 -3.662 -3.070 1.00 0.00 H +ATOM 227 N ARG A 16 7.674 -0.910 -1.982 1.00 0.00 N +ATOM 228 CA ARG A 16 7.291 0.476 -2.303 1.00 0.00 C +ATOM 229 C ARG A 16 6.926 1.243 -1.019 1.00 0.00 C +ATOM 230 O ARG A 16 6.299 0.641 -0.143 1.00 0.00 O +ATOM 231 CB ARG A 16 6.095 0.409 -3.275 1.00 0.00 C +ATOM 232 CG ARG A 16 5.718 1.773 -3.872 1.00 0.00 C +ATOM 233 CD ARG A 16 4.496 1.668 -4.787 1.00 0.00 C +ATOM 234 NE ARG A 16 4.170 2.979 -5.381 1.00 0.00 N +ATOM 235 CZ ARG A 16 4.620 3.482 -6.525 1.00 0.00 C +ATOM 236 NH1 ARG A 16 5.433 2.811 -7.310 1.00 0.00 N +ATOM 237 NH2 ARG A 16 4.260 4.687 -6.902 1.00 0.00 N +ATOM 238 H ARG A 16 7.165 -1.374 -1.242 1.00 0.00 H +ATOM 239 HA ARG A 16 8.134 0.962 -2.796 1.00 0.00 H +ATOM 240 HB2 ARG A 16 6.346 -0.256 -4.078 1.00 0.00 H +ATOM 241 HB3 ARG A 16 5.232 -0.006 -2.753 1.00 0.00 H +ATOM 242 HG2 ARG A 16 5.497 2.454 -3.073 1.00 0.00 H +ATOM 243 HG3 ARG A 16 6.563 2.153 -4.447 1.00 0.00 H +ATOM 244 HD2 ARG A 16 4.704 0.968 -5.573 1.00 0.00 H +ATOM 245 HD3 ARG A 16 3.644 1.325 -4.197 1.00 0.00 H +ATOM 246 HE ARG A 16 3.562 3.570 -4.839 1.00 0.00 H +ATOM 247 HH11 ARG A 16 5.714 1.890 -7.023 1.00 0.00 H +ATOM 248 HH12 ARG A 16 5.768 3.197 -8.173 1.00 0.00 H +ATOM 249 HH21 ARG A 16 3.648 5.240 -6.327 1.00 0.00 H +ATOM 250 HH22 ARG A 16 4.602 5.065 -7.766 1.00 0.00 H +ATOM 251 N PRO A 17 7.244 2.550 -0.887 1.00 0.00 N +ATOM 252 CA PRO A 17 6.834 3.351 0.272 1.00 0.00 C +ATOM 253 C PRO A 17 5.302 3.529 0.364 1.00 0.00 C +ATOM 254 O PRO A 17 4.613 3.423 -0.657 1.00 0.00 O +ATOM 255 CB PRO A 17 7.546 4.701 0.109 1.00 0.00 C +ATOM 256 CG PRO A 17 7.773 4.807 -1.398 1.00 0.00 C +ATOM 257 CD PRO A 17 8.043 3.359 -1.797 1.00 0.00 C +ATOM 258 HA PRO A 17 7.191 2.864 1.180 1.00 0.00 H +ATOM 259 HB2 PRO A 17 6.929 5.505 0.461 1.00 0.00 H +ATOM 260 HB3 PRO A 17 8.509 4.667 0.619 1.00 0.00 H +ATOM 261 HG2 PRO A 17 6.902 5.190 -1.895 1.00 0.00 H +ATOM 262 HG3 PRO A 17 8.614 5.459 -1.638 1.00 0.00 H +ATOM 263 HD2 PRO A 17 7.743 3.188 -2.813 1.00 0.00 H +ATOM 264 HD3 PRO A 17 9.099 3.130 -1.650 1.00 0.00 H +ATOM 265 N PRO A 18 4.761 3.830 1.562 1.00 0.00 N +ATOM 266 CA PRO A 18 3.330 4.041 1.763 1.00 0.00 C +ATOM 267 C PRO A 18 2.857 5.363 1.124 1.00 0.00 C +ATOM 268 O PRO A 18 3.561 6.372 1.215 1.00 0.00 O +ATOM 269 CB PRO A 18 3.122 4.052 3.280 1.00 0.00 C +ATOM 270 CG PRO A 18 4.467 4.528 3.826 1.00 0.00 C +ATOM 271 CD PRO A 18 5.475 3.963 2.826 1.00 0.00 C +ATOM 272 HA PRO A 18 2.789 3.199 1.338 1.00 0.00 H +ATOM 273 HB2 PRO A 18 2.336 4.730 3.554 1.00 0.00 H +ATOM 274 HB3 PRO A 18 2.928 3.039 3.629 1.00 0.00 H +ATOM 275 HG2 PRO A 18 4.513 5.600 3.853 1.00 0.00 H +ATOM 276 HG3 PRO A 18 4.649 4.156 4.834 1.00 0.00 H +ATOM 277 HD2 PRO A 18 6.306 4.633 2.716 1.00 0.00 H +ATOM 278 HD3 PRO A 18 5.808 2.979 3.157 1.00 0.00 H +ATOM 279 N PRO A 19 1.664 5.391 0.501 1.00 0.00 N +ATOM 280 CA PRO A 19 1.089 6.605 -0.071 1.00 0.00 C +ATOM 281 C PRO A 19 0.480 7.494 1.027 1.00 0.00 C +ATOM 282 O PRO A 19 -0.248 6.998 1.889 1.00 0.00 O +ATOM 283 CB PRO A 19 0.030 6.099 -1.056 1.00 0.00 C +ATOM 284 CG PRO A 19 -0.452 4.787 -0.431 1.00 0.00 C +ATOM 285 CD PRO A 19 0.776 4.254 0.301 1.00 0.00 C +ATOM 286 HA PRO A 19 1.850 7.167 -0.612 1.00 0.00 H +ATOM 287 HB2 PRO A 19 -0.777 6.800 -1.143 1.00 0.00 H +ATOM 288 HB3 PRO A 19 0.507 5.887 -2.015 1.00 0.00 H +ATOM 289 HG2 PRO A 19 -1.258 4.965 0.255 1.00 0.00 H +ATOM 290 HG3 PRO A 19 -0.783 4.076 -1.188 1.00 0.00 H +ATOM 291 HD2 PRO A 19 0.491 3.835 1.247 1.00 0.00 H +ATOM 292 HD3 PRO A 19 1.276 3.508 -0.318 1.00 0.00 H +ATOM 293 N SER A 20 0.773 8.801 0.994 1.00 0.00 N +ATOM 294 CA SER A 20 0.156 9.787 1.896 1.00 0.00 C +ATOM 295 C SER A 20 -1.215 10.283 1.430 1.00 0.00 C +ATOM 296 O SER A 20 -1.579 10.082 0.257 1.00 0.00 O +ATOM 297 CB SER A 20 1.058 11.002 2.110 1.00 0.00 C +ATOM 298 OG SER A 20 0.393 11.759 3.099 1.00 0.00 O +ATOM 299 OXT SER A 20 -1.809 10.968 2.306 1.00 0.00 O +ATOM 300 H SER A 20 1.346 9.144 0.240 1.00 0.00 H +ATOM 301 HA SER A 20 -0.001 9.315 2.867 1.00 0.00 H +ATOM 302 HB2 SER A 20 2.029 10.699 2.452 1.00 0.00 H +ATOM 303 HB3 SER A 20 1.131 11.580 1.186 1.00 0.00 H +ATOM 304 HG SER A 20 -0.584 11.562 2.923 1.00 0.00 H +TER 305 SER A 20 +ENDMDL +MODEL 5 +ATOM 1 N ASN A 1 -8.175 6.595 -1.658 1.00 0.00 N +ATOM 2 CA ASN A 1 -7.203 6.342 -0.567 1.00 0.00 C +ATOM 3 C ASN A 1 -5.868 5.761 -1.012 1.00 0.00 C +ATOM 4 O ASN A 1 -4.867 6.207 -0.471 1.00 0.00 O +ATOM 5 CB ASN A 1 -7.789 5.475 0.551 1.00 0.00 C +ATOM 6 CG ASN A 1 -8.492 6.367 1.553 1.00 0.00 C +ATOM 7 OD1 ASN A 1 -9.561 6.874 1.264 1.00 0.00 O +ATOM 8 ND2 ASN A 1 -7.884 6.637 2.695 1.00 0.00 N +ATOM 9 H1 ASN A 1 -7.762 7.177 -2.374 1.00 0.00 H +ATOM 10 H2 ASN A 1 -8.486 5.725 -2.069 1.00 0.00 H +ATOM 11 H3 ASN A 1 -8.985 7.069 -1.275 1.00 0.00 H +ATOM 12 HA ASN A 1 -6.948 7.307 -0.124 1.00 0.00 H +ATOM 13 HB2 ASN A 1 -8.491 4.779 0.135 1.00 0.00 H +ATOM 14 HB3 ASN A 1 -6.995 4.925 1.061 1.00 0.00 H +ATOM 15 HD21 ASN A 1 -6.974 6.276 2.941 1.00 0.00 H +ATOM 16 HD22 ASN A 1 -8.390 7.244 3.321 1.00 0.00 H +ATOM 17 N LEU A 2 -5.828 4.741 -1.887 1.00 0.00 N +ATOM 18 CA LEU A 2 -4.612 4.045 -2.368 1.00 0.00 C +ATOM 19 C LEU A 2 -3.979 3.125 -1.303 1.00 0.00 C +ATOM 20 O LEU A 2 -3.517 2.035 -1.641 1.00 0.00 O +ATOM 21 CB LEU A 2 -3.580 5.040 -2.959 1.00 0.00 C +ATOM 22 CG LEU A 2 -4.147 5.962 -4.067 1.00 0.00 C +ATOM 23 CD1 LEU A 2 -3.532 7.367 -4.057 1.00 0.00 C +ATOM 24 CD2 LEU A 2 -3.954 5.329 -5.447 1.00 0.00 C +ATOM 25 H LEU A 2 -6.690 4.354 -2.239 1.00 0.00 H +ATOM 26 HA LEU A 2 -4.915 3.389 -3.185 1.00 0.00 H +ATOM 27 HB2 LEU A 2 -3.214 5.658 -2.162 1.00 0.00 H +ATOM 28 HB3 LEU A 2 -2.734 4.477 -3.358 1.00 0.00 H +ATOM 29 HG LEU A 2 -5.216 6.098 -3.915 1.00 0.00 H +ATOM 30 HD11 LEU A 2 -3.212 7.650 -3.053 1.00 0.00 H +ATOM 31 HD12 LEU A 2 -2.676 7.423 -4.729 1.00 0.00 H +ATOM 32 HD13 LEU A 2 -4.283 8.087 -4.385 1.00 0.00 H +ATOM 33 HD21 LEU A 2 -2.891 5.203 -5.654 1.00 0.00 H +ATOM 34 HD22 LEU A 2 -4.442 4.355 -5.483 1.00 0.00 H +ATOM 35 HD23 LEU A 2 -4.390 5.972 -6.210 1.00 0.00 H +ATOM 36 N TYR A 3 -4.034 3.507 -0.022 1.00 0.00 N +ATOM 37 CA TYR A 3 -3.488 2.754 1.113 1.00 0.00 C +ATOM 38 C TYR A 3 -3.999 1.304 1.197 1.00 0.00 C +ATOM 39 O TYR A 3 -3.219 0.398 1.481 1.00 0.00 O +ATOM 40 CB TYR A 3 -3.764 3.518 2.421 1.00 0.00 C +ATOM 41 CG TYR A 3 -2.555 3.588 3.333 1.00 0.00 C +ATOM 42 CD1 TYR A 3 -2.195 2.479 4.123 1.00 0.00 C +ATOM 43 CD2 TYR A 3 -1.776 4.762 3.370 1.00 0.00 C +ATOM 44 CE1 TYR A 3 -1.050 2.538 4.942 1.00 0.00 C +ATOM 45 CE2 TYR A 3 -0.643 4.831 4.199 1.00 0.00 C +ATOM 46 CZ TYR A 3 -0.268 3.716 4.975 1.00 0.00 C +ATOM 47 OH TYR A 3 0.867 3.769 5.724 1.00 0.00 O +ATOM 48 H TYR A 3 -4.320 4.468 0.138 1.00 0.00 H +ATOM 49 HA TYR A 3 -2.408 2.707 0.979 1.00 0.00 H +ATOM 50 HB2 TYR A 3 -4.066 4.518 2.176 1.00 0.00 H +ATOM 51 HB3 TYR A 3 -4.590 3.050 2.959 1.00 0.00 H +ATOM 52 HD1 TYR A 3 -2.793 1.578 4.096 1.00 0.00 H +ATOM 53 HD2 TYR A 3 -2.027 5.621 2.759 1.00 0.00 H +ATOM 54 HE1 TYR A 3 -0.776 1.690 5.552 1.00 0.00 H +ATOM 55 HE2 TYR A 3 -0.044 5.734 4.228 1.00 0.00 H +ATOM 56 HH TYR A 3 1.327 2.931 5.742 1.00 0.00 H +ATOM 57 N ILE A 4 -5.288 1.067 0.907 1.00 0.00 N +ATOM 58 CA ILE A 4 -5.894 -0.275 0.884 1.00 0.00 C +ATOM 59 C ILE A 4 -5.214 -1.162 -0.172 1.00 0.00 C +ATOM 60 O ILE A 4 -4.782 -2.273 0.130 1.00 0.00 O +ATOM 61 CB ILE A 4 -7.430 -0.201 0.663 1.00 0.00 C +ATOM 62 CG1 ILE A 4 -8.116 0.772 1.655 1.00 0.00 C +ATOM 63 CG2 ILE A 4 -8.062 -1.596 0.813 1.00 0.00 C +ATOM 64 CD1 ILE A 4 -8.454 2.122 1.015 1.00 0.00 C +ATOM 65 H ILE A 4 -5.869 1.867 0.710 1.00 0.00 H +ATOM 66 HA ILE A 4 -5.718 -0.740 1.855 1.00 0.00 H +ATOM 67 HB ILE A 4 -7.627 0.135 -0.357 1.00 0.00 H +ATOM 68 HG12 ILE A 4 -9.024 0.321 2.007 1.00 0.00 H +ATOM 69 HG13 ILE A 4 -7.470 0.935 2.519 1.00 0.00 H +ATOM 70 HG21 ILE A 4 -7.644 -2.289 0.083 1.00 0.00 H +ATOM 71 HG22 ILE A 4 -7.885 -1.983 1.817 1.00 0.00 H +ATOM 72 HG23 ILE A 4 -9.137 -1.535 0.640 1.00 0.00 H +ATOM 73 HD11 ILE A 4 -7.676 2.427 0.316 1.00 0.00 H +ATOM 74 HD12 ILE A 4 -9.403 2.047 0.483 1.00 0.00 H +ATOM 75 HD13 ILE A 4 -8.550 2.876 1.798 1.00 0.00 H +ATOM 76 N GLN A 5 -5.080 -0.655 -1.404 1.00 0.00 N +ATOM 77 CA GLN A 5 -4.405 -1.359 -2.496 1.00 0.00 C +ATOM 78 C GLN A 5 -2.908 -1.559 -2.203 1.00 0.00 C +ATOM 79 O GLN A 5 -2.368 -2.623 -2.496 1.00 0.00 O +ATOM 80 CB GLN A 5 -4.637 -0.594 -3.811 1.00 0.00 C +ATOM 81 CG GLN A 5 -4.176 -1.352 -5.070 1.00 0.00 C +ATOM 82 CD GLN A 5 -5.080 -2.517 -5.485 1.00 0.00 C +ATOM 83 OE1 GLN A 5 -5.806 -3.119 -4.707 1.00 0.00 O +ATOM 84 NE2 GLN A 5 -5.067 -2.886 -6.751 1.00 0.00 N +ATOM 85 H GLN A 5 -5.392 0.289 -1.566 1.00 0.00 H +ATOM 86 HA GLN A 5 -4.856 -2.348 -2.581 1.00 0.00 H +ATOM 87 HB2 GLN A 5 -5.687 -0.394 -3.904 1.00 0.00 H +ATOM 88 HB3 GLN A 5 -4.096 0.353 -3.763 1.00 0.00 H +ATOM 89 HG2 GLN A 5 -4.136 -0.654 -5.884 1.00 0.00 H +ATOM 90 HG3 GLN A 5 -3.160 -1.723 -4.932 1.00 0.00 H +ATOM 91 HE21 GLN A 5 -4.471 -2.439 -7.427 1.00 0.00 H +ATOM 92 HE22 GLN A 5 -5.746 -3.581 -7.000 1.00 0.00 H +ATOM 93 N TRP A 6 -2.243 -0.575 -1.581 1.00 0.00 N +ATOM 94 CA TRP A 6 -0.858 -0.716 -1.118 1.00 0.00 C +ATOM 95 C TRP A 6 -0.699 -1.828 -0.069 1.00 0.00 C +ATOM 96 O TRP A 6 0.195 -2.668 -0.194 1.00 0.00 O +ATOM 97 CB TRP A 6 -0.351 0.624 -0.585 1.00 0.00 C +ATOM 98 CG TRP A 6 1.048 0.578 -0.054 1.00 0.00 C +ATOM 99 CD1 TRP A 6 2.171 0.607 -0.807 1.00 0.00 C +ATOM 100 CD2 TRP A 6 1.497 0.476 1.333 1.00 0.00 C +ATOM 101 NE1 TRP A 6 3.277 0.517 0.018 1.00 0.00 N +ATOM 102 CE2 TRP A 6 2.921 0.430 1.339 1.00 0.00 C +ATOM 103 CE3 TRP A 6 0.854 0.427 2.590 1.00 0.00 C +ATOM 104 CZ2 TRP A 6 3.676 0.352 2.517 1.00 0.00 C +ATOM 105 CZ3 TRP A 6 1.600 0.338 3.783 1.00 0.00 C +ATOM 106 CH2 TRP A 6 3.006 0.310 3.748 1.00 0.00 C +ATOM 107 H TRP A 6 -2.729 0.304 -1.422 1.00 0.00 H +ATOM 108 HA TRP A 6 -0.238 -0.999 -1.969 1.00 0.00 H +ATOM 109 HB2 TRP A 6 -0.385 1.340 -1.384 1.00 0.00 H +ATOM 110 HB3 TRP A 6 -1.007 0.967 0.214 1.00 0.00 H +ATOM 111 HD1 TRP A 6 2.193 0.693 -1.885 1.00 0.00 H +ATOM 112 HE1 TRP A 6 4.245 0.568 -0.288 1.00 0.00 H +ATOM 113 HE3 TRP A 6 -0.224 0.468 2.624 1.00 0.00 H +ATOM 114 HZ2 TRP A 6 4.754 0.329 2.457 1.00 0.00 H +ATOM 115 HZ3 TRP A 6 1.091 0.294 4.733 1.00 0.00 H +ATOM 116 HH2 TRP A 6 3.573 0.259 4.666 1.00 0.00 H +ATOM 117 N LEU A 7 -1.582 -1.882 0.939 1.00 0.00 N +ATOM 118 CA LEU A 7 -1.603 -2.983 1.905 1.00 0.00 C +ATOM 119 C LEU A 7 -1.840 -4.339 1.225 1.00 0.00 C +ATOM 120 O LEU A 7 -1.195 -5.312 1.611 1.00 0.00 O +ATOM 121 CB LEU A 7 -2.648 -2.725 3.008 1.00 0.00 C +ATOM 122 CG LEU A 7 -2.246 -1.632 4.018 1.00 0.00 C +ATOM 123 CD1 LEU A 7 -3.417 -1.351 4.965 1.00 0.00 C +ATOM 124 CD2 LEU A 7 -1.033 -2.033 4.868 1.00 0.00 C +ATOM 125 H LEU A 7 -2.278 -1.141 1.019 1.00 0.00 H +ATOM 126 HA LEU A 7 -0.618 -3.051 2.362 1.00 0.00 H +ATOM 127 HB2 LEU A 7 -3.566 -2.428 2.539 1.00 0.00 H +ATOM 128 HB3 LEU A 7 -2.811 -3.653 3.557 1.00 0.00 H +ATOM 129 HG LEU A 7 -2.009 -0.713 3.490 1.00 0.00 H +ATOM 130 HD11 LEU A 7 -4.299 -1.072 4.387 1.00 0.00 H +ATOM 131 HD12 LEU A 7 -3.642 -2.240 5.555 1.00 0.00 H +ATOM 132 HD13 LEU A 7 -3.161 -0.532 5.635 1.00 0.00 H +ATOM 133 HD21 LEU A 7 -1.219 -2.989 5.358 1.00 0.00 H +ATOM 134 HD22 LEU A 7 -0.146 -2.116 4.244 1.00 0.00 H +ATOM 135 HD23 LEU A 7 -0.847 -1.273 5.626 1.00 0.00 H +ATOM 136 N LYS A 8 -2.685 -4.402 0.182 1.00 0.00 N +ATOM 137 CA LYS A 8 -2.936 -5.625 -0.601 1.00 0.00 C +ATOM 138 C LYS A 8 -1.667 -6.232 -1.217 1.00 0.00 C +ATOM 139 O LYS A 8 -1.582 -7.450 -1.336 1.00 0.00 O +ATOM 140 CB LYS A 8 -3.985 -5.346 -1.693 1.00 0.00 C +ATOM 141 CG LYS A 8 -4.692 -6.641 -2.114 1.00 0.00 C +ATOM 142 CD LYS A 8 -5.718 -6.428 -3.232 1.00 0.00 C +ATOM 143 CE LYS A 8 -5.032 -6.294 -4.599 1.00 0.00 C +ATOM 144 NZ LYS A 8 -5.771 -7.040 -5.645 1.00 0.00 N +ATOM 145 H LYS A 8 -3.211 -3.559 -0.040 1.00 0.00 H +ATOM 146 HA LYS A 8 -3.336 -6.373 0.084 1.00 0.00 H +ATOM 147 HB2 LYS A 8 -4.713 -4.655 -1.313 1.00 0.00 H +ATOM 148 HB3 LYS A 8 -3.500 -4.897 -2.560 1.00 0.00 H +ATOM 149 HG2 LYS A 8 -3.952 -7.338 -2.457 1.00 0.00 H +ATOM 150 HG3 LYS A 8 -5.210 -7.046 -1.244 1.00 0.00 H +ATOM 151 HD2 LYS A 8 -6.387 -7.266 -3.257 1.00 0.00 H +ATOM 152 HD3 LYS A 8 -6.315 -5.536 -3.029 1.00 0.00 H +ATOM 153 HE2 LYS A 8 -4.993 -5.257 -4.871 1.00 0.00 H +ATOM 154 HE3 LYS A 8 -4.012 -6.679 -4.526 1.00 0.00 H +ATOM 155 HZ1 LYS A 8 -5.793 -8.024 -5.407 1.00 0.00 H +ATOM 156 HZ2 LYS A 8 -6.721 -6.700 -5.709 1.00 0.00 H +ATOM 157 HZ3 LYS A 8 -5.316 -6.938 -6.542 1.00 0.00 H +ATOM 158 N ASP A 9 -0.684 -5.400 -1.577 1.00 0.00 N +ATOM 159 CA ASP A 9 0.625 -5.836 -2.086 1.00 0.00 C +ATOM 160 C ASP A 9 1.499 -6.498 -0.998 1.00 0.00 C +ATOM 161 O ASP A 9 2.414 -7.249 -1.327 1.00 0.00 O +ATOM 162 CB ASP A 9 1.344 -4.617 -2.703 1.00 0.00 C +ATOM 163 CG ASP A 9 2.032 -4.934 -4.036 1.00 0.00 C +ATOM 164 OD1 ASP A 9 1.293 -5.094 -5.034 1.00 0.00 O +ATOM 165 OD2 ASP A 9 3.282 -4.935 -4.072 1.00 0.00 O +ATOM 166 H ASP A 9 -0.848 -4.407 -1.477 1.00 0.00 H +ATOM 167 HA ASP A 9 0.459 -6.576 -2.871 1.00 0.00 H +ATOM 168 HB2 ASP A 9 0.621 -3.842 -2.868 1.00 0.00 H +ATOM 169 HB3 ASP A 9 2.073 -4.222 -1.993 1.00 0.00 H +ATOM 170 N GLY A 10 1.197 -6.249 0.290 1.00 0.00 N +ATOM 171 CA GLY A 10 1.964 -6.697 1.458 1.00 0.00 C +ATOM 172 C GLY A 10 2.454 -5.562 2.375 1.00 0.00 C +ATOM 173 O GLY A 10 3.219 -5.821 3.307 1.00 0.00 O +ATOM 174 H GLY A 10 0.340 -5.733 0.471 1.00 0.00 H +ATOM 175 HA2 GLY A 10 1.338 -7.359 2.052 1.00 0.00 H +ATOM 176 HA3 GLY A 10 2.839 -7.260 1.131 1.00 0.00 H +ATOM 177 N GLY A 11 2.062 -4.303 2.120 1.00 0.00 N +ATOM 178 CA GLY A 11 2.530 -3.141 2.879 1.00 0.00 C +ATOM 179 C GLY A 11 4.060 -2.973 2.802 1.00 0.00 C +ATOM 180 O GLY A 11 4.611 -3.075 1.699 1.00 0.00 O +ATOM 181 H GLY A 11 1.492 -4.143 1.300 1.00 0.00 H +ATOM 182 HA2 GLY A 11 2.070 -2.244 2.466 1.00 0.00 H +ATOM 183 HA3 GLY A 11 2.200 -3.255 3.909 1.00 0.00 H +ATOM 184 N PRO A 12 4.771 -2.727 3.926 1.00 0.00 N +ATOM 185 CA PRO A 12 6.226 -2.519 3.940 1.00 0.00 C +ATOM 186 C PRO A 12 7.037 -3.646 3.278 1.00 0.00 C +ATOM 187 O PRO A 12 8.097 -3.395 2.709 1.00 0.00 O +ATOM 188 CB PRO A 12 6.621 -2.378 5.418 1.00 0.00 C +ATOM 189 CG PRO A 12 5.327 -1.974 6.119 1.00 0.00 C +ATOM 190 CD PRO A 12 4.247 -2.658 5.284 1.00 0.00 C +ATOM 191 HA PRO A 12 6.447 -1.585 3.423 1.00 0.00 H +ATOM 192 HB2 PRO A 12 6.987 -3.310 5.804 1.00 0.00 H +ATOM 193 HB3 PRO A 12 7.399 -1.626 5.554 1.00 0.00 H +ATOM 194 HG2 PRO A 12 5.312 -2.328 7.132 1.00 0.00 H +ATOM 195 HG3 PRO A 12 5.205 -0.892 6.065 1.00 0.00 H +ATOM 196 HD2 PRO A 12 4.054 -3.644 5.660 1.00 0.00 H +ATOM 197 HD3 PRO A 12 3.323 -2.082 5.337 1.00 0.00 H +ATOM 198 N SER A 13 6.521 -4.880 3.304 1.00 0.00 N +ATOM 199 CA SER A 13 7.176 -6.096 2.804 1.00 0.00 C +ATOM 200 C SER A 13 7.053 -6.286 1.281 1.00 0.00 C +ATOM 201 O SER A 13 7.203 -7.401 0.787 1.00 0.00 O +ATOM 202 CB SER A 13 6.621 -7.302 3.574 1.00 0.00 C +ATOM 203 OG SER A 13 6.881 -7.134 4.956 1.00 0.00 O +ATOM 204 H SER A 13 5.621 -5.007 3.748 1.00 0.00 H +ATOM 205 HA SER A 13 8.242 -6.031 3.029 1.00 0.00 H +ATOM 206 HB2 SER A 13 5.562 -7.373 3.414 1.00 0.00 H +ATOM 207 HB3 SER A 13 7.106 -8.216 3.229 1.00 0.00 H +ATOM 208 HG SER A 13 6.464 -7.849 5.442 1.00 0.00 H +ATOM 209 N SER A 14 6.792 -5.202 0.538 1.00 0.00 N +ATOM 210 CA SER A 14 6.428 -5.207 -0.894 1.00 0.00 C +ATOM 211 C SER A 14 7.386 -4.379 -1.769 1.00 0.00 C +ATOM 212 O SER A 14 7.101 -4.123 -2.941 1.00 0.00 O +ATOM 213 CB SER A 14 4.978 -4.731 -1.093 1.00 0.00 C +ATOM 214 OG SER A 14 4.172 -4.953 0.037 1.00 0.00 O +ATOM 215 H SER A 14 6.675 -4.342 1.057 1.00 0.00 H +ATOM 216 HA SER A 14 6.470 -6.235 -1.257 1.00 0.00 H +ATOM 217 HB2 SER A 14 4.988 -3.679 -1.305 1.00 0.00 H +ATOM 218 HB3 SER A 14 4.551 -5.239 -1.956 1.00 0.00 H +ATOM 219 HG SER A 14 4.342 -4.220 0.679 1.00 0.00 H +ATOM 220 N GLY A 15 8.502 -3.913 -1.182 1.00 0.00 N +ATOM 221 CA GLY A 15 9.546 -3.129 -1.849 1.00 0.00 C +ATOM 222 C GLY A 15 9.114 -1.724 -2.287 1.00 0.00 C +ATOM 223 O GLY A 15 9.680 -1.186 -3.235 1.00 0.00 O +ATOM 224 H GLY A 15 8.649 -4.194 -0.222 1.00 0.00 H +ATOM 225 HA2 GLY A 15 10.391 -3.019 -1.170 1.00 0.00 H +ATOM 226 HA3 GLY A 15 9.893 -3.670 -2.730 1.00 0.00 H +ATOM 227 N ARG A 16 8.100 -1.139 -1.630 1.00 0.00 N +ATOM 228 CA ARG A 16 7.450 0.119 -2.030 1.00 0.00 C +ATOM 229 C ARG A 16 6.928 0.911 -0.816 1.00 0.00 C +ATOM 230 O ARG A 16 6.269 0.321 0.044 1.00 0.00 O +ATOM 231 CB ARG A 16 6.317 -0.179 -3.034 1.00 0.00 C +ATOM 232 CG ARG A 16 5.288 -1.191 -2.504 1.00 0.00 C +ATOM 233 CD ARG A 16 4.285 -1.659 -3.553 1.00 0.00 C +ATOM 234 NE ARG A 16 4.933 -2.527 -4.549 1.00 0.00 N +ATOM 235 CZ ARG A 16 4.527 -2.735 -5.794 1.00 0.00 C +ATOM 236 NH1 ARG A 16 3.493 -2.100 -6.302 1.00 0.00 N +ATOM 237 NH2 ARG A 16 5.167 -3.578 -6.566 1.00 0.00 N +ATOM 238 H ARG A 16 7.708 -1.640 -0.844 1.00 0.00 H +ATOM 239 HA ARG A 16 8.196 0.717 -2.550 1.00 0.00 H +ATOM 240 HB2 ARG A 16 5.809 0.739 -3.257 1.00 0.00 H +ATOM 241 HB3 ARG A 16 6.768 -0.575 -3.945 1.00 0.00 H +ATOM 242 HG2 ARG A 16 5.817 -2.049 -2.135 1.00 0.00 H +ATOM 243 HG3 ARG A 16 4.734 -0.757 -1.678 1.00 0.00 H +ATOM 244 HD2 ARG A 16 3.499 -2.206 -3.068 1.00 0.00 H +ATOM 245 HD3 ARG A 16 3.837 -0.783 -4.024 1.00 0.00 H +ATOM 246 HE ARG A 16 5.648 -3.155 -4.195 1.00 0.00 H +ATOM 247 HH11 ARG A 16 2.947 -1.544 -5.671 1.00 0.00 H +ATOM 248 HH12 ARG A 16 3.153 -2.320 -7.218 1.00 0.00 H +ATOM 249 HH21 ARG A 16 5.883 -4.149 -6.152 1.00 0.00 H +ATOM 250 HH22 ARG A 16 4.831 -3.768 -7.490 1.00 0.00 H +ATOM 251 N PRO A 17 7.167 2.235 -0.738 1.00 0.00 N +ATOM 252 CA PRO A 17 6.698 3.071 0.368 1.00 0.00 C +ATOM 253 C PRO A 17 5.171 3.287 0.323 1.00 0.00 C +ATOM 254 O PRO A 17 4.562 3.090 -0.732 1.00 0.00 O +ATOM 255 CB PRO A 17 7.457 4.393 0.202 1.00 0.00 C +ATOM 256 CG PRO A 17 7.658 4.498 -1.308 1.00 0.00 C +ATOM 257 CD PRO A 17 7.864 3.045 -1.729 1.00 0.00 C +ATOM 258 HA PRO A 17 6.972 2.607 1.317 1.00 0.00 H +ATOM 259 HB2 PRO A 17 6.878 5.217 0.571 1.00 0.00 H +ATOM 260 HB3 PRO A 17 8.428 4.317 0.695 1.00 0.00 H +ATOM 261 HG2 PRO A 17 6.793 4.919 -1.784 1.00 0.00 H +ATOM 262 HG3 PRO A 17 8.520 5.115 -1.561 1.00 0.00 H +ATOM 263 HD2 PRO A 17 7.450 2.878 -2.705 1.00 0.00 H +ATOM 264 HD3 PRO A 17 8.927 2.802 -1.714 1.00 0.00 H +ATOM 265 N PRO A 18 4.543 3.703 1.441 1.00 0.00 N +ATOM 266 CA PRO A 18 3.105 3.956 1.499 1.00 0.00 C +ATOM 267 C PRO A 18 2.686 5.190 0.673 1.00 0.00 C +ATOM 268 O PRO A 18 3.440 6.163 0.597 1.00 0.00 O +ATOM 269 CB PRO A 18 2.777 4.132 2.983 1.00 0.00 C +ATOM 270 CG PRO A 18 4.091 4.608 3.598 1.00 0.00 C +ATOM 271 CD PRO A 18 5.149 3.902 2.752 1.00 0.00 C +ATOM 272 HA PRO A 18 2.585 3.075 1.131 1.00 0.00 H +ATOM 273 HB2 PRO A 18 2.005 4.865 3.119 1.00 0.00 H +ATOM 274 HB3 PRO A 18 2.506 3.167 3.411 1.00 0.00 H +ATOM 275 HG2 PRO A 18 4.187 5.674 3.523 1.00 0.00 H +ATOM 276 HG3 PRO A 18 4.169 4.334 4.651 1.00 0.00 H +ATOM 277 HD2 PRO A 18 6.028 4.511 2.668 1.00 0.00 H +ATOM 278 HD3 PRO A 18 5.384 2.932 3.191 1.00 0.00 H +ATOM 279 N PRO A 19 1.485 5.179 0.063 1.00 0.00 N +ATOM 280 CA PRO A 19 0.959 6.296 -0.711 1.00 0.00 C +ATOM 281 C PRO A 19 0.308 7.346 0.205 1.00 0.00 C +ATOM 282 O PRO A 19 -0.866 7.217 0.563 1.00 0.00 O +ATOM 283 CB PRO A 19 -0.038 5.662 -1.685 1.00 0.00 C +ATOM 284 CG PRO A 19 -0.611 4.494 -0.880 1.00 0.00 C +ATOM 285 CD PRO A 19 0.571 4.046 -0.020 1.00 0.00 C +ATOM 286 HA PRO A 19 1.758 6.771 -1.284 1.00 0.00 H +ATOM 287 HB2 PRO A 19 -0.808 6.358 -1.956 1.00 0.00 H +ATOM 288 HB3 PRO A 19 0.500 5.276 -2.551 1.00 0.00 H +ATOM 289 HG2 PRO A 19 -1.432 4.815 -0.268 1.00 0.00 H +ATOM 290 HG3 PRO A 19 -0.960 3.695 -1.533 1.00 0.00 H +ATOM 291 HD2 PRO A 19 0.232 3.772 0.961 1.00 0.00 H +ATOM 292 HD3 PRO A 19 1.080 3.221 -0.514 1.00 0.00 H +ATOM 293 N SER A 20 1.081 8.389 0.531 1.00 0.00 N +ATOM 294 CA SER A 20 0.712 9.526 1.401 1.00 0.00 C +ATOM 295 C SER A 20 0.588 9.160 2.890 1.00 0.00 C +ATOM 296 O SER A 20 0.262 10.095 3.652 1.00 0.00 O +ATOM 297 CB SER A 20 -0.566 10.221 0.907 1.00 0.00 C +ATOM 298 OG SER A 20 -0.448 10.583 -0.457 1.00 0.00 O +ATOM 299 OXT SER A 20 0.841 7.989 3.253 1.00 0.00 O +ATOM 300 H SER A 20 2.044 8.336 0.235 1.00 0.00 H +ATOM 301 HA SER A 20 1.510 10.263 1.347 1.00 0.00 H +ATOM 302 HB2 SER A 20 -1.397 9.552 1.023 1.00 0.00 H +ATOM 303 HB3 SER A 20 -0.739 11.118 1.507 1.00 0.00 H +ATOM 304 HG SER A 20 -1.325 10.595 -0.845 1.00 0.00 H +TER 305 SER A 20 +ENDMDL +MODEL 6 +ATOM 1 N ASN A 1 -8.386 5.528 0.323 1.00 0.00 N +ATOM 2 CA ASN A 1 -7.252 6.475 0.201 1.00 0.00 C +ATOM 3 C ASN A 1 -5.976 5.793 -0.320 1.00 0.00 C +ATOM 4 O ASN A 1 -4.928 5.981 0.279 1.00 0.00 O +ATOM 5 CB ASN A 1 -6.989 7.168 1.563 1.00 0.00 C +ATOM 6 CG ASN A 1 -8.182 7.971 2.069 1.00 0.00 C +ATOM 7 OD1 ASN A 1 -9.321 7.671 1.737 1.00 0.00 O +ATOM 8 ND2 ASN A 1 -7.956 8.989 2.877 1.00 0.00 N +ATOM 9 H1 ASN A 1 -8.680 5.191 -0.583 1.00 0.00 H +ATOM 10 H2 ASN A 1 -8.133 4.750 0.917 1.00 0.00 H +ATOM 11 H3 ASN A 1 -9.162 6.024 0.757 1.00 0.00 H +ATOM 12 HA ASN A 1 -7.519 7.256 -0.513 1.00 0.00 H +ATOM 13 HB2 ASN A 1 -6.753 6.414 2.289 1.00 0.00 H +ATOM 14 HB3 ASN A 1 -6.141 7.847 1.464 1.00 0.00 H +ATOM 15 HD21 ASN A 1 -7.025 9.245 3.168 1.00 0.00 H +ATOM 16 HD22 ASN A 1 -8.768 9.497 3.186 1.00 0.00 H +ATOM 17 N LEU A 2 -6.033 4.992 -1.399 1.00 0.00 N +ATOM 18 CA LEU A 2 -4.893 4.279 -2.026 1.00 0.00 C +ATOM 19 C LEU A 2 -4.189 3.209 -1.150 1.00 0.00 C +ATOM 20 O LEU A 2 -3.787 2.161 -1.653 1.00 0.00 O +ATOM 21 CB LEU A 2 -3.898 5.323 -2.592 1.00 0.00 C +ATOM 22 CG LEU A 2 -3.403 5.048 -4.026 1.00 0.00 C +ATOM 23 CD1 LEU A 2 -4.520 5.284 -5.049 1.00 0.00 C +ATOM 24 CD2 LEU A 2 -2.245 5.991 -4.373 1.00 0.00 C +ATOM 25 H LEU A 2 -6.896 4.918 -1.915 1.00 0.00 H +ATOM 26 HA LEU A 2 -5.303 3.724 -2.868 1.00 0.00 H +ATOM 27 HB2 LEU A 2 -4.382 6.281 -2.586 1.00 0.00 H +ATOM 28 HB3 LEU A 2 -3.041 5.381 -1.923 1.00 0.00 H +ATOM 29 HG LEU A 2 -3.055 4.018 -4.106 1.00 0.00 H +ATOM 30 HD11 LEU A 2 -5.356 4.614 -4.868 1.00 0.00 H +ATOM 31 HD12 LEU A 2 -4.864 6.318 -4.993 1.00 0.00 H +ATOM 32 HD13 LEU A 2 -4.141 5.093 -6.053 1.00 0.00 H +ATOM 33 HD21 LEU A 2 -2.447 7.000 -4.006 1.00 0.00 H +ATOM 34 HD22 LEU A 2 -1.330 5.621 -3.919 1.00 0.00 H +ATOM 35 HD23 LEU A 2 -2.089 6.031 -5.450 1.00 0.00 H +ATOM 36 N TYR A 3 -4.112 3.429 0.165 1.00 0.00 N +ATOM 37 CA TYR A 3 -3.496 2.595 1.193 1.00 0.00 C +ATOM 38 C TYR A 3 -4.014 1.148 1.203 1.00 0.00 C +ATOM 39 O TYR A 3 -3.249 0.231 1.485 1.00 0.00 O +ATOM 40 CB TYR A 3 -3.710 3.279 2.555 1.00 0.00 C +ATOM 41 CG TYR A 3 -2.553 3.084 3.510 1.00 0.00 C +ATOM 42 CD1 TYR A 3 -2.456 1.903 4.268 1.00 0.00 C +ATOM 43 CD2 TYR A 3 -1.561 4.078 3.620 1.00 0.00 C +ATOM 44 CE1 TYR A 3 -1.355 1.701 5.120 1.00 0.00 C +ATOM 45 CE2 TYR A 3 -0.454 3.878 4.467 1.00 0.00 C +ATOM 46 CZ TYR A 3 -0.345 2.682 5.210 1.00 0.00 C +ATOM 47 OH TYR A 3 0.737 2.459 6.003 1.00 0.00 O +ATOM 48 H TYR A 3 -4.356 4.372 0.451 1.00 0.00 H +ATOM 49 HA TYR A 3 -2.424 2.563 0.995 1.00 0.00 H +ATOM 50 HB2 TYR A 3 -3.843 4.331 2.391 1.00 0.00 H +ATOM 51 HB3 TYR A 3 -4.629 2.908 3.015 1.00 0.00 H +ATOM 52 HD1 TYR A 3 -3.225 1.149 4.184 1.00 0.00 H +ATOM 53 HD2 TYR A 3 -1.654 5.000 3.056 1.00 0.00 H +ATOM 54 HE1 TYR A 3 -1.263 0.796 5.701 1.00 0.00 H +ATOM 55 HE2 TYR A 3 0.299 4.646 4.556 1.00 0.00 H +ATOM 56 HH TYR A 3 1.435 3.096 5.844 1.00 0.00 H +ATOM 57 N ILE A 4 -5.288 0.927 0.844 1.00 0.00 N +ATOM 58 CA ILE A 4 -5.882 -0.413 0.700 1.00 0.00 C +ATOM 59 C ILE A 4 -5.155 -1.216 -0.392 1.00 0.00 C +ATOM 60 O ILE A 4 -4.783 -2.368 -0.166 1.00 0.00 O +ATOM 61 CB ILE A 4 -7.403 -0.333 0.415 1.00 0.00 C +ATOM 62 CG1 ILE A 4 -8.165 0.597 1.397 1.00 0.00 C +ATOM 63 CG2 ILE A 4 -8.025 -1.739 0.474 1.00 0.00 C +ATOM 64 CD1 ILE A 4 -8.569 1.925 0.742 1.00 0.00 C +ATOM 65 H ILE A 4 -5.849 1.736 0.639 1.00 0.00 H +ATOM 66 HA ILE A 4 -5.742 -0.945 1.643 1.00 0.00 H +ATOM 67 HB ILE A 4 -7.545 0.041 -0.602 1.00 0.00 H +ATOM 68 HG12 ILE A 4 -9.051 0.094 1.733 1.00 0.00 H +ATOM 69 HG13 ILE A 4 -7.558 0.797 2.280 1.00 0.00 H +ATOM 70 HG21 ILE A 4 -7.561 -2.398 -0.261 1.00 0.00 H +ATOM 71 HG22 ILE A 4 -7.892 -2.168 1.469 1.00 0.00 H +ATOM 72 HG23 ILE A 4 -9.091 -1.683 0.250 1.00 0.00 H +ATOM 73 HD11 ILE A 4 -7.690 2.447 0.367 1.00 0.00 H +ATOM 74 HD12 ILE A 4 -9.256 1.730 -0.083 1.00 0.00 H +ATOM 75 HD13 ILE A 4 -9.076 2.550 1.478 1.00 0.00 H +ATOM 76 N GLN A 5 -4.919 -0.602 -1.563 1.00 0.00 N +ATOM 77 CA GLN A 5 -4.148 -1.213 -2.650 1.00 0.00 C +ATOM 78 C GLN A 5 -2.698 -1.477 -2.220 1.00 0.00 C +ATOM 79 O GLN A 5 -2.176 -2.563 -2.456 1.00 0.00 O +ATOM 80 CB GLN A 5 -4.189 -0.338 -3.923 1.00 0.00 C +ATOM 81 CG GLN A 5 -5.048 -0.952 -5.043 1.00 0.00 C +ATOM 82 CD GLN A 5 -4.557 -0.530 -6.426 1.00 0.00 C +ATOM 83 OE1 GLN A 5 -3.843 -1.254 -7.098 1.00 0.00 O +ATOM 84 NE2 GLN A 5 -4.900 0.648 -6.907 1.00 0.00 N +ATOM 85 H GLN A 5 -5.147 0.379 -1.642 1.00 0.00 H +ATOM 86 HA GLN A 5 -4.590 -2.184 -2.870 1.00 0.00 H +ATOM 87 HB2 GLN A 5 -4.595 0.621 -3.666 1.00 0.00 H +ATOM 88 HB3 GLN A 5 -3.171 -0.226 -4.301 1.00 0.00 H +ATOM 89 HG2 GLN A 5 -5.003 -2.022 -4.969 1.00 0.00 H +ATOM 90 HG3 GLN A 5 -6.090 -0.657 -4.912 1.00 0.00 H +ATOM 91 HE21 GLN A 5 -5.491 1.299 -6.420 1.00 0.00 H +ATOM 92 HE22 GLN A 5 -4.516 0.824 -7.820 1.00 0.00 H +ATOM 93 N TRP A 6 -2.058 -0.514 -1.548 1.00 0.00 N +ATOM 94 CA TRP A 6 -0.698 -0.699 -1.033 1.00 0.00 C +ATOM 95 C TRP A 6 -0.598 -1.819 0.024 1.00 0.00 C +ATOM 96 O TRP A 6 0.351 -2.603 0.007 1.00 0.00 O +ATOM 97 CB TRP A 6 -0.182 0.633 -0.487 1.00 0.00 C +ATOM 98 CG TRP A 6 1.208 0.559 0.054 1.00 0.00 C +ATOM 99 CD1 TRP A 6 2.340 0.584 -0.684 1.00 0.00 C +ATOM 100 CD2 TRP A 6 1.636 0.399 1.441 1.00 0.00 C +ATOM 101 NE1 TRP A 6 3.434 0.426 0.145 1.00 0.00 N +ATOM 102 CE2 TRP A 6 3.060 0.338 1.464 1.00 0.00 C +ATOM 103 CE3 TRP A 6 0.968 0.306 2.680 1.00 0.00 C +ATOM 104 CZ2 TRP A 6 3.793 0.231 2.652 1.00 0.00 C +ATOM 105 CZ3 TRP A 6 1.692 0.176 3.881 1.00 0.00 C +ATOM 106 CH2 TRP A 6 3.098 0.160 3.871 1.00 0.00 C +ATOM 107 H TRP A 6 -2.537 0.370 -1.411 1.00 0.00 H +ATOM 108 HA TRP A 6 -0.056 -0.999 -1.865 1.00 0.00 H +ATOM 109 HB2 TRP A 6 -0.199 1.355 -1.281 1.00 0.00 H +ATOM 110 HB3 TRP A 6 -0.845 0.977 0.306 1.00 0.00 H +ATOM 111 HD1 TRP A 6 2.372 0.691 -1.760 1.00 0.00 H +ATOM 112 HE1 TRP A 6 4.406 0.397 -0.171 1.00 0.00 H +ATOM 113 HE3 TRP A 6 -0.111 0.343 2.699 1.00 0.00 H +ATOM 114 HZ2 TRP A 6 4.871 0.201 2.617 1.00 0.00 H +ATOM 115 HZ3 TRP A 6 1.165 0.101 4.820 1.00 0.00 H +ATOM 116 HH2 TRP A 6 3.644 0.086 4.800 1.00 0.00 H +ATOM 117 N LEU A 7 -1.583 -1.947 0.921 1.00 0.00 N +ATOM 118 CA LEU A 7 -1.656 -3.076 1.851 1.00 0.00 C +ATOM 119 C LEU A 7 -1.870 -4.413 1.124 1.00 0.00 C +ATOM 120 O LEU A 7 -1.239 -5.396 1.507 1.00 0.00 O +ATOM 121 CB LEU A 7 -2.744 -2.838 2.914 1.00 0.00 C +ATOM 122 CG LEU A 7 -2.336 -1.840 4.014 1.00 0.00 C +ATOM 123 CD1 LEU A 7 -3.558 -1.525 4.882 1.00 0.00 C +ATOM 124 CD2 LEU A 7 -1.236 -2.386 4.934 1.00 0.00 C +ATOM 125 H LEU A 7 -2.308 -1.232 0.953 1.00 0.00 H +ATOM 126 HA LEU A 7 -0.691 -3.164 2.348 1.00 0.00 H +ATOM 127 HB2 LEU A 7 -3.619 -2.459 2.422 1.00 0.00 H +ATOM 128 HB3 LEU A 7 -2.984 -3.790 3.391 1.00 0.00 H +ATOM 129 HG LEU A 7 -1.981 -0.918 3.559 1.00 0.00 H +ATOM 130 HD11 LEU A 7 -4.336 -1.072 4.269 1.00 0.00 H +ATOM 131 HD12 LEU A 7 -3.942 -2.440 5.333 1.00 0.00 H +ATOM 132 HD13 LEU A 7 -3.281 -0.829 5.675 1.00 0.00 H +ATOM 133 HD21 LEU A 7 -1.580 -3.296 5.429 1.00 0.00 H +ATOM 134 HD22 LEU A 7 -0.333 -2.606 4.369 1.00 0.00 H +ATOM 135 HD23 LEU A 7 -0.987 -1.645 5.691 1.00 0.00 H +ATOM 136 N LYS A 8 -2.686 -4.452 0.056 1.00 0.00 N +ATOM 137 CA LYS A 8 -2.868 -5.634 -0.809 1.00 0.00 C +ATOM 138 C LYS A 8 -1.553 -6.182 -1.385 1.00 0.00 C +ATOM 139 O LYS A 8 -1.446 -7.398 -1.524 1.00 0.00 O +ATOM 140 CB LYS A 8 -3.855 -5.315 -1.947 1.00 0.00 C +ATOM 141 CG LYS A 8 -5.312 -5.718 -1.691 1.00 0.00 C +ATOM 142 CD LYS A 8 -5.595 -7.194 -2.011 1.00 0.00 C +ATOM 143 CE LYS A 8 -7.083 -7.358 -2.351 1.00 0.00 C +ATOM 144 NZ LYS A 8 -7.467 -8.781 -2.499 1.00 0.00 N +ATOM 145 H LYS A 8 -3.201 -3.604 -0.166 1.00 0.00 H +ATOM 146 HA LYS A 8 -3.277 -6.443 -0.202 1.00 0.00 H +ATOM 147 HB2 LYS A 8 -3.830 -4.256 -2.119 1.00 0.00 H +ATOM 148 HB3 LYS A 8 -3.518 -5.782 -2.874 1.00 0.00 H +ATOM 149 HG2 LYS A 8 -5.538 -5.544 -0.657 1.00 0.00 H +ATOM 150 HG3 LYS A 8 -5.933 -5.099 -2.340 1.00 0.00 H +ATOM 151 HD2 LYS A 8 -4.999 -7.501 -2.849 1.00 0.00 H +ATOM 152 HD3 LYS A 8 -5.322 -7.812 -1.153 1.00 0.00 H +ATOM 153 HE2 LYS A 8 -7.668 -6.922 -1.564 1.00 0.00 H +ATOM 154 HE3 LYS A 8 -7.274 -6.823 -3.286 1.00 0.00 H +ATOM 155 HZ1 LYS A 8 -6.831 -9.251 -3.130 1.00 0.00 H +ATOM 156 HZ2 LYS A 8 -7.436 -9.244 -1.601 1.00 0.00 H +ATOM 157 HZ3 LYS A 8 -8.406 -8.854 -2.869 1.00 0.00 H +ATOM 158 N ASP A 9 -0.560 -5.331 -1.687 1.00 0.00 N +ATOM 159 CA ASP A 9 0.784 -5.780 -2.096 1.00 0.00 C +ATOM 160 C ASP A 9 1.568 -6.488 -0.965 1.00 0.00 C +ATOM 161 O ASP A 9 2.503 -7.234 -1.258 1.00 0.00 O +ATOM 162 CB ASP A 9 1.632 -4.594 -2.600 1.00 0.00 C +ATOM 163 CG ASP A 9 1.231 -4.011 -3.959 1.00 0.00 C +ATOM 164 OD1 ASP A 9 1.430 -4.722 -4.969 1.00 0.00 O +ATOM 165 OD2 ASP A 9 0.856 -2.815 -4.003 1.00 0.00 O +ATOM 166 H ASP A 9 -0.747 -4.339 -1.618 1.00 0.00 H +ATOM 167 HA ASP A 9 0.686 -6.498 -2.912 1.00 0.00 H +ATOM 168 HB2 ASP A 9 1.563 -3.808 -1.872 1.00 0.00 H +ATOM 169 HB3 ASP A 9 2.656 -4.948 -2.713 1.00 0.00 H +ATOM 170 N GLY A 10 1.199 -6.278 0.311 1.00 0.00 N +ATOM 171 CA GLY A 10 1.937 -6.750 1.490 1.00 0.00 C +ATOM 172 C GLY A 10 2.431 -5.639 2.432 1.00 0.00 C +ATOM 173 O GLY A 10 3.200 -5.926 3.352 1.00 0.00 O +ATOM 174 H GLY A 10 0.336 -5.769 0.474 1.00 0.00 H +ATOM 175 HA2 GLY A 10 1.286 -7.408 2.066 1.00 0.00 H +ATOM 176 HA3 GLY A 10 2.807 -7.329 1.179 1.00 0.00 H +ATOM 177 N GLY A 11 2.031 -4.376 2.219 1.00 0.00 N +ATOM 178 CA GLY A 11 2.470 -3.241 3.034 1.00 0.00 C +ATOM 179 C GLY A 11 4.000 -3.062 3.006 1.00 0.00 C +ATOM 180 O GLY A 11 4.575 -3.113 1.914 1.00 0.00 O +ATOM 181 H GLY A 11 1.469 -4.186 1.397 1.00 0.00 H +ATOM 182 HA2 GLY A 11 2.015 -2.334 2.636 1.00 0.00 H +ATOM 183 HA3 GLY A 11 2.114 -3.391 4.051 1.00 0.00 H +ATOM 184 N PRO A 12 4.686 -2.853 4.152 1.00 0.00 N +ATOM 185 CA PRO A 12 6.138 -2.627 4.199 1.00 0.00 C +ATOM 186 C PRO A 12 6.979 -3.705 3.499 1.00 0.00 C +ATOM 187 O PRO A 12 8.023 -3.398 2.928 1.00 0.00 O +ATOM 188 CB PRO A 12 6.504 -2.546 5.686 1.00 0.00 C +ATOM 189 CG PRO A 12 5.198 -2.156 6.370 1.00 0.00 C +ATOM 190 CD PRO A 12 4.133 -2.817 5.498 1.00 0.00 C +ATOM 191 HA PRO A 12 6.351 -1.666 3.730 1.00 0.00 H +ATOM 192 HB2 PRO A 12 6.853 -3.495 6.045 1.00 0.00 H +ATOM 193 HB3 PRO A 12 7.286 -1.807 5.866 1.00 0.00 H +ATOM 194 HG2 PRO A 12 5.162 -2.534 7.374 1.00 0.00 H +ATOM 195 HG3 PRO A 12 5.079 -1.073 6.340 1.00 0.00 H +ATOM 196 HD2 PRO A 12 3.931 -3.812 5.845 1.00 0.00 H +ATOM 197 HD3 PRO A 12 3.207 -2.241 5.544 1.00 0.00 H +ATOM 198 N SER A 13 6.508 -4.958 3.493 1.00 0.00 N +ATOM 199 CA SER A 13 7.189 -6.103 2.872 1.00 0.00 C +ATOM 200 C SER A 13 7.058 -6.147 1.336 1.00 0.00 C +ATOM 201 O SER A 13 7.435 -7.142 0.722 1.00 0.00 O +ATOM 202 CB SER A 13 6.693 -7.403 3.522 1.00 0.00 C +ATOM 203 OG SER A 13 7.056 -7.403 4.891 1.00 0.00 O +ATOM 204 H SER A 13 5.629 -5.143 3.955 1.00 0.00 H +ATOM 205 HA SER A 13 8.255 -6.026 3.087 1.00 0.00 H +ATOM 206 HB2 SER A 13 5.625 -7.465 3.433 1.00 0.00 H +ATOM 207 HB3 SER A 13 7.159 -8.260 3.034 1.00 0.00 H +ATOM 208 HG SER A 13 6.918 -8.284 5.253 1.00 0.00 H +ATOM 209 N SER A 14 6.545 -5.077 0.709 1.00 0.00 N +ATOM 210 CA SER A 14 6.283 -4.978 -0.737 1.00 0.00 C +ATOM 211 C SER A 14 7.371 -4.237 -1.526 1.00 0.00 C +ATOM 212 O SER A 14 7.218 -4.034 -2.732 1.00 0.00 O +ATOM 213 CB SER A 14 4.974 -4.222 -0.999 1.00 0.00 C +ATOM 214 OG SER A 14 3.964 -4.544 -0.082 1.00 0.00 O +ATOM 215 H SER A 14 6.237 -4.313 1.299 1.00 0.00 H +ATOM 216 HA SER A 14 6.178 -5.981 -1.151 1.00 0.00 H +ATOM 217 HB2 SER A 14 5.169 -3.169 -0.937 1.00 0.00 H +ATOM 218 HB3 SER A 14 4.638 -4.447 -2.011 1.00 0.00 H +ATOM 219 HG SER A 14 4.139 -4.000 0.726 1.00 0.00 H +ATOM 220 N GLY A 15 8.414 -3.725 -0.859 1.00 0.00 N +ATOM 221 CA GLY A 15 9.471 -2.894 -1.454 1.00 0.00 C +ATOM 222 C GLY A 15 9.041 -1.455 -1.795 1.00 0.00 C +ATOM 223 O GLY A 15 9.819 -0.525 -1.599 1.00 0.00 O +ATOM 224 H GLY A 15 8.450 -3.903 0.136 1.00 0.00 H +ATOM 225 HA2 GLY A 15 10.311 -2.842 -0.764 1.00 0.00 H +ATOM 226 HA3 GLY A 15 9.822 -3.367 -2.372 1.00 0.00 H +ATOM 227 N ARG A 16 7.814 -1.262 -2.297 1.00 0.00 N +ATOM 228 CA ARG A 16 7.226 0.051 -2.611 1.00 0.00 C +ATOM 229 C ARG A 16 6.816 0.830 -1.338 1.00 0.00 C +ATOM 230 O ARG A 16 6.195 0.243 -0.447 1.00 0.00 O +ATOM 231 CB ARG A 16 6.050 -0.120 -3.595 1.00 0.00 C +ATOM 232 CG ARG A 16 4.880 -0.960 -3.052 1.00 0.00 C +ATOM 233 CD ARG A 16 3.737 -1.115 -4.058 1.00 0.00 C +ATOM 234 NE ARG A 16 4.012 -2.181 -5.038 1.00 0.00 N +ATOM 235 CZ ARG A 16 3.322 -2.423 -6.147 1.00 0.00 C +ATOM 236 NH1 ARG A 16 2.338 -1.649 -6.533 1.00 0.00 N +ATOM 237 NH2 ARG A 16 3.618 -3.461 -6.892 1.00 0.00 N +ATOM 238 H ARG A 16 7.281 -2.107 -2.474 1.00 0.00 H +ATOM 239 HA ARG A 16 8.002 0.620 -3.123 1.00 0.00 H +ATOM 240 HB2 ARG A 16 5.676 0.855 -3.843 1.00 0.00 H +ATOM 241 HB3 ARG A 16 6.426 -0.587 -4.506 1.00 0.00 H +ATOM 242 HG2 ARG A 16 5.248 -1.936 -2.800 1.00 0.00 H +ATOM 243 HG3 ARG A 16 4.474 -0.469 -2.174 1.00 0.00 H +ATOM 244 HD2 ARG A 16 2.836 -1.356 -3.526 1.00 0.00 H +ATOM 245 HD3 ARG A 16 3.570 -0.162 -4.563 1.00 0.00 H +ATOM 246 HE ARG A 16 4.727 -2.848 -4.801 1.00 0.00 H +ATOM 247 HH11 ARG A 16 1.964 -1.052 -5.816 1.00 0.00 H +ATOM 248 HH12 ARG A 16 1.772 -1.893 -7.322 1.00 0.00 H +ATOM 249 HH21 ARG A 16 4.226 -4.165 -6.517 1.00 0.00 H +ATOM 250 HH22 ARG A 16 3.002 -3.699 -7.645 1.00 0.00 H +ATOM 251 N PRO A 17 7.097 2.147 -1.240 1.00 0.00 N +ATOM 252 CA PRO A 17 6.733 2.965 -0.077 1.00 0.00 C +ATOM 253 C PRO A 17 5.211 3.205 0.012 1.00 0.00 C +ATOM 254 O PRO A 17 4.514 3.057 -0.995 1.00 0.00 O +ATOM 255 CB PRO A 17 7.499 4.279 -0.266 1.00 0.00 C +ATOM 256 CG PRO A 17 7.601 4.413 -1.783 1.00 0.00 C +ATOM 257 CD PRO A 17 7.764 2.966 -2.245 1.00 0.00 C +ATOM 258 HA PRO A 17 7.073 2.472 0.834 1.00 0.00 H +ATOM 259 HB2 PRO A 17 6.958 5.103 0.157 1.00 0.00 H +ATOM 260 HB3 PRO A 17 8.500 4.183 0.158 1.00 0.00 H +ATOM 261 HG2 PRO A 17 6.711 4.851 -2.192 1.00 0.00 H +ATOM 262 HG3 PRO A 17 8.451 5.031 -2.080 1.00 0.00 H +ATOM 263 HD2 PRO A 17 7.305 2.827 -3.205 1.00 0.00 H +ATOM 264 HD3 PRO A 17 8.823 2.707 -2.277 1.00 0.00 H +ATOM 265 N PRO A 18 4.682 3.595 1.190 1.00 0.00 N +ATOM 266 CA PRO A 18 3.257 3.860 1.368 1.00 0.00 C +ATOM 267 C PRO A 18 2.815 5.129 0.616 1.00 0.00 C +ATOM 268 O PRO A 18 3.586 6.086 0.526 1.00 0.00 O +ATOM 269 CB PRO A 18 3.049 4.007 2.879 1.00 0.00 C +ATOM 270 CG PRO A 18 4.407 4.496 3.377 1.00 0.00 C +ATOM 271 CD PRO A 18 5.393 3.792 2.447 1.00 0.00 C +ATOM 272 HA PRO A 18 2.691 3.004 1.010 1.00 0.00 H +ATOM 273 HB2 PRO A 18 2.280 4.725 3.093 1.00 0.00 H +ATOM 274 HB3 PRO A 18 2.830 3.031 3.313 1.00 0.00 H +ATOM 275 HG2 PRO A 18 4.488 5.562 3.288 1.00 0.00 H +ATOM 276 HG3 PRO A 18 4.575 4.231 4.423 1.00 0.00 H +ATOM 277 HD2 PRO A 18 6.262 4.402 2.293 1.00 0.00 H +ATOM 278 HD3 PRO A 18 5.666 2.823 2.864 1.00 0.00 H +ATOM 279 N PRO A 19 1.564 5.179 0.116 1.00 0.00 N +ATOM 280 CA PRO A 19 1.048 6.326 -0.630 1.00 0.00 C +ATOM 281 C PRO A 19 0.603 7.495 0.262 1.00 0.00 C +ATOM 282 O PRO A 19 0.510 8.619 -0.227 1.00 0.00 O +ATOM 283 CB PRO A 19 -0.136 5.763 -1.415 1.00 0.00 C +ATOM 284 CG PRO A 19 -0.683 4.666 -0.501 1.00 0.00 C +ATOM 285 CD PRO A 19 0.585 4.100 0.134 1.00 0.00 C +ATOM 286 HA PRO A 19 1.801 6.695 -1.328 1.00 0.00 H +ATOM 287 HB2 PRO A 19 -0.875 6.521 -1.589 1.00 0.00 H +ATOM 288 HB3 PRO A 19 0.239 5.311 -2.333 1.00 0.00 H +ATOM 289 HG2 PRO A 19 -1.340 5.073 0.243 1.00 0.00 H +ATOM 290 HG3 PRO A 19 -1.221 3.904 -1.064 1.00 0.00 H +ATOM 291 HD2 PRO A 19 0.390 3.791 1.143 1.00 0.00 H +ATOM 292 HD3 PRO A 19 0.959 3.279 -0.477 1.00 0.00 H +ATOM 293 N SER A 20 0.367 7.228 1.556 1.00 0.00 N +ATOM 294 CA SER A 20 -0.233 8.139 2.544 1.00 0.00 C +ATOM 295 C SER A 20 -1.656 8.585 2.160 1.00 0.00 C +ATOM 296 O SER A 20 -2.384 7.708 1.628 1.00 0.00 O +ATOM 297 CB SER A 20 0.737 9.297 2.810 1.00 0.00 C +ATOM 298 OG SER A 20 0.750 9.605 4.190 1.00 0.00 O +ATOM 299 OXT SER A 20 -2.026 9.739 2.451 1.00 0.00 O +ATOM 300 H SER A 20 0.453 6.262 1.817 1.00 0.00 H +ATOM 301 HA SER A 20 -0.350 7.592 3.476 1.00 0.00 H +ATOM 302 HB2 SER A 20 1.724 9.013 2.499 1.00 0.00 H +ATOM 303 HB3 SER A 20 0.448 10.165 2.214 1.00 0.00 H +ATOM 304 HG SER A 20 0.692 10.559 4.282 1.00 0.00 H +TER 305 SER A 20 +ENDMDL +MODEL 7 +ATOM 1 N ASN A 1 -8.903 5.528 -0.196 1.00 0.00 N +ATOM 2 CA ASN A 1 -7.549 5.998 -0.581 1.00 0.00 C +ATOM 3 C ASN A 1 -6.760 4.831 -1.189 1.00 0.00 C +ATOM 4 O ASN A 1 -7.247 3.705 -1.144 1.00 0.00 O +ATOM 5 CB ASN A 1 -6.831 6.647 0.620 1.00 0.00 C +ATOM 6 CG ASN A 1 -5.684 7.538 0.154 1.00 0.00 C +ATOM 7 OD1 ASN A 1 -4.583 7.063 -0.078 1.00 0.00 O +ATOM 8 ND2 ASN A 1 -5.924 8.815 -0.078 1.00 0.00 N +ATOM 9 H1 ASN A 1 -9.364 5.129 -1.005 1.00 0.00 H +ATOM 10 H2 ASN A 1 -8.821 4.800 0.502 1.00 0.00 H +ATOM 11 H3 ASN A 1 -9.457 6.290 0.168 1.00 0.00 H +ATOM 12 HA ASN A 1 -7.661 6.757 -1.358 1.00 0.00 H +ATOM 13 HB2 ASN A 1 -7.535 7.240 1.171 1.00 0.00 H +ATOM 14 HB3 ASN A 1 -6.437 5.876 1.282 1.00 0.00 H +ATOM 15 HD21 ASN A 1 -6.803 9.269 0.111 1.00 0.00 H +ATOM 16 HD22 ASN A 1 -5.123 9.345 -0.388 1.00 0.00 H +ATOM 17 N LEU A 2 -5.566 5.065 -1.745 1.00 0.00 N +ATOM 18 CA LEU A 2 -4.705 4.017 -2.308 1.00 0.00 C +ATOM 19 C LEU A 2 -4.063 3.108 -1.244 1.00 0.00 C +ATOM 20 O LEU A 2 -3.570 2.036 -1.587 1.00 0.00 O +ATOM 21 CB LEU A 2 -3.636 4.665 -3.218 1.00 0.00 C +ATOM 22 CG LEU A 2 -3.984 4.537 -4.715 1.00 0.00 C +ATOM 23 CD1 LEU A 2 -3.137 5.490 -5.557 1.00 0.00 C +ATOM 24 CD2 LEU A 2 -3.737 3.110 -5.216 1.00 0.00 C +ATOM 25 H LEU A 2 -5.153 5.991 -1.653 1.00 0.00 H +ATOM 26 HA LEU A 2 -5.332 3.363 -2.913 1.00 0.00 H +ATOM 27 HB2 LEU A 2 -3.557 5.706 -2.970 1.00 0.00 H +ATOM 28 HB3 LEU A 2 -2.666 4.195 -3.051 1.00 0.00 H +ATOM 29 HG LEU A 2 -5.035 4.787 -4.864 1.00 0.00 H +ATOM 30 HD11 LEU A 2 -3.377 6.522 -5.297 1.00 0.00 H +ATOM 31 HD12 LEU A 2 -2.077 5.308 -5.382 1.00 0.00 H +ATOM 32 HD13 LEU A 2 -3.356 5.339 -6.615 1.00 0.00 H +ATOM 33 HD21 LEU A 2 -2.687 2.842 -5.096 1.00 0.00 H +ATOM 34 HD22 LEU A 2 -4.350 2.412 -4.658 1.00 0.00 H +ATOM 35 HD23 LEU A 2 -4.007 3.032 -6.270 1.00 0.00 H +ATOM 36 N TYR A 3 -4.102 3.487 0.042 1.00 0.00 N +ATOM 37 CA TYR A 3 -3.503 2.730 1.149 1.00 0.00 C +ATOM 38 C TYR A 3 -3.977 1.265 1.216 1.00 0.00 C +ATOM 39 O TYR A 3 -3.168 0.369 1.448 1.00 0.00 O +ATOM 40 CB TYR A 3 -3.768 3.466 2.474 1.00 0.00 C +ATOM 41 CG TYR A 3 -2.672 3.279 3.509 1.00 0.00 C +ATOM 42 CD1 TYR A 3 -2.536 2.057 4.196 1.00 0.00 C +ATOM 43 CD2 TYR A 3 -1.783 4.339 3.784 1.00 0.00 C +ATOM 44 CE1 TYR A 3 -1.523 1.895 5.162 1.00 0.00 C +ATOM 45 CE2 TYR A 3 -0.765 4.177 4.741 1.00 0.00 C +ATOM 46 CZ TYR A 3 -0.640 2.961 5.441 1.00 0.00 C +ATOM 47 OH TYR A 3 0.309 2.837 6.407 1.00 0.00 O +ATOM 48 H TYR A 3 -4.453 4.414 0.232 1.00 0.00 H +ATOM 49 HA TYR A 3 -2.424 2.713 0.990 1.00 0.00 H +ATOM 50 HB2 TYR A 3 -3.861 4.514 2.266 1.00 0.00 H +ATOM 51 HB3 TYR A 3 -4.720 3.136 2.894 1.00 0.00 H +ATOM 52 HD1 TYR A 3 -3.211 1.241 3.988 1.00 0.00 H +ATOM 53 HD2 TYR A 3 -1.890 5.287 3.275 1.00 0.00 H +ATOM 54 HE1 TYR A 3 -1.418 0.959 5.689 1.00 0.00 H +ATOM 55 HE2 TYR A 3 -0.083 4.982 4.975 1.00 0.00 H +ATOM 56 HH TYR A 3 0.037 2.243 7.107 1.00 0.00 H +ATOM 57 N ILE A 4 -5.269 1.004 0.959 1.00 0.00 N +ATOM 58 CA ILE A 4 -5.833 -0.356 0.888 1.00 0.00 C +ATOM 59 C ILE A 4 -5.161 -1.164 -0.238 1.00 0.00 C +ATOM 60 O ILE A 4 -4.772 -2.318 -0.049 1.00 0.00 O +ATOM 61 CB ILE A 4 -7.371 -0.313 0.696 1.00 0.00 C +ATOM 62 CG1 ILE A 4 -8.110 0.552 1.752 1.00 0.00 C +ATOM 63 CG2 ILE A 4 -7.954 -1.737 0.753 1.00 0.00 C +ATOM 64 CD1 ILE A 4 -8.509 1.938 1.232 1.00 0.00 C +ATOM 65 H ILE A 4 -5.872 1.790 0.762 1.00 0.00 H +ATOM 66 HA ILE A 4 -5.619 -0.864 1.831 1.00 0.00 H +ATOM 67 HB ILE A 4 -7.587 0.085 -0.297 1.00 0.00 H +ATOM 68 HG12 ILE A 4 -8.999 0.033 2.055 1.00 0.00 H +ATOM 69 HG13 ILE A 4 -7.496 0.664 2.647 1.00 0.00 H +ATOM 70 HG21 ILE A 4 -7.517 -2.368 -0.021 1.00 0.00 H +ATOM 71 HG22 ILE A 4 -7.761 -2.183 1.729 1.00 0.00 H +ATOM 72 HG23 ILE A 4 -9.031 -1.704 0.581 1.00 0.00 H +ATOM 73 HD11 ILE A 4 -7.626 2.563 1.121 1.00 0.00 H +ATOM 74 HD12 ILE A 4 -9.024 1.846 0.274 1.00 0.00 H +ATOM 75 HD13 ILE A 4 -9.188 2.410 1.945 1.00 0.00 H +ATOM 76 N GLN A 5 -5.003 -0.544 -1.411 1.00 0.00 N +ATOM 77 CA GLN A 5 -4.375 -1.125 -2.597 1.00 0.00 C +ATOM 78 C GLN A 5 -2.869 -1.353 -2.405 1.00 0.00 C +ATOM 79 O GLN A 5 -2.354 -2.357 -2.886 1.00 0.00 O +ATOM 80 CB GLN A 5 -4.661 -0.216 -3.809 1.00 0.00 C +ATOM 81 CG GLN A 5 -5.379 -0.927 -4.966 1.00 0.00 C +ATOM 82 CD GLN A 5 -4.417 -1.485 -6.011 1.00 0.00 C +ATOM 83 OE1 GLN A 5 -4.226 -0.906 -7.068 1.00 0.00 O +ATOM 84 NE2 GLN A 5 -3.781 -2.614 -5.772 1.00 0.00 N +ATOM 85 H GLN A 5 -5.256 0.433 -1.455 1.00 0.00 H +ATOM 86 HA GLN A 5 -4.826 -2.102 -2.768 1.00 0.00 H +ATOM 87 HB2 GLN A 5 -5.275 0.600 -3.481 1.00 0.00 H +ATOM 88 HB3 GLN A 5 -3.731 0.222 -4.174 1.00 0.00 H +ATOM 89 HG2 GLN A 5 -5.955 -1.738 -4.564 1.00 0.00 H +ATOM 90 HG3 GLN A 5 -6.017 -0.197 -5.466 1.00 0.00 H +ATOM 91 HE21 GLN A 5 -3.799 -3.091 -4.886 1.00 0.00 H +ATOM 92 HE22 GLN A 5 -3.166 -2.885 -6.520 1.00 0.00 H +ATOM 93 N TRP A 6 -2.181 -0.471 -1.666 1.00 0.00 N +ATOM 94 CA TRP A 6 -0.803 -0.688 -1.216 1.00 0.00 C +ATOM 95 C TRP A 6 -0.702 -1.871 -0.236 1.00 0.00 C +ATOM 96 O TRP A 6 0.137 -2.753 -0.420 1.00 0.00 O +ATOM 97 CB TRP A 6 -0.253 0.612 -0.609 1.00 0.00 C +ATOM 98 CG TRP A 6 1.148 0.524 -0.079 1.00 0.00 C +ATOM 99 CD1 TRP A 6 2.275 0.502 -0.828 1.00 0.00 C +ATOM 100 CD2 TRP A 6 1.590 0.428 1.311 1.00 0.00 C +ATOM 101 NE1 TRP A 6 3.377 0.391 0.000 1.00 0.00 N +ATOM 102 CE2 TRP A 6 3.013 0.346 1.324 1.00 0.00 C +ATOM 103 CE3 TRP A 6 0.937 0.410 2.563 1.00 0.00 C +ATOM 104 CZ2 TRP A 6 3.756 0.265 2.509 1.00 0.00 C +ATOM 105 CZ3 TRP A 6 1.672 0.321 3.762 1.00 0.00 C +ATOM 106 CH2 TRP A 6 3.077 0.254 3.738 1.00 0.00 C +ATOM 107 H TRP A 6 -2.666 0.378 -1.389 1.00 0.00 H +ATOM 108 HA TRP A 6 -0.189 -0.942 -2.080 1.00 0.00 H +ATOM 109 HB2 TRP A 6 -0.274 1.369 -1.369 1.00 0.00 H +ATOM 110 HB3 TRP A 6 -0.902 0.932 0.205 1.00 0.00 H +ATOM 111 HD1 TRP A 6 2.303 0.552 -1.909 1.00 0.00 H +ATOM 112 HE1 TRP A 6 4.354 0.366 -0.301 1.00 0.00 H +ATOM 113 HE3 TRP A 6 -0.141 0.482 2.594 1.00 0.00 H +ATOM 114 HZ2 TRP A 6 4.833 0.212 2.461 1.00 0.00 H +ATOM 115 HZ3 TRP A 6 1.154 0.320 4.711 1.00 0.00 H +ATOM 116 HH2 TRP A 6 3.633 0.202 4.663 1.00 0.00 H +ATOM 117 N LEU A 7 -1.584 -1.939 0.773 1.00 0.00 N +ATOM 118 CA LEU A 7 -1.618 -3.061 1.719 1.00 0.00 C +ATOM 119 C LEU A 7 -1.896 -4.418 1.055 1.00 0.00 C +ATOM 120 O LEU A 7 -1.383 -5.420 1.551 1.00 0.00 O +ATOM 121 CB LEU A 7 -2.638 -2.803 2.843 1.00 0.00 C +ATOM 122 CG LEU A 7 -2.158 -1.828 3.935 1.00 0.00 C +ATOM 123 CD1 LEU A 7 -3.332 -1.509 4.865 1.00 0.00 C +ATOM 124 CD2 LEU A 7 -1.029 -2.411 4.793 1.00 0.00 C +ATOM 125 H LEU A 7 -2.238 -1.169 0.902 1.00 0.00 H +ATOM 126 HA LEU A 7 -0.625 -3.152 2.159 1.00 0.00 H +ATOM 127 HB2 LEU A 7 -3.528 -2.398 2.401 1.00 0.00 H +ATOM 128 HB3 LEU A 7 -2.875 -3.753 3.326 1.00 0.00 H +ATOM 129 HG LEU A 7 -1.813 -0.903 3.475 1.00 0.00 H +ATOM 130 HD11 LEU A 7 -4.138 -1.046 4.295 1.00 0.00 H +ATOM 131 HD12 LEU A 7 -3.701 -2.424 5.328 1.00 0.00 H +ATOM 132 HD13 LEU A 7 -3.014 -0.822 5.647 1.00 0.00 H +ATOM 133 HD21 LEU A 7 -1.366 -3.322 5.290 1.00 0.00 H +ATOM 134 HD22 LEU A 7 -0.162 -2.644 4.181 1.00 0.00 H +ATOM 135 HD23 LEU A 7 -0.726 -1.685 5.547 1.00 0.00 H +ATOM 136 N LYS A 8 -2.649 -4.469 -0.060 1.00 0.00 N +ATOM 137 CA LYS A 8 -2.926 -5.712 -0.805 1.00 0.00 C +ATOM 138 C LYS A 8 -1.673 -6.493 -1.213 1.00 0.00 C +ATOM 139 O LYS A 8 -1.747 -7.718 -1.261 1.00 0.00 O +ATOM 140 CB LYS A 8 -3.745 -5.435 -2.077 1.00 0.00 C +ATOM 141 CG LYS A 8 -5.245 -5.187 -1.834 1.00 0.00 C +ATOM 142 CD LYS A 8 -6.112 -6.160 -2.652 1.00 0.00 C +ATOM 143 CE LYS A 8 -6.013 -7.607 -2.144 1.00 0.00 C +ATOM 144 NZ LYS A 8 -6.775 -7.803 -0.889 1.00 0.00 N +ATOM 145 H LYS A 8 -3.091 -3.603 -0.351 1.00 0.00 H +ATOM 146 HA LYS A 8 -3.486 -6.385 -0.157 1.00 0.00 H +ATOM 147 HB2 LYS A 8 -3.336 -4.566 -2.556 1.00 0.00 H +ATOM 148 HB3 LYS A 8 -3.629 -6.287 -2.748 1.00 0.00 H +ATOM 149 HG2 LYS A 8 -5.457 -5.322 -0.791 1.00 0.00 H +ATOM 150 HG3 LYS A 8 -5.483 -4.171 -2.145 1.00 0.00 H +ATOM 151 HD2 LYS A 8 -7.135 -5.843 -2.591 1.00 0.00 H +ATOM 152 HD3 LYS A 8 -5.787 -6.129 -3.694 1.00 0.00 H +ATOM 153 HE2 LYS A 8 -6.405 -8.266 -2.895 1.00 0.00 H +ATOM 154 HE3 LYS A 8 -4.957 -7.857 -1.989 1.00 0.00 H +ATOM 155 HZ1 LYS A 8 -6.431 -7.175 -0.174 1.00 0.00 H +ATOM 156 HZ2 LYS A 8 -7.755 -7.610 -1.046 1.00 0.00 H +ATOM 157 HZ3 LYS A 8 -6.676 -8.755 -0.564 1.00 0.00 H +ATOM 158 N ASP A 9 -0.575 -5.806 -1.542 1.00 0.00 N +ATOM 159 CA ASP A 9 0.679 -6.439 -1.960 1.00 0.00 C +ATOM 160 C ASP A 9 1.407 -7.073 -0.759 1.00 0.00 C +ATOM 161 O ASP A 9 1.771 -8.246 -0.798 1.00 0.00 O +ATOM 162 CB ASP A 9 1.529 -5.384 -2.684 1.00 0.00 C +ATOM 163 CG ASP A 9 2.629 -6.016 -3.539 1.00 0.00 C +ATOM 164 OD1 ASP A 9 3.661 -6.415 -2.960 1.00 0.00 O +ATOM 165 OD2 ASP A 9 2.415 -6.083 -4.770 1.00 0.00 O +ATOM 166 H ASP A 9 -0.608 -4.796 -1.483 1.00 0.00 H +ATOM 167 HA ASP A 9 0.451 -7.236 -2.670 1.00 0.00 H +ATOM 168 HB2 ASP A 9 0.890 -4.801 -3.319 1.00 0.00 H +ATOM 169 HB3 ASP A 9 1.960 -4.694 -1.962 1.00 0.00 H +ATOM 170 N GLY A 10 1.538 -6.316 0.338 1.00 0.00 N +ATOM 171 CA GLY A 10 2.154 -6.771 1.590 1.00 0.00 C +ATOM 172 C GLY A 10 2.656 -5.655 2.516 1.00 0.00 C +ATOM 173 O GLY A 10 3.600 -5.875 3.278 1.00 0.00 O +ATOM 174 H GLY A 10 1.219 -5.364 0.236 1.00 0.00 H +ATOM 175 HA2 GLY A 10 1.421 -7.360 2.140 1.00 0.00 H +ATOM 176 HA3 GLY A 10 2.998 -7.420 1.354 1.00 0.00 H +ATOM 177 N GLY A 11 2.069 -4.451 2.456 1.00 0.00 N +ATOM 178 CA GLY A 11 2.511 -3.295 3.240 1.00 0.00 C +ATOM 179 C GLY A 11 4.009 -2.997 3.049 1.00 0.00 C +ATOM 180 O GLY A 11 4.473 -2.994 1.904 1.00 0.00 O +ATOM 181 H GLY A 11 1.299 -4.330 1.814 1.00 0.00 H +ATOM 182 HA2 GLY A 11 1.950 -2.415 2.922 1.00 0.00 H +ATOM 183 HA3 GLY A 11 2.285 -3.490 4.287 1.00 0.00 H +ATOM 184 N PRO A 12 4.798 -2.757 4.119 1.00 0.00 N +ATOM 185 CA PRO A 12 6.237 -2.490 4.008 1.00 0.00 C +ATOM 186 C PRO A 12 7.033 -3.579 3.271 1.00 0.00 C +ATOM 187 O PRO A 12 8.035 -3.275 2.626 1.00 0.00 O +ATOM 188 CB PRO A 12 6.745 -2.333 5.447 1.00 0.00 C +ATOM 189 CG PRO A 12 5.496 -1.973 6.248 1.00 0.00 C +ATOM 190 CD PRO A 12 4.382 -2.715 5.512 1.00 0.00 C +ATOM 191 HA PRO A 12 6.371 -1.546 3.479 1.00 0.00 H +ATOM 192 HB2 PRO A 12 7.173 -3.251 5.802 1.00 0.00 H +ATOM 193 HB3 PRO A 12 7.505 -1.553 5.517 1.00 0.00 H +ATOM 194 HG2 PRO A 12 5.579 -2.312 7.263 1.00 0.00 H +ATOM 195 HG3 PRO A 12 5.320 -0.898 6.189 1.00 0.00 H +ATOM 196 HD2 PRO A 12 4.273 -3.709 5.901 1.00 0.00 H +ATOM 197 HD3 PRO A 12 3.437 -2.188 5.641 1.00 0.00 H +ATOM 198 N SER A 13 6.580 -4.841 3.318 1.00 0.00 N +ATOM 199 CA SER A 13 7.226 -5.980 2.655 1.00 0.00 C +ATOM 200 C SER A 13 6.995 -6.022 1.132 1.00 0.00 C +ATOM 201 O SER A 13 7.473 -6.945 0.480 1.00 0.00 O +ATOM 202 CB SER A 13 6.775 -7.286 3.323 1.00 0.00 C +ATOM 203 OG SER A 13 7.214 -7.315 4.671 1.00 0.00 O +ATOM 204 H SER A 13 5.719 -5.035 3.818 1.00 0.00 H +ATOM 205 HA SER A 13 8.303 -5.894 2.797 1.00 0.00 H +ATOM 206 HB2 SER A 13 5.704 -7.348 3.296 1.00 0.00 H +ATOM 207 HB3 SER A 13 7.200 -8.143 2.797 1.00 0.00 H +ATOM 208 HG SER A 13 8.172 -7.390 4.683 1.00 0.00 H +ATOM 209 N SER A 14 6.312 -5.020 0.559 1.00 0.00 N +ATOM 210 CA SER A 14 6.003 -4.909 -0.880 1.00 0.00 C +ATOM 211 C SER A 14 7.153 -4.342 -1.729 1.00 0.00 C +ATOM 212 O SER A 14 7.036 -4.271 -2.950 1.00 0.00 O +ATOM 213 CB SER A 14 4.797 -3.981 -1.103 1.00 0.00 C +ATOM 214 OG SER A 14 3.761 -4.194 -0.169 1.00 0.00 O +ATOM 215 H SER A 14 5.943 -4.308 1.175 1.00 0.00 H +ATOM 216 HA SER A 14 5.743 -5.896 -1.266 1.00 0.00 H +ATOM 217 HB2 SER A 14 5.128 -2.964 -1.021 1.00 0.00 H +ATOM 218 HB3 SER A 14 4.414 -4.137 -2.112 1.00 0.00 H +ATOM 219 HG SER A 14 4.006 -3.709 0.659 1.00 0.00 H +ATOM 220 N GLY A 15 8.240 -3.857 -1.110 1.00 0.00 N +ATOM 221 CA GLY A 15 9.347 -3.207 -1.825 1.00 0.00 C +ATOM 222 C GLY A 15 9.072 -1.761 -2.273 1.00 0.00 C +ATOM 223 O GLY A 15 9.838 -1.222 -3.067 1.00 0.00 O +ATOM 224 H GLY A 15 8.290 -3.959 -0.106 1.00 0.00 H +ATOM 225 HA2 GLY A 15 10.231 -3.198 -1.187 1.00 0.00 H +ATOM 226 HA3 GLY A 15 9.588 -3.789 -2.715 1.00 0.00 H +ATOM 227 N ARG A 16 7.994 -1.127 -1.781 1.00 0.00 N +ATOM 228 CA ARG A 16 7.572 0.231 -2.153 1.00 0.00 C +ATOM 229 C ARG A 16 6.983 0.981 -0.944 1.00 0.00 C +ATOM 230 O ARG A 16 6.181 0.382 -0.224 1.00 0.00 O +ATOM 231 CB ARG A 16 6.533 0.117 -3.285 1.00 0.00 C +ATOM 232 CG ARG A 16 6.200 1.481 -3.901 1.00 0.00 C +ATOM 233 CD ARG A 16 5.147 1.363 -5.008 1.00 0.00 C +ATOM 234 NE ARG A 16 5.045 2.615 -5.780 1.00 0.00 N +ATOM 235 CZ ARG A 16 4.495 3.765 -5.404 1.00 0.00 C +ATOM 236 NH1 ARG A 16 3.939 3.937 -4.225 1.00 0.00 N +ATOM 237 NH2 ARG A 16 4.510 4.784 -6.232 1.00 0.00 N +ATOM 238 H ARG A 16 7.425 -1.634 -1.117 1.00 0.00 H +ATOM 239 HA ARG A 16 8.445 0.765 -2.527 1.00 0.00 H +ATOM 240 HB2 ARG A 16 6.925 -0.523 -4.052 1.00 0.00 H +ATOM 241 HB3 ARG A 16 5.621 -0.343 -2.899 1.00 0.00 H +ATOM 242 HG2 ARG A 16 5.824 2.127 -3.131 1.00 0.00 H +ATOM 243 HG3 ARG A 16 7.111 1.904 -4.324 1.00 0.00 H +ATOM 244 HD2 ARG A 16 5.422 0.565 -5.670 1.00 0.00 H +ATOM 245 HD3 ARG A 16 4.180 1.105 -4.573 1.00 0.00 H +ATOM 246 HE ARG A 16 5.452 2.594 -6.699 1.00 0.00 H +ATOM 247 HH11 ARG A 16 3.987 3.199 -3.541 1.00 0.00 H +ATOM 248 HH12 ARG A 16 3.537 4.819 -3.965 1.00 0.00 H +ATOM 249 HH21 ARG A 16 4.943 4.701 -7.136 1.00 0.00 H +ATOM 250 HH22 ARG A 16 4.103 5.659 -5.956 1.00 0.00 H +ATOM 251 N PRO A 17 7.298 2.279 -0.734 1.00 0.00 N +ATOM 252 CA PRO A 17 6.723 3.073 0.357 1.00 0.00 C +ATOM 253 C PRO A 17 5.203 3.301 0.202 1.00 0.00 C +ATOM 254 O PRO A 17 4.670 3.166 -0.908 1.00 0.00 O +ATOM 255 CB PRO A 17 7.497 4.399 0.343 1.00 0.00 C +ATOM 256 CG PRO A 17 7.943 4.539 -1.109 1.00 0.00 C +ATOM 257 CD PRO A 17 8.231 3.093 -1.505 1.00 0.00 C +ATOM 258 HA PRO A 17 6.912 2.560 1.300 1.00 0.00 H +ATOM 259 HB2 PRO A 17 6.863 5.216 0.629 1.00 0.00 H +ATOM 260 HB3 PRO A 17 8.374 4.317 0.985 1.00 0.00 H +ATOM 261 HG2 PRO A 17 7.164 4.960 -1.715 1.00 0.00 H +ATOM 262 HG3 PRO A 17 8.827 5.172 -1.206 1.00 0.00 H +ATOM 263 HD2 PRO A 17 8.069 2.954 -2.556 1.00 0.00 H +ATOM 264 HD3 PRO A 17 9.253 2.834 -1.225 1.00 0.00 H +ATOM 265 N PRO A 18 4.505 3.662 1.301 1.00 0.00 N +ATOM 266 CA PRO A 18 3.065 3.925 1.293 1.00 0.00 C +ATOM 267 C PRO A 18 2.700 5.218 0.535 1.00 0.00 C +ATOM 268 O PRO A 18 3.563 6.066 0.303 1.00 0.00 O +ATOM 269 CB PRO A 18 2.661 4.003 2.774 1.00 0.00 C +ATOM 270 CG PRO A 18 3.933 4.476 3.472 1.00 0.00 C +ATOM 271 CD PRO A 18 5.039 3.819 2.649 1.00 0.00 C +ATOM 272 HA PRO A 18 2.557 3.083 0.827 1.00 0.00 H +ATOM 273 HB2 PRO A 18 1.863 4.706 2.916 1.00 0.00 H +ATOM 274 HB3 PRO A 18 2.402 3.008 3.132 1.00 0.00 H +ATOM 275 HG2 PRO A 18 4.014 5.546 3.443 1.00 0.00 H +ATOM 276 HG3 PRO A 18 3.962 4.161 4.516 1.00 0.00 H +ATOM 277 HD2 PRO A 18 5.912 4.443 2.633 1.00 0.00 H +ATOM 278 HD3 PRO A 18 5.271 2.838 3.065 1.00 0.00 H +ATOM 279 N PRO A 19 1.420 5.389 0.147 1.00 0.00 N +ATOM 280 CA PRO A 19 0.934 6.590 -0.541 1.00 0.00 C +ATOM 281 C PRO A 19 0.630 7.773 0.396 1.00 0.00 C +ATOM 282 O PRO A 19 0.546 8.904 -0.075 1.00 0.00 O +ATOM 283 CB PRO A 19 -0.347 6.136 -1.247 1.00 0.00 C +ATOM 284 CG PRO A 19 -0.893 5.051 -0.317 1.00 0.00 C +ATOM 285 CD PRO A 19 0.371 4.378 0.209 1.00 0.00 C +ATOM 286 HA PRO A 19 1.659 6.921 -1.282 1.00 0.00 H +ATOM 287 HB2 PRO A 19 -1.043 6.948 -1.342 1.00 0.00 H +ATOM 288 HB3 PRO A 19 -0.093 5.696 -2.212 1.00 0.00 H +ATOM 289 HG2 PRO A 19 -1.462 5.481 0.484 1.00 0.00 H +ATOM 290 HG3 PRO A 19 -1.521 4.344 -0.854 1.00 0.00 H +ATOM 291 HD2 PRO A 19 0.226 4.052 1.221 1.00 0.00 H +ATOM 292 HD3 PRO A 19 0.641 3.547 -0.443 1.00 0.00 H +ATOM 293 N SER A 20 0.436 7.512 1.697 1.00 0.00 N +ATOM 294 CA SER A 20 0.332 8.504 2.776 1.00 0.00 C +ATOM 295 C SER A 20 1.687 8.700 3.451 1.00 0.00 C +ATOM 296 O SER A 20 2.070 9.878 3.606 1.00 0.00 O +ATOM 297 CB SER A 20 -0.673 8.043 3.830 1.00 0.00 C +ATOM 298 OG SER A 20 -1.935 7.948 3.212 1.00 0.00 O +ATOM 299 OXT SER A 20 2.277 7.664 3.828 1.00 0.00 O +ATOM 300 H SER A 20 0.578 6.559 1.993 1.00 0.00 H +ATOM 301 HA SER A 20 0.032 9.475 2.381 1.00 0.00 H +ATOM 302 HB2 SER A 20 -0.383 7.085 4.216 1.00 0.00 H +ATOM 303 HB3 SER A 20 -0.705 8.762 4.652 1.00 0.00 H +ATOM 304 HG SER A 20 -1.800 8.230 2.302 1.00 0.00 H +TER 305 SER A 20 +ENDMDL +MODEL 8 +ATOM 1 N ASN A 1 -8.769 4.941 0.058 1.00 0.00 N +ATOM 2 CA ASN A 1 -8.628 3.743 -0.810 1.00 0.00 C +ATOM 3 C ASN A 1 -7.194 3.417 -1.223 1.00 0.00 C +ATOM 4 O ASN A 1 -6.825 2.255 -1.104 1.00 0.00 O +ATOM 5 CB ASN A 1 -9.576 3.798 -2.012 1.00 0.00 C +ATOM 6 CG ASN A 1 -10.980 3.563 -1.485 1.00 0.00 C +ATOM 7 OD1 ASN A 1 -11.581 4.475 -0.943 1.00 0.00 O +ATOM 8 ND2 ASN A 1 -11.465 2.335 -1.495 1.00 0.00 N +ATOM 9 H1 ASN A 1 -8.177 4.864 0.873 1.00 0.00 H +ATOM 10 H2 ASN A 1 -8.539 5.782 -0.450 1.00 0.00 H +ATOM 11 H3 ASN A 1 -9.736 5.016 0.359 1.00 0.00 H +ATOM 12 HA ASN A 1 -8.940 2.881 -0.218 1.00 0.00 H +ATOM 13 HB2 ASN A 1 -9.516 4.760 -2.484 1.00 0.00 H +ATOM 14 HB3 ASN A 1 -9.322 3.021 -2.735 1.00 0.00 H +ATOM 15 HD21 ASN A 1 -10.980 1.548 -1.895 1.00 0.00 H +ATOM 16 HD22 ASN A 1 -12.387 2.236 -1.101 1.00 0.00 H +ATOM 17 N LEU A 2 -6.386 4.385 -1.677 1.00 0.00 N +ATOM 18 CA LEU A 2 -4.979 4.182 -2.071 1.00 0.00 C +ATOM 19 C LEU A 2 -4.170 3.301 -1.091 1.00 0.00 C +ATOM 20 O LEU A 2 -3.510 2.351 -1.513 1.00 0.00 O +ATOM 21 CB LEU A 2 -4.298 5.547 -2.330 1.00 0.00 C +ATOM 22 CG LEU A 2 -4.562 6.652 -1.277 1.00 0.00 C +ATOM 23 CD1 LEU A 2 -3.311 7.480 -1.001 1.00 0.00 C +ATOM 24 CD2 LEU A 2 -5.661 7.624 -1.728 1.00 0.00 C +ATOM 25 H LEU A 2 -6.742 5.314 -1.830 1.00 0.00 H +ATOM 26 HA LEU A 2 -4.973 3.640 -3.018 1.00 0.00 H +ATOM 27 HB2 LEU A 2 -3.239 5.382 -2.373 1.00 0.00 H +ATOM 28 HB3 LEU A 2 -4.613 5.914 -3.308 1.00 0.00 H +ATOM 29 HG LEU A 2 -4.870 6.194 -0.336 1.00 0.00 H +ATOM 30 HD11 LEU A 2 -2.556 6.855 -0.534 1.00 0.00 H +ATOM 31 HD12 LEU A 2 -2.907 7.891 -1.928 1.00 0.00 H +ATOM 32 HD13 LEU A 2 -3.544 8.302 -0.323 1.00 0.00 H +ATOM 33 HD21 LEU A 2 -5.277 8.270 -2.519 1.00 0.00 H +ATOM 34 HD22 LEU A 2 -6.532 7.099 -2.108 1.00 0.00 H +ATOM 35 HD23 LEU A 2 -5.957 8.251 -0.887 1.00 0.00 H +ATOM 36 N TYR A 3 -4.272 3.566 0.214 1.00 0.00 N +ATOM 37 CA TYR A 3 -3.591 2.791 1.257 1.00 0.00 C +ATOM 38 C TYR A 3 -4.035 1.316 1.320 1.00 0.00 C +ATOM 39 O TYR A 3 -3.216 0.439 1.587 1.00 0.00 O +ATOM 40 CB TYR A 3 -3.809 3.489 2.607 1.00 0.00 C +ATOM 41 CG TYR A 3 -2.680 3.265 3.592 1.00 0.00 C +ATOM 42 CD1 TYR A 3 -2.635 2.094 4.373 1.00 0.00 C +ATOM 43 CD2 TYR A 3 -1.676 4.243 3.732 1.00 0.00 C +ATOM 44 CE1 TYR A 3 -1.601 1.916 5.312 1.00 0.00 C +ATOM 45 CE2 TYR A 3 -0.650 4.078 4.679 1.00 0.00 C +ATOM 46 CZ TYR A 3 -0.618 2.916 5.478 1.00 0.00 C +ATOM 47 OH TYR A 3 0.344 2.765 6.428 1.00 0.00 O +ATOM 48 H TYR A 3 -4.793 4.381 0.493 1.00 0.00 H +ATOM 49 HA TYR A 3 -2.522 2.805 1.039 1.00 0.00 H +ATOM 50 HB2 TYR A 3 -3.904 4.544 2.433 1.00 0.00 H +ATOM 51 HB3 TYR A 3 -4.748 3.153 3.047 1.00 0.00 H +ATOM 52 HD1 TYR A 3 -3.397 1.337 4.260 1.00 0.00 H +ATOM 53 HD2 TYR A 3 -1.691 5.139 3.130 1.00 0.00 H +ATOM 54 HE1 TYR A 3 -1.558 1.031 5.929 1.00 0.00 H +ATOM 55 HE2 TYR A 3 0.099 4.851 4.791 1.00 0.00 H +ATOM 56 HH TYR A 3 0.794 3.595 6.593 1.00 0.00 H +ATOM 57 N ILE A 4 -5.312 1.025 1.029 1.00 0.00 N +ATOM 58 CA ILE A 4 -5.855 -0.341 0.979 1.00 0.00 C +ATOM 59 C ILE A 4 -5.188 -1.123 -0.163 1.00 0.00 C +ATOM 60 O ILE A 4 -4.740 -2.254 0.031 1.00 0.00 O +ATOM 61 CB ILE A 4 -7.398 -0.328 0.820 1.00 0.00 C +ATOM 62 CG1 ILE A 4 -8.143 0.621 1.794 1.00 0.00 C +ATOM 63 CG2 ILE A 4 -7.976 -1.749 0.938 1.00 0.00 C +ATOM 64 CD1 ILE A 4 -7.792 0.462 3.281 1.00 0.00 C +ATOM 65 H ILE A 4 -5.901 1.775 0.693 1.00 0.00 H +ATOM 66 HA ILE A 4 -5.609 -0.846 1.915 1.00 0.00 H +ATOM 67 HB ILE A 4 -7.635 0.015 -0.186 1.00 0.00 H +ATOM 68 HG12 ILE A 4 -7.917 1.630 1.508 1.00 0.00 H +ATOM 69 HG13 ILE A 4 -9.215 0.465 1.676 1.00 0.00 H +ATOM 70 HG21 ILE A 4 -7.579 -2.387 0.147 1.00 0.00 H +ATOM 71 HG22 ILE A 4 -7.724 -2.190 1.903 1.00 0.00 H +ATOM 72 HG23 ILE A 4 -9.062 -1.721 0.834 1.00 0.00 H +ATOM 73 HD11 ILE A 4 -7.711 -0.590 3.551 1.00 0.00 H +ATOM 74 HD12 ILE A 4 -6.848 0.965 3.496 1.00 0.00 H +ATOM 75 HD13 ILE A 4 -8.578 0.918 3.885 1.00 0.00 H +ATOM 76 N GLN A 5 -5.075 -0.498 -1.343 1.00 0.00 N +ATOM 77 CA GLN A 5 -4.362 -1.071 -2.489 1.00 0.00 C +ATOM 78 C GLN A 5 -2.867 -1.283 -2.198 1.00 0.00 C +ATOM 79 O GLN A 5 -2.320 -2.311 -2.590 1.00 0.00 O +ATOM 80 CB GLN A 5 -4.555 -0.198 -3.737 1.00 0.00 C +ATOM 81 CG GLN A 5 -5.995 -0.248 -4.266 1.00 0.00 C +ATOM 82 CD GLN A 5 -6.126 0.517 -5.579 1.00 0.00 C +ATOM 83 OE1 GLN A 5 -5.978 -0.031 -6.658 1.00 0.00 O +ATOM 84 NE2 GLN A 5 -6.401 1.806 -5.540 1.00 0.00 N +ATOM 85 H GLN A 5 -5.445 0.441 -1.413 1.00 0.00 H +ATOM 86 HA GLN A 5 -4.782 -2.057 -2.696 1.00 0.00 H +ATOM 87 HB2 GLN A 5 -4.314 0.818 -3.488 1.00 0.00 H +ATOM 88 HB3 GLN A 5 -3.891 -0.565 -4.522 1.00 0.00 H +ATOM 89 HG2 GLN A 5 -6.273 -1.272 -4.428 1.00 0.00 H +ATOM 90 HG3 GLN A 5 -6.680 0.175 -3.530 1.00 0.00 H +ATOM 91 HE21 GLN A 5 -6.520 2.309 -4.682 1.00 0.00 H +ATOM 92 HE22 GLN A 5 -6.457 2.229 -6.452 1.00 0.00 H +ATOM 93 N TRP A 6 -2.207 -0.362 -1.483 1.00 0.00 N +ATOM 94 CA TRP A 6 -0.824 -0.567 -1.033 1.00 0.00 C +ATOM 95 C TRP A 6 -0.685 -1.753 -0.064 1.00 0.00 C +ATOM 96 O TRP A 6 0.203 -2.588 -0.244 1.00 0.00 O +ATOM 97 CB TRP A 6 -0.276 0.722 -0.418 1.00 0.00 C +ATOM 98 CG TRP A 6 1.118 0.612 0.126 1.00 0.00 C +ATOM 99 CD1 TRP A 6 2.254 0.594 -0.609 1.00 0.00 C +ATOM 100 CD2 TRP A 6 1.544 0.501 1.519 1.00 0.00 C +ATOM 101 NE1 TRP A 6 3.347 0.461 0.227 1.00 0.00 N +ATOM 102 CE2 TRP A 6 2.967 0.413 1.548 1.00 0.00 C +ATOM 103 CE3 TRP A 6 0.878 0.488 2.764 1.00 0.00 C +ATOM 104 CZ2 TRP A 6 3.697 0.331 2.741 1.00 0.00 C +ATOM 105 CZ3 TRP A 6 1.600 0.402 3.971 1.00 0.00 C +ATOM 106 CH2 TRP A 6 3.004 0.331 3.961 1.00 0.00 C +ATOM 107 H TRP A 6 -2.689 0.503 -1.249 1.00 0.00 H +ATOM 108 HA TRP A 6 -0.214 -0.807 -1.905 1.00 0.00 H +ATOM 109 HB2 TRP A 6 -0.281 1.482 -1.175 1.00 0.00 H +ATOM 110 HB3 TRP A 6 -0.933 1.043 0.389 1.00 0.00 H +ATOM 111 HD1 TRP A 6 2.293 0.681 -1.686 1.00 0.00 H +ATOM 112 HE1 TRP A 6 4.326 0.458 -0.069 1.00 0.00 H +ATOM 113 HE3 TRP A 6 -0.200 0.564 2.787 1.00 0.00 H +ATOM 114 HZ2 TRP A 6 4.776 0.281 2.705 1.00 0.00 H +ATOM 115 HZ3 TRP A 6 1.071 0.411 4.914 1.00 0.00 H +ATOM 116 HH2 TRP A 6 3.548 0.291 4.893 1.00 0.00 H +ATOM 117 N LEU A 7 -1.580 -1.874 0.927 1.00 0.00 N +ATOM 118 CA LEU A 7 -1.599 -3.031 1.829 1.00 0.00 C +ATOM 119 C LEU A 7 -1.786 -4.356 1.073 1.00 0.00 C +ATOM 120 O LEU A 7 -1.124 -5.333 1.422 1.00 0.00 O +ATOM 121 CB LEU A 7 -2.674 -2.852 2.916 1.00 0.00 C +ATOM 122 CG LEU A 7 -2.324 -1.798 3.986 1.00 0.00 C +ATOM 123 CD1 LEU A 7 -3.552 -1.544 4.867 1.00 0.00 C +ATOM 124 CD2 LEU A 7 -1.168 -2.243 4.890 1.00 0.00 C +ATOM 125 H LEU A 7 -2.270 -1.136 1.054 1.00 0.00 H +ATOM 126 HA LEU A 7 -0.625 -3.099 2.308 1.00 0.00 H +ATOM 127 HB2 LEU A 7 -3.588 -2.556 2.439 1.00 0.00 H +ATOM 128 HB3 LEU A 7 -2.827 -3.808 3.419 1.00 0.00 H +ATOM 129 HG LEU A 7 -2.045 -0.863 3.506 1.00 0.00 H +ATOM 130 HD11 LEU A 7 -4.374 -1.176 4.252 1.00 0.00 H +ATOM 131 HD12 LEU A 7 -3.856 -2.467 5.361 1.00 0.00 H +ATOM 132 HD13 LEU A 7 -3.318 -0.796 5.624 1.00 0.00 H +ATOM 133 HD21 LEU A 7 -1.414 -3.187 5.378 1.00 0.00 H +ATOM 134 HD22 LEU A 7 -0.257 -2.363 4.309 1.00 0.00 H +ATOM 135 HD23 LEU A 7 -0.985 -1.485 5.652 1.00 0.00 H +ATOM 136 N LYS A 8 -2.609 -4.385 0.009 1.00 0.00 N +ATOM 137 CA LYS A 8 -2.835 -5.565 -0.847 1.00 0.00 C +ATOM 138 C LYS A 8 -1.558 -6.137 -1.482 1.00 0.00 C +ATOM 139 O LYS A 8 -1.510 -7.335 -1.746 1.00 0.00 O +ATOM 140 CB LYS A 8 -3.872 -5.210 -1.927 1.00 0.00 C +ATOM 141 CG LYS A 8 -4.472 -6.419 -2.672 1.00 0.00 C +ATOM 142 CD LYS A 8 -3.967 -6.562 -4.118 1.00 0.00 C +ATOM 143 CE LYS A 8 -4.912 -7.488 -4.895 1.00 0.00 C +ATOM 144 NZ LYS A 8 -4.381 -7.814 -6.240 1.00 0.00 N +ATOM 145 H LYS A 8 -3.146 -3.541 -0.174 1.00 0.00 H +ATOM 146 HA LYS A 8 -3.247 -6.357 -0.218 1.00 0.00 H +ATOM 147 HB2 LYS A 8 -4.675 -4.677 -1.456 1.00 0.00 H +ATOM 148 HB3 LYS A 8 -3.417 -4.531 -2.647 1.00 0.00 H +ATOM 149 HG2 LYS A 8 -4.216 -7.311 -2.133 1.00 0.00 H +ATOM 150 HG3 LYS A 8 -5.554 -6.284 -2.697 1.00 0.00 H +ATOM 151 HD2 LYS A 8 -3.944 -5.597 -4.587 1.00 0.00 H +ATOM 152 HD3 LYS A 8 -2.954 -6.968 -4.111 1.00 0.00 H +ATOM 153 HE2 LYS A 8 -5.039 -8.398 -4.342 1.00 0.00 H +ATOM 154 HE3 LYS A 8 -5.879 -6.986 -4.990 1.00 0.00 H +ATOM 155 HZ1 LYS A 8 -4.156 -6.967 -6.745 1.00 0.00 H +ATOM 156 HZ2 LYS A 8 -3.540 -8.372 -6.153 1.00 0.00 H +ATOM 157 HZ3 LYS A 8 -5.066 -8.339 -6.770 1.00 0.00 H +ATOM 158 N ASP A 9 -0.531 -5.310 -1.709 1.00 0.00 N +ATOM 159 CA ASP A 9 0.782 -5.753 -2.199 1.00 0.00 C +ATOM 160 C ASP A 9 1.608 -6.478 -1.111 1.00 0.00 C +ATOM 161 O ASP A 9 2.514 -7.238 -1.445 1.00 0.00 O +ATOM 162 CB ASP A 9 1.552 -4.536 -2.756 1.00 0.00 C +ATOM 163 CG ASP A 9 2.243 -4.819 -4.098 1.00 0.00 C +ATOM 164 OD1 ASP A 9 1.520 -4.894 -5.114 1.00 0.00 O +ATOM 165 OD2 ASP A 9 3.496 -4.834 -4.151 1.00 0.00 O +ATOM 166 H ASP A 9 -0.652 -4.327 -1.493 1.00 0.00 H +ATOM 167 HA ASP A 9 0.624 -6.460 -3.016 1.00 0.00 H +ATOM 168 HB2 ASP A 9 0.860 -3.728 -2.893 1.00 0.00 H +ATOM 169 HB3 ASP A 9 2.281 -4.194 -2.021 1.00 0.00 H +ATOM 170 N GLY A 10 1.277 -6.270 0.176 1.00 0.00 N +ATOM 171 CA GLY A 10 2.025 -6.755 1.345 1.00 0.00 C +ATOM 172 C GLY A 10 2.511 -5.652 2.302 1.00 0.00 C +ATOM 173 O GLY A 10 3.330 -5.927 3.184 1.00 0.00 O +ATOM 174 H GLY A 10 0.421 -5.751 0.355 1.00 0.00 H +ATOM 175 HA2 GLY A 10 1.382 -7.428 1.912 1.00 0.00 H +ATOM 176 HA3 GLY A 10 2.898 -7.318 1.016 1.00 0.00 H +ATOM 177 N GLY A 11 2.061 -4.397 2.131 1.00 0.00 N +ATOM 178 CA GLY A 11 2.503 -3.261 2.946 1.00 0.00 C +ATOM 179 C GLY A 11 4.031 -3.074 2.887 1.00 0.00 C +ATOM 180 O GLY A 11 4.595 -3.162 1.791 1.00 0.00 O +ATOM 181 H GLY A 11 1.442 -4.219 1.351 1.00 0.00 H +ATOM 182 HA2 GLY A 11 2.030 -2.351 2.579 1.00 0.00 H +ATOM 183 HA3 GLY A 11 2.173 -3.433 3.969 1.00 0.00 H +ATOM 184 N PRO A 12 4.729 -2.844 4.022 1.00 0.00 N +ATOM 185 CA PRO A 12 6.186 -2.657 4.057 1.00 0.00 C +ATOM 186 C PRO A 12 7.000 -3.804 3.440 1.00 0.00 C +ATOM 187 O PRO A 12 8.098 -3.571 2.938 1.00 0.00 O +ATOM 188 CB PRO A 12 6.560 -2.503 5.537 1.00 0.00 C +ATOM 189 CG PRO A 12 5.258 -2.091 6.219 1.00 0.00 C +ATOM 190 CD PRO A 12 4.187 -2.773 5.373 1.00 0.00 C +ATOM 191 HA PRO A 12 6.428 -1.733 3.531 1.00 0.00 H +ATOM 192 HB2 PRO A 12 6.920 -3.432 5.936 1.00 0.00 H +ATOM 193 HB3 PRO A 12 7.339 -1.752 5.678 1.00 0.00 H +ATOM 194 HG2 PRO A 12 5.228 -2.441 7.233 1.00 0.00 H +ATOM 195 HG3 PRO A 12 5.143 -1.008 6.161 1.00 0.00 H +ATOM 196 HD2 PRO A 12 3.987 -3.759 5.747 1.00 0.00 H +ATOM 197 HD3 PRO A 12 3.262 -2.198 5.412 1.00 0.00 H +ATOM 198 N SER A 13 6.470 -5.035 3.441 1.00 0.00 N +ATOM 199 CA SER A 13 7.162 -6.235 2.936 1.00 0.00 C +ATOM 200 C SER A 13 7.153 -6.352 1.402 1.00 0.00 C +ATOM 201 O SER A 13 7.495 -7.398 0.861 1.00 0.00 O +ATOM 202 CB SER A 13 6.574 -7.490 3.595 1.00 0.00 C +ATOM 203 OG SER A 13 6.813 -7.451 4.988 1.00 0.00 O +ATOM 204 H SER A 13 5.505 -5.137 3.737 1.00 0.00 H +ATOM 205 HA SER A 13 8.211 -6.179 3.232 1.00 0.00 H +ATOM 206 HB2 SER A 13 5.517 -7.526 3.415 1.00 0.00 H +ATOM 207 HB3 SER A 13 7.054 -8.380 3.187 1.00 0.00 H +ATOM 208 HG SER A 13 6.443 -6.640 5.343 1.00 0.00 H +ATOM 209 N SER A 14 6.767 -5.279 0.701 1.00 0.00 N +ATOM 210 CA SER A 14 6.504 -5.245 -0.744 1.00 0.00 C +ATOM 211 C SER A 14 7.583 -4.513 -1.556 1.00 0.00 C +ATOM 212 O SER A 14 7.477 -4.434 -2.776 1.00 0.00 O +ATOM 213 CB SER A 14 5.171 -4.534 -0.999 1.00 0.00 C +ATOM 214 OG SER A 14 4.177 -4.877 -0.070 1.00 0.00 O +ATOM 215 H SER A 14 6.484 -4.475 1.245 1.00 0.00 H +ATOM 216 HA SER A 14 6.420 -6.264 -1.123 1.00 0.00 H +ATOM 217 HB2 SER A 14 5.334 -3.475 -0.949 1.00 0.00 H +ATOM 218 HB3 SER A 14 4.831 -4.746 -2.011 1.00 0.00 H +ATOM 219 HG SER A 14 4.259 -4.235 0.675 1.00 0.00 H +ATOM 220 N GLY A 15 8.589 -3.916 -0.899 1.00 0.00 N +ATOM 221 CA GLY A 15 9.628 -3.120 -1.568 1.00 0.00 C +ATOM 222 C GLY A 15 9.147 -1.769 -2.127 1.00 0.00 C +ATOM 223 O GLY A 15 9.811 -1.210 -2.995 1.00 0.00 O +ATOM 224 H GLY A 15 8.637 -4.053 0.102 1.00 0.00 H +ATOM 225 HA2 GLY A 15 10.434 -2.923 -0.862 1.00 0.00 H +ATOM 226 HA3 GLY A 15 10.042 -3.698 -2.394 1.00 0.00 H +ATOM 227 N ARG A 16 8.006 -1.245 -1.647 1.00 0.00 N +ATOM 228 CA ARG A 16 7.372 -0.003 -2.121 1.00 0.00 C +ATOM 229 C ARG A 16 6.899 0.883 -0.950 1.00 0.00 C +ATOM 230 O ARG A 16 6.250 0.369 -0.033 1.00 0.00 O +ATOM 231 CB ARG A 16 6.209 -0.320 -3.084 1.00 0.00 C +ATOM 232 CG ARG A 16 5.215 -1.352 -2.526 1.00 0.00 C +ATOM 233 CD ARG A 16 3.904 -1.443 -3.304 1.00 0.00 C +ATOM 234 NE ARG A 16 4.061 -2.274 -4.499 1.00 0.00 N +ATOM 235 CZ ARG A 16 3.904 -1.985 -5.776 1.00 0.00 C +ATOM 236 NH1 ARG A 16 3.635 -0.767 -6.189 1.00 0.00 N +ATOM 237 NH2 ARG A 16 4.003 -2.954 -6.651 1.00 0.00 N +ATOM 238 H ARG A 16 7.548 -1.757 -0.908 1.00 0.00 H +ATOM 239 HA ARG A 16 8.120 0.548 -2.691 1.00 0.00 H +ATOM 240 HB2 ARG A 16 5.677 0.590 -3.285 1.00 0.00 H +ATOM 241 HB3 ARG A 16 6.620 -0.712 -4.017 1.00 0.00 H +ATOM 242 HG2 ARG A 16 5.685 -2.316 -2.545 1.00 0.00 H +ATOM 243 HG3 ARG A 16 4.960 -1.114 -1.497 1.00 0.00 H +ATOM 244 HD2 ARG A 16 3.151 -1.874 -2.673 1.00 0.00 H +ATOM 245 HD3 ARG A 16 3.536 -0.446 -3.542 1.00 0.00 H +ATOM 246 HE ARG A 16 4.127 -3.284 -4.320 1.00 0.00 H +ATOM 247 HH11 ARG A 16 3.507 -0.060 -5.490 1.00 0.00 H +ATOM 248 HH12 ARG A 16 3.473 -0.577 -7.160 1.00 0.00 H +ATOM 249 HH21 ARG A 16 4.040 -3.895 -6.271 1.00 0.00 H +ATOM 250 HH22 ARG A 16 3.899 -2.795 -7.633 1.00 0.00 H +ATOM 251 N PRO A 17 7.166 2.205 -0.969 1.00 0.00 N +ATOM 252 CA PRO A 17 6.727 3.117 0.088 1.00 0.00 C +ATOM 253 C PRO A 17 5.195 3.304 0.088 1.00 0.00 C +ATOM 254 O PRO A 17 4.551 3.043 -0.934 1.00 0.00 O +ATOM 255 CB PRO A 17 7.460 4.433 -0.196 1.00 0.00 C +ATOM 256 CG PRO A 17 7.647 4.418 -1.712 1.00 0.00 C +ATOM 257 CD PRO A 17 7.865 2.938 -2.017 1.00 0.00 C +ATOM 258 HA PRO A 17 7.042 2.728 1.057 1.00 0.00 H +ATOM 259 HB2 PRO A 17 6.869 5.275 0.109 1.00 0.00 H +ATOM 260 HB3 PRO A 17 8.437 4.415 0.288 1.00 0.00 H +ATOM 261 HG2 PRO A 17 6.774 4.790 -2.212 1.00 0.00 H +ATOM 262 HG3 PRO A 17 8.499 5.023 -2.023 1.00 0.00 H +ATOM 263 HD2 PRO A 17 7.459 2.692 -2.979 1.00 0.00 H +ATOM 264 HD3 PRO A 17 8.930 2.705 -1.974 1.00 0.00 H +ATOM 265 N PRO A 18 4.598 3.763 1.206 1.00 0.00 N +ATOM 266 CA PRO A 18 3.160 4.002 1.296 1.00 0.00 C +ATOM 267 C PRO A 18 2.723 5.223 0.459 1.00 0.00 C +ATOM 268 O PRO A 18 3.486 6.180 0.323 1.00 0.00 O +ATOM 269 CB PRO A 18 2.870 4.209 2.786 1.00 0.00 C +ATOM 270 CG PRO A 18 4.187 4.765 3.327 1.00 0.00 C +ATOM 271 CD PRO A 18 5.239 4.048 2.482 1.00 0.00 C +ATOM 272 HA PRO A 18 2.639 3.111 0.954 1.00 0.00 H +ATOM 273 HB2 PRO A 18 2.070 4.910 2.928 1.00 0.00 H +ATOM 274 HB3 PRO A 18 2.665 3.246 3.253 1.00 0.00 H +ATOM 275 HG2 PRO A 18 4.242 5.828 3.190 1.00 0.00 H +ATOM 276 HG3 PRO A 18 4.310 4.556 4.389 1.00 0.00 H +ATOM 277 HD2 PRO A 18 6.095 4.679 2.337 1.00 0.00 H +ATOM 278 HD3 PRO A 18 5.518 3.109 2.962 1.00 0.00 H +ATOM 279 N PRO A 19 1.487 5.223 -0.081 1.00 0.00 N +ATOM 280 CA PRO A 19 0.954 6.306 -0.911 1.00 0.00 C +ATOM 281 C PRO A 19 0.318 7.463 -0.116 1.00 0.00 C +ATOM 282 O PRO A 19 -0.042 8.473 -0.718 1.00 0.00 O +ATOM 283 CB PRO A 19 -0.097 5.617 -1.786 1.00 0.00 C +ATOM 284 CG PRO A 19 -0.667 4.552 -0.849 1.00 0.00 C +ATOM 285 CD PRO A 19 0.572 4.092 -0.088 1.00 0.00 C +ATOM 286 HA PRO A 19 1.738 6.719 -1.548 1.00 0.00 H +ATOM 287 HB2 PRO A 19 -0.857 6.308 -2.094 1.00 0.00 H +ATOM 288 HB3 PRO A 19 0.396 5.133 -2.632 1.00 0.00 H +ATOM 289 HG2 PRO A 19 -1.398 4.970 -0.184 1.00 0.00 H +ATOM 290 HG3 PRO A 19 -1.129 3.736 -1.404 1.00 0.00 H +ATOM 291 HD2 PRO A 19 0.311 3.818 0.916 1.00 0.00 H +ATOM 292 HD3 PRO A 19 1.042 3.271 -0.628 1.00 0.00 H +ATOM 293 N SER A 20 0.154 7.315 1.206 1.00 0.00 N +ATOM 294 CA SER A 20 -0.381 8.320 2.134 1.00 0.00 C +ATOM 295 C SER A 20 0.429 8.296 3.426 1.00 0.00 C +ATOM 296 O SER A 20 0.669 7.163 3.906 1.00 0.00 O +ATOM 297 CB SER A 20 -1.858 8.039 2.425 1.00 0.00 C +ATOM 298 OG SER A 20 -2.535 9.236 2.730 1.00 0.00 O +ATOM 299 OXT SER A 20 0.789 9.398 3.882 1.00 0.00 O +ATOM 300 H SER A 20 0.527 6.490 1.654 1.00 0.00 H +ATOM 301 HA SER A 20 -0.263 9.307 1.688 1.00 0.00 H +ATOM 302 HB2 SER A 20 -2.309 7.588 1.562 1.00 0.00 H +ATOM 303 HB3 SER A 20 -1.945 7.348 3.266 1.00 0.00 H +ATOM 304 HG SER A 20 -1.973 9.971 2.469 1.00 0.00 H +TER 305 SER A 20 +ENDMDL +MODEL 9 +ATOM 1 N ASN A 1 -6.355 7.914 0.576 1.00 0.00 N +ATOM 2 CA ASN A 1 -6.778 6.858 -0.378 1.00 0.00 C +ATOM 3 C ASN A 1 -5.549 6.028 -0.782 1.00 0.00 C +ATOM 4 O ASN A 1 -4.530 6.178 -0.119 1.00 0.00 O +ATOM 5 CB ASN A 1 -7.563 7.460 -1.562 1.00 0.00 C +ATOM 6 CG ASN A 1 -8.448 6.400 -2.211 1.00 0.00 C +ATOM 7 OD1 ASN A 1 -8.022 5.688 -3.104 1.00 0.00 O +ATOM 8 ND2 ASN A 1 -9.658 6.188 -1.730 1.00 0.00 N +ATOM 9 H1 ASN A 1 -5.830 7.486 1.328 1.00 0.00 H +ATOM 10 H2 ASN A 1 -5.742 8.573 0.115 1.00 0.00 H +ATOM 11 H3 ASN A 1 -7.157 8.399 0.955 1.00 0.00 H +ATOM 12 HA ASN A 1 -7.452 6.182 0.150 1.00 0.00 H +ATOM 13 HB2 ASN A 1 -8.178 8.264 -1.206 1.00 0.00 H +ATOM 14 HB3 ASN A 1 -6.872 7.865 -2.304 1.00 0.00 H +ATOM 15 HD21 ASN A 1 -10.087 6.731 -1.001 1.00 0.00 H +ATOM 16 HD22 ASN A 1 -10.166 5.465 -2.217 1.00 0.00 H +ATOM 17 N LEU A 2 -5.630 5.135 -1.783 1.00 0.00 N +ATOM 18 CA LEU A 2 -4.587 4.213 -2.289 1.00 0.00 C +ATOM 19 C LEU A 2 -3.962 3.229 -1.269 1.00 0.00 C +ATOM 20 O LEU A 2 -3.407 2.204 -1.668 1.00 0.00 O +ATOM 21 CB LEU A 2 -3.510 5.015 -3.058 1.00 0.00 C +ATOM 22 CG LEU A 2 -3.772 5.277 -4.555 1.00 0.00 C +ATOM 23 CD1 LEU A 2 -3.748 3.980 -5.372 1.00 0.00 C +ATOM 24 CD2 LEU A 2 -5.076 6.028 -4.834 1.00 0.00 C +ATOM 25 H LEU A 2 -6.497 5.119 -2.318 1.00 0.00 H +ATOM 26 HA LEU A 2 -5.078 3.561 -3.012 1.00 0.00 H +ATOM 27 HB2 LEU A 2 -3.409 5.968 -2.575 1.00 0.00 H +ATOM 28 HB3 LEU A 2 -2.567 4.475 -3.000 1.00 0.00 H +ATOM 29 HG LEU A 2 -2.952 5.903 -4.913 1.00 0.00 H +ATOM 30 HD11 LEU A 2 -2.862 3.397 -5.120 1.00 0.00 H +ATOM 31 HD12 LEU A 2 -4.638 3.385 -5.182 1.00 0.00 H +ATOM 32 HD13 LEU A 2 -3.712 4.225 -6.435 1.00 0.00 H +ATOM 33 HD21 LEU A 2 -5.932 5.392 -4.613 1.00 0.00 H +ATOM 34 HD22 LEU A 2 -5.123 6.933 -4.230 1.00 0.00 H +ATOM 35 HD23 LEU A 2 -5.117 6.307 -5.887 1.00 0.00 H +ATOM 36 N TYR A 3 -4.092 3.484 0.034 1.00 0.00 N +ATOM 37 CA TYR A 3 -3.507 2.707 1.123 1.00 0.00 C +ATOM 38 C TYR A 3 -3.985 1.247 1.144 1.00 0.00 C +ATOM 39 O TYR A 3 -3.180 0.347 1.372 1.00 0.00 O +ATOM 40 CB TYR A 3 -3.807 3.419 2.451 1.00 0.00 C +ATOM 41 CG TYR A 3 -2.696 3.269 3.468 1.00 0.00 C +ATOM 42 CD1 TYR A 3 -2.590 2.095 4.240 1.00 0.00 C +ATOM 43 CD2 TYR A 3 -1.753 4.303 3.625 1.00 0.00 C +ATOM 44 CE1 TYR A 3 -1.550 1.959 5.180 1.00 0.00 C +ATOM 45 CE2 TYR A 3 -0.711 4.172 4.561 1.00 0.00 C +ATOM 46 CZ TYR A 3 -0.611 3.005 5.344 1.00 0.00 C +ATOM 47 OH TYR A 3 0.374 2.911 6.276 1.00 0.00 O +ATOM 48 H TYR A 3 -4.425 4.414 0.259 1.00 0.00 H +ATOM 49 HA TYR A 3 -2.425 2.700 0.981 1.00 0.00 H +ATOM 50 HB2 TYR A 3 -3.951 4.464 2.254 1.00 0.00 H +ATOM 51 HB3 TYR A 3 -4.742 3.045 2.871 1.00 0.00 H +ATOM 52 HD1 TYR A 3 -3.308 1.299 4.106 1.00 0.00 H +ATOM 53 HD2 TYR A 3 -1.821 5.207 3.034 1.00 0.00 H +ATOM 54 HE1 TYR A 3 -1.462 1.059 5.769 1.00 0.00 H +ATOM 55 HE2 TYR A 3 0.006 4.966 4.698 1.00 0.00 H +ATOM 56 HH TYR A 3 0.027 2.663 7.133 1.00 0.00 H +ATOM 57 N ILE A 4 -5.271 0.998 0.853 1.00 0.00 N +ATOM 58 CA ILE A 4 -5.839 -0.354 0.750 1.00 0.00 C +ATOM 59 C ILE A 4 -5.129 -1.160 -0.354 1.00 0.00 C +ATOM 60 O ILE A 4 -4.715 -2.294 -0.121 1.00 0.00 O +ATOM 61 CB ILE A 4 -7.375 -0.317 0.526 1.00 0.00 C +ATOM 62 CG1 ILE A 4 -8.137 0.556 1.557 1.00 0.00 C +ATOM 63 CG2 ILE A 4 -7.940 -1.748 0.590 1.00 0.00 C +ATOM 64 CD1 ILE A 4 -8.425 1.981 1.063 1.00 0.00 C +ATOM 65 H ILE A 4 -5.872 1.793 0.698 1.00 0.00 H +ATOM 66 HA ILE A 4 -5.651 -0.867 1.695 1.00 0.00 H +ATOM 67 HB ILE A 4 -7.576 0.069 -0.474 1.00 0.00 H +ATOM 68 HG12 ILE A 4 -9.072 0.079 1.780 1.00 0.00 H +ATOM 69 HG13 ILE A 4 -7.585 0.601 2.497 1.00 0.00 H +ATOM 70 HG21 ILE A 4 -7.504 -2.371 -0.192 1.00 0.00 H +ATOM 71 HG22 ILE A 4 -7.727 -2.194 1.563 1.00 0.00 H +ATOM 72 HG23 ILE A 4 -9.020 -1.731 0.437 1.00 0.00 H +ATOM 73 HD11 ILE A 4 -7.512 2.575 1.038 1.00 0.00 H +ATOM 74 HD12 ILE A 4 -8.867 1.949 0.066 1.00 0.00 H +ATOM 75 HD13 ILE A 4 -9.137 2.458 1.739 1.00 0.00 H +ATOM 76 N GLN A 5 -4.949 -0.564 -1.544 1.00 0.00 N +ATOM 77 CA GLN A 5 -4.210 -1.179 -2.650 1.00 0.00 C +ATOM 78 C GLN A 5 -2.730 -1.412 -2.309 1.00 0.00 C +ATOM 79 O GLN A 5 -2.180 -2.447 -2.679 1.00 0.00 O +ATOM 80 CB GLN A 5 -4.326 -0.333 -3.929 1.00 0.00 C +ATOM 81 CG GLN A 5 -5.654 -0.555 -4.672 1.00 0.00 C +ATOM 82 CD GLN A 5 -5.597 0.001 -6.097 1.00 0.00 C +ATOM 83 OE1 GLN A 5 -4.724 -0.323 -6.881 1.00 0.00 O +ATOM 84 NE2 GLN A 5 -6.527 0.846 -6.499 1.00 0.00 N +ATOM 85 H GLN A 5 -5.256 0.391 -1.646 1.00 0.00 H +ATOM 86 HA GLN A 5 -4.639 -2.162 -2.849 1.00 0.00 H +ATOM 87 HB2 GLN A 5 -4.251 0.704 -3.662 1.00 0.00 H +ATOM 88 HB3 GLN A 5 -3.512 -0.622 -4.596 1.00 0.00 H +ATOM 89 HG2 GLN A 5 -5.858 -1.608 -4.716 1.00 0.00 H +ATOM 90 HG3 GLN A 5 -6.466 -0.086 -4.117 1.00 0.00 H +ATOM 91 HE21 GLN A 5 -7.297 1.142 -5.929 1.00 0.00 H +ATOM 92 HE22 GLN A 5 -6.409 1.126 -7.459 1.00 0.00 H +ATOM 93 N TRP A 6 -2.081 -0.492 -1.584 1.00 0.00 N +ATOM 94 CA TRP A 6 -0.717 -0.712 -1.094 1.00 0.00 C +ATOM 95 C TRP A 6 -0.634 -1.871 -0.083 1.00 0.00 C +ATOM 96 O TRP A 6 0.235 -2.738 -0.203 1.00 0.00 O +ATOM 97 CB TRP A 6 -0.168 0.595 -0.511 1.00 0.00 C +ATOM 98 CG TRP A 6 1.222 0.490 0.032 1.00 0.00 C +ATOM 99 CD1 TRP A 6 2.356 0.444 -0.705 1.00 0.00 C +ATOM 100 CD2 TRP A 6 1.648 0.375 1.425 1.00 0.00 C +ATOM 101 NE1 TRP A 6 3.446 0.307 0.129 1.00 0.00 N +ATOM 102 CE2 TRP A 6 3.068 0.266 1.450 1.00 0.00 C +ATOM 103 CE3 TRP A 6 0.980 0.360 2.668 1.00 0.00 C +ATOM 104 CZ2 TRP A 6 3.796 0.163 2.643 1.00 0.00 C +ATOM 105 CZ3 TRP A 6 1.699 0.248 3.874 1.00 0.00 C +ATOM 106 CH2 TRP A 6 3.103 0.153 3.864 1.00 0.00 C +ATOM 107 H TRP A 6 -2.567 0.373 -1.361 1.00 0.00 H +ATOM 108 HA TRP A 6 -0.089 -0.993 -1.940 1.00 0.00 H +ATOM 109 HB2 TRP A 6 -0.171 1.336 -1.287 1.00 0.00 H +ATOM 110 HB3 TRP A 6 -0.824 0.933 0.292 1.00 0.00 H +ATOM 111 HD1 TRP A 6 2.407 0.492 -1.782 1.00 0.00 H +ATOM 112 HE1 TRP A 6 4.421 0.258 -0.183 1.00 0.00 H +ATOM 113 HE3 TRP A 6 -0.097 0.448 2.689 1.00 0.00 H +ATOM 114 HZ2 TRP A 6 4.873 0.086 2.605 1.00 0.00 H +ATOM 115 HZ3 TRP A 6 1.170 0.248 4.818 1.00 0.00 H +ATOM 116 HH2 TRP A 6 3.648 0.079 4.793 1.00 0.00 H +ATOM 117 N LEU A 7 -1.559 -1.927 0.884 1.00 0.00 N +ATOM 118 CA LEU A 7 -1.650 -3.030 1.843 1.00 0.00 C +ATOM 119 C LEU A 7 -1.902 -4.384 1.166 1.00 0.00 C +ATOM 120 O LEU A 7 -1.269 -5.361 1.560 1.00 0.00 O +ATOM 121 CB LEU A 7 -2.733 -2.741 2.896 1.00 0.00 C +ATOM 122 CG LEU A 7 -2.320 -1.710 3.964 1.00 0.00 C +ATOM 123 CD1 LEU A 7 -3.516 -1.453 4.886 1.00 0.00 C +ATOM 124 CD2 LEU A 7 -1.139 -2.196 4.813 1.00 0.00 C +ATOM 125 H LEU A 7 -2.231 -1.165 0.952 1.00 0.00 H +ATOM 126 HA LEU A 7 -0.687 -3.126 2.344 1.00 0.00 H +ATOM 127 HB2 LEU A 7 -3.603 -2.370 2.390 1.00 0.00 H +ATOM 128 HB3 LEU A 7 -2.981 -3.673 3.405 1.00 0.00 H +ATOM 129 HG LEU A 7 -2.041 -0.773 3.487 1.00 0.00 H +ATOM 130 HD11 LEU A 7 -4.353 -1.069 4.302 1.00 0.00 H +ATOM 131 HD12 LEU A 7 -3.815 -2.379 5.378 1.00 0.00 H +ATOM 132 HD13 LEU A 7 -3.251 -0.717 5.645 1.00 0.00 H +ATOM 133 HD21 LEU A 7 -1.303 -3.225 5.133 1.00 0.00 H +ATOM 134 HD22 LEU A 7 -0.219 -2.141 4.234 1.00 0.00 H +ATOM 135 HD23 LEU A 7 -1.022 -1.564 5.694 1.00 0.00 H +ATOM 136 N LYS A 8 -2.764 -4.435 0.137 1.00 0.00 N +ATOM 137 CA LYS A 8 -3.064 -5.639 -0.660 1.00 0.00 C +ATOM 138 C LYS A 8 -1.824 -6.358 -1.202 1.00 0.00 C +ATOM 139 O LYS A 8 -1.858 -7.580 -1.310 1.00 0.00 O +ATOM 140 CB LYS A 8 -3.983 -5.265 -1.837 1.00 0.00 C +ATOM 141 CG LYS A 8 -5.484 -5.361 -1.533 1.00 0.00 C +ATOM 142 CD LYS A 8 -5.970 -6.821 -1.519 1.00 0.00 C +ATOM 143 CE LYS A 8 -7.373 -6.934 -2.133 1.00 0.00 C +ATOM 144 NZ LYS A 8 -7.546 -8.214 -2.860 1.00 0.00 N +ATOM 145 H LYS A 8 -3.276 -3.581 -0.075 1.00 0.00 H +ATOM 146 HA LYS A 8 -3.567 -6.365 -0.022 1.00 0.00 H +ATOM 147 HB2 LYS A 8 -3.764 -4.255 -2.124 1.00 0.00 H +ATOM 148 HB3 LYS A 8 -3.765 -5.907 -2.694 1.00 0.00 H +ATOM 149 HG2 LYS A 8 -5.673 -4.922 -0.572 1.00 0.00 H +ATOM 150 HG3 LYS A 8 -6.001 -4.816 -2.323 1.00 0.00 H +ATOM 151 HD2 LYS A 8 -5.288 -7.424 -2.086 1.00 0.00 H +ATOM 152 HD3 LYS A 8 -5.982 -7.196 -0.493 1.00 0.00 H +ATOM 153 HE2 LYS A 8 -8.103 -6.877 -1.348 1.00 0.00 H +ATOM 154 HE3 LYS A 8 -7.516 -6.106 -2.833 1.00 0.00 H +ATOM 155 HZ1 LYS A 8 -6.850 -8.287 -3.593 1.00 0.00 H +ATOM 156 HZ2 LYS A 8 -7.431 -8.996 -2.230 1.00 0.00 H +ATOM 157 HZ3 LYS A 8 -8.463 -8.259 -3.283 1.00 0.00 H +ATOM 158 N ASP A 9 -0.763 -5.623 -1.552 1.00 0.00 N +ATOM 159 CA ASP A 9 0.496 -6.197 -2.043 1.00 0.00 C +ATOM 160 C ASP A 9 1.282 -6.902 -0.920 1.00 0.00 C +ATOM 161 O ASP A 9 1.817 -7.991 -1.121 1.00 0.00 O +ATOM 162 CB ASP A 9 1.321 -5.072 -2.691 1.00 0.00 C +ATOM 163 CG ASP A 9 2.292 -5.605 -3.748 1.00 0.00 C +ATOM 164 OD1 ASP A 9 3.441 -5.927 -3.382 1.00 0.00 O +ATOM 165 OD2 ASP A 9 1.868 -5.659 -4.923 1.00 0.00 O +ATOM 166 H ASP A 9 -0.837 -4.618 -1.476 1.00 0.00 H +ATOM 167 HA ASP A 9 0.265 -6.940 -2.810 1.00 0.00 H +ATOM 168 HB2 ASP A 9 0.651 -4.376 -3.157 1.00 0.00 H +ATOM 169 HB3 ASP A 9 1.866 -4.522 -1.921 1.00 0.00 H +ATOM 170 N GLY A 10 1.295 -6.304 0.280 1.00 0.00 N +ATOM 171 CA GLY A 10 2.040 -6.794 1.445 1.00 0.00 C +ATOM 172 C GLY A 10 2.489 -5.723 2.455 1.00 0.00 C +ATOM 173 O GLY A 10 3.314 -6.013 3.317 1.00 0.00 O +ATOM 174 H GLY A 10 0.707 -5.487 0.357 1.00 0.00 H +ATOM 175 HA2 GLY A 10 1.418 -7.514 1.975 1.00 0.00 H +ATOM 176 HA3 GLY A 10 2.937 -7.314 1.102 1.00 0.00 H +ATOM 177 N GLY A 11 1.982 -4.483 2.376 1.00 0.00 N +ATOM 178 CA GLY A 11 2.428 -3.400 3.257 1.00 0.00 C +ATOM 179 C GLY A 11 3.939 -3.116 3.122 1.00 0.00 C +ATOM 180 O GLY A 11 4.431 -3.017 1.996 1.00 0.00 O +ATOM 181 H GLY A 11 1.270 -4.287 1.690 1.00 0.00 H +ATOM 182 HA2 GLY A 11 1.885 -2.490 3.006 1.00 0.00 H +ATOM 183 HA3 GLY A 11 2.184 -3.679 4.281 1.00 0.00 H +ATOM 184 N PRO A 12 4.698 -2.946 4.226 1.00 0.00 N +ATOM 185 CA PRO A 12 6.130 -2.631 4.172 1.00 0.00 C +ATOM 186 C PRO A 12 7.010 -3.666 3.454 1.00 0.00 C +ATOM 187 O PRO A 12 8.063 -3.297 2.936 1.00 0.00 O +ATOM 188 CB PRO A 12 6.588 -2.475 5.628 1.00 0.00 C +ATOM 189 CG PRO A 12 5.303 -2.191 6.399 1.00 0.00 C +ATOM 190 CD PRO A 12 4.243 -2.957 5.611 1.00 0.00 C +ATOM 191 HA PRO A 12 6.248 -1.673 3.664 1.00 0.00 H +ATOM 192 HB2 PRO A 12 7.051 -3.377 5.980 1.00 0.00 H +ATOM 193 HB3 PRO A 12 7.305 -1.661 5.732 1.00 0.00 H +ATOM 194 HG2 PRO A 12 5.371 -2.555 7.406 1.00 0.00 H +ATOM 195 HG3 PRO A 12 5.086 -1.123 6.366 1.00 0.00 H +ATOM 196 HD2 PRO A 12 4.164 -3.965 5.971 1.00 0.00 H +ATOM 197 HD3 PRO A 12 3.275 -2.469 5.727 1.00 0.00 H +ATOM 198 N SER A 13 6.616 -4.948 3.398 1.00 0.00 N +ATOM 199 CA SER A 13 7.425 -6.010 2.779 1.00 0.00 C +ATOM 200 C SER A 13 7.282 -6.083 1.247 1.00 0.00 C +ATOM 201 O SER A 13 7.825 -6.993 0.624 1.00 0.00 O +ATOM 202 CB SER A 13 7.160 -7.358 3.464 1.00 0.00 C +ATOM 203 OG SER A 13 5.803 -7.725 3.370 1.00 0.00 O +ATOM 204 H SER A 13 5.705 -5.222 3.755 1.00 0.00 H +ATOM 205 HA SER A 13 8.474 -5.782 2.964 1.00 0.00 H +ATOM 206 HB2 SER A 13 7.759 -8.113 2.992 1.00 0.00 H +ATOM 207 HB3 SER A 13 7.430 -7.277 4.519 1.00 0.00 H +ATOM 208 HG SER A 13 5.735 -8.681 3.298 1.00 0.00 H +ATOM 209 N SER A 14 6.606 -5.101 0.635 1.00 0.00 N +ATOM 210 CA SER A 14 6.348 -4.975 -0.808 1.00 0.00 C +ATOM 211 C SER A 14 7.404 -4.162 -1.577 1.00 0.00 C +ATOM 212 O SER A 14 7.289 -3.990 -2.790 1.00 0.00 O +ATOM 213 CB SER A 14 5.008 -4.262 -1.007 1.00 0.00 C +ATOM 214 OG SER A 14 4.002 -4.863 -0.226 1.00 0.00 O +ATOM 215 H SER A 14 6.121 -4.441 1.233 1.00 0.00 H +ATOM 216 HA SER A 14 6.278 -5.969 -1.254 1.00 0.00 H +ATOM 217 HB2 SER A 14 5.110 -3.234 -0.719 1.00 0.00 H +ATOM 218 HB3 SER A 14 4.727 -4.291 -2.059 1.00 0.00 H +ATOM 219 HG SER A 14 3.353 -4.187 -0.015 1.00 0.00 H +ATOM 220 N GLY A 15 8.395 -3.574 -0.897 1.00 0.00 N +ATOM 221 CA GLY A 15 9.449 -2.750 -1.509 1.00 0.00 C +ATOM 222 C GLY A 15 9.021 -1.317 -1.874 1.00 0.00 C +ATOM 223 O GLY A 15 9.808 -0.389 -1.697 1.00 0.00 O +ATOM 224 H GLY A 15 8.410 -3.718 0.104 1.00 0.00 H +ATOM 225 HA2 GLY A 15 10.294 -2.689 -0.823 1.00 0.00 H +ATOM 226 HA3 GLY A 15 9.796 -3.237 -2.420 1.00 0.00 H +ATOM 227 N ARG A 16 7.790 -1.115 -2.367 1.00 0.00 N +ATOM 228 CA ARG A 16 7.218 0.212 -2.656 1.00 0.00 C +ATOM 229 C ARG A 16 6.821 0.946 -1.353 1.00 0.00 C +ATOM 230 O ARG A 16 6.154 0.335 -0.515 1.00 0.00 O +ATOM 231 CB ARG A 16 6.002 0.046 -3.589 1.00 0.00 C +ATOM 232 CG ARG A 16 5.399 1.393 -4.024 1.00 0.00 C +ATOM 233 CD ARG A 16 4.125 1.223 -4.857 1.00 0.00 C +ATOM 234 NE ARG A 16 3.497 2.535 -5.114 1.00 0.00 N +ATOM 235 CZ ARG A 16 2.320 2.983 -4.685 1.00 0.00 C +ATOM 236 NH1 ARG A 16 1.482 2.226 -4.014 1.00 0.00 N +ATOM 237 NH2 ARG A 16 1.953 4.216 -4.940 1.00 0.00 N +ATOM 238 H ARG A 16 7.238 -1.952 -2.530 1.00 0.00 H +ATOM 239 HA ARG A 16 7.984 0.787 -3.176 1.00 0.00 H +ATOM 240 HB2 ARG A 16 6.312 -0.490 -4.465 1.00 0.00 H +ATOM 241 HB3 ARG A 16 5.238 -0.540 -3.076 1.00 0.00 H +ATOM 242 HG2 ARG A 16 5.163 1.964 -3.147 1.00 0.00 H +ATOM 243 HG3 ARG A 16 6.135 1.947 -4.608 1.00 0.00 H +ATOM 244 HD2 ARG A 16 4.374 0.761 -5.793 1.00 0.00 H +ATOM 245 HD3 ARG A 16 3.445 0.561 -4.322 1.00 0.00 H +ATOM 246 HE ARG A 16 4.053 3.192 -5.635 1.00 0.00 H +ATOM 247 HH11 ARG A 16 1.728 1.264 -3.884 1.00 0.00 H +ATOM 248 HH12 ARG A 16 0.601 2.578 -3.692 1.00 0.00 H +ATOM 249 HH21 ARG A 16 2.560 4.835 -5.449 1.00 0.00 H +ATOM 250 HH22 ARG A 16 1.060 4.549 -4.627 1.00 0.00 H +ATOM 251 N PRO A 17 7.132 2.251 -1.190 1.00 0.00 N +ATOM 252 CA PRO A 17 6.721 3.035 -0.016 1.00 0.00 C +ATOM 253 C PRO A 17 5.194 3.259 0.062 1.00 0.00 C +ATOM 254 O PRO A 17 4.507 3.162 -0.959 1.00 0.00 O +ATOM 255 CB PRO A 17 7.473 4.368 -0.143 1.00 0.00 C +ATOM 256 CG PRO A 17 7.674 4.523 -1.648 1.00 0.00 C +ATOM 257 CD PRO A 17 7.904 3.085 -2.103 1.00 0.00 C +ATOM 258 HA PRO A 17 7.053 2.520 0.885 1.00 0.00 H +ATOM 259 HB2 PRO A 17 6.889 5.177 0.251 1.00 0.00 H +ATOM 260 HB3 PRO A 17 8.446 4.287 0.346 1.00 0.00 H +ATOM 261 HG2 PRO A 17 6.803 4.942 -2.114 1.00 0.00 H +ATOM 262 HG3 PRO A 17 8.524 5.165 -1.882 1.00 0.00 H +ATOM 263 HD2 PRO A 17 7.561 2.953 -3.111 1.00 0.00 H +ATOM 264 HD3 PRO A 17 8.962 2.836 -2.011 1.00 0.00 H +ATOM 265 N PRO A 18 4.651 3.589 1.252 1.00 0.00 N +ATOM 266 CA PRO A 18 3.222 3.833 1.437 1.00 0.00 C +ATOM 267 C PRO A 18 2.772 5.142 0.759 1.00 0.00 C +ATOM 268 O PRO A 18 3.480 6.148 0.843 1.00 0.00 O +ATOM 269 CB PRO A 18 3.004 3.890 2.953 1.00 0.00 C +ATOM 270 CG PRO A 18 4.356 4.348 3.494 1.00 0.00 C +ATOM 271 CD PRO A 18 5.355 3.724 2.520 1.00 0.00 C +ATOM 272 HA PRO A 18 2.669 2.988 1.034 1.00 0.00 H +ATOM 273 HB2 PRO A 18 2.233 4.593 3.203 1.00 0.00 H +ATOM 274 HB3 PRO A 18 2.784 2.892 3.327 1.00 0.00 H +ATOM 275 HG2 PRO A 18 4.430 5.418 3.487 1.00 0.00 H +ATOM 276 HG3 PRO A 18 4.520 4.003 4.516 1.00 0.00 H +ATOM 277 HD2 PRO A 18 6.211 4.361 2.405 1.00 0.00 H +ATOM 278 HD3 PRO A 18 5.649 2.736 2.877 1.00 0.00 H +ATOM 279 N PRO A 19 1.591 5.165 0.108 1.00 0.00 N +ATOM 280 CA PRO A 19 1.031 6.371 -0.488 1.00 0.00 C +ATOM 281 C PRO A 19 0.380 7.262 0.584 1.00 0.00 C +ATOM 282 O PRO A 19 -0.321 6.767 1.470 1.00 0.00 O +ATOM 283 CB PRO A 19 0.009 5.859 -1.504 1.00 0.00 C +ATOM 284 CG PRO A 19 -0.512 4.571 -0.862 1.00 0.00 C +ATOM 285 CD PRO A 19 0.696 4.034 -0.095 1.00 0.00 C +ATOM 286 HA PRO A 19 1.809 6.936 -1.005 1.00 0.00 H +ATOM 287 HB2 PRO A 19 -0.784 6.568 -1.642 1.00 0.00 H +ATOM 288 HB3 PRO A 19 0.521 5.617 -2.437 1.00 0.00 H +ATOM 289 HG2 PRO A 19 -1.327 4.778 -0.196 1.00 0.00 H +ATOM 290 HG3 PRO A 19 -0.847 3.854 -1.611 1.00 0.00 H +ATOM 291 HD2 PRO A 19 0.386 3.632 0.850 1.00 0.00 H +ATOM 292 HD3 PRO A 19 1.206 3.279 -0.693 1.00 0.00 H +ATOM 293 N SER A 20 0.592 8.578 0.472 1.00 0.00 N +ATOM 294 CA SER A 20 0.019 9.620 1.329 1.00 0.00 C +ATOM 295 C SER A 20 -0.235 10.875 0.498 1.00 0.00 C +ATOM 296 O SER A 20 0.745 11.327 -0.137 1.00 0.00 O +ATOM 297 CB SER A 20 0.977 9.898 2.490 1.00 0.00 C +ATOM 298 OG SER A 20 0.308 10.641 3.489 1.00 0.00 O +ATOM 299 OXT SER A 20 -1.409 11.298 0.440 1.00 0.00 O +ATOM 300 H SER A 20 1.168 8.935 -0.278 1.00 0.00 H +ATOM 301 HA SER A 20 -0.939 9.293 1.731 1.00 0.00 H +ATOM 302 HB2 SER A 20 1.316 8.968 2.904 1.00 0.00 H +ATOM 303 HB3 SER A 20 1.845 10.449 2.120 1.00 0.00 H +ATOM 304 HG SER A 20 0.955 10.989 4.106 1.00 0.00 H +TER 305 SER A 20 +ENDMDL +MODEL 10 +ATOM 1 N ASN A 1 -6.943 6.963 0.951 1.00 0.00 N +ATOM 2 CA ASN A 1 -7.689 6.240 -0.107 1.00 0.00 C +ATOM 3 C ASN A 1 -6.888 5.124 -0.770 1.00 0.00 C +ATOM 4 O ASN A 1 -7.377 4.006 -0.773 1.00 0.00 O +ATOM 5 CB ASN A 1 -8.340 7.202 -1.116 1.00 0.00 C +ATOM 6 CG ASN A 1 -9.413 8.048 -0.430 1.00 0.00 C +ATOM 7 OD1 ASN A 1 -9.573 7.981 0.781 1.00 0.00 O +ATOM 8 ND2 ASN A 1 -10.146 8.872 -1.153 1.00 0.00 N +ATOM 9 H1 ASN A 1 -6.551 6.315 1.619 1.00 0.00 H +ATOM 10 H2 ASN A 1 -6.210 7.532 0.552 1.00 0.00 H +ATOM 11 H3 ASN A 1 -7.600 7.571 1.435 1.00 0.00 H +ATOM 12 HA ASN A 1 -8.514 5.723 0.389 1.00 0.00 H +ATOM 13 HB2 ASN A 1 -7.587 7.849 -1.524 1.00 0.00 H +ATOM 14 HB3 ASN A 1 -8.816 6.622 -1.909 1.00 0.00 H +ATOM 15 HD21 ASN A 1 -10.039 8.989 -2.148 1.00 0.00 H +ATOM 16 HD22 ASN A 1 -10.843 9.380 -0.632 1.00 0.00 H +ATOM 17 N LEU A 2 -5.683 5.360 -1.308 1.00 0.00 N +ATOM 18 CA LEU A 2 -4.939 4.305 -2.022 1.00 0.00 C +ATOM 19 C LEU A 2 -4.268 3.260 -1.097 1.00 0.00 C +ATOM 20 O LEU A 2 -3.716 2.270 -1.573 1.00 0.00 O +ATOM 21 CB LEU A 2 -3.943 4.985 -2.983 1.00 0.00 C +ATOM 22 CG LEU A 2 -3.510 4.134 -4.197 1.00 0.00 C +ATOM 23 CD1 LEU A 2 -4.689 3.815 -5.127 1.00 0.00 C +ATOM 24 CD2 LEU A 2 -2.467 4.910 -5.004 1.00 0.00 C +ATOM 25 H LEU A 2 -5.289 6.289 -1.343 1.00 0.00 H +ATOM 26 HA LEU A 2 -5.665 3.756 -2.620 1.00 0.00 H +ATOM 27 HB2 LEU A 2 -4.400 5.882 -3.353 1.00 0.00 H +ATOM 28 HB3 LEU A 2 -3.059 5.272 -2.417 1.00 0.00 H +ATOM 29 HG LEU A 2 -3.055 3.203 -3.864 1.00 0.00 H +ATOM 30 HD11 LEU A 2 -5.375 3.120 -4.648 1.00 0.00 H +ATOM 31 HD12 LEU A 2 -5.221 4.730 -5.390 1.00 0.00 H +ATOM 32 HD13 LEU A 2 -4.321 3.345 -6.040 1.00 0.00 H +ATOM 33 HD21 LEU A 2 -2.887 5.852 -5.359 1.00 0.00 H +ATOM 34 HD22 LEU A 2 -1.596 5.115 -4.384 1.00 0.00 H +ATOM 35 HD23 LEU A 2 -2.147 4.317 -5.861 1.00 0.00 H +ATOM 36 N TYR A 3 -4.340 3.443 0.228 1.00 0.00 N +ATOM 37 CA TYR A 3 -3.683 2.595 1.228 1.00 0.00 C +ATOM 38 C TYR A 3 -4.096 1.115 1.160 1.00 0.00 C +ATOM 39 O TYR A 3 -3.266 0.248 1.427 1.00 0.00 O +ATOM 40 CB TYR A 3 -3.925 3.179 2.630 1.00 0.00 C +ATOM 41 CG TYR A 3 -2.760 2.970 3.580 1.00 0.00 C +ATOM 42 CD1 TYR A 3 -1.680 3.874 3.561 1.00 0.00 C +ATOM 43 CD2 TYR A 3 -2.753 1.884 4.475 1.00 0.00 C +ATOM 44 CE1 TYR A 3 -0.588 3.691 4.430 1.00 0.00 C +ATOM 45 CE2 TYR A 3 -1.662 1.698 5.348 1.00 0.00 C +ATOM 46 CZ TYR A 3 -0.577 2.599 5.325 1.00 0.00 C +ATOM 47 OH TYR A 3 0.476 2.408 6.162 1.00 0.00 O +ATOM 48 H TYR A 3 -4.813 4.268 0.548 1.00 0.00 H +ATOM 49 HA TYR A 3 -2.609 2.637 1.035 1.00 0.00 H +ATOM 50 HB2 TYR A 3 -4.100 4.233 2.534 1.00 0.00 H +ATOM 51 HB3 TYR A 3 -4.832 2.746 3.057 1.00 0.00 H +ATOM 52 HD1 TYR A 3 -1.686 4.718 2.886 1.00 0.00 H +ATOM 53 HD2 TYR A 3 -3.582 1.193 4.494 1.00 0.00 H +ATOM 54 HE1 TYR A 3 0.229 4.396 4.422 1.00 0.00 H +ATOM 55 HE2 TYR A 3 -1.639 0.873 6.042 1.00 0.00 H +ATOM 56 HH TYR A 3 1.215 2.981 5.950 1.00 0.00 H +ATOM 57 N ILE A 4 -5.333 0.810 0.732 1.00 0.00 N +ATOM 58 CA ILE A 4 -5.790 -0.565 0.464 1.00 0.00 C +ATOM 59 C ILE A 4 -4.909 -1.223 -0.610 1.00 0.00 C +ATOM 60 O ILE A 4 -4.439 -2.342 -0.417 1.00 0.00 O +ATOM 61 CB ILE A 4 -7.285 -0.604 0.049 1.00 0.00 C +ATOM 62 CG1 ILE A 4 -8.234 0.069 1.074 1.00 0.00 C +ATOM 63 CG2 ILE A 4 -7.764 -2.056 -0.139 1.00 0.00 C +ATOM 64 CD1 ILE A 4 -8.662 1.477 0.657 1.00 0.00 C +ATOM 65 H ILE A 4 -5.959 1.576 0.529 1.00 0.00 H +ATOM 66 HA ILE A 4 -5.679 -1.148 1.381 1.00 0.00 H +ATOM 67 HB ILE A 4 -7.388 -0.102 -0.916 1.00 0.00 H +ATOM 68 HG12 ILE A 4 -9.112 -0.539 1.177 1.00 0.00 H +ATOM 69 HG13 ILE A 4 -7.760 0.113 2.055 1.00 0.00 H +ATOM 70 HG21 ILE A 4 -7.127 -2.599 -0.836 1.00 0.00 H +ATOM 71 HG22 ILE A 4 -7.772 -2.577 0.819 1.00 0.00 H +ATOM 72 HG23 ILE A 4 -8.776 -2.054 -0.550 1.00 0.00 H +ATOM 73 HD11 ILE A 4 -7.813 2.149 0.745 1.00 0.00 H +ATOM 74 HD12 ILE A 4 -9.034 1.472 -0.368 1.00 0.00 H +ATOM 75 HD13 ILE A 4 -9.458 1.827 1.316 1.00 0.00 H +ATOM 76 N GLN A 5 -4.664 -0.521 -1.727 1.00 0.00 N +ATOM 77 CA GLN A 5 -3.843 -0.981 -2.852 1.00 0.00 C +ATOM 78 C GLN A 5 -2.374 -1.203 -2.455 1.00 0.00 C +ATOM 79 O GLN A 5 -1.735 -2.102 -2.996 1.00 0.00 O +ATOM 80 CB GLN A 5 -3.966 0.016 -4.026 1.00 0.00 C +ATOM 81 CG GLN A 5 -4.731 -0.540 -5.248 1.00 0.00 C +ATOM 82 CD GLN A 5 -3.839 -0.991 -6.408 1.00 0.00 C +ATOM 83 OE1 GLN A 5 -2.801 -0.426 -6.704 1.00 0.00 O +ATOM 84 NE2 GLN A 5 -4.226 -2.006 -7.158 1.00 0.00 N +ATOM 85 H GLN A 5 -4.986 0.437 -1.755 1.00 0.00 H +ATOM 86 HA GLN A 5 -4.229 -1.945 -3.174 1.00 0.00 H +ATOM 87 HB2 GLN A 5 -4.481 0.889 -3.674 1.00 0.00 H +ATOM 88 HB3 GLN A 5 -2.974 0.357 -4.328 1.00 0.00 H +ATOM 89 HG2 GLN A 5 -5.311 -1.383 -4.925 1.00 0.00 H +ATOM 90 HG3 GLN A 5 -5.374 0.252 -5.631 1.00 0.00 H +ATOM 91 HE21 GLN A 5 -5.133 -2.431 -7.060 1.00 0.00 H +ATOM 92 HE22 GLN A 5 -3.683 -2.060 -8.004 1.00 0.00 H +ATOM 93 N TRP A 6 -1.859 -0.430 -1.488 1.00 0.00 N +ATOM 94 CA TRP A 6 -0.534 -0.641 -0.897 1.00 0.00 C +ATOM 95 C TRP A 6 -0.505 -1.815 0.100 1.00 0.00 C +ATOM 96 O TRP A 6 0.412 -2.635 0.060 1.00 0.00 O +ATOM 97 CB TRP A 6 -0.068 0.666 -0.245 1.00 0.00 C +ATOM 98 CG TRP A 6 1.303 0.611 0.356 1.00 0.00 C +ATOM 99 CD1 TRP A 6 2.468 0.703 -0.325 1.00 0.00 C +ATOM 100 CD2 TRP A 6 1.674 0.434 1.758 1.00 0.00 C +ATOM 101 NE1 TRP A 6 3.528 0.564 0.550 1.00 0.00 N +ATOM 102 CE2 TRP A 6 3.097 0.425 1.849 1.00 0.00 C +ATOM 103 CE3 TRP A 6 0.953 0.284 2.960 1.00 0.00 C +ATOM 104 CZ2 TRP A 6 3.775 0.299 3.069 1.00 0.00 C +ATOM 105 CZ3 TRP A 6 1.622 0.134 4.190 1.00 0.00 C +ATOM 106 CH2 TRP A 6 3.026 0.159 4.250 1.00 0.00 C +ATOM 107 H TRP A 6 -2.448 0.312 -1.131 1.00 0.00 H +ATOM 108 HA TRP A 6 0.169 -0.885 -1.694 1.00 0.00 H +ATOM 109 HB2 TRP A 6 -0.074 1.434 -0.994 1.00 0.00 H +ATOM 110 HB3 TRP A 6 -0.776 0.954 0.532 1.00 0.00 H +ATOM 111 HD1 TRP A 6 2.556 0.855 -1.394 1.00 0.00 H +ATOM 112 HE1 TRP A 6 4.512 0.575 0.270 1.00 0.00 H +ATOM 113 HE3 TRP A 6 -0.126 0.291 2.931 1.00 0.00 H +ATOM 114 HZ2 TRP A 6 4.854 0.309 3.090 1.00 0.00 H +ATOM 115 HZ3 TRP A 6 1.050 0.016 5.100 1.00 0.00 H +ATOM 116 HH2 TRP A 6 3.527 0.067 5.203 1.00 0.00 H +ATOM 117 N LEU A 7 -1.510 -1.935 0.978 1.00 0.00 N +ATOM 118 CA LEU A 7 -1.599 -3.048 1.926 1.00 0.00 C +ATOM 119 C LEU A 7 -1.809 -4.403 1.239 1.00 0.00 C +ATOM 120 O LEU A 7 -1.124 -5.355 1.613 1.00 0.00 O +ATOM 121 CB LEU A 7 -2.699 -2.798 2.974 1.00 0.00 C +ATOM 122 CG LEU A 7 -2.286 -1.852 4.119 1.00 0.00 C +ATOM 123 CD1 LEU A 7 -3.491 -1.640 5.038 1.00 0.00 C +ATOM 124 CD2 LEU A 7 -1.140 -2.415 4.972 1.00 0.00 C +ATOM 125 H LEU A 7 -2.224 -1.210 1.007 1.00 0.00 H +ATOM 126 HA LEU A 7 -0.640 -3.131 2.434 1.00 0.00 H +ATOM 127 HB2 LEU A 7 -3.547 -2.370 2.475 1.00 0.00 H +ATOM 128 HB3 LEU A 7 -2.977 -3.755 3.419 1.00 0.00 H +ATOM 129 HG LEU A 7 -1.983 -0.891 3.707 1.00 0.00 H +ATOM 130 HD11 LEU A 7 -4.312 -1.199 4.473 1.00 0.00 H +ATOM 131 HD12 LEU A 7 -3.814 -2.592 5.458 1.00 0.00 H +ATOM 132 HD13 LEU A 7 -3.224 -0.969 5.855 1.00 0.00 H +ATOM 133 HD21 LEU A 7 -1.389 -3.418 5.318 1.00 0.00 H +ATOM 134 HD22 LEU A 7 -0.217 -2.452 4.397 1.00 0.00 H +ATOM 135 HD23 LEU A 7 -0.968 -1.773 5.834 1.00 0.00 H +ATOM 136 N LYS A 8 -2.697 -4.510 0.235 1.00 0.00 N +ATOM 137 CA LYS A 8 -2.957 -5.783 -0.469 1.00 0.00 C +ATOM 138 C LYS A 8 -1.729 -6.374 -1.170 1.00 0.00 C +ATOM 139 O LYS A 8 -1.710 -7.566 -1.460 1.00 0.00 O +ATOM 140 CB LYS A 8 -4.168 -5.663 -1.419 1.00 0.00 C +ATOM 141 CG LYS A 8 -4.006 -4.746 -2.644 1.00 0.00 C +ATOM 142 CD LYS A 8 -3.193 -5.323 -3.812 1.00 0.00 C +ATOM 143 CE LYS A 8 -3.386 -4.457 -5.061 1.00 0.00 C +ATOM 144 NZ LYS A 8 -2.231 -4.566 -5.977 1.00 0.00 N +ATOM 145 H LYS A 8 -3.247 -3.686 -0.007 1.00 0.00 H +ATOM 146 HA LYS A 8 -3.228 -6.519 0.290 1.00 0.00 H +ATOM 147 HB2 LYS A 8 -4.396 -6.648 -1.779 1.00 0.00 H +ATOM 148 HB3 LYS A 8 -5.007 -5.283 -0.833 1.00 0.00 H +ATOM 149 HG2 LYS A 8 -4.987 -4.511 -3.011 1.00 0.00 H +ATOM 150 HG3 LYS A 8 -3.534 -3.825 -2.321 1.00 0.00 H +ATOM 151 HD2 LYS A 8 -2.153 -5.339 -3.548 1.00 0.00 H +ATOM 152 HD3 LYS A 8 -3.497 -6.350 -4.023 1.00 0.00 H +ATOM 153 HE2 LYS A 8 -4.271 -4.779 -5.575 1.00 0.00 H +ATOM 154 HE3 LYS A 8 -3.483 -3.417 -4.746 1.00 0.00 H +ATOM 155 HZ1 LYS A 8 -1.362 -4.377 -5.451 1.00 0.00 H +ATOM 156 HZ2 LYS A 8 -2.123 -5.504 -6.333 1.00 0.00 H +ATOM 157 HZ3 LYS A 8 -2.292 -3.898 -6.731 1.00 0.00 H +ATOM 158 N ASP A 9 -0.707 -5.552 -1.426 1.00 0.00 N +ATOM 159 CA ASP A 9 0.589 -5.960 -1.966 1.00 0.00 C +ATOM 160 C ASP A 9 1.516 -6.588 -0.906 1.00 0.00 C +ATOM 161 O ASP A 9 2.485 -7.250 -1.274 1.00 0.00 O +ATOM 162 CB ASP A 9 1.253 -4.722 -2.594 1.00 0.00 C +ATOM 163 CG ASP A 9 1.159 -4.718 -4.115 1.00 0.00 C +ATOM 164 OD1 ASP A 9 0.038 -4.607 -4.656 1.00 0.00 O +ATOM 165 OD2 ASP A 9 2.240 -4.782 -4.738 1.00 0.00 O +ATOM 166 H ASP A 9 -0.829 -4.576 -1.196 1.00 0.00 H +ATOM 167 HA ASP A 9 0.438 -6.713 -2.742 1.00 0.00 H +ATOM 168 HB2 ASP A 9 0.768 -3.843 -2.217 1.00 0.00 H +ATOM 169 HB3 ASP A 9 2.307 -4.701 -2.323 1.00 0.00 H +ATOM 170 N GLY A 10 1.212 -6.406 0.389 1.00 0.00 N +ATOM 171 CA GLY A 10 2.037 -6.837 1.523 1.00 0.00 C +ATOM 172 C GLY A 10 2.524 -5.698 2.431 1.00 0.00 C +ATOM 173 O GLY A 10 3.335 -5.946 3.326 1.00 0.00 O +ATOM 174 H GLY A 10 0.334 -5.944 0.606 1.00 0.00 H +ATOM 175 HA2 GLY A 10 1.452 -7.525 2.133 1.00 0.00 H +ATOM 176 HA3 GLY A 10 2.916 -7.372 1.161 1.00 0.00 H +ATOM 177 N GLY A 11 2.079 -4.450 2.212 1.00 0.00 N +ATOM 178 CA GLY A 11 2.527 -3.280 2.968 1.00 0.00 C +ATOM 179 C GLY A 11 4.060 -3.125 2.939 1.00 0.00 C +ATOM 180 O GLY A 11 4.630 -3.169 1.842 1.00 0.00 O +ATOM 181 H GLY A 11 1.473 -4.294 1.414 1.00 0.00 H +ATOM 182 HA2 GLY A 11 2.088 -2.385 2.527 1.00 0.00 H +ATOM 183 HA3 GLY A 11 2.161 -3.373 3.989 1.00 0.00 H +ATOM 184 N PRO A 12 4.753 -2.971 4.089 1.00 0.00 N +ATOM 185 CA PRO A 12 6.211 -2.791 4.140 1.00 0.00 C +ATOM 186 C PRO A 12 7.014 -3.874 3.403 1.00 0.00 C +ATOM 187 O PRO A 12 8.041 -3.574 2.797 1.00 0.00 O +ATOM 188 CB PRO A 12 6.582 -2.768 5.628 1.00 0.00 C +ATOM 189 CG PRO A 12 5.287 -2.370 6.329 1.00 0.00 C +ATOM 190 CD PRO A 12 4.205 -2.974 5.438 1.00 0.00 C +ATOM 191 HA PRO A 12 6.452 -1.822 3.699 1.00 0.00 H +ATOM 192 HB2 PRO A 12 6.909 -3.736 5.954 1.00 0.00 H +ATOM 193 HB3 PRO A 12 7.381 -2.053 5.830 1.00 0.00 H +ATOM 194 HG2 PRO A 12 5.244 -2.782 7.319 1.00 0.00 H +ATOM 195 HG3 PRO A 12 5.193 -1.282 6.336 1.00 0.00 H +ATOM 196 HD2 PRO A 12 3.982 -3.977 5.748 1.00 0.00 H +ATOM 197 HD3 PRO A 12 3.295 -2.381 5.511 1.00 0.00 H +ATOM 198 N SER A 13 6.533 -5.123 3.409 1.00 0.00 N +ATOM 199 CA SER A 13 7.187 -6.275 2.772 1.00 0.00 C +ATOM 200 C SER A 13 7.064 -6.297 1.237 1.00 0.00 C +ATOM 201 O SER A 13 7.472 -7.272 0.612 1.00 0.00 O +ATOM 202 CB SER A 13 6.637 -7.571 3.386 1.00 0.00 C +ATOM 203 OG SER A 13 6.985 -7.634 4.757 1.00 0.00 O +ATOM 204 H SER A 13 5.655 -5.302 3.884 1.00 0.00 H +ATOM 205 HA SER A 13 8.253 -6.230 2.991 1.00 0.00 H +ATOM 206 HB2 SER A 13 5.569 -7.587 3.288 1.00 0.00 H +ATOM 207 HB3 SER A 13 7.058 -8.437 2.875 1.00 0.00 H +ATOM 208 HG SER A 13 7.938 -7.738 4.830 1.00 0.00 H +ATOM 209 N SER A 14 6.524 -5.234 0.624 1.00 0.00 N +ATOM 210 CA SER A 14 6.244 -5.155 -0.818 1.00 0.00 C +ATOM 211 C SER A 14 7.352 -4.486 -1.642 1.00 0.00 C +ATOM 212 O SER A 14 7.292 -4.512 -2.869 1.00 0.00 O +ATOM 213 CB SER A 14 4.956 -4.361 -1.069 1.00 0.00 C +ATOM 214 OG SER A 14 3.953 -4.634 -0.126 1.00 0.00 O +ATOM 215 H SER A 14 6.200 -4.481 1.217 1.00 0.00 H +ATOM 216 HA SER A 14 6.093 -6.164 -1.206 1.00 0.00 H +ATOM 217 HB2 SER A 14 5.186 -3.314 -1.030 1.00 0.00 H +ATOM 218 HB3 SER A 14 4.589 -4.586 -2.070 1.00 0.00 H +ATOM 219 HG SER A 14 4.150 -4.078 0.666 1.00 0.00 H +ATOM 220 N GLY A 15 8.336 -3.840 -0.998 1.00 0.00 N +ATOM 221 CA GLY A 15 9.395 -3.094 -1.693 1.00 0.00 C +ATOM 222 C GLY A 15 8.943 -1.756 -2.301 1.00 0.00 C +ATOM 223 O GLY A 15 9.512 -1.327 -3.303 1.00 0.00 O +ATOM 224 H GLY A 15 8.352 -3.897 0.012 1.00 0.00 H +ATOM 225 HA2 GLY A 15 10.206 -2.893 -0.996 1.00 0.00 H +ATOM 226 HA3 GLY A 15 9.795 -3.712 -2.500 1.00 0.00 H +ATOM 227 N ARG A 16 7.916 -1.105 -1.732 1.00 0.00 N +ATOM 228 CA ARG A 16 7.364 0.181 -2.198 1.00 0.00 C +ATOM 229 C ARG A 16 6.867 1.046 -1.024 1.00 0.00 C +ATOM 230 O ARG A 16 6.262 0.497 -0.098 1.00 0.00 O +ATOM 231 CB ARG A 16 6.251 -0.057 -3.241 1.00 0.00 C +ATOM 232 CG ARG A 16 5.161 -1.058 -2.811 1.00 0.00 C +ATOM 233 CD ARG A 16 4.134 -1.346 -3.924 1.00 0.00 C +ATOM 234 NE ARG A 16 4.103 -2.766 -4.336 1.00 0.00 N +ATOM 235 CZ ARG A 16 5.054 -3.492 -4.909 1.00 0.00 C +ATOM 236 NH1 ARG A 16 6.220 -2.996 -5.246 1.00 0.00 N +ATOM 237 NH2 ARG A 16 4.821 -4.753 -5.163 1.00 0.00 N +ATOM 238 H ARG A 16 7.511 -1.511 -0.898 1.00 0.00 H +ATOM 239 HA ARG A 16 8.172 0.718 -2.695 1.00 0.00 H +ATOM 240 HB2 ARG A 16 5.778 0.884 -3.444 1.00 0.00 H +ATOM 241 HB3 ARG A 16 6.725 -0.430 -4.149 1.00 0.00 H +ATOM 242 HG2 ARG A 16 5.634 -1.981 -2.535 1.00 0.00 H +ATOM 243 HG3 ARG A 16 4.637 -0.670 -1.938 1.00 0.00 H +ATOM 244 HD2 ARG A 16 3.159 -1.073 -3.568 1.00 0.00 H +ATOM 245 HD3 ARG A 16 4.340 -0.723 -4.795 1.00 0.00 H +ATOM 246 HE ARG A 16 3.238 -3.299 -4.232 1.00 0.00 H +ATOM 247 HH11 ARG A 16 6.407 -2.037 -5.038 1.00 0.00 H +ATOM 248 HH12 ARG A 16 6.943 -3.615 -5.560 1.00 0.00 H +ATOM 249 HH21 ARG A 16 3.839 -5.043 -5.009 1.00 0.00 H +ATOM 250 HH22 ARG A 16 5.505 -5.381 -5.529 1.00 0.00 H +ATOM 251 N PRO A 17 7.083 2.378 -1.045 1.00 0.00 N +ATOM 252 CA PRO A 17 6.638 3.277 0.023 1.00 0.00 C +ATOM 253 C PRO A 17 5.104 3.442 0.035 1.00 0.00 C +ATOM 254 O PRO A 17 4.455 3.170 -0.978 1.00 0.00 O +ATOM 255 CB PRO A 17 7.343 4.610 -0.260 1.00 0.00 C +ATOM 256 CG PRO A 17 7.496 4.611 -1.779 1.00 0.00 C +ATOM 257 CD PRO A 17 7.741 3.138 -2.101 1.00 0.00 C +ATOM 258 HA PRO A 17 6.968 2.888 0.986 1.00 0.00 H +ATOM 259 HB2 PRO A 17 6.744 5.438 0.067 1.00 0.00 H +ATOM 260 HB3 PRO A 17 8.332 4.604 0.204 1.00 0.00 H +ATOM 261 HG2 PRO A 17 6.603 4.967 -2.256 1.00 0.00 H +ATOM 262 HG3 PRO A 17 8.328 5.240 -2.103 1.00 0.00 H +ATOM 263 HD2 PRO A 17 7.319 2.890 -3.056 1.00 0.00 H +ATOM 264 HD3 PRO A 17 8.812 2.932 -2.083 1.00 0.00 H +ATOM 265 N PRO A 18 4.512 3.890 1.161 1.00 0.00 N +ATOM 266 CA PRO A 18 3.074 4.111 1.260 1.00 0.00 C +ATOM 267 C PRO A 18 2.616 5.335 0.440 1.00 0.00 C +ATOM 268 O PRO A 18 3.395 6.265 0.230 1.00 0.00 O +ATOM 269 CB PRO A 18 2.796 4.301 2.754 1.00 0.00 C +ATOM 270 CG PRO A 18 4.105 4.879 3.287 1.00 0.00 C +ATOM 271 CD PRO A 18 5.162 4.183 2.431 1.00 0.00 C +ATOM 272 HA PRO A 18 2.556 3.220 0.910 1.00 0.00 H +ATOM 273 HB2 PRO A 18 1.983 4.984 2.910 1.00 0.00 H +ATOM 274 HB3 PRO A 18 2.610 3.329 3.214 1.00 0.00 H +ATOM 275 HG2 PRO A 18 4.140 5.943 3.153 1.00 0.00 H +ATOM 276 HG3 PRO A 18 4.240 4.666 4.348 1.00 0.00 H +ATOM 277 HD2 PRO A 18 6.005 4.829 2.279 1.00 0.00 H +ATOM 278 HD3 PRO A 18 5.463 3.249 2.906 1.00 0.00 H +ATOM 279 N PRO A 19 1.341 5.370 0.004 1.00 0.00 N +ATOM 280 CA PRO A 19 0.777 6.481 -0.754 1.00 0.00 C +ATOM 281 C PRO A 19 0.447 7.673 0.157 1.00 0.00 C +ATOM 282 O PRO A 19 -0.482 7.605 0.965 1.00 0.00 O +ATOM 283 CB PRO A 19 -0.466 5.904 -1.437 1.00 0.00 C +ATOM 284 CG PRO A 19 -0.933 4.811 -0.475 1.00 0.00 C +ATOM 285 CD PRO A 19 0.371 4.292 0.127 1.00 0.00 C +ATOM 286 HA PRO A 19 1.481 6.804 -1.523 1.00 0.00 H +ATOM 287 HB2 PRO A 19 -1.221 6.657 -1.557 1.00 0.00 H +ATOM 288 HB3 PRO A 19 -0.172 5.448 -2.384 1.00 0.00 H +ATOM 289 HG2 PRO A 19 -1.573 5.216 0.285 1.00 0.00 H +ATOM 290 HG3 PRO A 19 -1.468 4.019 -0.996 1.00 0.00 H +ATOM 291 HD2 PRO A 19 0.227 4.038 1.160 1.00 0.00 H +ATOM 292 HD3 PRO A 19 0.725 3.441 -0.450 1.00 0.00 H +ATOM 293 N SER A 20 1.209 8.762 0.004 1.00 0.00 N +ATOM 294 CA SER A 20 1.059 10.038 0.716 1.00 0.00 C +ATOM 295 C SER A 20 1.217 11.216 -0.248 1.00 0.00 C +ATOM 296 O SER A 20 2.389 11.403 -0.664 1.00 0.00 O +ATOM 297 CB SER A 20 2.098 10.115 1.845 1.00 0.00 C +ATOM 298 OG SER A 20 3.359 10.263 1.230 1.00 0.00 O +ATOM 299 OXT SER A 20 0.202 11.886 -0.520 1.00 0.00 O +ATOM 300 H SER A 20 1.991 8.709 -0.634 1.00 0.00 H +ATOM 301 HA SER A 20 0.060 10.107 1.146 1.00 0.00 H +ATOM 302 HB2 SER A 20 1.894 10.958 2.477 1.00 0.00 H +ATOM 303 HB3 SER A 20 2.070 9.211 2.456 1.00 0.00 H +ATOM 304 HG SER A 20 3.120 10.769 0.374 1.00 0.00 H +TER 305 SER A 20 +ENDMDL +MODEL 11 +ATOM 1 N ASN A 1 -6.688 7.436 -0.473 1.00 0.00 N +ATOM 2 CA ASN A 1 -7.529 6.238 -0.712 1.00 0.00 C +ATOM 3 C ASN A 1 -6.749 5.006 -1.210 1.00 0.00 C +ATOM 4 O ASN A 1 -7.279 3.906 -1.158 1.00 0.00 O +ATOM 5 CB ASN A 1 -8.713 6.573 -1.639 1.00 0.00 C +ATOM 6 CG ASN A 1 -9.880 5.632 -1.366 1.00 0.00 C +ATOM 7 OD1 ASN A 1 -10.413 5.629 -0.269 1.00 0.00 O +ATOM 8 ND2 ASN A 1 -10.300 4.816 -2.315 1.00 0.00 N +ATOM 9 H1 ASN A 1 -5.936 7.221 0.168 1.00 0.00 H +ATOM 10 H2 ASN A 1 -6.305 7.780 -1.344 1.00 0.00 H +ATOM 11 H3 ASN A 1 -7.252 8.169 -0.065 1.00 0.00 H +ATOM 12 HA ASN A 1 -7.963 5.944 0.246 1.00 0.00 H +ATOM 13 HB2 ASN A 1 -9.025 7.584 -1.463 1.00 0.00 H +ATOM 14 HB3 ASN A 1 -8.412 6.523 -2.686 1.00 0.00 H +ATOM 15 HD21 ASN A 1 -9.869 4.743 -3.220 1.00 0.00 H +ATOM 16 HD22 ASN A 1 -11.067 4.224 -2.039 1.00 0.00 H +ATOM 17 N LEU A 2 -5.494 5.147 -1.665 1.00 0.00 N +ATOM 18 CA LEU A 2 -4.691 4.051 -2.237 1.00 0.00 C +ATOM 19 C LEU A 2 -4.046 3.125 -1.181 1.00 0.00 C +ATOM 20 O LEU A 2 -3.429 2.120 -1.531 1.00 0.00 O +ATOM 21 CB LEU A 2 -3.615 4.692 -3.131 1.00 0.00 C +ATOM 22 CG LEU A 2 -4.196 5.327 -4.413 1.00 0.00 C +ATOM 23 CD1 LEU A 2 -3.432 6.605 -4.768 1.00 0.00 C +ATOM 24 CD2 LEU A 2 -4.134 4.351 -5.589 1.00 0.00 C +ATOM 25 H LEU A 2 -5.038 6.044 -1.695 1.00 0.00 H +ATOM 26 HA LEU A 2 -5.328 3.419 -2.859 1.00 0.00 H +ATOM 27 HB2 LEU A 2 -3.113 5.455 -2.568 1.00 0.00 H +ATOM 28 HB3 LEU A 2 -2.872 3.942 -3.409 1.00 0.00 H +ATOM 29 HG LEU A 2 -5.238 5.607 -4.254 1.00 0.00 H +ATOM 30 HD11 LEU A 2 -3.529 7.331 -3.961 1.00 0.00 H +ATOM 31 HD12 LEU A 2 -2.377 6.382 -4.926 1.00 0.00 H +ATOM 32 HD13 LEU A 2 -3.850 7.041 -5.676 1.00 0.00 H +ATOM 33 HD21 LEU A 2 -3.107 4.029 -5.760 1.00 0.00 H +ATOM 34 HD22 LEU A 2 -4.756 3.481 -5.378 1.00 0.00 H +ATOM 35 HD23 LEU A 2 -4.508 4.834 -6.491 1.00 0.00 H +ATOM 36 N TYR A 3 -4.195 3.445 0.111 1.00 0.00 N +ATOM 37 CA TYR A 3 -3.594 2.700 1.221 1.00 0.00 C +ATOM 38 C TYR A 3 -4.029 1.227 1.239 1.00 0.00 C +ATOM 39 O TYR A 3 -3.224 0.352 1.545 1.00 0.00 O +ATOM 40 CB TYR A 3 -3.934 3.395 2.550 1.00 0.00 C +ATOM 41 CG TYR A 3 -2.766 3.426 3.514 1.00 0.00 C +ATOM 42 CD1 TYR A 3 -2.442 2.278 4.260 1.00 0.00 C +ATOM 43 CD2 TYR A 3 -1.987 4.594 3.643 1.00 0.00 C +ATOM 44 CE1 TYR A 3 -1.344 2.291 5.138 1.00 0.00 C +ATOM 45 CE2 TYR A 3 -0.891 4.614 4.527 1.00 0.00 C +ATOM 46 CZ TYR A 3 -0.566 3.461 5.272 1.00 0.00 C +ATOM 47 OH TYR A 3 0.481 3.472 6.138 1.00 0.00 O +ATOM 48 H TYR A 3 -4.719 4.274 0.329 1.00 0.00 H +ATOM 49 HA TYR A 3 -2.512 2.721 1.090 1.00 0.00 H +ATOM 50 HB2 TYR A 3 -4.233 4.404 2.342 1.00 0.00 H +ATOM 51 HB3 TYR A 3 -4.777 2.889 3.026 1.00 0.00 H +ATOM 52 HD1 TYR A 3 -3.039 1.385 4.148 1.00 0.00 H +ATOM 53 HD2 TYR A 3 -2.219 5.478 3.065 1.00 0.00 H +ATOM 54 HE1 TYR A 3 -1.086 1.416 5.715 1.00 0.00 H +ATOM 55 HE2 TYR A 3 -0.292 5.509 4.627 1.00 0.00 H +ATOM 56 HH TYR A 3 0.250 3.913 6.958 1.00 0.00 H +ATOM 57 N ILE A 4 -5.286 0.955 0.858 1.00 0.00 N +ATOM 58 CA ILE A 4 -5.847 -0.393 0.739 1.00 0.00 C +ATOM 59 C ILE A 4 -5.076 -1.179 -0.327 1.00 0.00 C +ATOM 60 O ILE A 4 -4.596 -2.269 -0.040 1.00 0.00 O +ATOM 61 CB ILE A 4 -7.361 -0.341 0.420 1.00 0.00 C +ATOM 62 CG1 ILE A 4 -8.160 0.545 1.415 1.00 0.00 C +ATOM 63 CG2 ILE A 4 -7.962 -1.760 0.413 1.00 0.00 C +ATOM 64 CD1 ILE A 4 -9.201 1.423 0.710 1.00 0.00 C +ATOM 65 H ILE A 4 -5.875 1.740 0.624 1.00 0.00 H +ATOM 66 HA ILE A 4 -5.714 -0.910 1.692 1.00 0.00 H +ATOM 67 HB ILE A 4 -7.471 0.071 -0.583 1.00 0.00 H +ATOM 68 HG12 ILE A 4 -8.664 -0.092 2.116 1.00 0.00 H +ATOM 69 HG13 ILE A 4 -7.498 1.210 1.968 1.00 0.00 H +ATOM 70 HG21 ILE A 4 -7.462 -2.390 -0.323 1.00 0.00 H +ATOM 71 HG22 ILE A 4 -7.853 -2.219 1.398 1.00 0.00 H +ATOM 72 HG23 ILE A 4 -9.022 -1.713 0.159 1.00 0.00 H +ATOM 73 HD11 ILE A 4 -8.755 1.914 -0.157 1.00 0.00 H +ATOM 74 HD12 ILE A 4 -10.046 0.816 0.386 1.00 0.00 H +ATOM 75 HD13 ILE A 4 -9.552 2.192 1.399 1.00 0.00 H +ATOM 76 N GLN A 5 -4.908 -0.611 -1.532 1.00 0.00 N +ATOM 77 CA GLN A 5 -4.116 -1.188 -2.627 1.00 0.00 C +ATOM 78 C GLN A 5 -2.676 -1.485 -2.194 1.00 0.00 C +ATOM 79 O GLN A 5 -2.183 -2.586 -2.432 1.00 0.00 O +ATOM 80 CB GLN A 5 -4.133 -0.239 -3.843 1.00 0.00 C +ATOM 81 CG GLN A 5 -5.217 -0.612 -4.859 1.00 0.00 C +ATOM 82 CD GLN A 5 -5.369 0.472 -5.923 1.00 0.00 C +ATOM 83 OE1 GLN A 5 -6.272 1.289 -5.876 1.00 0.00 O +ATOM 84 NE2 GLN A 5 -4.484 0.535 -6.899 1.00 0.00 N +ATOM 85 H GLN A 5 -5.264 0.324 -1.655 1.00 0.00 H +ATOM 86 HA GLN A 5 -4.559 -2.141 -2.917 1.00 0.00 H +ATOM 87 HB2 GLN A 5 -4.314 0.761 -3.498 1.00 0.00 H +ATOM 88 HB3 GLN A 5 -3.168 -0.273 -4.350 1.00 0.00 H +ATOM 89 HG2 GLN A 5 -4.948 -1.535 -5.335 1.00 0.00 H +ATOM 90 HG3 GLN A 5 -6.173 -0.735 -4.347 1.00 0.00 H +ATOM 91 HE21 GLN A 5 -3.716 -0.109 -6.984 1.00 0.00 H +ATOM 92 HE22 GLN A 5 -4.657 1.272 -7.562 1.00 0.00 H +ATOM 93 N TRP A 6 -2.015 -0.526 -1.535 1.00 0.00 N +ATOM 94 CA TRP A 6 -0.661 -0.714 -1.009 1.00 0.00 C +ATOM 95 C TRP A 6 -0.581 -1.833 0.042 1.00 0.00 C +ATOM 96 O TRP A 6 0.287 -2.706 -0.046 1.00 0.00 O +ATOM 97 CB TRP A 6 -0.147 0.614 -0.453 1.00 0.00 C +ATOM 98 CG TRP A 6 1.240 0.540 0.100 1.00 0.00 C +ATOM 99 CD1 TRP A 6 2.369 0.426 -0.635 1.00 0.00 C +ATOM 100 CD2 TRP A 6 1.668 0.524 1.498 1.00 0.00 C +ATOM 101 NE1 TRP A 6 3.457 0.329 0.207 1.00 0.00 N +ATOM 102 CE2 TRP A 6 3.087 0.401 1.528 1.00 0.00 C +ATOM 103 CE3 TRP A 6 1.008 0.607 2.744 1.00 0.00 C +ATOM 104 CZ2 TRP A 6 3.824 0.375 2.719 1.00 0.00 C +ATOM 105 CZ3 TRP A 6 1.737 0.578 3.950 1.00 0.00 C +ATOM 106 CH2 TRP A 6 3.140 0.468 3.941 1.00 0.00 C +ATOM 107 H TRP A 6 -2.482 0.369 -1.404 1.00 0.00 H +ATOM 108 HA TRP A 6 -0.009 -1.011 -1.832 1.00 0.00 H +ATOM 109 HB2 TRP A 6 -0.158 1.339 -1.244 1.00 0.00 H +ATOM 110 HB3 TRP A 6 -0.819 0.959 0.333 1.00 0.00 H +ATOM 111 HD1 TRP A 6 2.409 0.399 -1.716 1.00 0.00 H +ATOM 112 HE1 TRP A 6 4.432 0.245 -0.091 1.00 0.00 H +ATOM 113 HE3 TRP A 6 -0.065 0.714 2.764 1.00 0.00 H +ATOM 114 HZ2 TRP A 6 4.901 0.285 2.682 1.00 0.00 H +ATOM 115 HZ3 TRP A 6 1.222 0.668 4.895 1.00 0.00 H +ATOM 116 HH2 TRP A 6 3.687 0.462 4.872 1.00 0.00 H +ATOM 117 N LEU A 7 -1.500 -1.852 1.018 1.00 0.00 N +ATOM 118 CA LEU A 7 -1.566 -2.933 2.003 1.00 0.00 C +ATOM 119 C LEU A 7 -1.887 -4.289 1.365 1.00 0.00 C +ATOM 120 O LEU A 7 -1.341 -5.295 1.810 1.00 0.00 O +ATOM 121 CB LEU A 7 -2.578 -2.606 3.117 1.00 0.00 C +ATOM 122 CG LEU A 7 -2.079 -1.558 4.127 1.00 0.00 C +ATOM 123 CD1 LEU A 7 -3.224 -1.188 5.075 1.00 0.00 C +ATOM 124 CD2 LEU A 7 -0.891 -2.038 4.980 1.00 0.00 C +ATOM 125 H LEU A 7 -2.182 -1.096 1.068 1.00 0.00 H +ATOM 126 HA LEU A 7 -0.574 -3.041 2.436 1.00 0.00 H +ATOM 127 HB2 LEU A 7 -3.475 -2.234 2.660 1.00 0.00 H +ATOM 128 HB3 LEU A 7 -2.812 -3.520 3.665 1.00 0.00 H +ATOM 129 HG LEU A 7 -1.776 -0.664 3.583 1.00 0.00 H +ATOM 130 HD11 LEU A 7 -4.066 -0.795 4.505 1.00 0.00 H +ATOM 131 HD12 LEU A 7 -3.553 -2.070 5.626 1.00 0.00 H +ATOM 132 HD13 LEU A 7 -2.889 -0.433 5.787 1.00 0.00 H +ATOM 133 HD21 LEU A 7 -1.235 -2.453 5.927 1.00 0.00 H +ATOM 134 HD22 LEU A 7 -0.314 -2.808 4.473 1.00 0.00 H +ATOM 135 HD23 LEU A 7 -0.234 -1.196 5.184 1.00 0.00 H +ATOM 136 N LYS A 8 -2.711 -4.325 0.308 1.00 0.00 N +ATOM 137 CA LYS A 8 -3.090 -5.545 -0.417 1.00 0.00 C +ATOM 138 C LYS A 8 -1.889 -6.299 -0.992 1.00 0.00 C +ATOM 139 O LYS A 8 -1.885 -7.526 -0.985 1.00 0.00 O +ATOM 140 CB LYS A 8 -4.077 -5.189 -1.537 1.00 0.00 C +ATOM 141 CG LYS A 8 -4.961 -6.377 -1.915 1.00 0.00 C +ATOM 142 CD LYS A 8 -6.092 -5.927 -2.853 1.00 0.00 C +ATOM 143 CE LYS A 8 -6.345 -6.989 -3.925 1.00 0.00 C +ATOM 144 NZ LYS A 8 -7.706 -6.871 -4.496 1.00 0.00 N +ATOM 145 H LYS A 8 -3.163 -3.451 0.044 1.00 0.00 H +ATOM 146 HA LYS A 8 -3.576 -6.217 0.293 1.00 0.00 H +ATOM 147 HB2 LYS A 8 -4.702 -4.383 -1.205 1.00 0.00 H +ATOM 148 HB3 LYS A 8 -3.527 -4.857 -2.421 1.00 0.00 H +ATOM 149 HG2 LYS A 8 -4.364 -7.118 -2.411 1.00 0.00 H +ATOM 150 HG3 LYS A 8 -5.410 -6.796 -1.012 1.00 0.00 H +ATOM 151 HD2 LYS A 8 -6.988 -5.780 -2.282 1.00 0.00 H +ATOM 152 HD3 LYS A 8 -5.831 -4.988 -3.347 1.00 0.00 H +ATOM 153 HE2 LYS A 8 -5.625 -6.869 -4.712 1.00 0.00 H +ATOM 154 HE3 LYS A 8 -6.210 -7.979 -3.483 1.00 0.00 H +ATOM 155 HZ1 LYS A 8 -8.393 -7.094 -3.788 1.00 0.00 H +ATOM 156 HZ2 LYS A 8 -7.869 -5.930 -4.825 1.00 0.00 H +ATOM 157 HZ3 LYS A 8 -7.818 -7.515 -5.269 1.00 0.00 H +ATOM 158 N ASP A 9 -0.879 -5.565 -1.461 1.00 0.00 N +ATOM 159 CA ASP A 9 0.388 -6.124 -1.938 1.00 0.00 C +ATOM 160 C ASP A 9 1.241 -6.707 -0.792 1.00 0.00 C +ATOM 161 O ASP A 9 2.087 -7.564 -1.026 1.00 0.00 O +ATOM 162 CB ASP A 9 1.146 -5.019 -2.691 1.00 0.00 C +ATOM 163 CG ASP A 9 2.006 -5.586 -3.819 1.00 0.00 C +ATOM 164 OD1 ASP A 9 3.181 -5.908 -3.534 1.00 0.00 O +ATOM 165 OD2 ASP A 9 1.487 -5.664 -4.954 1.00 0.00 O +ATOM 166 H ASP A 9 -0.992 -4.558 -1.468 1.00 0.00 H +ATOM 167 HA ASP A 9 0.170 -6.935 -2.635 1.00 0.00 H +ATOM 168 HB2 ASP A 9 0.435 -4.333 -3.108 1.00 0.00 H +ATOM 169 HB3 ASP A 9 1.772 -4.458 -1.992 1.00 0.00 H +ATOM 170 N GLY A 10 0.985 -6.274 0.450 1.00 0.00 N +ATOM 171 CA GLY A 10 1.737 -6.639 1.646 1.00 0.00 C +ATOM 172 C GLY A 10 2.495 -5.468 2.278 1.00 0.00 C +ATOM 173 O GLY A 10 3.461 -5.715 3.003 1.00 0.00 O +ATOM 174 H GLY A 10 0.165 -5.692 0.580 1.00 0.00 H +ATOM 175 HA2 GLY A 10 1.039 -7.025 2.389 1.00 0.00 H +ATOM 176 HA3 GLY A 10 2.442 -7.433 1.411 1.00 0.00 H +ATOM 177 N GLY A 11 2.110 -4.213 1.995 1.00 0.00 N +ATOM 178 CA GLY A 11 2.673 -3.013 2.615 1.00 0.00 C +ATOM 179 C GLY A 11 4.207 -2.948 2.501 1.00 0.00 C +ATOM 180 O GLY A 11 4.725 -3.042 1.386 1.00 0.00 O +ATOM 181 H GLY A 11 1.398 -4.072 1.288 1.00 0.00 H +ATOM 182 HA2 GLY A 11 2.258 -2.139 2.116 1.00 0.00 H +ATOM 183 HA3 GLY A 11 2.357 -2.986 3.655 1.00 0.00 H +ATOM 184 N PRO A 12 4.960 -2.809 3.616 1.00 0.00 N +ATOM 185 CA PRO A 12 6.424 -2.779 3.578 1.00 0.00 C +ATOM 186 C PRO A 12 7.069 -4.028 2.960 1.00 0.00 C +ATOM 187 O PRO A 12 8.189 -3.932 2.461 1.00 0.00 O +ATOM 188 CB PRO A 12 6.890 -2.607 5.031 1.00 0.00 C +ATOM 189 CG PRO A 12 5.663 -2.077 5.767 1.00 0.00 C +ATOM 190 CD PRO A 12 4.496 -2.685 4.991 1.00 0.00 C +ATOM 191 HA PRO A 12 6.736 -1.908 3.002 1.00 0.00 H +ATOM 192 HB2 PRO A 12 7.202 -3.547 5.443 1.00 0.00 H +ATOM 193 HB3 PRO A 12 7.726 -1.910 5.099 1.00 0.00 H +ATOM 194 HG2 PRO A 12 5.657 -2.404 6.789 1.00 0.00 H +ATOM 195 HG3 PRO A 12 5.630 -0.990 5.687 1.00 0.00 H +ATOM 196 HD2 PRO A 12 4.243 -3.649 5.389 1.00 0.00 H +ATOM 197 HD3 PRO A 12 3.623 -2.038 5.075 1.00 0.00 H +ATOM 198 N SER A 13 6.387 -5.186 2.959 1.00 0.00 N +ATOM 199 CA SER A 13 6.949 -6.443 2.439 1.00 0.00 C +ATOM 200 C SER A 13 7.314 -6.364 0.949 1.00 0.00 C +ATOM 201 O SER A 13 8.295 -6.974 0.530 1.00 0.00 O +ATOM 202 CB SER A 13 6.004 -7.621 2.705 1.00 0.00 C +ATOM 203 OG SER A 13 4.930 -7.624 1.798 1.00 0.00 O +ATOM 204 H SER A 13 5.432 -5.191 3.307 1.00 0.00 H +ATOM 205 HA SER A 13 7.871 -6.641 2.985 1.00 0.00 H +ATOM 206 HB2 SER A 13 6.551 -8.539 2.604 1.00 0.00 H +ATOM 207 HB3 SER A 13 5.606 -7.556 3.718 1.00 0.00 H +ATOM 208 HG SER A 13 4.348 -6.883 2.036 1.00 0.00 H +ATOM 209 N SER A 14 6.579 -5.561 0.169 1.00 0.00 N +ATOM 210 CA SER A 14 6.820 -5.327 -1.256 1.00 0.00 C +ATOM 211 C SER A 14 7.922 -4.294 -1.522 1.00 0.00 C +ATOM 212 O SER A 14 8.242 -4.017 -2.677 1.00 0.00 O +ATOM 213 CB SER A 14 5.537 -4.831 -1.928 1.00 0.00 C +ATOM 214 OG SER A 14 4.441 -5.626 -1.548 1.00 0.00 O +ATOM 215 H SER A 14 5.746 -5.132 0.560 1.00 0.00 H +ATOM 216 HA SER A 14 7.104 -6.271 -1.725 1.00 0.00 H +ATOM 217 HB2 SER A 14 5.355 -3.815 -1.634 1.00 0.00 H +ATOM 218 HB3 SER A 14 5.656 -4.884 -3.011 1.00 0.00 H +ATOM 219 HG SER A 14 3.881 -5.799 -2.406 1.00 0.00 H +ATOM 220 N GLY A 15 8.461 -3.653 -0.477 1.00 0.00 N +ATOM 221 CA GLY A 15 9.520 -2.646 -0.549 1.00 0.00 C +ATOM 222 C GLY A 15 9.063 -1.246 -0.987 1.00 0.00 C +ATOM 223 O GLY A 15 9.688 -0.260 -0.601 1.00 0.00 O +ATOM 224 H GLY A 15 8.144 -3.918 0.453 1.00 0.00 H +ATOM 225 HA2 GLY A 15 9.982 -2.562 0.434 1.00 0.00 H +ATOM 226 HA3 GLY A 15 10.282 -2.988 -1.252 1.00 0.00 H +ATOM 227 N ARG A 16 7.983 -1.136 -1.775 1.00 0.00 N +ATOM 228 CA ARG A 16 7.407 0.144 -2.217 1.00 0.00 C +ATOM 229 C ARG A 16 6.873 0.959 -1.017 1.00 0.00 C +ATOM 230 O ARG A 16 6.188 0.381 -0.171 1.00 0.00 O +ATOM 231 CB ARG A 16 6.295 -0.134 -3.247 1.00 0.00 C +ATOM 232 CG ARG A 16 5.773 1.159 -3.895 1.00 0.00 C +ATOM 233 CD ARG A 16 4.638 0.926 -4.896 1.00 0.00 C +ATOM 234 NE ARG A 16 5.119 0.301 -6.142 1.00 0.00 N +ATOM 235 CZ ARG A 16 4.470 0.248 -7.298 1.00 0.00 C +ATOM 236 NH1 ARG A 16 3.270 0.763 -7.440 1.00 0.00 N +ATOM 237 NH2 ARG A 16 5.020 -0.326 -8.342 1.00 0.00 N +ATOM 238 H ARG A 16 7.569 -2.007 -2.081 1.00 0.00 H +ATOM 239 HA ARG A 16 8.207 0.703 -2.701 1.00 0.00 H +ATOM 240 HB2 ARG A 16 6.686 -0.773 -4.015 1.00 0.00 H +ATOM 241 HB3 ARG A 16 5.468 -0.652 -2.755 1.00 0.00 H +ATOM 242 HG2 ARG A 16 5.414 1.807 -3.119 1.00 0.00 H +ATOM 243 HG3 ARG A 16 6.591 1.664 -4.410 1.00 0.00 H +ATOM 244 HD2 ARG A 16 3.906 0.283 -4.446 1.00 0.00 H +ATOM 245 HD3 ARG A 16 4.201 1.899 -5.127 1.00 0.00 H +ATOM 246 HE ARG A 16 6.032 -0.122 -6.114 1.00 0.00 H +ATOM 247 HH11 ARG A 16 2.845 1.192 -6.637 1.00 0.00 H +ATOM 248 HH12 ARG A 16 2.779 0.716 -8.314 1.00 0.00 H +ATOM 249 HH21 ARG A 16 5.933 -0.740 -8.273 1.00 0.00 H +ATOM 250 HH22 ARG A 16 4.520 -0.368 -9.211 1.00 0.00 H +ATOM 251 N PRO A 17 7.105 2.288 -0.945 1.00 0.00 N +ATOM 252 CA PRO A 17 6.592 3.134 0.139 1.00 0.00 C +ATOM 253 C PRO A 17 5.058 3.310 0.093 1.00 0.00 C +ATOM 254 O PRO A 17 4.451 3.102 -0.962 1.00 0.00 O +ATOM 255 CB PRO A 17 7.309 4.480 -0.034 1.00 0.00 C +ATOM 256 CG PRO A 17 7.588 4.545 -1.531 1.00 0.00 C +ATOM 257 CD PRO A 17 7.889 3.089 -1.878 1.00 0.00 C +ATOM 258 HA PRO A 17 6.871 2.694 1.095 1.00 0.00 H +ATOM 259 HB2 PRO A 17 6.679 5.292 0.274 1.00 0.00 H +ATOM 260 HB3 PRO A 17 8.253 4.460 0.511 1.00 0.00 H +ATOM 261 HG2 PRO A 17 6.731 4.902 -2.069 1.00 0.00 H +ATOM 262 HG3 PRO A 17 8.431 5.198 -1.763 1.00 0.00 H +ATOM 263 HD2 PRO A 17 7.597 2.878 -2.889 1.00 0.00 H +ATOM 264 HD3 PRO A 17 8.949 2.883 -1.728 1.00 0.00 H +ATOM 265 N PRO A 18 4.425 3.724 1.211 1.00 0.00 N +ATOM 266 CA PRO A 18 2.983 3.945 1.275 1.00 0.00 C +ATOM 267 C PRO A 18 2.554 5.198 0.492 1.00 0.00 C +ATOM 268 O PRO A 18 3.293 6.183 0.449 1.00 0.00 O +ATOM 269 CB PRO A 18 2.654 4.089 2.764 1.00 0.00 C +ATOM 270 CG PRO A 18 3.948 4.624 3.370 1.00 0.00 C +ATOM 271 CD PRO A 18 5.036 3.983 2.507 1.00 0.00 C +ATOM 272 HA PRO A 18 2.476 3.068 0.878 1.00 0.00 H +ATOM 273 HB2 PRO A 18 1.847 4.781 2.913 1.00 0.00 H +ATOM 274 HB3 PRO A 18 2.438 3.109 3.186 1.00 0.00 H +ATOM 275 HG2 PRO A 18 3.988 5.694 3.306 1.00 0.00 H +ATOM 276 HG3 PRO A 18 4.049 4.343 4.419 1.00 0.00 H +ATOM 277 HD2 PRO A 18 5.868 4.652 2.399 1.00 0.00 H +ATOM 278 HD3 PRO A 18 5.351 3.039 2.955 1.00 0.00 H +ATOM 279 N PRO A 19 1.342 5.203 -0.093 1.00 0.00 N +ATOM 280 CA PRO A 19 0.805 6.357 -0.803 1.00 0.00 C +ATOM 281 C PRO A 19 0.320 7.423 0.190 1.00 0.00 C +ATOM 282 O PRO A 19 -0.257 7.100 1.229 1.00 0.00 O +ATOM 283 CB PRO A 19 -0.339 5.795 -1.648 1.00 0.00 C +ATOM 284 CG PRO A 19 -0.864 4.631 -0.807 1.00 0.00 C +ATOM 285 CD PRO A 19 0.380 4.112 -0.089 1.00 0.00 C +ATOM 286 HA PRO A 19 1.566 6.787 -1.457 1.00 0.00 H +ATOM 287 HB2 PRO A 19 -1.102 6.533 -1.800 1.00 0.00 H +ATOM 288 HB3 PRO A 19 0.063 5.409 -2.586 1.00 0.00 H +ATOM 289 HG2 PRO A 19 -1.599 4.969 -0.102 1.00 0.00 H +ATOM 290 HG3 PRO A 19 -1.304 3.856 -1.430 1.00 0.00 H +ATOM 291 HD2 PRO A 19 0.138 3.834 0.919 1.00 0.00 H +ATOM 292 HD3 PRO A 19 0.800 3.273 -0.642 1.00 0.00 H +ATOM 293 N SER A 20 0.540 8.696 -0.154 1.00 0.00 N +ATOM 294 CA SER A 20 0.107 9.883 0.597 1.00 0.00 C +ATOM 295 C SER A 20 -0.517 10.892 -0.359 1.00 0.00 C +ATOM 296 O SER A 20 0.173 11.221 -1.351 1.00 0.00 O +ATOM 297 CB SER A 20 1.287 10.518 1.338 1.00 0.00 C +ATOM 298 OG SER A 20 1.823 9.586 2.254 1.00 0.00 O +ATOM 299 OXT SER A 20 -1.676 11.275 -0.100 1.00 0.00 O +ATOM 300 H SER A 20 0.976 8.906 -1.042 1.00 0.00 H +ATOM 301 HA SER A 20 -0.660 9.612 1.323 1.00 0.00 H +ATOM 302 HB2 SER A 20 2.043 10.801 0.631 1.00 0.00 H +ATOM 303 HB3 SER A 20 0.947 11.404 1.878 1.00 0.00 H +ATOM 304 HG SER A 20 1.894 8.744 1.792 1.00 0.00 H +TER 305 SER A 20 +ENDMDL +MODEL 12 +ATOM 1 N ASN A 1 -4.775 8.349 0.978 1.00 0.00 N +ATOM 2 CA ASN A 1 -5.666 7.501 0.145 1.00 0.00 C +ATOM 3 C ASN A 1 -4.883 6.315 -0.422 1.00 0.00 C +ATOM 4 O ASN A 1 -3.710 6.189 -0.099 1.00 0.00 O +ATOM 5 CB ASN A 1 -6.368 8.312 -0.963 1.00 0.00 C +ATOM 6 CG ASN A 1 -7.731 7.695 -1.245 1.00 0.00 C +ATOM 7 OD1 ASN A 1 -8.561 7.621 -0.357 1.00 0.00 O +ATOM 8 ND2 ASN A 1 -7.984 7.161 -2.427 1.00 0.00 N +ATOM 9 H1 ASN A 1 -4.291 7.782 1.665 1.00 0.00 H +ATOM 10 H2 ASN A 1 -4.059 8.774 0.407 1.00 0.00 H +ATOM 11 H3 ASN A 1 -5.305 9.067 1.452 1.00 0.00 H +ATOM 12 HA ASN A 1 -6.445 7.096 0.797 1.00 0.00 H +ATOM 13 HB2 ASN A 1 -6.493 9.328 -0.640 1.00 0.00 H +ATOM 14 HB3 ASN A 1 -5.758 8.337 -1.869 1.00 0.00 H +ATOM 15 HD21 ASN A 1 -7.370 7.224 -3.224 1.00 0.00 H +ATOM 16 HD22 ASN A 1 -8.930 6.818 -2.517 1.00 0.00 H +ATOM 17 N LEU A 2 -5.505 5.439 -1.230 1.00 0.00 N +ATOM 18 CA LEU A 2 -4.870 4.301 -1.933 1.00 0.00 C +ATOM 19 C LEU A 2 -4.253 3.217 -1.013 1.00 0.00 C +ATOM 20 O LEU A 2 -3.725 2.212 -1.488 1.00 0.00 O +ATOM 21 CB LEU A 2 -3.879 4.858 -2.987 1.00 0.00 C +ATOM 22 CG LEU A 2 -3.862 4.103 -4.338 1.00 0.00 C +ATOM 23 CD1 LEU A 2 -3.942 5.102 -5.500 1.00 0.00 C +ATOM 24 CD2 LEU A 2 -2.594 3.266 -4.529 1.00 0.00 C +ATOM 25 H LEU A 2 -6.484 5.595 -1.443 1.00 0.00 H +ATOM 26 HA LEU A 2 -5.671 3.797 -2.474 1.00 0.00 H +ATOM 27 HB2 LEU A 2 -4.141 5.880 -3.181 1.00 0.00 H +ATOM 28 HB3 LEU A 2 -2.875 4.881 -2.566 1.00 0.00 H +ATOM 29 HG LEU A 2 -4.728 3.445 -4.407 1.00 0.00 H +ATOM 30 HD11 LEU A 2 -4.863 5.680 -5.430 1.00 0.00 H +ATOM 31 HD12 LEU A 2 -3.088 5.780 -5.472 1.00 0.00 H +ATOM 32 HD13 LEU A 2 -3.942 4.567 -6.450 1.00 0.00 H +ATOM 33 HD21 LEU A 2 -1.714 3.909 -4.532 1.00 0.00 H +ATOM 34 HD22 LEU A 2 -2.501 2.537 -3.726 1.00 0.00 H +ATOM 35 HD23 LEU A 2 -2.650 2.733 -5.479 1.00 0.00 H +ATOM 36 N TYR A 3 -4.358 3.387 0.311 1.00 0.00 N +ATOM 37 CA TYR A 3 -3.724 2.561 1.334 1.00 0.00 C +ATOM 38 C TYR A 3 -4.131 1.084 1.243 1.00 0.00 C +ATOM 39 O TYR A 3 -3.272 0.213 1.349 1.00 0.00 O +ATOM 40 CB TYR A 3 -4.034 3.171 2.713 1.00 0.00 C +ATOM 41 CG TYR A 3 -3.135 2.703 3.842 1.00 0.00 C +ATOM 42 CD1 TYR A 3 -1.737 2.851 3.727 1.00 0.00 C +ATOM 43 CD2 TYR A 3 -3.685 2.171 5.024 1.00 0.00 C +ATOM 44 CE1 TYR A 3 -0.891 2.412 4.759 1.00 0.00 C +ATOM 45 CE2 TYR A 3 -2.842 1.741 6.067 1.00 0.00 C +ATOM 46 CZ TYR A 3 -1.438 1.829 5.920 1.00 0.00 C +ATOM 47 OH TYR A 3 -0.611 1.332 6.879 1.00 0.00 O +ATOM 48 H TYR A 3 -4.748 4.266 0.609 1.00 0.00 H +ATOM 49 HA TYR A 3 -2.648 2.608 1.169 1.00 0.00 H +ATOM 50 HB2 TYR A 3 -3.940 4.237 2.633 1.00 0.00 H +ATOM 51 HB3 TYR A 3 -5.076 2.964 2.965 1.00 0.00 H +ATOM 52 HD1 TYR A 3 -1.301 3.304 2.848 1.00 0.00 H +ATOM 53 HD2 TYR A 3 -4.757 2.089 5.139 1.00 0.00 H +ATOM 54 HE1 TYR A 3 0.181 2.515 4.674 1.00 0.00 H +ATOM 55 HE2 TYR A 3 -3.268 1.331 6.971 1.00 0.00 H +ATOM 56 HH TYR A 3 -1.077 0.804 7.527 1.00 0.00 H +ATOM 57 N ILE A 4 -5.411 0.798 0.958 1.00 0.00 N +ATOM 58 CA ILE A 4 -5.929 -0.561 0.735 1.00 0.00 C +ATOM 59 C ILE A 4 -5.151 -1.265 -0.392 1.00 0.00 C +ATOM 60 O ILE A 4 -4.770 -2.424 -0.234 1.00 0.00 O +ATOM 61 CB ILE A 4 -7.448 -0.558 0.412 1.00 0.00 C +ATOM 62 CG1 ILE A 4 -8.318 0.310 1.355 1.00 0.00 C +ATOM 63 CG2 ILE A 4 -8.010 -2.000 0.433 1.00 0.00 C +ATOM 64 CD1 ILE A 4 -8.502 1.763 0.894 1.00 0.00 C +ATOM 65 H ILE A 4 -6.043 1.576 0.880 1.00 0.00 H +ATOM 66 HA ILE A 4 -5.774 -1.132 1.651 1.00 0.00 H +ATOM 67 HB ILE A 4 -7.573 -0.182 -0.605 1.00 0.00 H +ATOM 68 HG12 ILE A 4 -9.288 -0.144 1.429 1.00 0.00 H +ATOM 69 HG13 ILE A 4 -7.900 0.296 2.364 1.00 0.00 H +ATOM 70 HG21 ILE A 4 -7.241 -2.738 0.216 1.00 0.00 H +ATOM 71 HG22 ILE A 4 -8.427 -2.236 1.414 1.00 0.00 H +ATOM 72 HG23 ILE A 4 -8.799 -2.084 -0.315 1.00 0.00 H +ATOM 73 HD11 ILE A 4 -7.575 2.327 0.979 1.00 0.00 H +ATOM 74 HD12 ILE A 4 -8.846 1.782 -0.141 1.00 0.00 H +ATOM 75 HD13 ILE A 4 -9.256 2.242 1.519 1.00 0.00 H +ATOM 76 N GLN A 5 -4.901 -0.573 -1.513 1.00 0.00 N +ATOM 77 CA GLN A 5 -4.125 -1.106 -2.634 1.00 0.00 C +ATOM 78 C GLN A 5 -2.693 -1.437 -2.204 1.00 0.00 C +ATOM 79 O GLN A 5 -2.251 -2.565 -2.402 1.00 0.00 O +ATOM 80 CB GLN A 5 -4.128 -0.128 -3.830 1.00 0.00 C +ATOM 81 CG GLN A 5 -5.010 -0.590 -5.001 1.00 0.00 C +ATOM 82 CD GLN A 5 -4.334 -0.299 -6.339 1.00 0.00 C +ATOM 83 OE1 GLN A 5 -4.559 0.724 -6.965 1.00 0.00 O +ATOM 84 NE2 GLN A 5 -3.468 -1.181 -6.803 1.00 0.00 N +ATOM 85 H GLN A 5 -5.142 0.409 -1.535 1.00 0.00 H +ATOM 86 HA GLN A 5 -4.578 -2.049 -2.940 1.00 0.00 H +ATOM 87 HB2 GLN A 5 -4.488 0.824 -3.489 1.00 0.00 H +ATOM 88 HB3 GLN A 5 -3.103 -0.020 -4.191 1.00 0.00 H +ATOM 89 HG2 GLN A 5 -5.182 -1.646 -4.916 1.00 0.00 H +ATOM 90 HG3 GLN A 5 -5.966 -0.069 -4.961 1.00 0.00 H +ATOM 91 HE21 GLN A 5 -3.220 -2.017 -6.300 1.00 0.00 H +ATOM 92 HE22 GLN A 5 -3.046 -0.932 -7.681 1.00 0.00 H +ATOM 93 N TRP A 6 -1.990 -0.483 -1.580 1.00 0.00 N +ATOM 94 CA TRP A 6 -0.617 -0.690 -1.102 1.00 0.00 C +ATOM 95 C TRP A 6 -0.505 -1.806 -0.047 1.00 0.00 C +ATOM 96 O TRP A 6 0.434 -2.605 -0.072 1.00 0.00 O +ATOM 97 CB TRP A 6 -0.075 0.634 -0.556 1.00 0.00 C +ATOM 98 CG TRP A 6 1.309 0.540 0.003 1.00 0.00 C +ATOM 99 CD1 TRP A 6 2.446 0.522 -0.728 1.00 0.00 C +ATOM 100 CD2 TRP A 6 1.725 0.405 1.396 1.00 0.00 C +ATOM 101 NE1 TRP A 6 3.531 0.366 0.112 1.00 0.00 N +ATOM 102 CE2 TRP A 6 3.148 0.312 1.431 1.00 0.00 C +ATOM 103 CE3 TRP A 6 1.050 0.354 2.636 1.00 0.00 C +ATOM 104 CZ2 TRP A 6 3.871 0.207 2.626 1.00 0.00 C +ATOM 105 CZ3 TRP A 6 1.766 0.241 3.845 1.00 0.00 C +ATOM 106 CH2 TRP A 6 3.172 0.180 3.843 1.00 0.00 C +ATOM 107 H TRP A 6 -2.436 0.418 -1.445 1.00 0.00 H +ATOM 108 HA TRP A 6 0.001 -0.996 -1.948 1.00 0.00 H +ATOM 109 HB2 TRP A 6 -0.069 1.351 -1.354 1.00 0.00 H +ATOM 110 HB3 TRP A 6 -0.741 0.996 0.231 1.00 0.00 H +ATOM 111 HD1 TRP A 6 2.490 0.606 -1.806 1.00 0.00 H +ATOM 112 HE1 TRP A 6 4.506 0.317 -0.195 1.00 0.00 H +ATOM 113 HE3 TRP A 6 -0.028 0.413 2.652 1.00 0.00 H +ATOM 114 HZ2 TRP A 6 4.948 0.144 2.596 1.00 0.00 H +ATOM 115 HZ3 TRP A 6 1.233 0.211 4.786 1.00 0.00 H +ATOM 116 HH2 TRP A 6 3.712 0.109 4.775 1.00 0.00 H +ATOM 117 N LEU A 7 -1.478 -1.903 0.868 1.00 0.00 N +ATOM 118 CA LEU A 7 -1.565 -3.023 1.803 1.00 0.00 C +ATOM 119 C LEU A 7 -1.788 -4.359 1.077 1.00 0.00 C +ATOM 120 O LEU A 7 -1.184 -5.351 1.478 1.00 0.00 O +ATOM 121 CB LEU A 7 -2.659 -2.772 2.854 1.00 0.00 C +ATOM 122 CG LEU A 7 -2.323 -1.690 3.899 1.00 0.00 C +ATOM 123 CD1 LEU A 7 -3.521 -1.550 4.842 1.00 0.00 C +ATOM 124 CD2 LEU A 7 -1.085 -2.027 4.739 1.00 0.00 C +ATOM 125 H LEU A 7 -2.200 -1.184 0.892 1.00 0.00 H +ATOM 126 HA LEU A 7 -0.606 -3.120 2.310 1.00 0.00 H +ATOM 127 HB2 LEU A 7 -3.552 -2.472 2.340 1.00 0.00 H +ATOM 128 HB3 LEU A 7 -2.840 -3.707 3.385 1.00 0.00 H +ATOM 129 HG LEU A 7 -2.150 -0.733 3.410 1.00 0.00 H +ATOM 130 HD11 LEU A 7 -4.397 -1.228 4.278 1.00 0.00 H +ATOM 131 HD12 LEU A 7 -3.729 -2.502 5.330 1.00 0.00 H +ATOM 132 HD13 LEU A 7 -3.305 -0.807 5.605 1.00 0.00 H +ATOM 133 HD21 LEU A 7 -1.199 -3.007 5.202 1.00 0.00 H +ATOM 134 HD22 LEU A 7 -0.194 -2.019 4.114 1.00 0.00 H +ATOM 135 HD23 LEU A 7 -0.952 -1.273 5.515 1.00 0.00 H +ATOM 136 N LYS A 8 -2.578 -4.390 -0.010 1.00 0.00 N +ATOM 137 CA LYS A 8 -2.803 -5.590 -0.835 1.00 0.00 C +ATOM 138 C LYS A 8 -1.523 -6.177 -1.436 1.00 0.00 C +ATOM 139 O LYS A 8 -1.444 -7.395 -1.565 1.00 0.00 O +ATOM 140 CB LYS A 8 -3.841 -5.306 -1.943 1.00 0.00 C +ATOM 141 CG LYS A 8 -5.102 -6.183 -1.820 1.00 0.00 C +ATOM 142 CD LYS A 8 -6.388 -5.360 -1.964 1.00 0.00 C +ATOM 143 CE LYS A 8 -7.575 -6.172 -1.439 1.00 0.00 C +ATOM 144 NZ LYS A 8 -8.803 -5.348 -1.365 1.00 0.00 N +ATOM 145 H LYS A 8 -3.058 -3.531 -0.269 1.00 0.00 H +ATOM 146 HA LYS A 8 -3.176 -6.367 -0.170 1.00 0.00 H +ATOM 147 HB2 LYS A 8 -4.133 -4.275 -1.883 1.00 0.00 H +ATOM 148 HB3 LYS A 8 -3.394 -5.473 -2.925 1.00 0.00 H +ATOM 149 HG2 LYS A 8 -5.081 -6.931 -2.589 1.00 0.00 H +ATOM 150 HG3 LYS A 8 -5.122 -6.674 -0.847 1.00 0.00 H +ATOM 151 HD2 LYS A 8 -6.297 -4.453 -1.399 1.00 0.00 H +ATOM 152 HD3 LYS A 8 -6.539 -5.092 -3.010 1.00 0.00 H +ATOM 153 HE2 LYS A 8 -7.750 -7.001 -2.098 1.00 0.00 H +ATOM 154 HE3 LYS A 8 -7.320 -6.540 -0.441 1.00 0.00 H +ATOM 155 HZ1 LYS A 8 -8.641 -4.541 -0.776 1.00 0.00 H +ATOM 156 HZ2 LYS A 8 -9.066 -5.030 -2.289 1.00 0.00 H +ATOM 157 HZ3 LYS A 8 -9.564 -5.888 -0.973 1.00 0.00 H +ATOM 158 N ASP A 9 -0.517 -5.351 -1.751 1.00 0.00 N +ATOM 159 CA ASP A 9 0.810 -5.841 -2.151 1.00 0.00 C +ATOM 160 C ASP A 9 1.554 -6.575 -1.011 1.00 0.00 C +ATOM 161 O ASP A 9 2.438 -7.380 -1.298 1.00 0.00 O +ATOM 162 CB ASP A 9 1.696 -4.676 -2.632 1.00 0.00 C +ATOM 163 CG ASP A 9 1.245 -3.986 -3.921 1.00 0.00 C +ATOM 164 OD1 ASP A 9 1.597 -4.502 -5.006 1.00 0.00 O +ATOM 165 OD2 ASP A 9 0.666 -2.883 -3.811 1.00 0.00 O +ATOM 166 H ASP A 9 -0.685 -4.351 -1.702 1.00 0.00 H +ATOM 167 HA ASP A 9 0.696 -6.548 -2.974 1.00 0.00 H +ATOM 168 HB2 ASP A 9 1.720 -3.937 -1.854 1.00 0.00 H +ATOM 169 HB3 ASP A 9 2.698 -5.068 -2.815 1.00 0.00 H +ATOM 170 N GLY A 10 1.225 -6.295 0.263 1.00 0.00 N +ATOM 171 CA GLY A 10 1.982 -6.737 1.446 1.00 0.00 C +ATOM 172 C GLY A 10 2.507 -5.606 2.352 1.00 0.00 C +ATOM 173 O GLY A 10 3.317 -5.867 3.245 1.00 0.00 O +ATOM 174 H GLY A 10 0.375 -5.762 0.424 1.00 0.00 H +ATOM 175 HA2 GLY A 10 1.336 -7.376 2.049 1.00 0.00 H +ATOM 176 HA3 GLY A 10 2.840 -7.334 1.133 1.00 0.00 H +ATOM 177 N GLY A 11 2.078 -4.353 2.136 1.00 0.00 N +ATOM 178 CA GLY A 11 2.489 -3.194 2.933 1.00 0.00 C +ATOM 179 C GLY A 11 4.018 -3.015 3.017 1.00 0.00 C +ATOM 180 O GLY A 11 4.676 -2.975 1.975 1.00 0.00 O +ATOM 181 H GLY A 11 1.434 -4.188 1.373 1.00 0.00 H +ATOM 182 HA2 GLY A 11 2.070 -2.296 2.478 1.00 0.00 H +ATOM 183 HA3 GLY A 11 2.056 -3.301 3.926 1.00 0.00 H +ATOM 184 N PRO A 12 4.624 -2.897 4.222 1.00 0.00 N +ATOM 185 CA PRO A 12 6.074 -2.717 4.372 1.00 0.00 C +ATOM 186 C PRO A 12 6.928 -3.824 3.735 1.00 0.00 C +ATOM 187 O PRO A 12 8.086 -3.582 3.404 1.00 0.00 O +ATOM 188 CB PRO A 12 6.342 -2.659 5.880 1.00 0.00 C +ATOM 189 CG PRO A 12 4.997 -2.271 6.487 1.00 0.00 C +ATOM 190 CD PRO A 12 3.985 -2.895 5.530 1.00 0.00 C +ATOM 191 HA PRO A 12 6.352 -1.763 3.924 1.00 0.00 H +ATOM 192 HB2 PRO A 12 6.663 -3.615 6.246 1.00 0.00 H +ATOM 193 HB3 PRO A 12 7.115 -1.929 6.121 1.00 0.00 H +ATOM 194 HG2 PRO A 12 4.891 -2.675 7.475 1.00 0.00 H +ATOM 195 HG3 PRO A 12 4.893 -1.186 6.477 1.00 0.00 H +ATOM 196 HD2 PRO A 12 3.753 -3.898 5.834 1.00 0.00 H +ATOM 197 HD3 PRO A 12 3.065 -2.308 5.536 1.00 0.00 H +ATOM 198 N SER A 13 6.371 -5.030 3.550 1.00 0.00 N +ATOM 199 CA SER A 13 7.084 -6.170 2.958 1.00 0.00 C +ATOM 200 C SER A 13 7.083 -6.156 1.418 1.00 0.00 C +ATOM 201 O SER A 13 7.625 -7.072 0.804 1.00 0.00 O +ATOM 202 CB SER A 13 6.515 -7.484 3.508 1.00 0.00 C +ATOM 203 OG SER A 13 6.707 -7.539 4.910 1.00 0.00 O +ATOM 204 H SER A 13 5.380 -5.139 3.743 1.00 0.00 H +ATOM 205 HA SER A 13 8.130 -6.125 3.264 1.00 0.00 H +ATOM 206 HB2 SER A 13 5.466 -7.537 3.290 1.00 0.00 H +ATOM 207 HB3 SER A 13 7.033 -8.329 3.054 1.00 0.00 H +ATOM 208 HG SER A 13 6.297 -6.766 5.305 1.00 0.00 H +ATOM 209 N SER A 14 6.505 -5.124 0.784 1.00 0.00 N +ATOM 210 CA SER A 14 6.326 -5.021 -0.674 1.00 0.00 C +ATOM 211 C SER A 14 7.445 -4.276 -1.413 1.00 0.00 C +ATOM 212 O SER A 14 7.363 -4.116 -2.632 1.00 0.00 O +ATOM 213 CB SER A 14 5.029 -4.263 -0.971 1.00 0.00 C +ATOM 214 OG SER A 14 3.953 -4.822 -0.267 1.00 0.00 O +ATOM 215 H SER A 14 6.012 -4.435 1.345 1.00 0.00 H +ATOM 216 HA SER A 14 6.241 -6.022 -1.098 1.00 0.00 H +ATOM 217 HB2 SER A 14 5.146 -3.237 -0.678 1.00 0.00 H +ATOM 218 HB3 SER A 14 4.818 -4.312 -2.040 1.00 0.00 H +ATOM 219 HG SER A 14 3.220 -4.203 -0.295 1.00 0.00 H +ATOM 220 N GLY A 15 8.438 -3.724 -0.707 1.00 0.00 N +ATOM 221 CA GLY A 15 9.507 -2.889 -1.274 1.00 0.00 C +ATOM 222 C GLY A 15 9.063 -1.480 -1.708 1.00 0.00 C +ATOM 223 O GLY A 15 9.798 -0.518 -1.489 1.00 0.00 O +ATOM 224 H GLY A 15 8.430 -3.884 0.291 1.00 0.00 H +ATOM 225 HA2 GLY A 15 10.304 -2.784 -0.538 1.00 0.00 H +ATOM 226 HA3 GLY A 15 9.927 -3.393 -2.147 1.00 0.00 H +ATOM 227 N ARG A 16 7.872 -1.340 -2.309 1.00 0.00 N +ATOM 228 CA ARG A 16 7.271 -0.051 -2.694 1.00 0.00 C +ATOM 229 C ARG A 16 6.858 0.790 -1.462 1.00 0.00 C +ATOM 230 O ARG A 16 6.260 0.241 -0.533 1.00 0.00 O +ATOM 231 CB ARG A 16 6.089 -0.273 -3.662 1.00 0.00 C +ATOM 232 CG ARG A 16 4.953 -1.164 -3.120 1.00 0.00 C +ATOM 233 CD ARG A 16 3.733 -1.249 -4.050 1.00 0.00 C +ATOM 234 NE ARG A 16 4.008 -2.020 -5.278 1.00 0.00 N +ATOM 235 CZ ARG A 16 4.304 -1.553 -6.487 1.00 0.00 C +ATOM 236 NH1 ARG A 16 4.332 -0.266 -6.751 1.00 0.00 N +ATOM 237 NH2 ARG A 16 4.584 -2.382 -7.463 1.00 0.00 N +ATOM 238 H ARG A 16 7.380 -2.207 -2.502 1.00 0.00 H +ATOM 239 HA ARG A 16 8.042 0.496 -3.233 1.00 0.00 H +ATOM 240 HB2 ARG A 16 5.672 0.686 -3.902 1.00 0.00 H +ATOM 241 HB3 ARG A 16 6.479 -0.726 -4.575 1.00 0.00 H +ATOM 242 HG2 ARG A 16 5.339 -2.155 -2.977 1.00 0.00 H +ATOM 243 HG3 ARG A 16 4.607 -0.763 -2.173 1.00 0.00 H +ATOM 244 HD2 ARG A 16 2.929 -1.722 -3.520 1.00 0.00 H +ATOM 245 HD3 ARG A 16 3.380 -0.245 -4.284 1.00 0.00 H +ATOM 246 HE ARG A 16 3.860 -3.017 -5.208 1.00 0.00 H +ATOM 247 HH11 ARG A 16 4.070 0.367 -6.019 1.00 0.00 H +ATOM 248 HH12 ARG A 16 4.528 0.072 -7.675 1.00 0.00 H +ATOM 249 HH21 ARG A 16 4.555 -3.374 -7.290 1.00 0.00 H +ATOM 250 HH22 ARG A 16 4.810 -2.036 -8.376 1.00 0.00 H +ATOM 251 N PRO A 17 7.111 2.116 -1.447 1.00 0.00 N +ATOM 252 CA PRO A 17 6.730 2.992 -0.332 1.00 0.00 C +ATOM 253 C PRO A 17 5.203 3.215 -0.255 1.00 0.00 C +ATOM 254 O PRO A 17 4.512 3.033 -1.262 1.00 0.00 O +ATOM 255 CB PRO A 17 7.472 4.309 -0.592 1.00 0.00 C +ATOM 256 CG PRO A 17 7.586 4.354 -2.114 1.00 0.00 C +ATOM 257 CD PRO A 17 7.780 2.885 -2.487 1.00 0.00 C +ATOM 258 HA PRO A 17 7.081 2.557 0.604 1.00 0.00 H +ATOM 259 HB2 PRO A 17 6.910 5.146 -0.224 1.00 0.00 H +ATOM 260 HB3 PRO A 17 8.471 4.256 -0.155 1.00 0.00 H +ATOM 261 HG2 PRO A 17 6.692 4.750 -2.556 1.00 0.00 H +ATOM 262 HG3 PRO A 17 8.426 4.969 -2.440 1.00 0.00 H +ATOM 263 HD2 PRO A 17 7.339 2.682 -3.444 1.00 0.00 H +ATOM 264 HD3 PRO A 17 8.845 2.645 -2.487 1.00 0.00 H +ATOM 265 N PRO A 18 4.666 3.621 0.914 1.00 0.00 N +ATOM 266 CA PRO A 18 3.235 3.860 1.094 1.00 0.00 C +ATOM 267 C PRO A 18 2.748 5.165 0.425 1.00 0.00 C +ATOM 268 O PRO A 18 3.529 6.100 0.248 1.00 0.00 O +ATOM 269 CB PRO A 18 3.024 3.899 2.612 1.00 0.00 C +ATOM 270 CG PRO A 18 4.361 4.406 3.146 1.00 0.00 C +ATOM 271 CD PRO A 18 5.372 3.796 2.177 1.00 0.00 C +ATOM 272 HA PRO A 18 2.688 3.015 0.682 1.00 0.00 H +ATOM 273 HB2 PRO A 18 2.228 4.570 2.871 1.00 0.00 H +ATOM 274 HB3 PRO A 18 2.846 2.890 2.983 1.00 0.00 H +ATOM 275 HG2 PRO A 18 4.404 5.478 3.124 1.00 0.00 H +ATOM 276 HG3 PRO A 18 4.538 4.078 4.171 1.00 0.00 H +ATOM 277 HD2 PRO A 18 6.209 4.455 2.048 1.00 0.00 H +ATOM 278 HD3 PRO A 18 5.693 2.821 2.549 1.00 0.00 H +ATOM 279 N PRO A 19 1.443 5.263 0.091 1.00 0.00 N +ATOM 280 CA PRO A 19 0.813 6.446 -0.514 1.00 0.00 C +ATOM 281 C PRO A 19 0.366 7.514 0.505 1.00 0.00 C +ATOM 282 O PRO A 19 -0.168 8.563 0.135 1.00 0.00 O +ATOM 283 CB PRO A 19 -0.418 5.883 -1.228 1.00 0.00 C +ATOM 284 CG PRO A 19 -0.852 4.754 -0.291 1.00 0.00 C +ATOM 285 CD PRO A 19 0.481 4.171 0.160 1.00 0.00 C +ATOM 286 HA PRO A 19 1.483 6.910 -1.240 1.00 0.00 H +ATOM 287 HB2 PRO A 19 -1.186 6.626 -1.322 1.00 0.00 H +ATOM 288 HB3 PRO A 19 -0.127 5.468 -2.194 1.00 0.00 H +ATOM 289 HG2 PRO A 19 -1.411 5.134 0.542 1.00 0.00 H +ATOM 290 HG3 PRO A 19 -1.463 4.012 -0.801 1.00 0.00 H +ATOM 291 HD2 PRO A 19 0.406 3.804 1.165 1.00 0.00 H +ATOM 292 HD3 PRO A 19 0.786 3.388 -0.533 1.00 0.00 H +ATOM 293 N SER A 20 0.475 7.235 1.804 1.00 0.00 N +ATOM 294 CA SER A 20 0.117 8.121 2.917 1.00 0.00 C +ATOM 295 C SER A 20 0.951 7.740 4.134 1.00 0.00 C +ATOM 296 O SER A 20 1.145 6.518 4.316 1.00 0.00 O +ATOM 297 CB SER A 20 -1.376 8.004 3.229 1.00 0.00 C +ATOM 298 OG SER A 20 -2.078 8.526 2.113 1.00 0.00 O +ATOM 299 OXT SER A 20 1.384 8.682 4.830 1.00 0.00 O +ATOM 300 H SER A 20 0.881 6.355 2.097 1.00 0.00 H +ATOM 301 HA SER A 20 0.361 9.155 2.677 1.00 0.00 H +ATOM 302 HB2 SER A 20 -1.640 6.975 3.382 1.00 0.00 H +ATOM 303 HB3 SER A 20 -1.610 8.576 4.131 1.00 0.00 H +ATOM 304 HG SER A 20 -1.383 8.683 1.436 1.00 0.00 H +TER 305 SER A 20 +ENDMDL +MODEL 13 +ATOM 1 N ASN A 1 -7.908 6.785 -1.311 1.00 0.00 N +ATOM 2 CA ASN A 1 -7.019 6.327 -0.216 1.00 0.00 C +ATOM 3 C ASN A 1 -5.683 5.747 -0.661 1.00 0.00 C +ATOM 4 O ASN A 1 -4.708 6.050 0.013 1.00 0.00 O +ATOM 5 CB ASN A 1 -7.728 5.352 0.732 1.00 0.00 C +ATOM 6 CG ASN A 1 -8.620 6.137 1.676 1.00 0.00 C +ATOM 7 OD1 ASN A 1 -9.560 6.770 1.223 1.00 0.00 O +ATOM 8 ND2 ASN A 1 -8.313 6.173 2.959 1.00 0.00 N +ATOM 9 H1 ASN A 1 -7.434 7.466 -1.890 1.00 0.00 H +ATOM 10 H2 ASN A 1 -8.205 6.004 -1.879 1.00 0.00 H +ATOM 11 H3 ASN A 1 -8.733 7.210 -0.902 1.00 0.00 H +ATOM 12 HA ASN A 1 -6.754 7.204 0.378 1.00 0.00 H +ATOM 13 HB2 ASN A 1 -8.324 4.666 0.162 1.00 0.00 H +ATOM 14 HB3 ASN A 1 -6.996 4.787 1.311 1.00 0.00 H +ATOM 15 HD21 ASN A 1 -7.513 5.701 3.351 1.00 0.00 H +ATOM 16 HD22 ASN A 1 -8.923 6.730 3.536 1.00 0.00 H +ATOM 17 N LEU A 2 -5.615 4.880 -1.688 1.00 0.00 N +ATOM 18 CA LEU A 2 -4.406 4.163 -2.156 1.00 0.00 C +ATOM 19 C LEU A 2 -3.837 3.130 -1.158 1.00 0.00 C +ATOM 20 O LEU A 2 -3.364 2.071 -1.568 1.00 0.00 O +ATOM 21 CB LEU A 2 -3.322 5.161 -2.622 1.00 0.00 C +ATOM 22 CG LEU A 2 -3.769 6.069 -3.790 1.00 0.00 C +ATOM 23 CD1 LEU A 2 -3.562 7.551 -3.463 1.00 0.00 C +ATOM 24 CD2 LEU A 2 -3.001 5.730 -5.068 1.00 0.00 C +ATOM 25 H LEU A 2 -6.452 4.624 -2.189 1.00 0.00 H +ATOM 26 HA LEU A 2 -4.692 3.585 -3.037 1.00 0.00 H +ATOM 27 HB2 LEU A 2 -3.057 5.785 -1.790 1.00 0.00 H +ATOM 28 HB3 LEU A 2 -2.440 4.595 -2.923 1.00 0.00 H +ATOM 29 HG LEU A 2 -4.830 5.921 -3.991 1.00 0.00 H +ATOM 30 HD11 LEU A 2 -4.099 7.813 -2.552 1.00 0.00 H +ATOM 31 HD12 LEU A 2 -2.502 7.762 -3.318 1.00 0.00 H +ATOM 32 HD13 LEU A 2 -3.938 8.167 -4.281 1.00 0.00 H +ATOM 33 HD21 LEU A 2 -1.934 5.911 -4.924 1.00 0.00 H +ATOM 34 HD22 LEU A 2 -3.157 4.681 -5.323 1.00 0.00 H +ATOM 35 HD23 LEU A 2 -3.359 6.350 -5.889 1.00 0.00 H +ATOM 36 N TYR A 3 -3.941 3.391 0.150 1.00 0.00 N +ATOM 37 CA TYR A 3 -3.446 2.538 1.230 1.00 0.00 C +ATOM 38 C TYR A 3 -4.000 1.103 1.182 1.00 0.00 C +ATOM 39 O TYR A 3 -3.277 0.167 1.508 1.00 0.00 O +ATOM 40 CB TYR A 3 -3.738 3.210 2.583 1.00 0.00 C +ATOM 41 CG TYR A 3 -2.672 2.927 3.623 1.00 0.00 C +ATOM 42 CD1 TYR A 3 -2.765 1.788 4.444 1.00 0.00 C +ATOM 43 CD2 TYR A 3 -1.567 3.795 3.740 1.00 0.00 C +ATOM 44 CE1 TYR A 3 -1.751 1.512 5.382 1.00 0.00 C +ATOM 45 CE2 TYR A 3 -0.550 3.520 4.672 1.00 0.00 C +ATOM 46 CZ TYR A 3 -0.641 2.375 5.495 1.00 0.00 C +ATOM 47 OH TYR A 3 0.344 2.091 6.389 1.00 0.00 O +ATOM 48 H TYR A 3 -4.221 4.340 0.385 1.00 0.00 H +ATOM 49 HA TYR A 3 -2.363 2.475 1.122 1.00 0.00 H +ATOM 50 HB2 TYR A 3 -3.797 4.271 2.433 1.00 0.00 H +ATOM 51 HB3 TYR A 3 -4.711 2.883 2.955 1.00 0.00 H +ATOM 52 HD1 TYR A 3 -3.607 1.120 4.349 1.00 0.00 H +ATOM 53 HD2 TYR A 3 -1.493 4.677 3.117 1.00 0.00 H +ATOM 54 HE1 TYR A 3 -1.801 0.643 6.018 1.00 0.00 H +ATOM 55 HE2 TYR A 3 0.291 4.191 4.755 1.00 0.00 H +ATOM 56 HH TYR A 3 1.086 2.690 6.302 1.00 0.00 H +ATOM 57 N ILE A 4 -5.249 0.909 0.731 1.00 0.00 N +ATOM 58 CA ILE A 4 -5.862 -0.418 0.547 1.00 0.00 C +ATOM 59 C ILE A 4 -5.108 -1.223 -0.524 1.00 0.00 C +ATOM 60 O ILE A 4 -4.705 -2.359 -0.275 1.00 0.00 O +ATOM 61 CB ILE A 4 -7.371 -0.307 0.207 1.00 0.00 C +ATOM 62 CG1 ILE A 4 -8.145 0.575 1.218 1.00 0.00 C +ATOM 63 CG2 ILE A 4 -8.018 -1.702 0.164 1.00 0.00 C +ATOM 64 CD1 ILE A 4 -8.506 1.935 0.617 1.00 0.00 C +ATOM 65 H ILE A 4 -5.779 1.731 0.489 1.00 0.00 H +ATOM 66 HA ILE A 4 -5.769 -0.964 1.487 1.00 0.00 H +ATOM 67 HB ILE A 4 -7.472 0.126 -0.790 1.00 0.00 H +ATOM 68 HG12 ILE A 4 -9.048 0.069 1.502 1.00 0.00 H +ATOM 69 HG13 ILE A 4 -7.554 0.726 2.123 1.00 0.00 H +ATOM 70 HG21 ILE A 4 -7.562 -2.315 -0.613 1.00 0.00 H +ATOM 71 HG22 ILE A 4 -7.904 -2.200 1.127 1.00 0.00 H +ATOM 72 HG23 ILE A 4 -9.081 -1.610 -0.065 1.00 0.00 H +ATOM 73 HD11 ILE A 4 -7.611 2.423 0.233 1.00 0.00 H +ATOM 74 HD12 ILE A 4 -9.219 1.799 -0.198 1.00 0.00 H +ATOM 75 HD13 ILE A 4 -8.963 2.563 1.384 1.00 0.00 H +ATOM 76 N GLN A 5 -4.883 -0.627 -1.705 1.00 0.00 N +ATOM 77 CA GLN A 5 -4.097 -1.237 -2.779 1.00 0.00 C +ATOM 78 C GLN A 5 -2.654 -1.511 -2.339 1.00 0.00 C +ATOM 79 O GLN A 5 -2.134 -2.592 -2.614 1.00 0.00 O +ATOM 80 CB GLN A 5 -4.124 -0.349 -4.035 1.00 0.00 C +ATOM 81 CG GLN A 5 -5.446 -0.464 -4.826 1.00 0.00 C +ATOM 82 CD GLN A 5 -6.302 0.803 -4.886 1.00 0.00 C +ATOM 83 OE1 GLN A 5 -5.896 1.911 -4.564 1.00 0.00 O +ATOM 84 NE2 GLN A 5 -7.545 0.678 -5.313 1.00 0.00 N +ATOM 85 H GLN A 5 -5.163 0.337 -1.814 1.00 0.00 H +ATOM 86 HA GLN A 5 -4.533 -2.207 -3.026 1.00 0.00 H +ATOM 87 HB2 GLN A 5 -3.993 0.673 -3.735 1.00 0.00 H +ATOM 88 HB3 GLN A 5 -3.318 -0.674 -4.696 1.00 0.00 H +ATOM 89 HG2 GLN A 5 -5.203 -0.745 -5.833 1.00 0.00 H +ATOM 90 HG3 GLN A 5 -6.054 -1.268 -4.411 1.00 0.00 H +ATOM 91 HE21 GLN A 5 -7.934 -0.208 -5.587 1.00 0.00 H +ATOM 92 HE22 GLN A 5 -8.048 1.544 -5.402 1.00 0.00 H +ATOM 93 N TRP A 6 -2.027 -0.572 -1.618 1.00 0.00 N +ATOM 94 CA TRP A 6 -0.693 -0.764 -1.047 1.00 0.00 C +ATOM 95 C TRP A 6 -0.644 -1.917 -0.026 1.00 0.00 C +ATOM 96 O TRP A 6 0.231 -2.778 -0.111 1.00 0.00 O +ATOM 97 CB TRP A 6 -0.213 0.557 -0.443 1.00 0.00 C +ATOM 98 CG TRP A 6 1.169 0.505 0.124 1.00 0.00 C +ATOM 99 CD1 TRP A 6 2.314 0.542 -0.597 1.00 0.00 C +ATOM 100 CD2 TRP A 6 1.577 0.373 1.518 1.00 0.00 C +ATOM 101 NE1 TRP A 6 3.396 0.430 0.252 1.00 0.00 N +ATOM 102 CE2 TRP A 6 3.001 0.346 1.569 1.00 0.00 C +ATOM 103 CE3 TRP A 6 0.887 0.268 2.747 1.00 0.00 C +ATOM 104 CZ2 TRP A 6 3.712 0.258 2.772 1.00 0.00 C +ATOM 105 CZ3 TRP A 6 1.592 0.150 3.960 1.00 0.00 C +ATOM 106 CH2 TRP A 6 2.998 0.165 3.978 1.00 0.00 C +ATOM 107 H TRP A 6 -2.505 0.316 -1.478 1.00 0.00 H +ATOM 108 HA TRP A 6 -0.010 -1.033 -1.856 1.00 0.00 H +ATOM 109 HB2 TRP A 6 -0.234 1.306 -1.211 1.00 0.00 H +ATOM 110 HB3 TRP A 6 -0.898 0.860 0.348 1.00 0.00 H +ATOM 111 HD1 TRP A 6 2.368 0.630 -1.674 1.00 0.00 H +ATOM 112 HE1 TRP A 6 4.370 0.409 -0.063 1.00 0.00 H +ATOM 113 HE3 TRP A 6 -0.194 0.280 2.749 1.00 0.00 H +ATOM 114 HZ2 TRP A 6 4.792 0.247 2.758 1.00 0.00 H +ATOM 115 HZ3 TRP A 6 1.046 0.055 4.888 1.00 0.00 H +ATOM 116 HH2 TRP A 6 3.527 0.092 4.916 1.00 0.00 H +ATOM 117 N LEU A 7 -1.605 -2.000 0.907 1.00 0.00 N +ATOM 118 CA LEU A 7 -1.710 -3.134 1.832 1.00 0.00 C +ATOM 119 C LEU A 7 -1.929 -4.466 1.106 1.00 0.00 C +ATOM 120 O LEU A 7 -1.324 -5.461 1.502 1.00 0.00 O +ATOM 121 CB LEU A 7 -2.824 -2.903 2.868 1.00 0.00 C +ATOM 122 CG LEU A 7 -2.460 -1.924 4.000 1.00 0.00 C +ATOM 123 CD1 LEU A 7 -3.711 -1.690 4.853 1.00 0.00 C +ATOM 124 CD2 LEU A 7 -1.353 -2.460 4.918 1.00 0.00 C +ATOM 125 H LEU A 7 -2.291 -1.251 0.973 1.00 0.00 H +ATOM 126 HA LEU A 7 -0.757 -3.234 2.349 1.00 0.00 H +ATOM 127 HB2 LEU A 7 -3.682 -2.515 2.354 1.00 0.00 H +ATOM 128 HB3 LEU A 7 -3.076 -3.862 3.324 1.00 0.00 H +ATOM 129 HG LEU A 7 -2.134 -0.976 3.579 1.00 0.00 H +ATOM 130 HD11 LEU A 7 -4.496 -1.248 4.240 1.00 0.00 H +ATOM 131 HD12 LEU A 7 -4.067 -2.637 5.262 1.00 0.00 H +ATOM 132 HD13 LEU A 7 -3.483 -1.016 5.677 1.00 0.00 H +ATOM 133 HD21 LEU A 7 -1.664 -3.401 5.371 1.00 0.00 H +ATOM 134 HD22 LEU A 7 -0.433 -2.614 4.360 1.00 0.00 H +ATOM 135 HD23 LEU A 7 -1.147 -1.735 5.706 1.00 0.00 H +ATOM 136 N LYS A 8 -2.718 -4.492 0.018 1.00 0.00 N +ATOM 137 CA LYS A 8 -2.894 -5.686 -0.829 1.00 0.00 C +ATOM 138 C LYS A 8 -1.564 -6.220 -1.379 1.00 0.00 C +ATOM 139 O LYS A 8 -1.459 -7.409 -1.665 1.00 0.00 O +ATOM 140 CB LYS A 8 -3.864 -5.370 -1.980 1.00 0.00 C +ATOM 141 CG LYS A 8 -4.388 -6.622 -2.718 1.00 0.00 C +ATOM 142 CD LYS A 8 -4.505 -6.437 -4.242 1.00 0.00 C +ATOM 143 CE LYS A 8 -3.209 -6.745 -5.018 1.00 0.00 C +ATOM 144 NZ LYS A 8 -2.118 -5.779 -4.739 1.00 0.00 N +ATOM 145 H LYS A 8 -3.231 -3.643 -0.211 1.00 0.00 H +ATOM 146 HA LYS A 8 -3.325 -6.477 -0.214 1.00 0.00 H +ATOM 147 HB2 LYS A 8 -4.705 -4.839 -1.577 1.00 0.00 H +ATOM 148 HB3 LYS A 8 -3.360 -4.716 -2.685 1.00 0.00 H +ATOM 149 HG2 LYS A 8 -3.715 -7.435 -2.526 1.00 0.00 H +ATOM 150 HG3 LYS A 8 -5.377 -6.849 -2.317 1.00 0.00 H +ATOM 151 HD2 LYS A 8 -5.276 -7.091 -4.602 1.00 0.00 H +ATOM 152 HD3 LYS A 8 -4.855 -5.430 -4.471 1.00 0.00 H +ATOM 153 HE2 LYS A 8 -2.873 -7.727 -4.745 1.00 0.00 H +ATOM 154 HE3 LYS A 8 -3.446 -6.733 -6.086 1.00 0.00 H +ATOM 155 HZ1 LYS A 8 -2.396 -4.819 -4.880 1.00 0.00 H +ATOM 156 HZ2 LYS A 8 -1.774 -5.854 -3.793 1.00 0.00 H +ATOM 157 HZ3 LYS A 8 -1.282 -5.906 -5.304 1.00 0.00 H +ATOM 158 N ASP A 9 -0.551 -5.368 -1.570 1.00 0.00 N +ATOM 159 CA ASP A 9 0.787 -5.808 -1.980 1.00 0.00 C +ATOM 160 C ASP A 9 1.595 -6.452 -0.830 1.00 0.00 C +ATOM 161 O ASP A 9 2.685 -6.970 -1.090 1.00 0.00 O +ATOM 162 CB ASP A 9 1.594 -4.630 -2.566 1.00 0.00 C +ATOM 163 CG ASP A 9 0.973 -3.926 -3.776 1.00 0.00 C +ATOM 164 OD1 ASP A 9 0.255 -4.603 -4.551 1.00 0.00 O +ATOM 165 OD2 ASP A 9 1.306 -2.727 -3.970 1.00 0.00 O +ATOM 166 H ASP A 9 -0.687 -4.388 -1.343 1.00 0.00 H +ATOM 167 HA ASP A 9 0.689 -6.562 -2.762 1.00 0.00 H +ATOM 168 HB2 ASP A 9 1.719 -3.900 -1.790 1.00 0.00 H +ATOM 169 HB3 ASP A 9 2.559 -5.017 -2.894 1.00 0.00 H +ATOM 170 N GLY A 10 1.155 -6.367 0.440 1.00 0.00 N +ATOM 171 CA GLY A 10 1.920 -6.800 1.627 1.00 0.00 C +ATOM 172 C GLY A 10 2.495 -5.666 2.504 1.00 0.00 C +ATOM 173 O GLY A 10 3.323 -5.931 3.387 1.00 0.00 O +ATOM 174 H GLY A 10 0.231 -5.972 0.604 1.00 0.00 H +ATOM 175 HA2 GLY A 10 1.260 -7.399 2.254 1.00 0.00 H +ATOM 176 HA3 GLY A 10 2.750 -7.439 1.326 1.00 0.00 H +ATOM 177 N GLY A 11 2.078 -4.413 2.271 1.00 0.00 N +ATOM 178 CA GLY A 11 2.452 -3.248 3.072 1.00 0.00 C +ATOM 179 C GLY A 11 3.971 -2.986 3.103 1.00 0.00 C +ATOM 180 O GLY A 11 4.593 -2.901 2.043 1.00 0.00 O +ATOM 181 H GLY A 11 1.509 -4.255 1.448 1.00 0.00 H +ATOM 182 HA2 GLY A 11 1.968 -2.368 2.650 1.00 0.00 H +ATOM 183 HA3 GLY A 11 2.064 -3.396 4.078 1.00 0.00 H +ATOM 184 N PRO A 12 4.608 -2.840 4.289 1.00 0.00 N +ATOM 185 CA PRO A 12 6.049 -2.569 4.388 1.00 0.00 C +ATOM 186 C PRO A 12 6.947 -3.622 3.719 1.00 0.00 C +ATOM 187 O PRO A 12 8.100 -3.334 3.404 1.00 0.00 O +ATOM 188 CB PRO A 12 6.365 -2.497 5.887 1.00 0.00 C +ATOM 189 CG PRO A 12 5.019 -2.212 6.546 1.00 0.00 C +ATOM 190 CD PRO A 12 4.017 -2.897 5.618 1.00 0.00 C +ATOM 191 HA PRO A 12 6.252 -1.600 3.932 1.00 0.00 H +ATOM 192 HB2 PRO A 12 6.768 -3.428 6.235 1.00 0.00 H +ATOM 193 HB3 PRO A 12 7.091 -1.712 6.104 1.00 0.00 H +ATOM 194 HG2 PRO A 12 4.978 -2.632 7.532 1.00 0.00 H +ATOM 195 HG3 PRO A 12 4.836 -1.136 6.553 1.00 0.00 H +ATOM 196 HD2 PRO A 12 3.866 -3.916 5.917 1.00 0.00 H +ATOM 197 HD3 PRO A 12 3.061 -2.377 5.665 1.00 0.00 H +ATOM 198 N SER A 13 6.430 -4.838 3.502 1.00 0.00 N +ATOM 199 CA SER A 13 7.167 -5.968 2.930 1.00 0.00 C +ATOM 200 C SER A 13 7.113 -6.043 1.392 1.00 0.00 C +ATOM 201 O SER A 13 7.652 -6.980 0.805 1.00 0.00 O +ATOM 202 CB SER A 13 6.723 -7.269 3.614 1.00 0.00 C +ATOM 203 OG SER A 13 5.376 -7.634 3.349 1.00 0.00 O +ATOM 204 H SER A 13 5.454 -4.968 3.734 1.00 0.00 H +ATOM 205 HA SER A 13 8.222 -5.839 3.177 1.00 0.00 H +ATOM 206 HB2 SER A 13 7.360 -8.063 3.274 1.00 0.00 H +ATOM 207 HB3 SER A 13 6.865 -7.162 4.691 1.00 0.00 H +ATOM 208 HG SER A 13 4.737 -6.918 3.537 1.00 0.00 H +ATOM 209 N SER A 14 6.508 -5.047 0.733 1.00 0.00 N +ATOM 210 CA SER A 14 6.226 -5.028 -0.713 1.00 0.00 C +ATOM 211 C SER A 14 7.223 -4.235 -1.564 1.00 0.00 C +ATOM 212 O SER A 14 7.035 -4.116 -2.774 1.00 0.00 O +ATOM 213 CB SER A 14 4.854 -4.397 -0.935 1.00 0.00 C +ATOM 214 OG SER A 14 3.928 -5.006 -0.081 1.00 0.00 O +ATOM 215 H SER A 14 6.017 -4.350 1.287 1.00 0.00 H +ATOM 216 HA SER A 14 6.196 -6.052 -1.088 1.00 0.00 H +ATOM 217 HB2 SER A 14 4.903 -3.346 -0.722 1.00 0.00 H +ATOM 218 HB3 SER A 14 4.546 -4.527 -1.971 1.00 0.00 H +ATOM 219 HG SER A 14 3.589 -5.837 -0.501 1.00 0.00 H +ATOM 220 N GLY A 15 8.236 -3.613 -0.954 1.00 0.00 N +ATOM 221 CA GLY A 15 9.241 -2.785 -1.634 1.00 0.00 C +ATOM 222 C GLY A 15 8.755 -1.388 -2.056 1.00 0.00 C +ATOM 223 O GLY A 15 9.534 -0.439 -2.013 1.00 0.00 O +ATOM 224 H GLY A 15 8.306 -3.739 0.046 1.00 0.00 H +ATOM 225 HA2 GLY A 15 10.102 -2.664 -0.978 1.00 0.00 H +ATOM 226 HA3 GLY A 15 9.576 -3.308 -2.531 1.00 0.00 H +ATOM 227 N ARG A 16 7.484 -1.243 -2.458 1.00 0.00 N +ATOM 228 CA ARG A 16 6.866 0.043 -2.822 1.00 0.00 C +ATOM 229 C ARG A 16 6.607 0.907 -1.567 1.00 0.00 C +ATOM 230 O ARG A 16 6.048 0.385 -0.598 1.00 0.00 O +ATOM 231 CB ARG A 16 5.566 -0.231 -3.600 1.00 0.00 C +ATOM 232 CG ARG A 16 5.057 1.011 -4.351 1.00 0.00 C +ATOM 233 CD ARG A 16 3.793 0.732 -5.180 1.00 0.00 C +ATOM 234 NE ARG A 16 4.079 -0.101 -6.363 1.00 0.00 N +ATOM 235 CZ ARG A 16 3.877 -1.406 -6.533 1.00 0.00 C +ATOM 236 NH1 ARG A 16 3.266 -2.191 -5.676 1.00 0.00 N +ATOM 237 NH2 ARG A 16 4.308 -1.979 -7.632 1.00 0.00 N +ATOM 238 H ARG A 16 6.937 -2.095 -2.518 1.00 0.00 H +ATOM 239 HA ARG A 16 7.569 0.558 -3.476 1.00 0.00 H +ATOM 240 HB2 ARG A 16 5.749 -1.013 -4.312 1.00 0.00 H +ATOM 241 HB3 ARG A 16 4.793 -0.580 -2.914 1.00 0.00 H +ATOM 242 HG2 ARG A 16 4.834 1.777 -3.634 1.00 0.00 H +ATOM 243 HG3 ARG A 16 5.843 1.374 -5.018 1.00 0.00 H +ATOM 244 HD2 ARG A 16 3.079 0.222 -4.562 1.00 0.00 H +ATOM 245 HD3 ARG A 16 3.407 1.693 -5.529 1.00 0.00 H +ATOM 246 HE ARG A 16 4.530 0.371 -7.128 1.00 0.00 H +ATOM 247 HH11 ARG A 16 2.673 -1.883 -4.893 1.00 0.00 H +ATOM 248 HH12 ARG A 16 3.162 -3.167 -5.861 1.00 0.00 H +ATOM 249 HH21 ARG A 16 4.765 -1.448 -8.350 1.00 0.00 H +ATOM 250 HH22 ARG A 16 4.157 -2.963 -7.759 1.00 0.00 H +ATOM 251 N PRO A 17 6.947 2.213 -1.560 1.00 0.00 N +ATOM 252 CA PRO A 17 6.730 3.085 -0.400 1.00 0.00 C +ATOM 253 C PRO A 17 5.232 3.312 -0.095 1.00 0.00 C +ATOM 254 O PRO A 17 4.400 3.172 -0.996 1.00 0.00 O +ATOM 255 CB PRO A 17 7.438 4.403 -0.744 1.00 0.00 C +ATOM 256 CG PRO A 17 7.414 4.433 -2.270 1.00 0.00 C +ATOM 257 CD PRO A 17 7.583 2.961 -2.635 1.00 0.00 C +ATOM 258 HA PRO A 17 7.208 2.638 0.471 1.00 0.00 H +ATOM 259 HB2 PRO A 17 6.907 5.241 -0.336 1.00 0.00 H +ATOM 260 HB3 PRO A 17 8.472 4.360 -0.399 1.00 0.00 H +ATOM 261 HG2 PRO A 17 6.481 4.818 -2.635 1.00 0.00 H +ATOM 262 HG3 PRO A 17 8.216 5.048 -2.679 1.00 0.00 H +ATOM 263 HD2 PRO A 17 7.104 2.750 -3.572 1.00 0.00 H +ATOM 264 HD3 PRO A 17 8.643 2.709 -2.673 1.00 0.00 H +ATOM 265 N PRO A 18 4.878 3.687 1.151 1.00 0.00 N +ATOM 266 CA PRO A 18 3.495 3.929 1.554 1.00 0.00 C +ATOM 267 C PRO A 18 2.938 5.209 0.903 1.00 0.00 C +ATOM 268 O PRO A 18 3.617 6.239 0.913 1.00 0.00 O +ATOM 269 CB PRO A 18 3.524 4.048 3.081 1.00 0.00 C +ATOM 270 CG PRO A 18 4.937 4.549 3.376 1.00 0.00 C +ATOM 271 CD PRO A 18 5.775 3.886 2.283 1.00 0.00 C +ATOM 272 HA PRO A 18 2.889 3.069 1.280 1.00 0.00 H +ATOM 273 HB2 PRO A 18 2.789 4.750 3.425 1.00 0.00 H +ATOM 274 HB3 PRO A 18 3.390 3.061 3.527 1.00 0.00 H +ATOM 275 HG2 PRO A 18 4.989 5.618 3.306 1.00 0.00 H +ATOM 276 HG3 PRO A 18 5.272 4.261 4.373 1.00 0.00 H +ATOM 277 HD2 PRO A 18 6.593 4.522 2.003 1.00 0.00 H +ATOM 278 HD3 PRO A 18 6.135 2.918 2.635 1.00 0.00 H +ATOM 279 N PRO A 19 1.706 5.185 0.359 1.00 0.00 N +ATOM 280 CA PRO A 19 1.071 6.373 -0.198 1.00 0.00 C +ATOM 281 C PRO A 19 0.534 7.279 0.922 1.00 0.00 C +ATOM 282 O PRO A 19 0.005 6.793 1.925 1.00 0.00 O +ATOM 283 CB PRO A 19 -0.043 5.831 -1.093 1.00 0.00 C +ATOM 284 CG PRO A 19 -0.475 4.546 -0.383 1.00 0.00 C +ATOM 285 CD PRO A 19 0.817 4.036 0.254 1.00 0.00 C +ATOM 286 HA PRO A 19 1.785 6.932 -0.806 1.00 0.00 H +ATOM 287 HB2 PRO A 19 -0.857 6.527 -1.157 1.00 0.00 H +ATOM 288 HB3 PRO A 19 0.371 5.580 -2.071 1.00 0.00 H +ATOM 289 HG2 PRO A 19 -1.216 4.752 0.365 1.00 0.00 H +ATOM 290 HG3 PRO A 19 -0.885 3.819 -1.084 1.00 0.00 H +ATOM 291 HD2 PRO A 19 0.616 3.632 1.228 1.00 0.00 H +ATOM 292 HD3 PRO A 19 1.276 3.286 -0.389 1.00 0.00 H +ATOM 293 N SER A 20 0.660 8.597 0.722 1.00 0.00 N +ATOM 294 CA SER A 20 0.150 9.654 1.607 1.00 0.00 C +ATOM 295 C SER A 20 -1.110 10.284 1.016 1.00 0.00 C +ATOM 296 O SER A 20 -2.094 10.380 1.786 1.00 0.00 O +ATOM 297 CB SER A 20 1.248 10.701 1.823 1.00 0.00 C +ATOM 298 OG SER A 20 0.910 11.534 2.908 1.00 0.00 O +ATOM 299 OXT SER A 20 -1.067 10.639 -0.179 1.00 0.00 O +ATOM 300 H SER A 20 1.051 8.910 -0.152 1.00 0.00 H +ATOM 301 HA SER A 20 -0.125 9.214 2.563 1.00 0.00 H +ATOM 302 HB2 SER A 20 2.177 10.205 2.031 1.00 0.00 H +ATOM 303 HB3 SER A 20 1.371 11.300 0.918 1.00 0.00 H +ATOM 304 HG SER A 20 0.272 11.069 3.455 1.00 0.00 H +TER 305 SER A 20 +ENDMDL +MODEL 14 +ATOM 1 N ASN A 1 -6.401 7.662 -1.132 1.00 0.00 N +ATOM 2 CA ASN A 1 -7.275 6.470 -1.269 1.00 0.00 C +ATOM 3 C ASN A 1 -6.573 5.259 -1.924 1.00 0.00 C +ATOM 4 O ASN A 1 -7.244 4.408 -2.495 1.00 0.00 O +ATOM 5 CB ASN A 1 -8.588 6.852 -1.993 1.00 0.00 C +ATOM 6 CG ASN A 1 -9.793 6.163 -1.354 1.00 0.00 C +ATOM 7 OD1 ASN A 1 -9.671 5.136 -0.706 1.00 0.00 O +ATOM 8 ND2 ASN A 1 -10.977 6.741 -1.450 1.00 0.00 N +ATOM 9 H1 ASN A 1 -5.636 7.473 -0.499 1.00 0.00 H +ATOM 10 H2 ASN A 1 -6.040 7.938 -2.035 1.00 0.00 H +ATOM 11 H3 ASN A 1 -6.938 8.429 -0.749 1.00 0.00 H +ATOM 12 HA ASN A 1 -7.560 6.149 -0.264 1.00 0.00 H +ATOM 13 HB2 ASN A 1 -8.722 7.915 -1.937 1.00 0.00 H +ATOM 14 HB3 ASN A 1 -8.537 6.586 -3.050 1.00 0.00 H +ATOM 15 HD21 ASN A 1 -11.144 7.601 -1.945 1.00 0.00 H +ATOM 16 HD22 ASN A 1 -11.719 6.237 -0.991 1.00 0.00 H +ATOM 17 N LEU A 2 -5.236 5.147 -1.843 1.00 0.00 N +ATOM 18 CA LEU A 2 -4.460 4.057 -2.472 1.00 0.00 C +ATOM 19 C LEU A 2 -3.853 3.067 -1.460 1.00 0.00 C +ATOM 20 O LEU A 2 -3.274 2.048 -1.840 1.00 0.00 O +ATOM 21 CB LEU A 2 -3.389 4.680 -3.399 1.00 0.00 C +ATOM 22 CG LEU A 2 -3.705 4.592 -4.905 1.00 0.00 C +ATOM 23 CD1 LEU A 2 -3.639 3.147 -5.409 1.00 0.00 C +ATOM 24 CD2 LEU A 2 -5.061 5.208 -5.270 1.00 0.00 C +ATOM 25 H LEU A 2 -4.672 5.849 -1.391 1.00 0.00 H +ATOM 26 HA LEU A 2 -5.127 3.449 -3.079 1.00 0.00 H +ATOM 27 HB2 LEU A 2 -3.286 5.716 -3.140 1.00 0.00 H +ATOM 28 HB3 LEU A 2 -2.429 4.188 -3.232 1.00 0.00 H +ATOM 29 HG LEU A 2 -2.935 5.159 -5.430 1.00 0.00 H +ATOM 30 HD11 LEU A 2 -2.666 2.717 -5.172 1.00 0.00 H +ATOM 31 HD12 LEU A 2 -4.417 2.537 -4.955 1.00 0.00 H +ATOM 32 HD13 LEU A 2 -3.774 3.127 -6.492 1.00 0.00 H +ATOM 33 HD21 LEU A 2 -5.877 4.592 -4.894 1.00 0.00 H +ATOM 34 HD22 LEU A 2 -5.138 6.211 -4.856 1.00 0.00 H +ATOM 35 HD23 LEU A 2 -5.148 5.268 -6.356 1.00 0.00 H +ATOM 36 N TYR A 3 -4.027 3.341 -0.163 1.00 0.00 N +ATOM 37 CA TYR A 3 -3.458 2.567 0.937 1.00 0.00 C +ATOM 38 C TYR A 3 -3.944 1.109 0.964 1.00 0.00 C +ATOM 39 O TYR A 3 -3.174 0.216 1.296 1.00 0.00 O +ATOM 40 CB TYR A 3 -3.759 3.287 2.260 1.00 0.00 C +ATOM 41 CG TYR A 3 -2.564 3.330 3.186 1.00 0.00 C +ATOM 42 CD1 TYR A 3 -2.297 2.234 4.021 1.00 0.00 C +ATOM 43 CD2 TYR A 3 -1.713 4.454 3.196 1.00 0.00 C +ATOM 44 CE1 TYR A 3 -1.182 2.255 4.876 1.00 0.00 C +ATOM 45 CE2 TYR A 3 -0.605 4.489 4.064 1.00 0.00 C +ATOM 46 CZ TYR A 3 -0.339 3.386 4.907 1.00 0.00 C +ATOM 47 OH TYR A 3 0.697 3.407 5.788 1.00 0.00 O +ATOM 48 H TYR A 3 -4.543 4.171 0.073 1.00 0.00 H +ATOM 49 HA TYR A 3 -2.375 2.545 0.801 1.00 0.00 H +ATOM 50 HB2 TYR A 3 -4.061 4.293 2.042 1.00 0.00 H +ATOM 51 HB3 TYR A 3 -4.593 2.797 2.766 1.00 0.00 H +ATOM 52 HD1 TYR A 3 -2.954 1.378 4.007 1.00 0.00 H +ATOM 53 HD2 TYR A 3 -1.904 5.298 2.546 1.00 0.00 H +ATOM 54 HE1 TYR A 3 -0.969 1.423 5.532 1.00 0.00 H +ATOM 55 HE2 TYR A 3 0.032 5.362 4.078 1.00 0.00 H +ATOM 56 HH TYR A 3 0.695 4.212 6.308 1.00 0.00 H +ATOM 57 N ILE A 4 -5.199 0.862 0.556 1.00 0.00 N +ATOM 58 CA ILE A 4 -5.795 -0.478 0.440 1.00 0.00 C +ATOM 59 C ILE A 4 -4.969 -1.337 -0.529 1.00 0.00 C +ATOM 60 O ILE A 4 -4.571 -2.450 -0.193 1.00 0.00 O +ATOM 61 CB ILE A 4 -7.277 -0.384 -0.008 1.00 0.00 C +ATOM 62 CG1 ILE A 4 -8.120 0.501 0.945 1.00 0.00 C +ATOM 63 CG2 ILE A 4 -7.894 -1.795 -0.096 1.00 0.00 C +ATOM 64 CD1 ILE A 4 -9.475 0.918 0.356 1.00 0.00 C +ATOM 65 H ILE A 4 -5.761 1.657 0.298 1.00 0.00 H +ATOM 66 HA ILE A 4 -5.759 -0.960 1.418 1.00 0.00 H +ATOM 67 HB ILE A 4 -7.306 0.064 -1.002 1.00 0.00 H +ATOM 68 HG12 ILE A 4 -8.297 -0.048 1.850 1.00 0.00 H +ATOM 69 HG13 ILE A 4 -7.586 1.423 1.167 1.00 0.00 H +ATOM 70 HG21 ILE A 4 -7.385 -2.392 -0.852 1.00 0.00 H +ATOM 71 HG22 ILE A 4 -7.817 -2.302 0.867 1.00 0.00 H +ATOM 72 HG23 ILE A 4 -8.945 -1.739 -0.379 1.00 0.00 H +ATOM 73 HD11 ILE A 4 -9.330 1.364 -0.631 1.00 0.00 H +ATOM 74 HD12 ILE A 4 -10.141 0.060 0.274 1.00 0.00 H +ATOM 75 HD13 ILE A 4 -9.939 1.657 1.008 1.00 0.00 H +ATOM 76 N GLN A 5 -4.685 -0.803 -1.722 1.00 0.00 N +ATOM 77 CA GLN A 5 -3.904 -1.463 -2.769 1.00 0.00 C +ATOM 78 C GLN A 5 -2.453 -1.702 -2.326 1.00 0.00 C +ATOM 79 O GLN A 5 -1.920 -2.790 -2.539 1.00 0.00 O +ATOM 80 CB GLN A 5 -3.995 -0.617 -4.058 1.00 0.00 C +ATOM 81 CG GLN A 5 -4.421 -1.431 -5.294 1.00 0.00 C +ATOM 82 CD GLN A 5 -5.350 -0.621 -6.194 1.00 0.00 C +ATOM 83 OE1 GLN A 5 -4.942 0.305 -6.876 1.00 0.00 O +ATOM 84 NE2 GLN A 5 -6.636 -0.921 -6.208 1.00 0.00 N +ATOM 85 H GLN A 5 -4.991 0.144 -1.894 1.00 0.00 H +ATOM 86 HA GLN A 5 -4.348 -2.442 -2.942 1.00 0.00 H +ATOM 87 HB2 GLN A 5 -4.713 0.165 -3.902 1.00 0.00 H +ATOM 88 HB3 GLN A 5 -3.039 -0.132 -4.264 1.00 0.00 H +ATOM 89 HG2 GLN A 5 -3.546 -1.706 -5.851 1.00 0.00 H +ATOM 90 HG3 GLN A 5 -4.941 -2.342 -4.994 1.00 0.00 H +ATOM 91 HE21 GLN A 5 -7.025 -1.675 -5.669 1.00 0.00 H +ATOM 92 HE22 GLN A 5 -7.188 -0.340 -6.815 1.00 0.00 H +ATOM 93 N TRP A 6 -1.834 -0.719 -1.658 1.00 0.00 N +ATOM 94 CA TRP A 6 -0.498 -0.859 -1.070 1.00 0.00 C +ATOM 95 C TRP A 6 -0.433 -1.932 0.032 1.00 0.00 C +ATOM 96 O TRP A 6 0.497 -2.744 0.055 1.00 0.00 O +ATOM 97 CB TRP A 6 -0.042 0.505 -0.544 1.00 0.00 C +ATOM 98 CG TRP A 6 1.340 0.516 0.026 1.00 0.00 C +ATOM 99 CD1 TRP A 6 2.480 0.543 -0.699 1.00 0.00 C +ATOM 100 CD2 TRP A 6 1.754 0.502 1.428 1.00 0.00 C +ATOM 101 NE1 TRP A 6 3.565 0.518 0.155 1.00 0.00 N +ATOM 102 CE2 TRP A 6 3.179 0.507 1.471 1.00 0.00 C +ATOM 103 CE3 TRP A 6 1.081 0.494 2.669 1.00 0.00 C +ATOM 104 CZ2 TRP A 6 3.905 0.515 2.669 1.00 0.00 C +ATOM 105 CZ3 TRP A 6 1.798 0.487 3.882 1.00 0.00 C +ATOM 106 CH2 TRP A 6 3.205 0.501 3.885 1.00 0.00 C +ATOM 107 H TRP A 6 -2.329 0.162 -1.554 1.00 0.00 H +ATOM 108 HA TRP A 6 0.193 -1.170 -1.855 1.00 0.00 H +ATOM 109 HB2 TRP A 6 -0.076 1.206 -1.355 1.00 0.00 H +ATOM 110 HB3 TRP A 6 -0.737 0.847 0.222 1.00 0.00 H +ATOM 111 HD1 TRP A 6 2.524 0.581 -1.779 1.00 0.00 H +ATOM 112 HE1 TRP A 6 4.549 0.548 -0.121 1.00 0.00 H +ATOM 113 HE3 TRP A 6 0.001 0.500 2.681 1.00 0.00 H +ATOM 114 HZ2 TRP A 6 4.985 0.520 2.640 1.00 0.00 H +ATOM 115 HZ3 TRP A 6 1.267 0.489 4.823 1.00 0.00 H +ATOM 116 HH2 TRP A 6 3.747 0.509 4.821 1.00 0.00 H +ATOM 117 N LEU A 7 -1.429 -1.970 0.928 1.00 0.00 N +ATOM 118 CA LEU A 7 -1.563 -3.019 1.940 1.00 0.00 C +ATOM 119 C LEU A 7 -1.832 -4.398 1.325 1.00 0.00 C +ATOM 120 O LEU A 7 -1.302 -5.380 1.840 1.00 0.00 O +ATOM 121 CB LEU A 7 -2.671 -2.661 2.946 1.00 0.00 C +ATOM 122 CG LEU A 7 -2.287 -1.567 3.960 1.00 0.00 C +ATOM 123 CD1 LEU A 7 -3.511 -1.233 4.821 1.00 0.00 C +ATOM 124 CD2 LEU A 7 -1.148 -1.999 4.892 1.00 0.00 C +ATOM 125 H LEU A 7 -2.136 -1.238 0.898 1.00 0.00 H +ATOM 126 HA LEU A 7 -0.618 -3.107 2.473 1.00 0.00 H +ATOM 127 HB2 LEU A 7 -3.527 -2.321 2.395 1.00 0.00 H +ATOM 128 HB3 LEU A 7 -2.940 -3.558 3.506 1.00 0.00 H +ATOM 129 HG LEU A 7 -1.976 -0.668 3.433 1.00 0.00 H +ATOM 130 HD11 LEU A 7 -4.316 -0.864 4.185 1.00 0.00 H +ATOM 131 HD12 LEU A 7 -3.850 -2.123 5.351 1.00 0.00 H +ATOM 132 HD13 LEU A 7 -3.257 -0.464 5.550 1.00 0.00 H +ATOM 133 HD21 LEU A 7 -1.377 -2.965 5.340 1.00 0.00 H +ATOM 134 HD22 LEU A 7 -0.217 -2.069 4.334 1.00 0.00 H +ATOM 135 HD23 LEU A 7 -1.013 -1.260 5.680 1.00 0.00 H +ATOM 136 N LYS A 8 -2.599 -4.488 0.226 1.00 0.00 N +ATOM 137 CA LYS A 8 -2.976 -5.755 -0.427 1.00 0.00 C +ATOM 138 C LYS A 8 -1.777 -6.638 -0.783 1.00 0.00 C +ATOM 139 O LYS A 8 -1.856 -7.858 -0.664 1.00 0.00 O +ATOM 140 CB LYS A 8 -3.803 -5.465 -1.696 1.00 0.00 C +ATOM 141 CG LYS A 8 -4.622 -6.677 -2.165 1.00 0.00 C +ATOM 142 CD LYS A 8 -5.863 -6.886 -1.280 1.00 0.00 C +ATOM 143 CE LYS A 8 -6.602 -8.185 -1.607 1.00 0.00 C +ATOM 144 NZ LYS A 8 -5.801 -9.379 -1.240 1.00 0.00 N +ATOM 145 H LYS A 8 -3.048 -3.631 -0.094 1.00 0.00 H +ATOM 146 HA LYS A 8 -3.571 -6.320 0.286 1.00 0.00 H +ATOM 147 HB2 LYS A 8 -4.477 -4.656 -1.488 1.00 0.00 H +ATOM 148 HB3 LYS A 8 -3.125 -5.174 -2.502 1.00 0.00 H +ATOM 149 HG2 LYS A 8 -4.937 -6.516 -3.178 1.00 0.00 H +ATOM 150 HG3 LYS A 8 -3.995 -7.568 -2.162 1.00 0.00 H +ATOM 151 HD2 LYS A 8 -5.553 -6.915 -0.253 1.00 0.00 H +ATOM 152 HD3 LYS A 8 -6.542 -6.046 -1.435 1.00 0.00 H +ATOM 153 HE2 LYS A 8 -7.527 -8.206 -1.063 1.00 0.00 H +ATOM 154 HE3 LYS A 8 -6.842 -8.200 -2.674 1.00 0.00 H +ATOM 155 HZ1 LYS A 8 -4.958 -9.420 -1.800 1.00 0.00 H +ATOM 156 HZ2 LYS A 8 -5.526 -9.332 -0.267 1.00 0.00 H +ATOM 157 HZ3 LYS A 8 -6.335 -10.225 -1.388 1.00 0.00 H +ATOM 158 N ASP A 9 -0.693 -6.000 -1.216 1.00 0.00 N +ATOM 159 CA ASP A 9 0.577 -6.608 -1.609 1.00 0.00 C +ATOM 160 C ASP A 9 1.501 -6.893 -0.404 1.00 0.00 C +ATOM 161 O ASP A 9 2.502 -7.590 -0.554 1.00 0.00 O +ATOM 162 CB ASP A 9 1.191 -5.620 -2.609 1.00 0.00 C +ATOM 163 CG ASP A 9 2.246 -6.195 -3.544 1.00 0.00 C +ATOM 164 OD1 ASP A 9 1.842 -6.848 -4.529 1.00 0.00 O +ATOM 165 OD2 ASP A 9 3.401 -5.726 -3.445 1.00 0.00 O +ATOM 166 H ASP A 9 -0.773 -4.997 -1.309 1.00 0.00 H +ATOM 167 HA ASP A 9 0.386 -7.552 -2.122 1.00 0.00 H +ATOM 168 HB2 ASP A 9 0.396 -5.225 -3.212 1.00 0.00 H +ATOM 169 HB3 ASP A 9 1.601 -4.770 -2.070 1.00 0.00 H +ATOM 170 N GLY A 10 1.138 -6.413 0.799 1.00 0.00 N +ATOM 171 CA GLY A 10 1.851 -6.634 2.059 1.00 0.00 C +ATOM 172 C GLY A 10 2.515 -5.385 2.659 1.00 0.00 C +ATOM 173 O GLY A 10 3.469 -5.523 3.433 1.00 0.00 O +ATOM 174 H GLY A 10 0.235 -5.953 0.859 1.00 0.00 H +ATOM 175 HA2 GLY A 10 1.135 -7.004 2.792 1.00 0.00 H +ATOM 176 HA3 GLY A 10 2.606 -7.406 1.922 1.00 0.00 H +ATOM 177 N GLY A 11 2.037 -4.182 2.311 1.00 0.00 N +ATOM 178 CA GLY A 11 2.491 -2.882 2.819 1.00 0.00 C +ATOM 179 C GLY A 11 4.020 -2.705 2.788 1.00 0.00 C +ATOM 180 O GLY A 11 4.574 -2.593 1.694 1.00 0.00 O +ATOM 181 H GLY A 11 1.318 -4.166 1.598 1.00 0.00 H +ATOM 182 HA2 GLY A 11 2.060 -2.105 2.191 1.00 0.00 H +ATOM 183 HA3 GLY A 11 2.102 -2.739 3.824 1.00 0.00 H +ATOM 184 N PRO A 12 4.730 -2.700 3.937 1.00 0.00 N +ATOM 185 CA PRO A 12 6.196 -2.624 3.971 1.00 0.00 C +ATOM 186 C PRO A 12 6.905 -3.715 3.153 1.00 0.00 C +ATOM 187 O PRO A 12 8.004 -3.490 2.653 1.00 0.00 O +ATOM 188 CB PRO A 12 6.587 -2.742 5.450 1.00 0.00 C +ATOM 189 CG PRO A 12 5.333 -2.306 6.202 1.00 0.00 C +ATOM 190 CD PRO A 12 4.199 -2.770 5.292 1.00 0.00 C +ATOM 191 HA PRO A 12 6.504 -1.647 3.594 1.00 0.00 H +ATOM 192 HB2 PRO A 12 6.846 -3.754 5.696 1.00 0.00 H +ATOM 193 HB3 PRO A 12 7.442 -2.107 5.689 1.00 0.00 H +ATOM 194 HG2 PRO A 12 5.275 -2.782 7.162 1.00 0.00 H +ATOM 195 HG3 PRO A 12 5.315 -1.219 6.283 1.00 0.00 H +ATOM 196 HD2 PRO A 12 3.915 -3.777 5.531 1.00 0.00 H +ATOM 197 HD3 PRO A 12 3.335 -2.119 5.426 1.00 0.00 H +ATOM 198 N SER A 13 6.277 -4.888 3.002 1.00 0.00 N +ATOM 199 CA SER A 13 6.825 -6.021 2.248 1.00 0.00 C +ATOM 200 C SER A 13 6.595 -5.934 0.728 1.00 0.00 C +ATOM 201 O SER A 13 7.075 -6.791 -0.007 1.00 0.00 O +ATOM 202 CB SER A 13 6.342 -7.350 2.853 1.00 0.00 C +ATOM 203 OG SER A 13 4.946 -7.537 2.785 1.00 0.00 O +ATOM 204 H SER A 13 5.343 -4.969 3.391 1.00 0.00 H +ATOM 205 HA SER A 13 7.908 -6.013 2.377 1.00 0.00 H +ATOM 206 HB2 SER A 13 6.816 -8.154 2.324 1.00 0.00 H +ATOM 207 HB3 SER A 13 6.647 -7.388 3.900 1.00 0.00 H +ATOM 208 HG SER A 13 4.461 -6.757 3.136 1.00 0.00 H +ATOM 209 N SER A 14 5.937 -4.870 0.241 1.00 0.00 N +ATOM 210 CA SER A 14 5.582 -4.659 -1.171 1.00 0.00 C +ATOM 211 C SER A 14 6.709 -4.075 -2.046 1.00 0.00 C +ATOM 212 O SER A 14 6.506 -3.867 -3.240 1.00 0.00 O +ATOM 213 CB SER A 14 4.394 -3.697 -1.249 1.00 0.00 C +ATOM 214 OG SER A 14 3.342 -4.095 -0.399 1.00 0.00 O +ATOM 215 H SER A 14 5.543 -4.204 0.899 1.00 0.00 H +ATOM 216 HA SER A 14 5.276 -5.613 -1.607 1.00 0.00 H +ATOM 217 HB2 SER A 14 4.721 -2.717 -0.961 1.00 0.00 H +ATOM 218 HB3 SER A 14 4.025 -3.661 -2.271 1.00 0.00 H +ATOM 219 HG SER A 14 2.975 -3.313 0.029 1.00 0.00 H +ATOM 220 N GLY A 15 7.873 -3.737 -1.470 1.00 0.00 N +ATOM 221 CA GLY A 15 8.999 -3.132 -2.201 1.00 0.00 C +ATOM 222 C GLY A 15 8.848 -1.633 -2.516 1.00 0.00 C +ATOM 223 O GLY A 15 9.535 -1.130 -3.401 1.00 0.00 O +ATOM 224 H GLY A 15 7.986 -3.973 -0.495 1.00 0.00 H +ATOM 225 HA2 GLY A 15 9.912 -3.262 -1.623 1.00 0.00 H +ATOM 226 HA3 GLY A 15 9.130 -3.657 -3.149 1.00 0.00 H +ATOM 227 N ARG A 16 7.939 -0.924 -1.830 1.00 0.00 N +ATOM 228 CA ARG A 16 7.559 0.475 -2.105 1.00 0.00 C +ATOM 229 C ARG A 16 7.032 1.175 -0.838 1.00 0.00 C +ATOM 230 O ARG A 16 6.351 0.518 -0.047 1.00 0.00 O +ATOM 231 CB ARG A 16 6.517 0.515 -3.247 1.00 0.00 C +ATOM 232 CG ARG A 16 5.357 -0.489 -3.097 1.00 0.00 C +ATOM 233 CD ARG A 16 4.496 -0.583 -4.360 1.00 0.00 C +ATOM 234 NE ARG A 16 3.700 -1.826 -4.349 1.00 0.00 N +ATOM 235 CZ ARG A 16 3.398 -2.606 -5.380 1.00 0.00 C +ATOM 236 NH1 ARG A 16 3.636 -2.252 -6.620 1.00 0.00 N +ATOM 237 NH2 ARG A 16 2.850 -3.774 -5.180 1.00 0.00 N +ATOM 238 H ARG A 16 7.441 -1.405 -1.093 1.00 0.00 H +ATOM 239 HA ARG A 16 8.452 1.000 -2.443 1.00 0.00 H +ATOM 240 HB2 ARG A 16 6.101 1.503 -3.285 1.00 0.00 H +ATOM 241 HB3 ARG A 16 7.040 0.296 -4.178 1.00 0.00 H +ATOM 242 HG2 ARG A 16 5.766 -1.458 -2.886 1.00 0.00 H +ATOM 243 HG3 ARG A 16 4.736 -0.217 -2.247 1.00 0.00 H +ATOM 244 HD2 ARG A 16 3.834 0.260 -4.400 1.00 0.00 H +ATOM 245 HD3 ARG A 16 5.162 -0.588 -5.225 1.00 0.00 H +ATOM 246 HE ARG A 16 3.410 -2.188 -3.456 1.00 0.00 H +ATOM 247 HH11 ARG A 16 4.099 -1.379 -6.787 1.00 0.00 H +ATOM 248 HH12 ARG A 16 3.425 -2.883 -7.370 1.00 0.00 H +ATOM 249 HH21 ARG A 16 3.013 -4.274 -4.292 1.00 0.00 H +ATOM 250 HH22 ARG A 16 2.589 -4.386 -5.930 1.00 0.00 H +ATOM 251 N PRO A 17 7.296 2.484 -0.642 1.00 0.00 N +ATOM 252 CA PRO A 17 6.862 3.230 0.546 1.00 0.00 C +ATOM 253 C PRO A 17 5.336 3.464 0.578 1.00 0.00 C +ATOM 254 O PRO A 17 4.676 3.310 -0.454 1.00 0.00 O +ATOM 255 CB PRO A 17 7.636 4.555 0.478 1.00 0.00 C +ATOM 256 CG PRO A 17 7.830 4.776 -1.020 1.00 0.00 C +ATOM 257 CD PRO A 17 8.034 3.357 -1.545 1.00 0.00 C +ATOM 258 HA PRO A 17 7.157 2.685 1.444 1.00 0.00 H +ATOM 259 HB2 PRO A 17 7.068 5.354 0.914 1.00 0.00 H +ATOM 260 HB3 PRO A 17 8.609 4.434 0.956 1.00 0.00 H +ATOM 261 HG2 PRO A 17 6.963 5.230 -1.460 1.00 0.00 H +ATOM 262 HG3 PRO A 17 8.689 5.414 -1.228 1.00 0.00 H +ATOM 263 HD2 PRO A 17 7.651 3.270 -2.543 1.00 0.00 H +ATOM 264 HD3 PRO A 17 9.094 3.104 -1.509 1.00 0.00 H +ATOM 265 N PRO A 18 4.762 3.851 1.737 1.00 0.00 N +ATOM 266 CA PRO A 18 3.324 4.085 1.879 1.00 0.00 C +ATOM 267 C PRO A 18 2.832 5.288 1.045 1.00 0.00 C +ATOM 268 O PRO A 18 3.507 6.319 1.003 1.00 0.00 O +ATOM 269 CB PRO A 18 3.085 4.299 3.378 1.00 0.00 C +ATOM 270 CG PRO A 18 4.437 4.766 3.908 1.00 0.00 C +ATOM 271 CD PRO A 18 5.429 4.018 3.023 1.00 0.00 C +ATOM 272 HA PRO A 18 2.803 3.182 1.576 1.00 0.00 H +ATOM 273 HB2 PRO A 18 2.333 5.047 3.541 1.00 0.00 H +ATOM 274 HB3 PRO A 18 2.823 3.348 3.843 1.00 0.00 H +ATOM 275 HG2 PRO A 18 4.548 5.828 3.800 1.00 0.00 H +ATOM 276 HG3 PRO A 18 4.568 4.519 4.962 1.00 0.00 H +ATOM 277 HD2 PRO A 18 6.330 4.589 2.906 1.00 0.00 H +ATOM 278 HD3 PRO A 18 5.634 3.036 3.452 1.00 0.00 H +ATOM 279 N PRO A 19 1.660 5.185 0.385 1.00 0.00 N +ATOM 280 CA PRO A 19 1.102 6.250 -0.443 1.00 0.00 C +ATOM 281 C PRO A 19 0.321 7.283 0.390 1.00 0.00 C +ATOM 282 O PRO A 19 -0.811 7.023 0.804 1.00 0.00 O +ATOM 283 CB PRO A 19 0.206 5.530 -1.455 1.00 0.00 C +ATOM 284 CG PRO A 19 -0.321 4.332 -0.664 1.00 0.00 C +ATOM 285 CD PRO A 19 0.850 3.979 0.253 1.00 0.00 C +ATOM 286 HA PRO A 19 1.900 6.759 -0.984 1.00 0.00 H +ATOM 287 HB2 PRO A 19 -0.598 6.163 -1.776 1.00 0.00 H +ATOM 288 HB3 PRO A 19 0.818 5.174 -2.286 1.00 0.00 H +ATOM 289 HG2 PRO A 19 -1.190 4.599 -0.094 1.00 0.00 H +ATOM 290 HG3 PRO A 19 -0.584 3.506 -1.323 1.00 0.00 H +ATOM 291 HD2 PRO A 19 0.487 3.671 1.214 1.00 0.00 H +ATOM 292 HD3 PRO A 19 1.451 3.202 -0.216 1.00 0.00 H +ATOM 293 N SER A 20 0.922 8.471 0.555 1.00 0.00 N +ATOM 294 CA SER A 20 0.386 9.673 1.224 1.00 0.00 C +ATOM 295 C SER A 20 0.416 9.627 2.763 1.00 0.00 C +ATOM 296 O SER A 20 1.001 8.684 3.339 1.00 0.00 O +ATOM 297 CB SER A 20 -1.018 10.026 0.706 1.00 0.00 C +ATOM 298 OG SER A 20 -1.373 11.233 1.334 1.00 0.00 O +ATOM 299 OXT SER A 20 -0.165 10.594 3.315 1.00 0.00 O +ATOM 300 H SER A 20 1.888 8.511 0.265 1.00 0.00 H +ATOM 301 HA SER A 20 1.034 10.508 0.958 1.00 0.00 H +ATOM 302 HB2 SER A 20 -1.001 10.151 -0.360 1.00 0.00 H +ATOM 303 HB3 SER A 20 -1.730 9.255 1.002 1.00 0.00 H +ATOM 304 HG SER A 20 -0.935 11.116 2.254 1.00 0.00 H +TER 305 SER A 20 +ENDMDL +MODEL 15 +ATOM 1 N ASN A 1 -5.555 8.004 -1.532 1.00 0.00 N +ATOM 2 CA ASN A 1 -6.571 6.932 -1.361 1.00 0.00 C +ATOM 3 C ASN A 1 -6.105 5.544 -1.850 1.00 0.00 C +ATOM 4 O ASN A 1 -6.936 4.715 -2.200 1.00 0.00 O +ATOM 5 CB ASN A 1 -7.897 7.340 -2.038 1.00 0.00 C +ATOM 6 CG ASN A 1 -9.071 6.615 -1.385 1.00 0.00 C +ATOM 7 OD1 ASN A 1 -9.297 6.771 -0.197 1.00 0.00 O +ATOM 8 ND2 ASN A 1 -9.821 5.802 -2.107 1.00 0.00 N +ATOM 9 H1 ASN A 1 -4.747 7.831 -0.949 1.00 0.00 H +ATOM 10 H2 ASN A 1 -5.271 8.069 -2.500 1.00 0.00 H +ATOM 11 H3 ASN A 1 -5.951 8.893 -1.252 1.00 0.00 H +ATOM 12 HA ASN A 1 -6.784 6.837 -0.294 1.00 0.00 H +ATOM 13 HB2 ASN A 1 -8.035 8.399 -1.937 1.00 0.00 H +ATOM 14 HB3 ASN A 1 -7.861 7.128 -3.108 1.00 0.00 H +ATOM 15 HD21 ASN A 1 -9.603 5.565 -3.060 1.00 0.00 H +ATOM 16 HD22 ASN A 1 -10.562 5.348 -1.598 1.00 0.00 H +ATOM 17 N LEU A 2 -4.794 5.254 -1.881 1.00 0.00 N +ATOM 18 CA LEU A 2 -4.259 3.990 -2.422 1.00 0.00 C +ATOM 19 C LEU A 2 -3.783 3.017 -1.328 1.00 0.00 C +ATOM 20 O LEU A 2 -3.304 1.928 -1.638 1.00 0.00 O +ATOM 21 CB LEU A 2 -3.148 4.316 -3.442 1.00 0.00 C +ATOM 22 CG LEU A 2 -3.647 5.049 -4.702 1.00 0.00 C +ATOM 23 CD1 LEU A 2 -2.468 5.586 -5.520 1.00 0.00 C +ATOM 24 CD2 LEU A 2 -4.488 4.133 -5.599 1.00 0.00 C +ATOM 25 H LEU A 2 -4.097 5.917 -1.583 1.00 0.00 H +ATOM 26 HA LEU A 2 -5.044 3.453 -2.954 1.00 0.00 H +ATOM 27 HB2 LEU A 2 -2.418 4.936 -2.958 1.00 0.00 H +ATOM 28 HB3 LEU A 2 -2.649 3.395 -3.748 1.00 0.00 H +ATOM 29 HG LEU A 2 -4.253 5.904 -4.403 1.00 0.00 H +ATOM 30 HD11 LEU A 2 -1.705 6.004 -4.864 1.00 0.00 H +ATOM 31 HD12 LEU A 2 -2.024 4.789 -6.119 1.00 0.00 H +ATOM 32 HD13 LEU A 2 -2.821 6.376 -6.183 1.00 0.00 H +ATOM 33 HD21 LEU A 2 -3.921 3.235 -5.845 1.00 0.00 H +ATOM 34 HD22 LEU A 2 -5.413 3.854 -5.094 1.00 0.00 H +ATOM 35 HD23 LEU A 2 -4.743 4.655 -6.521 1.00 0.00 H +ATOM 36 N TYR A 3 -3.936 3.389 -0.051 1.00 0.00 N +ATOM 37 CA TYR A 3 -3.430 2.642 1.105 1.00 0.00 C +ATOM 38 C TYR A 3 -3.954 1.198 1.152 1.00 0.00 C +ATOM 39 O TYR A 3 -3.201 0.279 1.464 1.00 0.00 O +ATOM 40 CB TYR A 3 -3.762 3.414 2.395 1.00 0.00 C +ATOM 41 CG TYR A 3 -2.656 3.341 3.430 1.00 0.00 C +ATOM 42 CD1 TYR A 3 -2.409 2.135 4.112 1.00 0.00 C +ATOM 43 CD2 TYR A 3 -1.845 4.468 3.678 1.00 0.00 C +ATOM 44 CE1 TYR A 3 -1.337 2.043 5.019 1.00 0.00 C +ATOM 45 CE2 TYR A 3 -0.773 4.382 4.586 1.00 0.00 C +ATOM 46 CZ TYR A 3 -0.505 3.158 5.243 1.00 0.00 C +ATOM 47 OH TYR A 3 0.567 3.040 6.071 1.00 0.00 O +ATOM 48 H TYR A 3 -4.366 4.282 0.125 1.00 0.00 H +ATOM 49 HA TYR A 3 -2.345 2.592 1.013 1.00 0.00 H +ATOM 50 HB2 TYR A 3 -3.928 4.444 2.144 1.00 0.00 H +ATOM 51 HB3 TYR A 3 -4.687 3.030 2.829 1.00 0.00 H +ATOM 52 HD1 TYR A 3 -3.032 1.273 3.926 1.00 0.00 H +ATOM 53 HD2 TYR A 3 -2.028 5.403 3.166 1.00 0.00 H +ATOM 54 HE1 TYR A 3 -1.128 1.119 5.535 1.00 0.00 H +ATOM 55 HE2 TYR A 3 -0.160 5.252 4.768 1.00 0.00 H +ATOM 56 HH TYR A 3 1.163 3.787 5.994 1.00 0.00 H +ATOM 57 N ILE A 4 -5.227 0.988 0.788 1.00 0.00 N +ATOM 58 CA ILE A 4 -5.849 -0.340 0.711 1.00 0.00 C +ATOM 59 C ILE A 4 -5.125 -1.216 -0.325 1.00 0.00 C +ATOM 60 O ILE A 4 -4.736 -2.340 -0.013 1.00 0.00 O +ATOM 61 CB ILE A 4 -7.369 -0.238 0.414 1.00 0.00 C +ATOM 62 CG1 ILE A 4 -8.095 0.818 1.288 1.00 0.00 C +ATOM 63 CG2 ILE A 4 -8.031 -1.608 0.641 1.00 0.00 C +ATOM 64 CD1 ILE A 4 -8.378 2.119 0.526 1.00 0.00 C +ATOM 65 H ILE A 4 -5.784 1.799 0.563 1.00 0.00 H +ATOM 66 HA ILE A 4 -5.728 -0.819 1.684 1.00 0.00 H +ATOM 67 HB ILE A 4 -7.507 0.023 -0.637 1.00 0.00 H +ATOM 68 HG12 ILE A 4 -9.027 0.405 1.622 1.00 0.00 H +ATOM 69 HG13 ILE A 4 -7.505 1.038 2.179 1.00 0.00 H +ATOM 70 HG21 ILE A 4 -7.517 -2.377 0.069 1.00 0.00 H +ATOM 71 HG22 ILE A 4 -7.986 -1.872 1.699 1.00 0.00 H +ATOM 72 HG23 ILE A 4 -9.075 -1.566 0.331 1.00 0.00 H +ATOM 73 HD11 ILE A 4 -7.483 2.471 0.011 1.00 0.00 H +ATOM 74 HD12 ILE A 4 -9.168 1.948 -0.207 1.00 0.00 H +ATOM 75 HD13 ILE A 4 -8.711 2.887 1.226 1.00 0.00 H +ATOM 76 N GLN A 5 -4.916 -0.702 -1.546 1.00 0.00 N +ATOM 77 CA GLN A 5 -4.150 -1.391 -2.590 1.00 0.00 C +ATOM 78 C GLN A 5 -2.691 -1.624 -2.173 1.00 0.00 C +ATOM 79 O GLN A 5 -2.176 -2.721 -2.360 1.00 0.00 O +ATOM 80 CB GLN A 5 -4.230 -0.639 -3.931 1.00 0.00 C +ATOM 81 CG GLN A 5 -5.625 -0.733 -4.579 1.00 0.00 C +ATOM 82 CD GLN A 5 -5.546 -0.884 -6.097 1.00 0.00 C +ATOM 83 OE1 GLN A 5 -5.814 -1.942 -6.641 1.00 0.00 O +ATOM 84 NE2 GLN A 5 -5.189 0.150 -6.835 1.00 0.00 N +ATOM 85 H GLN A 5 -5.185 0.257 -1.709 1.00 0.00 H +ATOM 86 HA GLN A 5 -4.580 -2.380 -2.738 1.00 0.00 H +ATOM 87 HB2 GLN A 5 -3.999 0.395 -3.760 1.00 0.00 H +ATOM 88 HB3 GLN A 5 -3.503 -1.090 -4.608 1.00 0.00 H +ATOM 89 HG2 GLN A 5 -6.138 -1.583 -4.173 1.00 0.00 H +ATOM 90 HG3 GLN A 5 -6.209 0.153 -4.330 1.00 0.00 H +ATOM 91 HE21 GLN A 5 -4.962 1.049 -6.453 1.00 0.00 H +ATOM 92 HE22 GLN A 5 -5.143 -0.061 -7.818 1.00 0.00 H +ATOM 93 N TRP A 6 -2.038 -0.638 -1.550 1.00 0.00 N +ATOM 94 CA TRP A 6 -0.680 -0.802 -1.023 1.00 0.00 C +ATOM 95 C TRP A 6 -0.581 -1.902 0.052 1.00 0.00 C +ATOM 96 O TRP A 6 0.370 -2.683 0.054 1.00 0.00 O +ATOM 97 CB TRP A 6 -0.182 0.548 -0.505 1.00 0.00 C +ATOM 98 CG TRP A 6 1.217 0.527 0.021 1.00 0.00 C +ATOM 99 CD1 TRP A 6 2.341 0.528 -0.734 1.00 0.00 C +ATOM 100 CD2 TRP A 6 1.664 0.460 1.409 1.00 0.00 C +ATOM 101 NE1 TRP A 6 3.445 0.460 0.092 1.00 0.00 N +ATOM 102 CE2 TRP A 6 3.088 0.426 1.419 1.00 0.00 C +ATOM 103 CE3 TRP A 6 1.014 0.427 2.664 1.00 0.00 C +ATOM 104 CZ2 TRP A 6 3.837 0.383 2.600 1.00 0.00 C +ATOM 105 CZ3 TRP A 6 1.756 0.370 3.860 1.00 0.00 C +ATOM 106 CH2 TRP A 6 3.163 0.355 3.831 1.00 0.00 C +ATOM 107 H TRP A 6 -2.505 0.261 -1.452 1.00 0.00 H +ATOM 108 HA TRP A 6 -0.030 -1.112 -1.845 1.00 0.00 H +ATOM 109 HB2 TRP A 6 -0.227 1.255 -1.311 1.00 0.00 H +ATOM 110 HB3 TRP A 6 -0.844 0.890 0.290 1.00 0.00 H +ATOM 111 HD1 TRP A 6 2.361 0.562 -1.814 1.00 0.00 H +ATOM 112 HE1 TRP A 6 4.420 0.464 -0.212 1.00 0.00 H +ATOM 113 HE3 TRP A 6 -0.065 0.453 2.696 1.00 0.00 H +ATOM 114 HZ2 TRP A 6 4.916 0.365 2.548 1.00 0.00 H +ATOM 115 HZ3 TRP A 6 1.242 0.352 4.811 1.00 0.00 H +ATOM 116 HH2 TRP A 6 3.723 0.327 4.755 1.00 0.00 H +ATOM 117 N LEU A 7 -1.576 -2.011 0.945 1.00 0.00 N +ATOM 118 CA LEU A 7 -1.649 -3.105 1.914 1.00 0.00 C +ATOM 119 C LEU A 7 -1.882 -4.474 1.254 1.00 0.00 C +ATOM 120 O LEU A 7 -1.265 -5.442 1.698 1.00 0.00 O +ATOM 121 CB LEU A 7 -2.712 -2.809 2.985 1.00 0.00 C +ATOM 122 CG LEU A 7 -2.272 -1.754 4.020 1.00 0.00 C +ATOM 123 CD1 LEU A 7 -3.470 -1.358 4.888 1.00 0.00 C +ATOM 124 CD2 LEU A 7 -1.166 -2.267 4.955 1.00 0.00 C +ATOM 125 H LEU A 7 -2.302 -1.297 0.951 1.00 0.00 H +ATOM 126 HA LEU A 7 -0.678 -3.182 2.402 1.00 0.00 H +ATOM 127 HB2 LEU A 7 -3.598 -2.454 2.494 1.00 0.00 H +ATOM 128 HB3 LEU A 7 -2.946 -3.732 3.519 1.00 0.00 H +ATOM 129 HG LEU A 7 -1.907 -0.864 3.508 1.00 0.00 H +ATOM 130 HD11 LEU A 7 -4.258 -0.942 4.261 1.00 0.00 H +ATOM 131 HD12 LEU A 7 -3.855 -2.232 5.416 1.00 0.00 H +ATOM 132 HD13 LEU A 7 -3.169 -0.607 5.619 1.00 0.00 H +ATOM 133 HD21 LEU A 7 -1.504 -3.160 5.481 1.00 0.00 H +ATOM 134 HD22 LEU A 7 -0.268 -2.501 4.389 1.00 0.00 H +ATOM 135 HD23 LEU A 7 -0.914 -1.496 5.684 1.00 0.00 H +ATOM 136 N LYS A 8 -2.698 -4.571 0.188 1.00 0.00 N +ATOM 137 CA LYS A 8 -2.920 -5.824 -0.568 1.00 0.00 C +ATOM 138 C LYS A 8 -1.620 -6.483 -1.050 1.00 0.00 C +ATOM 139 O LYS A 8 -1.511 -7.703 -0.966 1.00 0.00 O +ATOM 140 CB LYS A 8 -3.867 -5.590 -1.762 1.00 0.00 C +ATOM 141 CG LYS A 8 -5.354 -5.831 -1.453 1.00 0.00 C +ATOM 142 CD LYS A 8 -6.249 -4.698 -1.982 1.00 0.00 C +ATOM 143 CE LYS A 8 -7.691 -5.177 -2.180 1.00 0.00 C +ATOM 144 NZ LYS A 8 -8.665 -4.079 -1.976 1.00 0.00 N +ATOM 145 H LYS A 8 -3.180 -3.726 -0.103 1.00 0.00 H +ATOM 146 HA LYS A 8 -3.374 -6.556 0.102 1.00 0.00 H +ATOM 147 HB2 LYS A 8 -3.752 -4.574 -2.087 1.00 0.00 H +ATOM 148 HB3 LYS A 8 -3.594 -6.271 -2.572 1.00 0.00 H +ATOM 149 HG2 LYS A 8 -5.657 -6.753 -1.911 1.00 0.00 H +ATOM 150 HG3 LYS A 8 -5.512 -5.922 -0.377 1.00 0.00 H +ATOM 151 HD2 LYS A 8 -6.243 -3.889 -1.277 1.00 0.00 H +ATOM 152 HD3 LYS A 8 -5.872 -4.334 -2.938 1.00 0.00 H +ATOM 153 HE2 LYS A 8 -7.798 -5.556 -3.178 1.00 0.00 H +ATOM 154 HE3 LYS A 8 -7.897 -5.991 -1.480 1.00 0.00 H +ATOM 155 HZ1 LYS A 8 -8.685 -3.817 -0.999 1.00 0.00 H +ATOM 156 HZ2 LYS A 8 -8.405 -3.272 -2.528 1.00 0.00 H +ATOM 157 HZ3 LYS A 8 -9.592 -4.377 -2.248 1.00 0.00 H +ATOM 158 N ASP A 9 -0.639 -5.703 -1.510 1.00 0.00 N +ATOM 159 CA ASP A 9 0.688 -6.202 -1.905 1.00 0.00 C +ATOM 160 C ASP A 9 1.568 -6.674 -0.725 1.00 0.00 C +ATOM 161 O ASP A 9 2.581 -7.332 -0.959 1.00 0.00 O +ATOM 162 CB ASP A 9 1.424 -5.117 -2.708 1.00 0.00 C +ATOM 163 CG ASP A 9 1.030 -5.128 -4.186 1.00 0.00 C +ATOM 164 OD1 ASP A 9 0.004 -4.494 -4.518 1.00 0.00 O +ATOM 165 OD2 ASP A 9 1.768 -5.764 -4.970 1.00 0.00 O +ATOM 166 H ASP A 9 -0.835 -4.715 -1.632 1.00 0.00 H +ATOM 167 HA ASP A 9 0.559 -7.070 -2.554 1.00 0.00 H +ATOM 168 HB2 ASP A 9 1.184 -4.157 -2.293 1.00 0.00 H +ATOM 169 HB3 ASP A 9 2.495 -5.299 -2.651 1.00 0.00 H +ATOM 170 N GLY A 10 1.193 -6.382 0.530 1.00 0.00 N +ATOM 171 CA GLY A 10 1.971 -6.722 1.726 1.00 0.00 C +ATOM 172 C GLY A 10 2.536 -5.512 2.484 1.00 0.00 C +ATOM 173 O GLY A 10 3.434 -5.686 3.319 1.00 0.00 O +ATOM 174 H GLY A 10 0.285 -5.945 0.663 1.00 0.00 H +ATOM 175 HA2 GLY A 10 1.329 -7.276 2.410 1.00 0.00 H +ATOM 176 HA3 GLY A 10 2.805 -7.370 1.457 1.00 0.00 H +ATOM 177 N GLY A 11 2.052 -4.294 2.195 1.00 0.00 N +ATOM 178 CA GLY A 11 2.478 -3.045 2.826 1.00 0.00 C +ATOM 179 C GLY A 11 4.005 -2.879 2.813 1.00 0.00 C +ATOM 180 O GLY A 11 4.582 -2.906 1.721 1.00 0.00 O +ATOM 181 H GLY A 11 1.402 -4.219 1.418 1.00 0.00 H +ATOM 182 HA2 GLY A 11 2.046 -2.213 2.270 1.00 0.00 H +ATOM 183 HA3 GLY A 11 2.084 -3.016 3.839 1.00 0.00 H +ATOM 184 N PRO A 12 4.692 -2.759 3.973 1.00 0.00 N +ATOM 185 CA PRO A 12 6.152 -2.629 4.039 1.00 0.00 C +ATOM 186 C PRO A 12 6.923 -3.746 3.321 1.00 0.00 C +ATOM 187 O PRO A 12 8.027 -3.514 2.831 1.00 0.00 O +ATOM 188 CB PRO A 12 6.510 -2.622 5.531 1.00 0.00 C +ATOM 189 CG PRO A 12 5.218 -2.200 6.225 1.00 0.00 C +ATOM 190 CD PRO A 12 4.129 -2.762 5.317 1.00 0.00 C +ATOM 191 HA PRO A 12 6.435 -1.671 3.598 1.00 0.00 H +ATOM 192 HB2 PRO A 12 6.814 -3.599 5.854 1.00 0.00 H +ATOM 193 HB3 PRO A 12 7.322 -1.925 5.744 1.00 0.00 H +ATOM 194 HG2 PRO A 12 5.154 -2.624 7.209 1.00 0.00 H +ATOM 195 HG3 PRO A 12 5.152 -1.112 6.247 1.00 0.00 H +ATOM 196 HD2 PRO A 12 3.874 -3.761 5.613 1.00 0.00 H +ATOM 197 HD3 PRO A 12 3.237 -2.141 5.389 1.00 0.00 H +ATOM 198 N SER A 13 6.342 -4.949 3.227 1.00 0.00 N +ATOM 199 CA SER A 13 6.953 -6.108 2.565 1.00 0.00 C +ATOM 200 C SER A 13 6.835 -6.089 1.028 1.00 0.00 C +ATOM 201 O SER A 13 7.310 -7.013 0.372 1.00 0.00 O +ATOM 202 CB SER A 13 6.418 -7.407 3.189 1.00 0.00 C +ATOM 203 OG SER A 13 5.049 -7.646 2.925 1.00 0.00 O +ATOM 204 H SER A 13 5.398 -5.042 3.586 1.00 0.00 H +ATOM 205 HA SER A 13 8.021 -6.087 2.780 1.00 0.00 H +ATOM 206 HB2 SER A 13 6.986 -8.229 2.798 1.00 0.00 H +ATOM 207 HB3 SER A 13 6.570 -7.367 4.269 1.00 0.00 H +ATOM 208 HG SER A 13 4.491 -6.875 3.179 1.00 0.00 H +ATOM 209 N SER A 14 6.261 -5.024 0.445 1.00 0.00 N +ATOM 210 CA SER A 14 5.991 -4.891 -1.000 1.00 0.00 C +ATOM 211 C SER A 14 7.137 -4.279 -1.817 1.00 0.00 C +ATOM 212 O SER A 14 7.039 -4.212 -3.040 1.00 0.00 O +ATOM 213 CB SER A 14 4.767 -3.997 -1.251 1.00 0.00 C +ATOM 214 OG SER A 14 3.740 -4.198 -0.309 1.00 0.00 O +ATOM 215 H SER A 14 5.896 -4.305 1.059 1.00 0.00 H +ATOM 216 HA SER A 14 5.772 -5.881 -1.404 1.00 0.00 H +ATOM 217 HB2 SER A 14 5.077 -2.971 -1.206 1.00 0.00 H +ATOM 218 HB3 SER A 14 4.387 -4.198 -2.253 1.00 0.00 H +ATOM 219 HG SER A 14 3.989 -3.688 0.498 1.00 0.00 H +ATOM 220 N GLY A 15 8.190 -3.753 -1.173 1.00 0.00 N +ATOM 221 CA GLY A 15 9.278 -3.048 -1.864 1.00 0.00 C +ATOM 222 C GLY A 15 8.923 -1.636 -2.363 1.00 0.00 C +ATOM 223 O GLY A 15 9.597 -1.125 -3.256 1.00 0.00 O +ATOM 224 H GLY A 15 8.230 -3.874 -0.169 1.00 0.00 H +ATOM 225 HA2 GLY A 15 10.132 -2.963 -1.193 1.00 0.00 H +ATOM 226 HA3 GLY A 15 9.593 -3.638 -2.728 1.00 0.00 H +ATOM 227 N ARG A 16 7.874 -1.002 -1.812 1.00 0.00 N +ATOM 228 CA ARG A 16 7.382 0.330 -2.201 1.00 0.00 C +ATOM 229 C ARG A 16 6.915 1.120 -0.964 1.00 0.00 C +ATOM 230 O ARG A 16 6.231 0.524 -0.128 1.00 0.00 O +ATOM 231 CB ARG A 16 6.224 0.134 -3.199 1.00 0.00 C +ATOM 232 CG ARG A 16 5.717 1.452 -3.807 1.00 0.00 C +ATOM 233 CD ARG A 16 4.513 1.235 -4.737 1.00 0.00 C +ATOM 234 NE ARG A 16 4.760 1.773 -6.087 1.00 0.00 N +ATOM 235 CZ ARG A 16 5.414 1.176 -7.078 1.00 0.00 C +ATOM 236 NH1 ARG A 16 5.904 -0.036 -6.958 1.00 0.00 N +ATOM 237 NH2 ARG A 16 5.592 1.801 -8.218 1.00 0.00 N +ATOM 238 H ARG A 16 7.386 -1.480 -1.068 1.00 0.00 H +ATOM 239 HA ARG A 16 8.193 0.866 -2.695 1.00 0.00 H +ATOM 240 HB2 ARG A 16 6.564 -0.500 -3.995 1.00 0.00 H +ATOM 241 HB3 ARG A 16 5.397 -0.368 -2.693 1.00 0.00 H +ATOM 242 HG2 ARG A 16 5.425 2.110 -3.011 1.00 0.00 H +ATOM 243 HG3 ARG A 16 6.533 1.921 -4.356 1.00 0.00 H +ATOM 244 HD2 ARG A 16 4.318 0.183 -4.813 1.00 0.00 H +ATOM 245 HD3 ARG A 16 3.650 1.750 -4.307 1.00 0.00 H +ATOM 246 HE ARG A 16 4.417 2.701 -6.269 1.00 0.00 H +ATOM 247 HH11 ARG A 16 5.763 -0.524 -6.091 1.00 0.00 H +ATOM 248 HH12 ARG A 16 6.395 -0.483 -7.711 1.00 0.00 H +ATOM 249 HH21 ARG A 16 5.241 2.733 -8.353 1.00 0.00 H +ATOM 250 HH22 ARG A 16 6.087 1.345 -8.963 1.00 0.00 H +ATOM 251 N PRO A 17 7.201 2.434 -0.845 1.00 0.00 N +ATOM 252 CA PRO A 17 6.709 3.260 0.266 1.00 0.00 C +ATOM 253 C PRO A 17 5.174 3.417 0.252 1.00 0.00 C +ATOM 254 O PRO A 17 4.553 3.245 -0.801 1.00 0.00 O +ATOM 255 CB PRO A 17 7.409 4.616 0.102 1.00 0.00 C +ATOM 256 CG PRO A 17 7.686 4.697 -1.397 1.00 0.00 C +ATOM 257 CD PRO A 17 7.996 3.247 -1.757 1.00 0.00 C +ATOM 258 HA PRO A 17 7.014 2.807 1.209 1.00 0.00 H +ATOM 259 HB2 PRO A 17 6.770 5.418 0.418 1.00 0.00 H +ATOM 260 HB3 PRO A 17 8.355 4.606 0.646 1.00 0.00 H +ATOM 261 HG2 PRO A 17 6.826 5.053 -1.931 1.00 0.00 H +ATOM 262 HG3 PRO A 17 8.523 5.360 -1.621 1.00 0.00 H +ATOM 263 HD2 PRO A 17 7.719 3.047 -2.774 1.00 0.00 H +ATOM 264 HD3 PRO A 17 9.056 3.045 -1.589 1.00 0.00 H +ATOM 265 N PRO A 18 4.551 3.769 1.395 1.00 0.00 N +ATOM 266 CA PRO A 18 3.107 3.972 1.479 1.00 0.00 C +ATOM 267 C PRO A 18 2.667 5.246 0.736 1.00 0.00 C +ATOM 268 O PRO A 18 3.406 6.231 0.715 1.00 0.00 O +ATOM 269 CB PRO A 18 2.790 4.070 2.975 1.00 0.00 C +ATOM 270 CG PRO A 18 4.088 4.608 3.577 1.00 0.00 C +ATOM 271 CD PRO A 18 5.169 3.986 2.696 1.00 0.00 C +ATOM 272 HA PRO A 18 2.605 3.104 1.061 1.00 0.00 H +ATOM 273 HB2 PRO A 18 1.976 4.746 3.152 1.00 0.00 H +ATOM 274 HB3 PRO A 18 2.591 3.076 3.371 1.00 0.00 H +ATOM 275 HG2 PRO A 18 4.120 5.679 3.526 1.00 0.00 H +ATOM 276 HG3 PRO A 18 4.200 4.315 4.621 1.00 0.00 H +ATOM 277 HD2 PRO A 18 6.005 4.652 2.605 1.00 0.00 H +ATOM 278 HD3 PRO A 18 5.478 3.028 3.113 1.00 0.00 H +ATOM 279 N PRO A 19 1.453 5.261 0.157 1.00 0.00 N +ATOM 280 CA PRO A 19 0.895 6.437 -0.497 1.00 0.00 C +ATOM 281 C PRO A 19 0.313 7.426 0.527 1.00 0.00 C +ATOM 282 O PRO A 19 -0.289 7.024 1.526 1.00 0.00 O +ATOM 283 CB PRO A 19 -0.191 5.879 -1.419 1.00 0.00 C +ATOM 284 CG PRO A 19 -0.709 4.662 -0.648 1.00 0.00 C +ATOM 285 CD PRO A 19 0.528 4.140 0.072 1.00 0.00 C +ATOM 286 HA PRO A 19 1.661 6.937 -1.093 1.00 0.00 H +ATOM 287 HB2 PRO A 19 -0.972 6.598 -1.574 1.00 0.00 H +ATOM 288 HB3 PRO A 19 0.264 5.549 -2.354 1.00 0.00 H +ATOM 289 HG2 PRO A 19 -1.469 4.948 0.054 1.00 0.00 H +ATOM 290 HG3 PRO A 19 -1.113 3.904 -1.316 1.00 0.00 H +ATOM 291 HD2 PRO A 19 0.269 3.796 1.055 1.00 0.00 H +ATOM 292 HD3 PRO A 19 0.983 3.342 -0.516 1.00 0.00 H +ATOM 293 N SER A 20 0.435 8.721 0.221 1.00 0.00 N +ATOM 294 CA SER A 20 -0.096 9.858 0.986 1.00 0.00 C +ATOM 295 C SER A 20 -0.738 10.863 0.030 1.00 0.00 C +ATOM 296 O SER A 20 0.078 11.508 -0.677 1.00 0.00 O +ATOM 297 CB SER A 20 1.036 10.515 1.790 1.00 0.00 C +ATOM 298 OG SER A 20 1.921 11.080 0.848 1.00 0.00 O +ATOM 299 OXT SER A 20 -1.985 10.935 0.010 1.00 0.00 O +ATOM 300 H SER A 20 0.966 8.976 -0.599 1.00 0.00 H +ATOM 301 HA SER A 20 -0.871 9.518 1.672 1.00 0.00 H +ATOM 302 HB2 SER A 20 0.640 11.279 2.431 1.00 0.00 H +ATOM 303 HB3 SER A 20 1.548 9.780 2.415 1.00 0.00 H +ATOM 304 HG SER A 20 1.284 11.357 0.104 1.00 0.00 H +TER 305 SER A 20 +ENDMDL +MODEL 16 +ATOM 1 N ASN A 1 -8.985 3.821 -0.843 1.00 0.00 N +ATOM 2 CA ASN A 1 -8.461 2.997 -1.957 1.00 0.00 C +ATOM 3 C ASN A 1 -6.942 2.892 -1.960 1.00 0.00 C +ATOM 4 O ASN A 1 -6.453 1.798 -1.714 1.00 0.00 O +ATOM 5 CB ASN A 1 -9.056 3.439 -3.298 1.00 0.00 C +ATOM 6 CG ASN A 1 -10.516 3.025 -3.296 1.00 0.00 C +ATOM 7 OD1 ASN A 1 -11.303 3.596 -2.558 1.00 0.00 O +ATOM 8 ND2 ASN A 1 -10.879 1.968 -3.997 1.00 0.00 N +ATOM 9 H1 ASN A 1 -8.630 3.491 0.044 1.00 0.00 H +ATOM 10 H2 ASN A 1 -8.733 4.791 -0.971 1.00 0.00 H +ATOM 11 H3 ASN A 1 -9.999 3.760 -0.843 1.00 0.00 H +ATOM 12 HA ASN A 1 -8.800 1.972 -1.795 1.00 0.00 H +ATOM 13 HB2 ASN A 1 -8.975 4.504 -3.404 1.00 0.00 H +ATOM 14 HB3 ASN A 1 -8.543 2.956 -4.125 1.00 0.00 H +ATOM 15 HD21 ASN A 1 -10.234 1.458 -4.583 1.00 0.00 H +ATOM 16 HD22 ASN A 1 -11.851 1.711 -3.928 1.00 0.00 H +ATOM 17 N LEU A 2 -6.201 3.988 -2.170 1.00 0.00 N +ATOM 18 CA LEU A 2 -4.729 4.023 -2.199 1.00 0.00 C +ATOM 19 C LEU A 2 -4.037 3.168 -1.116 1.00 0.00 C +ATOM 20 O LEU A 2 -3.314 2.226 -1.445 1.00 0.00 O +ATOM 21 CB LEU A 2 -4.249 5.491 -2.208 1.00 0.00 C +ATOM 22 CG LEU A 2 -4.830 6.411 -1.102 1.00 0.00 C +ATOM 23 CD1 LEU A 2 -3.744 6.981 -0.191 1.00 0.00 C +ATOM 24 CD2 LEU A 2 -5.610 7.577 -1.716 1.00 0.00 C +ATOM 25 H LEU A 2 -6.656 4.854 -2.419 1.00 0.00 H +ATOM 26 HA LEU A 2 -4.416 3.587 -3.149 1.00 0.00 H +ATOM 27 HB2 LEU A 2 -3.181 5.487 -2.102 1.00 0.00 H +ATOM 28 HB3 LEU A 2 -4.495 5.911 -3.186 1.00 0.00 H +ATOM 29 HG LEU A 2 -5.519 5.848 -0.473 1.00 0.00 H +ATOM 30 HD11 LEU A 2 -3.233 6.180 0.339 1.00 0.00 H +ATOM 31 HD12 LEU A 2 -3.013 7.542 -0.773 1.00 0.00 H +ATOM 32 HD13 LEU A 2 -4.187 7.648 0.549 1.00 0.00 H +ATOM 33 HD21 LEU A 2 -4.940 8.203 -2.305 1.00 0.00 H +ATOM 34 HD22 LEU A 2 -6.406 7.203 -2.358 1.00 0.00 H +ATOM 35 HD23 LEU A 2 -6.050 8.182 -0.924 1.00 0.00 H +ATOM 36 N TYR A 3 -4.276 3.462 0.168 1.00 0.00 N +ATOM 37 CA TYR A 3 -3.662 2.734 1.282 1.00 0.00 C +ATOM 38 C TYR A 3 -4.055 1.248 1.304 1.00 0.00 C +ATOM 39 O TYR A 3 -3.199 0.393 1.521 1.00 0.00 O +ATOM 40 CB TYR A 3 -4.017 3.443 2.599 1.00 0.00 C +ATOM 41 CG TYR A 3 -3.241 2.974 3.819 1.00 0.00 C +ATOM 42 CD1 TYR A 3 -1.832 2.899 3.785 1.00 0.00 C +ATOM 43 CD2 TYR A 3 -3.928 2.662 5.010 1.00 0.00 C +ATOM 44 CE1 TYR A 3 -1.115 2.469 4.918 1.00 0.00 C +ATOM 45 CE2 TYR A 3 -3.214 2.261 6.153 1.00 0.00 C +ATOM 46 CZ TYR A 3 -1.810 2.142 6.104 1.00 0.00 C +ATOM 47 OH TYR A 3 -1.150 1.670 7.197 1.00 0.00 O +ATOM 48 H TYR A 3 -4.837 4.272 0.378 1.00 0.00 H +ATOM 49 HA TYR A 3 -2.581 2.779 1.145 1.00 0.00 H +ATOM 50 HB2 TYR A 3 -3.831 4.492 2.471 1.00 0.00 H +ATOM 51 HB3 TYR A 3 -5.087 3.318 2.784 1.00 0.00 H +ATOM 52 HD1 TYR A 3 -1.288 3.179 2.895 1.00 0.00 H +ATOM 53 HD2 TYR A 3 -5.005 2.735 5.060 1.00 0.00 H +ATOM 54 HE1 TYR A 3 -0.037 2.418 4.887 1.00 0.00 H +ATOM 55 HE2 TYR A 3 -3.725 2.015 7.071 1.00 0.00 H +ATOM 56 HH TYR A 3 -0.473 1.035 6.968 1.00 0.00 H +ATOM 57 N ILE A 4 -5.324 0.935 1.003 1.00 0.00 N +ATOM 58 CA ILE A 4 -5.835 -0.433 0.848 1.00 0.00 C +ATOM 59 C ILE A 4 -5.070 -1.165 -0.259 1.00 0.00 C +ATOM 60 O ILE A 4 -4.556 -2.249 -0.010 1.00 0.00 O +ATOM 61 CB ILE A 4 -7.373 -0.454 0.628 1.00 0.00 C +ATOM 62 CG1 ILE A 4 -8.119 0.069 1.882 1.00 0.00 C +ATOM 63 CG2 ILE A 4 -7.865 -1.878 0.304 1.00 0.00 C +ATOM 64 CD1 ILE A 4 -8.406 1.577 1.860 1.00 0.00 C +ATOM 65 H ILE A 4 -5.933 1.699 0.766 1.00 0.00 H +ATOM 66 HA ILE A 4 -5.626 -0.976 1.772 1.00 0.00 H +ATOM 67 HB ILE A 4 -7.639 0.170 -0.222 1.00 0.00 H +ATOM 68 HG12 ILE A 4 -9.055 -0.451 1.958 1.00 0.00 H +ATOM 69 HG13 ILE A 4 -7.537 -0.172 2.773 1.00 0.00 H +ATOM 70 HG21 ILE A 4 -7.467 -2.211 -0.654 1.00 0.00 H +ATOM 71 HG22 ILE A 4 -7.552 -2.574 1.084 1.00 0.00 H +ATOM 72 HG23 ILE A 4 -8.953 -1.892 0.229 1.00 0.00 H +ATOM 73 HD11 ILE A 4 -7.613 2.129 1.361 1.00 0.00 H +ATOM 74 HD12 ILE A 4 -9.347 1.759 1.338 1.00 0.00 H +ATOM 75 HD13 ILE A 4 -8.496 1.941 2.884 1.00 0.00 H +ATOM 76 N GLN A 5 -4.953 -0.577 -1.456 1.00 0.00 N +ATOM 77 CA GLN A 5 -4.193 -1.137 -2.578 1.00 0.00 C +ATOM 78 C GLN A 5 -2.737 -1.444 -2.205 1.00 0.00 C +ATOM 79 O GLN A 5 -2.269 -2.544 -2.502 1.00 0.00 O +ATOM 80 CB GLN A 5 -4.275 -0.188 -3.786 1.00 0.00 C +ATOM 81 CG GLN A 5 -5.565 -0.416 -4.589 1.00 0.00 C +ATOM 82 CD GLN A 5 -5.973 0.808 -5.398 1.00 0.00 C +ATOM 83 OE1 GLN A 5 -7.023 1.388 -5.178 1.00 0.00 O +ATOM 84 NE2 GLN A 5 -5.173 1.247 -6.352 1.00 0.00 N +ATOM 85 H GLN A 5 -5.394 0.332 -1.576 1.00 0.00 H +ATOM 86 HA GLN A 5 -4.644 -2.090 -2.855 1.00 0.00 H +ATOM 87 HB2 GLN A 5 -4.256 0.826 -3.436 1.00 0.00 H +ATOM 88 HB3 GLN A 5 -3.423 -0.354 -4.446 1.00 0.00 H +ATOM 89 HG2 GLN A 5 -5.411 -1.237 -5.262 1.00 0.00 H +ATOM 90 HG3 GLN A 5 -6.383 -0.657 -3.908 1.00 0.00 H +ATOM 91 HE21 GLN A 5 -4.298 0.808 -6.577 1.00 0.00 H +ATOM 92 HE22 GLN A 5 -5.526 2.044 -6.855 1.00 0.00 H +ATOM 93 N TRP A 6 -2.045 -0.512 -1.537 1.00 0.00 N +ATOM 94 CA TRP A 6 -0.676 -0.717 -1.051 1.00 0.00 C +ATOM 95 C TRP A 6 -0.574 -1.823 0.011 1.00 0.00 C +ATOM 96 O TRP A 6 0.277 -2.708 -0.097 1.00 0.00 O +ATOM 97 CB TRP A 6 -0.129 0.610 -0.523 1.00 0.00 C +ATOM 98 CG TRP A 6 1.281 0.547 -0.017 1.00 0.00 C +ATOM 99 CD1 TRP A 6 2.388 0.529 -0.785 1.00 0.00 C +ATOM 100 CD2 TRP A 6 1.751 0.483 1.369 1.00 0.00 C +ATOM 101 NE1 TRP A 6 3.510 0.450 0.021 1.00 0.00 N +ATOM 102 CE2 TRP A 6 3.175 0.431 1.351 1.00 0.00 C +ATOM 103 CE3 TRP A 6 1.129 0.466 2.636 1.00 0.00 C +ATOM 104 CZ2 TRP A 6 3.949 0.390 2.518 1.00 0.00 C +ATOM 105 CZ3 TRP A 6 1.894 0.408 3.818 1.00 0.00 C +ATOM 106 CH2 TRP A 6 3.300 0.384 3.763 1.00 0.00 C +ATOM 107 H TRP A 6 -2.501 0.381 -1.357 1.00 0.00 H +ATOM 108 HA TRP A 6 -0.053 -1.031 -1.891 1.00 0.00 H +ATOM 109 HB2 TRP A 6 -0.167 1.328 -1.319 1.00 0.00 H +ATOM 110 HB3 TRP A 6 -0.772 0.969 0.281 1.00 0.00 H +ATOM 111 HD1 TRP A 6 2.399 0.570 -1.868 1.00 0.00 H +ATOM 112 HE1 TRP A 6 4.480 0.455 -0.290 1.00 0.00 H +ATOM 113 HE3 TRP A 6 0.051 0.501 2.690 1.00 0.00 H +ATOM 114 HZ2 TRP A 6 5.027 0.361 2.446 1.00 0.00 H +ATOM 115 HZ3 TRP A 6 1.403 0.391 4.779 1.00 0.00 H +ATOM 116 HH2 TRP A 6 3.881 0.356 4.673 1.00 0.00 H +ATOM 117 N LEU A 7 -1.457 -1.813 1.020 1.00 0.00 N +ATOM 118 CA LEU A 7 -1.515 -2.880 2.022 1.00 0.00 C +ATOM 119 C LEU A 7 -1.825 -4.246 1.392 1.00 0.00 C +ATOM 120 O LEU A 7 -1.201 -5.233 1.781 1.00 0.00 O +ATOM 121 CB LEU A 7 -2.540 -2.533 3.116 1.00 0.00 C +ATOM 122 CG LEU A 7 -2.096 -1.425 4.093 1.00 0.00 C +ATOM 123 CD1 LEU A 7 -3.250 -1.130 5.052 1.00 0.00 C +ATOM 124 CD2 LEU A 7 -0.870 -1.826 4.923 1.00 0.00 C +ATOM 125 H LEU A 7 -2.129 -1.050 1.079 1.00 0.00 H +ATOM 126 HA LEU A 7 -0.530 -2.978 2.476 1.00 0.00 H +ATOM 127 HB2 LEU A 7 -3.444 -2.212 2.636 1.00 0.00 H +ATOM 128 HB3 LEU A 7 -2.739 -3.435 3.698 1.00 0.00 H +ATOM 129 HG LEU A 7 -1.858 -0.515 3.546 1.00 0.00 H +ATOM 130 HD11 LEU A 7 -4.089 -0.709 4.497 1.00 0.00 H +ATOM 131 HD12 LEU A 7 -3.566 -2.044 5.557 1.00 0.00 H +ATOM 132 HD13 LEU A 7 -2.934 -0.410 5.803 1.00 0.00 H +ATOM 133 HD21 LEU A 7 -1.062 -2.759 5.451 1.00 0.00 H +ATOM 134 HD22 LEU A 7 0.000 -1.946 4.281 1.00 0.00 H +ATOM 135 HD23 LEU A 7 -0.647 -1.045 5.648 1.00 0.00 H +ATOM 136 N LYS A 8 -2.718 -4.307 0.394 1.00 0.00 N +ATOM 137 CA LYS A 8 -3.085 -5.532 -0.333 1.00 0.00 C +ATOM 138 C LYS A 8 -1.882 -6.223 -0.984 1.00 0.00 C +ATOM 139 O LYS A 8 -1.848 -7.448 -1.047 1.00 0.00 O +ATOM 140 CB LYS A 8 -4.149 -5.208 -1.398 1.00 0.00 C +ATOM 141 CG LYS A 8 -4.972 -6.445 -1.780 1.00 0.00 C +ATOM 142 CD LYS A 8 -5.913 -6.206 -2.971 1.00 0.00 C +ATOM 143 CE LYS A 8 -5.170 -6.233 -4.317 1.00 0.00 C +ATOM 144 NZ LYS A 8 -4.735 -4.890 -4.767 1.00 0.00 N +ATOM 145 H LYS A 8 -3.216 -3.446 0.170 1.00 0.00 H +ATOM 146 HA LYS A 8 -3.506 -6.236 0.387 1.00 0.00 H +ATOM 147 HB2 LYS A 8 -4.811 -4.457 -1.010 1.00 0.00 H +ATOM 148 HB3 LYS A 8 -3.649 -4.799 -2.275 1.00 0.00 H +ATOM 149 HG2 LYS A 8 -4.296 -7.239 -2.034 1.00 0.00 H +ATOM 150 HG3 LYS A 8 -5.577 -6.724 -0.915 1.00 0.00 H +ATOM 151 HD2 LYS A 8 -6.664 -6.972 -2.976 1.00 0.00 H +ATOM 152 HD3 LYS A 8 -6.467 -5.274 -2.843 1.00 0.00 H +ATOM 153 HE2 LYS A 8 -4.303 -6.857 -4.216 1.00 0.00 H +ATOM 154 HE3 LYS A 8 -5.841 -6.664 -5.066 1.00 0.00 H +ATOM 155 HZ1 LYS A 8 -5.540 -4.295 -4.905 1.00 0.00 H +ATOM 156 HZ2 LYS A 8 -4.116 -4.470 -4.084 1.00 0.00 H +ATOM 157 HZ3 LYS A 8 -4.232 -4.964 -5.642 1.00 0.00 H +ATOM 158 N ASP A 9 -0.902 -5.444 -1.456 1.00 0.00 N +ATOM 159 CA ASP A 9 0.348 -5.945 -2.038 1.00 0.00 C +ATOM 160 C ASP A 9 1.310 -6.525 -0.977 1.00 0.00 C +ATOM 161 O ASP A 9 2.208 -7.294 -1.310 1.00 0.00 O +ATOM 162 CB ASP A 9 1.013 -4.797 -2.817 1.00 0.00 C +ATOM 163 CG ASP A 9 1.703 -5.285 -4.093 1.00 0.00 C +ATOM 164 OD1 ASP A 9 0.950 -5.620 -5.038 1.00 0.00 O +ATOM 165 OD2 ASP A 9 2.951 -5.273 -4.135 1.00 0.00 O +ATOM 166 H ASP A 9 -1.024 -4.442 -1.395 1.00 0.00 H +ATOM 167 HA ASP A 9 0.107 -6.748 -2.738 1.00 0.00 H +ATOM 168 HB2 ASP A 9 0.261 -4.080 -3.084 1.00 0.00 H +ATOM 169 HB3 ASP A 9 1.722 -4.274 -2.176 1.00 0.00 H +ATOM 170 N GLY A 10 1.095 -6.194 0.306 1.00 0.00 N +ATOM 171 CA GLY A 10 1.925 -6.595 1.444 1.00 0.00 C +ATOM 172 C GLY A 10 2.500 -5.422 2.247 1.00 0.00 C +ATOM 173 O GLY A 10 3.312 -5.648 3.146 1.00 0.00 O +ATOM 174 H GLY A 10 0.256 -5.661 0.510 1.00 0.00 H +ATOM 175 HA2 GLY A 10 1.317 -7.196 2.118 1.00 0.00 H +ATOM 176 HA3 GLY A 10 2.758 -7.207 1.101 1.00 0.00 H +ATOM 177 N GLY A 11 2.118 -4.173 1.938 1.00 0.00 N +ATOM 178 CA GLY A 11 2.643 -2.980 2.600 1.00 0.00 C +ATOM 179 C GLY A 11 4.177 -2.920 2.520 1.00 0.00 C +ATOM 180 O GLY A 11 4.704 -2.996 1.404 1.00 0.00 O +ATOM 181 H GLY A 11 1.494 -4.036 1.148 1.00 0.00 H +ATOM 182 HA2 GLY A 11 2.239 -2.102 2.100 1.00 0.00 H +ATOM 183 HA3 GLY A 11 2.298 -2.976 3.632 1.00 0.00 H +ATOM 184 N PRO A 12 4.917 -2.819 3.647 1.00 0.00 N +ATOM 185 CA PRO A 12 6.382 -2.799 3.646 1.00 0.00 C +ATOM 186 C PRO A 12 7.030 -4.001 2.943 1.00 0.00 C +ATOM 187 O PRO A 12 8.063 -3.835 2.294 1.00 0.00 O +ATOM 188 CB PRO A 12 6.809 -2.746 5.118 1.00 0.00 C +ATOM 189 CG PRO A 12 5.582 -2.203 5.844 1.00 0.00 C +ATOM 190 CD PRO A 12 4.419 -2.739 5.012 1.00 0.00 C +ATOM 191 HA PRO A 12 6.713 -1.886 3.148 1.00 0.00 H +ATOM 192 HB2 PRO A 12 7.061 -3.725 5.477 1.00 0.00 H +ATOM 193 HB3 PRO A 12 7.675 -2.096 5.258 1.00 0.00 H +ATOM 194 HG2 PRO A 12 5.537 -2.571 6.851 1.00 0.00 H +ATOM 195 HG3 PRO A 12 5.587 -1.112 5.807 1.00 0.00 H +ATOM 196 HD2 PRO A 12 4.125 -3.710 5.361 1.00 0.00 H +ATOM 197 HD3 PRO A 12 3.565 -2.068 5.100 1.00 0.00 H +ATOM 198 N SER A 13 6.415 -5.193 3.014 1.00 0.00 N +ATOM 199 CA SER A 13 6.932 -6.420 2.383 1.00 0.00 C +ATOM 200 C SER A 13 7.055 -6.302 0.860 1.00 0.00 C +ATOM 201 O SER A 13 7.865 -6.999 0.255 1.00 0.00 O +ATOM 202 CB SER A 13 6.032 -7.613 2.710 1.00 0.00 C +ATOM 203 OG SER A 13 5.997 -7.832 4.106 1.00 0.00 O +ATOM 204 H SER A 13 5.544 -5.278 3.527 1.00 0.00 H +ATOM 205 HA SER A 13 7.927 -6.625 2.782 1.00 0.00 H +ATOM 206 HB2 SER A 13 5.038 -7.414 2.358 1.00 0.00 H +ATOM 207 HB3 SER A 13 6.424 -8.504 2.218 1.00 0.00 H +ATOM 208 HG SER A 13 5.429 -8.585 4.283 1.00 0.00 H +ATOM 209 N SER A 14 6.287 -5.390 0.254 1.00 0.00 N +ATOM 210 CA SER A 14 6.322 -5.050 -1.172 1.00 0.00 C +ATOM 211 C SER A 14 7.593 -4.289 -1.582 1.00 0.00 C +ATOM 212 O SER A 14 7.834 -4.108 -2.773 1.00 0.00 O +ATOM 213 CB SER A 14 5.101 -4.192 -1.567 1.00 0.00 C +ATOM 214 OG SER A 14 4.017 -4.292 -0.662 1.00 0.00 O +ATOM 215 H SER A 14 5.633 -4.881 0.831 1.00 0.00 H +ATOM 216 HA SER A 14 6.280 -5.977 -1.745 1.00 0.00 H +ATOM 217 HB2 SER A 14 5.409 -3.165 -1.614 1.00 0.00 H +ATOM 218 HB3 SER A 14 4.775 -4.489 -2.563 1.00 0.00 H +ATOM 219 HG SER A 14 4.222 -3.726 0.121 1.00 0.00 H +ATOM 220 N GLY A 15 8.386 -3.785 -0.622 1.00 0.00 N +ATOM 221 CA GLY A 15 9.603 -3.011 -0.885 1.00 0.00 C +ATOM 222 C GLY A 15 9.362 -1.593 -1.427 1.00 0.00 C +ATOM 223 O GLY A 15 10.306 -0.952 -1.881 1.00 0.00 O +ATOM 224 H GLY A 15 8.154 -3.973 0.353 1.00 0.00 H +ATOM 225 HA2 GLY A 15 10.169 -2.923 0.042 1.00 0.00 H +ATOM 226 HA3 GLY A 15 10.220 -3.549 -1.606 1.00 0.00 H +ATOM 227 N ARG A 16 8.117 -1.096 -1.381 1.00 0.00 N +ATOM 228 CA ARG A 16 7.691 0.212 -1.899 1.00 0.00 C +ATOM 229 C ARG A 16 7.091 1.060 -0.764 1.00 0.00 C +ATOM 230 O ARG A 16 6.300 0.516 0.009 1.00 0.00 O +ATOM 231 CB ARG A 16 6.671 -0.025 -3.030 1.00 0.00 C +ATOM 232 CG ARG A 16 6.236 1.275 -3.721 1.00 0.00 C +ATOM 233 CD ARG A 16 5.149 1.034 -4.770 1.00 0.00 C +ATOM 234 NE ARG A 16 4.730 2.310 -5.382 1.00 0.00 N +ATOM 235 CZ ARG A 16 3.684 2.515 -6.172 1.00 0.00 C +ATOM 236 NH1 ARG A 16 2.874 1.539 -6.511 1.00 0.00 N +ATOM 237 NH2 ARG A 16 3.433 3.717 -6.637 1.00 0.00 N +ATOM 238 H ARG A 16 7.418 -1.684 -0.950 1.00 0.00 H +ATOM 239 HA ARG A 16 8.564 0.718 -2.312 1.00 0.00 H +ATOM 240 HB2 ARG A 16 7.115 -0.671 -3.763 1.00 0.00 H +ATOM 241 HB3 ARG A 16 5.791 -0.523 -2.617 1.00 0.00 H +ATOM 242 HG2 ARG A 16 5.857 1.951 -2.979 1.00 0.00 H +ATOM 243 HG3 ARG A 16 7.100 1.731 -4.204 1.00 0.00 H +ATOM 244 HD2 ARG A 16 5.533 0.385 -5.534 1.00 0.00 H +ATOM 245 HD3 ARG A 16 4.293 0.562 -4.283 1.00 0.00 H +ATOM 246 HE ARG A 16 5.293 3.114 -5.162 1.00 0.00 H +ATOM 247 HH11 ARG A 16 3.073 0.618 -6.161 1.00 0.00 H +ATOM 248 HH12 ARG A 16 2.086 1.696 -7.110 1.00 0.00 H +ATOM 249 HH21 ARG A 16 4.029 4.490 -6.397 1.00 0.00 H +ATOM 250 HH22 ARG A 16 2.642 3.867 -7.235 1.00 0.00 H +ATOM 251 N PRO A 17 7.386 2.375 -0.671 1.00 0.00 N +ATOM 252 CA PRO A 17 6.796 3.253 0.346 1.00 0.00 C +ATOM 253 C PRO A 17 5.267 3.389 0.203 1.00 0.00 C +ATOM 254 O PRO A 17 4.733 3.160 -0.887 1.00 0.00 O +ATOM 255 CB PRO A 17 7.495 4.609 0.170 1.00 0.00 C +ATOM 256 CG PRO A 17 7.932 4.600 -1.293 1.00 0.00 C +ATOM 257 CD PRO A 17 8.291 3.135 -1.522 1.00 0.00 C +ATOM 258 HA PRO A 17 7.029 2.854 1.334 1.00 0.00 H +ATOM 259 HB2 PRO A 17 6.817 5.418 0.362 1.00 0.00 H +ATOM 260 HB3 PRO A 17 8.375 4.651 0.813 1.00 0.00 H +ATOM 261 HG2 PRO A 17 7.132 4.909 -1.938 1.00 0.00 H +ATOM 262 HG3 PRO A 17 8.783 5.259 -1.469 1.00 0.00 H +ATOM 263 HD2 PRO A 17 8.148 2.870 -2.552 1.00 0.00 H +ATOM 264 HD3 PRO A 17 9.319 2.954 -1.207 1.00 0.00 H +ATOM 265 N PRO A 18 4.555 3.783 1.280 1.00 0.00 N +ATOM 266 CA PRO A 18 3.107 3.955 1.251 1.00 0.00 C +ATOM 267 C PRO A 18 2.677 5.165 0.399 1.00 0.00 C +ATOM 268 O PRO A 18 3.440 6.118 0.240 1.00 0.00 O +ATOM 269 CB PRO A 18 2.682 4.114 2.714 1.00 0.00 C +ATOM 270 CG PRO A 18 3.920 4.702 3.385 1.00 0.00 C +ATOM 271 CD PRO A 18 5.071 4.058 2.612 1.00 0.00 C +ATOM 272 HA PRO A 18 2.660 3.050 0.846 1.00 0.00 H +ATOM 273 HB2 PRO A 18 1.846 4.781 2.800 1.00 0.00 H +ATOM 274 HB3 PRO A 18 2.472 3.133 3.140 1.00 0.00 H +ATOM 275 HG2 PRO A 18 3.940 5.770 3.288 1.00 0.00 H +ATOM 276 HG3 PRO A 18 3.960 4.460 4.446 1.00 0.00 H +ATOM 277 HD2 PRO A 18 5.906 4.730 2.557 1.00 0.00 H +ATOM 278 HD3 PRO A 18 5.353 3.118 3.092 1.00 0.00 H +ATOM 279 N PRO A 19 1.446 5.145 -0.145 1.00 0.00 N +ATOM 280 CA PRO A 19 0.886 6.247 -0.912 1.00 0.00 C +ATOM 281 C PRO A 19 0.347 7.353 0.009 1.00 0.00 C +ATOM 282 O PRO A 19 -0.657 7.156 0.691 1.00 0.00 O +ATOM 283 CB PRO A 19 -0.216 5.613 -1.764 1.00 0.00 C +ATOM 284 CG PRO A 19 -0.713 4.453 -0.902 1.00 0.00 C +ATOM 285 CD PRO A 19 0.539 4.007 -0.154 1.00 0.00 C +ATOM 286 HA PRO A 19 1.645 6.666 -1.575 1.00 0.00 H +ATOM 287 HB2 PRO A 19 -1.005 6.315 -1.954 1.00 0.00 H +ATOM 288 HB3 PRO A 19 0.222 5.216 -2.681 1.00 0.00 H +ATOM 289 HG2 PRO A 19 -1.473 4.780 -0.218 1.00 0.00 H +ATOM 290 HG3 PRO A 19 -1.118 3.650 -1.516 1.00 0.00 H +ATOM 291 HD2 PRO A 19 0.289 3.725 0.851 1.00 0.00 H +ATOM 292 HD3 PRO A 19 1.012 3.193 -0.700 1.00 0.00 H +ATOM 293 N SER A 20 0.994 8.526 -0.049 1.00 0.00 N +ATOM 294 CA SER A 20 0.653 9.774 0.659 1.00 0.00 C +ATOM 295 C SER A 20 0.918 9.764 2.177 1.00 0.00 C +ATOM 296 O SER A 20 0.442 10.754 2.789 1.00 0.00 O +ATOM 297 CB SER A 20 -0.786 10.208 0.336 1.00 0.00 C +ATOM 298 OG SER A 20 -0.959 11.455 0.965 1.00 0.00 O +ATOM 299 OXT SER A 20 1.603 8.846 2.675 1.00 0.00 O +ATOM 300 H SER A 20 1.867 8.518 -0.553 1.00 0.00 H +ATOM 301 HA SER A 20 1.307 10.553 0.271 1.00 0.00 H +ATOM 302 HB2 SER A 20 -0.919 10.302 -0.725 1.00 0.00 H +ATOM 303 HB3 SER A 20 -1.495 9.494 0.758 1.00 0.00 H +ATOM 304 HG SER A 20 -0.420 11.315 1.824 1.00 0.00 H +TER 305 SER A 20 +ENDMDL +MODEL 17 +ATOM 1 N ASN A 1 -8.598 5.262 -0.292 1.00 0.00 N +ATOM 2 CA ASN A 1 -8.658 3.999 -1.068 1.00 0.00 C +ATOM 3 C ASN A 1 -7.282 3.479 -1.479 1.00 0.00 C +ATOM 4 O ASN A 1 -7.038 2.293 -1.290 1.00 0.00 O +ATOM 5 CB ASN A 1 -9.633 4.090 -2.256 1.00 0.00 C +ATOM 6 CG ASN A 1 -11.034 3.705 -1.797 1.00 0.00 C +ATOM 7 OD1 ASN A 1 -11.203 2.706 -1.121 1.00 0.00 O +ATOM 8 ND2 ASN A 1 -12.056 4.485 -2.091 1.00 0.00 N +ATOM 9 H1 ASN A 1 -7.871 5.210 0.409 1.00 0.00 H +ATOM 10 H2 ASN A 1 -8.409 6.043 -0.906 1.00 0.00 H +ATOM 11 H3 ASN A 1 -9.483 5.425 0.171 1.00 0.00 H +ATOM 12 HA ASN A 1 -9.048 3.224 -0.405 1.00 0.00 H +ATOM 13 HB2 ASN A 1 -9.644 5.095 -2.633 1.00 0.00 H +ATOM 14 HB3 ASN A 1 -9.339 3.378 -3.028 1.00 0.00 H +ATOM 15 HD21 ASN A 1 -11.996 5.318 -2.653 1.00 0.00 H +ATOM 16 HD22 ASN A 1 -12.946 4.132 -1.770 1.00 0.00 H +ATOM 17 N LEU A 2 -6.367 4.322 -1.982 1.00 0.00 N +ATOM 18 CA LEU A 2 -5.025 3.900 -2.419 1.00 0.00 C +ATOM 19 C LEU A 2 -4.243 3.096 -1.364 1.00 0.00 C +ATOM 20 O LEU A 2 -3.570 2.120 -1.698 1.00 0.00 O +ATOM 21 CB LEU A 2 -4.224 5.145 -2.840 1.00 0.00 C +ATOM 22 CG LEU A 2 -4.672 5.767 -4.178 1.00 0.00 C +ATOM 23 CD1 LEU A 2 -3.897 7.063 -4.418 1.00 0.00 C +ATOM 24 CD2 LEU A 2 -4.426 4.814 -5.354 1.00 0.00 C +ATOM 25 H LEU A 2 -6.595 5.288 -2.162 1.00 0.00 H +ATOM 26 HA LEU A 2 -5.133 3.236 -3.278 1.00 0.00 H +ATOM 27 HB2 LEU A 2 -4.329 5.887 -2.073 1.00 0.00 H +ATOM 28 HB3 LEU A 2 -3.170 4.876 -2.925 1.00 0.00 H +ATOM 29 HG LEU A 2 -5.734 6.008 -4.131 1.00 0.00 H +ATOM 30 HD11 LEU A 2 -4.056 7.754 -3.588 1.00 0.00 H +ATOM 31 HD12 LEU A 2 -2.832 6.853 -4.509 1.00 0.00 H +ATOM 32 HD13 LEU A 2 -4.248 7.538 -5.334 1.00 0.00 H +ATOM 33 HD21 LEU A 2 -3.421 4.393 -5.292 1.00 0.00 H +ATOM 34 HD22 LEU A 2 -5.156 4.005 -5.345 1.00 0.00 H +ATOM 35 HD23 LEU A 2 -4.526 5.349 -6.297 1.00 0.00 H +ATOM 36 N TYR A 3 -4.383 3.462 -0.084 1.00 0.00 N +ATOM 37 CA TYR A 3 -3.757 2.758 1.034 1.00 0.00 C +ATOM 38 C TYR A 3 -4.175 1.279 1.120 1.00 0.00 C +ATOM 39 O TYR A 3 -3.350 0.425 1.441 1.00 0.00 O +ATOM 40 CB TYR A 3 -4.083 3.494 2.342 1.00 0.00 C +ATOM 41 CG TYR A 3 -3.021 3.296 3.403 1.00 0.00 C +ATOM 42 CD1 TYR A 3 -1.860 4.092 3.363 1.00 0.00 C +ATOM 43 CD2 TYR A 3 -3.175 2.317 4.405 1.00 0.00 C +ATOM 44 CE1 TYR A 3 -0.846 3.906 4.317 1.00 0.00 C +ATOM 45 CE2 TYR A 3 -2.162 2.132 5.366 1.00 0.00 C +ATOM 46 CZ TYR A 3 -0.992 2.923 5.318 1.00 0.00 C +ATOM 47 OH TYR A 3 0.011 2.729 6.217 1.00 0.00 O +ATOM 48 H TYR A 3 -4.910 4.298 0.109 1.00 0.00 H +ATOM 49 HA TYR A 3 -2.678 2.791 0.884 1.00 0.00 H +ATOM 50 HB2 TYR A 3 -4.169 4.543 2.134 1.00 0.00 H +ATOM 51 HB3 TYR A 3 -5.054 3.166 2.719 1.00 0.00 H +ATOM 52 HD1 TYR A 3 -1.741 4.850 2.600 1.00 0.00 H +ATOM 53 HD2 TYR A 3 -4.067 1.705 4.436 1.00 0.00 H +ATOM 54 HE1 TYR A 3 0.050 4.506 4.296 1.00 0.00 H +ATOM 55 HE2 TYR A 3 -2.281 1.396 6.145 1.00 0.00 H +ATOM 56 HH TYR A 3 -0.092 1.913 6.709 1.00 0.00 H +ATOM 57 N ILE A 4 -5.434 0.963 0.782 1.00 0.00 N +ATOM 58 CA ILE A 4 -5.959 -0.407 0.754 1.00 0.00 C +ATOM 59 C ILE A 4 -5.234 -1.224 -0.323 1.00 0.00 C +ATOM 60 O ILE A 4 -4.791 -2.341 -0.056 1.00 0.00 O +ATOM 61 CB ILE A 4 -7.489 -0.415 0.505 1.00 0.00 C +ATOM 62 CG1 ILE A 4 -8.287 0.574 1.386 1.00 0.00 C +ATOM 63 CG2 ILE A 4 -8.084 -1.834 0.645 1.00 0.00 C +ATOM 64 CD1 ILE A 4 -7.998 0.474 2.893 1.00 0.00 C +ATOM 65 H ILE A 4 -6.027 1.699 0.419 1.00 0.00 H +ATOM 66 HA ILE A 4 -5.758 -0.874 1.720 1.00 0.00 H +ATOM 67 HB ILE A 4 -7.652 -0.114 -0.531 1.00 0.00 H +ATOM 68 HG12 ILE A 4 -8.051 1.571 1.066 1.00 0.00 H +ATOM 69 HG13 ILE A 4 -9.351 0.403 1.219 1.00 0.00 H +ATOM 70 HG21 ILE A 4 -7.310 -2.600 0.624 1.00 0.00 H +ATOM 71 HG22 ILE A 4 -8.633 -1.940 1.582 1.00 0.00 H +ATOM 72 HG23 ILE A 4 -8.777 -2.015 -0.176 1.00 0.00 H +ATOM 73 HD11 ILE A 4 -7.679 -0.532 3.164 1.00 0.00 H +ATOM 74 HD12 ILE A 4 -7.214 1.179 3.165 1.00 0.00 H +ATOM 75 HD13 ILE A 4 -8.902 0.718 3.451 1.00 0.00 H +ATOM 76 N GLN A 5 -5.082 -0.658 -1.529 1.00 0.00 N +ATOM 77 CA GLN A 5 -4.322 -1.281 -2.612 1.00 0.00 C +ATOM 78 C GLN A 5 -2.862 -1.527 -2.213 1.00 0.00 C +ATOM 79 O GLN A 5 -2.351 -2.625 -2.425 1.00 0.00 O +ATOM 80 CB GLN A 5 -4.396 -0.435 -3.898 1.00 0.00 C +ATOM 81 CG GLN A 5 -5.293 -1.073 -4.971 1.00 0.00 C +ATOM 82 CD GLN A 5 -4.805 -0.728 -6.375 1.00 0.00 C +ATOM 83 OE1 GLN A 5 -4.736 0.424 -6.768 1.00 0.00 O +ATOM 84 NE2 GLN A 5 -4.436 -1.716 -7.169 1.00 0.00 N +ATOM 85 H GLN A 5 -5.436 0.282 -1.657 1.00 0.00 H +ATOM 86 HA GLN A 5 -4.757 -2.263 -2.799 1.00 0.00 H +ATOM 87 HB2 GLN A 5 -4.789 0.532 -3.651 1.00 0.00 H +ATOM 88 HB3 GLN A 5 -3.390 -0.336 -4.310 1.00 0.00 H +ATOM 89 HG2 GLN A 5 -5.281 -2.139 -4.848 1.00 0.00 H +ATOM 90 HG3 GLN A 5 -6.316 -0.718 -4.849 1.00 0.00 H +ATOM 91 HE21 GLN A 5 -4.461 -2.680 -6.883 1.00 0.00 H +ATOM 92 HE22 GLN A 5 -4.101 -1.424 -8.072 1.00 0.00 H +ATOM 93 N TRP A 6 -2.207 -0.530 -1.604 1.00 0.00 N +ATOM 94 CA TRP A 6 -0.837 -0.672 -1.104 1.00 0.00 C +ATOM 95 C TRP A 6 -0.705 -1.777 -0.043 1.00 0.00 C +ATOM 96 O TRP A 6 0.217 -2.593 -0.114 1.00 0.00 O +ATOM 97 CB TRP A 6 -0.347 0.675 -0.564 1.00 0.00 C +ATOM 98 CG TRP A 6 1.007 0.616 0.072 1.00 0.00 C +ATOM 99 CD1 TRP A 6 2.190 0.555 -0.580 1.00 0.00 C +ATOM 100 CD2 TRP A 6 1.332 0.576 1.493 1.00 0.00 C +ATOM 101 NE1 TRP A 6 3.222 0.465 0.337 1.00 0.00 N +ATOM 102 CE2 TRP A 6 2.749 0.489 1.629 1.00 0.00 C +ATOM 103 CE3 TRP A 6 0.572 0.607 2.680 1.00 0.00 C +ATOM 104 CZ2 TRP A 6 3.387 0.464 2.876 1.00 0.00 C +ATOM 105 CZ3 TRP A 6 1.201 0.554 3.937 1.00 0.00 C +ATOM 106 CH2 TRP A 6 2.602 0.496 4.040 1.00 0.00 C +ATOM 107 H TRP A 6 -2.687 0.361 -1.494 1.00 0.00 H +ATOM 108 HA TRP A 6 -0.192 -0.960 -1.936 1.00 0.00 H +ATOM 109 HB2 TRP A 6 -0.308 1.372 -1.379 1.00 0.00 H +ATOM 110 HB3 TRP A 6 -1.057 1.038 0.178 1.00 0.00 H +ATOM 111 HD1 TRP A 6 2.302 0.568 -1.656 1.00 0.00 H +ATOM 112 HE1 TRP A 6 4.213 0.428 0.099 1.00 0.00 H +ATOM 113 HE3 TRP A 6 -0.505 0.677 2.615 1.00 0.00 H +ATOM 114 HZ2 TRP A 6 4.464 0.415 2.929 1.00 0.00 H +ATOM 115 HZ3 TRP A 6 0.600 0.564 4.832 1.00 0.00 H +ATOM 116 HH2 TRP A 6 3.067 0.481 5.014 1.00 0.00 H +ATOM 117 N LEU A 7 -1.635 -1.843 0.921 1.00 0.00 N +ATOM 118 CA LEU A 7 -1.657 -2.918 1.915 1.00 0.00 C +ATOM 119 C LEU A 7 -1.850 -4.300 1.279 1.00 0.00 C +ATOM 120 O LEU A 7 -1.189 -5.245 1.705 1.00 0.00 O +ATOM 121 CB LEU A 7 -2.734 -2.654 2.978 1.00 0.00 C +ATOM 122 CG LEU A 7 -2.362 -1.573 4.010 1.00 0.00 C +ATOM 123 CD1 LEU A 7 -3.534 -1.401 4.981 1.00 0.00 C +ATOM 124 CD2 LEU A 7 -1.117 -1.940 4.827 1.00 0.00 C +ATOM 125 H LEU A 7 -2.351 -1.119 0.959 1.00 0.00 H +ATOM 126 HA LEU A 7 -0.679 -2.957 2.392 1.00 0.00 H +ATOM 127 HB2 LEU A 7 -3.631 -2.344 2.477 1.00 0.00 H +ATOM 128 HB3 LEU A 7 -2.923 -3.583 3.518 1.00 0.00 H +ATOM 129 HG LEU A 7 -2.187 -0.627 3.506 1.00 0.00 H +ATOM 130 HD11 LEU A 7 -4.451 -1.204 4.427 1.00 0.00 H +ATOM 131 HD12 LEU A 7 -3.657 -2.303 5.579 1.00 0.00 H +ATOM 132 HD13 LEU A 7 -3.341 -0.562 5.647 1.00 0.00 H +ATOM 133 HD21 LEU A 7 -1.237 -2.927 5.274 1.00 0.00 H +ATOM 134 HD22 LEU A 7 -0.232 -1.942 4.191 1.00 0.00 H +ATOM 135 HD23 LEU A 7 -0.962 -1.204 5.615 1.00 0.00 H +ATOM 136 N LYS A 8 -2.693 -4.415 0.243 1.00 0.00 N +ATOM 137 CA LYS A 8 -2.927 -5.668 -0.497 1.00 0.00 C +ATOM 138 C LYS A 8 -1.653 -6.277 -1.088 1.00 0.00 C +ATOM 139 O LYS A 8 -1.528 -7.496 -1.107 1.00 0.00 O +ATOM 140 CB LYS A 8 -3.973 -5.432 -1.602 1.00 0.00 C +ATOM 141 CG LYS A 8 -5.211 -6.326 -1.434 1.00 0.00 C +ATOM 142 CD LYS A 8 -6.475 -5.580 -1.872 1.00 0.00 C +ATOM 143 CE LYS A 8 -7.711 -6.420 -1.540 1.00 0.00 C +ATOM 144 NZ LYS A 8 -8.949 -5.755 -2.006 1.00 0.00 N +ATOM 145 H LYS A 8 -3.216 -3.585 -0.025 1.00 0.00 H +ATOM 146 HA LYS A 8 -3.295 -6.407 0.215 1.00 0.00 H +ATOM 147 HB2 LYS A 8 -4.282 -4.405 -1.571 1.00 0.00 H +ATOM 148 HB3 LYS A 8 -3.535 -5.617 -2.585 1.00 0.00 H +ATOM 149 HG2 LYS A 8 -5.095 -7.207 -2.035 1.00 0.00 H +ATOM 150 HG3 LYS A 8 -5.330 -6.615 -0.390 1.00 0.00 H +ATOM 151 HD2 LYS A 8 -6.532 -4.641 -1.355 1.00 0.00 H +ATOM 152 HD3 LYS A 8 -6.425 -5.375 -2.942 1.00 0.00 H +ATOM 153 HE2 LYS A 8 -7.625 -7.376 -2.020 1.00 0.00 H +ATOM 154 HE3 LYS A 8 -7.744 -6.556 -0.456 1.00 0.00 H +ATOM 155 HZ1 LYS A 8 -8.883 -4.758 -1.855 1.00 0.00 H +ATOM 156 HZ2 LYS A 8 -9.086 -5.926 -2.995 1.00 0.00 H +ATOM 157 HZ3 LYS A 8 -9.750 -6.109 -1.500 1.00 0.00 H +ATOM 158 N ASP A 9 -0.716 -5.437 -1.534 1.00 0.00 N +ATOM 159 CA ASP A 9 0.596 -5.859 -2.042 1.00 0.00 C +ATOM 160 C ASP A 9 1.481 -6.488 -0.941 1.00 0.00 C +ATOM 161 O ASP A 9 2.363 -7.284 -1.255 1.00 0.00 O +ATOM 162 CB ASP A 9 1.292 -4.644 -2.692 1.00 0.00 C +ATOM 163 CG ASP A 9 2.005 -4.972 -4.012 1.00 0.00 C +ATOM 164 OD1 ASP A 9 1.283 -5.311 -4.975 1.00 0.00 O +ATOM 165 OD2 ASP A 9 3.245 -4.797 -4.077 1.00 0.00 O +ATOM 166 H ASP A 9 -0.933 -4.447 -1.525 1.00 0.00 H +ATOM 167 HA ASP A 9 0.434 -6.621 -2.808 1.00 0.00 H +ATOM 168 HB2 ASP A 9 0.551 -3.893 -2.885 1.00 0.00 H +ATOM 169 HB3 ASP A 9 2.002 -4.208 -1.987 1.00 0.00 H +ATOM 170 N GLY A 10 1.219 -6.165 0.339 1.00 0.00 N +ATOM 171 CA GLY A 10 2.000 -6.593 1.510 1.00 0.00 C +ATOM 172 C GLY A 10 2.552 -5.441 2.368 1.00 0.00 C +ATOM 173 O GLY A 10 3.421 -5.669 3.222 1.00 0.00 O +ATOM 174 H GLY A 10 0.387 -5.611 0.509 1.00 0.00 H +ATOM 175 HA2 GLY A 10 1.359 -7.205 2.144 1.00 0.00 H +ATOM 176 HA3 GLY A 10 2.843 -7.202 1.190 1.00 0.00 H +ATOM 177 N GLY A 11 2.100 -4.200 2.127 1.00 0.00 N +ATOM 178 CA GLY A 11 2.565 -3.016 2.844 1.00 0.00 C +ATOM 179 C GLY A 11 4.085 -2.823 2.696 1.00 0.00 C +ATOM 180 O GLY A 11 4.601 -2.976 1.581 1.00 0.00 O +ATOM 181 H GLY A 11 1.469 -4.062 1.347 1.00 0.00 H +ATOM 182 HA2 GLY A 11 2.060 -2.134 2.448 1.00 0.00 H +ATOM 183 HA3 GLY A 11 2.283 -3.131 3.889 1.00 0.00 H +ATOM 184 N PRO A 12 4.824 -2.520 3.787 1.00 0.00 N +ATOM 185 CA PRO A 12 6.277 -2.307 3.754 1.00 0.00 C +ATOM 186 C PRO A 12 7.081 -3.495 3.201 1.00 0.00 C +ATOM 187 O PRO A 12 8.203 -3.312 2.737 1.00 0.00 O +ATOM 188 CB PRO A 12 6.699 -2.018 5.204 1.00 0.00 C +ATOM 189 CG PRO A 12 5.406 -1.656 5.929 1.00 0.00 C +ATOM 190 CD PRO A 12 4.342 -2.429 5.160 1.00 0.00 C +ATOM 191 HA PRO A 12 6.486 -1.429 3.142 1.00 0.00 H +ATOM 192 HB2 PRO A 12 7.148 -2.886 5.646 1.00 0.00 H +ATOM 193 HB3 PRO A 12 7.420 -1.199 5.254 1.00 0.00 H +ATOM 194 HG2 PRO A 12 5.441 -1.968 6.955 1.00 0.00 H +ATOM 195 HG3 PRO A 12 5.218 -0.586 5.838 1.00 0.00 H +ATOM 196 HD2 PRO A 12 4.219 -3.410 5.578 1.00 0.00 H +ATOM 197 HD3 PRO A 12 3.387 -1.911 5.231 1.00 0.00 H +ATOM 198 N SER A 13 6.509 -4.707 3.214 1.00 0.00 N +ATOM 199 CA SER A 13 7.159 -5.950 2.773 1.00 0.00 C +ATOM 200 C SER A 13 7.030 -6.225 1.263 1.00 0.00 C +ATOM 201 O SER A 13 7.213 -7.355 0.818 1.00 0.00 O +ATOM 202 CB SER A 13 6.698 -7.124 3.649 1.00 0.00 C +ATOM 203 OG SER A 13 5.331 -7.475 3.506 1.00 0.00 O +ATOM 204 H SER A 13 5.551 -4.762 3.529 1.00 0.00 H +ATOM 205 HA SER A 13 8.229 -5.841 2.949 1.00 0.00 H +ATOM 206 HB2 SER A 13 7.291 -7.982 3.396 1.00 0.00 H +ATOM 207 HB3 SER A 13 6.899 -6.873 4.691 1.00 0.00 H +ATOM 208 HG SER A 13 4.725 -6.704 3.495 1.00 0.00 H +ATOM 209 N SER A 14 6.763 -5.177 0.472 1.00 0.00 N +ATOM 210 CA SER A 14 6.427 -5.256 -0.961 1.00 0.00 C +ATOM 211 C SER A 14 7.393 -4.454 -1.849 1.00 0.00 C +ATOM 212 O SER A 14 7.103 -4.203 -3.018 1.00 0.00 O +ATOM 213 CB SER A 14 4.966 -4.835 -1.209 1.00 0.00 C +ATOM 214 OG SER A 14 4.155 -4.935 -0.060 1.00 0.00 O +ATOM 215 H SER A 14 6.628 -4.294 0.943 1.00 0.00 H +ATOM 216 HA SER A 14 6.505 -6.297 -1.276 1.00 0.00 H +ATOM 217 HB2 SER A 14 4.957 -3.816 -1.545 1.00 0.00 H +ATOM 218 HB3 SER A 14 4.553 -5.447 -2.010 1.00 0.00 H +ATOM 219 HG SER A 14 4.335 -4.165 0.528 1.00 0.00 H +ATOM 220 N GLY A 15 8.524 -3.999 -1.288 1.00 0.00 N +ATOM 221 CA GLY A 15 9.526 -3.183 -1.983 1.00 0.00 C +ATOM 222 C GLY A 15 9.030 -1.786 -2.384 1.00 0.00 C +ATOM 223 O GLY A 15 9.571 -1.198 -3.319 1.00 0.00 O +ATOM 224 H GLY A 15 8.702 -4.280 -0.334 1.00 0.00 H +ATOM 225 HA2 GLY A 15 10.392 -3.054 -1.335 1.00 0.00 H +ATOM 226 HA3 GLY A 15 9.855 -3.702 -2.884 1.00 0.00 H +ATOM 227 N ARG A 16 7.999 -1.262 -1.701 1.00 0.00 N +ATOM 228 CA ARG A 16 7.349 0.019 -2.007 1.00 0.00 C +ATOM 229 C ARG A 16 6.893 0.760 -0.731 1.00 0.00 C +ATOM 230 O ARG A 16 6.219 0.163 0.112 1.00 0.00 O +ATOM 231 CB ARG A 16 6.178 -0.191 -2.987 1.00 0.00 C +ATOM 232 CG ARG A 16 5.135 -1.203 -2.490 1.00 0.00 C +ATOM 233 CD ARG A 16 3.984 -1.428 -3.468 1.00 0.00 C +ATOM 234 NE ARG A 16 4.422 -2.198 -4.644 1.00 0.00 N +ATOM 235 CZ ARG A 16 3.985 -2.079 -5.889 1.00 0.00 C +ATOM 236 NH1 ARG A 16 3.095 -1.174 -6.226 1.00 0.00 N +ATOM 237 NH2 ARG A 16 4.443 -2.867 -6.829 1.00 0.00 N +ATOM 238 H ARG A 16 7.637 -1.808 -0.931 1.00 0.00 H +ATOM 239 HA ARG A 16 8.087 0.627 -2.526 1.00 0.00 H +ATOM 240 HB2 ARG A 16 5.690 0.752 -3.140 1.00 0.00 H +ATOM 241 HB3 ARG A 16 6.587 -0.548 -3.935 1.00 0.00 H +ATOM 242 HG2 ARG A 16 5.627 -2.142 -2.323 1.00 0.00 H +ATOM 243 HG3 ARG A 16 4.707 -0.869 -1.550 1.00 0.00 H +ATOM 244 HD2 ARG A 16 3.202 -1.967 -2.969 1.00 0.00 H +ATOM 245 HD3 ARG A 16 3.580 -0.460 -3.754 1.00 0.00 H +ATOM 246 HE ARG A 16 4.950 -3.039 -4.447 1.00 0.00 H +ATOM 247 HH11 ARG A 16 2.699 -0.623 -5.487 1.00 0.00 H +ATOM 248 HH12 ARG A 16 2.736 -1.119 -7.160 1.00 0.00 H +ATOM 249 HH21 ARG A 16 5.052 -3.623 -6.563 1.00 0.00 H +ATOM 250 HH22 ARG A 16 4.097 -2.799 -7.766 1.00 0.00 H +ATOM 251 N PRO A 17 7.222 2.058 -0.583 1.00 0.00 N +ATOM 252 CA PRO A 17 6.818 2.862 0.570 1.00 0.00 C +ATOM 253 C PRO A 17 5.308 3.175 0.566 1.00 0.00 C +ATOM 254 O PRO A 17 4.649 2.986 -0.461 1.00 0.00 O +ATOM 255 CB PRO A 17 7.668 4.136 0.467 1.00 0.00 C +ATOM 256 CG PRO A 17 7.903 4.302 -1.030 1.00 0.00 C +ATOM 257 CD PRO A 17 7.972 2.866 -1.536 1.00 0.00 C +ATOM 258 HA PRO A 17 7.067 2.330 1.490 1.00 0.00 H +ATOM 259 HB2 PRO A 17 7.140 4.980 0.866 1.00 0.00 H +ATOM 260 HB3 PRO A 17 8.622 3.973 0.971 1.00 0.00 H +ATOM 261 HG2 PRO A 17 7.092 4.833 -1.490 1.00 0.00 H +ATOM 262 HG3 PRO A 17 8.828 4.841 -1.235 1.00 0.00 H +ATOM 263 HD2 PRO A 17 7.531 2.795 -2.511 1.00 0.00 H +ATOM 264 HD3 PRO A 17 9.009 2.530 -1.559 1.00 0.00 H +ATOM 265 N PRO A 18 4.746 3.667 1.690 1.00 0.00 N +ATOM 266 CA PRO A 18 3.331 4.024 1.786 1.00 0.00 C +ATOM 267 C PRO A 18 2.969 5.219 0.879 1.00 0.00 C +ATOM 268 O PRO A 18 3.752 6.167 0.773 1.00 0.00 O +ATOM 269 CB PRO A 18 3.081 4.342 3.265 1.00 0.00 C +ATOM 270 CG PRO A 18 4.457 4.738 3.793 1.00 0.00 C +ATOM 271 CD PRO A 18 5.409 3.874 2.971 1.00 0.00 C +ATOM 272 HA PRO A 18 2.737 3.158 1.511 1.00 0.00 H +ATOM 273 HB2 PRO A 18 2.385 5.152 3.369 1.00 0.00 H +ATOM 274 HB3 PRO A 18 2.740 3.441 3.778 1.00 0.00 H +ATOM 275 HG2 PRO A 18 4.646 5.781 3.629 1.00 0.00 H +ATOM 276 HG3 PRO A 18 4.557 4.542 4.860 1.00 0.00 H +ATOM 277 HD2 PRO A 18 6.346 4.379 2.831 1.00 0.00 H +ATOM 278 HD3 PRO A 18 5.554 2.911 3.463 1.00 0.00 H +ATOM 279 N PRO A 19 1.774 5.216 0.253 1.00 0.00 N +ATOM 280 CA PRO A 19 1.314 6.299 -0.608 1.00 0.00 C +ATOM 281 C PRO A 19 0.874 7.500 0.242 1.00 0.00 C +ATOM 282 O PRO A 19 -0.165 7.445 0.901 1.00 0.00 O +ATOM 283 CB PRO A 19 0.174 5.693 -1.433 1.00 0.00 C +ATOM 284 CG PRO A 19 -0.436 4.648 -0.498 1.00 0.00 C +ATOM 285 CD PRO A 19 0.761 4.170 0.330 1.00 0.00 C +ATOM 286 HA PRO A 19 2.114 6.607 -1.283 1.00 0.00 H +ATOM 287 HB2 PRO A 19 -0.549 6.442 -1.694 1.00 0.00 H +ATOM 288 HB3 PRO A 19 0.591 5.191 -2.307 1.00 0.00 H +ATOM 289 HG2 PRO A 19 -1.187 5.087 0.130 1.00 0.00 H +ATOM 290 HG3 PRO A 19 -0.891 3.829 -1.053 1.00 0.00 H +ATOM 291 HD2 PRO A 19 0.466 4.016 1.350 1.00 0.00 H +ATOM 292 HD3 PRO A 19 1.161 3.257 -0.105 1.00 0.00 H +ATOM 293 N SER A 20 1.692 8.561 0.244 1.00 0.00 N +ATOM 294 CA SER A 20 1.395 9.850 0.892 1.00 0.00 C +ATOM 295 C SER A 20 0.641 10.781 -0.057 1.00 0.00 C +ATOM 296 O SER A 20 1.191 11.035 -1.153 1.00 0.00 O +ATOM 297 CB SER A 20 2.675 10.542 1.362 1.00 0.00 C +ATOM 298 OG SER A 20 3.385 9.705 2.254 1.00 0.00 O +ATOM 299 OXT SER A 20 -0.453 11.237 0.341 1.00 0.00 O +ATOM 300 H SER A 20 2.495 8.530 -0.365 1.00 0.00 H +ATOM 301 HA SER A 20 0.748 9.687 1.754 1.00 0.00 H +ATOM 302 HB2 SER A 20 3.293 10.759 0.512 1.00 0.00 H +ATOM 303 HB3 SER A 20 2.412 11.474 1.867 1.00 0.00 H +ATOM 304 HG SER A 20 3.522 8.859 1.817 1.00 0.00 H +TER 305 SER A 20 +ENDMDL +MODEL 18 +ATOM 1 N ASN A 1 -4.790 8.442 0.249 1.00 0.00 N +ATOM 2 CA ASN A 1 -5.686 7.485 -0.453 1.00 0.00 C +ATOM 3 C ASN A 1 -4.849 6.300 -0.965 1.00 0.00 C +ATOM 4 O ASN A 1 -3.693 6.208 -0.570 1.00 0.00 O +ATOM 5 CB ASN A 1 -6.519 8.196 -1.544 1.00 0.00 C +ATOM 6 CG ASN A 1 -7.833 7.461 -1.812 1.00 0.00 C +ATOM 7 OD1 ASN A 1 -7.853 6.422 -2.450 1.00 0.00 O +ATOM 8 ND2 ASN A 1 -8.951 7.930 -1.294 1.00 0.00 N +ATOM 9 H1 ASN A 1 -4.244 7.939 0.938 1.00 0.00 H +ATOM 10 H2 ASN A 1 -4.142 8.858 -0.406 1.00 0.00 H +ATOM 11 H3 ASN A 1 -5.325 9.168 0.704 1.00 0.00 H +ATOM 12 HA ASN A 1 -6.383 7.080 0.282 1.00 0.00 H +ATOM 13 HB2 ASN A 1 -6.738 9.195 -1.220 1.00 0.00 H +ATOM 14 HB3 ASN A 1 -5.944 8.259 -2.469 1.00 0.00 H +ATOM 15 HD21 ASN A 1 -9.019 8.786 -0.768 1.00 0.00 H +ATOM 16 HD22 ASN A 1 -9.770 7.389 -1.524 1.00 0.00 H +ATOM 17 N LEU A 2 -5.405 5.376 -1.765 1.00 0.00 N +ATOM 18 CA LEU A 2 -4.751 4.202 -2.378 1.00 0.00 C +ATOM 19 C LEU A 2 -4.144 3.169 -1.390 1.00 0.00 C +ATOM 20 O LEU A 2 -3.662 2.112 -1.794 1.00 0.00 O +ATOM 21 CB LEU A 2 -3.724 4.701 -3.418 1.00 0.00 C +ATOM 22 CG LEU A 2 -3.530 3.738 -4.610 1.00 0.00 C +ATOM 23 CD1 LEU A 2 -4.310 4.230 -5.834 1.00 0.00 C +ATOM 24 CD2 LEU A 2 -2.051 3.617 -4.978 1.00 0.00 C +ATOM 25 H LEU A 2 -6.367 5.541 -2.065 1.00 0.00 H +ATOM 26 HA LEU A 2 -5.530 3.669 -2.924 1.00 0.00 H +ATOM 27 HB2 LEU A 2 -4.059 5.647 -3.798 1.00 0.00 H +ATOM 28 HB3 LEU A 2 -2.776 4.864 -2.910 1.00 0.00 H +ATOM 29 HG LEU A 2 -3.896 2.747 -4.351 1.00 0.00 H +ATOM 30 HD11 LEU A 2 -5.363 4.348 -5.581 1.00 0.00 H +ATOM 31 HD12 LEU A 2 -3.911 5.184 -6.179 1.00 0.00 H +ATOM 32 HD13 LEU A 2 -4.230 3.497 -6.639 1.00 0.00 H +ATOM 33 HD21 LEU A 2 -1.642 4.598 -5.223 1.00 0.00 H +ATOM 34 HD22 LEU A 2 -1.504 3.192 -4.138 1.00 0.00 H +ATOM 35 HD23 LEU A 2 -1.942 2.955 -5.838 1.00 0.00 H +ATOM 36 N TYR A 3 -4.199 3.443 -0.085 1.00 0.00 N +ATOM 37 CA TYR A 3 -3.520 2.704 0.978 1.00 0.00 C +ATOM 38 C TYR A 3 -3.955 1.233 1.067 1.00 0.00 C +ATOM 39 O TYR A 3 -3.129 0.359 1.321 1.00 0.00 O +ATOM 40 CB TYR A 3 -3.753 3.449 2.303 1.00 0.00 C +ATOM 41 CG TYR A 3 -2.583 3.372 3.262 1.00 0.00 C +ATOM 42 CD1 TYR A 3 -2.356 2.199 4.004 1.00 0.00 C +ATOM 43 CD2 TYR A 3 -1.718 4.476 3.408 1.00 0.00 C +ATOM 44 CE1 TYR A 3 -1.265 2.121 4.888 1.00 0.00 C +ATOM 45 CE2 TYR A 3 -0.634 4.408 4.303 1.00 0.00 C +ATOM 46 CZ TYR A 3 -0.399 3.225 5.036 1.00 0.00 C +ATOM 47 OH TYR A 3 0.654 3.151 5.892 1.00 0.00 O +ATOM 48 H TYR A 3 -4.531 4.367 0.144 1.00 0.00 H +ATOM 49 HA TYR A 3 -2.450 2.720 0.763 1.00 0.00 H +ATOM 50 HB2 TYR A 3 -3.942 4.482 2.082 1.00 0.00 H +ATOM 51 HB3 TYR A 3 -4.647 3.061 2.792 1.00 0.00 H +ATOM 52 HD1 TYR A 3 -3.021 1.359 3.886 1.00 0.00 H +ATOM 53 HD2 TYR A 3 -1.875 5.381 2.835 1.00 0.00 H +ATOM 54 HE1 TYR A 3 -1.080 1.223 5.456 1.00 0.00 H +ATOM 55 HE2 TYR A 3 0.025 5.255 4.425 1.00 0.00 H +ATOM 56 HH TYR A 3 0.402 3.418 6.779 1.00 0.00 H +ATOM 57 N ILE A 4 -5.239 0.944 0.809 1.00 0.00 N +ATOM 58 CA ILE A 4 -5.793 -0.418 0.803 1.00 0.00 C +ATOM 59 C ILE A 4 -5.137 -1.278 -0.294 1.00 0.00 C +ATOM 60 O ILE A 4 -4.777 -2.429 -0.051 1.00 0.00 O +ATOM 61 CB ILE A 4 -7.337 -0.377 0.654 1.00 0.00 C +ATOM 62 CG1 ILE A 4 -8.002 0.564 1.695 1.00 0.00 C +ATOM 63 CG2 ILE A 4 -7.933 -1.789 0.786 1.00 0.00 C +ATOM 64 CD1 ILE A 4 -8.600 1.821 1.047 1.00 0.00 C +ATOM 65 H ILE A 4 -5.855 1.722 0.628 1.00 0.00 H +ATOM 66 HA ILE A 4 -5.561 -0.884 1.762 1.00 0.00 H +ATOM 67 HB ILE A 4 -7.578 -0.019 -0.348 1.00 0.00 H +ATOM 68 HG12 ILE A 4 -8.786 0.027 2.194 1.00 0.00 H +ATOM 69 HG13 ILE A 4 -7.278 0.868 2.451 1.00 0.00 H +ATOM 70 HG21 ILE A 4 -7.587 -2.427 -0.028 1.00 0.00 H +ATOM 71 HG22 ILE A 4 -7.641 -2.235 1.738 1.00 0.00 H +ATOM 72 HG23 ILE A 4 -9.023 -1.740 0.735 1.00 0.00 H +ATOM 73 HD11 ILE A 4 -7.889 2.268 0.350 1.00 0.00 H +ATOM 74 HD12 ILE A 4 -9.514 1.556 0.511 1.00 0.00 H +ATOM 75 HD13 ILE A 4 -8.845 2.548 1.821 1.00 0.00 H +ATOM 76 N GLN A 5 -4.930 -0.702 -1.487 1.00 0.00 N +ATOM 77 CA GLN A 5 -4.240 -1.358 -2.602 1.00 0.00 C +ATOM 78 C GLN A 5 -2.757 -1.594 -2.286 1.00 0.00 C +ATOM 79 O GLN A 5 -2.238 -2.664 -2.596 1.00 0.00 O +ATOM 80 CB GLN A 5 -4.402 -0.514 -3.877 1.00 0.00 C +ATOM 81 CG GLN A 5 -5.825 -0.583 -4.457 1.00 0.00 C +ATOM 82 CD GLN A 5 -6.299 0.780 -4.949 1.00 0.00 C +ATOM 83 OE1 GLN A 5 -5.987 1.219 -6.043 1.00 0.00 O +ATOM 84 NE2 GLN A 5 -7.068 1.504 -4.156 1.00 0.00 N +ATOM 85 H GLN A 5 -5.142 0.280 -1.577 1.00 0.00 H +ATOM 86 HA GLN A 5 -4.690 -2.336 -2.774 1.00 0.00 H +ATOM 87 HB2 GLN A 5 -4.176 0.508 -3.643 1.00 0.00 H +ATOM 88 HB3 GLN A 5 -3.702 -0.864 -4.637 1.00 0.00 H +ATOM 89 HG2 GLN A 5 -5.832 -1.272 -5.280 1.00 0.00 H +ATOM 90 HG3 GLN A 5 -6.527 -0.953 -3.709 1.00 0.00 H +ATOM 91 HE21 GLN A 5 -7.405 1.166 -3.274 1.00 0.00 H +ATOM 92 HE22 GLN A 5 -7.384 2.362 -4.578 1.00 0.00 H +ATOM 93 N TRP A 6 -2.087 -0.635 -1.631 1.00 0.00 N +ATOM 94 CA TRP A 6 -0.718 -0.822 -1.137 1.00 0.00 C +ATOM 95 C TRP A 6 -0.625 -1.935 -0.078 1.00 0.00 C +ATOM 96 O TRP A 6 0.234 -2.811 -0.181 1.00 0.00 O +ATOM 97 CB TRP A 6 -0.169 0.510 -0.615 1.00 0.00 C +ATOM 98 CG TRP A 6 1.231 0.448 -0.086 1.00 0.00 C +ATOM 99 CD1 TRP A 6 2.357 0.390 -0.836 1.00 0.00 C +ATOM 100 CD2 TRP A 6 1.678 0.412 1.305 1.00 0.00 C +ATOM 101 NE1 TRP A 6 3.461 0.324 -0.009 1.00 0.00 N +ATOM 102 CE2 TRP A 6 3.102 0.345 1.317 1.00 0.00 C +ATOM 103 CE3 TRP A 6 1.032 0.434 2.562 1.00 0.00 C +ATOM 104 CZ2 TRP A 6 3.852 0.322 2.500 1.00 0.00 C +ATOM 105 CZ3 TRP A 6 1.773 0.390 3.759 1.00 0.00 C +ATOM 106 CH2 TRP A 6 3.179 0.343 3.732 1.00 0.00 C +ATOM 107 H TRP A 6 -2.569 0.238 -1.442 1.00 0.00 H +ATOM 108 HA TRP A 6 -0.091 -1.137 -1.973 1.00 0.00 H +ATOM 109 HB2 TRP A 6 -0.191 1.219 -1.420 1.00 0.00 H +ATOM 110 HB3 TRP A 6 -0.817 0.881 0.178 1.00 0.00 H +ATOM 111 HD1 TRP A 6 2.382 0.389 -1.919 1.00 0.00 H +ATOM 112 HE1 TRP A 6 4.439 0.289 -0.304 1.00 0.00 H +ATOM 113 HE3 TRP A 6 -0.045 0.494 2.594 1.00 0.00 H +ATOM 114 HZ2 TRP A 6 4.931 0.270 2.447 1.00 0.00 H +ATOM 115 HZ3 TRP A 6 1.262 0.416 4.711 1.00 0.00 H +ATOM 116 HH2 TRP A 6 3.741 0.324 4.655 1.00 0.00 H +ATOM 117 N LEU A 7 -1.535 -1.954 0.908 1.00 0.00 N +ATOM 118 CA LEU A 7 -1.599 -3.028 1.905 1.00 0.00 C +ATOM 119 C LEU A 7 -1.859 -4.404 1.277 1.00 0.00 C +ATOM 120 O LEU A 7 -1.246 -5.374 1.719 1.00 0.00 O +ATOM 121 CB LEU A 7 -2.653 -2.718 2.982 1.00 0.00 C +ATOM 122 CG LEU A 7 -2.238 -1.612 3.971 1.00 0.00 C +ATOM 123 CD1 LEU A 7 -3.451 -1.213 4.816 1.00 0.00 C +ATOM 124 CD2 LEU A 7 -1.124 -2.058 4.928 1.00 0.00 C +ATOM 125 H LEU A 7 -2.199 -1.184 0.968 1.00 0.00 H +ATOM 126 HA LEU A 7 -0.619 -3.101 2.378 1.00 0.00 H +ATOM 127 HB2 LEU A 7 -3.556 -2.409 2.491 1.00 0.00 H +ATOM 128 HB3 LEU A 7 -2.850 -3.627 3.553 1.00 0.00 H +ATOM 129 HG LEU A 7 -1.894 -0.741 3.419 1.00 0.00 H +ATOM 130 HD11 LEU A 7 -4.238 -0.826 4.169 1.00 0.00 H +ATOM 131 HD12 LEU A 7 -3.830 -2.080 5.360 1.00 0.00 H +ATOM 132 HD13 LEU A 7 -3.169 -0.442 5.533 1.00 0.00 H +ATOM 133 HD21 LEU A 7 -1.484 -2.855 5.579 1.00 0.00 H +ATOM 134 HD22 LEU A 7 -0.258 -2.415 4.373 1.00 0.00 H +ATOM 135 HD23 LEU A 7 -0.808 -1.215 5.538 1.00 0.00 H +ATOM 136 N LYS A 8 -2.699 -4.500 0.231 1.00 0.00 N +ATOM 137 CA LYS A 8 -2.961 -5.760 -0.490 1.00 0.00 C +ATOM 138 C LYS A 8 -1.682 -6.440 -0.992 1.00 0.00 C +ATOM 139 O LYS A 8 -1.618 -7.666 -1.015 1.00 0.00 O +ATOM 140 CB LYS A 8 -3.959 -5.521 -1.641 1.00 0.00 C +ATOM 141 CG LYS A 8 -4.419 -6.827 -2.322 1.00 0.00 C +ATOM 142 CD LYS A 8 -3.630 -7.226 -3.585 1.00 0.00 C +ATOM 143 CE LYS A 8 -4.103 -6.440 -4.814 1.00 0.00 C +ATOM 144 NZ LYS A 8 -3.568 -7.025 -6.066 1.00 0.00 N +ATOM 145 H LYS A 8 -3.215 -3.664 -0.036 1.00 0.00 H +ATOM 146 HA LYS A 8 -3.413 -6.457 0.217 1.00 0.00 H +ATOM 147 HB2 LYS A 8 -4.821 -5.019 -1.247 1.00 0.00 H +ATOM 148 HB3 LYS A 8 -3.524 -4.853 -2.384 1.00 0.00 H +ATOM 149 HG2 LYS A 8 -4.327 -7.623 -1.608 1.00 0.00 H +ATOM 150 HG3 LYS A 8 -5.470 -6.727 -2.593 1.00 0.00 H +ATOM 151 HD2 LYS A 8 -2.588 -7.026 -3.423 1.00 0.00 H +ATOM 152 HD3 LYS A 8 -3.798 -8.290 -3.759 1.00 0.00 H +ATOM 153 HE2 LYS A 8 -5.175 -6.459 -4.850 1.00 0.00 H +ATOM 154 HE3 LYS A 8 -3.782 -5.399 -4.713 1.00 0.00 H +ATOM 155 HZ1 LYS A 8 -2.555 -6.986 -6.067 1.00 0.00 H +ATOM 156 HZ2 LYS A 8 -3.851 -7.992 -6.145 1.00 0.00 H +ATOM 157 HZ3 LYS A 8 -3.914 -6.519 -6.870 1.00 0.00 H +ATOM 158 N ASP A 9 -0.674 -5.659 -1.382 1.00 0.00 N +ATOM 159 CA ASP A 9 0.615 -6.165 -1.853 1.00 0.00 C +ATOM 160 C ASP A 9 1.571 -6.567 -0.705 1.00 0.00 C +ATOM 161 O ASP A 9 2.686 -7.014 -0.969 1.00 0.00 O +ATOM 162 CB ASP A 9 1.231 -5.098 -2.777 1.00 0.00 C +ATOM 163 CG ASP A 9 2.189 -5.711 -3.799 1.00 0.00 C +ATOM 164 OD1 ASP A 9 1.663 -6.222 -4.813 1.00 0.00 O +ATOM 165 OD2 ASP A 9 3.416 -5.646 -3.568 1.00 0.00 O +ATOM 166 H ASP A 9 -0.796 -4.654 -1.332 1.00 0.00 H +ATOM 167 HA ASP A 9 0.438 -7.059 -2.454 1.00 0.00 H +ATOM 168 HB2 ASP A 9 0.441 -4.595 -3.301 1.00 0.00 H +ATOM 169 HB3 ASP A 9 1.736 -4.335 -2.183 1.00 0.00 H +ATOM 170 N GLY A 10 1.188 -6.375 0.570 1.00 0.00 N +ATOM 171 CA GLY A 10 2.022 -6.675 1.745 1.00 0.00 C +ATOM 172 C GLY A 10 2.601 -5.455 2.475 1.00 0.00 C +ATOM 173 O GLY A 10 3.441 -5.624 3.363 1.00 0.00 O +ATOM 174 H GLY A 10 0.253 -6.015 0.741 1.00 0.00 H +ATOM 175 HA2 GLY A 10 1.412 -7.227 2.460 1.00 0.00 H +ATOM 176 HA3 GLY A 10 2.853 -7.319 1.458 1.00 0.00 H +ATOM 177 N GLY A 11 2.171 -4.233 2.128 1.00 0.00 N +ATOM 178 CA GLY A 11 2.595 -2.981 2.757 1.00 0.00 C +ATOM 179 C GLY A 11 4.126 -2.821 2.820 1.00 0.00 C +ATOM 180 O GLY A 11 4.764 -2.728 1.772 1.00 0.00 O +ATOM 181 H GLY A 11 1.579 -4.166 1.309 1.00 0.00 H +ATOM 182 HA2 GLY A 11 2.194 -2.157 2.171 1.00 0.00 H +ATOM 183 HA3 GLY A 11 2.155 -2.927 3.750 1.00 0.00 H +ATOM 184 N PRO A 12 4.762 -2.798 4.014 1.00 0.00 N +ATOM 185 CA PRO A 12 6.222 -2.711 4.128 1.00 0.00 C +ATOM 186 C PRO A 12 6.985 -3.820 3.384 1.00 0.00 C +ATOM 187 O PRO A 12 8.141 -3.624 3.019 1.00 0.00 O +ATOM 188 CB PRO A 12 6.536 -2.771 5.628 1.00 0.00 C +ATOM 189 CG PRO A 12 5.232 -2.347 6.300 1.00 0.00 C +ATOM 190 CD PRO A 12 4.159 -2.854 5.339 1.00 0.00 C +ATOM 191 HA PRO A 12 6.541 -1.745 3.735 1.00 0.00 H +ATOM 192 HB2 PRO A 12 6.809 -3.767 5.920 1.00 0.00 H +ATOM 193 HB3 PRO A 12 7.357 -2.104 5.890 1.00 0.00 H +ATOM 194 HG2 PRO A 12 5.131 -2.805 7.265 1.00 0.00 H +ATOM 195 HG3 PRO A 12 5.189 -1.259 6.357 1.00 0.00 H +ATOM 196 HD2 PRO A 12 3.884 -3.862 5.583 1.00 0.00 H +ATOM 197 HD3 PRO A 12 3.274 -2.223 5.414 1.00 0.00 H +ATOM 198 N SER A 13 6.349 -4.977 3.147 1.00 0.00 N +ATOM 199 CA SER A 13 6.954 -6.124 2.463 1.00 0.00 C +ATOM 200 C SER A 13 6.833 -6.062 0.928 1.00 0.00 C +ATOM 201 O SER A 13 7.261 -6.986 0.242 1.00 0.00 O +ATOM 202 CB SER A 13 6.368 -7.420 3.048 1.00 0.00 C +ATOM 203 OG SER A 13 7.404 -8.335 3.350 1.00 0.00 O +ATOM 204 H SER A 13 5.372 -5.058 3.425 1.00 0.00 H +ATOM 205 HA SER A 13 8.023 -6.116 2.682 1.00 0.00 H +ATOM 206 HB2 SER A 13 5.826 -7.190 3.945 1.00 0.00 H +ATOM 207 HB3 SER A 13 5.665 -7.873 2.347 1.00 0.00 H +ATOM 208 HG SER A 13 7.993 -7.938 3.997 1.00 0.00 H +ATOM 209 N SER A 14 6.285 -4.971 0.375 1.00 0.00 N +ATOM 210 CA SER A 14 5.996 -4.784 -1.057 1.00 0.00 C +ATOM 211 C SER A 14 7.108 -4.082 -1.850 1.00 0.00 C +ATOM 212 O SER A 14 6.920 -3.757 -3.019 1.00 0.00 O +ATOM 213 CB SER A 14 4.711 -3.968 -1.193 1.00 0.00 C +ATOM 214 OG SER A 14 3.682 -4.612 -0.483 1.00 0.00 O +ATOM 215 H SER A 14 5.894 -4.268 0.998 1.00 0.00 H +ATOM 216 HA SER A 14 5.825 -5.757 -1.521 1.00 0.00 H +ATOM 217 HB2 SER A 14 4.865 -2.985 -0.791 1.00 0.00 H +ATOM 218 HB3 SER A 14 4.431 -3.871 -2.241 1.00 0.00 H +ATOM 219 HG SER A 14 3.520 -5.494 -0.884 1.00 0.00 H +ATOM 220 N GLY A 15 8.256 -3.783 -1.226 1.00 0.00 N +ATOM 221 CA GLY A 15 9.384 -3.115 -1.892 1.00 0.00 C +ATOM 222 C GLY A 15 9.136 -1.644 -2.261 1.00 0.00 C +ATOM 223 O GLY A 15 9.906 -1.080 -3.037 1.00 0.00 O +ATOM 224 H GLY A 15 8.354 -4.097 -0.270 1.00 0.00 H +ATOM 225 HA2 GLY A 15 10.260 -3.161 -1.246 1.00 0.00 H +ATOM 226 HA3 GLY A 15 9.616 -3.654 -2.812 1.00 0.00 H +ATOM 227 N ARG A 16 8.071 -1.022 -1.733 1.00 0.00 N +ATOM 228 CA ARG A 16 7.620 0.333 -2.073 1.00 0.00 C +ATOM 229 C ARG A 16 7.039 1.042 -0.836 1.00 0.00 C +ATOM 230 O ARG A 16 6.265 0.407 -0.118 1.00 0.00 O +ATOM 231 CB ARG A 16 6.558 0.205 -3.182 1.00 0.00 C +ATOM 232 CG ARG A 16 6.146 1.562 -3.766 1.00 0.00 C +ATOM 233 CD ARG A 16 5.085 1.404 -4.861 1.00 0.00 C +ATOM 234 NE ARG A 16 5.279 2.408 -5.922 1.00 0.00 N +ATOM 235 CZ ARG A 16 4.427 2.749 -6.879 1.00 0.00 C +ATOM 236 NH1 ARG A 16 3.214 2.253 -6.941 1.00 0.00 N +ATOM 237 NH2 ARG A 16 4.794 3.604 -7.805 1.00 0.00 N +ATOM 238 H ARG A 16 7.498 -1.558 -1.093 1.00 0.00 H +ATOM 239 HA ARG A 16 8.474 0.889 -2.457 1.00 0.00 H +ATOM 240 HB2 ARG A 16 6.958 -0.402 -3.972 1.00 0.00 H +ATOM 241 HB3 ARG A 16 5.678 -0.308 -2.787 1.00 0.00 H +ATOM 242 HG2 ARG A 16 5.747 2.173 -2.980 1.00 0.00 H +ATOM 243 HG3 ARG A 16 7.035 2.033 -4.183 1.00 0.00 H +ATOM 244 HD2 ARG A 16 5.162 0.422 -5.287 1.00 0.00 H +ATOM 245 HD3 ARG A 16 4.099 1.511 -4.406 1.00 0.00 H +ATOM 246 HE ARG A 16 6.183 2.845 -5.952 1.00 0.00 H +ATOM 247 HH11 ARG A 16 2.943 1.589 -6.236 1.00 0.00 H +ATOM 248 HH12 ARG A 16 2.578 2.515 -7.670 1.00 0.00 H +ATOM 249 HH21 ARG A 16 5.722 3.990 -7.801 1.00 0.00 H +ATOM 250 HH22 ARG A 16 4.153 3.860 -8.532 1.00 0.00 H +ATOM 251 N PRO A 17 7.339 2.336 -0.597 1.00 0.00 N +ATOM 252 CA PRO A 17 6.761 3.096 0.517 1.00 0.00 C +ATOM 253 C PRO A 17 5.236 3.291 0.376 1.00 0.00 C +ATOM 254 O PRO A 17 4.700 3.157 -0.728 1.00 0.00 O +ATOM 255 CB PRO A 17 7.502 4.441 0.515 1.00 0.00 C +ATOM 256 CG PRO A 17 7.925 4.615 -0.941 1.00 0.00 C +ATOM 257 CD PRO A 17 8.240 3.185 -1.367 1.00 0.00 C +ATOM 258 HA PRO A 17 6.966 2.571 1.450 1.00 0.00 H +ATOM 259 HB2 PRO A 17 6.852 5.237 0.823 1.00 0.00 H +ATOM 260 HB3 PRO A 17 8.390 4.367 1.144 1.00 0.00 H +ATOM 261 HG2 PRO A 17 7.129 5.028 -1.529 1.00 0.00 H +ATOM 262 HG3 PRO A 17 8.791 5.270 -1.039 1.00 0.00 H +ATOM 263 HD2 PRO A 17 8.064 3.060 -2.418 1.00 0.00 H +ATOM 264 HD3 PRO A 17 9.272 2.943 -1.108 1.00 0.00 H +ATOM 265 N PRO A 18 4.530 3.634 1.472 1.00 0.00 N +ATOM 266 CA PRO A 18 3.086 3.848 1.449 1.00 0.00 C +ATOM 267 C PRO A 18 2.698 5.104 0.650 1.00 0.00 C +ATOM 268 O PRO A 18 3.420 6.101 0.687 1.00 0.00 O +ATOM 269 CB PRO A 18 2.662 3.983 2.913 1.00 0.00 C +ATOM 270 CG PRO A 18 3.925 4.461 3.623 1.00 0.00 C +ATOM 271 CD PRO A 18 5.046 3.799 2.825 1.00 0.00 C +ATOM 272 HA PRO A 18 2.610 2.974 1.015 1.00 0.00 H +ATOM 273 HB2 PRO A 18 1.872 4.701 3.016 1.00 0.00 H +ATOM 274 HB3 PRO A 18 2.373 3.010 3.303 1.00 0.00 H +ATOM 275 HG2 PRO A 18 4.006 5.530 3.586 1.00 0.00 H +ATOM 276 HG3 PRO A 18 3.940 4.157 4.670 1.00 0.00 H +ATOM 277 HD2 PRO A 18 5.918 4.424 2.818 1.00 0.00 H +ATOM 278 HD3 PRO A 18 5.270 2.821 3.248 1.00 0.00 H +ATOM 279 N PRO A 19 1.537 5.098 -0.033 1.00 0.00 N +ATOM 280 CA PRO A 19 1.010 6.280 -0.696 1.00 0.00 C +ATOM 281 C PRO A 19 0.436 7.257 0.342 1.00 0.00 C +ATOM 282 O PRO A 19 -0.227 6.870 1.309 1.00 0.00 O +ATOM 283 CB PRO A 19 -0.043 5.743 -1.671 1.00 0.00 C +ATOM 284 CG PRO A 19 -0.579 4.494 -0.969 1.00 0.00 C +ATOM 285 CD PRO A 19 0.631 3.970 -0.196 1.00 0.00 C +ATOM 286 HA PRO A 19 1.802 6.778 -1.258 1.00 0.00 H +ATOM 287 HB2 PRO A 19 -0.825 6.462 -1.825 1.00 0.00 H +ATOM 288 HB3 PRO A 19 0.453 5.447 -2.598 1.00 0.00 H +ATOM 289 HG2 PRO A 19 -1.381 4.744 -0.302 1.00 0.00 H +ATOM 290 HG3 PRO A 19 -0.944 3.756 -1.684 1.00 0.00 H +ATOM 291 HD2 PRO A 19 0.326 3.598 0.763 1.00 0.00 H +ATOM 292 HD3 PRO A 19 1.130 3.194 -0.777 1.00 0.00 H +ATOM 293 N SER A 20 0.706 8.552 0.169 1.00 0.00 N +ATOM 294 CA SER A 20 0.162 9.640 0.988 1.00 0.00 C +ATOM 295 C SER A 20 -0.066 10.872 0.126 1.00 0.00 C +ATOM 296 O SER A 20 0.918 11.303 -0.513 1.00 0.00 O +ATOM 297 CB SER A 20 1.092 9.931 2.166 1.00 0.00 C +ATOM 298 OG SER A 20 1.001 8.805 3.014 1.00 0.00 O +ATOM 299 OXT SER A 20 -1.239 11.304 0.086 1.00 0.00 O +ATOM 300 H SER A 20 1.318 8.846 -0.582 1.00 0.00 H +ATOM 301 HA SER A 20 -0.816 9.367 1.381 1.00 0.00 H +ATOM 302 HB2 SER A 20 2.100 10.060 1.823 1.00 0.00 H +ATOM 303 HB3 SER A 20 0.767 10.828 2.696 1.00 0.00 H +ATOM 304 HG SER A 20 0.609 8.093 2.479 1.00 0.00 H +TER 305 SER A 20 +ENDMDL +MODEL 19 +ATOM 1 N ASN A 1 -4.711 8.428 -0.250 1.00 0.00 N +ATOM 2 CA ASN A 1 -5.482 7.459 -1.069 1.00 0.00 C +ATOM 3 C ASN A 1 -4.637 6.216 -1.384 1.00 0.00 C +ATOM 4 O ASN A 1 -3.508 6.151 -0.914 1.00 0.00 O +ATOM 5 CB ASN A 1 -6.058 8.123 -2.332 1.00 0.00 C +ATOM 6 CG ASN A 1 -7.308 7.368 -2.763 1.00 0.00 C +ATOM 7 OD1 ASN A 1 -8.229 7.219 -1.982 1.00 0.00 O +ATOM 8 ND2 ASN A 1 -7.347 6.788 -3.948 1.00 0.00 N +ATOM 9 H1 ASN A 1 -4.276 7.945 0.525 1.00 0.00 H +ATOM 10 H2 ASN A 1 -3.969 8.859 -0.792 1.00 0.00 H +ATOM 11 H3 ASN A 1 -5.313 9.159 0.105 1.00 0.00 H +ATOM 12 HA ASN A 1 -6.326 7.121 -0.463 1.00 0.00 H +ATOM 13 HB2 ASN A 1 -6.310 9.144 -2.119 1.00 0.00 H +ATOM 14 HB3 ASN A 1 -5.314 8.139 -3.131 1.00 0.00 H +ATOM 15 HD21 ASN A 1 -6.635 6.892 -4.653 1.00 0.00 H +ATOM 16 HD22 ASN A 1 -8.230 6.344 -4.151 1.00 0.00 H +ATOM 17 N LEU A 2 -5.165 5.225 -2.127 1.00 0.00 N +ATOM 18 CA LEU A 2 -4.498 3.973 -2.561 1.00 0.00 C +ATOM 19 C LEU A 2 -3.959 3.039 -1.451 1.00 0.00 C +ATOM 20 O LEU A 2 -3.474 1.944 -1.745 1.00 0.00 O +ATOM 21 CB LEU A 2 -3.435 4.298 -3.639 1.00 0.00 C +ATOM 22 CG LEU A 2 -4.002 4.275 -5.079 1.00 0.00 C +ATOM 23 CD1 LEU A 2 -3.796 5.613 -5.794 1.00 0.00 C +ATOM 24 CD2 LEU A 2 -3.342 3.164 -5.900 1.00 0.00 C +ATOM 25 H LEU A 2 -6.111 5.349 -2.465 1.00 0.00 H +ATOM 26 HA LEU A 2 -5.264 3.362 -3.041 1.00 0.00 H +ATOM 27 HB2 LEU A 2 -3.039 5.276 -3.444 1.00 0.00 H +ATOM 28 HB3 LEU A 2 -2.623 3.573 -3.570 1.00 0.00 H +ATOM 29 HG LEU A 2 -5.074 4.082 -5.054 1.00 0.00 H +ATOM 30 HD11 LEU A 2 -4.302 6.407 -5.250 1.00 0.00 H +ATOM 31 HD12 LEU A 2 -2.731 5.843 -5.862 1.00 0.00 H +ATOM 32 HD13 LEU A 2 -4.209 5.556 -6.802 1.00 0.00 H +ATOM 33 HD21 LEU A 2 -2.271 3.350 -5.990 1.00 0.00 H +ATOM 34 HD22 LEU A 2 -3.499 2.202 -5.413 1.00 0.00 H +ATOM 35 HD23 LEU A 2 -3.782 3.126 -6.897 1.00 0.00 H +ATOM 36 N TYR A 3 -4.101 3.418 -0.179 1.00 0.00 N +ATOM 37 CA TYR A 3 -3.547 2.721 0.982 1.00 0.00 C +ATOM 38 C TYR A 3 -4.035 1.268 1.120 1.00 0.00 C +ATOM 39 O TYR A 3 -3.246 0.381 1.446 1.00 0.00 O +ATOM 40 CB TYR A 3 -3.866 3.547 2.234 1.00 0.00 C +ATOM 41 CG TYR A 3 -2.864 3.337 3.348 1.00 0.00 C +ATOM 42 CD1 TYR A 3 -1.722 4.158 3.414 1.00 0.00 C +ATOM 43 CD2 TYR A 3 -3.059 2.315 4.297 1.00 0.00 C +ATOM 44 CE1 TYR A 3 -0.764 3.952 4.424 1.00 0.00 C +ATOM 45 CE2 TYR A 3 -2.106 2.111 5.311 1.00 0.00 C +ATOM 46 CZ TYR A 3 -0.953 2.921 5.370 1.00 0.00 C +ATOM 47 OH TYR A 3 -0.015 2.685 6.326 1.00 0.00 O +ATOM 48 H TYR A 3 -4.435 4.356 -0.036 1.00 0.00 H +ATOM 49 HA TYR A 3 -2.464 2.693 0.862 1.00 0.00 H +ATOM 50 HB2 TYR A 3 -3.869 4.586 1.967 1.00 0.00 H +ATOM 51 HB3 TYR A 3 -4.870 3.311 2.589 1.00 0.00 H +ATOM 52 HD1 TYR A 3 -1.570 4.949 2.689 1.00 0.00 H +ATOM 53 HD2 TYR A 3 -3.934 1.680 4.247 1.00 0.00 H +ATOM 54 HE1 TYR A 3 0.103 4.591 4.475 1.00 0.00 H +ATOM 55 HE2 TYR A 3 -2.233 1.337 6.051 1.00 0.00 H +ATOM 56 HH TYR A 3 0.804 3.144 6.139 1.00 0.00 H +ATOM 57 N ILE A 4 -5.316 1.007 0.820 1.00 0.00 N +ATOM 58 CA ILE A 4 -5.898 -0.342 0.812 1.00 0.00 C +ATOM 59 C ILE A 4 -5.161 -1.235 -0.200 1.00 0.00 C +ATOM 60 O ILE A 4 -4.707 -2.324 0.147 1.00 0.00 O +ATOM 61 CB ILE A 4 -7.424 -0.311 0.536 1.00 0.00 C +ATOM 62 CG1 ILE A 4 -8.202 0.658 1.464 1.00 0.00 C +ATOM 63 CG2 ILE A 4 -8.008 -1.726 0.703 1.00 0.00 C +ATOM 64 CD1 ILE A 4 -8.481 2.022 0.816 1.00 0.00 C +ATOM 65 H ILE A 4 -5.901 1.792 0.575 1.00 0.00 H +ATOM 66 HA ILE A 4 -5.743 -0.778 1.800 1.00 0.00 H +ATOM 67 HB ILE A 4 -7.593 -0.010 -0.501 1.00 0.00 H +ATOM 68 HG12 ILE A 4 -9.140 0.204 1.722 1.00 0.00 H +ATOM 69 HG13 ILE A 4 -7.659 0.801 2.399 1.00 0.00 H +ATOM 70 HG21 ILE A 4 -7.552 -2.414 -0.005 1.00 0.00 H +ATOM 71 HG22 ILE A 4 -7.831 -2.089 1.719 1.00 0.00 H +ATOM 72 HG23 ILE A 4 -9.082 -1.713 0.513 1.00 0.00 H +ATOM 73 HD11 ILE A 4 -7.555 2.566 0.645 1.00 0.00 H +ATOM 74 HD12 ILE A 4 -9.003 1.881 -0.131 1.00 0.00 H +ATOM 75 HD13 ILE A 4 -9.118 2.609 1.477 1.00 0.00 H +ATOM 76 N GLN A 5 -5.005 -0.767 -1.445 1.00 0.00 N +ATOM 77 CA GLN A 5 -4.266 -1.471 -2.496 1.00 0.00 C +ATOM 78 C GLN A 5 -2.794 -1.703 -2.131 1.00 0.00 C +ATOM 79 O GLN A 5 -2.290 -2.798 -2.375 1.00 0.00 O +ATOM 80 CB GLN A 5 -4.404 -0.714 -3.831 1.00 0.00 C +ATOM 81 CG GLN A 5 -5.577 -1.242 -4.674 1.00 0.00 C +ATOM 82 CD GLN A 5 -5.172 -2.342 -5.657 1.00 0.00 C +ATOM 83 OE1 GLN A 5 -5.444 -2.266 -6.841 1.00 0.00 O +ATOM 84 NE2 GLN A 5 -4.511 -3.407 -5.235 1.00 0.00 N +ATOM 85 H GLN A 5 -5.339 0.164 -1.640 1.00 0.00 H +ATOM 86 HA GLN A 5 -4.705 -2.459 -2.606 1.00 0.00 H +ATOM 87 HB2 GLN A 5 -4.567 0.326 -3.624 1.00 0.00 H +ATOM 88 HB3 GLN A 5 -3.485 -0.802 -4.412 1.00 0.00 H +ATOM 89 HG2 GLN A 5 -6.322 -1.636 -4.010 1.00 0.00 H +ATOM 90 HG3 GLN A 5 -5.980 -0.410 -5.253 1.00 0.00 H +ATOM 91 HE21 GLN A 5 -4.079 -3.463 -4.327 1.00 0.00 H +ATOM 92 HE22 GLN A 5 -4.196 -3.952 -6.023 1.00 0.00 H +ATOM 93 N TRP A 6 -2.131 -0.715 -1.517 1.00 0.00 N +ATOM 94 CA TRP A 6 -0.771 -0.866 -0.989 1.00 0.00 C +ATOM 95 C TRP A 6 -0.676 -1.954 0.096 1.00 0.00 C +ATOM 96 O TRP A 6 0.217 -2.804 0.034 1.00 0.00 O +ATOM 97 CB TRP A 6 -0.278 0.492 -0.481 1.00 0.00 C +ATOM 98 CG TRP A 6 1.076 0.483 0.156 1.00 0.00 C +ATOM 99 CD1 TRP A 6 2.258 0.449 -0.500 1.00 0.00 C +ATOM 100 CD2 TRP A 6 1.409 0.516 1.577 1.00 0.00 C +ATOM 101 NE1 TRP A 6 3.295 0.438 0.415 1.00 0.00 N +ATOM 102 CE2 TRP A 6 2.830 0.499 1.706 1.00 0.00 C +ATOM 103 CE3 TRP A 6 0.660 0.554 2.771 1.00 0.00 C +ATOM 104 CZ2 TRP A 6 3.479 0.537 2.947 1.00 0.00 C +ATOM 105 CZ3 TRP A 6 1.299 0.565 4.026 1.00 0.00 C +ATOM 106 CH2 TRP A 6 2.703 0.571 4.116 1.00 0.00 C +ATOM 107 H TRP A 6 -2.609 0.176 -1.403 1.00 0.00 H +ATOM 108 HA TRP A 6 -0.117 -1.181 -1.802 1.00 0.00 H +ATOM 109 HB2 TRP A 6 -0.248 1.167 -1.315 1.00 0.00 H +ATOM 110 HB3 TRP A 6 -0.989 0.883 0.245 1.00 0.00 H +ATOM 111 HD1 TRP A 6 2.367 0.437 -1.575 1.00 0.00 H +ATOM 112 HE1 TRP A 6 4.290 0.412 0.180 1.00 0.00 H +ATOM 113 HE3 TRP A 6 -0.419 0.574 2.716 1.00 0.00 H +ATOM 114 HZ2 TRP A 6 4.558 0.526 2.988 1.00 0.00 H +ATOM 115 HZ3 TRP A 6 0.705 0.572 4.929 1.00 0.00 H +ATOM 116 HH2 TRP A 6 3.181 0.592 5.084 1.00 0.00 H +ATOM 117 N LEU A 7 -1.612 -1.982 1.056 1.00 0.00 N +ATOM 118 CA LEU A 7 -1.688 -3.061 2.044 1.00 0.00 C +ATOM 119 C LEU A 7 -1.950 -4.430 1.398 1.00 0.00 C +ATOM 120 O LEU A 7 -1.263 -5.384 1.758 1.00 0.00 O +ATOM 121 CB LEU A 7 -2.739 -2.752 3.125 1.00 0.00 C +ATOM 122 CG LEU A 7 -2.322 -1.677 4.150 1.00 0.00 C +ATOM 123 CD1 LEU A 7 -3.497 -1.435 5.104 1.00 0.00 C +ATOM 124 CD2 LEU A 7 -1.106 -2.095 4.988 1.00 0.00 C +ATOM 125 H LEU A 7 -2.302 -1.233 1.088 1.00 0.00 H +ATOM 126 HA LEU A 7 -0.712 -3.148 2.521 1.00 0.00 H +ATOM 127 HB2 LEU A 7 -3.632 -2.416 2.635 1.00 0.00 H +ATOM 128 HB3 LEU A 7 -2.947 -3.672 3.673 1.00 0.00 H +ATOM 129 HG LEU A 7 -2.094 -0.746 3.637 1.00 0.00 H +ATOM 130 HD11 LEU A 7 -4.353 -1.060 4.542 1.00 0.00 H +ATOM 131 HD12 LEU A 7 -3.770 -2.364 5.605 1.00 0.00 H +ATOM 132 HD13 LEU A 7 -3.222 -0.700 5.856 1.00 0.00 H +ATOM 133 HD21 LEU A 7 -1.285 -3.061 5.457 1.00 0.00 H +ATOM 134 HD22 LEU A 7 -0.217 -2.154 4.362 1.00 0.00 H +ATOM 135 HD23 LEU A 7 -0.919 -1.351 5.762 1.00 0.00 H +ATOM 136 N LYS A 8 -2.879 -4.534 0.430 1.00 0.00 N +ATOM 137 CA LYS A 8 -3.176 -5.792 -0.293 1.00 0.00 C +ATOM 138 C LYS A 8 -1.940 -6.427 -0.932 1.00 0.00 C +ATOM 139 O LYS A 8 -1.861 -7.649 -0.988 1.00 0.00 O +ATOM 140 CB LYS A 8 -4.234 -5.580 -1.389 1.00 0.00 C +ATOM 141 CG LYS A 8 -5.650 -5.363 -0.841 1.00 0.00 C +ATOM 142 CD LYS A 8 -6.641 -4.855 -1.906 1.00 0.00 C +ATOM 143 CE LYS A 8 -7.271 -5.959 -2.767 1.00 0.00 C +ATOM 144 NZ LYS A 8 -6.386 -6.423 -3.863 1.00 0.00 N +ATOM 145 H LYS A 8 -3.427 -3.700 0.224 1.00 0.00 H +ATOM 146 HA LYS A 8 -3.550 -6.525 0.424 1.00 0.00 H +ATOM 147 HB2 LYS A 8 -3.957 -4.718 -1.966 1.00 0.00 H +ATOM 148 HB3 LYS A 8 -4.252 -6.467 -2.023 1.00 0.00 H +ATOM 149 HG2 LYS A 8 -6.013 -6.296 -0.455 1.00 0.00 H +ATOM 150 HG3 LYS A 8 -5.609 -4.626 -0.042 1.00 0.00 H +ATOM 151 HD2 LYS A 8 -7.431 -4.329 -1.405 1.00 0.00 H +ATOM 152 HD3 LYS A 8 -6.171 -4.105 -2.541 1.00 0.00 H +ATOM 153 HE2 LYS A 8 -7.499 -6.796 -2.135 1.00 0.00 H +ATOM 154 HE3 LYS A 8 -8.193 -5.560 -3.199 1.00 0.00 H +ATOM 155 HZ1 LYS A 8 -6.162 -5.656 -4.484 1.00 0.00 H +ATOM 156 HZ2 LYS A 8 -5.528 -6.807 -3.488 1.00 0.00 H +ATOM 157 HZ3 LYS A 8 -6.850 -7.145 -4.401 1.00 0.00 H +ATOM 158 N ASP A 9 -1.006 -5.612 -1.428 1.00 0.00 N +ATOM 159 CA ASP A 9 0.249 -6.089 -2.012 1.00 0.00 C +ATOM 160 C ASP A 9 1.195 -6.700 -0.957 1.00 0.00 C +ATOM 161 O ASP A 9 1.906 -7.655 -1.257 1.00 0.00 O +ATOM 162 CB ASP A 9 0.908 -4.913 -2.751 1.00 0.00 C +ATOM 163 CG ASP A 9 1.926 -5.376 -3.792 1.00 0.00 C +ATOM 164 OD1 ASP A 9 3.079 -5.637 -3.380 1.00 0.00 O +ATOM 165 OD2 ASP A 9 1.557 -5.417 -4.986 1.00 0.00 O +ATOM 166 H ASP A 9 -1.181 -4.614 -1.403 1.00 0.00 H +ATOM 167 HA ASP A 9 0.021 -6.868 -2.743 1.00 0.00 H +ATOM 168 HB2 ASP A 9 0.144 -4.345 -3.245 1.00 0.00 H +ATOM 169 HB3 ASP A 9 1.399 -4.255 -2.030 1.00 0.00 H +ATOM 170 N GLY A 10 1.167 -6.180 0.281 1.00 0.00 N +ATOM 171 CA GLY A 10 2.093 -6.534 1.364 1.00 0.00 C +ATOM 172 C GLY A 10 2.641 -5.339 2.162 1.00 0.00 C +ATOM 173 O GLY A 10 3.484 -5.529 3.044 1.00 0.00 O +ATOM 174 H GLY A 10 0.409 -5.539 0.486 1.00 0.00 H +ATOM 175 HA2 GLY A 10 1.576 -7.194 2.060 1.00 0.00 H +ATOM 176 HA3 GLY A 10 2.946 -7.076 0.955 1.00 0.00 H +ATOM 177 N GLY A 11 2.182 -4.110 1.882 1.00 0.00 N +ATOM 178 CA GLY A 11 2.599 -2.906 2.599 1.00 0.00 C +ATOM 179 C GLY A 11 4.124 -2.698 2.547 1.00 0.00 C +ATOM 180 O GLY A 11 4.696 -2.700 1.453 1.00 0.00 O +ATOM 181 H GLY A 11 1.532 -3.983 1.113 1.00 0.00 H +ATOM 182 HA2 GLY A 11 2.116 -2.047 2.140 1.00 0.00 H +ATOM 183 HA3 GLY A 11 2.249 -2.984 3.627 1.00 0.00 H +ATOM 184 N PRO A 12 4.822 -2.540 3.693 1.00 0.00 N +ATOM 185 CA PRO A 12 6.282 -2.419 3.719 1.00 0.00 C +ATOM 186 C PRO A 12 7.024 -3.621 3.110 1.00 0.00 C +ATOM 187 O PRO A 12 8.145 -3.463 2.631 1.00 0.00 O +ATOM 188 CB PRO A 12 6.668 -2.252 5.194 1.00 0.00 C +ATOM 189 CG PRO A 12 5.381 -1.788 5.872 1.00 0.00 C +ATOM 190 CD PRO A 12 4.292 -2.472 5.049 1.00 0.00 C +ATOM 191 HA PRO A 12 6.564 -1.518 3.171 1.00 0.00 H +ATOM 192 HB2 PRO A 12 7.000 -3.185 5.608 1.00 0.00 H +ATOM 193 HB3 PRO A 12 7.469 -1.522 5.318 1.00 0.00 H +ATOM 194 HG2 PRO A 12 5.348 -2.107 6.896 1.00 0.00 H +ATOM 195 HG3 PRO A 12 5.287 -0.705 5.777 1.00 0.00 H +ATOM 196 HD2 PRO A 12 4.098 -3.457 5.427 1.00 0.00 H +ATOM 197 HD3 PRO A 12 3.371 -1.895 5.104 1.00 0.00 H +ATOM 198 N SER A 13 6.411 -4.816 3.098 1.00 0.00 N +ATOM 199 CA SER A 13 7.038 -6.057 2.614 1.00 0.00 C +ATOM 200 C SER A 13 7.028 -6.197 1.080 1.00 0.00 C +ATOM 201 O SER A 13 7.416 -7.241 0.562 1.00 0.00 O +ATOM 202 CB SER A 13 6.390 -7.277 3.283 1.00 0.00 C +ATOM 203 OG SER A 13 6.567 -7.211 4.686 1.00 0.00 O +ATOM 204 H SER A 13 5.434 -4.862 3.375 1.00 0.00 H +ATOM 205 HA SER A 13 8.085 -6.051 2.913 1.00 0.00 H +ATOM 206 HB2 SER A 13 5.341 -7.291 3.057 1.00 0.00 H +ATOM 207 HB3 SER A 13 6.867 -8.188 2.919 1.00 0.00 H +ATOM 208 HG SER A 13 6.098 -6.440 5.015 1.00 0.00 H +ATOM 209 N SER A 14 6.620 -5.147 0.358 1.00 0.00 N +ATOM 210 CA SER A 14 6.465 -5.116 -1.104 1.00 0.00 C +ATOM 211 C SER A 14 7.520 -4.277 -1.839 1.00 0.00 C +ATOM 212 O SER A 14 7.383 -4.035 -3.039 1.00 0.00 O +ATOM 213 CB SER A 14 5.072 -4.582 -1.431 1.00 0.00 C +ATOM 214 OG SER A 14 4.112 -5.580 -1.231 1.00 0.00 O +ATOM 215 H SER A 14 6.276 -4.349 0.876 1.00 0.00 H +ATOM 216 HA SER A 14 6.531 -6.130 -1.502 1.00 0.00 H +ATOM 217 HB2 SER A 14 4.854 -3.747 -0.793 1.00 0.00 H +ATOM 218 HB3 SER A 14 5.022 -4.287 -2.477 1.00 0.00 H +ATOM 219 HG SER A 14 3.651 -5.690 -2.148 1.00 0.00 H +ATOM 220 N GLY A 15 8.549 -3.780 -1.139 1.00 0.00 N +ATOM 221 CA GLY A 15 9.587 -2.933 -1.741 1.00 0.00 C +ATOM 222 C GLY A 15 9.096 -1.536 -2.151 1.00 0.00 C +ATOM 223 O GLY A 15 9.726 -0.894 -2.987 1.00 0.00 O +ATOM 224 H GLY A 15 8.618 -4.033 -0.161 1.00 0.00 H +ATOM 225 HA2 GLY A 15 10.410 -2.813 -1.039 1.00 0.00 H +ATOM 226 HA3 GLY A 15 9.975 -3.426 -2.634 1.00 0.00 H +ATOM 227 N ARG A 16 7.969 -1.073 -1.587 1.00 0.00 N +ATOM 228 CA ARG A 16 7.285 0.177 -1.944 1.00 0.00 C +ATOM 229 C ARG A 16 6.807 0.935 -0.691 1.00 0.00 C +ATOM 230 O ARG A 16 6.125 0.336 0.145 1.00 0.00 O +ATOM 231 CB ARG A 16 6.131 -0.110 -2.930 1.00 0.00 C +ATOM 232 CG ARG A 16 5.136 -1.187 -2.454 1.00 0.00 C +ATOM 233 CD ARG A 16 3.995 -1.438 -3.443 1.00 0.00 C +ATOM 234 NE ARG A 16 4.473 -2.075 -4.685 1.00 0.00 N +ATOM 235 CZ ARG A 16 4.016 -1.881 -5.916 1.00 0.00 C +ATOM 236 NH1 ARG A 16 3.041 -1.038 -6.174 1.00 0.00 N +ATOM 237 NH2 ARG A 16 4.543 -2.530 -6.926 1.00 0.00 N +ATOM 238 H ARG A 16 7.539 -1.660 -0.885 1.00 0.00 H +ATOM 239 HA ARG A 16 8.004 0.797 -2.475 1.00 0.00 H +ATOM 240 HB2 ARG A 16 5.588 0.802 -3.085 1.00 0.00 H +ATOM 241 HB3 ARG A 16 6.569 -0.435 -3.874 1.00 0.00 H +ATOM 242 HG2 ARG A 16 5.671 -2.106 -2.312 1.00 0.00 H +ATOM 243 HG3 ARG A 16 4.696 -0.891 -1.507 1.00 0.00 H +ATOM 244 HD2 ARG A 16 3.270 -2.080 -2.981 1.00 0.00 H +ATOM 245 HD3 ARG A 16 3.510 -0.485 -3.654 1.00 0.00 H +ATOM 246 HE ARG A 16 5.199 -2.769 -4.574 1.00 0.00 H +ATOM 247 HH11 ARG A 16 2.612 -0.568 -5.400 1.00 0.00 H +ATOM 248 HH12 ARG A 16 2.697 -0.911 -7.106 1.00 0.00 H +ATOM 249 HH21 ARG A 16 5.261 -3.213 -6.759 1.00 0.00 H +ATOM 250 HH22 ARG A 16 4.184 -2.398 -7.852 1.00 0.00 H +ATOM 251 N PRO A 17 7.131 2.235 -0.537 1.00 0.00 N +ATOM 252 CA PRO A 17 6.706 3.032 0.616 1.00 0.00 C +ATOM 253 C PRO A 17 5.183 3.290 0.607 1.00 0.00 C +ATOM 254 O PRO A 17 4.540 3.099 -0.429 1.00 0.00 O +ATOM 255 CB PRO A 17 7.514 4.332 0.509 1.00 0.00 C +ATOM 256 CG PRO A 17 7.726 4.499 -0.992 1.00 0.00 C +ATOM 257 CD PRO A 17 7.879 3.059 -1.478 1.00 0.00 C +ATOM 258 HA PRO A 17 6.972 2.511 1.537 1.00 0.00 H +ATOM 259 HB2 PRO A 17 6.963 5.160 0.913 1.00 0.00 H +ATOM 260 HB3 PRO A 17 8.479 4.197 1.000 1.00 0.00 H +ATOM 261 HG2 PRO A 17 6.880 4.973 -1.451 1.00 0.00 H +ATOM 262 HG3 PRO A 17 8.611 5.095 -1.213 1.00 0.00 H +ATOM 263 HD2 PRO A 17 7.476 2.955 -2.467 1.00 0.00 H +ATOM 264 HD3 PRO A 17 8.931 2.771 -1.454 1.00 0.00 H +ATOM 265 N PRO A 18 4.594 3.738 1.736 1.00 0.00 N +ATOM 266 CA PRO A 18 3.165 4.041 1.816 1.00 0.00 C +ATOM 267 C PRO A 18 2.783 5.192 0.871 1.00 0.00 C +ATOM 268 O PRO A 18 3.492 6.199 0.824 1.00 0.00 O +ATOM 269 CB PRO A 18 2.894 4.397 3.281 1.00 0.00 C +ATOM 270 CG PRO A 18 4.254 4.847 3.808 1.00 0.00 C +ATOM 271 CD PRO A 18 5.233 3.978 3.023 1.00 0.00 C +ATOM 272 HA PRO A 18 2.603 3.146 1.565 1.00 0.00 H +ATOM 273 HB2 PRO A 18 2.175 5.190 3.354 1.00 0.00 H +ATOM 274 HB3 PRO A 18 2.571 3.506 3.818 1.00 0.00 H +ATOM 275 HG2 PRO A 18 4.419 5.889 3.610 1.00 0.00 H +ATOM 276 HG3 PRO A 18 4.347 4.691 4.883 1.00 0.00 H +ATOM 277 HD2 PRO A 18 6.166 4.491 2.889 1.00 0.00 H +ATOM 278 HD3 PRO A 18 5.375 3.027 3.537 1.00 0.00 H +ATOM 279 N PRO A 19 1.669 5.075 0.121 1.00 0.00 N +ATOM 280 CA PRO A 19 1.193 6.145 -0.742 1.00 0.00 C +ATOM 281 C PRO A 19 0.412 7.189 0.066 1.00 0.00 C +ATOM 282 O PRO A 19 -0.366 6.839 0.959 1.00 0.00 O +ATOM 283 CB PRO A 19 0.286 5.445 -1.758 1.00 0.00 C +ATOM 284 CG PRO A 19 -0.334 4.311 -0.945 1.00 0.00 C +ATOM 285 CD PRO A 19 0.787 3.922 0.021 1.00 0.00 C +ATOM 286 HA PRO A 19 2.027 6.623 -1.257 1.00 0.00 H +ATOM 287 HB2 PRO A 19 -0.469 6.113 -2.125 1.00 0.00 H +ATOM 288 HB3 PRO A 19 0.899 5.024 -2.558 1.00 0.00 H +ATOM 289 HG2 PRO A 19 -1.202 4.649 -0.412 1.00 0.00 H +ATOM 290 HG3 PRO A 19 -0.632 3.479 -1.581 1.00 0.00 H +ATOM 291 HD2 PRO A 19 0.379 3.683 0.984 1.00 0.00 H +ATOM 292 HD3 PRO A 19 1.349 3.085 -0.391 1.00 0.00 H +ATOM 293 N SER A 20 0.545 8.452 -0.361 1.00 0.00 N +ATOM 294 CA SER A 20 -0.267 9.613 0.032 1.00 0.00 C +ATOM 295 C SER A 20 0.099 10.270 1.361 1.00 0.00 C +ATOM 296 O SER A 20 1.001 9.777 2.071 1.00 0.00 O +ATOM 297 CB SER A 20 -1.745 9.233 0.059 1.00 0.00 C +ATOM 298 OG SER A 20 -2.498 10.392 -0.203 1.00 0.00 O +ATOM 299 OXT SER A 20 -0.596 11.284 1.612 1.00 0.00 O +ATOM 300 H SER A 20 1.265 8.618 -1.047 1.00 0.00 H +ATOM 301 HA SER A 20 -0.121 10.385 -0.723 1.00 0.00 H +ATOM 302 HB2 SER A 20 -1.944 8.492 -0.691 1.00 0.00 H +ATOM 303 HB3 SER A 20 -1.994 8.859 1.055 1.00 0.00 H +ATOM 304 HG SER A 20 -2.028 11.083 0.314 1.00 0.00 H +TER 305 SER A 20 +ENDMDL +MODEL 20 +ATOM 1 N ASN A 1 -8.559 6.374 -1.226 1.00 0.00 N +ATOM 2 CA ASN A 1 -7.539 6.170 -0.168 1.00 0.00 C +ATOM 3 C ASN A 1 -6.191 5.649 -0.655 1.00 0.00 C +ATOM 4 O ASN A 1 -5.194 6.053 -0.072 1.00 0.00 O +ATOM 5 CB ASN A 1 -8.062 5.285 0.966 1.00 0.00 C +ATOM 6 CG ASN A 1 -8.992 6.102 1.840 1.00 0.00 C +ATOM 7 OD1 ASN A 1 -10.159 6.243 1.517 1.00 0.00 O +ATOM 8 ND2 ASN A 1 -8.488 6.730 2.886 1.00 0.00 N +ATOM 9 H1 ASN A 1 -8.207 6.992 -1.945 1.00 0.00 H +ATOM 10 H2 ASN A 1 -8.827 5.491 -1.639 1.00 0.00 H +ATOM 11 H3 ASN A 1 -9.389 6.786 -0.814 1.00 0.00 H +ATOM 12 HA ASN A 1 -7.316 7.145 0.269 1.00 0.00 H +ATOM 13 HB2 ASN A 1 -8.596 4.450 0.554 1.00 0.00 H +ATOM 14 HB3 ASN A 1 -7.238 4.906 1.572 1.00 0.00 H +ATOM 15 HD21 ASN A 1 -7.518 6.672 3.157 1.00 0.00 H +ATOM 16 HD22 ASN A 1 -9.151 7.262 3.426 1.00 0.00 H +ATOM 17 N LEU A 2 -6.126 4.735 -1.642 1.00 0.00 N +ATOM 18 CA LEU A 2 -4.891 4.125 -2.180 1.00 0.00 C +ATOM 19 C LEU A 2 -4.153 3.176 -1.204 1.00 0.00 C +ATOM 20 O LEU A 2 -3.597 2.164 -1.636 1.00 0.00 O +ATOM 21 CB LEU A 2 -3.962 5.228 -2.759 1.00 0.00 C +ATOM 22 CG LEU A 2 -3.563 5.018 -4.237 1.00 0.00 C +ATOM 23 CD1 LEU A 2 -3.974 6.221 -5.092 1.00 0.00 C +ATOM 24 CD2 LEU A 2 -2.055 4.808 -4.389 1.00 0.00 C +ATOM 25 H LEU A 2 -6.972 4.387 -2.062 1.00 0.00 H +ATOM 26 HA LEU A 2 -5.209 3.487 -3.002 1.00 0.00 H +ATOM 27 HB2 LEU A 2 -4.470 6.170 -2.679 1.00 0.00 H +ATOM 28 HB3 LEU A 2 -3.068 5.296 -2.140 1.00 0.00 H +ATOM 29 HG LEU A 2 -4.066 4.139 -4.638 1.00 0.00 H +ATOM 30 HD11 LEU A 2 -5.024 6.461 -4.923 1.00 0.00 H +ATOM 31 HD12 LEU A 2 -3.363 7.091 -4.843 1.00 0.00 H +ATOM 32 HD13 LEU A 2 -3.839 5.983 -6.147 1.00 0.00 H +ATOM 33 HD21 LEU A 2 -1.524 5.712 -4.089 1.00 0.00 H +ATOM 34 HD22 LEU A 2 -1.743 3.967 -3.772 1.00 0.00 H +ATOM 35 HD23 LEU A 2 -1.820 4.596 -5.432 1.00 0.00 H +ATOM 36 N TYR A 3 -4.202 3.452 0.106 1.00 0.00 N +ATOM 37 CA TYR A 3 -3.575 2.669 1.174 1.00 0.00 C +ATOM 38 C TYR A 3 -4.020 1.200 1.203 1.00 0.00 C +ATOM 39 O TYR A 3 -3.195 0.322 1.447 1.00 0.00 O +ATOM 40 CB TYR A 3 -3.843 3.340 2.530 1.00 0.00 C +ATOM 41 CG TYR A 3 -2.673 3.212 3.480 1.00 0.00 C +ATOM 42 CD1 TYR A 3 -2.543 2.088 4.320 1.00 0.00 C +ATOM 43 CD2 TYR A 3 -1.689 4.217 3.496 1.00 0.00 C +ATOM 44 CE1 TYR A 3 -1.427 1.974 5.172 1.00 0.00 C +ATOM 45 CE2 TYR A 3 -0.574 4.112 4.346 1.00 0.00 C +ATOM 46 CZ TYR A 3 -0.438 2.983 5.184 1.00 0.00 C +ATOM 47 OH TYR A 3 0.646 2.858 5.993 1.00 0.00 O +ATOM 48 H TYR A 3 -4.568 4.369 0.345 1.00 0.00 H +ATOM 49 HA TYR A 3 -2.498 2.677 1.000 1.00 0.00 H +ATOM 50 HB2 TYR A 3 -4.041 4.382 2.366 1.00 0.00 H +ATOM 51 HB3 TYR A 3 -4.737 2.911 2.988 1.00 0.00 H +ATOM 52 HD1 TYR A 3 -3.296 1.314 4.305 1.00 0.00 H +ATOM 53 HD2 TYR A 3 -1.794 5.082 2.856 1.00 0.00 H +ATOM 54 HE1 TYR A 3 -1.307 1.120 5.821 1.00 0.00 H +ATOM 55 HE2 TYR A 3 0.166 4.899 4.359 1.00 0.00 H +ATOM 56 HH TYR A 3 1.278 3.565 5.851 1.00 0.00 H +ATOM 57 N ILE A 4 -5.303 0.928 0.911 1.00 0.00 N +ATOM 58 CA ILE A 4 -5.843 -0.436 0.816 1.00 0.00 C +ATOM 59 C ILE A 4 -5.054 -1.237 -0.220 1.00 0.00 C +ATOM 60 O ILE A 4 -4.584 -2.327 0.084 1.00 0.00 O +ATOM 61 CB ILE A 4 -7.357 -0.449 0.483 1.00 0.00 C +ATOM 62 CG1 ILE A 4 -8.184 0.429 1.452 1.00 0.00 C +ATOM 63 CG2 ILE A 4 -7.909 -1.886 0.515 1.00 0.00 C +ATOM 64 CD1 ILE A 4 -8.655 1.719 0.779 1.00 0.00 C +ATOM 65 H ILE A 4 -5.915 1.709 0.742 1.00 0.00 H +ATOM 66 HA ILE A 4 -5.704 -0.925 1.782 1.00 0.00 H +ATOM 67 HB ILE A 4 -7.493 -0.077 -0.536 1.00 0.00 H +ATOM 68 HG12 ILE A 4 -9.042 -0.126 1.779 1.00 0.00 H +ATOM 69 HG13 ILE A 4 -7.595 0.676 2.336 1.00 0.00 H +ATOM 70 HG21 ILE A 4 -7.390 -2.519 -0.204 1.00 0.00 H +ATOM 71 HG22 ILE A 4 -7.795 -2.311 1.514 1.00 0.00 H +ATOM 72 HG23 ILE A 4 -8.968 -1.881 0.251 1.00 0.00 H +ATOM 73 HD11 ILE A 4 -7.807 2.246 0.343 1.00 0.00 H +ATOM 74 HD12 ILE A 4 -9.375 1.482 -0.007 1.00 0.00 H +ATOM 75 HD13 ILE A 4 -9.141 2.352 1.521 1.00 0.00 H +ATOM 76 N GLN A 5 -4.882 -0.682 -1.427 1.00 0.00 N +ATOM 77 CA GLN A 5 -4.187 -1.318 -2.543 1.00 0.00 C +ATOM 78 C GLN A 5 -2.715 -1.599 -2.195 1.00 0.00 C +ATOM 79 O GLN A 5 -2.236 -2.714 -2.401 1.00 0.00 O +ATOM 80 CB GLN A 5 -4.359 -0.428 -3.793 1.00 0.00 C +ATOM 81 CG GLN A 5 -4.481 -1.221 -5.109 1.00 0.00 C +ATOM 82 CD GLN A 5 -3.302 -1.006 -6.054 1.00 0.00 C +ATOM 83 OE1 GLN A 5 -2.144 -1.029 -5.666 1.00 0.00 O +ATOM 84 NE2 GLN A 5 -3.557 -0.777 -7.329 1.00 0.00 N +ATOM 85 H GLN A 5 -5.224 0.258 -1.562 1.00 0.00 H +ATOM 86 HA GLN A 5 -4.671 -2.279 -2.721 1.00 0.00 H +ATOM 87 HB2 GLN A 5 -5.247 0.161 -3.669 1.00 0.00 H +ATOM 88 HB3 GLN A 5 -3.541 0.293 -3.855 1.00 0.00 H +ATOM 89 HG2 GLN A 5 -4.542 -2.266 -4.873 1.00 0.00 H +ATOM 90 HG3 GLN A 5 -5.394 -0.897 -5.613 1.00 0.00 H +ATOM 91 HE21 GLN A 5 -4.491 -0.741 -7.700 1.00 0.00 H +ATOM 92 HE22 GLN A 5 -2.737 -0.694 -7.906 1.00 0.00 H +ATOM 93 N TRP A 6 -2.029 -0.624 -1.578 1.00 0.00 N +ATOM 94 CA TRP A 6 -0.665 -0.788 -1.058 1.00 0.00 C +ATOM 95 C TRP A 6 -0.556 -1.893 0.011 1.00 0.00 C +ATOM 96 O TRP A 6 0.331 -2.745 -0.077 1.00 0.00 O +ATOM 97 CB TRP A 6 -0.159 0.559 -0.523 1.00 0.00 C +ATOM 98 CG TRP A 6 1.225 0.523 0.051 1.00 0.00 C +ATOM 99 CD1 TRP A 6 2.372 0.435 -0.663 1.00 0.00 C +ATOM 100 CD2 TRP A 6 1.630 0.513 1.454 1.00 0.00 C +ATOM 101 NE1 TRP A 6 3.451 0.386 0.196 1.00 0.00 N +ATOM 102 CE2 TRP A 6 3.054 0.444 1.511 1.00 0.00 C +ATOM 103 CE3 TRP A 6 0.945 0.537 2.688 1.00 0.00 C +ATOM 104 CZ2 TRP A 6 3.767 0.433 2.717 1.00 0.00 C +ATOM 105 CZ3 TRP A 6 1.648 0.497 3.907 1.00 0.00 C +ATOM 106 CH2 TRP A 6 3.054 0.465 3.925 1.00 0.00 C +ATOM 107 H TRP A 6 -2.509 0.259 -1.436 1.00 0.00 H +ATOM 108 HA TRP A 6 -0.018 -1.090 -1.882 1.00 0.00 H +ATOM 109 HB2 TRP A 6 -0.168 1.265 -1.331 1.00 0.00 H +ATOM 110 HB3 TRP A 6 -0.840 0.912 0.252 1.00 0.00 H +ATOM 111 HD1 TRP A 6 2.432 0.386 -1.739 1.00 0.00 H +ATOM 112 HE1 TRP A 6 4.433 0.309 -0.087 1.00 0.00 H +ATOM 113 HE3 TRP A 6 -0.135 0.584 2.691 1.00 0.00 H +ATOM 114 HZ2 TRP A 6 4.847 0.386 2.702 1.00 0.00 H +ATOM 115 HZ3 TRP A 6 1.107 0.502 4.843 1.00 0.00 H +ATOM 116 HH2 TRP A 6 3.581 0.457 4.869 1.00 0.00 H +ATOM 117 N LEU A 7 -1.463 -1.916 0.999 1.00 0.00 N +ATOM 118 CA LEU A 7 -1.525 -3.000 1.984 1.00 0.00 C +ATOM 119 C LEU A 7 -1.822 -4.357 1.333 1.00 0.00 C +ATOM 120 O LEU A 7 -1.178 -5.338 1.700 1.00 0.00 O +ATOM 121 CB LEU A 7 -2.557 -2.691 3.086 1.00 0.00 C +ATOM 122 CG LEU A 7 -2.097 -1.666 4.139 1.00 0.00 C +ATOM 123 CD1 LEU A 7 -3.252 -1.407 5.113 1.00 0.00 C +ATOM 124 CD2 LEU A 7 -0.893 -2.152 4.958 1.00 0.00 C +ATOM 125 H LEU A 7 -2.157 -1.171 1.046 1.00 0.00 H +ATOM 126 HA LEU A 7 -0.541 -3.101 2.440 1.00 0.00 H +ATOM 127 HB2 LEU A 7 -3.443 -2.310 2.615 1.00 0.00 H +ATOM 128 HB3 LEU A 7 -2.794 -3.620 3.606 1.00 0.00 H +ATOM 129 HG LEU A 7 -1.835 -0.730 3.648 1.00 0.00 H +ATOM 130 HD11 LEU A 7 -4.113 -1.019 4.569 1.00 0.00 H +ATOM 131 HD12 LEU A 7 -3.533 -2.334 5.614 1.00 0.00 H +ATOM 132 HD13 LEU A 7 -2.951 -0.680 5.866 1.00 0.00 H +ATOM 133 HD21 LEU A 7 -1.114 -3.120 5.409 1.00 0.00 H +ATOM 134 HD22 LEU A 7 -0.012 -2.241 4.326 1.00 0.00 H +ATOM 135 HD23 LEU A 7 -0.668 -1.436 5.747 1.00 0.00 H +ATOM 136 N LYS A 8 -2.738 -4.419 0.353 1.00 0.00 N +ATOM 137 CA LYS A 8 -3.104 -5.647 -0.376 1.00 0.00 C +ATOM 138 C LYS A 8 -1.891 -6.322 -1.027 1.00 0.00 C +ATOM 139 O LYS A 8 -1.817 -7.547 -1.040 1.00 0.00 O +ATOM 140 CB LYS A 8 -4.205 -5.340 -1.415 1.00 0.00 C +ATOM 141 CG LYS A 8 -5.335 -6.380 -1.451 1.00 0.00 C +ATOM 142 CD LYS A 8 -4.972 -7.663 -2.207 1.00 0.00 C +ATOM 143 CE LYS A 8 -6.125 -8.664 -2.114 1.00 0.00 C +ATOM 144 NZ LYS A 8 -5.771 -9.943 -2.773 1.00 0.00 N +ATOM 145 H LYS A 8 -3.250 -3.563 0.145 1.00 0.00 H +ATOM 146 HA LYS A 8 -3.490 -6.354 0.358 1.00 0.00 H +ATOM 147 HB2 LYS A 8 -4.633 -4.384 -1.181 1.00 0.00 H +ATOM 148 HB3 LYS A 8 -3.770 -5.224 -2.411 1.00 0.00 H +ATOM 149 HG2 LYS A 8 -5.586 -6.642 -0.441 1.00 0.00 H +ATOM 150 HG3 LYS A 8 -6.197 -5.928 -1.944 1.00 0.00 H +ATOM 151 HD2 LYS A 8 -4.786 -7.429 -3.237 1.00 0.00 H +ATOM 152 HD3 LYS A 8 -4.085 -8.111 -1.765 1.00 0.00 H +ATOM 153 HE2 LYS A 8 -6.345 -8.851 -1.081 1.00 0.00 H +ATOM 154 HE3 LYS A 8 -7.012 -8.228 -2.581 1.00 0.00 H +ATOM 155 HZ1 LYS A 8 -5.589 -9.789 -3.756 1.00 0.00 H +ATOM 156 HZ2 LYS A 8 -4.937 -10.327 -2.348 1.00 0.00 H +ATOM 157 HZ3 LYS A 8 -6.525 -10.610 -2.677 1.00 0.00 H +ATOM 158 N ASP A 9 -0.939 -5.531 -1.526 1.00 0.00 N +ATOM 159 CA ASP A 9 0.321 -6.020 -2.093 1.00 0.00 C +ATOM 160 C ASP A 9 1.283 -6.607 -1.037 1.00 0.00 C +ATOM 161 O ASP A 9 2.139 -7.419 -1.377 1.00 0.00 O +ATOM 162 CB ASP A 9 0.989 -4.858 -2.850 1.00 0.00 C +ATOM 163 CG ASP A 9 1.796 -5.335 -4.057 1.00 0.00 C +ATOM 164 OD1 ASP A 9 1.163 -5.904 -4.975 1.00 0.00 O +ATOM 165 OD2 ASP A 9 3.019 -5.073 -4.070 1.00 0.00 O +ATOM 166 H ASP A 9 -1.118 -4.533 -1.538 1.00 0.00 H +ATOM 167 HA ASP A 9 0.090 -6.813 -2.809 1.00 0.00 H +ATOM 168 HB2 ASP A 9 0.226 -4.185 -3.190 1.00 0.00 H +ATOM 169 HB3 ASP A 9 1.629 -4.297 -2.165 1.00 0.00 H +ATOM 170 N GLY A 10 1.133 -6.217 0.240 1.00 0.00 N +ATOM 171 CA GLY A 10 2.010 -6.592 1.355 1.00 0.00 C +ATOM 172 C GLY A 10 2.573 -5.411 2.161 1.00 0.00 C +ATOM 173 O GLY A 10 3.398 -5.625 3.054 1.00 0.00 O +ATOM 174 H GLY A 10 0.303 -5.675 0.461 1.00 0.00 H +ATOM 175 HA2 GLY A 10 1.445 -7.224 2.039 1.00 0.00 H +ATOM 176 HA3 GLY A 10 2.855 -7.173 0.983 1.00 0.00 H +ATOM 177 N GLY A 11 2.155 -4.169 1.875 1.00 0.00 N +ATOM 178 CA GLY A 11 2.637 -2.966 2.554 1.00 0.00 C +ATOM 179 C GLY A 11 4.173 -2.844 2.510 1.00 0.00 C +ATOM 180 O GLY A 11 4.743 -2.864 1.419 1.00 0.00 O +ATOM 181 H GLY A 11 1.499 -4.036 1.112 1.00 0.00 H +ATOM 182 HA2 GLY A 11 2.212 -2.097 2.057 1.00 0.00 H +ATOM 183 HA3 GLY A 11 2.276 -2.984 3.579 1.00 0.00 H +ATOM 184 N PRO A 12 4.876 -2.729 3.659 1.00 0.00 N +ATOM 185 CA PRO A 12 6.341 -2.693 3.687 1.00 0.00 C +ATOM 186 C PRO A 12 7.005 -3.929 3.062 1.00 0.00 C +ATOM 187 O PRO A 12 8.095 -3.815 2.504 1.00 0.00 O +ATOM 188 CB PRO A 12 6.736 -2.568 5.165 1.00 0.00 C +ATOM 189 CG PRO A 12 5.479 -2.037 5.847 1.00 0.00 C +ATOM 190 CD PRO A 12 4.350 -2.640 5.013 1.00 0.00 C +ATOM 191 HA PRO A 12 6.678 -1.805 3.152 1.00 0.00 H +ATOM 192 HB2 PRO A 12 7.012 -3.524 5.567 1.00 0.00 H +ATOM 193 HB3 PRO A 12 7.579 -1.889 5.296 1.00 0.00 H +ATOM 194 HG2 PRO A 12 5.424 -2.369 6.866 1.00 0.00 H +ATOM 195 HG3 PRO A 12 5.453 -0.949 5.767 1.00 0.00 H +ATOM 196 HD2 PRO A 12 4.091 -3.614 5.380 1.00 0.00 H +ATOM 197 HD3 PRO A 12 3.468 -2.003 5.070 1.00 0.00 H +ATOM 198 N SER A 13 6.350 -5.101 3.114 1.00 0.00 N +ATOM 199 CA SER A 13 6.894 -6.348 2.558 1.00 0.00 C +ATOM 200 C SER A 13 7.064 -6.302 1.037 1.00 0.00 C +ATOM 201 O SER A 13 7.806 -7.118 0.493 1.00 0.00 O +ATOM 202 CB SER A 13 5.994 -7.536 2.906 1.00 0.00 C +ATOM 203 OG SER A 13 6.670 -8.733 2.580 1.00 0.00 O +ATOM 204 H SER A 13 5.406 -5.120 3.489 1.00 0.00 H +ATOM 205 HA SER A 13 7.875 -6.522 3.002 1.00 0.00 H +ATOM 206 HB2 SER A 13 5.770 -7.523 3.955 1.00 0.00 H +ATOM 207 HB3 SER A 13 5.068 -7.474 2.335 1.00 0.00 H +ATOM 208 HG SER A 13 7.095 -8.611 1.716 1.00 0.00 H +ATOM 209 N SER A 14 6.380 -5.370 0.366 1.00 0.00 N +ATOM 210 CA SER A 14 6.436 -5.119 -1.073 1.00 0.00 C +ATOM 211 C SER A 14 7.612 -4.213 -1.472 1.00 0.00 C +ATOM 212 O SER A 14 7.787 -3.922 -2.655 1.00 0.00 O +ATOM 213 CB SER A 14 5.135 -4.433 -1.522 1.00 0.00 C +ATOM 214 OG SER A 14 4.021 -4.846 -0.754 1.00 0.00 O +ATOM 215 H SER A 14 5.700 -4.806 0.866 1.00 0.00 H +ATOM 216 HA SER A 14 6.525 -6.070 -1.599 1.00 0.00 H +ATOM 217 HB2 SER A 14 5.251 -3.371 -1.420 1.00 0.00 H +ATOM 218 HB3 SER A 14 4.963 -4.657 -2.575 1.00 0.00 H +ATOM 219 HG SER A 14 3.267 -4.316 -1.024 1.00 0.00 H +ATOM 220 N GLY A 15 8.377 -3.685 -0.506 1.00 0.00 N +ATOM 221 CA GLY A 15 9.506 -2.771 -0.715 1.00 0.00 C +ATOM 222 C GLY A 15 9.108 -1.335 -1.091 1.00 0.00 C +ATOM 223 O GLY A 15 9.766 -0.389 -0.660 1.00 0.00 O +ATOM 224 H GLY A 15 8.157 -3.928 0.457 1.00 0.00 H +ATOM 225 HA2 GLY A 15 10.096 -2.732 0.199 1.00 0.00 H +ATOM 226 HA3 GLY A 15 10.140 -3.166 -1.510 1.00 0.00 H +ATOM 227 N ARG A 16 8.034 -1.153 -1.871 1.00 0.00 N +ATOM 228 CA ARG A 16 7.469 0.154 -2.234 1.00 0.00 C +ATOM 229 C ARG A 16 6.973 0.913 -0.978 1.00 0.00 C +ATOM 230 O ARG A 16 6.211 0.332 -0.200 1.00 0.00 O +ATOM 231 CB ARG A 16 6.320 -0.061 -3.236 1.00 0.00 C +ATOM 232 CG ARG A 16 5.701 1.259 -3.728 1.00 0.00 C +ATOM 233 CD ARG A 16 4.282 1.081 -4.280 1.00 0.00 C +ATOM 234 NE ARG A 16 3.436 2.223 -3.888 1.00 0.00 N +ATOM 235 CZ ARG A 16 2.113 2.270 -3.848 1.00 0.00 C +ATOM 236 NH1 ARG A 16 1.365 1.261 -4.236 1.00 0.00 N +ATOM 237 NH2 ARG A 16 1.519 3.348 -3.396 1.00 0.00 N +ATOM 238 H ARG A 16 7.609 -2.003 -2.232 1.00 0.00 H +ATOM 239 HA ARG A 16 8.260 0.723 -2.719 1.00 0.00 H +ATOM 240 HB2 ARG A 16 6.701 -0.598 -4.084 1.00 0.00 H +ATOM 241 HB3 ARG A 16 5.552 -0.663 -2.744 1.00 0.00 H +ATOM 242 HG2 ARG A 16 5.665 1.948 -2.906 1.00 0.00 H +ATOM 243 HG3 ARG A 16 6.342 1.711 -4.487 1.00 0.00 H +ATOM 244 HD2 ARG A 16 4.323 1.021 -5.351 1.00 0.00 H +ATOM 245 HD3 ARG A 16 3.851 0.165 -3.875 1.00 0.00 H +ATOM 246 HE ARG A 16 3.920 3.015 -3.494 1.00 0.00 H +ATOM 247 HH11 ARG A 16 1.821 0.446 -4.608 1.00 0.00 H +ATOM 248 HH12 ARG A 16 0.362 1.295 -4.201 1.00 0.00 H +ATOM 249 HH21 ARG A 16 2.072 4.122 -3.070 1.00 0.00 H +ATOM 250 HH22 ARG A 16 0.518 3.399 -3.384 1.00 0.00 H +ATOM 251 N PRO A 17 7.293 2.215 -0.808 1.00 0.00 N +ATOM 252 CA PRO A 17 6.771 3.037 0.288 1.00 0.00 C +ATOM 253 C PRO A 17 5.246 3.279 0.193 1.00 0.00 C +ATOM 254 O PRO A 17 4.657 3.102 -0.882 1.00 0.00 O +ATOM 255 CB PRO A 17 7.554 4.355 0.201 1.00 0.00 C +ATOM 256 CG PRO A 17 7.898 4.468 -1.280 1.00 0.00 C +ATOM 257 CD PRO A 17 8.151 3.015 -1.674 1.00 0.00 C +ATOM 258 HA PRO A 17 6.993 2.548 1.239 1.00 0.00 H +ATOM 259 HB2 PRO A 17 6.949 5.182 0.518 1.00 0.00 H +ATOM 260 HB3 PRO A 17 8.473 4.272 0.782 1.00 0.00 H +ATOM 261 HG2 PRO A 17 7.081 4.884 -1.837 1.00 0.00 H +ATOM 262 HG3 PRO A 17 8.774 5.093 -1.450 1.00 0.00 H +ATOM 263 HD2 PRO A 17 7.895 2.857 -2.704 1.00 0.00 H +ATOM 264 HD3 PRO A 17 9.194 2.757 -1.486 1.00 0.00 H +ATOM 265 N PRO A 18 4.597 3.714 1.294 1.00 0.00 N +ATOM 266 CA PRO A 18 3.162 3.983 1.317 1.00 0.00 C +ATOM 267 C PRO A 18 2.768 5.182 0.431 1.00 0.00 C +ATOM 268 O PRO A 18 3.608 6.024 0.114 1.00 0.00 O +ATOM 269 CB PRO A 18 2.811 4.228 2.790 1.00 0.00 C +ATOM 270 CG PRO A 18 4.117 4.740 3.389 1.00 0.00 C +ATOM 271 CD PRO A 18 5.176 3.963 2.610 1.00 0.00 C +ATOM 272 HA PRO A 18 2.635 3.096 0.970 1.00 0.00 H +ATOM 273 HB2 PRO A 18 2.034 4.962 2.882 1.00 0.00 H +ATOM 274 HB3 PRO A 18 2.539 3.285 3.264 1.00 0.00 H +ATOM 275 HG2 PRO A 18 4.224 5.797 3.237 1.00 0.00 H +ATOM 276 HG3 PRO A 18 4.178 4.547 4.461 1.00 0.00 H +ATOM 277 HD2 PRO A 18 6.074 4.543 2.520 1.00 0.00 H +ATOM 278 HD3 PRO A 18 5.373 3.011 3.105 1.00 0.00 H +ATOM 279 N PRO A 19 1.485 5.278 0.026 1.00 0.00 N +ATOM 280 CA PRO A 19 0.982 6.372 -0.808 1.00 0.00 C +ATOM 281 C PRO A 19 0.682 7.673 -0.045 1.00 0.00 C +ATOM 282 O PRO A 19 0.626 8.727 -0.675 1.00 0.00 O +ATOM 283 CB PRO A 19 -0.302 5.824 -1.426 1.00 0.00 C +ATOM 284 CG PRO A 19 -0.825 4.851 -0.371 1.00 0.00 C +ATOM 285 CD PRO A 19 0.452 4.272 0.229 1.00 0.00 C +ATOM 286 HA PRO A 19 1.699 6.601 -1.599 1.00 0.00 H +ATOM 287 HB2 PRO A 19 -1.008 6.612 -1.603 1.00 0.00 H +ATOM 288 HB3 PRO A 19 -0.052 5.278 -2.333 1.00 0.00 H +ATOM 289 HG2 PRO A 19 -1.402 5.364 0.374 1.00 0.00 H +ATOM 290 HG3 PRO A 19 -1.440 4.069 -0.815 1.00 0.00 H +ATOM 291 HD2 PRO A 19 0.318 4.081 1.276 1.00 0.00 H +ATOM 292 HD3 PRO A 19 0.728 3.363 -0.309 1.00 0.00 H +ATOM 293 N SER A 20 0.482 7.598 1.276 1.00 0.00 N +ATOM 294 CA SER A 20 0.266 8.724 2.196 1.00 0.00 C +ATOM 295 C SER A 20 1.329 8.752 3.288 1.00 0.00 C +ATOM 296 O SER A 20 1.742 7.644 3.706 1.00 0.00 O +ATOM 297 CB SER A 20 -1.141 8.690 2.805 1.00 0.00 C +ATOM 298 OG SER A 20 -1.374 7.496 3.524 1.00 0.00 O +ATOM 299 OXT SER A 20 1.652 9.878 3.716 1.00 0.00 O +ATOM 300 H SER A 20 0.581 6.704 1.731 1.00 0.00 H +ATOM 301 HA SER A 20 0.368 9.660 1.645 1.00 0.00 H +ATOM 302 HB2 SER A 20 -1.251 9.524 3.471 1.00 0.00 H +ATOM 303 HB3 SER A 20 -1.884 8.784 2.011 1.00 0.00 H +ATOM 304 HG SER A 20 -0.759 7.480 4.268 1.00 0.00 H +TER 305 SER A 20 +ENDMDL +MODEL 21 +ATOM 1 N ASN A 1 -8.205 5.399 0.404 1.00 0.00 N +ATOM 2 CA ASN A 1 -8.421 4.425 -0.695 1.00 0.00 C +ATOM 3 C ASN A 1 -7.126 3.775 -1.163 1.00 0.00 C +ATOM 4 O ASN A 1 -6.987 2.568 -1.004 1.00 0.00 O +ATOM 5 CB ASN A 1 -9.214 5.043 -1.856 1.00 0.00 C +ATOM 6 CG ASN A 1 -10.664 5.161 -1.424 1.00 0.00 C +ATOM 7 OD1 ASN A 1 -10.997 6.047 -0.655 1.00 0.00 O +ATOM 8 ND2 ASN A 1 -11.516 4.226 -1.803 1.00 0.00 N +ATOM 9 H1 ASN A 1 -7.624 4.992 1.125 1.00 0.00 H +ATOM 10 H2 ASN A 1 -7.759 6.235 0.050 1.00 0.00 H +ATOM 11 H3 ASN A 1 -9.098 5.664 0.802 1.00 0.00 H +ATOM 12 HA ASN A 1 -9.021 3.603 -0.300 1.00 0.00 H +ATOM 13 HB2 ASN A 1 -8.823 6.015 -2.087 1.00 0.00 H +ATOM 14 HB3 ASN A 1 -9.147 4.412 -2.743 1.00 0.00 H +ATOM 15 HD21 ASN A 1 -11.263 3.457 -2.402 1.00 0.00 H +ATOM 16 HD22 ASN A 1 -12.463 4.349 -1.476 1.00 0.00 H +ATOM 17 N LEU A 2 -6.172 4.549 -1.692 1.00 0.00 N +ATOM 18 CA LEU A 2 -4.889 4.051 -2.203 1.00 0.00 C +ATOM 19 C LEU A 2 -4.114 3.184 -1.190 1.00 0.00 C +ATOM 20 O LEU A 2 -3.509 2.181 -1.570 1.00 0.00 O +ATOM 21 CB LEU A 2 -4.073 5.277 -2.655 1.00 0.00 C +ATOM 22 CG LEU A 2 -4.033 5.475 -4.183 1.00 0.00 C +ATOM 23 CD1 LEU A 2 -4.073 6.965 -4.529 1.00 0.00 C +ATOM 24 CD2 LEU A 2 -2.762 4.845 -4.764 1.00 0.00 C +ATOM 25 H LEU A 2 -6.330 5.538 -1.816 1.00 0.00 H +ATOM 26 HA LEU A 2 -5.081 3.408 -3.065 1.00 0.00 H +ATOM 27 HB2 LEU A 2 -4.507 6.153 -2.213 1.00 0.00 H +ATOM 28 HB3 LEU A 2 -3.055 5.173 -2.305 1.00 0.00 H +ATOM 29 HG LEU A 2 -4.900 4.998 -4.643 1.00 0.00 H +ATOM 30 HD11 LEU A 2 -5.100 7.324 -4.467 1.00 0.00 H +ATOM 31 HD12 LEU A 2 -3.450 7.536 -3.839 1.00 0.00 H +ATOM 32 HD13 LEU A 2 -3.711 7.128 -5.545 1.00 0.00 H +ATOM 33 HD21 LEU A 2 -1.884 5.386 -4.413 1.00 0.00 H +ATOM 34 HD22 LEU A 2 -2.688 3.801 -4.461 1.00 0.00 H +ATOM 35 HD23 LEU A 2 -2.792 4.898 -5.853 1.00 0.00 H +ATOM 36 N TYR A 3 -4.187 3.525 0.103 1.00 0.00 N +ATOM 37 CA TYR A 3 -3.556 2.775 1.192 1.00 0.00 C +ATOM 38 C TYR A 3 -4.000 1.305 1.250 1.00 0.00 C +ATOM 39 O TYR A 3 -3.195 0.429 1.563 1.00 0.00 O +ATOM 40 CB TYR A 3 -3.840 3.474 2.532 1.00 0.00 C +ATOM 41 CG TYR A 3 -2.641 3.483 3.456 1.00 0.00 C +ATOM 42 CD1 TYR A 3 -2.318 2.335 4.203 1.00 0.00 C +ATOM 43 CD2 TYR A 3 -1.834 4.634 3.549 1.00 0.00 C +ATOM 44 CE1 TYR A 3 -1.190 2.334 5.043 1.00 0.00 C +ATOM 45 CE2 TYR A 3 -0.712 4.643 4.398 1.00 0.00 C +ATOM 46 CZ TYR A 3 -0.385 3.488 5.143 1.00 0.00 C +ATOM 47 OH TYR A 3 0.689 3.483 5.975 1.00 0.00 O +ATOM 48 H TYR A 3 -4.659 4.384 0.331 1.00 0.00 H +ATOM 49 HA TYR A 3 -2.477 2.787 1.022 1.00 0.00 H +ATOM 50 HB2 TYR A 3 -4.128 4.489 2.335 1.00 0.00 H +ATOM 51 HB3 TYR A 3 -4.675 2.981 3.036 1.00 0.00 H +ATOM 52 HD1 TYR A 3 -2.934 1.451 4.126 1.00 0.00 H +ATOM 53 HD2 TYR A 3 -2.071 5.516 2.968 1.00 0.00 H +ATOM 54 HE1 TYR A 3 -0.931 1.461 5.624 1.00 0.00 H +ATOM 55 HE2 TYR A 3 -0.096 5.527 4.474 1.00 0.00 H +ATOM 56 HH TYR A 3 0.536 4.026 6.750 1.00 0.00 H +ATOM 57 N ILE A 4 -5.268 1.027 0.907 1.00 0.00 N +ATOM 58 CA ILE A 4 -5.809 -0.333 0.842 1.00 0.00 C +ATOM 59 C ILE A 4 -5.065 -1.132 -0.228 1.00 0.00 C +ATOM 60 O ILE A 4 -4.619 -2.244 0.044 1.00 0.00 O +ATOM 61 CB ILE A 4 -7.333 -0.322 0.572 1.00 0.00 C +ATOM 62 CG1 ILE A 4 -8.130 0.602 1.523 1.00 0.00 C +ATOM 63 CG2 ILE A 4 -7.912 -1.748 0.626 1.00 0.00 C +ATOM 64 CD1 ILE A 4 -7.837 0.419 3.019 1.00 0.00 C +ATOM 65 H ILE A 4 -5.853 1.783 0.573 1.00 0.00 H +ATOM 66 HA ILE A 4 -5.628 -0.825 1.798 1.00 0.00 H +ATOM 67 HB ILE A 4 -7.498 0.045 -0.442 1.00 0.00 H +ATOM 68 HG12 ILE A 4 -7.904 1.618 1.263 1.00 0.00 H +ATOM 69 HG13 ILE A 4 -9.195 0.439 1.352 1.00 0.00 H +ATOM 70 HG21 ILE A 4 -7.438 -2.382 -0.123 1.00 0.00 H +ATOM 71 HG22 ILE A 4 -7.755 -2.190 1.610 1.00 0.00 H +ATOM 72 HG23 ILE A 4 -8.983 -1.721 0.418 1.00 0.00 H +ATOM 73 HD11 ILE A 4 -7.575 -0.614 3.246 1.00 0.00 H +ATOM 74 HD12 ILE A 4 -7.012 1.067 3.316 1.00 0.00 H +ATOM 75 HD13 ILE A 4 -8.722 0.689 3.595 1.00 0.00 H +ATOM 76 N GLN A 5 -4.894 -0.554 -1.425 1.00 0.00 N +ATOM 77 CA GLN A 5 -4.180 -1.182 -2.538 1.00 0.00 C +ATOM 78 C GLN A 5 -2.711 -1.453 -2.172 1.00 0.00 C +ATOM 79 O GLN A 5 -2.211 -2.547 -2.418 1.00 0.00 O +ATOM 80 CB GLN A 5 -4.321 -0.301 -3.794 1.00 0.00 C +ATOM 81 CG GLN A 5 -4.173 -1.098 -5.104 1.00 0.00 C +ATOM 82 CD GLN A 5 -2.956 -0.675 -5.920 1.00 0.00 C +ATOM 83 OE1 GLN A 5 -1.933 -1.333 -5.943 1.00 0.00 O +ATOM 84 NE2 GLN A 5 -3.020 0.437 -6.629 1.00 0.00 N +ATOM 85 H GLN A 5 -5.218 0.396 -1.539 1.00 0.00 H +ATOM 86 HA GLN A 5 -4.656 -2.143 -2.729 1.00 0.00 H +ATOM 87 HB2 GLN A 5 -5.289 0.161 -3.782 1.00 0.00 H +ATOM 88 HB3 GLN A 5 -3.593 0.512 -3.762 1.00 0.00 H +ATOM 89 HG2 GLN A 5 -4.079 -2.139 -4.863 1.00 0.00 H +ATOM 90 HG3 GLN A 5 -5.066 -0.948 -5.712 1.00 0.00 H +ATOM 91 HE21 GLN A 5 -3.834 1.023 -6.661 1.00 0.00 H +ATOM 92 HE22 GLN A 5 -2.179 0.616 -7.149 1.00 0.00 H +ATOM 93 N TRP A 6 -2.050 -0.491 -1.510 1.00 0.00 N +ATOM 94 CA TRP A 6 -0.682 -0.649 -1.004 1.00 0.00 C +ATOM 95 C TRP A 6 -0.552 -1.777 0.033 1.00 0.00 C +ATOM 96 O TRP A 6 0.343 -2.619 -0.074 1.00 0.00 O +ATOM 97 CB TRP A 6 -0.195 0.683 -0.426 1.00 0.00 C +ATOM 98 CG TRP A 6 1.199 0.640 0.118 1.00 0.00 C +ATOM 99 CD1 TRP A 6 2.328 0.641 -0.626 1.00 0.00 C +ATOM 100 CD2 TRP A 6 1.638 0.542 1.510 1.00 0.00 C +ATOM 101 NE1 TRP A 6 3.424 0.533 0.208 1.00 0.00 N +ATOM 102 CE2 TRP A 6 3.060 0.471 1.527 1.00 0.00 C +ATOM 103 CE3 TRP A 6 0.987 0.512 2.761 1.00 0.00 C +ATOM 104 CZ2 TRP A 6 3.807 0.373 2.709 1.00 0.00 C +ATOM 105 CZ3 TRP A 6 1.723 0.410 3.959 1.00 0.00 C +ATOM 106 CH2 TRP A 6 3.128 0.343 3.936 1.00 0.00 C +ATOM 107 H TRP A 6 -2.536 0.387 -1.350 1.00 0.00 H +ATOM 108 HA TRP A 6 -0.035 -0.916 -1.840 1.00 0.00 H +ATOM 109 HB2 TRP A 6 -0.231 1.421 -1.204 1.00 0.00 H +ATOM 110 HB3 TRP A 6 -0.865 0.995 0.375 1.00 0.00 H +ATOM 111 HD1 TRP A 6 2.362 0.708 -1.706 1.00 0.00 H +ATOM 112 HE1 TRP A 6 4.401 0.535 -0.078 1.00 0.00 H +ATOM 113 HE3 TRP A 6 -0.088 0.583 2.787 1.00 0.00 H +ATOM 114 HZ2 TRP A 6 4.885 0.322 2.660 1.00 0.00 H +ATOM 115 HZ3 TRP A 6 1.210 0.395 4.909 1.00 0.00 H +ATOM 116 HH2 TRP A 6 3.683 0.276 4.862 1.00 0.00 H +ATOM 117 N LEU A 7 -1.451 -1.826 1.027 1.00 0.00 N +ATOM 118 CA LEU A 7 -1.482 -2.920 2.000 1.00 0.00 C +ATOM 119 C LEU A 7 -1.770 -4.274 1.337 1.00 0.00 C +ATOM 120 O LEU A 7 -1.172 -5.271 1.735 1.00 0.00 O +ATOM 121 CB LEU A 7 -2.494 -2.616 3.120 1.00 0.00 C +ATOM 122 CG LEU A 7 -2.022 -1.536 4.111 1.00 0.00 C +ATOM 123 CD1 LEU A 7 -3.153 -1.196 5.086 1.00 0.00 C +ATOM 124 CD2 LEU A 7 -0.804 -1.981 4.934 1.00 0.00 C +ATOM 125 H LEU A 7 -2.149 -1.086 1.092 1.00 0.00 H +ATOM 126 HA LEU A 7 -0.489 -3.014 2.435 1.00 0.00 H +ATOM 127 HB2 LEU A 7 -3.409 -2.283 2.668 1.00 0.00 H +ATOM 128 HB3 LEU A 7 -2.686 -3.532 3.681 1.00 0.00 H +ATOM 129 HG LEU A 7 -1.764 -0.633 3.565 1.00 0.00 H +ATOM 130 HD11 LEU A 7 -4.027 -0.854 4.530 1.00 0.00 H +ATOM 131 HD12 LEU A 7 -3.418 -2.076 5.672 1.00 0.00 H +ATOM 132 HD13 LEU A 7 -2.833 -0.402 5.761 1.00 0.00 H +ATOM 133 HD21 LEU A 7 -1.025 -2.912 5.456 1.00 0.00 H +ATOM 134 HD22 LEU A 7 0.060 -2.128 4.287 1.00 0.00 H +ATOM 135 HD23 LEU A 7 -0.552 -1.214 5.664 1.00 0.00 H +ATOM 136 N LYS A 8 -2.622 -4.312 0.302 1.00 0.00 N +ATOM 137 CA LYS A 8 -2.964 -5.533 -0.446 1.00 0.00 C +ATOM 138 C LYS A 8 -1.748 -6.215 -1.087 1.00 0.00 C +ATOM 139 O LYS A 8 -1.680 -7.440 -1.095 1.00 0.00 O +ATOM 140 CB LYS A 8 -4.040 -5.202 -1.495 1.00 0.00 C +ATOM 141 CG LYS A 8 -5.019 -6.365 -1.703 1.00 0.00 C +ATOM 142 CD LYS A 8 -6.311 -5.884 -2.382 1.00 0.00 C +ATOM 143 CE LYS A 8 -7.429 -6.917 -2.201 1.00 0.00 C +ATOM 144 NZ LYS A 8 -8.063 -6.804 -0.863 1.00 0.00 N +ATOM 145 H LYS A 8 -3.107 -3.448 0.065 1.00 0.00 H +ATOM 146 HA LYS A 8 -3.372 -6.243 0.275 1.00 0.00 H +ATOM 147 HB2 LYS A 8 -4.590 -4.341 -1.167 1.00 0.00 H +ATOM 148 HB3 LYS A 8 -3.577 -4.927 -2.444 1.00 0.00 H +ATOM 149 HG2 LYS A 8 -4.554 -7.109 -2.321 1.00 0.00 H +ATOM 150 HG3 LYS A 8 -5.268 -6.792 -0.732 1.00 0.00 H +ATOM 151 HD2 LYS A 8 -6.615 -4.953 -1.943 1.00 0.00 H +ATOM 152 HD3 LYS A 8 -6.116 -5.737 -3.446 1.00 0.00 H +ATOM 153 HE2 LYS A 8 -8.176 -6.759 -2.955 1.00 0.00 H +ATOM 154 HE3 LYS A 8 -6.998 -7.914 -2.334 1.00 0.00 H +ATOM 155 HZ1 LYS A 8 -7.353 -6.774 -0.143 1.00 0.00 H +ATOM 156 HZ2 LYS A 8 -8.612 -5.957 -0.808 1.00 0.00 H +ATOM 157 HZ3 LYS A 8 -8.670 -7.595 -0.691 1.00 0.00 H +ATOM 158 N ASP A 9 -0.774 -5.426 -1.557 1.00 0.00 N +ATOM 159 CA ASP A 9 0.530 -5.873 -2.078 1.00 0.00 C +ATOM 160 C ASP A 9 1.485 -6.399 -0.981 1.00 0.00 C +ATOM 161 O ASP A 9 2.573 -6.882 -1.301 1.00 0.00 O +ATOM 162 CB ASP A 9 1.212 -4.694 -2.814 1.00 0.00 C +ATOM 163 CG ASP A 9 1.583 -4.991 -4.272 1.00 0.00 C +ATOM 164 OD1 ASP A 9 0.662 -5.343 -5.038 1.00 0.00 O +ATOM 165 OD2 ASP A 9 2.782 -4.809 -4.612 1.00 0.00 O +ATOM 166 H ASP A 9 -0.962 -4.430 -1.556 1.00 0.00 H +ATOM 167 HA ASP A 9 0.358 -6.689 -2.785 1.00 0.00 H +ATOM 168 HB2 ASP A 9 0.541 -3.857 -2.802 1.00 0.00 H +ATOM 169 HB3 ASP A 9 2.121 -4.414 -2.279 1.00 0.00 H +ATOM 170 N GLY A 10 1.125 -6.270 0.304 1.00 0.00 N +ATOM 171 CA GLY A 10 1.936 -6.685 1.451 1.00 0.00 C +ATOM 172 C GLY A 10 2.565 -5.530 2.237 1.00 0.00 C +ATOM 173 O GLY A 10 3.424 -5.778 3.084 1.00 0.00 O +ATOM 174 H GLY A 10 0.211 -5.877 0.508 1.00 0.00 H +ATOM 175 HA2 GLY A 10 1.298 -7.243 2.136 1.00 0.00 H +ATOM 176 HA3 GLY A 10 2.735 -7.352 1.125 1.00 0.00 H +ATOM 177 N GLY A 11 2.184 -4.272 1.973 1.00 0.00 N +ATOM 178 CA GLY A 11 2.732 -3.116 2.683 1.00 0.00 C +ATOM 179 C GLY A 11 4.265 -3.035 2.545 1.00 0.00 C +ATOM 180 O GLY A 11 4.771 -3.134 1.422 1.00 0.00 O +ATOM 181 H GLY A 11 1.507 -4.103 1.237 1.00 0.00 H +ATOM 182 HA2 GLY A 11 2.296 -2.204 2.279 1.00 0.00 H +ATOM 183 HA3 GLY A 11 2.443 -3.201 3.729 1.00 0.00 H +ATOM 184 N PRO A 12 5.029 -2.881 3.651 1.00 0.00 N +ATOM 185 CA PRO A 12 6.491 -2.829 3.600 1.00 0.00 C +ATOM 186 C PRO A 12 7.138 -4.072 2.966 1.00 0.00 C +ATOM 187 O PRO A 12 8.211 -3.949 2.375 1.00 0.00 O +ATOM 188 CB PRO A 12 6.970 -2.642 5.048 1.00 0.00 C +ATOM 189 CG PRO A 12 5.734 -2.162 5.806 1.00 0.00 C +ATOM 190 CD PRO A 12 4.578 -2.795 5.033 1.00 0.00 C +ATOM 191 HA PRO A 12 6.783 -1.953 3.019 1.00 0.00 H +ATOM 192 HB2 PRO A 12 7.325 -3.570 5.452 1.00 0.00 H +ATOM 193 HB3 PRO A 12 7.775 -1.907 5.107 1.00 0.00 H +ATOM 194 HG2 PRO A 12 5.750 -2.505 6.823 1.00 0.00 H +ATOM 195 HG3 PRO A 12 5.663 -1.077 5.744 1.00 0.00 H +ATOM 196 HD2 PRO A 12 4.362 -3.773 5.418 1.00 0.00 H +ATOM 197 HD3 PRO A 12 3.684 -2.179 5.140 1.00 0.00 H +ATOM 198 N SER A 13 6.492 -5.249 3.030 1.00 0.00 N +ATOM 199 CA SER A 13 7.032 -6.510 2.502 1.00 0.00 C +ATOM 200 C SER A 13 7.252 -6.475 0.991 1.00 0.00 C +ATOM 201 O SER A 13 8.198 -7.085 0.501 1.00 0.00 O +ATOM 202 CB SER A 13 6.085 -7.675 2.806 1.00 0.00 C +ATOM 203 OG SER A 13 5.872 -7.807 4.197 1.00 0.00 O +ATOM 204 H SER A 13 5.578 -5.299 3.472 1.00 0.00 H +ATOM 205 HA SER A 13 7.994 -6.707 2.977 1.00 0.00 H +ATOM 206 HB2 SER A 13 5.144 -7.497 2.322 1.00 0.00 H +ATOM 207 HB3 SER A 13 6.513 -8.600 2.417 1.00 0.00 H +ATOM 208 HG SER A 13 6.506 -8.436 4.551 1.00 0.00 H +ATOM 209 N SER A 14 6.398 -5.751 0.257 1.00 0.00 N +ATOM 210 CA SER A 14 6.540 -5.569 -1.189 1.00 0.00 C +ATOM 211 C SER A 14 7.723 -4.673 -1.582 1.00 0.00 C +ATOM 212 O SER A 14 8.110 -4.660 -2.750 1.00 0.00 O +ATOM 213 CB SER A 14 5.248 -4.986 -1.771 1.00 0.00 C +ATOM 214 OG SER A 14 4.583 -5.979 -2.515 1.00 0.00 O +ATOM 215 H SER A 14 5.654 -5.262 0.743 1.00 0.00 H +ATOM 216 HA SER A 14 6.710 -6.543 -1.651 1.00 0.00 H +ATOM 217 HB2 SER A 14 4.614 -4.652 -0.972 1.00 0.00 H +ATOM 218 HB3 SER A 14 5.507 -4.180 -2.451 1.00 0.00 H +ATOM 219 HG SER A 14 3.809 -6.342 -2.003 1.00 0.00 H +ATOM 220 N GLY A 15 8.298 -3.917 -0.635 1.00 0.00 N +ATOM 221 CA GLY A 15 9.467 -3.068 -0.877 1.00 0.00 C +ATOM 222 C GLY A 15 9.130 -1.720 -1.522 1.00 0.00 C +ATOM 223 O GLY A 15 9.898 -1.231 -2.349 1.00 0.00 O +ATOM 224 H GLY A 15 7.970 -4.008 0.322 1.00 0.00 H +ATOM 225 HA2 GLY A 15 9.963 -2.879 0.074 1.00 0.00 H +ATOM 226 HA3 GLY A 15 10.166 -3.596 -1.527 1.00 0.00 H +ATOM 227 N ARG A 16 7.986 -1.120 -1.164 1.00 0.00 N +ATOM 228 CA ARG A 16 7.493 0.155 -1.712 1.00 0.00 C +ATOM 229 C ARG A 16 6.893 1.052 -0.617 1.00 0.00 C +ATOM 230 O ARG A 16 6.228 0.526 0.276 1.00 0.00 O +ATOM 231 CB ARG A 16 6.486 -0.108 -2.852 1.00 0.00 C +ATOM 232 CG ARG A 16 5.371 -1.121 -2.515 1.00 0.00 C +ATOM 233 CD ARG A 16 4.390 -1.352 -3.682 1.00 0.00 C +ATOM 234 NE ARG A 16 4.505 -2.695 -4.282 1.00 0.00 N +ATOM 235 CZ ARG A 16 5.417 -3.159 -5.117 1.00 0.00 C +ATOM 236 NH1 ARG A 16 6.381 -2.403 -5.595 1.00 0.00 N +ATOM 237 NH2 ARG A 16 5.336 -4.410 -5.482 1.00 0.00 N +ATOM 238 H ARG A 16 7.428 -1.572 -0.451 1.00 0.00 H +ATOM 239 HA ARG A 16 8.348 0.677 -2.139 1.00 0.00 H +ATOM 240 HB2 ARG A 16 6.022 0.825 -3.109 1.00 0.00 H +ATOM 241 HB3 ARG A 16 7.046 -0.475 -3.709 1.00 0.00 H +ATOM 242 HG2 ARG A 16 5.827 -2.059 -2.261 1.00 0.00 H +ATOM 243 HG3 ARG A 16 4.805 -0.751 -1.666 1.00 0.00 H +ATOM 244 HD2 ARG A 16 3.389 -1.227 -3.316 1.00 0.00 H +ATOM 245 HD3 ARG A 16 4.531 -0.590 -4.449 1.00 0.00 H +ATOM 246 HE ARG A 16 3.776 -3.394 -4.104 1.00 0.00 H +ATOM 247 HH11 ARG A 16 6.393 -1.440 -5.320 1.00 0.00 H +ATOM 248 HH12 ARG A 16 7.062 -2.775 -6.231 1.00 0.00 H +ATOM 249 HH21 ARG A 16 4.489 -4.903 -5.147 1.00 0.00 H +ATOM 250 HH22 ARG A 16 6.023 -4.858 -6.055 1.00 0.00 H +ATOM 251 N PRO A 17 7.075 2.387 -0.684 1.00 0.00 N +ATOM 252 CA PRO A 17 6.538 3.322 0.308 1.00 0.00 C +ATOM 253 C PRO A 17 5.011 3.481 0.186 1.00 0.00 C +ATOM 254 O PRO A 17 4.452 3.191 -0.874 1.00 0.00 O +ATOM 255 CB PRO A 17 7.258 4.647 0.031 1.00 0.00 C +ATOM 256 CG PRO A 17 7.545 4.595 -1.468 1.00 0.00 C +ATOM 257 CD PRO A 17 7.782 3.109 -1.733 1.00 0.00 C +ATOM 258 HA PRO A 17 6.789 2.972 1.310 1.00 0.00 H +ATOM 259 HB2 PRO A 17 6.629 5.482 0.272 1.00 0.00 H +ATOM 260 HB3 PRO A 17 8.199 4.671 0.582 1.00 0.00 H +ATOM 261 HG2 PRO A 17 6.707 4.957 -2.032 1.00 0.00 H +ATOM 262 HG3 PRO A 17 8.418 5.192 -1.732 1.00 0.00 H +ATOM 263 HD2 PRO A 17 7.395 2.837 -2.696 1.00 0.00 H +ATOM 264 HD3 PRO A 17 8.849 2.890 -1.670 1.00 0.00 H +ATOM 265 N PRO A 18 4.330 3.962 1.245 1.00 0.00 N +ATOM 266 CA PRO A 18 2.890 4.179 1.221 1.00 0.00 C +ATOM 267 C PRO A 18 2.501 5.385 0.341 1.00 0.00 C +ATOM 268 O PRO A 18 3.270 6.342 0.211 1.00 0.00 O +ATOM 269 CB PRO A 18 2.483 4.404 2.680 1.00 0.00 C +ATOM 270 CG PRO A 18 3.743 4.989 3.313 1.00 0.00 C +ATOM 271 CD PRO A 18 4.873 4.294 2.554 1.00 0.00 C +ATOM 272 HA PRO A 18 2.410 3.277 0.849 1.00 0.00 H +ATOM 273 HB2 PRO A 18 1.664 5.093 2.748 1.00 0.00 H +ATOM 274 HB3 PRO A 18 2.248 3.446 3.144 1.00 0.00 H +ATOM 275 HG2 PRO A 18 3.784 6.052 3.175 1.00 0.00 H +ATOM 276 HG3 PRO A 18 3.788 4.783 4.383 1.00 0.00 H +ATOM 277 HD2 PRO A 18 5.715 4.952 2.453 1.00 0.00 H +ATOM 278 HD3 PRO A 18 5.153 3.376 3.072 1.00 0.00 H +ATOM 279 N PRO A 19 1.280 5.377 -0.223 1.00 0.00 N +ATOM 280 CA PRO A 19 0.762 6.450 -1.060 1.00 0.00 C +ATOM 281 C PRO A 19 0.382 7.663 -0.198 1.00 0.00 C +ATOM 282 O PRO A 19 -0.624 7.631 0.512 1.00 0.00 O +ATOM 283 CB PRO A 19 -0.435 5.840 -1.790 1.00 0.00 C +ATOM 284 CG PRO A 19 -0.951 4.783 -0.812 1.00 0.00 C +ATOM 285 CD PRO A 19 0.299 4.311 -0.088 1.00 0.00 C +ATOM 286 HA PRO A 19 1.508 6.751 -1.796 1.00 0.00 H +ATOM 287 HB2 PRO A 19 -1.185 6.582 -1.983 1.00 0.00 H +ATOM 288 HB3 PRO A 19 -0.088 5.348 -2.699 1.00 0.00 H +ATOM 289 HG2 PRO A 19 -1.652 5.211 -0.122 1.00 0.00 H +ATOM 290 HG3 PRO A 19 -1.423 3.952 -1.333 1.00 0.00 H +ATOM 291 HD2 PRO A 19 0.083 4.134 0.948 1.00 0.00 H +ATOM 292 HD3 PRO A 19 0.683 3.414 -0.572 1.00 0.00 H +ATOM 293 N SER A 20 1.217 8.708 -0.251 1.00 0.00 N +ATOM 294 CA SER A 20 0.998 10.004 0.410 1.00 0.00 C +ATOM 295 C SER A 20 0.315 10.992 -0.534 1.00 0.00 C +ATOM 296 O SER A 20 0.887 11.215 -1.624 1.00 0.00 O +ATOM 297 CB SER A 20 2.322 10.595 0.894 1.00 0.00 C +ATOM 298 OG SER A 20 2.966 9.680 1.760 1.00 0.00 O +ATOM 299 OXT SER A 20 -0.750 11.510 -0.139 1.00 0.00 O +ATOM 300 H SER A 20 1.987 8.656 -0.900 1.00 0.00 H +ATOM 301 HA SER A 20 0.337 9.875 1.267 1.00 0.00 H +ATOM 302 HB2 SER A 20 2.954 10.792 0.050 1.00 0.00 H +ATOM 303 HB3 SER A 20 2.127 11.529 1.425 1.00 0.00 H +ATOM 304 HG SER A 20 3.007 8.832 1.306 1.00 0.00 H +TER 305 SER A 20 +ENDMDL +MODEL 22 +ATOM 1 N ASN A 1 -7.147 6.420 -0.321 1.00 0.00 N +ATOM 2 CA ASN A 1 -7.735 5.239 -1.002 1.00 0.00 C +ATOM 3 C ASN A 1 -6.654 4.233 -1.423 1.00 0.00 C +ATOM 4 O ASN A 1 -6.828 3.043 -1.189 1.00 0.00 O +ATOM 5 CB ASN A 1 -8.631 5.670 -2.180 1.00 0.00 C +ATOM 6 CG ASN A 1 -7.791 6.178 -3.342 1.00 0.00 C +ATOM 7 OD1 ASN A 1 -6.938 7.030 -3.134 1.00 0.00 O +ATOM 8 ND2 ASN A 1 -7.925 5.610 -4.527 1.00 0.00 N +ATOM 9 H1 ASN A 1 -6.444 6.132 0.344 1.00 0.00 H +ATOM 10 H2 ASN A 1 -6.730 7.032 -1.016 1.00 0.00 H +ATOM 11 H3 ASN A 1 -7.869 6.934 0.166 1.00 0.00 H +ATOM 12 HA ASN A 1 -8.365 4.712 -0.285 1.00 0.00 H +ATOM 13 HB2 ASN A 1 -9.211 4.828 -2.507 1.00 0.00 H +ATOM 14 HB3 ASN A 1 -9.301 6.470 -1.860 1.00 0.00 H +ATOM 15 HD21 ASN A 1 -8.593 4.875 -4.704 1.00 0.00 H +ATOM 16 HD22 ASN A 1 -7.334 5.964 -5.263 1.00 0.00 H +ATOM 17 N LEU A 2 -5.522 4.698 -1.980 1.00 0.00 N +ATOM 18 CA LEU A 2 -4.409 3.863 -2.457 1.00 0.00 C +ATOM 19 C LEU A 2 -3.793 2.972 -1.363 1.00 0.00 C +ATOM 20 O LEU A 2 -3.233 1.920 -1.669 1.00 0.00 O +ATOM 21 CB LEU A 2 -3.326 4.784 -3.046 1.00 0.00 C +ATOM 22 CG LEU A 2 -3.749 5.553 -4.315 1.00 0.00 C +ATOM 23 CD1 LEU A 2 -2.850 6.776 -4.507 1.00 0.00 C +ATOM 24 CD2 LEU A 2 -3.680 4.665 -5.559 1.00 0.00 C +ATOM 25 H LEU A 2 -5.460 5.679 -2.226 1.00 0.00 H +ATOM 26 HA LEU A 2 -4.775 3.199 -3.243 1.00 0.00 H +ATOM 27 HB2 LEU A 2 -3.054 5.502 -2.296 1.00 0.00 H +ATOM 28 HB3 LEU A 2 -2.440 4.192 -3.280 1.00 0.00 H +ATOM 29 HG LEU A 2 -4.770 5.913 -4.203 1.00 0.00 H +ATOM 30 HD11 LEU A 2 -2.889 7.409 -3.621 1.00 0.00 H +ATOM 31 HD12 LEU A 2 -1.821 6.467 -4.687 1.00 0.00 H +ATOM 32 HD13 LEU A 2 -3.206 7.360 -5.357 1.00 0.00 H +ATOM 33 HD21 LEU A 2 -2.700 4.193 -5.633 1.00 0.00 H +ATOM 34 HD22 LEU A 2 -4.449 3.893 -5.510 1.00 0.00 H +ATOM 35 HD23 LEU A 2 -3.847 5.268 -6.452 1.00 0.00 H +ATOM 36 N TYR A 3 -3.931 3.366 -0.089 1.00 0.00 N +ATOM 37 CA TYR A 3 -3.447 2.623 1.074 1.00 0.00 C +ATOM 38 C TYR A 3 -3.964 1.180 1.109 1.00 0.00 C +ATOM 39 O TYR A 3 -3.229 0.272 1.491 1.00 0.00 O +ATOM 40 CB TYR A 3 -3.837 3.358 2.368 1.00 0.00 C +ATOM 41 CG TYR A 3 -2.695 3.445 3.358 1.00 0.00 C +ATOM 42 CD1 TYR A 3 -2.319 2.321 4.114 1.00 0.00 C +ATOM 43 CD2 TYR A 3 -1.990 4.653 3.499 1.00 0.00 C +ATOM 44 CE1 TYR A 3 -1.242 2.408 5.016 1.00 0.00 C +ATOM 45 CE2 TYR A 3 -0.914 4.751 4.400 1.00 0.00 C +ATOM 46 CZ TYR A 3 -0.539 3.622 5.162 1.00 0.00 C +ATOM 47 OH TYR A 3 0.485 3.702 6.054 1.00 0.00 O +ATOM 48 H TYR A 3 -4.371 4.256 0.070 1.00 0.00 H +ATOM 49 HA TYR A 3 -2.359 2.584 1.015 1.00 0.00 H +ATOM 50 HB2 TYR A 3 -4.150 4.353 2.117 1.00 0.00 H +ATOM 51 HB3 TYR A 3 -4.678 2.850 2.844 1.00 0.00 H +ATOM 52 HD1 TYR A 3 -2.858 1.392 4.001 1.00 0.00 H +ATOM 53 HD2 TYR A 3 -2.289 5.504 2.906 1.00 0.00 H +ATOM 54 HE1 TYR A 3 -0.942 1.554 5.604 1.00 0.00 H +ATOM 55 HE2 TYR A 3 -0.364 5.678 4.516 1.00 0.00 H +ATOM 56 HH TYR A 3 0.190 4.071 6.890 1.00 0.00 H +ATOM 57 N ILE A 4 -5.213 0.963 0.670 1.00 0.00 N +ATOM 58 CA ILE A 4 -5.823 -0.366 0.587 1.00 0.00 C +ATOM 59 C ILE A 4 -5.035 -1.235 -0.401 1.00 0.00 C +ATOM 60 O ILE A 4 -4.639 -2.349 -0.066 1.00 0.00 O +ATOM 61 CB ILE A 4 -7.315 -0.267 0.189 1.00 0.00 C +ATOM 62 CG1 ILE A 4 -8.131 0.588 1.186 1.00 0.00 C +ATOM 63 CG2 ILE A 4 -7.906 -1.688 0.098 1.00 0.00 C +ATOM 64 CD1 ILE A 4 -9.426 1.134 0.567 1.00 0.00 C +ATOM 65 H ILE A 4 -5.742 1.753 0.322 1.00 0.00 H +ATOM 66 HA ILE A 4 -5.754 -0.841 1.568 1.00 0.00 H +ATOM 67 HB ILE A 4 -7.380 0.200 -0.796 1.00 0.00 H +ATOM 68 HG12 ILE A 4 -8.384 -0.019 2.034 1.00 0.00 H +ATOM 69 HG13 ILE A 4 -7.554 1.453 1.513 1.00 0.00 H +ATOM 70 HG21 ILE A 4 -7.613 -2.155 -0.842 1.00 0.00 H +ATOM 71 HG22 ILE A 4 -7.546 -2.302 0.925 1.00 0.00 H +ATOM 72 HG23 ILE A 4 -8.995 -1.665 0.139 1.00 0.00 H +ATOM 73 HD11 ILE A 4 -9.186 1.834 -0.233 1.00 0.00 H +ATOM 74 HD12 ILE A 4 -10.035 0.325 0.163 1.00 0.00 H +ATOM 75 HD13 ILE A 4 -10.000 1.657 1.332 1.00 0.00 H +ATOM 76 N GLN A 5 -4.770 -0.707 -1.602 1.00 0.00 N +ATOM 77 CA GLN A 5 -4.004 -1.401 -2.634 1.00 0.00 C +ATOM 78 C GLN A 5 -2.557 -1.659 -2.193 1.00 0.00 C +ATOM 79 O GLN A 5 -2.034 -2.749 -2.416 1.00 0.00 O +ATOM 80 CB GLN A 5 -4.064 -0.600 -3.951 1.00 0.00 C +ATOM 81 CG GLN A 5 -4.101 -1.517 -5.182 1.00 0.00 C +ATOM 82 CD GLN A 5 -5.437 -2.250 -5.294 1.00 0.00 C +ATOM 83 OE1 GLN A 5 -6.433 -1.708 -5.744 1.00 0.00 O +ATOM 84 NE2 GLN A 5 -5.519 -3.495 -4.863 1.00 0.00 N +ATOM 85 H GLN A 5 -5.062 0.244 -1.779 1.00 0.00 H +ATOM 86 HA GLN A 5 -4.475 -2.372 -2.776 1.00 0.00 H +ATOM 87 HB2 GLN A 5 -4.948 0.009 -3.946 1.00 0.00 H +ATOM 88 HB3 GLN A 5 -3.195 0.059 -4.019 1.00 0.00 H +ATOM 89 HG2 GLN A 5 -3.954 -0.923 -6.064 1.00 0.00 H +ATOM 90 HG3 GLN A 5 -3.280 -2.234 -5.138 1.00 0.00 H +ATOM 91 HE21 GLN A 5 -4.727 -3.993 -4.495 1.00 0.00 H +ATOM 92 HE22 GLN A 5 -6.432 -3.902 -4.971 1.00 0.00 H +ATOM 93 N TRP A 6 -1.937 -0.681 -1.518 1.00 0.00 N +ATOM 94 CA TRP A 6 -0.600 -0.811 -0.937 1.00 0.00 C +ATOM 95 C TRP A 6 -0.532 -1.917 0.130 1.00 0.00 C +ATOM 96 O TRP A 6 0.363 -2.764 0.091 1.00 0.00 O +ATOM 97 CB TRP A 6 -0.164 0.545 -0.369 1.00 0.00 C +ATOM 98 CG TRP A 6 1.216 0.547 0.205 1.00 0.00 C +ATOM 99 CD1 TRP A 6 2.366 0.594 -0.508 1.00 0.00 C +ATOM 100 CD2 TRP A 6 1.619 0.456 1.606 1.00 0.00 C +ATOM 101 NE1 TRP A 6 3.444 0.504 0.353 1.00 0.00 N +ATOM 102 CE2 TRP A 6 3.043 0.441 1.664 1.00 0.00 C +ATOM 103 CE3 TRP A 6 0.931 0.375 2.834 1.00 0.00 C +ATOM 104 CZ2 TRP A 6 3.753 0.369 2.869 1.00 0.00 C +ATOM 105 CZ3 TRP A 6 1.631 0.287 4.054 1.00 0.00 C +ATOM 106 CH2 TRP A 6 3.038 0.291 4.074 1.00 0.00 C +ATOM 107 H TRP A 6 -2.437 0.199 -1.406 1.00 0.00 H +ATOM 108 HA TRP A 6 0.095 -1.089 -1.730 1.00 0.00 H +ATOM 109 HB2 TRP A 6 -0.202 1.270 -1.159 1.00 0.00 H +ATOM 110 HB3 TRP A 6 -0.861 0.845 0.413 1.00 0.00 H +ATOM 111 HD1 TRP A 6 2.421 0.666 -1.584 1.00 0.00 H +ATOM 112 HE1 TRP A 6 4.427 0.496 0.079 1.00 0.00 H +ATOM 113 HE3 TRP A 6 -0.148 0.387 2.825 1.00 0.00 H +ATOM 114 HZ2 TRP A 6 4.834 0.356 2.853 1.00 0.00 H +ATOM 115 HZ3 TRP A 6 1.088 0.221 4.984 1.00 0.00 H +ATOM 116 HH2 TRP A 6 3.566 0.226 5.014 1.00 0.00 H +ATOM 117 N LEU A 7 -1.493 -1.950 1.062 1.00 0.00 N +ATOM 118 CA LEU A 7 -1.591 -3.020 2.054 1.00 0.00 C +ATOM 119 C LEU A 7 -1.887 -4.379 1.416 1.00 0.00 C +ATOM 120 O LEU A 7 -1.332 -5.379 1.867 1.00 0.00 O +ATOM 121 CB LEU A 7 -2.648 -2.680 3.119 1.00 0.00 C +ATOM 122 CG LEU A 7 -2.204 -1.596 4.116 1.00 0.00 C +ATOM 123 CD1 LEU A 7 -3.353 -1.276 5.075 1.00 0.00 C +ATOM 124 CD2 LEU A 7 -0.992 -2.019 4.955 1.00 0.00 C +ATOM 125 H LEU A 7 -2.199 -1.215 1.063 1.00 0.00 H +ATOM 126 HA LEU A 7 -0.619 -3.132 2.532 1.00 0.00 H +ATOM 127 HB2 LEU A 7 -3.533 -2.337 2.619 1.00 0.00 H +ATOM 128 HB3 LEU A 7 -2.884 -3.585 3.682 1.00 0.00 H +ATOM 129 HG LEU A 7 -1.950 -0.690 3.572 1.00 0.00 H +ATOM 130 HD11 LEU A 7 -4.247 -1.017 4.508 1.00 0.00 H +ATOM 131 HD12 LEU A 7 -3.565 -2.140 5.705 1.00 0.00 H +ATOM 132 HD13 LEU A 7 -3.079 -0.432 5.708 1.00 0.00 H +ATOM 133 HD21 LEU A 7 -1.200 -2.960 5.466 1.00 0.00 H +ATOM 134 HD22 LEU A 7 -0.115 -2.141 4.324 1.00 0.00 H +ATOM 135 HD23 LEU A 7 -0.770 -1.251 5.695 1.00 0.00 H +ATOM 136 N LYS A 8 -2.704 -4.425 0.351 1.00 0.00 N +ATOM 137 CA LYS A 8 -3.024 -5.667 -0.363 1.00 0.00 C +ATOM 138 C LYS A 8 -1.783 -6.379 -0.902 1.00 0.00 C +ATOM 139 O LYS A 8 -1.714 -7.603 -0.824 1.00 0.00 O +ATOM 140 CB LYS A 8 -4.029 -5.384 -1.498 1.00 0.00 C +ATOM 141 CG LYS A 8 -4.718 -6.666 -1.991 1.00 0.00 C +ATOM 142 CD LYS A 8 -5.727 -7.192 -0.954 1.00 0.00 C +ATOM 143 CE LYS A 8 -5.697 -8.722 -0.865 1.00 0.00 C +ATOM 144 NZ LYS A 8 -6.010 -9.184 0.509 1.00 0.00 N +ATOM 145 H LYS A 8 -3.166 -3.563 0.071 1.00 0.00 H +ATOM 146 HA LYS A 8 -3.461 -6.347 0.365 1.00 0.00 H +ATOM 147 HB2 LYS A 8 -4.778 -4.706 -1.137 1.00 0.00 H +ATOM 148 HB3 LYS A 8 -3.501 -4.924 -2.335 1.00 0.00 H +ATOM 149 HG2 LYS A 8 -5.236 -6.455 -2.907 1.00 0.00 H +ATOM 150 HG3 LYS A 8 -3.961 -7.422 -2.206 1.00 0.00 H +ATOM 151 HD2 LYS A 8 -5.484 -6.782 0.007 1.00 0.00 H +ATOM 152 HD3 LYS A 8 -6.729 -6.861 -1.233 1.00 0.00 H +ATOM 153 HE2 LYS A 8 -6.422 -9.127 -1.544 1.00 0.00 H +ATOM 154 HE3 LYS A 8 -4.703 -9.081 -1.147 1.00 0.00 H +ATOM 155 HZ1 LYS A 8 -5.172 -9.166 1.076 1.00 0.00 H +ATOM 156 HZ2 LYS A 8 -6.699 -8.578 0.933 1.00 0.00 H +ATOM 157 HZ3 LYS A 8 -6.369 -10.130 0.493 1.00 0.00 H +ATOM 158 N ASP A 9 -0.814 -5.616 -1.411 1.00 0.00 N +ATOM 159 CA ASP A 9 0.466 -6.130 -1.902 1.00 0.00 C +ATOM 160 C ASP A 9 1.395 -6.627 -0.772 1.00 0.00 C +ATOM 161 O ASP A 9 2.377 -7.317 -1.041 1.00 0.00 O +ATOM 162 CB ASP A 9 1.145 -5.018 -2.722 1.00 0.00 C +ATOM 163 CG ASP A 9 2.033 -5.572 -3.840 1.00 0.00 C +ATOM 164 OD1 ASP A 9 3.217 -5.858 -3.563 1.00 0.00 O +ATOM 165 OD2 ASP A 9 1.516 -5.670 -4.975 1.00 0.00 O +ATOM 166 H ASP A 9 -0.985 -4.619 -1.475 1.00 0.00 H +ATOM 167 HA ASP A 9 0.267 -6.973 -2.567 1.00 0.00 H +ATOM 168 HB2 ASP A 9 0.385 -4.401 -3.160 1.00 0.00 H +ATOM 169 HB3 ASP A 9 1.730 -4.377 -2.062 1.00 0.00 H +ATOM 170 N GLY A 10 1.124 -6.267 0.493 1.00 0.00 N +ATOM 171 CA GLY A 10 1.948 -6.626 1.656 1.00 0.00 C +ATOM 172 C GLY A 10 2.533 -5.439 2.437 1.00 0.00 C +ATOM 173 O GLY A 10 3.358 -5.653 3.329 1.00 0.00 O +ATOM 174 H GLY A 10 0.279 -5.730 0.656 1.00 0.00 H +ATOM 175 HA2 GLY A 10 1.331 -7.206 2.341 1.00 0.00 H +ATOM 176 HA3 GLY A 10 2.781 -7.257 1.345 1.00 0.00 H +ATOM 177 N GLY A 11 2.128 -4.200 2.126 1.00 0.00 N +ATOM 178 CA GLY A 11 2.561 -2.998 2.829 1.00 0.00 C +ATOM 179 C GLY A 11 4.092 -2.817 2.806 1.00 0.00 C +ATOM 180 O GLY A 11 4.667 -2.692 1.724 1.00 0.00 O +ATOM 181 H GLY A 11 1.538 -4.070 1.311 1.00 0.00 H +ATOM 182 HA2 GLY A 11 2.108 -2.134 2.348 1.00 0.00 H +ATOM 183 HA3 GLY A 11 2.187 -3.048 3.848 1.00 0.00 H +ATOM 184 N PRO A 12 4.785 -2.805 3.967 1.00 0.00 N +ATOM 185 CA PRO A 12 6.246 -2.706 4.011 1.00 0.00 C +ATOM 186 C PRO A 12 6.976 -3.836 3.263 1.00 0.00 C +ATOM 187 O PRO A 12 8.113 -3.645 2.838 1.00 0.00 O +ATOM 188 CB PRO A 12 6.631 -2.710 5.496 1.00 0.00 C +ATOM 189 CG PRO A 12 5.341 -2.359 6.233 1.00 0.00 C +ATOM 190 CD PRO A 12 4.243 -2.888 5.316 1.00 0.00 C +ATOM 191 HA PRO A 12 6.540 -1.751 3.570 1.00 0.00 H +ATOM 192 HB2 PRO A 12 6.984 -3.679 5.793 1.00 0.00 H +ATOM 193 HB3 PRO A 12 7.415 -1.982 5.705 1.00 0.00 H +ATOM 194 HG2 PRO A 12 5.305 -2.841 7.191 1.00 0.00 H +ATOM 195 HG3 PRO A 12 5.252 -1.274 6.318 1.00 0.00 H +ATOM 196 HD2 PRO A 12 4.007 -3.905 5.563 1.00 0.00 H +ATOM 197 HD3 PRO A 12 3.346 -2.281 5.435 1.00 0.00 H +ATOM 198 N SER A 13 6.332 -4.997 3.071 1.00 0.00 N +ATOM 199 CA SER A 13 6.911 -6.174 2.405 1.00 0.00 C +ATOM 200 C SER A 13 6.618 -6.217 0.896 1.00 0.00 C +ATOM 201 O SER A 13 6.579 -7.294 0.305 1.00 0.00 O +ATOM 202 CB SER A 13 6.458 -7.466 3.098 1.00 0.00 C +ATOM 203 OG SER A 13 6.899 -7.491 4.441 1.00 0.00 O +ATOM 204 H SER A 13 5.358 -5.057 3.358 1.00 0.00 H +ATOM 205 HA SER A 13 7.997 -6.129 2.500 1.00 0.00 H +ATOM 206 HB2 SER A 13 5.387 -7.520 3.078 1.00 0.00 H +ATOM 207 HB3 SER A 13 6.893 -8.322 2.581 1.00 0.00 H +ATOM 208 HG SER A 13 6.357 -6.887 4.951 1.00 0.00 H +ATOM 209 N SER A 14 6.432 -5.052 0.265 1.00 0.00 N +ATOM 210 CA SER A 14 6.076 -4.919 -1.157 1.00 0.00 C +ATOM 211 C SER A 14 7.132 -4.174 -1.984 1.00 0.00 C +ATOM 212 O SER A 14 6.929 -3.921 -3.169 1.00 0.00 O +ATOM 213 CB SER A 14 4.715 -4.232 -1.266 1.00 0.00 C +ATOM 214 OG SER A 14 3.775 -4.945 -0.496 1.00 0.00 O +ATOM 215 H SER A 14 6.365 -4.227 0.848 1.00 0.00 H +ATOM 216 HA SER A 14 5.970 -5.909 -1.604 1.00 0.00 H +ATOM 217 HB2 SER A 14 4.790 -3.226 -0.900 1.00 0.00 H +ATOM 218 HB3 SER A 14 4.396 -4.200 -2.306 1.00 0.00 H +ATOM 219 HG SER A 14 3.597 -5.804 -0.924 1.00 0.00 H +ATOM 220 N GLY A 15 8.259 -3.794 -1.363 1.00 0.00 N +ATOM 221 CA GLY A 15 9.337 -3.046 -2.017 1.00 0.00 C +ATOM 222 C GLY A 15 8.945 -1.615 -2.403 1.00 0.00 C +ATOM 223 O GLY A 15 9.471 -1.083 -3.379 1.00 0.00 O +ATOM 224 H GLY A 15 8.370 -4.078 -0.400 1.00 0.00 H +ATOM 225 HA2 GLY A 15 10.194 -2.991 -1.346 1.00 0.00 H +ATOM 226 HA3 GLY A 15 9.646 -3.574 -2.921 1.00 0.00 H +ATOM 227 N ARG A 16 8.005 -1.001 -1.666 1.00 0.00 N +ATOM 228 CA ARG A 16 7.468 0.335 -1.947 1.00 0.00 C +ATOM 229 C ARG A 16 6.939 1.037 -0.683 1.00 0.00 C +ATOM 230 O ARG A 16 6.297 0.382 0.141 1.00 0.00 O +ATOM 231 CB ARG A 16 6.363 0.241 -3.014 1.00 0.00 C +ATOM 232 CG ARG A 16 5.268 -0.802 -2.713 1.00 0.00 C +ATOM 233 CD ARG A 16 4.161 -0.846 -3.770 1.00 0.00 C +ATOM 234 NE ARG A 16 4.681 -1.237 -5.095 1.00 0.00 N +ATOM 235 CZ ARG A 16 5.016 -0.436 -6.099 1.00 0.00 C +ATOM 236 NH1 ARG A 16 4.910 0.871 -6.014 1.00 0.00 N +ATOM 237 NH2 ARG A 16 5.479 -0.936 -7.220 1.00 0.00 N +ATOM 238 H ARG A 16 7.638 -1.499 -0.867 1.00 0.00 H +ATOM 239 HA ARG A 16 8.282 0.927 -2.362 1.00 0.00 H +ATOM 240 HB2 ARG A 16 5.895 1.203 -3.097 1.00 0.00 H +ATOM 241 HB3 ARG A 16 6.844 -0.019 -3.959 1.00 0.00 H +ATOM 242 HG2 ARG A 16 5.727 -1.771 -2.660 1.00 0.00 H +ATOM 243 HG3 ARG A 16 4.810 -0.587 -1.750 1.00 0.00 H +ATOM 244 HD2 ARG A 16 3.418 -1.558 -3.465 1.00 0.00 H +ATOM 245 HD3 ARG A 16 3.662 0.123 -3.814 1.00 0.00 H +ATOM 246 HE ARG A 16 4.831 -2.228 -5.227 1.00 0.00 H +ATOM 247 HH11 ARG A 16 4.571 1.257 -5.151 1.00 0.00 H +ATOM 248 HH12 ARG A 16 5.171 1.470 -6.773 1.00 0.00 H +ATOM 249 HH21 ARG A 16 5.580 -1.932 -7.319 1.00 0.00 H +ATOM 250 HH22 ARG A 16 5.740 -0.329 -7.975 1.00 0.00 H +ATOM 251 N PRO A 17 7.146 2.361 -0.541 1.00 0.00 N +ATOM 252 CA PRO A 17 6.642 3.137 0.592 1.00 0.00 C +ATOM 253 C PRO A 17 5.117 3.361 0.511 1.00 0.00 C +ATOM 254 O PRO A 17 4.532 3.158 -0.557 1.00 0.00 O +ATOM 255 CB PRO A 17 7.416 4.460 0.520 1.00 0.00 C +ATOM 256 CG PRO A 17 7.671 4.652 -0.972 1.00 0.00 C +ATOM 257 CD PRO A 17 7.829 3.228 -1.493 1.00 0.00 C +ATOM 258 HA PRO A 17 6.878 2.623 1.524 1.00 0.00 H +ATOM 259 HB2 PRO A 17 6.830 5.268 0.915 1.00 0.00 H +ATOM 260 HB3 PRO A 17 8.368 4.346 1.042 1.00 0.00 H +ATOM 261 HG2 PRO A 17 6.841 5.143 -1.443 1.00 0.00 H +ATOM 262 HG3 PRO A 17 8.569 5.244 -1.152 1.00 0.00 H +ATOM 263 HD2 PRO A 17 7.382 3.137 -2.464 1.00 0.00 H +ATOM 264 HD3 PRO A 17 8.886 2.963 -1.532 1.00 0.00 H +ATOM 265 N PRO A 18 4.468 3.790 1.613 1.00 0.00 N +ATOM 266 CA PRO A 18 3.035 4.076 1.629 1.00 0.00 C +ATOM 267 C PRO A 18 2.678 5.275 0.730 1.00 0.00 C +ATOM 268 O PRO A 18 3.501 6.177 0.557 1.00 0.00 O +ATOM 269 CB PRO A 18 2.681 4.342 3.098 1.00 0.00 C +ATOM 270 CG PRO A 18 3.998 4.812 3.711 1.00 0.00 C +ATOM 271 CD PRO A 18 5.049 4.030 2.928 1.00 0.00 C +ATOM 272 HA PRO A 18 2.502 3.188 1.294 1.00 0.00 H +ATOM 273 HB2 PRO A 18 1.929 5.103 3.178 1.00 0.00 H +ATOM 274 HB3 PRO A 18 2.369 3.411 3.573 1.00 0.00 H +ATOM 275 HG2 PRO A 18 4.128 5.869 3.579 1.00 0.00 H +ATOM 276 HG3 PRO A 18 4.048 4.597 4.778 1.00 0.00 H +ATOM 277 HD2 PRO A 18 5.952 4.603 2.839 1.00 0.00 H +ATOM 278 HD3 PRO A 18 5.240 3.074 3.417 1.00 0.00 H +ATOM 279 N PRO A 19 1.456 5.312 0.158 1.00 0.00 N +ATOM 280 CA PRO A 19 1.020 6.389 -0.730 1.00 0.00 C +ATOM 281 C PRO A 19 0.573 7.658 0.014 1.00 0.00 C +ATOM 282 O PRO A 19 0.781 8.756 -0.501 1.00 0.00 O +ATOM 283 CB PRO A 19 -0.147 5.799 -1.525 1.00 0.00 C +ATOM 284 CG PRO A 19 -0.739 4.750 -0.582 1.00 0.00 C +ATOM 285 CD PRO A 19 0.461 4.252 0.217 1.00 0.00 C +ATOM 286 HA PRO A 19 1.824 6.660 -1.417 1.00 0.00 H +ATOM 287 HB2 PRO A 19 -0.871 6.555 -1.758 1.00 0.00 H +ATOM 288 HB3 PRO A 19 0.235 5.311 -2.422 1.00 0.00 H +ATOM 289 HG2 PRO A 19 -1.472 5.190 0.066 1.00 0.00 H +ATOM 290 HG3 PRO A 19 -1.196 3.933 -1.136 1.00 0.00 H +ATOM 291 HD2 PRO A 19 0.178 4.064 1.235 1.00 0.00 H +ATOM 292 HD3 PRO A 19 0.863 3.356 -0.255 1.00 0.00 H +ATOM 293 N SER A 20 -0.071 7.506 1.180 1.00 0.00 N +ATOM 294 CA SER A 20 -0.495 8.598 2.070 1.00 0.00 C +ATOM 295 C SER A 20 0.609 8.944 3.064 1.00 0.00 C +ATOM 296 O SER A 20 0.894 10.155 3.181 1.00 0.00 O +ATOM 297 CB SER A 20 -1.736 8.215 2.879 1.00 0.00 C +ATOM 298 OG SER A 20 -2.830 7.879 2.044 1.00 0.00 O +ATOM 299 OXT SER A 20 1.084 7.996 3.730 1.00 0.00 O +ATOM 300 H SER A 20 -0.157 6.569 1.538 1.00 0.00 H +ATOM 301 HA SER A 20 -0.699 9.493 1.486 1.00 0.00 H +ATOM 302 HB2 SER A 20 -1.500 7.370 3.497 1.00 0.00 H +ATOM 303 HB3 SER A 20 -2.011 9.052 3.523 1.00 0.00 H +ATOM 304 HG SER A 20 -3.169 8.700 1.678 1.00 0.00 H +TER 305 SER A 20 +ENDMDL +MODEL 23 +ATOM 1 N ASN A 1 -8.995 5.512 -1.807 1.00 0.00 N +ATOM 2 CA ASN A 1 -8.139 5.500 -0.596 1.00 0.00 C +ATOM 3 C ASN A 1 -6.657 5.213 -0.847 1.00 0.00 C +ATOM 4 O ASN A 1 -5.857 5.704 -0.062 1.00 0.00 O +ATOM 5 CB ASN A 1 -8.684 4.564 0.498 1.00 0.00 C +ATOM 6 CG ASN A 1 -9.123 5.373 1.709 1.00 0.00 C +ATOM 7 OD1 ASN A 1 -10.305 5.507 1.971 1.00 0.00 O +ATOM 8 ND2 ASN A 1 -8.201 5.977 2.436 1.00 0.00 N +ATOM 9 H1 ASN A 1 -8.610 6.132 -2.507 1.00 0.00 H +ATOM 10 H2 ASN A 1 -9.086 4.582 -2.189 1.00 0.00 H +ATOM 11 H3 ASN A 1 -9.920 5.841 -1.561 1.00 0.00 H +ATOM 12 HA ASN A 1 -8.157 6.511 -0.184 1.00 0.00 H +ATOM 13 HB2 ASN A 1 -9.524 4.019 0.112 1.00 0.00 H +ATOM 14 HB3 ASN A 1 -7.920 3.855 0.818 1.00 0.00 H +ATOM 15 HD21 ASN A 1 -7.210 5.924 2.252 1.00 0.00 H +ATOM 16 HD22 ASN A 1 -8.568 6.492 3.222 1.00 0.00 H +ATOM 17 N LEU A 2 -6.287 4.419 -1.870 1.00 0.00 N +ATOM 18 CA LEU A 2 -4.918 3.992 -2.233 1.00 0.00 C +ATOM 19 C LEU A 2 -4.198 3.117 -1.189 1.00 0.00 C +ATOM 20 O LEU A 2 -3.649 2.074 -1.544 1.00 0.00 O +ATOM 21 CB LEU A 2 -4.033 5.181 -2.661 1.00 0.00 C +ATOM 22 CG LEU A 2 -4.577 5.992 -3.859 1.00 0.00 C +ATOM 23 CD1 LEU A 2 -5.182 7.328 -3.410 1.00 0.00 C +ATOM 24 CD2 LEU A 2 -3.464 6.283 -4.867 1.00 0.00 C +ATOM 25 H LEU A 2 -6.993 4.011 -2.461 1.00 0.00 H +ATOM 26 HA LEU A 2 -5.014 3.355 -3.115 1.00 0.00 H +ATOM 27 HB2 LEU A 2 -3.937 5.845 -1.824 1.00 0.00 H +ATOM 28 HB3 LEU A 2 -3.061 4.766 -2.935 1.00 0.00 H +ATOM 29 HG LEU A 2 -5.348 5.414 -4.371 1.00 0.00 H +ATOM 30 HD11 LEU A 2 -6.031 7.162 -2.754 1.00 0.00 H +ATOM 31 HD12 LEU A 2 -4.432 7.916 -2.879 1.00 0.00 H +ATOM 32 HD13 LEU A 2 -5.517 7.893 -4.282 1.00 0.00 H +ATOM 33 HD21 LEU A 2 -2.669 6.860 -4.395 1.00 0.00 H +ATOM 34 HD22 LEU A 2 -3.056 5.346 -5.245 1.00 0.00 H +ATOM 35 HD23 LEU A 2 -3.867 6.848 -5.709 1.00 0.00 H +ATOM 36 N TYR A 3 -4.220 3.498 0.091 1.00 0.00 N +ATOM 37 CA TYR A 3 -3.550 2.790 1.185 1.00 0.00 C +ATOM 38 C TYR A 3 -3.980 1.315 1.283 1.00 0.00 C +ATOM 39 O TYR A 3 -3.150 0.440 1.515 1.00 0.00 O +ATOM 40 CB TYR A 3 -3.809 3.544 2.496 1.00 0.00 C +ATOM 41 CG TYR A 3 -2.752 3.301 3.554 1.00 0.00 C +ATOM 42 CD1 TYR A 3 -2.869 2.215 4.443 1.00 0.00 C +ATOM 43 CD2 TYR A 3 -1.653 4.178 3.655 1.00 0.00 C +ATOM 44 CE1 TYR A 3 -1.899 2.018 5.443 1.00 0.00 C +ATOM 45 CE2 TYR A 3 -0.683 3.985 4.655 1.00 0.00 C +ATOM 46 CZ TYR A 3 -0.812 2.911 5.561 1.00 0.00 C +ATOM 47 OH TYR A 3 0.085 2.742 6.568 1.00 0.00 O +ATOM 48 H TYR A 3 -4.660 4.395 0.286 1.00 0.00 H +ATOM 49 HA TYR A 3 -2.478 2.809 0.991 1.00 0.00 H +ATOM 50 HB2 TYR A 3 -3.840 4.595 2.283 1.00 0.00 H +ATOM 51 HB3 TYR A 3 -4.790 3.270 2.890 1.00 0.00 H +ATOM 52 HD1 TYR A 3 -3.710 1.538 4.369 1.00 0.00 H +ATOM 53 HD2 TYR A 3 -1.555 5.018 2.982 1.00 0.00 H +ATOM 54 HE1 TYR A 3 -1.977 1.210 6.151 1.00 0.00 H +ATOM 55 HE2 TYR A 3 0.149 4.672 4.736 1.00 0.00 H +ATOM 56 HH TYR A 3 0.563 3.552 6.750 1.00 0.00 H +ATOM 57 N ILE A 4 -5.264 1.030 1.024 1.00 0.00 N +ATOM 58 CA ILE A 4 -5.827 -0.326 0.952 1.00 0.00 C +ATOM 59 C ILE A 4 -5.114 -1.151 -0.131 1.00 0.00 C +ATOM 60 O ILE A 4 -4.658 -2.257 0.147 1.00 0.00 O +ATOM 61 CB ILE A 4 -7.356 -0.272 0.705 1.00 0.00 C +ATOM 62 CG1 ILE A 4 -8.110 0.581 1.757 1.00 0.00 C +ATOM 63 CG2 ILE A 4 -7.947 -1.695 0.687 1.00 0.00 C +ATOM 64 CD1 ILE A 4 -9.451 1.106 1.228 1.00 0.00 C +ATOM 65 H ILE A 4 -5.870 1.816 0.855 1.00 0.00 H +ATOM 66 HA ILE A 4 -5.652 -0.820 1.909 1.00 0.00 H +ATOM 67 HB ILE A 4 -7.515 0.178 -0.278 1.00 0.00 H +ATOM 68 HG12 ILE A 4 -8.294 -0.024 2.624 1.00 0.00 H +ATOM 69 HG13 ILE A 4 -7.523 1.453 2.040 1.00 0.00 H +ATOM 70 HG21 ILE A 4 -7.530 -2.276 -0.135 1.00 0.00 H +ATOM 71 HG22 ILE A 4 -7.726 -2.202 1.628 1.00 0.00 H +ATOM 72 HG23 ILE A 4 -9.028 -1.659 0.555 1.00 0.00 H +ATOM 73 HD11 ILE A 4 -9.295 1.636 0.288 1.00 0.00 H +ATOM 74 HD12 ILE A 4 -10.147 0.285 1.062 1.00 0.00 H +ATOM 75 HD13 ILE A 4 -9.883 1.794 1.955 1.00 0.00 H +ATOM 76 N GLN A 5 -4.980 -0.613 -1.354 1.00 0.00 N +ATOM 77 CA GLN A 5 -4.248 -1.254 -2.452 1.00 0.00 C +ATOM 78 C GLN A 5 -2.764 -1.451 -2.115 1.00 0.00 C +ATOM 79 O GLN A 5 -2.210 -2.510 -2.406 1.00 0.00 O +ATOM 80 CB GLN A 5 -4.397 -0.444 -3.752 1.00 0.00 C +ATOM 81 CG GLN A 5 -5.780 -0.585 -4.421 1.00 0.00 C +ATOM 82 CD GLN A 5 -5.677 -1.049 -5.874 1.00 0.00 C +ATOM 83 OE1 GLN A 5 -4.908 -0.532 -6.667 1.00 0.00 O +ATOM 84 NE2 GLN A 5 -6.453 -2.034 -6.287 1.00 0.00 N +ATOM 85 H GLN A 5 -5.284 0.340 -1.486 1.00 0.00 H +ATOM 86 HA GLN A 5 -4.665 -2.247 -2.623 1.00 0.00 H +ATOM 87 HB2 GLN A 5 -4.235 0.592 -3.525 1.00 0.00 H +ATOM 88 HB3 GLN A 5 -3.627 -0.786 -4.446 1.00 0.00 H +ATOM 89 HG2 GLN A 5 -6.358 -1.301 -3.870 1.00 0.00 H +ATOM 90 HG3 GLN A 5 -6.280 0.383 -4.410 1.00 0.00 H +ATOM 91 HE21 GLN A 5 -7.135 -2.486 -5.703 1.00 0.00 H +ATOM 92 HE22 GLN A 5 -6.309 -2.278 -7.253 1.00 0.00 H +ATOM 93 N TRP A 6 -2.122 -0.471 -1.467 1.00 0.00 N +ATOM 94 CA TRP A 6 -0.752 -0.626 -0.970 1.00 0.00 C +ATOM 95 C TRP A 6 -0.626 -1.773 0.051 1.00 0.00 C +ATOM 96 O TRP A 6 0.275 -2.606 -0.073 1.00 0.00 O +ATOM 97 CB TRP A 6 -0.246 0.708 -0.409 1.00 0.00 C +ATOM 98 CG TRP A 6 1.122 0.638 0.187 1.00 0.00 C +ATOM 99 CD1 TRP A 6 2.283 0.580 -0.505 1.00 0.00 C +ATOM 100 CD2 TRP A 6 1.498 0.590 1.599 1.00 0.00 C +ATOM 101 NE1 TRP A 6 3.337 0.446 0.374 1.00 0.00 N +ATOM 102 CE2 TRP A 6 2.919 0.485 1.681 1.00 0.00 C +ATOM 103 CE3 TRP A 6 0.791 0.638 2.820 1.00 0.00 C +ATOM 104 CZ2 TRP A 6 3.609 0.442 2.898 1.00 0.00 C +ATOM 105 CZ3 TRP A 6 1.472 0.592 4.050 1.00 0.00 C +ATOM 106 CH2 TRP A 6 2.875 0.504 4.093 1.00 0.00 C +ATOM 107 H TRP A 6 -2.627 0.394 -1.292 1.00 0.00 H +ATOM 108 HA TRP A 6 -0.116 -0.900 -1.810 1.00 0.00 H +ATOM 109 HB2 TRP A 6 -0.230 1.425 -1.207 1.00 0.00 H +ATOM 110 HB3 TRP A 6 -0.932 1.060 0.358 1.00 0.00 H +ATOM 111 HD1 TRP A 6 2.377 0.619 -1.579 1.00 0.00 H +ATOM 112 HE1 TRP A 6 4.319 0.364 0.099 1.00 0.00 H +ATOM 113 HE3 TRP A 6 -0.286 0.722 2.803 1.00 0.00 H +ATOM 114 HZ2 TRP A 6 4.686 0.366 2.903 1.00 0.00 H +ATOM 115 HZ3 TRP A 6 0.916 0.637 4.976 1.00 0.00 H +ATOM 116 HH2 TRP A 6 3.385 0.485 5.046 1.00 0.00 H +ATOM 117 N LEU A 7 -1.546 -1.866 1.019 1.00 0.00 N +ATOM 118 CA LEU A 7 -1.600 -2.993 1.954 1.00 0.00 C +ATOM 119 C LEU A 7 -1.891 -4.331 1.257 1.00 0.00 C +ATOM 120 O LEU A 7 -1.258 -5.322 1.617 1.00 0.00 O +ATOM 121 CB LEU A 7 -2.629 -2.736 3.069 1.00 0.00 C +ATOM 122 CG LEU A 7 -2.255 -1.624 4.066 1.00 0.00 C +ATOM 123 CD1 LEU A 7 -3.410 -1.464 5.059 1.00 0.00 C +ATOM 124 CD2 LEU A 7 -0.975 -1.930 4.852 1.00 0.00 C +ATOM 125 H LEU A 7 -2.238 -1.124 1.101 1.00 0.00 H +ATOM 126 HA LEU A 7 -0.616 -3.103 2.408 1.00 0.00 H +ATOM 127 HB2 LEU A 7 -3.559 -2.467 2.606 1.00 0.00 H +ATOM 128 HB3 LEU A 7 -2.758 -3.662 3.632 1.00 0.00 H +ATOM 129 HG LEU A 7 -2.117 -0.684 3.539 1.00 0.00 H +ATOM 130 HD11 LEU A 7 -4.330 -1.232 4.522 1.00 0.00 H +ATOM 131 HD12 LEU A 7 -3.546 -2.384 5.627 1.00 0.00 H +ATOM 132 HD13 LEU A 7 -3.198 -0.653 5.753 1.00 0.00 H +ATOM 133 HD21 LEU A 7 -1.059 -2.897 5.349 1.00 0.00 H +ATOM 134 HD22 LEU A 7 -0.117 -1.940 4.182 1.00 0.00 H +ATOM 135 HD23 LEU A 7 -0.809 -1.154 5.600 1.00 0.00 H +ATOM 136 N LYS A 8 -2.780 -4.375 0.246 1.00 0.00 N +ATOM 137 CA LYS A 8 -3.068 -5.596 -0.534 1.00 0.00 C +ATOM 138 C LYS A 8 -1.816 -6.219 -1.151 1.00 0.00 C +ATOM 139 O LYS A 8 -1.740 -7.439 -1.237 1.00 0.00 O +ATOM 140 CB LYS A 8 -4.081 -5.335 -1.662 1.00 0.00 C +ATOM 141 CG LYS A 8 -5.498 -4.986 -1.175 1.00 0.00 C +ATOM 142 CD LYS A 8 -6.576 -5.917 -1.747 1.00 0.00 C +ATOM 143 CE LYS A 8 -6.443 -7.334 -1.176 1.00 0.00 C +ATOM 144 NZ LYS A 8 -7.563 -8.199 -1.611 1.00 0.00 N +ATOM 145 H LYS A 8 -3.304 -3.525 0.051 1.00 0.00 H +ATOM 146 HA LYS A 8 -3.475 -6.350 0.141 1.00 0.00 H +ATOM 147 HB2 LYS A 8 -3.719 -4.518 -2.256 1.00 0.00 H +ATOM 148 HB3 LYS A 8 -4.124 -6.228 -2.289 1.00 0.00 H +ATOM 149 HG2 LYS A 8 -5.519 -5.056 -0.105 1.00 0.00 H +ATOM 150 HG3 LYS A 8 -5.730 -3.973 -1.499 1.00 0.00 H +ATOM 151 HD2 LYS A 8 -7.544 -5.528 -1.496 1.00 0.00 H +ATOM 152 HD3 LYS A 8 -6.493 -5.943 -2.836 1.00 0.00 H +ATOM 153 HE2 LYS A 8 -5.519 -7.762 -1.515 1.00 0.00 H +ATOM 154 HE3 LYS A 8 -6.423 -7.269 -0.084 1.00 0.00 H +ATOM 155 HZ1 LYS A 8 -8.442 -7.832 -1.266 1.00 0.00 H +ATOM 156 HZ2 LYS A 8 -7.603 -8.242 -2.621 1.00 0.00 H +ATOM 157 HZ3 LYS A 8 -7.442 -9.138 -1.253 1.00 0.00 H +ATOM 158 N ASP A 9 -0.849 -5.393 -1.556 1.00 0.00 N +ATOM 159 CA ASP A 9 0.436 -5.853 -2.083 1.00 0.00 C +ATOM 160 C ASP A 9 1.332 -6.506 -1.009 1.00 0.00 C +ATOM 161 O ASP A 9 2.223 -7.275 -1.345 1.00 0.00 O +ATOM 162 CB ASP A 9 1.145 -4.662 -2.744 1.00 0.00 C +ATOM 163 CG ASP A 9 2.097 -5.123 -3.846 1.00 0.00 C +ATOM 164 OD1 ASP A 9 3.259 -5.441 -3.507 1.00 0.00 O +ATOM 165 OD2 ASP A 9 1.661 -5.116 -5.015 1.00 0.00 O +ATOM 166 H ASP A 9 -1.027 -4.396 -1.508 1.00 0.00 H +ATOM 167 HA ASP A 9 0.243 -6.603 -2.852 1.00 0.00 H +ATOM 168 HB2 ASP A 9 0.408 -4.009 -3.170 1.00 0.00 H +ATOM 169 HB3 ASP A 9 1.699 -4.094 -1.991 1.00 0.00 H +ATOM 170 N GLY A 10 1.085 -6.233 0.280 1.00 0.00 N +ATOM 171 CA GLY A 10 1.935 -6.630 1.406 1.00 0.00 C +ATOM 172 C GLY A 10 2.538 -5.448 2.178 1.00 0.00 C +ATOM 173 O GLY A 10 3.381 -5.658 3.052 1.00 0.00 O +ATOM 174 H GLY A 10 0.224 -5.740 0.500 1.00 0.00 H +ATOM 175 HA2 GLY A 10 1.338 -7.217 2.103 1.00 0.00 H +ATOM 176 HA3 GLY A 10 2.755 -7.257 1.056 1.00 0.00 H +ATOM 177 N GLY A 11 2.139 -4.205 1.865 1.00 0.00 N +ATOM 178 CA GLY A 11 2.660 -3.003 2.510 1.00 0.00 C +ATOM 179 C GLY A 11 4.193 -2.919 2.402 1.00 0.00 C +ATOM 180 O GLY A 11 4.722 -3.051 1.294 1.00 0.00 O +ATOM 181 H GLY A 11 1.481 -4.078 1.104 1.00 0.00 H +ATOM 182 HA2 GLY A 11 2.230 -2.129 2.025 1.00 0.00 H +ATOM 183 HA3 GLY A 11 2.339 -3.009 3.550 1.00 0.00 H +ATOM 184 N PRO A 12 4.936 -2.732 3.516 1.00 0.00 N +ATOM 185 CA PRO A 12 6.401 -2.697 3.498 1.00 0.00 C +ATOM 186 C PRO A 12 7.057 -3.980 2.962 1.00 0.00 C +ATOM 187 O PRO A 12 8.194 -3.921 2.498 1.00 0.00 O +ATOM 188 CB PRO A 12 6.843 -2.444 4.945 1.00 0.00 C +ATOM 189 CG PRO A 12 5.600 -1.887 5.633 1.00 0.00 C +ATOM 190 CD PRO A 12 4.459 -2.571 4.884 1.00 0.00 C +ATOM 191 HA PRO A 12 6.718 -1.858 2.877 1.00 0.00 H +ATOM 192 HB2 PRO A 12 7.157 -3.358 5.411 1.00 0.00 H +ATOM 193 HB3 PRO A 12 7.673 -1.736 4.990 1.00 0.00 H +ATOM 194 HG2 PRO A 12 5.587 -2.145 6.675 1.00 0.00 H +ATOM 195 HG3 PRO A 12 5.548 -0.809 5.478 1.00 0.00 H +ATOM 196 HD2 PRO A 12 4.243 -3.527 5.321 1.00 0.00 H +ATOM 197 HD3 PRO A 12 3.561 -1.958 4.940 1.00 0.00 H +ATOM 198 N SER A 13 6.364 -5.132 2.996 1.00 0.00 N +ATOM 199 CA SER A 13 6.922 -6.427 2.577 1.00 0.00 C +ATOM 200 C SER A 13 7.348 -6.452 1.106 1.00 0.00 C +ATOM 201 O SER A 13 8.273 -7.185 0.760 1.00 0.00 O +ATOM 202 CB SER A 13 5.902 -7.544 2.812 1.00 0.00 C +ATOM 203 OG SER A 13 6.513 -8.805 2.628 1.00 0.00 O +ATOM 204 H SER A 13 5.404 -5.115 3.326 1.00 0.00 H +ATOM 205 HA SER A 13 7.802 -6.636 3.185 1.00 0.00 H +ATOM 206 HB2 SER A 13 5.525 -7.475 3.814 1.00 0.00 H +ATOM 207 HB3 SER A 13 5.073 -7.436 2.110 1.00 0.00 H +ATOM 208 HG SER A 13 6.978 -8.809 1.779 1.00 0.00 H +ATOM 209 N SER A 14 6.688 -5.663 0.253 1.00 0.00 N +ATOM 210 CA SER A 14 7.033 -5.491 -1.164 1.00 0.00 C +ATOM 211 C SER A 14 8.036 -4.355 -1.407 1.00 0.00 C +ATOM 212 O SER A 14 8.270 -3.979 -2.556 1.00 0.00 O +ATOM 213 CB SER A 14 5.763 -5.217 -1.973 1.00 0.00 C +ATOM 214 OG SER A 14 4.936 -6.345 -2.040 1.00 0.00 O +ATOM 215 H SER A 14 5.903 -5.135 0.612 1.00 0.00 H +ATOM 216 HA SER A 14 7.475 -6.413 -1.545 1.00 0.00 H +ATOM 217 HB2 SER A 14 5.221 -4.416 -1.508 1.00 0.00 H +ATOM 218 HB3 SER A 14 6.026 -4.948 -2.995 1.00 0.00 H +ATOM 219 HG SER A 14 4.164 -6.059 -2.655 1.00 0.00 H +ATOM 220 N GLY A 15 8.590 -3.733 -0.358 1.00 0.00 N +ATOM 221 CA GLY A 15 9.577 -2.650 -0.433 1.00 0.00 C +ATOM 222 C GLY A 15 9.029 -1.291 -0.893 1.00 0.00 C +ATOM 223 O GLY A 15 9.565 -0.255 -0.498 1.00 0.00 O +ATOM 224 H GLY A 15 8.346 -4.054 0.578 1.00 0.00 H +ATOM 225 HA2 GLY A 15 10.022 -2.519 0.554 1.00 0.00 H +ATOM 226 HA3 GLY A 15 10.370 -2.944 -1.121 1.00 0.00 H +ATOM 227 N ARG A 16 7.961 -1.275 -1.702 1.00 0.00 N +ATOM 228 CA ARG A 16 7.253 -0.068 -2.152 1.00 0.00 C +ATOM 229 C ARG A 16 6.758 0.782 -0.961 1.00 0.00 C +ATOM 230 O ARG A 16 6.062 0.249 -0.094 1.00 0.00 O +ATOM 231 CB ARG A 16 6.114 -0.429 -3.128 1.00 0.00 C +ATOM 232 CG ARG A 16 5.073 -1.437 -2.599 1.00 0.00 C +ATOM 233 CD ARG A 16 4.058 -1.882 -3.667 1.00 0.00 C +ATOM 234 NE ARG A 16 2.925 -0.944 -3.816 1.00 0.00 N +ATOM 235 CZ ARG A 16 2.827 0.118 -4.610 1.00 0.00 C +ATOM 236 NH1 ARG A 16 3.797 0.480 -5.418 1.00 0.00 N +ATOM 237 NH2 ARG A 16 1.736 0.848 -4.603 1.00 0.00 N +ATOM 238 H ARG A 16 7.673 -2.184 -2.046 1.00 0.00 H +ATOM 239 HA ARG A 16 7.981 0.515 -2.712 1.00 0.00 H +ATOM 240 HB2 ARG A 16 5.597 0.477 -3.381 1.00 0.00 H +ATOM 241 HB3 ARG A 16 6.567 -0.849 -4.028 1.00 0.00 H +ATOM 242 HG2 ARG A 16 5.592 -2.305 -2.239 1.00 0.00 H +ATOM 243 HG3 ARG A 16 4.537 -1.022 -1.749 1.00 0.00 H +ATOM 244 HD2 ARG A 16 4.565 -1.958 -4.610 1.00 0.00 H +ATOM 245 HD3 ARG A 16 3.649 -2.842 -3.350 1.00 0.00 H +ATOM 246 HE ARG A 16 2.106 -1.187 -3.286 1.00 0.00 H +ATOM 247 HH11 ARG A 16 4.617 -0.096 -5.446 1.00 0.00 H +ATOM 248 HH12 ARG A 16 3.713 1.284 -6.011 1.00 0.00 H +ATOM 249 HH21 ARG A 16 0.947 0.584 -4.042 1.00 0.00 H +ATOM 250 HH22 ARG A 16 1.678 1.660 -5.191 1.00 0.00 H +ATOM 251 N PRO A 17 7.067 2.094 -0.905 1.00 0.00 N +ATOM 252 CA PRO A 17 6.620 2.967 0.182 1.00 0.00 C +ATOM 253 C PRO A 17 5.099 3.227 0.122 1.00 0.00 C +ATOM 254 O PRO A 17 4.486 3.009 -0.928 1.00 0.00 O +ATOM 255 CB PRO A 17 7.427 4.260 0.005 1.00 0.00 C +ATOM 256 CG PRO A 17 7.667 4.322 -1.501 1.00 0.00 C +ATOM 257 CD PRO A 17 7.835 2.854 -1.882 1.00 0.00 C +ATOM 258 HA PRO A 17 6.870 2.512 1.140 1.00 0.00 H +ATOM 259 HB2 PRO A 17 6.867 5.112 0.340 1.00 0.00 H +ATOM 260 HB3 PRO A 17 8.385 4.162 0.519 1.00 0.00 H +ATOM 261 HG2 PRO A 17 6.828 4.758 -2.008 1.00 0.00 H +ATOM 262 HG3 PRO A 17 8.552 4.908 -1.749 1.00 0.00 H +ATOM 263 HD2 PRO A 17 7.456 2.680 -2.871 1.00 0.00 H +ATOM 264 HD3 PRO A 17 8.888 2.571 -1.812 1.00 0.00 H +ATOM 265 N PRO A 18 4.480 3.698 1.223 1.00 0.00 N +ATOM 266 CA PRO A 18 3.051 4.007 1.257 1.00 0.00 C +ATOM 267 C PRO A 18 2.699 5.236 0.396 1.00 0.00 C +ATOM 268 O PRO A 18 3.570 6.059 0.111 1.00 0.00 O +ATOM 269 CB PRO A 18 2.722 4.232 2.738 1.00 0.00 C +ATOM 270 CG PRO A 18 4.041 4.721 3.329 1.00 0.00 C +ATOM 271 CD PRO A 18 5.086 3.950 2.524 1.00 0.00 C +ATOM 272 HA PRO A 18 2.496 3.146 0.892 1.00 0.00 H +ATOM 273 HB2 PRO A 18 1.954 4.972 2.852 1.00 0.00 H +ATOM 274 HB3 PRO A 18 2.449 3.284 3.200 1.00 0.00 H +ATOM 275 HG2 PRO A 18 4.155 5.779 3.195 1.00 0.00 H +ATOM 276 HG3 PRO A 18 4.113 4.505 4.395 1.00 0.00 H +ATOM 277 HD2 PRO A 18 5.979 4.535 2.413 1.00 0.00 H +ATOM 278 HD3 PRO A 18 5.300 2.999 3.013 1.00 0.00 H +ATOM 279 N PRO A 19 1.420 5.393 -0.004 1.00 0.00 N +ATOM 280 CA PRO A 19 0.957 6.533 -0.802 1.00 0.00 C +ATOM 281 C PRO A 19 0.749 7.823 0.014 1.00 0.00 C +ATOM 282 O PRO A 19 0.677 8.899 -0.575 1.00 0.00 O +ATOM 283 CB PRO A 19 -0.367 6.064 -1.415 1.00 0.00 C +ATOM 284 CG PRO A 19 -0.913 5.086 -0.375 1.00 0.00 C +ATOM 285 CD PRO A 19 0.348 4.422 0.169 1.00 0.00 C +ATOM 286 HA PRO A 19 1.669 6.748 -1.599 1.00 0.00 H +ATOM 287 HB2 PRO A 19 -1.038 6.889 -1.556 1.00 0.00 H +ATOM 288 HB3 PRO A 19 -0.164 5.530 -2.346 1.00 0.00 H +ATOM 289 HG2 PRO A 19 -1.441 5.605 0.402 1.00 0.00 H +ATOM 290 HG3 PRO A 19 -1.584 4.357 -0.825 1.00 0.00 H +ATOM 291 HD2 PRO A 19 0.225 4.183 1.208 1.00 0.00 H +ATOM 292 HD3 PRO A 19 0.576 3.535 -0.421 1.00 0.00 H +ATOM 293 N SER A 20 0.622 7.704 1.342 1.00 0.00 N +ATOM 294 CA SER A 20 0.537 8.783 2.335 1.00 0.00 C +ATOM 295 C SER A 20 1.931 9.218 2.798 1.00 0.00 C +ATOM 296 O SER A 20 2.563 8.335 3.437 1.00 0.00 O +ATOM 297 CB SER A 20 -0.247 8.262 3.545 1.00 0.00 C +ATOM 298 OG SER A 20 0.531 7.207 4.069 1.00 0.00 O +ATOM 299 OXT SER A 20 2.277 10.398 2.599 1.00 0.00 O +ATOM 300 H SER A 20 0.701 6.779 1.733 1.00 0.00 H +ATOM 301 HA SER A 20 0.039 9.654 1.908 1.00 0.00 H +ATOM 302 HB2 SER A 20 -0.369 9.038 4.276 1.00 0.00 H +ATOM 303 HB3 SER A 20 -1.237 7.911 3.252 1.00 0.00 H +ATOM 304 HG SER A 20 1.480 7.561 3.895 1.00 0.00 H +TER 305 SER A 20 +ENDMDL +MODEL 24 +ATOM 1 N ASN A 1 -6.292 7.385 1.128 1.00 0.00 N +ATOM 2 CA ASN A 1 -7.232 6.863 0.107 1.00 0.00 C +ATOM 3 C ASN A 1 -6.739 5.538 -0.485 1.00 0.00 C +ATOM 4 O ASN A 1 -7.431 4.543 -0.336 1.00 0.00 O +ATOM 5 CB ASN A 1 -7.545 7.923 -0.975 1.00 0.00 C +ATOM 6 CG ASN A 1 -6.313 8.297 -1.796 1.00 0.00 C +ATOM 7 OD1 ASN A 1 -5.208 8.306 -1.270 1.00 0.00 O +ATOM 8 ND2 ASN A 1 -6.440 8.526 -3.087 1.00 0.00 N +ATOM 9 H1 ASN A 1 -6.040 6.659 1.782 1.00 0.00 H +ATOM 10 H2 ASN A 1 -5.460 7.735 0.662 1.00 0.00 H +ATOM 11 H3 ASN A 1 -6.719 8.150 1.634 1.00 0.00 H +ATOM 12 HA ASN A 1 -8.173 6.624 0.607 1.00 0.00 H +ATOM 13 HB2 ASN A 1 -8.294 7.530 -1.636 1.00 0.00 H +ATOM 14 HB3 ASN A 1 -7.929 8.825 -0.499 1.00 0.00 H +ATOM 15 HD21 ASN A 1 -7.324 8.491 -3.570 1.00 0.00 H +ATOM 16 HD22 ASN A 1 -5.584 8.752 -3.571 1.00 0.00 H +ATOM 17 N LEU A 2 -5.556 5.496 -1.115 1.00 0.00 N +ATOM 18 CA LEU A 2 -5.032 4.330 -1.843 1.00 0.00 C +ATOM 19 C LEU A 2 -4.313 3.290 -0.955 1.00 0.00 C +ATOM 20 O LEU A 2 -3.853 2.259 -1.446 1.00 0.00 O +ATOM 21 CB LEU A 2 -4.138 4.841 -3.003 1.00 0.00 C +ATOM 22 CG LEU A 2 -4.722 4.651 -4.418 1.00 0.00 C +ATOM 23 CD1 LEU A 2 -4.894 3.173 -4.766 1.00 0.00 C +ATOM 24 CD2 LEU A 2 -6.050 5.386 -4.636 1.00 0.00 C +ATOM 25 H LEU A 2 -5.044 6.368 -1.237 1.00 0.00 H +ATOM 26 HA LEU A 2 -5.880 3.796 -2.268 1.00 0.00 H +ATOM 27 HB2 LEU A 2 -3.967 5.890 -2.853 1.00 0.00 H +ATOM 28 HB3 LEU A 2 -3.179 4.327 -2.975 1.00 0.00 H +ATOM 29 HG LEU A 2 -4.002 5.061 -5.126 1.00 0.00 H +ATOM 30 HD11 LEU A 2 -3.966 2.642 -4.555 1.00 0.00 H +ATOM 31 HD12 LEU A 2 -5.713 2.736 -4.196 1.00 0.00 H +ATOM 32 HD13 LEU A 2 -5.117 3.069 -5.827 1.00 0.00 H +ATOM 33 HD21 LEU A 2 -6.733 5.221 -3.804 1.00 0.00 H +ATOM 34 HD22 LEU A 2 -5.855 6.450 -4.745 1.00 0.00 H +ATOM 35 HD23 LEU A 2 -6.526 5.028 -5.550 1.00 0.00 H +ATOM 36 N TYR A 3 -4.243 3.530 0.360 1.00 0.00 N +ATOM 37 CA TYR A 3 -3.536 2.698 1.337 1.00 0.00 C +ATOM 38 C TYR A 3 -3.999 1.230 1.340 1.00 0.00 C +ATOM 39 O TYR A 3 -3.180 0.335 1.524 1.00 0.00 O +ATOM 40 CB TYR A 3 -3.688 3.329 2.730 1.00 0.00 C +ATOM 41 CG TYR A 3 -2.527 3.057 3.667 1.00 0.00 C +ATOM 42 CD1 TYR A 3 -2.504 1.888 4.455 1.00 0.00 C +ATOM 43 CD2 TYR A 3 -1.478 3.993 3.769 1.00 0.00 C +ATOM 44 CE1 TYR A 3 -1.449 1.665 5.360 1.00 0.00 C +ATOM 45 CE2 TYR A 3 -0.422 3.773 4.671 1.00 0.00 C +ATOM 46 CZ TYR A 3 -0.410 2.617 5.478 1.00 0.00 C +ATOM 47 OH TYR A 3 0.592 2.435 6.380 1.00 0.00 O +ATOM 48 H TYR A 3 -4.647 4.393 0.678 1.00 0.00 H +ATOM 49 HA TYR A 3 -2.476 2.708 1.078 1.00 0.00 H +ATOM 50 HB2 TYR A 3 -3.781 4.391 2.610 1.00 0.00 H +ATOM 51 HB3 TYR A 3 -4.613 2.981 3.190 1.00 0.00 H +ATOM 52 HD1 TYR A 3 -3.302 1.165 4.368 1.00 0.00 H +ATOM 53 HD2 TYR A 3 -1.485 4.893 3.169 1.00 0.00 H +ATOM 54 HE1 TYR A 3 -1.435 0.773 5.967 1.00 0.00 H +ATOM 55 HE2 TYR A 3 0.377 4.493 4.774 1.00 0.00 H +ATOM 56 HH TYR A 3 0.371 1.780 7.044 1.00 0.00 H +ATOM 57 N ILE A 4 -5.291 0.971 1.083 1.00 0.00 N +ATOM 58 CA ILE A 4 -5.855 -0.385 0.970 1.00 0.00 C +ATOM 59 C ILE A 4 -5.185 -1.167 -0.172 1.00 0.00 C +ATOM 60 O ILE A 4 -4.825 -2.331 0.000 1.00 0.00 O +ATOM 61 CB ILE A 4 -7.390 -0.331 0.775 1.00 0.00 C +ATOM 62 CG1 ILE A 4 -8.107 0.494 1.877 1.00 0.00 C +ATOM 63 CG2 ILE A 4 -7.991 -1.748 0.746 1.00 0.00 C +ATOM 64 CD1 ILE A 4 -8.694 1.795 1.319 1.00 0.00 C +ATOM 65 H ILE A 4 -5.903 1.762 0.942 1.00 0.00 H +ATOM 66 HA ILE A 4 -5.647 -0.919 1.898 1.00 0.00 H +ATOM 67 HB ILE A 4 -7.594 0.123 -0.197 1.00 0.00 H +ATOM 68 HG12 ILE A 4 -8.901 -0.096 2.292 1.00 0.00 H +ATOM 69 HG13 ILE A 4 -7.417 0.733 2.687 1.00 0.00 H +ATOM 70 HG21 ILE A 4 -7.583 -2.322 -0.085 1.00 0.00 H +ATOM 71 HG22 ILE A 4 -7.771 -2.267 1.681 1.00 0.00 H +ATOM 72 HG23 ILE A 4 -9.072 -1.688 0.616 1.00 0.00 H +ATOM 73 HD11 ILE A 4 -7.897 2.395 0.886 1.00 0.00 H +ATOM 74 HD12 ILE A 4 -9.436 1.569 0.553 1.00 0.00 H +ATOM 75 HD13 ILE A 4 -9.171 2.357 2.121 1.00 0.00 H +ATOM 76 N GLN A 5 -4.990 -0.524 -1.331 1.00 0.00 N +ATOM 77 CA GLN A 5 -4.287 -1.099 -2.478 1.00 0.00 C +ATOM 78 C GLN A 5 -2.828 -1.408 -2.125 1.00 0.00 C +ATOM 79 O GLN A 5 -2.375 -2.526 -2.353 1.00 0.00 O +ATOM 80 CB GLN A 5 -4.383 -0.141 -3.683 1.00 0.00 C +ATOM 81 CG GLN A 5 -5.134 -0.729 -4.885 1.00 0.00 C +ATOM 82 CD GLN A 5 -6.640 -0.793 -4.645 1.00 0.00 C +ATOM 83 OE1 GLN A 5 -7.380 0.135 -4.919 1.00 0.00 O +ATOM 84 NE2 GLN A 5 -7.150 -1.887 -4.116 1.00 0.00 N +ATOM 85 H GLN A 5 -5.215 0.461 -1.367 1.00 0.00 H +ATOM 86 HA GLN A 5 -4.756 -2.048 -2.731 1.00 0.00 H +ATOM 87 HB2 GLN A 5 -4.893 0.749 -3.368 1.00 0.00 H +ATOM 88 HB3 GLN A 5 -3.380 0.134 -4.013 1.00 0.00 H +ATOM 89 HG2 GLN A 5 -4.946 -0.115 -5.745 1.00 0.00 H +ATOM 90 HG3 GLN A 5 -4.744 -1.721 -5.116 1.00 0.00 H +ATOM 91 HE21 GLN A 5 -6.566 -2.656 -3.852 1.00 0.00 H +ATOM 92 HE22 GLN A 5 -8.148 -1.839 -3.996 1.00 0.00 H +ATOM 93 N TRP A 6 -2.121 -0.454 -1.511 1.00 0.00 N +ATOM 94 CA TRP A 6 -0.744 -0.663 -1.057 1.00 0.00 C +ATOM 95 C TRP A 6 -0.613 -1.790 -0.020 1.00 0.00 C +ATOM 96 O TRP A 6 0.331 -2.579 -0.067 1.00 0.00 O +ATOM 97 CB TRP A 6 -0.201 0.655 -0.509 1.00 0.00 C +ATOM 98 CG TRP A 6 1.191 0.564 0.027 1.00 0.00 C +ATOM 99 CD1 TRP A 6 2.317 0.549 -0.722 1.00 0.00 C +ATOM 100 CD2 TRP A 6 1.627 0.427 1.415 1.00 0.00 C +ATOM 101 NE1 TRP A 6 3.412 0.401 0.105 1.00 0.00 N +ATOM 102 CE2 TRP A 6 3.049 0.343 1.428 1.00 0.00 C +ATOM 103 CE3 TRP A 6 0.972 0.368 2.666 1.00 0.00 C +ATOM 104 CZ2 TRP A 6 3.794 0.234 2.609 1.00 0.00 C +ATOM 105 CZ3 TRP A 6 1.709 0.249 3.860 1.00 0.00 C +ATOM 106 CH2 TRP A 6 3.114 0.197 3.837 1.00 0.00 C +ATOM 107 H TRP A 6 -2.569 0.443 -1.359 1.00 0.00 H +ATOM 108 HA TRP A 6 -0.136 -0.952 -1.917 1.00 0.00 H +ATOM 109 HB2 TRP A 6 -0.211 1.379 -1.301 1.00 0.00 H +ATOM 110 HB3 TRP A 6 -0.855 1.013 0.287 1.00 0.00 H +ATOM 111 HD1 TRP A 6 2.345 0.630 -1.800 1.00 0.00 H +ATOM 112 HE1 TRP A 6 4.387 0.366 -0.203 1.00 0.00 H +ATOM 113 HE3 TRP A 6 -0.106 0.426 2.698 1.00 0.00 H +ATOM 114 HZ2 TRP A 6 4.873 0.181 2.560 1.00 0.00 H +ATOM 115 HZ3 TRP A 6 1.192 0.211 4.808 1.00 0.00 H +ATOM 116 HH2 TRP A 6 3.670 0.129 4.761 1.00 0.00 H +ATOM 117 N LEU A 7 -1.578 -1.920 0.901 1.00 0.00 N +ATOM 118 CA LEU A 7 -1.631 -3.070 1.801 1.00 0.00 C +ATOM 119 C LEU A 7 -1.843 -4.394 1.050 1.00 0.00 C +ATOM 120 O LEU A 7 -1.191 -5.372 1.418 1.00 0.00 O +ATOM 121 CB LEU A 7 -2.686 -2.859 2.899 1.00 0.00 C +ATOM 122 CG LEU A 7 -2.268 -1.863 4.000 1.00 0.00 C +ATOM 123 CD1 LEU A 7 -3.426 -1.718 4.994 1.00 0.00 C +ATOM 124 CD2 LEU A 7 -1.023 -2.315 4.775 1.00 0.00 C +ATOM 125 H LEU A 7 -2.292 -1.197 0.964 1.00 0.00 H +ATOM 126 HA LEU A 7 -0.656 -3.165 2.275 1.00 0.00 H +ATOM 127 HB2 LEU A 7 -3.583 -2.492 2.437 1.00 0.00 H +ATOM 128 HB3 LEU A 7 -2.886 -3.821 3.373 1.00 0.00 H +ATOM 129 HG LEU A 7 -2.065 -0.889 3.560 1.00 0.00 H +ATOM 130 HD11 LEU A 7 -4.316 -1.368 4.472 1.00 0.00 H +ATOM 131 HD12 LEU A 7 -3.638 -2.679 5.461 1.00 0.00 H +ATOM 132 HD13 LEU A 7 -3.167 -0.998 5.769 1.00 0.00 H +ATOM 133 HD21 LEU A 7 -1.138 -3.351 5.097 1.00 0.00 H +ATOM 134 HD22 LEU A 7 -0.138 -2.227 4.147 1.00 0.00 H +ATOM 135 HD23 LEU A 7 -0.876 -1.684 5.651 1.00 0.00 H +ATOM 136 N LYS A 8 -2.657 -4.444 -0.024 1.00 0.00 N +ATOM 137 CA LYS A 8 -2.775 -5.659 -0.860 1.00 0.00 C +ATOM 138 C LYS A 8 -1.440 -6.118 -1.450 1.00 0.00 C +ATOM 139 O LYS A 8 -1.240 -7.322 -1.591 1.00 0.00 O +ATOM 140 CB LYS A 8 -3.774 -5.527 -2.021 1.00 0.00 C +ATOM 141 CG LYS A 8 -5.249 -5.395 -1.620 1.00 0.00 C +ATOM 142 CD LYS A 8 -6.167 -6.088 -2.648 1.00 0.00 C +ATOM 143 CE LYS A 8 -7.424 -5.268 -2.953 1.00 0.00 C +ATOM 144 NZ LYS A 8 -8.590 -6.134 -3.235 1.00 0.00 N +ATOM 145 H LYS A 8 -3.174 -3.604 -0.275 1.00 0.00 H +ATOM 146 HA LYS A 8 -3.108 -6.475 -0.218 1.00 0.00 H +ATOM 147 HB2 LYS A 8 -3.507 -4.656 -2.587 1.00 0.00 H +ATOM 148 HB3 LYS A 8 -3.662 -6.434 -2.619 1.00 0.00 H +ATOM 149 HG2 LYS A 8 -5.393 -5.849 -0.659 1.00 0.00 H +ATOM 150 HG3 LYS A 8 -5.497 -4.337 -1.541 1.00 0.00 H +ATOM 151 HD2 LYS A 8 -5.619 -6.230 -3.559 1.00 0.00 H +ATOM 152 HD3 LYS A 8 -6.435 -7.067 -2.249 1.00 0.00 H +ATOM 153 HE2 LYS A 8 -7.648 -4.648 -2.106 1.00 0.00 H +ATOM 154 HE3 LYS A 8 -7.213 -4.642 -3.824 1.00 0.00 H +ATOM 155 HZ1 LYS A 8 -8.371 -6.792 -3.971 1.00 0.00 H +ATOM 156 HZ2 LYS A 8 -8.842 -6.653 -2.403 1.00 0.00 H +ATOM 157 HZ3 LYS A 8 -9.385 -5.577 -3.521 1.00 0.00 H +ATOM 158 N ASP A 9 -0.520 -5.196 -1.760 1.00 0.00 N +ATOM 159 CA ASP A 9 0.824 -5.550 -2.228 1.00 0.00 C +ATOM 160 C ASP A 9 1.682 -6.246 -1.149 1.00 0.00 C +ATOM 161 O ASP A 9 2.738 -6.791 -1.479 1.00 0.00 O +ATOM 162 CB ASP A 9 1.569 -4.302 -2.729 1.00 0.00 C +ATOM 163 CG ASP A 9 0.926 -3.620 -3.934 1.00 0.00 C +ATOM 164 OD1 ASP A 9 0.770 -4.314 -4.963 1.00 0.00 O +ATOM 165 OD2 ASP A 9 0.694 -2.393 -3.841 1.00 0.00 O +ATOM 166 H ASP A 9 -0.774 -4.217 -1.668 1.00 0.00 H +ATOM 167 HA ASP A 9 0.732 -6.246 -3.065 1.00 0.00 H +ATOM 168 HB2 ASP A 9 1.611 -3.592 -1.925 1.00 0.00 H +ATOM 169 HB3 ASP A 9 2.563 -4.606 -3.037 1.00 0.00 H +ATOM 170 N GLY A 10 1.266 -6.215 0.128 1.00 0.00 N +ATOM 171 CA GLY A 10 2.015 -6.734 1.274 1.00 0.00 C +ATOM 172 C GLY A 10 2.595 -5.646 2.186 1.00 0.00 C +ATOM 173 O GLY A 10 3.441 -5.959 3.033 1.00 0.00 O +ATOM 174 H GLY A 10 0.348 -5.819 0.317 1.00 0.00 H +ATOM 175 HA2 GLY A 10 1.343 -7.348 1.874 1.00 0.00 H +ATOM 176 HA3 GLY A 10 2.832 -7.371 0.933 1.00 0.00 H +ATOM 177 N GLY A 11 2.188 -4.378 2.015 1.00 0.00 N +ATOM 178 CA GLY A 11 2.682 -3.258 2.815 1.00 0.00 C +ATOM 179 C GLY A 11 4.216 -3.151 2.773 1.00 0.00 C +ATOM 180 O GLY A 11 4.797 -3.293 1.691 1.00 0.00 O +ATOM 181 H GLY A 11 1.532 -4.174 1.270 1.00 0.00 H +ATOM 182 HA2 GLY A 11 2.262 -2.332 2.425 1.00 0.00 H +ATOM 183 HA3 GLY A 11 2.330 -3.391 3.837 1.00 0.00 H +ATOM 184 N PRO A 12 4.904 -2.935 3.918 1.00 0.00 N +ATOM 185 CA PRO A 12 6.365 -2.823 3.965 1.00 0.00 C +ATOM 186 C PRO A 12 7.102 -4.015 3.335 1.00 0.00 C +ATOM 187 O PRO A 12 8.165 -3.833 2.746 1.00 0.00 O +ATOM 188 CB PRO A 12 6.736 -2.681 5.447 1.00 0.00 C +ATOM 189 CG PRO A 12 5.452 -2.189 6.112 1.00 0.00 C +ATOM 190 CD PRO A 12 4.353 -2.826 5.263 1.00 0.00 C +ATOM 191 HA PRO A 12 6.658 -1.915 3.438 1.00 0.00 H +ATOM 192 HB2 PRO A 12 7.038 -3.626 5.856 1.00 0.00 H +ATOM 193 HB3 PRO A 12 7.554 -1.973 5.589 1.00 0.00 H +ATOM 194 HG2 PRO A 12 5.394 -2.523 7.130 1.00 0.00 H +ATOM 195 HG3 PRO A 12 5.394 -1.103 6.036 1.00 0.00 H +ATOM 196 HD2 PRO A 12 4.102 -3.797 5.644 1.00 0.00 H +ATOM 197 HD3 PRO A 12 3.456 -2.209 5.293 1.00 0.00 H +ATOM 198 N SER A 13 6.528 -5.228 3.414 1.00 0.00 N +ATOM 199 CA SER A 13 7.138 -6.446 2.859 1.00 0.00 C +ATOM 200 C SER A 13 7.295 -6.407 1.333 1.00 0.00 C +ATOM 201 O SER A 13 8.174 -7.073 0.792 1.00 0.00 O +ATOM 202 CB SER A 13 6.348 -7.692 3.277 1.00 0.00 C +ATOM 203 OG SER A 13 5.118 -7.809 2.592 1.00 0.00 O +ATOM 204 H SER A 13 5.614 -5.292 3.842 1.00 0.00 H +ATOM 205 HA SER A 13 8.138 -6.537 3.280 1.00 0.00 H +ATOM 206 HB2 SER A 13 6.942 -8.561 3.069 1.00 0.00 H +ATOM 207 HB3 SER A 13 6.165 -7.667 4.352 1.00 0.00 H +ATOM 208 HG SER A 13 4.500 -7.079 2.847 1.00 0.00 H +ATOM 209 N SER A 14 6.489 -5.586 0.645 1.00 0.00 N +ATOM 210 CA SER A 14 6.548 -5.376 -0.801 1.00 0.00 C +ATOM 211 C SER A 14 7.615 -4.354 -1.227 1.00 0.00 C +ATOM 212 O SER A 14 7.779 -4.098 -2.420 1.00 0.00 O +ATOM 213 CB SER A 14 5.172 -4.906 -1.282 1.00 0.00 C +ATOM 214 OG SER A 14 4.768 -5.648 -2.411 1.00 0.00 O +ATOM 215 H SER A 14 5.813 -5.042 1.173 1.00 0.00 H +ATOM 216 HA SER A 14 6.781 -6.328 -1.284 1.00 0.00 H +ATOM 217 HB2 SER A 14 4.456 -5.042 -0.494 1.00 0.00 H +ATOM 218 HB3 SER A 14 5.202 -3.849 -1.527 1.00 0.00 H +ATOM 219 HG SER A 14 4.004 -6.211 -2.103 1.00 0.00 H +ATOM 220 N GLY A 15 8.309 -3.713 -0.277 1.00 0.00 N +ATOM 221 CA GLY A 15 9.390 -2.752 -0.512 1.00 0.00 C +ATOM 222 C GLY A 15 8.950 -1.376 -1.041 1.00 0.00 C +ATOM 223 O GLY A 15 9.569 -0.373 -0.689 1.00 0.00 O +ATOM 224 H GLY A 15 8.111 -3.947 0.692 1.00 0.00 H +ATOM 225 HA2 GLY A 15 9.920 -2.595 0.428 1.00 0.00 H +ATOM 226 HA3 GLY A 15 10.093 -3.179 -1.226 1.00 0.00 H +ATOM 227 N ARG A 16 7.896 -1.304 -1.867 1.00 0.00 N +ATOM 228 CA ARG A 16 7.317 -0.041 -2.355 1.00 0.00 C +ATOM 229 C ARG A 16 6.801 0.839 -1.194 1.00 0.00 C +ATOM 230 O ARG A 16 6.157 0.315 -0.283 1.00 0.00 O +ATOM 231 CB ARG A 16 6.215 -0.292 -3.405 1.00 0.00 C +ATOM 232 CG ARG A 16 5.119 -1.280 -2.965 1.00 0.00 C +ATOM 233 CD ARG A 16 3.913 -1.309 -3.915 1.00 0.00 C +ATOM 234 NE ARG A 16 4.266 -1.765 -5.273 1.00 0.00 N +ATOM 235 CZ ARG A 16 4.470 -3.012 -5.684 1.00 0.00 C +ATOM 236 NH1 ARG A 16 4.434 -4.046 -4.877 1.00 0.00 N +ATOM 237 NH2 ARG A 16 4.742 -3.246 -6.946 1.00 0.00 N +ATOM 238 H ARG A 16 7.511 -2.196 -2.163 1.00 0.00 H +ATOM 239 HA ARG A 16 8.125 0.496 -2.848 1.00 0.00 H +ATOM 240 HB2 ARG A 16 5.747 0.647 -3.630 1.00 0.00 H +ATOM 241 HB3 ARG A 16 6.683 -0.678 -4.311 1.00 0.00 H +ATOM 242 HG2 ARG A 16 5.544 -2.264 -2.923 1.00 0.00 H +ATOM 243 HG3 ARG A 16 4.753 -1.013 -1.976 1.00 0.00 H +ATOM 244 HD2 ARG A 16 3.174 -1.974 -3.511 1.00 0.00 H +ATOM 245 HD3 ARG A 16 3.485 -0.307 -3.974 1.00 0.00 H +ATOM 246 HE ARG A 16 4.286 -1.055 -5.983 1.00 0.00 H +ATOM 247 HH11 ARG A 16 4.241 -3.927 -3.896 1.00 0.00 H +ATOM 248 HH12 ARG A 16 4.571 -4.985 -5.203 1.00 0.00 H +ATOM 249 HH21 ARG A 16 4.784 -2.494 -7.608 1.00 0.00 H +ATOM 250 HH22 ARG A 16 4.878 -4.192 -7.246 1.00 0.00 H +ATOM 251 N PRO A 17 7.021 2.169 -1.222 1.00 0.00 N +ATOM 252 CA PRO A 17 6.564 3.076 -0.168 1.00 0.00 C +ATOM 253 C PRO A 17 5.035 3.273 -0.193 1.00 0.00 C +ATOM 254 O PRO A 17 4.408 3.044 -1.232 1.00 0.00 O +ATOM 255 CB PRO A 17 7.304 4.392 -0.436 1.00 0.00 C +ATOM 256 CG PRO A 17 7.488 4.390 -1.951 1.00 0.00 C +ATOM 257 CD PRO A 17 7.717 2.912 -2.265 1.00 0.00 C +ATOM 258 HA PRO A 17 6.863 2.681 0.803 1.00 0.00 H +ATOM 259 HB2 PRO A 17 6.718 5.234 -0.121 1.00 0.00 H +ATOM 260 HB3 PRO A 17 8.279 4.364 0.050 1.00 0.00 H +ATOM 261 HG2 PRO A 17 6.611 4.759 -2.447 1.00 0.00 H +ATOM 262 HG3 PRO A 17 8.336 5.002 -2.259 1.00 0.00 H +ATOM 263 HD2 PRO A 17 7.314 2.668 -3.229 1.00 0.00 H +ATOM 264 HD3 PRO A 17 8.783 2.685 -2.219 1.00 0.00 H +ATOM 265 N PRO A 18 4.420 3.714 0.924 1.00 0.00 N +ATOM 266 CA PRO A 18 2.979 3.943 0.997 1.00 0.00 C +ATOM 267 C PRO A 18 2.541 5.167 0.167 1.00 0.00 C +ATOM 268 O PRO A 18 3.300 6.129 0.038 1.00 0.00 O +ATOM 269 CB PRO A 18 2.670 4.129 2.486 1.00 0.00 C +ATOM 270 CG PRO A 18 3.976 4.683 3.053 1.00 0.00 C +ATOM 271 CD PRO A 18 5.042 3.977 2.213 1.00 0.00 C +ATOM 272 HA PRO A 18 2.469 3.052 0.638 1.00 0.00 H +ATOM 273 HB2 PRO A 18 1.865 4.824 2.627 1.00 0.00 H +ATOM 274 HB3 PRO A 18 2.459 3.159 2.939 1.00 0.00 H +ATOM 275 HG2 PRO A 18 4.030 5.747 2.929 1.00 0.00 H +ATOM 276 HG3 PRO A 18 4.085 4.459 4.114 1.00 0.00 H +ATOM 277 HD2 PRO A 18 5.901 4.608 2.092 1.00 0.00 H +ATOM 278 HD3 PRO A 18 5.310 3.030 2.683 1.00 0.00 H +ATOM 279 N PRO A 19 1.305 5.165 -0.369 1.00 0.00 N +ATOM 280 CA PRO A 19 0.753 6.266 -1.151 1.00 0.00 C +ATOM 281 C PRO A 19 0.318 7.409 -0.226 1.00 0.00 C +ATOM 282 O PRO A 19 -0.451 7.189 0.714 1.00 0.00 O +ATOM 283 CB PRO A 19 -0.432 5.656 -1.908 1.00 0.00 C +ATOM 284 CG PRO A 19 -0.932 4.559 -0.967 1.00 0.00 C +ATOM 285 CD PRO A 19 0.347 4.074 -0.285 1.00 0.00 C +ATOM 286 HA PRO A 19 1.493 6.630 -1.865 1.00 0.00 H +ATOM 287 HB2 PRO A 19 -1.195 6.390 -2.081 1.00 0.00 H +ATOM 288 HB3 PRO A 19 -0.073 5.200 -2.833 1.00 0.00 H +ATOM 289 HG2 PRO A 19 -1.625 4.954 -0.249 1.00 0.00 H +ATOM 290 HG3 PRO A 19 -1.416 3.748 -1.510 1.00 0.00 H +ATOM 291 HD2 PRO A 19 0.150 3.833 0.742 1.00 0.00 H +ATOM 292 HD3 PRO A 19 0.754 3.228 -0.832 1.00 0.00 H +ATOM 293 N SER A 20 0.793 8.629 -0.503 1.00 0.00 N +ATOM 294 CA SER A 20 0.416 9.847 0.221 1.00 0.00 C +ATOM 295 C SER A 20 0.407 11.090 -0.662 1.00 0.00 C +ATOM 296 O SER A 20 0.891 11.013 -1.811 1.00 0.00 O +ATOM 297 CB SER A 20 1.359 10.094 1.397 1.00 0.00 C +ATOM 298 OG SER A 20 0.787 11.196 2.067 1.00 0.00 O +ATOM 299 OXT SER A 20 -0.035 12.112 -0.078 1.00 0.00 O +ATOM 300 H SER A 20 1.371 8.782 -1.320 1.00 0.00 H +ATOM 301 HA SER A 20 -0.594 9.730 0.608 1.00 0.00 H +ATOM 302 HB2 SER A 20 1.400 9.236 2.040 1.00 0.00 H +ATOM 303 HB3 SER A 20 2.353 10.357 1.025 1.00 0.00 H +ATOM 304 HG SER A 20 0.387 11.733 1.311 1.00 0.00 H +TER 305 SER A 20 +ENDMDL +MODEL 25 +ATOM 1 N ASN A 1 -8.822 3.713 -1.688 1.00 0.00 N +ATOM 2 CA ASN A 1 -7.636 4.584 -1.839 1.00 0.00 C +ATOM 3 C ASN A 1 -6.387 3.720 -2.050 1.00 0.00 C +ATOM 4 O ASN A 1 -6.449 2.520 -1.793 1.00 0.00 O +ATOM 5 CB ASN A 1 -7.493 5.546 -0.643 1.00 0.00 C +ATOM 6 CG ASN A 1 -6.684 6.775 -1.045 1.00 0.00 C +ATOM 7 OD1 ASN A 1 -5.471 6.716 -1.147 1.00 0.00 O +ATOM 8 ND2 ASN A 1 -7.325 7.882 -1.371 1.00 0.00 N +ATOM 9 H1 ASN A 1 -8.903 3.106 -2.494 1.00 0.00 H +ATOM 10 H2 ASN A 1 -8.709 3.131 -0.870 1.00 0.00 H +ATOM 11 H3 ASN A 1 -9.662 4.268 -1.598 1.00 0.00 H +ATOM 12 HA ASN A 1 -7.770 5.186 -2.739 1.00 0.00 H +ATOM 13 HB2 ASN A 1 -8.468 5.855 -0.319 1.00 0.00 H +ATOM 14 HB3 ASN A 1 -6.990 5.041 0.185 1.00 0.00 H +ATOM 15 HD21 ASN A 1 -8.323 8.004 -1.308 1.00 0.00 H +ATOM 16 HD22 ASN A 1 -6.719 8.647 -1.627 1.00 0.00 H +ATOM 17 N LEU A 2 -5.276 4.311 -2.504 1.00 0.00 N +ATOM 18 CA LEU A 2 -4.020 3.626 -2.831 1.00 0.00 C +ATOM 19 C LEU A 2 -3.471 2.838 -1.629 1.00 0.00 C +ATOM 20 O LEU A 2 -2.958 1.734 -1.800 1.00 0.00 O +ATOM 21 CB LEU A 2 -3.012 4.674 -3.361 1.00 0.00 C +ATOM 22 CG LEU A 2 -2.196 4.219 -4.592 1.00 0.00 C +ATOM 23 CD1 LEU A 2 -1.533 5.435 -5.247 1.00 0.00 C +ATOM 24 CD2 LEU A 2 -1.091 3.204 -4.289 1.00 0.00 C +ATOM 25 H LEU A 2 -5.249 5.328 -2.518 1.00 0.00 H +ATOM 26 HA LEU A 2 -4.228 2.905 -3.623 1.00 0.00 H +ATOM 27 HB2 LEU A 2 -3.558 5.557 -3.630 1.00 0.00 H +ATOM 28 HB3 LEU A 2 -2.343 4.981 -2.561 1.00 0.00 H +ATOM 29 HG LEU A 2 -2.881 3.777 -5.315 1.00 0.00 H +ATOM 30 HD11 LEU A 2 -2.296 6.145 -5.570 1.00 0.00 H +ATOM 31 HD12 LEU A 2 -0.864 5.929 -4.541 1.00 0.00 H +ATOM 32 HD13 LEU A 2 -0.962 5.119 -6.121 1.00 0.00 H +ATOM 33 HD21 LEU A 2 -0.285 3.677 -3.730 1.00 0.00 H +ATOM 34 HD22 LEU A 2 -1.483 2.363 -3.723 1.00 0.00 H +ATOM 35 HD23 LEU A 2 -0.681 2.826 -5.224 1.00 0.00 H +ATOM 36 N TYR A 3 -3.666 3.358 -0.409 1.00 0.00 N +ATOM 37 CA TYR A 3 -3.284 2.708 0.847 1.00 0.00 C +ATOM 38 C TYR A 3 -3.873 1.292 1.002 1.00 0.00 C +ATOM 39 O TYR A 3 -3.194 0.398 1.503 1.00 0.00 O +ATOM 40 CB TYR A 3 -3.690 3.607 2.030 1.00 0.00 C +ATOM 41 CG TYR A 3 -2.649 3.669 3.132 1.00 0.00 C +ATOM 42 CD1 TYR A 3 -2.390 2.535 3.927 1.00 0.00 C +ATOM 43 CD2 TYR A 3 -1.934 4.863 3.357 1.00 0.00 C +ATOM 44 CE1 TYR A 3 -1.425 2.597 4.950 1.00 0.00 C +ATOM 45 CE2 TYR A 3 -0.980 4.936 4.389 1.00 0.00 C +ATOM 46 CZ TYR A 3 -0.731 3.802 5.194 1.00 0.00 C +ATOM 47 OH TYR A 3 0.150 3.872 6.227 1.00 0.00 O +ATOM 48 H TYR A 3 -4.047 4.292 -0.362 1.00 0.00 H +ATOM 49 HA TYR A 3 -2.198 2.613 0.856 1.00 0.00 H +ATOM 50 HB2 TYR A 3 -3.852 4.601 1.660 1.00 0.00 H +ATOM 51 HB3 TYR A 3 -4.632 3.256 2.454 1.00 0.00 H +ATOM 52 HD1 TYR A 3 -2.935 1.619 3.761 1.00 0.00 H +ATOM 53 HD2 TYR A 3 -2.110 5.742 2.747 1.00 0.00 H +ATOM 54 HE1 TYR A 3 -1.221 1.739 5.572 1.00 0.00 H +ATOM 55 HE2 TYR A 3 -0.449 5.867 4.548 1.00 0.00 H +ATOM 56 HH TYR A 3 0.326 4.786 6.461 1.00 0.00 H +ATOM 57 N ILE A 4 -5.115 1.071 0.535 1.00 0.00 N +ATOM 58 CA ILE A 4 -5.776 -0.242 0.562 1.00 0.00 C +ATOM 59 C ILE A 4 -5.002 -1.217 -0.330 1.00 0.00 C +ATOM 60 O ILE A 4 -4.614 -2.289 0.122 1.00 0.00 O +ATOM 61 CB ILE A 4 -7.263 -0.143 0.130 1.00 0.00 C +ATOM 62 CG1 ILE A 4 -8.048 0.841 1.030 1.00 0.00 C +ATOM 63 CG2 ILE A 4 -7.919 -1.539 0.153 1.00 0.00 C +ATOM 64 CD1 ILE A 4 -9.483 1.110 0.557 1.00 0.00 C +ATOM 65 H ILE A 4 -5.572 1.829 0.046 1.00 0.00 H +ATOM 66 HA ILE A 4 -5.741 -0.629 1.581 1.00 0.00 H +ATOM 67 HB ILE A 4 -7.305 0.225 -0.896 1.00 0.00 H +ATOM 68 HG12 ILE A 4 -8.090 0.432 2.021 1.00 0.00 H +ATOM 69 HG13 ILE A 4 -7.535 1.802 1.049 1.00 0.00 H +ATOM 70 HG21 ILE A 4 -7.419 -2.213 -0.543 1.00 0.00 H +ATOM 71 HG22 ILE A 4 -7.865 -1.964 1.157 1.00 0.00 H +ATOM 72 HG23 ILE A 4 -8.963 -1.481 -0.153 1.00 0.00 H +ATOM 73 HD11 ILE A 4 -9.492 1.320 -0.512 1.00 0.00 H +ATOM 74 HD12 ILE A 4 -10.118 0.247 0.759 1.00 0.00 H +ATOM 75 HD13 ILE A 4 -9.887 1.968 1.096 1.00 0.00 H +ATOM 76 N GLN A 5 -4.757 -0.824 -1.585 1.00 0.00 N +ATOM 77 CA GLN A 5 -4.017 -1.607 -2.576 1.00 0.00 C +ATOM 78 C GLN A 5 -2.587 -1.900 -2.083 1.00 0.00 C +ATOM 79 O GLN A 5 -2.148 -3.047 -2.102 1.00 0.00 O +ATOM 80 CB GLN A 5 -4.057 -0.847 -3.919 1.00 0.00 C +ATOM 81 CG GLN A 5 -4.071 -1.760 -5.155 1.00 0.00 C +ATOM 82 CD GLN A 5 -2.773 -2.524 -5.382 1.00 0.00 C +ATOM 83 OE1 GLN A 5 -2.723 -3.734 -5.250 1.00 0.00 O +ATOM 84 NE2 GLN A 5 -1.697 -1.854 -5.752 1.00 0.00 N +ATOM 85 H GLN A 5 -5.059 0.104 -1.844 1.00 0.00 H +ATOM 86 HA GLN A 5 -4.528 -2.564 -2.697 1.00 0.00 H +ATOM 87 HB2 GLN A 5 -4.942 -0.241 -3.937 1.00 0.00 H +ATOM 88 HB3 GLN A 5 -3.227 -0.144 -3.981 1.00 0.00 H +ATOM 89 HG2 GLN A 5 -4.865 -2.472 -5.038 1.00 0.00 H +ATOM 90 HG3 GLN A 5 -4.268 -1.149 -6.038 1.00 0.00 H +ATOM 91 HE21 GLN A 5 -1.694 -0.862 -5.911 1.00 0.00 H +ATOM 92 HE22 GLN A 5 -0.889 -2.443 -5.884 1.00 0.00 H +ATOM 93 N TRP A 6 -1.898 -0.878 -1.557 1.00 0.00 N +ATOM 94 CA TRP A 6 -0.578 -0.992 -0.936 1.00 0.00 C +ATOM 95 C TRP A 6 -0.552 -2.023 0.205 1.00 0.00 C +ATOM 96 O TRP A 6 0.292 -2.918 0.198 1.00 0.00 O +ATOM 97 CB TRP A 6 -0.127 0.397 -0.466 1.00 0.00 C +ATOM 98 CG TRP A 6 1.249 0.448 0.122 1.00 0.00 C +ATOM 99 CD1 TRP A 6 2.402 0.437 -0.587 1.00 0.00 C +ATOM 100 CD2 TRP A 6 1.644 0.501 1.528 1.00 0.00 C +ATOM 101 NE1 TRP A 6 3.474 0.460 0.282 1.00 0.00 N +ATOM 102 CE2 TRP A 6 3.068 0.490 1.594 1.00 0.00 C +ATOM 103 CE3 TRP A 6 0.952 0.549 2.757 1.00 0.00 C +ATOM 104 CZ2 TRP A 6 3.775 0.513 2.805 1.00 0.00 C +ATOM 105 CZ3 TRP A 6 1.647 0.567 3.982 1.00 0.00 C +ATOM 106 CH2 TRP A 6 3.054 0.548 4.010 1.00 0.00 C +ATOM 107 H TRP A 6 -2.335 0.042 -1.580 1.00 0.00 H +ATOM 108 HA TRP A 6 0.127 -1.341 -1.691 1.00 0.00 H +ATOM 109 HB2 TRP A 6 -0.154 1.059 -1.310 1.00 0.00 H +ATOM 110 HB3 TRP A 6 -0.830 0.770 0.277 1.00 0.00 H +ATOM 111 HD1 TRP A 6 2.467 0.400 -1.665 1.00 0.00 H +ATOM 112 HE1 TRP A 6 4.459 0.466 0.011 1.00 0.00 H +ATOM 113 HE3 TRP A 6 -0.127 0.579 2.747 1.00 0.00 H +ATOM 114 HZ2 TRP A 6 4.854 0.502 2.796 1.00 0.00 H +ATOM 115 HZ3 TRP A 6 1.097 0.607 4.913 1.00 0.00 H +ATOM 116 HH2 TRP A 6 3.578 0.569 4.955 1.00 0.00 H +ATOM 117 N LEU A 7 -1.488 -1.942 1.163 1.00 0.00 N +ATOM 118 CA LEU A 7 -1.617 -2.951 2.219 1.00 0.00 C +ATOM 119 C LEU A 7 -1.966 -4.341 1.668 1.00 0.00 C +ATOM 120 O LEU A 7 -1.376 -5.320 2.123 1.00 0.00 O +ATOM 121 CB LEU A 7 -2.642 -2.514 3.280 1.00 0.00 C +ATOM 122 CG LEU A 7 -2.149 -1.401 4.223 1.00 0.00 C +ATOM 123 CD1 LEU A 7 -3.284 -0.995 5.164 1.00 0.00 C +ATOM 124 CD2 LEU A 7 -0.953 -1.839 5.080 1.00 0.00 C +ATOM 125 H LEU A 7 -2.154 -1.170 1.141 1.00 0.00 H +ATOM 126 HA LEU A 7 -0.644 -3.065 2.695 1.00 0.00 H +ATOM 127 HB2 LEU A 7 -3.519 -2.160 2.773 1.00 0.00 H +ATOM 128 HB3 LEU A 7 -2.902 -3.381 3.888 1.00 0.00 H +ATOM 129 HG LEU A 7 -1.860 -0.531 3.640 1.00 0.00 H +ATOM 130 HD11 LEU A 7 -4.142 -0.659 4.582 1.00 0.00 H +ATOM 131 HD12 LEU A 7 -3.579 -1.842 5.783 1.00 0.00 H +ATOM 132 HD13 LEU A 7 -2.959 -0.178 5.809 1.00 0.00 H +ATOM 133 HD21 LEU A 7 -1.180 -2.772 5.594 1.00 0.00 H +ATOM 134 HD22 LEU A 7 -0.070 -1.975 4.456 1.00 0.00 H +ATOM 135 HD23 LEU A 7 -0.724 -1.071 5.819 1.00 0.00 H +ATOM 136 N LYS A 8 -2.866 -4.444 0.675 1.00 0.00 N +ATOM 137 CA LYS A 8 -3.232 -5.709 0.014 1.00 0.00 C +ATOM 138 C LYS A 8 -1.995 -6.419 -0.554 1.00 0.00 C +ATOM 139 O LYS A 8 -1.851 -7.626 -0.374 1.00 0.00 O +ATOM 140 CB LYS A 8 -4.313 -5.443 -1.057 1.00 0.00 C +ATOM 141 CG LYS A 8 -5.232 -6.637 -1.368 1.00 0.00 C +ATOM 142 CD LYS A 8 -4.597 -7.726 -2.241 1.00 0.00 C +ATOM 143 CE LYS A 8 -5.626 -8.816 -2.553 1.00 0.00 C +ATOM 144 NZ LYS A 8 -4.979 -9.985 -3.192 1.00 0.00 N +ATOM 145 H LYS A 8 -3.334 -3.588 0.376 1.00 0.00 H +ATOM 146 HA LYS A 8 -3.648 -6.368 0.776 1.00 0.00 H +ATOM 147 HB2 LYS A 8 -4.926 -4.632 -0.716 1.00 0.00 H +ATOM 148 HB3 LYS A 8 -3.853 -5.080 -1.976 1.00 0.00 H +ATOM 149 HG2 LYS A 8 -5.526 -7.084 -0.438 1.00 0.00 H +ATOM 150 HG3 LYS A 8 -6.106 -6.251 -1.896 1.00 0.00 H +ATOM 151 HD2 LYS A 8 -4.253 -7.289 -3.159 1.00 0.00 H +ATOM 152 HD3 LYS A 8 -3.770 -8.185 -1.708 1.00 0.00 H +ATOM 153 HE2 LYS A 8 -6.094 -9.129 -1.640 1.00 0.00 H +ATOM 154 HE3 LYS A 8 -6.396 -8.398 -3.207 1.00 0.00 H +ATOM 155 HZ1 LYS A 8 -4.519 -9.702 -4.048 1.00 0.00 H +ATOM 156 HZ2 LYS A 8 -4.281 -10.374 -2.570 1.00 0.00 H +ATOM 157 HZ3 LYS A 8 -5.664 -10.700 -3.404 1.00 0.00 H +ATOM 158 N ASP A 9 -1.077 -5.668 -1.169 1.00 0.00 N +ATOM 159 CA ASP A 9 0.212 -6.164 -1.668 1.00 0.00 C +ATOM 160 C ASP A 9 1.207 -6.590 -0.560 1.00 0.00 C +ATOM 161 O ASP A 9 2.261 -7.145 -0.857 1.00 0.00 O +ATOM 162 CB ASP A 9 0.834 -5.084 -2.569 1.00 0.00 C +ATOM 163 CG ASP A 9 1.509 -5.695 -3.797 1.00 0.00 C +ATOM 164 OD1 ASP A 9 0.788 -5.935 -4.790 1.00 0.00 O +ATOM 165 OD2 ASP A 9 2.746 -5.888 -3.742 1.00 0.00 O +ATOM 166 H ASP A 9 -1.310 -4.691 -1.337 1.00 0.00 H +ATOM 167 HA ASP A 9 0.016 -7.046 -2.280 1.00 0.00 H +ATOM 168 HB2 ASP A 9 0.061 -4.414 -2.894 1.00 0.00 H +ATOM 169 HB3 ASP A 9 1.556 -4.497 -1.999 1.00 0.00 H +ATOM 170 N GLY A 10 0.892 -6.349 0.722 1.00 0.00 N +ATOM 171 CA GLY A 10 1.749 -6.664 1.870 1.00 0.00 C +ATOM 172 C GLY A 10 2.432 -5.442 2.495 1.00 0.00 C +ATOM 173 O GLY A 10 3.341 -5.612 3.316 1.00 0.00 O +ATOM 174 H GLY A 10 -0.020 -5.949 0.925 1.00 0.00 H +ATOM 175 HA2 GLY A 10 1.134 -7.131 2.639 1.00 0.00 H +ATOM 176 HA3 GLY A 10 2.517 -7.381 1.579 1.00 0.00 H +ATOM 177 N GLY A 11 2.030 -4.224 2.106 1.00 0.00 N +ATOM 178 CA GLY A 11 2.562 -2.956 2.594 1.00 0.00 C +ATOM 179 C GLY A 11 4.077 -2.849 2.377 1.00 0.00 C +ATOM 180 O GLY A 11 4.519 -2.945 1.227 1.00 0.00 O +ATOM 181 H GLY A 11 1.324 -4.158 1.376 1.00 0.00 H +ATOM 182 HA2 GLY A 11 2.087 -2.147 2.042 1.00 0.00 H +ATOM 183 HA3 GLY A 11 2.297 -2.847 3.642 1.00 0.00 H +ATOM 184 N PRO A 12 4.898 -2.704 3.442 1.00 0.00 N +ATOM 185 CA PRO A 12 6.359 -2.670 3.324 1.00 0.00 C +ATOM 186 C PRO A 12 6.945 -3.880 2.582 1.00 0.00 C +ATOM 187 O PRO A 12 7.983 -3.757 1.936 1.00 0.00 O +ATOM 188 CB PRO A 12 6.900 -2.604 4.759 1.00 0.00 C +ATOM 189 CG PRO A 12 5.728 -2.068 5.577 1.00 0.00 C +ATOM 190 CD PRO A 12 4.512 -2.626 4.845 1.00 0.00 C +ATOM 191 HA PRO A 12 6.641 -1.759 2.794 1.00 0.00 H +ATOM 192 HB2 PRO A 12 7.189 -3.579 5.102 1.00 0.00 H +ATOM 193 HB3 PRO A 12 7.769 -1.950 4.830 1.00 0.00 H +ATOM 194 HG2 PRO A 12 5.767 -2.427 6.588 1.00 0.00 H +ATOM 195 HG3 PRO A 12 5.715 -0.978 5.530 1.00 0.00 H +ATOM 196 HD2 PRO A 12 4.264 -3.600 5.220 1.00 0.00 H +ATOM 197 HD3 PRO A 12 3.657 -1.969 5.001 1.00 0.00 H +ATOM 198 N SER A 13 6.257 -5.031 2.623 1.00 0.00 N +ATOM 199 CA SER A 13 6.670 -6.282 1.972 1.00 0.00 C +ATOM 200 C SER A 13 6.824 -6.145 0.453 1.00 0.00 C +ATOM 201 O SER A 13 7.646 -6.844 -0.133 1.00 0.00 O +ATOM 202 CB SER A 13 5.666 -7.410 2.245 1.00 0.00 C +ATOM 203 OG SER A 13 5.190 -7.395 3.578 1.00 0.00 O +ATOM 204 H SER A 13 5.393 -5.044 3.149 1.00 0.00 H +ATOM 205 HA SER A 13 7.634 -6.578 2.384 1.00 0.00 H +ATOM 206 HB2 SER A 13 4.832 -7.298 1.579 1.00 0.00 H +ATOM 207 HB3 SER A 13 6.147 -8.369 2.042 1.00 0.00 H +ATOM 208 HG SER A 13 4.440 -6.757 3.610 1.00 0.00 H +ATOM 209 N SER A 14 6.065 -5.236 -0.178 1.00 0.00 N +ATOM 210 CA SER A 14 6.173 -4.951 -1.616 1.00 0.00 C +ATOM 211 C SER A 14 7.384 -4.059 -1.960 1.00 0.00 C +ATOM 212 O SER A 14 7.680 -3.817 -3.128 1.00 0.00 O +ATOM 213 CB SER A 14 4.873 -4.299 -2.106 1.00 0.00 C +ATOM 214 OG SER A 14 4.686 -4.580 -3.476 1.00 0.00 O +ATOM 215 H SER A 14 5.428 -4.670 0.375 1.00 0.00 H +ATOM 216 HA SER A 14 6.289 -5.897 -2.145 1.00 0.00 H +ATOM 217 HB2 SER A 14 4.045 -4.689 -1.546 1.00 0.00 H +ATOM 218 HB3 SER A 14 4.926 -3.220 -1.965 1.00 0.00 H +ATOM 219 HG SER A 14 3.848 -5.193 -3.590 1.00 0.00 H +ATOM 220 N GLY A 15 8.094 -3.531 -0.951 1.00 0.00 N +ATOM 221 CA GLY A 15 9.291 -2.699 -1.108 1.00 0.00 C +ATOM 222 C GLY A 15 9.020 -1.228 -1.452 1.00 0.00 C +ATOM 223 O GLY A 15 9.943 -0.418 -1.405 1.00 0.00 O +ATOM 224 H GLY A 15 7.836 -3.773 0.003 1.00 0.00 H +ATOM 225 HA2 GLY A 15 9.859 -2.730 -0.178 1.00 0.00 H +ATOM 226 HA3 GLY A 15 9.916 -3.120 -1.896 1.00 0.00 H +ATOM 227 N ARG A 16 7.772 -0.861 -1.777 1.00 0.00 N +ATOM 228 CA ARG A 16 7.352 0.518 -2.058 1.00 0.00 C +ATOM 229 C ARG A 16 6.926 1.233 -0.760 1.00 0.00 C +ATOM 230 O ARG A 16 6.220 0.619 0.040 1.00 0.00 O +ATOM 231 CB ARG A 16 6.203 0.479 -3.084 1.00 0.00 C +ATOM 232 CG ARG A 16 5.906 1.869 -3.663 1.00 0.00 C +ATOM 233 CD ARG A 16 4.859 1.824 -4.784 1.00 0.00 C +ATOM 234 NE ARG A 16 5.035 2.953 -5.722 1.00 0.00 N +ATOM 235 CZ ARG A 16 5.956 3.050 -6.675 1.00 0.00 C +ATOM 236 NH1 ARG A 16 6.818 2.086 -6.908 1.00 0.00 N +ATOM 237 NH2 ARG A 16 6.038 4.130 -7.417 1.00 0.00 N +ATOM 238 H ARG A 16 7.080 -1.599 -1.790 1.00 0.00 H +ATOM 239 HA ARG A 16 8.204 1.035 -2.496 1.00 0.00 H +ATOM 240 HB2 ARG A 16 6.476 -0.180 -3.886 1.00 0.00 H +ATOM 241 HB3 ARG A 16 5.302 0.068 -2.623 1.00 0.00 H +ATOM 242 HG2 ARG A 16 5.541 2.500 -2.875 1.00 0.00 H +ATOM 243 HG3 ARG A 16 6.835 2.270 -4.065 1.00 0.00 H +ATOM 244 HD2 ARG A 16 4.961 0.902 -5.323 1.00 0.00 H +ATOM 245 HD3 ARG A 16 3.862 1.868 -4.338 1.00 0.00 H +ATOM 246 HE ARG A 16 4.410 3.733 -5.609 1.00 0.00 H +ATOM 247 HH11 ARG A 16 6.760 1.254 -6.348 1.00 0.00 H +ATOM 248 HH12 ARG A 16 7.516 2.163 -7.627 1.00 0.00 H +ATOM 249 HH21 ARG A 16 5.407 4.899 -7.273 1.00 0.00 H +ATOM 250 HH22 ARG A 16 6.744 4.192 -8.129 1.00 0.00 H +ATOM 251 N PRO A 17 7.271 2.523 -0.549 1.00 0.00 N +ATOM 252 CA PRO A 17 6.808 3.297 0.611 1.00 0.00 C +ATOM 253 C PRO A 17 5.279 3.519 0.624 1.00 0.00 C +ATOM 254 O PRO A 17 4.632 3.367 -0.415 1.00 0.00 O +ATOM 255 CB PRO A 17 7.573 4.626 0.537 1.00 0.00 C +ATOM 256 CG PRO A 17 7.901 4.777 -0.945 1.00 0.00 C +ATOM 257 CD PRO A 17 8.157 3.337 -1.372 1.00 0.00 C +ATOM 258 HA PRO A 17 7.094 2.768 1.522 1.00 0.00 H +ATOM 259 HB2 PRO A 17 6.961 5.439 0.877 1.00 0.00 H +ATOM 260 HB3 PRO A 17 8.500 4.546 1.107 1.00 0.00 H +ATOM 261 HG2 PRO A 17 7.076 5.201 -1.484 1.00 0.00 H +ATOM 262 HG3 PRO A 17 8.773 5.411 -1.109 1.00 0.00 H +ATOM 263 HD2 PRO A 17 7.927 3.208 -2.412 1.00 0.00 H +ATOM 264 HD3 PRO A 17 9.192 3.067 -1.160 1.00 0.00 H +ATOM 265 N PRO A 18 4.694 3.905 1.780 1.00 0.00 N +ATOM 266 CA PRO A 18 3.255 4.134 1.918 1.00 0.00 C +ATOM 267 C PRO A 18 2.773 5.345 1.089 1.00 0.00 C +ATOM 268 O PRO A 18 3.434 6.387 1.085 1.00 0.00 O +ATOM 269 CB PRO A 18 2.999 4.340 3.415 1.00 0.00 C +ATOM 270 CG PRO A 18 4.345 4.826 3.946 1.00 0.00 C +ATOM 271 CD PRO A 18 5.352 4.088 3.066 1.00 0.00 C +ATOM 272 HA PRO A 18 2.740 3.228 1.610 1.00 0.00 H +ATOM 273 HB2 PRO A 18 2.235 5.077 3.575 1.00 0.00 H +ATOM 274 HB3 PRO A 18 2.750 3.384 3.875 1.00 0.00 H +ATOM 275 HG2 PRO A 18 4.442 5.889 3.834 1.00 0.00 H +ATOM 276 HG3 PRO A 18 4.476 4.586 5.001 1.00 0.00 H +ATOM 277 HD2 PRO A 18 6.245 4.671 2.949 1.00 0.00 H +ATOM 278 HD3 PRO A 18 5.572 3.112 3.500 1.00 0.00 H +ATOM 279 N PRO A 19 1.634 5.227 0.378 1.00 0.00 N +ATOM 280 CA PRO A 19 1.081 6.286 -0.462 1.00 0.00 C +ATOM 281 C PRO A 19 0.140 7.224 0.318 1.00 0.00 C +ATOM 282 O PRO A 19 -0.995 6.854 0.627 1.00 0.00 O +ATOM 283 CB PRO A 19 0.343 5.530 -1.568 1.00 0.00 C +ATOM 284 CG PRO A 19 -0.205 4.301 -0.835 1.00 0.00 C +ATOM 285 CD PRO A 19 0.881 3.994 0.190 1.00 0.00 C +ATOM 286 HA PRO A 19 1.884 6.872 -0.910 1.00 0.00 H +ATOM 287 HB2 PRO A 19 -0.453 6.123 -1.976 1.00 0.00 H +ATOM 288 HB3 PRO A 19 1.059 5.213 -2.327 1.00 0.00 H +ATOM 289 HG2 PRO A 19 -1.137 4.524 -0.353 1.00 0.00 H +ATOM 290 HG3 PRO A 19 -0.362 3.458 -1.502 1.00 0.00 H +ATOM 291 HD2 PRO A 19 0.439 3.685 1.117 1.00 0.00 H +ATOM 292 HD3 PRO A 19 1.543 3.227 -0.214 1.00 0.00 H +ATOM 293 N SER A 20 0.592 8.464 0.558 1.00 0.00 N +ATOM 294 CA SER A 20 -0.080 9.471 1.411 1.00 0.00 C +ATOM 295 C SER A 20 -0.300 8.997 2.863 1.00 0.00 C +ATOM 296 O SER A 20 -1.168 9.604 3.527 1.00 0.00 O +ATOM 297 CB SER A 20 -1.392 9.955 0.771 1.00 0.00 C +ATOM 298 OG SER A 20 -1.109 10.475 -0.508 1.00 0.00 O +ATOM 299 OXT SER A 20 0.428 8.079 3.303 1.00 0.00 O +ATOM 300 H SER A 20 1.561 8.632 0.336 1.00 0.00 H +ATOM 301 HA SER A 20 0.570 10.339 1.493 1.00 0.00 H +ATOM 302 HB2 SER A 20 -2.075 9.132 0.683 1.00 0.00 H +ATOM 303 HB3 SER A 20 -1.847 10.731 1.390 1.00 0.00 H +ATOM 304 HG SER A 20 -0.488 9.864 -0.909 1.00 0.00 H +TER 305 SER A 20 +ENDMDL +MODEL 26 +ATOM 1 N ASN A 1 -6.391 7.510 1.067 1.00 0.00 N +ATOM 2 CA ASN A 1 -7.401 6.806 0.244 1.00 0.00 C +ATOM 3 C ASN A 1 -6.844 5.505 -0.338 1.00 0.00 C +ATOM 4 O ASN A 1 -7.312 4.446 0.047 1.00 0.00 O +ATOM 5 CB ASN A 1 -8.052 7.731 -0.811 1.00 0.00 C +ATOM 6 CG ASN A 1 -9.488 7.309 -1.115 1.00 0.00 C +ATOM 7 OD1 ASN A 1 -10.112 6.606 -0.339 1.00 0.00 O +ATOM 8 ND2 ASN A 1 -10.066 7.738 -2.223 1.00 0.00 N +ATOM 9 H1 ASN A 1 -5.984 6.869 1.737 1.00 0.00 H +ATOM 10 H2 ASN A 1 -5.657 7.891 0.486 1.00 0.00 H +ATOM 11 H3 ASN A 1 -6.829 8.267 1.573 1.00 0.00 H +ATOM 12 HA ASN A 1 -8.203 6.494 0.918 1.00 0.00 H +ATOM 13 HB2 ASN A 1 -8.056 8.737 -0.438 1.00 0.00 H +ATOM 14 HB3 ASN A 1 -7.467 7.735 -1.732 1.00 0.00 H +ATOM 15 HD21 ASN A 1 -9.621 8.342 -2.895 1.00 0.00 H +ATOM 16 HD22 ASN A 1 -11.024 7.438 -2.329 1.00 0.00 H +ATOM 17 N LEU A 2 -5.809 5.545 -1.190 1.00 0.00 N +ATOM 18 CA LEU A 2 -5.260 4.361 -1.876 1.00 0.00 C +ATOM 19 C LEU A 2 -4.455 3.379 -0.984 1.00 0.00 C +ATOM 20 O LEU A 2 -3.894 2.406 -1.484 1.00 0.00 O +ATOM 21 CB LEU A 2 -4.436 4.848 -3.091 1.00 0.00 C +ATOM 22 CG LEU A 2 -4.581 3.949 -4.337 1.00 0.00 C +ATOM 23 CD1 LEU A 2 -5.961 4.101 -4.990 1.00 0.00 C +ATOM 24 CD2 LEU A 2 -3.517 4.307 -5.376 1.00 0.00 C +ATOM 25 H LEU A 2 -5.432 6.430 -1.495 1.00 0.00 H +ATOM 26 HA LEU A 2 -6.112 3.787 -2.244 1.00 0.00 H +ATOM 27 HB2 LEU A 2 -4.762 5.838 -3.347 1.00 0.00 H +ATOM 28 HB3 LEU A 2 -3.385 4.897 -2.803 1.00 0.00 H +ATOM 29 HG LEU A 2 -4.439 2.910 -4.055 1.00 0.00 H +ATOM 30 HD11 LEU A 2 -6.748 3.783 -4.309 1.00 0.00 H +ATOM 31 HD12 LEU A 2 -6.130 5.140 -5.275 1.00 0.00 H +ATOM 32 HD13 LEU A 2 -6.013 3.478 -5.884 1.00 0.00 H +ATOM 33 HD21 LEU A 2 -3.640 5.340 -5.703 1.00 0.00 H +ATOM 34 HD22 LEU A 2 -2.523 4.177 -4.947 1.00 0.00 H +ATOM 35 HD23 LEU A 2 -3.611 3.645 -6.237 1.00 0.00 H +ATOM 36 N TYR A 3 -4.393 3.603 0.335 1.00 0.00 N +ATOM 37 CA TYR A 3 -3.609 2.805 1.286 1.00 0.00 C +ATOM 38 C TYR A 3 -3.980 1.311 1.271 1.00 0.00 C +ATOM 39 O TYR A 3 -3.097 0.457 1.342 1.00 0.00 O +ATOM 40 CB TYR A 3 -3.768 3.413 2.688 1.00 0.00 C +ATOM 41 CG TYR A 3 -2.733 2.956 3.700 1.00 0.00 C +ATOM 42 CD1 TYR A 3 -1.416 3.452 3.615 1.00 0.00 C +ATOM 43 CD2 TYR A 3 -3.089 2.094 4.759 1.00 0.00 C +ATOM 44 CE1 TYR A 3 -0.459 3.085 4.578 1.00 0.00 C +ATOM 45 CE2 TYR A 3 -2.137 1.743 5.737 1.00 0.00 C +ATOM 46 CZ TYR A 3 -0.818 2.240 5.645 1.00 0.00 C +ATOM 47 OH TYR A 3 0.102 1.933 6.600 1.00 0.00 O +ATOM 48 H TYR A 3 -4.931 4.374 0.692 1.00 0.00 H +ATOM 49 HA TYR A 3 -2.558 2.880 1.004 1.00 0.00 H +ATOM 50 HB2 TYR A 3 -3.700 4.480 2.599 1.00 0.00 H +ATOM 51 HB3 TYR A 3 -4.769 3.193 3.064 1.00 0.00 H +ATOM 52 HD1 TYR A 3 -1.140 4.153 2.841 1.00 0.00 H +ATOM 53 HD2 TYR A 3 -4.101 1.723 4.839 1.00 0.00 H +ATOM 54 HE1 TYR A 3 0.543 3.484 4.536 1.00 0.00 H +ATOM 55 HE2 TYR A 3 -2.415 1.104 6.560 1.00 0.00 H +ATOM 56 HH TYR A 3 -0.304 1.658 7.423 1.00 0.00 H +ATOM 57 N ILE A 4 -5.271 0.979 1.105 1.00 0.00 N +ATOM 58 CA ILE A 4 -5.754 -0.410 1.022 1.00 0.00 C +ATOM 59 C ILE A 4 -5.089 -1.175 -0.139 1.00 0.00 C +ATOM 60 O ILE A 4 -4.712 -2.334 0.030 1.00 0.00 O +ATOM 61 CB ILE A 4 -7.299 -0.466 0.907 1.00 0.00 C +ATOM 62 CG1 ILE A 4 -8.026 0.325 2.026 1.00 0.00 C +ATOM 63 CG2 ILE A 4 -7.790 -1.925 0.951 1.00 0.00 C +ATOM 64 CD1 ILE A 4 -8.616 1.639 1.507 1.00 0.00 C +ATOM 65 H ILE A 4 -5.941 1.734 1.048 1.00 0.00 H +ATOM 66 HA ILE A 4 -5.466 -0.915 1.945 1.00 0.00 H +ATOM 67 HB ILE A 4 -7.586 -0.056 -0.062 1.00 0.00 H +ATOM 68 HG12 ILE A 4 -8.820 -0.280 2.419 1.00 0.00 H +ATOM 69 HG13 ILE A 4 -7.342 0.536 2.850 1.00 0.00 H +ATOM 70 HG21 ILE A 4 -7.387 -2.483 0.107 1.00 0.00 H +ATOM 71 HG22 ILE A 4 -7.482 -2.388 1.890 1.00 0.00 H +ATOM 72 HG23 ILE A 4 -8.878 -1.947 0.874 1.00 0.00 H +ATOM 73 HD11 ILE A 4 -7.815 2.287 1.164 1.00 0.00 H +ATOM 74 HD12 ILE A 4 -9.304 1.440 0.682 1.00 0.00 H +ATOM 75 HD13 ILE A 4 -9.164 2.137 2.308 1.00 0.00 H +ATOM 76 N GLN A 5 -4.926 -0.531 -1.304 1.00 0.00 N +ATOM 77 CA GLN A 5 -4.245 -1.108 -2.469 1.00 0.00 C +ATOM 78 C GLN A 5 -2.765 -1.396 -2.181 1.00 0.00 C +ATOM 79 O GLN A 5 -2.271 -2.461 -2.542 1.00 0.00 O +ATOM 80 CB GLN A 5 -4.387 -0.170 -3.681 1.00 0.00 C +ATOM 81 CG GLN A 5 -5.621 -0.468 -4.541 1.00 0.00 C +ATOM 82 CD GLN A 5 -5.458 -1.776 -5.310 1.00 0.00 C +ATOM 83 OE1 GLN A 5 -4.686 -1.876 -6.248 1.00 0.00 O +ATOM 84 NE2 GLN A 5 -6.163 -2.827 -4.942 1.00 0.00 N +ATOM 85 H GLN A 5 -5.175 0.448 -1.343 1.00 0.00 H +ATOM 86 HA GLN A 5 -4.705 -2.066 -2.705 1.00 0.00 H +ATOM 87 HB2 GLN A 5 -4.457 0.839 -3.324 1.00 0.00 H +ATOM 88 HB3 GLN A 5 -3.501 -0.243 -4.314 1.00 0.00 H +ATOM 89 HG2 GLN A 5 -6.481 -0.542 -3.904 1.00 0.00 H +ATOM 90 HG3 GLN A 5 -5.740 0.337 -5.267 1.00 0.00 H +ATOM 91 HE21 GLN A 5 -6.842 -2.805 -4.203 1.00 0.00 H +ATOM 92 HE22 GLN A 5 -5.976 -3.641 -5.504 1.00 0.00 H +ATOM 93 N TRP A 6 -2.070 -0.489 -1.486 1.00 0.00 N +ATOM 94 CA TRP A 6 -0.694 -0.725 -1.048 1.00 0.00 C +ATOM 95 C TRP A 6 -0.586 -1.880 -0.041 1.00 0.00 C +ATOM 96 O TRP A 6 0.293 -2.734 -0.172 1.00 0.00 O +ATOM 97 CB TRP A 6 -0.120 0.575 -0.487 1.00 0.00 C +ATOM 98 CG TRP A 6 1.275 0.460 0.036 1.00 0.00 C +ATOM 99 CD1 TRP A 6 2.391 0.368 -0.723 1.00 0.00 C +ATOM 100 CD2 TRP A 6 1.722 0.382 1.424 1.00 0.00 C +ATOM 101 NE1 TRP A 6 3.492 0.238 0.099 1.00 0.00 N +ATOM 102 CE2 TRP A 6 3.144 0.266 1.428 1.00 0.00 C +ATOM 103 CE3 TRP A 6 1.079 0.400 2.681 1.00 0.00 C +ATOM 104 CZ2 TRP A 6 3.896 0.202 2.607 1.00 0.00 C +ATOM 105 CZ3 TRP A 6 1.824 0.321 3.875 1.00 0.00 C +ATOM 106 CH2 TRP A 6 3.227 0.234 3.842 1.00 0.00 C +ATOM 107 H TRP A 6 -2.540 0.365 -1.212 1.00 0.00 H +ATOM 108 HA TRP A 6 -0.096 -1.008 -1.916 1.00 0.00 H +ATOM 109 HB2 TRP A 6 -0.125 1.309 -1.269 1.00 0.00 H +ATOM 110 HB3 TRP A 6 -0.758 0.938 0.318 1.00 0.00 H +ATOM 111 HD1 TRP A 6 2.415 0.380 -1.804 1.00 0.00 H +ATOM 112 HE1 TRP A 6 4.461 0.154 -0.221 1.00 0.00 H +ATOM 113 HE3 TRP A 6 0.002 0.485 2.724 1.00 0.00 H +ATOM 114 HZ2 TRP A 6 4.971 0.113 2.553 1.00 0.00 H +ATOM 115 HZ3 TRP A 6 1.315 0.339 4.828 1.00 0.00 H +ATOM 116 HH2 TRP A 6 3.787 0.188 4.764 1.00 0.00 H +ATOM 117 N LEU A 7 -1.509 -1.961 0.928 1.00 0.00 N +ATOM 118 CA LEU A 7 -1.576 -3.104 1.842 1.00 0.00 C +ATOM 119 C LEU A 7 -1.846 -4.428 1.109 1.00 0.00 C +ATOM 120 O LEU A 7 -1.246 -5.436 1.477 1.00 0.00 O +ATOM 121 CB LEU A 7 -2.635 -2.881 2.933 1.00 0.00 C +ATOM 122 CG LEU A 7 -2.340 -1.734 3.917 1.00 0.00 C +ATOM 123 CD1 LEU A 7 -3.514 -1.637 4.896 1.00 0.00 C +ATOM 124 CD2 LEU A 7 -1.050 -1.947 4.717 1.00 0.00 C +ATOM 125 H LEU A 7 -2.179 -1.199 1.017 1.00 0.00 H +ATOM 126 HA LEU A 7 -0.602 -3.218 2.316 1.00 0.00 H +ATOM 127 HB2 LEU A 7 -3.569 -2.670 2.449 1.00 0.00 H +ATOM 128 HB3 LEU A 7 -2.724 -3.804 3.508 1.00 0.00 H +ATOM 129 HG LEU A 7 -2.258 -0.794 3.378 1.00 0.00 H +ATOM 130 HD11 LEU A 7 -4.444 -1.501 4.345 1.00 0.00 H +ATOM 131 HD12 LEU A 7 -3.577 -2.544 5.497 1.00 0.00 H +ATOM 132 HD13 LEU A 7 -3.373 -0.786 5.557 1.00 0.00 H +ATOM 133 HD21 LEU A 7 -1.082 -2.901 5.242 1.00 0.00 H +ATOM 134 HD22 LEU A 7 -0.188 -1.932 4.050 1.00 0.00 H +ATOM 135 HD23 LEU A 7 -0.929 -1.141 5.440 1.00 0.00 H +ATOM 136 N LYS A 8 -2.690 -4.435 0.061 1.00 0.00 N +ATOM 137 CA LYS A 8 -2.971 -5.620 -0.774 1.00 0.00 C +ATOM 138 C LYS A 8 -1.703 -6.283 -1.322 1.00 0.00 C +ATOM 139 O LYS A 8 -1.660 -7.507 -1.400 1.00 0.00 O +ATOM 140 CB LYS A 8 -3.900 -5.260 -1.954 1.00 0.00 C +ATOM 141 CG LYS A 8 -5.270 -5.950 -1.934 1.00 0.00 C +ATOM 142 CD LYS A 8 -6.299 -5.296 -1.003 1.00 0.00 C +ATOM 143 CE LYS A 8 -6.225 -5.825 0.432 1.00 0.00 C +ATOM 144 NZ LYS A 8 -7.472 -5.522 1.173 1.00 0.00 N +ATOM 145 H LYS A 8 -3.165 -3.561 -0.155 1.00 0.00 H +ATOM 146 HA LYS A 8 -3.442 -6.380 -0.153 1.00 0.00 H +ATOM 147 HB2 LYS A 8 -4.061 -4.199 -1.939 1.00 0.00 H +ATOM 148 HB3 LYS A 8 -3.414 -5.561 -2.885 1.00 0.00 H +ATOM 149 HG2 LYS A 8 -5.666 -5.938 -2.931 1.00 0.00 H +ATOM 150 HG3 LYS A 8 -5.158 -7.008 -1.693 1.00 0.00 H +ATOM 151 HD2 LYS A 8 -6.123 -4.238 -0.987 1.00 0.00 H +ATOM 152 HD3 LYS A 8 -7.289 -5.514 -1.408 1.00 0.00 H +ATOM 153 HE2 LYS A 8 -6.080 -6.888 0.407 1.00 0.00 H +ATOM 154 HE3 LYS A 8 -5.360 -5.380 0.933 1.00 0.00 H +ATOM 155 HZ1 LYS A 8 -7.622 -4.522 1.214 1.00 0.00 H +ATOM 156 HZ2 LYS A 8 -8.262 -5.946 0.705 1.00 0.00 H +ATOM 157 HZ3 LYS A 8 -7.423 -5.889 2.114 1.00 0.00 H +ATOM 158 N ASP A 9 -0.697 -5.489 -1.696 1.00 0.00 N +ATOM 159 CA ASP A 9 0.578 -5.995 -2.210 1.00 0.00 C +ATOM 160 C ASP A 9 1.430 -6.676 -1.116 1.00 0.00 C +ATOM 161 O ASP A 9 2.217 -7.569 -1.419 1.00 0.00 O +ATOM 162 CB ASP A 9 1.320 -4.822 -2.871 1.00 0.00 C +ATOM 163 CG ASP A 9 2.419 -5.299 -3.819 1.00 0.00 C +ATOM 164 OD1 ASP A 9 3.520 -5.598 -3.301 1.00 0.00 O +ATOM 165 OD2 ASP A 9 2.157 -5.333 -5.040 1.00 0.00 O +ATOM 166 H ASP A 9 -0.826 -4.488 -1.630 1.00 0.00 H +ATOM 167 HA ASP A 9 0.373 -6.742 -2.979 1.00 0.00 H +ATOM 168 HB2 ASP A 9 0.614 -4.235 -3.427 1.00 0.00 H +ATOM 169 HB3 ASP A 9 1.750 -4.177 -2.102 1.00 0.00 H +ATOM 170 N GLY A 10 1.241 -6.295 0.157 1.00 0.00 N +ATOM 171 CA GLY A 10 2.072 -6.717 1.292 1.00 0.00 C +ATOM 172 C GLY A 10 2.600 -5.567 2.160 1.00 0.00 C +ATOM 173 O GLY A 10 3.329 -5.819 3.122 1.00 0.00 O +ATOM 174 H GLY A 10 0.439 -5.705 0.348 1.00 0.00 H +ATOM 175 HA2 GLY A 10 1.481 -7.376 1.928 1.00 0.00 H +ATOM 176 HA3 GLY A 10 2.933 -7.279 0.931 1.00 0.00 H +ATOM 177 N GLY A 11 2.242 -4.309 1.862 1.00 0.00 N +ATOM 178 CA GLY A 11 2.640 -3.145 2.653 1.00 0.00 C +ATOM 179 C GLY A 11 4.171 -3.021 2.779 1.00 0.00 C +ATOM 180 O GLY A 11 4.857 -3.010 1.755 1.00 0.00 O +ATOM 181 H GLY A 11 1.703 -4.147 1.019 1.00 0.00 H +ATOM 182 HA2 GLY A 11 2.262 -2.248 2.167 1.00 0.00 H +ATOM 183 HA3 GLY A 11 2.174 -3.222 3.633 1.00 0.00 H +ATOM 184 N PRO A 12 4.750 -2.936 3.998 1.00 0.00 N +ATOM 185 CA PRO A 12 6.203 -2.848 4.176 1.00 0.00 C +ATOM 186 C PRO A 12 6.986 -3.997 3.521 1.00 0.00 C +ATOM 187 O PRO A 12 8.127 -3.802 3.103 1.00 0.00 O +ATOM 188 CB PRO A 12 6.446 -2.831 5.690 1.00 0.00 C +ATOM 189 CG PRO A 12 5.113 -2.378 6.278 1.00 0.00 C +ATOM 190 CD PRO A 12 4.086 -2.931 5.293 1.00 0.00 C +ATOM 191 HA PRO A 12 6.548 -1.905 3.749 1.00 0.00 H +ATOM 192 HB2 PRO A 12 6.705 -3.810 6.045 1.00 0.00 H +ATOM 193 HB3 PRO A 12 7.253 -2.148 5.957 1.00 0.00 H +ATOM 194 HG2 PRO A 12 4.966 -2.790 7.258 1.00 0.00 H +ATOM 195 HG3 PRO A 12 5.066 -1.289 6.283 1.00 0.00 H +ATOM 196 HD2 PRO A 12 3.799 -3.927 5.571 1.00 0.00 H +ATOM 197 HD3 PRO A 12 3.196 -2.303 5.294 1.00 0.00 H +ATOM 198 N SER A 13 6.377 -5.184 3.397 1.00 0.00 N +ATOM 199 CA SER A 13 6.999 -6.365 2.789 1.00 0.00 C +ATOM 200 C SER A 13 7.090 -6.294 1.255 1.00 0.00 C +ATOM 201 O SER A 13 7.691 -7.181 0.653 1.00 0.00 O +ATOM 202 CB SER A 13 6.253 -7.630 3.234 1.00 0.00 C +ATOM 203 OG SER A 13 6.246 -7.721 4.648 1.00 0.00 O +ATOM 204 H SER A 13 5.417 -5.288 3.715 1.00 0.00 H +ATOM 205 HA SER A 13 8.023 -6.439 3.156 1.00 0.00 H +ATOM 206 HB2 SER A 13 5.242 -7.590 2.876 1.00 0.00 H +ATOM 207 HB3 SER A 13 6.749 -8.510 2.826 1.00 0.00 H +ATOM 208 HG SER A 13 7.152 -7.694 4.967 1.00 0.00 H +ATOM 209 N SER A 14 6.547 -5.244 0.623 1.00 0.00 N +ATOM 210 CA SER A 14 6.546 -5.037 -0.834 1.00 0.00 C +ATOM 211 C SER A 14 7.710 -4.195 -1.366 1.00 0.00 C +ATOM 212 O SER A 14 7.806 -3.980 -2.574 1.00 0.00 O +ATOM 213 CB SER A 14 5.255 -4.326 -1.232 1.00 0.00 C +ATOM 214 OG SER A 14 4.168 -5.191 -1.045 1.00 0.00 O +ATOM 215 H SER A 14 6.016 -4.575 1.174 1.00 0.00 H +ATOM 216 HA SER A 14 6.572 -6.003 -1.341 1.00 0.00 H +ATOM 217 HB2 SER A 14 5.126 -3.452 -0.623 1.00 0.00 H +ATOM 218 HB3 SER A 14 5.295 -4.054 -2.288 1.00 0.00 H +ATOM 219 HG SER A 14 3.879 -5.451 -2.001 1.00 0.00 H +ATOM 220 N GLY A 15 8.565 -3.636 -0.501 1.00 0.00 N +ATOM 221 CA GLY A 15 9.674 -2.757 -0.898 1.00 0.00 C +ATOM 222 C GLY A 15 9.253 -1.339 -1.324 1.00 0.00 C +ATOM 223 O GLY A 15 9.969 -0.382 -1.033 1.00 0.00 O +ATOM 224 H GLY A 15 8.424 -3.831 0.482 1.00 0.00 H +ATOM 225 HA2 GLY A 15 10.376 -2.674 -0.069 1.00 0.00 H +ATOM 226 HA3 GLY A 15 10.203 -3.214 -1.736 1.00 0.00 H +ATOM 227 N ARG A 16 8.102 -1.178 -1.996 1.00 0.00 N +ATOM 228 CA ARG A 16 7.531 0.125 -2.365 1.00 0.00 C +ATOM 229 C ARG A 16 6.961 0.857 -1.128 1.00 0.00 C +ATOM 230 O ARG A 16 6.215 0.232 -0.372 1.00 0.00 O +ATOM 231 CB ARG A 16 6.442 -0.081 -3.437 1.00 0.00 C +ATOM 232 CG ARG A 16 5.971 1.260 -4.018 1.00 0.00 C +ATOM 233 CD ARG A 16 4.982 1.094 -5.178 1.00 0.00 C +ATOM 234 NE ARG A 16 4.802 2.367 -5.907 1.00 0.00 N +ATOM 235 CZ ARG A 16 5.658 2.919 -6.763 1.00 0.00 C +ATOM 236 NH1 ARG A 16 6.787 2.331 -7.088 1.00 0.00 N +ATOM 237 NH2 ARG A 16 5.400 4.083 -7.311 1.00 0.00 N +ATOM 238 H ARG A 16 7.619 -2.035 -2.253 1.00 0.00 H +ATOM 239 HA ARG A 16 8.340 0.714 -2.794 1.00 0.00 H +ATOM 240 HB2 ARG A 16 6.841 -0.685 -4.229 1.00 0.00 H +ATOM 241 HB3 ARG A 16 5.593 -0.617 -3.009 1.00 0.00 H +ATOM 242 HG2 ARG A 16 5.493 1.822 -3.239 1.00 0.00 H +ATOM 243 HG3 ARG A 16 6.844 1.801 -4.375 1.00 0.00 H +ATOM 244 HD2 ARG A 16 5.357 0.352 -5.856 1.00 0.00 H +ATOM 245 HD3 ARG A 16 4.021 0.765 -4.779 1.00 0.00 H +ATOM 246 HE ARG A 16 3.960 2.882 -5.711 1.00 0.00 H +ATOM 247 HH11 ARG A 16 6.987 1.438 -6.674 1.00 0.00 H +ATOM 248 HH12 ARG A 16 7.437 2.753 -7.728 1.00 0.00 H +ATOM 249 HH21 ARG A 16 4.551 4.572 -7.091 1.00 0.00 H +ATOM 250 HH22 ARG A 16 6.056 4.492 -7.951 1.00 0.00 H +ATOM 251 N PRO A 17 7.229 2.166 -0.931 1.00 0.00 N +ATOM 252 CA PRO A 17 6.645 2.952 0.164 1.00 0.00 C +ATOM 253 C PRO A 17 5.124 3.174 0.002 1.00 0.00 C +ATOM 254 O PRO A 17 4.593 2.997 -1.099 1.00 0.00 O +ATOM 255 CB PRO A 17 7.407 4.284 0.146 1.00 0.00 C +ATOM 256 CG PRO A 17 7.816 4.441 -1.315 1.00 0.00 C +ATOM 257 CD PRO A 17 8.118 3.003 -1.727 1.00 0.00 C +ATOM 258 HA PRO A 17 6.829 2.440 1.109 1.00 0.00 H +ATOM 259 HB2 PRO A 17 6.773 5.093 0.456 1.00 0.00 H +ATOM 260 HB3 PRO A 17 8.301 4.200 0.766 1.00 0.00 H +ATOM 261 HG2 PRO A 17 7.016 4.853 -1.900 1.00 0.00 H +ATOM 262 HG3 PRO A 17 8.685 5.087 -1.430 1.00 0.00 H +ATOM 263 HD2 PRO A 17 7.923 2.865 -2.773 1.00 0.00 H +ATOM 264 HD3 PRO A 17 9.154 2.758 -1.485 1.00 0.00 H +ATOM 265 N PRO A 18 4.413 3.584 1.073 1.00 0.00 N +ATOM 266 CA PRO A 18 2.970 3.822 1.030 1.00 0.00 C +ATOM 267 C PRO A 18 2.594 5.069 0.201 1.00 0.00 C +ATOM 268 O PRO A 18 3.394 5.998 0.089 1.00 0.00 O +ATOM 269 CB PRO A 18 2.538 3.970 2.492 1.00 0.00 C +ATOM 270 CG PRO A 18 3.794 4.489 3.188 1.00 0.00 C +ATOM 271 CD PRO A 18 4.918 3.789 2.425 1.00 0.00 C +ATOM 272 HA PRO A 18 2.489 2.946 0.603 1.00 0.00 H +ATOM 273 HB2 PRO A 18 1.732 4.672 2.584 1.00 0.00 H +ATOM 274 HB3 PRO A 18 2.286 2.991 2.895 1.00 0.00 H +ATOM 275 HG2 PRO A 18 3.872 5.555 3.099 1.00 0.00 H +ATOM 276 HG3 PRO A 18 3.805 4.232 4.248 1.00 0.00 H +ATOM 277 HD2 PRO A 18 5.797 4.405 2.406 1.00 0.00 H +ATOM 278 HD3 PRO A 18 5.127 2.823 2.884 1.00 0.00 H +ATOM 279 N PRO A 19 1.367 5.119 -0.360 1.00 0.00 N +ATOM 280 CA PRO A 19 0.902 6.218 -1.210 1.00 0.00 C +ATOM 281 C PRO A 19 0.393 7.441 -0.434 1.00 0.00 C +ATOM 282 O PRO A 19 0.376 8.539 -0.986 1.00 0.00 O +ATOM 283 CB PRO A 19 -0.244 5.614 -2.031 1.00 0.00 C +ATOM 284 CG PRO A 19 -0.838 4.567 -1.088 1.00 0.00 C +ATOM 285 CD PRO A 19 0.396 4.036 -0.365 1.00 0.00 C +ATOM 286 HA PRO A 19 1.700 6.542 -1.881 1.00 0.00 H +ATOM 287 HB2 PRO A 19 -0.972 6.361 -2.283 1.00 0.00 H +ATOM 288 HB3 PRO A 19 0.161 5.121 -2.915 1.00 0.00 H +ATOM 289 HG2 PRO A 19 -1.529 5.013 -0.399 1.00 0.00 H +ATOM 290 HG3 PRO A 19 -1.356 3.777 -1.634 1.00 0.00 H +ATOM 291 HD2 PRO A 19 0.146 3.757 0.640 1.00 0.00 H +ATOM 292 HD3 PRO A 19 0.819 3.209 -0.930 1.00 0.00 H +ATOM 293 N SER A 20 -0.071 7.250 0.808 1.00 0.00 N +ATOM 294 CA SER A 20 -0.627 8.275 1.694 1.00 0.00 C +ATOM 295 C SER A 20 -0.615 7.810 3.147 1.00 0.00 C +ATOM 296 O SER A 20 -0.310 6.619 3.378 1.00 0.00 O +ATOM 297 CB SER A 20 -2.071 8.593 1.302 1.00 0.00 C +ATOM 298 OG SER A 20 -2.519 9.564 2.220 1.00 0.00 O +ATOM 299 OXT SER A 20 -1.045 8.668 3.958 1.00 0.00 O +ATOM 300 H SER A 20 0.027 6.343 1.249 1.00 0.00 H +ATOM 301 HA SER A 20 -0.028 9.183 1.627 1.00 0.00 H +ATOM 302 HB2 SER A 20 -2.109 8.980 0.302 1.00 0.00 H +ATOM 303 HB3 SER A 20 -2.678 7.692 1.404 1.00 0.00 H +ATOM 304 HG SER A 20 -1.976 9.352 3.052 1.00 0.00 H +TER 305 SER A 20 +ENDMDL +MODEL 27 +ATOM 1 N ASN A 1 -6.891 7.053 0.882 1.00 0.00 N +ATOM 2 CA ASN A 1 -7.783 6.096 0.185 1.00 0.00 C +ATOM 3 C ASN A 1 -7.000 4.934 -0.439 1.00 0.00 C +ATOM 4 O ASN A 1 -7.252 3.795 -0.069 1.00 0.00 O +ATOM 5 CB ASN A 1 -8.741 6.795 -0.802 1.00 0.00 C +ATOM 6 CG ASN A 1 -10.186 6.423 -0.481 1.00 0.00 C +ATOM 7 OD1 ASN A 1 -10.742 5.509 -1.060 1.00 0.00 O +ATOM 8 ND2 ASN A 1 -10.818 7.078 0.477 1.00 0.00 N +ATOM 9 H1 ASN A 1 -6.270 6.561 1.512 1.00 0.00 H +ATOM 10 H2 ASN A 1 -6.341 7.576 0.215 1.00 0.00 H +ATOM 11 H3 ASN A 1 -7.442 7.704 1.424 1.00 0.00 H +ATOM 12 HA ASN A 1 -8.409 5.625 0.947 1.00 0.00 H +ATOM 13 HB2 ASN A 1 -8.621 7.858 -0.720 1.00 0.00 H +ATOM 14 HB3 ASN A 1 -8.526 6.488 -1.827 1.00 0.00 H +ATOM 15 HD21 ASN A 1 -10.460 7.874 0.978 1.00 0.00 H +ATOM 16 HD22 ASN A 1 -11.767 6.760 0.616 1.00 0.00 H +ATOM 17 N LEU A 2 -6.006 5.194 -1.304 1.00 0.00 N +ATOM 18 CA LEU A 2 -5.176 4.163 -1.955 1.00 0.00 C +ATOM 19 C LEU A 2 -4.381 3.236 -1.006 1.00 0.00 C +ATOM 20 O LEU A 2 -3.851 2.217 -1.451 1.00 0.00 O +ATOM 21 CB LEU A 2 -4.228 4.849 -2.968 1.00 0.00 C +ATOM 22 CG LEU A 2 -4.572 4.553 -4.446 1.00 0.00 C +ATOM 23 CD1 LEU A 2 -4.888 5.843 -5.207 1.00 0.00 C +ATOM 24 CD2 LEU A 2 -3.420 3.823 -5.139 1.00 0.00 C +ATOM 25 H LEU A 2 -5.840 6.139 -1.619 1.00 0.00 H +ATOM 26 HA LEU A 2 -5.853 3.499 -2.494 1.00 0.00 H +ATOM 27 HB2 LEU A 2 -4.280 5.910 -2.815 1.00 0.00 H +ATOM 28 HB3 LEU A 2 -3.207 4.517 -2.778 1.00 0.00 H +ATOM 29 HG LEU A 2 -5.453 3.919 -4.507 1.00 0.00 H +ATOM 30 HD11 LEU A 2 -5.757 6.328 -4.763 1.00 0.00 H +ATOM 31 HD12 LEU A 2 -4.034 6.520 -5.172 1.00 0.00 H +ATOM 32 HD13 LEU A 2 -5.113 5.608 -6.248 1.00 0.00 H +ATOM 33 HD21 LEU A 2 -2.521 4.441 -5.130 1.00 0.00 H +ATOM 34 HD22 LEU A 2 -3.217 2.884 -4.623 1.00 0.00 H +ATOM 35 HD23 LEU A 2 -3.691 3.600 -6.170 1.00 0.00 H +ATOM 36 N TYR A 3 -4.322 3.538 0.295 1.00 0.00 N +ATOM 37 CA TYR A 3 -3.630 2.739 1.309 1.00 0.00 C +ATOM 38 C TYR A 3 -4.063 1.261 1.312 1.00 0.00 C +ATOM 39 O TYR A 3 -3.226 0.377 1.478 1.00 0.00 O +ATOM 40 CB TYR A 3 -3.838 3.395 2.684 1.00 0.00 C +ATOM 41 CG TYR A 3 -2.746 3.070 3.682 1.00 0.00 C +ATOM 42 CD1 TYR A 3 -1.555 3.822 3.668 1.00 0.00 C +ATOM 43 CD2 TYR A 3 -2.916 2.041 4.628 1.00 0.00 C +ATOM 44 CE1 TYR A 3 -0.528 3.543 4.588 1.00 0.00 C +ATOM 45 CE2 TYR A 3 -1.889 1.757 5.549 1.00 0.00 C +ATOM 46 CZ TYR A 3 -0.690 2.503 5.526 1.00 0.00 C +ATOM 47 OH TYR A 3 0.302 2.210 6.407 1.00 0.00 O +ATOM 48 H TYR A 3 -4.782 4.379 0.596 1.00 0.00 H +ATOM 49 HA TYR A 3 -2.564 2.767 1.081 1.00 0.00 H +ATOM 50 HB2 TYR A 3 -3.870 4.459 2.551 1.00 0.00 H +ATOM 51 HB3 TYR A 3 -4.808 3.100 3.087 1.00 0.00 H +ATOM 52 HD1 TYR A 3 -1.427 4.632 2.963 1.00 0.00 H +ATOM 53 HD2 TYR A 3 -3.834 1.470 4.653 1.00 0.00 H +ATOM 54 HE1 TYR A 3 0.367 4.148 4.584 1.00 0.00 H +ATOM 55 HE2 TYR A 3 -1.998 0.980 6.291 1.00 0.00 H +ATOM 56 HH TYR A 3 1.068 2.771 6.272 1.00 0.00 H +ATOM 57 N ILE A 4 -5.351 0.975 1.056 1.00 0.00 N +ATOM 58 CA ILE A 4 -5.888 -0.395 0.981 1.00 0.00 C +ATOM 59 C ILE A 4 -5.258 -1.202 -0.170 1.00 0.00 C +ATOM 60 O ILE A 4 -5.000 -2.397 -0.010 1.00 0.00 O +ATOM 61 CB ILE A 4 -7.431 -0.365 0.840 1.00 0.00 C +ATOM 62 CG1 ILE A 4 -8.123 0.422 1.988 1.00 0.00 C +ATOM 63 CG2 ILE A 4 -8.009 -1.791 0.799 1.00 0.00 C +ATOM 64 CD1 ILE A 4 -8.974 1.614 1.515 1.00 0.00 C +ATOM 65 H ILE A 4 -5.981 1.754 0.908 1.00 0.00 H +ATOM 66 HA ILE A 4 -5.641 -0.909 1.910 1.00 0.00 H +ATOM 67 HB ILE A 4 -7.663 0.104 -0.117 1.00 0.00 H +ATOM 68 HG12 ILE A 4 -8.761 -0.255 2.523 1.00 0.00 H +ATOM 69 HG13 ILE A 4 -7.383 0.790 2.700 1.00 0.00 H +ATOM 70 HG21 ILE A 4 -7.689 -2.299 -0.111 1.00 0.00 H +ATOM 71 HG22 ILE A 4 -7.678 -2.350 1.677 1.00 0.00 H +ATOM 72 HG23 ILE A 4 -9.099 -1.748 0.791 1.00 0.00 H +ATOM 73 HD11 ILE A 4 -8.549 2.540 1.901 1.00 0.00 H +ATOM 74 HD12 ILE A 4 -9.023 1.674 0.427 1.00 0.00 H +ATOM 75 HD13 ILE A 4 -9.990 1.511 1.898 1.00 0.00 H +ATOM 76 N GLN A 5 -5.008 -0.559 -1.320 1.00 0.00 N +ATOM 77 CA GLN A 5 -4.326 -1.156 -2.473 1.00 0.00 C +ATOM 78 C GLN A 5 -2.853 -1.433 -2.147 1.00 0.00 C +ATOM 79 O GLN A 5 -2.377 -2.543 -2.369 1.00 0.00 O +ATOM 80 CB GLN A 5 -4.472 -0.240 -3.703 1.00 0.00 C +ATOM 81 CG GLN A 5 -5.830 -0.425 -4.399 1.00 0.00 C +ATOM 82 CD GLN A 5 -6.178 0.770 -5.279 1.00 0.00 C +ATOM 83 OE1 GLN A 5 -5.720 0.909 -6.400 1.00 0.00 O +ATOM 84 NE2 GLN A 5 -7.002 1.685 -4.804 1.00 0.00 N +ATOM 85 H GLN A 5 -5.155 0.443 -1.336 1.00 0.00 H +ATOM 86 HA GLN A 5 -4.787 -2.118 -2.705 1.00 0.00 H +ATOM 87 HB2 GLN A 5 -4.380 0.781 -3.387 1.00 0.00 H +ATOM 88 HB3 GLN A 5 -3.684 -0.462 -4.425 1.00 0.00 H +ATOM 89 HG2 GLN A 5 -5.791 -1.307 -5.009 1.00 0.00 H +ATOM 90 HG3 GLN A 5 -6.617 -0.559 -3.656 1.00 0.00 H +ATOM 91 HE21 GLN A 5 -7.431 1.614 -3.898 1.00 0.00 H +ATOM 92 HE22 GLN A 5 -7.199 2.423 -5.458 1.00 0.00 H +ATOM 93 N TRP A 6 -2.147 -0.465 -1.550 1.00 0.00 N +ATOM 94 CA TRP A 6 -0.764 -0.655 -1.100 1.00 0.00 C +ATOM 95 C TRP A 6 -0.620 -1.767 -0.046 1.00 0.00 C +ATOM 96 O TRP A 6 0.292 -2.590 -0.131 1.00 0.00 O +ATOM 97 CB TRP A 6 -0.223 0.670 -0.570 1.00 0.00 C +ATOM 98 CG TRP A 6 1.164 0.588 -0.013 1.00 0.00 C +ATOM 99 CD1 TRP A 6 2.300 0.553 -0.745 1.00 0.00 C +ATOM 100 CD2 TRP A 6 1.583 0.484 1.384 1.00 0.00 C +ATOM 101 NE1 TRP A 6 3.385 0.445 0.101 1.00 0.00 N +ATOM 102 CE2 TRP A 6 3.006 0.404 1.417 1.00 0.00 C +ATOM 103 CE3 TRP A 6 0.917 0.446 2.628 1.00 0.00 C +ATOM 104 CZ2 TRP A 6 3.739 0.321 2.605 1.00 0.00 C +ATOM 105 CZ3 TRP A 6 1.641 0.345 3.833 1.00 0.00 C +ATOM 106 CH2 TRP A 6 3.047 0.297 3.825 1.00 0.00 C +ATOM 107 H TRP A 6 -2.601 0.431 -1.402 1.00 0.00 H +ATOM 108 HA TRP A 6 -0.156 -0.955 -1.957 1.00 0.00 H +ATOM 109 HB2 TRP A 6 -0.221 1.379 -1.376 1.00 0.00 H +ATOM 110 HB3 TRP A 6 -0.886 1.043 0.211 1.00 0.00 H +ATOM 111 HD1 TRP A 6 2.343 0.604 -1.827 1.00 0.00 H +ATOM 112 HE1 TRP A 6 4.363 0.430 -0.184 1.00 0.00 H +ATOM 113 HE3 TRP A 6 -0.163 0.502 2.652 1.00 0.00 H +ATOM 114 HZ2 TRP A 6 4.818 0.270 2.567 1.00 0.00 H +ATOM 115 HZ3 TRP A 6 1.113 0.309 4.774 1.00 0.00 H +ATOM 116 HH2 TRP A 6 3.594 0.239 4.756 1.00 0.00 H +ATOM 117 N LEU A 7 -1.538 -1.844 0.927 1.00 0.00 N +ATOM 118 CA LEU A 7 -1.586 -2.971 1.862 1.00 0.00 C +ATOM 119 C LEU A 7 -1.803 -4.308 1.137 1.00 0.00 C +ATOM 120 O LEU A 7 -1.174 -5.298 1.515 1.00 0.00 O +ATOM 121 CB LEU A 7 -2.666 -2.743 2.930 1.00 0.00 C +ATOM 122 CG LEU A 7 -2.317 -1.692 4.002 1.00 0.00 C +ATOM 123 CD1 LEU A 7 -3.510 -1.571 4.957 1.00 0.00 C +ATOM 124 CD2 LEU A 7 -1.074 -2.069 4.817 1.00 0.00 C +ATOM 125 H LEU A 7 -2.228 -1.098 1.006 1.00 0.00 H +ATOM 126 HA LEU A 7 -0.615 -3.051 2.349 1.00 0.00 H +ATOM 127 HB2 LEU A 7 -3.562 -2.425 2.433 1.00 0.00 H +ATOM 128 HB3 LEU A 7 -2.847 -3.693 3.438 1.00 0.00 H +ATOM 129 HG LEU A 7 -2.144 -0.726 3.537 1.00 0.00 H +ATOM 130 HD11 LEU A 7 -4.393 -1.251 4.403 1.00 0.00 H +ATOM 131 HD12 LEU A 7 -3.709 -2.532 5.432 1.00 0.00 H +ATOM 132 HD13 LEU A 7 -3.298 -0.838 5.731 1.00 0.00 H +ATOM 133 HD21 LEU A 7 -1.167 -3.087 5.199 1.00 0.00 H +ATOM 134 HD22 LEU A 7 -0.183 -1.995 4.196 1.00 0.00 H +ATOM 135 HD23 LEU A 7 -0.956 -1.382 5.655 1.00 0.00 H +ATOM 136 N LYS A 8 -2.624 -4.342 0.073 1.00 0.00 N +ATOM 137 CA LYS A 8 -2.837 -5.530 -0.770 1.00 0.00 C +ATOM 138 C LYS A 8 -1.539 -6.072 -1.384 1.00 0.00 C +ATOM 139 O LYS A 8 -1.398 -7.286 -1.490 1.00 0.00 O +ATOM 140 CB LYS A 8 -3.851 -5.224 -1.892 1.00 0.00 C +ATOM 141 CG LYS A 8 -4.867 -6.357 -2.133 1.00 0.00 C +ATOM 142 CD LYS A 8 -6.241 -6.033 -1.528 1.00 0.00 C +ATOM 143 CE LYS A 8 -6.193 -5.982 0.004 1.00 0.00 C +ATOM 144 NZ LYS A 8 -7.398 -5.322 0.557 1.00 0.00 N +ATOM 145 H LYS A 8 -3.095 -3.479 -0.180 1.00 0.00 H +ATOM 146 HA LYS A 8 -3.224 -6.323 -0.132 1.00 0.00 H +ATOM 147 HB2 LYS A 8 -4.391 -4.335 -1.628 1.00 0.00 H +ATOM 148 HB3 LYS A 8 -3.307 -5.048 -2.822 1.00 0.00 H +ATOM 149 HG2 LYS A 8 -4.979 -6.503 -3.190 1.00 0.00 H +ATOM 150 HG3 LYS A 8 -4.495 -7.304 -1.740 1.00 0.00 H +ATOM 151 HD2 LYS A 8 -6.567 -5.079 -1.897 1.00 0.00 H +ATOM 152 HD3 LYS A 8 -6.954 -6.797 -1.840 1.00 0.00 H +ATOM 153 HE2 LYS A 8 -6.136 -6.983 0.386 1.00 0.00 H +ATOM 154 HE3 LYS A 8 -5.303 -5.427 0.313 1.00 0.00 H +ATOM 155 HZ1 LYS A 8 -7.411 -4.352 0.270 1.00 0.00 H +ATOM 156 HZ2 LYS A 8 -8.235 -5.778 0.219 1.00 0.00 H +ATOM 157 HZ3 LYS A 8 -7.387 -5.360 1.567 1.00 0.00 H +ATOM 158 N ASP A 9 -0.586 -5.196 -1.733 1.00 0.00 N +ATOM 159 CA ASP A 9 0.742 -5.596 -2.224 1.00 0.00 C +ATOM 160 C ASP A 9 1.596 -6.294 -1.144 1.00 0.00 C +ATOM 161 O ASP A 9 2.602 -6.919 -1.489 1.00 0.00 O +ATOM 162 CB ASP A 9 1.544 -4.384 -2.750 1.00 0.00 C +ATOM 163 CG ASP A 9 0.978 -3.644 -3.968 1.00 0.00 C +ATOM 164 OD1 ASP A 9 0.247 -4.280 -4.760 1.00 0.00 O +ATOM 165 OD2 ASP A 9 1.381 -2.472 -4.162 1.00 0.00 O +ATOM 166 H ASP A 9 -0.811 -4.209 -1.663 1.00 0.00 H +ATOM 167 HA ASP A 9 0.611 -6.302 -3.046 1.00 0.00 H +ATOM 168 HB2 ASP A 9 1.620 -3.675 -1.948 1.00 0.00 H +ATOM 169 HB3 ASP A 9 2.528 -4.743 -3.048 1.00 0.00 H +ATOM 170 N GLY A 10 1.242 -6.171 0.145 1.00 0.00 N +ATOM 171 CA GLY A 10 2.030 -6.642 1.290 1.00 0.00 C +ATOM 172 C GLY A 10 2.603 -5.520 2.168 1.00 0.00 C +ATOM 173 O GLY A 10 3.419 -5.803 3.047 1.00 0.00 O +ATOM 174 H GLY A 10 0.348 -5.733 0.351 1.00 0.00 H +ATOM 175 HA2 GLY A 10 1.391 -7.260 1.920 1.00 0.00 H +ATOM 176 HA3 GLY A 10 2.859 -7.262 0.950 1.00 0.00 H +ATOM 177 N GLY A 11 2.213 -4.255 1.949 1.00 0.00 N +ATOM 178 CA GLY A 11 2.700 -3.121 2.734 1.00 0.00 C +ATOM 179 C GLY A 11 4.238 -3.008 2.707 1.00 0.00 C +ATOM 180 O GLY A 11 4.830 -3.106 1.626 1.00 0.00 O +ATOM 181 H GLY A 11 1.566 -4.066 1.192 1.00 0.00 H +ATOM 182 HA2 GLY A 11 2.278 -2.203 2.330 1.00 0.00 H +ATOM 183 HA3 GLY A 11 2.340 -3.242 3.755 1.00 0.00 H +ATOM 184 N PRO A 12 4.916 -2.815 3.863 1.00 0.00 N +ATOM 185 CA PRO A 12 6.378 -2.719 3.922 1.00 0.00 C +ATOM 186 C PRO A 12 7.104 -3.938 3.329 1.00 0.00 C +ATOM 187 O PRO A 12 8.203 -3.799 2.793 1.00 0.00 O +ATOM 188 CB PRO A 12 6.739 -2.555 5.405 1.00 0.00 C +ATOM 189 CG PRO A 12 5.447 -2.080 6.062 1.00 0.00 C +ATOM 190 CD PRO A 12 4.360 -2.729 5.208 1.00 0.00 C +ATOM 191 HA PRO A 12 6.689 -1.827 3.377 1.00 0.00 H +ATOM 192 HB2 PRO A 12 7.056 -3.491 5.824 1.00 0.00 H +ATOM 193 HB3 PRO A 12 7.544 -1.832 5.542 1.00 0.00 H +ATOM 194 HG2 PRO A 12 5.388 -2.415 7.080 1.00 0.00 H +ATOM 195 HG3 PRO A 12 5.375 -0.995 5.986 1.00 0.00 H +ATOM 196 HD2 PRO A 12 4.126 -3.708 5.580 1.00 0.00 H +ATOM 197 HD3 PRO A 12 3.453 -2.129 5.244 1.00 0.00 H +ATOM 198 N SER A 13 6.487 -5.126 3.383 1.00 0.00 N +ATOM 199 CA SER A 13 7.062 -6.391 2.910 1.00 0.00 C +ATOM 200 C SER A 13 7.106 -6.523 1.380 1.00 0.00 C +ATOM 201 O SER A 13 7.528 -7.564 0.882 1.00 0.00 O +ATOM 202 CB SER A 13 6.294 -7.570 3.525 1.00 0.00 C +ATOM 203 OG SER A 13 6.273 -7.463 4.938 1.00 0.00 O +ATOM 204 H SER A 13 5.554 -5.180 3.780 1.00 0.00 H +ATOM 205 HA SER A 13 8.093 -6.447 3.259 1.00 0.00 H +ATOM 206 HB2 SER A 13 5.287 -7.567 3.155 1.00 0.00 H +ATOM 207 HB3 SER A 13 6.781 -8.506 3.247 1.00 0.00 H +ATOM 208 HG SER A 13 7.175 -7.487 5.266 1.00 0.00 H +ATOM 209 N SER A 14 6.699 -5.485 0.633 1.00 0.00 N +ATOM 210 CA SER A 14 6.610 -5.482 -0.834 1.00 0.00 C +ATOM 211 C SER A 14 7.584 -4.502 -1.514 1.00 0.00 C +ATOM 212 O SER A 14 7.442 -4.206 -2.702 1.00 0.00 O +ATOM 213 CB SER A 14 5.155 -5.226 -1.232 1.00 0.00 C +ATOM 214 OG SER A 14 4.800 -6.039 -2.327 1.00 0.00 O +ATOM 215 H SER A 14 6.332 -4.681 1.131 1.00 0.00 H +ATOM 216 HA SER A 14 6.872 -6.476 -1.198 1.00 0.00 H +ATOM 217 HB2 SER A 14 4.515 -5.452 -0.401 1.00 0.00 H +ATOM 218 HB3 SER A 14 4.998 -4.181 -1.482 1.00 0.00 H +ATOM 219 HG SER A 14 3.937 -6.470 -2.076 1.00 0.00 H +ATOM 220 N GLY A 15 8.565 -3.977 -0.761 1.00 0.00 N +ATOM 221 CA GLY A 15 9.672 -3.163 -1.282 1.00 0.00 C +ATOM 222 C GLY A 15 9.268 -1.785 -1.820 1.00 0.00 C +ATOM 223 O GLY A 15 9.964 -1.240 -2.674 1.00 0.00 O +ATOM 224 H GLY A 15 8.599 -4.262 0.210 1.00 0.00 H +ATOM 225 HA2 GLY A 15 10.403 -3.009 -0.487 1.00 0.00 H +ATOM 226 HA3 GLY A 15 10.168 -3.709 -2.087 1.00 0.00 H +ATOM 227 N ARG A 16 8.140 -1.233 -1.349 1.00 0.00 N +ATOM 228 CA ARG A 16 7.498 -0.025 -1.884 1.00 0.00 C +ATOM 229 C ARG A 16 6.929 0.860 -0.758 1.00 0.00 C +ATOM 230 O ARG A 16 6.271 0.329 0.139 1.00 0.00 O +ATOM 231 CB ARG A 16 6.407 -0.441 -2.895 1.00 0.00 C +ATOM 232 CG ARG A 16 5.361 -1.404 -2.301 1.00 0.00 C +ATOM 233 CD ARG A 16 4.279 -1.827 -3.291 1.00 0.00 C +ATOM 234 NE ARG A 16 4.779 -2.819 -4.260 1.00 0.00 N +ATOM 235 CZ ARG A 16 4.349 -2.952 -5.509 1.00 0.00 C +ATOM 236 NH1 ARG A 16 3.327 -2.269 -5.969 1.00 0.00 N +ATOM 237 NH2 ARG A 16 4.939 -3.800 -6.319 1.00 0.00 N +ATOM 238 H ARG A 16 7.655 -1.742 -0.622 1.00 0.00 H +ATOM 239 HA ARG A 16 8.255 0.540 -2.429 1.00 0.00 H +ATOM 240 HB2 ARG A 16 5.902 0.443 -3.234 1.00 0.00 H +ATOM 241 HB3 ARG A 16 6.890 -0.927 -3.745 1.00 0.00 H +ATOM 242 HG2 ARG A 16 5.869 -2.285 -1.958 1.00 0.00 H +ATOM 243 HG3 ARG A 16 4.860 -0.926 -1.472 1.00 0.00 H +ATOM 244 HD2 ARG A 16 3.459 -2.256 -2.747 1.00 0.00 H +ATOM 245 HD3 ARG A 16 3.903 -0.939 -3.800 1.00 0.00 H +ATOM 246 HE ARG A 16 5.524 -3.428 -3.947 1.00 0.00 H +ATOM 247 HH11 ARG A 16 2.617 -2.056 -5.244 1.00 0.00 H +ATOM 248 HH12 ARG A 16 3.019 -2.337 -6.918 1.00 0.00 H +ATOM 249 HH21 ARG A 16 5.659 -4.401 -5.958 1.00 0.00 H +ATOM 250 HH22 ARG A 16 4.587 -3.922 -7.250 1.00 0.00 H +ATOM 251 N PRO A 17 7.128 2.192 -0.787 1.00 0.00 N +ATOM 252 CA PRO A 17 6.585 3.097 0.228 1.00 0.00 C +ATOM 253 C PRO A 17 5.060 3.276 0.076 1.00 0.00 C +ATOM 254 O PRO A 17 4.523 3.016 -1.003 1.00 0.00 O +ATOM 255 CB PRO A 17 7.327 4.419 0.005 1.00 0.00 C +ATOM 256 CG PRO A 17 7.594 4.418 -1.499 1.00 0.00 C +ATOM 257 CD PRO A 17 7.848 2.945 -1.807 1.00 0.00 C +ATOM 258 HA PRO A 17 6.811 2.711 1.221 1.00 0.00 H +ATOM 259 HB2 PRO A 17 6.717 5.255 0.287 1.00 0.00 H +ATOM 260 HB3 PRO A 17 8.275 4.397 0.543 1.00 0.00 H +ATOM 261 HG2 PRO A 17 6.743 4.783 -2.041 1.00 0.00 H +ATOM 262 HG3 PRO A 17 8.452 5.039 -1.758 1.00 0.00 H +ATOM 263 HD2 PRO A 17 7.478 2.699 -2.783 1.00 0.00 H +ATOM 264 HD3 PRO A 17 8.915 2.731 -1.732 1.00 0.00 H +ATOM 265 N PRO A 18 4.352 3.730 1.131 1.00 0.00 N +ATOM 266 CA PRO A 18 2.910 3.955 1.082 1.00 0.00 C +ATOM 267 C PRO A 18 2.524 5.163 0.203 1.00 0.00 C +ATOM 268 O PRO A 18 3.330 6.074 0.016 1.00 0.00 O +ATOM 269 CB PRO A 18 2.481 4.156 2.540 1.00 0.00 C +ATOM 270 CG PRO A 18 3.734 4.715 3.207 1.00 0.00 C +ATOM 271 CD PRO A 18 4.864 4.002 2.467 1.00 0.00 C +ATOM 272 HA PRO A 18 2.431 3.060 0.690 1.00 0.00 H +ATOM 273 HB2 PRO A 18 1.667 4.852 2.608 1.00 0.00 H +ATOM 274 HB3 PRO A 18 2.235 3.190 2.981 1.00 0.00 H +ATOM 275 HG2 PRO A 18 3.798 5.778 3.077 1.00 0.00 H +ATOM 276 HG3 PRO A 18 3.753 4.504 4.277 1.00 0.00 H +ATOM 277 HD2 PRO A 18 5.732 4.631 2.414 1.00 0.00 H +ATOM 278 HD3 PRO A 18 5.090 3.058 2.966 1.00 0.00 H +ATOM 279 N PRO A 19 1.275 5.206 -0.306 1.00 0.00 N +ATOM 280 CA PRO A 19 0.771 6.284 -1.164 1.00 0.00 C +ATOM 281 C PRO A 19 0.330 7.537 -0.389 1.00 0.00 C +ATOM 282 O PRO A 19 0.160 8.598 -0.988 1.00 0.00 O +ATOM 283 CB PRO A 19 -0.429 5.664 -1.889 1.00 0.00 C +ATOM 284 CG PRO A 19 -0.979 4.669 -0.864 1.00 0.00 C +ATOM 285 CD PRO A 19 0.284 4.149 -0.189 1.00 0.00 C +ATOM 286 HA PRO A 19 1.528 6.574 -1.894 1.00 0.00 H +ATOM 287 HB2 PRO A 19 -1.160 6.411 -2.131 1.00 0.00 H +ATOM 288 HB3 PRO A 19 -0.083 5.121 -2.771 1.00 0.00 H +ATOM 289 HG2 PRO A 19 -1.622 5.157 -0.157 1.00 0.00 H +ATOM 290 HG3 PRO A 19 -1.531 3.860 -1.339 1.00 0.00 H +ATOM 291 HD2 PRO A 19 0.091 3.933 0.844 1.00 0.00 H +ATOM 292 HD3 PRO A 19 0.650 3.279 -0.729 1.00 0.00 H +ATOM 293 N SER A 20 0.116 7.403 0.925 1.00 0.00 N +ATOM 294 CA SER A 20 -0.336 8.429 1.868 1.00 0.00 C +ATOM 295 C SER A 20 0.288 8.158 3.235 1.00 0.00 C +ATOM 296 O SER A 20 1.091 8.990 3.697 1.00 0.00 O +ATOM 297 CB SER A 20 -1.868 8.401 1.974 1.00 0.00 C +ATOM 298 OG SER A 20 -2.214 7.177 2.590 1.00 0.00 O +ATOM 299 OXT SER A 20 -0.112 7.093 3.776 1.00 0.00 O +ATOM 300 H SER A 20 0.272 6.489 1.323 1.00 0.00 H +ATOM 301 HA SER A 20 -0.007 9.414 1.535 1.00 0.00 H +ATOM 302 HB2 SER A 20 -2.212 9.224 2.570 1.00 0.00 H +ATOM 303 HB3 SER A 20 -2.324 8.479 0.986 1.00 0.00 H +ATOM 304 HG SER A 20 -1.394 7.015 3.184 1.00 0.00 H +TER 305 SER A 20 +ENDMDL +MODEL 28 +ATOM 1 N ASN A 1 -4.637 8.314 0.281 1.00 0.00 N +ATOM 2 CA ASN A 1 -5.414 7.451 -0.654 1.00 0.00 C +ATOM 3 C ASN A 1 -4.552 6.258 -1.103 1.00 0.00 C +ATOM 4 O ASN A 1 -3.410 6.182 -0.671 1.00 0.00 O +ATOM 5 CB ASN A 1 -5.986 8.274 -1.830 1.00 0.00 C +ATOM 6 CG ASN A 1 -7.060 7.510 -2.606 1.00 0.00 C +ATOM 7 OD1 ASN A 1 -7.598 6.525 -2.122 1.00 0.00 O +ATOM 8 ND2 ASN A 1 -7.361 7.888 -3.833 1.00 0.00 N +ATOM 9 H1 ASN A 1 -4.274 7.750 1.038 1.00 0.00 H +ATOM 10 H2 ASN A 1 -3.845 8.730 -0.193 1.00 0.00 H +ATOM 11 H3 ASN A 1 -5.220 9.048 0.659 1.00 0.00 H +ATOM 12 HA ASN A 1 -6.264 7.034 -0.107 1.00 0.00 H +ATOM 13 HB2 ASN A 1 -6.417 9.177 -1.442 1.00 0.00 H +ATOM 14 HB3 ASN A 1 -5.178 8.555 -2.505 1.00 0.00 H +ATOM 15 HD21 ASN A 1 -6.930 8.673 -4.294 1.00 0.00 H +ATOM 16 HD22 ASN A 1 -8.069 7.331 -4.288 1.00 0.00 H +ATOM 17 N LEU A 2 -5.081 5.309 -1.895 1.00 0.00 N +ATOM 18 CA LEU A 2 -4.421 4.095 -2.428 1.00 0.00 C +ATOM 19 C LEU A 2 -3.907 3.086 -1.373 1.00 0.00 C +ATOM 20 O LEU A 2 -3.438 2.004 -1.727 1.00 0.00 O +ATOM 21 CB LEU A 2 -3.323 4.462 -3.461 1.00 0.00 C +ATOM 22 CG LEU A 2 -3.852 4.852 -4.858 1.00 0.00 C +ATOM 23 CD1 LEU A 2 -4.240 6.330 -4.955 1.00 0.00 C +ATOM 24 CD2 LEU A 2 -2.790 4.587 -5.929 1.00 0.00 C +ATOM 25 H LEU A 2 -6.060 5.437 -2.149 1.00 0.00 H +ATOM 26 HA LEU A 2 -5.183 3.538 -2.975 1.00 0.00 H +ATOM 27 HB2 LEU A 2 -2.763 5.291 -3.073 1.00 0.00 H +ATOM 28 HB3 LEU A 2 -2.689 3.583 -3.592 1.00 0.00 H +ATOM 29 HG LEU A 2 -4.724 4.242 -5.093 1.00 0.00 H +ATOM 30 HD11 LEU A 2 -5.010 6.557 -4.229 1.00 0.00 H +ATOM 31 HD12 LEU A 2 -3.370 6.961 -4.774 1.00 0.00 H +ATOM 32 HD13 LEU A 2 -4.633 6.540 -5.950 1.00 0.00 H +ATOM 33 HD21 LEU A 2 -1.903 5.190 -5.739 1.00 0.00 H +ATOM 34 HD22 LEU A 2 -2.517 3.530 -5.926 1.00 0.00 H +ATOM 35 HD23 LEU A 2 -3.189 4.833 -6.912 1.00 0.00 H +ATOM 36 N TYR A 3 -4.044 3.394 -0.080 1.00 0.00 N +ATOM 37 CA TYR A 3 -3.489 2.632 1.037 1.00 0.00 C +ATOM 38 C TYR A 3 -3.961 1.172 1.078 1.00 0.00 C +ATOM 39 O TYR A 3 -3.161 0.277 1.338 1.00 0.00 O +ATOM 40 CB TYR A 3 -3.815 3.362 2.349 1.00 0.00 C +ATOM 41 CG TYR A 3 -2.670 3.331 3.335 1.00 0.00 C +ATOM 42 CD1 TYR A 3 -2.480 2.213 4.167 1.00 0.00 C +ATOM 43 CD2 TYR A 3 -1.776 4.416 3.400 1.00 0.00 C +ATOM 44 CE1 TYR A 3 -1.407 2.188 5.077 1.00 0.00 C +ATOM 45 CE2 TYR A 3 -0.707 4.403 4.312 1.00 0.00 C +ATOM 46 CZ TYR A 3 -0.523 3.285 5.158 1.00 0.00 C +ATOM 47 OH TYR A 3 0.472 3.267 6.085 1.00 0.00 O +ATOM 48 H TYR A 3 -4.369 4.327 0.113 1.00 0.00 H +ATOM 49 HA TYR A 3 -2.405 2.622 0.917 1.00 0.00 H +ATOM 50 HB2 TYR A 3 -4.046 4.385 2.124 1.00 0.00 H +ATOM 51 HB3 TYR A 3 -4.703 2.925 2.808 1.00 0.00 H +ATOM 52 HD1 TYR A 3 -3.164 1.380 4.111 1.00 0.00 H +ATOM 53 HD2 TYR A 3 -1.914 5.270 2.750 1.00 0.00 H +ATOM 54 HE1 TYR A 3 -1.257 1.345 5.732 1.00 0.00 H +ATOM 55 HE2 TYR A 3 -0.031 5.245 4.351 1.00 0.00 H +ATOM 56 HH TYR A 3 0.616 4.135 6.463 1.00 0.00 H +ATOM 57 N ILE A 4 -5.240 0.915 0.764 1.00 0.00 N +ATOM 58 CA ILE A 4 -5.800 -0.440 0.662 1.00 0.00 C +ATOM 59 C ILE A 4 -5.054 -1.256 -0.409 1.00 0.00 C +ATOM 60 O ILE A 4 -4.725 -2.421 -0.194 1.00 0.00 O +ATOM 61 CB ILE A 4 -7.321 -0.381 0.365 1.00 0.00 C +ATOM 62 CG1 ILE A 4 -8.099 0.508 1.368 1.00 0.00 C +ATOM 63 CG2 ILE A 4 -7.932 -1.793 0.371 1.00 0.00 C +ATOM 64 CD1 ILE A 4 -8.620 1.792 0.710 1.00 0.00 C +ATOM 65 H ILE A 4 -5.837 1.705 0.575 1.00 0.00 H +ATOM 66 HA ILE A 4 -5.656 -0.946 1.618 1.00 0.00 H +ATOM 67 HB ILE A 4 -7.455 0.022 -0.641 1.00 0.00 H +ATOM 68 HG12 ILE A 4 -8.933 -0.049 1.751 1.00 0.00 H +ATOM 69 HG13 ILE A 4 -7.469 0.772 2.219 1.00 0.00 H +ATOM 70 HG21 ILE A 4 -7.495 -2.396 -0.421 1.00 0.00 H +ATOM 71 HG22 ILE A 4 -7.751 -2.278 1.331 1.00 0.00 H +ATOM 72 HG23 ILE A 4 -9.007 -1.735 0.196 1.00 0.00 H +ATOM 73 HD11 ILE A 4 -7.790 2.390 0.335 1.00 0.00 H +ATOM 74 HD12 ILE A 4 -9.288 1.538 -0.114 1.00 0.00 H +ATOM 75 HD13 ILE A 4 -9.178 2.375 1.445 1.00 0.00 H +ATOM 76 N GLN A 5 -4.758 -0.632 -1.557 1.00 0.00 N +ATOM 77 CA GLN A 5 -4.009 -1.246 -2.650 1.00 0.00 C +ATOM 78 C GLN A 5 -2.556 -1.532 -2.257 1.00 0.00 C +ATOM 79 O GLN A 5 -2.056 -2.621 -2.522 1.00 0.00 O +ATOM 80 CB GLN A 5 -4.126 -0.385 -3.921 1.00 0.00 C +ATOM 81 CG GLN A 5 -4.525 -1.255 -5.121 1.00 0.00 C +ATOM 82 CD GLN A 5 -4.816 -0.407 -6.354 1.00 0.00 C +ATOM 83 OE1 GLN A 5 -5.867 0.201 -6.470 1.00 0.00 O +ATOM 84 NE2 GLN A 5 -3.916 -0.347 -7.314 1.00 0.00 N +ATOM 85 H GLN A 5 -4.955 0.358 -1.625 1.00 0.00 H +ATOM 86 HA GLN A 5 -4.460 -2.209 -2.849 1.00 0.00 H +ATOM 87 HB2 GLN A 5 -4.872 0.371 -3.769 1.00 0.00 H +ATOM 88 HB3 GLN A 5 -3.180 0.117 -4.130 1.00 0.00 H +ATOM 89 HG2 GLN A 5 -3.722 -1.931 -5.344 1.00 0.00 H +ATOM 90 HG3 GLN A 5 -5.434 -1.805 -4.876 1.00 0.00 H +ATOM 91 HE21 GLN A 5 -3.043 -0.844 -7.271 1.00 0.00 H +ATOM 92 HE22 GLN A 5 -4.190 0.218 -8.099 1.00 0.00 H +ATOM 93 N TRP A 6 -1.905 -0.591 -1.563 1.00 0.00 N +ATOM 94 CA TRP A 6 -0.573 -0.794 -0.989 1.00 0.00 C +ATOM 95 C TRP A 6 -0.539 -1.937 0.047 1.00 0.00 C +ATOM 96 O TRP A 6 0.365 -2.772 0.016 1.00 0.00 O +ATOM 97 CB TRP A 6 -0.090 0.537 -0.404 1.00 0.00 C +ATOM 98 CG TRP A 6 1.273 0.496 0.209 1.00 0.00 C +ATOM 99 CD1 TRP A 6 2.441 0.483 -0.473 1.00 0.00 C +ATOM 100 CD2 TRP A 6 1.630 0.425 1.623 1.00 0.00 C +ATOM 101 NE1 TRP A 6 3.492 0.396 0.418 1.00 0.00 N +ATOM 102 CE2 TRP A 6 3.053 0.371 1.722 1.00 0.00 C +ATOM 103 CE3 TRP A 6 0.899 0.398 2.830 1.00 0.00 C +ATOM 104 CZ2 TRP A 6 3.719 0.302 2.954 1.00 0.00 C +ATOM 105 CZ3 TRP A 6 1.557 0.314 4.072 1.00 0.00 C +ATOM 106 CH2 TRP A 6 2.961 0.267 4.137 1.00 0.00 C +ATOM 107 H TRP A 6 -2.385 0.292 -1.412 1.00 0.00 H +ATOM 108 HA TRP A 6 0.108 -1.080 -1.790 1.00 0.00 H +ATOM 109 HB2 TRP A 6 -0.079 1.264 -1.193 1.00 0.00 H +ATOM 110 HB3 TRP A 6 -0.793 0.874 0.356 1.00 0.00 H +ATOM 111 HD1 TRP A 6 2.536 0.516 -1.550 1.00 0.00 H +ATOM 112 HE1 TRP A 6 4.475 0.350 0.133 1.00 0.00 H +ATOM 113 HE3 TRP A 6 -0.179 0.447 2.791 1.00 0.00 H +ATOM 114 HZ2 TRP A 6 4.797 0.257 2.979 1.00 0.00 H +ATOM 115 HZ3 TRP A 6 0.979 0.296 4.987 1.00 0.00 H +ATOM 116 HH2 TRP A 6 3.455 0.210 5.097 1.00 0.00 H +ATOM 117 N LEU A 7 -1.539 -2.023 0.936 1.00 0.00 N +ATOM 118 CA LEU A 7 -1.647 -3.114 1.911 1.00 0.00 C +ATOM 119 C LEU A 7 -1.880 -4.491 1.263 1.00 0.00 C +ATOM 120 O LEU A 7 -1.299 -5.464 1.739 1.00 0.00 O +ATOM 121 CB LEU A 7 -2.744 -2.801 2.945 1.00 0.00 C +ATOM 122 CG LEU A 7 -2.387 -1.679 3.942 1.00 0.00 C +ATOM 123 CD1 LEU A 7 -3.618 -1.346 4.787 1.00 0.00 C +ATOM 124 CD2 LEU A 7 -1.248 -2.065 4.893 1.00 0.00 C +ATOM 125 H LEU A 7 -2.229 -1.275 0.955 1.00 0.00 H +ATOM 126 HA LEU A 7 -0.693 -3.194 2.432 1.00 0.00 H +ATOM 127 HB2 LEU A 7 -3.630 -2.508 2.415 1.00 0.00 H +ATOM 128 HB3 LEU A 7 -2.953 -3.706 3.517 1.00 0.00 H +ATOM 129 HG LEU A 7 -2.088 -0.784 3.401 1.00 0.00 H +ATOM 130 HD11 LEU A 7 -4.425 -0.996 4.140 1.00 0.00 H +ATOM 131 HD12 LEU A 7 -3.951 -2.230 5.330 1.00 0.00 H +ATOM 132 HD13 LEU A 7 -3.378 -0.561 5.504 1.00 0.00 H +ATOM 133 HD21 LEU A 7 -1.499 -2.980 5.429 1.00 0.00 H +ATOM 134 HD22 LEU A 7 -0.325 -2.214 4.336 1.00 0.00 H +ATOM 135 HD23 LEU A 7 -1.082 -1.265 5.612 1.00 0.00 H +ATOM 136 N LYS A 8 -2.664 -4.593 0.174 1.00 0.00 N +ATOM 137 CA LYS A 8 -2.892 -5.859 -0.562 1.00 0.00 C +ATOM 138 C LYS A 8 -1.591 -6.528 -1.022 1.00 0.00 C +ATOM 139 O LYS A 8 -1.477 -7.746 -0.936 1.00 0.00 O +ATOM 140 CB LYS A 8 -3.818 -5.628 -1.769 1.00 0.00 C +ATOM 141 CG LYS A 8 -5.295 -5.486 -1.357 1.00 0.00 C +ATOM 142 CD LYS A 8 -6.116 -4.646 -2.351 1.00 0.00 C +ATOM 143 CE LYS A 8 -6.882 -5.452 -3.401 1.00 0.00 C +ATOM 144 NZ LYS A 8 -7.477 -4.544 -4.411 1.00 0.00 N +ATOM 145 H LYS A 8 -3.145 -3.750 -0.132 1.00 0.00 H +ATOM 146 HA LYS A 8 -3.367 -6.574 0.111 1.00 0.00 H +ATOM 147 HB2 LYS A 8 -3.512 -4.730 -2.271 1.00 0.00 H +ATOM 148 HB3 LYS A 8 -3.736 -6.467 -2.462 1.00 0.00 H +ATOM 149 HG2 LYS A 8 -5.729 -6.465 -1.296 1.00 0.00 H +ATOM 150 HG3 LYS A 8 -5.344 -4.993 -0.387 1.00 0.00 H +ATOM 151 HD2 LYS A 8 -6.826 -4.068 -1.791 1.00 0.00 H +ATOM 152 HD3 LYS A 8 -5.454 -3.961 -2.867 1.00 0.00 H +ATOM 153 HE2 LYS A 8 -6.208 -6.131 -3.888 1.00 0.00 H +ATOM 154 HE3 LYS A 8 -7.667 -6.022 -2.896 1.00 0.00 H +ATOM 155 HZ1 LYS A 8 -8.054 -3.846 -3.961 1.00 0.00 H +ATOM 156 HZ2 LYS A 8 -6.746 -4.071 -4.926 1.00 0.00 H +ATOM 157 HZ3 LYS A 8 -8.047 -5.062 -5.068 1.00 0.00 H +ATOM 158 N ASP A 9 -0.606 -5.739 -1.457 1.00 0.00 N +ATOM 159 CA ASP A 9 0.739 -6.198 -1.825 1.00 0.00 C +ATOM 160 C ASP A 9 1.651 -6.499 -0.611 1.00 0.00 C +ATOM 161 O ASP A 9 2.838 -6.780 -0.797 1.00 0.00 O +ATOM 162 CB ASP A 9 1.370 -5.155 -2.771 1.00 0.00 C +ATOM 163 CG ASP A 9 1.177 -5.531 -4.240 1.00 0.00 C +ATOM 164 OD1 ASP A 9 0.135 -5.136 -4.811 1.00 0.00 O +ATOM 165 OD2 ASP A 9 2.077 -6.215 -4.775 1.00 0.00 O +ATOM 166 H ASP A 9 -0.801 -4.748 -1.533 1.00 0.00 H +ATOM 167 HA ASP A 9 0.652 -7.136 -2.376 1.00 0.00 H +ATOM 168 HB2 ASP A 9 0.911 -4.202 -2.593 1.00 0.00 H +ATOM 169 HB3 ASP A 9 2.441 -5.088 -2.597 1.00 0.00 H +ATOM 170 N GLY A 10 1.167 -6.398 0.637 1.00 0.00 N +ATOM 171 CA GLY A 10 1.944 -6.694 1.851 1.00 0.00 C +ATOM 172 C GLY A 10 2.520 -5.474 2.584 1.00 0.00 C +ATOM 173 O GLY A 10 3.356 -5.650 3.475 1.00 0.00 O +ATOM 174 H GLY A 10 0.189 -6.147 0.762 1.00 0.00 H +ATOM 175 HA2 GLY A 10 1.294 -7.220 2.549 1.00 0.00 H +ATOM 176 HA3 GLY A 10 2.770 -7.362 1.607 1.00 0.00 H +ATOM 177 N GLY A 11 2.100 -4.254 2.229 1.00 0.00 N +ATOM 178 CA GLY A 11 2.528 -2.992 2.832 1.00 0.00 C +ATOM 179 C GLY A 11 4.060 -2.837 2.922 1.00 0.00 C +ATOM 180 O GLY A 11 4.712 -2.686 1.888 1.00 0.00 O +ATOM 181 H GLY A 11 1.508 -4.184 1.407 1.00 0.00 H +ATOM 182 HA2 GLY A 11 2.150 -2.182 2.211 1.00 0.00 H +ATOM 183 HA3 GLY A 11 2.067 -2.896 3.812 1.00 0.00 H +ATOM 184 N PRO A 12 4.678 -2.872 4.125 1.00 0.00 N +ATOM 185 CA PRO A 12 6.137 -2.792 4.262 1.00 0.00 C +ATOM 186 C PRO A 12 6.903 -3.861 3.466 1.00 0.00 C +ATOM 187 O PRO A 12 8.043 -3.629 3.069 1.00 0.00 O +ATOM 188 CB PRO A 12 6.429 -2.936 5.761 1.00 0.00 C +ATOM 189 CG PRO A 12 5.120 -2.531 6.433 1.00 0.00 C +ATOM 190 CD PRO A 12 4.058 -2.991 5.436 1.00 0.00 C +ATOM 191 HA PRO A 12 6.463 -1.808 3.926 1.00 0.00 H +ATOM 192 HB2 PRO A 12 6.685 -3.949 6.004 1.00 0.00 H +ATOM 193 HB3 PRO A 12 7.254 -2.292 6.069 1.00 0.00 H +ATOM 194 HG2 PRO A 12 5.002 -3.028 7.377 1.00 0.00 H +ATOM 195 HG3 PRO A 12 5.080 -1.447 6.534 1.00 0.00 H +ATOM 196 HD2 PRO A 12 3.779 -4.009 5.628 1.00 0.00 H +ATOM 197 HD3 PRO A 12 3.172 -2.363 5.530 1.00 0.00 H +ATOM 198 N SER A 13 6.278 -5.017 3.209 1.00 0.00 N +ATOM 199 CA SER A 13 6.884 -6.142 2.489 1.00 0.00 C +ATOM 200 C SER A 13 6.737 -6.043 0.960 1.00 0.00 C +ATOM 201 O SER A 13 7.147 -6.960 0.254 1.00 0.00 O +ATOM 202 CB SER A 13 6.306 -7.461 3.021 1.00 0.00 C +ATOM 203 OG SER A 13 6.621 -7.599 4.395 1.00 0.00 O +ATOM 204 H SER A 13 5.320 -5.131 3.531 1.00 0.00 H +ATOM 205 HA SER A 13 7.953 -6.155 2.698 1.00 0.00 H +ATOM 206 HB2 SER A 13 5.240 -7.459 2.898 1.00 0.00 H +ATOM 207 HB3 SER A 13 6.742 -8.301 2.479 1.00 0.00 H +ATOM 208 HG SER A 13 5.808 -7.714 4.892 1.00 0.00 H +ATOM 209 N SER A 14 6.176 -4.942 0.434 1.00 0.00 N +ATOM 210 CA SER A 14 5.884 -4.748 -0.996 1.00 0.00 C +ATOM 211 C SER A 14 7.004 -4.076 -1.802 1.00 0.00 C +ATOM 212 O SER A 14 6.860 -3.890 -3.006 1.00 0.00 O +ATOM 213 CB SER A 14 4.636 -3.874 -1.140 1.00 0.00 C +ATOM 214 OG SER A 14 3.598 -4.383 -0.343 1.00 0.00 O +ATOM 215 H SER A 14 5.795 -4.245 1.069 1.00 0.00 H +ATOM 216 HA SER A 14 5.675 -5.716 -1.456 1.00 0.00 H +ATOM 217 HB2 SER A 14 4.865 -2.873 -0.828 1.00 0.00 H +ATOM 218 HB3 SER A 14 4.320 -3.854 -2.182 1.00 0.00 H +ATOM 219 HG SER A 14 3.437 -5.331 -0.578 1.00 0.00 H +ATOM 220 N GLY A 15 8.091 -3.636 -1.156 1.00 0.00 N +ATOM 221 CA GLY A 15 9.222 -2.961 -1.807 1.00 0.00 C +ATOM 222 C GLY A 15 8.979 -1.499 -2.225 1.00 0.00 C +ATOM 223 O GLY A 15 9.937 -0.811 -2.570 1.00 0.00 O +ATOM 224 H GLY A 15 8.136 -3.819 -0.163 1.00 0.00 H +ATOM 225 HA2 GLY A 15 10.080 -2.981 -1.136 1.00 0.00 H +ATOM 226 HA3 GLY A 15 9.494 -3.517 -2.706 1.00 0.00 H +ATOM 227 N ARG A 16 7.733 -1.005 -2.166 1.00 0.00 N +ATOM 228 CA ARG A 16 7.340 0.378 -2.469 1.00 0.00 C +ATOM 229 C ARG A 16 6.864 1.090 -1.189 1.00 0.00 C +ATOM 230 O ARG A 16 6.138 0.469 -0.408 1.00 0.00 O +ATOM 231 CB ARG A 16 6.242 0.351 -3.552 1.00 0.00 C +ATOM 232 CG ARG A 16 5.909 1.749 -4.102 1.00 0.00 C +ATOM 233 CD ARG A 16 4.828 1.696 -5.186 1.00 0.00 C +ATOM 234 NE ARG A 16 4.677 3.011 -5.838 1.00 0.00 N +ATOM 235 CZ ARG A 16 4.080 3.264 -6.997 1.00 0.00 C +ATOM 236 NH1 ARG A 16 3.453 2.326 -7.670 1.00 0.00 N +ATOM 237 NH2 ARG A 16 4.108 4.474 -7.504 1.00 0.00 N +ATOM 238 H ARG A 16 7.011 -1.654 -1.889 1.00 0.00 H +ATOM 239 HA ARG A 16 8.211 0.896 -2.870 1.00 0.00 H +ATOM 240 HB2 ARG A 16 6.577 -0.266 -4.364 1.00 0.00 H +ATOM 241 HB3 ARG A 16 5.337 -0.100 -3.141 1.00 0.00 H +ATOM 242 HG2 ARG A 16 5.561 2.365 -3.295 1.00 0.00 H +ATOM 243 HG3 ARG A 16 6.814 2.176 -4.534 1.00 0.00 H +ATOM 244 HD2 ARG A 16 5.104 0.967 -5.923 1.00 0.00 H +ATOM 245 HD3 ARG A 16 3.881 1.398 -4.732 1.00 0.00 H +ATOM 246 HE ARG A 16 5.099 3.795 -5.368 1.00 0.00 H +ATOM 247 HH11 ARG A 16 3.423 1.404 -7.274 1.00 0.00 H +ATOM 248 HH12 ARG A 16 3.006 2.520 -8.548 1.00 0.00 H +ATOM 249 HH21 ARG A 16 4.586 5.218 -7.026 1.00 0.00 H +ATOM 250 HH22 ARG A 16 3.669 4.656 -8.390 1.00 0.00 H +ATOM 251 N PRO A 17 7.209 2.375 -0.963 1.00 0.00 N +ATOM 252 CA PRO A 17 6.738 3.134 0.201 1.00 0.00 C +ATOM 253 C PRO A 17 5.208 3.346 0.203 1.00 0.00 C +ATOM 254 O PRO A 17 4.576 3.259 -0.855 1.00 0.00 O +ATOM 255 CB PRO A 17 7.490 4.471 0.149 1.00 0.00 C +ATOM 256 CG PRO A 17 7.846 4.634 -1.326 1.00 0.00 C +ATOM 257 CD PRO A 17 8.110 3.196 -1.761 1.00 0.00 C +ATOM 258 HA PRO A 17 7.021 2.596 1.106 1.00 0.00 H +ATOM 259 HB2 PRO A 17 6.862 5.275 0.482 1.00 0.00 H +ATOM 260 HB3 PRO A 17 8.407 4.394 0.736 1.00 0.00 H +ATOM 261 HG2 PRO A 17 7.031 5.063 -1.877 1.00 0.00 H +ATOM 262 HG3 PRO A 17 8.720 5.268 -1.469 1.00 0.00 H +ATOM 263 HD2 PRO A 17 7.900 3.076 -2.806 1.00 0.00 H +ATOM 264 HD3 PRO A 17 9.141 2.925 -1.531 1.00 0.00 H +ATOM 265 N PRO A 18 4.607 3.648 1.372 1.00 0.00 N +ATOM 266 CA PRO A 18 3.168 3.868 1.495 1.00 0.00 C +ATOM 267 C PRO A 18 2.728 5.176 0.813 1.00 0.00 C +ATOM 268 O PRO A 18 3.421 6.189 0.932 1.00 0.00 O +ATOM 269 CB PRO A 18 2.880 3.905 2.999 1.00 0.00 C +ATOM 270 CG PRO A 18 4.202 4.357 3.615 1.00 0.00 C +ATOM 271 CD PRO A 18 5.252 3.767 2.674 1.00 0.00 C +ATOM 272 HA PRO A 18 2.650 3.021 1.056 1.00 0.00 H +ATOM 273 HB2 PRO A 18 2.097 4.604 3.221 1.00 0.00 H +ATOM 274 HB3 PRO A 18 2.640 2.905 3.351 1.00 0.00 H +ATOM 275 HG2 PRO A 18 4.268 5.428 3.640 1.00 0.00 H +ATOM 276 HG3 PRO A 18 4.322 3.987 4.633 1.00 0.00 H +ATOM 277 HD2 PRO A 18 6.103 4.418 2.610 1.00 0.00 H +ATOM 278 HD3 PRO A 18 5.544 2.776 3.024 1.00 0.00 H +ATOM 279 N PRO A 19 1.566 5.189 0.135 1.00 0.00 N +ATOM 280 CA PRO A 19 0.986 6.406 -0.419 1.00 0.00 C +ATOM 281 C PRO A 19 0.340 7.243 0.694 1.00 0.00 C +ATOM 282 O PRO A 19 -0.310 6.698 1.588 1.00 0.00 O +ATOM 283 CB PRO A 19 -0.045 5.908 -1.435 1.00 0.00 C +ATOM 284 CG PRO A 19 -0.542 4.596 -0.823 1.00 0.00 C +ATOM 285 CD PRO A 19 0.688 4.050 -0.100 1.00 0.00 C +ATOM 286 HA PRO A 19 1.751 6.996 -0.927 1.00 0.00 H +ATOM 287 HB2 PRO A 19 -0.849 6.611 -1.542 1.00 0.00 H +ATOM 288 HB3 PRO A 19 0.455 5.698 -2.382 1.00 0.00 H +ATOM 289 HG2 PRO A 19 -1.344 4.774 -0.133 1.00 0.00 H +ATOM 290 HG3 PRO A 19 -0.898 3.904 -1.584 1.00 0.00 H +ATOM 291 HD2 PRO A 19 0.402 3.603 0.833 1.00 0.00 H +ATOM 292 HD3 PRO A 19 1.199 3.327 -0.734 1.00 0.00 H +ATOM 293 N SER A 20 0.480 8.571 0.624 1.00 0.00 N +ATOM 294 CA SER A 20 -0.125 9.511 1.572 1.00 0.00 C +ATOM 295 C SER A 20 -0.770 10.671 0.820 1.00 0.00 C +ATOM 296 O SER A 20 -2.016 10.756 0.905 1.00 0.00 O +ATOM 297 CB SER A 20 0.919 9.961 2.597 1.00 0.00 C +ATOM 298 OG SER A 20 0.248 10.488 3.720 1.00 0.00 O +ATOM 299 OXT SER A 20 -0.011 11.405 0.152 1.00 0.00 O +ATOM 300 H SER A 20 1.013 8.983 -0.129 1.00 0.00 H +ATOM 301 HA SER A 20 -0.928 9.009 2.110 1.00 0.00 H +ATOM 302 HB2 SER A 20 1.519 9.122 2.895 1.00 0.00 H +ATOM 303 HB3 SER A 20 1.582 10.712 2.159 1.00 0.00 H +ATOM 304 HG SER A 20 -0.420 11.104 3.405 1.00 0.00 H +TER 305 SER A 20 +ENDMDL +MODEL 29 +ATOM 1 N ASN A 1 -8.605 5.735 -1.508 1.00 0.00 N +ATOM 2 CA ASN A 1 -7.571 6.051 -0.495 1.00 0.00 C +ATOM 3 C ASN A 1 -6.164 5.538 -0.832 1.00 0.00 C +ATOM 4 O ASN A 1 -5.240 5.940 -0.139 1.00 0.00 O +ATOM 5 CB ASN A 1 -8.006 5.614 0.920 1.00 0.00 C +ATOM 6 CG ASN A 1 -8.446 6.833 1.721 1.00 0.00 C +ATOM 7 OD1 ASN A 1 -7.636 7.667 2.079 1.00 0.00 O +ATOM 8 ND2 ASN A 1 -9.727 7.012 1.978 1.00 0.00 N +ATOM 9 H1 ASN A 1 -8.317 6.060 -2.422 1.00 0.00 H +ATOM 10 H2 ASN A 1 -8.771 4.738 -1.536 1.00 0.00 H +ATOM 11 H3 ASN A 1 -9.471 6.197 -1.263 1.00 0.00 H +ATOM 12 HA ASN A 1 -7.456 7.138 -0.461 1.00 0.00 H +ATOM 13 HB2 ASN A 1 -8.823 4.923 0.844 1.00 0.00 H +ATOM 14 HB3 ASN A 1 -7.168 5.160 1.453 1.00 0.00 H +ATOM 15 HD21 ASN A 1 -10.461 6.361 1.754 1.00 0.00 H +ATOM 16 HD22 ASN A 1 -9.905 7.847 2.515 1.00 0.00 H +ATOM 17 N LEU A 2 -5.966 4.679 -1.852 1.00 0.00 N +ATOM 18 CA LEU A 2 -4.666 4.117 -2.283 1.00 0.00 C +ATOM 19 C LEU A 2 -4.002 3.168 -1.262 1.00 0.00 C +ATOM 20 O LEU A 2 -3.524 2.099 -1.642 1.00 0.00 O +ATOM 21 CB LEU A 2 -3.717 5.253 -2.748 1.00 0.00 C +ATOM 22 CG LEU A 2 -3.317 5.246 -4.235 1.00 0.00 C +ATOM 23 CD1 LEU A 2 -2.553 3.980 -4.653 1.00 0.00 C +ATOM 24 CD2 LEU A 2 -4.536 5.478 -5.132 1.00 0.00 C +ATOM 25 H LEU A 2 -6.737 4.358 -2.414 1.00 0.00 H +ATOM 26 HA LEU A 2 -4.871 3.489 -3.150 1.00 0.00 H +ATOM 27 HB2 LEU A 2 -4.203 6.188 -2.545 1.00 0.00 H +ATOM 28 HB3 LEU A 2 -2.806 5.212 -2.162 1.00 0.00 H +ATOM 29 HG LEU A 2 -2.646 6.094 -4.387 1.00 0.00 H +ATOM 30 HD11 LEU A 2 -1.523 4.249 -4.893 1.00 0.00 H +ATOM 31 HD12 LEU A 2 -2.534 3.243 -3.853 1.00 0.00 H +ATOM 32 HD13 LEU A 2 -3.005 3.530 -5.537 1.00 0.00 H +ATOM 33 HD21 LEU A 2 -5.218 4.631 -5.088 1.00 0.00 H +ATOM 34 HD22 LEU A 2 -5.054 6.385 -4.819 1.00 0.00 H +ATOM 35 HD23 LEU A 2 -4.203 5.612 -6.162 1.00 0.00 H +ATOM 36 N TYR A 3 -4.025 3.502 0.030 1.00 0.00 N +ATOM 37 CA TYR A 3 -3.458 2.724 1.133 1.00 0.00 C +ATOM 38 C TYR A 3 -3.964 1.270 1.170 1.00 0.00 C +ATOM 39 O TYR A 3 -3.186 0.358 1.441 1.00 0.00 O +ATOM 40 CB TYR A 3 -3.738 3.456 2.457 1.00 0.00 C +ATOM 41 CG TYR A 3 -2.570 3.419 3.420 1.00 0.00 C +ATOM 42 CD1 TYR A 3 -2.245 2.219 4.078 1.00 0.00 C +ATOM 43 CD2 TYR A 3 -1.797 4.577 3.646 1.00 0.00 C +ATOM 44 CE1 TYR A 3 -1.149 2.170 4.960 1.00 0.00 C +ATOM 45 CE2 TYR A 3 -0.713 4.539 4.544 1.00 0.00 C +ATOM 46 CZ TYR A 3 -0.388 3.333 5.204 1.00 0.00 C +ATOM 47 OH TYR A 3 0.627 3.280 6.107 1.00 0.00 O +ATOM 48 H TYR A 3 -4.367 4.438 0.237 1.00 0.00 H +ATOM 49 HA TYR A 3 -2.377 2.691 0.989 1.00 0.00 H +ATOM 50 HB2 TYR A 3 -3.966 4.481 2.238 1.00 0.00 H +ATOM 51 HB3 TYR A 3 -4.614 3.021 2.941 1.00 0.00 H +ATOM 52 HD1 TYR A 3 -2.836 1.333 3.908 1.00 0.00 H +ATOM 53 HD2 TYR A 3 -2.032 5.503 3.135 1.00 0.00 H +ATOM 54 HE1 TYR A 3 -0.891 1.259 5.474 1.00 0.00 H +ATOM 55 HE2 TYR A 3 -0.128 5.433 4.713 1.00 0.00 H +ATOM 56 HH TYR A 3 0.617 4.042 6.689 1.00 0.00 H +ATOM 57 N ILE A 4 -5.244 1.037 0.838 1.00 0.00 N +ATOM 58 CA ILE A 4 -5.834 -0.306 0.713 1.00 0.00 C +ATOM 59 C ILE A 4 -5.105 -1.123 -0.367 1.00 0.00 C +ATOM 60 O ILE A 4 -4.724 -2.268 -0.130 1.00 0.00 O +ATOM 61 CB ILE A 4 -7.352 -0.235 0.407 1.00 0.00 C +ATOM 62 CG1 ILE A 4 -8.137 0.689 1.373 1.00 0.00 C +ATOM 63 CG2 ILE A 4 -7.972 -1.643 0.457 1.00 0.00 C +ATOM 64 CD1 ILE A 4 -8.547 2.007 0.707 1.00 0.00 C +ATOM 65 H ILE A 4 -5.819 1.844 0.651 1.00 0.00 H +ATOM 66 HA ILE A 4 -5.700 -0.825 1.663 1.00 0.00 H +ATOM 67 HB ILE A 4 -7.482 0.137 -0.611 1.00 0.00 H +ATOM 68 HG12 ILE A 4 -9.022 0.177 1.699 1.00 0.00 H +ATOM 69 HG13 ILE A 4 -7.548 0.901 2.265 1.00 0.00 H +ATOM 70 HG21 ILE A 4 -7.504 -2.298 -0.279 1.00 0.00 H +ATOM 71 HG22 ILE A 4 -7.845 -2.074 1.451 1.00 0.00 H +ATOM 72 HG23 ILE A 4 -9.037 -1.590 0.226 1.00 0.00 H +ATOM 73 HD11 ILE A 4 -7.664 2.587 0.439 1.00 0.00 H +ATOM 74 HD12 ILE A 4 -9.134 1.802 -0.191 1.00 0.00 H +ATOM 75 HD13 ILE A 4 -9.164 2.579 1.400 1.00 0.00 H +ATOM 76 N GLN A 5 -4.897 -0.530 -1.550 1.00 0.00 N +ATOM 77 CA GLN A 5 -4.198 -1.155 -2.673 1.00 0.00 C +ATOM 78 C GLN A 5 -2.723 -1.419 -2.333 1.00 0.00 C +ATOM 79 O GLN A 5 -2.200 -2.473 -2.684 1.00 0.00 O +ATOM 80 CB GLN A 5 -4.336 -0.262 -3.917 1.00 0.00 C +ATOM 81 CG GLN A 5 -3.914 -0.964 -5.221 1.00 0.00 C +ATOM 82 CD GLN A 5 -5.086 -1.137 -6.184 1.00 0.00 C +ATOM 83 OE1 GLN A 5 -5.679 -0.180 -6.653 1.00 0.00 O +ATOM 84 NE2 GLN A 5 -5.471 -2.356 -6.511 1.00 0.00 N +ATOM 85 H GLN A 5 -5.132 0.448 -1.635 1.00 0.00 H +ATOM 86 HA GLN A 5 -4.672 -2.115 -2.879 1.00 0.00 H +ATOM 87 HB2 GLN A 5 -5.362 0.038 -4.009 1.00 0.00 H +ATOM 88 HB3 GLN A 5 -3.724 0.632 -3.790 1.00 0.00 H +ATOM 89 HG2 GLN A 5 -3.155 -0.376 -5.701 1.00 0.00 H +ATOM 90 HG3 GLN A 5 -3.469 -1.937 -5.010 1.00 0.00 H +ATOM 91 HE21 GLN A 5 -4.984 -3.177 -6.199 1.00 0.00 H +ATOM 92 HE22 GLN A 5 -6.221 -2.372 -7.181 1.00 0.00 H +ATOM 93 N TRP A 6 -2.071 -0.497 -1.615 1.00 0.00 N +ATOM 94 CA TRP A 6 -0.715 -0.699 -1.098 1.00 0.00 C +ATOM 95 C TRP A 6 -0.639 -1.865 -0.097 1.00 0.00 C +ATOM 96 O TRP A 6 0.196 -2.757 -0.250 1.00 0.00 O +ATOM 97 CB TRP A 6 -0.203 0.608 -0.484 1.00 0.00 C +ATOM 98 CG TRP A 6 1.201 0.530 0.024 1.00 0.00 C +ATOM 99 CD1 TRP A 6 2.311 0.523 -0.750 1.00 0.00 C +ATOM 100 CD2 TRP A 6 1.672 0.404 1.403 1.00 0.00 C +ATOM 101 NE1 TRP A 6 3.428 0.392 0.050 1.00 0.00 N +ATOM 102 CE2 TRP A 6 3.094 0.319 1.381 1.00 0.00 C +ATOM 103 CE3 TRP A 6 1.048 0.358 2.668 1.00 0.00 C +ATOM 104 CZ2 TRP A 6 3.864 0.210 2.546 1.00 0.00 C +ATOM 105 CZ3 TRP A 6 1.810 0.242 3.848 1.00 0.00 C +ATOM 106 CH2 TRP A 6 3.214 0.174 3.791 1.00 0.00 C +ATOM 107 H TRP A 6 -2.559 0.372 -1.412 1.00 0.00 H +ATOM 108 HA TRP A 6 -0.064 -0.958 -1.933 1.00 0.00 H +ATOM 109 HB2 TRP A 6 -0.249 1.374 -1.234 1.00 0.00 H +ATOM 110 HB3 TRP A 6 -0.852 0.901 0.340 1.00 0.00 H +ATOM 111 HD1 TRP A 6 2.315 0.589 -1.829 1.00 0.00 H +ATOM 112 HE1 TRP A 6 4.395 0.361 -0.282 1.00 0.00 H +ATOM 113 HE3 TRP A 6 -0.028 0.427 2.725 1.00 0.00 H +ATOM 114 HZ2 TRP A 6 4.940 0.156 2.473 1.00 0.00 H +ATOM 115 HZ3 TRP A 6 1.316 0.221 4.810 1.00 0.00 H +ATOM 116 HH2 TRP A 6 3.792 0.099 4.701 1.00 0.00 H +ATOM 117 N LEU A 7 -1.536 -1.900 0.899 1.00 0.00 N +ATOM 118 CA LEU A 7 -1.617 -3.007 1.855 1.00 0.00 C +ATOM 119 C LEU A 7 -1.901 -4.357 1.181 1.00 0.00 C +ATOM 120 O LEU A 7 -1.360 -5.362 1.635 1.00 0.00 O +ATOM 121 CB LEU A 7 -2.675 -2.710 2.932 1.00 0.00 C +ATOM 122 CG LEU A 7 -2.221 -1.687 3.991 1.00 0.00 C +ATOM 123 CD1 LEU A 7 -3.385 -1.386 4.937 1.00 0.00 C +ATOM 124 CD2 LEU A 7 -1.031 -2.194 4.815 1.00 0.00 C +ATOM 125 H LEU A 7 -2.191 -1.126 0.991 1.00 0.00 H +ATOM 126 HA LEU A 7 -0.645 -3.114 2.334 1.00 0.00 H +ATOM 127 HB2 LEU A 7 -3.552 -2.327 2.447 1.00 0.00 H +ATOM 128 HB3 LEU A 7 -2.922 -3.640 3.447 1.00 0.00 H +ATOM 129 HG LEU A 7 -1.930 -0.760 3.500 1.00 0.00 H +ATOM 130 HD11 LEU A 7 -4.245 -1.036 4.365 1.00 0.00 H +ATOM 131 HD12 LEU A 7 -3.661 -2.286 5.488 1.00 0.00 H +ATOM 132 HD13 LEU A 7 -3.096 -0.608 5.644 1.00 0.00 H +ATOM 133 HD21 LEU A 7 -1.172 -3.243 5.075 1.00 0.00 H +ATOM 134 HD22 LEU A 7 -0.114 -2.086 4.240 1.00 0.00 H +ATOM 135 HD23 LEU A 7 -0.929 -1.613 5.731 1.00 0.00 H +ATOM 136 N LYS A 8 -2.692 -4.379 0.094 1.00 0.00 N +ATOM 137 CA LYS A 8 -3.020 -5.583 -0.687 1.00 0.00 C +ATOM 138 C LYS A 8 -1.785 -6.364 -1.155 1.00 0.00 C +ATOM 139 O LYS A 8 -1.838 -7.588 -1.203 1.00 0.00 O +ATOM 140 CB LYS A 8 -3.879 -5.189 -1.903 1.00 0.00 C +ATOM 141 CG LYS A 8 -4.659 -6.371 -2.495 1.00 0.00 C +ATOM 142 CD LYS A 8 -5.247 -6.001 -3.867 1.00 0.00 C +ATOM 143 CE LYS A 8 -6.373 -6.957 -4.272 1.00 0.00 C +ATOM 144 NZ LYS A 8 -7.632 -6.645 -3.554 1.00 0.00 N +ATOM 145 H LYS A 8 -3.148 -3.504 -0.155 1.00 0.00 H +ATOM 146 HA LYS A 8 -3.595 -6.254 -0.047 1.00 0.00 H +ATOM 147 HB2 LYS A 8 -4.579 -4.436 -1.597 1.00 0.00 H +ATOM 148 HB3 LYS A 8 -3.229 -4.772 -2.673 1.00 0.00 H +ATOM 149 HG2 LYS A 8 -3.997 -7.208 -2.609 1.00 0.00 H +ATOM 150 HG3 LYS A 8 -5.454 -6.641 -1.801 1.00 0.00 H +ATOM 151 HD2 LYS A 8 -5.637 -5.002 -3.821 1.00 0.00 H +ATOM 152 HD3 LYS A 8 -4.447 -6.061 -4.607 1.00 0.00 H +ATOM 153 HE2 LYS A 8 -6.542 -6.870 -5.328 1.00 0.00 H +ATOM 154 HE3 LYS A 8 -6.057 -7.983 -4.060 1.00 0.00 H +ATOM 155 HZ1 LYS A 8 -7.483 -6.699 -2.554 1.00 0.00 H +ATOM 156 HZ2 LYS A 8 -7.939 -5.708 -3.782 1.00 0.00 H +ATOM 157 HZ3 LYS A 8 -8.360 -7.298 -3.811 1.00 0.00 H +ATOM 158 N ASP A 9 -0.706 -5.663 -1.517 1.00 0.00 N +ATOM 159 CA ASP A 9 0.544 -6.266 -1.987 1.00 0.00 C +ATOM 160 C ASP A 9 1.293 -6.977 -0.843 1.00 0.00 C +ATOM 161 O ASP A 9 1.650 -8.148 -0.961 1.00 0.00 O +ATOM 162 CB ASP A 9 1.392 -5.171 -2.653 1.00 0.00 C +ATOM 163 CG ASP A 9 2.434 -5.757 -3.608 1.00 0.00 C +ATOM 164 OD1 ASP A 9 3.525 -6.132 -3.128 1.00 0.00 O +ATOM 165 OD2 ASP A 9 2.117 -5.814 -4.817 1.00 0.00 O +ATOM 166 H ASP A 9 -0.755 -4.653 -1.452 1.00 0.00 H +ATOM 167 HA ASP A 9 0.304 -7.017 -2.743 1.00 0.00 H +ATOM 168 HB2 ASP A 9 0.744 -4.518 -3.205 1.00 0.00 H +ATOM 169 HB3 ASP A 9 1.878 -4.560 -1.892 1.00 0.00 H +ATOM 170 N GLY A 10 1.469 -6.281 0.289 1.00 0.00 N +ATOM 171 CA GLY A 10 2.142 -6.803 1.484 1.00 0.00 C +ATOM 172 C GLY A 10 2.644 -5.740 2.469 1.00 0.00 C +ATOM 173 O GLY A 10 3.613 -5.985 3.194 1.00 0.00 O +ATOM 174 H GLY A 10 1.155 -5.323 0.250 1.00 0.00 H +ATOM 175 HA2 GLY A 10 1.445 -7.452 2.016 1.00 0.00 H +ATOM 176 HA3 GLY A 10 2.995 -7.408 1.175 1.00 0.00 H +ATOM 177 N GLY A 11 2.028 -4.548 2.496 1.00 0.00 N +ATOM 178 CA GLY A 11 2.465 -3.422 3.328 1.00 0.00 C +ATOM 179 C GLY A 11 3.961 -3.104 3.147 1.00 0.00 C +ATOM 180 O GLY A 11 4.428 -3.060 2.005 1.00 0.00 O +ATOM 181 H GLY A 11 1.229 -4.418 1.894 1.00 0.00 H +ATOM 182 HA2 GLY A 11 1.897 -2.535 3.047 1.00 0.00 H +ATOM 183 HA3 GLY A 11 2.242 -3.663 4.366 1.00 0.00 H +ATOM 184 N PRO A 12 4.744 -2.895 4.229 1.00 0.00 N +ATOM 185 CA PRO A 12 6.184 -2.626 4.136 1.00 0.00 C +ATOM 186 C PRO A 12 6.990 -3.695 3.379 1.00 0.00 C +ATOM 187 O PRO A 12 8.035 -3.383 2.813 1.00 0.00 O +ATOM 188 CB PRO A 12 6.687 -2.517 5.581 1.00 0.00 C +ATOM 189 CG PRO A 12 5.435 -2.200 6.394 1.00 0.00 C +ATOM 190 CD PRO A 12 4.325 -2.910 5.621 1.00 0.00 C +ATOM 191 HA PRO A 12 6.325 -1.668 3.636 1.00 0.00 H +ATOM 192 HB2 PRO A 12 7.124 -3.443 5.902 1.00 0.00 H +ATOM 193 HB3 PRO A 12 7.439 -1.733 5.682 1.00 0.00 H +ATOM 194 HG2 PRO A 12 5.516 -2.586 7.392 1.00 0.00 H +ATOM 195 HG3 PRO A 12 5.256 -1.124 6.386 1.00 0.00 H +ATOM 196 HD2 PRO A 12 4.214 -3.919 5.968 1.00 0.00 H +ATOM 197 HD3 PRO A 12 3.379 -2.387 5.767 1.00 0.00 H +ATOM 198 N SER A 13 6.507 -4.946 3.334 1.00 0.00 N +ATOM 199 CA SER A 13 7.187 -6.064 2.673 1.00 0.00 C +ATOM 200 C SER A 13 7.029 -6.063 1.139 1.00 0.00 C +ATOM 201 O SER A 13 7.451 -7.024 0.494 1.00 0.00 O +ATOM 202 CB SER A 13 6.706 -7.387 3.280 1.00 0.00 C +ATOM 203 OG SER A 13 7.516 -8.439 2.801 1.00 0.00 O +ATOM 204 H SER A 13 5.587 -5.127 3.723 1.00 0.00 H +ATOM 205 HA SER A 13 8.254 -5.982 2.881 1.00 0.00 H +ATOM 206 HB2 SER A 13 6.777 -7.338 4.350 1.00 0.00 H +ATOM 207 HB3 SER A 13 5.667 -7.570 3.006 1.00 0.00 H +ATOM 208 HG SER A 13 7.599 -8.303 1.840 1.00 0.00 H +ATOM 209 N SER A 14 6.431 -5.007 0.568 1.00 0.00 N +ATOM 210 CA SER A 14 6.122 -4.843 -0.863 1.00 0.00 C +ATOM 211 C SER A 14 7.243 -4.167 -1.670 1.00 0.00 C +ATOM 212 O SER A 14 7.126 -4.014 -2.885 1.00 0.00 O +ATOM 213 CB SER A 14 4.869 -3.968 -1.035 1.00 0.00 C +ATOM 214 OG SER A 14 3.852 -4.282 -0.111 1.00 0.00 O +ATOM 215 H SER A 14 6.092 -4.293 1.198 1.00 0.00 H +ATOM 216 HA SER A 14 5.916 -5.820 -1.304 1.00 0.00 H +ATOM 217 HB2 SER A 14 5.148 -2.940 -0.902 1.00 0.00 H +ATOM 218 HB3 SER A 14 4.489 -4.086 -2.049 1.00 0.00 H +ATOM 219 HG SER A 14 4.047 -3.794 0.729 1.00 0.00 H +ATOM 220 N GLY A 15 8.295 -3.658 -1.015 1.00 0.00 N +ATOM 221 CA GLY A 15 9.401 -2.924 -1.649 1.00 0.00 C +ATOM 222 C GLY A 15 9.095 -1.469 -2.050 1.00 0.00 C +ATOM 223 O GLY A 15 10.027 -0.688 -2.223 1.00 0.00 O +ATOM 224 H GLY A 15 8.323 -3.798 -0.013 1.00 0.00 H +ATOM 225 HA2 GLY A 15 10.254 -2.914 -0.971 1.00 0.00 H +ATOM 226 HA3 GLY A 15 9.705 -3.456 -2.552 1.00 0.00 H +ATOM 227 N ARG A 16 7.815 -1.082 -2.167 1.00 0.00 N +ATOM 228 CA ARG A 16 7.364 0.285 -2.472 1.00 0.00 C +ATOM 229 C ARG A 16 6.898 1.010 -1.194 1.00 0.00 C +ATOM 230 O ARG A 16 6.164 0.402 -0.414 1.00 0.00 O +ATOM 231 CB ARG A 16 6.227 0.209 -3.508 1.00 0.00 C +ATOM 232 CG ARG A 16 5.864 1.592 -4.069 1.00 0.00 C +ATOM 233 CD ARG A 16 4.667 1.536 -5.024 1.00 0.00 C +ATOM 234 NE ARG A 16 4.606 2.733 -5.883 1.00 0.00 N +ATOM 235 CZ ARG A 16 4.305 3.981 -5.540 1.00 0.00 C +ATOM 236 NH1 ARG A 16 3.982 4.326 -4.313 1.00 0.00 N +ATOM 237 NH2 ARG A 16 4.338 4.924 -6.455 1.00 0.00 N +ATOM 238 H ARG A 16 7.121 -1.806 -2.050 1.00 0.00 H +ATOM 239 HA ARG A 16 8.203 0.825 -2.912 1.00 0.00 H +ATOM 240 HB2 ARG A 16 6.538 -0.422 -4.318 1.00 0.00 H +ATOM 241 HB3 ARG A 16 5.345 -0.244 -3.049 1.00 0.00 H +ATOM 242 HG2 ARG A 16 5.623 2.244 -3.251 1.00 0.00 H +ATOM 243 HG3 ARG A 16 6.729 1.984 -4.604 1.00 0.00 H +ATOM 244 HD2 ARG A 16 4.756 0.665 -5.645 1.00 0.00 H +ATOM 245 HD3 ARG A 16 3.744 1.430 -4.452 1.00 0.00 H +ATOM 246 HE ARG A 16 4.837 2.583 -6.851 1.00 0.00 H +ATOM 247 HH11 ARG A 16 3.989 3.631 -3.582 1.00 0.00 H +ATOM 248 HH12 ARG A 16 3.762 5.278 -4.085 1.00 0.00 H +ATOM 249 HH21 ARG A 16 4.596 4.707 -7.402 1.00 0.00 H +ATOM 250 HH22 ARG A 16 4.116 5.872 -6.209 1.00 0.00 H +ATOM 251 N PRO A 17 7.232 2.303 -0.989 1.00 0.00 N +ATOM 252 CA PRO A 17 6.749 3.076 0.161 1.00 0.00 C +ATOM 253 C PRO A 17 5.224 3.306 0.130 1.00 0.00 C +ATOM 254 O PRO A 17 4.612 3.230 -0.945 1.00 0.00 O +ATOM 255 CB PRO A 17 7.515 4.405 0.107 1.00 0.00 C +ATOM 256 CG PRO A 17 7.835 4.571 -1.375 1.00 0.00 C +ATOM 257 CD PRO A 17 8.095 3.134 -1.819 1.00 0.00 C +ATOM 258 HA PRO A 17 7.009 2.547 1.078 1.00 0.00 H +ATOM 259 HB2 PRO A 17 6.905 5.214 0.461 1.00 0.00 H +ATOM 260 HB3 PRO A 17 8.445 4.313 0.672 1.00 0.00 H +ATOM 261 HG2 PRO A 17 7.005 4.997 -1.906 1.00 0.00 H +ATOM 262 HG3 PRO A 17 8.703 5.210 -1.537 1.00 0.00 H +ATOM 263 HD2 PRO A 17 7.847 3.012 -2.856 1.00 0.00 H +ATOM 264 HD3 PRO A 17 9.137 2.873 -1.630 1.00 0.00 H +ATOM 265 N PRO A 18 4.607 3.621 1.290 1.00 0.00 N +ATOM 266 CA PRO A 18 3.173 3.861 1.391 1.00 0.00 C +ATOM 267 C PRO A 18 2.768 5.155 0.668 1.00 0.00 C +ATOM 268 O PRO A 18 3.536 6.122 0.654 1.00 0.00 O +ATOM 269 CB PRO A 18 2.862 3.940 2.889 1.00 0.00 C +ATOM 270 CG PRO A 18 4.175 4.424 3.496 1.00 0.00 C +ATOM 271 CD PRO A 18 5.230 3.775 2.601 1.00 0.00 C +ATOM 272 HA PRO A 18 2.647 3.013 0.960 1.00 0.00 H +ATOM 273 HB2 PRO A 18 2.070 4.638 3.081 1.00 0.00 H +ATOM 274 HB3 PRO A 18 2.631 2.946 3.269 1.00 0.00 H +ATOM 275 HG2 PRO A 18 4.245 5.494 3.460 1.00 0.00 H +ATOM 276 HG3 PRO A 18 4.280 4.116 4.536 1.00 0.00 H +ATOM 277 HD2 PRO A 18 6.097 4.404 2.530 1.00 0.00 H +ATOM 278 HD3 PRO A 18 5.490 2.793 2.996 1.00 0.00 H +ATOM 279 N PRO A 19 1.558 5.206 0.088 1.00 0.00 N +ATOM 280 CA PRO A 19 1.036 6.414 -0.536 1.00 0.00 C +ATOM 281 C PRO A 19 0.580 7.431 0.525 1.00 0.00 C +ATOM 282 O PRO A 19 0.139 7.063 1.615 1.00 0.00 O +ATOM 283 CB PRO A 19 -0.114 5.918 -1.419 1.00 0.00 C +ATOM 284 CG PRO A 19 -0.641 4.693 -0.668 1.00 0.00 C +ATOM 285 CD PRO A 19 0.599 4.117 0.004 1.00 0.00 C +ATOM 286 HA PRO A 19 1.800 6.874 -1.164 1.00 0.00 H +ATOM 287 HB2 PRO A 19 -0.876 6.667 -1.512 1.00 0.00 H +ATOM 288 HB3 PRO A 19 0.288 5.602 -2.384 1.00 0.00 H +ATOM 289 HG2 PRO A 19 -1.374 4.978 0.062 1.00 0.00 H +ATOM 290 HG3 PRO A 19 -1.084 3.963 -1.347 1.00 0.00 H +ATOM 291 HD2 PRO A 19 0.357 3.758 0.986 1.00 0.00 H +ATOM 292 HD3 PRO A 19 1.015 3.321 -0.613 1.00 0.00 H +ATOM 293 N SER A 20 0.671 8.718 0.173 1.00 0.00 N +ATOM 294 CA SER A 20 0.166 9.881 0.915 1.00 0.00 C +ATOM 295 C SER A 20 -0.789 10.667 0.023 1.00 0.00 C +ATOM 296 O SER A 20 -1.886 10.995 0.519 1.00 0.00 O +ATOM 297 CB SER A 20 1.319 10.782 1.355 1.00 0.00 C +ATOM 298 OG SER A 20 2.016 10.129 2.391 1.00 0.00 O +ATOM 299 OXT SER A 20 -0.396 10.900 -1.142 1.00 0.00 O +ATOM 300 H SER A 20 0.997 8.943 -0.756 1.00 0.00 H +ATOM 301 HA SER A 20 -0.403 9.569 1.792 1.00 0.00 H +ATOM 302 HB2 SER A 20 1.979 10.958 0.527 1.00 0.00 H +ATOM 303 HB3 SER A 20 0.933 11.738 1.713 1.00 0.00 H +ATOM 304 HG SER A 20 1.901 9.185 2.245 1.00 0.00 H +TER 305 SER A 20 +ENDMDL +MODEL 30 +ATOM 1 N ASN A 1 -6.460 7.364 0.613 1.00 0.00 N +ATOM 2 CA ASN A 1 -7.483 6.556 -0.103 1.00 0.00 C +ATOM 3 C ASN A 1 -6.889 5.287 -0.732 1.00 0.00 C +ATOM 4 O ASN A 1 -7.475 4.227 -0.571 1.00 0.00 O +ATOM 5 CB ASN A 1 -8.236 7.406 -1.144 1.00 0.00 C +ATOM 6 CG ASN A 1 -7.303 7.780 -2.289 1.00 0.00 C +ATOM 7 OD1 ASN A 1 -6.233 8.314 -2.043 1.00 0.00 O +ATOM 8 ND2 ASN A 1 -7.597 7.393 -3.514 1.00 0.00 N +ATOM 9 H1 ASN A 1 -5.878 6.774 1.192 1.00 0.00 H +ATOM 10 H2 ASN A 1 -5.887 7.854 -0.067 1.00 0.00 H +ATOM 11 H3 ASN A 1 -6.912 8.053 1.197 1.00 0.00 H +ATOM 12 HA ASN A 1 -8.216 6.208 0.628 1.00 0.00 H +ATOM 13 HB2 ASN A 1 -9.064 6.843 -1.530 1.00 0.00 H +ATOM 14 HB3 ASN A 1 -8.607 8.320 -0.677 1.00 0.00 H +ATOM 15 HD21 ASN A 1 -8.429 6.875 -3.745 1.00 0.00 H +ATOM 16 HD22 ASN A 1 -6.919 7.643 -4.219 1.00 0.00 H +ATOM 17 N LEU A 2 -5.741 5.358 -1.420 1.00 0.00 N +ATOM 18 CA LEU A 2 -5.100 4.220 -2.108 1.00 0.00 C +ATOM 19 C LEU A 2 -4.341 3.246 -1.180 1.00 0.00 C +ATOM 20 O LEU A 2 -3.776 2.254 -1.644 1.00 0.00 O +ATOM 21 CB LEU A 2 -4.211 4.795 -3.233 1.00 0.00 C +ATOM 22 CG LEU A 2 -5.026 4.979 -4.531 1.00 0.00 C +ATOM 23 CD1 LEU A 2 -4.502 6.140 -5.376 1.00 0.00 C +ATOM 24 CD2 LEU A 2 -5.004 3.695 -5.367 1.00 0.00 C +ATOM 25 H LEU A 2 -5.329 6.267 -1.601 1.00 0.00 H +ATOM 26 HA LEU A 2 -5.882 3.615 -2.569 1.00 0.00 H +ATOM 27 HB2 LEU A 2 -3.822 5.746 -2.923 1.00 0.00 H +ATOM 28 HB3 LEU A 2 -3.367 4.131 -3.434 1.00 0.00 H +ATOM 29 HG LEU A 2 -6.062 5.205 -4.277 1.00 0.00 H +ATOM 30 HD11 LEU A 2 -4.492 7.057 -4.785 1.00 0.00 H +ATOM 31 HD12 LEU A 2 -3.492 5.927 -5.725 1.00 0.00 H +ATOM 32 HD13 LEU A 2 -5.154 6.287 -6.238 1.00 0.00 H +ATOM 33 HD21 LEU A 2 -3.983 3.466 -5.675 1.00 0.00 H +ATOM 34 HD22 LEU A 2 -5.397 2.860 -4.791 1.00 0.00 H +ATOM 35 HD23 LEU A 2 -5.619 3.822 -6.259 1.00 0.00 H +ATOM 36 N TYR A 3 -4.369 3.488 0.136 1.00 0.00 N +ATOM 37 CA TYR A 3 -3.657 2.701 1.145 1.00 0.00 C +ATOM 38 C TYR A 3 -4.098 1.228 1.178 1.00 0.00 C +ATOM 39 O TYR A 3 -3.268 0.347 1.389 1.00 0.00 O +ATOM 40 CB TYR A 3 -3.837 3.357 2.523 1.00 0.00 C +ATOM 41 CG TYR A 3 -2.642 3.161 3.434 1.00 0.00 C +ATOM 42 CD1 TYR A 3 -2.458 1.945 4.120 1.00 0.00 C +ATOM 43 CD2 TYR A 3 -1.695 4.196 3.573 1.00 0.00 C +ATOM 44 CE1 TYR A 3 -1.331 1.761 4.945 1.00 0.00 C +ATOM 45 CE2 TYR A 3 -0.570 4.016 4.396 1.00 0.00 C +ATOM 46 CZ TYR A 3 -0.383 2.798 5.082 1.00 0.00 C +ATOM 47 OH TYR A 3 0.699 2.647 5.890 1.00 0.00 O +ATOM 48 H TYR A 3 -4.905 4.281 0.443 1.00 0.00 H +ATOM 49 HA TYR A 3 -2.597 2.723 0.895 1.00 0.00 H +ATOM 50 HB2 TYR A 3 -3.991 4.410 2.383 1.00 0.00 H +ATOM 51 HB3 TYR A 3 -4.732 2.959 3.008 1.00 0.00 H +ATOM 52 HD1 TYR A 3 -3.179 1.149 4.003 1.00 0.00 H +ATOM 53 HD2 TYR A 3 -1.824 5.137 3.055 1.00 0.00 H +ATOM 54 HE1 TYR A 3 -1.180 0.826 5.463 1.00 0.00 H +ATOM 55 HE2 TYR A 3 0.151 4.808 4.521 1.00 0.00 H +ATOM 56 HH TYR A 3 0.441 2.460 6.795 1.00 0.00 H +ATOM 57 N ILE A 4 -5.388 0.955 0.919 1.00 0.00 N +ATOM 58 CA ILE A 4 -5.920 -0.410 0.824 1.00 0.00 C +ATOM 59 C ILE A 4 -5.170 -1.190 -0.266 1.00 0.00 C +ATOM 60 O ILE A 4 -4.654 -2.276 -0.009 1.00 0.00 O +ATOM 61 CB ILE A 4 -7.449 -0.413 0.570 1.00 0.00 C +ATOM 62 CG1 ILE A 4 -8.252 0.393 1.623 1.00 0.00 C +ATOM 63 CG2 ILE A 4 -7.973 -1.860 0.555 1.00 0.00 C +ATOM 64 CD1 ILE A 4 -8.642 1.792 1.136 1.00 0.00 C +ATOM 65 H ILE A 4 -6.009 1.734 0.758 1.00 0.00 H +ATOM 66 HA ILE A 4 -5.730 -0.915 1.773 1.00 0.00 H +ATOM 67 HB ILE A 4 -7.642 0.008 -0.418 1.00 0.00 H +ATOM 68 HG12 ILE A 4 -9.148 -0.149 1.858 1.00 0.00 H +ATOM 69 HG13 ILE A 4 -7.684 0.477 2.549 1.00 0.00 H +ATOM 70 HG21 ILE A 4 -7.552 -2.404 -0.285 1.00 0.00 H +ATOM 71 HG22 ILE A 4 -7.704 -2.366 1.485 1.00 0.00 H +ATOM 72 HG23 ILE A 4 -9.059 -1.868 0.448 1.00 0.00 H +ATOM 73 HD11 ILE A 4 -7.779 2.452 1.188 1.00 0.00 H +ATOM 74 HD12 ILE A 4 -9.018 1.751 0.113 1.00 0.00 H +ATOM 75 HD13 ILE A 4 -9.431 2.192 1.775 1.00 0.00 H +ATOM 76 N GLN A 5 -5.097 -0.628 -1.481 1.00 0.00 N +ATOM 77 CA GLN A 5 -4.416 -1.240 -2.624 1.00 0.00 C +ATOM 78 C GLN A 5 -2.926 -1.482 -2.349 1.00 0.00 C +ATOM 79 O GLN A 5 -2.406 -2.535 -2.707 1.00 0.00 O +ATOM 80 CB GLN A 5 -4.601 -0.369 -3.878 1.00 0.00 C +ATOM 81 CG GLN A 5 -4.909 -1.238 -5.106 1.00 0.00 C +ATOM 82 CD GLN A 5 -4.680 -0.468 -6.398 1.00 0.00 C +ATOM 83 OE1 GLN A 5 -5.535 0.265 -6.866 1.00 0.00 O +ATOM 84 NE2 GLN A 5 -3.518 -0.604 -7.008 1.00 0.00 N +ATOM 85 H GLN A 5 -5.464 0.307 -1.591 1.00 0.00 H +ATOM 86 HA GLN A 5 -4.871 -2.214 -2.798 1.00 0.00 H +ATOM 87 HB2 GLN A 5 -5.414 0.312 -3.716 1.00 0.00 H +ATOM 88 HB3 GLN A 5 -3.691 0.207 -4.059 1.00 0.00 H +ATOM 89 HG2 GLN A 5 -4.269 -2.099 -5.094 1.00 0.00 H +ATOM 90 HG3 GLN A 5 -5.953 -1.554 -5.065 1.00 0.00 H +ATOM 91 HE21 GLN A 5 -2.791 -1.203 -6.654 1.00 0.00 H +ATOM 92 HE22 GLN A 5 -3.429 -0.080 -7.861 1.00 0.00 H +ATOM 93 N TRP A 6 -2.259 -0.532 -1.681 1.00 0.00 N +ATOM 94 CA TRP A 6 -0.876 -0.690 -1.231 1.00 0.00 C +ATOM 95 C TRP A 6 -0.716 -1.832 -0.211 1.00 0.00 C +ATOM 96 O TRP A 6 0.176 -2.668 -0.361 1.00 0.00 O +ATOM 97 CB TRP A 6 -0.374 0.647 -0.679 1.00 0.00 C +ATOM 98 CG TRP A 6 1.038 0.612 -0.187 1.00 0.00 C +ATOM 99 CD1 TRP A 6 2.141 0.697 -0.963 1.00 0.00 C +ATOM 100 CD2 TRP A 6 1.520 0.464 1.184 1.00 0.00 C +ATOM 101 NE1 TRP A 6 3.265 0.595 -0.168 1.00 0.00 N +ATOM 102 CE2 TRP A 6 2.944 0.448 1.159 1.00 0.00 C +ATOM 103 CE3 TRP A 6 0.902 0.355 2.448 1.00 0.00 C +ATOM 104 CZ2 TRP A 6 3.724 0.344 2.317 1.00 0.00 C +ATOM 105 CZ3 TRP A 6 1.675 0.244 3.623 1.00 0.00 C +ATOM 106 CH2 TRP A 6 3.080 0.249 3.561 1.00 0.00 C +ATOM 107 H TRP A 6 -2.752 0.326 -1.458 1.00 0.00 H +ATOM 108 HA TRP A 6 -0.260 -0.952 -2.093 1.00 0.00 H +ATOM 109 HB2 TRP A 6 -0.441 1.380 -1.459 1.00 0.00 H +ATOM 110 HB3 TRP A 6 -1.015 0.962 0.144 1.00 0.00 H +ATOM 111 HD1 TRP A 6 2.138 0.826 -2.038 1.00 0.00 H +ATOM 112 HE1 TRP A 6 4.223 0.685 -0.491 1.00 0.00 H +ATOM 113 HE3 TRP A 6 -0.175 0.378 2.506 1.00 0.00 H +ATOM 114 HZ2 TRP A 6 4.802 0.341 2.239 1.00 0.00 H +ATOM 115 HZ3 TRP A 6 1.187 0.174 4.582 1.00 0.00 H +ATOM 116 HH2 TRP A 6 3.663 0.185 4.467 1.00 0.00 H +ATOM 117 N LEU A 7 -1.599 -1.914 0.796 1.00 0.00 N +ATOM 118 CA LEU A 7 -1.593 -3.012 1.768 1.00 0.00 C +ATOM 119 C LEU A 7 -1.846 -4.384 1.129 1.00 0.00 C +ATOM 120 O LEU A 7 -1.193 -5.345 1.538 1.00 0.00 O +ATOM 121 CB LEU A 7 -2.602 -2.751 2.902 1.00 0.00 C +ATOM 122 CG LEU A 7 -2.105 -1.780 3.989 1.00 0.00 C +ATOM 123 CD1 LEU A 7 -3.232 -1.537 4.996 1.00 0.00 C +ATOM 124 CD2 LEU A 7 -0.894 -2.319 4.764 1.00 0.00 C +ATOM 125 H LEU A 7 -2.301 -1.181 0.888 1.00 0.00 H +ATOM 126 HA LEU A 7 -0.591 -3.074 2.189 1.00 0.00 H +ATOM 127 HB2 LEU A 7 -3.494 -2.341 2.469 1.00 0.00 H +ATOM 128 HB3 LEU A 7 -2.838 -3.699 3.387 1.00 0.00 H +ATOM 129 HG LEU A 7 -1.835 -0.833 3.527 1.00 0.00 H +ATOM 130 HD11 LEU A 7 -4.108 -1.139 4.483 1.00 0.00 H +ATOM 131 HD12 LEU A 7 -3.500 -2.472 5.489 1.00 0.00 H +ATOM 132 HD13 LEU A 7 -2.913 -0.822 5.752 1.00 0.00 H +ATOM 133 HD21 LEU A 7 -1.122 -3.301 5.179 1.00 0.00 H +ATOM 134 HD22 LEU A 7 -0.027 -2.398 4.112 1.00 0.00 H +ATOM 135 HD23 LEU A 7 -0.639 -1.639 5.576 1.00 0.00 H +ATOM 136 N LYS A 8 -2.722 -4.491 0.113 1.00 0.00 N +ATOM 137 CA LYS A 8 -2.959 -5.749 -0.626 1.00 0.00 C +ATOM 138 C LYS A 8 -1.683 -6.372 -1.201 1.00 0.00 C +ATOM 139 O LYS A 8 -1.595 -7.593 -1.269 1.00 0.00 O +ATOM 140 CB LYS A 8 -4.007 -5.555 -1.743 1.00 0.00 C +ATOM 141 CG LYS A 8 -5.443 -5.846 -1.265 1.00 0.00 C +ATOM 142 CD LYS A 8 -6.440 -4.718 -1.552 1.00 0.00 C +ATOM 143 CE LYS A 8 -6.997 -4.739 -2.978 1.00 0.00 C +ATOM 144 NZ LYS A 8 -7.865 -3.560 -3.222 1.00 0.00 N +ATOM 145 H LYS A 8 -3.252 -3.655 -0.124 1.00 0.00 H +ATOM 146 HA LYS A 8 -3.328 -6.495 0.081 1.00 0.00 H +ATOM 147 HB2 LYS A 8 -3.958 -4.540 -2.087 1.00 0.00 H +ATOM 148 HB3 LYS A 8 -3.787 -6.243 -2.562 1.00 0.00 H +ATOM 149 HG2 LYS A 8 -5.788 -6.734 -1.758 1.00 0.00 H +ATOM 150 HG3 LYS A 8 -5.439 -6.011 -0.187 1.00 0.00 H +ATOM 151 HD2 LYS A 8 -7.260 -4.808 -0.866 1.00 0.00 H +ATOM 152 HD3 LYS A 8 -5.951 -3.767 -1.378 1.00 0.00 H +ATOM 153 HE2 LYS A 8 -6.181 -4.725 -3.675 1.00 0.00 H +ATOM 154 HE3 LYS A 8 -7.572 -5.660 -3.111 1.00 0.00 H +ATOM 155 HZ1 LYS A 8 -8.644 -3.562 -2.574 1.00 0.00 H +ATOM 156 HZ2 LYS A 8 -7.341 -2.706 -3.093 1.00 0.00 H +ATOM 157 HZ3 LYS A 8 -8.232 -3.580 -4.164 1.00 0.00 H +ATOM 158 N ASP A 9 -0.696 -5.556 -1.580 1.00 0.00 N +ATOM 159 CA ASP A 9 0.598 -6.026 -2.075 1.00 0.00 C +ATOM 160 C ASP A 9 1.519 -6.577 -0.966 1.00 0.00 C +ATOM 161 O ASP A 9 2.545 -7.185 -1.279 1.00 0.00 O +ATOM 162 CB ASP A 9 1.286 -4.862 -2.807 1.00 0.00 C +ATOM 163 CG ASP A 9 2.136 -5.346 -3.982 1.00 0.00 C +ATOM 164 OD1 ASP A 9 1.579 -5.513 -5.084 1.00 0.00 O +ATOM 165 OD2 ASP A 9 3.373 -5.444 -3.814 1.00 0.00 O +ATOM 166 H ASP A 9 -0.850 -4.558 -1.514 1.00 0.00 H +ATOM 167 HA ASP A 9 0.421 -6.829 -2.794 1.00 0.00 H +ATOM 168 HB2 ASP A 9 0.534 -4.192 -3.177 1.00 0.00 H +ATOM 169 HB3 ASP A 9 1.907 -4.305 -2.103 1.00 0.00 H +ATOM 170 N GLY A 10 1.200 -6.338 0.319 1.00 0.00 N +ATOM 171 CA GLY A 10 1.994 -6.734 1.492 1.00 0.00 C +ATOM 172 C GLY A 10 2.551 -5.569 2.334 1.00 0.00 C +ATOM 173 O GLY A 10 3.261 -5.808 3.315 1.00 0.00 O +ATOM 174 H GLY A 10 0.312 -5.879 0.502 1.00 0.00 H +ATOM 175 HA2 GLY A 10 1.360 -7.337 2.142 1.00 0.00 H +ATOM 176 HA3 GLY A 10 2.835 -7.356 1.186 1.00 0.00 H +ATOM 177 N GLY A 11 2.238 -4.314 1.983 1.00 0.00 N +ATOM 178 CA GLY A 11 2.630 -3.135 2.756 1.00 0.00 C +ATOM 179 C GLY A 11 4.156 -2.921 2.790 1.00 0.00 C +ATOM 180 O GLY A 11 4.786 -2.907 1.729 1.00 0.00 O +ATOM 181 H GLY A 11 1.725 -4.177 1.122 1.00 0.00 H +ATOM 182 HA2 GLY A 11 2.172 -2.252 2.310 1.00 0.00 H +ATOM 183 HA3 GLY A 11 2.237 -3.250 3.763 1.00 0.00 H +ATOM 184 N PRO A 12 4.785 -2.743 3.974 1.00 0.00 N +ATOM 185 CA PRO A 12 6.237 -2.551 4.077 1.00 0.00 C +ATOM 186 C PRO A 12 7.066 -3.702 3.485 1.00 0.00 C +ATOM 187 O PRO A 12 8.207 -3.486 3.077 1.00 0.00 O +ATOM 188 CB PRO A 12 6.543 -2.392 5.572 1.00 0.00 C +ATOM 189 CG PRO A 12 5.203 -2.021 6.203 1.00 0.00 C +ATOM 190 CD PRO A 12 4.182 -2.709 5.300 1.00 0.00 C +ATOM 191 HA PRO A 12 6.501 -1.628 3.560 1.00 0.00 H +ATOM 192 HB2 PRO A 12 6.913 -3.312 5.983 1.00 0.00 H +ATOM 193 HB3 PRO A 12 7.291 -1.616 5.745 1.00 0.00 H +ATOM 194 HG2 PRO A 12 5.137 -2.391 7.208 1.00 0.00 H +ATOM 195 HG3 PRO A 12 5.065 -0.941 6.157 1.00 0.00 H +ATOM 196 HD2 PRO A 12 3.987 -3.705 5.648 1.00 0.00 H +ATOM 197 HD3 PRO A 12 3.247 -2.149 5.311 1.00 0.00 H +ATOM 198 N SER A 13 6.502 -4.917 3.405 1.00 0.00 N +ATOM 199 CA SER A 13 7.196 -6.128 2.940 1.00 0.00 C +ATOM 200 C SER A 13 7.128 -6.326 1.416 1.00 0.00 C +ATOM 201 O SER A 13 7.334 -7.437 0.931 1.00 0.00 O +ATOM 202 CB SER A 13 6.674 -7.367 3.682 1.00 0.00 C +ATOM 203 OG SER A 13 6.833 -7.217 5.081 1.00 0.00 O +ATOM 204 H SER A 13 5.524 -4.999 3.654 1.00 0.00 H +ATOM 205 HA SER A 13 8.254 -6.034 3.186 1.00 0.00 H +ATOM 206 HB2 SER A 13 5.633 -7.499 3.458 1.00 0.00 H +ATOM 207 HB3 SER A 13 7.251 -8.238 3.368 1.00 0.00 H +ATOM 208 HG SER A 13 6.115 -6.675 5.416 1.00 0.00 H +ATOM 209 N SER A 14 6.854 -5.257 0.662 1.00 0.00 N +ATOM 210 CA SER A 14 6.584 -5.293 -0.785 1.00 0.00 C +ATOM 211 C SER A 14 7.566 -4.459 -1.616 1.00 0.00 C +ATOM 212 O SER A 14 7.367 -4.289 -2.817 1.00 0.00 O +ATOM 213 CB SER A 14 5.146 -4.838 -1.031 1.00 0.00 C +ATOM 214 OG SER A 14 4.277 -5.620 -0.252 1.00 0.00 O +ATOM 215 H SER A 14 6.601 -4.410 1.157 1.00 0.00 H +ATOM 216 HA SER A 14 6.658 -6.321 -1.144 1.00 0.00 H +ATOM 217 HB2 SER A 14 5.044 -3.806 -0.757 1.00 0.00 H +ATOM 218 HB3 SER A 14 4.908 -4.937 -2.086 1.00 0.00 H +ATOM 219 HG SER A 14 3.762 -6.253 -0.814 1.00 0.00 H +ATOM 220 N GLY A 15 8.616 -3.911 -0.986 1.00 0.00 N +ATOM 221 CA GLY A 15 9.650 -3.115 -1.655 1.00 0.00 C +ATOM 222 C GLY A 15 9.148 -1.778 -2.215 1.00 0.00 C +ATOM 223 O GLY A 15 9.705 -1.282 -3.192 1.00 0.00 O +ATOM 224 H GLY A 15 8.720 -4.130 -0.003 1.00 0.00 H +ATOM 225 HA2 GLY A 15 10.451 -2.904 -0.947 1.00 0.00 H +ATOM 226 HA3 GLY A 15 10.069 -3.693 -2.479 1.00 0.00 H +ATOM 227 N ARG A 16 8.090 -1.203 -1.622 1.00 0.00 N +ATOM 228 CA ARG A 16 7.417 0.014 -2.096 1.00 0.00 C +ATOM 229 C ARG A 16 6.924 0.888 -0.926 1.00 0.00 C +ATOM 230 O ARG A 16 6.280 0.358 -0.018 1.00 0.00 O +ATOM 231 CB ARG A 16 6.269 -0.371 -3.052 1.00 0.00 C +ATOM 232 CG ARG A 16 5.250 -1.359 -2.458 1.00 0.00 C +ATOM 233 CD ARG A 16 4.104 -1.695 -3.419 1.00 0.00 C +ATOM 234 NE ARG A 16 4.341 -2.957 -4.134 1.00 0.00 N +ATOM 235 CZ ARG A 16 4.904 -3.201 -5.305 1.00 0.00 C +ATOM 236 NH1 ARG A 16 5.427 -2.257 -6.053 1.00 0.00 N +ATOM 237 NH2 ARG A 16 4.910 -4.436 -5.734 1.00 0.00 N +ATOM 238 H ARG A 16 7.706 -1.667 -0.809 1.00 0.00 H +ATOM 239 HA ARG A 16 8.145 0.582 -2.674 1.00 0.00 H +ATOM 240 HB2 ARG A 16 5.747 0.525 -3.327 1.00 0.00 H +ATOM 241 HB3 ARG A 16 6.708 -0.821 -3.943 1.00 0.00 H +ATOM 242 HG2 ARG A 16 5.762 -2.268 -2.207 1.00 0.00 H +ATOM 243 HG3 ARG A 16 4.813 -0.934 -1.563 1.00 0.00 H +ATOM 244 HD2 ARG A 16 3.194 -1.780 -2.857 1.00 0.00 H +ATOM 245 HD3 ARG A 16 3.933 -0.873 -4.115 1.00 0.00 H +ATOM 246 HE ARG A 16 3.985 -3.821 -3.714 1.00 0.00 H +ATOM 247 HH11 ARG A 16 5.402 -1.317 -5.706 1.00 0.00 H +ATOM 248 HH12 ARG A 16 5.836 -2.486 -6.938 1.00 0.00 H +ATOM 249 HH21 ARG A 16 4.381 -5.092 -5.130 1.00 0.00 H +ATOM 250 HH22 ARG A 16 5.299 -4.728 -6.606 1.00 0.00 H +ATOM 251 N PRO A 17 7.173 2.212 -0.928 1.00 0.00 N +ATOM 252 CA PRO A 17 6.709 3.107 0.135 1.00 0.00 C +ATOM 253 C PRO A 17 5.179 3.304 0.093 1.00 0.00 C +ATOM 254 O PRO A 17 4.572 3.105 -0.963 1.00 0.00 O +ATOM 255 CB PRO A 17 7.453 4.424 -0.105 1.00 0.00 C +ATOM 256 CG PRO A 17 7.690 4.435 -1.615 1.00 0.00 C +ATOM 257 CD PRO A 17 7.884 2.960 -1.955 1.00 0.00 C +ATOM 258 HA PRO A 17 6.996 2.696 1.103 1.00 0.00 H +ATOM 259 HB2 PRO A 17 6.854 5.262 0.195 1.00 0.00 H +ATOM 260 HB3 PRO A 17 8.414 4.395 0.413 1.00 0.00 H +ATOM 261 HG2 PRO A 17 6.842 4.840 -2.134 1.00 0.00 H +ATOM 262 HG3 PRO A 17 8.568 5.026 -1.881 1.00 0.00 H +ATOM 263 HD2 PRO A 17 7.475 2.744 -2.923 1.00 0.00 H +ATOM 264 HD3 PRO A 17 8.945 2.707 -1.917 1.00 0.00 H +ATOM 265 N PRO A 18 4.547 3.703 1.215 1.00 0.00 N +ATOM 266 CA PRO A 18 3.107 3.958 1.273 1.00 0.00 C +ATOM 267 C PRO A 18 2.718 5.246 0.522 1.00 0.00 C +ATOM 268 O PRO A 18 3.537 6.161 0.405 1.00 0.00 O +ATOM 269 CB PRO A 18 2.775 4.060 2.766 1.00 0.00 C +ATOM 270 CG PRO A 18 4.078 4.556 3.393 1.00 0.00 C +ATOM 271 CD PRO A 18 5.157 3.921 2.519 1.00 0.00 C +ATOM 272 HA PRO A 18 2.574 3.114 0.842 1.00 0.00 H +ATOM 273 HB2 PRO A 18 1.979 4.759 2.934 1.00 0.00 H +ATOM 274 HB3 PRO A 18 2.537 3.072 3.156 1.00 0.00 H +ATOM 275 HG2 PRO A 18 4.137 5.627 3.359 1.00 0.00 H +ATOM 276 HG3 PRO A 18 4.168 4.245 4.434 1.00 0.00 H +ATOM 277 HD2 PRO A 18 5.999 4.580 2.430 1.00 0.00 H +ATOM 278 HD3 PRO A 18 5.454 2.961 2.942 1.00 0.00 H +ATOM 279 N PRO A 19 1.462 5.356 0.042 1.00 0.00 N +ATOM 280 CA PRO A 19 0.965 6.565 -0.607 1.00 0.00 C +ATOM 281 C PRO A 19 0.679 7.670 0.424 1.00 0.00 C +ATOM 282 O PRO A 19 0.133 7.394 1.493 1.00 0.00 O +ATOM 283 CB PRO A 19 -0.307 6.120 -1.337 1.00 0.00 C +ATOM 284 CG PRO A 19 -0.842 4.980 -0.470 1.00 0.00 C +ATOM 285 CD PRO A 19 0.425 4.333 0.092 1.00 0.00 C +ATOM 286 HA PRO A 19 1.694 6.927 -1.334 1.00 0.00 H +ATOM 287 HB2 PRO A 19 -1.016 6.923 -1.394 1.00 0.00 H +ATOM 288 HB3 PRO A 19 -0.038 5.730 -2.321 1.00 0.00 H +ATOM 289 HG2 PRO A 19 -1.462 5.358 0.320 1.00 0.00 H +ATOM 290 HG3 PRO A 19 -1.427 4.271 -1.057 1.00 0.00 H +ATOM 291 HD2 PRO A 19 0.263 4.017 1.104 1.00 0.00 H +ATOM 292 HD3 PRO A 19 0.718 3.493 -0.537 1.00 0.00 H +ATOM 293 N SER A 20 1.033 8.915 0.077 1.00 0.00 N +ATOM 294 CA SER A 20 0.705 10.139 0.828 1.00 0.00 C +ATOM 295 C SER A 20 -0.786 10.478 0.742 1.00 0.00 C +ATOM 296 O SER A 20 -1.375 10.693 1.822 1.00 0.00 O +ATOM 297 CB SER A 20 1.520 11.322 0.296 1.00 0.00 C +ATOM 298 OG SER A 20 2.902 11.054 0.415 1.00 0.00 O +ATOM 299 OXT SER A 20 -1.297 10.548 -0.398 1.00 0.00 O +ATOM 300 H SER A 20 1.493 9.051 -0.810 1.00 0.00 H +ATOM 301 HA SER A 20 0.929 9.985 1.882 1.00 0.00 H +ATOM 302 HB2 SER A 20 1.278 11.484 -0.737 1.00 0.00 H +ATOM 303 HB3 SER A 20 1.270 12.218 0.868 1.00 0.00 H +ATOM 304 HG SER A 20 3.079 10.774 1.317 1.00 0.00 H +TER 305 SER A 20 +ENDMDL +MODEL 31 +ATOM 1 N ASN A 1 -5.909 7.522 0.267 1.00 0.00 N +ATOM 2 CA ASN A 1 -6.878 6.859 -0.640 1.00 0.00 C +ATOM 3 C ASN A 1 -6.387 5.474 -1.074 1.00 0.00 C +ATOM 4 O ASN A 1 -7.073 4.506 -0.795 1.00 0.00 O +ATOM 5 CB ASN A 1 -7.238 7.752 -1.848 1.00 0.00 C +ATOM 6 CG ASN A 1 -6.030 7.972 -2.754 1.00 0.00 C +ATOM 7 OD1 ASN A 1 -4.939 8.212 -2.259 1.00 0.00 O +ATOM 8 ND2 ASN A 1 -6.143 7.768 -4.052 1.00 0.00 N +ATOM 9 H1 ASN A 1 -5.599 6.883 0.986 1.00 0.00 H +ATOM 10 H2 ASN A 1 -5.112 7.842 -0.277 1.00 0.00 H +ATOM 11 H3 ASN A 1 -6.337 8.328 0.703 1.00 0.00 H +ATOM 12 HA ASN A 1 -7.798 6.680 -0.079 1.00 0.00 H +ATOM 13 HB2 ASN A 1 -8.017 7.278 -2.413 1.00 0.00 H +ATOM 14 HB3 ASN A 1 -7.592 8.722 -1.493 1.00 0.00 H +ATOM 15 HD21 ASN A 1 -7.007 7.508 -4.498 1.00 0.00 H +ATOM 16 HD22 ASN A 1 -5.297 7.914 -4.581 1.00 0.00 H +ATOM 17 N LEU A 2 -5.214 5.357 -1.714 1.00 0.00 N +ATOM 18 CA LEU A 2 -4.723 4.133 -2.374 1.00 0.00 C +ATOM 19 C LEU A 2 -4.072 3.112 -1.410 1.00 0.00 C +ATOM 20 O LEU A 2 -3.514 2.099 -1.824 1.00 0.00 O +ATOM 21 CB LEU A 2 -3.784 4.570 -3.527 1.00 0.00 C +ATOM 22 CG LEU A 2 -4.051 3.825 -4.857 1.00 0.00 C +ATOM 23 CD1 LEU A 2 -4.094 4.806 -6.033 1.00 0.00 C +ATOM 24 CD2 LEU A 2 -2.990 2.766 -5.156 1.00 0.00 C +ATOM 25 H LEU A 2 -4.694 6.204 -1.928 1.00 0.00 H +ATOM 26 HA LEU A 2 -5.592 3.628 -2.801 1.00 0.00 H +ATOM 27 HB2 LEU A 2 -3.918 5.621 -3.694 1.00 0.00 H +ATOM 28 HB3 LEU A 2 -2.742 4.452 -3.229 1.00 0.00 H +ATOM 29 HG LEU A 2 -5.023 3.338 -4.815 1.00 0.00 H +ATOM 30 HD11 LEU A 2 -4.920 5.505 -5.900 1.00 0.00 H +ATOM 31 HD12 LEU A 2 -3.158 5.361 -6.096 1.00 0.00 H +ATOM 32 HD13 LEU A 2 -4.250 4.259 -6.963 1.00 0.00 H +ATOM 33 HD21 LEU A 2 -2.068 3.238 -5.500 1.00 0.00 H +ATOM 34 HD22 LEU A 2 -2.771 2.189 -4.262 1.00 0.00 H +ATOM 35 HD23 LEU A 2 -3.360 2.093 -5.930 1.00 0.00 H +ATOM 36 N TYR A 3 -4.158 3.379 -0.100 1.00 0.00 N +ATOM 37 CA TYR A 3 -3.550 2.591 0.970 1.00 0.00 C +ATOM 38 C TYR A 3 -4.064 1.142 1.019 1.00 0.00 C +ATOM 39 O TYR A 3 -3.312 0.246 1.398 1.00 0.00 O +ATOM 40 CB TYR A 3 -3.780 3.308 2.312 1.00 0.00 C +ATOM 41 CG TYR A 3 -2.551 3.326 3.197 1.00 0.00 C +ATOM 42 CD1 TYR A 3 -2.261 2.225 4.024 1.00 0.00 C +ATOM 43 CD2 TYR A 3 -1.687 4.439 3.181 1.00 0.00 C +ATOM 44 CE1 TYR A 3 -1.106 2.230 4.829 1.00 0.00 C +ATOM 45 CE2 TYR A 3 -0.529 4.448 3.976 1.00 0.00 C +ATOM 46 CZ TYR A 3 -0.232 3.340 4.800 1.00 0.00 C +ATOM 47 OH TYR A 3 0.880 3.349 5.583 1.00 0.00 O +ATOM 48 H TYR A 3 -4.674 4.203 0.150 1.00 0.00 H +ATOM 49 HA TYR A 3 -2.477 2.550 0.784 1.00 0.00 H +ATOM 50 HB2 TYR A 3 -4.071 4.321 2.112 1.00 0.00 H +ATOM 51 HB3 TYR A 3 -4.604 2.835 2.848 1.00 0.00 H +ATOM 52 HD1 TYR A 3 -2.925 1.374 4.033 1.00 0.00 H +ATOM 53 HD2 TYR A 3 -1.899 5.294 2.555 1.00 0.00 H +ATOM 54 HE1 TYR A 3 -0.876 1.391 5.467 1.00 0.00 H +ATOM 55 HE2 TYR A 3 0.134 5.301 3.953 1.00 0.00 H +ATOM 56 HH TYR A 3 0.691 3.713 6.450 1.00 0.00 H +ATOM 57 N ILE A 4 -5.318 0.899 0.604 1.00 0.00 N +ATOM 58 CA ILE A 4 -5.916 -0.442 0.543 1.00 0.00 C +ATOM 59 C ILE A 4 -5.144 -1.321 -0.447 1.00 0.00 C +ATOM 60 O ILE A 4 -4.704 -2.405 -0.072 1.00 0.00 O +ATOM 61 CB ILE A 4 -7.426 -0.393 0.201 1.00 0.00 C +ATOM 62 CG1 ILE A 4 -8.210 0.560 1.137 1.00 0.00 C +ATOM 63 CG2 ILE A 4 -8.041 -1.802 0.286 1.00 0.00 C +ATOM 64 CD1 ILE A 4 -8.670 1.817 0.395 1.00 0.00 C +ATOM 65 H ILE A 4 -5.870 1.690 0.302 1.00 0.00 H +ATOM 66 HA ILE A 4 -5.811 -0.900 1.529 1.00 0.00 H +ATOM 67 HB ILE A 4 -7.537 -0.053 -0.832 1.00 0.00 H +ATOM 68 HG12 ILE A 4 -9.071 0.045 1.518 1.00 0.00 H +ATOM 69 HG13 ILE A 4 -7.591 0.854 1.986 1.00 0.00 H +ATOM 70 HG21 ILE A 4 -7.564 -2.474 -0.427 1.00 0.00 H +ATOM 71 HG22 ILE A 4 -7.920 -2.203 1.294 1.00 0.00 H +ATOM 72 HG23 ILE A 4 -9.103 -1.755 0.046 1.00 0.00 H +ATOM 73 HD11 ILE A 4 -7.834 2.238 -0.159 1.00 0.00 H +ATOM 74 HD12 ILE A 4 -9.467 1.560 -0.304 1.00 0.00 H +ATOM 75 HD13 ILE A 4 -9.041 2.553 1.108 1.00 0.00 H +ATOM 76 N GLN A 5 -4.941 -0.843 -1.684 1.00 0.00 N +ATOM 77 CA GLN A 5 -4.117 -1.514 -2.693 1.00 0.00 C +ATOM 78 C GLN A 5 -2.686 -1.746 -2.187 1.00 0.00 C +ATOM 79 O GLN A 5 -2.209 -2.879 -2.229 1.00 0.00 O +ATOM 80 CB GLN A 5 -4.134 -0.708 -4.002 1.00 0.00 C +ATOM 81 CG GLN A 5 -5.442 -0.901 -4.795 1.00 0.00 C +ATOM 82 CD GLN A 5 -6.166 0.412 -5.082 1.00 0.00 C +ATOM 83 OE1 GLN A 5 -6.464 1.188 -4.184 1.00 0.00 O +ATOM 84 NE2 GLN A 5 -6.497 0.688 -6.330 1.00 0.00 N +ATOM 85 H GLN A 5 -5.307 0.072 -1.913 1.00 0.00 H +ATOM 86 HA GLN A 5 -4.539 -2.498 -2.896 1.00 0.00 H +ATOM 87 HB2 GLN A 5 -4.024 0.333 -3.767 1.00 0.00 H +ATOM 88 HB3 GLN A 5 -3.302 -1.031 -4.631 1.00 0.00 H +ATOM 89 HG2 GLN A 5 -5.209 -1.374 -5.729 1.00 0.00 H +ATOM 90 HG3 GLN A 5 -6.129 -1.543 -4.244 1.00 0.00 H +ATOM 91 HE21 GLN A 5 -6.283 0.067 -7.093 1.00 0.00 H +ATOM 92 HE22 GLN A 5 -7.002 1.548 -6.458 1.00 0.00 H +ATOM 93 N TRP A 6 -2.034 -0.709 -1.645 1.00 0.00 N +ATOM 94 CA TRP A 6 -0.678 -0.829 -1.093 1.00 0.00 C +ATOM 95 C TRP A 6 -0.567 -1.888 0.023 1.00 0.00 C +ATOM 96 O TRP A 6 0.376 -2.684 0.030 1.00 0.00 O +ATOM 97 CB TRP A 6 -0.200 0.546 -0.612 1.00 0.00 C +ATOM 98 CG TRP A 6 1.200 0.544 -0.082 1.00 0.00 C +ATOM 99 CD1 TRP A 6 2.322 0.559 -0.836 1.00 0.00 C +ATOM 100 CD2 TRP A 6 1.651 0.467 1.306 1.00 0.00 C +ATOM 101 NE1 TRP A 6 3.427 0.481 -0.014 1.00 0.00 N +ATOM 102 CE2 TRP A 6 3.075 0.428 1.313 1.00 0.00 C +ATOM 103 CE3 TRP A 6 1.006 0.418 2.560 1.00 0.00 C +ATOM 104 CZ2 TRP A 6 3.828 0.362 2.492 1.00 0.00 C +ATOM 105 CZ3 TRP A 6 1.749 0.341 3.754 1.00 0.00 C +ATOM 106 CH2 TRP A 6 3.155 0.321 3.723 1.00 0.00 C +ATOM 107 H TRP A 6 -2.492 0.198 -1.645 1.00 0.00 H +ATOM 108 HA TRP A 6 -0.016 -1.157 -1.898 1.00 0.00 H +ATOM 109 HB2 TRP A 6 -0.249 1.230 -1.438 1.00 0.00 H +ATOM 110 HB3 TRP A 6 -0.866 0.904 0.171 1.00 0.00 H +ATOM 111 HD1 TRP A 6 2.344 0.600 -1.918 1.00 0.00 H +ATOM 112 HE1 TRP A 6 4.399 0.465 -0.330 1.00 0.00 H +ATOM 113 HE3 TRP A 6 -0.073 0.449 2.593 1.00 0.00 H +ATOM 114 HZ2 TRP A 6 4.906 0.339 2.439 1.00 0.00 H +ATOM 115 HZ3 TRP A 6 1.239 0.310 4.706 1.00 0.00 H +ATOM 116 HH2 TRP A 6 3.716 0.279 4.647 1.00 0.00 H +ATOM 117 N LEU A 7 -1.531 -1.946 0.950 1.00 0.00 N +ATOM 118 CA LEU A 7 -1.587 -3.012 1.954 1.00 0.00 C +ATOM 119 C LEU A 7 -1.883 -4.387 1.338 1.00 0.00 C +ATOM 120 O LEU A 7 -1.259 -5.363 1.752 1.00 0.00 O +ATOM 121 CB LEU A 7 -2.605 -2.670 3.056 1.00 0.00 C +ATOM 122 CG LEU A 7 -2.118 -1.596 4.051 1.00 0.00 C +ATOM 123 CD1 LEU A 7 -3.255 -1.244 5.014 1.00 0.00 C +ATOM 124 CD2 LEU A 7 -0.920 -2.061 4.892 1.00 0.00 C +ATOM 125 H LEU A 7 -2.264 -1.238 0.941 1.00 0.00 H +ATOM 126 HA LEU A 7 -0.599 -3.102 2.404 1.00 0.00 H +ATOM 127 HB2 LEU A 7 -3.502 -2.314 2.587 1.00 0.00 H +ATOM 128 HB3 LEU A 7 -2.828 -3.576 3.621 1.00 0.00 H +ATOM 129 HG LEU A 7 -1.835 -0.698 3.507 1.00 0.00 H +ATOM 130 HD11 LEU A 7 -4.107 -0.863 4.451 1.00 0.00 H +ATOM 131 HD12 LEU A 7 -3.559 -2.129 5.572 1.00 0.00 H +ATOM 132 HD13 LEU A 7 -2.924 -0.478 5.716 1.00 0.00 H +ATOM 133 HD21 LEU A 7 -1.159 -2.994 5.401 1.00 0.00 H +ATOM 134 HD22 LEU A 7 -0.046 -2.207 4.261 1.00 0.00 H +ATOM 135 HD23 LEU A 7 -0.673 -1.303 5.635 1.00 0.00 H +ATOM 136 N LYS A 8 -2.772 -4.477 0.334 1.00 0.00 N +ATOM 137 CA LYS A 8 -3.105 -5.716 -0.398 1.00 0.00 C +ATOM 138 C LYS A 8 -1.879 -6.425 -0.982 1.00 0.00 C +ATOM 139 O LYS A 8 -1.855 -7.653 -0.986 1.00 0.00 O +ATOM 140 CB LYS A 8 -4.125 -5.413 -1.517 1.00 0.00 C +ATOM 141 CG LYS A 8 -5.509 -6.032 -1.296 1.00 0.00 C +ATOM 142 CD LYS A 8 -5.571 -7.539 -1.610 1.00 0.00 C +ATOM 143 CE LYS A 8 -6.790 -7.876 -2.484 1.00 0.00 C +ATOM 144 NZ LYS A 8 -6.467 -7.814 -3.931 1.00 0.00 N +ATOM 145 H LYS A 8 -3.262 -3.623 0.071 1.00 0.00 H +ATOM 146 HA LYS A 8 -3.545 -6.418 0.311 1.00 0.00 H +ATOM 147 HB2 LYS A 8 -4.241 -4.349 -1.587 1.00 0.00 H +ATOM 148 HB3 LYS A 8 -3.737 -5.743 -2.483 1.00 0.00 H +ATOM 149 HG2 LYS A 8 -5.784 -5.888 -0.269 1.00 0.00 H +ATOM 150 HG3 LYS A 8 -6.212 -5.498 -1.938 1.00 0.00 H +ATOM 151 HD2 LYS A 8 -4.677 -7.825 -2.131 1.00 0.00 H +ATOM 152 HD3 LYS A 8 -5.653 -8.084 -0.669 1.00 0.00 H +ATOM 153 HE2 LYS A 8 -7.125 -8.867 -2.245 1.00 0.00 H +ATOM 154 HE3 LYS A 8 -7.598 -7.177 -2.246 1.00 0.00 H +ATOM 155 HZ1 LYS A 8 -6.123 -6.897 -4.179 1.00 0.00 H +ATOM 156 HZ2 LYS A 8 -5.753 -8.496 -4.155 1.00 0.00 H +ATOM 157 HZ3 LYS A 8 -7.289 -8.017 -4.487 1.00 0.00 H +ATOM 158 N ASP A 9 -0.876 -5.673 -1.449 1.00 0.00 N +ATOM 159 CA ASP A 9 0.398 -6.223 -1.930 1.00 0.00 C +ATOM 160 C ASP A 9 1.311 -6.762 -0.805 1.00 0.00 C +ATOM 161 O ASP A 9 2.203 -7.564 -1.082 1.00 0.00 O +ATOM 162 CB ASP A 9 1.147 -5.144 -2.731 1.00 0.00 C +ATOM 163 CG ASP A 9 0.467 -4.801 -4.061 1.00 0.00 C +ATOM 164 OD1 ASP A 9 0.157 -5.754 -4.813 1.00 0.00 O +ATOM 165 OD2 ASP A 9 0.290 -3.591 -4.324 1.00 0.00 O +ATOM 166 H ASP A 9 -1.030 -4.670 -1.499 1.00 0.00 H +ATOM 167 HA ASP A 9 0.195 -7.060 -2.600 1.00 0.00 H +ATOM 168 HB2 ASP A 9 1.201 -4.253 -2.136 1.00 0.00 H +ATOM 169 HB3 ASP A 9 2.152 -5.505 -2.957 1.00 0.00 H +ATOM 170 N GLY A 10 1.096 -6.352 0.456 1.00 0.00 N +ATOM 171 CA GLY A 10 1.939 -6.705 1.606 1.00 0.00 C +ATOM 172 C GLY A 10 2.565 -5.512 2.347 1.00 0.00 C +ATOM 173 O GLY A 10 3.435 -5.730 3.206 1.00 0.00 O +ATOM 174 H GLY A 10 0.261 -5.800 0.631 1.00 0.00 H +ATOM 175 HA2 GLY A 10 1.326 -7.256 2.320 1.00 0.00 H +ATOM 176 HA3 GLY A 10 2.746 -7.365 1.289 1.00 0.00 H +ATOM 177 N GLY A 11 2.176 -4.272 2.029 1.00 0.00 N +ATOM 178 CA GLY A 11 2.626 -3.057 2.710 1.00 0.00 C +ATOM 179 C GLY A 11 4.158 -2.915 2.747 1.00 0.00 C +ATOM 180 O GLY A 11 4.789 -2.963 1.691 1.00 0.00 O +ATOM 181 H GLY A 11 1.547 -4.148 1.241 1.00 0.00 H +ATOM 182 HA2 GLY A 11 2.223 -2.195 2.180 1.00 0.00 H +ATOM 183 HA3 GLY A 11 2.209 -3.058 3.715 1.00 0.00 H +ATOM 184 N PRO A 12 4.800 -2.763 3.930 1.00 0.00 N +ATOM 185 CA PRO A 12 6.259 -2.630 4.030 1.00 0.00 C +ATOM 186 C PRO A 12 7.037 -3.777 3.366 1.00 0.00 C +ATOM 187 O PRO A 12 8.146 -3.571 2.879 1.00 0.00 O +ATOM 188 CB PRO A 12 6.578 -2.563 5.529 1.00 0.00 C +ATOM 189 CG PRO A 12 5.267 -2.123 6.174 1.00 0.00 C +ATOM 190 CD PRO A 12 4.203 -2.726 5.258 1.00 0.00 C +ATOM 191 HA PRO A 12 6.554 -1.691 3.560 1.00 0.00 H +ATOM 192 HB2 PRO A 12 6.879 -3.525 5.897 1.00 0.00 H +ATOM 193 HB3 PRO A 12 7.381 -1.855 5.734 1.00 0.00 H +ATOM 194 HG2 PRO A 12 5.180 -2.511 7.171 1.00 0.00 H +ATOM 195 HG3 PRO A 12 5.195 -1.035 6.150 1.00 0.00 H +ATOM 196 HD2 PRO A 12 3.949 -3.717 5.582 1.00 0.00 H +ATOM 197 HD3 PRO A 12 3.303 -2.112 5.287 1.00 0.00 H +ATOM 198 N SER A 13 6.444 -4.979 3.307 1.00 0.00 N +ATOM 199 CA SER A 13 7.043 -6.156 2.670 1.00 0.00 C +ATOM 200 C SER A 13 6.983 -6.137 1.130 1.00 0.00 C +ATOM 201 O SER A 13 7.548 -7.021 0.494 1.00 0.00 O +ATOM 202 CB SER A 13 6.428 -7.435 3.253 1.00 0.00 C +ATOM 203 OG SER A 13 5.089 -7.644 2.842 1.00 0.00 O +ATOM 204 H SER A 13 5.500 -5.052 3.666 1.00 0.00 H +ATOM 205 HA SER A 13 8.101 -6.173 2.933 1.00 0.00 H +ATOM 206 HB2 SER A 13 7.018 -8.273 2.935 1.00 0.00 H +ATOM 207 HB3 SER A 13 6.467 -7.386 4.343 1.00 0.00 H +ATOM 208 HG SER A 13 4.507 -6.893 3.104 1.00 0.00 H +ATOM 209 N SER A 14 6.343 -5.125 0.518 1.00 0.00 N +ATOM 210 CA SER A 14 6.214 -4.963 -0.941 1.00 0.00 C +ATOM 211 C SER A 14 7.325 -4.127 -1.595 1.00 0.00 C +ATOM 212 O SER A 14 7.306 -3.936 -2.809 1.00 0.00 O +ATOM 213 CB SER A 14 4.882 -4.280 -1.265 1.00 0.00 C +ATOM 214 OG SER A 14 3.823 -4.982 -0.663 1.00 0.00 O +ATOM 215 H SER A 14 5.902 -4.413 1.097 1.00 0.00 H +ATOM 216 HA SER A 14 6.217 -5.946 -1.415 1.00 0.00 H +ATOM 217 HB2 SER A 14 4.899 -3.274 -0.893 1.00 0.00 H +ATOM 218 HB3 SER A 14 4.731 -4.256 -2.345 1.00 0.00 H +ATOM 219 HG SER A 14 4.199 -5.674 -0.113 1.00 0.00 H +ATOM 220 N GLY A 15 8.258 -3.554 -0.822 1.00 0.00 N +ATOM 221 CA GLY A 15 9.356 -2.717 -1.330 1.00 0.00 C +ATOM 222 C GLY A 15 8.956 -1.287 -1.733 1.00 0.00 C +ATOM 223 O GLY A 15 9.753 -0.366 -1.564 1.00 0.00 O +ATOM 224 H GLY A 15 8.204 -3.723 0.175 1.00 0.00 H +ATOM 225 HA2 GLY A 15 10.135 -2.654 -0.570 1.00 0.00 H +ATOM 226 HA3 GLY A 15 9.789 -3.199 -2.207 1.00 0.00 H +ATOM 227 N ARG A 16 7.740 -1.078 -2.255 1.00 0.00 N +ATOM 228 CA ARG A 16 7.196 0.244 -2.606 1.00 0.00 C +ATOM 229 C ARG A 16 6.800 1.026 -1.334 1.00 0.00 C +ATOM 230 O ARG A 16 6.153 0.438 -0.465 1.00 0.00 O +ATOM 231 CB ARG A 16 6.004 0.043 -3.562 1.00 0.00 C +ATOM 232 CG ARG A 16 5.598 1.337 -4.286 1.00 0.00 C +ATOM 233 CD ARG A 16 4.649 1.070 -5.464 1.00 0.00 C +ATOM 234 NE ARG A 16 5.376 0.549 -6.647 1.00 0.00 N +ATOM 235 CZ ARG A 16 5.988 1.239 -7.584 1.00 0.00 C +ATOM 236 NH1 ARG A 16 6.011 2.568 -7.581 1.00 0.00 N +ATOM 237 NH2 ARG A 16 6.613 0.642 -8.574 1.00 0.00 N +ATOM 238 H ARG A 16 7.177 -1.909 -2.406 1.00 0.00 H +ATOM 239 HA ARG A 16 7.984 0.785 -3.128 1.00 0.00 H +ATOM 240 HB2 ARG A 16 6.273 -0.691 -4.297 1.00 0.00 H +ATOM 241 HB3 ARG A 16 5.146 -0.347 -3.007 1.00 0.00 H +ATOM 242 HG2 ARG A 16 5.106 1.985 -3.586 1.00 0.00 H +ATOM 243 HG3 ARG A 16 6.488 1.833 -4.670 1.00 0.00 H +ATOM 244 HD2 ARG A 16 3.914 0.349 -5.162 1.00 0.00 H +ATOM 245 HD3 ARG A 16 4.142 2.000 -5.728 1.00 0.00 H +ATOM 246 HE ARG A 16 5.404 -0.458 -6.736 1.00 0.00 H +ATOM 247 HH11 ARG A 16 5.535 3.037 -6.833 1.00 0.00 H +ATOM 248 HH12 ARG A 16 6.471 3.081 -8.301 1.00 0.00 H +ATOM 249 HH21 ARG A 16 6.628 -0.366 -8.623 1.00 0.00 H +ATOM 250 HH22 ARG A 16 7.076 1.176 -9.280 1.00 0.00 H +ATOM 251 N PRO A 17 7.126 2.330 -1.200 1.00 0.00 N +ATOM 252 CA PRO A 17 6.809 3.113 0.002 1.00 0.00 C +ATOM 253 C PRO A 17 5.294 3.369 0.169 1.00 0.00 C +ATOM 254 O PRO A 17 4.551 3.273 -0.812 1.00 0.00 O +ATOM 255 CB PRO A 17 7.588 4.425 -0.160 1.00 0.00 C +ATOM 256 CG PRO A 17 7.688 4.594 -1.672 1.00 0.00 C +ATOM 257 CD PRO A 17 7.850 3.156 -2.157 1.00 0.00 C +ATOM 258 HA PRO A 17 7.177 2.582 0.880 1.00 0.00 H +ATOM 259 HB2 PRO A 17 7.056 5.245 0.283 1.00 0.00 H +ATOM 260 HB3 PRO A 17 8.589 4.309 0.258 1.00 0.00 H +ATOM 261 HG2 PRO A 17 6.798 5.040 -2.072 1.00 0.00 H +ATOM 262 HG3 PRO A 17 8.535 5.216 -1.960 1.00 0.00 H +ATOM 263 HD2 PRO A 17 7.432 3.044 -3.139 1.00 0.00 H +ATOM 264 HD3 PRO A 17 8.905 2.879 -2.151 1.00 0.00 H +ATOM 265 N PRO A 18 4.828 3.720 1.386 1.00 0.00 N +ATOM 266 CA PRO A 18 3.415 3.979 1.661 1.00 0.00 C +ATOM 267 C PRO A 18 2.921 5.257 0.956 1.00 0.00 C +ATOM 268 O PRO A 18 3.633 6.262 0.960 1.00 0.00 O +ATOM 269 CB PRO A 18 3.307 4.111 3.185 1.00 0.00 C +ATOM 270 CG PRO A 18 4.701 4.568 3.609 1.00 0.00 C +ATOM 271 CD PRO A 18 5.614 3.867 2.605 1.00 0.00 C +ATOM 272 HA PRO A 18 2.830 3.121 1.340 1.00 0.00 H +ATOM 273 HB2 PRO A 18 2.567 4.840 3.454 1.00 0.00 H +ATOM 274 HB3 PRO A 18 3.099 3.135 3.621 1.00 0.00 H +ATOM 275 HG2 PRO A 18 4.796 5.634 3.537 1.00 0.00 H +ATOM 276 HG3 PRO A 18 4.929 4.279 4.636 1.00 0.00 H +ATOM 277 HD2 PRO A 18 6.488 4.461 2.417 1.00 0.00 H +ATOM 278 HD3 PRO A 18 5.884 2.880 2.982 1.00 0.00 H +ATOM 279 N PRO A 19 1.704 5.254 0.376 1.00 0.00 N +ATOM 280 CA PRO A 19 1.131 6.433 -0.268 1.00 0.00 C +ATOM 281 C PRO A 19 0.578 7.422 0.772 1.00 0.00 C +ATOM 282 O PRO A 19 -0.096 7.022 1.725 1.00 0.00 O +ATOM 283 CB PRO A 19 0.032 5.878 -1.180 1.00 0.00 C +ATOM 284 CG PRO A 19 -0.464 4.639 -0.433 1.00 0.00 C +ATOM 285 CD PRO A 19 0.792 4.121 0.270 1.00 0.00 C +ATOM 286 HA PRO A 19 1.886 6.934 -0.875 1.00 0.00 H +ATOM 287 HB2 PRO A 19 -0.759 6.592 -1.305 1.00 0.00 H +ATOM 288 HB3 PRO A 19 0.474 5.572 -2.129 1.00 0.00 H +ATOM 289 HG2 PRO A 19 -1.223 4.899 0.279 1.00 0.00 H +ATOM 290 HG3 PRO A 19 -0.879 3.897 -1.115 1.00 0.00 H +ATOM 291 HD2 PRO A 19 0.545 3.752 1.247 1.00 0.00 H +ATOM 292 HD3 PRO A 19 1.257 3.344 -0.337 1.00 0.00 H +ATOM 293 N SER A 20 0.825 8.716 0.549 1.00 0.00 N +ATOM 294 CA SER A 20 0.360 9.847 1.362 1.00 0.00 C +ATOM 295 C SER A 20 -0.255 10.948 0.496 1.00 0.00 C +ATOM 296 O SER A 20 0.173 11.092 -0.672 1.00 0.00 O +ATOM 297 CB SER A 20 1.496 10.383 2.241 1.00 0.00 C +ATOM 298 OG SER A 20 2.667 10.641 1.485 1.00 0.00 O +ATOM 299 OXT SER A 20 -1.188 11.592 1.023 1.00 0.00 O +ATOM 300 H SER A 20 1.372 9.005 -0.251 1.00 0.00 H +ATOM 301 HA SER A 20 -0.439 9.514 2.020 1.00 0.00 H +ATOM 302 HB2 SER A 20 1.175 11.295 2.707 1.00 0.00 H +ATOM 303 HB3 SER A 20 1.726 9.639 3.008 1.00 0.00 H +ATOM 304 HG SER A 20 3.313 11.084 2.036 1.00 0.00 H +TER 305 SER A 20 +ENDMDL +MODEL 32 +ATOM 1 N ASN A 1 -6.852 6.802 0.784 1.00 0.00 N +ATOM 2 CA ASN A 1 -7.569 5.905 -0.155 1.00 0.00 C +ATOM 3 C ASN A 1 -6.675 4.784 -0.685 1.00 0.00 C +ATOM 4 O ASN A 1 -6.907 3.637 -0.312 1.00 0.00 O +ATOM 5 CB ASN A 1 -8.306 6.688 -1.259 1.00 0.00 C +ATOM 6 CG ASN A 1 -9.658 7.144 -0.720 1.00 0.00 C +ATOM 7 OD1 ASN A 1 -10.402 6.342 -0.185 1.00 0.00 O +ATOM 8 ND2 ASN A 1 -9.997 8.418 -0.771 1.00 0.00 N +ATOM 9 H1 ASN A 1 -6.406 6.262 1.512 1.00 0.00 H +ATOM 10 H2 ASN A 1 -6.150 7.342 0.294 1.00 0.00 H +ATOM 11 H3 ASN A 1 -7.507 7.441 1.214 1.00 0.00 H +ATOM 12 HA ASN A 1 -8.341 5.383 0.416 1.00 0.00 H +ATOM 13 HB2 ASN A 1 -7.724 7.543 -1.544 1.00 0.00 H +ATOM 14 HB3 ASN A 1 -8.496 6.032 -2.110 1.00 0.00 H +ATOM 15 HD21 ASN A 1 -9.452 9.144 -1.207 1.00 0.00 H +ATOM 16 HD22 ASN A 1 -10.916 8.601 -0.396 1.00 0.00 H +ATOM 17 N LEU A 2 -5.641 5.081 -1.489 1.00 0.00 N +ATOM 18 CA LEU A 2 -4.771 4.070 -2.118 1.00 0.00 C +ATOM 19 C LEU A 2 -4.066 3.118 -1.122 1.00 0.00 C +ATOM 20 O LEU A 2 -3.610 2.044 -1.507 1.00 0.00 O +ATOM 21 CB LEU A 2 -3.736 4.788 -3.009 1.00 0.00 C +ATOM 22 CG LEU A 2 -3.207 3.896 -4.155 1.00 0.00 C +ATOM 23 CD1 LEU A 2 -4.121 3.970 -5.385 1.00 0.00 C +ATOM 24 CD2 LEU A 2 -1.783 4.286 -4.551 1.00 0.00 C +ATOM 25 H LEU A 2 -5.488 6.032 -1.793 1.00 0.00 H +ATOM 26 HA LEU A 2 -5.401 3.449 -2.761 1.00 0.00 H +ATOM 27 HB2 LEU A 2 -4.197 5.657 -3.437 1.00 0.00 H +ATOM 28 HB3 LEU A 2 -2.911 5.107 -2.379 1.00 0.00 H +ATOM 29 HG LEU A 2 -3.172 2.861 -3.826 1.00 0.00 H +ATOM 30 HD11 LEU A 2 -5.104 4.362 -5.124 1.00 0.00 H +ATOM 31 HD12 LEU A 2 -3.683 4.602 -6.157 1.00 0.00 H +ATOM 32 HD13 LEU A 2 -4.253 2.966 -5.790 1.00 0.00 H +ATOM 33 HD21 LEU A 2 -1.718 5.358 -4.736 1.00 0.00 H +ATOM 34 HD22 LEU A 2 -1.099 4.008 -3.752 1.00 0.00 H +ATOM 35 HD23 LEU A 2 -1.488 3.743 -5.449 1.00 0.00 H +ATOM 36 N TYR A 3 -4.017 3.470 0.169 1.00 0.00 N +ATOM 37 CA TYR A 3 -3.452 2.660 1.248 1.00 0.00 C +ATOM 38 C TYR A 3 -4.002 1.221 1.271 1.00 0.00 C +ATOM 39 O TYR A 3 -3.253 0.284 1.527 1.00 0.00 O +ATOM 40 CB TYR A 3 -3.690 3.373 2.590 1.00 0.00 C +ATOM 41 CG TYR A 3 -2.578 3.161 3.597 1.00 0.00 C +ATOM 42 CD1 TYR A 3 -2.514 1.966 4.339 1.00 0.00 C +ATOM 43 CD2 TYR A 3 -1.601 4.161 3.787 1.00 0.00 C +ATOM 44 CE1 TYR A 3 -1.479 1.768 5.270 1.00 0.00 C +ATOM 45 CE2 TYR A 3 -0.567 3.969 4.722 1.00 0.00 C +ATOM 46 CZ TYR A 3 -0.503 2.769 5.464 1.00 0.00 C +ATOM 47 OH TYR A 3 0.485 2.574 6.378 1.00 0.00 O +ATOM 48 H TYR A 3 -4.399 4.368 0.410 1.00 0.00 H +ATOM 49 HA TYR A 3 -2.376 2.600 1.088 1.00 0.00 H +ATOM 50 HB2 TYR A 3 -3.782 4.426 2.403 1.00 0.00 H +ATOM 51 HB3 TYR A 3 -4.635 3.037 3.021 1.00 0.00 H +ATOM 52 HD1 TYR A 3 -3.259 1.196 4.191 1.00 0.00 H +ATOM 53 HD2 TYR A 3 -1.635 5.081 3.217 1.00 0.00 H +ATOM 54 HE1 TYR A 3 -1.416 0.856 5.843 1.00 0.00 H +ATOM 55 HE2 TYR A 3 0.180 4.734 4.872 1.00 0.00 H +ATOM 56 HH TYR A 3 0.286 3.012 7.208 1.00 0.00 H +ATOM 57 N ILE A 4 -5.291 1.031 0.946 1.00 0.00 N +ATOM 58 CA ILE A 4 -5.931 -0.293 0.853 1.00 0.00 C +ATOM 59 C ILE A 4 -5.280 -1.132 -0.262 1.00 0.00 C +ATOM 60 O ILE A 4 -4.975 -2.308 -0.057 1.00 0.00 O +ATOM 61 CB ILE A 4 -7.452 -0.139 0.612 1.00 0.00 C +ATOM 62 CG1 ILE A 4 -8.150 0.694 1.716 1.00 0.00 C +ATOM 63 CG2 ILE A 4 -8.133 -1.519 0.519 1.00 0.00 C +ATOM 64 CD1 ILE A 4 -9.405 1.406 1.195 1.00 0.00 C +ATOM 65 H ILE A 4 -5.843 1.851 0.722 1.00 0.00 H +ATOM 66 HA ILE A 4 -5.780 -0.822 1.794 1.00 0.00 H +ATOM 67 HB ILE A 4 -7.585 0.372 -0.343 1.00 0.00 H +ATOM 68 HG12 ILE A 4 -8.432 0.039 2.518 1.00 0.00 H +ATOM 69 HG13 ILE A 4 -7.485 1.468 2.099 1.00 0.00 H +ATOM 70 HG21 ILE A 4 -7.763 -2.077 -0.343 1.00 0.00 H +ATOM 71 HG22 ILE A 4 -7.934 -2.097 1.423 1.00 0.00 H +ATOM 72 HG23 ILE A 4 -9.211 -1.406 0.405 1.00 0.00 H +ATOM 73 HD11 ILE A 4 -9.143 2.050 0.354 1.00 0.00 H +ATOM 74 HD12 ILE A 4 -10.152 0.681 0.875 1.00 0.00 H +ATOM 75 HD13 ILE A 4 -9.826 2.022 1.989 1.00 0.00 H +ATOM 76 N GLN A 5 -5.043 -0.527 -1.433 1.00 0.00 N +ATOM 77 CA GLN A 5 -4.319 -1.165 -2.532 1.00 0.00 C +ATOM 78 C GLN A 5 -2.856 -1.426 -2.147 1.00 0.00 C +ATOM 79 O GLN A 5 -2.382 -2.537 -2.342 1.00 0.00 O +ATOM 80 CB GLN A 5 -4.432 -0.330 -3.822 1.00 0.00 C +ATOM 81 CG GLN A 5 -5.812 -0.453 -4.498 1.00 0.00 C +ATOM 82 CD GLN A 5 -6.574 0.869 -4.544 1.00 0.00 C +ATOM 83 OE1 GLN A 5 -6.511 1.619 -5.500 1.00 0.00 O +ATOM 84 NE2 GLN A 5 -7.337 1.205 -3.520 1.00 0.00 N +ATOM 85 H GLN A 5 -5.183 0.474 -1.483 1.00 0.00 H +ATOM 86 HA GLN A 5 -4.763 -2.143 -2.723 1.00 0.00 H +ATOM 87 HB2 GLN A 5 -4.261 0.701 -3.579 1.00 0.00 H +ATOM 88 HB3 GLN A 5 -3.682 -0.687 -4.528 1.00 0.00 H +ATOM 89 HG2 GLN A 5 -5.671 -0.801 -5.503 1.00 0.00 H +ATOM 90 HG3 GLN A 5 -6.424 -1.202 -3.994 1.00 0.00 H +ATOM 91 HE21 GLN A 5 -7.488 0.604 -2.731 1.00 0.00 H +ATOM 92 HE22 GLN A 5 -7.851 2.055 -3.678 1.00 0.00 H +ATOM 93 N TRP A 6 -2.161 -0.464 -1.529 1.00 0.00 N +ATOM 94 CA TRP A 6 -0.783 -0.667 -1.057 1.00 0.00 C +ATOM 95 C TRP A 6 -0.645 -1.797 -0.021 1.00 0.00 C +ATOM 96 O TRP A 6 0.314 -2.570 -0.062 1.00 0.00 O +ATOM 97 CB TRP A 6 -0.249 0.652 -0.495 1.00 0.00 C +ATOM 98 CG TRP A 6 1.135 0.570 0.072 1.00 0.00 C +ATOM 99 CD1 TRP A 6 2.275 0.562 -0.652 1.00 0.00 C +ATOM 100 CD2 TRP A 6 1.545 0.458 1.469 1.00 0.00 C +ATOM 101 NE1 TRP A 6 3.360 0.439 0.197 1.00 0.00 N +ATOM 102 CE2 TRP A 6 2.968 0.390 1.513 1.00 0.00 C +ATOM 103 CE3 TRP A 6 0.867 0.423 2.708 1.00 0.00 C +ATOM 104 CZ2 TRP A 6 3.691 0.320 2.711 1.00 0.00 C +ATOM 105 CZ3 TRP A 6 1.580 0.342 3.919 1.00 0.00 C +ATOM 106 CH2 TRP A 6 2.987 0.304 3.924 1.00 0.00 C +ATOM 107 H TRP A 6 -2.607 0.442 -1.410 1.00 0.00 H +ATOM 108 HA TRP A 6 -0.164 -0.953 -1.911 1.00 0.00 H +ATOM 109 HB2 TRP A 6 -0.245 1.376 -1.287 1.00 0.00 H +ATOM 110 HB3 TRP A 6 -0.917 0.998 0.291 1.00 0.00 H +ATOM 111 HD1 TRP A 6 2.321 0.634 -1.731 1.00 0.00 H +ATOM 112 HE1 TRP A 6 4.338 0.431 -0.094 1.00 0.00 H +ATOM 113 HE3 TRP A 6 -0.213 0.476 2.719 1.00 0.00 H +ATOM 114 HZ2 TRP A 6 4.771 0.289 2.684 1.00 0.00 H +ATOM 115 HZ3 TRP A 6 1.047 0.329 4.859 1.00 0.00 H +ATOM 116 HH2 TRP A 6 3.522 0.272 4.860 1.00 0.00 H +ATOM 117 N LEU A 7 -1.613 -1.946 0.894 1.00 0.00 N +ATOM 118 CA LEU A 7 -1.654 -3.093 1.806 1.00 0.00 C +ATOM 119 C LEU A 7 -1.835 -4.426 1.058 1.00 0.00 C +ATOM 120 O LEU A 7 -1.246 -5.420 1.478 1.00 0.00 O +ATOM 121 CB LEU A 7 -2.752 -2.898 2.866 1.00 0.00 C +ATOM 122 CG LEU A 7 -2.416 -1.848 3.943 1.00 0.00 C +ATOM 123 CD1 LEU A 7 -3.648 -1.629 4.827 1.00 0.00 C +ATOM 124 CD2 LEU A 7 -1.246 -2.272 4.838 1.00 0.00 C +ATOM 125 H LEU A 7 -2.340 -1.237 0.952 1.00 0.00 H +ATOM 126 HA LEU A 7 -0.691 -3.164 2.309 1.00 0.00 H +ATOM 127 HB2 LEU A 7 -3.651 -2.591 2.366 1.00 0.00 H +ATOM 128 HB3 LEU A 7 -2.928 -3.852 3.365 1.00 0.00 H +ATOM 129 HG LEU A 7 -2.156 -0.903 3.474 1.00 0.00 H +ATOM 130 HD11 LEU A 7 -4.482 -1.286 4.215 1.00 0.00 H +ATOM 131 HD12 LEU A 7 -3.923 -2.562 5.321 1.00 0.00 H +ATOM 132 HD13 LEU A 7 -3.435 -0.875 5.585 1.00 0.00 H +ATOM 133 HD21 LEU A 7 -1.429 -3.262 5.255 1.00 0.00 H +ATOM 134 HD22 LEU A 7 -0.321 -2.286 4.263 1.00 0.00 H +ATOM 135 HD23 LEU A 7 -1.123 -1.560 5.652 1.00 0.00 H +ATOM 136 N LYS A 8 -2.573 -4.450 -0.065 1.00 0.00 N +ATOM 137 CA LYS A 8 -2.753 -5.637 -0.920 1.00 0.00 C +ATOM 138 C LYS A 8 -1.423 -6.194 -1.444 1.00 0.00 C +ATOM 139 O LYS A 8 -1.285 -7.410 -1.532 1.00 0.00 O +ATOM 140 CB LYS A 8 -3.680 -5.295 -2.099 1.00 0.00 C +ATOM 141 CG LYS A 8 -4.298 -6.504 -2.814 1.00 0.00 C +ATOM 142 CD LYS A 8 -5.536 -7.065 -2.098 1.00 0.00 C +ATOM 143 CE LYS A 8 -6.303 -8.006 -3.036 1.00 0.00 C +ATOM 144 NZ LYS A 8 -7.007 -7.254 -4.106 1.00 0.00 N +ATOM 145 H LYS A 8 -2.995 -3.577 -0.362 1.00 0.00 H +ATOM 146 HA LYS A 8 -3.211 -6.421 -0.316 1.00 0.00 H +ATOM 147 HB2 LYS A 8 -4.480 -4.685 -1.727 1.00 0.00 H +ATOM 148 HB3 LYS A 8 -3.094 -4.770 -2.849 1.00 0.00 H +ATOM 149 HG2 LYS A 8 -4.583 -6.205 -3.804 1.00 0.00 H +ATOM 150 HG3 LYS A 8 -3.557 -7.296 -2.934 1.00 0.00 H +ATOM 151 HD2 LYS A 8 -5.227 -7.608 -1.225 1.00 0.00 H +ATOM 152 HD3 LYS A 8 -6.190 -6.253 -1.779 1.00 0.00 H +ATOM 153 HE2 LYS A 8 -5.610 -8.689 -3.488 1.00 0.00 H +ATOM 154 HE3 LYS A 8 -7.027 -8.580 -2.453 1.00 0.00 H +ATOM 155 HZ1 LYS A 8 -7.790 -6.744 -3.720 1.00 0.00 H +ATOM 156 HZ2 LYS A 8 -6.372 -6.589 -4.533 1.00 0.00 H +ATOM 157 HZ3 LYS A 8 -7.345 -7.883 -4.822 1.00 0.00 H +ATOM 158 N ASP A 9 -0.447 -5.329 -1.753 1.00 0.00 N +ATOM 159 CA ASP A 9 0.910 -5.749 -2.133 1.00 0.00 C +ATOM 160 C ASP A 9 1.670 -6.459 -0.990 1.00 0.00 C +ATOM 161 O ASP A 9 2.622 -7.186 -1.270 1.00 0.00 O +ATOM 162 CB ASP A 9 1.736 -4.535 -2.594 1.00 0.00 C +ATOM 163 CG ASP A 9 1.220 -3.854 -3.861 1.00 0.00 C +ATOM 164 OD1 ASP A 9 1.591 -4.337 -4.953 1.00 0.00 O +ATOM 165 OD2 ASP A 9 0.541 -2.814 -3.721 1.00 0.00 O +ATOM 166 H ASP A 9 -0.655 -4.337 -1.719 1.00 0.00 H +ATOM 167 HA ASP A 9 0.844 -6.450 -2.966 1.00 0.00 H +ATOM 168 HB2 ASP A 9 1.736 -3.811 -1.802 1.00 0.00 H +ATOM 169 HB3 ASP A 9 2.749 -4.874 -2.808 1.00 0.00 H +ATOM 170 N GLY A 10 1.257 -6.258 0.274 1.00 0.00 N +ATOM 171 CA GLY A 10 1.961 -6.712 1.480 1.00 0.00 C +ATOM 172 C GLY A 10 2.411 -5.586 2.425 1.00 0.00 C +ATOM 173 O GLY A 10 3.160 -5.849 3.367 1.00 0.00 O +ATOM 174 H GLY A 10 0.383 -5.760 0.408 1.00 0.00 H +ATOM 175 HA2 GLY A 10 1.304 -7.377 2.037 1.00 0.00 H +ATOM 176 HA3 GLY A 10 2.850 -7.277 1.196 1.00 0.00 H +ATOM 177 N GLY A 11 2.008 -4.326 2.183 1.00 0.00 N +ATOM 178 CA GLY A 11 2.450 -3.174 2.973 1.00 0.00 C +ATOM 179 C GLY A 11 3.980 -2.984 2.932 1.00 0.00 C +ATOM 180 O GLY A 11 4.559 -3.040 1.839 1.00 0.00 O +ATOM 181 H GLY A 11 1.456 -4.151 1.354 1.00 0.00 H +ATOM 182 HA2 GLY A 11 1.984 -2.274 2.571 1.00 0.00 H +ATOM 183 HA3 GLY A 11 2.101 -3.314 3.994 1.00 0.00 H +ATOM 184 N PRO A 12 4.665 -2.766 4.078 1.00 0.00 N +ATOM 185 CA PRO A 12 6.116 -2.537 4.125 1.00 0.00 C +ATOM 186 C PRO A 12 6.959 -3.639 3.466 1.00 0.00 C +ATOM 187 O PRO A 12 8.019 -3.357 2.912 1.00 0.00 O +ATOM 188 CB PRO A 12 6.477 -2.417 5.612 1.00 0.00 C +ATOM 189 CG PRO A 12 5.164 -2.042 6.293 1.00 0.00 C +ATOM 190 CD PRO A 12 4.110 -2.726 5.425 1.00 0.00 C +ATOM 191 HA PRO A 12 6.331 -1.590 3.630 1.00 0.00 H +ATOM 192 HB2 PRO A 12 6.847 -3.351 5.989 1.00 0.00 H +ATOM 193 HB3 PRO A 12 7.243 -1.658 5.777 1.00 0.00 H +ATOM 194 HG2 PRO A 12 5.133 -2.413 7.299 1.00 0.00 H +ATOM 195 HG3 PRO A 12 5.028 -0.961 6.254 1.00 0.00 H +ATOM 196 HD2 PRO A 12 3.922 -3.721 5.781 1.00 0.00 H +ATOM 197 HD3 PRO A 12 3.178 -2.162 5.468 1.00 0.00 H +ATOM 198 N SER A 13 6.486 -4.890 3.490 1.00 0.00 N +ATOM 199 CA SER A 13 7.202 -6.073 2.992 1.00 0.00 C +ATOM 200 C SER A 13 7.143 -6.241 1.464 1.00 0.00 C +ATOM 201 O SER A 13 7.476 -7.309 0.957 1.00 0.00 O +ATOM 202 CB SER A 13 6.669 -7.320 3.710 1.00 0.00 C +ATOM 203 OG SER A 13 6.903 -7.208 5.102 1.00 0.00 O +ATOM 204 H SER A 13 5.586 -5.054 3.924 1.00 0.00 H +ATOM 205 HA SER A 13 8.256 -5.969 3.247 1.00 0.00 H +ATOM 206 HB2 SER A 13 5.615 -7.410 3.532 1.00 0.00 H +ATOM 207 HB3 SER A 13 7.175 -8.210 3.337 1.00 0.00 H +ATOM 208 HG SER A 13 7.852 -7.195 5.257 1.00 0.00 H +ATOM 209 N SER A 14 6.739 -5.198 0.725 1.00 0.00 N +ATOM 210 CA SER A 14 6.405 -5.266 -0.708 1.00 0.00 C +ATOM 211 C SER A 14 7.371 -4.503 -1.623 1.00 0.00 C +ATOM 212 O SER A 14 7.116 -4.406 -2.826 1.00 0.00 O +ATOM 213 CB SER A 14 4.983 -4.759 -0.973 1.00 0.00 C +ATOM 214 OG SER A 14 4.134 -4.862 0.138 1.00 0.00 O +ATOM 215 H SER A 14 6.478 -4.368 1.241 1.00 0.00 H +ATOM 216 HA SER A 14 6.427 -6.311 -1.020 1.00 0.00 H +ATOM 217 HB2 SER A 14 5.039 -3.727 -1.263 1.00 0.00 H +ATOM 218 HB3 SER A 14 4.571 -5.340 -1.796 1.00 0.00 H +ATOM 219 HG SER A 14 4.313 -4.115 0.764 1.00 0.00 H +ATOM 220 N GLY A 15 8.442 -3.922 -1.059 1.00 0.00 N +ATOM 221 CA GLY A 15 9.474 -3.182 -1.792 1.00 0.00 C +ATOM 222 C GLY A 15 9.029 -1.817 -2.334 1.00 0.00 C +ATOM 223 O GLY A 15 9.636 -1.322 -3.282 1.00 0.00 O +ATOM 224 H GLY A 15 8.567 -4.078 -0.067 1.00 0.00 H +ATOM 225 HA2 GLY A 15 10.326 -3.018 -1.132 1.00 0.00 H +ATOM 226 HA3 GLY A 15 9.816 -3.786 -2.634 1.00 0.00 H +ATOM 227 N ARG A 16 7.971 -1.217 -1.769 1.00 0.00 N +ATOM 228 CA ARG A 16 7.354 0.032 -2.244 1.00 0.00 C +ATOM 229 C ARG A 16 6.844 0.894 -1.071 1.00 0.00 C +ATOM 230 O ARG A 16 6.204 0.347 -0.168 1.00 0.00 O +ATOM 231 CB ARG A 16 6.234 -0.313 -3.248 1.00 0.00 C +ATOM 232 CG ARG A 16 5.064 -1.085 -2.611 1.00 0.00 C +ATOM 233 CD ARG A 16 4.139 -1.794 -3.605 1.00 0.00 C +ATOM 234 NE ARG A 16 4.801 -2.956 -4.225 1.00 0.00 N +ATOM 235 CZ ARG A 16 5.278 -3.071 -5.455 1.00 0.00 C +ATOM 236 NH1 ARG A 16 5.210 -2.093 -6.329 1.00 0.00 N +ATOM 237 NH2 ARG A 16 5.864 -4.186 -5.822 1.00 0.00 N +ATOM 238 H ARG A 16 7.549 -1.675 -0.973 1.00 0.00 H +ATOM 239 HA ARG A 16 8.120 0.589 -2.783 1.00 0.00 H +ATOM 240 HB2 ARG A 16 5.854 0.601 -3.662 1.00 0.00 H +ATOM 241 HB3 ARG A 16 6.672 -0.909 -4.049 1.00 0.00 H +ATOM 242 HG2 ARG A 16 5.474 -1.825 -1.951 1.00 0.00 H +ATOM 243 HG3 ARG A 16 4.465 -0.382 -2.044 1.00 0.00 H +ATOM 244 HD2 ARG A 16 3.261 -2.128 -3.087 1.00 0.00 H +ATOM 245 HD3 ARG A 16 3.785 -1.084 -4.353 1.00 0.00 H +ATOM 246 HE ARG A 16 4.929 -3.770 -3.646 1.00 0.00 H +ATOM 247 HH11 ARG A 16 4.742 -1.252 -6.044 1.00 0.00 H +ATOM 248 HH12 ARG A 16 5.588 -2.189 -7.251 1.00 0.00 H +ATOM 249 HH21 ARG A 16 5.998 -4.910 -5.134 1.00 0.00 H +ATOM 250 HH22 ARG A 16 6.200 -4.304 -6.756 1.00 0.00 H +ATOM 251 N PRO A 17 7.087 2.220 -1.065 1.00 0.00 N +ATOM 252 CA PRO A 17 6.655 3.106 0.019 1.00 0.00 C +ATOM 253 C PRO A 17 5.123 3.267 0.052 1.00 0.00 C +ATOM 254 O PRO A 17 4.470 3.043 -0.971 1.00 0.00 O +ATOM 255 CB PRO A 17 7.355 4.442 -0.256 1.00 0.00 C +ATOM 256 CG PRO A 17 7.509 4.455 -1.776 1.00 0.00 C +ATOM 257 CD PRO A 17 7.758 2.986 -2.109 1.00 0.00 C +ATOM 258 HA PRO A 17 6.997 2.705 0.974 1.00 0.00 H +ATOM 259 HB2 PRO A 17 6.753 5.266 0.076 1.00 0.00 H +ATOM 260 HB3 PRO A 17 8.342 4.438 0.209 1.00 0.00 H +ATOM 261 HG2 PRO A 17 6.616 4.812 -2.251 1.00 0.00 H +ATOM 262 HG3 PRO A 17 8.338 5.087 -2.096 1.00 0.00 H +ATOM 263 HD2 PRO A 17 7.347 2.746 -3.071 1.00 0.00 H +ATOM 264 HD3 PRO A 17 8.828 2.777 -2.079 1.00 0.00 H +ATOM 265 N PRO A 18 4.537 3.673 1.196 1.00 0.00 N +ATOM 266 CA PRO A 18 3.102 3.903 1.304 1.00 0.00 C +ATOM 267 C PRO A 18 2.667 5.149 0.509 1.00 0.00 C +ATOM 268 O PRO A 18 3.454 6.085 0.353 1.00 0.00 O +ATOM 269 CB PRO A 18 2.819 4.069 2.799 1.00 0.00 C +ATOM 270 CG PRO A 18 4.134 4.621 3.345 1.00 0.00 C +ATOM 271 CD PRO A 18 5.189 3.944 2.471 1.00 0.00 C +ATOM 272 HA PRO A 18 2.575 3.028 0.934 1.00 0.00 H +ATOM 273 HB2 PRO A 18 2.014 4.759 2.964 1.00 0.00 H +ATOM 274 HB3 PRO A 18 2.618 3.095 3.244 1.00 0.00 H +ATOM 275 HG2 PRO A 18 4.176 5.688 3.241 1.00 0.00 H +ATOM 276 HG3 PRO A 18 4.266 4.380 4.399 1.00 0.00 H +ATOM 277 HD2 PRO A 18 6.030 4.595 2.329 1.00 0.00 H +ATOM 278 HD3 PRO A 18 5.495 3.002 2.927 1.00 0.00 H +ATOM 279 N PRO A 19 1.416 5.184 0.020 1.00 0.00 N +ATOM 280 CA PRO A 19 0.856 6.338 -0.670 1.00 0.00 C +ATOM 281 C PRO A 19 0.274 7.370 0.308 1.00 0.00 C +ATOM 282 O PRO A 19 -0.285 7.006 1.346 1.00 0.00 O +ATOM 283 CB PRO A 19 -0.241 5.744 -1.552 1.00 0.00 C +ATOM 284 CG PRO A 19 -0.772 4.583 -0.706 1.00 0.00 C +ATOM 285 CD PRO A 19 0.476 4.073 0.003 1.00 0.00 C +ATOM 286 HA PRO A 19 1.613 6.813 -1.296 1.00 0.00 H +ATOM 287 HB2 PRO A 19 -1.012 6.464 -1.746 1.00 0.00 H +ATOM 288 HB3 PRO A 19 0.214 5.358 -2.465 1.00 0.00 H +ATOM 289 HG2 PRO A 19 -1.504 4.924 0.000 1.00 0.00 H +ATOM 290 HG3 PRO A 19 -1.221 3.803 -1.320 1.00 0.00 H +ATOM 291 HD2 PRO A 19 0.238 3.772 1.005 1.00 0.00 H +ATOM 292 HD3 PRO A 19 0.911 3.257 -0.574 1.00 0.00 H +ATOM 293 N SER A 20 0.317 8.642 -0.115 1.00 0.00 N +ATOM 294 CA SER A 20 -0.113 9.835 0.640 1.00 0.00 C +ATOM 295 C SER A 20 0.639 10.031 1.968 1.00 0.00 C +ATOM 296 O SER A 20 0.066 10.720 2.840 1.00 0.00 O +ATOM 297 CB SER A 20 -1.636 9.826 0.849 1.00 0.00 C +ATOM 298 OG SER A 20 -2.305 9.711 -0.395 1.00 0.00 O +ATOM 299 OXT SER A 20 1.796 9.565 2.056 1.00 0.00 O +ATOM 300 H SER A 20 0.838 8.806 -0.960 1.00 0.00 H +ATOM 301 HA SER A 20 0.140 10.716 0.055 1.00 0.00 H +ATOM 302 HB2 SER A 20 -1.902 8.994 1.472 1.00 0.00 H +ATOM 303 HB3 SER A 20 -1.934 10.755 1.339 1.00 0.00 H +ATOM 304 HG SER A 20 -1.851 10.287 -1.014 1.00 0.00 H +TER 305 SER A 20 +ENDMDL +MODEL 33 +ATOM 1 N ASN A 1 -9.696 2.810 -1.214 1.00 0.00 N +ATOM 2 CA ASN A 1 -8.702 3.862 -0.904 1.00 0.00 C +ATOM 3 C ASN A 1 -7.320 3.416 -1.392 1.00 0.00 C +ATOM 4 O ASN A 1 -7.058 2.216 -1.401 1.00 0.00 O +ATOM 5 CB ASN A 1 -8.682 4.180 0.603 1.00 0.00 C +ATOM 6 CG ASN A 1 -7.901 5.460 0.875 1.00 0.00 C +ATOM 7 OD1 ASN A 1 -6.683 5.431 0.961 1.00 0.00 O +ATOM 8 ND2 ASN A 1 -8.563 6.601 0.949 1.00 0.00 N +ATOM 9 H1 ASN A 1 -9.798 2.712 -2.215 1.00 0.00 H +ATOM 10 H2 ASN A 1 -9.371 1.928 -0.840 1.00 0.00 H +ATOM 11 H3 ASN A 1 -10.593 3.041 -0.806 1.00 0.00 H +ATOM 12 HA ASN A 1 -8.978 4.770 -1.442 1.00 0.00 H +ATOM 13 HB2 ASN A 1 -9.690 4.302 0.950 1.00 0.00 H +ATOM 14 HB3 ASN A 1 -8.208 3.365 1.150 1.00 0.00 H +ATOM 15 HD21 ASN A 1 -9.568 6.669 0.919 1.00 0.00 H +ATOM 16 HD22 ASN A 1 -7.997 7.418 1.129 1.00 0.00 H +ATOM 17 N LEU A 2 -6.450 4.362 -1.773 1.00 0.00 N +ATOM 18 CA LEU A 2 -5.070 4.110 -2.206 1.00 0.00 C +ATOM 19 C LEU A 2 -4.261 3.274 -1.198 1.00 0.00 C +ATOM 20 O LEU A 2 -3.535 2.363 -1.600 1.00 0.00 O +ATOM 21 CB LEU A 2 -4.351 5.440 -2.547 1.00 0.00 C +ATOM 22 CG LEU A 2 -4.514 6.597 -1.528 1.00 0.00 C +ATOM 23 CD1 LEU A 2 -3.229 7.411 -1.372 1.00 0.00 C +ATOM 24 CD2 LEU A 2 -5.623 7.572 -1.951 1.00 0.00 C +ATOM 25 H LEU A 2 -6.706 5.331 -1.654 1.00 0.00 H +ATOM 26 HA LEU A 2 -5.109 3.519 -3.122 1.00 0.00 H +ATOM 27 HB2 LEU A 2 -3.303 5.230 -2.636 1.00 0.00 H +ATOM 28 HB3 LEU A 2 -4.699 5.782 -3.523 1.00 0.00 H +ATOM 29 HG LEU A 2 -4.759 6.191 -0.552 1.00 0.00 H +ATOM 30 HD11 LEU A 2 -2.500 6.830 -0.816 1.00 0.00 H +ATOM 31 HD12 LEU A 2 -2.824 7.681 -2.347 1.00 0.00 H +ATOM 32 HD13 LEU A 2 -3.422 8.320 -0.800 1.00 0.00 H +ATOM 33 HD21 LEU A 2 -5.295 8.148 -2.819 1.00 0.00 H +ATOM 34 HD22 LEU A 2 -6.539 7.048 -2.209 1.00 0.00 H +ATOM 35 HD23 LEU A 2 -5.828 8.260 -1.132 1.00 0.00 H +ATOM 36 N TYR A 3 -4.415 3.532 0.107 1.00 0.00 N +ATOM 37 CA TYR A 3 -3.672 2.802 1.139 1.00 0.00 C +ATOM 38 C TYR A 3 -4.041 1.307 1.188 1.00 0.00 C +ATOM 39 O TYR A 3 -3.171 0.461 1.386 1.00 0.00 O +ATOM 40 CB TYR A 3 -3.879 3.480 2.497 1.00 0.00 C +ATOM 41 CG TYR A 3 -2.767 3.185 3.485 1.00 0.00 C +ATOM 42 CD1 TYR A 3 -2.814 2.034 4.294 1.00 0.00 C +ATOM 43 CD2 TYR A 3 -1.673 4.066 3.584 1.00 0.00 C +ATOM 44 CE1 TYR A 3 -1.769 1.770 5.202 1.00 0.00 C +ATOM 45 CE2 TYR A 3 -0.633 3.814 4.497 1.00 0.00 C +ATOM 46 CZ TYR A 3 -0.678 2.659 5.305 1.00 0.00 C +ATOM 47 OH TYR A 3 0.328 2.397 6.181 1.00 0.00 O +ATOM 48 H TYR A 3 -5.030 4.292 0.388 1.00 0.00 H +ATOM 49 HA TYR A 3 -2.611 2.866 0.893 1.00 0.00 H +ATOM 50 HB2 TYR A 3 -3.928 4.541 2.345 1.00 0.00 H +ATOM 51 HB3 TYR A 3 -4.839 3.176 2.920 1.00 0.00 H +ATOM 52 HD1 TYR A 3 -3.646 1.348 4.217 1.00 0.00 H +ATOM 53 HD2 TYR A 3 -1.623 4.947 2.966 1.00 0.00 H +ATOM 54 HE1 TYR A 3 -1.786 0.898 5.835 1.00 0.00 H +ATOM 55 HE2 TYR A 3 0.183 4.517 4.582 1.00 0.00 H +ATOM 56 HH TYR A 3 1.000 3.080 6.149 1.00 0.00 H +ATOM 57 N ILE A 4 -5.317 0.964 0.945 1.00 0.00 N +ATOM 58 CA ILE A 4 -5.797 -0.427 0.890 1.00 0.00 C +ATOM 59 C ILE A 4 -5.106 -1.182 -0.260 1.00 0.00 C +ATOM 60 O ILE A 4 -4.649 -2.312 -0.079 1.00 0.00 O +ATOM 61 CB ILE A 4 -7.343 -0.481 0.776 1.00 0.00 C +ATOM 62 CG1 ILE A 4 -8.026 0.176 2.003 1.00 0.00 C +ATOM 63 CG2 ILE A 4 -7.809 -1.944 0.634 1.00 0.00 C +ATOM 64 CD1 ILE A 4 -9.518 0.486 1.806 1.00 0.00 C +ATOM 65 H ILE A 4 -5.958 1.710 0.720 1.00 0.00 H +ATOM 66 HA ILE A 4 -5.510 -0.925 1.817 1.00 0.00 H +ATOM 67 HB ILE A 4 -7.647 0.059 -0.122 1.00 0.00 H +ATOM 68 HG12 ILE A 4 -7.929 -0.490 2.838 1.00 0.00 H +ATOM 69 HG13 ILE A 4 -7.538 1.122 2.236 1.00 0.00 H +ATOM 70 HG21 ILE A 4 -7.478 -2.358 -0.319 1.00 0.00 H +ATOM 71 HG22 ILE A 4 -7.398 -2.547 1.445 1.00 0.00 H +ATOM 72 HG23 ILE A 4 -8.894 -2.016 0.659 1.00 0.00 H +ATOM 73 HD11 ILE A 4 -9.642 1.219 1.013 1.00 0.00 H +ATOM 74 HD12 ILE A 4 -10.080 -0.412 1.556 1.00 0.00 H +ATOM 75 HD13 ILE A 4 -9.924 0.899 2.728 1.00 0.00 H +ATOM 76 N GLN A 5 -4.987 -0.542 -1.429 1.00 0.00 N +ATOM 77 CA GLN A 5 -4.265 -1.071 -2.589 1.00 0.00 C +ATOM 78 C GLN A 5 -2.780 -1.329 -2.278 1.00 0.00 C +ATOM 79 O GLN A 5 -2.258 -2.372 -2.663 1.00 0.00 O +ATOM 80 CB GLN A 5 -4.444 -0.110 -3.783 1.00 0.00 C +ATOM 81 CG GLN A 5 -5.274 -0.705 -4.937 1.00 0.00 C +ATOM 82 CD GLN A 5 -4.406 -1.168 -6.106 1.00 0.00 C +ATOM 83 OE1 GLN A 5 -3.743 -0.382 -6.761 1.00 0.00 O +ATOM 84 NE2 GLN A 5 -4.396 -2.444 -6.437 1.00 0.00 N +ATOM 85 H GLN A 5 -5.362 0.397 -1.487 1.00 0.00 H +ATOM 86 HA GLN A 5 -4.696 -2.043 -2.836 1.00 0.00 H +ATOM 87 HB2 GLN A 5 -4.937 0.777 -3.433 1.00 0.00 H +ATOM 88 HB3 GLN A 5 -3.468 0.199 -4.159 1.00 0.00 H +ATOM 89 HG2 GLN A 5 -5.827 -1.546 -4.565 1.00 0.00 H +ATOM 90 HG3 GLN A 5 -5.939 0.070 -5.317 1.00 0.00 H +ATOM 91 HE21 GLN A 5 -4.933 -3.137 -5.951 1.00 0.00 H +ATOM 92 HE22 GLN A 5 -3.802 -2.637 -7.226 1.00 0.00 H +ATOM 93 N TRP A 6 -2.110 -0.425 -1.550 1.00 0.00 N +ATOM 94 CA TRP A 6 -0.735 -0.642 -1.083 1.00 0.00 C +ATOM 95 C TRP A 6 -0.618 -1.798 -0.074 1.00 0.00 C +ATOM 96 O TRP A 6 0.284 -2.632 -0.196 1.00 0.00 O +ATOM 97 CB TRP A 6 -0.178 0.660 -0.502 1.00 0.00 C +ATOM 98 CG TRP A 6 1.220 0.560 0.030 1.00 0.00 C +ATOM 99 CD1 TRP A 6 2.344 0.499 -0.720 1.00 0.00 C +ATOM 100 CD2 TRP A 6 1.660 0.470 1.420 1.00 0.00 C +ATOM 101 NE1 TRP A 6 3.446 0.394 0.108 1.00 0.00 N +ATOM 102 CE2 TRP A 6 3.084 0.389 1.433 1.00 0.00 C +ATOM 103 CE3 TRP A 6 1.008 0.446 2.674 1.00 0.00 C +ATOM 104 CZ2 TRP A 6 3.829 0.330 2.618 1.00 0.00 C +ATOM 105 CZ3 TRP A 6 1.746 0.354 3.871 1.00 0.00 C +ATOM 106 CH2 TRP A 6 3.152 0.312 3.847 1.00 0.00 C +ATOM 107 H TRP A 6 -2.590 0.437 -1.304 1.00 0.00 H +ATOM 108 HA TRP A 6 -0.120 -0.916 -1.942 1.00 0.00 H +ATOM 109 HB2 TRP A 6 -0.189 1.403 -1.276 1.00 0.00 H +ATOM 110 HB3 TRP A 6 -0.826 1.000 0.307 1.00 0.00 H +ATOM 111 HD1 TRP A 6 2.370 0.522 -1.801 1.00 0.00 H +ATOM 112 HE1 TRP A 6 4.422 0.342 -0.195 1.00 0.00 H +ATOM 113 HE3 TRP A 6 -0.071 0.498 2.709 1.00 0.00 H +ATOM 114 HZ2 TRP A 6 4.908 0.276 2.569 1.00 0.00 H +ATOM 115 HZ3 TRP A 6 1.228 0.327 4.819 1.00 0.00 H +ATOM 116 HH2 TRP A 6 3.709 0.259 4.771 1.00 0.00 H +ATOM 117 N LEU A 7 -1.541 -1.889 0.896 1.00 0.00 N +ATOM 118 CA LEU A 7 -1.582 -3.011 1.838 1.00 0.00 C +ATOM 119 C LEU A 7 -1.783 -4.360 1.136 1.00 0.00 C +ATOM 120 O LEU A 7 -1.117 -5.321 1.517 1.00 0.00 O +ATOM 121 CB LEU A 7 -2.666 -2.803 2.908 1.00 0.00 C +ATOM 122 CG LEU A 7 -2.354 -1.713 3.950 1.00 0.00 C +ATOM 123 CD1 LEU A 7 -3.542 -1.608 4.912 1.00 0.00 C +ATOM 124 CD2 LEU A 7 -1.090 -2.018 4.764 1.00 0.00 C +ATOM 125 H LEU A 7 -2.233 -1.146 0.975 1.00 0.00 H +ATOM 126 HA LEU A 7 -0.612 -3.079 2.329 1.00 0.00 H +ATOM 127 HB2 LEU A 7 -3.578 -2.536 2.410 1.00 0.00 H +ATOM 128 HB3 LEU A 7 -2.803 -3.746 3.442 1.00 0.00 H +ATOM 129 HG LEU A 7 -2.222 -0.755 3.451 1.00 0.00 H +ATOM 130 HD11 LEU A 7 -4.453 -1.399 4.353 1.00 0.00 H +ATOM 131 HD12 LEU A 7 -3.663 -2.544 5.458 1.00 0.00 H +ATOM 132 HD13 LEU A 7 -3.376 -0.804 5.626 1.00 0.00 H +ATOM 133 HD21 LEU A 7 -1.148 -3.021 5.187 1.00 0.00 H +ATOM 134 HD22 LEU A 7 -0.210 -1.944 4.128 1.00 0.00 H +ATOM 135 HD23 LEU A 7 -0.982 -1.297 5.571 1.00 0.00 H +ATOM 136 N LYS A 8 -2.633 -4.432 0.094 1.00 0.00 N +ATOM 137 CA LYS A 8 -2.884 -5.655 -0.692 1.00 0.00 C +ATOM 138 C LYS A 8 -1.596 -6.330 -1.179 1.00 0.00 C +ATOM 139 O LYS A 8 -1.525 -7.556 -1.201 1.00 0.00 O +ATOM 140 CB LYS A 8 -3.808 -5.329 -1.882 1.00 0.00 C +ATOM 141 CG LYS A 8 -4.241 -6.587 -2.655 1.00 0.00 C +ATOM 142 CD LYS A 8 -5.060 -6.237 -3.903 1.00 0.00 C +ATOM 143 CE LYS A 8 -5.306 -7.504 -4.738 1.00 0.00 C +ATOM 144 NZ LYS A 8 -4.559 -7.485 -6.019 1.00 0.00 N +ATOM 145 H LYS A 8 -3.173 -3.595 -0.117 1.00 0.00 H +ATOM 146 HA LYS A 8 -3.386 -6.377 -0.047 1.00 0.00 H +ATOM 147 HB2 LYS A 8 -4.685 -4.834 -1.511 1.00 0.00 H +ATOM 148 HB3 LYS A 8 -3.277 -4.670 -2.567 1.00 0.00 H +ATOM 149 HG2 LYS A 8 -3.365 -7.128 -2.956 1.00 0.00 H +ATOM 150 HG3 LYS A 8 -4.835 -7.226 -2.000 1.00 0.00 H +ATOM 151 HD2 LYS A 8 -6.002 -5.819 -3.605 1.00 0.00 H +ATOM 152 HD3 LYS A 8 -4.524 -5.490 -4.491 1.00 0.00 H +ATOM 153 HE2 LYS A 8 -4.994 -8.359 -4.169 1.00 0.00 H +ATOM 154 HE3 LYS A 8 -6.379 -7.594 -4.932 1.00 0.00 H +ATOM 155 HZ1 LYS A 8 -4.868 -6.712 -6.594 1.00 0.00 H +ATOM 156 HZ2 LYS A 8 -3.566 -7.387 -5.848 1.00 0.00 H +ATOM 157 HZ3 LYS A 8 -4.715 -8.344 -6.529 1.00 0.00 H +ATOM 158 N ASP A 9 -0.590 -5.540 -1.563 1.00 0.00 N +ATOM 159 CA ASP A 9 0.696 -6.034 -2.059 1.00 0.00 C +ATOM 160 C ASP A 9 1.604 -6.602 -0.943 1.00 0.00 C +ATOM 161 O ASP A 9 2.534 -7.350 -1.236 1.00 0.00 O +ATOM 162 CB ASP A 9 1.377 -4.885 -2.828 1.00 0.00 C +ATOM 163 CG ASP A 9 2.180 -5.390 -4.029 1.00 0.00 C +ATOM 164 OD1 ASP A 9 1.517 -5.724 -5.041 1.00 0.00 O +ATOM 165 OD2 ASP A 9 3.423 -5.398 -3.944 1.00 0.00 O +ATOM 166 H ASP A 9 -0.734 -4.540 -1.523 1.00 0.00 H +ATOM 167 HA ASP A 9 0.502 -6.844 -2.765 1.00 0.00 H +ATOM 168 HB2 ASP A 9 0.622 -4.207 -3.177 1.00 0.00 H +ATOM 169 HB3 ASP A 9 2.011 -4.308 -2.158 1.00 0.00 H +ATOM 170 N GLY A 10 1.315 -6.291 0.335 1.00 0.00 N +ATOM 171 CA GLY A 10 2.125 -6.667 1.501 1.00 0.00 C +ATOM 172 C GLY A 10 2.634 -5.488 2.350 1.00 0.00 C +ATOM 173 O GLY A 10 3.490 -5.686 3.216 1.00 0.00 O +ATOM 174 H GLY A 10 0.438 -5.808 0.503 1.00 0.00 H +ATOM 175 HA2 GLY A 10 1.519 -7.303 2.147 1.00 0.00 H +ATOM 176 HA3 GLY A 10 2.993 -7.245 1.182 1.00 0.00 H +ATOM 177 N GLY A 11 2.132 -4.266 2.113 1.00 0.00 N +ATOM 178 CA GLY A 11 2.535 -3.041 2.809 1.00 0.00 C +ATOM 179 C GLY A 11 4.061 -2.833 2.842 1.00 0.00 C +ATOM 180 O GLY A 11 4.676 -2.729 1.777 1.00 0.00 O +ATOM 181 H GLY A 11 1.459 -4.179 1.364 1.00 0.00 H +ATOM 182 HA2 GLY A 11 2.091 -2.192 2.292 1.00 0.00 H +ATOM 183 HA3 GLY A 11 2.124 -3.070 3.815 1.00 0.00 H +ATOM 184 N PRO A 12 4.716 -2.764 4.022 1.00 0.00 N +ATOM 185 CA PRO A 12 6.173 -2.628 4.110 1.00 0.00 C +ATOM 186 C PRO A 12 6.953 -3.752 3.413 1.00 0.00 C +ATOM 187 O PRO A 12 8.085 -3.532 2.985 1.00 0.00 O +ATOM 188 CB PRO A 12 6.510 -2.614 5.607 1.00 0.00 C +ATOM 189 CG PRO A 12 5.200 -2.211 6.279 1.00 0.00 C +ATOM 190 CD PRO A 12 4.136 -2.801 5.356 1.00 0.00 C +ATOM 191 HA PRO A 12 6.463 -1.674 3.669 1.00 0.00 H +ATOM 192 HB2 PRO A 12 6.824 -3.586 5.936 1.00 0.00 H +ATOM 193 HB3 PRO A 12 7.309 -1.906 5.829 1.00 0.00 H +ATOM 194 HG2 PRO A 12 5.129 -2.629 7.265 1.00 0.00 H +ATOM 195 HG3 PRO A 12 5.116 -1.124 6.289 1.00 0.00 H +ATOM 196 HD2 PRO A 12 3.912 -3.811 5.640 1.00 0.00 H +ATOM 197 HD3 PRO A 12 3.224 -2.208 5.422 1.00 0.00 H +ATOM 198 N SER A 13 6.364 -4.949 3.290 1.00 0.00 N +ATOM 199 CA SER A 13 7.032 -6.120 2.719 1.00 0.00 C +ATOM 200 C SER A 13 7.005 -6.154 1.183 1.00 0.00 C +ATOM 201 O SER A 13 7.560 -7.084 0.599 1.00 0.00 O +ATOM 202 CB SER A 13 6.426 -7.399 3.310 1.00 0.00 C +ATOM 203 OG SER A 13 7.402 -8.420 3.301 1.00 0.00 O +ATOM 204 H SER A 13 5.392 -5.053 3.575 1.00 0.00 H +ATOM 205 HA SER A 13 8.080 -6.085 3.021 1.00 0.00 H +ATOM 206 HB2 SER A 13 6.109 -7.214 4.318 1.00 0.00 H +ATOM 207 HB3 SER A 13 5.557 -7.710 2.730 1.00 0.00 H +ATOM 208 HG SER A 13 7.730 -8.506 2.397 1.00 0.00 H +ATOM 209 N SER A 14 6.381 -5.157 0.538 1.00 0.00 N +ATOM 210 CA SER A 14 6.165 -5.055 -0.915 1.00 0.00 C +ATOM 211 C SER A 14 7.342 -4.457 -1.697 1.00 0.00 C +ATOM 212 O SER A 14 7.309 -4.428 -2.924 1.00 0.00 O +ATOM 213 CB SER A 14 4.964 -4.138 -1.174 1.00 0.00 C +ATOM 214 OG SER A 14 3.864 -4.511 -0.377 1.00 0.00 O +ATOM 215 H SER A 14 5.881 -4.475 1.098 1.00 0.00 H +ATOM 216 HA SER A 14 5.937 -6.042 -1.321 1.00 0.00 H +ATOM 217 HB2 SER A 14 5.238 -3.127 -0.943 1.00 0.00 H +ATOM 218 HB3 SER A 14 4.688 -4.185 -2.225 1.00 0.00 H +ATOM 219 HG SER A 14 3.188 -3.835 -0.468 1.00 0.00 H +ATOM 220 N GLY A 15 8.357 -3.909 -1.017 1.00 0.00 N +ATOM 221 CA GLY A 15 9.474 -3.213 -1.669 1.00 0.00 C +ATOM 222 C GLY A 15 9.156 -1.791 -2.160 1.00 0.00 C +ATOM 223 O GLY A 15 9.942 -1.231 -2.920 1.00 0.00 O +ATOM 224 H GLY A 15 8.341 -3.994 -0.010 1.00 0.00 H +ATOM 225 HA2 GLY A 15 10.311 -3.152 -0.976 1.00 0.00 H +ATOM 226 HA3 GLY A 15 9.800 -3.797 -2.532 1.00 0.00 H +ATOM 227 N ARG A 16 8.024 -1.197 -1.741 1.00 0.00 N +ATOM 228 CA ARG A 16 7.568 0.140 -2.156 1.00 0.00 C +ATOM 229 C ARG A 16 7.012 0.930 -0.956 1.00 0.00 C +ATOM 230 O ARG A 16 6.231 0.354 -0.196 1.00 0.00 O +ATOM 231 CB ARG A 16 6.504 -0.029 -3.256 1.00 0.00 C +ATOM 232 CG ARG A 16 6.136 1.305 -3.920 1.00 0.00 C +ATOM 233 CD ARG A 16 5.111 1.119 -5.043 1.00 0.00 C +ATOM 234 NE ARG A 16 4.902 2.373 -5.790 1.00 0.00 N +ATOM 235 CZ ARG A 16 4.118 3.394 -5.467 1.00 0.00 C +ATOM 236 NH1 ARG A 16 3.401 3.409 -4.368 1.00 0.00 N +ATOM 237 NH2 ARG A 16 4.046 4.440 -6.259 1.00 0.00 N +ATOM 238 H ARG A 16 7.441 -1.716 -1.100 1.00 0.00 H +ATOM 239 HA ARG A 16 8.423 0.671 -2.576 1.00 0.00 H +ATOM 240 HB2 ARG A 16 6.886 -0.694 -4.006 1.00 0.00 H +ATOM 241 HB3 ARG A 16 5.608 -0.485 -2.831 1.00 0.00 H +ATOM 242 HG2 ARG A 16 5.722 1.960 -3.177 1.00 0.00 H +ATOM 243 HG3 ARG A 16 7.039 1.747 -4.344 1.00 0.00 H +ATOM 244 HD2 ARG A 16 5.466 0.364 -5.719 1.00 0.00 H +ATOM 245 HD3 ARG A 16 4.167 0.759 -4.628 1.00 0.00 H +ATOM 246 HE ARG A 16 5.422 2.462 -6.647 1.00 0.00 H +ATOM 247 HH11 ARG A 16 3.504 2.647 -3.718 1.00 0.00 H +ATOM 248 HH12 ARG A 16 2.814 4.189 -4.136 1.00 0.00 H +ATOM 249 HH21 ARG A 16 4.589 4.478 -7.103 1.00 0.00 H +ATOM 250 HH22 ARG A 16 3.453 5.213 -6.014 1.00 0.00 H +ATOM 251 N PRO A 17 7.341 2.229 -0.790 1.00 0.00 N +ATOM 252 CA PRO A 17 6.828 3.050 0.313 1.00 0.00 C +ATOM 253 C PRO A 17 5.302 3.268 0.240 1.00 0.00 C +ATOM 254 O PRO A 17 4.711 3.118 -0.837 1.00 0.00 O +ATOM 255 CB PRO A 17 7.588 4.382 0.217 1.00 0.00 C +ATOM 256 CG PRO A 17 7.955 4.479 -1.259 1.00 0.00 C +ATOM 257 CD PRO A 17 8.236 3.024 -1.624 1.00 0.00 C +ATOM 258 HA PRO A 17 7.073 2.564 1.257 1.00 0.00 H +ATOM 259 HB2 PRO A 17 6.962 5.202 0.511 1.00 0.00 H +ATOM 260 HB3 PRO A 17 8.498 4.326 0.815 1.00 0.00 H +ATOM 261 HG2 PRO A 17 7.141 4.874 -1.836 1.00 0.00 H +ATOM 262 HG3 PRO A 17 8.825 5.116 -1.425 1.00 0.00 H +ATOM 263 HD2 PRO A 17 8.031 2.852 -2.663 1.00 0.00 H +ATOM 264 HD3 PRO A 17 9.270 2.778 -1.381 1.00 0.00 H +ATOM 265 N PRO A 18 4.658 3.643 1.366 1.00 0.00 N +ATOM 266 CA PRO A 18 3.221 3.898 1.414 1.00 0.00 C +ATOM 267 C PRO A 18 2.834 5.170 0.637 1.00 0.00 C +ATOM 268 O PRO A 18 3.623 6.115 0.574 1.00 0.00 O +ATOM 269 CB PRO A 18 2.872 4.023 2.901 1.00 0.00 C +ATOM 270 CG PRO A 18 4.173 4.506 3.536 1.00 0.00 C +ATOM 271 CD PRO A 18 5.248 3.833 2.686 1.00 0.00 C +ATOM 272 HA PRO A 18 2.702 3.039 0.999 1.00 0.00 H +ATOM 273 HB2 PRO A 18 2.085 4.736 3.051 1.00 0.00 H +ATOM 274 HB3 PRO A 18 2.619 3.041 3.300 1.00 0.00 H +ATOM 275 HG2 PRO A 18 4.254 5.575 3.483 1.00 0.00 H +ATOM 276 HG3 PRO A 18 4.246 4.214 4.585 1.00 0.00 H +ATOM 277 HD2 PRO A 18 6.117 4.459 2.619 1.00 0.00 H +ATOM 278 HD3 PRO A 18 5.501 2.862 3.113 1.00 0.00 H +ATOM 279 N PRO A 19 1.620 5.223 0.057 1.00 0.00 N +ATOM 280 CA PRO A 19 1.139 6.367 -0.722 1.00 0.00 C +ATOM 281 C PRO A 19 0.477 7.473 0.123 1.00 0.00 C +ATOM 282 O PRO A 19 0.201 8.545 -0.412 1.00 0.00 O +ATOM 283 CB PRO A 19 0.125 5.747 -1.684 1.00 0.00 C +ATOM 284 CG PRO A 19 -0.519 4.650 -0.831 1.00 0.00 C +ATOM 285 CD PRO A 19 0.673 4.117 -0.040 1.00 0.00 C +ATOM 286 HA PRO A 19 1.956 6.812 -1.290 1.00 0.00 H +ATOM 287 HB2 PRO A 19 -0.603 6.470 -1.999 1.00 0.00 H +ATOM 288 HB3 PRO A 19 0.651 5.295 -2.525 1.00 0.00 H +ATOM 289 HG2 PRO A 19 -1.270 5.054 -0.179 1.00 0.00 H +ATOM 290 HG3 PRO A 19 -0.979 3.875 -1.444 1.00 0.00 H +ATOM 291 HD2 PRO A 19 0.362 3.806 0.939 1.00 0.00 H +ATOM 292 HD3 PRO A 19 1.138 3.304 -0.597 1.00 0.00 H +ATOM 293 N SER A 20 0.213 7.210 1.410 1.00 0.00 N +ATOM 294 CA SER A 20 -0.379 8.118 2.401 1.00 0.00 C +ATOM 295 C SER A 20 0.477 8.085 3.667 1.00 0.00 C +ATOM 296 O SER A 20 0.871 9.175 4.129 1.00 0.00 O +ATOM 297 CB SER A 20 -1.821 7.700 2.717 1.00 0.00 C +ATOM 298 OG SER A 20 -2.657 8.835 2.780 1.00 0.00 O +ATOM 299 OXT SER A 20 0.731 6.946 4.124 1.00 0.00 O +ATOM 300 H SER A 20 0.539 6.334 1.792 1.00 0.00 H +ATOM 301 HA SER A 20 -0.376 9.140 2.021 1.00 0.00 H +ATOM 302 HB2 SER A 20 -2.175 7.041 1.948 1.00 0.00 H +ATOM 303 HB3 SER A 20 -1.844 7.173 3.675 1.00 0.00 H +ATOM 304 HG SER A 20 -3.473 8.604 3.228 1.00 0.00 H +TER 305 SER A 20 +ENDMDL +MODEL 34 +ATOM 1 N ASN A 1 -5.799 7.830 -0.622 1.00 0.00 N +ATOM 2 CA ASN A 1 -6.880 6.904 -1.045 1.00 0.00 C +ATOM 3 C ASN A 1 -6.385 5.527 -1.533 1.00 0.00 C +ATOM 4 O ASN A 1 -7.195 4.623 -1.680 1.00 0.00 O +ATOM 5 CB ASN A 1 -7.825 7.579 -2.066 1.00 0.00 C +ATOM 6 CG ASN A 1 -9.296 7.287 -1.763 1.00 0.00 C +ATOM 7 OD1 ASN A 1 -9.622 6.455 -0.932 1.00 0.00 O +ATOM 8 ND2 ASN A 1 -10.226 7.998 -2.373 1.00 0.00 N +ATOM 9 H1 ASN A 1 -5.221 7.401 0.088 1.00 0.00 H +ATOM 10 H2 ASN A 1 -5.228 8.093 -1.416 1.00 0.00 H +ATOM 11 H3 ASN A 1 -6.207 8.670 -0.235 1.00 0.00 H +ATOM 12 HA ASN A 1 -7.484 6.690 -0.160 1.00 0.00 H +ATOM 13 HB2 ASN A 1 -7.668 8.640 -2.035 1.00 0.00 H +ATOM 14 HB3 ASN A 1 -7.593 7.245 -3.078 1.00 0.00 H +ATOM 15 HD21 ASN A 1 -10.030 8.724 -3.044 1.00 0.00 H +ATOM 16 HD22 ASN A 1 -11.167 7.758 -2.108 1.00 0.00 H +ATOM 17 N LEU A 2 -5.074 5.320 -1.762 1.00 0.00 N +ATOM 18 CA LEU A 2 -4.517 4.062 -2.295 1.00 0.00 C +ATOM 19 C LEU A 2 -3.967 3.102 -1.219 1.00 0.00 C +ATOM 20 O LEU A 2 -3.428 2.045 -1.548 1.00 0.00 O +ATOM 21 CB LEU A 2 -3.448 4.425 -3.346 1.00 0.00 C +ATOM 22 CG LEU A 2 -4.051 4.779 -4.719 1.00 0.00 C +ATOM 23 CD1 LEU A 2 -3.023 5.544 -5.556 1.00 0.00 C +ATOM 24 CD2 LEU A 2 -4.473 3.517 -5.479 1.00 0.00 C +ATOM 25 H LEU A 2 -4.397 6.057 -1.657 1.00 0.00 H +ATOM 26 HA LEU A 2 -5.309 3.505 -2.795 1.00 0.00 H +ATOM 27 HB2 LEU A 2 -2.890 5.269 -2.989 1.00 0.00 H +ATOM 28 HB3 LEU A 2 -2.757 3.592 -3.484 1.00 0.00 H +ATOM 29 HG LEU A 2 -4.923 5.421 -4.583 1.00 0.00 H +ATOM 30 HD11 LEU A 2 -2.817 6.509 -5.095 1.00 0.00 H +ATOM 31 HD12 LEU A 2 -2.096 4.973 -5.628 1.00 0.00 H +ATOM 32 HD13 LEU A 2 -3.417 5.717 -6.558 1.00 0.00 H +ATOM 33 HD21 LEU A 2 -3.615 2.859 -5.616 1.00 0.00 H +ATOM 34 HD22 LEU A 2 -5.251 2.986 -4.932 1.00 0.00 H +ATOM 35 HD23 LEU A 2 -4.869 3.792 -6.456 1.00 0.00 H +ATOM 36 N TYR A 3 -4.114 3.440 0.068 1.00 0.00 N +ATOM 37 CA TYR A 3 -3.557 2.674 1.187 1.00 0.00 C +ATOM 38 C TYR A 3 -4.050 1.217 1.220 1.00 0.00 C +ATOM 39 O TYR A 3 -3.279 0.313 1.534 1.00 0.00 O +ATOM 40 CB TYR A 3 -3.871 3.401 2.505 1.00 0.00 C +ATOM 41 CG TYR A 3 -2.796 3.226 3.558 1.00 0.00 C +ATOM 42 CD1 TYR A 3 -2.742 2.051 4.335 1.00 0.00 C +ATOM 43 CD2 TYR A 3 -1.836 4.240 3.749 1.00 0.00 C +ATOM 44 CE1 TYR A 3 -1.743 1.897 5.317 1.00 0.00 C +ATOM 45 CE2 TYR A 3 -0.837 4.088 4.726 1.00 0.00 C +ATOM 46 CZ TYR A 3 -0.793 2.923 5.516 1.00 0.00 C +ATOM 47 OH TYR A 3 0.148 2.813 6.496 1.00 0.00 O +ATOM 48 H TYR A 3 -4.583 4.306 0.272 1.00 0.00 H +ATOM 49 HA TYR A 3 -2.473 2.651 1.067 1.00 0.00 H +ATOM 50 HB2 TYR A 3 -3.978 4.449 2.299 1.00 0.00 H +ATOM 51 HB3 TYR A 3 -4.828 3.055 2.899 1.00 0.00 H +ATOM 52 HD1 TYR A 3 -3.469 1.267 4.176 1.00 0.00 H +ATOM 53 HD2 TYR A 3 -1.865 5.144 3.155 1.00 0.00 H +ATOM 54 HE1 TYR A 3 -1.699 0.996 5.909 1.00 0.00 H +ATOM 55 HE2 TYR A 3 -0.106 4.866 4.894 1.00 0.00 H +ATOM 56 HH TYR A 3 -0.189 2.359 7.268 1.00 0.00 H +ATOM 57 N ILE A 4 -5.316 0.983 0.838 1.00 0.00 N +ATOM 58 CA ILE A 4 -5.917 -0.354 0.736 1.00 0.00 C +ATOM 59 C ILE A 4 -5.164 -1.204 -0.302 1.00 0.00 C +ATOM 60 O ILE A 4 -4.740 -2.313 0.009 1.00 0.00 O +ATOM 61 CB ILE A 4 -7.431 -0.260 0.419 1.00 0.00 C +ATOM 62 CG1 ILE A 4 -8.188 0.682 1.392 1.00 0.00 C +ATOM 63 CG2 ILE A 4 -8.073 -1.658 0.464 1.00 0.00 C +ATOM 64 CD1 ILE A 4 -8.662 1.967 0.703 1.00 0.00 C +ATOM 65 H ILE A 4 -5.883 1.784 0.606 1.00 0.00 H +ATOM 66 HA ILE A 4 -5.806 -0.849 1.701 1.00 0.00 H +ATOM 67 HB ILE A 4 -7.550 0.118 -0.599 1.00 0.00 H +ATOM 68 HG12 ILE A 4 -9.043 0.163 1.781 1.00 0.00 H +ATOM 69 HG13 ILE A 4 -7.554 0.946 2.240 1.00 0.00 H +ATOM 70 HG21 ILE A 4 -7.627 -2.311 -0.285 1.00 0.00 H +ATOM 71 HG22 ILE A 4 -7.939 -2.102 1.451 1.00 0.00 H +ATOM 72 HG23 ILE A 4 -9.141 -1.582 0.251 1.00 0.00 H +ATOM 73 HD11 ILE A 4 -7.826 2.470 0.218 1.00 0.00 H +ATOM 74 HD12 ILE A 4 -9.419 1.723 -0.045 1.00 0.00 H +ATOM 75 HD13 ILE A 4 -9.102 2.636 1.442 1.00 0.00 H +ATOM 76 N GLN A 5 -4.951 -0.669 -1.512 1.00 0.00 N +ATOM 77 CA GLN A 5 -4.159 -1.301 -2.575 1.00 0.00 C +ATOM 78 C GLN A 5 -2.710 -1.563 -2.137 1.00 0.00 C +ATOM 79 O GLN A 5 -2.195 -2.659 -2.357 1.00 0.00 O +ATOM 80 CB GLN A 5 -4.205 -0.425 -3.844 1.00 0.00 C +ATOM 81 CG GLN A 5 -5.431 -0.707 -4.723 1.00 0.00 C +ATOM 82 CD GLN A 5 -5.229 -1.914 -5.660 1.00 0.00 C +ATOM 83 OE1 GLN A 5 -4.748 -2.967 -5.270 1.00 0.00 O +ATOM 84 NE2 GLN A 5 -5.591 -1.783 -6.912 1.00 0.00 N +ATOM 85 H GLN A 5 -5.269 0.277 -1.662 1.00 0.00 H +ATOM 86 HA GLN A 5 -4.597 -2.273 -2.805 1.00 0.00 H +ATOM 87 HB2 GLN A 5 -4.227 0.606 -3.547 1.00 0.00 H +ATOM 88 HB3 GLN A 5 -3.305 -0.586 -4.439 1.00 0.00 H +ATOM 89 HG2 GLN A 5 -6.272 -0.904 -4.086 1.00 0.00 H +ATOM 90 HG3 GLN A 5 -5.620 0.176 -5.336 1.00 0.00 H +ATOM 91 HE21 GLN A 5 -6.009 -0.948 -7.281 1.00 0.00 H +ATOM 92 HE22 GLN A 5 -5.424 -2.601 -7.488 1.00 0.00 H +ATOM 93 N TRP A 6 -2.061 -0.590 -1.483 1.00 0.00 N +ATOM 94 CA TRP A 6 -0.707 -0.761 -0.942 1.00 0.00 C +ATOM 95 C TRP A 6 -0.625 -1.886 0.103 1.00 0.00 C +ATOM 96 O TRP A 6 0.254 -2.748 0.014 1.00 0.00 O +ATOM 97 CB TRP A 6 -0.203 0.570 -0.378 1.00 0.00 C +ATOM 98 CG TRP A 6 1.188 0.516 0.176 1.00 0.00 C +ATOM 99 CD1 TRP A 6 2.328 0.543 -0.554 1.00 0.00 C +ATOM 100 CD2 TRP A 6 1.611 0.411 1.571 1.00 0.00 C +ATOM 101 NE1 TRP A 6 3.420 0.431 0.286 1.00 0.00 N +ATOM 102 CE2 TRP A 6 3.036 0.358 1.604 1.00 0.00 C +ATOM 103 CE3 TRP A 6 0.941 0.370 2.813 1.00 0.00 C +ATOM 104 CZ2 TRP A 6 3.764 0.276 2.797 1.00 0.00 C +ATOM 105 CZ3 TRP A 6 1.660 0.285 4.021 1.00 0.00 C +ATOM 106 CH2 TRP A 6 3.067 0.241 4.016 1.00 0.00 C +ATOM 107 H TRP A 6 -2.536 0.304 -1.365 1.00 0.00 H +ATOM 108 HA TRP A 6 -0.047 -1.048 -1.761 1.00 0.00 H +ATOM 109 HB2 TRP A 6 -0.223 1.298 -1.166 1.00 0.00 H +ATOM 110 HB3 TRP A 6 -0.876 0.904 0.412 1.00 0.00 H +ATOM 111 HD1 TRP A 6 2.371 0.637 -1.631 1.00 0.00 H +ATOM 112 HE1 TRP A 6 4.399 0.438 -0.005 1.00 0.00 H +ATOM 113 HE3 TRP A 6 -0.139 0.419 2.832 1.00 0.00 H +ATOM 114 HZ2 TRP A 6 4.843 0.240 2.765 1.00 0.00 H +ATOM 115 HZ3 TRP A 6 1.130 0.269 4.964 1.00 0.00 H +ATOM 116 HH2 TRP A 6 3.612 0.191 4.946 1.00 0.00 H +ATOM 117 N LEU A 7 -1.566 -1.931 1.058 1.00 0.00 N +ATOM 118 CA LEU A 7 -1.690 -3.054 1.991 1.00 0.00 C +ATOM 119 C LEU A 7 -1.955 -4.378 1.260 1.00 0.00 C +ATOM 120 O LEU A 7 -1.318 -5.376 1.595 1.00 0.00 O +ATOM 121 CB LEU A 7 -2.786 -2.777 3.037 1.00 0.00 C +ATOM 122 CG LEU A 7 -2.391 -1.764 4.129 1.00 0.00 C +ATOM 123 CD1 LEU A 7 -3.612 -1.492 5.013 1.00 0.00 C +ATOM 124 CD2 LEU A 7 -1.258 -2.274 5.027 1.00 0.00 C +ATOM 125 H LEU A 7 -2.249 -1.176 1.107 1.00 0.00 H +ATOM 126 HA LEU A 7 -0.737 -3.180 2.499 1.00 0.00 H +ATOM 127 HB2 LEU A 7 -3.649 -2.397 2.525 1.00 0.00 H +ATOM 128 HB3 LEU A 7 -3.042 -3.717 3.527 1.00 0.00 H +ATOM 129 HG LEU A 7 -2.078 -0.829 3.669 1.00 0.00 H +ATOM 130 HD11 LEU A 7 -4.419 -1.078 4.410 1.00 0.00 H +ATOM 131 HD12 LEU A 7 -3.953 -2.420 5.476 1.00 0.00 H +ATOM 132 HD13 LEU A 7 -3.357 -0.782 5.798 1.00 0.00 H +ATOM 133 HD21 LEU A 7 -1.530 -3.234 5.465 1.00 0.00 H +ATOM 134 HD22 LEU A 7 -0.339 -2.386 4.455 1.00 0.00 H +ATOM 135 HD23 LEU A 7 -1.069 -1.559 5.827 1.00 0.00 H +ATOM 136 N LYS A 8 -2.824 -4.393 0.234 1.00 0.00 N +ATOM 137 CA LYS A 8 -3.130 -5.587 -0.573 1.00 0.00 C +ATOM 138 C LYS A 8 -1.901 -6.192 -1.263 1.00 0.00 C +ATOM 139 O LYS A 8 -1.908 -7.378 -1.579 1.00 0.00 O +ATOM 140 CB LYS A 8 -4.203 -5.259 -1.628 1.00 0.00 C +ATOM 141 CG LYS A 8 -5.048 -6.490 -2.013 1.00 0.00 C +ATOM 142 CD LYS A 8 -5.129 -6.766 -3.523 1.00 0.00 C +ATOM 143 CE LYS A 8 -3.903 -7.532 -4.050 1.00 0.00 C +ATOM 144 NZ LYS A 8 -2.952 -6.665 -4.790 1.00 0.00 N +ATOM 145 H LYS A 8 -3.348 -3.538 0.053 1.00 0.00 H +ATOM 146 HA LYS A 8 -3.517 -6.346 0.108 1.00 0.00 H +ATOM 147 HB2 LYS A 8 -4.855 -4.504 -1.233 1.00 0.00 H +ATOM 148 HB3 LYS A 8 -3.725 -4.833 -2.511 1.00 0.00 H +ATOM 149 HG2 LYS A 8 -4.619 -7.352 -1.538 1.00 0.00 H +ATOM 150 HG3 LYS A 8 -6.060 -6.319 -1.647 1.00 0.00 H +ATOM 151 HD2 LYS A 8 -6.009 -7.348 -3.720 1.00 0.00 H +ATOM 152 HD3 LYS A 8 -5.287 -5.837 -4.075 1.00 0.00 H +ATOM 153 HE2 LYS A 8 -3.389 -7.970 -3.216 1.00 0.00 H +ATOM 154 HE3 LYS A 8 -4.260 -8.327 -4.710 1.00 0.00 H +ATOM 155 HZ1 LYS A 8 -3.417 -6.219 -5.569 1.00 0.00 H +ATOM 156 HZ2 LYS A 8 -2.573 -5.948 -4.185 1.00 0.00 H +ATOM 157 HZ3 LYS A 8 -2.177 -7.215 -5.141 1.00 0.00 H +ATOM 158 N ASP A 9 -0.868 -5.389 -1.528 1.00 0.00 N +ATOM 159 CA ASP A 9 0.415 -5.850 -2.062 1.00 0.00 C +ATOM 160 C ASP A 9 1.361 -6.433 -0.997 1.00 0.00 C +ATOM 161 O ASP A 9 2.393 -7.000 -1.356 1.00 0.00 O +ATOM 162 CB ASP A 9 1.128 -4.679 -2.755 1.00 0.00 C +ATOM 163 CG ASP A 9 1.821 -5.147 -4.033 1.00 0.00 C +ATOM 164 OD1 ASP A 9 1.092 -5.500 -4.985 1.00 0.00 O +ATOM 165 OD2 ASP A 9 3.071 -5.076 -4.089 1.00 0.00 O +ATOM 166 H ASP A 9 -0.983 -4.400 -1.335 1.00 0.00 H +ATOM 167 HA ASP A 9 0.222 -6.632 -2.802 1.00 0.00 H +ATOM 168 HB2 ASP A 9 0.407 -3.924 -3.002 1.00 0.00 H +ATOM 169 HB3 ASP A 9 1.858 -4.239 -2.072 1.00 0.00 H +ATOM 170 N GLY A 10 1.065 -6.245 0.295 1.00 0.00 N +ATOM 171 CA GLY A 10 1.887 -6.698 1.422 1.00 0.00 C +ATOM 172 C GLY A 10 2.425 -5.583 2.330 1.00 0.00 C +ATOM 173 O GLY A 10 3.181 -5.881 3.256 1.00 0.00 O +ATOM 174 H GLY A 10 0.187 -5.780 0.519 1.00 0.00 H +ATOM 175 HA2 GLY A 10 1.284 -7.365 2.037 1.00 0.00 H +ATOM 176 HA3 GLY A 10 2.742 -7.268 1.059 1.00 0.00 H +ATOM 177 N GLY A 11 2.061 -4.312 2.104 1.00 0.00 N +ATOM 178 CA GLY A 11 2.490 -3.202 2.957 1.00 0.00 C +ATOM 179 C GLY A 11 4.026 -3.036 2.995 1.00 0.00 C +ATOM 180 O GLY A 11 4.652 -3.007 1.932 1.00 0.00 O +ATOM 181 H GLY A 11 1.472 -4.098 1.305 1.00 0.00 H +ATOM 182 HA2 GLY A 11 2.054 -2.278 2.582 1.00 0.00 H +ATOM 183 HA3 GLY A 11 2.093 -3.382 3.955 1.00 0.00 H +ATOM 184 N PRO A 12 4.674 -2.922 4.179 1.00 0.00 N +ATOM 185 CA PRO A 12 6.124 -2.708 4.301 1.00 0.00 C +ATOM 186 C PRO A 12 7.022 -3.877 3.833 1.00 0.00 C +ATOM 187 O PRO A 12 8.218 -3.871 4.113 1.00 0.00 O +ATOM 188 CB PRO A 12 6.391 -2.376 5.780 1.00 0.00 C +ATOM 189 CG PRO A 12 5.023 -2.264 6.447 1.00 0.00 C +ATOM 190 CD PRO A 12 4.073 -2.998 5.504 1.00 0.00 C +ATOM 191 HA PRO A 12 6.387 -1.837 3.703 1.00 0.00 H +ATOM 192 HB2 PRO A 12 6.965 -3.158 6.239 1.00 0.00 H +ATOM 193 HB3 PRO A 12 6.935 -1.434 5.867 1.00 0.00 H +ATOM 194 HG2 PRO A 12 5.033 -2.731 7.413 1.00 0.00 H +ATOM 195 HG3 PRO A 12 4.734 -1.214 6.511 1.00 0.00 H +ATOM 196 HD2 PRO A 12 3.967 -4.022 5.806 1.00 0.00 H +ATOM 197 HD3 PRO A 12 3.094 -2.523 5.547 1.00 0.00 H +ATOM 198 N SER A 13 6.477 -4.893 3.152 1.00 0.00 N +ATOM 199 CA SER A 13 7.175 -6.119 2.726 1.00 0.00 C +ATOM 200 C SER A 13 7.263 -6.275 1.201 1.00 0.00 C +ATOM 201 O SER A 13 7.639 -7.338 0.711 1.00 0.00 O +ATOM 202 CB SER A 13 6.505 -7.331 3.383 1.00 0.00 C +ATOM 203 OG SER A 13 6.754 -7.284 4.773 1.00 0.00 O +ATOM 204 H SER A 13 5.498 -4.804 2.901 1.00 0.00 H +ATOM 205 HA SER A 13 8.208 -6.093 3.078 1.00 0.00 H +ATOM 206 HB2 SER A 13 5.448 -7.301 3.204 1.00 0.00 H +ATOM 207 HB3 SER A 13 6.916 -8.258 2.983 1.00 0.00 H +ATOM 208 HG SER A 13 6.699 -6.365 5.049 1.00 0.00 H +ATOM 209 N SER A 14 6.946 -5.213 0.448 1.00 0.00 N +ATOM 210 CA SER A 14 6.719 -5.256 -1.005 1.00 0.00 C +ATOM 211 C SER A 14 7.679 -4.357 -1.805 1.00 0.00 C +ATOM 212 O SER A 14 7.475 -4.156 -3.000 1.00 0.00 O +ATOM 213 CB SER A 14 5.251 -4.902 -1.299 1.00 0.00 C +ATOM 214 OG SER A 14 4.376 -5.610 -0.441 1.00 0.00 O +ATOM 215 H SER A 14 6.585 -4.411 0.948 1.00 0.00 H +ATOM 216 HA SER A 14 6.876 -6.275 -1.359 1.00 0.00 H +ATOM 217 HB2 SER A 14 5.108 -3.848 -1.154 1.00 0.00 H +ATOM 218 HB3 SER A 14 5.023 -5.134 -2.341 1.00 0.00 H +ATOM 219 HG SER A 14 3.677 -6.081 -0.956 1.00 0.00 H +ATOM 220 N GLY A 15 8.709 -3.785 -1.159 1.00 0.00 N +ATOM 221 CA GLY A 15 9.714 -2.925 -1.800 1.00 0.00 C +ATOM 222 C GLY A 15 9.190 -1.564 -2.282 1.00 0.00 C +ATOM 223 O GLY A 15 9.812 -0.954 -3.149 1.00 0.00 O +ATOM 224 H GLY A 15 8.834 -4.046 -0.191 1.00 0.00 H +ATOM 225 HA2 GLY A 15 10.523 -2.738 -1.093 1.00 0.00 H +ATOM 226 HA3 GLY A 15 10.138 -3.448 -2.658 1.00 0.00 H +ATOM 227 N ARG A 16 8.055 -1.092 -1.742 1.00 0.00 N +ATOM 228 CA ARG A 16 7.352 0.126 -2.173 1.00 0.00 C +ATOM 229 C ARG A 16 6.879 0.975 -0.975 1.00 0.00 C +ATOM 230 O ARG A 16 6.283 0.422 -0.047 1.00 0.00 O +ATOM 231 CB ARG A 16 6.179 -0.250 -3.105 1.00 0.00 C +ATOM 232 CG ARG A 16 5.216 -1.290 -2.506 1.00 0.00 C +ATOM 233 CD ARG A 16 3.913 -1.453 -3.294 1.00 0.00 C +ATOM 234 NE ARG A 16 3.979 -2.564 -4.251 1.00 0.00 N +ATOM 235 CZ ARG A 16 4.099 -2.562 -5.568 1.00 0.00 C +ATOM 236 NH1 ARG A 16 4.326 -1.471 -6.261 1.00 0.00 N +ATOM 237 NH2 ARG A 16 3.956 -3.703 -6.191 1.00 0.00 N +ATOM 238 H ARG A 16 7.635 -1.646 -1.010 1.00 0.00 H +ATOM 239 HA ARG A 16 8.053 0.718 -2.760 1.00 0.00 H +ATOM 240 HB2 ARG A 16 5.622 0.641 -3.323 1.00 0.00 H +ATOM 241 HB3 ARG A 16 6.585 -0.650 -4.035 1.00 0.00 H +ATOM 242 HG2 ARG A 16 5.716 -2.239 -2.480 1.00 0.00 H +ATOM 243 HG3 ARG A 16 4.938 -1.000 -1.497 1.00 0.00 H +ATOM 244 HD2 ARG A 16 3.113 -1.638 -2.604 1.00 0.00 H +ATOM 245 HD3 ARG A 16 3.642 -0.518 -3.782 1.00 0.00 H +ATOM 246 HE ARG A 16 3.778 -3.506 -3.901 1.00 0.00 H +ATOM 247 HH11 ARG A 16 4.431 -0.607 -5.761 1.00 0.00 H +ATOM 248 HH12 ARG A 16 4.393 -1.513 -7.260 1.00 0.00 H +ATOM 249 HH21 ARG A 16 3.656 -4.483 -5.580 1.00 0.00 H +ATOM 250 HH22 ARG A 16 3.997 -3.809 -7.186 1.00 0.00 H +ATOM 251 N PRO A 17 7.088 2.308 -0.976 1.00 0.00 N +ATOM 252 CA PRO A 17 6.623 3.182 0.103 1.00 0.00 C +ATOM 253 C PRO A 17 5.085 3.329 0.103 1.00 0.00 C +ATOM 254 O PRO A 17 4.453 3.095 -0.930 1.00 0.00 O +ATOM 255 CB PRO A 17 7.322 4.523 -0.149 1.00 0.00 C +ATOM 256 CG PRO A 17 7.496 4.553 -1.666 1.00 0.00 C +ATOM 257 CD PRO A 17 7.747 3.086 -2.015 1.00 0.00 C +ATOM 258 HA PRO A 17 6.949 2.777 1.062 1.00 0.00 H +ATOM 259 HB2 PRO A 17 6.713 5.342 0.184 1.00 0.00 H +ATOM 260 HB3 PRO A 17 8.304 4.513 0.328 1.00 0.00 H +ATOM 261 HG2 PRO A 17 6.610 4.918 -2.148 1.00 0.00 H +ATOM 262 HG3 PRO A 17 8.331 5.187 -1.966 1.00 0.00 H +ATOM 263 HD2 PRO A 17 7.329 2.855 -2.976 1.00 0.00 H +ATOM 264 HD3 PRO A 17 8.819 2.881 -1.995 1.00 0.00 H +ATOM 265 N PRO A 18 4.472 3.730 1.236 1.00 0.00 N +ATOM 266 CA PRO A 18 3.027 3.921 1.331 1.00 0.00 C +ATOM 267 C PRO A 18 2.560 5.180 0.573 1.00 0.00 C +ATOM 268 O PRO A 18 3.278 6.182 0.545 1.00 0.00 O +ATOM 269 CB PRO A 18 2.729 4.033 2.829 1.00 0.00 C +ATOM 270 CG PRO A 18 4.024 4.603 3.406 1.00 0.00 C +ATOM 271 CD PRO A 18 5.103 3.976 2.524 1.00 0.00 C +ATOM 272 HA PRO A 18 2.530 3.041 0.935 1.00 0.00 H +ATOM 273 HB2 PRO A 18 1.904 4.696 3.008 1.00 0.00 H +ATOM 274 HB3 PRO A 18 2.555 3.040 3.241 1.00 0.00 H +ATOM 275 HG2 PRO A 18 4.040 5.673 3.332 1.00 0.00 H +ATOM 276 HG3 PRO A 18 4.152 4.336 4.455 1.00 0.00 H +ATOM 277 HD2 PRO A 18 5.931 4.649 2.412 1.00 0.00 H +ATOM 278 HD3 PRO A 18 5.423 3.028 2.956 1.00 0.00 H +ATOM 279 N PRO A 19 1.350 5.165 -0.019 1.00 0.00 N +ATOM 280 CA PRO A 19 0.784 6.306 -0.729 1.00 0.00 C +ATOM 281 C PRO A 19 0.140 7.315 0.240 1.00 0.00 C +ATOM 282 O PRO A 19 -0.739 6.964 1.032 1.00 0.00 O +ATOM 283 CB PRO A 19 -0.244 5.698 -1.684 1.00 0.00 C +ATOM 284 CG PRO A 19 -0.754 4.477 -0.918 1.00 0.00 C +ATOM 285 CD PRO A 19 0.472 4.010 -0.137 1.00 0.00 C +ATOM 286 HA PRO A 19 1.559 6.806 -1.311 1.00 0.00 H +ATOM 287 HB2 PRO A 19 -1.041 6.389 -1.882 1.00 0.00 H +ATOM 288 HB3 PRO A 19 0.259 5.368 -2.595 1.00 0.00 H +ATOM 289 HG2 PRO A 19 -1.552 4.747 -0.254 1.00 0.00 H +ATOM 290 HG3 PRO A 19 -1.111 3.700 -1.593 1.00 0.00 H +ATOM 291 HD2 PRO A 19 0.182 3.664 0.836 1.00 0.00 H +ATOM 292 HD3 PRO A 19 0.986 3.234 -0.702 1.00 0.00 H +ATOM 293 N SER A 20 0.543 8.582 0.113 1.00 0.00 N +ATOM 294 CA SER A 20 0.016 9.748 0.833 1.00 0.00 C +ATOM 295 C SER A 20 -0.159 10.912 -0.134 1.00 0.00 C +ATOM 296 O SER A 20 -1.277 11.467 -0.133 1.00 0.00 O +ATOM 297 CB SER A 20 0.963 10.142 1.970 1.00 0.00 C +ATOM 298 OG SER A 20 0.800 9.241 3.044 1.00 0.00 O +ATOM 299 OXT SER A 20 0.816 11.191 -0.866 1.00 0.00 O +ATOM 300 H SER A 20 1.245 8.811 -0.579 1.00 0.00 H +ATOM 301 HA SER A 20 -0.972 9.534 1.233 1.00 0.00 H +ATOM 302 HB2 SER A 20 1.977 10.105 1.621 1.00 0.00 H +ATOM 303 HB3 SER A 20 0.729 11.154 2.307 1.00 0.00 H +ATOM 304 HG SER A 20 -0.132 9.020 3.102 1.00 0.00 H +TER 305 SER A 20 +ENDMDL +MODEL 35 +ATOM 1 N ASN A 1 -5.868 7.107 0.465 1.00 0.00 N +ATOM 2 CA ASN A 1 -6.755 6.451 -0.528 1.00 0.00 C +ATOM 3 C ASN A 1 -6.147 5.130 -1.011 1.00 0.00 C +ATOM 4 O ASN A 1 -6.599 4.083 -0.564 1.00 0.00 O +ATOM 5 CB ASN A 1 -7.175 7.413 -1.661 1.00 0.00 C +ATOM 6 CG ASN A 1 -8.572 7.064 -2.164 1.00 0.00 C +ATOM 7 OD1 ASN A 1 -8.793 5.981 -2.676 1.00 0.00 O +ATOM 8 ND2 ASN A 1 -9.552 7.938 -2.002 1.00 0.00 N +ATOM 9 H1 ASN A 1 -5.629 6.454 1.200 1.00 0.00 H +ATOM 10 H2 ASN A 1 -5.021 7.437 0.025 1.00 0.00 H +ATOM 11 H3 ASN A 1 -6.346 7.894 0.882 1.00 0.00 H +ATOM 12 HA ASN A 1 -7.671 6.165 -0.007 1.00 0.00 H +ATOM 13 HB2 ASN A 1 -7.174 8.419 -1.289 1.00 0.00 H +ATOM 14 HB3 ASN A 1 -6.479 7.362 -2.498 1.00 0.00 H +ATOM 15 HD21 ASN A 1 -9.433 8.852 -1.600 1.00 0.00 H +ATOM 16 HD22 ASN A 1 -10.445 7.627 -2.351 1.00 0.00 H +ATOM 17 N LEU A 2 -5.067 5.159 -1.809 1.00 0.00 N +ATOM 18 CA LEU A 2 -4.393 3.972 -2.370 1.00 0.00 C +ATOM 19 C LEU A 2 -3.815 2.986 -1.322 1.00 0.00 C +ATOM 20 O LEU A 2 -3.405 1.881 -1.670 1.00 0.00 O +ATOM 21 CB LEU A 2 -3.318 4.475 -3.359 1.00 0.00 C +ATOM 22 CG LEU A 2 -2.775 3.391 -4.321 1.00 0.00 C +ATOM 23 CD1 LEU A 2 -2.886 3.852 -5.776 1.00 0.00 C +ATOM 24 CD2 LEU A 2 -1.305 3.059 -4.036 1.00 0.00 C +ATOM 25 H LEU A 2 -4.731 6.044 -2.158 1.00 0.00 H +ATOM 26 HA LEU A 2 -5.136 3.416 -2.944 1.00 0.00 H +ATOM 27 HB2 LEU A 2 -3.747 5.262 -3.949 1.00 0.00 H +ATOM 28 HB3 LEU A 2 -2.496 4.924 -2.803 1.00 0.00 H +ATOM 29 HG LEU A 2 -3.366 2.482 -4.221 1.00 0.00 H +ATOM 30 HD11 LEU A 2 -3.924 4.091 -6.007 1.00 0.00 H +ATOM 31 HD12 LEU A 2 -2.264 4.732 -5.945 1.00 0.00 H +ATOM 32 HD13 LEU A 2 -2.567 3.048 -6.440 1.00 0.00 H +ATOM 33 HD21 LEU A 2 -0.682 3.941 -4.189 1.00 0.00 H +ATOM 34 HD22 LEU A 2 -1.195 2.711 -3.010 1.00 0.00 H +ATOM 35 HD23 LEU A 2 -0.974 2.268 -4.708 1.00 0.00 H +ATOM 36 N TYR A 3 -3.811 3.352 -0.033 1.00 0.00 N +ATOM 37 CA TYR A 3 -3.274 2.565 1.082 1.00 0.00 C +ATOM 38 C TYR A 3 -3.871 1.151 1.162 1.00 0.00 C +ATOM 39 O TYR A 3 -3.162 0.203 1.485 1.00 0.00 O +ATOM 40 CB TYR A 3 -3.498 3.331 2.395 1.00 0.00 C +ATOM 41 CG TYR A 3 -2.474 3.026 3.471 1.00 0.00 C +ATOM 42 CD1 TYR A 3 -2.556 1.845 4.232 1.00 0.00 C +ATOM 43 CD2 TYR A 3 -1.445 3.950 3.728 1.00 0.00 C +ATOM 44 CE1 TYR A 3 -1.614 1.596 5.250 1.00 0.00 C +ATOM 45 CE2 TYR A 3 -0.515 3.719 4.759 1.00 0.00 C +ATOM 46 CZ TYR A 3 -0.602 2.538 5.524 1.00 0.00 C +ATOM 47 OH TYR A 3 0.272 2.308 6.543 1.00 0.00 O +ATOM 48 H TYR A 3 -4.199 4.255 0.180 1.00 0.00 H +ATOM 49 HA TYR A 3 -2.199 2.466 0.933 1.00 0.00 H +ATOM 50 HB2 TYR A 3 -3.461 4.382 2.183 1.00 0.00 H +ATOM 51 HB3 TYR A 3 -4.496 3.115 2.779 1.00 0.00 H +ATOM 52 HD1 TYR A 3 -3.347 1.135 4.044 1.00 0.00 H +ATOM 53 HD2 TYR A 3 -1.383 4.866 3.163 1.00 0.00 H +ATOM 54 HE1 TYR A 3 -1.662 0.704 5.850 1.00 0.00 H +ATOM 55 HE2 TYR A 3 0.238 4.465 4.970 1.00 0.00 H +ATOM 56 HH TYR A 3 0.748 3.106 6.781 1.00 0.00 H +ATOM 57 N ILE A 4 -5.156 0.994 0.814 1.00 0.00 N +ATOM 58 CA ILE A 4 -5.850 -0.301 0.744 1.00 0.00 C +ATOM 59 C ILE A 4 -5.166 -1.221 -0.284 1.00 0.00 C +ATOM 60 O ILE A 4 -4.867 -2.383 0.001 1.00 0.00 O +ATOM 61 CB ILE A 4 -7.341 -0.069 0.393 1.00 0.00 C +ATOM 62 CG1 ILE A 4 -8.074 0.816 1.434 1.00 0.00 C +ATOM 63 CG2 ILE A 4 -8.093 -1.407 0.261 1.00 0.00 C +ATOM 64 CD1 ILE A 4 -9.121 1.725 0.775 1.00 0.00 C +ATOM 65 H ILE A 4 -5.666 1.828 0.551 1.00 0.00 H +ATOM 66 HA ILE A 4 -5.792 -0.788 1.718 1.00 0.00 H +ATOM 67 HB ILE A 4 -7.379 0.436 -0.575 1.00 0.00 H +ATOM 68 HG12 ILE A 4 -8.565 0.180 2.146 1.00 0.00 H +ATOM 69 HG13 ILE A 4 -7.376 1.460 1.967 1.00 0.00 H +ATOM 70 HG21 ILE A 4 -7.735 -1.962 -0.606 1.00 0.00 H +ATOM 71 HG22 ILE A 4 -7.943 -2.009 1.159 1.00 0.00 H +ATOM 72 HG23 ILE A 4 -9.159 -1.227 0.131 1.00 0.00 H +ATOM 73 HD11 ILE A 4 -8.623 2.466 0.151 1.00 0.00 H +ATOM 74 HD12 ILE A 4 -9.802 1.138 0.157 1.00 0.00 H +ATOM 75 HD13 ILE A 4 -9.693 2.241 1.546 1.00 0.00 H +ATOM 76 N GLN A 5 -4.893 -0.684 -1.479 1.00 0.00 N +ATOM 77 CA GLN A 5 -4.220 -1.377 -2.577 1.00 0.00 C +ATOM 78 C GLN A 5 -2.743 -1.658 -2.245 1.00 0.00 C +ATOM 79 O GLN A 5 -2.248 -2.748 -2.519 1.00 0.00 O +ATOM 80 CB GLN A 5 -4.380 -0.533 -3.859 1.00 0.00 C +ATOM 81 CG GLN A 5 -4.875 -1.373 -5.046 1.00 0.00 C +ATOM 82 CD GLN A 5 -5.310 -0.493 -6.218 1.00 0.00 C +ATOM 83 OE1 GLN A 5 -4.652 0.465 -6.592 1.00 0.00 O +ATOM 84 NE2 GLN A 5 -6.447 -0.772 -6.830 1.00 0.00 N +ATOM 85 H GLN A 5 -5.079 0.301 -1.598 1.00 0.00 H +ATOM 86 HA GLN A 5 -4.712 -2.339 -2.718 1.00 0.00 H +ATOM 87 HB2 GLN A 5 -5.088 0.251 -3.671 1.00 0.00 H +ATOM 88 HB3 GLN A 5 -3.433 -0.060 -4.120 1.00 0.00 H +ATOM 89 HG2 GLN A 5 -4.081 -2.018 -5.371 1.00 0.00 H +ATOM 90 HG3 GLN A 5 -5.728 -1.974 -4.725 1.00 0.00 H +ATOM 91 HE21 GLN A 5 -7.033 -1.546 -6.574 1.00 0.00 H +ATOM 92 HE22 GLN A 5 -6.664 -0.145 -7.586 1.00 0.00 H +ATOM 93 N TRP A 6 -2.061 -0.708 -1.593 1.00 0.00 N +ATOM 94 CA TRP A 6 -0.699 -0.882 -1.080 1.00 0.00 C +ATOM 95 C TRP A 6 -0.600 -1.986 -0.008 1.00 0.00 C +ATOM 96 O TRP A 6 0.299 -2.830 -0.069 1.00 0.00 O +ATOM 97 CB TRP A 6 -0.198 0.465 -0.550 1.00 0.00 C +ATOM 98 CG TRP A 6 1.182 0.437 0.022 1.00 0.00 C +ATOM 99 CD1 TRP A 6 2.329 0.427 -0.694 1.00 0.00 C +ATOM 100 CD2 TRP A 6 1.580 0.373 1.425 1.00 0.00 C +ATOM 101 NE1 TRP A 6 3.407 0.351 0.167 1.00 0.00 N +ATOM 102 CE2 TRP A 6 3.005 0.332 1.482 1.00 0.00 C +ATOM 103 CE3 TRP A 6 0.886 0.337 2.656 1.00 0.00 C +ATOM 104 CZ2 TRP A 6 3.709 0.283 2.693 1.00 0.00 C +ATOM 105 CZ3 TRP A 6 1.584 0.265 3.877 1.00 0.00 C +ATOM 106 CH2 TRP A 6 2.991 0.248 3.900 1.00 0.00 C +ATOM 107 H TRP A 6 -2.532 0.184 -1.455 1.00 0.00 H +ATOM 108 HA TRP A 6 -0.054 -1.185 -1.905 1.00 0.00 H +ATOM 109 HB2 TRP A 6 -0.210 1.168 -1.360 1.00 0.00 H +ATOM 110 HB3 TRP A 6 -0.877 0.814 0.226 1.00 0.00 H +ATOM 111 HD1 TRP A 6 2.391 0.455 -1.774 1.00 0.00 H +ATOM 112 HE1 TRP A 6 4.385 0.314 -0.130 1.00 0.00 H +ATOM 113 HE3 TRP A 6 -0.194 0.363 2.653 1.00 0.00 H +ATOM 114 HZ2 TRP A 6 4.789 0.251 2.682 1.00 0.00 H +ATOM 115 HZ3 TRP A 6 1.036 0.230 4.808 1.00 0.00 H +ATOM 116 HH2 TRP A 6 3.515 0.202 4.842 1.00 0.00 H +ATOM 117 N LEU A 7 -1.541 -2.027 0.949 1.00 0.00 N +ATOM 118 CA LEU A 7 -1.640 -3.112 1.929 1.00 0.00 C +ATOM 119 C LEU A 7 -1.889 -4.468 1.261 1.00 0.00 C +ATOM 120 O LEU A 7 -1.238 -5.436 1.646 1.00 0.00 O +ATOM 121 CB LEU A 7 -2.740 -2.826 2.968 1.00 0.00 C +ATOM 122 CG LEU A 7 -2.343 -1.833 4.074 1.00 0.00 C +ATOM 123 CD1 LEU A 7 -3.572 -1.572 4.953 1.00 0.00 C +ATOM 124 CD2 LEU A 7 -1.217 -2.363 4.972 1.00 0.00 C +ATOM 125 H LEU A 7 -2.224 -1.274 0.990 1.00 0.00 H +ATOM 126 HA LEU A 7 -0.682 -3.200 2.437 1.00 0.00 H +ATOM 127 HB2 LEU A 7 -3.591 -2.427 2.451 1.00 0.00 H +ATOM 128 HB3 LEU A 7 -3.015 -3.766 3.448 1.00 0.00 H +ATOM 129 HG LEU A 7 -2.019 -0.896 3.626 1.00 0.00 H +ATOM 130 HD11 LEU A 7 -4.372 -1.143 4.348 1.00 0.00 H +ATOM 131 HD12 LEU A 7 -3.920 -2.504 5.398 1.00 0.00 H +ATOM 132 HD13 LEU A 7 -3.325 -0.876 5.753 1.00 0.00 H +ATOM 133 HD21 LEU A 7 -1.486 -3.340 5.377 1.00 0.00 H +ATOM 134 HD22 LEU A 7 -0.290 -2.450 4.406 1.00 0.00 H +ATOM 135 HD23 LEU A 7 -1.040 -1.673 5.795 1.00 0.00 H +ATOM 136 N LYS A 8 -2.770 -4.540 0.248 1.00 0.00 N +ATOM 137 CA LYS A 8 -3.034 -5.773 -0.517 1.00 0.00 C +ATOM 138 C LYS A 8 -1.772 -6.426 -1.091 1.00 0.00 C +ATOM 139 O LYS A 8 -1.728 -7.650 -1.174 1.00 0.00 O +ATOM 140 CB LYS A 8 -4.047 -5.506 -1.649 1.00 0.00 C +ATOM 141 CG LYS A 8 -5.490 -5.877 -1.287 1.00 0.00 C +ATOM 142 CD LYS A 8 -5.698 -7.403 -1.249 1.00 0.00 C +ATOM 143 CE LYS A 8 -7.160 -7.768 -0.972 1.00 0.00 C +ATOM 144 NZ LYS A 8 -8.019 -7.558 -2.161 1.00 0.00 N +ATOM 145 H LYS A 8 -3.298 -3.699 0.023 1.00 0.00 H +ATOM 146 HA LYS A 8 -3.441 -6.510 0.174 1.00 0.00 H +ATOM 147 HB2 LYS A 8 -4.017 -4.461 -1.891 1.00 0.00 H +ATOM 148 HB3 LYS A 8 -3.763 -6.070 -2.541 1.00 0.00 H +ATOM 149 HG2 LYS A 8 -5.721 -5.471 -0.321 1.00 0.00 H +ATOM 150 HG3 LYS A 8 -6.147 -5.448 -2.044 1.00 0.00 H +ATOM 151 HD2 LYS A 8 -5.409 -7.817 -2.196 1.00 0.00 H +ATOM 152 HD3 LYS A 8 -5.085 -7.829 -0.456 1.00 0.00 H +ATOM 153 HE2 LYS A 8 -7.211 -8.801 -0.686 1.00 0.00 H +ATOM 154 HE3 LYS A 8 -7.517 -7.163 -0.132 1.00 0.00 H +ATOM 155 HZ1 LYS A 8 -7.967 -6.595 -2.466 1.00 0.00 H +ATOM 156 HZ2 LYS A 8 -7.713 -8.153 -2.920 1.00 0.00 H +ATOM 157 HZ3 LYS A 8 -8.983 -7.781 -1.944 1.00 0.00 H +ATOM 158 N ASP A 9 -0.765 -5.631 -1.463 1.00 0.00 N +ATOM 159 CA ASP A 9 0.519 -6.121 -1.972 1.00 0.00 C +ATOM 160 C ASP A 9 1.445 -6.678 -0.865 1.00 0.00 C +ATOM 161 O ASP A 9 2.350 -7.452 -1.161 1.00 0.00 O +ATOM 162 CB ASP A 9 1.192 -4.971 -2.744 1.00 0.00 C +ATOM 163 CG ASP A 9 2.106 -5.477 -3.863 1.00 0.00 C +ATOM 164 OD1 ASP A 9 1.541 -5.942 -4.878 1.00 0.00 O +ATOM 165 OD2 ASP A 9 3.339 -5.352 -3.715 1.00 0.00 O +ATOM 166 H ASP A 9 -0.913 -4.632 -1.417 1.00 0.00 H +ATOM 167 HA ASP A 9 0.324 -6.932 -2.676 1.00 0.00 H +ATOM 168 HB2 ASP A 9 0.429 -4.352 -3.175 1.00 0.00 H +ATOM 169 HB3 ASP A 9 1.743 -4.334 -2.055 1.00 0.00 H +ATOM 170 N GLY A 10 1.199 -6.324 0.409 1.00 0.00 N +ATOM 171 CA GLY A 10 2.035 -6.695 1.561 1.00 0.00 C +ATOM 172 C GLY A 10 2.549 -5.516 2.405 1.00 0.00 C +ATOM 173 O GLY A 10 3.396 -5.721 3.280 1.00 0.00 O +ATOM 174 H GLY A 10 0.336 -5.822 0.592 1.00 0.00 H +ATOM 175 HA2 GLY A 10 1.449 -7.339 2.217 1.00 0.00 H +ATOM 176 HA3 GLY A 10 2.902 -7.263 1.226 1.00 0.00 H +ATOM 177 N GLY A 11 2.066 -4.289 2.167 1.00 0.00 N +ATOM 178 CA GLY A 11 2.482 -3.079 2.879 1.00 0.00 C +ATOM 179 C GLY A 11 4.013 -2.881 2.908 1.00 0.00 C +ATOM 180 O GLY A 11 4.621 -2.749 1.846 1.00 0.00 O +ATOM 181 H GLY A 11 1.409 -4.178 1.404 1.00 0.00 H +ATOM 182 HA2 GLY A 11 2.044 -2.219 2.376 1.00 0.00 H +ATOM 183 HA3 GLY A 11 2.076 -3.118 3.887 1.00 0.00 H +ATOM 184 N PRO A 12 4.676 -2.846 4.086 1.00 0.00 N +ATOM 185 CA PRO A 12 6.134 -2.696 4.170 1.00 0.00 C +ATOM 186 C PRO A 12 6.928 -3.774 3.419 1.00 0.00 C +ATOM 187 O PRO A 12 8.047 -3.516 2.983 1.00 0.00 O +ATOM 188 CB PRO A 12 6.477 -2.732 5.665 1.00 0.00 C +ATOM 189 CG PRO A 12 5.171 -2.350 6.354 1.00 0.00 C +ATOM 190 CD PRO A 12 4.103 -2.919 5.422 1.00 0.00 C +ATOM 191 HA PRO A 12 6.404 -1.720 3.765 1.00 0.00 H +ATOM 192 HB2 PRO A 12 6.791 -3.715 5.961 1.00 0.00 H +ATOM 193 HB3 PRO A 12 7.280 -2.035 5.906 1.00 0.00 H +ATOM 194 HG2 PRO A 12 5.107 -2.794 7.329 1.00 0.00 H +ATOM 195 HG3 PRO A 12 5.083 -1.262 6.389 1.00 0.00 H +ATOM 196 HD2 PRO A 12 3.883 -3.937 5.681 1.00 0.00 H +ATOM 197 HD3 PRO A 12 3.191 -2.329 5.510 1.00 0.00 H +ATOM 198 N SER A 13 6.360 -4.977 3.249 1.00 0.00 N +ATOM 199 CA SER A 13 7.010 -6.099 2.562 1.00 0.00 C +ATOM 200 C SER A 13 6.911 -6.017 1.027 1.00 0.00 C +ATOM 201 O SER A 13 7.428 -6.898 0.345 1.00 0.00 O +ATOM 202 CB SER A 13 6.444 -7.423 3.092 1.00 0.00 C +ATOM 203 OG SER A 13 6.672 -7.521 4.489 1.00 0.00 O +ATOM 204 H SER A 13 5.417 -5.134 3.594 1.00 0.00 H +ATOM 205 HA SER A 13 8.075 -6.080 2.799 1.00 0.00 H +ATOM 206 HB2 SER A 13 5.389 -7.461 2.900 1.00 0.00 H +ATOM 207 HB3 SER A 13 6.937 -8.259 2.596 1.00 0.00 H +ATOM 208 HG SER A 13 7.611 -7.422 4.660 1.00 0.00 H +ATOM 209 N SER A 14 6.292 -4.962 0.480 1.00 0.00 N +ATOM 210 CA SER A 14 6.048 -4.754 -0.957 1.00 0.00 C +ATOM 211 C SER A 14 7.176 -4.018 -1.697 1.00 0.00 C +ATOM 212 O SER A 14 7.059 -3.747 -2.892 1.00 0.00 O +ATOM 213 CB SER A 14 4.777 -3.919 -1.127 1.00 0.00 C +ATOM 214 OG SER A 14 3.709 -4.470 -0.389 1.00 0.00 O +ATOM 215 H SER A 14 5.828 -4.305 1.101 1.00 0.00 H +ATOM 216 HA SER A 14 5.888 -5.719 -1.440 1.00 0.00 H +ATOM 217 HB2 SER A 14 4.964 -2.920 -0.782 1.00 0.00 H +ATOM 218 HB3 SER A 14 4.508 -3.877 -2.181 1.00 0.00 H +ATOM 219 HG SER A 14 2.926 -3.939 -0.562 1.00 0.00 H +ATOM 220 N GLY A 15 8.243 -3.596 -1.007 1.00 0.00 N +ATOM 221 CA GLY A 15 9.361 -2.835 -1.585 1.00 0.00 C +ATOM 222 C GLY A 15 9.056 -1.352 -1.859 1.00 0.00 C +ATOM 223 O GLY A 15 9.930 -0.509 -1.670 1.00 0.00 O +ATOM 224 H GLY A 15 8.265 -3.821 -0.022 1.00 0.00 H +ATOM 225 HA2 GLY A 15 10.215 -2.889 -0.911 1.00 0.00 H +ATOM 226 HA3 GLY A 15 9.653 -3.296 -2.529 1.00 0.00 H +ATOM 227 N ARG A 16 7.831 -1.015 -2.290 1.00 0.00 N +ATOM 228 CA ARG A 16 7.367 0.368 -2.493 1.00 0.00 C +ATOM 229 C ARG A 16 6.877 0.999 -1.170 1.00 0.00 C +ATOM 230 O ARG A 16 6.119 0.344 -0.451 1.00 0.00 O +ATOM 231 CB ARG A 16 6.250 0.369 -3.554 1.00 0.00 C +ATOM 232 CG ARG A 16 5.874 1.792 -3.992 1.00 0.00 C +ATOM 233 CD ARG A 16 4.768 1.802 -5.052 1.00 0.00 C +ATOM 234 NE ARG A 16 4.592 3.152 -5.624 1.00 0.00 N +ATOM 235 CZ ARG A 16 5.342 3.725 -6.562 1.00 0.00 C +ATOM 236 NH1 ARG A 16 6.353 3.099 -7.118 1.00 0.00 N +ATOM 237 NH2 ARG A 16 5.089 4.951 -6.960 1.00 0.00 N +ATOM 238 H ARG A 16 7.202 -1.790 -2.478 1.00 0.00 H +ATOM 239 HA ARG A 16 8.215 0.937 -2.874 1.00 0.00 H +ATOM 240 HB2 ARG A 16 6.587 -0.180 -4.412 1.00 0.00 H +ATOM 241 HB3 ARG A 16 5.369 -0.141 -3.162 1.00 0.00 H +ATOM 242 HG2 ARG A 16 5.534 2.339 -3.134 1.00 0.00 H +ATOM 243 HG3 ARG A 16 6.762 2.274 -4.401 1.00 0.00 H +ATOM 244 HD2 ARG A 16 5.029 1.120 -5.838 1.00 0.00 H +ATOM 245 HD3 ARG A 16 3.833 1.483 -4.587 1.00 0.00 H +ATOM 246 HE ARG A 16 3.843 3.705 -5.240 1.00 0.00 H +ATOM 247 HH11 ARG A 16 6.545 2.161 -6.819 1.00 0.00 H +ATOM 248 HH12 ARG A 16 6.918 3.536 -7.824 1.00 0.00 H +ATOM 249 HH21 ARG A 16 4.328 5.470 -6.560 1.00 0.00 H +ATOM 250 HH22 ARG A 16 5.659 5.373 -7.669 1.00 0.00 H +ATOM 251 N PRO A 17 7.221 2.269 -0.859 1.00 0.00 N +ATOM 252 CA PRO A 17 6.705 2.983 0.318 1.00 0.00 C +ATOM 253 C PRO A 17 5.183 3.245 0.249 1.00 0.00 C +ATOM 254 O PRO A 17 4.594 3.146 -0.833 1.00 0.00 O +ATOM 255 CB PRO A 17 7.498 4.298 0.370 1.00 0.00 C +ATOM 256 CG PRO A 17 7.885 4.544 -1.084 1.00 0.00 C +ATOM 257 CD PRO A 17 8.134 3.131 -1.601 1.00 0.00 C +ATOM 258 HA PRO A 17 6.917 2.397 1.214 1.00 0.00 H +ATOM 259 HB2 PRO A 17 6.889 5.098 0.744 1.00 0.00 H +ATOM 260 HB3 PRO A 17 8.399 4.155 0.967 1.00 0.00 H +ATOM 261 HG2 PRO A 17 7.088 5.020 -1.623 1.00 0.00 H +ATOM 262 HG3 PRO A 17 8.772 5.172 -1.170 1.00 0.00 H +ATOM 263 HD2 PRO A 17 7.928 3.076 -2.653 1.00 0.00 H +ATOM 264 HD3 PRO A 17 9.163 2.835 -1.385 1.00 0.00 H +ATOM 265 N PRO A 18 4.535 3.602 1.379 1.00 0.00 N +ATOM 266 CA PRO A 18 3.098 3.869 1.415 1.00 0.00 C +ATOM 267 C PRO A 18 2.719 5.165 0.669 1.00 0.00 C +ATOM 268 O PRO A 18 3.544 6.071 0.542 1.00 0.00 O +ATOM 269 CB PRO A 18 2.731 3.957 2.902 1.00 0.00 C +ATOM 270 CG PRO A 18 4.030 4.415 3.560 1.00 0.00 C +ATOM 271 CD PRO A 18 5.106 3.739 2.712 1.00 0.00 C +ATOM 272 HA PRO A 18 2.577 3.026 0.967 1.00 0.00 H +ATOM 273 HB2 PRO A 18 1.947 4.671 3.062 1.00 0.00 H +ATOM 274 HB3 PRO A 18 2.465 2.968 3.271 1.00 0.00 H +ATOM 275 HG2 PRO A 18 4.125 5.483 3.523 1.00 0.00 H +ATOM 276 HG3 PRO A 18 4.086 4.106 4.605 1.00 0.00 H +ATOM 277 HD2 PRO A 18 5.991 4.345 2.679 1.00 0.00 H +ATOM 278 HD3 PRO A 18 5.326 2.749 3.115 1.00 0.00 H +ATOM 279 N PRO A 19 1.459 5.284 0.203 1.00 0.00 N +ATOM 280 CA PRO A 19 0.978 6.448 -0.545 1.00 0.00 C +ATOM 281 C PRO A 19 0.572 7.643 0.336 1.00 0.00 C +ATOM 282 O PRO A 19 0.552 8.771 -0.151 1.00 0.00 O +ATOM 283 CB PRO A 19 -0.242 5.929 -1.311 1.00 0.00 C +ATOM 284 CG PRO A 19 -0.801 4.845 -0.388 1.00 0.00 C +ATOM 285 CD PRO A 19 0.449 4.236 0.235 1.00 0.00 C +ATOM 286 HA PRO A 19 1.734 6.784 -1.254 1.00 0.00 H +ATOM 287 HB2 PRO A 19 -0.960 6.711 -1.465 1.00 0.00 H +ATOM 288 HB3 PRO A 19 0.084 5.476 -2.248 1.00 0.00 H +ATOM 289 HG2 PRO A 19 -1.437 5.271 0.364 1.00 0.00 H +ATOM 290 HG3 PRO A 19 -1.352 4.094 -0.947 1.00 0.00 H +ATOM 291 HD2 PRO A 19 0.254 3.936 1.246 1.00 0.00 H +ATOM 292 HD3 PRO A 19 0.782 3.395 -0.374 1.00 0.00 H +ATOM 293 N SER A 20 0.203 7.390 1.598 1.00 0.00 N +ATOM 294 CA SER A 20 -0.287 8.373 2.572 1.00 0.00 C +ATOM 295 C SER A 20 -0.081 7.848 3.993 1.00 0.00 C +ATOM 296 O SER A 20 -0.913 6.978 4.355 1.00 0.00 O +ATOM 297 CB SER A 20 -1.774 8.674 2.311 1.00 0.00 C +ATOM 298 OG SER A 20 -2.506 7.508 2.636 1.00 0.00 O +ATOM 299 OXT SER A 20 0.876 8.292 4.654 1.00 0.00 O +ATOM 300 H SER A 20 0.248 6.431 1.907 1.00 0.00 H +ATOM 301 HA SER A 20 0.288 9.295 2.477 1.00 0.00 H +ATOM 302 HB2 SER A 20 -2.096 9.492 2.926 1.00 0.00 H +ATOM 303 HB3 SER A 20 -1.935 8.957 1.270 1.00 0.00 H +ATOM 304 HG SER A 20 -1.946 7.163 3.425 1.00 0.00 H +TER 305 SER A 20 +ENDMDL +MODEL 36 +ATOM 1 N ASN A 1 -8.345 5.007 0.601 1.00 0.00 N +ATOM 2 CA ASN A 1 -8.415 4.187 -0.632 1.00 0.00 C +ATOM 3 C ASN A 1 -7.045 3.669 -1.059 1.00 0.00 C +ATOM 4 O ASN A 1 -6.816 2.479 -0.901 1.00 0.00 O +ATOM 5 CB ASN A 1 -9.197 4.893 -1.758 1.00 0.00 C +ATOM 6 CG ASN A 1 -10.643 5.166 -1.337 1.00 0.00 C +ATOM 7 OD1 ASN A 1 -10.996 4.994 -0.179 1.00 0.00 O +ATOM 8 ND2 ASN A 1 -11.503 5.612 -2.232 1.00 0.00 N +ATOM 9 H1 ASN A 1 -7.873 4.502 1.338 1.00 0.00 H +ATOM 10 H2 ASN A 1 -7.870 5.880 0.423 1.00 0.00 H +ATOM 11 H3 ASN A 1 -9.297 5.207 0.895 1.00 0.00 H +ATOM 12 HA ASN A 1 -8.987 3.291 -0.382 1.00 0.00 H +ATOM 13 HB2 ASN A 1 -8.717 5.825 -1.987 1.00 0.00 H +ATOM 14 HB3 ASN A 1 -9.208 4.248 -2.640 1.00 0.00 H +ATOM 15 HD21 ASN A 1 -11.263 5.791 -3.194 1.00 0.00 H +ATOM 16 HD22 ASN A 1 -12.436 5.760 -1.880 1.00 0.00 H +ATOM 17 N LEU A 2 -6.121 4.518 -1.533 1.00 0.00 N +ATOM 18 CA LEU A 2 -4.809 4.093 -2.051 1.00 0.00 C +ATOM 19 C LEU A 2 -4.031 3.175 -1.085 1.00 0.00 C +ATOM 20 O LEU A 2 -3.434 2.185 -1.506 1.00 0.00 O +ATOM 21 CB LEU A 2 -3.963 5.337 -2.400 1.00 0.00 C +ATOM 22 CG LEU A 2 -4.300 6.102 -3.694 1.00 0.00 C +ATOM 23 CD1 LEU A 2 -4.155 5.211 -4.929 1.00 0.00 C +ATOM 24 CD2 LEU A 2 -5.687 6.754 -3.691 1.00 0.00 C +ATOM 25 H LEU A 2 -6.348 5.491 -1.680 1.00 0.00 H +ATOM 26 HA LEU A 2 -4.967 3.507 -2.957 1.00 0.00 H +ATOM 27 HB2 LEU A 2 -4.062 6.029 -1.586 1.00 0.00 H +ATOM 28 HB3 LEU A 2 -2.931 5.009 -2.510 1.00 0.00 H +ATOM 29 HG LEU A 2 -3.568 6.906 -3.783 1.00 0.00 H +ATOM 30 HD11 LEU A 2 -3.189 4.708 -4.910 1.00 0.00 H +ATOM 31 HD12 LEU A 2 -4.950 4.465 -4.963 1.00 0.00 H +ATOM 32 HD13 LEU A 2 -4.210 5.824 -5.829 1.00 0.00 H +ATOM 33 HD21 LEU A 2 -6.467 5.996 -3.738 1.00 0.00 H +ATOM 34 HD22 LEU A 2 -5.803 7.376 -2.804 1.00 0.00 H +ATOM 35 HD23 LEU A 2 -5.778 7.392 -4.570 1.00 0.00 H +ATOM 36 N TYR A 3 -4.080 3.473 0.219 1.00 0.00 N +ATOM 37 CA TYR A 3 -3.443 2.669 1.265 1.00 0.00 C +ATOM 38 C TYR A 3 -3.970 1.221 1.326 1.00 0.00 C +ATOM 39 O TYR A 3 -3.220 0.316 1.685 1.00 0.00 O +ATOM 40 CB TYR A 3 -3.618 3.386 2.614 1.00 0.00 C +ATOM 41 CG TYR A 3 -2.451 3.202 3.563 1.00 0.00 C +ATOM 42 CD1 TYR A 3 -2.336 2.022 4.319 1.00 0.00 C +ATOM 43 CD2 TYR A 3 -1.484 4.220 3.700 1.00 0.00 C +ATOM 44 CE1 TYR A 3 -1.266 1.859 5.218 1.00 0.00 C +ATOM 45 CE2 TYR A 3 -0.422 4.070 4.610 1.00 0.00 C +ATOM 46 CZ TYR A 3 -0.314 2.887 5.374 1.00 0.00 C +ATOM 47 OH TYR A 3 0.689 2.738 6.281 1.00 0.00 O +ATOM 48 H TYR A 3 -4.533 4.332 0.484 1.00 0.00 H +ATOM 49 HA TYR A 3 -2.376 2.623 1.045 1.00 0.00 H +ATOM 50 HB2 TYR A 3 -3.738 4.435 2.426 1.00 0.00 H +ATOM 51 HB3 TYR A 3 -4.533 3.034 3.097 1.00 0.00 H +ATOM 52 HD1 TYR A 3 -3.073 1.242 4.208 1.00 0.00 H +ATOM 53 HD2 TYR A 3 -1.561 5.130 3.117 1.00 0.00 H +ATOM 54 HE1 TYR A 3 -1.168 0.961 5.808 1.00 0.00 H +ATOM 55 HE2 TYR A 3 0.304 4.861 4.721 1.00 0.00 H +ATOM 56 HH TYR A 3 1.122 3.570 6.477 1.00 0.00 H +ATOM 57 N ILE A 4 -5.233 0.982 0.940 1.00 0.00 N +ATOM 58 CA ILE A 4 -5.848 -0.352 0.877 1.00 0.00 C +ATOM 59 C ILE A 4 -5.163 -1.178 -0.214 1.00 0.00 C +ATOM 60 O ILE A 4 -4.701 -2.283 0.059 1.00 0.00 O +ATOM 61 CB ILE A 4 -7.377 -0.269 0.636 1.00 0.00 C +ATOM 62 CG1 ILE A 4 -8.108 0.711 1.586 1.00 0.00 C +ATOM 63 CG2 ILE A 4 -8.024 -1.663 0.703 1.00 0.00 C +ATOM 64 CD1 ILE A 4 -8.003 0.381 3.081 1.00 0.00 C +ATOM 65 H ILE A 4 -5.759 1.748 0.533 1.00 0.00 H +ATOM 66 HA ILE A 4 -5.674 -0.861 1.826 1.00 0.00 H +ATOM 67 HB ILE A 4 -7.542 0.099 -0.378 1.00 0.00 H +ATOM 68 HG12 ILE A 4 -7.695 1.690 1.433 1.00 0.00 H +ATOM 69 HG13 ILE A 4 -9.164 0.739 1.316 1.00 0.00 H +ATOM 70 HG21 ILE A 4 -7.622 -2.307 -0.080 1.00 0.00 H +ATOM 71 HG22 ILE A 4 -7.834 -2.127 1.670 1.00 0.00 H +ATOM 72 HG23 ILE A 4 -9.101 -1.579 0.552 1.00 0.00 H +ATOM 73 HD11 ILE A 4 -8.525 -0.550 3.300 1.00 0.00 H +ATOM 74 HD12 ILE A 4 -6.959 0.295 3.382 1.00 0.00 H +ATOM 75 HD13 ILE A 4 -8.466 1.184 3.656 1.00 0.00 H +ATOM 76 N GLN A 5 -5.052 -0.619 -1.428 1.00 0.00 N +ATOM 77 CA GLN A 5 -4.299 -1.207 -2.540 1.00 0.00 C +ATOM 78 C GLN A 5 -2.854 -1.505 -2.123 1.00 0.00 C +ATOM 79 O GLN A 5 -2.421 -2.646 -2.248 1.00 0.00 O +ATOM 80 CB GLN A 5 -4.364 -0.280 -3.767 1.00 0.00 C +ATOM 81 CG GLN A 5 -5.703 -0.407 -4.512 1.00 0.00 C +ATOM 82 CD GLN A 5 -5.997 0.832 -5.354 1.00 0.00 C +ATOM 83 OE1 GLN A 5 -6.747 1.710 -4.957 1.00 0.00 O +ATOM 84 NE2 GLN A 5 -5.409 0.958 -6.528 1.00 0.00 N +ATOM 85 H GLN A 5 -5.422 0.315 -1.546 1.00 0.00 H +ATOM 86 HA GLN A 5 -4.752 -2.163 -2.806 1.00 0.00 H +ATOM 87 HB2 GLN A 5 -4.243 0.735 -3.441 1.00 0.00 H +ATOM 88 HB3 GLN A 5 -3.560 -0.532 -4.460 1.00 0.00 H +ATOM 89 HG2 GLN A 5 -5.663 -1.264 -5.156 1.00 0.00 H +ATOM 90 HG3 GLN A 5 -6.516 -0.529 -3.797 1.00 0.00 H +ATOM 91 HE21 GLN A 5 -4.765 0.277 -6.894 1.00 0.00 H +ATOM 92 HE22 GLN A 5 -5.664 1.794 -7.028 1.00 0.00 H +ATOM 93 N TRP A 6 -2.139 -0.521 -1.559 1.00 0.00 N +ATOM 94 CA TRP A 6 -0.764 -0.708 -1.080 1.00 0.00 C +ATOM 95 C TRP A 6 -0.621 -1.821 -0.023 1.00 0.00 C +ATOM 96 O TRP A 6 0.282 -2.655 -0.123 1.00 0.00 O +ATOM 97 CB TRP A 6 -0.226 0.624 -0.556 1.00 0.00 C +ATOM 98 CG TRP A 6 1.177 0.552 -0.041 1.00 0.00 C +ATOM 99 CD1 TRP A 6 2.291 0.506 -0.805 1.00 0.00 C +ATOM 100 CD2 TRP A 6 1.636 0.472 1.346 1.00 0.00 C +ATOM 101 NE1 TRP A 6 3.401 0.391 0.008 1.00 0.00 N +ATOM 102 CE2 TRP A 6 3.059 0.386 1.338 1.00 0.00 C +ATOM 103 CE3 TRP A 6 1.004 0.469 2.607 1.00 0.00 C +ATOM 104 CZ2 TRP A 6 3.822 0.325 2.511 1.00 0.00 C +ATOM 105 CZ3 TRP A 6 1.758 0.393 3.795 1.00 0.00 C +ATOM 106 CH2 TRP A 6 3.163 0.337 3.750 1.00 0.00 C +ATOM 107 H TRP A 6 -2.566 0.400 -1.493 1.00 0.00 H +ATOM 108 HA TRP A 6 -0.148 -1.012 -1.929 1.00 0.00 H +ATOM 109 HB2 TRP A 6 -0.256 1.338 -1.356 1.00 0.00 H +ATOM 110 HB3 TRP A 6 -0.872 0.979 0.246 1.00 0.00 H +ATOM 111 HD1 TRP A 6 2.305 0.538 -1.888 1.00 0.00 H +ATOM 112 HE1 TRP A 6 4.371 0.349 -0.315 1.00 0.00 H +ATOM 113 HE3 TRP A 6 -0.074 0.535 2.657 1.00 0.00 H +ATOM 114 HZ2 TRP A 6 4.900 0.268 2.446 1.00 0.00 H +ATOM 115 HZ3 TRP A 6 1.258 0.397 4.753 1.00 0.00 H +ATOM 116 HH2 TRP A 6 3.733 0.301 4.667 1.00 0.00 H +ATOM 117 N LEU A 7 -1.520 -1.885 0.971 1.00 0.00 N +ATOM 118 CA LEU A 7 -1.546 -3.008 1.915 1.00 0.00 C +ATOM 119 C LEU A 7 -1.821 -4.345 1.210 1.00 0.00 C +ATOM 120 O LEU A 7 -1.199 -5.346 1.565 1.00 0.00 O +ATOM 121 CB LEU A 7 -2.568 -2.758 3.038 1.00 0.00 C +ATOM 122 CG LEU A 7 -2.110 -1.733 4.094 1.00 0.00 C +ATOM 123 CD1 LEU A 7 -3.291 -1.398 5.011 1.00 0.00 C +ATOM 124 CD2 LEU A 7 -0.966 -2.250 4.977 1.00 0.00 C +ATOM 125 H LEU A 7 -2.224 -1.155 1.053 1.00 0.00 H +ATOM 126 HA LEU A 7 -0.553 -3.100 2.352 1.00 0.00 H +ATOM 127 HB2 LEU A 7 -3.476 -2.399 2.593 1.00 0.00 H +ATOM 128 HB3 LEU A 7 -2.769 -3.700 3.549 1.00 0.00 H +ATOM 129 HG LEU A 7 -1.780 -0.823 3.598 1.00 0.00 H +ATOM 130 HD11 LEU A 7 -4.097 -0.955 4.426 1.00 0.00 H +ATOM 131 HD12 LEU A 7 -3.659 -2.303 5.495 1.00 0.00 H +ATOM 132 HD13 LEU A 7 -2.979 -0.690 5.779 1.00 0.00 H +ATOM 133 HD21 LEU A 7 -1.320 -3.059 5.617 1.00 0.00 H +ATOM 134 HD22 LEU A 7 -0.139 -2.614 4.372 1.00 0.00 H +ATOM 135 HD23 LEU A 7 -0.594 -1.440 5.602 1.00 0.00 H +ATOM 136 N LYS A 8 -2.683 -4.366 0.182 1.00 0.00 N +ATOM 137 CA LYS A 8 -3.015 -5.563 -0.608 1.00 0.00 C +ATOM 138 C LYS A 8 -1.848 -6.159 -1.409 1.00 0.00 C +ATOM 139 O LYS A 8 -1.978 -7.286 -1.891 1.00 0.00 O +ATOM 140 CB LYS A 8 -4.151 -5.246 -1.594 1.00 0.00 C +ATOM 141 CG LYS A 8 -5.168 -6.394 -1.663 1.00 0.00 C +ATOM 142 CD LYS A 8 -5.900 -6.429 -3.012 1.00 0.00 C +ATOM 143 CE LYS A 8 -5.280 -7.448 -3.983 1.00 0.00 C +ATOM 144 NZ LYS A 8 -3.846 -7.183 -4.280 1.00 0.00 N +ATOM 145 H LYS A 8 -3.170 -3.498 -0.036 1.00 0.00 H +ATOM 146 HA LYS A 8 -3.348 -6.330 0.093 1.00 0.00 H +ATOM 147 HB2 LYS A 8 -4.653 -4.353 -1.273 1.00 0.00 H +ATOM 148 HB3 LYS A 8 -3.719 -5.054 -2.577 1.00 0.00 H +ATOM 149 HG2 LYS A 8 -4.651 -7.324 -1.524 1.00 0.00 H +ATOM 150 HG3 LYS A 8 -5.894 -6.248 -0.863 1.00 0.00 H +ATOM 151 HD2 LYS A 8 -6.926 -6.694 -2.842 1.00 0.00 H +ATOM 152 HD3 LYS A 8 -5.919 -5.435 -3.463 1.00 0.00 H +ATOM 153 HE2 LYS A 8 -5.363 -8.426 -3.549 1.00 0.00 H +ATOM 154 HE3 LYS A 8 -5.865 -7.435 -4.907 1.00 0.00 H +ATOM 155 HZ1 LYS A 8 -3.724 -6.252 -4.654 1.00 0.00 H +ATOM 156 HZ2 LYS A 8 -3.274 -7.269 -3.437 1.00 0.00 H +ATOM 157 HZ3 LYS A 8 -3.500 -7.847 -4.959 1.00 0.00 H +ATOM 158 N ASP A 9 -0.761 -5.409 -1.606 1.00 0.00 N +ATOM 159 CA ASP A 9 0.518 -5.887 -2.146 1.00 0.00 C +ATOM 160 C ASP A 9 1.477 -6.413 -1.062 1.00 0.00 C +ATOM 161 O ASP A 9 2.507 -6.993 -1.402 1.00 0.00 O +ATOM 162 CB ASP A 9 1.203 -4.746 -2.916 1.00 0.00 C +ATOM 163 CG ASP A 9 0.565 -4.528 -4.288 1.00 0.00 C +ATOM 164 OD1 ASP A 9 0.935 -5.288 -5.208 1.00 0.00 O +ATOM 165 OD2 ASP A 9 -0.287 -3.621 -4.405 1.00 0.00 O +ATOM 166 H ASP A 9 -0.838 -4.424 -1.369 1.00 0.00 H +ATOM 167 HA ASP A 9 0.340 -6.709 -2.843 1.00 0.00 H +ATOM 168 HB2 ASP A 9 1.118 -3.841 -2.345 1.00 0.00 H +ATOM 169 HB3 ASP A 9 2.251 -4.998 -3.073 1.00 0.00 H +ATOM 170 N GLY A 10 1.166 -6.210 0.226 1.00 0.00 N +ATOM 171 CA GLY A 10 1.990 -6.622 1.367 1.00 0.00 C +ATOM 172 C GLY A 10 2.542 -5.464 2.208 1.00 0.00 C +ATOM 173 O GLY A 10 3.334 -5.711 3.115 1.00 0.00 O +ATOM 174 H GLY A 10 0.272 -5.773 0.437 1.00 0.00 H +ATOM 175 HA2 GLY A 10 1.386 -7.249 2.021 1.00 0.00 H +ATOM 176 HA3 GLY A 10 2.837 -7.217 1.024 1.00 0.00 H +ATOM 177 N GLY A 11 2.159 -4.210 1.925 1.00 0.00 N +ATOM 178 CA GLY A 11 2.661 -3.046 2.655 1.00 0.00 C +ATOM 179 C GLY A 11 4.200 -2.979 2.631 1.00 0.00 C +ATOM 180 O GLY A 11 4.782 -3.116 1.550 1.00 0.00 O +ATOM 181 H GLY A 11 1.535 -4.045 1.144 1.00 0.00 H +ATOM 182 HA2 GLY A 11 2.267 -2.143 2.192 1.00 0.00 H +ATOM 183 HA3 GLY A 11 2.290 -3.099 3.676 1.00 0.00 H +ATOM 184 N PRO A 12 4.884 -2.799 3.785 1.00 0.00 N +ATOM 185 CA PRO A 12 6.347 -2.733 3.841 1.00 0.00 C +ATOM 186 C PRO A 12 7.047 -3.937 3.195 1.00 0.00 C +ATOM 187 O PRO A 12 8.110 -3.775 2.595 1.00 0.00 O +ATOM 188 CB PRO A 12 6.717 -2.624 5.327 1.00 0.00 C +ATOM 189 CG PRO A 12 5.445 -2.101 5.991 1.00 0.00 C +ATOM 190 CD PRO A 12 4.334 -2.698 5.130 1.00 0.00 C +ATOM 191 HA PRO A 12 6.671 -1.826 3.329 1.00 0.00 H +ATOM 192 HB2 PRO A 12 6.987 -3.584 5.724 1.00 0.00 H +ATOM 193 HB3 PRO A 12 7.555 -1.942 5.483 1.00 0.00 H +ATOM 194 HG2 PRO A 12 5.372 -2.442 7.006 1.00 0.00 H +ATOM 195 HG3 PRO A 12 5.418 -1.013 5.926 1.00 0.00 H +ATOM 196 HD2 PRO A 12 4.059 -3.669 5.495 1.00 0.00 H +ATOM 197 HD3 PRO A 12 3.452 -2.058 5.170 1.00 0.00 H +ATOM 198 N SER A 13 6.446 -5.136 3.263 1.00 0.00 N +ATOM 199 CA SER A 13 7.011 -6.363 2.690 1.00 0.00 C +ATOM 200 C SER A 13 7.149 -6.316 1.165 1.00 0.00 C +ATOM 201 O SER A 13 7.983 -7.035 0.623 1.00 0.00 O +ATOM 202 CB SER A 13 6.153 -7.573 3.073 1.00 0.00 C +ATOM 203 OG SER A 13 6.053 -7.692 4.480 1.00 0.00 O +ATOM 204 H SER A 13 5.546 -5.219 3.725 1.00 0.00 H +ATOM 205 HA SER A 13 8.010 -6.507 3.102 1.00 0.00 H +ATOM 206 HB2 SER A 13 5.170 -7.453 2.659 1.00 0.00 H +ATOM 207 HB3 SER A 13 6.605 -8.481 2.668 1.00 0.00 H +ATOM 208 HG SER A 13 6.911 -7.936 4.835 1.00 0.00 H +ATOM 209 N SER A 14 6.381 -5.460 0.473 1.00 0.00 N +ATOM 210 CA SER A 14 6.506 -5.250 -0.977 1.00 0.00 C +ATOM 211 C SER A 14 7.628 -4.264 -1.351 1.00 0.00 C +ATOM 212 O SER A 14 7.865 -4.012 -2.530 1.00 0.00 O +ATOM 213 CB SER A 14 5.167 -4.770 -1.558 1.00 0.00 C +ATOM 214 OG SER A 14 4.894 -5.465 -2.757 1.00 0.00 O +ATOM 215 H SER A 14 5.734 -4.866 0.986 1.00 0.00 H +ATOM 216 HA SER A 14 6.748 -6.210 -1.440 1.00 0.00 H +ATOM 217 HB2 SER A 14 4.383 -4.958 -0.850 1.00 0.00 H +ATOM 218 HB3 SER A 14 5.209 -3.700 -1.766 1.00 0.00 H +ATOM 219 HG SER A 14 3.943 -5.622 -2.814 1.00 0.00 H +ATOM 220 N GLY A 15 8.305 -3.650 -0.369 1.00 0.00 N +ATOM 221 CA GLY A 15 9.425 -2.723 -0.566 1.00 0.00 C +ATOM 222 C GLY A 15 9.041 -1.328 -1.080 1.00 0.00 C +ATOM 223 O GLY A 15 9.718 -0.356 -0.750 1.00 0.00 O +ATOM 224 H GLY A 15 8.061 -3.868 0.595 1.00 0.00 H +ATOM 225 HA2 GLY A 15 9.946 -2.602 0.385 1.00 0.00 H +ATOM 226 HA3 GLY A 15 10.124 -3.163 -1.277 1.00 0.00 H +ATOM 227 N ARG A 16 7.963 -1.202 -1.869 1.00 0.00 N +ATOM 228 CA ARG A 16 7.437 0.089 -2.339 1.00 0.00 C +ATOM 229 C ARG A 16 6.901 0.917 -1.155 1.00 0.00 C +ATOM 230 O ARG A 16 6.143 0.369 -0.352 1.00 0.00 O +ATOM 231 CB ARG A 16 6.345 -0.153 -3.399 1.00 0.00 C +ATOM 232 CG ARG A 16 6.052 1.130 -4.193 1.00 0.00 C +ATOM 233 CD ARG A 16 5.045 0.908 -5.333 1.00 0.00 C +ATOM 234 NE ARG A 16 5.431 1.681 -6.532 1.00 0.00 N +ATOM 235 CZ ARG A 16 5.978 1.218 -7.653 1.00 0.00 C +ATOM 236 NH1 ARG A 16 6.157 -0.064 -7.871 1.00 0.00 N +ATOM 237 NH2 ARG A 16 6.370 2.053 -8.588 1.00 0.00 N +ATOM 238 H ARG A 16 7.514 -2.068 -2.147 1.00 0.00 H +ATOM 239 HA ARG A 16 8.272 0.615 -2.801 1.00 0.00 H +ATOM 240 HB2 ARG A 16 6.677 -0.916 -4.076 1.00 0.00 H +ATOM 241 HB3 ARG A 16 5.432 -0.513 -2.923 1.00 0.00 H +ATOM 242 HG2 ARG A 16 5.653 1.865 -3.521 1.00 0.00 H +ATOM 243 HG3 ARG A 16 6.992 1.485 -4.616 1.00 0.00 H +ATOM 244 HD2 ARG A 16 5.018 -0.136 -5.581 1.00 0.00 H +ATOM 245 HD3 ARG A 16 4.058 1.230 -4.997 1.00 0.00 H +ATOM 246 HE ARG A 16 5.320 2.679 -6.467 1.00 0.00 H +ATOM 247 HH11 ARG A 16 5.847 -0.713 -7.171 1.00 0.00 H +ATOM 248 HH12 ARG A 16 6.562 -0.400 -8.725 1.00 0.00 H +ATOM 249 HH21 ARG A 16 6.273 3.046 -8.463 1.00 0.00 H +ATOM 250 HH22 ARG A 16 6.787 1.699 -9.428 1.00 0.00 H +ATOM 251 N PRO A 17 7.223 2.224 -1.040 1.00 0.00 N +ATOM 252 CA PRO A 17 6.725 3.069 0.048 1.00 0.00 C +ATOM 253 C PRO A 17 5.198 3.267 -0.012 1.00 0.00 C +ATOM 254 O PRO A 17 4.600 3.082 -1.075 1.00 0.00 O +ATOM 255 CB PRO A 17 7.472 4.402 -0.100 1.00 0.00 C +ATOM 256 CG PRO A 17 7.803 4.461 -1.589 1.00 0.00 C +ATOM 257 CD PRO A 17 8.084 2.999 -1.923 1.00 0.00 C +ATOM 258 HA PRO A 17 6.988 2.611 1.003 1.00 0.00 H +ATOM 259 HB2 PRO A 17 6.847 5.226 0.187 1.00 0.00 H +ATOM 260 HB3 PRO A 17 8.397 4.366 0.477 1.00 0.00 H +ATOM 261 HG2 PRO A 17 6.973 4.836 -2.156 1.00 0.00 H +ATOM 262 HG3 PRO A 17 8.662 5.098 -1.791 1.00 0.00 H +ATOM 263 HD2 PRO A 17 7.847 2.797 -2.950 1.00 0.00 H +ATOM 264 HD3 PRO A 17 9.128 2.763 -1.708 1.00 0.00 H +ATOM 265 N PRO A 18 4.558 3.663 1.109 1.00 0.00 N +ATOM 266 CA PRO A 18 3.118 3.895 1.157 1.00 0.00 C +ATOM 267 C PRO A 18 2.704 5.139 0.350 1.00 0.00 C +ATOM 268 O PRO A 18 3.494 6.075 0.206 1.00 0.00 O +ATOM 269 CB PRO A 18 2.775 4.055 2.641 1.00 0.00 C +ATOM 270 CG PRO A 18 4.071 4.582 3.251 1.00 0.00 C +ATOM 271 CD PRO A 18 5.151 3.896 2.419 1.00 0.00 C +ATOM 272 HA PRO A 18 2.608 3.020 0.760 1.00 0.00 H +ATOM 273 HB2 PRO A 18 1.974 4.756 2.776 1.00 0.00 H +ATOM 274 HB3 PRO A 18 2.543 3.080 3.070 1.00 0.00 H +ATOM 275 HG2 PRO A 18 4.134 5.649 3.159 1.00 0.00 H +ATOM 276 HG3 PRO A 18 4.154 4.332 4.308 1.00 0.00 H +ATOM 277 HD2 PRO A 18 6.013 4.529 2.331 1.00 0.00 H +ATOM 278 HD3 PRO A 18 5.412 2.939 2.872 1.00 0.00 H +ATOM 279 N PRO A 19 1.454 5.184 -0.142 1.00 0.00 N +ATOM 280 CA PRO A 19 0.910 6.335 -0.849 1.00 0.00 C +ATOM 281 C PRO A 19 0.561 7.461 0.136 1.00 0.00 C +ATOM 282 O PRO A 19 -0.109 7.228 1.144 1.00 0.00 O +ATOM 283 CB PRO A 19 -0.325 5.804 -1.578 1.00 0.00 C +ATOM 284 CG PRO A 19 -0.816 4.675 -0.671 1.00 0.00 C +ATOM 285 CD PRO A 19 0.464 4.121 -0.057 1.00 0.00 C +ATOM 286 HA PRO A 19 1.631 6.703 -1.581 1.00 0.00 H +ATOM 287 HB2 PRO A 19 -1.071 6.569 -1.676 1.00 0.00 H +ATOM 288 HB3 PRO A 19 -0.024 5.388 -2.541 1.00 0.00 H +ATOM 289 HG2 PRO A 19 -1.472 5.053 0.089 1.00 0.00 H +ATOM 290 HG3 PRO A 19 -1.335 3.905 -1.236 1.00 0.00 H +ATOM 291 HD2 PRO A 19 0.297 3.850 0.968 1.00 0.00 H +ATOM 292 HD3 PRO A 19 0.811 3.272 -0.645 1.00 0.00 H +ATOM 293 N SER A 20 1.026 8.673 -0.178 1.00 0.00 N +ATOM 294 CA SER A 20 0.698 9.933 0.494 1.00 0.00 C +ATOM 295 C SER A 20 -0.638 10.528 0.034 1.00 0.00 C +ATOM 296 O SER A 20 -1.052 10.270 -1.120 1.00 0.00 O +ATOM 297 CB SER A 20 1.845 10.928 0.290 1.00 0.00 C +ATOM 298 OG SER A 20 2.324 10.900 -1.046 1.00 0.00 O +ATOM 299 OXT SER A 20 -1.231 11.239 0.875 1.00 0.00 O +ATOM 300 H SER A 20 1.554 8.807 -1.028 1.00 0.00 H +ATOM 301 HA SER A 20 0.586 9.752 1.561 1.00 0.00 H +ATOM 302 HB2 SER A 20 1.493 11.917 0.514 1.00 0.00 H +ATOM 303 HB3 SER A 20 2.664 10.654 0.959 1.00 0.00 H +ATOM 304 HG SER A 20 2.939 11.625 -1.177 1.00 0.00 H +TER 305 SER A 20 +ENDMDL +MODEL 37 +ATOM 1 N ASN A 1 -5.798 7.479 0.401 1.00 0.00 N +ATOM 2 CA ASN A 1 -6.588 7.022 -0.767 1.00 0.00 C +ATOM 3 C ASN A 1 -6.199 5.613 -1.207 1.00 0.00 C +ATOM 4 O ASN A 1 -7.021 4.713 -1.096 1.00 0.00 O +ATOM 5 CB ASN A 1 -6.557 8.030 -1.932 1.00 0.00 C +ATOM 6 CG ASN A 1 -7.956 8.586 -2.147 1.00 0.00 C +ATOM 7 OD1 ASN A 1 -8.343 9.541 -1.498 1.00 0.00 O +ATOM 8 ND2 ASN A 1 -8.767 7.973 -2.991 1.00 0.00 N +ATOM 9 H1 ASN A 1 -5.816 6.777 1.127 1.00 0.00 H +ATOM 10 H2 ASN A 1 -4.838 7.655 0.131 1.00 0.00 H +ATOM 11 H3 ASN A 1 -6.193 8.335 0.767 1.00 0.00 H +ATOM 12 HA ASN A 1 -7.627 6.938 -0.443 1.00 0.00 H +ATOM 13 HB2 ASN A 1 -5.884 8.832 -1.696 1.00 0.00 H +ATOM 14 HB3 ASN A 1 -6.214 7.562 -2.856 1.00 0.00 H +ATOM 15 HD21 ASN A 1 -8.509 7.171 -3.541 1.00 0.00 H +ATOM 16 HD22 ASN A 1 -9.676 8.400 -3.071 1.00 0.00 H +ATOM 17 N LEU A 2 -4.963 5.401 -1.676 1.00 0.00 N +ATOM 18 CA LEU A 2 -4.527 4.127 -2.262 1.00 0.00 C +ATOM 19 C LEU A 2 -4.002 3.108 -1.223 1.00 0.00 C +ATOM 20 O LEU A 2 -3.490 2.051 -1.588 1.00 0.00 O +ATOM 21 CB LEU A 2 -3.515 4.448 -3.386 1.00 0.00 C +ATOM 22 CG LEU A 2 -3.518 3.386 -4.508 1.00 0.00 C +ATOM 23 CD1 LEU A 2 -3.924 3.985 -5.857 1.00 0.00 C +ATOM 24 CD2 LEU A 2 -2.165 2.687 -4.652 1.00 0.00 C +ATOM 25 H LEU A 2 -4.310 6.167 -1.771 1.00 0.00 H +ATOM 26 HA LEU A 2 -5.403 3.668 -2.726 1.00 0.00 H +ATOM 27 HB2 LEU A 2 -3.766 5.400 -3.813 1.00 0.00 H +ATOM 28 HB3 LEU A 2 -2.516 4.554 -2.964 1.00 0.00 H +ATOM 29 HG LEU A 2 -4.262 2.639 -4.267 1.00 0.00 H +ATOM 30 HD11 LEU A 2 -4.932 4.396 -5.784 1.00 0.00 H +ATOM 31 HD12 LEU A 2 -3.228 4.767 -6.155 1.00 0.00 H +ATOM 32 HD13 LEU A 2 -3.936 3.199 -6.614 1.00 0.00 H +ATOM 33 HD21 LEU A 2 -1.412 3.394 -5.001 1.00 0.00 H +ATOM 34 HD22 LEU A 2 -1.857 2.272 -3.692 1.00 0.00 H +ATOM 35 HD23 LEU A 2 -2.253 1.872 -5.370 1.00 0.00 H +ATOM 36 N TYR A 3 -4.143 3.405 0.077 1.00 0.00 N +ATOM 37 CA TYR A 3 -3.594 2.622 1.192 1.00 0.00 C +ATOM 38 C TYR A 3 -4.041 1.158 1.165 1.00 0.00 C +ATOM 39 O TYR A 3 -3.239 0.261 1.408 1.00 0.00 O +ATOM 40 CB TYR A 3 -3.976 3.276 2.532 1.00 0.00 C +ATOM 41 CG TYR A 3 -2.857 3.224 3.553 1.00 0.00 C +ATOM 42 CD1 TYR A 3 -2.508 2.017 4.182 1.00 0.00 C +ATOM 43 CD2 TYR A 3 -2.132 4.392 3.837 1.00 0.00 C +ATOM 44 CE1 TYR A 3 -1.412 1.972 5.068 1.00 0.00 C +ATOM 45 CE2 TYR A 3 -1.039 4.360 4.722 1.00 0.00 C +ATOM 46 CZ TYR A 3 -0.662 3.140 5.323 1.00 0.00 C +ATOM 47 OH TYR A 3 0.439 3.086 6.118 1.00 0.00 O +ATOM 48 H TYR A 3 -4.628 4.258 0.296 1.00 0.00 H +ATOM 49 HA TYR A 3 -2.507 2.635 1.105 1.00 0.00 H +ATOM 50 HB2 TYR A 3 -4.228 4.303 2.352 1.00 0.00 H +ATOM 51 HB3 TYR A 3 -4.863 2.793 2.949 1.00 0.00 H +ATOM 52 HD1 TYR A 3 -3.069 1.122 3.968 1.00 0.00 H +ATOM 53 HD2 TYR A 3 -2.417 5.309 3.354 1.00 0.00 H +ATOM 54 HE1 TYR A 3 -1.123 1.050 5.550 1.00 0.00 H +ATOM 55 HE2 TYR A 3 -0.485 5.260 4.942 1.00 0.00 H +ATOM 56 HH TYR A 3 0.954 3.895 6.046 1.00 0.00 H +ATOM 57 N ILE A 4 -5.313 0.913 0.819 1.00 0.00 N +ATOM 58 CA ILE A 4 -5.875 -0.433 0.687 1.00 0.00 C +ATOM 59 C ILE A 4 -5.150 -1.213 -0.419 1.00 0.00 C +ATOM 60 O ILE A 4 -4.782 -2.367 -0.218 1.00 0.00 O +ATOM 61 CB ILE A 4 -7.404 -0.376 0.441 1.00 0.00 C +ATOM 62 CG1 ILE A 4 -8.133 0.538 1.461 1.00 0.00 C +ATOM 63 CG2 ILE A 4 -7.996 -1.794 0.489 1.00 0.00 C +ATOM 64 CD1 ILE A 4 -8.579 1.867 0.834 1.00 0.00 C +ATOM 65 H ILE A 4 -5.909 1.712 0.664 1.00 0.00 H +ATOM 66 HA ILE A 4 -5.703 -0.963 1.625 1.00 0.00 H +ATOM 67 HB ILE A 4 -7.582 0.014 -0.564 1.00 0.00 H +ATOM 68 HG12 ILE A 4 -8.999 0.022 1.830 1.00 0.00 H +ATOM 69 HG13 ILE A 4 -7.484 0.744 2.314 1.00 0.00 H +ATOM 70 HG21 ILE A 4 -7.610 -2.395 -0.333 1.00 0.00 H +ATOM 71 HG22 ILE A 4 -7.734 -2.278 1.431 1.00 0.00 H +ATOM 72 HG23 ILE A 4 -9.082 -1.752 0.406 1.00 0.00 H +ATOM 73 HD11 ILE A 4 -7.781 2.293 0.225 1.00 0.00 H +ATOM 74 HD12 ILE A 4 -9.456 1.698 0.209 1.00 0.00 H +ATOM 75 HD13 ILE A 4 -8.839 2.575 1.623 1.00 0.00 H +ATOM 76 N GLN A 5 -4.916 -0.587 -1.582 1.00 0.00 N +ATOM 77 CA GLN A 5 -4.177 -1.207 -2.684 1.00 0.00 C +ATOM 78 C GLN A 5 -2.695 -1.416 -2.351 1.00 0.00 C +ATOM 79 O GLN A 5 -2.131 -2.431 -2.746 1.00 0.00 O +ATOM 80 CB GLN A 5 -4.323 -0.379 -3.966 1.00 0.00 C +ATOM 81 CG GLN A 5 -5.742 -0.393 -4.567 1.00 0.00 C +ATOM 82 CD GLN A 5 -6.425 0.974 -4.548 1.00 0.00 C +ATOM 83 OE1 GLN A 5 -6.408 1.714 -5.514 1.00 0.00 O +ATOM 84 NE2 GLN A 5 -7.071 1.361 -3.464 1.00 0.00 N +ATOM 85 H GLN A 5 -5.081 0.408 -1.625 1.00 0.00 H +ATOM 86 HA GLN A 5 -4.585 -2.193 -2.872 1.00 0.00 H +ATOM 87 HB2 GLN A 5 -4.062 0.637 -3.742 1.00 0.00 H +ATOM 88 HB3 GLN A 5 -3.636 -0.777 -4.715 1.00 0.00 H +ATOM 89 HG2 GLN A 5 -5.677 -0.726 -5.585 1.00 0.00 H +ATOM 90 HG3 GLN A 5 -6.369 -1.116 -4.046 1.00 0.00 H +ATOM 91 HE21 GLN A 5 -7.192 0.797 -2.646 1.00 0.00 H +ATOM 92 HE22 GLN A 5 -7.525 2.252 -3.586 1.00 0.00 H +ATOM 93 N TRP A 6 -2.077 -0.504 -1.595 1.00 0.00 N +ATOM 94 CA TRP A 6 -0.720 -0.701 -1.084 1.00 0.00 C +ATOM 95 C TRP A 6 -0.636 -1.874 -0.089 1.00 0.00 C +ATOM 96 O TRP A 6 0.249 -2.721 -0.206 1.00 0.00 O +ATOM 97 CB TRP A 6 -0.212 0.612 -0.482 1.00 0.00 C +ATOM 98 CG TRP A 6 1.182 0.533 0.054 1.00 0.00 C +ATOM 99 CD1 TRP A 6 2.314 0.521 -0.685 1.00 0.00 C +ATOM 100 CD2 TRP A 6 1.608 0.404 1.443 1.00 0.00 C +ATOM 101 NE1 TRP A 6 3.408 0.380 0.147 1.00 0.00 N +ATOM 102 CE2 TRP A 6 3.031 0.317 1.470 1.00 0.00 C +ATOM 103 CE3 TRP A 6 0.937 0.364 2.685 1.00 0.00 C +ATOM 104 CZ2 TRP A 6 3.755 0.214 2.665 1.00 0.00 C +ATOM 105 CZ3 TRP A 6 1.654 0.247 3.892 1.00 0.00 C +ATOM 106 CH2 TRP A 6 3.057 0.179 3.883 1.00 0.00 C +ATOM 107 H TRP A 6 -2.581 0.349 -1.361 1.00 0.00 H +ATOM 108 HA TRP A 6 -0.070 -0.958 -1.922 1.00 0.00 H +ATOM 109 HB2 TRP A 6 -0.239 1.366 -1.245 1.00 0.00 H +ATOM 110 HB3 TRP A 6 -0.876 0.919 0.324 1.00 0.00 H +ATOM 111 HD1 TRP A 6 2.354 0.591 -1.764 1.00 0.00 H +ATOM 112 HE1 TRP A 6 4.380 0.346 -0.171 1.00 0.00 H +ATOM 113 HE3 TRP A 6 -0.140 0.441 2.699 1.00 0.00 H +ATOM 114 HZ2 TRP A 6 4.832 0.162 2.632 1.00 0.00 H +ATOM 115 HZ3 TRP A 6 1.123 0.229 4.833 1.00 0.00 H +ATOM 116 HH2 TRP A 6 3.599 0.110 4.815 1.00 0.00 H +ATOM 117 N LEU A 7 -1.578 -1.972 0.862 1.00 0.00 N +ATOM 118 CA LEU A 7 -1.635 -3.091 1.807 1.00 0.00 C +ATOM 119 C LEU A 7 -1.938 -4.442 1.140 1.00 0.00 C +ATOM 120 O LEU A 7 -1.409 -5.445 1.613 1.00 0.00 O +ATOM 121 CB LEU A 7 -2.649 -2.806 2.929 1.00 0.00 C +ATOM 122 CG LEU A 7 -2.162 -1.784 3.974 1.00 0.00 C +ATOM 123 CD1 LEU A 7 -3.325 -1.421 4.903 1.00 0.00 C +ATOM 124 CD2 LEU A 7 -1.020 -2.318 4.848 1.00 0.00 C +ATOM 125 H LEU A 7 -2.263 -1.224 0.945 1.00 0.00 H +ATOM 126 HA LEU A 7 -0.647 -3.201 2.250 1.00 0.00 H +ATOM 127 HB2 LEU A 7 -3.548 -2.428 2.482 1.00 0.00 H +ATOM 128 HB3 LEU A 7 -2.870 -3.739 3.450 1.00 0.00 H +ATOM 129 HG LEU A 7 -1.826 -0.882 3.469 1.00 0.00 H +ATOM 130 HD11 LEU A 7 -4.144 -0.999 4.320 1.00 0.00 H +ATOM 131 HD12 LEU A 7 -3.677 -2.310 5.426 1.00 0.00 H +ATOM 132 HD13 LEU A 7 -2.996 -0.686 5.638 1.00 0.00 H +ATOM 133 HD21 LEU A 7 -1.350 -3.197 5.402 1.00 0.00 H +ATOM 134 HD22 LEU A 7 -0.162 -2.584 4.235 1.00 0.00 H +ATOM 135 HD23 LEU A 7 -0.705 -1.549 5.553 1.00 0.00 H +ATOM 136 N LYS A 8 -2.727 -4.482 0.050 1.00 0.00 N +ATOM 137 CA LYS A 8 -3.029 -5.712 -0.710 1.00 0.00 C +ATOM 138 C LYS A 8 -1.781 -6.486 -1.146 1.00 0.00 C +ATOM 139 O LYS A 8 -1.824 -7.713 -1.157 1.00 0.00 O +ATOM 140 CB LYS A 8 -3.877 -5.403 -1.959 1.00 0.00 C +ATOM 141 CG LYS A 8 -5.382 -5.303 -1.680 1.00 0.00 C +ATOM 142 CD LYS A 8 -6.121 -4.820 -2.936 1.00 0.00 C +ATOM 143 CE LYS A 8 -7.604 -4.569 -2.640 1.00 0.00 C +ATOM 144 NZ LYS A 8 -8.094 -3.337 -3.303 1.00 0.00 N +ATOM 145 H LYS A 8 -3.183 -3.613 -0.220 1.00 0.00 H +ATOM 146 HA LYS A 8 -3.587 -6.394 -0.066 1.00 0.00 H +ATOM 147 HB2 LYS A 8 -3.547 -4.468 -2.369 1.00 0.00 H +ATOM 148 HB3 LYS A 8 -3.735 -6.199 -2.691 1.00 0.00 H +ATOM 149 HG2 LYS A 8 -5.755 -6.268 -1.398 1.00 0.00 H +ATOM 150 HG3 LYS A 8 -5.561 -4.609 -0.862 1.00 0.00 H +ATOM 151 HD2 LYS A 8 -5.672 -3.907 -3.278 1.00 0.00 H +ATOM 152 HD3 LYS A 8 -6.030 -5.569 -3.726 1.00 0.00 H +ATOM 153 HE2 LYS A 8 -8.176 -5.405 -2.994 1.00 0.00 H +ATOM 154 HE3 LYS A 8 -7.739 -4.483 -1.558 1.00 0.00 H +ATOM 155 HZ1 LYS A 8 -7.671 -2.528 -2.870 1.00 0.00 H +ATOM 156 HZ2 LYS A 8 -7.852 -3.348 -4.286 1.00 0.00 H +ATOM 157 HZ3 LYS A 8 -9.100 -3.265 -3.217 1.00 0.00 H +ATOM 158 N ASP A 9 -0.706 -5.789 -1.524 1.00 0.00 N +ATOM 159 CA ASP A 9 0.553 -6.406 -1.949 1.00 0.00 C +ATOM 160 C ASP A 9 1.294 -7.047 -0.758 1.00 0.00 C +ATOM 161 O ASP A 9 1.606 -8.237 -0.786 1.00 0.00 O +ATOM 162 CB ASP A 9 1.394 -5.344 -2.675 1.00 0.00 C +ATOM 163 CG ASP A 9 2.486 -5.969 -3.549 1.00 0.00 C +ATOM 164 OD1 ASP A 9 3.523 -6.378 -2.986 1.00 0.00 O +ATOM 165 OD2 ASP A 9 2.263 -6.015 -4.778 1.00 0.00 O +ATOM 166 H ASP A 9 -0.768 -4.780 -1.507 1.00 0.00 H +ATOM 167 HA ASP A 9 0.326 -7.201 -2.662 1.00 0.00 H +ATOM 168 HB2 ASP A 9 0.747 -4.757 -3.298 1.00 0.00 H +ATOM 169 HB3 ASP A 9 1.836 -4.661 -1.952 1.00 0.00 H +ATOM 170 N GLY A 10 1.509 -6.275 0.317 1.00 0.00 N +ATOM 171 CA GLY A 10 2.156 -6.749 1.545 1.00 0.00 C +ATOM 172 C GLY A 10 2.683 -5.650 2.474 1.00 0.00 C +ATOM 173 O GLY A 10 3.675 -5.864 3.179 1.00 0.00 O +ATOM 174 H GLY A 10 1.256 -5.305 0.206 1.00 0.00 H +ATOM 175 HA2 GLY A 10 1.435 -7.344 2.107 1.00 0.00 H +ATOM 176 HA3 GLY A 10 2.991 -7.399 1.279 1.00 0.00 H +ATOM 177 N GLY A 11 2.059 -4.463 2.477 1.00 0.00 N +ATOM 178 CA GLY A 11 2.499 -3.312 3.269 1.00 0.00 C +ATOM 179 C GLY A 11 3.991 -2.994 3.056 1.00 0.00 C +ATOM 180 O GLY A 11 4.434 -2.979 1.903 1.00 0.00 O +ATOM 181 H GLY A 11 1.253 -4.352 1.879 1.00 0.00 H +ATOM 182 HA2 GLY A 11 1.923 -2.437 2.974 1.00 0.00 H +ATOM 183 HA3 GLY A 11 2.296 -3.527 4.316 1.00 0.00 H +ATOM 184 N PRO A 12 4.793 -2.762 4.118 1.00 0.00 N +ATOM 185 CA PRO A 12 6.229 -2.487 3.995 1.00 0.00 C +ATOM 186 C PRO A 12 7.028 -3.585 3.274 1.00 0.00 C +ATOM 187 O PRO A 12 8.076 -3.294 2.700 1.00 0.00 O +ATOM 188 CB PRO A 12 6.752 -2.306 5.426 1.00 0.00 C +ATOM 189 CG PRO A 12 5.507 -2.017 6.260 1.00 0.00 C +ATOM 190 CD PRO A 12 4.401 -2.765 5.520 1.00 0.00 C +ATOM 191 HA PRO A 12 6.358 -1.552 3.450 1.00 0.00 H +ATOM 192 HB2 PRO A 12 7.237 -3.200 5.768 1.00 0.00 H +ATOM 193 HB3 PRO A 12 7.469 -1.487 5.487 1.00 0.00 H +ATOM 194 HG2 PRO A 12 5.620 -2.390 7.260 1.00 0.00 H +ATOM 195 HG3 PRO A 12 5.297 -0.947 6.247 1.00 0.00 H +ATOM 196 HD2 PRO A 12 4.322 -3.771 5.884 1.00 0.00 H +ATOM 197 HD3 PRO A 12 3.446 -2.266 5.679 1.00 0.00 H +ATOM 198 N SER A 13 6.542 -4.835 3.272 1.00 0.00 N +ATOM 199 CA SER A 13 7.225 -5.960 2.613 1.00 0.00 C +ATOM 200 C SER A 13 7.090 -5.923 1.084 1.00 0.00 C +ATOM 201 O SER A 13 7.812 -6.639 0.397 1.00 0.00 O +ATOM 202 CB SER A 13 6.715 -7.304 3.143 1.00 0.00 C +ATOM 203 OG SER A 13 6.868 -7.384 4.548 1.00 0.00 O +ATOM 204 H SER A 13 5.615 -5.000 3.652 1.00 0.00 H +ATOM 205 HA SER A 13 8.289 -5.899 2.846 1.00 0.00 H +ATOM 206 HB2 SER A 13 5.676 -7.407 2.896 1.00 0.00 H +ATOM 207 HB3 SER A 13 7.295 -8.107 2.686 1.00 0.00 H +ATOM 208 HG SER A 13 6.175 -6.863 4.961 1.00 0.00 H +ATOM 209 N SER A 14 6.215 -5.060 0.547 1.00 0.00 N +ATOM 210 CA SER A 14 5.985 -4.853 -0.893 1.00 0.00 C +ATOM 211 C SER A 14 7.162 -4.169 -1.609 1.00 0.00 C +ATOM 212 O SER A 14 7.144 -4.019 -2.829 1.00 0.00 O +ATOM 213 CB SER A 14 4.753 -3.963 -1.131 1.00 0.00 C +ATOM 214 OG SER A 14 3.717 -4.170 -0.195 1.00 0.00 O +ATOM 215 H SER A 14 5.645 -4.521 1.187 1.00 0.00 H +ATOM 216 HA SER A 14 5.802 -5.822 -1.361 1.00 0.00 H +ATOM 217 HB2 SER A 14 5.060 -2.936 -1.075 1.00 0.00 H +ATOM 218 HB3 SER A 14 4.378 -4.145 -2.137 1.00 0.00 H +ATOM 219 HG SER A 14 3.940 -3.652 0.618 1.00 0.00 H +ATOM 220 N GLY A 15 8.149 -3.648 -0.867 1.00 0.00 N +ATOM 221 CA GLY A 15 9.308 -2.922 -1.397 1.00 0.00 C +ATOM 222 C GLY A 15 9.025 -1.456 -1.756 1.00 0.00 C +ATOM 223 O GLY A 15 9.889 -0.604 -1.556 1.00 0.00 O +ATOM 224 H GLY A 15 8.079 -3.767 0.134 1.00 0.00 H +ATOM 225 HA2 GLY A 15 10.105 -2.947 -0.656 1.00 0.00 H +ATOM 226 HA3 GLY A 15 9.666 -3.429 -2.292 1.00 0.00 H +ATOM 227 N ARG A 16 7.825 -1.141 -2.266 1.00 0.00 N +ATOM 228 CA ARG A 16 7.373 0.232 -2.551 1.00 0.00 C +ATOM 229 C ARG A 16 6.899 0.948 -1.262 1.00 0.00 C +ATOM 230 O ARG A 16 6.146 0.343 -0.492 1.00 0.00 O +ATOM 231 CB ARG A 16 6.251 0.175 -3.606 1.00 0.00 C +ATOM 232 CG ARG A 16 5.730 1.567 -4.005 1.00 0.00 C +ATOM 233 CD ARG A 16 4.469 1.519 -4.875 1.00 0.00 C +ATOM 234 NE ARG A 16 4.763 1.758 -6.300 1.00 0.00 N +ATOM 235 CZ ARG A 16 3.916 2.227 -7.208 1.00 0.00 C +ATOM 236 NH1 ARG A 16 2.658 2.472 -6.918 1.00 0.00 N +ATOM 237 NH2 ARG A 16 4.320 2.468 -8.433 1.00 0.00 N +ATOM 238 H ARG A 16 7.201 -1.921 -2.440 1.00 0.00 H +ATOM 239 HA ARG A 16 8.223 0.770 -2.970 1.00 0.00 H +ATOM 240 HB2 ARG A 16 6.631 -0.312 -4.483 1.00 0.00 H +ATOM 241 HB3 ARG A 16 5.424 -0.414 -3.204 1.00 0.00 H +ATOM 242 HG2 ARG A 16 5.505 2.115 -3.110 1.00 0.00 H +ATOM 243 HG3 ARG A 16 6.516 2.126 -4.513 1.00 0.00 H +ATOM 244 HD2 ARG A 16 4.016 0.551 -4.774 1.00 0.00 H +ATOM 245 HD3 ARG A 16 3.800 2.303 -4.511 1.00 0.00 H +ATOM 246 HE ARG A 16 5.706 1.581 -6.603 1.00 0.00 H +ATOM 247 HH11 ARG A 16 2.347 2.274 -5.983 1.00 0.00 H +ATOM 248 HH12 ARG A 16 2.019 2.829 -7.604 1.00 0.00 H +ATOM 249 HH21 ARG A 16 5.274 2.298 -8.697 1.00 0.00 H +ATOM 250 HH22 ARG A 16 3.671 2.823 -9.112 1.00 0.00 H +ATOM 251 N PRO A 17 7.238 2.239 -1.049 1.00 0.00 N +ATOM 252 CA PRO A 17 6.752 3.031 0.091 1.00 0.00 C +ATOM 253 C PRO A 17 5.220 3.248 0.078 1.00 0.00 C +ATOM 254 O PRO A 17 4.591 3.120 -0.974 1.00 0.00 O +ATOM 255 CB PRO A 17 7.502 4.368 0.005 1.00 0.00 C +ATOM 256 CG PRO A 17 7.850 4.499 -1.475 1.00 0.00 C +ATOM 257 CD PRO A 17 8.119 3.053 -1.878 1.00 0.00 C +ATOM 258 HA PRO A 17 7.029 2.523 1.014 1.00 0.00 H +ATOM 259 HB2 PRO A 17 6.875 5.179 0.323 1.00 0.00 H +ATOM 260 HB3 PRO A 17 8.421 4.310 0.590 1.00 0.00 H +ATOM 261 HG2 PRO A 17 7.030 4.911 -2.031 1.00 0.00 H +ATOM 262 HG3 PRO A 17 8.722 5.135 -1.635 1.00 0.00 H +ATOM 263 HD2 PRO A 17 7.895 2.907 -2.917 1.00 0.00 H +ATOM 264 HD3 PRO A 17 9.157 2.796 -1.662 1.00 0.00 H +ATOM 265 N PRO A 18 4.609 3.598 1.230 1.00 0.00 N +ATOM 266 CA PRO A 18 3.169 3.836 1.328 1.00 0.00 C +ATOM 267 C PRO A 18 2.742 5.156 0.656 1.00 0.00 C +ATOM 268 O PRO A 18 3.546 6.084 0.554 1.00 0.00 O +ATOM 269 CB PRO A 18 2.862 3.850 2.829 1.00 0.00 C +ATOM 270 CG PRO A 18 4.166 4.332 3.459 1.00 0.00 C +ATOM 271 CD PRO A 18 5.241 3.765 2.532 1.00 0.00 C +ATOM 272 HA PRO A 18 2.644 3.006 0.861 1.00 0.00 H +ATOM 273 HB2 PRO A 18 2.058 4.525 3.049 1.00 0.00 H +ATOM 274 HB3 PRO A 18 2.652 2.837 3.167 1.00 0.00 H +ATOM 275 HG2 PRO A 18 4.207 5.404 3.483 1.00 0.00 H +ATOM 276 HG3 PRO A 18 4.282 3.964 4.478 1.00 0.00 H +ATOM 277 HD2 PRO A 18 6.067 4.446 2.460 1.00 0.00 H +ATOM 278 HD3 PRO A 18 5.572 2.793 2.901 1.00 0.00 H +ATOM 279 N PRO A 19 1.469 5.271 0.226 1.00 0.00 N +ATOM 280 CA PRO A 19 0.934 6.477 -0.411 1.00 0.00 C +ATOM 281 C PRO A 19 0.511 7.576 0.577 1.00 0.00 C +ATOM 282 O PRO A 19 0.337 8.718 0.154 1.00 0.00 O +ATOM 283 CB PRO A 19 -0.292 5.993 -1.191 1.00 0.00 C +ATOM 284 CG PRO A 19 -0.802 4.823 -0.346 1.00 0.00 C +ATOM 285 CD PRO A 19 0.482 4.200 0.195 1.00 0.00 C +ATOM 286 HA PRO A 19 1.665 6.898 -1.103 1.00 0.00 H +ATOM 287 HB2 PRO A 19 -1.032 6.767 -1.264 1.00 0.00 H +ATOM 288 HB3 PRO A 19 0.019 5.632 -2.172 1.00 0.00 H +ATOM 289 HG2 PRO A 19 -1.428 5.170 0.453 1.00 0.00 H +ATOM 290 HG3 PRO A 19 -1.362 4.109 -0.947 1.00 0.00 H +ATOM 291 HD2 PRO A 19 0.321 3.813 1.183 1.00 0.00 H +ATOM 292 HD3 PRO A 19 0.825 3.424 -0.490 1.00 0.00 H +ATOM 293 N SER A 20 0.305 7.237 1.858 1.00 0.00 N +ATOM 294 CA SER A 20 -0.121 8.153 2.922 1.00 0.00 C +ATOM 295 C SER A 20 0.633 7.935 4.225 1.00 0.00 C +ATOM 296 O SER A 20 1.271 6.865 4.365 1.00 0.00 O +ATOM 297 CB SER A 20 -1.606 7.996 3.229 1.00 0.00 C +ATOM 298 OG SER A 20 -1.979 9.152 3.934 1.00 0.00 O +ATOM 299 OXT SER A 20 0.418 8.818 5.086 1.00 0.00 O +ATOM 300 H SER A 20 0.556 6.306 2.160 1.00 0.00 H +ATOM 301 HA SER A 20 0.065 9.179 2.607 1.00 0.00 H +ATOM 302 HB2 SER A 20 -2.169 7.916 2.319 1.00 0.00 H +ATOM 303 HB3 SER A 20 -1.742 7.145 3.893 1.00 0.00 H +ATOM 304 HG SER A 20 -1.222 9.307 4.547 1.00 0.00 H +TER 305 SER A 20 +ENDMDL +MODEL 38 +ATOM 1 N ASN A 1 -6.430 7.268 -0.166 1.00 0.00 N +ATOM 2 CA ASN A 1 -7.338 6.541 -1.083 1.00 0.00 C +ATOM 3 C ASN A 1 -6.741 5.186 -1.487 1.00 0.00 C +ATOM 4 O ASN A 1 -7.302 4.173 -1.103 1.00 0.00 O +ATOM 5 CB ASN A 1 -7.816 7.420 -2.263 1.00 0.00 C +ATOM 6 CG ASN A 1 -6.722 7.736 -3.278 1.00 0.00 C +ATOM 7 OD1 ASN A 1 -6.455 6.960 -4.175 1.00 0.00 O +ATOM 8 ND2 ASN A 1 -5.989 8.824 -3.136 1.00 0.00 N +ATOM 9 H1 ASN A 1 -6.139 6.658 0.586 1.00 0.00 H +ATOM 10 H2 ASN A 1 -5.611 7.592 -0.664 1.00 0.00 H +ATOM 11 H3 ASN A 1 -6.908 8.064 0.234 1.00 0.00 H +ATOM 12 HA ASN A 1 -8.233 6.285 -0.514 1.00 0.00 H +ATOM 13 HB2 ASN A 1 -8.609 6.904 -2.770 1.00 0.00 H +ATOM 14 HB3 ASN A 1 -8.228 8.355 -1.876 1.00 0.00 H +ATOM 15 HD21 ASN A 1 -6.187 9.584 -2.506 1.00 0.00 H +ATOM 16 HD22 ASN A 1 -5.321 8.935 -3.885 1.00 0.00 H +ATOM 17 N LEU A 2 -5.581 5.139 -2.154 1.00 0.00 N +ATOM 18 CA LEU A 2 -4.935 3.924 -2.679 1.00 0.00 C +ATOM 19 C LEU A 2 -4.238 3.028 -1.631 1.00 0.00 C +ATOM 20 O LEU A 2 -3.619 2.024 -1.985 1.00 0.00 O +ATOM 21 CB LEU A 2 -3.974 4.371 -3.806 1.00 0.00 C +ATOM 22 CG LEU A 2 -4.642 4.256 -5.191 1.00 0.00 C +ATOM 23 CD1 LEU A 2 -3.992 5.215 -6.190 1.00 0.00 C +ATOM 24 CD2 LEU A 2 -4.527 2.822 -5.718 1.00 0.00 C +ATOM 25 H LEU A 2 -5.206 6.000 -2.526 1.00 0.00 H +ATOM 26 HA LEU A 2 -5.713 3.296 -3.117 1.00 0.00 H +ATOM 27 HB2 LEU A 2 -3.690 5.392 -3.639 1.00 0.00 H +ATOM 28 HB3 LEU A 2 -3.065 3.769 -3.800 1.00 0.00 H +ATOM 29 HG LEU A 2 -5.698 4.515 -5.115 1.00 0.00 H +ATOM 30 HD11 LEU A 2 -4.204 6.242 -5.892 1.00 0.00 H +ATOM 31 HD12 LEU A 2 -2.915 5.058 -6.224 1.00 0.00 H +ATOM 32 HD13 LEU A 2 -4.414 5.054 -7.182 1.00 0.00 H +ATOM 33 HD21 LEU A 2 -3.478 2.549 -5.839 1.00 0.00 H +ATOM 34 HD22 LEU A 2 -4.998 2.131 -5.020 1.00 0.00 H +ATOM 35 HD23 LEU A 2 -5.031 2.745 -6.681 1.00 0.00 H +ATOM 36 N TYR A 3 -4.360 3.359 -0.340 1.00 0.00 N +ATOM 37 CA TYR A 3 -3.724 2.648 0.772 1.00 0.00 C +ATOM 38 C TYR A 3 -4.137 1.169 0.856 1.00 0.00 C +ATOM 39 O TYR A 3 -3.317 0.329 1.227 1.00 0.00 O +ATOM 40 CB TYR A 3 -4.029 3.379 2.090 1.00 0.00 C +ATOM 41 CG TYR A 3 -2.887 3.312 3.082 1.00 0.00 C +ATOM 42 CD1 TYR A 3 -1.861 4.274 3.013 1.00 0.00 C +ATOM 43 CD2 TYR A 3 -2.830 2.295 4.054 1.00 0.00 C +ATOM 44 CE1 TYR A 3 -0.765 4.215 3.892 1.00 0.00 C +ATOM 45 CE2 TYR A 3 -1.745 2.242 4.951 1.00 0.00 C +ATOM 46 CZ TYR A 3 -0.706 3.197 4.866 1.00 0.00 C +ATOM 47 OH TYR A 3 0.351 3.124 5.717 1.00 0.00 O +ATOM 48 H TYR A 3 -4.937 4.156 -0.129 1.00 0.00 H +ATOM 49 HA TYR A 3 -2.646 2.676 0.609 1.00 0.00 H +ATOM 50 HB2 TYR A 3 -4.231 4.410 1.870 1.00 0.00 H +ATOM 51 HB3 TYR A 3 -4.934 2.967 2.541 1.00 0.00 H +ATOM 52 HD1 TYR A 3 -1.912 5.069 2.285 1.00 0.00 H +ATOM 53 HD2 TYR A 3 -3.617 1.558 4.111 1.00 0.00 H +ATOM 54 HE1 TYR A 3 0.013 4.960 3.818 1.00 0.00 H +ATOM 55 HE2 TYR A 3 -1.685 1.473 5.706 1.00 0.00 H +ATOM 56 HH TYR A 3 1.074 3.686 5.430 1.00 0.00 H +ATOM 57 N ILE A 4 -5.379 0.841 0.456 1.00 0.00 N +ATOM 58 CA ILE A 4 -5.867 -0.543 0.382 1.00 0.00 C +ATOM 59 C ILE A 4 -4.972 -1.370 -0.545 1.00 0.00 C +ATOM 60 O ILE A 4 -4.513 -2.431 -0.139 1.00 0.00 O +ATOM 61 CB ILE A 4 -7.351 -0.631 -0.056 1.00 0.00 C +ATOM 62 CG1 ILE A 4 -8.267 0.276 0.803 1.00 0.00 C +ATOM 63 CG2 ILE A 4 -7.848 -2.085 0.043 1.00 0.00 C +ATOM 64 CD1 ILE A 4 -8.626 1.595 0.106 1.00 0.00 C +ATOM 65 H ILE A 4 -5.992 1.589 0.165 1.00 0.00 H +ATOM 66 HA ILE A 4 -5.785 -0.978 1.379 1.00 0.00 H +ATOM 67 HB ILE A 4 -7.431 -0.341 -1.106 1.00 0.00 H +ATOM 68 HG12 ILE A 4 -9.174 -0.257 1.016 1.00 0.00 H +ATOM 69 HG13 ILE A 4 -7.782 0.492 1.756 1.00 0.00 H +ATOM 70 HG21 ILE A 4 -7.271 -2.734 -0.616 1.00 0.00 H +ATOM 71 HG22 ILE A 4 -7.761 -2.445 1.069 1.00 0.00 H +ATOM 72 HG23 ILE A 4 -8.892 -2.140 -0.270 1.00 0.00 H +ATOM 73 HD11 ILE A 4 -7.974 1.772 -0.749 1.00 0.00 H +ATOM 74 HD12 ILE A 4 -9.658 1.551 -0.248 1.00 0.00 H +ATOM 75 HD13 ILE A 4 -8.528 2.422 0.809 1.00 0.00 H +ATOM 76 N GLN A 5 -4.692 -0.874 -1.757 1.00 0.00 N +ATOM 77 CA GLN A 5 -3.867 -1.563 -2.751 1.00 0.00 C +ATOM 78 C GLN A 5 -2.445 -1.809 -2.222 1.00 0.00 C +ATOM 79 O GLN A 5 -1.929 -2.921 -2.330 1.00 0.00 O +ATOM 80 CB GLN A 5 -3.847 -0.743 -4.058 1.00 0.00 C +ATOM 81 CG GLN A 5 -3.727 -1.623 -5.311 1.00 0.00 C +ATOM 82 CD GLN A 5 -5.084 -2.186 -5.734 1.00 0.00 C +ATOM 83 OE1 GLN A 5 -5.698 -2.984 -5.042 1.00 0.00 O +ATOM 84 NE2 GLN A 5 -5.615 -1.776 -6.871 1.00 0.00 N +ATOM 85 H GLN A 5 -5.036 0.048 -1.986 1.00 0.00 H +ATOM 86 HA GLN A 5 -4.323 -2.535 -2.945 1.00 0.00 H +ATOM 87 HB2 GLN A 5 -4.757 -0.178 -4.122 1.00 0.00 H +ATOM 88 HB3 GLN A 5 -3.011 -0.043 -4.034 1.00 0.00 H +ATOM 89 HG2 GLN A 5 -3.329 -1.033 -6.114 1.00 0.00 H +ATOM 90 HG3 GLN A 5 -3.035 -2.447 -5.128 1.00 0.00 H +ATOM 91 HE21 GLN A 5 -5.153 -1.128 -7.485 1.00 0.00 H +ATOM 92 HE22 GLN A 5 -6.510 -2.185 -7.079 1.00 0.00 H +ATOM 93 N TRP A 6 -1.839 -0.788 -1.599 1.00 0.00 N +ATOM 94 CA TRP A 6 -0.525 -0.892 -0.956 1.00 0.00 C +ATOM 95 C TRP A 6 -0.505 -1.946 0.161 1.00 0.00 C +ATOM 96 O TRP A 6 0.383 -2.798 0.180 1.00 0.00 O +ATOM 97 CB TRP A 6 -0.095 0.486 -0.442 1.00 0.00 C +ATOM 98 CG TRP A 6 1.244 0.517 0.231 1.00 0.00 C +ATOM 99 CD1 TRP A 6 2.442 0.440 -0.391 1.00 0.00 C +ATOM 100 CD2 TRP A 6 1.543 0.573 1.661 1.00 0.00 C +ATOM 101 NE1 TRP A 6 3.455 0.482 0.546 1.00 0.00 N +ATOM 102 CE2 TRP A 6 2.959 0.563 1.826 1.00 0.00 C +ATOM 103 CE3 TRP A 6 0.765 0.602 2.836 1.00 0.00 C +ATOM 104 CZ2 TRP A 6 3.578 0.610 3.082 1.00 0.00 C +ATOM 105 CZ3 TRP A 6 1.375 0.609 4.105 1.00 0.00 C +ATOM 106 CH2 TRP A 6 2.774 0.632 4.232 1.00 0.00 C +ATOM 107 H TRP A 6 -2.350 0.086 -1.539 1.00 0.00 H +ATOM 108 HA TRP A 6 0.198 -1.218 -1.705 1.00 0.00 H +ATOM 109 HB2 TRP A 6 -0.064 1.159 -1.277 1.00 0.00 H +ATOM 110 HB3 TRP A 6 -0.841 0.856 0.262 1.00 0.00 H +ATOM 111 HD1 TRP A 6 2.583 0.342 -1.457 1.00 0.00 H +ATOM 112 HE1 TRP A 6 4.453 0.438 0.329 1.00 0.00 H +ATOM 113 HE3 TRP A 6 -0.312 0.606 2.755 1.00 0.00 H +ATOM 114 HZ2 TRP A 6 4.655 0.607 3.156 1.00 0.00 H +ATOM 115 HZ3 TRP A 6 0.762 0.609 4.996 1.00 0.00 H +ATOM 116 HH2 TRP A 6 3.223 0.656 5.215 1.00 0.00 H +ATOM 117 N LEU A 7 -1.495 -1.933 1.067 1.00 0.00 N +ATOM 118 CA LEU A 7 -1.631 -2.979 2.085 1.00 0.00 C +ATOM 119 C LEU A 7 -1.880 -4.365 1.470 1.00 0.00 C +ATOM 120 O LEU A 7 -1.286 -5.334 1.938 1.00 0.00 O +ATOM 121 CB LEU A 7 -2.736 -2.618 3.092 1.00 0.00 C +ATOM 122 CG LEU A 7 -2.373 -1.484 4.072 1.00 0.00 C +ATOM 123 CD1 LEU A 7 -3.572 -1.205 4.981 1.00 0.00 C +ATOM 124 CD2 LEU A 7 -1.173 -1.831 4.963 1.00 0.00 C +ATOM 125 H LEU A 7 -2.195 -1.196 1.019 1.00 0.00 H +ATOM 126 HA LEU A 7 -0.684 -3.061 2.616 1.00 0.00 H +ATOM 127 HB2 LEU A 7 -3.605 -2.317 2.540 1.00 0.00 H +ATOM 128 HB3 LEU A 7 -2.968 -3.507 3.680 1.00 0.00 H +ATOM 129 HG LEU A 7 -2.145 -0.578 3.513 1.00 0.00 H +ATOM 130 HD11 LEU A 7 -4.432 -0.914 4.377 1.00 0.00 H +ATOM 131 HD12 LEU A 7 -3.821 -2.097 5.558 1.00 0.00 H +ATOM 132 HD13 LEU A 7 -3.338 -0.395 5.671 1.00 0.00 H +ATOM 133 HD21 LEU A 7 -1.337 -2.790 5.456 1.00 0.00 H +ATOM 134 HD22 LEU A 7 -0.263 -1.882 4.367 1.00 0.00 H +ATOM 135 HD23 LEU A 7 -1.035 -1.059 5.719 1.00 0.00 H +ATOM 136 N LYS A 8 -2.706 -4.471 0.416 1.00 0.00 N +ATOM 137 CA LYS A 8 -3.040 -5.736 -0.258 1.00 0.00 C +ATOM 138 C LYS A 8 -1.805 -6.466 -0.789 1.00 0.00 C +ATOM 139 O LYS A 8 -1.742 -7.687 -0.688 1.00 0.00 O +ATOM 140 CB LYS A 8 -4.034 -5.485 -1.410 1.00 0.00 C +ATOM 141 CG LYS A 8 -4.931 -6.689 -1.757 1.00 0.00 C +ATOM 142 CD LYS A 8 -6.238 -6.726 -0.944 1.00 0.00 C +ATOM 143 CE LYS A 8 -6.111 -7.395 0.434 1.00 0.00 C +ATOM 144 NZ LYS A 8 -6.596 -8.795 0.413 1.00 0.00 N +ATOM 145 H LYS A 8 -3.180 -3.623 0.110 1.00 0.00 H +ATOM 146 HA LYS A 8 -3.483 -6.388 0.485 1.00 0.00 H +ATOM 147 HB2 LYS A 8 -4.667 -4.665 -1.133 1.00 0.00 H +ATOM 148 HB3 LYS A 8 -3.469 -5.209 -2.302 1.00 0.00 H +ATOM 149 HG2 LYS A 8 -5.179 -6.640 -2.800 1.00 0.00 H +ATOM 150 HG3 LYS A 8 -4.383 -7.626 -1.648 1.00 0.00 H +ATOM 151 HD2 LYS A 8 -6.571 -5.716 -0.797 1.00 0.00 H +ATOM 152 HD3 LYS A 8 -6.998 -7.246 -1.531 1.00 0.00 H +ATOM 153 HE2 LYS A 8 -5.079 -7.389 0.729 1.00 0.00 H +ATOM 154 HE3 LYS A 8 -6.699 -6.816 1.151 1.00 0.00 H +ATOM 155 HZ1 LYS A 8 -7.551 -8.825 0.081 1.00 0.00 H +ATOM 156 HZ2 LYS A 8 -6.018 -9.355 -0.202 1.00 0.00 H +ATOM 157 HZ3 LYS A 8 -6.565 -9.193 1.343 1.00 0.00 H +ATOM 158 N ASP A 9 -0.838 -5.715 -1.323 1.00 0.00 N +ATOM 159 CA ASP A 9 0.450 -6.224 -1.807 1.00 0.00 C +ATOM 160 C ASP A 9 1.375 -6.712 -0.666 1.00 0.00 C +ATOM 161 O ASP A 9 2.268 -7.521 -0.902 1.00 0.00 O +ATOM 162 CB ASP A 9 1.122 -5.114 -2.638 1.00 0.00 C +ATOM 163 CG ASP A 9 1.749 -5.645 -3.931 1.00 0.00 C +ATOM 164 OD1 ASP A 9 2.908 -6.107 -3.879 1.00 0.00 O +ATOM 165 OD2 ASP A 9 1.053 -5.563 -4.967 1.00 0.00 O +ATOM 166 H ASP A 9 -1.027 -4.724 -1.433 1.00 0.00 H +ATOM 167 HA ASP A 9 0.258 -7.078 -2.459 1.00 0.00 H +ATOM 168 HB2 ASP A 9 0.383 -4.379 -2.891 1.00 0.00 H +ATOM 169 HB3 ASP A 9 1.874 -4.603 -2.038 1.00 0.00 H +ATOM 170 N GLY A 10 1.131 -6.267 0.578 1.00 0.00 N +ATOM 171 CA GLY A 10 1.947 -6.573 1.759 1.00 0.00 C +ATOM 172 C GLY A 10 2.471 -5.343 2.517 1.00 0.00 C +ATOM 173 O GLY A 10 3.312 -5.492 3.405 1.00 0.00 O +ATOM 174 H GLY A 10 0.292 -5.717 0.714 1.00 0.00 H +ATOM 175 HA2 GLY A 10 1.343 -7.159 2.453 1.00 0.00 H +ATOM 176 HA3 GLY A 10 2.809 -7.177 1.472 1.00 0.00 H +ATOM 177 N GLY A 11 2.017 -4.128 2.178 1.00 0.00 N +ATOM 178 CA GLY A 11 2.486 -2.885 2.787 1.00 0.00 C +ATOM 179 C GLY A 11 4.008 -2.719 2.637 1.00 0.00 C +ATOM 180 O GLY A 11 4.503 -2.800 1.506 1.00 0.00 O +ATOM 181 H GLY A 11 1.396 -4.039 1.378 1.00 0.00 H +ATOM 182 HA2 GLY A 11 2.001 -2.048 2.288 1.00 0.00 H +ATOM 183 HA3 GLY A 11 2.186 -2.879 3.832 1.00 0.00 H +ATOM 184 N PRO A 12 4.780 -2.519 3.728 1.00 0.00 N +ATOM 185 CA PRO A 12 6.239 -2.387 3.665 1.00 0.00 C +ATOM 186 C PRO A 12 6.950 -3.575 3.000 1.00 0.00 C +ATOM 187 O PRO A 12 7.979 -3.391 2.354 1.00 0.00 O +ATOM 188 CB PRO A 12 6.713 -2.228 5.117 1.00 0.00 C +ATOM 189 CG PRO A 12 5.470 -1.751 5.866 1.00 0.00 C +ATOM 190 CD PRO A 12 4.331 -2.431 5.110 1.00 0.00 C +ATOM 191 HA PRO A 12 6.480 -1.479 3.109 1.00 0.00 H +ATOM 192 HB2 PRO A 12 7.058 -3.165 5.510 1.00 0.00 H +ATOM 193 HB3 PRO A 12 7.527 -1.506 5.194 1.00 0.00 H +ATOM 194 HG2 PRO A 12 5.494 -2.065 6.892 1.00 0.00 H +ATOM 195 HG3 PRO A 12 5.378 -0.669 5.771 1.00 0.00 H +ATOM 196 HD2 PRO A 12 4.149 -3.411 5.508 1.00 0.00 H +ATOM 197 HD3 PRO A 12 3.421 -1.842 5.212 1.00 0.00 H +ATOM 198 N SER A 13 6.391 -4.788 3.108 1.00 0.00 N +ATOM 199 CA SER A 13 6.963 -6.030 2.565 1.00 0.00 C +ATOM 200 C SER A 13 6.817 -6.172 1.040 1.00 0.00 C +ATOM 201 O SER A 13 7.075 -7.245 0.502 1.00 0.00 O +ATOM 202 CB SER A 13 6.348 -7.235 3.292 1.00 0.00 C +ATOM 203 OG SER A 13 6.588 -7.135 4.685 1.00 0.00 O +ATOM 204 H SER A 13 5.511 -4.881 3.605 1.00 0.00 H +ATOM 205 HA SER A 13 8.033 -6.031 2.772 1.00 0.00 H +ATOM 206 HB2 SER A 13 5.290 -7.255 3.114 1.00 0.00 H +ATOM 207 HB3 SER A 13 6.798 -8.157 2.922 1.00 0.00 H +ATOM 208 HG SER A 13 7.535 -7.126 4.838 1.00 0.00 H +ATOM 209 N SER A 14 6.433 -5.095 0.342 1.00 0.00 N +ATOM 210 CA SER A 14 6.094 -5.070 -1.091 1.00 0.00 C +ATOM 211 C SER A 14 7.131 -4.326 -1.948 1.00 0.00 C +ATOM 212 O SER A 14 6.912 -4.123 -3.139 1.00 0.00 O +ATOM 213 CB SER A 14 4.713 -4.430 -1.320 1.00 0.00 C +ATOM 214 OG SER A 14 3.852 -4.557 -0.209 1.00 0.00 O +ATOM 215 H SER A 14 6.248 -4.262 0.883 1.00 0.00 H +ATOM 216 HA SER A 14 6.036 -6.095 -1.458 1.00 0.00 H +ATOM 217 HB2 SER A 14 4.851 -3.386 -1.528 1.00 0.00 H +ATOM 218 HB3 SER A 14 4.256 -4.900 -2.188 1.00 0.00 H +ATOM 219 HG SER A 14 4.090 -3.859 0.448 1.00 0.00 H +ATOM 220 N GLY A 15 8.234 -3.851 -1.350 1.00 0.00 N +ATOM 221 CA GLY A 15 9.242 -3.043 -2.046 1.00 0.00 C +ATOM 222 C GLY A 15 8.765 -1.634 -2.430 1.00 0.00 C +ATOM 223 O GLY A 15 9.339 -1.029 -3.333 1.00 0.00 O +ATOM 224 H GLY A 15 8.368 -4.078 -0.374 1.00 0.00 H +ATOM 225 HA2 GLY A 15 10.125 -2.943 -1.415 1.00 0.00 H +ATOM 226 HA3 GLY A 15 9.540 -3.557 -2.962 1.00 0.00 H +ATOM 227 N ARG A 16 7.712 -1.116 -1.776 1.00 0.00 N +ATOM 228 CA ARG A 16 7.012 0.119 -2.159 1.00 0.00 C +ATOM 229 C ARG A 16 6.744 1.004 -0.927 1.00 0.00 C +ATOM 230 O ARG A 16 6.192 0.494 0.050 1.00 0.00 O +ATOM 231 CB ARG A 16 5.715 -0.274 -2.903 1.00 0.00 C +ATOM 232 CG ARG A 16 5.325 0.703 -4.024 1.00 0.00 C +ATOM 233 CD ARG A 16 4.678 2.015 -3.540 1.00 0.00 C +ATOM 234 NE ARG A 16 3.237 2.087 -3.842 1.00 0.00 N +ATOM 235 CZ ARG A 16 2.680 2.273 -5.035 1.00 0.00 C +ATOM 236 NH1 ARG A 16 3.403 2.443 -6.118 1.00 0.00 N +ATOM 237 NH2 ARG A 16 1.375 2.289 -5.163 1.00 0.00 N +ATOM 238 H ARG A 16 7.321 -1.668 -1.025 1.00 0.00 H +ATOM 239 HA ARG A 16 7.663 0.650 -2.853 1.00 0.00 H +ATOM 240 HB2 ARG A 16 5.853 -1.247 -3.334 1.00 0.00 H +ATOM 241 HB3 ARG A 16 4.890 -0.391 -2.200 1.00 0.00 H +ATOM 242 HG2 ARG A 16 6.212 0.951 -4.574 1.00 0.00 H +ATOM 243 HG3 ARG A 16 4.637 0.186 -4.695 1.00 0.00 H +ATOM 244 HD2 ARG A 16 4.810 2.091 -2.478 1.00 0.00 H +ATOM 245 HD3 ARG A 16 5.186 2.860 -4.006 1.00 0.00 H +ATOM 246 HE ARG A 16 2.615 2.042 -3.054 1.00 0.00 H +ATOM 247 HH11 ARG A 16 4.402 2.431 -6.023 1.00 0.00 H +ATOM 248 HH12 ARG A 16 2.980 2.582 -7.018 1.00 0.00 H +ATOM 249 HH21 ARG A 16 0.783 2.132 -4.366 1.00 0.00 H +ATOM 250 HH22 ARG A 16 0.966 2.417 -6.070 1.00 0.00 H +ATOM 251 N PRO A 17 7.089 2.310 -0.946 1.00 0.00 N +ATOM 252 CA PRO A 17 6.885 3.210 0.196 1.00 0.00 C +ATOM 253 C PRO A 17 5.393 3.477 0.503 1.00 0.00 C +ATOM 254 O PRO A 17 4.546 3.303 -0.377 1.00 0.00 O +ATOM 255 CB PRO A 17 7.623 4.504 -0.182 1.00 0.00 C +ATOM 256 CG PRO A 17 7.588 4.505 -1.707 1.00 0.00 C +ATOM 257 CD PRO A 17 7.737 3.023 -2.038 1.00 0.00 C +ATOM 258 HA PRO A 17 7.356 2.774 1.077 1.00 0.00 H +ATOM 259 HB2 PRO A 17 7.117 5.363 0.213 1.00 0.00 H +ATOM 260 HB3 PRO A 17 8.658 4.442 0.155 1.00 0.00 H +ATOM 261 HG2 PRO A 17 6.657 4.893 -2.074 1.00 0.00 H +ATOM 262 HG3 PRO A 17 8.394 5.099 -2.134 1.00 0.00 H +ATOM 263 HD2 PRO A 17 7.256 2.797 -2.970 1.00 0.00 H +ATOM 264 HD3 PRO A 17 8.794 2.757 -2.066 1.00 0.00 H +ATOM 265 N PRO A 18 5.059 3.929 1.730 1.00 0.00 N +ATOM 266 CA PRO A 18 3.682 4.205 2.144 1.00 0.00 C +ATOM 267 C PRO A 18 3.095 5.411 1.383 1.00 0.00 C +ATOM 268 O PRO A 18 3.661 6.502 1.452 1.00 0.00 O +ATOM 269 CB PRO A 18 3.748 4.459 3.655 1.00 0.00 C +ATOM 270 CG PRO A 18 5.175 4.956 3.878 1.00 0.00 C +ATOM 271 CD PRO A 18 5.977 4.185 2.832 1.00 0.00 C +ATOM 272 HA PRO A 18 3.080 3.317 1.975 1.00 0.00 H +ATOM 273 HB2 PRO A 18 3.033 5.203 3.949 1.00 0.00 H +ATOM 274 HB3 PRO A 18 3.609 3.517 4.186 1.00 0.00 H +ATOM 275 HG2 PRO A 18 5.245 6.014 3.714 1.00 0.00 H +ATOM 276 HG3 PRO A 18 5.524 4.748 4.890 1.00 0.00 H +ATOM 277 HD2 PRO A 18 6.810 4.771 2.495 1.00 0.00 H +ATOM 278 HD3 PRO A 18 6.310 3.236 3.253 1.00 0.00 H +ATOM 279 N PRO A 19 1.966 5.253 0.661 1.00 0.00 N +ATOM 280 CA PRO A 19 1.331 6.356 -0.052 1.00 0.00 C +ATOM 281 C PRO A 19 0.578 7.268 0.928 1.00 0.00 C +ATOM 282 O PRO A 19 -0.202 6.793 1.754 1.00 0.00 O +ATOM 283 CB PRO A 19 0.397 5.681 -1.061 1.00 0.00 C +ATOM 284 CG PRO A 19 -0.022 4.391 -0.357 1.00 0.00 C +ATOM 285 CD PRO A 19 1.197 4.027 0.492 1.00 0.00 C +ATOM 286 HA PRO A 19 2.080 6.941 -0.589 1.00 0.00 H +ATOM 287 HB2 PRO A 19 -0.455 6.299 -1.267 1.00 0.00 H +ATOM 288 HB3 PRO A 19 0.960 5.433 -1.961 1.00 0.00 H +ATOM 289 HG2 PRO A 19 -0.883 4.555 0.261 1.00 0.00 H +ATOM 290 HG3 PRO A 19 -0.265 3.606 -1.072 1.00 0.00 H +ATOM 291 HD2 PRO A 19 0.884 3.651 1.447 1.00 0.00 H +ATOM 292 HD3 PRO A 19 1.805 3.288 -0.030 1.00 0.00 H +ATOM 293 N SER A 20 0.794 8.581 0.820 1.00 0.00 N +ATOM 294 CA SER A 20 0.068 9.633 1.546 1.00 0.00 C +ATOM 295 C SER A 20 -0.019 10.895 0.692 1.00 0.00 C +ATOM 296 O SER A 20 0.894 11.061 -0.156 1.00 0.00 O +ATOM 297 CB SER A 20 0.690 9.909 2.920 1.00 0.00 C +ATOM 298 OG SER A 20 2.087 10.037 2.813 1.00 0.00 O +ATOM 299 OXT SER A 20 -1.022 11.612 0.858 1.00 0.00 O +ATOM 300 H SER A 20 1.377 8.948 0.073 1.00 0.00 H +ATOM 301 HA SER A 20 -0.962 9.316 1.705 1.00 0.00 H +ATOM 302 HB2 SER A 20 0.282 10.819 3.316 1.00 0.00 H +ATOM 303 HB3 SER A 20 0.461 9.076 3.584 1.00 0.00 H +ATOM 304 HG SER A 20 2.347 9.513 2.048 1.00 0.00 H +TER 305 SER A 20 +ENDMDL +MASTER 109 0 0 2 0 0 0 611552 38 0 2 +END HEADER DE NOVO PROTEIN 25-FEB-02 1L2Y +TITLE NMR STRUCTURE OF TRP-CAGE MINIPROTEIN CONSTRUCT TC5B +COMPND MOL_ID: 1; +COMPND 2 MOLECULE: TC5B; +COMPND 3 CHAIN: A; +COMPND 4 ENGINEERED: YES +SOURCE MOL_ID: 1; +SOURCE 2 SYNTHETIC: YES; +SOURCE 3 OTHER_DETAILS: THE PROTEIN WAS SYNTHESIZED USING STANDARD +SOURCE 4 FMOC SOLID-PHASE SYNTHESIS METHODS ON AN APPLIED +SOURCE 5 BIOSYSTEMS 433A PEPTIDE SYNTHESIZER. +KEYWDS MINIPROTEIN, TWO-STATE FOLDING, TRP-CAGE, DE NOVO PROTEIN +EXPDTA SOLUTION NMR +NUMMDL 38 +AUTHOR J.W.NEIDIGH,R.M.FESINMEYER,N.H.ANDERSEN +REVDAT 2 24-FEB-09 1L2Y 1 VERSN +REVDAT 1 29-MAY-02 1L2Y 0 +JRNL AUTH J.W.NEIDIGH,R.M.FESINMEYER,N.H.ANDERSEN +JRNL TITL DESIGNING A 20-RESIDUE PROTEIN. +JRNL REF NAT.STRUCT.BIOL. V. 9 425 2002 +JRNL REFN ISSN 1072-8368 +JRNL PMID 11979279 +JRNL DOI 10.1038/NSB798 +REMARK 1 +REMARK 2 +REMARK 2 RESOLUTION. NOT APPLICABLE. +REMARK 3 +REMARK 3 REFINEMENT. +REMARK 3 PROGRAM : AMBER 6.0 +REMARK 3 AUTHORS : KOLLMAN +REMARK 3 +REMARK 3 OTHER REFINEMENT REMARKS: 169 NOE DISTANCE CONSTRAINTS WERE +REMARK 3 EMPLOYED. CNS WAS EMPLOYED FOR S.A., FOLLOWED BY MINIMIZATION +REMARK 3 USING THE SANDER MODULE OF AMBER. +REMARK 4 +REMARK 4 1L2Y COMPLIES WITH FORMAT V. 3.15, 01-DEC-08 +REMARK 100 +REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY RCSB ON 28-FEB-02. +REMARK 100 THE RCSB ID CODE IS RCSB015598. +REMARK 210 +REMARK 210 EXPERIMENTAL DETAILS +REMARK 210 EXPERIMENT TYPE : NMR +REMARK 210 TEMPERATURE (KELVIN) : 282 +REMARK 210 PH : 7 +REMARK 210 IONIC STRENGTH : NULL +REMARK 210 PRESSURE : AMBIENT +REMARK 210 SAMPLE CONTENTS : 1.0-1.8 MM TC5B +REMARK 210 +REMARK 210 NMR EXPERIMENTS CONDUCTED : 2D NOESY +REMARK 210 SPECTROMETER FIELD STRENGTH : 500 MHZ +REMARK 210 SPECTROMETER MODEL : DRX +REMARK 210 SPECTROMETER MANUFACTURER : BRUKER +REMARK 210 +REMARK 210 STRUCTURE DETERMINATION. +REMARK 210 SOFTWARE USED : XWINNMR 2.6, FELIX 95, CNS +REMARK 210 1.0, AMBER 6.0 +REMARK 210 METHOD USED : SIMULATED ANNEALING FROM +REMARK 210 RANDOM STRUCTURES FOLLOWED BY +REMARK 210 STEEPEST DESCENT MINIMIZATION +REMARK 210 +REMARK 210 CONFORMERS, NUMBER CALCULATED : 50 +REMARK 210 CONFORMERS, NUMBER SUBMITTED : 38 +REMARK 210 CONFORMERS, SELECTION CRITERIA : STRUCTURES WITH ACCEPTABLE +REMARK 210 COVALENT GEOMETRY, STRUCTURES +REMARK 210 WITH THE LEAST RESTRAINT +REMARK 210 VIOLATIONS +REMARK 210 +REMARK 210 BEST REPRESENTATIVE CONFORMER IN THIS ENSEMBLE : NULL +REMARK 210 +REMARK 210 REMARK: THIS STRUCTURE WAS DETERMINED USING STANDARD 2D +REMARK 210 HOMONUCLEAR TECHNIQUES. +REMARK 215 +REMARK 215 NMR STUDY +REMARK 215 THE COORDINATES IN THIS ENTRY WERE GENERATED FROM SOLUTION +REMARK 215 NMR DATA. PROTEIN DATA BANK CONVENTIONS REQUIRE THAT +REMARK 215 CRYST1 AND SCALE RECORDS BE INCLUDED, BUT THE VALUES ON +REMARK 215 THESE RECORDS ARE MEANINGLESS. +REMARK 500 +REMARK 500 GEOMETRY AND STEREOCHEMISTRY +REMARK 500 SUBTOPIC: COVALENT BOND ANGLES +REMARK 500 +REMARK 500 THE STEREOCHEMICAL PARAMETERS OF THE FOLLOWING RESIDUES +REMARK 500 HAVE VALUES WHICH DEVIATE FROM EXPECTED VALUES BY MORE +REMARK 500 THAN 6*RMSD (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN +REMARK 500 IDENTIFIER; SSEQ=SEQUENCE NUMBER; I=INSERTION CODE). +REMARK 500 +REMARK 500 STANDARD TABLE: +REMARK 500 FORMAT: (10X,I3,1X,A3,1X,A1,I4,A1,3(1X,A4,2X),12X,F5.1) +REMARK 500 +REMARK 500 EXPECTED VALUES PROTEIN: ENGH AND HUBER, 1999 +REMARK 500 EXPECTED VALUES NUCLEIC ACID: CLOWNEY ET AL 1996 +REMARK 500 +REMARK 500 M RES CSSEQI ATM1 ATM2 ATM3 +REMARK 500 2 ARG A 16 NE - CZ - NH1 ANGL. DEV. = 3.6 DEGREES +REMARK 500 13 ARG A 16 NE - CZ - NH1 ANGL. DEV. = 4.7 DEGREES +REMARK 500 +REMARK 500 REMARK: NULL +REMARK 500 +REMARK 500 GEOMETRY AND STEREOCHEMISTRY +REMARK 500 SUBTOPIC: TORSION ANGLES +REMARK 500 +REMARK 500 TORSION ANGLES OUTSIDE THE EXPECTED RAMACHANDRAN REGIONS: +REMARK 500 (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN IDENTIFIER; +REMARK 500 SSEQ=SEQUENCE NUMBER; I=INSERTION CODE). +REMARK 500 +REMARK 500 STANDARD TABLE: +REMARK 500 FORMAT:(10X,I3,1X,A3,1X,A1,I4,A1,4X,F7.2,3X,F7.2) +REMARK 500 +REMARK 500 EXPECTED VALUES: GJ KLEYWEGT AND TA JONES (1996). PHI/PSI- +REMARK 500 CHOLOGY: RAMACHANDRAN REVISITED. STRUCTURE 4, 1395 - 1400 +REMARK 500 +REMARK 500 M RES CSSEQI PSI PHI +REMARK 500 5 LEU A 2 -34.83 72.95 +REMARK 500 6 LEU A 2 -33.93 63.45 +REMARK 500 9 LEU A 2 -18.34 57.13 +REMARK 500 13 LEU A 2 -33.72 66.32 +REMARK 500 18 LEU A 2 -3.11 60.50 +REMARK 500 19 LEU A 2 -1.16 58.98 +REMARK 500 20 LEU A 2 -32.96 68.39 +REMARK 500 23 LEU A 2 -47.12 63.92 +REMARK 500 28 LEU A 2 -2.46 61.26 +REMARK 500 29 LEU A 2 -42.02 66.43 +REMARK 500 34 PRO A 12 11.15 -66.86 +REMARK 500 +REMARK 500 REMARK: NULL +REMARK 900 +REMARK 900 RELATED ENTRIES +REMARK 900 RELATED ID: 5292 RELATED DB: BMRB +REMARK 900 BMRB 5292 IS CHEMICAL SHIFTS FOR TC5B IN BUFFER AND BUFFER +REMARK 900 CONTAINING 30 VOL-% TFE. +REMARK 900 RELATED ID: 1JRJ RELATED DB: PDB +REMARK 900 1JRJ IS AN ANALAGOUS C-TERMINAL STRUCTURE. +DBREF 1L2Y A 1 20 PDB 1L2Y 1L2Y 1 20 +SEQRES 1 A 20 ASN LEU TYR ILE GLN TRP LEU LYS ASP GLY GLY PRO SER +SEQRES 2 A 20 SER GLY ARG PRO PRO PRO SER +HELIX 1 1 ASN A 1 ASP A 9 1 9 +HELIX 2 2 GLY A 10 GLY A 15 5 6 +CRYST1 1.000 1.000 1.000 90.00 90.00 90.00 P 1 1 +ORIGX1 1.000000 0.000000 0.000000 0.00000 +ORIGX2 0.000000 1.000000 0.000000 0.00000 +ORIGX3 0.000000 0.000000 1.000000 0.00000 +SCALE1 1.000000 0.000000 0.000000 0.00000 +SCALE2 0.000000 1.000000 0.000000 0.00000 +SCALE3 0.000000 0.000000 1.000000 0.00000 +MODEL 1 +ATOM 1 N ASN A 1 -8.901 4.127 -0.555 1.00 0.00 N +ATOM 2 CA ASN A 1 -8.608 3.135 -1.618 1.00 0.00 C +ATOM 3 C ASN A 1 -7.117 2.964 -1.897 1.00 0.00 C +ATOM 4 O ASN A 1 -6.634 1.849 -1.758 1.00 0.00 O +ATOM 5 CB ASN A 1 -9.437 3.396 -2.889 1.00 0.00 C +ATOM 6 CG ASN A 1 -10.915 3.130 -2.611 1.00 0.00 C +ATOM 7 OD1 ASN A 1 -11.269 2.700 -1.524 1.00 0.00 O +ATOM 8 ND2 ASN A 1 -11.806 3.406 -3.543 1.00 0.00 N +ATOM 9 H1 ASN A 1 -8.330 3.957 0.261 1.00 0.00 H +ATOM 10 H2 ASN A 1 -8.740 5.068 -0.889 1.00 0.00 H +ATOM 11 H3 ASN A 1 -9.877 4.041 -0.293 1.00 0.00 H +ATOM 12 HA ASN A 1 -8.930 2.162 -1.239 1.00 0.00 H +ATOM 13 HB2 ASN A 1 -9.310 4.417 -3.193 1.00 0.00 H +ATOM 14 HB3 ASN A 1 -9.108 2.719 -3.679 1.00 0.00 H +ATOM 15 HD21 ASN A 1 -11.572 3.791 -4.444 1.00 0.00 H +ATOM 16 HD22 ASN A 1 -12.757 3.183 -3.294 1.00 0.00 H +ATOM 17 N LEU A 2 -6.379 4.031 -2.228 1.00 0.00 N +ATOM 18 CA LEU A 2 -4.923 4.002 -2.452 1.00 0.00 C +ATOM 19 C LEU A 2 -4.136 3.187 -1.404 1.00 0.00 C +ATOM 20 O LEU A 2 -3.391 2.274 -1.760 1.00 0.00 O +ATOM 21 CB LEU A 2 -4.411 5.450 -2.619 1.00 0.00 C +ATOM 22 CG LEU A 2 -4.795 6.450 -1.495 1.00 0.00 C +ATOM 23 CD1 LEU A 2 -3.612 6.803 -0.599 1.00 0.00 C +ATOM 24 CD2 LEU A 2 -5.351 7.748 -2.084 1.00 0.00 C +ATOM 25 H LEU A 2 -6.821 4.923 -2.394 1.00 0.00 H +ATOM 26 HA LEU A 2 -4.750 3.494 -3.403 1.00 0.00 H +ATOM 27 HB2 LEU A 2 -3.340 5.414 -2.672 1.00 0.00 H +ATOM 28 HB3 LEU A 2 -4.813 5.817 -3.564 1.00 0.00 H +ATOM 29 HG LEU A 2 -5.568 6.022 -0.858 1.00 0.00 H +ATOM 30 HD11 LEU A 2 -3.207 5.905 -0.146 1.00 0.00 H +ATOM 31 HD12 LEU A 2 -2.841 7.304 -1.183 1.00 0.00 H +ATOM 32 HD13 LEU A 2 -3.929 7.477 0.197 1.00 0.00 H +ATOM 33 HD21 LEU A 2 -4.607 8.209 -2.736 1.00 0.00 H +ATOM 34 HD22 LEU A 2 -6.255 7.544 -2.657 1.00 0.00 H +ATOM 35 HD23 LEU A 2 -5.592 8.445 -1.281 1.00 0.00 H +ATOM 36 N TYR A 3 -4.354 3.455 -0.111 1.00 0.00 N +ATOM 37 CA TYR A 3 -3.690 2.738 0.981 1.00 0.00 C +ATOM 38 C TYR A 3 -4.102 1.256 1.074 1.00 0.00 C +ATOM 39 O TYR A 3 -3.291 0.409 1.442 1.00 0.00 O +ATOM 40 CB TYR A 3 -3.964 3.472 2.302 1.00 0.00 C +ATOM 41 CG TYR A 3 -2.824 3.339 3.290 1.00 0.00 C +ATOM 42 CD1 TYR A 3 -2.746 2.217 4.138 1.00 0.00 C +ATOM 43 CD2 TYR A 3 -1.820 4.326 3.332 1.00 0.00 C +ATOM 44 CE1 TYR A 3 -1.657 2.076 5.018 1.00 0.00 C +ATOM 45 CE2 TYR A 3 -0.725 4.185 4.205 1.00 0.00 C +ATOM 46 CZ TYR A 3 -0.639 3.053 5.043 1.00 0.00 C +ATOM 47 OH TYR A 3 0.433 2.881 5.861 1.00 0.00 O +ATOM 48 H TYR A 3 -4.934 4.245 0.120 1.00 0.00 H +ATOM 49 HA TYR A 3 -2.615 2.768 0.796 1.00 0.00 H +ATOM 50 HB2 TYR A 3 -4.117 4.513 2.091 1.00 0.00 H +ATOM 51 HB3 TYR A 3 -4.886 3.096 2.750 1.00 0.00 H +ATOM 52 HD1 TYR A 3 -3.513 1.456 4.101 1.00 0.00 H +ATOM 53 HD2 TYR A 3 -1.877 5.200 2.695 1.00 0.00 H +ATOM 54 HE1 TYR A 3 -1.576 1.221 5.669 1.00 0.00 H +ATOM 55 HE2 TYR A 3 0.033 4.952 4.233 1.00 0.00 H +ATOM 56 HH TYR A 3 1.187 3.395 5.567 1.00 0.00 H +ATOM 57 N ILE A 4 -5.342 0.925 0.689 1.00 0.00 N +ATOM 58 CA ILE A 4 -5.857 -0.449 0.613 1.00 0.00 C +ATOM 59 C ILE A 4 -5.089 -1.221 -0.470 1.00 0.00 C +ATOM 60 O ILE A 4 -4.621 -2.334 -0.226 1.00 0.00 O +ATOM 61 CB ILE A 4 -7.386 -0.466 0.343 1.00 0.00 C +ATOM 62 CG1 ILE A 4 -8.197 0.540 1.197 1.00 0.00 C +ATOM 63 CG2 ILE A 4 -7.959 -1.884 0.501 1.00 0.00 C +ATOM 64 CD1 ILE A 4 -8.019 0.412 2.715 1.00 0.00 C +ATOM 65 H ILE A 4 -5.906 1.656 0.283 1.00 0.00 H +ATOM 66 HA ILE A 4 -5.670 -0.941 1.568 1.00 0.00 H +ATOM 67 HB ILE A 4 -7.554 -0.192 -0.697 1.00 0.00 H +ATOM 68 HG12 ILE A 4 -7.900 1.531 0.912 1.00 0.00 H +ATOM 69 HG13 ILE A 4 -9.257 0.424 0.964 1.00 0.00 H +ATOM 70 HG21 ILE A 4 -7.509 -2.555 -0.232 1.00 0.00 H +ATOM 71 HG22 ILE A 4 -7.759 -2.271 1.501 1.00 0.00 H +ATOM 72 HG23 ILE A 4 -9.036 -1.871 0.332 1.00 0.00 H +ATOM 73 HD11 ILE A 4 -8.306 -0.585 3.049 1.00 0.00 H +ATOM 74 HD12 ILE A 4 -6.983 0.606 2.995 1.00 0.00 H +ATOM 75 HD13 ILE A 4 -8.656 1.144 3.213 1.00 0.00 H +ATOM 76 N GLN A 5 -4.907 -0.601 -1.645 1.00 0.00 N +ATOM 77 CA GLN A 5 -4.122 -1.167 -2.743 1.00 0.00 C +ATOM 78 C GLN A 5 -2.629 -1.321 -2.390 1.00 0.00 C +ATOM 79 O GLN A 5 -1.986 -2.240 -2.884 1.00 0.00 O +ATOM 80 CB GLN A 5 -4.292 -0.313 -4.013 1.00 0.00 C +ATOM 81 CG GLN A 5 -4.244 -1.171 -5.290 1.00 0.00 C +ATOM 82 CD GLN A 5 -5.576 -1.860 -5.585 1.00 0.00 C +ATOM 83 OE1 GLN A 5 -5.769 -3.044 -5.335 1.00 0.00 O +ATOM 84 NE2 GLN A 5 -6.532 -1.146 -6.152 1.00 0.00 N +ATOM 85 H GLN A 5 -5.327 0.318 -1.763 1.00 0.00 H +ATOM 86 HA GLN A 5 -4.517 -2.162 -2.940 1.00 0.00 H +ATOM 87 HB2 GLN A 5 -5.238 0.191 -3.969 1.00 0.00 H +ATOM 88 HB3 GLN A 5 -3.492 0.429 -4.053 1.00 0.00 H +ATOM 89 HG2 GLN A 5 -3.993 -0.539 -6.120 1.00 0.00 H +ATOM 90 HG3 GLN A 5 -3.458 -1.923 -5.205 1.00 0.00 H +ATOM 91 HE21 GLN A 5 -6.389 -0.184 -6.408 1.00 0.00 H +ATOM 92 HE22 GLN A 5 -7.392 -1.635 -6.335 1.00 0.00 H +ATOM 93 N TRP A 6 -2.074 -0.459 -1.528 1.00 0.00 N +ATOM 94 CA TRP A 6 -0.716 -0.631 -0.993 1.00 0.00 C +ATOM 95 C TRP A 6 -0.631 -1.766 0.044 1.00 0.00 C +ATOM 96 O TRP A 6 0.295 -2.579 -0.004 1.00 0.00 O +ATOM 97 CB TRP A 6 -0.221 0.703 -0.417 1.00 0.00 C +ATOM 98 CG TRP A 6 1.148 0.652 0.194 1.00 0.00 C +ATOM 99 CD1 TRP A 6 2.319 0.664 -0.482 1.00 0.00 C +ATOM 100 CD2 TRP A 6 1.508 0.564 1.606 1.00 0.00 C +ATOM 101 NE1 TRP A 6 3.371 0.560 0.411 1.00 0.00 N +ATOM 102 CE2 TRP A 6 2.928 0.515 1.710 1.00 0.00 C +ATOM 103 CE3 TRP A 6 0.779 0.524 2.812 1.00 0.00 C +ATOM 104 CZ2 TRP A 6 3.599 0.445 2.938 1.00 0.00 C +ATOM 105 CZ3 TRP A 6 1.439 0.433 4.053 1.00 0.00 C +ATOM 106 CH2 TRP A 6 2.842 0.407 4.120 1.00 0.00 C +ATOM 107 H TRP A 6 -2.624 0.343 -1.242 1.00 0.00 H +ATOM 108 HA TRP A 6 -0.052 -0.908 -1.813 1.00 0.00 H +ATOM 109 HB2 TRP A 6 -0.206 1.425 -1.211 1.00 0.00 H +ATOM 110 HB3 TRP A 6 -0.921 1.044 0.344 1.00 0.00 H +ATOM 111 HD1 TRP A 6 2.412 0.733 -1.558 1.00 0.00 H +ATOM 112 HE1 TRP A 6 4.360 0.536 0.156 1.00 0.00 H +ATOM 113 HE3 TRP A 6 -0.299 0.571 2.773 1.00 0.00 H +ATOM 114 HZ2 TRP A 6 4.679 0.418 2.961 1.00 0.00 H +ATOM 115 HZ3 TRP A 6 0.862 0.400 4.966 1.00 0.00 H +ATOM 116 HH2 TRP A 6 3.334 0.360 5.081 1.00 0.00 H +ATOM 117 N LEU A 7 -1.600 -1.860 0.967 1.00 0.00 N +ATOM 118 CA LEU A 7 -1.641 -2.932 1.963 1.00 0.00 C +ATOM 119 C LEU A 7 -1.847 -4.319 1.342 1.00 0.00 C +ATOM 120 O LEU A 7 -1.144 -5.248 1.742 1.00 0.00 O +ATOM 121 CB LEU A 7 -2.710 -2.645 3.033 1.00 0.00 C +ATOM 122 CG LEU A 7 -2.301 -1.579 4.069 1.00 0.00 C +ATOM 123 CD1 LEU A 7 -3.475 -1.323 5.018 1.00 0.00 C +ATOM 124 CD2 LEU A 7 -1.093 -2.007 4.914 1.00 0.00 C +ATOM 125 H LEU A 7 -2.316 -1.137 0.994 1.00 0.00 H +ATOM 126 HA LEU A 7 -0.666 -2.978 2.445 1.00 0.00 H +ATOM 127 HB2 LEU A 7 -3.600 -2.308 2.537 1.00 0.00 H +ATOM 128 HB3 LEU A 7 -2.921 -3.571 3.572 1.00 0.00 H +ATOM 129 HG LEU A 7 -2.061 -0.649 3.560 1.00 0.00 H +ATOM 130 HD11 LEU A 7 -4.343 -0.992 4.449 1.00 0.00 H +ATOM 131 HD12 LEU A 7 -3.725 -2.237 5.560 1.00 0.00 H +ATOM 132 HD13 LEU A 7 -3.211 -0.549 5.739 1.00 0.00 H +ATOM 133 HD21 LEU A 7 -1.270 -2.989 5.354 1.00 0.00 H +ATOM 134 HD22 LEU A 7 -0.195 -2.045 4.300 1.00 0.00 H +ATOM 135 HD23 LEU A 7 -0.922 -1.286 5.712 1.00 0.00 H +ATOM 136 N LYS A 8 -2.753 -4.481 0.360 1.00 0.00 N +ATOM 137 CA LYS A 8 -3.024 -5.791 -0.269 1.00 0.00 C +ATOM 138 C LYS A 8 -1.796 -6.427 -0.937 1.00 0.00 C +ATOM 139 O LYS A 8 -1.719 -7.648 -1.030 1.00 0.00 O +ATOM 140 CB LYS A 8 -4.224 -5.697 -1.232 1.00 0.00 C +ATOM 141 CG LYS A 8 -3.930 -5.009 -2.577 1.00 0.00 C +ATOM 142 CD LYS A 8 -3.682 -5.986 -3.736 1.00 0.00 C +ATOM 143 CE LYS A 8 -3.494 -5.199 -5.039 1.00 0.00 C +ATOM 144 NZ LYS A 8 -4.563 -5.483 -6.023 1.00 0.00 N +ATOM 145 H LYS A 8 -3.321 -3.675 0.097 1.00 0.00 H +ATOM 146 HA LYS A 8 -3.309 -6.478 0.529 1.00 0.00 H +ATOM 147 HB2 LYS A 8 -4.565 -6.694 -1.436 1.00 0.00 H +ATOM 148 HB3 LYS A 8 -5.019 -5.143 -0.731 1.00 0.00 H +ATOM 149 HG2 LYS A 8 -4.769 -4.390 -2.830 1.00 0.00 H +ATOM 150 HG3 LYS A 8 -3.062 -4.368 -2.469 1.00 0.00 H +ATOM 151 HD2 LYS A 8 -2.799 -6.562 -3.536 1.00 0.00 H +ATOM 152 HD3 LYS A 8 -4.524 -6.674 -3.818 1.00 0.00 H +ATOM 153 HE2 LYS A 8 -3.502 -4.150 -4.813 1.00 0.00 H +ATOM 154 HE3 LYS A 8 -2.511 -5.439 -5.457 1.00 0.00 H +ATOM 155 HZ1 LYS A 8 -4.621 -6.474 -6.211 1.00 0.00 H +ATOM 156 HZ2 LYS A 8 -5.442 -5.124 -5.657 1.00 0.00 H +ATOM 157 HZ3 LYS A 8 -4.382 -4.983 -6.881 1.00 0.00 H +ATOM 158 N ASP A 9 -0.828 -5.607 -1.355 1.00 0.00 N +ATOM 159 CA ASP A 9 0.466 -6.016 -1.905 1.00 0.00 C +ATOM 160 C ASP A 9 1.481 -6.464 -0.832 1.00 0.00 C +ATOM 161 O ASP A 9 2.545 -6.971 -1.194 1.00 0.00 O +ATOM 162 CB ASP A 9 1.033 -4.839 -2.724 1.00 0.00 C +ATOM 163 CG ASP A 9 0.672 -4.906 -4.210 1.00 0.00 C +ATOM 164 OD1 ASP A 9 -0.532 -5.051 -4.522 1.00 0.00 O +ATOM 165 OD2 ASP A 9 1.627 -4.815 -5.017 1.00 0.00 O +ATOM 166 H ASP A 9 -1.010 -4.616 -1.291 1.00 0.00 H +ATOM 167 HA ASP A 9 0.319 -6.867 -2.574 1.00 0.00 H +ATOM 168 HB2 ASP A 9 0.644 -3.924 -2.320 1.00 0.00 H +ATOM 169 HB3 ASP A 9 2.116 -4.837 -2.650 1.00 0.00 H +ATOM 170 N GLY A 10 1.185 -6.278 0.464 1.00 0.00 N +ATOM 171 CA GLY A 10 2.060 -6.618 1.593 1.00 0.00 C +ATOM 172 C GLY A 10 2.628 -5.412 2.353 1.00 0.00 C +ATOM 173 O GLY A 10 3.496 -5.594 3.208 1.00 0.00 O +ATOM 174 H GLY A 10 0.265 -5.908 0.693 1.00 0.00 H +ATOM 175 HA2 GLY A 10 1.486 -7.214 2.304 1.00 0.00 H +ATOM 176 HA3 GLY A 10 2.897 -7.228 1.252 1.00 0.00 H +ATOM 177 N GLY A 11 2.172 -4.187 2.055 1.00 0.00 N +ATOM 178 CA GLY A 11 2.626 -2.967 2.723 1.00 0.00 C +ATOM 179 C GLY A 11 4.157 -2.802 2.654 1.00 0.00 C +ATOM 180 O GLY A 11 4.710 -2.829 1.551 1.00 0.00 O +ATOM 181 H GLY A 11 1.481 -4.089 1.319 1.00 0.00 H +ATOM 182 HA2 GLY A 11 2.164 -2.109 2.237 1.00 0.00 H +ATOM 183 HA3 GLY A 11 2.280 -2.997 3.753 1.00 0.00 H +ATOM 184 N PRO A 12 4.871 -2.651 3.794 1.00 0.00 N +ATOM 185 CA PRO A 12 6.333 -2.533 3.806 1.00 0.00 C +ATOM 186 C PRO A 12 7.058 -3.729 3.165 1.00 0.00 C +ATOM 187 O PRO A 12 8.139 -3.562 2.601 1.00 0.00 O +ATOM 188 CB PRO A 12 6.740 -2.387 5.279 1.00 0.00 C +ATOM 189 CG PRO A 12 5.460 -1.952 5.987 1.00 0.00 C +ATOM 190 CD PRO A 12 4.362 -2.615 5.160 1.00 0.00 C +ATOM 191 HA PRO A 12 6.611 -1.626 3.267 1.00 0.00 H +ATOM 192 HB2 PRO A 12 7.091 -3.323 5.670 1.00 0.00 H +ATOM 193 HB3 PRO A 12 7.531 -1.647 5.403 1.00 0.00 H +ATOM 194 HG2 PRO A 12 5.443 -2.302 7.001 1.00 0.00 H +ATOM 195 HG3 PRO A 12 5.358 -0.867 5.929 1.00 0.00 H +ATOM 196 HD2 PRO A 12 4.173 -3.609 5.516 1.00 0.00 H +ATOM 197 HD3 PRO A 12 3.440 -2.042 5.246 1.00 0.00 H +ATOM 198 N SER A 13 6.463 -4.929 3.205 1.00 0.00 N +ATOM 199 CA SER A 13 7.049 -6.179 2.704 1.00 0.00 C +ATOM 200 C SER A 13 6.897 -6.369 1.185 1.00 0.00 C +ATOM 201 O SER A 13 7.025 -7.488 0.697 1.00 0.00 O +ATOM 202 CB SER A 13 6.458 -7.371 3.472 1.00 0.00 C +ATOM 203 OG SER A 13 6.763 -7.264 4.850 1.00 0.00 O +ATOM 204 H SER A 13 5.535 -4.999 3.613 1.00 0.00 H +ATOM 205 HA SER A 13 8.121 -6.159 2.903 1.00 0.00 H +ATOM 206 HB2 SER A 13 5.393 -7.382 3.344 1.00 0.00 H +ATOM 207 HB3 SER A 13 6.880 -8.302 3.093 1.00 0.00 H +ATOM 208 HG SER A 13 7.707 -7.394 4.970 1.00 0.00 H +ATOM 209 N SER A 14 6.637 -5.290 0.434 1.00 0.00 N +ATOM 210 CA SER A 14 6.389 -5.315 -1.015 1.00 0.00 C +ATOM 211 C SER A 14 7.332 -4.405 -1.823 1.00 0.00 C +ATOM 212 O SER A 14 7.082 -4.123 -2.993 1.00 0.00 O +ATOM 213 CB SER A 14 4.914 -4.993 -1.265 1.00 0.00 C +ATOM 214 OG SER A 14 4.431 -5.743 -2.358 1.00 0.00 O +ATOM 215 H SER A 14 6.509 -4.415 0.930 1.00 0.00 H +ATOM 216 HA SER A 14 6.562 -6.329 -1.378 1.00 0.00 H +ATOM 217 HB2 SER A 14 4.344 -5.236 -0.389 1.00 0.00 H +ATOM 218 HB3 SER A 14 4.778 -3.934 -1.457 1.00 0.00 H +ATOM 219 HG SER A 14 3.714 -6.324 -1.987 1.00 0.00 H +ATOM 220 N GLY A 15 8.419 -3.920 -1.202 1.00 0.00 N +ATOM 221 CA GLY A 15 9.451 -3.116 -1.870 1.00 0.00 C +ATOM 222 C GLY A 15 8.984 -1.725 -2.316 1.00 0.00 C +ATOM 223 O GLY A 15 9.539 -1.177 -3.267 1.00 0.00 O +ATOM 224 H GLY A 15 8.573 -4.210 -0.246 1.00 0.00 H +ATOM 225 HA2 GLY A 15 10.297 -2.987 -1.194 1.00 0.00 H +ATOM 226 HA3 GLY A 15 9.805 -3.652 -2.752 1.00 0.00 H +ATOM 227 N ARG A 16 7.956 -1.164 -1.660 1.00 0.00 N +ATOM 228 CA ARG A 16 7.289 0.084 -2.054 1.00 0.00 C +ATOM 229 C ARG A 16 6.855 0.916 -0.829 1.00 0.00 C +ATOM 230 O ARG A 16 6.222 0.366 0.076 1.00 0.00 O +ATOM 231 CB ARG A 16 6.110 -0.243 -2.994 1.00 0.00 C +ATOM 232 CG ARG A 16 5.046 -1.171 -2.378 1.00 0.00 C +ATOM 233 CD ARG A 16 3.923 -1.592 -3.338 1.00 0.00 C +ATOM 234 NE ARG A 16 4.251 -2.811 -4.100 1.00 0.00 N +ATOM 235 CZ ARG A 16 4.859 -2.914 -5.274 1.00 0.00 C +ATOM 236 NH1 ARG A 16 5.289 -1.864 -5.937 1.00 0.00 N +ATOM 237 NH2 ARG A 16 5.035 -4.095 -5.809 1.00 0.00 N +ATOM 238 H ARG A 16 7.579 -1.676 -0.874 1.00 0.00 H +ATOM 239 HA ARG A 16 8.009 0.663 -2.630 1.00 0.00 H +ATOM 240 HB2 ARG A 16 5.634 0.678 -3.269 1.00 0.00 H +ATOM 241 HB3 ARG A 16 6.524 -0.720 -3.880 1.00 0.00 H +ATOM 242 HG2 ARG A 16 5.538 -2.059 -2.031 1.00 0.00 H +ATOM 243 HG3 ARG A 16 4.579 -0.652 -1.549 1.00 0.00 H +ATOM 244 HD2 ARG A 16 3.033 -1.774 -2.766 1.00 0.00 H +ATOM 245 HD3 ARG A 16 3.669 -0.765 -4.003 1.00 0.00 H +ATOM 246 HE ARG A 16 3.963 -3.694 -3.698 1.00 0.00 H +ATOM 247 HH11 ARG A 16 5.150 -0.962 -5.521 1.00 0.00 H +ATOM 248 HH12 ARG A 16 5.761 -1.962 -6.815 1.00 0.00 H +ATOM 249 HH21 ARG A 16 4.649 -4.894 -5.327 1.00 0.00 H +ATOM 250 HH22 ARG A 16 5.508 -4.205 -6.684 1.00 0.00 H +ATOM 251 N PRO A 17 7.156 2.230 -0.780 1.00 0.00 N +ATOM 252 CA PRO A 17 6.782 3.088 0.345 1.00 0.00 C +ATOM 253 C PRO A 17 5.261 3.331 0.395 1.00 0.00 C +ATOM 254 O PRO A 17 4.586 3.165 -0.624 1.00 0.00 O +ATOM 255 CB PRO A 17 7.554 4.394 0.119 1.00 0.00 C +ATOM 256 CG PRO A 17 7.677 4.474 -1.401 1.00 0.00 C +ATOM 257 CD PRO A 17 7.820 3.010 -1.816 1.00 0.00 C +ATOM 258 HA PRO A 17 7.107 2.628 1.279 1.00 0.00 H +ATOM 259 HB2 PRO A 17 7.009 5.234 0.505 1.00 0.00 H +ATOM 260 HB3 PRO A 17 8.548 4.308 0.561 1.00 0.00 H +ATOM 261 HG2 PRO A 17 6.800 4.914 -1.836 1.00 0.00 H +ATOM 262 HG3 PRO A 17 8.540 5.066 -1.707 1.00 0.00 H +ATOM 263 HD2 PRO A 17 7.349 2.844 -2.766 1.00 0.00 H +ATOM 264 HD3 PRO A 17 8.876 2.739 -1.855 1.00 0.00 H +ATOM 265 N PRO A 18 4.710 3.739 1.555 1.00 0.00 N +ATOM 266 CA PRO A 18 3.287 4.031 1.686 1.00 0.00 C +ATOM 267 C PRO A 18 2.901 5.305 0.913 1.00 0.00 C +ATOM 268 O PRO A 18 3.684 6.256 0.871 1.00 0.00 O +ATOM 269 CB PRO A 18 3.035 4.190 3.187 1.00 0.00 C +ATOM 270 CG PRO A 18 4.385 4.655 3.729 1.00 0.00 C +ATOM 271 CD PRO A 18 5.393 3.949 2.823 1.00 0.00 C +ATOM 272 HA PRO A 18 2.719 3.181 1.316 1.00 0.00 H +ATOM 273 HB2 PRO A 18 2.274 4.924 3.372 1.00 0.00 H +ATOM 274 HB3 PRO A 18 2.781 3.223 3.618 1.00 0.00 H +ATOM 275 HG2 PRO A 18 4.482 5.721 3.654 1.00 0.00 H +ATOM 276 HG3 PRO A 18 4.518 4.377 4.775 1.00 0.00 H +ATOM 277 HD2 PRO A 18 6.262 4.562 2.682 1.00 0.00 H +ATOM 278 HD3 PRO A 18 5.662 2.983 3.253 1.00 0.00 H +ATOM 279 N PRO A 19 1.688 5.360 0.336 1.00 0.00 N +ATOM 280 CA PRO A 19 1.185 6.543 -0.353 1.00 0.00 C +ATOM 281 C PRO A 19 0.715 7.607 0.655 1.00 0.00 C +ATOM 282 O PRO A 19 -0.124 7.324 1.513 1.00 0.00 O +ATOM 283 CB PRO A 19 0.048 6.014 -1.229 1.00 0.00 C +ATOM 284 CG PRO A 19 -0.519 4.852 -0.412 1.00 0.00 C +ATOM 285 CD PRO A 19 0.716 4.275 0.272 1.00 0.00 C +ATOM 286 HA PRO A 19 1.961 6.966 -0.991 1.00 0.00 H +ATOM 287 HB2 PRO A 19 -0.697 6.770 -1.389 1.00 0.00 H +ATOM 288 HB3 PRO A 19 0.463 5.630 -2.162 1.00 0.00 H +ATOM 289 HG2 PRO A 19 -1.232 5.201 0.310 1.00 0.00 H +ATOM 290 HG3 PRO A 19 -1.019 4.114 -1.041 1.00 0.00 H +ATOM 291 HD2 PRO A 19 0.470 3.937 1.260 1.00 0.00 H +ATOM 292 HD3 PRO A 19 1.121 3.461 -0.329 1.00 0.00 H +ATOM 293 N SER A 20 1.271 8.822 0.549 1.00 0.00 N +ATOM 294 CA SER A 20 0.852 10.027 1.285 1.00 0.00 C +ATOM 295 C SER A 20 -0.406 10.657 0.683 1.00 0.00 C +ATOM 296 O SER A 20 -0.387 10.916 -0.540 1.00 0.00 O +ATOM 297 CB SER A 20 1.972 11.071 1.284 1.00 0.00 C +ATOM 298 OG SER A 20 3.120 10.541 1.911 1.00 0.00 O +ATOM 299 OXT SER A 20 -1.341 10.903 1.473 1.00 0.00 O +ATOM 300 H SER A 20 1.969 8.961 -0.165 1.00 0.00 H +ATOM 301 HA SER A 20 0.601 9.760 2.310 1.00 0.00 H +ATOM 302 HB2 SER A 20 2.210 11.338 0.272 1.00 0.00 H +ATOM 303 HB3 SER A 20 1.636 11.959 1.824 1.00 0.00 H +ATOM 304 HG SER A 20 2.831 10.040 2.676 1.00 0.00 H +TER 305 SER A 20 +ENDMDL +MODEL 2 +ATOM 1 N ASN A 1 -6.919 6.901 0.917 1.00 0.00 N +ATOM 2 CA ASN A 1 -7.682 6.025 -0.010 1.00 0.00 C +ATOM 3 C ASN A 1 -6.840 4.889 -0.589 1.00 0.00 C +ATOM 4 O ASN A 1 -7.106 3.741 -0.253 1.00 0.00 O +ATOM 5 CB ASN A 1 -8.428 6.847 -1.072 1.00 0.00 C +ATOM 6 CG ASN A 1 -9.504 7.659 -0.362 1.00 0.00 C +ATOM 7 OD1 ASN A 1 -9.180 8.568 0.382 1.00 0.00 O +ATOM 8 ND2 ASN A 1 -10.768 7.290 -0.468 1.00 0.00 N +ATOM 9 H1 ASN A 1 -6.513 6.358 1.667 1.00 0.00 H +ATOM 10 H2 ASN A 1 -6.191 7.398 0.422 1.00 0.00 H +ATOM 11 H3 ASN A 1 -7.553 7.592 1.308 1.00 0.00 H +ATOM 12 HA ASN A 1 -8.451 5.523 0.581 1.00 0.00 H +ATOM 13 HB2 ASN A 1 -7.743 7.506 -1.571 1.00 0.00 H +ATOM 14 HB3 ASN A 1 -8.886 6.189 -1.811 1.00 0.00 H +ATOM 15 HD21 ASN A 1 -11.078 6.519 -1.037 1.00 0.00 H +ATOM 16 HD22 ASN A 1 -11.417 7.848 0.064 1.00 0.00 H +ATOM 17 N LEU A 2 -5.819 5.175 -1.412 1.00 0.00 N +ATOM 18 CA LEU A 2 -5.020 4.162 -2.130 1.00 0.00 C +ATOM 19 C LEU A 2 -4.244 3.179 -1.224 1.00 0.00 C +ATOM 20 O LEU A 2 -3.761 2.148 -1.693 1.00 0.00 O +ATOM 21 CB LEU A 2 -4.073 4.863 -3.128 1.00 0.00 C +ATOM 22 CG LEU A 2 -4.831 5.608 -4.250 1.00 0.00 C +ATOM 23 CD1 LEU A 2 -5.010 7.109 -3.963 1.00 0.00 C +ATOM 24 CD2 LEU A 2 -4.110 5.465 -5.592 1.00 0.00 C +ATOM 25 H LEU A 2 -5.631 6.133 -1.665 1.00 0.00 H +ATOM 26 HA LEU A 2 -5.709 3.545 -2.710 1.00 0.00 H +ATOM 27 HB2 LEU A 2 -3.472 5.572 -2.591 1.00 0.00 H +ATOM 28 HB3 LEU A 2 -3.451 4.089 -3.583 1.00 0.00 H +ATOM 29 HG LEU A 2 -5.820 5.160 -4.359 1.00 0.00 H +ATOM 30 HD11 LEU A 2 -5.173 7.303 -2.907 1.00 0.00 H +ATOM 31 HD12 LEU A 2 -4.124 7.663 -4.273 1.00 0.00 H +ATOM 32 HD13 LEU A 2 -5.867 7.480 -4.526 1.00 0.00 H +ATOM 33 HD21 LEU A 2 -3.114 5.904 -5.535 1.00 0.00 H +ATOM 34 HD22 LEU A 2 -4.023 4.410 -5.855 1.00 0.00 H +ATOM 35 HD23 LEU A 2 -4.683 5.969 -6.371 1.00 0.00 H +ATOM 36 N TYR A 3 -4.181 3.456 0.082 1.00 0.00 N +ATOM 37 CA TYR A 3 -3.537 2.636 1.105 1.00 0.00 C +ATOM 38 C TYR A 3 -4.038 1.181 1.139 1.00 0.00 C +ATOM 39 O TYR A 3 -3.259 0.273 1.413 1.00 0.00 O +ATOM 40 CB TYR A 3 -3.727 3.313 2.471 1.00 0.00 C +ATOM 41 CG TYR A 3 -2.520 3.154 3.365 1.00 0.00 C +ATOM 42 CD1 TYR A 3 -2.382 2.007 4.169 1.00 0.00 C +ATOM 43 CD2 TYR A 3 -1.514 4.139 3.357 1.00 0.00 C +ATOM 44 CE1 TYR A 3 -1.233 1.840 4.963 1.00 0.00 C +ATOM 45 CE2 TYR A 3 -0.365 3.977 4.149 1.00 0.00 C +ATOM 46 CZ TYR A 3 -0.218 2.820 4.947 1.00 0.00 C +ATOM 47 OH TYR A 3 0.909 2.639 5.687 1.00 0.00 O +ATOM 48 H TYR A 3 -4.618 4.309 0.378 1.00 0.00 H +ATOM 49 HA TYR A 3 -2.470 2.610 0.881 1.00 0.00 H +ATOM 50 HB2 TYR A 3 -3.905 4.360 2.315 1.00 0.00 H +ATOM 51 HB3 TYR A 3 -4.610 2.907 2.968 1.00 0.00 H +ATOM 52 HD1 TYR A 3 -3.154 1.253 4.165 1.00 0.00 H +ATOM 53 HD2 TYR A 3 -1.614 5.025 2.743 1.00 0.00 H +ATOM 54 HE1 TYR A 3 -1.110 0.964 5.579 1.00 0.00 H +ATOM 55 HE2 TYR A 3 0.390 4.746 4.148 1.00 0.00 H +ATOM 56 HH TYR A 3 1.602 3.248 5.433 1.00 0.00 H +ATOM 57 N ILE A 4 -5.316 0.947 0.804 1.00 0.00 N +ATOM 58 CA ILE A 4 -5.914 -0.393 0.686 1.00 0.00 C +ATOM 59 C ILE A 4 -5.157 -1.200 -0.382 1.00 0.00 C +ATOM 60 O ILE A 4 -4.755 -2.338 -0.140 1.00 0.00 O +ATOM 61 CB ILE A 4 -7.421 -0.283 0.330 1.00 0.00 C +ATOM 62 CG1 ILE A 4 -8.214 0.632 1.300 1.00 0.00 C +ATOM 63 CG2 ILE A 4 -8.099 -1.670 0.270 1.00 0.00 C +ATOM 64 CD1 ILE A 4 -9.489 1.191 0.662 1.00 0.00 C +ATOM 65 H ILE A 4 -5.889 1.753 0.580 1.00 0.00 H +ATOM 66 HA ILE A 4 -5.814 -0.911 1.639 1.00 0.00 H +ATOM 67 HB ILE A 4 -7.477 0.157 -0.667 1.00 0.00 H +ATOM 68 HG12 ILE A 4 -8.484 0.062 2.168 1.00 0.00 H +ATOM 69 HG13 ILE A 4 -7.616 1.489 1.603 1.00 0.00 H +ATOM 70 HG21 ILE A 4 -7.421 -2.428 -0.112 1.00 0.00 H +ATOM 71 HG22 ILE A 4 -8.432 -1.979 1.263 1.00 0.00 H +ATOM 72 HG23 ILE A 4 -8.967 -1.620 -0.389 1.00 0.00 H +ATOM 73 HD11 ILE A 4 -9.235 1.742 -0.245 1.00 0.00 H +ATOM 74 HD12 ILE A 4 -10.180 0.385 0.416 1.00 0.00 H +ATOM 75 HD13 ILE A 4 -9.973 1.875 1.360 1.00 0.00 H +ATOM 76 N GLN A 5 -4.948 -0.605 -1.564 1.00 0.00 N +ATOM 77 CA GLN A 5 -4.253 -1.225 -2.692 1.00 0.00 C +ATOM 78 C GLN A 5 -2.763 -1.444 -2.393 1.00 0.00 C +ATOM 79 O GLN A 5 -2.186 -2.435 -2.832 1.00 0.00 O +ATOM 80 CB GLN A 5 -4.443 -0.345 -3.944 1.00 0.00 C +ATOM 81 CG GLN A 5 -4.608 -1.157 -5.242 1.00 0.00 C +ATOM 82 CD GLN A 5 -5.950 -0.859 -5.909 1.00 0.00 C +ATOM 83 OE1 GLN A 5 -6.138 0.164 -6.544 1.00 0.00 O +ATOM 84 NE2 GLN A 5 -6.941 -1.718 -5.770 1.00 0.00 N +ATOM 85 H GLN A 5 -5.217 0.365 -1.657 1.00 0.00 H +ATOM 86 HA GLN A 5 -4.707 -2.201 -2.864 1.00 0.00 H +ATOM 87 HB2 GLN A 5 -5.320 0.258 -3.806 1.00 0.00 H +ATOM 88 HB3 GLN A 5 -3.591 0.328 -4.050 1.00 0.00 H +ATOM 89 HG2 GLN A 5 -3.816 -0.901 -5.919 1.00 0.00 H +ATOM 90 HG3 GLN A 5 -4.525 -2.228 -5.051 1.00 0.00 H +ATOM 91 HE21 GLN A 5 -6.847 -2.590 -5.280 1.00 0.00 H +ATOM 92 HE22 GLN A 5 -7.781 -1.439 -6.247 1.00 0.00 H +ATOM 93 N TRP A 6 -2.145 -0.549 -1.610 1.00 0.00 N +ATOM 94 CA TRP A 6 -0.791 -0.749 -1.090 1.00 0.00 C +ATOM 95 C TRP A 6 -0.713 -1.909 -0.084 1.00 0.00 C +ATOM 96 O TRP A 6 0.161 -2.766 -0.210 1.00 0.00 O +ATOM 97 CB TRP A 6 -0.266 0.564 -0.501 1.00 0.00 C +ATOM 98 CG TRP A 6 1.149 0.501 -0.014 1.00 0.00 C +ATOM 99 CD1 TRP A 6 2.254 0.539 -0.795 1.00 0.00 C +ATOM 100 CD2 TRP A 6 1.637 0.388 1.358 1.00 0.00 C +ATOM 101 NE1 TRP A 6 3.382 0.433 -0.006 1.00 0.00 N +ATOM 102 CE2 TRP A 6 3.062 0.366 1.327 1.00 0.00 C +ATOM 103 CE3 TRP A 6 1.023 0.313 2.627 1.00 0.00 C +ATOM 104 CZ2 TRP A 6 3.844 0.308 2.487 1.00 0.00 C +ATOM 105 CZ3 TRP A 6 1.800 0.231 3.799 1.00 0.00 C +ATOM 106 CH2 TRP A 6 3.205 0.246 3.733 1.00 0.00 C +ATOM 107 H TRP A 6 -2.669 0.277 -1.341 1.00 0.00 H +ATOM 108 HA TRP A 6 -0.144 -1.024 -1.920 1.00 0.00 H +ATOM 109 HB2 TRP A 6 -0.327 1.320 -1.260 1.00 0.00 H +ATOM 110 HB3 TRP A 6 -0.903 0.868 0.329 1.00 0.00 H +ATOM 111 HD1 TRP A 6 2.260 0.636 -1.868 1.00 0.00 H +ATOM 112 HE1 TRP A 6 4.347 0.425 -0.348 1.00 0.00 H +ATOM 113 HE3 TRP A 6 -0.055 0.327 2.692 1.00 0.00 H +ATOM 114 HZ2 TRP A 6 4.922 0.297 2.403 1.00 0.00 H +ATOM 115 HZ3 TRP A 6 1.315 0.170 4.763 1.00 0.00 H +ATOM 116 HH2 TRP A 6 3.791 0.201 4.639 1.00 0.00 H +ATOM 117 N LEU A 7 -1.646 -1.992 0.877 1.00 0.00 N +ATOM 118 CA LEU A 7 -1.701 -3.105 1.831 1.00 0.00 C +ATOM 119 C LEU A 7 -1.917 -4.465 1.152 1.00 0.00 C +ATOM 120 O LEU A 7 -1.290 -5.437 1.570 1.00 0.00 O +ATOM 121 CB LEU A 7 -2.777 -2.856 2.905 1.00 0.00 C +ATOM 122 CG LEU A 7 -2.370 -1.808 3.958 1.00 0.00 C +ATOM 123 CD1 LEU A 7 -3.595 -1.444 4.805 1.00 0.00 C +ATOM 124 CD2 LEU A 7 -1.255 -2.296 4.897 1.00 0.00 C +ATOM 125 H LEU A 7 -2.325 -1.238 0.964 1.00 0.00 H +ATOM 126 HA LEU A 7 -0.726 -3.167 2.315 1.00 0.00 H +ATOM 127 HB2 LEU A 7 -3.670 -2.517 2.417 1.00 0.00 H +ATOM 128 HB3 LEU A 7 -2.988 -3.793 3.422 1.00 0.00 H +ATOM 129 HG LEU A 7 -2.023 -0.911 3.448 1.00 0.00 H +ATOM 130 HD11 LEU A 7 -4.368 -1.013 4.171 1.00 0.00 H +ATOM 131 HD12 LEU A 7 -3.990 -2.337 5.292 1.00 0.00 H +ATOM 132 HD13 LEU A 7 -3.314 -0.721 5.570 1.00 0.00 H +ATOM 133 HD21 LEU A 7 -1.674 -2.706 5.816 1.00 0.00 H +ATOM 134 HD22 LEU A 7 -0.651 -3.072 4.431 1.00 0.00 H +ATOM 135 HD23 LEU A 7 -0.606 -1.459 5.148 1.00 0.00 H +ATOM 136 N LYS A 8 -2.727 -4.538 0.081 1.00 0.00 N +ATOM 137 CA LYS A 8 -2.916 -5.759 -0.732 1.00 0.00 C +ATOM 138 C LYS A 8 -1.597 -6.366 -1.231 1.00 0.00 C +ATOM 139 O LYS A 8 -1.499 -7.582 -1.342 1.00 0.00 O +ATOM 140 CB LYS A 8 -3.803 -5.459 -1.952 1.00 0.00 C +ATOM 141 CG LYS A 8 -5.289 -5.218 -1.653 1.00 0.00 C +ATOM 142 CD LYS A 8 -6.117 -6.512 -1.588 1.00 0.00 C +ATOM 143 CE LYS A 8 -7.591 -6.248 -1.927 1.00 0.00 C +ATOM 144 NZ LYS A 8 -8.242 -5.337 -0.956 1.00 0.00 N +ATOM 145 H LYS A 8 -3.244 -3.695 -0.159 1.00 0.00 H +ATOM 146 HA LYS A 8 -3.390 -6.527 -0.119 1.00 0.00 H +ATOM 147 HB2 LYS A 8 -3.417 -4.581 -2.432 1.00 0.00 H +ATOM 148 HB3 LYS A 8 -3.718 -6.282 -2.665 1.00 0.00 H +ATOM 149 HG2 LYS A 8 -5.369 -4.715 -0.708 1.00 0.00 H +ATOM 150 HG3 LYS A 8 -5.682 -4.593 -2.456 1.00 0.00 H +ATOM 151 HD2 LYS A 8 -5.718 -7.218 -2.290 1.00 0.00 H +ATOM 152 HD3 LYS A 8 -6.028 -6.959 -0.595 1.00 0.00 H +ATOM 153 HE2 LYS A 8 -7.646 -5.806 -2.903 1.00 0.00 H +ATOM 154 HE3 LYS A 8 -8.119 -7.204 -1.955 1.00 0.00 H +ATOM 155 HZ1 LYS A 8 -8.219 -5.741 -0.030 1.00 0.00 H +ATOM 156 HZ2 LYS A 8 -7.756 -4.452 -0.934 1.00 0.00 H +ATOM 157 HZ3 LYS A 8 -9.207 -5.176 -1.217 1.00 0.00 H +ATOM 158 N ASP A 9 -0.598 -5.528 -1.520 1.00 0.00 N +ATOM 159 CA ASP A 9 0.739 -5.926 -1.971 1.00 0.00 C +ATOM 160 C ASP A 9 1.608 -6.494 -0.823 1.00 0.00 C +ATOM 161 O ASP A 9 2.705 -7.002 -1.069 1.00 0.00 O +ATOM 162 CB ASP A 9 1.387 -4.675 -2.604 1.00 0.00 C +ATOM 163 CG ASP A 9 2.379 -4.929 -3.745 1.00 0.00 C +ATOM 164 OD1 ASP A 9 2.947 -6.037 -3.844 1.00 0.00 O +ATOM 165 OD2 ASP A 9 2.565 -3.967 -4.523 1.00 0.00 O +ATOM 166 H ASP A 9 -0.766 -4.537 -1.399 1.00 0.00 H +ATOM 167 HA ASP A 9 0.643 -6.697 -2.737 1.00 0.00 H +ATOM 168 HB2 ASP A 9 0.598 -4.057 -2.988 1.00 0.00 H +ATOM 169 HB3 ASP A 9 1.882 -4.089 -1.828 1.00 0.00 H +ATOM 170 N GLY A 10 1.186 -6.365 0.446 1.00 0.00 N +ATOM 171 CA GLY A 10 1.973 -6.740 1.632 1.00 0.00 C +ATOM 172 C GLY A 10 2.532 -5.564 2.451 1.00 0.00 C +ATOM 173 O GLY A 10 3.354 -5.783 3.347 1.00 0.00 O +ATOM 174 H GLY A 10 0.256 -5.985 0.605 1.00 0.00 H +ATOM 175 HA2 GLY A 10 1.333 -7.328 2.291 1.00 0.00 H +ATOM 176 HA3 GLY A 10 2.812 -7.373 1.342 1.00 0.00 H +ATOM 177 N GLY A 11 2.105 -4.325 2.171 1.00 0.00 N +ATOM 178 CA GLY A 11 2.505 -3.133 2.918 1.00 0.00 C +ATOM 179 C GLY A 11 4.031 -2.908 2.926 1.00 0.00 C +ATOM 180 O GLY A 11 4.638 -2.849 1.855 1.00 0.00 O +ATOM 181 H GLY A 11 1.516 -4.204 1.357 1.00 0.00 H +ATOM 182 HA2 GLY A 11 2.038 -2.263 2.459 1.00 0.00 H +ATOM 183 HA3 GLY A 11 2.123 -3.226 3.932 1.00 0.00 H +ATOM 184 N PRO A 12 4.693 -2.777 4.097 1.00 0.00 N +ATOM 185 CA PRO A 12 6.148 -2.595 4.163 1.00 0.00 C +ATOM 186 C PRO A 12 6.957 -3.724 3.506 1.00 0.00 C +ATOM 187 O PRO A 12 8.099 -3.504 3.110 1.00 0.00 O +ATOM 188 CB PRO A 12 6.499 -2.497 5.652 1.00 0.00 C +ATOM 189 CG PRO A 12 5.185 -2.111 6.326 1.00 0.00 C +ATOM 190 CD PRO A 12 4.127 -2.769 5.441 1.00 0.00 C +ATOM 191 HA PRO A 12 6.400 -1.655 3.673 1.00 0.00 H +ATOM 192 HB2 PRO A 12 6.853 -3.440 6.022 1.00 0.00 H +ATOM 193 HB3 PRO A 12 7.273 -1.749 5.829 1.00 0.00 H +ATOM 194 HG2 PRO A 12 5.140 -2.494 7.327 1.00 0.00 H +ATOM 195 HG3 PRO A 12 5.066 -1.027 6.297 1.00 0.00 H +ATOM 196 HD2 PRO A 12 3.932 -3.771 5.772 1.00 0.00 H +ATOM 197 HD3 PRO A 12 3.200 -2.199 5.491 1.00 0.00 H +ATOM 198 N SER A 13 6.381 -4.927 3.375 1.00 0.00 N +ATOM 199 CA SER A 13 7.056 -6.106 2.818 1.00 0.00 C +ATOM 200 C SER A 13 7.017 -6.159 1.275 1.00 0.00 C +ATOM 201 O SER A 13 7.448 -7.142 0.680 1.00 0.00 O +ATOM 202 CB SER A 13 6.474 -7.366 3.479 1.00 0.00 C +ATOM 203 OG SER A 13 7.471 -8.354 3.649 1.00 0.00 O +ATOM 204 H SER A 13 5.406 -5.030 3.647 1.00 0.00 H +ATOM 205 HA SER A 13 8.108 -6.044 3.095 1.00 0.00 H +ATOM 206 HB2 SER A 13 6.071 -7.105 4.439 1.00 0.00 H +ATOM 207 HB3 SER A 13 5.651 -7.761 2.885 1.00 0.00 H +ATOM 208 HG SER A 13 8.161 -8.011 4.225 1.00 0.00 H +ATOM 209 N SER A 14 6.529 -5.095 0.619 1.00 0.00 N +ATOM 210 CA SER A 14 6.302 -5.007 -0.834 1.00 0.00 C +ATOM 211 C SER A 14 7.350 -4.180 -1.591 1.00 0.00 C +ATOM 212 O SER A 14 7.202 -3.947 -2.792 1.00 0.00 O +ATOM 213 CB SER A 14 4.935 -4.369 -1.091 1.00 0.00 C +ATOM 214 OG SER A 14 3.965 -4.957 -0.265 1.00 0.00 O +ATOM 215 H SER A 14 6.105 -4.361 1.178 1.00 0.00 H +ATOM 216 HA SER A 14 6.289 -6.011 -1.260 1.00 0.00 H +ATOM 217 HB2 SER A 14 4.989 -3.318 -0.882 1.00 0.00 H +ATOM 218 HB3 SER A 14 4.656 -4.489 -2.138 1.00 0.00 H +ATOM 219 HG SER A 14 3.647 -5.806 -0.666 1.00 0.00 H +ATOM 220 N GLY A 15 8.373 -3.654 -0.908 1.00 0.00 N +ATOM 221 CA GLY A 15 9.445 -2.839 -1.497 1.00 0.00 C +ATOM 222 C GLY A 15 9.049 -1.393 -1.840 1.00 0.00 C +ATOM 223 O GLY A 15 9.855 -0.483 -1.659 1.00 0.00 O +ATOM 224 H GLY A 15 8.407 -3.857 0.081 1.00 0.00 H +ATOM 225 HA2 GLY A 15 10.287 -2.809 -0.807 1.00 0.00 H +ATOM 226 HA3 GLY A 15 9.786 -3.320 -2.417 1.00 0.00 H +ATOM 227 N ARG A 16 7.819 -1.163 -2.323 1.00 0.00 N +ATOM 228 CA ARG A 16 7.267 0.167 -2.623 1.00 0.00 C +ATOM 229 C ARG A 16 6.861 0.912 -1.332 1.00 0.00 C +ATOM 230 O ARG A 16 6.127 0.334 -0.526 1.00 0.00 O +ATOM 231 CB ARG A 16 6.068 -0.003 -3.571 1.00 0.00 C +ATOM 232 CG ARG A 16 5.414 1.333 -3.977 1.00 0.00 C +ATOM 233 CD ARG A 16 4.325 1.183 -5.049 1.00 0.00 C +ATOM 234 NE ARG A 16 3.153 0.425 -4.574 1.00 0.00 N +ATOM 235 CZ ARG A 16 2.950 -0.885 -4.652 1.00 0.00 C +ATOM 236 NH1 ARG A 16 3.781 -1.719 -5.224 1.00 0.00 N +ATOM 237 NH2 ARG A 16 1.882 -1.432 -4.137 1.00 0.00 N +ATOM 238 H ARG A 16 7.253 -1.991 -2.486 1.00 0.00 H +ATOM 239 HA ARG A 16 8.044 0.730 -3.139 1.00 0.00 H +ATOM 240 HB2 ARG A 16 6.405 -0.501 -4.460 1.00 0.00 H +ATOM 241 HB3 ARG A 16 5.323 -0.632 -3.081 1.00 0.00 H +ATOM 242 HG2 ARG A 16 4.972 1.774 -3.104 1.00 0.00 H +ATOM 243 HG3 ARG A 16 6.184 1.994 -4.374 1.00 0.00 H +ATOM 244 HD2 ARG A 16 4.002 2.161 -5.348 1.00 0.00 H +ATOM 245 HD3 ARG A 16 4.750 0.718 -5.940 1.00 0.00 H +ATOM 246 HE ARG A 16 2.420 0.960 -4.143 1.00 0.00 H +ATOM 247 HH11 ARG A 16 4.628 -1.423 -5.666 1.00 0.00 H +ATOM 248 HH12 ARG A 16 3.523 -2.718 -5.142 1.00 0.00 H +ATOM 249 HH21 ARG A 16 1.142 -0.941 -3.681 1.00 0.00 H +ATOM 250 HH22 ARG A 16 1.880 -2.460 -4.219 1.00 0.00 H +ATOM 251 N PRO A 17 7.251 2.191 -1.139 1.00 0.00 N +ATOM 252 CA PRO A 17 6.871 2.981 0.038 1.00 0.00 C +ATOM 253 C PRO A 17 5.351 3.255 0.119 1.00 0.00 C +ATOM 254 O PRO A 17 4.652 3.132 -0.890 1.00 0.00 O +ATOM 255 CB PRO A 17 7.673 4.286 -0.077 1.00 0.00 C +ATOM 256 CG PRO A 17 7.906 4.435 -1.577 1.00 0.00 C +ATOM 257 CD PRO A 17 8.086 2.989 -2.028 1.00 0.00 C +ATOM 258 HA PRO A 17 7.180 2.447 0.936 1.00 0.00 H +ATOM 259 HB2 PRO A 17 7.111 5.116 0.307 1.00 0.00 H +ATOM 260 HB3 PRO A 17 8.633 4.169 0.430 1.00 0.00 H +ATOM 261 HG2 PRO A 17 7.061 4.889 -2.058 1.00 0.00 H +ATOM 262 HG3 PRO A 17 8.783 5.042 -1.795 1.00 0.00 H +ATOM 263 HD2 PRO A 17 7.767 2.872 -3.046 1.00 0.00 H +ATOM 264 HD3 PRO A 17 9.129 2.692 -1.905 1.00 0.00 H +ATOM 265 N PRO A 18 4.829 3.643 1.300 1.00 0.00 N +ATOM 266 CA PRO A 18 3.403 3.904 1.495 1.00 0.00 C +ATOM 267 C PRO A 18 2.923 5.149 0.722 1.00 0.00 C +ATOM 268 O PRO A 18 3.644 6.147 0.672 1.00 0.00 O +ATOM 269 CB PRO A 18 3.222 4.081 3.006 1.00 0.00 C +ATOM 270 CG PRO A 18 4.595 4.541 3.490 1.00 0.00 C +ATOM 271 CD PRO A 18 5.551 3.810 2.554 1.00 0.00 C +ATOM 272 HA PRO A 18 2.843 3.030 1.174 1.00 0.00 H +ATOM 273 HB2 PRO A 18 2.475 4.822 3.217 1.00 0.00 H +ATOM 274 HB3 PRO A 18 2.979 3.120 3.459 1.00 0.00 H +ATOM 275 HG2 PRO A 18 4.701 5.605 3.396 1.00 0.00 H +ATOM 276 HG3 PRO A 18 4.768 4.278 4.535 1.00 0.00 H +ATOM 277 HD2 PRO A 18 6.440 4.391 2.399 1.00 0.00 H +ATOM 278 HD3 PRO A 18 5.790 2.828 2.968 1.00 0.00 H +ATOM 279 N PRO A 19 1.700 5.129 0.152 1.00 0.00 N +ATOM 280 CA PRO A 19 1.125 6.268 -0.557 1.00 0.00 C +ATOM 281 C PRO A 19 0.575 7.306 0.435 1.00 0.00 C +ATOM 282 O PRO A 19 -0.344 7.009 1.205 1.00 0.00 O +ATOM 283 CB PRO A 19 0.028 5.669 -1.440 1.00 0.00 C +ATOM 284 CG PRO A 19 -0.475 4.478 -0.625 1.00 0.00 C +ATOM 285 CD PRO A 19 0.782 3.998 0.106 1.00 0.00 C +ATOM 286 HA PRO A 19 1.879 6.738 -1.190 1.00 0.00 H +ATOM 287 HB2 PRO A 19 -0.759 6.379 -1.608 1.00 0.00 H +ATOM 288 HB3 PRO A 19 0.474 5.307 -2.369 1.00 0.00 H +ATOM 289 HG2 PRO A 19 -1.233 4.781 0.071 1.00 0.00 H +ATOM 290 HG3 PRO A 19 -0.891 3.701 -1.265 1.00 0.00 H +ATOM 291 HD2 PRO A 19 0.533 3.683 1.101 1.00 0.00 H +ATOM 292 HD3 PRO A 19 1.245 3.191 -0.461 1.00 0.00 H +ATOM 293 N SER A 20 1.145 8.513 0.410 1.00 0.00 N +ATOM 294 CA SER A 20 0.696 9.699 1.148 1.00 0.00 C +ATOM 295 C SER A 20 -0.231 10.590 0.317 1.00 0.00 C +ATOM 296 O SER A 20 -1.174 11.122 0.943 1.00 0.00 O +ATOM 297 CB SER A 20 1.911 10.475 1.671 1.00 0.00 C +ATOM 298 OG SER A 20 2.908 10.615 0.673 1.00 0.00 O +ATOM 299 OXT SER A 20 -0.010 10.716 -0.908 1.00 0.00 O +ATOM 300 H SER A 20 1.907 8.704 -0.228 1.00 0.00 H +ATOM 301 HA SER A 20 0.105 9.384 2.006 1.00 0.00 H +ATOM 302 HB2 SER A 20 1.593 11.450 1.985 1.00 0.00 H +ATOM 303 HB3 SER A 20 2.334 9.927 2.515 1.00 0.00 H +ATOM 304 HG SER A 20 3.569 11.243 0.968 1.00 0.00 H +TER 305 SER A 20 +ENDMDL +MODEL 3 +ATOM 1 N ASN A 1 -6.589 7.754 -0.571 1.00 0.00 N +ATOM 2 CA ASN A 1 -7.389 6.514 -0.405 1.00 0.00 C +ATOM 3 C ASN A 1 -6.780 5.255 -1.052 1.00 0.00 C +ATOM 4 O ASN A 1 -7.487 4.266 -1.200 1.00 0.00 O +ATOM 5 CB ASN A 1 -8.845 6.767 -0.857 1.00 0.00 C +ATOM 6 CG ASN A 1 -9.521 7.797 0.047 1.00 0.00 C +ATOM 7 OD1 ASN A 1 -8.922 8.257 1.009 1.00 0.00 O +ATOM 8 ND2 ASN A 1 -10.737 8.213 -0.242 1.00 0.00 N +ATOM 9 H1 ASN A 1 -5.686 7.665 -0.127 1.00 0.00 H +ATOM 10 H2 ASN A 1 -6.476 7.977 -1.550 1.00 0.00 H +ATOM 11 H3 ASN A 1 -7.086 8.512 -0.117 1.00 0.00 H +ATOM 12 HA ASN A 1 -7.439 6.298 0.664 1.00 0.00 H +ATOM 13 HB2 ASN A 1 -8.842 7.132 -1.866 1.00 0.00 H +ATOM 14 HB3 ASN A 1 -9.424 5.843 -0.797 1.00 0.00 H +ATOM 15 HD21 ASN A 1 -11.261 7.891 -1.039 1.00 0.00 H +ATOM 16 HD22 ASN A 1 -11.125 8.874 0.414 1.00 0.00 H +ATOM 17 N LEU A 2 -5.480 5.231 -1.392 1.00 0.00 N +ATOM 18 CA LEU A 2 -4.832 4.056 -2.001 1.00 0.00 C +ATOM 19 C LEU A 2 -4.184 3.091 -0.988 1.00 0.00 C +ATOM 20 O LEU A 2 -3.640 2.061 -1.389 1.00 0.00 O +ATOM 21 CB LEU A 2 -3.822 4.536 -3.062 1.00 0.00 C +ATOM 22 CG LEU A 2 -4.511 4.943 -4.385 1.00 0.00 C +ATOM 23 CD1 LEU A 2 -4.400 6.448 -4.640 1.00 0.00 C +ATOM 24 CD2 LEU A 2 -3.900 4.181 -5.563 1.00 0.00 C +ATOM 25 H LEU A 2 -4.873 6.022 -1.250 1.00 0.00 H +ATOM 26 HA LEU A 2 -5.585 3.455 -2.516 1.00 0.00 H +ATOM 27 HB2 LEU A 2 -3.291 5.384 -2.674 1.00 0.00 H +ATOM 28 HB3 LEU A 2 -3.120 3.726 -3.266 1.00 0.00 H +ATOM 29 HG LEU A 2 -5.571 4.692 -4.345 1.00 0.00 H +ATOM 30 HD11 LEU A 2 -4.890 6.998 -3.839 1.00 0.00 H +ATOM 31 HD12 LEU A 2 -3.352 6.744 -4.701 1.00 0.00 H +ATOM 32 HD13 LEU A 2 -4.890 6.694 -5.582 1.00 0.00 H +ATOM 33 HD21 LEU A 2 -2.824 4.351 -5.605 1.00 0.00 H +ATOM 34 HD22 LEU A 2 -4.093 3.114 -5.443 1.00 0.00 H +ATOM 35 HD23 LEU A 2 -4.353 4.513 -6.498 1.00 0.00 H +ATOM 36 N TYR A 3 -4.252 3.387 0.316 1.00 0.00 N +ATOM 37 CA TYR A 3 -3.584 2.609 1.367 1.00 0.00 C +ATOM 38 C TYR A 3 -4.003 1.131 1.375 1.00 0.00 C +ATOM 39 O TYR A 3 -3.167 0.257 1.584 1.00 0.00 O +ATOM 40 CB TYR A 3 -3.828 3.261 2.737 1.00 0.00 C +ATOM 41 CG TYR A 3 -2.625 3.147 3.649 1.00 0.00 C +ATOM 42 CD1 TYR A 3 -2.431 2.000 4.441 1.00 0.00 C +ATOM 43 CD2 TYR A 3 -1.668 4.180 3.663 1.00 0.00 C +ATOM 44 CE1 TYR A 3 -1.274 1.880 5.234 1.00 0.00 C +ATOM 45 CE2 TYR A 3 -0.512 4.070 4.456 1.00 0.00 C +ATOM 46 CZ TYR A 3 -0.306 2.910 5.235 1.00 0.00 C +ATOM 47 OH TYR A 3 0.828 2.769 5.969 1.00 0.00 O +ATOM 48 H TYR A 3 -4.725 4.233 0.586 1.00 0.00 H +ATOM 49 HA TYR A 3 -2.512 2.640 1.167 1.00 0.00 H +ATOM 50 HB2 TYR A 3 -4.053 4.300 2.590 1.00 0.00 H +ATOM 51 HB3 TYR A 3 -4.698 2.806 3.217 1.00 0.00 H +ATOM 52 HD1 TYR A 3 -3.165 1.208 4.426 1.00 0.00 H +ATOM 53 HD2 TYR A 3 -1.819 5.061 3.058 1.00 0.00 H +ATOM 54 HE1 TYR A 3 -1.103 1.003 5.839 1.00 0.00 H +ATOM 55 HE2 TYR A 3 0.213 4.873 4.463 1.00 0.00 H +ATOM 56 HH TYR A 3 1.448 3.481 5.798 1.00 0.00 H +ATOM 57 N ILE A 4 -5.279 0.849 1.085 1.00 0.00 N +ATOM 58 CA ILE A 4 -5.832 -0.507 0.951 1.00 0.00 C +ATOM 59 C ILE A 4 -5.162 -1.250 -0.218 1.00 0.00 C +ATOM 60 O ILE A 4 -4.774 -2.406 -0.080 1.00 0.00 O +ATOM 61 CB ILE A 4 -7.364 -0.433 0.749 1.00 0.00 C +ATOM 62 CG1 ILE A 4 -8.090 0.338 1.884 1.00 0.00 C +ATOM 63 CG2 ILE A 4 -7.975 -1.842 0.631 1.00 0.00 C +ATOM 64 CD1 ILE A 4 -9.163 1.282 1.326 1.00 0.00 C +ATOM 65 H ILE A 4 -5.896 1.633 0.934 1.00 0.00 H +ATOM 66 HA ILE A 4 -5.625 -1.065 1.865 1.00 0.00 H +ATOM 67 HB ILE A 4 -7.545 0.087 -0.194 1.00 0.00 H +ATOM 68 HG12 ILE A 4 -8.556 -0.369 2.543 1.00 0.00 H +ATOM 69 HG13 ILE A 4 -7.392 0.938 2.466 1.00 0.00 H +ATOM 70 HG21 ILE A 4 -7.611 -2.347 -0.263 1.00 0.00 H +ATOM 71 HG22 ILE A 4 -7.710 -2.438 1.506 1.00 0.00 H +ATOM 72 HG23 ILE A 4 -9.061 -1.773 0.565 1.00 0.00 H +ATOM 73 HD11 ILE A 4 -8.695 2.037 0.690 1.00 0.00 H +ATOM 74 HD12 ILE A 4 -9.891 0.720 0.741 1.00 0.00 H +ATOM 75 HD13 ILE A 4 -9.673 1.781 2.148 1.00 0.00 H +ATOM 76 N GLN A 5 -5.009 -0.575 -1.365 1.00 0.00 N +ATOM 77 CA GLN A 5 -4.335 -1.103 -2.553 1.00 0.00 C +ATOM 78 C GLN A 5 -2.863 -1.419 -2.249 1.00 0.00 C +ATOM 79 O GLN A 5 -2.395 -2.511 -2.553 1.00 0.00 O +ATOM 80 CB GLN A 5 -4.497 -0.107 -3.724 1.00 0.00 C +ATOM 81 CG GLN A 5 -4.929 -0.785 -5.036 1.00 0.00 C +ATOM 82 CD GLN A 5 -3.943 -1.843 -5.517 1.00 0.00 C +ATOM 83 OE1 GLN A 5 -4.193 -3.032 -5.373 1.00 0.00 O +ATOM 84 NE2 GLN A 5 -2.824 -1.457 -6.094 1.00 0.00 N +ATOM 85 H GLN A 5 -5.260 0.403 -1.368 1.00 0.00 H +ATOM 86 HA GLN A 5 -4.818 -2.043 -2.816 1.00 0.00 H +ATOM 87 HB2 GLN A 5 -5.239 0.620 -3.454 1.00 0.00 H +ATOM 88 HB3 GLN A 5 -3.566 0.435 -3.888 1.00 0.00 H +ATOM 89 HG2 GLN A 5 -5.882 -1.252 -4.881 1.00 0.00 H +ATOM 90 HG3 GLN A 5 -5.049 -0.026 -5.809 1.00 0.00 H +ATOM 91 HE21 GLN A 5 -2.586 -0.491 -6.238 1.00 0.00 H +ATOM 92 HE22 GLN A 5 -2.170 -2.206 -6.277 1.00 0.00 H +ATOM 93 N TRP A 6 -2.154 -0.497 -1.588 1.00 0.00 N +ATOM 94 CA TRP A 6 -0.771 -0.717 -1.152 1.00 0.00 C +ATOM 95 C TRP A 6 -0.632 -1.844 -0.111 1.00 0.00 C +ATOM 96 O TRP A 6 0.256 -2.687 -0.229 1.00 0.00 O +ATOM 97 CB TRP A 6 -0.212 0.604 -0.620 1.00 0.00 C +ATOM 98 CG TRP A 6 1.197 0.514 -0.129 1.00 0.00 C +ATOM 99 CD1 TRP A 6 2.296 0.452 -0.915 1.00 0.00 C +ATOM 100 CD2 TRP A 6 1.679 0.425 1.247 1.00 0.00 C +ATOM 101 NE1 TRP A 6 3.420 0.332 -0.121 1.00 0.00 N +ATOM 102 CE2 TRP A 6 3.101 0.324 1.215 1.00 0.00 C +ATOM 103 CE3 TRP A 6 1.066 0.422 2.519 1.00 0.00 C +ATOM 104 CZ2 TRP A 6 3.882 0.249 2.375 1.00 0.00 C +ATOM 105 CZ3 TRP A 6 1.839 0.334 3.694 1.00 0.00 C +ATOM 106 CH2 TRP A 6 3.243 0.260 3.625 1.00 0.00 C +ATOM 107 H TRP A 6 -2.607 0.391 -1.386 1.00 0.00 H +ATOM 108 HA TRP A 6 -0.178 -1.016 -2.020 1.00 0.00 H +ATOM 109 HB2 TRP A 6 -0.248 1.329 -1.411 1.00 0.00 H +ATOM 110 HB3 TRP A 6 -0.841 0.958 0.197 1.00 0.00 H +ATOM 111 HD1 TRP A 6 2.289 0.483 -1.998 1.00 0.00 H +ATOM 112 HE1 TRP A 6 4.387 0.296 -0.451 1.00 0.00 H +ATOM 113 HE3 TRP A 6 -0.010 0.498 2.586 1.00 0.00 H +ATOM 114 HZ2 TRP A 6 4.957 0.179 2.290 1.00 0.00 H +ATOM 115 HZ3 TRP A 6 1.352 0.341 4.659 1.00 0.00 H +ATOM 116 HH2 TRP A 6 3.829 0.212 4.531 1.00 0.00 H +ATOM 117 N LEU A 7 -1.520 -1.904 0.893 1.00 0.00 N +ATOM 118 CA LEU A 7 -1.537 -3.007 1.858 1.00 0.00 C +ATOM 119 C LEU A 7 -1.844 -4.359 1.198 1.00 0.00 C +ATOM 120 O LEU A 7 -1.228 -5.350 1.586 1.00 0.00 O +ATOM 121 CB LEU A 7 -2.520 -2.723 3.008 1.00 0.00 C +ATOM 122 CG LEU A 7 -2.010 -1.728 4.070 1.00 0.00 C +ATOM 123 CD1 LEU A 7 -3.122 -1.497 5.096 1.00 0.00 C +ATOM 124 CD2 LEU A 7 -0.775 -2.236 4.826 1.00 0.00 C +ATOM 125 H LEU A 7 -2.201 -1.155 0.992 1.00 0.00 H +ATOM 126 HA LEU A 7 -0.534 -3.107 2.271 1.00 0.00 H +ATOM 127 HB2 LEU A 7 -3.422 -2.325 2.584 1.00 0.00 H +ATOM 128 HB3 LEU A 7 -2.740 -3.665 3.514 1.00 0.00 H +ATOM 129 HG LEU A 7 -1.763 -0.780 3.597 1.00 0.00 H +ATOM 130 HD11 LEU A 7 -4.006 -1.098 4.599 1.00 0.00 H +ATOM 131 HD12 LEU A 7 -3.380 -2.437 5.585 1.00 0.00 H +ATOM 132 HD13 LEU A 7 -2.791 -0.787 5.854 1.00 0.00 H +ATOM 133 HD21 LEU A 7 -0.973 -3.222 5.249 1.00 0.00 H +ATOM 134 HD22 LEU A 7 0.080 -2.296 4.155 1.00 0.00 H +ATOM 135 HD23 LEU A 7 -0.521 -1.546 5.630 1.00 0.00 H +ATOM 136 N LYS A 8 -2.716 -4.413 0.176 1.00 0.00 N +ATOM 137 CA LYS A 8 -2.930 -5.631 -0.629 1.00 0.00 C +ATOM 138 C LYS A 8 -1.639 -6.169 -1.261 1.00 0.00 C +ATOM 139 O LYS A 8 -1.492 -7.384 -1.349 1.00 0.00 O +ATOM 140 CB LYS A 8 -3.989 -5.413 -1.725 1.00 0.00 C +ATOM 141 CG LYS A 8 -5.424 -5.638 -1.230 1.00 0.00 C +ATOM 142 CD LYS A 8 -6.411 -5.713 -2.404 1.00 0.00 C +ATOM 143 CE LYS A 8 -6.685 -4.341 -3.038 1.00 0.00 C +ATOM 144 NZ LYS A 8 -6.352 -4.311 -4.482 1.00 0.00 N +ATOM 145 H LYS A 8 -3.241 -3.572 -0.051 1.00 0.00 H +ATOM 146 HA LYS A 8 -3.274 -6.422 0.036 1.00 0.00 H +ATOM 147 HB2 LYS A 8 -3.906 -4.405 -2.084 1.00 0.00 H +ATOM 148 HB3 LYS A 8 -3.797 -6.130 -2.525 1.00 0.00 H +ATOM 149 HG2 LYS A 8 -5.464 -6.558 -0.680 1.00 0.00 H +ATOM 150 HG3 LYS A 8 -5.719 -4.846 -0.542 1.00 0.00 H +ATOM 151 HD2 LYS A 8 -6.003 -6.362 -3.154 1.00 0.00 H +ATOM 152 HD3 LYS A 8 -7.356 -6.108 -2.033 1.00 0.00 H +ATOM 153 HE2 LYS A 8 -7.726 -4.108 -2.919 1.00 0.00 H +ATOM 154 HE3 LYS A 8 -6.117 -3.577 -2.500 1.00 0.00 H +ATOM 155 HZ1 LYS A 8 -5.352 -4.135 -4.636 1.00 0.00 H +ATOM 156 HZ2 LYS A 8 -6.602 -5.176 -4.938 1.00 0.00 H +ATOM 157 HZ3 LYS A 8 -6.827 -3.549 -4.942 1.00 0.00 H +ATOM 158 N ASP A 9 -0.694 -5.301 -1.644 1.00 0.00 N +ATOM 159 CA ASP A 9 0.627 -5.715 -2.141 1.00 0.00 C +ATOM 160 C ASP A 9 1.545 -6.280 -1.027 1.00 0.00 C +ATOM 161 O ASP A 9 2.653 -6.733 -1.322 1.00 0.00 O +ATOM 162 CB ASP A 9 1.362 -4.545 -2.833 1.00 0.00 C +ATOM 163 CG ASP A 9 0.631 -3.826 -3.974 1.00 0.00 C +ATOM 164 OD1 ASP A 9 -0.157 -4.486 -4.688 1.00 0.00 O +ATOM 165 OD2 ASP A 9 0.959 -2.631 -4.185 1.00 0.00 O +ATOM 166 H ASP A 9 -0.905 -4.313 -1.586 1.00 0.00 H +ATOM 167 HA ASP A 9 0.482 -6.505 -2.880 1.00 0.00 H +ATOM 168 HB2 ASP A 9 1.582 -3.813 -2.080 1.00 0.00 H +ATOM 169 HB3 ASP A 9 2.279 -4.946 -3.266 1.00 0.00 H +ATOM 170 N GLY A 10 1.135 -6.232 0.250 1.00 0.00 N +ATOM 171 CA GLY A 10 1.917 -6.656 1.417 1.00 0.00 C +ATOM 172 C GLY A 10 2.414 -5.500 2.294 1.00 0.00 C +ATOM 173 O GLY A 10 3.054 -5.736 3.320 1.00 0.00 O +ATOM 174 H GLY A 10 0.200 -5.879 0.438 1.00 0.00 H +ATOM 175 HA2 GLY A 10 1.298 -7.304 2.035 1.00 0.00 H +ATOM 176 HA3 GLY A 10 2.784 -7.233 1.096 1.00 0.00 H +ATOM 177 N GLY A 11 2.142 -4.244 1.916 1.00 0.00 N +ATOM 178 CA GLY A 11 2.643 -3.083 2.643 1.00 0.00 C +ATOM 179 C GLY A 11 4.182 -3.056 2.660 1.00 0.00 C +ATOM 180 O GLY A 11 4.791 -3.197 1.594 1.00 0.00 O +ATOM 181 H GLY A 11 1.623 -4.089 1.059 1.00 0.00 H +ATOM 182 HA2 GLY A 11 2.286 -2.178 2.156 1.00 0.00 H +ATOM 183 HA3 GLY A 11 2.244 -3.115 3.654 1.00 0.00 H +ATOM 184 N PRO A 12 4.842 -2.900 3.832 1.00 0.00 N +ATOM 185 CA PRO A 12 6.302 -2.829 3.917 1.00 0.00 C +ATOM 186 C PRO A 12 7.030 -4.020 3.276 1.00 0.00 C +ATOM 187 O PRO A 12 8.132 -3.843 2.757 1.00 0.00 O +ATOM 188 CB PRO A 12 6.642 -2.717 5.411 1.00 0.00 C +ATOM 189 CG PRO A 12 5.352 -2.223 6.059 1.00 0.00 C +ATOM 190 CD PRO A 12 4.260 -2.809 5.166 1.00 0.00 C +ATOM 191 HA PRO A 12 6.628 -1.916 3.416 1.00 0.00 H +ATOM 192 HB2 PRO A 12 6.925 -3.673 5.809 1.00 0.00 H +ATOM 193 HB3 PRO A 12 7.463 -2.016 5.581 1.00 0.00 H +ATOM 194 HG2 PRO A 12 5.263 -2.588 7.064 1.00 0.00 H +ATOM 195 HG3 PRO A 12 5.314 -1.133 6.017 1.00 0.00 H +ATOM 196 HD2 PRO A 12 3.974 -3.782 5.516 1.00 0.00 H +ATOM 197 HD3 PRO A 12 3.381 -2.165 5.191 1.00 0.00 H +ATOM 198 N SER A 13 6.424 -5.220 3.257 1.00 0.00 N +ATOM 199 CA SER A 13 7.055 -6.413 2.675 1.00 0.00 C +ATOM 200 C SER A 13 7.230 -6.327 1.155 1.00 0.00 C +ATOM 201 O SER A 13 8.109 -6.992 0.615 1.00 0.00 O +ATOM 202 CB SER A 13 6.276 -7.683 3.042 1.00 0.00 C +ATOM 203 OG SER A 13 5.083 -7.810 2.296 1.00 0.00 O +ATOM 204 H SER A 13 5.479 -5.307 3.613 1.00 0.00 H +ATOM 205 HA SER A 13 8.051 -6.506 3.109 1.00 0.00 H +ATOM 206 HB2 SER A 13 6.897 -8.537 2.850 1.00 0.00 H +ATOM 207 HB3 SER A 13 6.031 -7.660 4.105 1.00 0.00 H +ATOM 208 HG SER A 13 5.284 -8.181 1.431 1.00 0.00 H +ATOM 209 N SER A 14 6.424 -5.506 0.464 1.00 0.00 N +ATOM 210 CA SER A 14 6.562 -5.254 -0.977 1.00 0.00 C +ATOM 211 C SER A 14 7.683 -4.260 -1.316 1.00 0.00 C +ATOM 212 O SER A 14 7.958 -4.028 -2.492 1.00 0.00 O +ATOM 213 CB SER A 14 5.232 -4.754 -1.561 1.00 0.00 C +ATOM 214 OG SER A 14 4.689 -5.759 -2.390 1.00 0.00 O +ATOM 215 H SER A 14 5.730 -4.974 0.980 1.00 0.00 H +ATOM 216 HA SER A 14 6.816 -6.193 -1.471 1.00 0.00 H +ATOM 217 HB2 SER A 14 4.548 -4.536 -0.764 1.00 0.00 H +ATOM 218 HB3 SER A 14 5.400 -3.866 -2.170 1.00 0.00 H +ATOM 219 HG SER A 14 3.898 -6.171 -1.941 1.00 0.00 H +ATOM 220 N GLY A 15 8.320 -3.632 -0.318 1.00 0.00 N +ATOM 221 CA GLY A 15 9.452 -2.715 -0.493 1.00 0.00 C +ATOM 222 C GLY A 15 9.088 -1.324 -1.031 1.00 0.00 C +ATOM 223 O GLY A 15 9.745 -0.349 -0.674 1.00 0.00 O +ATOM 224 H GLY A 15 8.043 -3.844 0.636 1.00 0.00 H +ATOM 225 HA2 GLY A 15 9.948 -2.591 0.468 1.00 0.00 H +ATOM 226 HA3 GLY A 15 10.165 -3.167 -1.183 1.00 0.00 H +ATOM 227 N ARG A 16 8.043 -1.206 -1.866 1.00 0.00 N +ATOM 228 CA ARG A 16 7.509 0.078 -2.349 1.00 0.00 C +ATOM 229 C ARG A 16 6.942 0.905 -1.177 1.00 0.00 C +ATOM 230 O ARG A 16 6.183 0.348 -0.380 1.00 0.00 O +ATOM 231 CB ARG A 16 6.426 -0.188 -3.413 1.00 0.00 C +ATOM 232 CG ARG A 16 5.953 1.107 -4.102 1.00 0.00 C +ATOM 233 CD ARG A 16 4.797 0.884 -5.083 1.00 0.00 C +ATOM 234 NE ARG A 16 5.176 -0.019 -6.186 1.00 0.00 N +ATOM 235 CZ ARG A 16 4.649 -1.200 -6.493 1.00 0.00 C +ATOM 236 NH1 ARG A 16 3.626 -1.720 -5.848 1.00 0.00 N +ATOM 237 NH2 ARG A 16 5.165 -1.891 -7.482 1.00 0.00 N +ATOM 238 H ARG A 16 7.615 -2.078 -2.159 1.00 0.00 H +ATOM 239 HA ARG A 16 8.337 0.615 -2.807 1.00 0.00 H +ATOM 240 HB2 ARG A 16 6.828 -0.848 -4.157 1.00 0.00 H +ATOM 241 HB3 ARG A 16 5.573 -0.680 -2.944 1.00 0.00 H +ATOM 242 HG2 ARG A 16 5.630 1.797 -3.346 1.00 0.00 H +ATOM 243 HG3 ARG A 16 6.793 1.555 -4.637 1.00 0.00 H +ATOM 244 HD2 ARG A 16 3.970 0.454 -4.552 1.00 0.00 H +ATOM 245 HD3 ARG A 16 4.515 1.851 -5.503 1.00 0.00 H +ATOM 246 HE ARG A 16 5.943 0.289 -6.761 1.00 0.00 H +ATOM 247 HH11 ARG A 16 3.180 -1.223 -5.093 1.00 0.00 H +ATOM 248 HH12 ARG A 16 3.231 -2.612 -6.088 1.00 0.00 H +ATOM 249 HH21 ARG A 16 5.951 -1.541 -8.001 1.00 0.00 H +ATOM 250 HH22 ARG A 16 4.778 -2.789 -7.706 1.00 0.00 H +ATOM 251 N PRO A 17 7.224 2.222 -1.082 1.00 0.00 N +ATOM 252 CA PRO A 17 6.670 3.081 -0.030 1.00 0.00 C +ATOM 253 C PRO A 17 5.138 3.240 -0.131 1.00 0.00 C +ATOM 254 O PRO A 17 4.571 3.021 -1.206 1.00 0.00 O +ATOM 255 CB PRO A 17 7.384 4.430 -0.195 1.00 0.00 C +ATOM 256 CG PRO A 17 7.755 4.460 -1.675 1.00 0.00 C +ATOM 257 CD PRO A 17 8.084 2.998 -1.964 1.00 0.00 C +ATOM 258 HA PRO A 17 6.923 2.656 0.942 1.00 0.00 H +ATOM 259 HB2 PRO A 17 6.729 5.243 0.053 1.00 0.00 H +ATOM 260 HB3 PRO A 17 8.293 4.437 0.408 1.00 0.00 H +ATOM 261 HG2 PRO A 17 6.932 4.798 -2.274 1.00 0.00 H +ATOM 262 HG3 PRO A 17 8.607 5.114 -1.870 1.00 0.00 H +ATOM 263 HD2 PRO A 17 7.877 2.763 -2.990 1.00 0.00 H +ATOM 264 HD3 PRO A 17 9.127 2.798 -1.720 1.00 0.00 H +ATOM 265 N PRO A 18 4.461 3.639 0.965 1.00 0.00 N +ATOM 266 CA PRO A 18 3.015 3.863 0.981 1.00 0.00 C +ATOM 267 C PRO A 18 2.598 5.121 0.193 1.00 0.00 C +ATOM 268 O PRO A 18 3.428 5.993 -0.068 1.00 0.00 O +ATOM 269 CB PRO A 18 2.645 3.981 2.465 1.00 0.00 C +ATOM 270 CG PRO A 18 3.916 4.525 3.112 1.00 0.00 C +ATOM 271 CD PRO A 18 5.026 3.878 2.287 1.00 0.00 C +ATOM 272 HA PRO A 18 2.518 2.995 0.551 1.00 0.00 H +ATOM 273 HB2 PRO A 18 1.825 4.659 2.602 1.00 0.00 H +ATOM 274 HB3 PRO A 18 2.430 2.993 2.869 1.00 0.00 H +ATOM 275 HG2 PRO A 18 3.957 5.595 3.042 1.00 0.00 H +ATOM 276 HG3 PRO A 18 3.983 4.249 4.165 1.00 0.00 H +ATOM 277 HD2 PRO A 18 5.870 4.536 2.218 1.00 0.00 H +ATOM 278 HD3 PRO A 18 5.309 2.925 2.736 1.00 0.00 H +ATOM 279 N PRO A 19 1.304 5.247 -0.167 1.00 0.00 N +ATOM 280 CA PRO A 19 0.774 6.401 -0.902 1.00 0.00 C +ATOM 281 C PRO A 19 0.569 7.659 -0.043 1.00 0.00 C +ATOM 282 O PRO A 19 0.515 8.755 -0.597 1.00 0.00 O +ATOM 283 CB PRO A 19 -0.568 5.927 -1.467 1.00 0.00 C +ATOM 284 CG PRO A 19 -1.027 4.877 -0.459 1.00 0.00 C +ATOM 285 CD PRO A 19 0.279 4.224 -0.018 1.00 0.00 C +ATOM 286 HA PRO A 19 1.443 6.655 -1.727 1.00 0.00 H +ATOM 287 HB2 PRO A 19 -1.269 6.738 -1.523 1.00 0.00 H +ATOM 288 HB3 PRO A 19 -0.411 5.458 -2.438 1.00 0.00 H +ATOM 289 HG2 PRO A 19 -1.528 5.334 0.372 1.00 0.00 H +ATOM 290 HG3 PRO A 19 -1.691 4.148 -0.918 1.00 0.00 H +ATOM 291 HD2 PRO A 19 0.212 3.908 1.005 1.00 0.00 H +ATOM 292 HD3 PRO A 19 0.512 3.395 -0.684 1.00 0.00 H +ATOM 293 N SER A 20 0.445 7.509 1.283 1.00 0.00 N +ATOM 294 CA SER A 20 0.349 8.586 2.279 1.00 0.00 C +ATOM 295 C SER A 20 1.387 8.402 3.380 1.00 0.00 C +ATOM 296 O SER A 20 1.887 9.446 3.847 1.00 0.00 O +ATOM 297 CB SER A 20 -1.064 8.699 2.867 1.00 0.00 C +ATOM 298 OG SER A 20 -1.468 7.515 3.527 1.00 0.00 O +ATOM 299 OXT SER A 20 1.609 7.229 3.761 1.00 0.00 O +ATOM 300 H SER A 20 0.533 6.584 1.677 1.00 0.00 H +ATOM 301 HA SER A 20 0.581 9.535 1.797 1.00 0.00 H +ATOM 302 HB2 SER A 20 -1.081 9.509 3.570 1.00 0.00 H +ATOM 303 HB3 SER A 20 -1.771 8.923 2.068 1.00 0.00 H +ATOM 304 HG SER A 20 -0.877 7.386 4.279 1.00 0.00 H +TER 305 SER A 20 +ENDMDL +MODEL 4 +ATOM 1 N ASN A 1 -7.996 5.298 -0.779 1.00 0.00 N +ATOM 2 CA ASN A 1 -7.990 4.067 -1.611 1.00 0.00 C +ATOM 3 C ASN A 1 -6.595 3.515 -1.890 1.00 0.00 C +ATOM 4 O ASN A 1 -6.409 2.326 -1.667 1.00 0.00 O +ATOM 5 CB ASN A 1 -8.817 4.236 -2.891 1.00 0.00 C +ATOM 6 CG ASN A 1 -10.260 4.485 -2.482 1.00 0.00 C +ATOM 7 OD1 ASN A 1 -10.595 5.590 -2.090 1.00 0.00 O +ATOM 8 ND2 ASN A 1 -11.097 3.465 -2.420 1.00 0.00 N +ATOM 9 H1 ASN A 1 -7.499 5.145 0.089 1.00 0.00 H +ATOM 10 H2 ASN A 1 -7.580 6.071 -1.279 1.00 0.00 H +ATOM 11 H3 ASN A 1 -8.957 5.549 -0.571 1.00 0.00 H +ATOM 12 HA ASN A 1 -8.483 3.285 -1.032 1.00 0.00 H +ATOM 13 HB2 ASN A 1 -8.449 5.070 -3.456 1.00 0.00 H +ATOM 14 HB3 ASN A 1 -8.756 3.334 -3.502 1.00 0.00 H +ATOM 15 HD21 ASN A 1 -10.855 2.524 -2.688 1.00 0.00 H +ATOM 16 HD22 ASN A 1 -12.028 3.700 -2.110 1.00 0.00 H +ATOM 17 N LEU A 2 -5.616 4.322 -2.330 1.00 0.00 N +ATOM 18 CA LEU A 2 -4.255 3.853 -2.649 1.00 0.00 C +ATOM 19 C LEU A 2 -3.609 2.984 -1.550 1.00 0.00 C +ATOM 20 O LEU A 2 -2.969 1.976 -1.846 1.00 0.00 O +ATOM 21 CB LEU A 2 -3.364 5.074 -2.976 1.00 0.00 C +ATOM 22 CG LEU A 2 -3.035 5.287 -4.464 1.00 0.00 C +ATOM 23 CD1 LEU A 2 -2.298 4.086 -5.067 1.00 0.00 C +ATOM 24 CD2 LEU A 2 -4.283 5.609 -5.288 1.00 0.00 C +ATOM 25 H LEU A 2 -5.808 5.284 -2.567 1.00 0.00 H +ATOM 26 HA LEU A 2 -4.324 3.212 -3.525 1.00 0.00 H +ATOM 27 HB2 LEU A 2 -3.868 5.953 -2.622 1.00 0.00 H +ATOM 28 HB3 LEU A 2 -2.413 4.965 -2.461 1.00 0.00 H +ATOM 29 HG LEU A 2 -2.366 6.146 -4.524 1.00 0.00 H +ATOM 30 HD11 LEU A 2 -1.513 3.750 -4.388 1.00 0.00 H +ATOM 31 HD12 LEU A 2 -2.985 3.262 -5.255 1.00 0.00 H +ATOM 32 HD13 LEU A 2 -1.840 4.380 -6.010 1.00 0.00 H +ATOM 33 HD21 LEU A 2 -4.988 4.779 -5.260 1.00 0.00 H +ATOM 34 HD22 LEU A 2 -4.758 6.509 -4.897 1.00 0.00 H +ATOM 35 HD23 LEU A 2 -3.993 5.793 -6.323 1.00 0.00 H +ATOM 36 N TYR A 3 -3.829 3.342 -0.280 1.00 0.00 N +ATOM 37 CA TYR A 3 -3.352 2.587 0.881 1.00 0.00 C +ATOM 38 C TYR A 3 -3.885 1.142 0.933 1.00 0.00 C +ATOM 39 O TYR A 3 -3.182 0.255 1.410 1.00 0.00 O +ATOM 40 CB TYR A 3 -3.714 3.350 2.166 1.00 0.00 C +ATOM 41 CG TYR A 3 -2.571 3.426 3.153 1.00 0.00 C +ATOM 42 CD1 TYR A 3 -2.238 2.307 3.939 1.00 0.00 C +ATOM 43 CD2 TYR A 3 -1.826 4.614 3.277 1.00 0.00 C +ATOM 44 CE1 TYR A 3 -1.172 2.377 4.854 1.00 0.00 C +ATOM 45 CE2 TYR A 3 -0.758 4.692 4.190 1.00 0.00 C +ATOM 46 CZ TYR A 3 -0.434 3.573 4.988 1.00 0.00 C +ATOM 47 OH TYR A 3 0.564 3.651 5.909 1.00 0.00 O +ATOM 48 H TYR A 3 -4.312 4.211 -0.115 1.00 0.00 H +ATOM 49 HA TYR A 3 -2.266 2.531 0.815 1.00 0.00 H +ATOM 50 HB2 TYR A 3 -4.003 4.349 1.900 1.00 0.00 H +ATOM 51 HB3 TYR A 3 -4.571 2.877 2.649 1.00 0.00 H +ATOM 52 HD1 TYR A 3 -2.810 1.398 3.838 1.00 0.00 H +ATOM 53 HD2 TYR A 3 -2.070 5.479 2.676 1.00 0.00 H +ATOM 54 HE1 TYR A 3 -0.916 1.531 5.472 1.00 0.00 H +ATOM 55 HE2 TYR A 3 -0.198 5.613 4.266 1.00 0.00 H +ATOM 56 HH TYR A 3 0.792 4.562 6.104 1.00 0.00 H +ATOM 57 N ILE A 4 -5.099 0.891 0.414 1.00 0.00 N +ATOM 58 CA ILE A 4 -5.705 -0.444 0.348 1.00 0.00 C +ATOM 59 C ILE A 4 -4.882 -1.332 -0.589 1.00 0.00 C +ATOM 60 O ILE A 4 -4.466 -2.411 -0.181 1.00 0.00 O +ATOM 61 CB ILE A 4 -7.191 -0.380 -0.086 1.00 0.00 C +ATOM 62 CG1 ILE A 4 -8.038 0.622 0.737 1.00 0.00 C +ATOM 63 CG2 ILE A 4 -7.836 -1.778 -0.048 1.00 0.00 C +ATOM 64 CD1 ILE A 4 -8.051 0.390 2.254 1.00 0.00 C +ATOM 65 H ILE A 4 -5.574 1.642 -0.074 1.00 0.00 H +ATOM 66 HA ILE A 4 -5.657 -0.892 1.341 1.00 0.00 H +ATOM 67 HB ILE A 4 -7.230 -0.049 -1.125 1.00 0.00 H +ATOM 68 HG12 ILE A 4 -7.652 1.607 0.557 1.00 0.00 H +ATOM 69 HG13 ILE A 4 -9.066 0.590 0.375 1.00 0.00 H +ATOM 70 HG21 ILE A 4 -7.351 -2.438 -0.767 1.00 0.00 H +ATOM 71 HG22 ILE A 4 -7.744 -2.214 0.948 1.00 0.00 H +ATOM 72 HG23 ILE A 4 -8.891 -1.708 -0.312 1.00 0.00 H +ATOM 73 HD11 ILE A 4 -8.463 -0.592 2.485 1.00 0.00 H +ATOM 74 HD12 ILE A 4 -7.043 0.470 2.659 1.00 0.00 H +ATOM 75 HD13 ILE A 4 -8.674 1.150 2.725 1.00 0.00 H +ATOM 76 N GLN A 5 -4.600 -0.857 -1.811 1.00 0.00 N +ATOM 77 CA GLN A 5 -3.712 -1.519 -2.775 1.00 0.00 C +ATOM 78 C GLN A 5 -2.314 -1.759 -2.183 1.00 0.00 C +ATOM 79 O GLN A 5 -1.803 -2.878 -2.255 1.00 0.00 O +ATOM 80 CB GLN A 5 -3.634 -0.674 -4.062 1.00 0.00 C +ATOM 81 CG GLN A 5 -4.792 -0.953 -5.031 1.00 0.00 C +ATOM 82 CD GLN A 5 -4.542 -2.214 -5.853 1.00 0.00 C +ATOM 83 OE1 GLN A 5 -4.848 -3.320 -5.436 1.00 0.00 O +ATOM 84 NE2 GLN A 5 -3.968 -2.093 -7.036 1.00 0.00 N +ATOM 85 H GLN A 5 -4.948 0.063 -2.038 1.00 0.00 H +ATOM 86 HA GLN A 5 -4.122 -2.500 -3.019 1.00 0.00 H +ATOM 87 HB2 GLN A 5 -3.656 0.364 -3.792 1.00 0.00 H +ATOM 88 HB3 GLN A 5 -2.694 -0.880 -4.579 1.00 0.00 H +ATOM 89 HG2 GLN A 5 -5.696 -1.078 -4.467 1.00 0.00 H +ATOM 90 HG3 GLN A 5 -4.898 -0.106 -5.710 1.00 0.00 H +ATOM 91 HE21 GLN A 5 -3.693 -1.205 -7.419 1.00 0.00 H +ATOM 92 HE22 GLN A 5 -3.810 -2.965 -7.512 1.00 0.00 H +ATOM 93 N TRP A 6 -1.713 -0.734 -1.561 1.00 0.00 N +ATOM 94 CA TRP A 6 -0.400 -0.841 -0.917 1.00 0.00 C +ATOM 95 C TRP A 6 -0.353 -1.931 0.171 1.00 0.00 C +ATOM 96 O TRP A 6 0.567 -2.757 0.175 1.00 0.00 O +ATOM 97 CB TRP A 6 0.005 0.531 -0.361 1.00 0.00 C +ATOM 98 CG TRP A 6 1.372 0.565 0.247 1.00 0.00 C +ATOM 99 CD1 TRP A 6 2.532 0.625 -0.442 1.00 0.00 C +ATOM 100 CD2 TRP A 6 1.747 0.483 1.657 1.00 0.00 C +ATOM 101 NE1 TRP A 6 3.594 0.565 0.438 1.00 0.00 N +ATOM 102 CE2 TRP A 6 3.169 0.480 1.743 1.00 0.00 C +ATOM 103 CE3 TRP A 6 1.032 0.393 2.872 1.00 0.00 C +ATOM 104 CZ2 TRP A 6 3.853 0.395 2.965 1.00 0.00 C +ATOM 105 CZ3 TRP A 6 1.707 0.293 4.104 1.00 0.00 C +ATOM 106 CH2 TRP A 6 3.112 0.296 4.154 1.00 0.00 C +ATOM 107 H TRP A 6 -2.186 0.167 -1.566 1.00 0.00 H +ATOM 108 HA TRP A 6 0.329 -1.126 -1.676 1.00 0.00 H +ATOM 109 HB2 TRP A 6 -0.024 1.242 -1.164 1.00 0.00 H +ATOM 110 HB3 TRP A 6 -0.716 0.838 0.395 1.00 0.00 H +ATOM 111 HD1 TRP A 6 2.616 0.684 -1.518 1.00 0.00 H +ATOM 112 HE1 TRP A 6 4.579 0.565 0.164 1.00 0.00 H +ATOM 113 HE3 TRP A 6 -0.046 0.398 2.841 1.00 0.00 H +ATOM 114 HZ2 TRP A 6 4.933 0.389 2.975 1.00 0.00 H +ATOM 115 HZ3 TRP A 6 1.142 0.218 5.022 1.00 0.00 H +ATOM 116 HH2 TRP A 6 3.621 0.223 5.106 1.00 0.00 H +ATOM 117 N LEU A 7 -1.360 -1.961 1.060 1.00 0.00 N +ATOM 118 CA LEU A 7 -1.529 -3.019 2.059 1.00 0.00 C +ATOM 119 C LEU A 7 -1.819 -4.386 1.425 1.00 0.00 C +ATOM 120 O LEU A 7 -1.263 -5.376 1.896 1.00 0.00 O +ATOM 121 CB LEU A 7 -2.645 -2.652 3.058 1.00 0.00 C +ATOM 122 CG LEU A 7 -2.265 -1.546 4.060 1.00 0.00 C +ATOM 123 CD1 LEU A 7 -3.504 -1.129 4.860 1.00 0.00 C +ATOM 124 CD2 LEU A 7 -1.186 -1.989 5.054 1.00 0.00 C +ATOM 125 H LEU A 7 -2.062 -1.224 1.020 1.00 0.00 H +ATOM 126 HA LEU A 7 -0.594 -3.131 2.603 1.00 0.00 H +ATOM 127 HB2 LEU A 7 -3.499 -2.320 2.500 1.00 0.00 H +ATOM 128 HB3 LEU A 7 -2.915 -3.543 3.627 1.00 0.00 H +ATOM 129 HG LEU A 7 -1.898 -0.680 3.518 1.00 0.00 H +ATOM 130 HD11 LEU A 7 -4.273 -0.762 4.181 1.00 0.00 H +ATOM 131 HD12 LEU A 7 -3.892 -1.977 5.422 1.00 0.00 H +ATOM 132 HD13 LEU A 7 -3.243 -0.331 5.557 1.00 0.00 H +ATOM 133 HD21 LEU A 7 -1.516 -2.875 5.597 1.00 0.00 H +ATOM 134 HD22 LEU A 7 -0.258 -2.212 4.531 1.00 0.00 H +ATOM 135 HD23 LEU A 7 -0.990 -1.188 5.767 1.00 0.00 H +ATOM 136 N LYS A 8 -2.636 -4.457 0.360 1.00 0.00 N +ATOM 137 CA LYS A 8 -3.000 -5.710 -0.323 1.00 0.00 C +ATOM 138 C LYS A 8 -1.774 -6.506 -0.772 1.00 0.00 C +ATOM 139 O LYS A 8 -1.764 -7.728 -0.650 1.00 0.00 O +ATOM 140 CB LYS A 8 -3.907 -5.437 -1.541 1.00 0.00 C +ATOM 141 CG LYS A 8 -4.842 -6.624 -1.830 1.00 0.00 C +ATOM 142 CD LYS A 8 -6.265 -6.337 -1.328 1.00 0.00 C +ATOM 143 CE LYS A 8 -7.114 -7.612 -1.287 1.00 0.00 C +ATOM 144 NZ LYS A 8 -6.875 -8.381 -0.042 1.00 0.00 N +ATOM 145 H LYS A 8 -3.089 -3.595 0.056 1.00 0.00 H +ATOM 146 HA LYS A 8 -3.534 -6.330 0.396 1.00 0.00 H +ATOM 147 HB2 LYS A 8 -4.501 -4.566 -1.344 1.00 0.00 H +ATOM 148 HB3 LYS A 8 -3.287 -5.248 -2.418 1.00 0.00 H +ATOM 149 HG2 LYS A 8 -4.871 -6.798 -2.888 1.00 0.00 H +ATOM 150 HG3 LYS A 8 -4.454 -7.529 -1.364 1.00 0.00 H +ATOM 151 HD2 LYS A 8 -6.209 -5.923 -0.340 1.00 0.00 H +ATOM 152 HD3 LYS A 8 -6.730 -5.625 -2.013 1.00 0.00 H +ATOM 153 HE2 LYS A 8 -8.151 -7.343 -1.337 1.00 0.00 H +ATOM 154 HE3 LYS A 8 -6.877 -8.220 -2.164 1.00 0.00 H +ATOM 155 HZ1 LYS A 8 -5.889 -8.591 0.053 1.00 0.00 H +ATOM 156 HZ2 LYS A 8 -7.168 -7.840 0.762 1.00 0.00 H +ATOM 157 HZ3 LYS A 8 -7.394 -9.248 -0.055 1.00 0.00 H +ATOM 158 N ASP A 9 -0.756 -5.802 -1.272 1.00 0.00 N +ATOM 159 CA ASP A 9 0.519 -6.369 -1.719 1.00 0.00 C +ATOM 160 C ASP A 9 1.466 -6.750 -0.552 1.00 0.00 C +ATOM 161 O ASP A 9 2.432 -7.481 -0.764 1.00 0.00 O +ATOM 162 CB ASP A 9 1.147 -5.356 -2.691 1.00 0.00 C +ATOM 163 CG ASP A 9 2.157 -5.999 -3.643 1.00 0.00 C +ATOM 164 OD1 ASP A 9 1.687 -6.708 -4.559 1.00 0.00 O +ATOM 165 OD2 ASP A 9 3.367 -5.733 -3.478 1.00 0.00 O +ATOM 166 H ASP A 9 -0.906 -4.806 -1.394 1.00 0.00 H +ATOM 167 HA ASP A 9 0.309 -7.281 -2.280 1.00 0.00 H +ATOM 168 HB2 ASP A 9 0.365 -4.908 -3.272 1.00 0.00 H +ATOM 169 HB3 ASP A 9 1.602 -4.539 -2.136 1.00 0.00 H +ATOM 170 N GLY A 10 1.166 -6.322 0.686 1.00 0.00 N +ATOM 171 CA GLY A 10 1.940 -6.628 1.899 1.00 0.00 C +ATOM 172 C GLY A 10 2.455 -5.411 2.687 1.00 0.00 C +ATOM 173 O GLY A 10 3.258 -5.576 3.605 1.00 0.00 O +ATOM 174 H GLY A 10 0.283 -5.838 0.808 1.00 0.00 H +ATOM 175 HA2 GLY A 10 1.308 -7.208 2.569 1.00 0.00 H +ATOM 176 HA3 GLY A 10 2.799 -7.243 1.641 1.00 0.00 H +ATOM 177 N GLY A 11 2.025 -4.190 2.349 1.00 0.00 N +ATOM 178 CA GLY A 11 2.501 -2.933 2.929 1.00 0.00 C +ATOM 179 C GLY A 11 4.035 -2.809 2.947 1.00 0.00 C +ATOM 180 O GLY A 11 4.636 -2.640 1.883 1.00 0.00 O +ATOM 181 H GLY A 11 1.426 -4.116 1.535 1.00 0.00 H +ATOM 182 HA2 GLY A 11 2.113 -2.118 2.323 1.00 0.00 H +ATOM 183 HA3 GLY A 11 2.088 -2.828 3.930 1.00 0.00 H +ATOM 184 N PRO A 12 4.714 -2.887 4.112 1.00 0.00 N +ATOM 185 CA PRO A 12 6.177 -2.830 4.177 1.00 0.00 C +ATOM 186 C PRO A 12 6.894 -3.885 3.322 1.00 0.00 C +ATOM 187 O PRO A 12 8.009 -3.632 2.870 1.00 0.00 O +ATOM 188 CB PRO A 12 6.543 -2.996 5.656 1.00 0.00 C +ATOM 189 CG PRO A 12 5.275 -2.581 6.397 1.00 0.00 C +ATOM 190 CD PRO A 12 4.158 -3.015 5.451 1.00 0.00 C +ATOM 191 HA PRO A 12 6.493 -1.842 3.843 1.00 0.00 H +ATOM 192 HB2 PRO A 12 6.796 -4.015 5.874 1.00 0.00 H +ATOM 193 HB3 PRO A 12 7.390 -2.365 5.930 1.00 0.00 H +ATOM 194 HG2 PRO A 12 5.198 -3.086 7.340 1.00 0.00 H +ATOM 195 HG3 PRO A 12 5.255 -1.495 6.510 1.00 0.00 H +ATOM 196 HD2 PRO A 12 3.876 -4.032 5.645 1.00 0.00 H +ATOM 197 HD3 PRO A 12 3.286 -2.377 5.597 1.00 0.00 H +ATOM 198 N SER A 13 6.272 -5.048 3.067 1.00 0.00 N +ATOM 199 CA SER A 13 6.859 -6.106 2.234 1.00 0.00 C +ATOM 200 C SER A 13 6.522 -5.983 0.737 1.00 0.00 C +ATOM 201 O SER A 13 6.868 -6.883 -0.022 1.00 0.00 O +ATOM 202 CB SER A 13 6.517 -7.490 2.809 1.00 0.00 C +ATOM 203 OG SER A 13 5.152 -7.809 2.665 1.00 0.00 O +ATOM 204 H SER A 13 5.336 -5.211 3.432 1.00 0.00 H +ATOM 205 HA SER A 13 7.945 -6.021 2.301 1.00 0.00 H +ATOM 206 HB2 SER A 13 7.100 -8.230 2.296 1.00 0.00 H +ATOM 207 HB3 SER A 13 6.776 -7.504 3.869 1.00 0.00 H +ATOM 208 HG SER A 13 4.960 -7.945 1.731 1.00 0.00 H +ATOM 209 N SER A 14 5.879 -4.888 0.300 1.00 0.00 N +ATOM 210 CA SER A 14 5.483 -4.641 -1.100 1.00 0.00 C +ATOM 211 C SER A 14 6.594 -4.035 -1.979 1.00 0.00 C +ATOM 212 O SER A 14 6.388 -3.818 -3.171 1.00 0.00 O +ATOM 213 CB SER A 14 4.291 -3.674 -1.143 1.00 0.00 C +ATOM 214 OG SER A 14 3.244 -4.095 -0.294 1.00 0.00 O +ATOM 215 H SER A 14 5.551 -4.209 0.982 1.00 0.00 H +ATOM 216 HA SER A 14 5.168 -5.582 -1.554 1.00 0.00 H +ATOM 217 HB2 SER A 14 4.621 -2.702 -0.832 1.00 0.00 H +ATOM 218 HB3 SER A 14 3.920 -3.612 -2.167 1.00 0.00 H +ATOM 219 HG SER A 14 2.497 -3.486 -0.373 1.00 0.00 H +ATOM 220 N GLY A 15 7.760 -3.685 -1.413 1.00 0.00 N +ATOM 221 CA GLY A 15 8.865 -3.074 -2.168 1.00 0.00 C +ATOM 222 C GLY A 15 8.636 -1.615 -2.597 1.00 0.00 C +ATOM 223 O GLY A 15 9.329 -1.131 -3.490 1.00 0.00 O +ATOM 224 H GLY A 15 7.882 -3.900 -0.435 1.00 0.00 H +ATOM 225 HA2 GLY A 15 9.772 -3.108 -1.566 1.00 0.00 H +ATOM 226 HA3 GLY A 15 9.044 -3.662 -3.070 1.00 0.00 H +ATOM 227 N ARG A 16 7.674 -0.910 -1.982 1.00 0.00 N +ATOM 228 CA ARG A 16 7.291 0.476 -2.303 1.00 0.00 C +ATOM 229 C ARG A 16 6.926 1.243 -1.019 1.00 0.00 C +ATOM 230 O ARG A 16 6.299 0.641 -0.143 1.00 0.00 O +ATOM 231 CB ARG A 16 6.095 0.409 -3.275 1.00 0.00 C +ATOM 232 CG ARG A 16 5.718 1.773 -3.872 1.00 0.00 C +ATOM 233 CD ARG A 16 4.496 1.668 -4.787 1.00 0.00 C +ATOM 234 NE ARG A 16 4.170 2.979 -5.381 1.00 0.00 N +ATOM 235 CZ ARG A 16 4.620 3.482 -6.525 1.00 0.00 C +ATOM 236 NH1 ARG A 16 5.433 2.811 -7.310 1.00 0.00 N +ATOM 237 NH2 ARG A 16 4.260 4.687 -6.902 1.00 0.00 N +ATOM 238 H ARG A 16 7.165 -1.374 -1.242 1.00 0.00 H +ATOM 239 HA ARG A 16 8.134 0.962 -2.796 1.00 0.00 H +ATOM 240 HB2 ARG A 16 6.346 -0.256 -4.078 1.00 0.00 H +ATOM 241 HB3 ARG A 16 5.232 -0.006 -2.753 1.00 0.00 H +ATOM 242 HG2 ARG A 16 5.497 2.454 -3.073 1.00 0.00 H +ATOM 243 HG3 ARG A 16 6.563 2.153 -4.447 1.00 0.00 H +ATOM 244 HD2 ARG A 16 4.704 0.968 -5.573 1.00 0.00 H +ATOM 245 HD3 ARG A 16 3.644 1.325 -4.197 1.00 0.00 H +ATOM 246 HE ARG A 16 3.562 3.570 -4.839 1.00 0.00 H +ATOM 247 HH11 ARG A 16 5.714 1.890 -7.023 1.00 0.00 H +ATOM 248 HH12 ARG A 16 5.768 3.197 -8.173 1.00 0.00 H +ATOM 249 HH21 ARG A 16 3.648 5.240 -6.327 1.00 0.00 H +ATOM 250 HH22 ARG A 16 4.602 5.065 -7.766 1.00 0.00 H +ATOM 251 N PRO A 17 7.244 2.550 -0.887 1.00 0.00 N +ATOM 252 CA PRO A 17 6.834 3.351 0.272 1.00 0.00 C +ATOM 253 C PRO A 17 5.302 3.529 0.364 1.00 0.00 C +ATOM 254 O PRO A 17 4.613 3.423 -0.657 1.00 0.00 O +ATOM 255 CB PRO A 17 7.546 4.701 0.109 1.00 0.00 C +ATOM 256 CG PRO A 17 7.773 4.807 -1.398 1.00 0.00 C +ATOM 257 CD PRO A 17 8.043 3.359 -1.797 1.00 0.00 C +ATOM 258 HA PRO A 17 7.191 2.864 1.180 1.00 0.00 H +ATOM 259 HB2 PRO A 17 6.929 5.505 0.461 1.00 0.00 H +ATOM 260 HB3 PRO A 17 8.509 4.667 0.619 1.00 0.00 H +ATOM 261 HG2 PRO A 17 6.902 5.190 -1.895 1.00 0.00 H +ATOM 262 HG3 PRO A 17 8.614 5.459 -1.638 1.00 0.00 H +ATOM 263 HD2 PRO A 17 7.743 3.188 -2.813 1.00 0.00 H +ATOM 264 HD3 PRO A 17 9.099 3.130 -1.650 1.00 0.00 H +ATOM 265 N PRO A 18 4.761 3.830 1.562 1.00 0.00 N +ATOM 266 CA PRO A 18 3.330 4.041 1.763 1.00 0.00 C +ATOM 267 C PRO A 18 2.857 5.363 1.124 1.00 0.00 C +ATOM 268 O PRO A 18 3.561 6.372 1.215 1.00 0.00 O +ATOM 269 CB PRO A 18 3.122 4.052 3.280 1.00 0.00 C +ATOM 270 CG PRO A 18 4.467 4.528 3.826 1.00 0.00 C +ATOM 271 CD PRO A 18 5.475 3.963 2.826 1.00 0.00 C +ATOM 272 HA PRO A 18 2.789 3.199 1.338 1.00 0.00 H +ATOM 273 HB2 PRO A 18 2.336 4.730 3.554 1.00 0.00 H +ATOM 274 HB3 PRO A 18 2.928 3.039 3.629 1.00 0.00 H +ATOM 275 HG2 PRO A 18 4.513 5.600 3.853 1.00 0.00 H +ATOM 276 HG3 PRO A 18 4.649 4.156 4.834 1.00 0.00 H +ATOM 277 HD2 PRO A 18 6.306 4.633 2.716 1.00 0.00 H +ATOM 278 HD3 PRO A 18 5.808 2.979 3.157 1.00 0.00 H +ATOM 279 N PRO A 19 1.664 5.391 0.501 1.00 0.00 N +ATOM 280 CA PRO A 19 1.089 6.605 -0.071 1.00 0.00 C +ATOM 281 C PRO A 19 0.480 7.494 1.027 1.00 0.00 C +ATOM 282 O PRO A 19 -0.248 6.998 1.889 1.00 0.00 O +ATOM 283 CB PRO A 19 0.030 6.099 -1.056 1.00 0.00 C +ATOM 284 CG PRO A 19 -0.452 4.787 -0.431 1.00 0.00 C +ATOM 285 CD PRO A 19 0.776 4.254 0.301 1.00 0.00 C +ATOM 286 HA PRO A 19 1.850 7.167 -0.612 1.00 0.00 H +ATOM 287 HB2 PRO A 19 -0.777 6.800 -1.143 1.00 0.00 H +ATOM 288 HB3 PRO A 19 0.507 5.887 -2.015 1.00 0.00 H +ATOM 289 HG2 PRO A 19 -1.258 4.965 0.255 1.00 0.00 H +ATOM 290 HG3 PRO A 19 -0.783 4.076 -1.188 1.00 0.00 H +ATOM 291 HD2 PRO A 19 0.491 3.835 1.247 1.00 0.00 H +ATOM 292 HD3 PRO A 19 1.276 3.508 -0.318 1.00 0.00 H +ATOM 293 N SER A 20 0.773 8.801 0.994 1.00 0.00 N +ATOM 294 CA SER A 20 0.156 9.787 1.896 1.00 0.00 C +ATOM 295 C SER A 20 -1.215 10.283 1.430 1.00 0.00 C +ATOM 296 O SER A 20 -1.579 10.082 0.257 1.00 0.00 O +ATOM 297 CB SER A 20 1.058 11.002 2.110 1.00 0.00 C +ATOM 298 OG SER A 20 0.393 11.759 3.099 1.00 0.00 O +ATOM 299 OXT SER A 20 -1.809 10.968 2.306 1.00 0.00 O +ATOM 300 H SER A 20 1.346 9.144 0.240 1.00 0.00 H +ATOM 301 HA SER A 20 -0.001 9.315 2.867 1.00 0.00 H +ATOM 302 HB2 SER A 20 2.029 10.699 2.452 1.00 0.00 H +ATOM 303 HB3 SER A 20 1.131 11.580 1.186 1.00 0.00 H +ATOM 304 HG SER A 20 -0.584 11.562 2.923 1.00 0.00 H +TER 305 SER A 20 +ENDMDL +MODEL 5 +ATOM 1 N ASN A 1 -8.175 6.595 -1.658 1.00 0.00 N +ATOM 2 CA ASN A 1 -7.203 6.342 -0.567 1.00 0.00 C +ATOM 3 C ASN A 1 -5.868 5.761 -1.012 1.00 0.00 C +ATOM 4 O ASN A 1 -4.867 6.207 -0.471 1.00 0.00 O +ATOM 5 CB ASN A 1 -7.789 5.475 0.551 1.00 0.00 C +ATOM 6 CG ASN A 1 -8.492 6.367 1.553 1.00 0.00 C +ATOM 7 OD1 ASN A 1 -9.561 6.874 1.264 1.00 0.00 O +ATOM 8 ND2 ASN A 1 -7.884 6.637 2.695 1.00 0.00 N +ATOM 9 H1 ASN A 1 -7.762 7.177 -2.374 1.00 0.00 H +ATOM 10 H2 ASN A 1 -8.486 5.725 -2.069 1.00 0.00 H +ATOM 11 H3 ASN A 1 -8.985 7.069 -1.275 1.00 0.00 H +ATOM 12 HA ASN A 1 -6.948 7.307 -0.124 1.00 0.00 H +ATOM 13 HB2 ASN A 1 -8.491 4.779 0.135 1.00 0.00 H +ATOM 14 HB3 ASN A 1 -6.995 4.925 1.061 1.00 0.00 H +ATOM 15 HD21 ASN A 1 -6.974 6.276 2.941 1.00 0.00 H +ATOM 16 HD22 ASN A 1 -8.390 7.244 3.321 1.00 0.00 H +ATOM 17 N LEU A 2 -5.828 4.741 -1.887 1.00 0.00 N +ATOM 18 CA LEU A 2 -4.612 4.045 -2.368 1.00 0.00 C +ATOM 19 C LEU A 2 -3.979 3.125 -1.303 1.00 0.00 C +ATOM 20 O LEU A 2 -3.517 2.035 -1.641 1.00 0.00 O +ATOM 21 CB LEU A 2 -3.580 5.040 -2.959 1.00 0.00 C +ATOM 22 CG LEU A 2 -4.147 5.962 -4.067 1.00 0.00 C +ATOM 23 CD1 LEU A 2 -3.532 7.367 -4.057 1.00 0.00 C +ATOM 24 CD2 LEU A 2 -3.954 5.329 -5.447 1.00 0.00 C +ATOM 25 H LEU A 2 -6.690 4.354 -2.239 1.00 0.00 H +ATOM 26 HA LEU A 2 -4.915 3.389 -3.185 1.00 0.00 H +ATOM 27 HB2 LEU A 2 -3.214 5.658 -2.162 1.00 0.00 H +ATOM 28 HB3 LEU A 2 -2.734 4.477 -3.358 1.00 0.00 H +ATOM 29 HG LEU A 2 -5.216 6.098 -3.915 1.00 0.00 H +ATOM 30 HD11 LEU A 2 -3.212 7.650 -3.053 1.00 0.00 H +ATOM 31 HD12 LEU A 2 -2.676 7.423 -4.729 1.00 0.00 H +ATOM 32 HD13 LEU A 2 -4.283 8.087 -4.385 1.00 0.00 H +ATOM 33 HD21 LEU A 2 -2.891 5.203 -5.654 1.00 0.00 H +ATOM 34 HD22 LEU A 2 -4.442 4.355 -5.483 1.00 0.00 H +ATOM 35 HD23 LEU A 2 -4.390 5.972 -6.210 1.00 0.00 H +ATOM 36 N TYR A 3 -4.034 3.507 -0.022 1.00 0.00 N +ATOM 37 CA TYR A 3 -3.488 2.754 1.113 1.00 0.00 C +ATOM 38 C TYR A 3 -3.999 1.304 1.197 1.00 0.00 C +ATOM 39 O TYR A 3 -3.219 0.398 1.481 1.00 0.00 O +ATOM 40 CB TYR A 3 -3.764 3.518 2.421 1.00 0.00 C +ATOM 41 CG TYR A 3 -2.555 3.588 3.333 1.00 0.00 C +ATOM 42 CD1 TYR A 3 -2.195 2.479 4.123 1.00 0.00 C +ATOM 43 CD2 TYR A 3 -1.776 4.762 3.370 1.00 0.00 C +ATOM 44 CE1 TYR A 3 -1.050 2.538 4.942 1.00 0.00 C +ATOM 45 CE2 TYR A 3 -0.643 4.831 4.199 1.00 0.00 C +ATOM 46 CZ TYR A 3 -0.268 3.716 4.975 1.00 0.00 C +ATOM 47 OH TYR A 3 0.867 3.769 5.724 1.00 0.00 O +ATOM 48 H TYR A 3 -4.320 4.468 0.138 1.00 0.00 H +ATOM 49 HA TYR A 3 -2.408 2.707 0.979 1.00 0.00 H +ATOM 50 HB2 TYR A 3 -4.066 4.518 2.176 1.00 0.00 H +ATOM 51 HB3 TYR A 3 -4.590 3.050 2.959 1.00 0.00 H +ATOM 52 HD1 TYR A 3 -2.793 1.578 4.096 1.00 0.00 H +ATOM 53 HD2 TYR A 3 -2.027 5.621 2.759 1.00 0.00 H +ATOM 54 HE1 TYR A 3 -0.776 1.690 5.552 1.00 0.00 H +ATOM 55 HE2 TYR A 3 -0.044 5.734 4.228 1.00 0.00 H +ATOM 56 HH TYR A 3 1.327 2.931 5.742 1.00 0.00 H +ATOM 57 N ILE A 4 -5.288 1.067 0.907 1.00 0.00 N +ATOM 58 CA ILE A 4 -5.894 -0.275 0.884 1.00 0.00 C +ATOM 59 C ILE A 4 -5.214 -1.162 -0.172 1.00 0.00 C +ATOM 60 O ILE A 4 -4.782 -2.273 0.130 1.00 0.00 O +ATOM 61 CB ILE A 4 -7.430 -0.201 0.663 1.00 0.00 C +ATOM 62 CG1 ILE A 4 -8.116 0.772 1.655 1.00 0.00 C +ATOM 63 CG2 ILE A 4 -8.062 -1.596 0.813 1.00 0.00 C +ATOM 64 CD1 ILE A 4 -8.454 2.122 1.015 1.00 0.00 C +ATOM 65 H ILE A 4 -5.869 1.867 0.710 1.00 0.00 H +ATOM 66 HA ILE A 4 -5.718 -0.740 1.855 1.00 0.00 H +ATOM 67 HB ILE A 4 -7.627 0.135 -0.357 1.00 0.00 H +ATOM 68 HG12 ILE A 4 -9.024 0.321 2.007 1.00 0.00 H +ATOM 69 HG13 ILE A 4 -7.470 0.935 2.519 1.00 0.00 H +ATOM 70 HG21 ILE A 4 -7.644 -2.289 0.083 1.00 0.00 H +ATOM 71 HG22 ILE A 4 -7.885 -1.983 1.817 1.00 0.00 H +ATOM 72 HG23 ILE A 4 -9.137 -1.535 0.640 1.00 0.00 H +ATOM 73 HD11 ILE A 4 -7.676 2.427 0.316 1.00 0.00 H +ATOM 74 HD12 ILE A 4 -9.403 2.047 0.483 1.00 0.00 H +ATOM 75 HD13 ILE A 4 -8.550 2.876 1.798 1.00 0.00 H +ATOM 76 N GLN A 5 -5.080 -0.655 -1.404 1.00 0.00 N +ATOM 77 CA GLN A 5 -4.405 -1.359 -2.496 1.00 0.00 C +ATOM 78 C GLN A 5 -2.908 -1.559 -2.203 1.00 0.00 C +ATOM 79 O GLN A 5 -2.368 -2.623 -2.496 1.00 0.00 O +ATOM 80 CB GLN A 5 -4.637 -0.594 -3.811 1.00 0.00 C +ATOM 81 CG GLN A 5 -4.176 -1.352 -5.070 1.00 0.00 C +ATOM 82 CD GLN A 5 -5.080 -2.517 -5.485 1.00 0.00 C +ATOM 83 OE1 GLN A 5 -5.806 -3.119 -4.707 1.00 0.00 O +ATOM 84 NE2 GLN A 5 -5.067 -2.886 -6.751 1.00 0.00 N +ATOM 85 H GLN A 5 -5.392 0.289 -1.566 1.00 0.00 H +ATOM 86 HA GLN A 5 -4.856 -2.348 -2.581 1.00 0.00 H +ATOM 87 HB2 GLN A 5 -5.687 -0.394 -3.904 1.00 0.00 H +ATOM 88 HB3 GLN A 5 -4.096 0.353 -3.763 1.00 0.00 H +ATOM 89 HG2 GLN A 5 -4.136 -0.654 -5.884 1.00 0.00 H +ATOM 90 HG3 GLN A 5 -3.160 -1.723 -4.932 1.00 0.00 H +ATOM 91 HE21 GLN A 5 -4.471 -2.439 -7.427 1.00 0.00 H +ATOM 92 HE22 GLN A 5 -5.746 -3.581 -7.000 1.00 0.00 H +ATOM 93 N TRP A 6 -2.243 -0.575 -1.581 1.00 0.00 N +ATOM 94 CA TRP A 6 -0.858 -0.716 -1.118 1.00 0.00 C +ATOM 95 C TRP A 6 -0.699 -1.828 -0.069 1.00 0.00 C +ATOM 96 O TRP A 6 0.195 -2.668 -0.194 1.00 0.00 O +ATOM 97 CB TRP A 6 -0.351 0.624 -0.585 1.00 0.00 C +ATOM 98 CG TRP A 6 1.048 0.578 -0.054 1.00 0.00 C +ATOM 99 CD1 TRP A 6 2.171 0.607 -0.807 1.00 0.00 C +ATOM 100 CD2 TRP A 6 1.497 0.476 1.333 1.00 0.00 C +ATOM 101 NE1 TRP A 6 3.277 0.517 0.018 1.00 0.00 N +ATOM 102 CE2 TRP A 6 2.921 0.430 1.339 1.00 0.00 C +ATOM 103 CE3 TRP A 6 0.854 0.427 2.590 1.00 0.00 C +ATOM 104 CZ2 TRP A 6 3.676 0.352 2.517 1.00 0.00 C +ATOM 105 CZ3 TRP A 6 1.600 0.338 3.783 1.00 0.00 C +ATOM 106 CH2 TRP A 6 3.006 0.310 3.748 1.00 0.00 C +ATOM 107 H TRP A 6 -2.729 0.304 -1.422 1.00 0.00 H +ATOM 108 HA TRP A 6 -0.238 -0.999 -1.969 1.00 0.00 H +ATOM 109 HB2 TRP A 6 -0.385 1.340 -1.384 1.00 0.00 H +ATOM 110 HB3 TRP A 6 -1.007 0.967 0.214 1.00 0.00 H +ATOM 111 HD1 TRP A 6 2.193 0.693 -1.885 1.00 0.00 H +ATOM 112 HE1 TRP A 6 4.245 0.568 -0.288 1.00 0.00 H +ATOM 113 HE3 TRP A 6 -0.224 0.468 2.624 1.00 0.00 H +ATOM 114 HZ2 TRP A 6 4.754 0.329 2.457 1.00 0.00 H +ATOM 115 HZ3 TRP A 6 1.091 0.294 4.733 1.00 0.00 H +ATOM 116 HH2 TRP A 6 3.573 0.259 4.666 1.00 0.00 H +ATOM 117 N LEU A 7 -1.582 -1.882 0.939 1.00 0.00 N +ATOM 118 CA LEU A 7 -1.603 -2.983 1.905 1.00 0.00 C +ATOM 119 C LEU A 7 -1.840 -4.339 1.225 1.00 0.00 C +ATOM 120 O LEU A 7 -1.195 -5.312 1.611 1.00 0.00 O +ATOM 121 CB LEU A 7 -2.648 -2.725 3.008 1.00 0.00 C +ATOM 122 CG LEU A 7 -2.246 -1.632 4.018 1.00 0.00 C +ATOM 123 CD1 LEU A 7 -3.417 -1.351 4.965 1.00 0.00 C +ATOM 124 CD2 LEU A 7 -1.033 -2.033 4.868 1.00 0.00 C +ATOM 125 H LEU A 7 -2.278 -1.141 1.019 1.00 0.00 H +ATOM 126 HA LEU A 7 -0.618 -3.051 2.362 1.00 0.00 H +ATOM 127 HB2 LEU A 7 -3.566 -2.428 2.539 1.00 0.00 H +ATOM 128 HB3 LEU A 7 -2.811 -3.653 3.557 1.00 0.00 H +ATOM 129 HG LEU A 7 -2.009 -0.713 3.490 1.00 0.00 H +ATOM 130 HD11 LEU A 7 -4.299 -1.072 4.387 1.00 0.00 H +ATOM 131 HD12 LEU A 7 -3.642 -2.240 5.555 1.00 0.00 H +ATOM 132 HD13 LEU A 7 -3.161 -0.532 5.635 1.00 0.00 H +ATOM 133 HD21 LEU A 7 -1.219 -2.989 5.358 1.00 0.00 H +ATOM 134 HD22 LEU A 7 -0.146 -2.116 4.244 1.00 0.00 H +ATOM 135 HD23 LEU A 7 -0.847 -1.273 5.626 1.00 0.00 H +ATOM 136 N LYS A 8 -2.685 -4.402 0.182 1.00 0.00 N +ATOM 137 CA LYS A 8 -2.936 -5.625 -0.601 1.00 0.00 C +ATOM 138 C LYS A 8 -1.667 -6.232 -1.217 1.00 0.00 C +ATOM 139 O LYS A 8 -1.582 -7.450 -1.336 1.00 0.00 O +ATOM 140 CB LYS A 8 -3.985 -5.346 -1.693 1.00 0.00 C +ATOM 141 CG LYS A 8 -4.692 -6.641 -2.114 1.00 0.00 C +ATOM 142 CD LYS A 8 -5.718 -6.428 -3.232 1.00 0.00 C +ATOM 143 CE LYS A 8 -5.032 -6.294 -4.599 1.00 0.00 C +ATOM 144 NZ LYS A 8 -5.771 -7.040 -5.645 1.00 0.00 N +ATOM 145 H LYS A 8 -3.211 -3.559 -0.040 1.00 0.00 H +ATOM 146 HA LYS A 8 -3.336 -6.373 0.084 1.00 0.00 H +ATOM 147 HB2 LYS A 8 -4.713 -4.655 -1.313 1.00 0.00 H +ATOM 148 HB3 LYS A 8 -3.500 -4.897 -2.560 1.00 0.00 H +ATOM 149 HG2 LYS A 8 -3.952 -7.338 -2.457 1.00 0.00 H +ATOM 150 HG3 LYS A 8 -5.210 -7.046 -1.244 1.00 0.00 H +ATOM 151 HD2 LYS A 8 -6.387 -7.266 -3.257 1.00 0.00 H +ATOM 152 HD3 LYS A 8 -6.315 -5.536 -3.029 1.00 0.00 H +ATOM 153 HE2 LYS A 8 -4.993 -5.257 -4.871 1.00 0.00 H +ATOM 154 HE3 LYS A 8 -4.012 -6.679 -4.526 1.00 0.00 H +ATOM 155 HZ1 LYS A 8 -5.793 -8.024 -5.407 1.00 0.00 H +ATOM 156 HZ2 LYS A 8 -6.721 -6.700 -5.709 1.00 0.00 H +ATOM 157 HZ3 LYS A 8 -5.316 -6.938 -6.542 1.00 0.00 H +ATOM 158 N ASP A 9 -0.684 -5.400 -1.577 1.00 0.00 N +ATOM 159 CA ASP A 9 0.625 -5.836 -2.086 1.00 0.00 C +ATOM 160 C ASP A 9 1.499 -6.498 -0.998 1.00 0.00 C +ATOM 161 O ASP A 9 2.414 -7.249 -1.327 1.00 0.00 O +ATOM 162 CB ASP A 9 1.344 -4.617 -2.703 1.00 0.00 C +ATOM 163 CG ASP A 9 2.032 -4.934 -4.036 1.00 0.00 C +ATOM 164 OD1 ASP A 9 1.293 -5.094 -5.034 1.00 0.00 O +ATOM 165 OD2 ASP A 9 3.282 -4.935 -4.072 1.00 0.00 O +ATOM 166 H ASP A 9 -0.848 -4.407 -1.477 1.00 0.00 H +ATOM 167 HA ASP A 9 0.459 -6.576 -2.871 1.00 0.00 H +ATOM 168 HB2 ASP A 9 0.621 -3.842 -2.868 1.00 0.00 H +ATOM 169 HB3 ASP A 9 2.073 -4.222 -1.993 1.00 0.00 H +ATOM 170 N GLY A 10 1.197 -6.249 0.290 1.00 0.00 N +ATOM 171 CA GLY A 10 1.964 -6.697 1.458 1.00 0.00 C +ATOM 172 C GLY A 10 2.454 -5.562 2.375 1.00 0.00 C +ATOM 173 O GLY A 10 3.219 -5.821 3.307 1.00 0.00 O +ATOM 174 H GLY A 10 0.340 -5.733 0.471 1.00 0.00 H +ATOM 175 HA2 GLY A 10 1.338 -7.359 2.052 1.00 0.00 H +ATOM 176 HA3 GLY A 10 2.839 -7.260 1.131 1.00 0.00 H +ATOM 177 N GLY A 11 2.062 -4.303 2.120 1.00 0.00 N +ATOM 178 CA GLY A 11 2.530 -3.141 2.879 1.00 0.00 C +ATOM 179 C GLY A 11 4.060 -2.973 2.802 1.00 0.00 C +ATOM 180 O GLY A 11 4.611 -3.075 1.699 1.00 0.00 O +ATOM 181 H GLY A 11 1.492 -4.143 1.300 1.00 0.00 H +ATOM 182 HA2 GLY A 11 2.070 -2.244 2.466 1.00 0.00 H +ATOM 183 HA3 GLY A 11 2.200 -3.255 3.909 1.00 0.00 H +ATOM 184 N PRO A 12 4.771 -2.727 3.926 1.00 0.00 N +ATOM 185 CA PRO A 12 6.226 -2.519 3.940 1.00 0.00 C +ATOM 186 C PRO A 12 7.037 -3.646 3.278 1.00 0.00 C +ATOM 187 O PRO A 12 8.097 -3.395 2.709 1.00 0.00 O +ATOM 188 CB PRO A 12 6.621 -2.378 5.418 1.00 0.00 C +ATOM 189 CG PRO A 12 5.327 -1.974 6.119 1.00 0.00 C +ATOM 190 CD PRO A 12 4.247 -2.658 5.284 1.00 0.00 C +ATOM 191 HA PRO A 12 6.447 -1.585 3.423 1.00 0.00 H +ATOM 192 HB2 PRO A 12 6.987 -3.310 5.804 1.00 0.00 H +ATOM 193 HB3 PRO A 12 7.399 -1.626 5.554 1.00 0.00 H +ATOM 194 HG2 PRO A 12 5.312 -2.328 7.132 1.00 0.00 H +ATOM 195 HG3 PRO A 12 5.205 -0.892 6.065 1.00 0.00 H +ATOM 196 HD2 PRO A 12 4.054 -3.644 5.660 1.00 0.00 H +ATOM 197 HD3 PRO A 12 3.323 -2.082 5.337 1.00 0.00 H +ATOM 198 N SER A 13 6.521 -4.880 3.304 1.00 0.00 N +ATOM 199 CA SER A 13 7.176 -6.096 2.804 1.00 0.00 C +ATOM 200 C SER A 13 7.053 -6.286 1.281 1.00 0.00 C +ATOM 201 O SER A 13 7.203 -7.401 0.787 1.00 0.00 O +ATOM 202 CB SER A 13 6.621 -7.302 3.574 1.00 0.00 C +ATOM 203 OG SER A 13 6.881 -7.134 4.956 1.00 0.00 O +ATOM 204 H SER A 13 5.621 -5.007 3.748 1.00 0.00 H +ATOM 205 HA SER A 13 8.242 -6.031 3.029 1.00 0.00 H +ATOM 206 HB2 SER A 13 5.562 -7.373 3.414 1.00 0.00 H +ATOM 207 HB3 SER A 13 7.106 -8.216 3.229 1.00 0.00 H +ATOM 208 HG SER A 13 6.464 -7.849 5.442 1.00 0.00 H +ATOM 209 N SER A 14 6.792 -5.202 0.538 1.00 0.00 N +ATOM 210 CA SER A 14 6.428 -5.207 -0.894 1.00 0.00 C +ATOM 211 C SER A 14 7.386 -4.379 -1.769 1.00 0.00 C +ATOM 212 O SER A 14 7.101 -4.123 -2.941 1.00 0.00 O +ATOM 213 CB SER A 14 4.978 -4.731 -1.093 1.00 0.00 C +ATOM 214 OG SER A 14 4.172 -4.953 0.037 1.00 0.00 O +ATOM 215 H SER A 14 6.675 -4.342 1.057 1.00 0.00 H +ATOM 216 HA SER A 14 6.470 -6.235 -1.257 1.00 0.00 H +ATOM 217 HB2 SER A 14 4.988 -3.679 -1.305 1.00 0.00 H +ATOM 218 HB3 SER A 14 4.551 -5.239 -1.956 1.00 0.00 H +ATOM 219 HG SER A 14 4.342 -4.220 0.679 1.00 0.00 H +ATOM 220 N GLY A 15 8.502 -3.913 -1.182 1.00 0.00 N +ATOM 221 CA GLY A 15 9.546 -3.129 -1.849 1.00 0.00 C +ATOM 222 C GLY A 15 9.114 -1.724 -2.287 1.00 0.00 C +ATOM 223 O GLY A 15 9.680 -1.186 -3.235 1.00 0.00 O +ATOM 224 H GLY A 15 8.649 -4.194 -0.222 1.00 0.00 H +ATOM 225 HA2 GLY A 15 10.391 -3.019 -1.170 1.00 0.00 H +ATOM 226 HA3 GLY A 15 9.893 -3.670 -2.730 1.00 0.00 H +ATOM 227 N ARG A 16 8.100 -1.139 -1.630 1.00 0.00 N +ATOM 228 CA ARG A 16 7.450 0.119 -2.030 1.00 0.00 C +ATOM 229 C ARG A 16 6.928 0.911 -0.816 1.00 0.00 C +ATOM 230 O ARG A 16 6.269 0.321 0.044 1.00 0.00 O +ATOM 231 CB ARG A 16 6.317 -0.179 -3.034 1.00 0.00 C +ATOM 232 CG ARG A 16 5.288 -1.191 -2.504 1.00 0.00 C +ATOM 233 CD ARG A 16 4.285 -1.659 -3.553 1.00 0.00 C +ATOM 234 NE ARG A 16 4.933 -2.527 -4.549 1.00 0.00 N +ATOM 235 CZ ARG A 16 4.527 -2.735 -5.794 1.00 0.00 C +ATOM 236 NH1 ARG A 16 3.493 -2.100 -6.302 1.00 0.00 N +ATOM 237 NH2 ARG A 16 5.167 -3.578 -6.566 1.00 0.00 N +ATOM 238 H ARG A 16 7.708 -1.640 -0.844 1.00 0.00 H +ATOM 239 HA ARG A 16 8.196 0.717 -2.550 1.00 0.00 H +ATOM 240 HB2 ARG A 16 5.809 0.739 -3.257 1.00 0.00 H +ATOM 241 HB3 ARG A 16 6.768 -0.575 -3.945 1.00 0.00 H +ATOM 242 HG2 ARG A 16 5.817 -2.049 -2.135 1.00 0.00 H +ATOM 243 HG3 ARG A 16 4.734 -0.757 -1.678 1.00 0.00 H +ATOM 244 HD2 ARG A 16 3.499 -2.206 -3.068 1.00 0.00 H +ATOM 245 HD3 ARG A 16 3.837 -0.783 -4.024 1.00 0.00 H +ATOM 246 HE ARG A 16 5.648 -3.155 -4.195 1.00 0.00 H +ATOM 247 HH11 ARG A 16 2.947 -1.544 -5.671 1.00 0.00 H +ATOM 248 HH12 ARG A 16 3.153 -2.320 -7.218 1.00 0.00 H +ATOM 249 HH21 ARG A 16 5.883 -4.149 -6.152 1.00 0.00 H +ATOM 250 HH22 ARG A 16 4.831 -3.768 -7.490 1.00 0.00 H +ATOM 251 N PRO A 17 7.167 2.235 -0.738 1.00 0.00 N +ATOM 252 CA PRO A 17 6.698 3.071 0.368 1.00 0.00 C +ATOM 253 C PRO A 17 5.171 3.287 0.323 1.00 0.00 C +ATOM 254 O PRO A 17 4.562 3.090 -0.732 1.00 0.00 O +ATOM 255 CB PRO A 17 7.457 4.393 0.202 1.00 0.00 C +ATOM 256 CG PRO A 17 7.658 4.498 -1.308 1.00 0.00 C +ATOM 257 CD PRO A 17 7.864 3.045 -1.729 1.00 0.00 C +ATOM 258 HA PRO A 17 6.972 2.607 1.317 1.00 0.00 H +ATOM 259 HB2 PRO A 17 6.878 5.217 0.571 1.00 0.00 H +ATOM 260 HB3 PRO A 17 8.428 4.317 0.695 1.00 0.00 H +ATOM 261 HG2 PRO A 17 6.793 4.919 -1.784 1.00 0.00 H +ATOM 262 HG3 PRO A 17 8.520 5.115 -1.561 1.00 0.00 H +ATOM 263 HD2 PRO A 17 7.450 2.878 -2.705 1.00 0.00 H +ATOM 264 HD3 PRO A 17 8.927 2.802 -1.714 1.00 0.00 H +ATOM 265 N PRO A 18 4.543 3.703 1.441 1.00 0.00 N +ATOM 266 CA PRO A 18 3.105 3.956 1.499 1.00 0.00 C +ATOM 267 C PRO A 18 2.686 5.190 0.673 1.00 0.00 C +ATOM 268 O PRO A 18 3.440 6.163 0.597 1.00 0.00 O +ATOM 269 CB PRO A 18 2.777 4.132 2.983 1.00 0.00 C +ATOM 270 CG PRO A 18 4.091 4.608 3.598 1.00 0.00 C +ATOM 271 CD PRO A 18 5.149 3.902 2.752 1.00 0.00 C +ATOM 272 HA PRO A 18 2.585 3.075 1.131 1.00 0.00 H +ATOM 273 HB2 PRO A 18 2.005 4.865 3.119 1.00 0.00 H +ATOM 274 HB3 PRO A 18 2.506 3.167 3.411 1.00 0.00 H +ATOM 275 HG2 PRO A 18 4.187 5.674 3.523 1.00 0.00 H +ATOM 276 HG3 PRO A 18 4.169 4.334 4.651 1.00 0.00 H +ATOM 277 HD2 PRO A 18 6.028 4.511 2.668 1.00 0.00 H +ATOM 278 HD3 PRO A 18 5.384 2.932 3.191 1.00 0.00 H +ATOM 279 N PRO A 19 1.485 5.179 0.063 1.00 0.00 N +ATOM 280 CA PRO A 19 0.959 6.296 -0.711 1.00 0.00 C +ATOM 281 C PRO A 19 0.308 7.346 0.205 1.00 0.00 C +ATOM 282 O PRO A 19 -0.866 7.217 0.563 1.00 0.00 O +ATOM 283 CB PRO A 19 -0.038 5.662 -1.685 1.00 0.00 C +ATOM 284 CG PRO A 19 -0.611 4.494 -0.880 1.00 0.00 C +ATOM 285 CD PRO A 19 0.571 4.046 -0.020 1.00 0.00 C +ATOM 286 HA PRO A 19 1.758 6.771 -1.284 1.00 0.00 H +ATOM 287 HB2 PRO A 19 -0.808 6.358 -1.956 1.00 0.00 H +ATOM 288 HB3 PRO A 19 0.500 5.276 -2.551 1.00 0.00 H +ATOM 289 HG2 PRO A 19 -1.432 4.815 -0.268 1.00 0.00 H +ATOM 290 HG3 PRO A 19 -0.960 3.695 -1.533 1.00 0.00 H +ATOM 291 HD2 PRO A 19 0.232 3.772 0.961 1.00 0.00 H +ATOM 292 HD3 PRO A 19 1.080 3.221 -0.514 1.00 0.00 H +ATOM 293 N SER A 20 1.081 8.389 0.531 1.00 0.00 N +ATOM 294 CA SER A 20 0.712 9.526 1.401 1.00 0.00 C +ATOM 295 C SER A 20 0.588 9.160 2.890 1.00 0.00 C +ATOM 296 O SER A 20 0.262 10.095 3.652 1.00 0.00 O +ATOM 297 CB SER A 20 -0.566 10.221 0.907 1.00 0.00 C +ATOM 298 OG SER A 20 -0.448 10.583 -0.457 1.00 0.00 O +ATOM 299 OXT SER A 20 0.841 7.989 3.253 1.00 0.00 O +ATOM 300 H SER A 20 2.044 8.336 0.235 1.00 0.00 H +ATOM 301 HA SER A 20 1.510 10.263 1.347 1.00 0.00 H +ATOM 302 HB2 SER A 20 -1.397 9.552 1.023 1.00 0.00 H +ATOM 303 HB3 SER A 20 -0.739 11.118 1.507 1.00 0.00 H +ATOM 304 HG SER A 20 -1.325 10.595 -0.845 1.00 0.00 H +TER 305 SER A 20 +ENDMDL +MODEL 6 +ATOM 1 N ASN A 1 -8.386 5.528 0.323 1.00 0.00 N +ATOM 2 CA ASN A 1 -7.252 6.475 0.201 1.00 0.00 C +ATOM 3 C ASN A 1 -5.976 5.793 -0.320 1.00 0.00 C +ATOM 4 O ASN A 1 -4.928 5.981 0.279 1.00 0.00 O +ATOM 5 CB ASN A 1 -6.989 7.168 1.563 1.00 0.00 C +ATOM 6 CG ASN A 1 -8.182 7.971 2.069 1.00 0.00 C +ATOM 7 OD1 ASN A 1 -9.321 7.671 1.737 1.00 0.00 O +ATOM 8 ND2 ASN A 1 -7.956 8.989 2.877 1.00 0.00 N +ATOM 9 H1 ASN A 1 -8.680 5.191 -0.583 1.00 0.00 H +ATOM 10 H2 ASN A 1 -8.133 4.750 0.917 1.00 0.00 H +ATOM 11 H3 ASN A 1 -9.162 6.024 0.757 1.00 0.00 H +ATOM 12 HA ASN A 1 -7.519 7.256 -0.513 1.00 0.00 H +ATOM 13 HB2 ASN A 1 -6.753 6.414 2.289 1.00 0.00 H +ATOM 14 HB3 ASN A 1 -6.141 7.847 1.464 1.00 0.00 H +ATOM 15 HD21 ASN A 1 -7.025 9.245 3.168 1.00 0.00 H +ATOM 16 HD22 ASN A 1 -8.768 9.497 3.186 1.00 0.00 H +ATOM 17 N LEU A 2 -6.033 4.992 -1.399 1.00 0.00 N +ATOM 18 CA LEU A 2 -4.893 4.279 -2.026 1.00 0.00 C +ATOM 19 C LEU A 2 -4.189 3.209 -1.150 1.00 0.00 C +ATOM 20 O LEU A 2 -3.787 2.161 -1.653 1.00 0.00 O +ATOM 21 CB LEU A 2 -3.898 5.323 -2.592 1.00 0.00 C +ATOM 22 CG LEU A 2 -3.403 5.048 -4.026 1.00 0.00 C +ATOM 23 CD1 LEU A 2 -4.520 5.284 -5.049 1.00 0.00 C +ATOM 24 CD2 LEU A 2 -2.245 5.991 -4.373 1.00 0.00 C +ATOM 25 H LEU A 2 -6.896 4.918 -1.915 1.00 0.00 H +ATOM 26 HA LEU A 2 -5.303 3.724 -2.868 1.00 0.00 H +ATOM 27 HB2 LEU A 2 -4.382 6.281 -2.586 1.00 0.00 H +ATOM 28 HB3 LEU A 2 -3.041 5.381 -1.923 1.00 0.00 H +ATOM 29 HG LEU A 2 -3.055 4.018 -4.106 1.00 0.00 H +ATOM 30 HD11 LEU A 2 -5.356 4.614 -4.868 1.00 0.00 H +ATOM 31 HD12 LEU A 2 -4.864 6.318 -4.993 1.00 0.00 H +ATOM 32 HD13 LEU A 2 -4.141 5.093 -6.053 1.00 0.00 H +ATOM 33 HD21 LEU A 2 -2.447 7.000 -4.006 1.00 0.00 H +ATOM 34 HD22 LEU A 2 -1.330 5.621 -3.919 1.00 0.00 H +ATOM 35 HD23 LEU A 2 -2.089 6.031 -5.450 1.00 0.00 H +ATOM 36 N TYR A 3 -4.112 3.429 0.165 1.00 0.00 N +ATOM 37 CA TYR A 3 -3.496 2.595 1.193 1.00 0.00 C +ATOM 38 C TYR A 3 -4.014 1.148 1.203 1.00 0.00 C +ATOM 39 O TYR A 3 -3.249 0.231 1.485 1.00 0.00 O +ATOM 40 CB TYR A 3 -3.710 3.279 2.555 1.00 0.00 C +ATOM 41 CG TYR A 3 -2.553 3.084 3.510 1.00 0.00 C +ATOM 42 CD1 TYR A 3 -2.456 1.903 4.268 1.00 0.00 C +ATOM 43 CD2 TYR A 3 -1.561 4.078 3.620 1.00 0.00 C +ATOM 44 CE1 TYR A 3 -1.355 1.701 5.120 1.00 0.00 C +ATOM 45 CE2 TYR A 3 -0.454 3.878 4.467 1.00 0.00 C +ATOM 46 CZ TYR A 3 -0.345 2.682 5.210 1.00 0.00 C +ATOM 47 OH TYR A 3 0.737 2.459 6.003 1.00 0.00 O +ATOM 48 H TYR A 3 -4.356 4.372 0.451 1.00 0.00 H +ATOM 49 HA TYR A 3 -2.424 2.563 0.995 1.00 0.00 H +ATOM 50 HB2 TYR A 3 -3.843 4.331 2.391 1.00 0.00 H +ATOM 51 HB3 TYR A 3 -4.629 2.908 3.015 1.00 0.00 H +ATOM 52 HD1 TYR A 3 -3.225 1.149 4.184 1.00 0.00 H +ATOM 53 HD2 TYR A 3 -1.654 5.000 3.056 1.00 0.00 H +ATOM 54 HE1 TYR A 3 -1.263 0.796 5.701 1.00 0.00 H +ATOM 55 HE2 TYR A 3 0.299 4.646 4.556 1.00 0.00 H +ATOM 56 HH TYR A 3 1.435 3.096 5.844 1.00 0.00 H +ATOM 57 N ILE A 4 -5.288 0.927 0.844 1.00 0.00 N +ATOM 58 CA ILE A 4 -5.882 -0.413 0.700 1.00 0.00 C +ATOM 59 C ILE A 4 -5.155 -1.216 -0.392 1.00 0.00 C +ATOM 60 O ILE A 4 -4.783 -2.368 -0.166 1.00 0.00 O +ATOM 61 CB ILE A 4 -7.403 -0.333 0.415 1.00 0.00 C +ATOM 62 CG1 ILE A 4 -8.165 0.597 1.397 1.00 0.00 C +ATOM 63 CG2 ILE A 4 -8.025 -1.739 0.474 1.00 0.00 C +ATOM 64 CD1 ILE A 4 -8.569 1.925 0.742 1.00 0.00 C +ATOM 65 H ILE A 4 -5.849 1.736 0.639 1.00 0.00 H +ATOM 66 HA ILE A 4 -5.742 -0.945 1.643 1.00 0.00 H +ATOM 67 HB ILE A 4 -7.545 0.041 -0.602 1.00 0.00 H +ATOM 68 HG12 ILE A 4 -9.051 0.094 1.733 1.00 0.00 H +ATOM 69 HG13 ILE A 4 -7.558 0.797 2.280 1.00 0.00 H +ATOM 70 HG21 ILE A 4 -7.561 -2.398 -0.261 1.00 0.00 H +ATOM 71 HG22 ILE A 4 -7.892 -2.168 1.469 1.00 0.00 H +ATOM 72 HG23 ILE A 4 -9.091 -1.683 0.250 1.00 0.00 H +ATOM 73 HD11 ILE A 4 -7.690 2.447 0.367 1.00 0.00 H +ATOM 74 HD12 ILE A 4 -9.256 1.730 -0.083 1.00 0.00 H +ATOM 75 HD13 ILE A 4 -9.076 2.550 1.478 1.00 0.00 H +ATOM 76 N GLN A 5 -4.919 -0.602 -1.563 1.00 0.00 N +ATOM 77 CA GLN A 5 -4.148 -1.213 -2.650 1.00 0.00 C +ATOM 78 C GLN A 5 -2.698 -1.477 -2.220 1.00 0.00 C +ATOM 79 O GLN A 5 -2.176 -2.563 -2.456 1.00 0.00 O +ATOM 80 CB GLN A 5 -4.189 -0.338 -3.923 1.00 0.00 C +ATOM 81 CG GLN A 5 -5.048 -0.952 -5.043 1.00 0.00 C +ATOM 82 CD GLN A 5 -4.557 -0.530 -6.426 1.00 0.00 C +ATOM 83 OE1 GLN A 5 -3.843 -1.254 -7.098 1.00 0.00 O +ATOM 84 NE2 GLN A 5 -4.900 0.648 -6.907 1.00 0.00 N +ATOM 85 H GLN A 5 -5.147 0.379 -1.642 1.00 0.00 H +ATOM 86 HA GLN A 5 -4.590 -2.184 -2.870 1.00 0.00 H +ATOM 87 HB2 GLN A 5 -4.595 0.621 -3.666 1.00 0.00 H +ATOM 88 HB3 GLN A 5 -3.171 -0.226 -4.301 1.00 0.00 H +ATOM 89 HG2 GLN A 5 -5.003 -2.022 -4.969 1.00 0.00 H +ATOM 90 HG3 GLN A 5 -6.090 -0.657 -4.912 1.00 0.00 H +ATOM 91 HE21 GLN A 5 -5.491 1.299 -6.420 1.00 0.00 H +ATOM 92 HE22 GLN A 5 -4.516 0.824 -7.820 1.00 0.00 H +ATOM 93 N TRP A 6 -2.058 -0.514 -1.548 1.00 0.00 N +ATOM 94 CA TRP A 6 -0.698 -0.699 -1.033 1.00 0.00 C +ATOM 95 C TRP A 6 -0.598 -1.819 0.024 1.00 0.00 C +ATOM 96 O TRP A 6 0.351 -2.603 0.007 1.00 0.00 O +ATOM 97 CB TRP A 6 -0.182 0.633 -0.487 1.00 0.00 C +ATOM 98 CG TRP A 6 1.208 0.559 0.054 1.00 0.00 C +ATOM 99 CD1 TRP A 6 2.340 0.584 -0.684 1.00 0.00 C +ATOM 100 CD2 TRP A 6 1.636 0.399 1.441 1.00 0.00 C +ATOM 101 NE1 TRP A 6 3.434 0.426 0.145 1.00 0.00 N +ATOM 102 CE2 TRP A 6 3.060 0.338 1.464 1.00 0.00 C +ATOM 103 CE3 TRP A 6 0.968 0.306 2.680 1.00 0.00 C +ATOM 104 CZ2 TRP A 6 3.793 0.231 2.652 1.00 0.00 C +ATOM 105 CZ3 TRP A 6 1.692 0.176 3.881 1.00 0.00 C +ATOM 106 CH2 TRP A 6 3.098 0.160 3.871 1.00 0.00 C +ATOM 107 H TRP A 6 -2.537 0.370 -1.411 1.00 0.00 H +ATOM 108 HA TRP A 6 -0.056 -0.999 -1.865 1.00 0.00 H +ATOM 109 HB2 TRP A 6 -0.199 1.355 -1.281 1.00 0.00 H +ATOM 110 HB3 TRP A 6 -0.845 0.977 0.306 1.00 0.00 H +ATOM 111 HD1 TRP A 6 2.372 0.691 -1.760 1.00 0.00 H +ATOM 112 HE1 TRP A 6 4.406 0.397 -0.171 1.00 0.00 H +ATOM 113 HE3 TRP A 6 -0.111 0.343 2.699 1.00 0.00 H +ATOM 114 HZ2 TRP A 6 4.871 0.201 2.617 1.00 0.00 H +ATOM 115 HZ3 TRP A 6 1.165 0.101 4.820 1.00 0.00 H +ATOM 116 HH2 TRP A 6 3.644 0.086 4.800 1.00 0.00 H +ATOM 117 N LEU A 7 -1.583 -1.947 0.921 1.00 0.00 N +ATOM 118 CA LEU A 7 -1.656 -3.076 1.851 1.00 0.00 C +ATOM 119 C LEU A 7 -1.870 -4.413 1.124 1.00 0.00 C +ATOM 120 O LEU A 7 -1.239 -5.396 1.507 1.00 0.00 O +ATOM 121 CB LEU A 7 -2.744 -2.838 2.914 1.00 0.00 C +ATOM 122 CG LEU A 7 -2.336 -1.840 4.014 1.00 0.00 C +ATOM 123 CD1 LEU A 7 -3.558 -1.525 4.882 1.00 0.00 C +ATOM 124 CD2 LEU A 7 -1.236 -2.386 4.934 1.00 0.00 C +ATOM 125 H LEU A 7 -2.308 -1.232 0.953 1.00 0.00 H +ATOM 126 HA LEU A 7 -0.691 -3.164 2.348 1.00 0.00 H +ATOM 127 HB2 LEU A 7 -3.619 -2.459 2.422 1.00 0.00 H +ATOM 128 HB3 LEU A 7 -2.984 -3.790 3.391 1.00 0.00 H +ATOM 129 HG LEU A 7 -1.981 -0.918 3.559 1.00 0.00 H +ATOM 130 HD11 LEU A 7 -4.336 -1.072 4.269 1.00 0.00 H +ATOM 131 HD12 LEU A 7 -3.942 -2.440 5.333 1.00 0.00 H +ATOM 132 HD13 LEU A 7 -3.281 -0.829 5.675 1.00 0.00 H +ATOM 133 HD21 LEU A 7 -1.580 -3.296 5.429 1.00 0.00 H +ATOM 134 HD22 LEU A 7 -0.333 -2.606 4.369 1.00 0.00 H +ATOM 135 HD23 LEU A 7 -0.987 -1.645 5.691 1.00 0.00 H +ATOM 136 N LYS A 8 -2.686 -4.452 0.056 1.00 0.00 N +ATOM 137 CA LYS A 8 -2.868 -5.634 -0.809 1.00 0.00 C +ATOM 138 C LYS A 8 -1.553 -6.182 -1.385 1.00 0.00 C +ATOM 139 O LYS A 8 -1.446 -7.398 -1.524 1.00 0.00 O +ATOM 140 CB LYS A 8 -3.855 -5.315 -1.947 1.00 0.00 C +ATOM 141 CG LYS A 8 -5.312 -5.718 -1.691 1.00 0.00 C +ATOM 142 CD LYS A 8 -5.595 -7.194 -2.011 1.00 0.00 C +ATOM 143 CE LYS A 8 -7.083 -7.358 -2.351 1.00 0.00 C +ATOM 144 NZ LYS A 8 -7.467 -8.781 -2.499 1.00 0.00 N +ATOM 145 H LYS A 8 -3.201 -3.604 -0.166 1.00 0.00 H +ATOM 146 HA LYS A 8 -3.277 -6.443 -0.202 1.00 0.00 H +ATOM 147 HB2 LYS A 8 -3.830 -4.256 -2.119 1.00 0.00 H +ATOM 148 HB3 LYS A 8 -3.518 -5.782 -2.874 1.00 0.00 H +ATOM 149 HG2 LYS A 8 -5.538 -5.544 -0.657 1.00 0.00 H +ATOM 150 HG3 LYS A 8 -5.933 -5.099 -2.340 1.00 0.00 H +ATOM 151 HD2 LYS A 8 -4.999 -7.501 -2.849 1.00 0.00 H +ATOM 152 HD3 LYS A 8 -5.322 -7.812 -1.153 1.00 0.00 H +ATOM 153 HE2 LYS A 8 -7.668 -6.922 -1.564 1.00 0.00 H +ATOM 154 HE3 LYS A 8 -7.274 -6.823 -3.286 1.00 0.00 H +ATOM 155 HZ1 LYS A 8 -6.831 -9.251 -3.130 1.00 0.00 H +ATOM 156 HZ2 LYS A 8 -7.436 -9.244 -1.601 1.00 0.00 H +ATOM 157 HZ3 LYS A 8 -8.406 -8.854 -2.869 1.00 0.00 H +ATOM 158 N ASP A 9 -0.560 -5.331 -1.687 1.00 0.00 N +ATOM 159 CA ASP A 9 0.784 -5.780 -2.096 1.00 0.00 C +ATOM 160 C ASP A 9 1.568 -6.488 -0.965 1.00 0.00 C +ATOM 161 O ASP A 9 2.503 -7.234 -1.258 1.00 0.00 O +ATOM 162 CB ASP A 9 1.632 -4.594 -2.600 1.00 0.00 C +ATOM 163 CG ASP A 9 1.231 -4.011 -3.959 1.00 0.00 C +ATOM 164 OD1 ASP A 9 1.430 -4.722 -4.969 1.00 0.00 O +ATOM 165 OD2 ASP A 9 0.856 -2.815 -4.003 1.00 0.00 O +ATOM 166 H ASP A 9 -0.747 -4.339 -1.618 1.00 0.00 H +ATOM 167 HA ASP A 9 0.686 -6.498 -2.912 1.00 0.00 H +ATOM 168 HB2 ASP A 9 1.563 -3.808 -1.872 1.00 0.00 H +ATOM 169 HB3 ASP A 9 2.656 -4.948 -2.713 1.00 0.00 H +ATOM 170 N GLY A 10 1.199 -6.278 0.311 1.00 0.00 N +ATOM 171 CA GLY A 10 1.937 -6.750 1.490 1.00 0.00 C +ATOM 172 C GLY A 10 2.431 -5.639 2.432 1.00 0.00 C +ATOM 173 O GLY A 10 3.200 -5.926 3.352 1.00 0.00 O +ATOM 174 H GLY A 10 0.336 -5.769 0.474 1.00 0.00 H +ATOM 175 HA2 GLY A 10 1.286 -7.408 2.066 1.00 0.00 H +ATOM 176 HA3 GLY A 10 2.807 -7.329 1.179 1.00 0.00 H +ATOM 177 N GLY A 11 2.031 -4.376 2.219 1.00 0.00 N +ATOM 178 CA GLY A 11 2.470 -3.241 3.034 1.00 0.00 C +ATOM 179 C GLY A 11 4.000 -3.062 3.006 1.00 0.00 C +ATOM 180 O GLY A 11 4.575 -3.113 1.914 1.00 0.00 O +ATOM 181 H GLY A 11 1.469 -4.186 1.397 1.00 0.00 H +ATOM 182 HA2 GLY A 11 2.015 -2.334 2.636 1.00 0.00 H +ATOM 183 HA3 GLY A 11 2.114 -3.391 4.051 1.00 0.00 H +ATOM 184 N PRO A 12 4.686 -2.853 4.152 1.00 0.00 N +ATOM 185 CA PRO A 12 6.138 -2.627 4.199 1.00 0.00 C +ATOM 186 C PRO A 12 6.979 -3.705 3.499 1.00 0.00 C +ATOM 187 O PRO A 12 8.023 -3.398 2.928 1.00 0.00 O +ATOM 188 CB PRO A 12 6.504 -2.546 5.686 1.00 0.00 C +ATOM 189 CG PRO A 12 5.198 -2.156 6.370 1.00 0.00 C +ATOM 190 CD PRO A 12 4.133 -2.817 5.498 1.00 0.00 C +ATOM 191 HA PRO A 12 6.351 -1.666 3.730 1.00 0.00 H +ATOM 192 HB2 PRO A 12 6.853 -3.495 6.045 1.00 0.00 H +ATOM 193 HB3 PRO A 12 7.286 -1.807 5.866 1.00 0.00 H +ATOM 194 HG2 PRO A 12 5.162 -2.534 7.374 1.00 0.00 H +ATOM 195 HG3 PRO A 12 5.079 -1.073 6.340 1.00 0.00 H +ATOM 196 HD2 PRO A 12 3.931 -3.812 5.845 1.00 0.00 H +ATOM 197 HD3 PRO A 12 3.207 -2.241 5.544 1.00 0.00 H +ATOM 198 N SER A 13 6.508 -4.958 3.493 1.00 0.00 N +ATOM 199 CA SER A 13 7.189 -6.103 2.872 1.00 0.00 C +ATOM 200 C SER A 13 7.058 -6.147 1.336 1.00 0.00 C +ATOM 201 O SER A 13 7.435 -7.142 0.722 1.00 0.00 O +ATOM 202 CB SER A 13 6.693 -7.403 3.522 1.00 0.00 C +ATOM 203 OG SER A 13 7.056 -7.403 4.891 1.00 0.00 O +ATOM 204 H SER A 13 5.629 -5.143 3.955 1.00 0.00 H +ATOM 205 HA SER A 13 8.255 -6.026 3.087 1.00 0.00 H +ATOM 206 HB2 SER A 13 5.625 -7.465 3.433 1.00 0.00 H +ATOM 207 HB3 SER A 13 7.159 -8.260 3.034 1.00 0.00 H +ATOM 208 HG SER A 13 6.918 -8.284 5.253 1.00 0.00 H +ATOM 209 N SER A 14 6.545 -5.077 0.709 1.00 0.00 N +ATOM 210 CA SER A 14 6.283 -4.978 -0.737 1.00 0.00 C +ATOM 211 C SER A 14 7.371 -4.237 -1.526 1.00 0.00 C +ATOM 212 O SER A 14 7.218 -4.034 -2.732 1.00 0.00 O +ATOM 213 CB SER A 14 4.974 -4.222 -0.999 1.00 0.00 C +ATOM 214 OG SER A 14 3.964 -4.544 -0.082 1.00 0.00 O +ATOM 215 H SER A 14 6.237 -4.313 1.299 1.00 0.00 H +ATOM 216 HA SER A 14 6.178 -5.981 -1.151 1.00 0.00 H +ATOM 217 HB2 SER A 14 5.169 -3.169 -0.937 1.00 0.00 H +ATOM 218 HB3 SER A 14 4.638 -4.447 -2.011 1.00 0.00 H +ATOM 219 HG SER A 14 4.139 -4.000 0.726 1.00 0.00 H +ATOM 220 N GLY A 15 8.414 -3.725 -0.859 1.00 0.00 N +ATOM 221 CA GLY A 15 9.471 -2.894 -1.454 1.00 0.00 C +ATOM 222 C GLY A 15 9.041 -1.455 -1.795 1.00 0.00 C +ATOM 223 O GLY A 15 9.819 -0.525 -1.599 1.00 0.00 O +ATOM 224 H GLY A 15 8.450 -3.903 0.136 1.00 0.00 H +ATOM 225 HA2 GLY A 15 10.311 -2.842 -0.764 1.00 0.00 H +ATOM 226 HA3 GLY A 15 9.822 -3.367 -2.372 1.00 0.00 H +ATOM 227 N ARG A 16 7.814 -1.262 -2.297 1.00 0.00 N +ATOM 228 CA ARG A 16 7.226 0.051 -2.611 1.00 0.00 C +ATOM 229 C ARG A 16 6.816 0.830 -1.338 1.00 0.00 C +ATOM 230 O ARG A 16 6.195 0.243 -0.447 1.00 0.00 O +ATOM 231 CB ARG A 16 6.050 -0.120 -3.595 1.00 0.00 C +ATOM 232 CG ARG A 16 4.880 -0.960 -3.052 1.00 0.00 C +ATOM 233 CD ARG A 16 3.737 -1.115 -4.058 1.00 0.00 C +ATOM 234 NE ARG A 16 4.012 -2.181 -5.038 1.00 0.00 N +ATOM 235 CZ ARG A 16 3.322 -2.423 -6.147 1.00 0.00 C +ATOM 236 NH1 ARG A 16 2.338 -1.649 -6.533 1.00 0.00 N +ATOM 237 NH2 ARG A 16 3.618 -3.461 -6.892 1.00 0.00 N +ATOM 238 H ARG A 16 7.281 -2.107 -2.474 1.00 0.00 H +ATOM 239 HA ARG A 16 8.002 0.620 -3.123 1.00 0.00 H +ATOM 240 HB2 ARG A 16 5.676 0.855 -3.843 1.00 0.00 H +ATOM 241 HB3 ARG A 16 6.426 -0.587 -4.506 1.00 0.00 H +ATOM 242 HG2 ARG A 16 5.248 -1.936 -2.800 1.00 0.00 H +ATOM 243 HG3 ARG A 16 4.474 -0.469 -2.174 1.00 0.00 H +ATOM 244 HD2 ARG A 16 2.836 -1.356 -3.526 1.00 0.00 H +ATOM 245 HD3 ARG A 16 3.570 -0.162 -4.563 1.00 0.00 H +ATOM 246 HE ARG A 16 4.727 -2.848 -4.801 1.00 0.00 H +ATOM 247 HH11 ARG A 16 1.964 -1.052 -5.816 1.00 0.00 H +ATOM 248 HH12 ARG A 16 1.772 -1.893 -7.322 1.00 0.00 H +ATOM 249 HH21 ARG A 16 4.226 -4.165 -6.517 1.00 0.00 H +ATOM 250 HH22 ARG A 16 3.002 -3.699 -7.645 1.00 0.00 H +ATOM 251 N PRO A 17 7.097 2.147 -1.240 1.00 0.00 N +ATOM 252 CA PRO A 17 6.733 2.965 -0.077 1.00 0.00 C +ATOM 253 C PRO A 17 5.211 3.205 0.012 1.00 0.00 C +ATOM 254 O PRO A 17 4.514 3.057 -0.995 1.00 0.00 O +ATOM 255 CB PRO A 17 7.499 4.279 -0.266 1.00 0.00 C +ATOM 256 CG PRO A 17 7.601 4.413 -1.783 1.00 0.00 C +ATOM 257 CD PRO A 17 7.764 2.966 -2.245 1.00 0.00 C +ATOM 258 HA PRO A 17 7.073 2.472 0.834 1.00 0.00 H +ATOM 259 HB2 PRO A 17 6.958 5.103 0.157 1.00 0.00 H +ATOM 260 HB3 PRO A 17 8.500 4.183 0.158 1.00 0.00 H +ATOM 261 HG2 PRO A 17 6.711 4.851 -2.192 1.00 0.00 H +ATOM 262 HG3 PRO A 17 8.451 5.031 -2.080 1.00 0.00 H +ATOM 263 HD2 PRO A 17 7.305 2.827 -3.205 1.00 0.00 H +ATOM 264 HD3 PRO A 17 8.823 2.707 -2.277 1.00 0.00 H +ATOM 265 N PRO A 18 4.682 3.595 1.190 1.00 0.00 N +ATOM 266 CA PRO A 18 3.257 3.860 1.368 1.00 0.00 C +ATOM 267 C PRO A 18 2.815 5.129 0.616 1.00 0.00 C +ATOM 268 O PRO A 18 3.586 6.086 0.526 1.00 0.00 O +ATOM 269 CB PRO A 18 3.049 4.007 2.879 1.00 0.00 C +ATOM 270 CG PRO A 18 4.407 4.496 3.377 1.00 0.00 C +ATOM 271 CD PRO A 18 5.393 3.792 2.447 1.00 0.00 C +ATOM 272 HA PRO A 18 2.691 3.004 1.010 1.00 0.00 H +ATOM 273 HB2 PRO A 18 2.280 4.725 3.093 1.00 0.00 H +ATOM 274 HB3 PRO A 18 2.830 3.031 3.313 1.00 0.00 H +ATOM 275 HG2 PRO A 18 4.488 5.562 3.288 1.00 0.00 H +ATOM 276 HG3 PRO A 18 4.575 4.231 4.423 1.00 0.00 H +ATOM 277 HD2 PRO A 18 6.262 4.402 2.293 1.00 0.00 H +ATOM 278 HD3 PRO A 18 5.666 2.823 2.864 1.00 0.00 H +ATOM 279 N PRO A 19 1.564 5.179 0.116 1.00 0.00 N +ATOM 280 CA PRO A 19 1.048 6.326 -0.630 1.00 0.00 C +ATOM 281 C PRO A 19 0.603 7.495 0.262 1.00 0.00 C +ATOM 282 O PRO A 19 0.510 8.619 -0.227 1.00 0.00 O +ATOM 283 CB PRO A 19 -0.136 5.763 -1.415 1.00 0.00 C +ATOM 284 CG PRO A 19 -0.683 4.666 -0.501 1.00 0.00 C +ATOM 285 CD PRO A 19 0.585 4.100 0.134 1.00 0.00 C +ATOM 286 HA PRO A 19 1.801 6.695 -1.328 1.00 0.00 H +ATOM 287 HB2 PRO A 19 -0.875 6.521 -1.589 1.00 0.00 H +ATOM 288 HB3 PRO A 19 0.239 5.311 -2.333 1.00 0.00 H +ATOM 289 HG2 PRO A 19 -1.340 5.073 0.243 1.00 0.00 H +ATOM 290 HG3 PRO A 19 -1.221 3.904 -1.064 1.00 0.00 H +ATOM 291 HD2 PRO A 19 0.390 3.791 1.143 1.00 0.00 H +ATOM 292 HD3 PRO A 19 0.959 3.279 -0.477 1.00 0.00 H +ATOM 293 N SER A 20 0.367 7.228 1.556 1.00 0.00 N +ATOM 294 CA SER A 20 -0.233 8.139 2.544 1.00 0.00 C +ATOM 295 C SER A 20 -1.656 8.585 2.160 1.00 0.00 C +ATOM 296 O SER A 20 -2.384 7.708 1.628 1.00 0.00 O +ATOM 297 CB SER A 20 0.737 9.297 2.810 1.00 0.00 C +ATOM 298 OG SER A 20 0.750 9.605 4.190 1.00 0.00 O +ATOM 299 OXT SER A 20 -2.026 9.739 2.451 1.00 0.00 O +ATOM 300 H SER A 20 0.453 6.262 1.817 1.00 0.00 H +ATOM 301 HA SER A 20 -0.350 7.592 3.476 1.00 0.00 H +ATOM 302 HB2 SER A 20 1.724 9.013 2.499 1.00 0.00 H +ATOM 303 HB3 SER A 20 0.448 10.165 2.214 1.00 0.00 H +ATOM 304 HG SER A 20 0.692 10.559 4.282 1.00 0.00 H +TER 305 SER A 20 +ENDMDL +MODEL 7 +ATOM 1 N ASN A 1 -8.903 5.528 -0.196 1.00 0.00 N +ATOM 2 CA ASN A 1 -7.549 5.998 -0.581 1.00 0.00 C +ATOM 3 C ASN A 1 -6.760 4.831 -1.189 1.00 0.00 C +ATOM 4 O ASN A 1 -7.247 3.705 -1.144 1.00 0.00 O +ATOM 5 CB ASN A 1 -6.831 6.647 0.620 1.00 0.00 C +ATOM 6 CG ASN A 1 -5.684 7.538 0.154 1.00 0.00 C +ATOM 7 OD1 ASN A 1 -4.583 7.063 -0.078 1.00 0.00 O +ATOM 8 ND2 ASN A 1 -5.924 8.815 -0.078 1.00 0.00 N +ATOM 9 H1 ASN A 1 -9.364 5.129 -1.005 1.00 0.00 H +ATOM 10 H2 ASN A 1 -8.821 4.800 0.502 1.00 0.00 H +ATOM 11 H3 ASN A 1 -9.457 6.290 0.168 1.00 0.00 H +ATOM 12 HA ASN A 1 -7.661 6.757 -1.358 1.00 0.00 H +ATOM 13 HB2 ASN A 1 -7.535 7.240 1.171 1.00 0.00 H +ATOM 14 HB3 ASN A 1 -6.437 5.876 1.282 1.00 0.00 H +ATOM 15 HD21 ASN A 1 -6.803 9.269 0.111 1.00 0.00 H +ATOM 16 HD22 ASN A 1 -5.123 9.345 -0.388 1.00 0.00 H +ATOM 17 N LEU A 2 -5.566 5.065 -1.745 1.00 0.00 N +ATOM 18 CA LEU A 2 -4.705 4.017 -2.308 1.00 0.00 C +ATOM 19 C LEU A 2 -4.063 3.108 -1.244 1.00 0.00 C +ATOM 20 O LEU A 2 -3.570 2.036 -1.587 1.00 0.00 O +ATOM 21 CB LEU A 2 -3.636 4.665 -3.218 1.00 0.00 C +ATOM 22 CG LEU A 2 -3.984 4.537 -4.715 1.00 0.00 C +ATOM 23 CD1 LEU A 2 -3.137 5.490 -5.557 1.00 0.00 C +ATOM 24 CD2 LEU A 2 -3.737 3.110 -5.216 1.00 0.00 C +ATOM 25 H LEU A 2 -5.153 5.991 -1.653 1.00 0.00 H +ATOM 26 HA LEU A 2 -5.332 3.363 -2.913 1.00 0.00 H +ATOM 27 HB2 LEU A 2 -3.557 5.706 -2.970 1.00 0.00 H +ATOM 28 HB3 LEU A 2 -2.666 4.195 -3.051 1.00 0.00 H +ATOM 29 HG LEU A 2 -5.035 4.787 -4.864 1.00 0.00 H +ATOM 30 HD11 LEU A 2 -3.377 6.522 -5.297 1.00 0.00 H +ATOM 31 HD12 LEU A 2 -2.077 5.308 -5.382 1.00 0.00 H +ATOM 32 HD13 LEU A 2 -3.356 5.339 -6.615 1.00 0.00 H +ATOM 33 HD21 LEU A 2 -2.687 2.842 -5.096 1.00 0.00 H +ATOM 34 HD22 LEU A 2 -4.350 2.412 -4.658 1.00 0.00 H +ATOM 35 HD23 LEU A 2 -4.007 3.032 -6.270 1.00 0.00 H +ATOM 36 N TYR A 3 -4.102 3.487 0.042 1.00 0.00 N +ATOM 37 CA TYR A 3 -3.503 2.730 1.149 1.00 0.00 C +ATOM 38 C TYR A 3 -3.977 1.265 1.216 1.00 0.00 C +ATOM 39 O TYR A 3 -3.168 0.369 1.448 1.00 0.00 O +ATOM 40 CB TYR A 3 -3.768 3.466 2.474 1.00 0.00 C +ATOM 41 CG TYR A 3 -2.672 3.279 3.509 1.00 0.00 C +ATOM 42 CD1 TYR A 3 -2.536 2.057 4.196 1.00 0.00 C +ATOM 43 CD2 TYR A 3 -1.783 4.339 3.784 1.00 0.00 C +ATOM 44 CE1 TYR A 3 -1.523 1.895 5.162 1.00 0.00 C +ATOM 45 CE2 TYR A 3 -0.765 4.177 4.741 1.00 0.00 C +ATOM 46 CZ TYR A 3 -0.640 2.961 5.441 1.00 0.00 C +ATOM 47 OH TYR A 3 0.309 2.837 6.407 1.00 0.00 O +ATOM 48 H TYR A 3 -4.453 4.414 0.232 1.00 0.00 H +ATOM 49 HA TYR A 3 -2.424 2.713 0.990 1.00 0.00 H +ATOM 50 HB2 TYR A 3 -3.861 4.514 2.266 1.00 0.00 H +ATOM 51 HB3 TYR A 3 -4.720 3.136 2.894 1.00 0.00 H +ATOM 52 HD1 TYR A 3 -3.211 1.241 3.988 1.00 0.00 H +ATOM 53 HD2 TYR A 3 -1.890 5.287 3.275 1.00 0.00 H +ATOM 54 HE1 TYR A 3 -1.418 0.959 5.689 1.00 0.00 H +ATOM 55 HE2 TYR A 3 -0.083 4.982 4.975 1.00 0.00 H +ATOM 56 HH TYR A 3 0.037 2.243 7.107 1.00 0.00 H +ATOM 57 N ILE A 4 -5.269 1.004 0.959 1.00 0.00 N +ATOM 58 CA ILE A 4 -5.833 -0.356 0.888 1.00 0.00 C +ATOM 59 C ILE A 4 -5.161 -1.164 -0.238 1.00 0.00 C +ATOM 60 O ILE A 4 -4.772 -2.318 -0.049 1.00 0.00 O +ATOM 61 CB ILE A 4 -7.371 -0.313 0.696 1.00 0.00 C +ATOM 62 CG1 ILE A 4 -8.110 0.552 1.752 1.00 0.00 C +ATOM 63 CG2 ILE A 4 -7.954 -1.737 0.753 1.00 0.00 C +ATOM 64 CD1 ILE A 4 -8.509 1.938 1.232 1.00 0.00 C +ATOM 65 H ILE A 4 -5.872 1.790 0.762 1.00 0.00 H +ATOM 66 HA ILE A 4 -5.619 -0.864 1.831 1.00 0.00 H +ATOM 67 HB ILE A 4 -7.587 0.085 -0.297 1.00 0.00 H +ATOM 68 HG12 ILE A 4 -8.999 0.033 2.055 1.00 0.00 H +ATOM 69 HG13 ILE A 4 -7.496 0.664 2.647 1.00 0.00 H +ATOM 70 HG21 ILE A 4 -7.517 -2.368 -0.021 1.00 0.00 H +ATOM 71 HG22 ILE A 4 -7.761 -2.183 1.729 1.00 0.00 H +ATOM 72 HG23 ILE A 4 -9.031 -1.704 0.581 1.00 0.00 H +ATOM 73 HD11 ILE A 4 -7.626 2.563 1.121 1.00 0.00 H +ATOM 74 HD12 ILE A 4 -9.024 1.846 0.274 1.00 0.00 H +ATOM 75 HD13 ILE A 4 -9.188 2.410 1.945 1.00 0.00 H +ATOM 76 N GLN A 5 -5.003 -0.544 -1.411 1.00 0.00 N +ATOM 77 CA GLN A 5 -4.375 -1.125 -2.597 1.00 0.00 C +ATOM 78 C GLN A 5 -2.869 -1.353 -2.405 1.00 0.00 C +ATOM 79 O GLN A 5 -2.354 -2.357 -2.886 1.00 0.00 O +ATOM 80 CB GLN A 5 -4.661 -0.216 -3.809 1.00 0.00 C +ATOM 81 CG GLN A 5 -5.379 -0.927 -4.966 1.00 0.00 C +ATOM 82 CD GLN A 5 -4.417 -1.485 -6.011 1.00 0.00 C +ATOM 83 OE1 GLN A 5 -4.226 -0.906 -7.068 1.00 0.00 O +ATOM 84 NE2 GLN A 5 -3.781 -2.614 -5.772 1.00 0.00 N +ATOM 85 H GLN A 5 -5.256 0.433 -1.455 1.00 0.00 H +ATOM 86 HA GLN A 5 -4.826 -2.102 -2.768 1.00 0.00 H +ATOM 87 HB2 GLN A 5 -5.275 0.600 -3.481 1.00 0.00 H +ATOM 88 HB3 GLN A 5 -3.731 0.222 -4.174 1.00 0.00 H +ATOM 89 HG2 GLN A 5 -5.955 -1.738 -4.564 1.00 0.00 H +ATOM 90 HG3 GLN A 5 -6.017 -0.197 -5.466 1.00 0.00 H +ATOM 91 HE21 GLN A 5 -3.799 -3.091 -4.886 1.00 0.00 H +ATOM 92 HE22 GLN A 5 -3.166 -2.885 -6.520 1.00 0.00 H +ATOM 93 N TRP A 6 -2.181 -0.471 -1.666 1.00 0.00 N +ATOM 94 CA TRP A 6 -0.803 -0.688 -1.216 1.00 0.00 C +ATOM 95 C TRP A 6 -0.702 -1.871 -0.236 1.00 0.00 C +ATOM 96 O TRP A 6 0.137 -2.753 -0.420 1.00 0.00 O +ATOM 97 CB TRP A 6 -0.253 0.612 -0.609 1.00 0.00 C +ATOM 98 CG TRP A 6 1.148 0.524 -0.079 1.00 0.00 C +ATOM 99 CD1 TRP A 6 2.275 0.502 -0.828 1.00 0.00 C +ATOM 100 CD2 TRP A 6 1.590 0.428 1.311 1.00 0.00 C +ATOM 101 NE1 TRP A 6 3.377 0.391 0.000 1.00 0.00 N +ATOM 102 CE2 TRP A 6 3.013 0.346 1.324 1.00 0.00 C +ATOM 103 CE3 TRP A 6 0.937 0.410 2.563 1.00 0.00 C +ATOM 104 CZ2 TRP A 6 3.756 0.265 2.509 1.00 0.00 C +ATOM 105 CZ3 TRP A 6 1.672 0.321 3.762 1.00 0.00 C +ATOM 106 CH2 TRP A 6 3.077 0.254 3.738 1.00 0.00 C +ATOM 107 H TRP A 6 -2.666 0.378 -1.389 1.00 0.00 H +ATOM 108 HA TRP A 6 -0.189 -0.942 -2.080 1.00 0.00 H +ATOM 109 HB2 TRP A 6 -0.274 1.369 -1.369 1.00 0.00 H +ATOM 110 HB3 TRP A 6 -0.902 0.932 0.205 1.00 0.00 H +ATOM 111 HD1 TRP A 6 2.303 0.552 -1.909 1.00 0.00 H +ATOM 112 HE1 TRP A 6 4.354 0.366 -0.301 1.00 0.00 H +ATOM 113 HE3 TRP A 6 -0.141 0.482 2.594 1.00 0.00 H +ATOM 114 HZ2 TRP A 6 4.833 0.212 2.461 1.00 0.00 H +ATOM 115 HZ3 TRP A 6 1.154 0.320 4.711 1.00 0.00 H +ATOM 116 HH2 TRP A 6 3.633 0.202 4.663 1.00 0.00 H +ATOM 117 N LEU A 7 -1.584 -1.939 0.773 1.00 0.00 N +ATOM 118 CA LEU A 7 -1.618 -3.061 1.719 1.00 0.00 C +ATOM 119 C LEU A 7 -1.896 -4.418 1.055 1.00 0.00 C +ATOM 120 O LEU A 7 -1.383 -5.420 1.551 1.00 0.00 O +ATOM 121 CB LEU A 7 -2.638 -2.803 2.843 1.00 0.00 C +ATOM 122 CG LEU A 7 -2.158 -1.828 3.935 1.00 0.00 C +ATOM 123 CD1 LEU A 7 -3.332 -1.509 4.865 1.00 0.00 C +ATOM 124 CD2 LEU A 7 -1.029 -2.411 4.793 1.00 0.00 C +ATOM 125 H LEU A 7 -2.238 -1.169 0.902 1.00 0.00 H +ATOM 126 HA LEU A 7 -0.625 -3.152 2.159 1.00 0.00 H +ATOM 127 HB2 LEU A 7 -3.528 -2.398 2.401 1.00 0.00 H +ATOM 128 HB3 LEU A 7 -2.875 -3.753 3.326 1.00 0.00 H +ATOM 129 HG LEU A 7 -1.813 -0.903 3.475 1.00 0.00 H +ATOM 130 HD11 LEU A 7 -4.138 -1.046 4.295 1.00 0.00 H +ATOM 131 HD12 LEU A 7 -3.701 -2.424 5.328 1.00 0.00 H +ATOM 132 HD13 LEU A 7 -3.014 -0.822 5.647 1.00 0.00 H +ATOM 133 HD21 LEU A 7 -1.366 -3.322 5.290 1.00 0.00 H +ATOM 134 HD22 LEU A 7 -0.162 -2.644 4.181 1.00 0.00 H +ATOM 135 HD23 LEU A 7 -0.726 -1.685 5.547 1.00 0.00 H +ATOM 136 N LYS A 8 -2.649 -4.469 -0.060 1.00 0.00 N +ATOM 137 CA LYS A 8 -2.926 -5.712 -0.805 1.00 0.00 C +ATOM 138 C LYS A 8 -1.673 -6.493 -1.213 1.00 0.00 C +ATOM 139 O LYS A 8 -1.747 -7.718 -1.261 1.00 0.00 O +ATOM 140 CB LYS A 8 -3.745 -5.435 -2.077 1.00 0.00 C +ATOM 141 CG LYS A 8 -5.245 -5.187 -1.834 1.00 0.00 C +ATOM 142 CD LYS A 8 -6.112 -6.160 -2.652 1.00 0.00 C +ATOM 143 CE LYS A 8 -6.013 -7.607 -2.144 1.00 0.00 C +ATOM 144 NZ LYS A 8 -6.775 -7.803 -0.889 1.00 0.00 N +ATOM 145 H LYS A 8 -3.091 -3.603 -0.351 1.00 0.00 H +ATOM 146 HA LYS A 8 -3.486 -6.385 -0.157 1.00 0.00 H +ATOM 147 HB2 LYS A 8 -3.336 -4.566 -2.556 1.00 0.00 H +ATOM 148 HB3 LYS A 8 -3.629 -6.287 -2.748 1.00 0.00 H +ATOM 149 HG2 LYS A 8 -5.457 -5.322 -0.791 1.00 0.00 H +ATOM 150 HG3 LYS A 8 -5.483 -4.171 -2.145 1.00 0.00 H +ATOM 151 HD2 LYS A 8 -7.135 -5.843 -2.591 1.00 0.00 H +ATOM 152 HD3 LYS A 8 -5.787 -6.129 -3.694 1.00 0.00 H +ATOM 153 HE2 LYS A 8 -6.405 -8.266 -2.895 1.00 0.00 H +ATOM 154 HE3 LYS A 8 -4.957 -7.857 -1.989 1.00 0.00 H +ATOM 155 HZ1 LYS A 8 -6.431 -7.175 -0.174 1.00 0.00 H +ATOM 156 HZ2 LYS A 8 -7.755 -7.610 -1.046 1.00 0.00 H +ATOM 157 HZ3 LYS A 8 -6.676 -8.755 -0.564 1.00 0.00 H +ATOM 158 N ASP A 9 -0.575 -5.806 -1.542 1.00 0.00 N +ATOM 159 CA ASP A 9 0.679 -6.439 -1.960 1.00 0.00 C +ATOM 160 C ASP A 9 1.407 -7.073 -0.759 1.00 0.00 C +ATOM 161 O ASP A 9 1.771 -8.246 -0.798 1.00 0.00 O +ATOM 162 CB ASP A 9 1.529 -5.384 -2.684 1.00 0.00 C +ATOM 163 CG ASP A 9 2.629 -6.016 -3.539 1.00 0.00 C +ATOM 164 OD1 ASP A 9 3.661 -6.415 -2.960 1.00 0.00 O +ATOM 165 OD2 ASP A 9 2.415 -6.083 -4.770 1.00 0.00 O +ATOM 166 H ASP A 9 -0.608 -4.796 -1.483 1.00 0.00 H +ATOM 167 HA ASP A 9 0.451 -7.236 -2.670 1.00 0.00 H +ATOM 168 HB2 ASP A 9 0.890 -4.801 -3.319 1.00 0.00 H +ATOM 169 HB3 ASP A 9 1.960 -4.694 -1.962 1.00 0.00 H +ATOM 170 N GLY A 10 1.538 -6.316 0.338 1.00 0.00 N +ATOM 171 CA GLY A 10 2.154 -6.771 1.590 1.00 0.00 C +ATOM 172 C GLY A 10 2.656 -5.655 2.516 1.00 0.00 C +ATOM 173 O GLY A 10 3.600 -5.875 3.278 1.00 0.00 O +ATOM 174 H GLY A 10 1.219 -5.364 0.236 1.00 0.00 H +ATOM 175 HA2 GLY A 10 1.421 -7.360 2.140 1.00 0.00 H +ATOM 176 HA3 GLY A 10 2.998 -7.420 1.354 1.00 0.00 H +ATOM 177 N GLY A 11 2.069 -4.451 2.456 1.00 0.00 N +ATOM 178 CA GLY A 11 2.511 -3.295 3.240 1.00 0.00 C +ATOM 179 C GLY A 11 4.009 -2.997 3.049 1.00 0.00 C +ATOM 180 O GLY A 11 4.473 -2.994 1.904 1.00 0.00 O +ATOM 181 H GLY A 11 1.299 -4.330 1.814 1.00 0.00 H +ATOM 182 HA2 GLY A 11 1.950 -2.415 2.922 1.00 0.00 H +ATOM 183 HA3 GLY A 11 2.285 -3.490 4.287 1.00 0.00 H +ATOM 184 N PRO A 12 4.798 -2.757 4.119 1.00 0.00 N +ATOM 185 CA PRO A 12 6.237 -2.490 4.008 1.00 0.00 C +ATOM 186 C PRO A 12 7.033 -3.579 3.271 1.00 0.00 C +ATOM 187 O PRO A 12 8.035 -3.275 2.626 1.00 0.00 O +ATOM 188 CB PRO A 12 6.745 -2.333 5.447 1.00 0.00 C +ATOM 189 CG PRO A 12 5.496 -1.973 6.248 1.00 0.00 C +ATOM 190 CD PRO A 12 4.382 -2.715 5.512 1.00 0.00 C +ATOM 191 HA PRO A 12 6.371 -1.546 3.479 1.00 0.00 H +ATOM 192 HB2 PRO A 12 7.173 -3.251 5.802 1.00 0.00 H +ATOM 193 HB3 PRO A 12 7.505 -1.553 5.517 1.00 0.00 H +ATOM 194 HG2 PRO A 12 5.579 -2.312 7.263 1.00 0.00 H +ATOM 195 HG3 PRO A 12 5.320 -0.898 6.189 1.00 0.00 H +ATOM 196 HD2 PRO A 12 4.273 -3.709 5.901 1.00 0.00 H +ATOM 197 HD3 PRO A 12 3.437 -2.188 5.641 1.00 0.00 H +ATOM 198 N SER A 13 6.580 -4.841 3.318 1.00 0.00 N +ATOM 199 CA SER A 13 7.226 -5.980 2.655 1.00 0.00 C +ATOM 200 C SER A 13 6.995 -6.022 1.132 1.00 0.00 C +ATOM 201 O SER A 13 7.473 -6.945 0.480 1.00 0.00 O +ATOM 202 CB SER A 13 6.775 -7.286 3.323 1.00 0.00 C +ATOM 203 OG SER A 13 7.214 -7.315 4.671 1.00 0.00 O +ATOM 204 H SER A 13 5.719 -5.035 3.818 1.00 0.00 H +ATOM 205 HA SER A 13 8.303 -5.894 2.797 1.00 0.00 H +ATOM 206 HB2 SER A 13 5.704 -7.348 3.296 1.00 0.00 H +ATOM 207 HB3 SER A 13 7.200 -8.143 2.797 1.00 0.00 H +ATOM 208 HG SER A 13 8.172 -7.390 4.683 1.00 0.00 H +ATOM 209 N SER A 14 6.312 -5.020 0.559 1.00 0.00 N +ATOM 210 CA SER A 14 6.003 -4.909 -0.880 1.00 0.00 C +ATOM 211 C SER A 14 7.153 -4.342 -1.729 1.00 0.00 C +ATOM 212 O SER A 14 7.036 -4.271 -2.950 1.00 0.00 O +ATOM 213 CB SER A 14 4.797 -3.981 -1.103 1.00 0.00 C +ATOM 214 OG SER A 14 3.761 -4.194 -0.169 1.00 0.00 O +ATOM 215 H SER A 14 5.943 -4.308 1.175 1.00 0.00 H +ATOM 216 HA SER A 14 5.743 -5.896 -1.266 1.00 0.00 H +ATOM 217 HB2 SER A 14 5.128 -2.964 -1.021 1.00 0.00 H +ATOM 218 HB3 SER A 14 4.414 -4.137 -2.112 1.00 0.00 H +ATOM 219 HG SER A 14 4.006 -3.709 0.659 1.00 0.00 H +ATOM 220 N GLY A 15 8.240 -3.857 -1.110 1.00 0.00 N +ATOM 221 CA GLY A 15 9.347 -3.207 -1.825 1.00 0.00 C +ATOM 222 C GLY A 15 9.072 -1.761 -2.273 1.00 0.00 C +ATOM 223 O GLY A 15 9.838 -1.222 -3.067 1.00 0.00 O +ATOM 224 H GLY A 15 8.290 -3.959 -0.106 1.00 0.00 H +ATOM 225 HA2 GLY A 15 10.231 -3.198 -1.187 1.00 0.00 H +ATOM 226 HA3 GLY A 15 9.588 -3.789 -2.715 1.00 0.00 H +ATOM 227 N ARG A 16 7.994 -1.127 -1.781 1.00 0.00 N +ATOM 228 CA ARG A 16 7.572 0.231 -2.153 1.00 0.00 C +ATOM 229 C ARG A 16 6.983 0.981 -0.944 1.00 0.00 C +ATOM 230 O ARG A 16 6.181 0.382 -0.224 1.00 0.00 O +ATOM 231 CB ARG A 16 6.533 0.117 -3.285 1.00 0.00 C +ATOM 232 CG ARG A 16 6.200 1.481 -3.901 1.00 0.00 C +ATOM 233 CD ARG A 16 5.147 1.363 -5.008 1.00 0.00 C +ATOM 234 NE ARG A 16 5.045 2.615 -5.780 1.00 0.00 N +ATOM 235 CZ ARG A 16 4.495 3.765 -5.404 1.00 0.00 C +ATOM 236 NH1 ARG A 16 3.939 3.937 -4.225 1.00 0.00 N +ATOM 237 NH2 ARG A 16 4.510 4.784 -6.232 1.00 0.00 N +ATOM 238 H ARG A 16 7.425 -1.634 -1.117 1.00 0.00 H +ATOM 239 HA ARG A 16 8.445 0.765 -2.527 1.00 0.00 H +ATOM 240 HB2 ARG A 16 6.925 -0.523 -4.052 1.00 0.00 H +ATOM 241 HB3 ARG A 16 5.621 -0.343 -2.899 1.00 0.00 H +ATOM 242 HG2 ARG A 16 5.824 2.127 -3.131 1.00 0.00 H +ATOM 243 HG3 ARG A 16 7.111 1.904 -4.324 1.00 0.00 H +ATOM 244 HD2 ARG A 16 5.422 0.565 -5.670 1.00 0.00 H +ATOM 245 HD3 ARG A 16 4.180 1.105 -4.573 1.00 0.00 H +ATOM 246 HE ARG A 16 5.452 2.594 -6.699 1.00 0.00 H +ATOM 247 HH11 ARG A 16 3.987 3.199 -3.541 1.00 0.00 H +ATOM 248 HH12 ARG A 16 3.537 4.819 -3.965 1.00 0.00 H +ATOM 249 HH21 ARG A 16 4.943 4.701 -7.136 1.00 0.00 H +ATOM 250 HH22 ARG A 16 4.103 5.659 -5.956 1.00 0.00 H +ATOM 251 N PRO A 17 7.298 2.279 -0.734 1.00 0.00 N +ATOM 252 CA PRO A 17 6.723 3.073 0.357 1.00 0.00 C +ATOM 253 C PRO A 17 5.203 3.301 0.202 1.00 0.00 C +ATOM 254 O PRO A 17 4.670 3.166 -0.908 1.00 0.00 O +ATOM 255 CB PRO A 17 7.497 4.399 0.343 1.00 0.00 C +ATOM 256 CG PRO A 17 7.943 4.539 -1.109 1.00 0.00 C +ATOM 257 CD PRO A 17 8.231 3.093 -1.505 1.00 0.00 C +ATOM 258 HA PRO A 17 6.912 2.560 1.300 1.00 0.00 H +ATOM 259 HB2 PRO A 17 6.863 5.216 0.629 1.00 0.00 H +ATOM 260 HB3 PRO A 17 8.374 4.317 0.985 1.00 0.00 H +ATOM 261 HG2 PRO A 17 7.164 4.960 -1.715 1.00 0.00 H +ATOM 262 HG3 PRO A 17 8.827 5.172 -1.206 1.00 0.00 H +ATOM 263 HD2 PRO A 17 8.069 2.954 -2.556 1.00 0.00 H +ATOM 264 HD3 PRO A 17 9.253 2.834 -1.225 1.00 0.00 H +ATOM 265 N PRO A 18 4.505 3.662 1.301 1.00 0.00 N +ATOM 266 CA PRO A 18 3.065 3.925 1.293 1.00 0.00 C +ATOM 267 C PRO A 18 2.700 5.218 0.535 1.00 0.00 C +ATOM 268 O PRO A 18 3.563 6.066 0.303 1.00 0.00 O +ATOM 269 CB PRO A 18 2.661 4.003 2.774 1.00 0.00 C +ATOM 270 CG PRO A 18 3.933 4.476 3.472 1.00 0.00 C +ATOM 271 CD PRO A 18 5.039 3.819 2.649 1.00 0.00 C +ATOM 272 HA PRO A 18 2.557 3.083 0.827 1.00 0.00 H +ATOM 273 HB2 PRO A 18 1.863 4.706 2.916 1.00 0.00 H +ATOM 274 HB3 PRO A 18 2.402 3.008 3.132 1.00 0.00 H +ATOM 275 HG2 PRO A 18 4.014 5.546 3.443 1.00 0.00 H +ATOM 276 HG3 PRO A 18 3.962 4.161 4.516 1.00 0.00 H +ATOM 277 HD2 PRO A 18 5.912 4.443 2.633 1.00 0.00 H +ATOM 278 HD3 PRO A 18 5.271 2.838 3.065 1.00 0.00 H +ATOM 279 N PRO A 19 1.420 5.389 0.147 1.00 0.00 N +ATOM 280 CA PRO A 19 0.934 6.590 -0.541 1.00 0.00 C +ATOM 281 C PRO A 19 0.630 7.773 0.396 1.00 0.00 C +ATOM 282 O PRO A 19 0.546 8.904 -0.075 1.00 0.00 O +ATOM 283 CB PRO A 19 -0.347 6.136 -1.247 1.00 0.00 C +ATOM 284 CG PRO A 19 -0.893 5.051 -0.317 1.00 0.00 C +ATOM 285 CD PRO A 19 0.371 4.378 0.209 1.00 0.00 C +ATOM 286 HA PRO A 19 1.659 6.921 -1.282 1.00 0.00 H +ATOM 287 HB2 PRO A 19 -1.043 6.948 -1.342 1.00 0.00 H +ATOM 288 HB3 PRO A 19 -0.093 5.696 -2.212 1.00 0.00 H +ATOM 289 HG2 PRO A 19 -1.462 5.481 0.484 1.00 0.00 H +ATOM 290 HG3 PRO A 19 -1.521 4.344 -0.854 1.00 0.00 H +ATOM 291 HD2 PRO A 19 0.226 4.052 1.221 1.00 0.00 H +ATOM 292 HD3 PRO A 19 0.641 3.547 -0.443 1.00 0.00 H +ATOM 293 N SER A 20 0.436 7.512 1.697 1.00 0.00 N +ATOM 294 CA SER A 20 0.332 8.504 2.776 1.00 0.00 C +ATOM 295 C SER A 20 1.687 8.700 3.451 1.00 0.00 C +ATOM 296 O SER A 20 2.070 9.878 3.606 1.00 0.00 O +ATOM 297 CB SER A 20 -0.673 8.043 3.830 1.00 0.00 C +ATOM 298 OG SER A 20 -1.935 7.948 3.212 1.00 0.00 O +ATOM 299 OXT SER A 20 2.277 7.664 3.828 1.00 0.00 O +ATOM 300 H SER A 20 0.578 6.559 1.993 1.00 0.00 H +ATOM 301 HA SER A 20 0.032 9.475 2.381 1.00 0.00 H +ATOM 302 HB2 SER A 20 -0.383 7.085 4.216 1.00 0.00 H +ATOM 303 HB3 SER A 20 -0.705 8.762 4.652 1.00 0.00 H +ATOM 304 HG SER A 20 -1.800 8.230 2.302 1.00 0.00 H +TER 305 SER A 20 +ENDMDL +MODEL 8 +ATOM 1 N ASN A 1 -8.769 4.941 0.058 1.00 0.00 N +ATOM 2 CA ASN A 1 -8.628 3.743 -0.810 1.00 0.00 C +ATOM 3 C ASN A 1 -7.194 3.417 -1.223 1.00 0.00 C +ATOM 4 O ASN A 1 -6.825 2.255 -1.104 1.00 0.00 O +ATOM 5 CB ASN A 1 -9.576 3.798 -2.012 1.00 0.00 C +ATOM 6 CG ASN A 1 -10.980 3.563 -1.485 1.00 0.00 C +ATOM 7 OD1 ASN A 1 -11.581 4.475 -0.943 1.00 0.00 O +ATOM 8 ND2 ASN A 1 -11.465 2.335 -1.495 1.00 0.00 N +ATOM 9 H1 ASN A 1 -8.177 4.864 0.873 1.00 0.00 H +ATOM 10 H2 ASN A 1 -8.539 5.782 -0.450 1.00 0.00 H +ATOM 11 H3 ASN A 1 -9.736 5.016 0.359 1.00 0.00 H +ATOM 12 HA ASN A 1 -8.940 2.881 -0.218 1.00 0.00 H +ATOM 13 HB2 ASN A 1 -9.516 4.760 -2.484 1.00 0.00 H +ATOM 14 HB3 ASN A 1 -9.322 3.021 -2.735 1.00 0.00 H +ATOM 15 HD21 ASN A 1 -10.980 1.548 -1.895 1.00 0.00 H +ATOM 16 HD22 ASN A 1 -12.387 2.236 -1.101 1.00 0.00 H +ATOM 17 N LEU A 2 -6.386 4.385 -1.677 1.00 0.00 N +ATOM 18 CA LEU A 2 -4.979 4.182 -2.071 1.00 0.00 C +ATOM 19 C LEU A 2 -4.170 3.301 -1.091 1.00 0.00 C +ATOM 20 O LEU A 2 -3.510 2.351 -1.513 1.00 0.00 O +ATOM 21 CB LEU A 2 -4.298 5.547 -2.330 1.00 0.00 C +ATOM 22 CG LEU A 2 -4.562 6.652 -1.277 1.00 0.00 C +ATOM 23 CD1 LEU A 2 -3.311 7.480 -1.001 1.00 0.00 C +ATOM 24 CD2 LEU A 2 -5.661 7.624 -1.728 1.00 0.00 C +ATOM 25 H LEU A 2 -6.742 5.314 -1.830 1.00 0.00 H +ATOM 26 HA LEU A 2 -4.973 3.640 -3.018 1.00 0.00 H +ATOM 27 HB2 LEU A 2 -3.239 5.382 -2.373 1.00 0.00 H +ATOM 28 HB3 LEU A 2 -4.613 5.914 -3.308 1.00 0.00 H +ATOM 29 HG LEU A 2 -4.870 6.194 -0.336 1.00 0.00 H +ATOM 30 HD11 LEU A 2 -2.556 6.855 -0.534 1.00 0.00 H +ATOM 31 HD12 LEU A 2 -2.907 7.891 -1.928 1.00 0.00 H +ATOM 32 HD13 LEU A 2 -3.544 8.302 -0.323 1.00 0.00 H +ATOM 33 HD21 LEU A 2 -5.277 8.270 -2.519 1.00 0.00 H +ATOM 34 HD22 LEU A 2 -6.532 7.099 -2.108 1.00 0.00 H +ATOM 35 HD23 LEU A 2 -5.957 8.251 -0.887 1.00 0.00 H +ATOM 36 N TYR A 3 -4.272 3.566 0.214 1.00 0.00 N +ATOM 37 CA TYR A 3 -3.591 2.791 1.257 1.00 0.00 C +ATOM 38 C TYR A 3 -4.035 1.316 1.320 1.00 0.00 C +ATOM 39 O TYR A 3 -3.216 0.439 1.587 1.00 0.00 O +ATOM 40 CB TYR A 3 -3.809 3.489 2.607 1.00 0.00 C +ATOM 41 CG TYR A 3 -2.680 3.265 3.592 1.00 0.00 C +ATOM 42 CD1 TYR A 3 -2.635 2.094 4.373 1.00 0.00 C +ATOM 43 CD2 TYR A 3 -1.676 4.243 3.732 1.00 0.00 C +ATOM 44 CE1 TYR A 3 -1.601 1.916 5.312 1.00 0.00 C +ATOM 45 CE2 TYR A 3 -0.650 4.078 4.679 1.00 0.00 C +ATOM 46 CZ TYR A 3 -0.618 2.916 5.478 1.00 0.00 C +ATOM 47 OH TYR A 3 0.344 2.765 6.428 1.00 0.00 O +ATOM 48 H TYR A 3 -4.793 4.381 0.493 1.00 0.00 H +ATOM 49 HA TYR A 3 -2.522 2.805 1.039 1.00 0.00 H +ATOM 50 HB2 TYR A 3 -3.904 4.544 2.433 1.00 0.00 H +ATOM 51 HB3 TYR A 3 -4.748 3.153 3.047 1.00 0.00 H +ATOM 52 HD1 TYR A 3 -3.397 1.337 4.260 1.00 0.00 H +ATOM 53 HD2 TYR A 3 -1.691 5.139 3.130 1.00 0.00 H +ATOM 54 HE1 TYR A 3 -1.558 1.031 5.929 1.00 0.00 H +ATOM 55 HE2 TYR A 3 0.099 4.851 4.791 1.00 0.00 H +ATOM 56 HH TYR A 3 0.794 3.595 6.593 1.00 0.00 H +ATOM 57 N ILE A 4 -5.312 1.025 1.029 1.00 0.00 N +ATOM 58 CA ILE A 4 -5.855 -0.341 0.979 1.00 0.00 C +ATOM 59 C ILE A 4 -5.188 -1.123 -0.163 1.00 0.00 C +ATOM 60 O ILE A 4 -4.740 -2.254 0.031 1.00 0.00 O +ATOM 61 CB ILE A 4 -7.398 -0.328 0.820 1.00 0.00 C +ATOM 62 CG1 ILE A 4 -8.143 0.621 1.794 1.00 0.00 C +ATOM 63 CG2 ILE A 4 -7.976 -1.749 0.938 1.00 0.00 C +ATOM 64 CD1 ILE A 4 -7.792 0.462 3.281 1.00 0.00 C +ATOM 65 H ILE A 4 -5.901 1.775 0.693 1.00 0.00 H +ATOM 66 HA ILE A 4 -5.609 -0.846 1.915 1.00 0.00 H +ATOM 67 HB ILE A 4 -7.635 0.015 -0.186 1.00 0.00 H +ATOM 68 HG12 ILE A 4 -7.917 1.630 1.508 1.00 0.00 H +ATOM 69 HG13 ILE A 4 -9.215 0.465 1.676 1.00 0.00 H +ATOM 70 HG21 ILE A 4 -7.579 -2.387 0.147 1.00 0.00 H +ATOM 71 HG22 ILE A 4 -7.724 -2.190 1.903 1.00 0.00 H +ATOM 72 HG23 ILE A 4 -9.062 -1.721 0.834 1.00 0.00 H +ATOM 73 HD11 ILE A 4 -7.711 -0.590 3.551 1.00 0.00 H +ATOM 74 HD12 ILE A 4 -6.848 0.965 3.496 1.00 0.00 H +ATOM 75 HD13 ILE A 4 -8.578 0.918 3.885 1.00 0.00 H +ATOM 76 N GLN A 5 -5.075 -0.498 -1.343 1.00 0.00 N +ATOM 77 CA GLN A 5 -4.362 -1.071 -2.489 1.00 0.00 C +ATOM 78 C GLN A 5 -2.867 -1.283 -2.198 1.00 0.00 C +ATOM 79 O GLN A 5 -2.320 -2.311 -2.590 1.00 0.00 O +ATOM 80 CB GLN A 5 -4.555 -0.198 -3.737 1.00 0.00 C +ATOM 81 CG GLN A 5 -5.995 -0.248 -4.266 1.00 0.00 C +ATOM 82 CD GLN A 5 -6.126 0.517 -5.579 1.00 0.00 C +ATOM 83 OE1 GLN A 5 -5.978 -0.031 -6.658 1.00 0.00 O +ATOM 84 NE2 GLN A 5 -6.401 1.806 -5.540 1.00 0.00 N +ATOM 85 H GLN A 5 -5.445 0.441 -1.413 1.00 0.00 H +ATOM 86 HA GLN A 5 -4.782 -2.057 -2.696 1.00 0.00 H +ATOM 87 HB2 GLN A 5 -4.314 0.818 -3.488 1.00 0.00 H +ATOM 88 HB3 GLN A 5 -3.891 -0.565 -4.522 1.00 0.00 H +ATOM 89 HG2 GLN A 5 -6.273 -1.272 -4.428 1.00 0.00 H +ATOM 90 HG3 GLN A 5 -6.680 0.175 -3.530 1.00 0.00 H +ATOM 91 HE21 GLN A 5 -6.520 2.309 -4.682 1.00 0.00 H +ATOM 92 HE22 GLN A 5 -6.457 2.229 -6.452 1.00 0.00 H +ATOM 93 N TRP A 6 -2.207 -0.362 -1.483 1.00 0.00 N +ATOM 94 CA TRP A 6 -0.824 -0.567 -1.033 1.00 0.00 C +ATOM 95 C TRP A 6 -0.685 -1.753 -0.064 1.00 0.00 C +ATOM 96 O TRP A 6 0.203 -2.588 -0.244 1.00 0.00 O +ATOM 97 CB TRP A 6 -0.276 0.722 -0.418 1.00 0.00 C +ATOM 98 CG TRP A 6 1.118 0.612 0.126 1.00 0.00 C +ATOM 99 CD1 TRP A 6 2.254 0.594 -0.609 1.00 0.00 C +ATOM 100 CD2 TRP A 6 1.544 0.501 1.519 1.00 0.00 C +ATOM 101 NE1 TRP A 6 3.347 0.461 0.227 1.00 0.00 N +ATOM 102 CE2 TRP A 6 2.967 0.413 1.548 1.00 0.00 C +ATOM 103 CE3 TRP A 6 0.878 0.488 2.764 1.00 0.00 C +ATOM 104 CZ2 TRP A 6 3.697 0.331 2.741 1.00 0.00 C +ATOM 105 CZ3 TRP A 6 1.600 0.402 3.971 1.00 0.00 C +ATOM 106 CH2 TRP A 6 3.004 0.331 3.961 1.00 0.00 C +ATOM 107 H TRP A 6 -2.689 0.503 -1.249 1.00 0.00 H +ATOM 108 HA TRP A 6 -0.214 -0.807 -1.905 1.00 0.00 H +ATOM 109 HB2 TRP A 6 -0.281 1.482 -1.175 1.00 0.00 H +ATOM 110 HB3 TRP A 6 -0.933 1.043 0.389 1.00 0.00 H +ATOM 111 HD1 TRP A 6 2.293 0.681 -1.686 1.00 0.00 H +ATOM 112 HE1 TRP A 6 4.326 0.458 -0.069 1.00 0.00 H +ATOM 113 HE3 TRP A 6 -0.200 0.564 2.787 1.00 0.00 H +ATOM 114 HZ2 TRP A 6 4.776 0.281 2.705 1.00 0.00 H +ATOM 115 HZ3 TRP A 6 1.071 0.411 4.914 1.00 0.00 H +ATOM 116 HH2 TRP A 6 3.548 0.291 4.893 1.00 0.00 H +ATOM 117 N LEU A 7 -1.580 -1.874 0.927 1.00 0.00 N +ATOM 118 CA LEU A 7 -1.599 -3.031 1.829 1.00 0.00 C +ATOM 119 C LEU A 7 -1.786 -4.356 1.073 1.00 0.00 C +ATOM 120 O LEU A 7 -1.124 -5.333 1.422 1.00 0.00 O +ATOM 121 CB LEU A 7 -2.674 -2.852 2.916 1.00 0.00 C +ATOM 122 CG LEU A 7 -2.324 -1.798 3.986 1.00 0.00 C +ATOM 123 CD1 LEU A 7 -3.552 -1.544 4.867 1.00 0.00 C +ATOM 124 CD2 LEU A 7 -1.168 -2.243 4.890 1.00 0.00 C +ATOM 125 H LEU A 7 -2.270 -1.136 1.054 1.00 0.00 H +ATOM 126 HA LEU A 7 -0.625 -3.099 2.308 1.00 0.00 H +ATOM 127 HB2 LEU A 7 -3.588 -2.556 2.439 1.00 0.00 H +ATOM 128 HB3 LEU A 7 -2.827 -3.808 3.419 1.00 0.00 H +ATOM 129 HG LEU A 7 -2.045 -0.863 3.506 1.00 0.00 H +ATOM 130 HD11 LEU A 7 -4.374 -1.176 4.252 1.00 0.00 H +ATOM 131 HD12 LEU A 7 -3.856 -2.467 5.361 1.00 0.00 H +ATOM 132 HD13 LEU A 7 -3.318 -0.796 5.624 1.00 0.00 H +ATOM 133 HD21 LEU A 7 -1.414 -3.187 5.378 1.00 0.00 H +ATOM 134 HD22 LEU A 7 -0.257 -2.363 4.309 1.00 0.00 H +ATOM 135 HD23 LEU A 7 -0.985 -1.485 5.652 1.00 0.00 H +ATOM 136 N LYS A 8 -2.609 -4.385 0.009 1.00 0.00 N +ATOM 137 CA LYS A 8 -2.835 -5.565 -0.847 1.00 0.00 C +ATOM 138 C LYS A 8 -1.558 -6.137 -1.482 1.00 0.00 C +ATOM 139 O LYS A 8 -1.510 -7.335 -1.746 1.00 0.00 O +ATOM 140 CB LYS A 8 -3.872 -5.210 -1.927 1.00 0.00 C +ATOM 141 CG LYS A 8 -4.472 -6.419 -2.672 1.00 0.00 C +ATOM 142 CD LYS A 8 -3.967 -6.562 -4.118 1.00 0.00 C +ATOM 143 CE LYS A 8 -4.912 -7.488 -4.895 1.00 0.00 C +ATOM 144 NZ LYS A 8 -4.381 -7.814 -6.240 1.00 0.00 N +ATOM 145 H LYS A 8 -3.146 -3.541 -0.174 1.00 0.00 H +ATOM 146 HA LYS A 8 -3.247 -6.357 -0.218 1.00 0.00 H +ATOM 147 HB2 LYS A 8 -4.675 -4.677 -1.456 1.00 0.00 H +ATOM 148 HB3 LYS A 8 -3.417 -4.531 -2.647 1.00 0.00 H +ATOM 149 HG2 LYS A 8 -4.216 -7.311 -2.133 1.00 0.00 H +ATOM 150 HG3 LYS A 8 -5.554 -6.284 -2.697 1.00 0.00 H +ATOM 151 HD2 LYS A 8 -3.944 -5.597 -4.587 1.00 0.00 H +ATOM 152 HD3 LYS A 8 -2.954 -6.968 -4.111 1.00 0.00 H +ATOM 153 HE2 LYS A 8 -5.039 -8.398 -4.342 1.00 0.00 H +ATOM 154 HE3 LYS A 8 -5.879 -6.986 -4.990 1.00 0.00 H +ATOM 155 HZ1 LYS A 8 -4.156 -6.967 -6.745 1.00 0.00 H +ATOM 156 HZ2 LYS A 8 -3.540 -8.372 -6.153 1.00 0.00 H +ATOM 157 HZ3 LYS A 8 -5.066 -8.339 -6.770 1.00 0.00 H +ATOM 158 N ASP A 9 -0.531 -5.310 -1.709 1.00 0.00 N +ATOM 159 CA ASP A 9 0.782 -5.753 -2.199 1.00 0.00 C +ATOM 160 C ASP A 9 1.608 -6.478 -1.111 1.00 0.00 C +ATOM 161 O ASP A 9 2.514 -7.238 -1.445 1.00 0.00 O +ATOM 162 CB ASP A 9 1.552 -4.536 -2.756 1.00 0.00 C +ATOM 163 CG ASP A 9 2.243 -4.819 -4.098 1.00 0.00 C +ATOM 164 OD1 ASP A 9 1.520 -4.894 -5.114 1.00 0.00 O +ATOM 165 OD2 ASP A 9 3.496 -4.834 -4.151 1.00 0.00 O +ATOM 166 H ASP A 9 -0.652 -4.327 -1.493 1.00 0.00 H +ATOM 167 HA ASP A 9 0.624 -6.460 -3.016 1.00 0.00 H +ATOM 168 HB2 ASP A 9 0.860 -3.728 -2.893 1.00 0.00 H +ATOM 169 HB3 ASP A 9 2.281 -4.194 -2.021 1.00 0.00 H +ATOM 170 N GLY A 10 1.277 -6.270 0.176 1.00 0.00 N +ATOM 171 CA GLY A 10 2.025 -6.755 1.345 1.00 0.00 C +ATOM 172 C GLY A 10 2.511 -5.652 2.302 1.00 0.00 C +ATOM 173 O GLY A 10 3.330 -5.927 3.184 1.00 0.00 O +ATOM 174 H GLY A 10 0.421 -5.751 0.355 1.00 0.00 H +ATOM 175 HA2 GLY A 10 1.382 -7.428 1.912 1.00 0.00 H +ATOM 176 HA3 GLY A 10 2.898 -7.318 1.016 1.00 0.00 H +ATOM 177 N GLY A 11 2.061 -4.397 2.131 1.00 0.00 N +ATOM 178 CA GLY A 11 2.503 -3.261 2.946 1.00 0.00 C +ATOM 179 C GLY A 11 4.031 -3.074 2.887 1.00 0.00 C +ATOM 180 O GLY A 11 4.595 -3.162 1.791 1.00 0.00 O +ATOM 181 H GLY A 11 1.442 -4.219 1.351 1.00 0.00 H +ATOM 182 HA2 GLY A 11 2.030 -2.351 2.579 1.00 0.00 H +ATOM 183 HA3 GLY A 11 2.173 -3.433 3.969 1.00 0.00 H +ATOM 184 N PRO A 12 4.729 -2.844 4.022 1.00 0.00 N +ATOM 185 CA PRO A 12 6.186 -2.657 4.057 1.00 0.00 C +ATOM 186 C PRO A 12 7.000 -3.804 3.440 1.00 0.00 C +ATOM 187 O PRO A 12 8.098 -3.571 2.938 1.00 0.00 O +ATOM 188 CB PRO A 12 6.560 -2.503 5.537 1.00 0.00 C +ATOM 189 CG PRO A 12 5.258 -2.091 6.219 1.00 0.00 C +ATOM 190 CD PRO A 12 4.187 -2.773 5.373 1.00 0.00 C +ATOM 191 HA PRO A 12 6.428 -1.733 3.531 1.00 0.00 H +ATOM 192 HB2 PRO A 12 6.920 -3.432 5.936 1.00 0.00 H +ATOM 193 HB3 PRO A 12 7.339 -1.752 5.678 1.00 0.00 H +ATOM 194 HG2 PRO A 12 5.228 -2.441 7.233 1.00 0.00 H +ATOM 195 HG3 PRO A 12 5.143 -1.008 6.161 1.00 0.00 H +ATOM 196 HD2 PRO A 12 3.987 -3.759 5.747 1.00 0.00 H +ATOM 197 HD3 PRO A 12 3.262 -2.198 5.412 1.00 0.00 H +ATOM 198 N SER A 13 6.470 -5.035 3.441 1.00 0.00 N +ATOM 199 CA SER A 13 7.162 -6.235 2.936 1.00 0.00 C +ATOM 200 C SER A 13 7.153 -6.352 1.402 1.00 0.00 C +ATOM 201 O SER A 13 7.495 -7.398 0.861 1.00 0.00 O +ATOM 202 CB SER A 13 6.574 -7.490 3.595 1.00 0.00 C +ATOM 203 OG SER A 13 6.813 -7.451 4.988 1.00 0.00 O +ATOM 204 H SER A 13 5.505 -5.137 3.737 1.00 0.00 H +ATOM 205 HA SER A 13 8.211 -6.179 3.232 1.00 0.00 H +ATOM 206 HB2 SER A 13 5.517 -7.526 3.415 1.00 0.00 H +ATOM 207 HB3 SER A 13 7.054 -8.380 3.187 1.00 0.00 H +ATOM 208 HG SER A 13 6.443 -6.640 5.343 1.00 0.00 H +ATOM 209 N SER A 14 6.767 -5.279 0.701 1.00 0.00 N +ATOM 210 CA SER A 14 6.504 -5.245 -0.744 1.00 0.00 C +ATOM 211 C SER A 14 7.583 -4.513 -1.556 1.00 0.00 C +ATOM 212 O SER A 14 7.477 -4.434 -2.776 1.00 0.00 O +ATOM 213 CB SER A 14 5.171 -4.534 -0.999 1.00 0.00 C +ATOM 214 OG SER A 14 4.177 -4.877 -0.070 1.00 0.00 O +ATOM 215 H SER A 14 6.484 -4.475 1.245 1.00 0.00 H +ATOM 216 HA SER A 14 6.420 -6.264 -1.123 1.00 0.00 H +ATOM 217 HB2 SER A 14 5.334 -3.475 -0.949 1.00 0.00 H +ATOM 218 HB3 SER A 14 4.831 -4.746 -2.011 1.00 0.00 H +ATOM 219 HG SER A 14 4.259 -4.235 0.675 1.00 0.00 H +ATOM 220 N GLY A 15 8.589 -3.916 -0.899 1.00 0.00 N +ATOM 221 CA GLY A 15 9.628 -3.120 -1.568 1.00 0.00 C +ATOM 222 C GLY A 15 9.147 -1.769 -2.127 1.00 0.00 C +ATOM 223 O GLY A 15 9.811 -1.210 -2.995 1.00 0.00 O +ATOM 224 H GLY A 15 8.637 -4.053 0.102 1.00 0.00 H +ATOM 225 HA2 GLY A 15 10.434 -2.923 -0.862 1.00 0.00 H +ATOM 226 HA3 GLY A 15 10.042 -3.698 -2.394 1.00 0.00 H +ATOM 227 N ARG A 16 8.006 -1.245 -1.647 1.00 0.00 N +ATOM 228 CA ARG A 16 7.372 -0.003 -2.121 1.00 0.00 C +ATOM 229 C ARG A 16 6.899 0.883 -0.950 1.00 0.00 C +ATOM 230 O ARG A 16 6.250 0.369 -0.033 1.00 0.00 O +ATOM 231 CB ARG A 16 6.209 -0.320 -3.084 1.00 0.00 C +ATOM 232 CG ARG A 16 5.215 -1.352 -2.526 1.00 0.00 C +ATOM 233 CD ARG A 16 3.904 -1.443 -3.304 1.00 0.00 C +ATOM 234 NE ARG A 16 4.061 -2.274 -4.499 1.00 0.00 N +ATOM 235 CZ ARG A 16 3.904 -1.985 -5.776 1.00 0.00 C +ATOM 236 NH1 ARG A 16 3.635 -0.767 -6.189 1.00 0.00 N +ATOM 237 NH2 ARG A 16 4.003 -2.954 -6.651 1.00 0.00 N +ATOM 238 H ARG A 16 7.548 -1.757 -0.908 1.00 0.00 H +ATOM 239 HA ARG A 16 8.120 0.548 -2.691 1.00 0.00 H +ATOM 240 HB2 ARG A 16 5.677 0.590 -3.285 1.00 0.00 H +ATOM 241 HB3 ARG A 16 6.620 -0.712 -4.017 1.00 0.00 H +ATOM 242 HG2 ARG A 16 5.685 -2.316 -2.545 1.00 0.00 H +ATOM 243 HG3 ARG A 16 4.960 -1.114 -1.497 1.00 0.00 H +ATOM 244 HD2 ARG A 16 3.151 -1.874 -2.673 1.00 0.00 H +ATOM 245 HD3 ARG A 16 3.536 -0.446 -3.542 1.00 0.00 H +ATOM 246 HE ARG A 16 4.127 -3.284 -4.320 1.00 0.00 H +ATOM 247 HH11 ARG A 16 3.507 -0.060 -5.490 1.00 0.00 H +ATOM 248 HH12 ARG A 16 3.473 -0.577 -7.160 1.00 0.00 H +ATOM 249 HH21 ARG A 16 4.040 -3.895 -6.271 1.00 0.00 H +ATOM 250 HH22 ARG A 16 3.899 -2.795 -7.633 1.00 0.00 H +ATOM 251 N PRO A 17 7.166 2.205 -0.969 1.00 0.00 N +ATOM 252 CA PRO A 17 6.727 3.117 0.088 1.00 0.00 C +ATOM 253 C PRO A 17 5.195 3.304 0.088 1.00 0.00 C +ATOM 254 O PRO A 17 4.551 3.043 -0.934 1.00 0.00 O +ATOM 255 CB PRO A 17 7.460 4.433 -0.196 1.00 0.00 C +ATOM 256 CG PRO A 17 7.647 4.418 -1.712 1.00 0.00 C +ATOM 257 CD PRO A 17 7.865 2.938 -2.017 1.00 0.00 C +ATOM 258 HA PRO A 17 7.042 2.728 1.057 1.00 0.00 H +ATOM 259 HB2 PRO A 17 6.869 5.275 0.109 1.00 0.00 H +ATOM 260 HB3 PRO A 17 8.437 4.415 0.288 1.00 0.00 H +ATOM 261 HG2 PRO A 17 6.774 4.790 -2.212 1.00 0.00 H +ATOM 262 HG3 PRO A 17 8.499 5.023 -2.023 1.00 0.00 H +ATOM 263 HD2 PRO A 17 7.459 2.692 -2.979 1.00 0.00 H +ATOM 264 HD3 PRO A 17 8.930 2.705 -1.974 1.00 0.00 H +ATOM 265 N PRO A 18 4.598 3.763 1.206 1.00 0.00 N +ATOM 266 CA PRO A 18 3.160 4.002 1.296 1.00 0.00 C +ATOM 267 C PRO A 18 2.723 5.223 0.459 1.00 0.00 C +ATOM 268 O PRO A 18 3.486 6.180 0.323 1.00 0.00 O +ATOM 269 CB PRO A 18 2.870 4.209 2.786 1.00 0.00 C +ATOM 270 CG PRO A 18 4.187 4.765 3.327 1.00 0.00 C +ATOM 271 CD PRO A 18 5.239 4.048 2.482 1.00 0.00 C +ATOM 272 HA PRO A 18 2.639 3.111 0.954 1.00 0.00 H +ATOM 273 HB2 PRO A 18 2.070 4.910 2.928 1.00 0.00 H +ATOM 274 HB3 PRO A 18 2.665 3.246 3.253 1.00 0.00 H +ATOM 275 HG2 PRO A 18 4.242 5.828 3.190 1.00 0.00 H +ATOM 276 HG3 PRO A 18 4.310 4.556 4.389 1.00 0.00 H +ATOM 277 HD2 PRO A 18 6.095 4.679 2.337 1.00 0.00 H +ATOM 278 HD3 PRO A 18 5.518 3.109 2.962 1.00 0.00 H +ATOM 279 N PRO A 19 1.487 5.223 -0.081 1.00 0.00 N +ATOM 280 CA PRO A 19 0.954 6.306 -0.911 1.00 0.00 C +ATOM 281 C PRO A 19 0.318 7.463 -0.116 1.00 0.00 C +ATOM 282 O PRO A 19 -0.042 8.473 -0.718 1.00 0.00 O +ATOM 283 CB PRO A 19 -0.097 5.617 -1.786 1.00 0.00 C +ATOM 284 CG PRO A 19 -0.667 4.552 -0.849 1.00 0.00 C +ATOM 285 CD PRO A 19 0.572 4.092 -0.088 1.00 0.00 C +ATOM 286 HA PRO A 19 1.738 6.719 -1.548 1.00 0.00 H +ATOM 287 HB2 PRO A 19 -0.857 6.308 -2.094 1.00 0.00 H +ATOM 288 HB3 PRO A 19 0.396 5.133 -2.632 1.00 0.00 H +ATOM 289 HG2 PRO A 19 -1.398 4.970 -0.184 1.00 0.00 H +ATOM 290 HG3 PRO A 19 -1.129 3.736 -1.404 1.00 0.00 H +ATOM 291 HD2 PRO A 19 0.311 3.818 0.916 1.00 0.00 H +ATOM 292 HD3 PRO A 19 1.042 3.271 -0.628 1.00 0.00 H +ATOM 293 N SER A 20 0.154 7.315 1.206 1.00 0.00 N +ATOM 294 CA SER A 20 -0.381 8.320 2.134 1.00 0.00 C +ATOM 295 C SER A 20 0.429 8.296 3.426 1.00 0.00 C +ATOM 296 O SER A 20 0.669 7.163 3.906 1.00 0.00 O +ATOM 297 CB SER A 20 -1.858 8.039 2.425 1.00 0.00 C +ATOM 298 OG SER A 20 -2.535 9.236 2.730 1.00 0.00 O +ATOM 299 OXT SER A 20 0.789 9.398 3.882 1.00 0.00 O +ATOM 300 H SER A 20 0.527 6.490 1.654 1.00 0.00 H +ATOM 301 HA SER A 20 -0.263 9.307 1.688 1.00 0.00 H +ATOM 302 HB2 SER A 20 -2.309 7.588 1.562 1.00 0.00 H +ATOM 303 HB3 SER A 20 -1.945 7.348 3.266 1.00 0.00 H +ATOM 304 HG SER A 20 -1.973 9.971 2.469 1.00 0.00 H +TER 305 SER A 20 +ENDMDL +MODEL 9 +ATOM 1 N ASN A 1 -6.355 7.914 0.576 1.00 0.00 N +ATOM 2 CA ASN A 1 -6.778 6.858 -0.378 1.00 0.00 C +ATOM 3 C ASN A 1 -5.549 6.028 -0.782 1.00 0.00 C +ATOM 4 O ASN A 1 -4.530 6.178 -0.119 1.00 0.00 O +ATOM 5 CB ASN A 1 -7.563 7.460 -1.562 1.00 0.00 C +ATOM 6 CG ASN A 1 -8.448 6.400 -2.211 1.00 0.00 C +ATOM 7 OD1 ASN A 1 -8.022 5.688 -3.104 1.00 0.00 O +ATOM 8 ND2 ASN A 1 -9.658 6.188 -1.730 1.00 0.00 N +ATOM 9 H1 ASN A 1 -5.830 7.486 1.328 1.00 0.00 H +ATOM 10 H2 ASN A 1 -5.742 8.573 0.115 1.00 0.00 H +ATOM 11 H3 ASN A 1 -7.157 8.399 0.955 1.00 0.00 H +ATOM 12 HA ASN A 1 -7.452 6.182 0.150 1.00 0.00 H +ATOM 13 HB2 ASN A 1 -8.178 8.264 -1.206 1.00 0.00 H +ATOM 14 HB3 ASN A 1 -6.872 7.865 -2.304 1.00 0.00 H +ATOM 15 HD21 ASN A 1 -10.087 6.731 -1.001 1.00 0.00 H +ATOM 16 HD22 ASN A 1 -10.166 5.465 -2.217 1.00 0.00 H +ATOM 17 N LEU A 2 -5.630 5.135 -1.783 1.00 0.00 N +ATOM 18 CA LEU A 2 -4.587 4.213 -2.289 1.00 0.00 C +ATOM 19 C LEU A 2 -3.962 3.229 -1.269 1.00 0.00 C +ATOM 20 O LEU A 2 -3.407 2.204 -1.668 1.00 0.00 O +ATOM 21 CB LEU A 2 -3.510 5.015 -3.058 1.00 0.00 C +ATOM 22 CG LEU A 2 -3.772 5.277 -4.555 1.00 0.00 C +ATOM 23 CD1 LEU A 2 -3.748 3.980 -5.372 1.00 0.00 C +ATOM 24 CD2 LEU A 2 -5.076 6.028 -4.834 1.00 0.00 C +ATOM 25 H LEU A 2 -6.497 5.119 -2.318 1.00 0.00 H +ATOM 26 HA LEU A 2 -5.078 3.561 -3.012 1.00 0.00 H +ATOM 27 HB2 LEU A 2 -3.409 5.968 -2.575 1.00 0.00 H +ATOM 28 HB3 LEU A 2 -2.567 4.475 -3.000 1.00 0.00 H +ATOM 29 HG LEU A 2 -2.952 5.903 -4.913 1.00 0.00 H +ATOM 30 HD11 LEU A 2 -2.862 3.397 -5.120 1.00 0.00 H +ATOM 31 HD12 LEU A 2 -4.638 3.385 -5.182 1.00 0.00 H +ATOM 32 HD13 LEU A 2 -3.712 4.225 -6.435 1.00 0.00 H +ATOM 33 HD21 LEU A 2 -5.932 5.392 -4.613 1.00 0.00 H +ATOM 34 HD22 LEU A 2 -5.123 6.933 -4.230 1.00 0.00 H +ATOM 35 HD23 LEU A 2 -5.117 6.307 -5.887 1.00 0.00 H +ATOM 36 N TYR A 3 -4.092 3.484 0.034 1.00 0.00 N +ATOM 37 CA TYR A 3 -3.507 2.707 1.123 1.00 0.00 C +ATOM 38 C TYR A 3 -3.985 1.247 1.144 1.00 0.00 C +ATOM 39 O TYR A 3 -3.180 0.347 1.372 1.00 0.00 O +ATOM 40 CB TYR A 3 -3.807 3.419 2.451 1.00 0.00 C +ATOM 41 CG TYR A 3 -2.696 3.269 3.468 1.00 0.00 C +ATOM 42 CD1 TYR A 3 -2.590 2.095 4.240 1.00 0.00 C +ATOM 43 CD2 TYR A 3 -1.753 4.303 3.625 1.00 0.00 C +ATOM 44 CE1 TYR A 3 -1.550 1.959 5.180 1.00 0.00 C +ATOM 45 CE2 TYR A 3 -0.711 4.172 4.561 1.00 0.00 C +ATOM 46 CZ TYR A 3 -0.611 3.005 5.344 1.00 0.00 C +ATOM 47 OH TYR A 3 0.374 2.911 6.276 1.00 0.00 O +ATOM 48 H TYR A 3 -4.425 4.414 0.259 1.00 0.00 H +ATOM 49 HA TYR A 3 -2.425 2.700 0.981 1.00 0.00 H +ATOM 50 HB2 TYR A 3 -3.951 4.464 2.254 1.00 0.00 H +ATOM 51 HB3 TYR A 3 -4.742 3.045 2.871 1.00 0.00 H +ATOM 52 HD1 TYR A 3 -3.308 1.299 4.106 1.00 0.00 H +ATOM 53 HD2 TYR A 3 -1.821 5.207 3.034 1.00 0.00 H +ATOM 54 HE1 TYR A 3 -1.462 1.059 5.769 1.00 0.00 H +ATOM 55 HE2 TYR A 3 0.006 4.966 4.698 1.00 0.00 H +ATOM 56 HH TYR A 3 0.027 2.663 7.133 1.00 0.00 H +ATOM 57 N ILE A 4 -5.271 0.998 0.853 1.00 0.00 N +ATOM 58 CA ILE A 4 -5.839 -0.354 0.750 1.00 0.00 C +ATOM 59 C ILE A 4 -5.129 -1.160 -0.354 1.00 0.00 C +ATOM 60 O ILE A 4 -4.715 -2.294 -0.121 1.00 0.00 O +ATOM 61 CB ILE A 4 -7.375 -0.317 0.526 1.00 0.00 C +ATOM 62 CG1 ILE A 4 -8.137 0.556 1.557 1.00 0.00 C +ATOM 63 CG2 ILE A 4 -7.940 -1.748 0.590 1.00 0.00 C +ATOM 64 CD1 ILE A 4 -8.425 1.981 1.063 1.00 0.00 C +ATOM 65 H ILE A 4 -5.872 1.793 0.698 1.00 0.00 H +ATOM 66 HA ILE A 4 -5.651 -0.867 1.695 1.00 0.00 H +ATOM 67 HB ILE A 4 -7.576 0.069 -0.474 1.00 0.00 H +ATOM 68 HG12 ILE A 4 -9.072 0.079 1.780 1.00 0.00 H +ATOM 69 HG13 ILE A 4 -7.585 0.601 2.497 1.00 0.00 H +ATOM 70 HG21 ILE A 4 -7.504 -2.371 -0.192 1.00 0.00 H +ATOM 71 HG22 ILE A 4 -7.727 -2.194 1.563 1.00 0.00 H +ATOM 72 HG23 ILE A 4 -9.020 -1.731 0.437 1.00 0.00 H +ATOM 73 HD11 ILE A 4 -7.512 2.575 1.038 1.00 0.00 H +ATOM 74 HD12 ILE A 4 -8.867 1.949 0.066 1.00 0.00 H +ATOM 75 HD13 ILE A 4 -9.137 2.458 1.739 1.00 0.00 H +ATOM 76 N GLN A 5 -4.949 -0.564 -1.544 1.00 0.00 N +ATOM 77 CA GLN A 5 -4.210 -1.179 -2.650 1.00 0.00 C +ATOM 78 C GLN A 5 -2.730 -1.412 -2.309 1.00 0.00 C +ATOM 79 O GLN A 5 -2.180 -2.447 -2.679 1.00 0.00 O +ATOM 80 CB GLN A 5 -4.326 -0.333 -3.929 1.00 0.00 C +ATOM 81 CG GLN A 5 -5.654 -0.555 -4.672 1.00 0.00 C +ATOM 82 CD GLN A 5 -5.597 0.001 -6.097 1.00 0.00 C +ATOM 83 OE1 GLN A 5 -4.724 -0.323 -6.881 1.00 0.00 O +ATOM 84 NE2 GLN A 5 -6.527 0.846 -6.499 1.00 0.00 N +ATOM 85 H GLN A 5 -5.256 0.391 -1.646 1.00 0.00 H +ATOM 86 HA GLN A 5 -4.639 -2.162 -2.849 1.00 0.00 H +ATOM 87 HB2 GLN A 5 -4.251 0.704 -3.662 1.00 0.00 H +ATOM 88 HB3 GLN A 5 -3.512 -0.622 -4.596 1.00 0.00 H +ATOM 89 HG2 GLN A 5 -5.858 -1.608 -4.716 1.00 0.00 H +ATOM 90 HG3 GLN A 5 -6.466 -0.086 -4.117 1.00 0.00 H +ATOM 91 HE21 GLN A 5 -7.297 1.142 -5.929 1.00 0.00 H +ATOM 92 HE22 GLN A 5 -6.409 1.126 -7.459 1.00 0.00 H +ATOM 93 N TRP A 6 -2.081 -0.492 -1.584 1.00 0.00 N +ATOM 94 CA TRP A 6 -0.717 -0.712 -1.094 1.00 0.00 C +ATOM 95 C TRP A 6 -0.634 -1.871 -0.083 1.00 0.00 C +ATOM 96 O TRP A 6 0.235 -2.738 -0.203 1.00 0.00 O +ATOM 97 CB TRP A 6 -0.168 0.595 -0.511 1.00 0.00 C +ATOM 98 CG TRP A 6 1.222 0.490 0.032 1.00 0.00 C +ATOM 99 CD1 TRP A 6 2.356 0.444 -0.705 1.00 0.00 C +ATOM 100 CD2 TRP A 6 1.648 0.375 1.425 1.00 0.00 C +ATOM 101 NE1 TRP A 6 3.446 0.307 0.129 1.00 0.00 N +ATOM 102 CE2 TRP A 6 3.068 0.266 1.450 1.00 0.00 C +ATOM 103 CE3 TRP A 6 0.980 0.360 2.668 1.00 0.00 C +ATOM 104 CZ2 TRP A 6 3.796 0.163 2.643 1.00 0.00 C +ATOM 105 CZ3 TRP A 6 1.699 0.248 3.874 1.00 0.00 C +ATOM 106 CH2 TRP A 6 3.103 0.153 3.864 1.00 0.00 C +ATOM 107 H TRP A 6 -2.567 0.373 -1.361 1.00 0.00 H +ATOM 108 HA TRP A 6 -0.089 -0.993 -1.940 1.00 0.00 H +ATOM 109 HB2 TRP A 6 -0.171 1.336 -1.287 1.00 0.00 H +ATOM 110 HB3 TRP A 6 -0.824 0.933 0.292 1.00 0.00 H +ATOM 111 HD1 TRP A 6 2.407 0.492 -1.782 1.00 0.00 H +ATOM 112 HE1 TRP A 6 4.421 0.258 -0.183 1.00 0.00 H +ATOM 113 HE3 TRP A 6 -0.097 0.448 2.689 1.00 0.00 H +ATOM 114 HZ2 TRP A 6 4.873 0.086 2.605 1.00 0.00 H +ATOM 115 HZ3 TRP A 6 1.170 0.248 4.818 1.00 0.00 H +ATOM 116 HH2 TRP A 6 3.648 0.079 4.793 1.00 0.00 H +ATOM 117 N LEU A 7 -1.559 -1.927 0.884 1.00 0.00 N +ATOM 118 CA LEU A 7 -1.650 -3.030 1.843 1.00 0.00 C +ATOM 119 C LEU A 7 -1.902 -4.384 1.166 1.00 0.00 C +ATOM 120 O LEU A 7 -1.269 -5.361 1.560 1.00 0.00 O +ATOM 121 CB LEU A 7 -2.733 -2.741 2.896 1.00 0.00 C +ATOM 122 CG LEU A 7 -2.320 -1.710 3.964 1.00 0.00 C +ATOM 123 CD1 LEU A 7 -3.516 -1.453 4.886 1.00 0.00 C +ATOM 124 CD2 LEU A 7 -1.139 -2.196 4.813 1.00 0.00 C +ATOM 125 H LEU A 7 -2.231 -1.165 0.952 1.00 0.00 H +ATOM 126 HA LEU A 7 -0.687 -3.126 2.344 1.00 0.00 H +ATOM 127 HB2 LEU A 7 -3.603 -2.370 2.390 1.00 0.00 H +ATOM 128 HB3 LEU A 7 -2.981 -3.673 3.405 1.00 0.00 H +ATOM 129 HG LEU A 7 -2.041 -0.773 3.487 1.00 0.00 H +ATOM 130 HD11 LEU A 7 -4.353 -1.069 4.302 1.00 0.00 H +ATOM 131 HD12 LEU A 7 -3.815 -2.379 5.378 1.00 0.00 H +ATOM 132 HD13 LEU A 7 -3.251 -0.717 5.645 1.00 0.00 H +ATOM 133 HD21 LEU A 7 -1.303 -3.225 5.133 1.00 0.00 H +ATOM 134 HD22 LEU A 7 -0.219 -2.141 4.234 1.00 0.00 H +ATOM 135 HD23 LEU A 7 -1.022 -1.564 5.694 1.00 0.00 H +ATOM 136 N LYS A 8 -2.764 -4.435 0.137 1.00 0.00 N +ATOM 137 CA LYS A 8 -3.064 -5.639 -0.660 1.00 0.00 C +ATOM 138 C LYS A 8 -1.824 -6.358 -1.202 1.00 0.00 C +ATOM 139 O LYS A 8 -1.858 -7.580 -1.310 1.00 0.00 O +ATOM 140 CB LYS A 8 -3.983 -5.265 -1.837 1.00 0.00 C +ATOM 141 CG LYS A 8 -5.484 -5.361 -1.533 1.00 0.00 C +ATOM 142 CD LYS A 8 -5.970 -6.821 -1.519 1.00 0.00 C +ATOM 143 CE LYS A 8 -7.373 -6.934 -2.133 1.00 0.00 C +ATOM 144 NZ LYS A 8 -7.546 -8.214 -2.860 1.00 0.00 N +ATOM 145 H LYS A 8 -3.276 -3.581 -0.075 1.00 0.00 H +ATOM 146 HA LYS A 8 -3.567 -6.365 -0.022 1.00 0.00 H +ATOM 147 HB2 LYS A 8 -3.764 -4.255 -2.124 1.00 0.00 H +ATOM 148 HB3 LYS A 8 -3.765 -5.907 -2.694 1.00 0.00 H +ATOM 149 HG2 LYS A 8 -5.673 -4.922 -0.572 1.00 0.00 H +ATOM 150 HG3 LYS A 8 -6.001 -4.816 -2.323 1.00 0.00 H +ATOM 151 HD2 LYS A 8 -5.288 -7.424 -2.086 1.00 0.00 H +ATOM 152 HD3 LYS A 8 -5.982 -7.196 -0.493 1.00 0.00 H +ATOM 153 HE2 LYS A 8 -8.103 -6.877 -1.348 1.00 0.00 H +ATOM 154 HE3 LYS A 8 -7.516 -6.106 -2.833 1.00 0.00 H +ATOM 155 HZ1 LYS A 8 -6.850 -8.287 -3.593 1.00 0.00 H +ATOM 156 HZ2 LYS A 8 -7.431 -8.996 -2.230 1.00 0.00 H +ATOM 157 HZ3 LYS A 8 -8.463 -8.259 -3.283 1.00 0.00 H +ATOM 158 N ASP A 9 -0.763 -5.623 -1.552 1.00 0.00 N +ATOM 159 CA ASP A 9 0.496 -6.197 -2.043 1.00 0.00 C +ATOM 160 C ASP A 9 1.282 -6.902 -0.920 1.00 0.00 C +ATOM 161 O ASP A 9 1.817 -7.991 -1.121 1.00 0.00 O +ATOM 162 CB ASP A 9 1.321 -5.072 -2.691 1.00 0.00 C +ATOM 163 CG ASP A 9 2.292 -5.605 -3.748 1.00 0.00 C +ATOM 164 OD1 ASP A 9 3.441 -5.927 -3.382 1.00 0.00 O +ATOM 165 OD2 ASP A 9 1.868 -5.659 -4.923 1.00 0.00 O +ATOM 166 H ASP A 9 -0.837 -4.618 -1.476 1.00 0.00 H +ATOM 167 HA ASP A 9 0.265 -6.940 -2.810 1.00 0.00 H +ATOM 168 HB2 ASP A 9 0.651 -4.376 -3.157 1.00 0.00 H +ATOM 169 HB3 ASP A 9 1.866 -4.522 -1.921 1.00 0.00 H +ATOM 170 N GLY A 10 1.295 -6.304 0.280 1.00 0.00 N +ATOM 171 CA GLY A 10 2.040 -6.794 1.445 1.00 0.00 C +ATOM 172 C GLY A 10 2.489 -5.723 2.455 1.00 0.00 C +ATOM 173 O GLY A 10 3.314 -6.013 3.317 1.00 0.00 O +ATOM 174 H GLY A 10 0.707 -5.487 0.357 1.00 0.00 H +ATOM 175 HA2 GLY A 10 1.418 -7.514 1.975 1.00 0.00 H +ATOM 176 HA3 GLY A 10 2.937 -7.314 1.102 1.00 0.00 H +ATOM 177 N GLY A 11 1.982 -4.483 2.376 1.00 0.00 N +ATOM 178 CA GLY A 11 2.428 -3.400 3.257 1.00 0.00 C +ATOM 179 C GLY A 11 3.939 -3.116 3.122 1.00 0.00 C +ATOM 180 O GLY A 11 4.431 -3.017 1.996 1.00 0.00 O +ATOM 181 H GLY A 11 1.270 -4.287 1.690 1.00 0.00 H +ATOM 182 HA2 GLY A 11 1.885 -2.490 3.006 1.00 0.00 H +ATOM 183 HA3 GLY A 11 2.184 -3.679 4.281 1.00 0.00 H +ATOM 184 N PRO A 12 4.698 -2.946 4.226 1.00 0.00 N +ATOM 185 CA PRO A 12 6.130 -2.631 4.172 1.00 0.00 C +ATOM 186 C PRO A 12 7.010 -3.666 3.454 1.00 0.00 C +ATOM 187 O PRO A 12 8.063 -3.297 2.936 1.00 0.00 O +ATOM 188 CB PRO A 12 6.588 -2.475 5.628 1.00 0.00 C +ATOM 189 CG PRO A 12 5.303 -2.191 6.399 1.00 0.00 C +ATOM 190 CD PRO A 12 4.243 -2.957 5.611 1.00 0.00 C +ATOM 191 HA PRO A 12 6.248 -1.673 3.664 1.00 0.00 H +ATOM 192 HB2 PRO A 12 7.051 -3.377 5.980 1.00 0.00 H +ATOM 193 HB3 PRO A 12 7.305 -1.661 5.732 1.00 0.00 H +ATOM 194 HG2 PRO A 12 5.371 -2.555 7.406 1.00 0.00 H +ATOM 195 HG3 PRO A 12 5.086 -1.123 6.366 1.00 0.00 H +ATOM 196 HD2 PRO A 12 4.164 -3.965 5.971 1.00 0.00 H +ATOM 197 HD3 PRO A 12 3.275 -2.469 5.727 1.00 0.00 H +ATOM 198 N SER A 13 6.616 -4.948 3.398 1.00 0.00 N +ATOM 199 CA SER A 13 7.425 -6.010 2.779 1.00 0.00 C +ATOM 200 C SER A 13 7.282 -6.083 1.247 1.00 0.00 C +ATOM 201 O SER A 13 7.825 -6.993 0.624 1.00 0.00 O +ATOM 202 CB SER A 13 7.160 -7.358 3.464 1.00 0.00 C +ATOM 203 OG SER A 13 5.803 -7.725 3.370 1.00 0.00 O +ATOM 204 H SER A 13 5.705 -5.222 3.755 1.00 0.00 H +ATOM 205 HA SER A 13 8.474 -5.782 2.964 1.00 0.00 H +ATOM 206 HB2 SER A 13 7.759 -8.113 2.992 1.00 0.00 H +ATOM 207 HB3 SER A 13 7.430 -7.277 4.519 1.00 0.00 H +ATOM 208 HG SER A 13 5.735 -8.681 3.298 1.00 0.00 H +ATOM 209 N SER A 14 6.606 -5.101 0.635 1.00 0.00 N +ATOM 210 CA SER A 14 6.348 -4.975 -0.808 1.00 0.00 C +ATOM 211 C SER A 14 7.404 -4.162 -1.577 1.00 0.00 C +ATOM 212 O SER A 14 7.289 -3.990 -2.790 1.00 0.00 O +ATOM 213 CB SER A 14 5.008 -4.262 -1.007 1.00 0.00 C +ATOM 214 OG SER A 14 4.002 -4.863 -0.226 1.00 0.00 O +ATOM 215 H SER A 14 6.121 -4.441 1.233 1.00 0.00 H +ATOM 216 HA SER A 14 6.278 -5.969 -1.254 1.00 0.00 H +ATOM 217 HB2 SER A 14 5.110 -3.234 -0.719 1.00 0.00 H +ATOM 218 HB3 SER A 14 4.727 -4.291 -2.059 1.00 0.00 H +ATOM 219 HG SER A 14 3.353 -4.187 -0.015 1.00 0.00 H +ATOM 220 N GLY A 15 8.395 -3.574 -0.897 1.00 0.00 N +ATOM 221 CA GLY A 15 9.449 -2.750 -1.509 1.00 0.00 C +ATOM 222 C GLY A 15 9.021 -1.317 -1.874 1.00 0.00 C +ATOM 223 O GLY A 15 9.808 -0.389 -1.697 1.00 0.00 O +ATOM 224 H GLY A 15 8.410 -3.718 0.104 1.00 0.00 H +ATOM 225 HA2 GLY A 15 10.294 -2.689 -0.823 1.00 0.00 H +ATOM 226 HA3 GLY A 15 9.796 -3.237 -2.420 1.00 0.00 H +ATOM 227 N ARG A 16 7.790 -1.115 -2.367 1.00 0.00 N +ATOM 228 CA ARG A 16 7.218 0.212 -2.656 1.00 0.00 C +ATOM 229 C ARG A 16 6.821 0.946 -1.353 1.00 0.00 C +ATOM 230 O ARG A 16 6.154 0.335 -0.515 1.00 0.00 O +ATOM 231 CB ARG A 16 6.002 0.046 -3.589 1.00 0.00 C +ATOM 232 CG ARG A 16 5.399 1.393 -4.024 1.00 0.00 C +ATOM 233 CD ARG A 16 4.125 1.223 -4.857 1.00 0.00 C +ATOM 234 NE ARG A 16 3.497 2.535 -5.114 1.00 0.00 N +ATOM 235 CZ ARG A 16 2.320 2.983 -4.685 1.00 0.00 C +ATOM 236 NH1 ARG A 16 1.482 2.226 -4.014 1.00 0.00 N +ATOM 237 NH2 ARG A 16 1.953 4.216 -4.940 1.00 0.00 N +ATOM 238 H ARG A 16 7.238 -1.952 -2.530 1.00 0.00 H +ATOM 239 HA ARG A 16 7.984 0.787 -3.176 1.00 0.00 H +ATOM 240 HB2 ARG A 16 6.312 -0.490 -4.465 1.00 0.00 H +ATOM 241 HB3 ARG A 16 5.238 -0.540 -3.076 1.00 0.00 H +ATOM 242 HG2 ARG A 16 5.163 1.964 -3.147 1.00 0.00 H +ATOM 243 HG3 ARG A 16 6.135 1.947 -4.608 1.00 0.00 H +ATOM 244 HD2 ARG A 16 4.374 0.761 -5.793 1.00 0.00 H +ATOM 245 HD3 ARG A 16 3.445 0.561 -4.322 1.00 0.00 H +ATOM 246 HE ARG A 16 4.053 3.192 -5.635 1.00 0.00 H +ATOM 247 HH11 ARG A 16 1.728 1.264 -3.884 1.00 0.00 H +ATOM 248 HH12 ARG A 16 0.601 2.578 -3.692 1.00 0.00 H +ATOM 249 HH21 ARG A 16 2.560 4.835 -5.449 1.00 0.00 H +ATOM 250 HH22 ARG A 16 1.060 4.549 -4.627 1.00 0.00 H +ATOM 251 N PRO A 17 7.132 2.251 -1.190 1.00 0.00 N +ATOM 252 CA PRO A 17 6.721 3.035 -0.016 1.00 0.00 C +ATOM 253 C PRO A 17 5.194 3.259 0.062 1.00 0.00 C +ATOM 254 O PRO A 17 4.507 3.162 -0.959 1.00 0.00 O +ATOM 255 CB PRO A 17 7.473 4.368 -0.143 1.00 0.00 C +ATOM 256 CG PRO A 17 7.674 4.523 -1.648 1.00 0.00 C +ATOM 257 CD PRO A 17 7.904 3.085 -2.103 1.00 0.00 C +ATOM 258 HA PRO A 17 7.053 2.520 0.885 1.00 0.00 H +ATOM 259 HB2 PRO A 17 6.889 5.177 0.251 1.00 0.00 H +ATOM 260 HB3 PRO A 17 8.446 4.287 0.346 1.00 0.00 H +ATOM 261 HG2 PRO A 17 6.803 4.942 -2.114 1.00 0.00 H +ATOM 262 HG3 PRO A 17 8.524 5.165 -1.882 1.00 0.00 H +ATOM 263 HD2 PRO A 17 7.561 2.953 -3.111 1.00 0.00 H +ATOM 264 HD3 PRO A 17 8.962 2.836 -2.011 1.00 0.00 H +ATOM 265 N PRO A 18 4.651 3.589 1.252 1.00 0.00 N +ATOM 266 CA PRO A 18 3.222 3.833 1.437 1.00 0.00 C +ATOM 267 C PRO A 18 2.772 5.142 0.759 1.00 0.00 C +ATOM 268 O PRO A 18 3.480 6.148 0.843 1.00 0.00 O +ATOM 269 CB PRO A 18 3.004 3.890 2.953 1.00 0.00 C +ATOM 270 CG PRO A 18 4.356 4.348 3.494 1.00 0.00 C +ATOM 271 CD PRO A 18 5.355 3.724 2.520 1.00 0.00 C +ATOM 272 HA PRO A 18 2.669 2.988 1.034 1.00 0.00 H +ATOM 273 HB2 PRO A 18 2.233 4.593 3.203 1.00 0.00 H +ATOM 274 HB3 PRO A 18 2.784 2.892 3.327 1.00 0.00 H +ATOM 275 HG2 PRO A 18 4.430 5.418 3.487 1.00 0.00 H +ATOM 276 HG3 PRO A 18 4.520 4.003 4.516 1.00 0.00 H +ATOM 277 HD2 PRO A 18 6.211 4.361 2.405 1.00 0.00 H +ATOM 278 HD3 PRO A 18 5.649 2.736 2.877 1.00 0.00 H +ATOM 279 N PRO A 19 1.591 5.165 0.108 1.00 0.00 N +ATOM 280 CA PRO A 19 1.031 6.371 -0.488 1.00 0.00 C +ATOM 281 C PRO A 19 0.380 7.262 0.584 1.00 0.00 C +ATOM 282 O PRO A 19 -0.321 6.767 1.470 1.00 0.00 O +ATOM 283 CB PRO A 19 0.009 5.859 -1.504 1.00 0.00 C +ATOM 284 CG PRO A 19 -0.512 4.571 -0.862 1.00 0.00 C +ATOM 285 CD PRO A 19 0.696 4.034 -0.095 1.00 0.00 C +ATOM 286 HA PRO A 19 1.809 6.936 -1.005 1.00 0.00 H +ATOM 287 HB2 PRO A 19 -0.784 6.568 -1.642 1.00 0.00 H +ATOM 288 HB3 PRO A 19 0.521 5.617 -2.437 1.00 0.00 H +ATOM 289 HG2 PRO A 19 -1.327 4.778 -0.196 1.00 0.00 H +ATOM 290 HG3 PRO A 19 -0.847 3.854 -1.611 1.00 0.00 H +ATOM 291 HD2 PRO A 19 0.386 3.632 0.850 1.00 0.00 H +ATOM 292 HD3 PRO A 19 1.206 3.279 -0.693 1.00 0.00 H +ATOM 293 N SER A 20 0.592 8.578 0.472 1.00 0.00 N +ATOM 294 CA SER A 20 0.019 9.620 1.329 1.00 0.00 C +ATOM 295 C SER A 20 -0.235 10.875 0.498 1.00 0.00 C +ATOM 296 O SER A 20 0.745 11.327 -0.137 1.00 0.00 O +ATOM 297 CB SER A 20 0.977 9.898 2.490 1.00 0.00 C +ATOM 298 OG SER A 20 0.308 10.641 3.489 1.00 0.00 O +ATOM 299 OXT SER A 20 -1.409 11.298 0.440 1.00 0.00 O +ATOM 300 H SER A 20 1.168 8.935 -0.278 1.00 0.00 H +ATOM 301 HA SER A 20 -0.939 9.293 1.731 1.00 0.00 H +ATOM 302 HB2 SER A 20 1.316 8.968 2.904 1.00 0.00 H +ATOM 303 HB3 SER A 20 1.845 10.449 2.120 1.00 0.00 H +ATOM 304 HG SER A 20 0.955 10.989 4.106 1.00 0.00 H +TER 305 SER A 20 +ENDMDL +MODEL 10 +ATOM 1 N ASN A 1 -6.943 6.963 0.951 1.00 0.00 N +ATOM 2 CA ASN A 1 -7.689 6.240 -0.107 1.00 0.00 C +ATOM 3 C ASN A 1 -6.888 5.124 -0.770 1.00 0.00 C +ATOM 4 O ASN A 1 -7.377 4.006 -0.773 1.00 0.00 O +ATOM 5 CB ASN A 1 -8.340 7.202 -1.116 1.00 0.00 C +ATOM 6 CG ASN A 1 -9.413 8.048 -0.430 1.00 0.00 C +ATOM 7 OD1 ASN A 1 -9.573 7.981 0.781 1.00 0.00 O +ATOM 8 ND2 ASN A 1 -10.146 8.872 -1.153 1.00 0.00 N +ATOM 9 H1 ASN A 1 -6.551 6.315 1.619 1.00 0.00 H +ATOM 10 H2 ASN A 1 -6.210 7.532 0.552 1.00 0.00 H +ATOM 11 H3 ASN A 1 -7.600 7.571 1.435 1.00 0.00 H +ATOM 12 HA ASN A 1 -8.514 5.723 0.389 1.00 0.00 H +ATOM 13 HB2 ASN A 1 -7.587 7.849 -1.524 1.00 0.00 H +ATOM 14 HB3 ASN A 1 -8.816 6.622 -1.909 1.00 0.00 H +ATOM 15 HD21 ASN A 1 -10.039 8.989 -2.148 1.00 0.00 H +ATOM 16 HD22 ASN A 1 -10.843 9.380 -0.632 1.00 0.00 H +ATOM 17 N LEU A 2 -5.683 5.360 -1.308 1.00 0.00 N +ATOM 18 CA LEU A 2 -4.939 4.305 -2.022 1.00 0.00 C +ATOM 19 C LEU A 2 -4.268 3.260 -1.097 1.00 0.00 C +ATOM 20 O LEU A 2 -3.716 2.270 -1.573 1.00 0.00 O +ATOM 21 CB LEU A 2 -3.943 4.985 -2.983 1.00 0.00 C +ATOM 22 CG LEU A 2 -3.510 4.134 -4.197 1.00 0.00 C +ATOM 23 CD1 LEU A 2 -4.689 3.815 -5.127 1.00 0.00 C +ATOM 24 CD2 LEU A 2 -2.467 4.910 -5.004 1.00 0.00 C +ATOM 25 H LEU A 2 -5.289 6.289 -1.343 1.00 0.00 H +ATOM 26 HA LEU A 2 -5.665 3.756 -2.620 1.00 0.00 H +ATOM 27 HB2 LEU A 2 -4.400 5.882 -3.353 1.00 0.00 H +ATOM 28 HB3 LEU A 2 -3.059 5.272 -2.417 1.00 0.00 H +ATOM 29 HG LEU A 2 -3.055 3.203 -3.864 1.00 0.00 H +ATOM 30 HD11 LEU A 2 -5.375 3.120 -4.648 1.00 0.00 H +ATOM 31 HD12 LEU A 2 -5.221 4.730 -5.390 1.00 0.00 H +ATOM 32 HD13 LEU A 2 -4.321 3.345 -6.040 1.00 0.00 H +ATOM 33 HD21 LEU A 2 -2.887 5.852 -5.359 1.00 0.00 H +ATOM 34 HD22 LEU A 2 -1.596 5.115 -4.384 1.00 0.00 H +ATOM 35 HD23 LEU A 2 -2.147 4.317 -5.861 1.00 0.00 H +ATOM 36 N TYR A 3 -4.340 3.443 0.228 1.00 0.00 N +ATOM 37 CA TYR A 3 -3.683 2.595 1.228 1.00 0.00 C +ATOM 38 C TYR A 3 -4.096 1.115 1.160 1.00 0.00 C +ATOM 39 O TYR A 3 -3.266 0.248 1.427 1.00 0.00 O +ATOM 40 CB TYR A 3 -3.925 3.179 2.630 1.00 0.00 C +ATOM 41 CG TYR A 3 -2.760 2.970 3.580 1.00 0.00 C +ATOM 42 CD1 TYR A 3 -1.680 3.874 3.561 1.00 0.00 C +ATOM 43 CD2 TYR A 3 -2.753 1.884 4.475 1.00 0.00 C +ATOM 44 CE1 TYR A 3 -0.588 3.691 4.430 1.00 0.00 C +ATOM 45 CE2 TYR A 3 -1.662 1.698 5.348 1.00 0.00 C +ATOM 46 CZ TYR A 3 -0.577 2.599 5.325 1.00 0.00 C +ATOM 47 OH TYR A 3 0.476 2.408 6.162 1.00 0.00 O +ATOM 48 H TYR A 3 -4.813 4.268 0.548 1.00 0.00 H +ATOM 49 HA TYR A 3 -2.609 2.637 1.035 1.00 0.00 H +ATOM 50 HB2 TYR A 3 -4.100 4.233 2.534 1.00 0.00 H +ATOM 51 HB3 TYR A 3 -4.832 2.746 3.057 1.00 0.00 H +ATOM 52 HD1 TYR A 3 -1.686 4.718 2.886 1.00 0.00 H +ATOM 53 HD2 TYR A 3 -3.582 1.193 4.494 1.00 0.00 H +ATOM 54 HE1 TYR A 3 0.229 4.396 4.422 1.00 0.00 H +ATOM 55 HE2 TYR A 3 -1.639 0.873 6.042 1.00 0.00 H +ATOM 56 HH TYR A 3 1.215 2.981 5.950 1.00 0.00 H +ATOM 57 N ILE A 4 -5.333 0.810 0.732 1.00 0.00 N +ATOM 58 CA ILE A 4 -5.790 -0.565 0.464 1.00 0.00 C +ATOM 59 C ILE A 4 -4.909 -1.223 -0.610 1.00 0.00 C +ATOM 60 O ILE A 4 -4.439 -2.342 -0.417 1.00 0.00 O +ATOM 61 CB ILE A 4 -7.285 -0.604 0.049 1.00 0.00 C +ATOM 62 CG1 ILE A 4 -8.234 0.069 1.074 1.00 0.00 C +ATOM 63 CG2 ILE A 4 -7.764 -2.056 -0.139 1.00 0.00 C +ATOM 64 CD1 ILE A 4 -8.662 1.477 0.657 1.00 0.00 C +ATOM 65 H ILE A 4 -5.959 1.576 0.529 1.00 0.00 H +ATOM 66 HA ILE A 4 -5.679 -1.148 1.381 1.00 0.00 H +ATOM 67 HB ILE A 4 -7.388 -0.102 -0.916 1.00 0.00 H +ATOM 68 HG12 ILE A 4 -9.112 -0.539 1.177 1.00 0.00 H +ATOM 69 HG13 ILE A 4 -7.760 0.113 2.055 1.00 0.00 H +ATOM 70 HG21 ILE A 4 -7.127 -2.599 -0.836 1.00 0.00 H +ATOM 71 HG22 ILE A 4 -7.772 -2.577 0.819 1.00 0.00 H +ATOM 72 HG23 ILE A 4 -8.776 -2.054 -0.550 1.00 0.00 H +ATOM 73 HD11 ILE A 4 -7.813 2.149 0.745 1.00 0.00 H +ATOM 74 HD12 ILE A 4 -9.034 1.472 -0.368 1.00 0.00 H +ATOM 75 HD13 ILE A 4 -9.458 1.827 1.316 1.00 0.00 H +ATOM 76 N GLN A 5 -4.664 -0.521 -1.727 1.00 0.00 N +ATOM 77 CA GLN A 5 -3.843 -0.981 -2.852 1.00 0.00 C +ATOM 78 C GLN A 5 -2.374 -1.203 -2.455 1.00 0.00 C +ATOM 79 O GLN A 5 -1.735 -2.102 -2.996 1.00 0.00 O +ATOM 80 CB GLN A 5 -3.966 0.016 -4.026 1.00 0.00 C +ATOM 81 CG GLN A 5 -4.731 -0.540 -5.248 1.00 0.00 C +ATOM 82 CD GLN A 5 -3.839 -0.991 -6.408 1.00 0.00 C +ATOM 83 OE1 GLN A 5 -2.801 -0.426 -6.704 1.00 0.00 O +ATOM 84 NE2 GLN A 5 -4.226 -2.006 -7.158 1.00 0.00 N +ATOM 85 H GLN A 5 -4.986 0.437 -1.755 1.00 0.00 H +ATOM 86 HA GLN A 5 -4.229 -1.945 -3.174 1.00 0.00 H +ATOM 87 HB2 GLN A 5 -4.481 0.889 -3.674 1.00 0.00 H +ATOM 88 HB3 GLN A 5 -2.974 0.357 -4.328 1.00 0.00 H +ATOM 89 HG2 GLN A 5 -5.311 -1.383 -4.925 1.00 0.00 H +ATOM 90 HG3 GLN A 5 -5.374 0.252 -5.631 1.00 0.00 H +ATOM 91 HE21 GLN A 5 -5.133 -2.431 -7.060 1.00 0.00 H +ATOM 92 HE22 GLN A 5 -3.683 -2.060 -8.004 1.00 0.00 H +ATOM 93 N TRP A 6 -1.859 -0.430 -1.488 1.00 0.00 N +ATOM 94 CA TRP A 6 -0.534 -0.641 -0.897 1.00 0.00 C +ATOM 95 C TRP A 6 -0.505 -1.815 0.100 1.00 0.00 C +ATOM 96 O TRP A 6 0.412 -2.635 0.060 1.00 0.00 O +ATOM 97 CB TRP A 6 -0.068 0.666 -0.245 1.00 0.00 C +ATOM 98 CG TRP A 6 1.303 0.611 0.356 1.00 0.00 C +ATOM 99 CD1 TRP A 6 2.468 0.703 -0.325 1.00 0.00 C +ATOM 100 CD2 TRP A 6 1.674 0.434 1.758 1.00 0.00 C +ATOM 101 NE1 TRP A 6 3.528 0.564 0.550 1.00 0.00 N +ATOM 102 CE2 TRP A 6 3.097 0.425 1.849 1.00 0.00 C +ATOM 103 CE3 TRP A 6 0.953 0.284 2.960 1.00 0.00 C +ATOM 104 CZ2 TRP A 6 3.775 0.299 3.069 1.00 0.00 C +ATOM 105 CZ3 TRP A 6 1.622 0.134 4.190 1.00 0.00 C +ATOM 106 CH2 TRP A 6 3.026 0.159 4.250 1.00 0.00 C +ATOM 107 H TRP A 6 -2.448 0.312 -1.131 1.00 0.00 H +ATOM 108 HA TRP A 6 0.169 -0.885 -1.694 1.00 0.00 H +ATOM 109 HB2 TRP A 6 -0.074 1.434 -0.994 1.00 0.00 H +ATOM 110 HB3 TRP A 6 -0.776 0.954 0.532 1.00 0.00 H +ATOM 111 HD1 TRP A 6 2.556 0.855 -1.394 1.00 0.00 H +ATOM 112 HE1 TRP A 6 4.512 0.575 0.270 1.00 0.00 H +ATOM 113 HE3 TRP A 6 -0.126 0.291 2.931 1.00 0.00 H +ATOM 114 HZ2 TRP A 6 4.854 0.309 3.090 1.00 0.00 H +ATOM 115 HZ3 TRP A 6 1.050 0.016 5.100 1.00 0.00 H +ATOM 116 HH2 TRP A 6 3.527 0.067 5.203 1.00 0.00 H +ATOM 117 N LEU A 7 -1.510 -1.935 0.978 1.00 0.00 N +ATOM 118 CA LEU A 7 -1.599 -3.048 1.926 1.00 0.00 C +ATOM 119 C LEU A 7 -1.809 -4.403 1.239 1.00 0.00 C +ATOM 120 O LEU A 7 -1.124 -5.355 1.613 1.00 0.00 O +ATOM 121 CB LEU A 7 -2.699 -2.798 2.974 1.00 0.00 C +ATOM 122 CG LEU A 7 -2.286 -1.852 4.119 1.00 0.00 C +ATOM 123 CD1 LEU A 7 -3.491 -1.640 5.038 1.00 0.00 C +ATOM 124 CD2 LEU A 7 -1.140 -2.415 4.972 1.00 0.00 C +ATOM 125 H LEU A 7 -2.224 -1.210 1.007 1.00 0.00 H +ATOM 126 HA LEU A 7 -0.640 -3.131 2.434 1.00 0.00 H +ATOM 127 HB2 LEU A 7 -3.547 -2.370 2.475 1.00 0.00 H +ATOM 128 HB3 LEU A 7 -2.977 -3.755 3.419 1.00 0.00 H +ATOM 129 HG LEU A 7 -1.983 -0.891 3.707 1.00 0.00 H +ATOM 130 HD11 LEU A 7 -4.312 -1.199 4.473 1.00 0.00 H +ATOM 131 HD12 LEU A 7 -3.814 -2.592 5.458 1.00 0.00 H +ATOM 132 HD13 LEU A 7 -3.224 -0.969 5.855 1.00 0.00 H +ATOM 133 HD21 LEU A 7 -1.389 -3.418 5.318 1.00 0.00 H +ATOM 134 HD22 LEU A 7 -0.217 -2.452 4.397 1.00 0.00 H +ATOM 135 HD23 LEU A 7 -0.968 -1.773 5.834 1.00 0.00 H +ATOM 136 N LYS A 8 -2.697 -4.510 0.235 1.00 0.00 N +ATOM 137 CA LYS A 8 -2.957 -5.783 -0.469 1.00 0.00 C +ATOM 138 C LYS A 8 -1.729 -6.374 -1.170 1.00 0.00 C +ATOM 139 O LYS A 8 -1.710 -7.566 -1.460 1.00 0.00 O +ATOM 140 CB LYS A 8 -4.168 -5.663 -1.419 1.00 0.00 C +ATOM 141 CG LYS A 8 -4.006 -4.746 -2.644 1.00 0.00 C +ATOM 142 CD LYS A 8 -3.193 -5.323 -3.812 1.00 0.00 C +ATOM 143 CE LYS A 8 -3.386 -4.457 -5.061 1.00 0.00 C +ATOM 144 NZ LYS A 8 -2.231 -4.566 -5.977 1.00 0.00 N +ATOM 145 H LYS A 8 -3.247 -3.686 -0.007 1.00 0.00 H +ATOM 146 HA LYS A 8 -3.228 -6.519 0.290 1.00 0.00 H +ATOM 147 HB2 LYS A 8 -4.396 -6.648 -1.779 1.00 0.00 H +ATOM 148 HB3 LYS A 8 -5.007 -5.283 -0.833 1.00 0.00 H +ATOM 149 HG2 LYS A 8 -4.987 -4.511 -3.011 1.00 0.00 H +ATOM 150 HG3 LYS A 8 -3.534 -3.825 -2.321 1.00 0.00 H +ATOM 151 HD2 LYS A 8 -2.153 -5.339 -3.548 1.00 0.00 H +ATOM 152 HD3 LYS A 8 -3.497 -6.350 -4.023 1.00 0.00 H +ATOM 153 HE2 LYS A 8 -4.271 -4.779 -5.575 1.00 0.00 H +ATOM 154 HE3 LYS A 8 -3.483 -3.417 -4.746 1.00 0.00 H +ATOM 155 HZ1 LYS A 8 -1.362 -4.377 -5.451 1.00 0.00 H +ATOM 156 HZ2 LYS A 8 -2.123 -5.504 -6.333 1.00 0.00 H +ATOM 157 HZ3 LYS A 8 -2.292 -3.898 -6.731 1.00 0.00 H +ATOM 158 N ASP A 9 -0.707 -5.552 -1.426 1.00 0.00 N +ATOM 159 CA ASP A 9 0.589 -5.960 -1.966 1.00 0.00 C +ATOM 160 C ASP A 9 1.516 -6.588 -0.906 1.00 0.00 C +ATOM 161 O ASP A 9 2.485 -7.250 -1.274 1.00 0.00 O +ATOM 162 CB ASP A 9 1.253 -4.722 -2.594 1.00 0.00 C +ATOM 163 CG ASP A 9 1.159 -4.718 -4.115 1.00 0.00 C +ATOM 164 OD1 ASP A 9 0.038 -4.607 -4.656 1.00 0.00 O +ATOM 165 OD2 ASP A 9 2.240 -4.782 -4.738 1.00 0.00 O +ATOM 166 H ASP A 9 -0.829 -4.576 -1.196 1.00 0.00 H +ATOM 167 HA ASP A 9 0.438 -6.713 -2.742 1.00 0.00 H +ATOM 168 HB2 ASP A 9 0.768 -3.843 -2.217 1.00 0.00 H +ATOM 169 HB3 ASP A 9 2.307 -4.701 -2.323 1.00 0.00 H +ATOM 170 N GLY A 10 1.212 -6.406 0.389 1.00 0.00 N +ATOM 171 CA GLY A 10 2.037 -6.837 1.523 1.00 0.00 C +ATOM 172 C GLY A 10 2.524 -5.698 2.431 1.00 0.00 C +ATOM 173 O GLY A 10 3.335 -5.946 3.326 1.00 0.00 O +ATOM 174 H GLY A 10 0.334 -5.944 0.606 1.00 0.00 H +ATOM 175 HA2 GLY A 10 1.452 -7.525 2.133 1.00 0.00 H +ATOM 176 HA3 GLY A 10 2.916 -7.372 1.161 1.00 0.00 H +ATOM 177 N GLY A 11 2.079 -4.450 2.212 1.00 0.00 N +ATOM 178 CA GLY A 11 2.527 -3.280 2.968 1.00 0.00 C +ATOM 179 C GLY A 11 4.060 -3.125 2.939 1.00 0.00 C +ATOM 180 O GLY A 11 4.630 -3.169 1.842 1.00 0.00 O +ATOM 181 H GLY A 11 1.473 -4.294 1.414 1.00 0.00 H +ATOM 182 HA2 GLY A 11 2.088 -2.385 2.527 1.00 0.00 H +ATOM 183 HA3 GLY A 11 2.161 -3.373 3.989 1.00 0.00 H +ATOM 184 N PRO A 12 4.753 -2.971 4.089 1.00 0.00 N +ATOM 185 CA PRO A 12 6.211 -2.791 4.140 1.00 0.00 C +ATOM 186 C PRO A 12 7.014 -3.874 3.403 1.00 0.00 C +ATOM 187 O PRO A 12 8.041 -3.574 2.797 1.00 0.00 O +ATOM 188 CB PRO A 12 6.582 -2.768 5.628 1.00 0.00 C +ATOM 189 CG PRO A 12 5.287 -2.370 6.329 1.00 0.00 C +ATOM 190 CD PRO A 12 4.205 -2.974 5.438 1.00 0.00 C +ATOM 191 HA PRO A 12 6.452 -1.822 3.699 1.00 0.00 H +ATOM 192 HB2 PRO A 12 6.909 -3.736 5.954 1.00 0.00 H +ATOM 193 HB3 PRO A 12 7.381 -2.053 5.830 1.00 0.00 H +ATOM 194 HG2 PRO A 12 5.244 -2.782 7.319 1.00 0.00 H +ATOM 195 HG3 PRO A 12 5.193 -1.282 6.336 1.00 0.00 H +ATOM 196 HD2 PRO A 12 3.982 -3.977 5.748 1.00 0.00 H +ATOM 197 HD3 PRO A 12 3.295 -2.381 5.511 1.00 0.00 H +ATOM 198 N SER A 13 6.533 -5.123 3.409 1.00 0.00 N +ATOM 199 CA SER A 13 7.187 -6.275 2.772 1.00 0.00 C +ATOM 200 C SER A 13 7.064 -6.297 1.237 1.00 0.00 C +ATOM 201 O SER A 13 7.472 -7.272 0.612 1.00 0.00 O +ATOM 202 CB SER A 13 6.637 -7.571 3.386 1.00 0.00 C +ATOM 203 OG SER A 13 6.985 -7.634 4.757 1.00 0.00 O +ATOM 204 H SER A 13 5.655 -5.302 3.884 1.00 0.00 H +ATOM 205 HA SER A 13 8.253 -6.230 2.991 1.00 0.00 H +ATOM 206 HB2 SER A 13 5.569 -7.587 3.288 1.00 0.00 H +ATOM 207 HB3 SER A 13 7.058 -8.437 2.875 1.00 0.00 H +ATOM 208 HG SER A 13 7.938 -7.738 4.830 1.00 0.00 H +ATOM 209 N SER A 14 6.524 -5.234 0.624 1.00 0.00 N +ATOM 210 CA SER A 14 6.244 -5.155 -0.818 1.00 0.00 C +ATOM 211 C SER A 14 7.352 -4.486 -1.642 1.00 0.00 C +ATOM 212 O SER A 14 7.292 -4.512 -2.869 1.00 0.00 O +ATOM 213 CB SER A 14 4.956 -4.361 -1.069 1.00 0.00 C +ATOM 214 OG SER A 14 3.953 -4.634 -0.126 1.00 0.00 O +ATOM 215 H SER A 14 6.200 -4.481 1.217 1.00 0.00 H +ATOM 216 HA SER A 14 6.093 -6.164 -1.206 1.00 0.00 H +ATOM 217 HB2 SER A 14 5.186 -3.314 -1.030 1.00 0.00 H +ATOM 218 HB3 SER A 14 4.589 -4.586 -2.070 1.00 0.00 H +ATOM 219 HG SER A 14 4.150 -4.078 0.666 1.00 0.00 H +ATOM 220 N GLY A 15 8.336 -3.840 -0.998 1.00 0.00 N +ATOM 221 CA GLY A 15 9.395 -3.094 -1.693 1.00 0.00 C +ATOM 222 C GLY A 15 8.943 -1.756 -2.301 1.00 0.00 C +ATOM 223 O GLY A 15 9.512 -1.327 -3.303 1.00 0.00 O +ATOM 224 H GLY A 15 8.352 -3.897 0.012 1.00 0.00 H +ATOM 225 HA2 GLY A 15 10.206 -2.893 -0.996 1.00 0.00 H +ATOM 226 HA3 GLY A 15 9.795 -3.712 -2.500 1.00 0.00 H +ATOM 227 N ARG A 16 7.916 -1.105 -1.732 1.00 0.00 N +ATOM 228 CA ARG A 16 7.364 0.181 -2.198 1.00 0.00 C +ATOM 229 C ARG A 16 6.867 1.046 -1.024 1.00 0.00 C +ATOM 230 O ARG A 16 6.262 0.497 -0.098 1.00 0.00 O +ATOM 231 CB ARG A 16 6.251 -0.057 -3.241 1.00 0.00 C +ATOM 232 CG ARG A 16 5.161 -1.058 -2.811 1.00 0.00 C +ATOM 233 CD ARG A 16 4.134 -1.346 -3.924 1.00 0.00 C +ATOM 234 NE ARG A 16 4.103 -2.766 -4.336 1.00 0.00 N +ATOM 235 CZ ARG A 16 5.054 -3.492 -4.909 1.00 0.00 C +ATOM 236 NH1 ARG A 16 6.220 -2.996 -5.246 1.00 0.00 N +ATOM 237 NH2 ARG A 16 4.821 -4.753 -5.163 1.00 0.00 N +ATOM 238 H ARG A 16 7.511 -1.511 -0.898 1.00 0.00 H +ATOM 239 HA ARG A 16 8.172 0.718 -2.695 1.00 0.00 H +ATOM 240 HB2 ARG A 16 5.778 0.884 -3.444 1.00 0.00 H +ATOM 241 HB3 ARG A 16 6.725 -0.430 -4.149 1.00 0.00 H +ATOM 242 HG2 ARG A 16 5.634 -1.981 -2.535 1.00 0.00 H +ATOM 243 HG3 ARG A 16 4.637 -0.670 -1.938 1.00 0.00 H +ATOM 244 HD2 ARG A 16 3.159 -1.073 -3.568 1.00 0.00 H +ATOM 245 HD3 ARG A 16 4.340 -0.723 -4.795 1.00 0.00 H +ATOM 246 HE ARG A 16 3.238 -3.299 -4.232 1.00 0.00 H +ATOM 247 HH11 ARG A 16 6.407 -2.037 -5.038 1.00 0.00 H +ATOM 248 HH12 ARG A 16 6.943 -3.615 -5.560 1.00 0.00 H +ATOM 249 HH21 ARG A 16 3.839 -5.043 -5.009 1.00 0.00 H +ATOM 250 HH22 ARG A 16 5.505 -5.381 -5.529 1.00 0.00 H +ATOM 251 N PRO A 17 7.083 2.378 -1.045 1.00 0.00 N +ATOM 252 CA PRO A 17 6.638 3.277 0.023 1.00 0.00 C +ATOM 253 C PRO A 17 5.104 3.442 0.035 1.00 0.00 C +ATOM 254 O PRO A 17 4.455 3.170 -0.978 1.00 0.00 O +ATOM 255 CB PRO A 17 7.343 4.610 -0.260 1.00 0.00 C +ATOM 256 CG PRO A 17 7.496 4.611 -1.779 1.00 0.00 C +ATOM 257 CD PRO A 17 7.741 3.138 -2.101 1.00 0.00 C +ATOM 258 HA PRO A 17 6.968 2.888 0.986 1.00 0.00 H +ATOM 259 HB2 PRO A 17 6.744 5.438 0.067 1.00 0.00 H +ATOM 260 HB3 PRO A 17 8.332 4.604 0.204 1.00 0.00 H +ATOM 261 HG2 PRO A 17 6.603 4.967 -2.256 1.00 0.00 H +ATOM 262 HG3 PRO A 17 8.328 5.240 -2.103 1.00 0.00 H +ATOM 263 HD2 PRO A 17 7.319 2.890 -3.056 1.00 0.00 H +ATOM 264 HD3 PRO A 17 8.812 2.932 -2.083 1.00 0.00 H +ATOM 265 N PRO A 18 4.512 3.890 1.161 1.00 0.00 N +ATOM 266 CA PRO A 18 3.074 4.111 1.260 1.00 0.00 C +ATOM 267 C PRO A 18 2.616 5.335 0.440 1.00 0.00 C +ATOM 268 O PRO A 18 3.395 6.265 0.230 1.00 0.00 O +ATOM 269 CB PRO A 18 2.796 4.301 2.754 1.00 0.00 C +ATOM 270 CG PRO A 18 4.105 4.879 3.287 1.00 0.00 C +ATOM 271 CD PRO A 18 5.162 4.183 2.431 1.00 0.00 C +ATOM 272 HA PRO A 18 2.556 3.220 0.910 1.00 0.00 H +ATOM 273 HB2 PRO A 18 1.983 4.984 2.910 1.00 0.00 H +ATOM 274 HB3 PRO A 18 2.610 3.329 3.214 1.00 0.00 H +ATOM 275 HG2 PRO A 18 4.140 5.943 3.153 1.00 0.00 H +ATOM 276 HG3 PRO A 18 4.240 4.666 4.348 1.00 0.00 H +ATOM 277 HD2 PRO A 18 6.005 4.829 2.279 1.00 0.00 H +ATOM 278 HD3 PRO A 18 5.463 3.249 2.906 1.00 0.00 H +ATOM 279 N PRO A 19 1.341 5.370 0.004 1.00 0.00 N +ATOM 280 CA PRO A 19 0.777 6.481 -0.754 1.00 0.00 C +ATOM 281 C PRO A 19 0.447 7.673 0.157 1.00 0.00 C +ATOM 282 O PRO A 19 -0.482 7.605 0.965 1.00 0.00 O +ATOM 283 CB PRO A 19 -0.466 5.904 -1.437 1.00 0.00 C +ATOM 284 CG PRO A 19 -0.933 4.811 -0.475 1.00 0.00 C +ATOM 285 CD PRO A 19 0.371 4.292 0.127 1.00 0.00 C +ATOM 286 HA PRO A 19 1.481 6.804 -1.523 1.00 0.00 H +ATOM 287 HB2 PRO A 19 -1.221 6.657 -1.557 1.00 0.00 H +ATOM 288 HB3 PRO A 19 -0.172 5.448 -2.384 1.00 0.00 H +ATOM 289 HG2 PRO A 19 -1.573 5.216 0.285 1.00 0.00 H +ATOM 290 HG3 PRO A 19 -1.468 4.019 -0.996 1.00 0.00 H +ATOM 291 HD2 PRO A 19 0.227 4.038 1.160 1.00 0.00 H +ATOM 292 HD3 PRO A 19 0.725 3.441 -0.450 1.00 0.00 H +ATOM 293 N SER A 20 1.209 8.762 0.004 1.00 0.00 N +ATOM 294 CA SER A 20 1.059 10.038 0.716 1.00 0.00 C +ATOM 295 C SER A 20 1.217 11.216 -0.248 1.00 0.00 C +ATOM 296 O SER A 20 2.389 11.403 -0.664 1.00 0.00 O +ATOM 297 CB SER A 20 2.098 10.115 1.845 1.00 0.00 C +ATOM 298 OG SER A 20 3.359 10.263 1.230 1.00 0.00 O +ATOM 299 OXT SER A 20 0.202 11.886 -0.520 1.00 0.00 O +ATOM 300 H SER A 20 1.991 8.709 -0.634 1.00 0.00 H +ATOM 301 HA SER A 20 0.060 10.107 1.146 1.00 0.00 H +ATOM 302 HB2 SER A 20 1.894 10.958 2.477 1.00 0.00 H +ATOM 303 HB3 SER A 20 2.070 9.211 2.456 1.00 0.00 H +ATOM 304 HG SER A 20 3.120 10.769 0.374 1.00 0.00 H +TER 305 SER A 20 +ENDMDL +MODEL 11 +ATOM 1 N ASN A 1 -6.688 7.436 -0.473 1.00 0.00 N +ATOM 2 CA ASN A 1 -7.529 6.238 -0.712 1.00 0.00 C +ATOM 3 C ASN A 1 -6.749 5.006 -1.210 1.00 0.00 C +ATOM 4 O ASN A 1 -7.279 3.906 -1.158 1.00 0.00 O +ATOM 5 CB ASN A 1 -8.713 6.573 -1.639 1.00 0.00 C +ATOM 6 CG ASN A 1 -9.880 5.632 -1.366 1.00 0.00 C +ATOM 7 OD1 ASN A 1 -10.413 5.629 -0.269 1.00 0.00 O +ATOM 8 ND2 ASN A 1 -10.300 4.816 -2.315 1.00 0.00 N +ATOM 9 H1 ASN A 1 -5.936 7.221 0.168 1.00 0.00 H +ATOM 10 H2 ASN A 1 -6.305 7.780 -1.344 1.00 0.00 H +ATOM 11 H3 ASN A 1 -7.252 8.169 -0.065 1.00 0.00 H +ATOM 12 HA ASN A 1 -7.963 5.944 0.246 1.00 0.00 H +ATOM 13 HB2 ASN A 1 -9.025 7.584 -1.463 1.00 0.00 H +ATOM 14 HB3 ASN A 1 -8.412 6.523 -2.686 1.00 0.00 H +ATOM 15 HD21 ASN A 1 -9.869 4.743 -3.220 1.00 0.00 H +ATOM 16 HD22 ASN A 1 -11.067 4.224 -2.039 1.00 0.00 H +ATOM 17 N LEU A 2 -5.494 5.147 -1.665 1.00 0.00 N +ATOM 18 CA LEU A 2 -4.691 4.051 -2.237 1.00 0.00 C +ATOM 19 C LEU A 2 -4.046 3.125 -1.181 1.00 0.00 C +ATOM 20 O LEU A 2 -3.429 2.120 -1.531 1.00 0.00 O +ATOM 21 CB LEU A 2 -3.615 4.692 -3.131 1.00 0.00 C +ATOM 22 CG LEU A 2 -4.196 5.327 -4.413 1.00 0.00 C +ATOM 23 CD1 LEU A 2 -3.432 6.605 -4.768 1.00 0.00 C +ATOM 24 CD2 LEU A 2 -4.134 4.351 -5.589 1.00 0.00 C +ATOM 25 H LEU A 2 -5.038 6.044 -1.695 1.00 0.00 H +ATOM 26 HA LEU A 2 -5.328 3.419 -2.859 1.00 0.00 H +ATOM 27 HB2 LEU A 2 -3.113 5.455 -2.568 1.00 0.00 H +ATOM 28 HB3 LEU A 2 -2.872 3.942 -3.409 1.00 0.00 H +ATOM 29 HG LEU A 2 -5.238 5.607 -4.254 1.00 0.00 H +ATOM 30 HD11 LEU A 2 -3.529 7.331 -3.961 1.00 0.00 H +ATOM 31 HD12 LEU A 2 -2.377 6.382 -4.926 1.00 0.00 H +ATOM 32 HD13 LEU A 2 -3.850 7.041 -5.676 1.00 0.00 H +ATOM 33 HD21 LEU A 2 -3.107 4.029 -5.760 1.00 0.00 H +ATOM 34 HD22 LEU A 2 -4.756 3.481 -5.378 1.00 0.00 H +ATOM 35 HD23 LEU A 2 -4.508 4.834 -6.491 1.00 0.00 H +ATOM 36 N TYR A 3 -4.195 3.445 0.111 1.00 0.00 N +ATOM 37 CA TYR A 3 -3.594 2.700 1.221 1.00 0.00 C +ATOM 38 C TYR A 3 -4.029 1.227 1.239 1.00 0.00 C +ATOM 39 O TYR A 3 -3.224 0.352 1.545 1.00 0.00 O +ATOM 40 CB TYR A 3 -3.934 3.395 2.550 1.00 0.00 C +ATOM 41 CG TYR A 3 -2.766 3.426 3.514 1.00 0.00 C +ATOM 42 CD1 TYR A 3 -2.442 2.278 4.260 1.00 0.00 C +ATOM 43 CD2 TYR A 3 -1.987 4.594 3.643 1.00 0.00 C +ATOM 44 CE1 TYR A 3 -1.344 2.291 5.138 1.00 0.00 C +ATOM 45 CE2 TYR A 3 -0.891 4.614 4.527 1.00 0.00 C +ATOM 46 CZ TYR A 3 -0.566 3.461 5.272 1.00 0.00 C +ATOM 47 OH TYR A 3 0.481 3.472 6.138 1.00 0.00 O +ATOM 48 H TYR A 3 -4.719 4.274 0.329 1.00 0.00 H +ATOM 49 HA TYR A 3 -2.512 2.721 1.090 1.00 0.00 H +ATOM 50 HB2 TYR A 3 -4.233 4.404 2.342 1.00 0.00 H +ATOM 51 HB3 TYR A 3 -4.777 2.889 3.026 1.00 0.00 H +ATOM 52 HD1 TYR A 3 -3.039 1.385 4.148 1.00 0.00 H +ATOM 53 HD2 TYR A 3 -2.219 5.478 3.065 1.00 0.00 H +ATOM 54 HE1 TYR A 3 -1.086 1.416 5.715 1.00 0.00 H +ATOM 55 HE2 TYR A 3 -0.292 5.509 4.627 1.00 0.00 H +ATOM 56 HH TYR A 3 0.250 3.913 6.958 1.00 0.00 H +ATOM 57 N ILE A 4 -5.286 0.955 0.858 1.00 0.00 N +ATOM 58 CA ILE A 4 -5.847 -0.393 0.739 1.00 0.00 C +ATOM 59 C ILE A 4 -5.076 -1.179 -0.327 1.00 0.00 C +ATOM 60 O ILE A 4 -4.596 -2.269 -0.040 1.00 0.00 O +ATOM 61 CB ILE A 4 -7.361 -0.341 0.420 1.00 0.00 C +ATOM 62 CG1 ILE A 4 -8.160 0.545 1.415 1.00 0.00 C +ATOM 63 CG2 ILE A 4 -7.962 -1.760 0.413 1.00 0.00 C +ATOM 64 CD1 ILE A 4 -9.201 1.423 0.710 1.00 0.00 C +ATOM 65 H ILE A 4 -5.875 1.740 0.624 1.00 0.00 H +ATOM 66 HA ILE A 4 -5.714 -0.910 1.692 1.00 0.00 H +ATOM 67 HB ILE A 4 -7.471 0.071 -0.583 1.00 0.00 H +ATOM 68 HG12 ILE A 4 -8.664 -0.092 2.116 1.00 0.00 H +ATOM 69 HG13 ILE A 4 -7.498 1.210 1.968 1.00 0.00 H +ATOM 70 HG21 ILE A 4 -7.462 -2.390 -0.323 1.00 0.00 H +ATOM 71 HG22 ILE A 4 -7.853 -2.219 1.398 1.00 0.00 H +ATOM 72 HG23 ILE A 4 -9.022 -1.713 0.159 1.00 0.00 H +ATOM 73 HD11 ILE A 4 -8.755 1.914 -0.157 1.00 0.00 H +ATOM 74 HD12 ILE A 4 -10.046 0.816 0.386 1.00 0.00 H +ATOM 75 HD13 ILE A 4 -9.552 2.192 1.399 1.00 0.00 H +ATOM 76 N GLN A 5 -4.908 -0.611 -1.532 1.00 0.00 N +ATOM 77 CA GLN A 5 -4.116 -1.188 -2.627 1.00 0.00 C +ATOM 78 C GLN A 5 -2.676 -1.485 -2.194 1.00 0.00 C +ATOM 79 O GLN A 5 -2.183 -2.586 -2.432 1.00 0.00 O +ATOM 80 CB GLN A 5 -4.133 -0.239 -3.843 1.00 0.00 C +ATOM 81 CG GLN A 5 -5.217 -0.612 -4.859 1.00 0.00 C +ATOM 82 CD GLN A 5 -5.369 0.472 -5.923 1.00 0.00 C +ATOM 83 OE1 GLN A 5 -6.272 1.289 -5.876 1.00 0.00 O +ATOM 84 NE2 GLN A 5 -4.484 0.535 -6.899 1.00 0.00 N +ATOM 85 H GLN A 5 -5.264 0.324 -1.655 1.00 0.00 H +ATOM 86 HA GLN A 5 -4.559 -2.141 -2.917 1.00 0.00 H +ATOM 87 HB2 GLN A 5 -4.314 0.761 -3.498 1.00 0.00 H +ATOM 88 HB3 GLN A 5 -3.168 -0.273 -4.350 1.00 0.00 H +ATOM 89 HG2 GLN A 5 -4.948 -1.535 -5.335 1.00 0.00 H +ATOM 90 HG3 GLN A 5 -6.173 -0.735 -4.347 1.00 0.00 H +ATOM 91 HE21 GLN A 5 -3.716 -0.109 -6.984 1.00 0.00 H +ATOM 92 HE22 GLN A 5 -4.657 1.272 -7.562 1.00 0.00 H +ATOM 93 N TRP A 6 -2.015 -0.526 -1.535 1.00 0.00 N +ATOM 94 CA TRP A 6 -0.661 -0.714 -1.009 1.00 0.00 C +ATOM 95 C TRP A 6 -0.581 -1.833 0.042 1.00 0.00 C +ATOM 96 O TRP A 6 0.287 -2.706 -0.046 1.00 0.00 O +ATOM 97 CB TRP A 6 -0.147 0.614 -0.453 1.00 0.00 C +ATOM 98 CG TRP A 6 1.240 0.540 0.100 1.00 0.00 C +ATOM 99 CD1 TRP A 6 2.369 0.426 -0.635 1.00 0.00 C +ATOM 100 CD2 TRP A 6 1.668 0.524 1.498 1.00 0.00 C +ATOM 101 NE1 TRP A 6 3.457 0.329 0.207 1.00 0.00 N +ATOM 102 CE2 TRP A 6 3.087 0.401 1.528 1.00 0.00 C +ATOM 103 CE3 TRP A 6 1.008 0.607 2.744 1.00 0.00 C +ATOM 104 CZ2 TRP A 6 3.824 0.375 2.719 1.00 0.00 C +ATOM 105 CZ3 TRP A 6 1.737 0.578 3.950 1.00 0.00 C +ATOM 106 CH2 TRP A 6 3.140 0.468 3.941 1.00 0.00 C +ATOM 107 H TRP A 6 -2.482 0.369 -1.404 1.00 0.00 H +ATOM 108 HA TRP A 6 -0.009 -1.011 -1.832 1.00 0.00 H +ATOM 109 HB2 TRP A 6 -0.158 1.339 -1.244 1.00 0.00 H +ATOM 110 HB3 TRP A 6 -0.819 0.959 0.333 1.00 0.00 H +ATOM 111 HD1 TRP A 6 2.409 0.399 -1.716 1.00 0.00 H +ATOM 112 HE1 TRP A 6 4.432 0.245 -0.091 1.00 0.00 H +ATOM 113 HE3 TRP A 6 -0.065 0.714 2.764 1.00 0.00 H +ATOM 114 HZ2 TRP A 6 4.901 0.285 2.682 1.00 0.00 H +ATOM 115 HZ3 TRP A 6 1.222 0.668 4.895 1.00 0.00 H +ATOM 116 HH2 TRP A 6 3.687 0.462 4.872 1.00 0.00 H +ATOM 117 N LEU A 7 -1.500 -1.852 1.018 1.00 0.00 N +ATOM 118 CA LEU A 7 -1.566 -2.933 2.003 1.00 0.00 C +ATOM 119 C LEU A 7 -1.887 -4.289 1.365 1.00 0.00 C +ATOM 120 O LEU A 7 -1.341 -5.295 1.810 1.00 0.00 O +ATOM 121 CB LEU A 7 -2.578 -2.606 3.117 1.00 0.00 C +ATOM 122 CG LEU A 7 -2.079 -1.558 4.127 1.00 0.00 C +ATOM 123 CD1 LEU A 7 -3.224 -1.188 5.075 1.00 0.00 C +ATOM 124 CD2 LEU A 7 -0.891 -2.038 4.980 1.00 0.00 C +ATOM 125 H LEU A 7 -2.182 -1.096 1.068 1.00 0.00 H +ATOM 126 HA LEU A 7 -0.574 -3.041 2.436 1.00 0.00 H +ATOM 127 HB2 LEU A 7 -3.475 -2.234 2.660 1.00 0.00 H +ATOM 128 HB3 LEU A 7 -2.812 -3.520 3.665 1.00 0.00 H +ATOM 129 HG LEU A 7 -1.776 -0.664 3.583 1.00 0.00 H +ATOM 130 HD11 LEU A 7 -4.066 -0.795 4.505 1.00 0.00 H +ATOM 131 HD12 LEU A 7 -3.553 -2.070 5.626 1.00 0.00 H +ATOM 132 HD13 LEU A 7 -2.889 -0.433 5.787 1.00 0.00 H +ATOM 133 HD21 LEU A 7 -1.235 -2.453 5.927 1.00 0.00 H +ATOM 134 HD22 LEU A 7 -0.314 -2.808 4.473 1.00 0.00 H +ATOM 135 HD23 LEU A 7 -0.234 -1.196 5.184 1.00 0.00 H +ATOM 136 N LYS A 8 -2.711 -4.325 0.308 1.00 0.00 N +ATOM 137 CA LYS A 8 -3.090 -5.545 -0.417 1.00 0.00 C +ATOM 138 C LYS A 8 -1.889 -6.299 -0.992 1.00 0.00 C +ATOM 139 O LYS A 8 -1.885 -7.526 -0.985 1.00 0.00 O +ATOM 140 CB LYS A 8 -4.077 -5.189 -1.537 1.00 0.00 C +ATOM 141 CG LYS A 8 -4.961 -6.377 -1.915 1.00 0.00 C +ATOM 142 CD LYS A 8 -6.092 -5.927 -2.853 1.00 0.00 C +ATOM 143 CE LYS A 8 -6.345 -6.989 -3.925 1.00 0.00 C +ATOM 144 NZ LYS A 8 -7.706 -6.871 -4.496 1.00 0.00 N +ATOM 145 H LYS A 8 -3.163 -3.451 0.044 1.00 0.00 H +ATOM 146 HA LYS A 8 -3.576 -6.217 0.293 1.00 0.00 H +ATOM 147 HB2 LYS A 8 -4.702 -4.383 -1.205 1.00 0.00 H +ATOM 148 HB3 LYS A 8 -3.527 -4.857 -2.421 1.00 0.00 H +ATOM 149 HG2 LYS A 8 -4.364 -7.118 -2.411 1.00 0.00 H +ATOM 150 HG3 LYS A 8 -5.410 -6.796 -1.012 1.00 0.00 H +ATOM 151 HD2 LYS A 8 -6.988 -5.780 -2.282 1.00 0.00 H +ATOM 152 HD3 LYS A 8 -5.831 -4.988 -3.347 1.00 0.00 H +ATOM 153 HE2 LYS A 8 -5.625 -6.869 -4.712 1.00 0.00 H +ATOM 154 HE3 LYS A 8 -6.210 -7.979 -3.483 1.00 0.00 H +ATOM 155 HZ1 LYS A 8 -8.393 -7.094 -3.788 1.00 0.00 H +ATOM 156 HZ2 LYS A 8 -7.869 -5.930 -4.825 1.00 0.00 H +ATOM 157 HZ3 LYS A 8 -7.818 -7.515 -5.269 1.00 0.00 H +ATOM 158 N ASP A 9 -0.879 -5.565 -1.461 1.00 0.00 N +ATOM 159 CA ASP A 9 0.388 -6.124 -1.938 1.00 0.00 C +ATOM 160 C ASP A 9 1.241 -6.707 -0.792 1.00 0.00 C +ATOM 161 O ASP A 9 2.087 -7.564 -1.026 1.00 0.00 O +ATOM 162 CB ASP A 9 1.146 -5.019 -2.691 1.00 0.00 C +ATOM 163 CG ASP A 9 2.006 -5.586 -3.819 1.00 0.00 C +ATOM 164 OD1 ASP A 9 3.181 -5.908 -3.534 1.00 0.00 O +ATOM 165 OD2 ASP A 9 1.487 -5.664 -4.954 1.00 0.00 O +ATOM 166 H ASP A 9 -0.992 -4.558 -1.468 1.00 0.00 H +ATOM 167 HA ASP A 9 0.170 -6.935 -2.635 1.00 0.00 H +ATOM 168 HB2 ASP A 9 0.435 -4.333 -3.108 1.00 0.00 H +ATOM 169 HB3 ASP A 9 1.772 -4.458 -1.992 1.00 0.00 H +ATOM 170 N GLY A 10 0.985 -6.274 0.450 1.00 0.00 N +ATOM 171 CA GLY A 10 1.737 -6.639 1.646 1.00 0.00 C +ATOM 172 C GLY A 10 2.495 -5.468 2.278 1.00 0.00 C +ATOM 173 O GLY A 10 3.461 -5.715 3.003 1.00 0.00 O +ATOM 174 H GLY A 10 0.165 -5.692 0.580 1.00 0.00 H +ATOM 175 HA2 GLY A 10 1.039 -7.025 2.389 1.00 0.00 H +ATOM 176 HA3 GLY A 10 2.442 -7.433 1.411 1.00 0.00 H +ATOM 177 N GLY A 11 2.110 -4.213 1.995 1.00 0.00 N +ATOM 178 CA GLY A 11 2.673 -3.013 2.615 1.00 0.00 C +ATOM 179 C GLY A 11 4.207 -2.948 2.501 1.00 0.00 C +ATOM 180 O GLY A 11 4.725 -3.042 1.386 1.00 0.00 O +ATOM 181 H GLY A 11 1.398 -4.072 1.288 1.00 0.00 H +ATOM 182 HA2 GLY A 11 2.258 -2.139 2.116 1.00 0.00 H +ATOM 183 HA3 GLY A 11 2.357 -2.986 3.655 1.00 0.00 H +ATOM 184 N PRO A 12 4.960 -2.809 3.616 1.00 0.00 N +ATOM 185 CA PRO A 12 6.424 -2.779 3.578 1.00 0.00 C +ATOM 186 C PRO A 12 7.069 -4.028 2.960 1.00 0.00 C +ATOM 187 O PRO A 12 8.189 -3.932 2.461 1.00 0.00 O +ATOM 188 CB PRO A 12 6.890 -2.607 5.031 1.00 0.00 C +ATOM 189 CG PRO A 12 5.663 -2.077 5.767 1.00 0.00 C +ATOM 190 CD PRO A 12 4.496 -2.685 4.991 1.00 0.00 C +ATOM 191 HA PRO A 12 6.736 -1.908 3.002 1.00 0.00 H +ATOM 192 HB2 PRO A 12 7.202 -3.547 5.443 1.00 0.00 H +ATOM 193 HB3 PRO A 12 7.726 -1.910 5.099 1.00 0.00 H +ATOM 194 HG2 PRO A 12 5.657 -2.404 6.789 1.00 0.00 H +ATOM 195 HG3 PRO A 12 5.630 -0.990 5.687 1.00 0.00 H +ATOM 196 HD2 PRO A 12 4.243 -3.649 5.389 1.00 0.00 H +ATOM 197 HD3 PRO A 12 3.623 -2.038 5.075 1.00 0.00 H +ATOM 198 N SER A 13 6.387 -5.186 2.959 1.00 0.00 N +ATOM 199 CA SER A 13 6.949 -6.443 2.439 1.00 0.00 C +ATOM 200 C SER A 13 7.314 -6.364 0.949 1.00 0.00 C +ATOM 201 O SER A 13 8.295 -6.974 0.530 1.00 0.00 O +ATOM 202 CB SER A 13 6.004 -7.621 2.705 1.00 0.00 C +ATOM 203 OG SER A 13 4.930 -7.624 1.798 1.00 0.00 O +ATOM 204 H SER A 13 5.432 -5.191 3.307 1.00 0.00 H +ATOM 205 HA SER A 13 7.871 -6.641 2.985 1.00 0.00 H +ATOM 206 HB2 SER A 13 6.551 -8.539 2.604 1.00 0.00 H +ATOM 207 HB3 SER A 13 5.606 -7.556 3.718 1.00 0.00 H +ATOM 208 HG SER A 13 4.348 -6.883 2.036 1.00 0.00 H +ATOM 209 N SER A 14 6.579 -5.561 0.169 1.00 0.00 N +ATOM 210 CA SER A 14 6.820 -5.327 -1.256 1.00 0.00 C +ATOM 211 C SER A 14 7.922 -4.294 -1.522 1.00 0.00 C +ATOM 212 O SER A 14 8.242 -4.017 -2.677 1.00 0.00 O +ATOM 213 CB SER A 14 5.537 -4.831 -1.928 1.00 0.00 C +ATOM 214 OG SER A 14 4.441 -5.626 -1.548 1.00 0.00 O +ATOM 215 H SER A 14 5.746 -5.132 0.560 1.00 0.00 H +ATOM 216 HA SER A 14 7.104 -6.271 -1.725 1.00 0.00 H +ATOM 217 HB2 SER A 14 5.355 -3.815 -1.634 1.00 0.00 H +ATOM 218 HB3 SER A 14 5.656 -4.884 -3.011 1.00 0.00 H +ATOM 219 HG SER A 14 3.881 -5.799 -2.406 1.00 0.00 H +ATOM 220 N GLY A 15 8.461 -3.653 -0.477 1.00 0.00 N +ATOM 221 CA GLY A 15 9.520 -2.646 -0.549 1.00 0.00 C +ATOM 222 C GLY A 15 9.063 -1.246 -0.987 1.00 0.00 C +ATOM 223 O GLY A 15 9.688 -0.260 -0.601 1.00 0.00 O +ATOM 224 H GLY A 15 8.144 -3.918 0.453 1.00 0.00 H +ATOM 225 HA2 GLY A 15 9.982 -2.562 0.434 1.00 0.00 H +ATOM 226 HA3 GLY A 15 10.282 -2.988 -1.252 1.00 0.00 H +ATOM 227 N ARG A 16 7.983 -1.136 -1.775 1.00 0.00 N +ATOM 228 CA ARG A 16 7.407 0.144 -2.217 1.00 0.00 C +ATOM 229 C ARG A 16 6.873 0.959 -1.017 1.00 0.00 C +ATOM 230 O ARG A 16 6.188 0.381 -0.171 1.00 0.00 O +ATOM 231 CB ARG A 16 6.295 -0.134 -3.247 1.00 0.00 C +ATOM 232 CG ARG A 16 5.773 1.159 -3.895 1.00 0.00 C +ATOM 233 CD ARG A 16 4.638 0.926 -4.896 1.00 0.00 C +ATOM 234 NE ARG A 16 5.119 0.301 -6.142 1.00 0.00 N +ATOM 235 CZ ARG A 16 4.470 0.248 -7.298 1.00 0.00 C +ATOM 236 NH1 ARG A 16 3.270 0.763 -7.440 1.00 0.00 N +ATOM 237 NH2 ARG A 16 5.020 -0.326 -8.342 1.00 0.00 N +ATOM 238 H ARG A 16 7.569 -2.007 -2.081 1.00 0.00 H +ATOM 239 HA ARG A 16 8.207 0.703 -2.701 1.00 0.00 H +ATOM 240 HB2 ARG A 16 6.686 -0.773 -4.015 1.00 0.00 H +ATOM 241 HB3 ARG A 16 5.468 -0.652 -2.755 1.00 0.00 H +ATOM 242 HG2 ARG A 16 5.414 1.807 -3.119 1.00 0.00 H +ATOM 243 HG3 ARG A 16 6.591 1.664 -4.410 1.00 0.00 H +ATOM 244 HD2 ARG A 16 3.906 0.283 -4.446 1.00 0.00 H +ATOM 245 HD3 ARG A 16 4.201 1.899 -5.127 1.00 0.00 H +ATOM 246 HE ARG A 16 6.032 -0.122 -6.114 1.00 0.00 H +ATOM 247 HH11 ARG A 16 2.845 1.192 -6.637 1.00 0.00 H +ATOM 248 HH12 ARG A 16 2.779 0.716 -8.314 1.00 0.00 H +ATOM 249 HH21 ARG A 16 5.933 -0.740 -8.273 1.00 0.00 H +ATOM 250 HH22 ARG A 16 4.520 -0.368 -9.211 1.00 0.00 H +ATOM 251 N PRO A 17 7.105 2.288 -0.945 1.00 0.00 N +ATOM 252 CA PRO A 17 6.592 3.134 0.139 1.00 0.00 C +ATOM 253 C PRO A 17 5.058 3.310 0.093 1.00 0.00 C +ATOM 254 O PRO A 17 4.451 3.102 -0.962 1.00 0.00 O +ATOM 255 CB PRO A 17 7.309 4.480 -0.034 1.00 0.00 C +ATOM 256 CG PRO A 17 7.588 4.545 -1.531 1.00 0.00 C +ATOM 257 CD PRO A 17 7.889 3.089 -1.878 1.00 0.00 C +ATOM 258 HA PRO A 17 6.871 2.694 1.095 1.00 0.00 H +ATOM 259 HB2 PRO A 17 6.679 5.292 0.274 1.00 0.00 H +ATOM 260 HB3 PRO A 17 8.253 4.460 0.511 1.00 0.00 H +ATOM 261 HG2 PRO A 17 6.731 4.902 -2.069 1.00 0.00 H +ATOM 262 HG3 PRO A 17 8.431 5.198 -1.763 1.00 0.00 H +ATOM 263 HD2 PRO A 17 7.597 2.878 -2.889 1.00 0.00 H +ATOM 264 HD3 PRO A 17 8.949 2.883 -1.728 1.00 0.00 H +ATOM 265 N PRO A 18 4.425 3.724 1.211 1.00 0.00 N +ATOM 266 CA PRO A 18 2.983 3.945 1.275 1.00 0.00 C +ATOM 267 C PRO A 18 2.554 5.198 0.492 1.00 0.00 C +ATOM 268 O PRO A 18 3.293 6.183 0.449 1.00 0.00 O +ATOM 269 CB PRO A 18 2.654 4.089 2.764 1.00 0.00 C +ATOM 270 CG PRO A 18 3.948 4.624 3.370 1.00 0.00 C +ATOM 271 CD PRO A 18 5.036 3.983 2.507 1.00 0.00 C +ATOM 272 HA PRO A 18 2.476 3.068 0.878 1.00 0.00 H +ATOM 273 HB2 PRO A 18 1.847 4.781 2.913 1.00 0.00 H +ATOM 274 HB3 PRO A 18 2.438 3.109 3.186 1.00 0.00 H +ATOM 275 HG2 PRO A 18 3.988 5.694 3.306 1.00 0.00 H +ATOM 276 HG3 PRO A 18 4.049 4.343 4.419 1.00 0.00 H +ATOM 277 HD2 PRO A 18 5.868 4.652 2.399 1.00 0.00 H +ATOM 278 HD3 PRO A 18 5.351 3.039 2.955 1.00 0.00 H +ATOM 279 N PRO A 19 1.342 5.203 -0.093 1.00 0.00 N +ATOM 280 CA PRO A 19 0.805 6.357 -0.803 1.00 0.00 C +ATOM 281 C PRO A 19 0.320 7.423 0.190 1.00 0.00 C +ATOM 282 O PRO A 19 -0.257 7.100 1.229 1.00 0.00 O +ATOM 283 CB PRO A 19 -0.339 5.795 -1.648 1.00 0.00 C +ATOM 284 CG PRO A 19 -0.864 4.631 -0.807 1.00 0.00 C +ATOM 285 CD PRO A 19 0.380 4.112 -0.089 1.00 0.00 C +ATOM 286 HA PRO A 19 1.566 6.787 -1.457 1.00 0.00 H +ATOM 287 HB2 PRO A 19 -1.102 6.533 -1.800 1.00 0.00 H +ATOM 288 HB3 PRO A 19 0.063 5.409 -2.586 1.00 0.00 H +ATOM 289 HG2 PRO A 19 -1.599 4.969 -0.102 1.00 0.00 H +ATOM 290 HG3 PRO A 19 -1.304 3.856 -1.430 1.00 0.00 H +ATOM 291 HD2 PRO A 19 0.138 3.834 0.919 1.00 0.00 H +ATOM 292 HD3 PRO A 19 0.800 3.273 -0.642 1.00 0.00 H +ATOM 293 N SER A 20 0.540 8.696 -0.154 1.00 0.00 N +ATOM 294 CA SER A 20 0.107 9.883 0.597 1.00 0.00 C +ATOM 295 C SER A 20 -0.517 10.892 -0.359 1.00 0.00 C +ATOM 296 O SER A 20 0.173 11.221 -1.351 1.00 0.00 O +ATOM 297 CB SER A 20 1.287 10.518 1.338 1.00 0.00 C +ATOM 298 OG SER A 20 1.823 9.586 2.254 1.00 0.00 O +ATOM 299 OXT SER A 20 -1.676 11.275 -0.100 1.00 0.00 O +ATOM 300 H SER A 20 0.976 8.906 -1.042 1.00 0.00 H +ATOM 301 HA SER A 20 -0.660 9.612 1.323 1.00 0.00 H +ATOM 302 HB2 SER A 20 2.043 10.801 0.631 1.00 0.00 H +ATOM 303 HB3 SER A 20 0.947 11.404 1.878 1.00 0.00 H +ATOM 304 HG SER A 20 1.894 8.744 1.792 1.00 0.00 H +TER 305 SER A 20 +ENDMDL +MODEL 12 +ATOM 1 N ASN A 1 -4.775 8.349 0.978 1.00 0.00 N +ATOM 2 CA ASN A 1 -5.666 7.501 0.145 1.00 0.00 C +ATOM 3 C ASN A 1 -4.883 6.315 -0.422 1.00 0.00 C +ATOM 4 O ASN A 1 -3.710 6.189 -0.099 1.00 0.00 O +ATOM 5 CB ASN A 1 -6.368 8.312 -0.963 1.00 0.00 C +ATOM 6 CG ASN A 1 -7.731 7.695 -1.245 1.00 0.00 C +ATOM 7 OD1 ASN A 1 -8.561 7.621 -0.357 1.00 0.00 O +ATOM 8 ND2 ASN A 1 -7.984 7.161 -2.427 1.00 0.00 N +ATOM 9 H1 ASN A 1 -4.291 7.782 1.665 1.00 0.00 H +ATOM 10 H2 ASN A 1 -4.059 8.774 0.407 1.00 0.00 H +ATOM 11 H3 ASN A 1 -5.305 9.067 1.452 1.00 0.00 H +ATOM 12 HA ASN A 1 -6.445 7.096 0.797 1.00 0.00 H +ATOM 13 HB2 ASN A 1 -6.493 9.328 -0.640 1.00 0.00 H +ATOM 14 HB3 ASN A 1 -5.758 8.337 -1.869 1.00 0.00 H +ATOM 15 HD21 ASN A 1 -7.370 7.224 -3.224 1.00 0.00 H +ATOM 16 HD22 ASN A 1 -8.930 6.818 -2.517 1.00 0.00 H +ATOM 17 N LEU A 2 -5.505 5.439 -1.230 1.00 0.00 N +ATOM 18 CA LEU A 2 -4.870 4.301 -1.933 1.00 0.00 C +ATOM 19 C LEU A 2 -4.253 3.217 -1.013 1.00 0.00 C +ATOM 20 O LEU A 2 -3.725 2.212 -1.488 1.00 0.00 O +ATOM 21 CB LEU A 2 -3.879 4.858 -2.987 1.00 0.00 C +ATOM 22 CG LEU A 2 -3.862 4.103 -4.338 1.00 0.00 C +ATOM 23 CD1 LEU A 2 -3.942 5.102 -5.500 1.00 0.00 C +ATOM 24 CD2 LEU A 2 -2.594 3.266 -4.529 1.00 0.00 C +ATOM 25 H LEU A 2 -6.484 5.595 -1.443 1.00 0.00 H +ATOM 26 HA LEU A 2 -5.671 3.797 -2.474 1.00 0.00 H +ATOM 27 HB2 LEU A 2 -4.141 5.880 -3.181 1.00 0.00 H +ATOM 28 HB3 LEU A 2 -2.875 4.881 -2.566 1.00 0.00 H +ATOM 29 HG LEU A 2 -4.728 3.445 -4.407 1.00 0.00 H +ATOM 30 HD11 LEU A 2 -4.863 5.680 -5.430 1.00 0.00 H +ATOM 31 HD12 LEU A 2 -3.088 5.780 -5.472 1.00 0.00 H +ATOM 32 HD13 LEU A 2 -3.942 4.567 -6.450 1.00 0.00 H +ATOM 33 HD21 LEU A 2 -1.714 3.909 -4.532 1.00 0.00 H +ATOM 34 HD22 LEU A 2 -2.501 2.537 -3.726 1.00 0.00 H +ATOM 35 HD23 LEU A 2 -2.650 2.733 -5.479 1.00 0.00 H +ATOM 36 N TYR A 3 -4.358 3.387 0.311 1.00 0.00 N +ATOM 37 CA TYR A 3 -3.724 2.561 1.334 1.00 0.00 C +ATOM 38 C TYR A 3 -4.131 1.084 1.243 1.00 0.00 C +ATOM 39 O TYR A 3 -3.272 0.213 1.349 1.00 0.00 O +ATOM 40 CB TYR A 3 -4.034 3.171 2.713 1.00 0.00 C +ATOM 41 CG TYR A 3 -3.135 2.703 3.842 1.00 0.00 C +ATOM 42 CD1 TYR A 3 -1.737 2.851 3.727 1.00 0.00 C +ATOM 43 CD2 TYR A 3 -3.685 2.171 5.024 1.00 0.00 C +ATOM 44 CE1 TYR A 3 -0.891 2.412 4.759 1.00 0.00 C +ATOM 45 CE2 TYR A 3 -2.842 1.741 6.067 1.00 0.00 C +ATOM 46 CZ TYR A 3 -1.438 1.829 5.920 1.00 0.00 C +ATOM 47 OH TYR A 3 -0.611 1.332 6.879 1.00 0.00 O +ATOM 48 H TYR A 3 -4.748 4.266 0.609 1.00 0.00 H +ATOM 49 HA TYR A 3 -2.648 2.608 1.169 1.00 0.00 H +ATOM 50 HB2 TYR A 3 -3.940 4.237 2.633 1.00 0.00 H +ATOM 51 HB3 TYR A 3 -5.076 2.964 2.965 1.00 0.00 H +ATOM 52 HD1 TYR A 3 -1.301 3.304 2.848 1.00 0.00 H +ATOM 53 HD2 TYR A 3 -4.757 2.089 5.139 1.00 0.00 H +ATOM 54 HE1 TYR A 3 0.181 2.515 4.674 1.00 0.00 H +ATOM 55 HE2 TYR A 3 -3.268 1.331 6.971 1.00 0.00 H +ATOM 56 HH TYR A 3 -1.077 0.804 7.527 1.00 0.00 H +ATOM 57 N ILE A 4 -5.411 0.798 0.958 1.00 0.00 N +ATOM 58 CA ILE A 4 -5.929 -0.561 0.735 1.00 0.00 C +ATOM 59 C ILE A 4 -5.151 -1.265 -0.392 1.00 0.00 C +ATOM 60 O ILE A 4 -4.770 -2.424 -0.234 1.00 0.00 O +ATOM 61 CB ILE A 4 -7.448 -0.558 0.412 1.00 0.00 C +ATOM 62 CG1 ILE A 4 -8.318 0.310 1.355 1.00 0.00 C +ATOM 63 CG2 ILE A 4 -8.010 -2.000 0.433 1.00 0.00 C +ATOM 64 CD1 ILE A 4 -8.502 1.763 0.894 1.00 0.00 C +ATOM 65 H ILE A 4 -6.043 1.576 0.880 1.00 0.00 H +ATOM 66 HA ILE A 4 -5.774 -1.132 1.651 1.00 0.00 H +ATOM 67 HB ILE A 4 -7.573 -0.182 -0.605 1.00 0.00 H +ATOM 68 HG12 ILE A 4 -9.288 -0.144 1.429 1.00 0.00 H +ATOM 69 HG13 ILE A 4 -7.900 0.296 2.364 1.00 0.00 H +ATOM 70 HG21 ILE A 4 -7.241 -2.738 0.216 1.00 0.00 H +ATOM 71 HG22 ILE A 4 -8.427 -2.236 1.414 1.00 0.00 H +ATOM 72 HG23 ILE A 4 -8.799 -2.084 -0.315 1.00 0.00 H +ATOM 73 HD11 ILE A 4 -7.575 2.327 0.979 1.00 0.00 H +ATOM 74 HD12 ILE A 4 -8.846 1.782 -0.141 1.00 0.00 H +ATOM 75 HD13 ILE A 4 -9.256 2.242 1.519 1.00 0.00 H +ATOM 76 N GLN A 5 -4.901 -0.573 -1.513 1.00 0.00 N +ATOM 77 CA GLN A 5 -4.125 -1.106 -2.634 1.00 0.00 C +ATOM 78 C GLN A 5 -2.693 -1.437 -2.204 1.00 0.00 C +ATOM 79 O GLN A 5 -2.251 -2.565 -2.402 1.00 0.00 O +ATOM 80 CB GLN A 5 -4.128 -0.128 -3.830 1.00 0.00 C +ATOM 81 CG GLN A 5 -5.010 -0.590 -5.001 1.00 0.00 C +ATOM 82 CD GLN A 5 -4.334 -0.299 -6.339 1.00 0.00 C +ATOM 83 OE1 GLN A 5 -4.559 0.724 -6.965 1.00 0.00 O +ATOM 84 NE2 GLN A 5 -3.468 -1.181 -6.803 1.00 0.00 N +ATOM 85 H GLN A 5 -5.142 0.409 -1.535 1.00 0.00 H +ATOM 86 HA GLN A 5 -4.578 -2.049 -2.940 1.00 0.00 H +ATOM 87 HB2 GLN A 5 -4.488 0.824 -3.489 1.00 0.00 H +ATOM 88 HB3 GLN A 5 -3.103 -0.020 -4.191 1.00 0.00 H +ATOM 89 HG2 GLN A 5 -5.182 -1.646 -4.916 1.00 0.00 H +ATOM 90 HG3 GLN A 5 -5.966 -0.069 -4.961 1.00 0.00 H +ATOM 91 HE21 GLN A 5 -3.220 -2.017 -6.300 1.00 0.00 H +ATOM 92 HE22 GLN A 5 -3.046 -0.932 -7.681 1.00 0.00 H +ATOM 93 N TRP A 6 -1.990 -0.483 -1.580 1.00 0.00 N +ATOM 94 CA TRP A 6 -0.617 -0.690 -1.102 1.00 0.00 C +ATOM 95 C TRP A 6 -0.505 -1.806 -0.047 1.00 0.00 C +ATOM 96 O TRP A 6 0.434 -2.605 -0.072 1.00 0.00 O +ATOM 97 CB TRP A 6 -0.075 0.634 -0.556 1.00 0.00 C +ATOM 98 CG TRP A 6 1.309 0.540 0.003 1.00 0.00 C +ATOM 99 CD1 TRP A 6 2.446 0.522 -0.728 1.00 0.00 C +ATOM 100 CD2 TRP A 6 1.725 0.405 1.396 1.00 0.00 C +ATOM 101 NE1 TRP A 6 3.531 0.366 0.112 1.00 0.00 N +ATOM 102 CE2 TRP A 6 3.148 0.312 1.431 1.00 0.00 C +ATOM 103 CE3 TRP A 6 1.050 0.354 2.636 1.00 0.00 C +ATOM 104 CZ2 TRP A 6 3.871 0.207 2.626 1.00 0.00 C +ATOM 105 CZ3 TRP A 6 1.766 0.241 3.845 1.00 0.00 C +ATOM 106 CH2 TRP A 6 3.172 0.180 3.843 1.00 0.00 C +ATOM 107 H TRP A 6 -2.436 0.418 -1.445 1.00 0.00 H +ATOM 108 HA TRP A 6 0.001 -0.996 -1.948 1.00 0.00 H +ATOM 109 HB2 TRP A 6 -0.069 1.351 -1.354 1.00 0.00 H +ATOM 110 HB3 TRP A 6 -0.741 0.996 0.231 1.00 0.00 H +ATOM 111 HD1 TRP A 6 2.490 0.606 -1.806 1.00 0.00 H +ATOM 112 HE1 TRP A 6 4.506 0.317 -0.195 1.00 0.00 H +ATOM 113 HE3 TRP A 6 -0.028 0.413 2.652 1.00 0.00 H +ATOM 114 HZ2 TRP A 6 4.948 0.144 2.596 1.00 0.00 H +ATOM 115 HZ3 TRP A 6 1.233 0.211 4.786 1.00 0.00 H +ATOM 116 HH2 TRP A 6 3.712 0.109 4.775 1.00 0.00 H +ATOM 117 N LEU A 7 -1.478 -1.903 0.868 1.00 0.00 N +ATOM 118 CA LEU A 7 -1.565 -3.023 1.803 1.00 0.00 C +ATOM 119 C LEU A 7 -1.788 -4.359 1.077 1.00 0.00 C +ATOM 120 O LEU A 7 -1.184 -5.351 1.478 1.00 0.00 O +ATOM 121 CB LEU A 7 -2.659 -2.772 2.854 1.00 0.00 C +ATOM 122 CG LEU A 7 -2.323 -1.690 3.899 1.00 0.00 C +ATOM 123 CD1 LEU A 7 -3.521 -1.550 4.842 1.00 0.00 C +ATOM 124 CD2 LEU A 7 -1.085 -2.027 4.739 1.00 0.00 C +ATOM 125 H LEU A 7 -2.200 -1.184 0.892 1.00 0.00 H +ATOM 126 HA LEU A 7 -0.606 -3.120 2.310 1.00 0.00 H +ATOM 127 HB2 LEU A 7 -3.552 -2.472 2.340 1.00 0.00 H +ATOM 128 HB3 LEU A 7 -2.840 -3.707 3.385 1.00 0.00 H +ATOM 129 HG LEU A 7 -2.150 -0.733 3.410 1.00 0.00 H +ATOM 130 HD11 LEU A 7 -4.397 -1.228 4.278 1.00 0.00 H +ATOM 131 HD12 LEU A 7 -3.729 -2.502 5.330 1.00 0.00 H +ATOM 132 HD13 LEU A 7 -3.305 -0.807 5.605 1.00 0.00 H +ATOM 133 HD21 LEU A 7 -1.199 -3.007 5.202 1.00 0.00 H +ATOM 134 HD22 LEU A 7 -0.194 -2.019 4.114 1.00 0.00 H +ATOM 135 HD23 LEU A 7 -0.952 -1.273 5.515 1.00 0.00 H +ATOM 136 N LYS A 8 -2.578 -4.390 -0.010 1.00 0.00 N +ATOM 137 CA LYS A 8 -2.803 -5.590 -0.835 1.00 0.00 C +ATOM 138 C LYS A 8 -1.523 -6.177 -1.436 1.00 0.00 C +ATOM 139 O LYS A 8 -1.444 -7.395 -1.565 1.00 0.00 O +ATOM 140 CB LYS A 8 -3.841 -5.306 -1.943 1.00 0.00 C +ATOM 141 CG LYS A 8 -5.102 -6.183 -1.820 1.00 0.00 C +ATOM 142 CD LYS A 8 -6.388 -5.360 -1.964 1.00 0.00 C +ATOM 143 CE LYS A 8 -7.575 -6.172 -1.439 1.00 0.00 C +ATOM 144 NZ LYS A 8 -8.803 -5.348 -1.365 1.00 0.00 N +ATOM 145 H LYS A 8 -3.058 -3.531 -0.269 1.00 0.00 H +ATOM 146 HA LYS A 8 -3.176 -6.367 -0.170 1.00 0.00 H +ATOM 147 HB2 LYS A 8 -4.133 -4.275 -1.883 1.00 0.00 H +ATOM 148 HB3 LYS A 8 -3.394 -5.473 -2.925 1.00 0.00 H +ATOM 149 HG2 LYS A 8 -5.081 -6.931 -2.589 1.00 0.00 H +ATOM 150 HG3 LYS A 8 -5.122 -6.674 -0.847 1.00 0.00 H +ATOM 151 HD2 LYS A 8 -6.297 -4.453 -1.399 1.00 0.00 H +ATOM 152 HD3 LYS A 8 -6.539 -5.092 -3.010 1.00 0.00 H +ATOM 153 HE2 LYS A 8 -7.750 -7.001 -2.098 1.00 0.00 H +ATOM 154 HE3 LYS A 8 -7.320 -6.540 -0.441 1.00 0.00 H +ATOM 155 HZ1 LYS A 8 -8.641 -4.541 -0.776 1.00 0.00 H +ATOM 156 HZ2 LYS A 8 -9.066 -5.030 -2.289 1.00 0.00 H +ATOM 157 HZ3 LYS A 8 -9.564 -5.888 -0.973 1.00 0.00 H +ATOM 158 N ASP A 9 -0.517 -5.351 -1.751 1.00 0.00 N +ATOM 159 CA ASP A 9 0.810 -5.841 -2.151 1.00 0.00 C +ATOM 160 C ASP A 9 1.554 -6.575 -1.011 1.00 0.00 C +ATOM 161 O ASP A 9 2.438 -7.380 -1.298 1.00 0.00 O +ATOM 162 CB ASP A 9 1.696 -4.676 -2.632 1.00 0.00 C +ATOM 163 CG ASP A 9 1.245 -3.986 -3.921 1.00 0.00 C +ATOM 164 OD1 ASP A 9 1.597 -4.502 -5.006 1.00 0.00 O +ATOM 165 OD2 ASP A 9 0.666 -2.883 -3.811 1.00 0.00 O +ATOM 166 H ASP A 9 -0.685 -4.351 -1.702 1.00 0.00 H +ATOM 167 HA ASP A 9 0.696 -6.548 -2.974 1.00 0.00 H +ATOM 168 HB2 ASP A 9 1.720 -3.937 -1.854 1.00 0.00 H +ATOM 169 HB3 ASP A 9 2.698 -5.068 -2.815 1.00 0.00 H +ATOM 170 N GLY A 10 1.225 -6.295 0.263 1.00 0.00 N +ATOM 171 CA GLY A 10 1.982 -6.737 1.446 1.00 0.00 C +ATOM 172 C GLY A 10 2.507 -5.606 2.352 1.00 0.00 C +ATOM 173 O GLY A 10 3.317 -5.867 3.245 1.00 0.00 O +ATOM 174 H GLY A 10 0.375 -5.762 0.424 1.00 0.00 H +ATOM 175 HA2 GLY A 10 1.336 -7.376 2.049 1.00 0.00 H +ATOM 176 HA3 GLY A 10 2.840 -7.334 1.133 1.00 0.00 H +ATOM 177 N GLY A 11 2.078 -4.353 2.136 1.00 0.00 N +ATOM 178 CA GLY A 11 2.489 -3.194 2.933 1.00 0.00 C +ATOM 179 C GLY A 11 4.018 -3.015 3.017 1.00 0.00 C +ATOM 180 O GLY A 11 4.676 -2.975 1.975 1.00 0.00 O +ATOM 181 H GLY A 11 1.434 -4.188 1.373 1.00 0.00 H +ATOM 182 HA2 GLY A 11 2.070 -2.296 2.478 1.00 0.00 H +ATOM 183 HA3 GLY A 11 2.056 -3.301 3.926 1.00 0.00 H +ATOM 184 N PRO A 12 4.624 -2.897 4.222 1.00 0.00 N +ATOM 185 CA PRO A 12 6.074 -2.717 4.372 1.00 0.00 C +ATOM 186 C PRO A 12 6.928 -3.824 3.735 1.00 0.00 C +ATOM 187 O PRO A 12 8.086 -3.582 3.404 1.00 0.00 O +ATOM 188 CB PRO A 12 6.342 -2.659 5.880 1.00 0.00 C +ATOM 189 CG PRO A 12 4.997 -2.271 6.487 1.00 0.00 C +ATOM 190 CD PRO A 12 3.985 -2.895 5.530 1.00 0.00 C +ATOM 191 HA PRO A 12 6.352 -1.763 3.924 1.00 0.00 H +ATOM 192 HB2 PRO A 12 6.663 -3.615 6.246 1.00 0.00 H +ATOM 193 HB3 PRO A 12 7.115 -1.929 6.121 1.00 0.00 H +ATOM 194 HG2 PRO A 12 4.891 -2.675 7.475 1.00 0.00 H +ATOM 195 HG3 PRO A 12 4.893 -1.186 6.477 1.00 0.00 H +ATOM 196 HD2 PRO A 12 3.753 -3.898 5.834 1.00 0.00 H +ATOM 197 HD3 PRO A 12 3.065 -2.308 5.536 1.00 0.00 H +ATOM 198 N SER A 13 6.371 -5.030 3.550 1.00 0.00 N +ATOM 199 CA SER A 13 7.084 -6.170 2.958 1.00 0.00 C +ATOM 200 C SER A 13 7.083 -6.156 1.418 1.00 0.00 C +ATOM 201 O SER A 13 7.625 -7.072 0.804 1.00 0.00 O +ATOM 202 CB SER A 13 6.515 -7.484 3.508 1.00 0.00 C +ATOM 203 OG SER A 13 6.707 -7.539 4.910 1.00 0.00 O +ATOM 204 H SER A 13 5.380 -5.139 3.743 1.00 0.00 H +ATOM 205 HA SER A 13 8.130 -6.125 3.264 1.00 0.00 H +ATOM 206 HB2 SER A 13 5.466 -7.537 3.290 1.00 0.00 H +ATOM 207 HB3 SER A 13 7.033 -8.329 3.054 1.00 0.00 H +ATOM 208 HG SER A 13 6.297 -6.766 5.305 1.00 0.00 H +ATOM 209 N SER A 14 6.505 -5.124 0.784 1.00 0.00 N +ATOM 210 CA SER A 14 6.326 -5.021 -0.674 1.00 0.00 C +ATOM 211 C SER A 14 7.445 -4.276 -1.413 1.00 0.00 C +ATOM 212 O SER A 14 7.363 -4.116 -2.632 1.00 0.00 O +ATOM 213 CB SER A 14 5.029 -4.263 -0.971 1.00 0.00 C +ATOM 214 OG SER A 14 3.953 -4.822 -0.267 1.00 0.00 O +ATOM 215 H SER A 14 6.012 -4.435 1.345 1.00 0.00 H +ATOM 216 HA SER A 14 6.241 -6.022 -1.098 1.00 0.00 H +ATOM 217 HB2 SER A 14 5.146 -3.237 -0.678 1.00 0.00 H +ATOM 218 HB3 SER A 14 4.818 -4.312 -2.040 1.00 0.00 H +ATOM 219 HG SER A 14 3.220 -4.203 -0.295 1.00 0.00 H +ATOM 220 N GLY A 15 8.438 -3.724 -0.707 1.00 0.00 N +ATOM 221 CA GLY A 15 9.507 -2.889 -1.274 1.00 0.00 C +ATOM 222 C GLY A 15 9.063 -1.480 -1.708 1.00 0.00 C +ATOM 223 O GLY A 15 9.798 -0.518 -1.489 1.00 0.00 O +ATOM 224 H GLY A 15 8.430 -3.884 0.291 1.00 0.00 H +ATOM 225 HA2 GLY A 15 10.304 -2.784 -0.538 1.00 0.00 H +ATOM 226 HA3 GLY A 15 9.927 -3.393 -2.147 1.00 0.00 H +ATOM 227 N ARG A 16 7.872 -1.340 -2.309 1.00 0.00 N +ATOM 228 CA ARG A 16 7.271 -0.051 -2.694 1.00 0.00 C +ATOM 229 C ARG A 16 6.858 0.790 -1.462 1.00 0.00 C +ATOM 230 O ARG A 16 6.260 0.241 -0.533 1.00 0.00 O +ATOM 231 CB ARG A 16 6.089 -0.273 -3.662 1.00 0.00 C +ATOM 232 CG ARG A 16 4.953 -1.164 -3.120 1.00 0.00 C +ATOM 233 CD ARG A 16 3.733 -1.249 -4.050 1.00 0.00 C +ATOM 234 NE ARG A 16 4.008 -2.020 -5.278 1.00 0.00 N +ATOM 235 CZ ARG A 16 4.304 -1.553 -6.487 1.00 0.00 C +ATOM 236 NH1 ARG A 16 4.332 -0.266 -6.751 1.00 0.00 N +ATOM 237 NH2 ARG A 16 4.584 -2.382 -7.463 1.00 0.00 N +ATOM 238 H ARG A 16 7.380 -2.207 -2.502 1.00 0.00 H +ATOM 239 HA ARG A 16 8.042 0.496 -3.233 1.00 0.00 H +ATOM 240 HB2 ARG A 16 5.672 0.686 -3.902 1.00 0.00 H +ATOM 241 HB3 ARG A 16 6.479 -0.726 -4.575 1.00 0.00 H +ATOM 242 HG2 ARG A 16 5.339 -2.155 -2.977 1.00 0.00 H +ATOM 243 HG3 ARG A 16 4.607 -0.763 -2.173 1.00 0.00 H +ATOM 244 HD2 ARG A 16 2.929 -1.722 -3.520 1.00 0.00 H +ATOM 245 HD3 ARG A 16 3.380 -0.245 -4.284 1.00 0.00 H +ATOM 246 HE ARG A 16 3.860 -3.017 -5.208 1.00 0.00 H +ATOM 247 HH11 ARG A 16 4.070 0.367 -6.019 1.00 0.00 H +ATOM 248 HH12 ARG A 16 4.528 0.072 -7.675 1.00 0.00 H +ATOM 249 HH21 ARG A 16 4.555 -3.374 -7.290 1.00 0.00 H +ATOM 250 HH22 ARG A 16 4.810 -2.036 -8.376 1.00 0.00 H +ATOM 251 N PRO A 17 7.111 2.116 -1.447 1.00 0.00 N +ATOM 252 CA PRO A 17 6.730 2.992 -0.332 1.00 0.00 C +ATOM 253 C PRO A 17 5.203 3.215 -0.255 1.00 0.00 C +ATOM 254 O PRO A 17 4.512 3.033 -1.262 1.00 0.00 O +ATOM 255 CB PRO A 17 7.472 4.309 -0.592 1.00 0.00 C +ATOM 256 CG PRO A 17 7.586 4.354 -2.114 1.00 0.00 C +ATOM 257 CD PRO A 17 7.780 2.885 -2.487 1.00 0.00 C +ATOM 258 HA PRO A 17 7.081 2.557 0.604 1.00 0.00 H +ATOM 259 HB2 PRO A 17 6.910 5.146 -0.224 1.00 0.00 H +ATOM 260 HB3 PRO A 17 8.471 4.256 -0.155 1.00 0.00 H +ATOM 261 HG2 PRO A 17 6.692 4.750 -2.556 1.00 0.00 H +ATOM 262 HG3 PRO A 17 8.426 4.969 -2.440 1.00 0.00 H +ATOM 263 HD2 PRO A 17 7.339 2.682 -3.444 1.00 0.00 H +ATOM 264 HD3 PRO A 17 8.845 2.645 -2.487 1.00 0.00 H +ATOM 265 N PRO A 18 4.666 3.621 0.914 1.00 0.00 N +ATOM 266 CA PRO A 18 3.235 3.860 1.094 1.00 0.00 C +ATOM 267 C PRO A 18 2.748 5.165 0.425 1.00 0.00 C +ATOM 268 O PRO A 18 3.529 6.100 0.248 1.00 0.00 O +ATOM 269 CB PRO A 18 3.024 3.899 2.612 1.00 0.00 C +ATOM 270 CG PRO A 18 4.361 4.406 3.146 1.00 0.00 C +ATOM 271 CD PRO A 18 5.372 3.796 2.177 1.00 0.00 C +ATOM 272 HA PRO A 18 2.688 3.015 0.682 1.00 0.00 H +ATOM 273 HB2 PRO A 18 2.228 4.570 2.871 1.00 0.00 H +ATOM 274 HB3 PRO A 18 2.846 2.890 2.983 1.00 0.00 H +ATOM 275 HG2 PRO A 18 4.404 5.478 3.124 1.00 0.00 H +ATOM 276 HG3 PRO A 18 4.538 4.078 4.171 1.00 0.00 H +ATOM 277 HD2 PRO A 18 6.209 4.455 2.048 1.00 0.00 H +ATOM 278 HD3 PRO A 18 5.693 2.821 2.549 1.00 0.00 H +ATOM 279 N PRO A 19 1.443 5.263 0.091 1.00 0.00 N +ATOM 280 CA PRO A 19 0.813 6.446 -0.514 1.00 0.00 C +ATOM 281 C PRO A 19 0.366 7.514 0.505 1.00 0.00 C +ATOM 282 O PRO A 19 -0.168 8.563 0.135 1.00 0.00 O +ATOM 283 CB PRO A 19 -0.418 5.883 -1.228 1.00 0.00 C +ATOM 284 CG PRO A 19 -0.852 4.754 -0.291 1.00 0.00 C +ATOM 285 CD PRO A 19 0.481 4.171 0.160 1.00 0.00 C +ATOM 286 HA PRO A 19 1.483 6.910 -1.240 1.00 0.00 H +ATOM 287 HB2 PRO A 19 -1.186 6.626 -1.322 1.00 0.00 H +ATOM 288 HB3 PRO A 19 -0.127 5.468 -2.194 1.00 0.00 H +ATOM 289 HG2 PRO A 19 -1.411 5.134 0.542 1.00 0.00 H +ATOM 290 HG3 PRO A 19 -1.463 4.012 -0.801 1.00 0.00 H +ATOM 291 HD2 PRO A 19 0.406 3.804 1.165 1.00 0.00 H +ATOM 292 HD3 PRO A 19 0.786 3.388 -0.533 1.00 0.00 H +ATOM 293 N SER A 20 0.475 7.235 1.804 1.00 0.00 N +ATOM 294 CA SER A 20 0.117 8.121 2.917 1.00 0.00 C +ATOM 295 C SER A 20 0.951 7.740 4.134 1.00 0.00 C +ATOM 296 O SER A 20 1.145 6.518 4.316 1.00 0.00 O +ATOM 297 CB SER A 20 -1.376 8.004 3.229 1.00 0.00 C +ATOM 298 OG SER A 20 -2.078 8.526 2.113 1.00 0.00 O +ATOM 299 OXT SER A 20 1.384 8.682 4.830 1.00 0.00 O +ATOM 300 H SER A 20 0.881 6.355 2.097 1.00 0.00 H +ATOM 301 HA SER A 20 0.361 9.155 2.677 1.00 0.00 H +ATOM 302 HB2 SER A 20 -1.640 6.975 3.382 1.00 0.00 H +ATOM 303 HB3 SER A 20 -1.610 8.576 4.131 1.00 0.00 H +ATOM 304 HG SER A 20 -1.383 8.683 1.436 1.00 0.00 H +TER 305 SER A 20 +ENDMDL +MODEL 13 +ATOM 1 N ASN A 1 -7.908 6.785 -1.311 1.00 0.00 N +ATOM 2 CA ASN A 1 -7.019 6.327 -0.216 1.00 0.00 C +ATOM 3 C ASN A 1 -5.683 5.747 -0.661 1.00 0.00 C +ATOM 4 O ASN A 1 -4.708 6.050 0.013 1.00 0.00 O +ATOM 5 CB ASN A 1 -7.728 5.352 0.732 1.00 0.00 C +ATOM 6 CG ASN A 1 -8.620 6.137 1.676 1.00 0.00 C +ATOM 7 OD1 ASN A 1 -9.560 6.770 1.223 1.00 0.00 O +ATOM 8 ND2 ASN A 1 -8.313 6.173 2.959 1.00 0.00 N +ATOM 9 H1 ASN A 1 -7.434 7.466 -1.890 1.00 0.00 H +ATOM 10 H2 ASN A 1 -8.205 6.004 -1.879 1.00 0.00 H +ATOM 11 H3 ASN A 1 -8.733 7.210 -0.902 1.00 0.00 H +ATOM 12 HA ASN A 1 -6.754 7.204 0.378 1.00 0.00 H +ATOM 13 HB2 ASN A 1 -8.324 4.666 0.162 1.00 0.00 H +ATOM 14 HB3 ASN A 1 -6.996 4.787 1.311 1.00 0.00 H +ATOM 15 HD21 ASN A 1 -7.513 5.701 3.351 1.00 0.00 H +ATOM 16 HD22 ASN A 1 -8.923 6.730 3.536 1.00 0.00 H +ATOM 17 N LEU A 2 -5.615 4.880 -1.688 1.00 0.00 N +ATOM 18 CA LEU A 2 -4.406 4.163 -2.156 1.00 0.00 C +ATOM 19 C LEU A 2 -3.837 3.130 -1.158 1.00 0.00 C +ATOM 20 O LEU A 2 -3.364 2.071 -1.568 1.00 0.00 O +ATOM 21 CB LEU A 2 -3.322 5.161 -2.622 1.00 0.00 C +ATOM 22 CG LEU A 2 -3.769 6.069 -3.790 1.00 0.00 C +ATOM 23 CD1 LEU A 2 -3.562 7.551 -3.463 1.00 0.00 C +ATOM 24 CD2 LEU A 2 -3.001 5.730 -5.068 1.00 0.00 C +ATOM 25 H LEU A 2 -6.452 4.624 -2.189 1.00 0.00 H +ATOM 26 HA LEU A 2 -4.692 3.585 -3.037 1.00 0.00 H +ATOM 27 HB2 LEU A 2 -3.057 5.785 -1.790 1.00 0.00 H +ATOM 28 HB3 LEU A 2 -2.440 4.595 -2.923 1.00 0.00 H +ATOM 29 HG LEU A 2 -4.830 5.921 -3.991 1.00 0.00 H +ATOM 30 HD11 LEU A 2 -4.099 7.813 -2.552 1.00 0.00 H +ATOM 31 HD12 LEU A 2 -2.502 7.762 -3.318 1.00 0.00 H +ATOM 32 HD13 LEU A 2 -3.938 8.167 -4.281 1.00 0.00 H +ATOM 33 HD21 LEU A 2 -1.934 5.911 -4.924 1.00 0.00 H +ATOM 34 HD22 LEU A 2 -3.157 4.681 -5.323 1.00 0.00 H +ATOM 35 HD23 LEU A 2 -3.359 6.350 -5.889 1.00 0.00 H +ATOM 36 N TYR A 3 -3.941 3.391 0.150 1.00 0.00 N +ATOM 37 CA TYR A 3 -3.446 2.538 1.230 1.00 0.00 C +ATOM 38 C TYR A 3 -4.000 1.103 1.182 1.00 0.00 C +ATOM 39 O TYR A 3 -3.277 0.167 1.508 1.00 0.00 O +ATOM 40 CB TYR A 3 -3.738 3.210 2.583 1.00 0.00 C +ATOM 41 CG TYR A 3 -2.672 2.927 3.623 1.00 0.00 C +ATOM 42 CD1 TYR A 3 -2.765 1.788 4.444 1.00 0.00 C +ATOM 43 CD2 TYR A 3 -1.567 3.795 3.740 1.00 0.00 C +ATOM 44 CE1 TYR A 3 -1.751 1.512 5.382 1.00 0.00 C +ATOM 45 CE2 TYR A 3 -0.550 3.520 4.672 1.00 0.00 C +ATOM 46 CZ TYR A 3 -0.641 2.375 5.495 1.00 0.00 C +ATOM 47 OH TYR A 3 0.344 2.091 6.389 1.00 0.00 O +ATOM 48 H TYR A 3 -4.221 4.340 0.385 1.00 0.00 H +ATOM 49 HA TYR A 3 -2.363 2.475 1.122 1.00 0.00 H +ATOM 50 HB2 TYR A 3 -3.797 4.271 2.433 1.00 0.00 H +ATOM 51 HB3 TYR A 3 -4.711 2.883 2.955 1.00 0.00 H +ATOM 52 HD1 TYR A 3 -3.607 1.120 4.349 1.00 0.00 H +ATOM 53 HD2 TYR A 3 -1.493 4.677 3.117 1.00 0.00 H +ATOM 54 HE1 TYR A 3 -1.801 0.643 6.018 1.00 0.00 H +ATOM 55 HE2 TYR A 3 0.291 4.191 4.755 1.00 0.00 H +ATOM 56 HH TYR A 3 1.086 2.690 6.302 1.00 0.00 H +ATOM 57 N ILE A 4 -5.249 0.909 0.731 1.00 0.00 N +ATOM 58 CA ILE A 4 -5.862 -0.418 0.547 1.00 0.00 C +ATOM 59 C ILE A 4 -5.108 -1.223 -0.524 1.00 0.00 C +ATOM 60 O ILE A 4 -4.705 -2.359 -0.275 1.00 0.00 O +ATOM 61 CB ILE A 4 -7.371 -0.307 0.207 1.00 0.00 C +ATOM 62 CG1 ILE A 4 -8.145 0.575 1.218 1.00 0.00 C +ATOM 63 CG2 ILE A 4 -8.018 -1.702 0.164 1.00 0.00 C +ATOM 64 CD1 ILE A 4 -8.506 1.935 0.617 1.00 0.00 C +ATOM 65 H ILE A 4 -5.779 1.731 0.489 1.00 0.00 H +ATOM 66 HA ILE A 4 -5.769 -0.964 1.487 1.00 0.00 H +ATOM 67 HB ILE A 4 -7.472 0.126 -0.790 1.00 0.00 H +ATOM 68 HG12 ILE A 4 -9.048 0.069 1.502 1.00 0.00 H +ATOM 69 HG13 ILE A 4 -7.554 0.726 2.123 1.00 0.00 H +ATOM 70 HG21 ILE A 4 -7.562 -2.315 -0.613 1.00 0.00 H +ATOM 71 HG22 ILE A 4 -7.904 -2.200 1.127 1.00 0.00 H +ATOM 72 HG23 ILE A 4 -9.081 -1.610 -0.065 1.00 0.00 H +ATOM 73 HD11 ILE A 4 -7.611 2.423 0.233 1.00 0.00 H +ATOM 74 HD12 ILE A 4 -9.219 1.799 -0.198 1.00 0.00 H +ATOM 75 HD13 ILE A 4 -8.963 2.563 1.384 1.00 0.00 H +ATOM 76 N GLN A 5 -4.883 -0.627 -1.705 1.00 0.00 N +ATOM 77 CA GLN A 5 -4.097 -1.237 -2.779 1.00 0.00 C +ATOM 78 C GLN A 5 -2.654 -1.511 -2.339 1.00 0.00 C +ATOM 79 O GLN A 5 -2.134 -2.592 -2.614 1.00 0.00 O +ATOM 80 CB GLN A 5 -4.124 -0.349 -4.035 1.00 0.00 C +ATOM 81 CG GLN A 5 -5.446 -0.464 -4.826 1.00 0.00 C +ATOM 82 CD GLN A 5 -6.302 0.803 -4.886 1.00 0.00 C +ATOM 83 OE1 GLN A 5 -5.896 1.911 -4.564 1.00 0.00 O +ATOM 84 NE2 GLN A 5 -7.545 0.678 -5.313 1.00 0.00 N +ATOM 85 H GLN A 5 -5.163 0.337 -1.814 1.00 0.00 H +ATOM 86 HA GLN A 5 -4.533 -2.207 -3.026 1.00 0.00 H +ATOM 87 HB2 GLN A 5 -3.993 0.673 -3.735 1.00 0.00 H +ATOM 88 HB3 GLN A 5 -3.318 -0.674 -4.696 1.00 0.00 H +ATOM 89 HG2 GLN A 5 -5.203 -0.745 -5.833 1.00 0.00 H +ATOM 90 HG3 GLN A 5 -6.054 -1.268 -4.411 1.00 0.00 H +ATOM 91 HE21 GLN A 5 -7.934 -0.208 -5.587 1.00 0.00 H +ATOM 92 HE22 GLN A 5 -8.048 1.544 -5.402 1.00 0.00 H +ATOM 93 N TRP A 6 -2.027 -0.572 -1.618 1.00 0.00 N +ATOM 94 CA TRP A 6 -0.693 -0.764 -1.047 1.00 0.00 C +ATOM 95 C TRP A 6 -0.644 -1.917 -0.026 1.00 0.00 C +ATOM 96 O TRP A 6 0.231 -2.778 -0.111 1.00 0.00 O +ATOM 97 CB TRP A 6 -0.213 0.557 -0.443 1.00 0.00 C +ATOM 98 CG TRP A 6 1.169 0.505 0.124 1.00 0.00 C +ATOM 99 CD1 TRP A 6 2.314 0.542 -0.597 1.00 0.00 C +ATOM 100 CD2 TRP A 6 1.577 0.373 1.518 1.00 0.00 C +ATOM 101 NE1 TRP A 6 3.396 0.430 0.252 1.00 0.00 N +ATOM 102 CE2 TRP A 6 3.001 0.346 1.569 1.00 0.00 C +ATOM 103 CE3 TRP A 6 0.887 0.268 2.747 1.00 0.00 C +ATOM 104 CZ2 TRP A 6 3.712 0.258 2.772 1.00 0.00 C +ATOM 105 CZ3 TRP A 6 1.592 0.150 3.960 1.00 0.00 C +ATOM 106 CH2 TRP A 6 2.998 0.165 3.978 1.00 0.00 C +ATOM 107 H TRP A 6 -2.505 0.316 -1.478 1.00 0.00 H +ATOM 108 HA TRP A 6 -0.010 -1.033 -1.856 1.00 0.00 H +ATOM 109 HB2 TRP A 6 -0.234 1.306 -1.211 1.00 0.00 H +ATOM 110 HB3 TRP A 6 -0.898 0.860 0.348 1.00 0.00 H +ATOM 111 HD1 TRP A 6 2.368 0.630 -1.674 1.00 0.00 H +ATOM 112 HE1 TRP A 6 4.370 0.409 -0.063 1.00 0.00 H +ATOM 113 HE3 TRP A 6 -0.194 0.280 2.749 1.00 0.00 H +ATOM 114 HZ2 TRP A 6 4.792 0.247 2.758 1.00 0.00 H +ATOM 115 HZ3 TRP A 6 1.046 0.055 4.888 1.00 0.00 H +ATOM 116 HH2 TRP A 6 3.527 0.092 4.916 1.00 0.00 H +ATOM 117 N LEU A 7 -1.605 -2.000 0.907 1.00 0.00 N +ATOM 118 CA LEU A 7 -1.710 -3.134 1.832 1.00 0.00 C +ATOM 119 C LEU A 7 -1.929 -4.466 1.106 1.00 0.00 C +ATOM 120 O LEU A 7 -1.324 -5.461 1.502 1.00 0.00 O +ATOM 121 CB LEU A 7 -2.824 -2.903 2.868 1.00 0.00 C +ATOM 122 CG LEU A 7 -2.460 -1.924 4.000 1.00 0.00 C +ATOM 123 CD1 LEU A 7 -3.711 -1.690 4.853 1.00 0.00 C +ATOM 124 CD2 LEU A 7 -1.353 -2.460 4.918 1.00 0.00 C +ATOM 125 H LEU A 7 -2.291 -1.251 0.973 1.00 0.00 H +ATOM 126 HA LEU A 7 -0.757 -3.234 2.349 1.00 0.00 H +ATOM 127 HB2 LEU A 7 -3.682 -2.515 2.354 1.00 0.00 H +ATOM 128 HB3 LEU A 7 -3.076 -3.862 3.324 1.00 0.00 H +ATOM 129 HG LEU A 7 -2.134 -0.976 3.579 1.00 0.00 H +ATOM 130 HD11 LEU A 7 -4.496 -1.248 4.240 1.00 0.00 H +ATOM 131 HD12 LEU A 7 -4.067 -2.637 5.262 1.00 0.00 H +ATOM 132 HD13 LEU A 7 -3.483 -1.016 5.677 1.00 0.00 H +ATOM 133 HD21 LEU A 7 -1.664 -3.401 5.371 1.00 0.00 H +ATOM 134 HD22 LEU A 7 -0.433 -2.614 4.360 1.00 0.00 H +ATOM 135 HD23 LEU A 7 -1.147 -1.735 5.706 1.00 0.00 H +ATOM 136 N LYS A 8 -2.718 -4.492 0.018 1.00 0.00 N +ATOM 137 CA LYS A 8 -2.894 -5.686 -0.829 1.00 0.00 C +ATOM 138 C LYS A 8 -1.564 -6.220 -1.379 1.00 0.00 C +ATOM 139 O LYS A 8 -1.459 -7.409 -1.665 1.00 0.00 O +ATOM 140 CB LYS A 8 -3.864 -5.370 -1.980 1.00 0.00 C +ATOM 141 CG LYS A 8 -4.388 -6.622 -2.718 1.00 0.00 C +ATOM 142 CD LYS A 8 -4.505 -6.437 -4.242 1.00 0.00 C +ATOM 143 CE LYS A 8 -3.209 -6.745 -5.018 1.00 0.00 C +ATOM 144 NZ LYS A 8 -2.118 -5.779 -4.739 1.00 0.00 N +ATOM 145 H LYS A 8 -3.231 -3.643 -0.211 1.00 0.00 H +ATOM 146 HA LYS A 8 -3.325 -6.477 -0.214 1.00 0.00 H +ATOM 147 HB2 LYS A 8 -4.705 -4.839 -1.577 1.00 0.00 H +ATOM 148 HB3 LYS A 8 -3.360 -4.716 -2.685 1.00 0.00 H +ATOM 149 HG2 LYS A 8 -3.715 -7.435 -2.526 1.00 0.00 H +ATOM 150 HG3 LYS A 8 -5.377 -6.849 -2.317 1.00 0.00 H +ATOM 151 HD2 LYS A 8 -5.276 -7.091 -4.602 1.00 0.00 H +ATOM 152 HD3 LYS A 8 -4.855 -5.430 -4.471 1.00 0.00 H +ATOM 153 HE2 LYS A 8 -2.873 -7.727 -4.745 1.00 0.00 H +ATOM 154 HE3 LYS A 8 -3.446 -6.733 -6.086 1.00 0.00 H +ATOM 155 HZ1 LYS A 8 -2.396 -4.819 -4.880 1.00 0.00 H +ATOM 156 HZ2 LYS A 8 -1.774 -5.854 -3.793 1.00 0.00 H +ATOM 157 HZ3 LYS A 8 -1.282 -5.906 -5.304 1.00 0.00 H +ATOM 158 N ASP A 9 -0.551 -5.368 -1.570 1.00 0.00 N +ATOM 159 CA ASP A 9 0.787 -5.808 -1.980 1.00 0.00 C +ATOM 160 C ASP A 9 1.595 -6.452 -0.830 1.00 0.00 C +ATOM 161 O ASP A 9 2.685 -6.970 -1.090 1.00 0.00 O +ATOM 162 CB ASP A 9 1.594 -4.630 -2.566 1.00 0.00 C +ATOM 163 CG ASP A 9 0.973 -3.926 -3.776 1.00 0.00 C +ATOM 164 OD1 ASP A 9 0.255 -4.603 -4.551 1.00 0.00 O +ATOM 165 OD2 ASP A 9 1.306 -2.727 -3.970 1.00 0.00 O +ATOM 166 H ASP A 9 -0.687 -4.388 -1.343 1.00 0.00 H +ATOM 167 HA ASP A 9 0.689 -6.562 -2.762 1.00 0.00 H +ATOM 168 HB2 ASP A 9 1.719 -3.900 -1.790 1.00 0.00 H +ATOM 169 HB3 ASP A 9 2.559 -5.017 -2.894 1.00 0.00 H +ATOM 170 N GLY A 10 1.155 -6.367 0.440 1.00 0.00 N +ATOM 171 CA GLY A 10 1.920 -6.800 1.627 1.00 0.00 C +ATOM 172 C GLY A 10 2.495 -5.666 2.504 1.00 0.00 C +ATOM 173 O GLY A 10 3.323 -5.931 3.387 1.00 0.00 O +ATOM 174 H GLY A 10 0.231 -5.972 0.604 1.00 0.00 H +ATOM 175 HA2 GLY A 10 1.260 -7.399 2.254 1.00 0.00 H +ATOM 176 HA3 GLY A 10 2.750 -7.439 1.326 1.00 0.00 H +ATOM 177 N GLY A 11 2.078 -4.413 2.271 1.00 0.00 N +ATOM 178 CA GLY A 11 2.452 -3.248 3.072 1.00 0.00 C +ATOM 179 C GLY A 11 3.971 -2.986 3.103 1.00 0.00 C +ATOM 180 O GLY A 11 4.593 -2.901 2.043 1.00 0.00 O +ATOM 181 H GLY A 11 1.509 -4.255 1.448 1.00 0.00 H +ATOM 182 HA2 GLY A 11 1.968 -2.368 2.650 1.00 0.00 H +ATOM 183 HA3 GLY A 11 2.064 -3.396 4.078 1.00 0.00 H +ATOM 184 N PRO A 12 4.608 -2.840 4.289 1.00 0.00 N +ATOM 185 CA PRO A 12 6.049 -2.569 4.388 1.00 0.00 C +ATOM 186 C PRO A 12 6.947 -3.622 3.719 1.00 0.00 C +ATOM 187 O PRO A 12 8.100 -3.334 3.404 1.00 0.00 O +ATOM 188 CB PRO A 12 6.365 -2.497 5.887 1.00 0.00 C +ATOM 189 CG PRO A 12 5.019 -2.212 6.546 1.00 0.00 C +ATOM 190 CD PRO A 12 4.017 -2.897 5.618 1.00 0.00 C +ATOM 191 HA PRO A 12 6.252 -1.600 3.932 1.00 0.00 H +ATOM 192 HB2 PRO A 12 6.768 -3.428 6.235 1.00 0.00 H +ATOM 193 HB3 PRO A 12 7.091 -1.712 6.104 1.00 0.00 H +ATOM 194 HG2 PRO A 12 4.978 -2.632 7.532 1.00 0.00 H +ATOM 195 HG3 PRO A 12 4.836 -1.136 6.553 1.00 0.00 H +ATOM 196 HD2 PRO A 12 3.866 -3.916 5.917 1.00 0.00 H +ATOM 197 HD3 PRO A 12 3.061 -2.377 5.665 1.00 0.00 H +ATOM 198 N SER A 13 6.430 -4.838 3.502 1.00 0.00 N +ATOM 199 CA SER A 13 7.167 -5.968 2.930 1.00 0.00 C +ATOM 200 C SER A 13 7.113 -6.043 1.392 1.00 0.00 C +ATOM 201 O SER A 13 7.652 -6.980 0.805 1.00 0.00 O +ATOM 202 CB SER A 13 6.723 -7.269 3.614 1.00 0.00 C +ATOM 203 OG SER A 13 5.376 -7.634 3.349 1.00 0.00 O +ATOM 204 H SER A 13 5.454 -4.968 3.734 1.00 0.00 H +ATOM 205 HA SER A 13 8.222 -5.839 3.177 1.00 0.00 H +ATOM 206 HB2 SER A 13 7.360 -8.063 3.274 1.00 0.00 H +ATOM 207 HB3 SER A 13 6.865 -7.162 4.691 1.00 0.00 H +ATOM 208 HG SER A 13 4.737 -6.918 3.537 1.00 0.00 H +ATOM 209 N SER A 14 6.508 -5.047 0.733 1.00 0.00 N +ATOM 210 CA SER A 14 6.226 -5.028 -0.713 1.00 0.00 C +ATOM 211 C SER A 14 7.223 -4.235 -1.564 1.00 0.00 C +ATOM 212 O SER A 14 7.035 -4.116 -2.774 1.00 0.00 O +ATOM 213 CB SER A 14 4.854 -4.397 -0.935 1.00 0.00 C +ATOM 214 OG SER A 14 3.928 -5.006 -0.081 1.00 0.00 O +ATOM 215 H SER A 14 6.017 -4.350 1.287 1.00 0.00 H +ATOM 216 HA SER A 14 6.196 -6.052 -1.088 1.00 0.00 H +ATOM 217 HB2 SER A 14 4.903 -3.346 -0.722 1.00 0.00 H +ATOM 218 HB3 SER A 14 4.546 -4.527 -1.971 1.00 0.00 H +ATOM 219 HG SER A 14 3.589 -5.837 -0.501 1.00 0.00 H +ATOM 220 N GLY A 15 8.236 -3.613 -0.954 1.00 0.00 N +ATOM 221 CA GLY A 15 9.241 -2.785 -1.634 1.00 0.00 C +ATOM 222 C GLY A 15 8.755 -1.388 -2.056 1.00 0.00 C +ATOM 223 O GLY A 15 9.534 -0.439 -2.013 1.00 0.00 O +ATOM 224 H GLY A 15 8.306 -3.739 0.046 1.00 0.00 H +ATOM 225 HA2 GLY A 15 10.102 -2.664 -0.978 1.00 0.00 H +ATOM 226 HA3 GLY A 15 9.576 -3.308 -2.531 1.00 0.00 H +ATOM 227 N ARG A 16 7.484 -1.243 -2.458 1.00 0.00 N +ATOM 228 CA ARG A 16 6.866 0.043 -2.822 1.00 0.00 C +ATOM 229 C ARG A 16 6.607 0.907 -1.567 1.00 0.00 C +ATOM 230 O ARG A 16 6.048 0.385 -0.598 1.00 0.00 O +ATOM 231 CB ARG A 16 5.566 -0.231 -3.600 1.00 0.00 C +ATOM 232 CG ARG A 16 5.057 1.011 -4.351 1.00 0.00 C +ATOM 233 CD ARG A 16 3.793 0.732 -5.180 1.00 0.00 C +ATOM 234 NE ARG A 16 4.079 -0.101 -6.363 1.00 0.00 N +ATOM 235 CZ ARG A 16 3.877 -1.406 -6.533 1.00 0.00 C +ATOM 236 NH1 ARG A 16 3.266 -2.191 -5.676 1.00 0.00 N +ATOM 237 NH2 ARG A 16 4.308 -1.979 -7.632 1.00 0.00 N +ATOM 238 H ARG A 16 6.937 -2.095 -2.518 1.00 0.00 H +ATOM 239 HA ARG A 16 7.569 0.558 -3.476 1.00 0.00 H +ATOM 240 HB2 ARG A 16 5.749 -1.013 -4.312 1.00 0.00 H +ATOM 241 HB3 ARG A 16 4.793 -0.580 -2.914 1.00 0.00 H +ATOM 242 HG2 ARG A 16 4.834 1.777 -3.634 1.00 0.00 H +ATOM 243 HG3 ARG A 16 5.843 1.374 -5.018 1.00 0.00 H +ATOM 244 HD2 ARG A 16 3.079 0.222 -4.562 1.00 0.00 H +ATOM 245 HD3 ARG A 16 3.407 1.693 -5.529 1.00 0.00 H +ATOM 246 HE ARG A 16 4.530 0.371 -7.128 1.00 0.00 H +ATOM 247 HH11 ARG A 16 2.673 -1.883 -4.893 1.00 0.00 H +ATOM 248 HH12 ARG A 16 3.162 -3.167 -5.861 1.00 0.00 H +ATOM 249 HH21 ARG A 16 4.765 -1.448 -8.350 1.00 0.00 H +ATOM 250 HH22 ARG A 16 4.157 -2.963 -7.759 1.00 0.00 H +ATOM 251 N PRO A 17 6.947 2.213 -1.560 1.00 0.00 N +ATOM 252 CA PRO A 17 6.730 3.085 -0.400 1.00 0.00 C +ATOM 253 C PRO A 17 5.232 3.312 -0.095 1.00 0.00 C +ATOM 254 O PRO A 17 4.400 3.172 -0.996 1.00 0.00 O +ATOM 255 CB PRO A 17 7.438 4.403 -0.744 1.00 0.00 C +ATOM 256 CG PRO A 17 7.414 4.433 -2.270 1.00 0.00 C +ATOM 257 CD PRO A 17 7.583 2.961 -2.635 1.00 0.00 C +ATOM 258 HA PRO A 17 7.208 2.638 0.471 1.00 0.00 H +ATOM 259 HB2 PRO A 17 6.907 5.241 -0.336 1.00 0.00 H +ATOM 260 HB3 PRO A 17 8.472 4.360 -0.399 1.00 0.00 H +ATOM 261 HG2 PRO A 17 6.481 4.818 -2.635 1.00 0.00 H +ATOM 262 HG3 PRO A 17 8.216 5.048 -2.679 1.00 0.00 H +ATOM 263 HD2 PRO A 17 7.104 2.750 -3.572 1.00 0.00 H +ATOM 264 HD3 PRO A 17 8.643 2.709 -2.673 1.00 0.00 H +ATOM 265 N PRO A 18 4.878 3.687 1.151 1.00 0.00 N +ATOM 266 CA PRO A 18 3.495 3.929 1.554 1.00 0.00 C +ATOM 267 C PRO A 18 2.938 5.209 0.903 1.00 0.00 C +ATOM 268 O PRO A 18 3.617 6.239 0.913 1.00 0.00 O +ATOM 269 CB PRO A 18 3.524 4.048 3.081 1.00 0.00 C +ATOM 270 CG PRO A 18 4.937 4.549 3.376 1.00 0.00 C +ATOM 271 CD PRO A 18 5.775 3.886 2.283 1.00 0.00 C +ATOM 272 HA PRO A 18 2.889 3.069 1.280 1.00 0.00 H +ATOM 273 HB2 PRO A 18 2.789 4.750 3.425 1.00 0.00 H +ATOM 274 HB3 PRO A 18 3.390 3.061 3.527 1.00 0.00 H +ATOM 275 HG2 PRO A 18 4.989 5.618 3.306 1.00 0.00 H +ATOM 276 HG3 PRO A 18 5.272 4.261 4.373 1.00 0.00 H +ATOM 277 HD2 PRO A 18 6.593 4.522 2.003 1.00 0.00 H +ATOM 278 HD3 PRO A 18 6.135 2.918 2.635 1.00 0.00 H +ATOM 279 N PRO A 19 1.706 5.185 0.359 1.00 0.00 N +ATOM 280 CA PRO A 19 1.071 6.373 -0.198 1.00 0.00 C +ATOM 281 C PRO A 19 0.534 7.279 0.922 1.00 0.00 C +ATOM 282 O PRO A 19 0.005 6.793 1.925 1.00 0.00 O +ATOM 283 CB PRO A 19 -0.043 5.831 -1.093 1.00 0.00 C +ATOM 284 CG PRO A 19 -0.475 4.546 -0.383 1.00 0.00 C +ATOM 285 CD PRO A 19 0.817 4.036 0.254 1.00 0.00 C +ATOM 286 HA PRO A 19 1.785 6.932 -0.806 1.00 0.00 H +ATOM 287 HB2 PRO A 19 -0.857 6.527 -1.157 1.00 0.00 H +ATOM 288 HB3 PRO A 19 0.371 5.580 -2.071 1.00 0.00 H +ATOM 289 HG2 PRO A 19 -1.216 4.752 0.365 1.00 0.00 H +ATOM 290 HG3 PRO A 19 -0.885 3.819 -1.084 1.00 0.00 H +ATOM 291 HD2 PRO A 19 0.616 3.632 1.228 1.00 0.00 H +ATOM 292 HD3 PRO A 19 1.276 3.286 -0.389 1.00 0.00 H +ATOM 293 N SER A 20 0.660 8.597 0.722 1.00 0.00 N +ATOM 294 CA SER A 20 0.150 9.654 1.607 1.00 0.00 C +ATOM 295 C SER A 20 -1.110 10.284 1.016 1.00 0.00 C +ATOM 296 O SER A 20 -2.094 10.380 1.786 1.00 0.00 O +ATOM 297 CB SER A 20 1.248 10.701 1.823 1.00 0.00 C +ATOM 298 OG SER A 20 0.910 11.534 2.908 1.00 0.00 O +ATOM 299 OXT SER A 20 -1.067 10.639 -0.179 1.00 0.00 O +ATOM 300 H SER A 20 1.051 8.910 -0.152 1.00 0.00 H +ATOM 301 HA SER A 20 -0.125 9.214 2.563 1.00 0.00 H +ATOM 302 HB2 SER A 20 2.177 10.205 2.031 1.00 0.00 H +ATOM 303 HB3 SER A 20 1.371 11.300 0.918 1.00 0.00 H +ATOM 304 HG SER A 20 0.272 11.069 3.455 1.00 0.00 H +TER 305 SER A 20 +ENDMDL +MODEL 14 +ATOM 1 N ASN A 1 -6.401 7.662 -1.132 1.00 0.00 N +ATOM 2 CA ASN A 1 -7.275 6.470 -1.269 1.00 0.00 C +ATOM 3 C ASN A 1 -6.573 5.259 -1.924 1.00 0.00 C +ATOM 4 O ASN A 1 -7.244 4.408 -2.495 1.00 0.00 O +ATOM 5 CB ASN A 1 -8.588 6.852 -1.993 1.00 0.00 C +ATOM 6 CG ASN A 1 -9.793 6.163 -1.354 1.00 0.00 C +ATOM 7 OD1 ASN A 1 -9.671 5.136 -0.706 1.00 0.00 O +ATOM 8 ND2 ASN A 1 -10.977 6.741 -1.450 1.00 0.00 N +ATOM 9 H1 ASN A 1 -5.636 7.473 -0.499 1.00 0.00 H +ATOM 10 H2 ASN A 1 -6.040 7.938 -2.035 1.00 0.00 H +ATOM 11 H3 ASN A 1 -6.938 8.429 -0.749 1.00 0.00 H +ATOM 12 HA ASN A 1 -7.560 6.149 -0.264 1.00 0.00 H +ATOM 13 HB2 ASN A 1 -8.722 7.915 -1.937 1.00 0.00 H +ATOM 14 HB3 ASN A 1 -8.537 6.586 -3.050 1.00 0.00 H +ATOM 15 HD21 ASN A 1 -11.144 7.601 -1.945 1.00 0.00 H +ATOM 16 HD22 ASN A 1 -11.719 6.237 -0.991 1.00 0.00 H +ATOM 17 N LEU A 2 -5.236 5.147 -1.843 1.00 0.00 N +ATOM 18 CA LEU A 2 -4.460 4.057 -2.472 1.00 0.00 C +ATOM 19 C LEU A 2 -3.853 3.067 -1.460 1.00 0.00 C +ATOM 20 O LEU A 2 -3.274 2.048 -1.840 1.00 0.00 O +ATOM 21 CB LEU A 2 -3.389 4.680 -3.399 1.00 0.00 C +ATOM 22 CG LEU A 2 -3.705 4.592 -4.905 1.00 0.00 C +ATOM 23 CD1 LEU A 2 -3.639 3.147 -5.409 1.00 0.00 C +ATOM 24 CD2 LEU A 2 -5.061 5.208 -5.270 1.00 0.00 C +ATOM 25 H LEU A 2 -4.672 5.849 -1.391 1.00 0.00 H +ATOM 26 HA LEU A 2 -5.127 3.449 -3.079 1.00 0.00 H +ATOM 27 HB2 LEU A 2 -3.286 5.716 -3.140 1.00 0.00 H +ATOM 28 HB3 LEU A 2 -2.429 4.188 -3.232 1.00 0.00 H +ATOM 29 HG LEU A 2 -2.935 5.159 -5.430 1.00 0.00 H +ATOM 30 HD11 LEU A 2 -2.666 2.717 -5.172 1.00 0.00 H +ATOM 31 HD12 LEU A 2 -4.417 2.537 -4.955 1.00 0.00 H +ATOM 32 HD13 LEU A 2 -3.774 3.127 -6.492 1.00 0.00 H +ATOM 33 HD21 LEU A 2 -5.877 4.592 -4.894 1.00 0.00 H +ATOM 34 HD22 LEU A 2 -5.138 6.211 -4.856 1.00 0.00 H +ATOM 35 HD23 LEU A 2 -5.148 5.268 -6.356 1.00 0.00 H +ATOM 36 N TYR A 3 -4.027 3.341 -0.163 1.00 0.00 N +ATOM 37 CA TYR A 3 -3.458 2.567 0.937 1.00 0.00 C +ATOM 38 C TYR A 3 -3.944 1.109 0.964 1.00 0.00 C +ATOM 39 O TYR A 3 -3.174 0.216 1.296 1.00 0.00 O +ATOM 40 CB TYR A 3 -3.759 3.287 2.260 1.00 0.00 C +ATOM 41 CG TYR A 3 -2.564 3.330 3.186 1.00 0.00 C +ATOM 42 CD1 TYR A 3 -2.297 2.234 4.021 1.00 0.00 C +ATOM 43 CD2 TYR A 3 -1.713 4.454 3.196 1.00 0.00 C +ATOM 44 CE1 TYR A 3 -1.182 2.255 4.876 1.00 0.00 C +ATOM 45 CE2 TYR A 3 -0.605 4.489 4.064 1.00 0.00 C +ATOM 46 CZ TYR A 3 -0.339 3.386 4.907 1.00 0.00 C +ATOM 47 OH TYR A 3 0.697 3.407 5.788 1.00 0.00 O +ATOM 48 H TYR A 3 -4.543 4.171 0.073 1.00 0.00 H +ATOM 49 HA TYR A 3 -2.375 2.545 0.801 1.00 0.00 H +ATOM 50 HB2 TYR A 3 -4.061 4.293 2.042 1.00 0.00 H +ATOM 51 HB3 TYR A 3 -4.593 2.797 2.766 1.00 0.00 H +ATOM 52 HD1 TYR A 3 -2.954 1.378 4.007 1.00 0.00 H +ATOM 53 HD2 TYR A 3 -1.904 5.298 2.546 1.00 0.00 H +ATOM 54 HE1 TYR A 3 -0.969 1.423 5.532 1.00 0.00 H +ATOM 55 HE2 TYR A 3 0.032 5.362 4.078 1.00 0.00 H +ATOM 56 HH TYR A 3 0.695 4.212 6.308 1.00 0.00 H +ATOM 57 N ILE A 4 -5.199 0.862 0.556 1.00 0.00 N +ATOM 58 CA ILE A 4 -5.795 -0.478 0.440 1.00 0.00 C +ATOM 59 C ILE A 4 -4.969 -1.337 -0.529 1.00 0.00 C +ATOM 60 O ILE A 4 -4.571 -2.450 -0.193 1.00 0.00 O +ATOM 61 CB ILE A 4 -7.277 -0.384 -0.008 1.00 0.00 C +ATOM 62 CG1 ILE A 4 -8.120 0.501 0.945 1.00 0.00 C +ATOM 63 CG2 ILE A 4 -7.894 -1.795 -0.096 1.00 0.00 C +ATOM 64 CD1 ILE A 4 -9.475 0.918 0.356 1.00 0.00 C +ATOM 65 H ILE A 4 -5.761 1.657 0.298 1.00 0.00 H +ATOM 66 HA ILE A 4 -5.759 -0.960 1.418 1.00 0.00 H +ATOM 67 HB ILE A 4 -7.306 0.064 -1.002 1.00 0.00 H +ATOM 68 HG12 ILE A 4 -8.297 -0.048 1.850 1.00 0.00 H +ATOM 69 HG13 ILE A 4 -7.586 1.423 1.167 1.00 0.00 H +ATOM 70 HG21 ILE A 4 -7.385 -2.392 -0.852 1.00 0.00 H +ATOM 71 HG22 ILE A 4 -7.817 -2.302 0.867 1.00 0.00 H +ATOM 72 HG23 ILE A 4 -8.945 -1.739 -0.379 1.00 0.00 H +ATOM 73 HD11 ILE A 4 -9.330 1.364 -0.631 1.00 0.00 H +ATOM 74 HD12 ILE A 4 -10.141 0.060 0.274 1.00 0.00 H +ATOM 75 HD13 ILE A 4 -9.939 1.657 1.008 1.00 0.00 H +ATOM 76 N GLN A 5 -4.685 -0.803 -1.722 1.00 0.00 N +ATOM 77 CA GLN A 5 -3.904 -1.463 -2.769 1.00 0.00 C +ATOM 78 C GLN A 5 -2.453 -1.702 -2.326 1.00 0.00 C +ATOM 79 O GLN A 5 -1.920 -2.790 -2.539 1.00 0.00 O +ATOM 80 CB GLN A 5 -3.995 -0.617 -4.058 1.00 0.00 C +ATOM 81 CG GLN A 5 -4.421 -1.431 -5.294 1.00 0.00 C +ATOM 82 CD GLN A 5 -5.350 -0.621 -6.194 1.00 0.00 C +ATOM 83 OE1 GLN A 5 -4.942 0.305 -6.876 1.00 0.00 O +ATOM 84 NE2 GLN A 5 -6.636 -0.921 -6.208 1.00 0.00 N +ATOM 85 H GLN A 5 -4.991 0.144 -1.894 1.00 0.00 H +ATOM 86 HA GLN A 5 -4.348 -2.442 -2.942 1.00 0.00 H +ATOM 87 HB2 GLN A 5 -4.713 0.165 -3.902 1.00 0.00 H +ATOM 88 HB3 GLN A 5 -3.039 -0.132 -4.264 1.00 0.00 H +ATOM 89 HG2 GLN A 5 -3.546 -1.706 -5.851 1.00 0.00 H +ATOM 90 HG3 GLN A 5 -4.941 -2.342 -4.994 1.00 0.00 H +ATOM 91 HE21 GLN A 5 -7.025 -1.675 -5.669 1.00 0.00 H +ATOM 92 HE22 GLN A 5 -7.188 -0.340 -6.815 1.00 0.00 H +ATOM 93 N TRP A 6 -1.834 -0.719 -1.658 1.00 0.00 N +ATOM 94 CA TRP A 6 -0.498 -0.859 -1.070 1.00 0.00 C +ATOM 95 C TRP A 6 -0.433 -1.932 0.032 1.00 0.00 C +ATOM 96 O TRP A 6 0.497 -2.744 0.055 1.00 0.00 O +ATOM 97 CB TRP A 6 -0.042 0.505 -0.544 1.00 0.00 C +ATOM 98 CG TRP A 6 1.340 0.516 0.026 1.00 0.00 C +ATOM 99 CD1 TRP A 6 2.480 0.543 -0.699 1.00 0.00 C +ATOM 100 CD2 TRP A 6 1.754 0.502 1.428 1.00 0.00 C +ATOM 101 NE1 TRP A 6 3.565 0.518 0.155 1.00 0.00 N +ATOM 102 CE2 TRP A 6 3.179 0.507 1.471 1.00 0.00 C +ATOM 103 CE3 TRP A 6 1.081 0.494 2.669 1.00 0.00 C +ATOM 104 CZ2 TRP A 6 3.905 0.515 2.669 1.00 0.00 C +ATOM 105 CZ3 TRP A 6 1.798 0.487 3.882 1.00 0.00 C +ATOM 106 CH2 TRP A 6 3.205 0.501 3.885 1.00 0.00 C +ATOM 107 H TRP A 6 -2.329 0.162 -1.554 1.00 0.00 H +ATOM 108 HA TRP A 6 0.193 -1.170 -1.855 1.00 0.00 H +ATOM 109 HB2 TRP A 6 -0.076 1.206 -1.355 1.00 0.00 H +ATOM 110 HB3 TRP A 6 -0.737 0.847 0.222 1.00 0.00 H +ATOM 111 HD1 TRP A 6 2.524 0.581 -1.779 1.00 0.00 H +ATOM 112 HE1 TRP A 6 4.549 0.548 -0.121 1.00 0.00 H +ATOM 113 HE3 TRP A 6 0.001 0.500 2.681 1.00 0.00 H +ATOM 114 HZ2 TRP A 6 4.985 0.520 2.640 1.00 0.00 H +ATOM 115 HZ3 TRP A 6 1.267 0.489 4.823 1.00 0.00 H +ATOM 116 HH2 TRP A 6 3.747 0.509 4.821 1.00 0.00 H +ATOM 117 N LEU A 7 -1.429 -1.970 0.928 1.00 0.00 N +ATOM 118 CA LEU A 7 -1.563 -3.019 1.940 1.00 0.00 C +ATOM 119 C LEU A 7 -1.832 -4.398 1.325 1.00 0.00 C +ATOM 120 O LEU A 7 -1.302 -5.380 1.840 1.00 0.00 O +ATOM 121 CB LEU A 7 -2.671 -2.661 2.946 1.00 0.00 C +ATOM 122 CG LEU A 7 -2.287 -1.567 3.960 1.00 0.00 C +ATOM 123 CD1 LEU A 7 -3.511 -1.233 4.821 1.00 0.00 C +ATOM 124 CD2 LEU A 7 -1.148 -1.999 4.892 1.00 0.00 C +ATOM 125 H LEU A 7 -2.136 -1.238 0.898 1.00 0.00 H +ATOM 126 HA LEU A 7 -0.618 -3.107 2.473 1.00 0.00 H +ATOM 127 HB2 LEU A 7 -3.527 -2.321 2.395 1.00 0.00 H +ATOM 128 HB3 LEU A 7 -2.940 -3.558 3.506 1.00 0.00 H +ATOM 129 HG LEU A 7 -1.976 -0.668 3.433 1.00 0.00 H +ATOM 130 HD11 LEU A 7 -4.316 -0.864 4.185 1.00 0.00 H +ATOM 131 HD12 LEU A 7 -3.850 -2.123 5.351 1.00 0.00 H +ATOM 132 HD13 LEU A 7 -3.257 -0.464 5.550 1.00 0.00 H +ATOM 133 HD21 LEU A 7 -1.377 -2.965 5.340 1.00 0.00 H +ATOM 134 HD22 LEU A 7 -0.217 -2.069 4.334 1.00 0.00 H +ATOM 135 HD23 LEU A 7 -1.013 -1.260 5.680 1.00 0.00 H +ATOM 136 N LYS A 8 -2.599 -4.488 0.226 1.00 0.00 N +ATOM 137 CA LYS A 8 -2.976 -5.755 -0.427 1.00 0.00 C +ATOM 138 C LYS A 8 -1.777 -6.638 -0.783 1.00 0.00 C +ATOM 139 O LYS A 8 -1.856 -7.858 -0.664 1.00 0.00 O +ATOM 140 CB LYS A 8 -3.803 -5.465 -1.696 1.00 0.00 C +ATOM 141 CG LYS A 8 -4.622 -6.677 -2.165 1.00 0.00 C +ATOM 142 CD LYS A 8 -5.863 -6.886 -1.280 1.00 0.00 C +ATOM 143 CE LYS A 8 -6.602 -8.185 -1.607 1.00 0.00 C +ATOM 144 NZ LYS A 8 -5.801 -9.379 -1.240 1.00 0.00 N +ATOM 145 H LYS A 8 -3.048 -3.631 -0.094 1.00 0.00 H +ATOM 146 HA LYS A 8 -3.571 -6.320 0.286 1.00 0.00 H +ATOM 147 HB2 LYS A 8 -4.477 -4.656 -1.488 1.00 0.00 H +ATOM 148 HB3 LYS A 8 -3.125 -5.174 -2.502 1.00 0.00 H +ATOM 149 HG2 LYS A 8 -4.937 -6.516 -3.178 1.00 0.00 H +ATOM 150 HG3 LYS A 8 -3.995 -7.568 -2.162 1.00 0.00 H +ATOM 151 HD2 LYS A 8 -5.553 -6.915 -0.253 1.00 0.00 H +ATOM 152 HD3 LYS A 8 -6.542 -6.046 -1.435 1.00 0.00 H +ATOM 153 HE2 LYS A 8 -7.527 -8.206 -1.063 1.00 0.00 H +ATOM 154 HE3 LYS A 8 -6.842 -8.200 -2.674 1.00 0.00 H +ATOM 155 HZ1 LYS A 8 -4.958 -9.420 -1.800 1.00 0.00 H +ATOM 156 HZ2 LYS A 8 -5.526 -9.332 -0.267 1.00 0.00 H +ATOM 157 HZ3 LYS A 8 -6.335 -10.225 -1.388 1.00 0.00 H +ATOM 158 N ASP A 9 -0.693 -6.000 -1.216 1.00 0.00 N +ATOM 159 CA ASP A 9 0.577 -6.608 -1.609 1.00 0.00 C +ATOM 160 C ASP A 9 1.501 -6.893 -0.404 1.00 0.00 C +ATOM 161 O ASP A 9 2.502 -7.590 -0.554 1.00 0.00 O +ATOM 162 CB ASP A 9 1.191 -5.620 -2.609 1.00 0.00 C +ATOM 163 CG ASP A 9 2.246 -6.195 -3.544 1.00 0.00 C +ATOM 164 OD1 ASP A 9 1.842 -6.848 -4.529 1.00 0.00 O +ATOM 165 OD2 ASP A 9 3.401 -5.726 -3.445 1.00 0.00 O +ATOM 166 H ASP A 9 -0.773 -4.997 -1.309 1.00 0.00 H +ATOM 167 HA ASP A 9 0.386 -7.552 -2.122 1.00 0.00 H +ATOM 168 HB2 ASP A 9 0.396 -5.225 -3.212 1.00 0.00 H +ATOM 169 HB3 ASP A 9 1.601 -4.770 -2.070 1.00 0.00 H +ATOM 170 N GLY A 10 1.138 -6.413 0.799 1.00 0.00 N +ATOM 171 CA GLY A 10 1.851 -6.634 2.059 1.00 0.00 C +ATOM 172 C GLY A 10 2.515 -5.385 2.659 1.00 0.00 C +ATOM 173 O GLY A 10 3.469 -5.523 3.433 1.00 0.00 O +ATOM 174 H GLY A 10 0.235 -5.953 0.859 1.00 0.00 H +ATOM 175 HA2 GLY A 10 1.135 -7.004 2.792 1.00 0.00 H +ATOM 176 HA3 GLY A 10 2.606 -7.406 1.922 1.00 0.00 H +ATOM 177 N GLY A 11 2.037 -4.182 2.311 1.00 0.00 N +ATOM 178 CA GLY A 11 2.491 -2.882 2.819 1.00 0.00 C +ATOM 179 C GLY A 11 4.020 -2.705 2.788 1.00 0.00 C +ATOM 180 O GLY A 11 4.574 -2.593 1.694 1.00 0.00 O +ATOM 181 H GLY A 11 1.318 -4.166 1.598 1.00 0.00 H +ATOM 182 HA2 GLY A 11 2.060 -2.105 2.191 1.00 0.00 H +ATOM 183 HA3 GLY A 11 2.102 -2.739 3.824 1.00 0.00 H +ATOM 184 N PRO A 12 4.730 -2.700 3.937 1.00 0.00 N +ATOM 185 CA PRO A 12 6.196 -2.624 3.971 1.00 0.00 C +ATOM 186 C PRO A 12 6.905 -3.715 3.153 1.00 0.00 C +ATOM 187 O PRO A 12 8.004 -3.490 2.653 1.00 0.00 O +ATOM 188 CB PRO A 12 6.587 -2.742 5.450 1.00 0.00 C +ATOM 189 CG PRO A 12 5.333 -2.306 6.202 1.00 0.00 C +ATOM 190 CD PRO A 12 4.199 -2.770 5.292 1.00 0.00 C +ATOM 191 HA PRO A 12 6.504 -1.647 3.594 1.00 0.00 H +ATOM 192 HB2 PRO A 12 6.846 -3.754 5.696 1.00 0.00 H +ATOM 193 HB3 PRO A 12 7.442 -2.107 5.689 1.00 0.00 H +ATOM 194 HG2 PRO A 12 5.275 -2.782 7.162 1.00 0.00 H +ATOM 195 HG3 PRO A 12 5.315 -1.219 6.283 1.00 0.00 H +ATOM 196 HD2 PRO A 12 3.915 -3.777 5.531 1.00 0.00 H +ATOM 197 HD3 PRO A 12 3.335 -2.119 5.426 1.00 0.00 H +ATOM 198 N SER A 13 6.277 -4.888 3.002 1.00 0.00 N +ATOM 199 CA SER A 13 6.825 -6.021 2.248 1.00 0.00 C +ATOM 200 C SER A 13 6.595 -5.934 0.728 1.00 0.00 C +ATOM 201 O SER A 13 7.075 -6.791 -0.007 1.00 0.00 O +ATOM 202 CB SER A 13 6.342 -7.350 2.853 1.00 0.00 C +ATOM 203 OG SER A 13 4.946 -7.537 2.785 1.00 0.00 O +ATOM 204 H SER A 13 5.343 -4.969 3.391 1.00 0.00 H +ATOM 205 HA SER A 13 7.908 -6.013 2.377 1.00 0.00 H +ATOM 206 HB2 SER A 13 6.816 -8.154 2.324 1.00 0.00 H +ATOM 207 HB3 SER A 13 6.647 -7.388 3.900 1.00 0.00 H +ATOM 208 HG SER A 13 4.461 -6.757 3.136 1.00 0.00 H +ATOM 209 N SER A 14 5.937 -4.870 0.241 1.00 0.00 N +ATOM 210 CA SER A 14 5.582 -4.659 -1.171 1.00 0.00 C +ATOM 211 C SER A 14 6.709 -4.075 -2.046 1.00 0.00 C +ATOM 212 O SER A 14 6.506 -3.867 -3.240 1.00 0.00 O +ATOM 213 CB SER A 14 4.394 -3.697 -1.249 1.00 0.00 C +ATOM 214 OG SER A 14 3.342 -4.095 -0.399 1.00 0.00 O +ATOM 215 H SER A 14 5.543 -4.204 0.899 1.00 0.00 H +ATOM 216 HA SER A 14 5.276 -5.613 -1.607 1.00 0.00 H +ATOM 217 HB2 SER A 14 4.721 -2.717 -0.961 1.00 0.00 H +ATOM 218 HB3 SER A 14 4.025 -3.661 -2.271 1.00 0.00 H +ATOM 219 HG SER A 14 2.975 -3.313 0.029 1.00 0.00 H +ATOM 220 N GLY A 15 7.873 -3.737 -1.470 1.00 0.00 N +ATOM 221 CA GLY A 15 8.999 -3.132 -2.201 1.00 0.00 C +ATOM 222 C GLY A 15 8.848 -1.633 -2.516 1.00 0.00 C +ATOM 223 O GLY A 15 9.535 -1.130 -3.401 1.00 0.00 O +ATOM 224 H GLY A 15 7.986 -3.973 -0.495 1.00 0.00 H +ATOM 225 HA2 GLY A 15 9.912 -3.262 -1.623 1.00 0.00 H +ATOM 226 HA3 GLY A 15 9.130 -3.657 -3.149 1.00 0.00 H +ATOM 227 N ARG A 16 7.939 -0.924 -1.830 1.00 0.00 N +ATOM 228 CA ARG A 16 7.559 0.475 -2.105 1.00 0.00 C +ATOM 229 C ARG A 16 7.032 1.175 -0.838 1.00 0.00 C +ATOM 230 O ARG A 16 6.351 0.518 -0.047 1.00 0.00 O +ATOM 231 CB ARG A 16 6.517 0.515 -3.247 1.00 0.00 C +ATOM 232 CG ARG A 16 5.357 -0.489 -3.097 1.00 0.00 C +ATOM 233 CD ARG A 16 4.496 -0.583 -4.360 1.00 0.00 C +ATOM 234 NE ARG A 16 3.700 -1.826 -4.349 1.00 0.00 N +ATOM 235 CZ ARG A 16 3.398 -2.606 -5.380 1.00 0.00 C +ATOM 236 NH1 ARG A 16 3.636 -2.252 -6.620 1.00 0.00 N +ATOM 237 NH2 ARG A 16 2.850 -3.774 -5.180 1.00 0.00 N +ATOM 238 H ARG A 16 7.441 -1.405 -1.093 1.00 0.00 H +ATOM 239 HA ARG A 16 8.452 1.000 -2.443 1.00 0.00 H +ATOM 240 HB2 ARG A 16 6.101 1.503 -3.285 1.00 0.00 H +ATOM 241 HB3 ARG A 16 7.040 0.296 -4.178 1.00 0.00 H +ATOM 242 HG2 ARG A 16 5.766 -1.458 -2.886 1.00 0.00 H +ATOM 243 HG3 ARG A 16 4.736 -0.217 -2.247 1.00 0.00 H +ATOM 244 HD2 ARG A 16 3.834 0.260 -4.400 1.00 0.00 H +ATOM 245 HD3 ARG A 16 5.162 -0.588 -5.225 1.00 0.00 H +ATOM 246 HE ARG A 16 3.410 -2.188 -3.456 1.00 0.00 H +ATOM 247 HH11 ARG A 16 4.099 -1.379 -6.787 1.00 0.00 H +ATOM 248 HH12 ARG A 16 3.425 -2.883 -7.370 1.00 0.00 H +ATOM 249 HH21 ARG A 16 3.013 -4.274 -4.292 1.00 0.00 H +ATOM 250 HH22 ARG A 16 2.589 -4.386 -5.930 1.00 0.00 H +ATOM 251 N PRO A 17 7.296 2.484 -0.642 1.00 0.00 N +ATOM 252 CA PRO A 17 6.862 3.230 0.546 1.00 0.00 C +ATOM 253 C PRO A 17 5.336 3.464 0.578 1.00 0.00 C +ATOM 254 O PRO A 17 4.676 3.310 -0.454 1.00 0.00 O +ATOM 255 CB PRO A 17 7.636 4.555 0.478 1.00 0.00 C +ATOM 256 CG PRO A 17 7.830 4.776 -1.020 1.00 0.00 C +ATOM 257 CD PRO A 17 8.034 3.357 -1.545 1.00 0.00 C +ATOM 258 HA PRO A 17 7.157 2.685 1.444 1.00 0.00 H +ATOM 259 HB2 PRO A 17 7.068 5.354 0.914 1.00 0.00 H +ATOM 260 HB3 PRO A 17 8.609 4.434 0.956 1.00 0.00 H +ATOM 261 HG2 PRO A 17 6.963 5.230 -1.460 1.00 0.00 H +ATOM 262 HG3 PRO A 17 8.689 5.414 -1.228 1.00 0.00 H +ATOM 263 HD2 PRO A 17 7.651 3.270 -2.543 1.00 0.00 H +ATOM 264 HD3 PRO A 17 9.094 3.104 -1.509 1.00 0.00 H +ATOM 265 N PRO A 18 4.762 3.851 1.737 1.00 0.00 N +ATOM 266 CA PRO A 18 3.324 4.085 1.879 1.00 0.00 C +ATOM 267 C PRO A 18 2.832 5.288 1.045 1.00 0.00 C +ATOM 268 O PRO A 18 3.507 6.319 1.003 1.00 0.00 O +ATOM 269 CB PRO A 18 3.085 4.299 3.378 1.00 0.00 C +ATOM 270 CG PRO A 18 4.437 4.766 3.908 1.00 0.00 C +ATOM 271 CD PRO A 18 5.429 4.018 3.023 1.00 0.00 C +ATOM 272 HA PRO A 18 2.803 3.182 1.576 1.00 0.00 H +ATOM 273 HB2 PRO A 18 2.333 5.047 3.541 1.00 0.00 H +ATOM 274 HB3 PRO A 18 2.823 3.348 3.843 1.00 0.00 H +ATOM 275 HG2 PRO A 18 4.548 5.828 3.800 1.00 0.00 H +ATOM 276 HG3 PRO A 18 4.568 4.519 4.962 1.00 0.00 H +ATOM 277 HD2 PRO A 18 6.330 4.589 2.906 1.00 0.00 H +ATOM 278 HD3 PRO A 18 5.634 3.036 3.452 1.00 0.00 H +ATOM 279 N PRO A 19 1.660 5.185 0.385 1.00 0.00 N +ATOM 280 CA PRO A 19 1.102 6.250 -0.443 1.00 0.00 C +ATOM 281 C PRO A 19 0.321 7.283 0.390 1.00 0.00 C +ATOM 282 O PRO A 19 -0.811 7.023 0.804 1.00 0.00 O +ATOM 283 CB PRO A 19 0.206 5.530 -1.455 1.00 0.00 C +ATOM 284 CG PRO A 19 -0.321 4.332 -0.664 1.00 0.00 C +ATOM 285 CD PRO A 19 0.850 3.979 0.253 1.00 0.00 C +ATOM 286 HA PRO A 19 1.900 6.759 -0.984 1.00 0.00 H +ATOM 287 HB2 PRO A 19 -0.598 6.163 -1.776 1.00 0.00 H +ATOM 288 HB3 PRO A 19 0.818 5.174 -2.286 1.00 0.00 H +ATOM 289 HG2 PRO A 19 -1.190 4.599 -0.094 1.00 0.00 H +ATOM 290 HG3 PRO A 19 -0.584 3.506 -1.323 1.00 0.00 H +ATOM 291 HD2 PRO A 19 0.487 3.671 1.214 1.00 0.00 H +ATOM 292 HD3 PRO A 19 1.451 3.202 -0.216 1.00 0.00 H +ATOM 293 N SER A 20 0.922 8.471 0.555 1.00 0.00 N +ATOM 294 CA SER A 20 0.386 9.673 1.224 1.00 0.00 C +ATOM 295 C SER A 20 0.416 9.627 2.763 1.00 0.00 C +ATOM 296 O SER A 20 1.001 8.684 3.339 1.00 0.00 O +ATOM 297 CB SER A 20 -1.018 10.026 0.706 1.00 0.00 C +ATOM 298 OG SER A 20 -1.373 11.233 1.334 1.00 0.00 O +ATOM 299 OXT SER A 20 -0.165 10.594 3.315 1.00 0.00 O +ATOM 300 H SER A 20 1.888 8.511 0.265 1.00 0.00 H +ATOM 301 HA SER A 20 1.034 10.508 0.958 1.00 0.00 H +ATOM 302 HB2 SER A 20 -1.001 10.151 -0.360 1.00 0.00 H +ATOM 303 HB3 SER A 20 -1.730 9.255 1.002 1.00 0.00 H +ATOM 304 HG SER A 20 -0.935 11.116 2.254 1.00 0.00 H +TER 305 SER A 20 +ENDMDL +MODEL 15 +ATOM 1 N ASN A 1 -5.555 8.004 -1.532 1.00 0.00 N +ATOM 2 CA ASN A 1 -6.571 6.932 -1.361 1.00 0.00 C +ATOM 3 C ASN A 1 -6.105 5.544 -1.850 1.00 0.00 C +ATOM 4 O ASN A 1 -6.936 4.715 -2.200 1.00 0.00 O +ATOM 5 CB ASN A 1 -7.897 7.340 -2.038 1.00 0.00 C +ATOM 6 CG ASN A 1 -9.071 6.615 -1.385 1.00 0.00 C +ATOM 7 OD1 ASN A 1 -9.297 6.771 -0.197 1.00 0.00 O +ATOM 8 ND2 ASN A 1 -9.821 5.802 -2.107 1.00 0.00 N +ATOM 9 H1 ASN A 1 -4.747 7.831 -0.949 1.00 0.00 H +ATOM 10 H2 ASN A 1 -5.271 8.069 -2.500 1.00 0.00 H +ATOM 11 H3 ASN A 1 -5.951 8.893 -1.252 1.00 0.00 H +ATOM 12 HA ASN A 1 -6.784 6.837 -0.294 1.00 0.00 H +ATOM 13 HB2 ASN A 1 -8.035 8.399 -1.937 1.00 0.00 H +ATOM 14 HB3 ASN A 1 -7.861 7.128 -3.108 1.00 0.00 H +ATOM 15 HD21 ASN A 1 -9.603 5.565 -3.060 1.00 0.00 H +ATOM 16 HD22 ASN A 1 -10.562 5.348 -1.598 1.00 0.00 H +ATOM 17 N LEU A 2 -4.794 5.254 -1.881 1.00 0.00 N +ATOM 18 CA LEU A 2 -4.259 3.990 -2.422 1.00 0.00 C +ATOM 19 C LEU A 2 -3.783 3.017 -1.328 1.00 0.00 C +ATOM 20 O LEU A 2 -3.304 1.928 -1.638 1.00 0.00 O +ATOM 21 CB LEU A 2 -3.148 4.316 -3.442 1.00 0.00 C +ATOM 22 CG LEU A 2 -3.647 5.049 -4.702 1.00 0.00 C +ATOM 23 CD1 LEU A 2 -2.468 5.586 -5.520 1.00 0.00 C +ATOM 24 CD2 LEU A 2 -4.488 4.133 -5.599 1.00 0.00 C +ATOM 25 H LEU A 2 -4.097 5.917 -1.583 1.00 0.00 H +ATOM 26 HA LEU A 2 -5.044 3.453 -2.954 1.00 0.00 H +ATOM 27 HB2 LEU A 2 -2.418 4.936 -2.958 1.00 0.00 H +ATOM 28 HB3 LEU A 2 -2.649 3.395 -3.748 1.00 0.00 H +ATOM 29 HG LEU A 2 -4.253 5.904 -4.403 1.00 0.00 H +ATOM 30 HD11 LEU A 2 -1.705 6.004 -4.864 1.00 0.00 H +ATOM 31 HD12 LEU A 2 -2.024 4.789 -6.119 1.00 0.00 H +ATOM 32 HD13 LEU A 2 -2.821 6.376 -6.183 1.00 0.00 H +ATOM 33 HD21 LEU A 2 -3.921 3.235 -5.845 1.00 0.00 H +ATOM 34 HD22 LEU A 2 -5.413 3.854 -5.094 1.00 0.00 H +ATOM 35 HD23 LEU A 2 -4.743 4.655 -6.521 1.00 0.00 H +ATOM 36 N TYR A 3 -3.936 3.389 -0.051 1.00 0.00 N +ATOM 37 CA TYR A 3 -3.430 2.642 1.105 1.00 0.00 C +ATOM 38 C TYR A 3 -3.954 1.198 1.152 1.00 0.00 C +ATOM 39 O TYR A 3 -3.201 0.279 1.464 1.00 0.00 O +ATOM 40 CB TYR A 3 -3.762 3.414 2.395 1.00 0.00 C +ATOM 41 CG TYR A 3 -2.656 3.341 3.430 1.00 0.00 C +ATOM 42 CD1 TYR A 3 -2.409 2.135 4.112 1.00 0.00 C +ATOM 43 CD2 TYR A 3 -1.845 4.468 3.678 1.00 0.00 C +ATOM 44 CE1 TYR A 3 -1.337 2.043 5.019 1.00 0.00 C +ATOM 45 CE2 TYR A 3 -0.773 4.382 4.586 1.00 0.00 C +ATOM 46 CZ TYR A 3 -0.505 3.158 5.243 1.00 0.00 C +ATOM 47 OH TYR A 3 0.567 3.040 6.071 1.00 0.00 O +ATOM 48 H TYR A 3 -4.366 4.282 0.125 1.00 0.00 H +ATOM 49 HA TYR A 3 -2.345 2.592 1.013 1.00 0.00 H +ATOM 50 HB2 TYR A 3 -3.928 4.444 2.144 1.00 0.00 H +ATOM 51 HB3 TYR A 3 -4.687 3.030 2.829 1.00 0.00 H +ATOM 52 HD1 TYR A 3 -3.032 1.273 3.926 1.00 0.00 H +ATOM 53 HD2 TYR A 3 -2.028 5.403 3.166 1.00 0.00 H +ATOM 54 HE1 TYR A 3 -1.128 1.119 5.535 1.00 0.00 H +ATOM 55 HE2 TYR A 3 -0.160 5.252 4.768 1.00 0.00 H +ATOM 56 HH TYR A 3 1.163 3.787 5.994 1.00 0.00 H +ATOM 57 N ILE A 4 -5.227 0.988 0.788 1.00 0.00 N +ATOM 58 CA ILE A 4 -5.849 -0.340 0.711 1.00 0.00 C +ATOM 59 C ILE A 4 -5.125 -1.216 -0.325 1.00 0.00 C +ATOM 60 O ILE A 4 -4.736 -2.340 -0.013 1.00 0.00 O +ATOM 61 CB ILE A 4 -7.369 -0.238 0.414 1.00 0.00 C +ATOM 62 CG1 ILE A 4 -8.095 0.818 1.288 1.00 0.00 C +ATOM 63 CG2 ILE A 4 -8.031 -1.608 0.641 1.00 0.00 C +ATOM 64 CD1 ILE A 4 -8.378 2.119 0.526 1.00 0.00 C +ATOM 65 H ILE A 4 -5.784 1.799 0.563 1.00 0.00 H +ATOM 66 HA ILE A 4 -5.728 -0.819 1.684 1.00 0.00 H +ATOM 67 HB ILE A 4 -7.507 0.023 -0.637 1.00 0.00 H +ATOM 68 HG12 ILE A 4 -9.027 0.405 1.622 1.00 0.00 H +ATOM 69 HG13 ILE A 4 -7.505 1.038 2.179 1.00 0.00 H +ATOM 70 HG21 ILE A 4 -7.517 -2.377 0.069 1.00 0.00 H +ATOM 71 HG22 ILE A 4 -7.986 -1.872 1.699 1.00 0.00 H +ATOM 72 HG23 ILE A 4 -9.075 -1.566 0.331 1.00 0.00 H +ATOM 73 HD11 ILE A 4 -7.483 2.471 0.011 1.00 0.00 H +ATOM 74 HD12 ILE A 4 -9.168 1.948 -0.207 1.00 0.00 H +ATOM 75 HD13 ILE A 4 -8.711 2.887 1.226 1.00 0.00 H +ATOM 76 N GLN A 5 -4.916 -0.702 -1.546 1.00 0.00 N +ATOM 77 CA GLN A 5 -4.150 -1.391 -2.590 1.00 0.00 C +ATOM 78 C GLN A 5 -2.691 -1.624 -2.173 1.00 0.00 C +ATOM 79 O GLN A 5 -2.176 -2.721 -2.360 1.00 0.00 O +ATOM 80 CB GLN A 5 -4.230 -0.639 -3.931 1.00 0.00 C +ATOM 81 CG GLN A 5 -5.625 -0.733 -4.579 1.00 0.00 C +ATOM 82 CD GLN A 5 -5.546 -0.884 -6.097 1.00 0.00 C +ATOM 83 OE1 GLN A 5 -5.814 -1.942 -6.641 1.00 0.00 O +ATOM 84 NE2 GLN A 5 -5.189 0.150 -6.835 1.00 0.00 N +ATOM 85 H GLN A 5 -5.185 0.257 -1.709 1.00 0.00 H +ATOM 86 HA GLN A 5 -4.580 -2.380 -2.738 1.00 0.00 H +ATOM 87 HB2 GLN A 5 -3.999 0.395 -3.760 1.00 0.00 H +ATOM 88 HB3 GLN A 5 -3.503 -1.090 -4.608 1.00 0.00 H +ATOM 89 HG2 GLN A 5 -6.138 -1.583 -4.173 1.00 0.00 H +ATOM 90 HG3 GLN A 5 -6.209 0.153 -4.330 1.00 0.00 H +ATOM 91 HE21 GLN A 5 -4.962 1.049 -6.453 1.00 0.00 H +ATOM 92 HE22 GLN A 5 -5.143 -0.061 -7.818 1.00 0.00 H +ATOM 93 N TRP A 6 -2.038 -0.638 -1.550 1.00 0.00 N +ATOM 94 CA TRP A 6 -0.680 -0.802 -1.023 1.00 0.00 C +ATOM 95 C TRP A 6 -0.581 -1.902 0.052 1.00 0.00 C +ATOM 96 O TRP A 6 0.370 -2.683 0.054 1.00 0.00 O +ATOM 97 CB TRP A 6 -0.182 0.548 -0.505 1.00 0.00 C +ATOM 98 CG TRP A 6 1.217 0.527 0.021 1.00 0.00 C +ATOM 99 CD1 TRP A 6 2.341 0.528 -0.734 1.00 0.00 C +ATOM 100 CD2 TRP A 6 1.664 0.460 1.409 1.00 0.00 C +ATOM 101 NE1 TRP A 6 3.445 0.460 0.092 1.00 0.00 N +ATOM 102 CE2 TRP A 6 3.088 0.426 1.419 1.00 0.00 C +ATOM 103 CE3 TRP A 6 1.014 0.427 2.664 1.00 0.00 C +ATOM 104 CZ2 TRP A 6 3.837 0.383 2.600 1.00 0.00 C +ATOM 105 CZ3 TRP A 6 1.756 0.370 3.860 1.00 0.00 C +ATOM 106 CH2 TRP A 6 3.163 0.355 3.831 1.00 0.00 C +ATOM 107 H TRP A 6 -2.505 0.261 -1.452 1.00 0.00 H +ATOM 108 HA TRP A 6 -0.030 -1.112 -1.845 1.00 0.00 H +ATOM 109 HB2 TRP A 6 -0.227 1.255 -1.311 1.00 0.00 H +ATOM 110 HB3 TRP A 6 -0.844 0.890 0.290 1.00 0.00 H +ATOM 111 HD1 TRP A 6 2.361 0.562 -1.814 1.00 0.00 H +ATOM 112 HE1 TRP A 6 4.420 0.464 -0.212 1.00 0.00 H +ATOM 113 HE3 TRP A 6 -0.065 0.453 2.696 1.00 0.00 H +ATOM 114 HZ2 TRP A 6 4.916 0.365 2.548 1.00 0.00 H +ATOM 115 HZ3 TRP A 6 1.242 0.352 4.811 1.00 0.00 H +ATOM 116 HH2 TRP A 6 3.723 0.327 4.755 1.00 0.00 H +ATOM 117 N LEU A 7 -1.576 -2.011 0.945 1.00 0.00 N +ATOM 118 CA LEU A 7 -1.649 -3.105 1.914 1.00 0.00 C +ATOM 119 C LEU A 7 -1.882 -4.474 1.254 1.00 0.00 C +ATOM 120 O LEU A 7 -1.265 -5.442 1.698 1.00 0.00 O +ATOM 121 CB LEU A 7 -2.712 -2.809 2.985 1.00 0.00 C +ATOM 122 CG LEU A 7 -2.272 -1.754 4.020 1.00 0.00 C +ATOM 123 CD1 LEU A 7 -3.470 -1.358 4.888 1.00 0.00 C +ATOM 124 CD2 LEU A 7 -1.166 -2.267 4.955 1.00 0.00 C +ATOM 125 H LEU A 7 -2.302 -1.297 0.951 1.00 0.00 H +ATOM 126 HA LEU A 7 -0.678 -3.182 2.402 1.00 0.00 H +ATOM 127 HB2 LEU A 7 -3.598 -2.454 2.494 1.00 0.00 H +ATOM 128 HB3 LEU A 7 -2.946 -3.732 3.519 1.00 0.00 H +ATOM 129 HG LEU A 7 -1.907 -0.864 3.508 1.00 0.00 H +ATOM 130 HD11 LEU A 7 -4.258 -0.942 4.261 1.00 0.00 H +ATOM 131 HD12 LEU A 7 -3.855 -2.232 5.416 1.00 0.00 H +ATOM 132 HD13 LEU A 7 -3.169 -0.607 5.619 1.00 0.00 H +ATOM 133 HD21 LEU A 7 -1.504 -3.160 5.481 1.00 0.00 H +ATOM 134 HD22 LEU A 7 -0.268 -2.501 4.389 1.00 0.00 H +ATOM 135 HD23 LEU A 7 -0.914 -1.496 5.684 1.00 0.00 H +ATOM 136 N LYS A 8 -2.698 -4.571 0.188 1.00 0.00 N +ATOM 137 CA LYS A 8 -2.920 -5.824 -0.568 1.00 0.00 C +ATOM 138 C LYS A 8 -1.620 -6.483 -1.050 1.00 0.00 C +ATOM 139 O LYS A 8 -1.511 -7.703 -0.966 1.00 0.00 O +ATOM 140 CB LYS A 8 -3.867 -5.590 -1.762 1.00 0.00 C +ATOM 141 CG LYS A 8 -5.354 -5.831 -1.453 1.00 0.00 C +ATOM 142 CD LYS A 8 -6.249 -4.698 -1.982 1.00 0.00 C +ATOM 143 CE LYS A 8 -7.691 -5.177 -2.180 1.00 0.00 C +ATOM 144 NZ LYS A 8 -8.665 -4.079 -1.976 1.00 0.00 N +ATOM 145 H LYS A 8 -3.180 -3.726 -0.103 1.00 0.00 H +ATOM 146 HA LYS A 8 -3.374 -6.556 0.102 1.00 0.00 H +ATOM 147 HB2 LYS A 8 -3.752 -4.574 -2.087 1.00 0.00 H +ATOM 148 HB3 LYS A 8 -3.594 -6.271 -2.572 1.00 0.00 H +ATOM 149 HG2 LYS A 8 -5.657 -6.753 -1.911 1.00 0.00 H +ATOM 150 HG3 LYS A 8 -5.512 -5.922 -0.377 1.00 0.00 H +ATOM 151 HD2 LYS A 8 -6.243 -3.889 -1.277 1.00 0.00 H +ATOM 152 HD3 LYS A 8 -5.872 -4.334 -2.938 1.00 0.00 H +ATOM 153 HE2 LYS A 8 -7.798 -5.556 -3.178 1.00 0.00 H +ATOM 154 HE3 LYS A 8 -7.897 -5.991 -1.480 1.00 0.00 H +ATOM 155 HZ1 LYS A 8 -8.685 -3.817 -0.999 1.00 0.00 H +ATOM 156 HZ2 LYS A 8 -8.405 -3.272 -2.528 1.00 0.00 H +ATOM 157 HZ3 LYS A 8 -9.592 -4.377 -2.248 1.00 0.00 H +ATOM 158 N ASP A 9 -0.639 -5.703 -1.510 1.00 0.00 N +ATOM 159 CA ASP A 9 0.688 -6.202 -1.905 1.00 0.00 C +ATOM 160 C ASP A 9 1.568 -6.674 -0.725 1.00 0.00 C +ATOM 161 O ASP A 9 2.581 -7.332 -0.959 1.00 0.00 O +ATOM 162 CB ASP A 9 1.424 -5.117 -2.708 1.00 0.00 C +ATOM 163 CG ASP A 9 1.030 -5.128 -4.186 1.00 0.00 C +ATOM 164 OD1 ASP A 9 0.004 -4.494 -4.518 1.00 0.00 O +ATOM 165 OD2 ASP A 9 1.768 -5.764 -4.970 1.00 0.00 O +ATOM 166 H ASP A 9 -0.835 -4.715 -1.632 1.00 0.00 H +ATOM 167 HA ASP A 9 0.559 -7.070 -2.554 1.00 0.00 H +ATOM 168 HB2 ASP A 9 1.184 -4.157 -2.293 1.00 0.00 H +ATOM 169 HB3 ASP A 9 2.495 -5.299 -2.651 1.00 0.00 H +ATOM 170 N GLY A 10 1.193 -6.382 0.530 1.00 0.00 N +ATOM 171 CA GLY A 10 1.971 -6.722 1.726 1.00 0.00 C +ATOM 172 C GLY A 10 2.536 -5.512 2.484 1.00 0.00 C +ATOM 173 O GLY A 10 3.434 -5.686 3.319 1.00 0.00 O +ATOM 174 H GLY A 10 0.285 -5.945 0.663 1.00 0.00 H +ATOM 175 HA2 GLY A 10 1.329 -7.276 2.410 1.00 0.00 H +ATOM 176 HA3 GLY A 10 2.805 -7.370 1.457 1.00 0.00 H +ATOM 177 N GLY A 11 2.052 -4.294 2.195 1.00 0.00 N +ATOM 178 CA GLY A 11 2.478 -3.045 2.826 1.00 0.00 C +ATOM 179 C GLY A 11 4.005 -2.879 2.813 1.00 0.00 C +ATOM 180 O GLY A 11 4.582 -2.906 1.721 1.00 0.00 O +ATOM 181 H GLY A 11 1.402 -4.219 1.418 1.00 0.00 H +ATOM 182 HA2 GLY A 11 2.046 -2.213 2.270 1.00 0.00 H +ATOM 183 HA3 GLY A 11 2.084 -3.016 3.839 1.00 0.00 H +ATOM 184 N PRO A 12 4.692 -2.759 3.973 1.00 0.00 N +ATOM 185 CA PRO A 12 6.152 -2.629 4.039 1.00 0.00 C +ATOM 186 C PRO A 12 6.923 -3.746 3.321 1.00 0.00 C +ATOM 187 O PRO A 12 8.027 -3.514 2.831 1.00 0.00 O +ATOM 188 CB PRO A 12 6.510 -2.622 5.531 1.00 0.00 C +ATOM 189 CG PRO A 12 5.218 -2.200 6.225 1.00 0.00 C +ATOM 190 CD PRO A 12 4.129 -2.762 5.317 1.00 0.00 C +ATOM 191 HA PRO A 12 6.435 -1.671 3.598 1.00 0.00 H +ATOM 192 HB2 PRO A 12 6.814 -3.599 5.854 1.00 0.00 H +ATOM 193 HB3 PRO A 12 7.322 -1.925 5.744 1.00 0.00 H +ATOM 194 HG2 PRO A 12 5.154 -2.624 7.209 1.00 0.00 H +ATOM 195 HG3 PRO A 12 5.152 -1.112 6.247 1.00 0.00 H +ATOM 196 HD2 PRO A 12 3.874 -3.761 5.613 1.00 0.00 H +ATOM 197 HD3 PRO A 12 3.237 -2.141 5.389 1.00 0.00 H +ATOM 198 N SER A 13 6.342 -4.949 3.227 1.00 0.00 N +ATOM 199 CA SER A 13 6.953 -6.108 2.565 1.00 0.00 C +ATOM 200 C SER A 13 6.835 -6.089 1.028 1.00 0.00 C +ATOM 201 O SER A 13 7.310 -7.013 0.372 1.00 0.00 O +ATOM 202 CB SER A 13 6.418 -7.407 3.189 1.00 0.00 C +ATOM 203 OG SER A 13 5.049 -7.646 2.925 1.00 0.00 O +ATOM 204 H SER A 13 5.398 -5.042 3.586 1.00 0.00 H +ATOM 205 HA SER A 13 8.021 -6.087 2.780 1.00 0.00 H +ATOM 206 HB2 SER A 13 6.986 -8.229 2.798 1.00 0.00 H +ATOM 207 HB3 SER A 13 6.570 -7.367 4.269 1.00 0.00 H +ATOM 208 HG SER A 13 4.491 -6.875 3.179 1.00 0.00 H +ATOM 209 N SER A 14 6.261 -5.024 0.445 1.00 0.00 N +ATOM 210 CA SER A 14 5.991 -4.891 -1.000 1.00 0.00 C +ATOM 211 C SER A 14 7.137 -4.279 -1.817 1.00 0.00 C +ATOM 212 O SER A 14 7.039 -4.212 -3.040 1.00 0.00 O +ATOM 213 CB SER A 14 4.767 -3.997 -1.251 1.00 0.00 C +ATOM 214 OG SER A 14 3.740 -4.198 -0.309 1.00 0.00 O +ATOM 215 H SER A 14 5.896 -4.305 1.059 1.00 0.00 H +ATOM 216 HA SER A 14 5.772 -5.881 -1.404 1.00 0.00 H +ATOM 217 HB2 SER A 14 5.077 -2.971 -1.206 1.00 0.00 H +ATOM 218 HB3 SER A 14 4.387 -4.198 -2.253 1.00 0.00 H +ATOM 219 HG SER A 14 3.989 -3.688 0.498 1.00 0.00 H +ATOM 220 N GLY A 15 8.190 -3.753 -1.173 1.00 0.00 N +ATOM 221 CA GLY A 15 9.278 -3.048 -1.864 1.00 0.00 C +ATOM 222 C GLY A 15 8.923 -1.636 -2.363 1.00 0.00 C +ATOM 223 O GLY A 15 9.597 -1.125 -3.256 1.00 0.00 O +ATOM 224 H GLY A 15 8.230 -3.874 -0.169 1.00 0.00 H +ATOM 225 HA2 GLY A 15 10.132 -2.963 -1.193 1.00 0.00 H +ATOM 226 HA3 GLY A 15 9.593 -3.638 -2.728 1.00 0.00 H +ATOM 227 N ARG A 16 7.874 -1.002 -1.812 1.00 0.00 N +ATOM 228 CA ARG A 16 7.382 0.330 -2.201 1.00 0.00 C +ATOM 229 C ARG A 16 6.915 1.120 -0.964 1.00 0.00 C +ATOM 230 O ARG A 16 6.231 0.524 -0.128 1.00 0.00 O +ATOM 231 CB ARG A 16 6.224 0.134 -3.199 1.00 0.00 C +ATOM 232 CG ARG A 16 5.717 1.452 -3.807 1.00 0.00 C +ATOM 233 CD ARG A 16 4.513 1.235 -4.737 1.00 0.00 C +ATOM 234 NE ARG A 16 4.760 1.773 -6.087 1.00 0.00 N +ATOM 235 CZ ARG A 16 5.414 1.176 -7.078 1.00 0.00 C +ATOM 236 NH1 ARG A 16 5.904 -0.036 -6.958 1.00 0.00 N +ATOM 237 NH2 ARG A 16 5.592 1.801 -8.218 1.00 0.00 N +ATOM 238 H ARG A 16 7.386 -1.480 -1.068 1.00 0.00 H +ATOM 239 HA ARG A 16 8.193 0.866 -2.695 1.00 0.00 H +ATOM 240 HB2 ARG A 16 6.564 -0.500 -3.995 1.00 0.00 H +ATOM 241 HB3 ARG A 16 5.397 -0.368 -2.693 1.00 0.00 H +ATOM 242 HG2 ARG A 16 5.425 2.110 -3.011 1.00 0.00 H +ATOM 243 HG3 ARG A 16 6.533 1.921 -4.356 1.00 0.00 H +ATOM 244 HD2 ARG A 16 4.318 0.183 -4.813 1.00 0.00 H +ATOM 245 HD3 ARG A 16 3.650 1.750 -4.307 1.00 0.00 H +ATOM 246 HE ARG A 16 4.417 2.701 -6.269 1.00 0.00 H +ATOM 247 HH11 ARG A 16 5.763 -0.524 -6.091 1.00 0.00 H +ATOM 248 HH12 ARG A 16 6.395 -0.483 -7.711 1.00 0.00 H +ATOM 249 HH21 ARG A 16 5.241 2.733 -8.353 1.00 0.00 H +ATOM 250 HH22 ARG A 16 6.087 1.345 -8.963 1.00 0.00 H +ATOM 251 N PRO A 17 7.201 2.434 -0.845 1.00 0.00 N +ATOM 252 CA PRO A 17 6.709 3.260 0.266 1.00 0.00 C +ATOM 253 C PRO A 17 5.174 3.417 0.252 1.00 0.00 C +ATOM 254 O PRO A 17 4.553 3.245 -0.801 1.00 0.00 O +ATOM 255 CB PRO A 17 7.409 4.616 0.102 1.00 0.00 C +ATOM 256 CG PRO A 17 7.686 4.697 -1.397 1.00 0.00 C +ATOM 257 CD PRO A 17 7.996 3.247 -1.757 1.00 0.00 C +ATOM 258 HA PRO A 17 7.014 2.807 1.209 1.00 0.00 H +ATOM 259 HB2 PRO A 17 6.770 5.418 0.418 1.00 0.00 H +ATOM 260 HB3 PRO A 17 8.355 4.606 0.646 1.00 0.00 H +ATOM 261 HG2 PRO A 17 6.826 5.053 -1.931 1.00 0.00 H +ATOM 262 HG3 PRO A 17 8.523 5.360 -1.621 1.00 0.00 H +ATOM 263 HD2 PRO A 17 7.719 3.047 -2.774 1.00 0.00 H +ATOM 264 HD3 PRO A 17 9.056 3.045 -1.589 1.00 0.00 H +ATOM 265 N PRO A 18 4.551 3.769 1.395 1.00 0.00 N +ATOM 266 CA PRO A 18 3.107 3.972 1.479 1.00 0.00 C +ATOM 267 C PRO A 18 2.667 5.246 0.736 1.00 0.00 C +ATOM 268 O PRO A 18 3.406 6.231 0.715 1.00 0.00 O +ATOM 269 CB PRO A 18 2.790 4.070 2.975 1.00 0.00 C +ATOM 270 CG PRO A 18 4.088 4.608 3.577 1.00 0.00 C +ATOM 271 CD PRO A 18 5.169 3.986 2.696 1.00 0.00 C +ATOM 272 HA PRO A 18 2.605 3.104 1.061 1.00 0.00 H +ATOM 273 HB2 PRO A 18 1.976 4.746 3.152 1.00 0.00 H +ATOM 274 HB3 PRO A 18 2.591 3.076 3.371 1.00 0.00 H +ATOM 275 HG2 PRO A 18 4.120 5.679 3.526 1.00 0.00 H +ATOM 276 HG3 PRO A 18 4.200 4.315 4.621 1.00 0.00 H +ATOM 277 HD2 PRO A 18 6.005 4.652 2.605 1.00 0.00 H +ATOM 278 HD3 PRO A 18 5.478 3.028 3.113 1.00 0.00 H +ATOM 279 N PRO A 19 1.453 5.261 0.157 1.00 0.00 N +ATOM 280 CA PRO A 19 0.895 6.437 -0.497 1.00 0.00 C +ATOM 281 C PRO A 19 0.313 7.426 0.527 1.00 0.00 C +ATOM 282 O PRO A 19 -0.289 7.024 1.526 1.00 0.00 O +ATOM 283 CB PRO A 19 -0.191 5.879 -1.419 1.00 0.00 C +ATOM 284 CG PRO A 19 -0.709 4.662 -0.648 1.00 0.00 C +ATOM 285 CD PRO A 19 0.528 4.140 0.072 1.00 0.00 C +ATOM 286 HA PRO A 19 1.661 6.937 -1.093 1.00 0.00 H +ATOM 287 HB2 PRO A 19 -0.972 6.598 -1.574 1.00 0.00 H +ATOM 288 HB3 PRO A 19 0.264 5.549 -2.354 1.00 0.00 H +ATOM 289 HG2 PRO A 19 -1.469 4.948 0.054 1.00 0.00 H +ATOM 290 HG3 PRO A 19 -1.113 3.904 -1.316 1.00 0.00 H +ATOM 291 HD2 PRO A 19 0.269 3.796 1.055 1.00 0.00 H +ATOM 292 HD3 PRO A 19 0.983 3.342 -0.516 1.00 0.00 H +ATOM 293 N SER A 20 0.435 8.721 0.221 1.00 0.00 N +ATOM 294 CA SER A 20 -0.096 9.858 0.986 1.00 0.00 C +ATOM 295 C SER A 20 -0.738 10.863 0.030 1.00 0.00 C +ATOM 296 O SER A 20 0.078 11.508 -0.677 1.00 0.00 O +ATOM 297 CB SER A 20 1.036 10.515 1.790 1.00 0.00 C +ATOM 298 OG SER A 20 1.921 11.080 0.848 1.00 0.00 O +ATOM 299 OXT SER A 20 -1.985 10.935 0.010 1.00 0.00 O +ATOM 300 H SER A 20 0.966 8.976 -0.599 1.00 0.00 H +ATOM 301 HA SER A 20 -0.871 9.518 1.672 1.00 0.00 H +ATOM 302 HB2 SER A 20 0.640 11.279 2.431 1.00 0.00 H +ATOM 303 HB3 SER A 20 1.548 9.780 2.415 1.00 0.00 H +ATOM 304 HG SER A 20 1.284 11.357 0.104 1.00 0.00 H +TER 305 SER A 20 +ENDMDL +MODEL 16 +ATOM 1 N ASN A 1 -8.985 3.821 -0.843 1.00 0.00 N +ATOM 2 CA ASN A 1 -8.461 2.997 -1.957 1.00 0.00 C +ATOM 3 C ASN A 1 -6.942 2.892 -1.960 1.00 0.00 C +ATOM 4 O ASN A 1 -6.453 1.798 -1.714 1.00 0.00 O +ATOM 5 CB ASN A 1 -9.056 3.439 -3.298 1.00 0.00 C +ATOM 6 CG ASN A 1 -10.516 3.025 -3.296 1.00 0.00 C +ATOM 7 OD1 ASN A 1 -11.303 3.596 -2.558 1.00 0.00 O +ATOM 8 ND2 ASN A 1 -10.879 1.968 -3.997 1.00 0.00 N +ATOM 9 H1 ASN A 1 -8.630 3.491 0.044 1.00 0.00 H +ATOM 10 H2 ASN A 1 -8.733 4.791 -0.971 1.00 0.00 H +ATOM 11 H3 ASN A 1 -9.999 3.760 -0.843 1.00 0.00 H +ATOM 12 HA ASN A 1 -8.800 1.972 -1.795 1.00 0.00 H +ATOM 13 HB2 ASN A 1 -8.975 4.504 -3.404 1.00 0.00 H +ATOM 14 HB3 ASN A 1 -8.543 2.956 -4.125 1.00 0.00 H +ATOM 15 HD21 ASN A 1 -10.234 1.458 -4.583 1.00 0.00 H +ATOM 16 HD22 ASN A 1 -11.851 1.711 -3.928 1.00 0.00 H +ATOM 17 N LEU A 2 -6.201 3.988 -2.170 1.00 0.00 N +ATOM 18 CA LEU A 2 -4.729 4.023 -2.199 1.00 0.00 C +ATOM 19 C LEU A 2 -4.037 3.168 -1.116 1.00 0.00 C +ATOM 20 O LEU A 2 -3.314 2.226 -1.445 1.00 0.00 O +ATOM 21 CB LEU A 2 -4.249 5.491 -2.208 1.00 0.00 C +ATOM 22 CG LEU A 2 -4.830 6.411 -1.102 1.00 0.00 C +ATOM 23 CD1 LEU A 2 -3.744 6.981 -0.191 1.00 0.00 C +ATOM 24 CD2 LEU A 2 -5.610 7.577 -1.716 1.00 0.00 C +ATOM 25 H LEU A 2 -6.656 4.854 -2.419 1.00 0.00 H +ATOM 26 HA LEU A 2 -4.416 3.587 -3.149 1.00 0.00 H +ATOM 27 HB2 LEU A 2 -3.181 5.487 -2.102 1.00 0.00 H +ATOM 28 HB3 LEU A 2 -4.495 5.911 -3.186 1.00 0.00 H +ATOM 29 HG LEU A 2 -5.519 5.848 -0.473 1.00 0.00 H +ATOM 30 HD11 LEU A 2 -3.233 6.180 0.339 1.00 0.00 H +ATOM 31 HD12 LEU A 2 -3.013 7.542 -0.773 1.00 0.00 H +ATOM 32 HD13 LEU A 2 -4.187 7.648 0.549 1.00 0.00 H +ATOM 33 HD21 LEU A 2 -4.940 8.203 -2.305 1.00 0.00 H +ATOM 34 HD22 LEU A 2 -6.406 7.203 -2.358 1.00 0.00 H +ATOM 35 HD23 LEU A 2 -6.050 8.182 -0.924 1.00 0.00 H +ATOM 36 N TYR A 3 -4.276 3.462 0.168 1.00 0.00 N +ATOM 37 CA TYR A 3 -3.662 2.734 1.282 1.00 0.00 C +ATOM 38 C TYR A 3 -4.055 1.248 1.304 1.00 0.00 C +ATOM 39 O TYR A 3 -3.199 0.393 1.521 1.00 0.00 O +ATOM 40 CB TYR A 3 -4.017 3.443 2.599 1.00 0.00 C +ATOM 41 CG TYR A 3 -3.241 2.974 3.819 1.00 0.00 C +ATOM 42 CD1 TYR A 3 -1.832 2.899 3.785 1.00 0.00 C +ATOM 43 CD2 TYR A 3 -3.928 2.662 5.010 1.00 0.00 C +ATOM 44 CE1 TYR A 3 -1.115 2.469 4.918 1.00 0.00 C +ATOM 45 CE2 TYR A 3 -3.214 2.261 6.153 1.00 0.00 C +ATOM 46 CZ TYR A 3 -1.810 2.142 6.104 1.00 0.00 C +ATOM 47 OH TYR A 3 -1.150 1.670 7.197 1.00 0.00 O +ATOM 48 H TYR A 3 -4.837 4.272 0.378 1.00 0.00 H +ATOM 49 HA TYR A 3 -2.581 2.779 1.145 1.00 0.00 H +ATOM 50 HB2 TYR A 3 -3.831 4.492 2.471 1.00 0.00 H +ATOM 51 HB3 TYR A 3 -5.087 3.318 2.784 1.00 0.00 H +ATOM 52 HD1 TYR A 3 -1.288 3.179 2.895 1.00 0.00 H +ATOM 53 HD2 TYR A 3 -5.005 2.735 5.060 1.00 0.00 H +ATOM 54 HE1 TYR A 3 -0.037 2.418 4.887 1.00 0.00 H +ATOM 55 HE2 TYR A 3 -3.725 2.015 7.071 1.00 0.00 H +ATOM 56 HH TYR A 3 -0.473 1.035 6.968 1.00 0.00 H +ATOM 57 N ILE A 4 -5.324 0.935 1.003 1.00 0.00 N +ATOM 58 CA ILE A 4 -5.835 -0.433 0.848 1.00 0.00 C +ATOM 59 C ILE A 4 -5.070 -1.165 -0.259 1.00 0.00 C +ATOM 60 O ILE A 4 -4.556 -2.249 -0.010 1.00 0.00 O +ATOM 61 CB ILE A 4 -7.373 -0.454 0.628 1.00 0.00 C +ATOM 62 CG1 ILE A 4 -8.119 0.069 1.882 1.00 0.00 C +ATOM 63 CG2 ILE A 4 -7.865 -1.878 0.304 1.00 0.00 C +ATOM 64 CD1 ILE A 4 -8.406 1.577 1.860 1.00 0.00 C +ATOM 65 H ILE A 4 -5.933 1.699 0.766 1.00 0.00 H +ATOM 66 HA ILE A 4 -5.626 -0.976 1.772 1.00 0.00 H +ATOM 67 HB ILE A 4 -7.639 0.170 -0.222 1.00 0.00 H +ATOM 68 HG12 ILE A 4 -9.055 -0.451 1.958 1.00 0.00 H +ATOM 69 HG13 ILE A 4 -7.537 -0.172 2.773 1.00 0.00 H +ATOM 70 HG21 ILE A 4 -7.467 -2.211 -0.654 1.00 0.00 H +ATOM 71 HG22 ILE A 4 -7.552 -2.574 1.084 1.00 0.00 H +ATOM 72 HG23 ILE A 4 -8.953 -1.892 0.229 1.00 0.00 H +ATOM 73 HD11 ILE A 4 -7.613 2.129 1.361 1.00 0.00 H +ATOM 74 HD12 ILE A 4 -9.347 1.759 1.338 1.00 0.00 H +ATOM 75 HD13 ILE A 4 -8.496 1.941 2.884 1.00 0.00 H +ATOM 76 N GLN A 5 -4.953 -0.577 -1.456 1.00 0.00 N +ATOM 77 CA GLN A 5 -4.193 -1.137 -2.578 1.00 0.00 C +ATOM 78 C GLN A 5 -2.737 -1.444 -2.205 1.00 0.00 C +ATOM 79 O GLN A 5 -2.269 -2.544 -2.502 1.00 0.00 O +ATOM 80 CB GLN A 5 -4.275 -0.188 -3.786 1.00 0.00 C +ATOM 81 CG GLN A 5 -5.565 -0.416 -4.589 1.00 0.00 C +ATOM 82 CD GLN A 5 -5.973 0.808 -5.398 1.00 0.00 C +ATOM 83 OE1 GLN A 5 -7.023 1.388 -5.178 1.00 0.00 O +ATOM 84 NE2 GLN A 5 -5.173 1.247 -6.352 1.00 0.00 N +ATOM 85 H GLN A 5 -5.394 0.332 -1.576 1.00 0.00 H +ATOM 86 HA GLN A 5 -4.644 -2.090 -2.855 1.00 0.00 H +ATOM 87 HB2 GLN A 5 -4.256 0.826 -3.436 1.00 0.00 H +ATOM 88 HB3 GLN A 5 -3.423 -0.354 -4.446 1.00 0.00 H +ATOM 89 HG2 GLN A 5 -5.411 -1.237 -5.262 1.00 0.00 H +ATOM 90 HG3 GLN A 5 -6.383 -0.657 -3.908 1.00 0.00 H +ATOM 91 HE21 GLN A 5 -4.298 0.808 -6.577 1.00 0.00 H +ATOM 92 HE22 GLN A 5 -5.526 2.044 -6.855 1.00 0.00 H +ATOM 93 N TRP A 6 -2.045 -0.512 -1.537 1.00 0.00 N +ATOM 94 CA TRP A 6 -0.676 -0.717 -1.051 1.00 0.00 C +ATOM 95 C TRP A 6 -0.574 -1.823 0.011 1.00 0.00 C +ATOM 96 O TRP A 6 0.277 -2.708 -0.097 1.00 0.00 O +ATOM 97 CB TRP A 6 -0.129 0.610 -0.523 1.00 0.00 C +ATOM 98 CG TRP A 6 1.281 0.547 -0.017 1.00 0.00 C +ATOM 99 CD1 TRP A 6 2.388 0.529 -0.785 1.00 0.00 C +ATOM 100 CD2 TRP A 6 1.751 0.483 1.369 1.00 0.00 C +ATOM 101 NE1 TRP A 6 3.510 0.450 0.021 1.00 0.00 N +ATOM 102 CE2 TRP A 6 3.175 0.431 1.351 1.00 0.00 C +ATOM 103 CE3 TRP A 6 1.129 0.466 2.636 1.00 0.00 C +ATOM 104 CZ2 TRP A 6 3.949 0.390 2.518 1.00 0.00 C +ATOM 105 CZ3 TRP A 6 1.894 0.408 3.818 1.00 0.00 C +ATOM 106 CH2 TRP A 6 3.300 0.384 3.763 1.00 0.00 C +ATOM 107 H TRP A 6 -2.501 0.381 -1.357 1.00 0.00 H +ATOM 108 HA TRP A 6 -0.053 -1.031 -1.891 1.00 0.00 H +ATOM 109 HB2 TRP A 6 -0.167 1.328 -1.319 1.00 0.00 H +ATOM 110 HB3 TRP A 6 -0.772 0.969 0.281 1.00 0.00 H +ATOM 111 HD1 TRP A 6 2.399 0.570 -1.868 1.00 0.00 H +ATOM 112 HE1 TRP A 6 4.480 0.455 -0.290 1.00 0.00 H +ATOM 113 HE3 TRP A 6 0.051 0.501 2.690 1.00 0.00 H +ATOM 114 HZ2 TRP A 6 5.027 0.361 2.446 1.00 0.00 H +ATOM 115 HZ3 TRP A 6 1.403 0.391 4.779 1.00 0.00 H +ATOM 116 HH2 TRP A 6 3.881 0.356 4.673 1.00 0.00 H +ATOM 117 N LEU A 7 -1.457 -1.813 1.020 1.00 0.00 N +ATOM 118 CA LEU A 7 -1.515 -2.880 2.022 1.00 0.00 C +ATOM 119 C LEU A 7 -1.825 -4.246 1.392 1.00 0.00 C +ATOM 120 O LEU A 7 -1.201 -5.233 1.781 1.00 0.00 O +ATOM 121 CB LEU A 7 -2.540 -2.533 3.116 1.00 0.00 C +ATOM 122 CG LEU A 7 -2.096 -1.425 4.093 1.00 0.00 C +ATOM 123 CD1 LEU A 7 -3.250 -1.130 5.052 1.00 0.00 C +ATOM 124 CD2 LEU A 7 -0.870 -1.826 4.923 1.00 0.00 C +ATOM 125 H LEU A 7 -2.129 -1.050 1.079 1.00 0.00 H +ATOM 126 HA LEU A 7 -0.530 -2.978 2.476 1.00 0.00 H +ATOM 127 HB2 LEU A 7 -3.444 -2.212 2.636 1.00 0.00 H +ATOM 128 HB3 LEU A 7 -2.739 -3.435 3.698 1.00 0.00 H +ATOM 129 HG LEU A 7 -1.858 -0.515 3.546 1.00 0.00 H +ATOM 130 HD11 LEU A 7 -4.089 -0.709 4.497 1.00 0.00 H +ATOM 131 HD12 LEU A 7 -3.566 -2.044 5.557 1.00 0.00 H +ATOM 132 HD13 LEU A 7 -2.934 -0.410 5.803 1.00 0.00 H +ATOM 133 HD21 LEU A 7 -1.062 -2.759 5.451 1.00 0.00 H +ATOM 134 HD22 LEU A 7 0.000 -1.946 4.281 1.00 0.00 H +ATOM 135 HD23 LEU A 7 -0.647 -1.045 5.648 1.00 0.00 H +ATOM 136 N LYS A 8 -2.718 -4.307 0.394 1.00 0.00 N +ATOM 137 CA LYS A 8 -3.085 -5.532 -0.333 1.00 0.00 C +ATOM 138 C LYS A 8 -1.882 -6.223 -0.984 1.00 0.00 C +ATOM 139 O LYS A 8 -1.848 -7.448 -1.047 1.00 0.00 O +ATOM 140 CB LYS A 8 -4.149 -5.208 -1.398 1.00 0.00 C +ATOM 141 CG LYS A 8 -4.972 -6.445 -1.780 1.00 0.00 C +ATOM 142 CD LYS A 8 -5.913 -6.206 -2.971 1.00 0.00 C +ATOM 143 CE LYS A 8 -5.170 -6.233 -4.317 1.00 0.00 C +ATOM 144 NZ LYS A 8 -4.735 -4.890 -4.767 1.00 0.00 N +ATOM 145 H LYS A 8 -3.216 -3.446 0.170 1.00 0.00 H +ATOM 146 HA LYS A 8 -3.506 -6.236 0.387 1.00 0.00 H +ATOM 147 HB2 LYS A 8 -4.811 -4.457 -1.010 1.00 0.00 H +ATOM 148 HB3 LYS A 8 -3.649 -4.799 -2.275 1.00 0.00 H +ATOM 149 HG2 LYS A 8 -4.296 -7.239 -2.034 1.00 0.00 H +ATOM 150 HG3 LYS A 8 -5.577 -6.724 -0.915 1.00 0.00 H +ATOM 151 HD2 LYS A 8 -6.664 -6.972 -2.976 1.00 0.00 H +ATOM 152 HD3 LYS A 8 -6.467 -5.274 -2.843 1.00 0.00 H +ATOM 153 HE2 LYS A 8 -4.303 -6.857 -4.216 1.00 0.00 H +ATOM 154 HE3 LYS A 8 -5.841 -6.664 -5.066 1.00 0.00 H +ATOM 155 HZ1 LYS A 8 -5.540 -4.295 -4.905 1.00 0.00 H +ATOM 156 HZ2 LYS A 8 -4.116 -4.470 -4.084 1.00 0.00 H +ATOM 157 HZ3 LYS A 8 -4.232 -4.964 -5.642 1.00 0.00 H +ATOM 158 N ASP A 9 -0.902 -5.444 -1.456 1.00 0.00 N +ATOM 159 CA ASP A 9 0.348 -5.945 -2.038 1.00 0.00 C +ATOM 160 C ASP A 9 1.310 -6.525 -0.977 1.00 0.00 C +ATOM 161 O ASP A 9 2.208 -7.294 -1.310 1.00 0.00 O +ATOM 162 CB ASP A 9 1.013 -4.797 -2.817 1.00 0.00 C +ATOM 163 CG ASP A 9 1.703 -5.285 -4.093 1.00 0.00 C +ATOM 164 OD1 ASP A 9 0.950 -5.620 -5.038 1.00 0.00 O +ATOM 165 OD2 ASP A 9 2.951 -5.273 -4.135 1.00 0.00 O +ATOM 166 H ASP A 9 -1.024 -4.442 -1.395 1.00 0.00 H +ATOM 167 HA ASP A 9 0.107 -6.748 -2.738 1.00 0.00 H +ATOM 168 HB2 ASP A 9 0.261 -4.080 -3.084 1.00 0.00 H +ATOM 169 HB3 ASP A 9 1.722 -4.274 -2.176 1.00 0.00 H +ATOM 170 N GLY A 10 1.095 -6.194 0.306 1.00 0.00 N +ATOM 171 CA GLY A 10 1.925 -6.595 1.444 1.00 0.00 C +ATOM 172 C GLY A 10 2.500 -5.422 2.247 1.00 0.00 C +ATOM 173 O GLY A 10 3.312 -5.648 3.146 1.00 0.00 O +ATOM 174 H GLY A 10 0.256 -5.661 0.510 1.00 0.00 H +ATOM 175 HA2 GLY A 10 1.317 -7.196 2.118 1.00 0.00 H +ATOM 176 HA3 GLY A 10 2.758 -7.207 1.101 1.00 0.00 H +ATOM 177 N GLY A 11 2.118 -4.173 1.938 1.00 0.00 N +ATOM 178 CA GLY A 11 2.643 -2.980 2.600 1.00 0.00 C +ATOM 179 C GLY A 11 4.177 -2.920 2.520 1.00 0.00 C +ATOM 180 O GLY A 11 4.704 -2.996 1.404 1.00 0.00 O +ATOM 181 H GLY A 11 1.494 -4.036 1.148 1.00 0.00 H +ATOM 182 HA2 GLY A 11 2.239 -2.102 2.100 1.00 0.00 H +ATOM 183 HA3 GLY A 11 2.298 -2.976 3.632 1.00 0.00 H +ATOM 184 N PRO A 12 4.917 -2.819 3.647 1.00 0.00 N +ATOM 185 CA PRO A 12 6.382 -2.799 3.646 1.00 0.00 C +ATOM 186 C PRO A 12 7.030 -4.001 2.943 1.00 0.00 C +ATOM 187 O PRO A 12 8.063 -3.835 2.294 1.00 0.00 O +ATOM 188 CB PRO A 12 6.809 -2.746 5.118 1.00 0.00 C +ATOM 189 CG PRO A 12 5.582 -2.203 5.844 1.00 0.00 C +ATOM 190 CD PRO A 12 4.419 -2.739 5.012 1.00 0.00 C +ATOM 191 HA PRO A 12 6.713 -1.886 3.148 1.00 0.00 H +ATOM 192 HB2 PRO A 12 7.061 -3.725 5.477 1.00 0.00 H +ATOM 193 HB3 PRO A 12 7.675 -2.096 5.258 1.00 0.00 H +ATOM 194 HG2 PRO A 12 5.537 -2.571 6.851 1.00 0.00 H +ATOM 195 HG3 PRO A 12 5.587 -1.112 5.807 1.00 0.00 H +ATOM 196 HD2 PRO A 12 4.125 -3.710 5.361 1.00 0.00 H +ATOM 197 HD3 PRO A 12 3.565 -2.068 5.100 1.00 0.00 H +ATOM 198 N SER A 13 6.415 -5.193 3.014 1.00 0.00 N +ATOM 199 CA SER A 13 6.932 -6.420 2.383 1.00 0.00 C +ATOM 200 C SER A 13 7.055 -6.302 0.860 1.00 0.00 C +ATOM 201 O SER A 13 7.865 -6.999 0.255 1.00 0.00 O +ATOM 202 CB SER A 13 6.032 -7.613 2.710 1.00 0.00 C +ATOM 203 OG SER A 13 5.997 -7.832 4.106 1.00 0.00 O +ATOM 204 H SER A 13 5.544 -5.278 3.527 1.00 0.00 H +ATOM 205 HA SER A 13 7.927 -6.625 2.782 1.00 0.00 H +ATOM 206 HB2 SER A 13 5.038 -7.414 2.358 1.00 0.00 H +ATOM 207 HB3 SER A 13 6.424 -8.504 2.218 1.00 0.00 H +ATOM 208 HG SER A 13 5.429 -8.585 4.283 1.00 0.00 H +ATOM 209 N SER A 14 6.287 -5.390 0.254 1.00 0.00 N +ATOM 210 CA SER A 14 6.322 -5.050 -1.172 1.00 0.00 C +ATOM 211 C SER A 14 7.593 -4.289 -1.582 1.00 0.00 C +ATOM 212 O SER A 14 7.834 -4.108 -2.773 1.00 0.00 O +ATOM 213 CB SER A 14 5.101 -4.192 -1.567 1.00 0.00 C +ATOM 214 OG SER A 14 4.017 -4.292 -0.662 1.00 0.00 O +ATOM 215 H SER A 14 5.633 -4.881 0.831 1.00 0.00 H +ATOM 216 HA SER A 14 6.280 -5.977 -1.745 1.00 0.00 H +ATOM 217 HB2 SER A 14 5.409 -3.165 -1.614 1.00 0.00 H +ATOM 218 HB3 SER A 14 4.775 -4.489 -2.563 1.00 0.00 H +ATOM 219 HG SER A 14 4.222 -3.726 0.121 1.00 0.00 H +ATOM 220 N GLY A 15 8.386 -3.785 -0.622 1.00 0.00 N +ATOM 221 CA GLY A 15 9.603 -3.011 -0.885 1.00 0.00 C +ATOM 222 C GLY A 15 9.362 -1.593 -1.427 1.00 0.00 C +ATOM 223 O GLY A 15 10.306 -0.952 -1.881 1.00 0.00 O +ATOM 224 H GLY A 15 8.154 -3.973 0.353 1.00 0.00 H +ATOM 225 HA2 GLY A 15 10.169 -2.923 0.042 1.00 0.00 H +ATOM 226 HA3 GLY A 15 10.220 -3.549 -1.606 1.00 0.00 H +ATOM 227 N ARG A 16 8.117 -1.096 -1.381 1.00 0.00 N +ATOM 228 CA ARG A 16 7.691 0.212 -1.899 1.00 0.00 C +ATOM 229 C ARG A 16 7.091 1.060 -0.764 1.00 0.00 C +ATOM 230 O ARG A 16 6.300 0.516 0.009 1.00 0.00 O +ATOM 231 CB ARG A 16 6.671 -0.025 -3.030 1.00 0.00 C +ATOM 232 CG ARG A 16 6.236 1.275 -3.721 1.00 0.00 C +ATOM 233 CD ARG A 16 5.149 1.034 -4.770 1.00 0.00 C +ATOM 234 NE ARG A 16 4.730 2.310 -5.382 1.00 0.00 N +ATOM 235 CZ ARG A 16 3.684 2.515 -6.172 1.00 0.00 C +ATOM 236 NH1 ARG A 16 2.874 1.539 -6.511 1.00 0.00 N +ATOM 237 NH2 ARG A 16 3.433 3.717 -6.637 1.00 0.00 N +ATOM 238 H ARG A 16 7.418 -1.684 -0.950 1.00 0.00 H +ATOM 239 HA ARG A 16 8.564 0.718 -2.312 1.00 0.00 H +ATOM 240 HB2 ARG A 16 7.115 -0.671 -3.763 1.00 0.00 H +ATOM 241 HB3 ARG A 16 5.791 -0.523 -2.617 1.00 0.00 H +ATOM 242 HG2 ARG A 16 5.857 1.951 -2.979 1.00 0.00 H +ATOM 243 HG3 ARG A 16 7.100 1.731 -4.204 1.00 0.00 H +ATOM 244 HD2 ARG A 16 5.533 0.385 -5.534 1.00 0.00 H +ATOM 245 HD3 ARG A 16 4.293 0.562 -4.283 1.00 0.00 H +ATOM 246 HE ARG A 16 5.293 3.114 -5.162 1.00 0.00 H +ATOM 247 HH11 ARG A 16 3.073 0.618 -6.161 1.00 0.00 H +ATOM 248 HH12 ARG A 16 2.086 1.696 -7.110 1.00 0.00 H +ATOM 249 HH21 ARG A 16 4.029 4.490 -6.397 1.00 0.00 H +ATOM 250 HH22 ARG A 16 2.642 3.867 -7.235 1.00 0.00 H +ATOM 251 N PRO A 17 7.386 2.375 -0.671 1.00 0.00 N +ATOM 252 CA PRO A 17 6.796 3.253 0.346 1.00 0.00 C +ATOM 253 C PRO A 17 5.267 3.389 0.203 1.00 0.00 C +ATOM 254 O PRO A 17 4.733 3.160 -0.887 1.00 0.00 O +ATOM 255 CB PRO A 17 7.495 4.609 0.170 1.00 0.00 C +ATOM 256 CG PRO A 17 7.932 4.600 -1.293 1.00 0.00 C +ATOM 257 CD PRO A 17 8.291 3.135 -1.522 1.00 0.00 C +ATOM 258 HA PRO A 17 7.029 2.854 1.334 1.00 0.00 H +ATOM 259 HB2 PRO A 17 6.817 5.418 0.362 1.00 0.00 H +ATOM 260 HB3 PRO A 17 8.375 4.651 0.813 1.00 0.00 H +ATOM 261 HG2 PRO A 17 7.132 4.909 -1.938 1.00 0.00 H +ATOM 262 HG3 PRO A 17 8.783 5.259 -1.469 1.00 0.00 H +ATOM 263 HD2 PRO A 17 8.148 2.870 -2.552 1.00 0.00 H +ATOM 264 HD3 PRO A 17 9.319 2.954 -1.207 1.00 0.00 H +ATOM 265 N PRO A 18 4.555 3.783 1.280 1.00 0.00 N +ATOM 266 CA PRO A 18 3.107 3.955 1.251 1.00 0.00 C +ATOM 267 C PRO A 18 2.677 5.165 0.399 1.00 0.00 C +ATOM 268 O PRO A 18 3.440 6.118 0.240 1.00 0.00 O +ATOM 269 CB PRO A 18 2.682 4.114 2.714 1.00 0.00 C +ATOM 270 CG PRO A 18 3.920 4.702 3.385 1.00 0.00 C +ATOM 271 CD PRO A 18 5.071 4.058 2.612 1.00 0.00 C +ATOM 272 HA PRO A 18 2.660 3.050 0.846 1.00 0.00 H +ATOM 273 HB2 PRO A 18 1.846 4.781 2.800 1.00 0.00 H +ATOM 274 HB3 PRO A 18 2.472 3.133 3.140 1.00 0.00 H +ATOM 275 HG2 PRO A 18 3.940 5.770 3.288 1.00 0.00 H +ATOM 276 HG3 PRO A 18 3.960 4.460 4.446 1.00 0.00 H +ATOM 277 HD2 PRO A 18 5.906 4.730 2.557 1.00 0.00 H +ATOM 278 HD3 PRO A 18 5.353 3.118 3.092 1.00 0.00 H +ATOM 279 N PRO A 19 1.446 5.145 -0.145 1.00 0.00 N +ATOM 280 CA PRO A 19 0.886 6.247 -0.912 1.00 0.00 C +ATOM 281 C PRO A 19 0.347 7.353 0.009 1.00 0.00 C +ATOM 282 O PRO A 19 -0.657 7.156 0.691 1.00 0.00 O +ATOM 283 CB PRO A 19 -0.216 5.613 -1.764 1.00 0.00 C +ATOM 284 CG PRO A 19 -0.713 4.453 -0.902 1.00 0.00 C +ATOM 285 CD PRO A 19 0.539 4.007 -0.154 1.00 0.00 C +ATOM 286 HA PRO A 19 1.645 6.666 -1.575 1.00 0.00 H +ATOM 287 HB2 PRO A 19 -1.005 6.315 -1.954 1.00 0.00 H +ATOM 288 HB3 PRO A 19 0.222 5.216 -2.681 1.00 0.00 H +ATOM 289 HG2 PRO A 19 -1.473 4.780 -0.218 1.00 0.00 H +ATOM 290 HG3 PRO A 19 -1.118 3.650 -1.516 1.00 0.00 H +ATOM 291 HD2 PRO A 19 0.289 3.725 0.851 1.00 0.00 H +ATOM 292 HD3 PRO A 19 1.012 3.193 -0.700 1.00 0.00 H +ATOM 293 N SER A 20 0.994 8.526 -0.049 1.00 0.00 N +ATOM 294 CA SER A 20 0.653 9.774 0.659 1.00 0.00 C +ATOM 295 C SER A 20 0.918 9.764 2.177 1.00 0.00 C +ATOM 296 O SER A 20 0.442 10.754 2.789 1.00 0.00 O +ATOM 297 CB SER A 20 -0.786 10.208 0.336 1.00 0.00 C +ATOM 298 OG SER A 20 -0.959 11.455 0.965 1.00 0.00 O +ATOM 299 OXT SER A 20 1.603 8.846 2.675 1.00 0.00 O +ATOM 300 H SER A 20 1.867 8.518 -0.553 1.00 0.00 H +ATOM 301 HA SER A 20 1.307 10.553 0.271 1.00 0.00 H +ATOM 302 HB2 SER A 20 -0.919 10.302 -0.725 1.00 0.00 H +ATOM 303 HB3 SER A 20 -1.495 9.494 0.758 1.00 0.00 H +ATOM 304 HG SER A 20 -0.420 11.315 1.824 1.00 0.00 H +TER 305 SER A 20 +ENDMDL +MODEL 17 +ATOM 1 N ASN A 1 -8.598 5.262 -0.292 1.00 0.00 N +ATOM 2 CA ASN A 1 -8.658 3.999 -1.068 1.00 0.00 C +ATOM 3 C ASN A 1 -7.282 3.479 -1.479 1.00 0.00 C +ATOM 4 O ASN A 1 -7.038 2.293 -1.290 1.00 0.00 O +ATOM 5 CB ASN A 1 -9.633 4.090 -2.256 1.00 0.00 C +ATOM 6 CG ASN A 1 -11.034 3.705 -1.797 1.00 0.00 C +ATOM 7 OD1 ASN A 1 -11.203 2.706 -1.121 1.00 0.00 O +ATOM 8 ND2 ASN A 1 -12.056 4.485 -2.091 1.00 0.00 N +ATOM 9 H1 ASN A 1 -7.871 5.210 0.409 1.00 0.00 H +ATOM 10 H2 ASN A 1 -8.409 6.043 -0.906 1.00 0.00 H +ATOM 11 H3 ASN A 1 -9.483 5.425 0.171 1.00 0.00 H +ATOM 12 HA ASN A 1 -9.048 3.224 -0.405 1.00 0.00 H +ATOM 13 HB2 ASN A 1 -9.644 5.095 -2.633 1.00 0.00 H +ATOM 14 HB3 ASN A 1 -9.339 3.378 -3.028 1.00 0.00 H +ATOM 15 HD21 ASN A 1 -11.996 5.318 -2.653 1.00 0.00 H +ATOM 16 HD22 ASN A 1 -12.946 4.132 -1.770 1.00 0.00 H +ATOM 17 N LEU A 2 -6.367 4.322 -1.982 1.00 0.00 N +ATOM 18 CA LEU A 2 -5.025 3.900 -2.419 1.00 0.00 C +ATOM 19 C LEU A 2 -4.243 3.096 -1.364 1.00 0.00 C +ATOM 20 O LEU A 2 -3.570 2.120 -1.698 1.00 0.00 O +ATOM 21 CB LEU A 2 -4.224 5.145 -2.840 1.00 0.00 C +ATOM 22 CG LEU A 2 -4.672 5.767 -4.178 1.00 0.00 C +ATOM 23 CD1 LEU A 2 -3.897 7.063 -4.418 1.00 0.00 C +ATOM 24 CD2 LEU A 2 -4.426 4.814 -5.354 1.00 0.00 C +ATOM 25 H LEU A 2 -6.595 5.288 -2.162 1.00 0.00 H +ATOM 26 HA LEU A 2 -5.133 3.236 -3.278 1.00 0.00 H +ATOM 27 HB2 LEU A 2 -4.329 5.887 -2.073 1.00 0.00 H +ATOM 28 HB3 LEU A 2 -3.170 4.876 -2.925 1.00 0.00 H +ATOM 29 HG LEU A 2 -5.734 6.008 -4.131 1.00 0.00 H +ATOM 30 HD11 LEU A 2 -4.056 7.754 -3.588 1.00 0.00 H +ATOM 31 HD12 LEU A 2 -2.832 6.853 -4.509 1.00 0.00 H +ATOM 32 HD13 LEU A 2 -4.248 7.538 -5.334 1.00 0.00 H +ATOM 33 HD21 LEU A 2 -3.421 4.393 -5.292 1.00 0.00 H +ATOM 34 HD22 LEU A 2 -5.156 4.005 -5.345 1.00 0.00 H +ATOM 35 HD23 LEU A 2 -4.526 5.349 -6.297 1.00 0.00 H +ATOM 36 N TYR A 3 -4.383 3.462 -0.084 1.00 0.00 N +ATOM 37 CA TYR A 3 -3.757 2.758 1.034 1.00 0.00 C +ATOM 38 C TYR A 3 -4.175 1.279 1.120 1.00 0.00 C +ATOM 39 O TYR A 3 -3.350 0.425 1.441 1.00 0.00 O +ATOM 40 CB TYR A 3 -4.083 3.494 2.342 1.00 0.00 C +ATOM 41 CG TYR A 3 -3.021 3.296 3.403 1.00 0.00 C +ATOM 42 CD1 TYR A 3 -1.860 4.092 3.363 1.00 0.00 C +ATOM 43 CD2 TYR A 3 -3.175 2.317 4.405 1.00 0.00 C +ATOM 44 CE1 TYR A 3 -0.846 3.906 4.317 1.00 0.00 C +ATOM 45 CE2 TYR A 3 -2.162 2.132 5.366 1.00 0.00 C +ATOM 46 CZ TYR A 3 -0.992 2.923 5.318 1.00 0.00 C +ATOM 47 OH TYR A 3 0.011 2.729 6.217 1.00 0.00 O +ATOM 48 H TYR A 3 -4.910 4.298 0.109 1.00 0.00 H +ATOM 49 HA TYR A 3 -2.678 2.791 0.884 1.00 0.00 H +ATOM 50 HB2 TYR A 3 -4.169 4.543 2.134 1.00 0.00 H +ATOM 51 HB3 TYR A 3 -5.054 3.166 2.719 1.00 0.00 H +ATOM 52 HD1 TYR A 3 -1.741 4.850 2.600 1.00 0.00 H +ATOM 53 HD2 TYR A 3 -4.067 1.705 4.436 1.00 0.00 H +ATOM 54 HE1 TYR A 3 0.050 4.506 4.296 1.00 0.00 H +ATOM 55 HE2 TYR A 3 -2.281 1.396 6.145 1.00 0.00 H +ATOM 56 HH TYR A 3 -0.092 1.913 6.709 1.00 0.00 H +ATOM 57 N ILE A 4 -5.434 0.963 0.782 1.00 0.00 N +ATOM 58 CA ILE A 4 -5.959 -0.407 0.754 1.00 0.00 C +ATOM 59 C ILE A 4 -5.234 -1.224 -0.323 1.00 0.00 C +ATOM 60 O ILE A 4 -4.791 -2.341 -0.056 1.00 0.00 O +ATOM 61 CB ILE A 4 -7.489 -0.415 0.505 1.00 0.00 C +ATOM 62 CG1 ILE A 4 -8.287 0.574 1.386 1.00 0.00 C +ATOM 63 CG2 ILE A 4 -8.084 -1.834 0.645 1.00 0.00 C +ATOM 64 CD1 ILE A 4 -7.998 0.474 2.893 1.00 0.00 C +ATOM 65 H ILE A 4 -6.027 1.699 0.419 1.00 0.00 H +ATOM 66 HA ILE A 4 -5.758 -0.874 1.720 1.00 0.00 H +ATOM 67 HB ILE A 4 -7.652 -0.114 -0.531 1.00 0.00 H +ATOM 68 HG12 ILE A 4 -8.051 1.571 1.066 1.00 0.00 H +ATOM 69 HG13 ILE A 4 -9.351 0.403 1.219 1.00 0.00 H +ATOM 70 HG21 ILE A 4 -7.310 -2.600 0.624 1.00 0.00 H +ATOM 71 HG22 ILE A 4 -8.633 -1.940 1.582 1.00 0.00 H +ATOM 72 HG23 ILE A 4 -8.777 -2.015 -0.176 1.00 0.00 H +ATOM 73 HD11 ILE A 4 -7.679 -0.532 3.164 1.00 0.00 H +ATOM 74 HD12 ILE A 4 -7.214 1.179 3.165 1.00 0.00 H +ATOM 75 HD13 ILE A 4 -8.902 0.718 3.451 1.00 0.00 H +ATOM 76 N GLN A 5 -5.082 -0.658 -1.529 1.00 0.00 N +ATOM 77 CA GLN A 5 -4.322 -1.281 -2.612 1.00 0.00 C +ATOM 78 C GLN A 5 -2.862 -1.527 -2.213 1.00 0.00 C +ATOM 79 O GLN A 5 -2.351 -2.625 -2.425 1.00 0.00 O +ATOM 80 CB GLN A 5 -4.396 -0.435 -3.898 1.00 0.00 C +ATOM 81 CG GLN A 5 -5.293 -1.073 -4.971 1.00 0.00 C +ATOM 82 CD GLN A 5 -4.805 -0.728 -6.375 1.00 0.00 C +ATOM 83 OE1 GLN A 5 -4.736 0.424 -6.768 1.00 0.00 O +ATOM 84 NE2 GLN A 5 -4.436 -1.716 -7.169 1.00 0.00 N +ATOM 85 H GLN A 5 -5.436 0.282 -1.657 1.00 0.00 H +ATOM 86 HA GLN A 5 -4.757 -2.263 -2.799 1.00 0.00 H +ATOM 87 HB2 GLN A 5 -4.789 0.532 -3.651 1.00 0.00 H +ATOM 88 HB3 GLN A 5 -3.390 -0.336 -4.310 1.00 0.00 H +ATOM 89 HG2 GLN A 5 -5.281 -2.139 -4.848 1.00 0.00 H +ATOM 90 HG3 GLN A 5 -6.316 -0.718 -4.849 1.00 0.00 H +ATOM 91 HE21 GLN A 5 -4.461 -2.680 -6.883 1.00 0.00 H +ATOM 92 HE22 GLN A 5 -4.101 -1.424 -8.072 1.00 0.00 H +ATOM 93 N TRP A 6 -2.207 -0.530 -1.604 1.00 0.00 N +ATOM 94 CA TRP A 6 -0.837 -0.672 -1.104 1.00 0.00 C +ATOM 95 C TRP A 6 -0.705 -1.777 -0.043 1.00 0.00 C +ATOM 96 O TRP A 6 0.217 -2.593 -0.114 1.00 0.00 O +ATOM 97 CB TRP A 6 -0.347 0.675 -0.564 1.00 0.00 C +ATOM 98 CG TRP A 6 1.007 0.616 0.072 1.00 0.00 C +ATOM 99 CD1 TRP A 6 2.190 0.555 -0.580 1.00 0.00 C +ATOM 100 CD2 TRP A 6 1.332 0.576 1.493 1.00 0.00 C +ATOM 101 NE1 TRP A 6 3.222 0.465 0.337 1.00 0.00 N +ATOM 102 CE2 TRP A 6 2.749 0.489 1.629 1.00 0.00 C +ATOM 103 CE3 TRP A 6 0.572 0.607 2.680 1.00 0.00 C +ATOM 104 CZ2 TRP A 6 3.387 0.464 2.876 1.00 0.00 C +ATOM 105 CZ3 TRP A 6 1.201 0.554 3.937 1.00 0.00 C +ATOM 106 CH2 TRP A 6 2.602 0.496 4.040 1.00 0.00 C +ATOM 107 H TRP A 6 -2.687 0.361 -1.494 1.00 0.00 H +ATOM 108 HA TRP A 6 -0.192 -0.960 -1.936 1.00 0.00 H +ATOM 109 HB2 TRP A 6 -0.308 1.372 -1.379 1.00 0.00 H +ATOM 110 HB3 TRP A 6 -1.057 1.038 0.178 1.00 0.00 H +ATOM 111 HD1 TRP A 6 2.302 0.568 -1.656 1.00 0.00 H +ATOM 112 HE1 TRP A 6 4.213 0.428 0.099 1.00 0.00 H +ATOM 113 HE3 TRP A 6 -0.505 0.677 2.615 1.00 0.00 H +ATOM 114 HZ2 TRP A 6 4.464 0.415 2.929 1.00 0.00 H +ATOM 115 HZ3 TRP A 6 0.600 0.564 4.832 1.00 0.00 H +ATOM 116 HH2 TRP A 6 3.067 0.481 5.014 1.00 0.00 H +ATOM 117 N LEU A 7 -1.635 -1.843 0.921 1.00 0.00 N +ATOM 118 CA LEU A 7 -1.657 -2.918 1.915 1.00 0.00 C +ATOM 119 C LEU A 7 -1.850 -4.300 1.279 1.00 0.00 C +ATOM 120 O LEU A 7 -1.189 -5.245 1.705 1.00 0.00 O +ATOM 121 CB LEU A 7 -2.734 -2.654 2.978 1.00 0.00 C +ATOM 122 CG LEU A 7 -2.362 -1.573 4.010 1.00 0.00 C +ATOM 123 CD1 LEU A 7 -3.534 -1.401 4.981 1.00 0.00 C +ATOM 124 CD2 LEU A 7 -1.117 -1.940 4.827 1.00 0.00 C +ATOM 125 H LEU A 7 -2.351 -1.119 0.959 1.00 0.00 H +ATOM 126 HA LEU A 7 -0.679 -2.957 2.392 1.00 0.00 H +ATOM 127 HB2 LEU A 7 -3.631 -2.344 2.477 1.00 0.00 H +ATOM 128 HB3 LEU A 7 -2.923 -3.583 3.518 1.00 0.00 H +ATOM 129 HG LEU A 7 -2.187 -0.627 3.506 1.00 0.00 H +ATOM 130 HD11 LEU A 7 -4.451 -1.204 4.427 1.00 0.00 H +ATOM 131 HD12 LEU A 7 -3.657 -2.303 5.579 1.00 0.00 H +ATOM 132 HD13 LEU A 7 -3.341 -0.562 5.647 1.00 0.00 H +ATOM 133 HD21 LEU A 7 -1.237 -2.927 5.274 1.00 0.00 H +ATOM 134 HD22 LEU A 7 -0.232 -1.942 4.191 1.00 0.00 H +ATOM 135 HD23 LEU A 7 -0.962 -1.204 5.615 1.00 0.00 H +ATOM 136 N LYS A 8 -2.693 -4.415 0.243 1.00 0.00 N +ATOM 137 CA LYS A 8 -2.927 -5.668 -0.497 1.00 0.00 C +ATOM 138 C LYS A 8 -1.653 -6.277 -1.088 1.00 0.00 C +ATOM 139 O LYS A 8 -1.528 -7.496 -1.107 1.00 0.00 O +ATOM 140 CB LYS A 8 -3.973 -5.432 -1.602 1.00 0.00 C +ATOM 141 CG LYS A 8 -5.211 -6.326 -1.434 1.00 0.00 C +ATOM 142 CD LYS A 8 -6.475 -5.580 -1.872 1.00 0.00 C +ATOM 143 CE LYS A 8 -7.711 -6.420 -1.540 1.00 0.00 C +ATOM 144 NZ LYS A 8 -8.949 -5.755 -2.006 1.00 0.00 N +ATOM 145 H LYS A 8 -3.216 -3.585 -0.025 1.00 0.00 H +ATOM 146 HA LYS A 8 -3.295 -6.407 0.215 1.00 0.00 H +ATOM 147 HB2 LYS A 8 -4.282 -4.405 -1.571 1.00 0.00 H +ATOM 148 HB3 LYS A 8 -3.535 -5.617 -2.585 1.00 0.00 H +ATOM 149 HG2 LYS A 8 -5.095 -7.207 -2.035 1.00 0.00 H +ATOM 150 HG3 LYS A 8 -5.330 -6.615 -0.390 1.00 0.00 H +ATOM 151 HD2 LYS A 8 -6.532 -4.641 -1.355 1.00 0.00 H +ATOM 152 HD3 LYS A 8 -6.425 -5.375 -2.942 1.00 0.00 H +ATOM 153 HE2 LYS A 8 -7.625 -7.376 -2.020 1.00 0.00 H +ATOM 154 HE3 LYS A 8 -7.744 -6.556 -0.456 1.00 0.00 H +ATOM 155 HZ1 LYS A 8 -8.883 -4.758 -1.855 1.00 0.00 H +ATOM 156 HZ2 LYS A 8 -9.086 -5.926 -2.995 1.00 0.00 H +ATOM 157 HZ3 LYS A 8 -9.750 -6.109 -1.500 1.00 0.00 H +ATOM 158 N ASP A 9 -0.716 -5.437 -1.534 1.00 0.00 N +ATOM 159 CA ASP A 9 0.596 -5.859 -2.042 1.00 0.00 C +ATOM 160 C ASP A 9 1.481 -6.488 -0.941 1.00 0.00 C +ATOM 161 O ASP A 9 2.363 -7.284 -1.255 1.00 0.00 O +ATOM 162 CB ASP A 9 1.292 -4.644 -2.692 1.00 0.00 C +ATOM 163 CG ASP A 9 2.005 -4.972 -4.012 1.00 0.00 C +ATOM 164 OD1 ASP A 9 1.283 -5.311 -4.975 1.00 0.00 O +ATOM 165 OD2 ASP A 9 3.245 -4.797 -4.077 1.00 0.00 O +ATOM 166 H ASP A 9 -0.933 -4.447 -1.525 1.00 0.00 H +ATOM 167 HA ASP A 9 0.434 -6.621 -2.808 1.00 0.00 H +ATOM 168 HB2 ASP A 9 0.551 -3.893 -2.885 1.00 0.00 H +ATOM 169 HB3 ASP A 9 2.002 -4.208 -1.987 1.00 0.00 H +ATOM 170 N GLY A 10 1.219 -6.165 0.339 1.00 0.00 N +ATOM 171 CA GLY A 10 2.000 -6.593 1.510 1.00 0.00 C +ATOM 172 C GLY A 10 2.552 -5.441 2.368 1.00 0.00 C +ATOM 173 O GLY A 10 3.421 -5.669 3.222 1.00 0.00 O +ATOM 174 H GLY A 10 0.387 -5.611 0.509 1.00 0.00 H +ATOM 175 HA2 GLY A 10 1.359 -7.205 2.144 1.00 0.00 H +ATOM 176 HA3 GLY A 10 2.843 -7.202 1.190 1.00 0.00 H +ATOM 177 N GLY A 11 2.100 -4.200 2.127 1.00 0.00 N +ATOM 178 CA GLY A 11 2.565 -3.016 2.844 1.00 0.00 C +ATOM 179 C GLY A 11 4.085 -2.823 2.696 1.00 0.00 C +ATOM 180 O GLY A 11 4.601 -2.976 1.581 1.00 0.00 O +ATOM 181 H GLY A 11 1.469 -4.062 1.347 1.00 0.00 H +ATOM 182 HA2 GLY A 11 2.060 -2.134 2.448 1.00 0.00 H +ATOM 183 HA3 GLY A 11 2.283 -3.131 3.889 1.00 0.00 H +ATOM 184 N PRO A 12 4.824 -2.520 3.787 1.00 0.00 N +ATOM 185 CA PRO A 12 6.277 -2.307 3.754 1.00 0.00 C +ATOM 186 C PRO A 12 7.081 -3.495 3.201 1.00 0.00 C +ATOM 187 O PRO A 12 8.203 -3.312 2.737 1.00 0.00 O +ATOM 188 CB PRO A 12 6.699 -2.018 5.204 1.00 0.00 C +ATOM 189 CG PRO A 12 5.406 -1.656 5.929 1.00 0.00 C +ATOM 190 CD PRO A 12 4.342 -2.429 5.160 1.00 0.00 C +ATOM 191 HA PRO A 12 6.486 -1.429 3.142 1.00 0.00 H +ATOM 192 HB2 PRO A 12 7.148 -2.886 5.646 1.00 0.00 H +ATOM 193 HB3 PRO A 12 7.420 -1.199 5.254 1.00 0.00 H +ATOM 194 HG2 PRO A 12 5.441 -1.968 6.955 1.00 0.00 H +ATOM 195 HG3 PRO A 12 5.218 -0.586 5.838 1.00 0.00 H +ATOM 196 HD2 PRO A 12 4.219 -3.410 5.578 1.00 0.00 H +ATOM 197 HD3 PRO A 12 3.387 -1.911 5.231 1.00 0.00 H +ATOM 198 N SER A 13 6.509 -4.707 3.214 1.00 0.00 N +ATOM 199 CA SER A 13 7.159 -5.950 2.773 1.00 0.00 C +ATOM 200 C SER A 13 7.030 -6.225 1.263 1.00 0.00 C +ATOM 201 O SER A 13 7.213 -7.355 0.818 1.00 0.00 O +ATOM 202 CB SER A 13 6.698 -7.124 3.649 1.00 0.00 C +ATOM 203 OG SER A 13 5.331 -7.475 3.506 1.00 0.00 O +ATOM 204 H SER A 13 5.551 -4.762 3.529 1.00 0.00 H +ATOM 205 HA SER A 13 8.229 -5.841 2.949 1.00 0.00 H +ATOM 206 HB2 SER A 13 7.291 -7.982 3.396 1.00 0.00 H +ATOM 207 HB3 SER A 13 6.899 -6.873 4.691 1.00 0.00 H +ATOM 208 HG SER A 13 4.725 -6.704 3.495 1.00 0.00 H +ATOM 209 N SER A 14 6.763 -5.177 0.472 1.00 0.00 N +ATOM 210 CA SER A 14 6.427 -5.256 -0.961 1.00 0.00 C +ATOM 211 C SER A 14 7.393 -4.454 -1.849 1.00 0.00 C +ATOM 212 O SER A 14 7.103 -4.203 -3.018 1.00 0.00 O +ATOM 213 CB SER A 14 4.966 -4.835 -1.209 1.00 0.00 C +ATOM 214 OG SER A 14 4.155 -4.935 -0.060 1.00 0.00 O +ATOM 215 H SER A 14 6.628 -4.294 0.943 1.00 0.00 H +ATOM 216 HA SER A 14 6.505 -6.297 -1.276 1.00 0.00 H +ATOM 217 HB2 SER A 14 4.957 -3.816 -1.545 1.00 0.00 H +ATOM 218 HB3 SER A 14 4.553 -5.447 -2.010 1.00 0.00 H +ATOM 219 HG SER A 14 4.335 -4.165 0.528 1.00 0.00 H +ATOM 220 N GLY A 15 8.524 -3.999 -1.288 1.00 0.00 N +ATOM 221 CA GLY A 15 9.526 -3.183 -1.983 1.00 0.00 C +ATOM 222 C GLY A 15 9.030 -1.786 -2.384 1.00 0.00 C +ATOM 223 O GLY A 15 9.571 -1.198 -3.319 1.00 0.00 O +ATOM 224 H GLY A 15 8.702 -4.280 -0.334 1.00 0.00 H +ATOM 225 HA2 GLY A 15 10.392 -3.054 -1.335 1.00 0.00 H +ATOM 226 HA3 GLY A 15 9.855 -3.702 -2.884 1.00 0.00 H +ATOM 227 N ARG A 16 7.999 -1.262 -1.701 1.00 0.00 N +ATOM 228 CA ARG A 16 7.349 0.019 -2.007 1.00 0.00 C +ATOM 229 C ARG A 16 6.893 0.760 -0.731 1.00 0.00 C +ATOM 230 O ARG A 16 6.219 0.163 0.112 1.00 0.00 O +ATOM 231 CB ARG A 16 6.178 -0.191 -2.987 1.00 0.00 C +ATOM 232 CG ARG A 16 5.135 -1.203 -2.490 1.00 0.00 C +ATOM 233 CD ARG A 16 3.984 -1.428 -3.468 1.00 0.00 C +ATOM 234 NE ARG A 16 4.422 -2.198 -4.644 1.00 0.00 N +ATOM 235 CZ ARG A 16 3.985 -2.079 -5.889 1.00 0.00 C +ATOM 236 NH1 ARG A 16 3.095 -1.174 -6.226 1.00 0.00 N +ATOM 237 NH2 ARG A 16 4.443 -2.867 -6.829 1.00 0.00 N +ATOM 238 H ARG A 16 7.637 -1.808 -0.931 1.00 0.00 H +ATOM 239 HA ARG A 16 8.087 0.627 -2.526 1.00 0.00 H +ATOM 240 HB2 ARG A 16 5.690 0.752 -3.140 1.00 0.00 H +ATOM 241 HB3 ARG A 16 6.587 -0.548 -3.935 1.00 0.00 H +ATOM 242 HG2 ARG A 16 5.627 -2.142 -2.323 1.00 0.00 H +ATOM 243 HG3 ARG A 16 4.707 -0.869 -1.550 1.00 0.00 H +ATOM 244 HD2 ARG A 16 3.202 -1.967 -2.969 1.00 0.00 H +ATOM 245 HD3 ARG A 16 3.580 -0.460 -3.754 1.00 0.00 H +ATOM 246 HE ARG A 16 4.950 -3.039 -4.447 1.00 0.00 H +ATOM 247 HH11 ARG A 16 2.699 -0.623 -5.487 1.00 0.00 H +ATOM 248 HH12 ARG A 16 2.736 -1.119 -7.160 1.00 0.00 H +ATOM 249 HH21 ARG A 16 5.052 -3.623 -6.563 1.00 0.00 H +ATOM 250 HH22 ARG A 16 4.097 -2.799 -7.766 1.00 0.00 H +ATOM 251 N PRO A 17 7.222 2.058 -0.583 1.00 0.00 N +ATOM 252 CA PRO A 17 6.818 2.862 0.570 1.00 0.00 C +ATOM 253 C PRO A 17 5.308 3.175 0.566 1.00 0.00 C +ATOM 254 O PRO A 17 4.649 2.986 -0.461 1.00 0.00 O +ATOM 255 CB PRO A 17 7.668 4.136 0.467 1.00 0.00 C +ATOM 256 CG PRO A 17 7.903 4.302 -1.030 1.00 0.00 C +ATOM 257 CD PRO A 17 7.972 2.866 -1.536 1.00 0.00 C +ATOM 258 HA PRO A 17 7.067 2.330 1.490 1.00 0.00 H +ATOM 259 HB2 PRO A 17 7.140 4.980 0.866 1.00 0.00 H +ATOM 260 HB3 PRO A 17 8.622 3.973 0.971 1.00 0.00 H +ATOM 261 HG2 PRO A 17 7.092 4.833 -1.490 1.00 0.00 H +ATOM 262 HG3 PRO A 17 8.828 4.841 -1.235 1.00 0.00 H +ATOM 263 HD2 PRO A 17 7.531 2.795 -2.511 1.00 0.00 H +ATOM 264 HD3 PRO A 17 9.009 2.530 -1.559 1.00 0.00 H +ATOM 265 N PRO A 18 4.746 3.667 1.690 1.00 0.00 N +ATOM 266 CA PRO A 18 3.331 4.024 1.786 1.00 0.00 C +ATOM 267 C PRO A 18 2.969 5.219 0.879 1.00 0.00 C +ATOM 268 O PRO A 18 3.752 6.167 0.773 1.00 0.00 O +ATOM 269 CB PRO A 18 3.081 4.342 3.265 1.00 0.00 C +ATOM 270 CG PRO A 18 4.457 4.738 3.793 1.00 0.00 C +ATOM 271 CD PRO A 18 5.409 3.874 2.971 1.00 0.00 C +ATOM 272 HA PRO A 18 2.737 3.158 1.511 1.00 0.00 H +ATOM 273 HB2 PRO A 18 2.385 5.152 3.369 1.00 0.00 H +ATOM 274 HB3 PRO A 18 2.740 3.441 3.778 1.00 0.00 H +ATOM 275 HG2 PRO A 18 4.646 5.781 3.629 1.00 0.00 H +ATOM 276 HG3 PRO A 18 4.557 4.542 4.860 1.00 0.00 H +ATOM 277 HD2 PRO A 18 6.346 4.379 2.831 1.00 0.00 H +ATOM 278 HD3 PRO A 18 5.554 2.911 3.463 1.00 0.00 H +ATOM 279 N PRO A 19 1.774 5.216 0.253 1.00 0.00 N +ATOM 280 CA PRO A 19 1.314 6.299 -0.608 1.00 0.00 C +ATOM 281 C PRO A 19 0.874 7.500 0.242 1.00 0.00 C +ATOM 282 O PRO A 19 -0.165 7.445 0.901 1.00 0.00 O +ATOM 283 CB PRO A 19 0.174 5.693 -1.433 1.00 0.00 C +ATOM 284 CG PRO A 19 -0.436 4.648 -0.498 1.00 0.00 C +ATOM 285 CD PRO A 19 0.761 4.170 0.330 1.00 0.00 C +ATOM 286 HA PRO A 19 2.114 6.607 -1.283 1.00 0.00 H +ATOM 287 HB2 PRO A 19 -0.549 6.442 -1.694 1.00 0.00 H +ATOM 288 HB3 PRO A 19 0.591 5.191 -2.307 1.00 0.00 H +ATOM 289 HG2 PRO A 19 -1.187 5.087 0.130 1.00 0.00 H +ATOM 290 HG3 PRO A 19 -0.891 3.829 -1.053 1.00 0.00 H +ATOM 291 HD2 PRO A 19 0.466 4.016 1.350 1.00 0.00 H +ATOM 292 HD3 PRO A 19 1.161 3.257 -0.105 1.00 0.00 H +ATOM 293 N SER A 20 1.692 8.561 0.244 1.00 0.00 N +ATOM 294 CA SER A 20 1.395 9.850 0.892 1.00 0.00 C +ATOM 295 C SER A 20 0.641 10.781 -0.057 1.00 0.00 C +ATOM 296 O SER A 20 1.191 11.035 -1.153 1.00 0.00 O +ATOM 297 CB SER A 20 2.675 10.542 1.362 1.00 0.00 C +ATOM 298 OG SER A 20 3.385 9.705 2.254 1.00 0.00 O +ATOM 299 OXT SER A 20 -0.453 11.237 0.341 1.00 0.00 O +ATOM 300 H SER A 20 2.495 8.530 -0.365 1.00 0.00 H +ATOM 301 HA SER A 20 0.748 9.687 1.754 1.00 0.00 H +ATOM 302 HB2 SER A 20 3.293 10.759 0.512 1.00 0.00 H +ATOM 303 HB3 SER A 20 2.412 11.474 1.867 1.00 0.00 H +ATOM 304 HG SER A 20 3.522 8.859 1.817 1.00 0.00 H +TER 305 SER A 20 +ENDMDL +MODEL 18 +ATOM 1 N ASN A 1 -4.790 8.442 0.249 1.00 0.00 N +ATOM 2 CA ASN A 1 -5.686 7.485 -0.453 1.00 0.00 C +ATOM 3 C ASN A 1 -4.849 6.300 -0.965 1.00 0.00 C +ATOM 4 O ASN A 1 -3.693 6.208 -0.570 1.00 0.00 O +ATOM 5 CB ASN A 1 -6.519 8.196 -1.544 1.00 0.00 C +ATOM 6 CG ASN A 1 -7.833 7.461 -1.812 1.00 0.00 C +ATOM 7 OD1 ASN A 1 -7.853 6.422 -2.450 1.00 0.00 O +ATOM 8 ND2 ASN A 1 -8.951 7.930 -1.294 1.00 0.00 N +ATOM 9 H1 ASN A 1 -4.244 7.939 0.938 1.00 0.00 H +ATOM 10 H2 ASN A 1 -4.142 8.858 -0.406 1.00 0.00 H +ATOM 11 H3 ASN A 1 -5.325 9.168 0.704 1.00 0.00 H +ATOM 12 HA ASN A 1 -6.383 7.080 0.282 1.00 0.00 H +ATOM 13 HB2 ASN A 1 -6.738 9.195 -1.220 1.00 0.00 H +ATOM 14 HB3 ASN A 1 -5.944 8.259 -2.469 1.00 0.00 H +ATOM 15 HD21 ASN A 1 -9.019 8.786 -0.768 1.00 0.00 H +ATOM 16 HD22 ASN A 1 -9.770 7.389 -1.524 1.00 0.00 H +ATOM 17 N LEU A 2 -5.405 5.376 -1.765 1.00 0.00 N +ATOM 18 CA LEU A 2 -4.751 4.202 -2.378 1.00 0.00 C +ATOM 19 C LEU A 2 -4.144 3.169 -1.390 1.00 0.00 C +ATOM 20 O LEU A 2 -3.662 2.112 -1.794 1.00 0.00 O +ATOM 21 CB LEU A 2 -3.724 4.701 -3.418 1.00 0.00 C +ATOM 22 CG LEU A 2 -3.530 3.738 -4.610 1.00 0.00 C +ATOM 23 CD1 LEU A 2 -4.310 4.230 -5.834 1.00 0.00 C +ATOM 24 CD2 LEU A 2 -2.051 3.617 -4.978 1.00 0.00 C +ATOM 25 H LEU A 2 -6.367 5.541 -2.065 1.00 0.00 H +ATOM 26 HA LEU A 2 -5.530 3.669 -2.924 1.00 0.00 H +ATOM 27 HB2 LEU A 2 -4.059 5.647 -3.798 1.00 0.00 H +ATOM 28 HB3 LEU A 2 -2.776 4.864 -2.910 1.00 0.00 H +ATOM 29 HG LEU A 2 -3.896 2.747 -4.351 1.00 0.00 H +ATOM 30 HD11 LEU A 2 -5.363 4.348 -5.581 1.00 0.00 H +ATOM 31 HD12 LEU A 2 -3.911 5.184 -6.179 1.00 0.00 H +ATOM 32 HD13 LEU A 2 -4.230 3.497 -6.639 1.00 0.00 H +ATOM 33 HD21 LEU A 2 -1.642 4.598 -5.223 1.00 0.00 H +ATOM 34 HD22 LEU A 2 -1.504 3.192 -4.138 1.00 0.00 H +ATOM 35 HD23 LEU A 2 -1.942 2.955 -5.838 1.00 0.00 H +ATOM 36 N TYR A 3 -4.199 3.443 -0.085 1.00 0.00 N +ATOM 37 CA TYR A 3 -3.520 2.704 0.978 1.00 0.00 C +ATOM 38 C TYR A 3 -3.955 1.233 1.067 1.00 0.00 C +ATOM 39 O TYR A 3 -3.129 0.359 1.321 1.00 0.00 O +ATOM 40 CB TYR A 3 -3.753 3.449 2.303 1.00 0.00 C +ATOM 41 CG TYR A 3 -2.583 3.372 3.262 1.00 0.00 C +ATOM 42 CD1 TYR A 3 -2.356 2.199 4.004 1.00 0.00 C +ATOM 43 CD2 TYR A 3 -1.718 4.476 3.408 1.00 0.00 C +ATOM 44 CE1 TYR A 3 -1.265 2.121 4.888 1.00 0.00 C +ATOM 45 CE2 TYR A 3 -0.634 4.408 4.303 1.00 0.00 C +ATOM 46 CZ TYR A 3 -0.399 3.225 5.036 1.00 0.00 C +ATOM 47 OH TYR A 3 0.654 3.151 5.892 1.00 0.00 O +ATOM 48 H TYR A 3 -4.531 4.367 0.144 1.00 0.00 H +ATOM 49 HA TYR A 3 -2.450 2.720 0.763 1.00 0.00 H +ATOM 50 HB2 TYR A 3 -3.942 4.482 2.082 1.00 0.00 H +ATOM 51 HB3 TYR A 3 -4.647 3.061 2.792 1.00 0.00 H +ATOM 52 HD1 TYR A 3 -3.021 1.359 3.886 1.00 0.00 H +ATOM 53 HD2 TYR A 3 -1.875 5.381 2.835 1.00 0.00 H +ATOM 54 HE1 TYR A 3 -1.080 1.223 5.456 1.00 0.00 H +ATOM 55 HE2 TYR A 3 0.025 5.255 4.425 1.00 0.00 H +ATOM 56 HH TYR A 3 0.402 3.418 6.779 1.00 0.00 H +ATOM 57 N ILE A 4 -5.239 0.944 0.809 1.00 0.00 N +ATOM 58 CA ILE A 4 -5.793 -0.418 0.803 1.00 0.00 C +ATOM 59 C ILE A 4 -5.137 -1.278 -0.294 1.00 0.00 C +ATOM 60 O ILE A 4 -4.777 -2.429 -0.051 1.00 0.00 O +ATOM 61 CB ILE A 4 -7.337 -0.377 0.654 1.00 0.00 C +ATOM 62 CG1 ILE A 4 -8.002 0.564 1.695 1.00 0.00 C +ATOM 63 CG2 ILE A 4 -7.933 -1.789 0.786 1.00 0.00 C +ATOM 64 CD1 ILE A 4 -8.600 1.821 1.047 1.00 0.00 C +ATOM 65 H ILE A 4 -5.855 1.722 0.628 1.00 0.00 H +ATOM 66 HA ILE A 4 -5.561 -0.884 1.762 1.00 0.00 H +ATOM 67 HB ILE A 4 -7.578 -0.019 -0.348 1.00 0.00 H +ATOM 68 HG12 ILE A 4 -8.786 0.027 2.194 1.00 0.00 H +ATOM 69 HG13 ILE A 4 -7.278 0.868 2.451 1.00 0.00 H +ATOM 70 HG21 ILE A 4 -7.587 -2.427 -0.028 1.00 0.00 H +ATOM 71 HG22 ILE A 4 -7.641 -2.235 1.738 1.00 0.00 H +ATOM 72 HG23 ILE A 4 -9.023 -1.740 0.735 1.00 0.00 H +ATOM 73 HD11 ILE A 4 -7.889 2.268 0.350 1.00 0.00 H +ATOM 74 HD12 ILE A 4 -9.514 1.556 0.511 1.00 0.00 H +ATOM 75 HD13 ILE A 4 -8.845 2.548 1.821 1.00 0.00 H +ATOM 76 N GLN A 5 -4.930 -0.702 -1.487 1.00 0.00 N +ATOM 77 CA GLN A 5 -4.240 -1.358 -2.602 1.00 0.00 C +ATOM 78 C GLN A 5 -2.757 -1.594 -2.286 1.00 0.00 C +ATOM 79 O GLN A 5 -2.238 -2.664 -2.596 1.00 0.00 O +ATOM 80 CB GLN A 5 -4.402 -0.514 -3.877 1.00 0.00 C +ATOM 81 CG GLN A 5 -5.825 -0.583 -4.457 1.00 0.00 C +ATOM 82 CD GLN A 5 -6.299 0.780 -4.949 1.00 0.00 C +ATOM 83 OE1 GLN A 5 -5.987 1.219 -6.043 1.00 0.00 O +ATOM 84 NE2 GLN A 5 -7.068 1.504 -4.156 1.00 0.00 N +ATOM 85 H GLN A 5 -5.142 0.280 -1.577 1.00 0.00 H +ATOM 86 HA GLN A 5 -4.690 -2.336 -2.774 1.00 0.00 H +ATOM 87 HB2 GLN A 5 -4.176 0.508 -3.643 1.00 0.00 H +ATOM 88 HB3 GLN A 5 -3.702 -0.864 -4.637 1.00 0.00 H +ATOM 89 HG2 GLN A 5 -5.832 -1.272 -5.280 1.00 0.00 H +ATOM 90 HG3 GLN A 5 -6.527 -0.953 -3.709 1.00 0.00 H +ATOM 91 HE21 GLN A 5 -7.405 1.166 -3.274 1.00 0.00 H +ATOM 92 HE22 GLN A 5 -7.384 2.362 -4.578 1.00 0.00 H +ATOM 93 N TRP A 6 -2.087 -0.635 -1.631 1.00 0.00 N +ATOM 94 CA TRP A 6 -0.718 -0.822 -1.137 1.00 0.00 C +ATOM 95 C TRP A 6 -0.625 -1.935 -0.078 1.00 0.00 C +ATOM 96 O TRP A 6 0.234 -2.811 -0.181 1.00 0.00 O +ATOM 97 CB TRP A 6 -0.169 0.510 -0.615 1.00 0.00 C +ATOM 98 CG TRP A 6 1.231 0.448 -0.086 1.00 0.00 C +ATOM 99 CD1 TRP A 6 2.357 0.390 -0.836 1.00 0.00 C +ATOM 100 CD2 TRP A 6 1.678 0.412 1.305 1.00 0.00 C +ATOM 101 NE1 TRP A 6 3.461 0.324 -0.009 1.00 0.00 N +ATOM 102 CE2 TRP A 6 3.102 0.345 1.317 1.00 0.00 C +ATOM 103 CE3 TRP A 6 1.032 0.434 2.562 1.00 0.00 C +ATOM 104 CZ2 TRP A 6 3.852 0.322 2.500 1.00 0.00 C +ATOM 105 CZ3 TRP A 6 1.773 0.390 3.759 1.00 0.00 C +ATOM 106 CH2 TRP A 6 3.179 0.343 3.732 1.00 0.00 C +ATOM 107 H TRP A 6 -2.569 0.238 -1.442 1.00 0.00 H +ATOM 108 HA TRP A 6 -0.091 -1.137 -1.973 1.00 0.00 H +ATOM 109 HB2 TRP A 6 -0.191 1.219 -1.420 1.00 0.00 H +ATOM 110 HB3 TRP A 6 -0.817 0.881 0.178 1.00 0.00 H +ATOM 111 HD1 TRP A 6 2.382 0.389 -1.919 1.00 0.00 H +ATOM 112 HE1 TRP A 6 4.439 0.289 -0.304 1.00 0.00 H +ATOM 113 HE3 TRP A 6 -0.045 0.494 2.594 1.00 0.00 H +ATOM 114 HZ2 TRP A 6 4.931 0.270 2.447 1.00 0.00 H +ATOM 115 HZ3 TRP A 6 1.262 0.416 4.711 1.00 0.00 H +ATOM 116 HH2 TRP A 6 3.741 0.324 4.655 1.00 0.00 H +ATOM 117 N LEU A 7 -1.535 -1.954 0.908 1.00 0.00 N +ATOM 118 CA LEU A 7 -1.599 -3.028 1.905 1.00 0.00 C +ATOM 119 C LEU A 7 -1.859 -4.404 1.277 1.00 0.00 C +ATOM 120 O LEU A 7 -1.246 -5.374 1.719 1.00 0.00 O +ATOM 121 CB LEU A 7 -2.653 -2.718 2.982 1.00 0.00 C +ATOM 122 CG LEU A 7 -2.238 -1.612 3.971 1.00 0.00 C +ATOM 123 CD1 LEU A 7 -3.451 -1.213 4.816 1.00 0.00 C +ATOM 124 CD2 LEU A 7 -1.124 -2.058 4.928 1.00 0.00 C +ATOM 125 H LEU A 7 -2.199 -1.184 0.968 1.00 0.00 H +ATOM 126 HA LEU A 7 -0.619 -3.101 2.378 1.00 0.00 H +ATOM 127 HB2 LEU A 7 -3.556 -2.409 2.491 1.00 0.00 H +ATOM 128 HB3 LEU A 7 -2.850 -3.627 3.553 1.00 0.00 H +ATOM 129 HG LEU A 7 -1.894 -0.741 3.419 1.00 0.00 H +ATOM 130 HD11 LEU A 7 -4.238 -0.826 4.169 1.00 0.00 H +ATOM 131 HD12 LEU A 7 -3.830 -2.080 5.360 1.00 0.00 H +ATOM 132 HD13 LEU A 7 -3.169 -0.442 5.533 1.00 0.00 H +ATOM 133 HD21 LEU A 7 -1.484 -2.855 5.579 1.00 0.00 H +ATOM 134 HD22 LEU A 7 -0.258 -2.415 4.373 1.00 0.00 H +ATOM 135 HD23 LEU A 7 -0.808 -1.215 5.538 1.00 0.00 H +ATOM 136 N LYS A 8 -2.699 -4.500 0.231 1.00 0.00 N +ATOM 137 CA LYS A 8 -2.961 -5.760 -0.490 1.00 0.00 C +ATOM 138 C LYS A 8 -1.682 -6.440 -0.992 1.00 0.00 C +ATOM 139 O LYS A 8 -1.618 -7.666 -1.015 1.00 0.00 O +ATOM 140 CB LYS A 8 -3.959 -5.521 -1.641 1.00 0.00 C +ATOM 141 CG LYS A 8 -4.419 -6.827 -2.322 1.00 0.00 C +ATOM 142 CD LYS A 8 -3.630 -7.226 -3.585 1.00 0.00 C +ATOM 143 CE LYS A 8 -4.103 -6.440 -4.814 1.00 0.00 C +ATOM 144 NZ LYS A 8 -3.568 -7.025 -6.066 1.00 0.00 N +ATOM 145 H LYS A 8 -3.215 -3.664 -0.036 1.00 0.00 H +ATOM 146 HA LYS A 8 -3.413 -6.457 0.217 1.00 0.00 H +ATOM 147 HB2 LYS A 8 -4.821 -5.019 -1.247 1.00 0.00 H +ATOM 148 HB3 LYS A 8 -3.524 -4.853 -2.384 1.00 0.00 H +ATOM 149 HG2 LYS A 8 -4.327 -7.623 -1.608 1.00 0.00 H +ATOM 150 HG3 LYS A 8 -5.470 -6.727 -2.593 1.00 0.00 H +ATOM 151 HD2 LYS A 8 -2.588 -7.026 -3.423 1.00 0.00 H +ATOM 152 HD3 LYS A 8 -3.798 -8.290 -3.759 1.00 0.00 H +ATOM 153 HE2 LYS A 8 -5.175 -6.459 -4.850 1.00 0.00 H +ATOM 154 HE3 LYS A 8 -3.782 -5.399 -4.713 1.00 0.00 H +ATOM 155 HZ1 LYS A 8 -2.555 -6.986 -6.067 1.00 0.00 H +ATOM 156 HZ2 LYS A 8 -3.851 -7.992 -6.145 1.00 0.00 H +ATOM 157 HZ3 LYS A 8 -3.914 -6.519 -6.870 1.00 0.00 H +ATOM 158 N ASP A 9 -0.674 -5.659 -1.382 1.00 0.00 N +ATOM 159 CA ASP A 9 0.615 -6.165 -1.853 1.00 0.00 C +ATOM 160 C ASP A 9 1.571 -6.567 -0.705 1.00 0.00 C +ATOM 161 O ASP A 9 2.686 -7.014 -0.969 1.00 0.00 O +ATOM 162 CB ASP A 9 1.231 -5.098 -2.777 1.00 0.00 C +ATOM 163 CG ASP A 9 2.189 -5.711 -3.799 1.00 0.00 C +ATOM 164 OD1 ASP A 9 1.663 -6.222 -4.813 1.00 0.00 O +ATOM 165 OD2 ASP A 9 3.416 -5.646 -3.568 1.00 0.00 O +ATOM 166 H ASP A 9 -0.796 -4.654 -1.332 1.00 0.00 H +ATOM 167 HA ASP A 9 0.438 -7.059 -2.454 1.00 0.00 H +ATOM 168 HB2 ASP A 9 0.441 -4.595 -3.301 1.00 0.00 H +ATOM 169 HB3 ASP A 9 1.736 -4.335 -2.183 1.00 0.00 H +ATOM 170 N GLY A 10 1.188 -6.375 0.570 1.00 0.00 N +ATOM 171 CA GLY A 10 2.022 -6.675 1.745 1.00 0.00 C +ATOM 172 C GLY A 10 2.601 -5.455 2.475 1.00 0.00 C +ATOM 173 O GLY A 10 3.441 -5.624 3.363 1.00 0.00 O +ATOM 174 H GLY A 10 0.253 -6.015 0.741 1.00 0.00 H +ATOM 175 HA2 GLY A 10 1.412 -7.227 2.460 1.00 0.00 H +ATOM 176 HA3 GLY A 10 2.853 -7.319 1.458 1.00 0.00 H +ATOM 177 N GLY A 11 2.171 -4.233 2.128 1.00 0.00 N +ATOM 178 CA GLY A 11 2.595 -2.981 2.757 1.00 0.00 C +ATOM 179 C GLY A 11 4.126 -2.821 2.820 1.00 0.00 C +ATOM 180 O GLY A 11 4.764 -2.728 1.772 1.00 0.00 O +ATOM 181 H GLY A 11 1.579 -4.166 1.309 1.00 0.00 H +ATOM 182 HA2 GLY A 11 2.194 -2.157 2.171 1.00 0.00 H +ATOM 183 HA3 GLY A 11 2.155 -2.927 3.750 1.00 0.00 H +ATOM 184 N PRO A 12 4.762 -2.798 4.014 1.00 0.00 N +ATOM 185 CA PRO A 12 6.222 -2.711 4.128 1.00 0.00 C +ATOM 186 C PRO A 12 6.985 -3.820 3.384 1.00 0.00 C +ATOM 187 O PRO A 12 8.141 -3.624 3.019 1.00 0.00 O +ATOM 188 CB PRO A 12 6.536 -2.771 5.628 1.00 0.00 C +ATOM 189 CG PRO A 12 5.232 -2.347 6.300 1.00 0.00 C +ATOM 190 CD PRO A 12 4.159 -2.854 5.339 1.00 0.00 C +ATOM 191 HA PRO A 12 6.541 -1.745 3.735 1.00 0.00 H +ATOM 192 HB2 PRO A 12 6.809 -3.767 5.920 1.00 0.00 H +ATOM 193 HB3 PRO A 12 7.357 -2.104 5.890 1.00 0.00 H +ATOM 194 HG2 PRO A 12 5.131 -2.805 7.265 1.00 0.00 H +ATOM 195 HG3 PRO A 12 5.189 -1.259 6.357 1.00 0.00 H +ATOM 196 HD2 PRO A 12 3.884 -3.862 5.583 1.00 0.00 H +ATOM 197 HD3 PRO A 12 3.274 -2.223 5.414 1.00 0.00 H +ATOM 198 N SER A 13 6.349 -4.977 3.147 1.00 0.00 N +ATOM 199 CA SER A 13 6.954 -6.124 2.463 1.00 0.00 C +ATOM 200 C SER A 13 6.833 -6.062 0.928 1.00 0.00 C +ATOM 201 O SER A 13 7.261 -6.986 0.242 1.00 0.00 O +ATOM 202 CB SER A 13 6.368 -7.420 3.048 1.00 0.00 C +ATOM 203 OG SER A 13 7.404 -8.335 3.350 1.00 0.00 O +ATOM 204 H SER A 13 5.372 -5.058 3.425 1.00 0.00 H +ATOM 205 HA SER A 13 8.023 -6.116 2.682 1.00 0.00 H +ATOM 206 HB2 SER A 13 5.826 -7.190 3.945 1.00 0.00 H +ATOM 207 HB3 SER A 13 5.665 -7.873 2.347 1.00 0.00 H +ATOM 208 HG SER A 13 7.993 -7.938 3.997 1.00 0.00 H +ATOM 209 N SER A 14 6.285 -4.971 0.375 1.00 0.00 N +ATOM 210 CA SER A 14 5.996 -4.784 -1.057 1.00 0.00 C +ATOM 211 C SER A 14 7.108 -4.082 -1.850 1.00 0.00 C +ATOM 212 O SER A 14 6.920 -3.757 -3.019 1.00 0.00 O +ATOM 213 CB SER A 14 4.711 -3.968 -1.193 1.00 0.00 C +ATOM 214 OG SER A 14 3.682 -4.612 -0.483 1.00 0.00 O +ATOM 215 H SER A 14 5.894 -4.268 0.998 1.00 0.00 H +ATOM 216 HA SER A 14 5.825 -5.757 -1.521 1.00 0.00 H +ATOM 217 HB2 SER A 14 4.865 -2.985 -0.791 1.00 0.00 H +ATOM 218 HB3 SER A 14 4.431 -3.871 -2.241 1.00 0.00 H +ATOM 219 HG SER A 14 3.520 -5.494 -0.884 1.00 0.00 H +ATOM 220 N GLY A 15 8.256 -3.783 -1.226 1.00 0.00 N +ATOM 221 CA GLY A 15 9.384 -3.115 -1.892 1.00 0.00 C +ATOM 222 C GLY A 15 9.136 -1.644 -2.261 1.00 0.00 C +ATOM 223 O GLY A 15 9.906 -1.080 -3.037 1.00 0.00 O +ATOM 224 H GLY A 15 8.354 -4.097 -0.270 1.00 0.00 H +ATOM 225 HA2 GLY A 15 10.260 -3.161 -1.246 1.00 0.00 H +ATOM 226 HA3 GLY A 15 9.616 -3.654 -2.812 1.00 0.00 H +ATOM 227 N ARG A 16 8.071 -1.022 -1.733 1.00 0.00 N +ATOM 228 CA ARG A 16 7.620 0.333 -2.073 1.00 0.00 C +ATOM 229 C ARG A 16 7.039 1.042 -0.836 1.00 0.00 C +ATOM 230 O ARG A 16 6.265 0.407 -0.118 1.00 0.00 O +ATOM 231 CB ARG A 16 6.558 0.205 -3.182 1.00 0.00 C +ATOM 232 CG ARG A 16 6.146 1.562 -3.766 1.00 0.00 C +ATOM 233 CD ARG A 16 5.085 1.404 -4.861 1.00 0.00 C +ATOM 234 NE ARG A 16 5.279 2.408 -5.922 1.00 0.00 N +ATOM 235 CZ ARG A 16 4.427 2.749 -6.879 1.00 0.00 C +ATOM 236 NH1 ARG A 16 3.214 2.253 -6.941 1.00 0.00 N +ATOM 237 NH2 ARG A 16 4.794 3.604 -7.805 1.00 0.00 N +ATOM 238 H ARG A 16 7.498 -1.558 -1.093 1.00 0.00 H +ATOM 239 HA ARG A 16 8.474 0.889 -2.457 1.00 0.00 H +ATOM 240 HB2 ARG A 16 6.958 -0.402 -3.972 1.00 0.00 H +ATOM 241 HB3 ARG A 16 5.678 -0.308 -2.787 1.00 0.00 H +ATOM 242 HG2 ARG A 16 5.747 2.173 -2.980 1.00 0.00 H +ATOM 243 HG3 ARG A 16 7.035 2.033 -4.183 1.00 0.00 H +ATOM 244 HD2 ARG A 16 5.162 0.422 -5.287 1.00 0.00 H +ATOM 245 HD3 ARG A 16 4.099 1.511 -4.406 1.00 0.00 H +ATOM 246 HE ARG A 16 6.183 2.845 -5.952 1.00 0.00 H +ATOM 247 HH11 ARG A 16 2.943 1.589 -6.236 1.00 0.00 H +ATOM 248 HH12 ARG A 16 2.578 2.515 -7.670 1.00 0.00 H +ATOM 249 HH21 ARG A 16 5.722 3.990 -7.801 1.00 0.00 H +ATOM 250 HH22 ARG A 16 4.153 3.860 -8.532 1.00 0.00 H +ATOM 251 N PRO A 17 7.339 2.336 -0.597 1.00 0.00 N +ATOM 252 CA PRO A 17 6.761 3.096 0.517 1.00 0.00 C +ATOM 253 C PRO A 17 5.236 3.291 0.376 1.00 0.00 C +ATOM 254 O PRO A 17 4.700 3.157 -0.728 1.00 0.00 O +ATOM 255 CB PRO A 17 7.502 4.441 0.515 1.00 0.00 C +ATOM 256 CG PRO A 17 7.925 4.615 -0.941 1.00 0.00 C +ATOM 257 CD PRO A 17 8.240 3.185 -1.367 1.00 0.00 C +ATOM 258 HA PRO A 17 6.966 2.571 1.450 1.00 0.00 H +ATOM 259 HB2 PRO A 17 6.852 5.237 0.823 1.00 0.00 H +ATOM 260 HB3 PRO A 17 8.390 4.367 1.144 1.00 0.00 H +ATOM 261 HG2 PRO A 17 7.129 5.028 -1.529 1.00 0.00 H +ATOM 262 HG3 PRO A 17 8.791 5.270 -1.039 1.00 0.00 H +ATOM 263 HD2 PRO A 17 8.064 3.060 -2.418 1.00 0.00 H +ATOM 264 HD3 PRO A 17 9.272 2.943 -1.108 1.00 0.00 H +ATOM 265 N PRO A 18 4.530 3.634 1.472 1.00 0.00 N +ATOM 266 CA PRO A 18 3.086 3.848 1.449 1.00 0.00 C +ATOM 267 C PRO A 18 2.698 5.104 0.650 1.00 0.00 C +ATOM 268 O PRO A 18 3.420 6.101 0.687 1.00 0.00 O +ATOM 269 CB PRO A 18 2.662 3.983 2.913 1.00 0.00 C +ATOM 270 CG PRO A 18 3.925 4.461 3.623 1.00 0.00 C +ATOM 271 CD PRO A 18 5.046 3.799 2.825 1.00 0.00 C +ATOM 272 HA PRO A 18 2.610 2.974 1.015 1.00 0.00 H +ATOM 273 HB2 PRO A 18 1.872 4.701 3.016 1.00 0.00 H +ATOM 274 HB3 PRO A 18 2.373 3.010 3.303 1.00 0.00 H +ATOM 275 HG2 PRO A 18 4.006 5.530 3.586 1.00 0.00 H +ATOM 276 HG3 PRO A 18 3.940 4.157 4.670 1.00 0.00 H +ATOM 277 HD2 PRO A 18 5.918 4.424 2.818 1.00 0.00 H +ATOM 278 HD3 PRO A 18 5.270 2.821 3.248 1.00 0.00 H +ATOM 279 N PRO A 19 1.537 5.098 -0.033 1.00 0.00 N +ATOM 280 CA PRO A 19 1.010 6.280 -0.696 1.00 0.00 C +ATOM 281 C PRO A 19 0.436 7.257 0.342 1.00 0.00 C +ATOM 282 O PRO A 19 -0.227 6.870 1.309 1.00 0.00 O +ATOM 283 CB PRO A 19 -0.043 5.743 -1.671 1.00 0.00 C +ATOM 284 CG PRO A 19 -0.579 4.494 -0.969 1.00 0.00 C +ATOM 285 CD PRO A 19 0.631 3.970 -0.196 1.00 0.00 C +ATOM 286 HA PRO A 19 1.802 6.778 -1.258 1.00 0.00 H +ATOM 287 HB2 PRO A 19 -0.825 6.462 -1.825 1.00 0.00 H +ATOM 288 HB3 PRO A 19 0.453 5.447 -2.598 1.00 0.00 H +ATOM 289 HG2 PRO A 19 -1.381 4.744 -0.302 1.00 0.00 H +ATOM 290 HG3 PRO A 19 -0.944 3.756 -1.684 1.00 0.00 H +ATOM 291 HD2 PRO A 19 0.326 3.598 0.763 1.00 0.00 H +ATOM 292 HD3 PRO A 19 1.130 3.194 -0.777 1.00 0.00 H +ATOM 293 N SER A 20 0.706 8.552 0.169 1.00 0.00 N +ATOM 294 CA SER A 20 0.162 9.640 0.988 1.00 0.00 C +ATOM 295 C SER A 20 -0.066 10.872 0.126 1.00 0.00 C +ATOM 296 O SER A 20 0.918 11.303 -0.513 1.00 0.00 O +ATOM 297 CB SER A 20 1.092 9.931 2.166 1.00 0.00 C +ATOM 298 OG SER A 20 1.001 8.805 3.014 1.00 0.00 O +ATOM 299 OXT SER A 20 -1.239 11.304 0.086 1.00 0.00 O +ATOM 300 H SER A 20 1.318 8.846 -0.582 1.00 0.00 H +ATOM 301 HA SER A 20 -0.816 9.367 1.381 1.00 0.00 H +ATOM 302 HB2 SER A 20 2.100 10.060 1.823 1.00 0.00 H +ATOM 303 HB3 SER A 20 0.767 10.828 2.696 1.00 0.00 H +ATOM 304 HG SER A 20 0.609 8.093 2.479 1.00 0.00 H +TER 305 SER A 20 +ENDMDL +MODEL 19 +ATOM 1 N ASN A 1 -4.711 8.428 -0.250 1.00 0.00 N +ATOM 2 CA ASN A 1 -5.482 7.459 -1.069 1.00 0.00 C +ATOM 3 C ASN A 1 -4.637 6.216 -1.384 1.00 0.00 C +ATOM 4 O ASN A 1 -3.508 6.151 -0.914 1.00 0.00 O +ATOM 5 CB ASN A 1 -6.058 8.123 -2.332 1.00 0.00 C +ATOM 6 CG ASN A 1 -7.308 7.368 -2.763 1.00 0.00 C +ATOM 7 OD1 ASN A 1 -8.229 7.219 -1.982 1.00 0.00 O +ATOM 8 ND2 ASN A 1 -7.347 6.788 -3.948 1.00 0.00 N +ATOM 9 H1 ASN A 1 -4.276 7.945 0.525 1.00 0.00 H +ATOM 10 H2 ASN A 1 -3.969 8.859 -0.792 1.00 0.00 H +ATOM 11 H3 ASN A 1 -5.313 9.159 0.105 1.00 0.00 H +ATOM 12 HA ASN A 1 -6.326 7.121 -0.463 1.00 0.00 H +ATOM 13 HB2 ASN A 1 -6.310 9.144 -2.119 1.00 0.00 H +ATOM 14 HB3 ASN A 1 -5.314 8.139 -3.131 1.00 0.00 H +ATOM 15 HD21 ASN A 1 -6.635 6.892 -4.653 1.00 0.00 H +ATOM 16 HD22 ASN A 1 -8.230 6.344 -4.151 1.00 0.00 H +ATOM 17 N LEU A 2 -5.165 5.225 -2.127 1.00 0.00 N +ATOM 18 CA LEU A 2 -4.498 3.973 -2.561 1.00 0.00 C +ATOM 19 C LEU A 2 -3.959 3.039 -1.451 1.00 0.00 C +ATOM 20 O LEU A 2 -3.474 1.944 -1.745 1.00 0.00 O +ATOM 21 CB LEU A 2 -3.435 4.298 -3.639 1.00 0.00 C +ATOM 22 CG LEU A 2 -4.002 4.275 -5.079 1.00 0.00 C +ATOM 23 CD1 LEU A 2 -3.796 5.613 -5.794 1.00 0.00 C +ATOM 24 CD2 LEU A 2 -3.342 3.164 -5.900 1.00 0.00 C +ATOM 25 H LEU A 2 -6.111 5.349 -2.465 1.00 0.00 H +ATOM 26 HA LEU A 2 -5.264 3.362 -3.041 1.00 0.00 H +ATOM 27 HB2 LEU A 2 -3.039 5.276 -3.444 1.00 0.00 H +ATOM 28 HB3 LEU A 2 -2.623 3.573 -3.570 1.00 0.00 H +ATOM 29 HG LEU A 2 -5.074 4.082 -5.054 1.00 0.00 H +ATOM 30 HD11 LEU A 2 -4.302 6.407 -5.250 1.00 0.00 H +ATOM 31 HD12 LEU A 2 -2.731 5.843 -5.862 1.00 0.00 H +ATOM 32 HD13 LEU A 2 -4.209 5.556 -6.802 1.00 0.00 H +ATOM 33 HD21 LEU A 2 -2.271 3.350 -5.990 1.00 0.00 H +ATOM 34 HD22 LEU A 2 -3.499 2.202 -5.413 1.00 0.00 H +ATOM 35 HD23 LEU A 2 -3.782 3.126 -6.897 1.00 0.00 H +ATOM 36 N TYR A 3 -4.101 3.418 -0.179 1.00 0.00 N +ATOM 37 CA TYR A 3 -3.547 2.721 0.982 1.00 0.00 C +ATOM 38 C TYR A 3 -4.035 1.268 1.120 1.00 0.00 C +ATOM 39 O TYR A 3 -3.246 0.381 1.446 1.00 0.00 O +ATOM 40 CB TYR A 3 -3.866 3.547 2.234 1.00 0.00 C +ATOM 41 CG TYR A 3 -2.864 3.337 3.348 1.00 0.00 C +ATOM 42 CD1 TYR A 3 -1.722 4.158 3.414 1.00 0.00 C +ATOM 43 CD2 TYR A 3 -3.059 2.315 4.297 1.00 0.00 C +ATOM 44 CE1 TYR A 3 -0.764 3.952 4.424 1.00 0.00 C +ATOM 45 CE2 TYR A 3 -2.106 2.111 5.311 1.00 0.00 C +ATOM 46 CZ TYR A 3 -0.953 2.921 5.370 1.00 0.00 C +ATOM 47 OH TYR A 3 -0.015 2.685 6.326 1.00 0.00 O +ATOM 48 H TYR A 3 -4.435 4.356 -0.036 1.00 0.00 H +ATOM 49 HA TYR A 3 -2.464 2.693 0.862 1.00 0.00 H +ATOM 50 HB2 TYR A 3 -3.869 4.586 1.967 1.00 0.00 H +ATOM 51 HB3 TYR A 3 -4.870 3.311 2.589 1.00 0.00 H +ATOM 52 HD1 TYR A 3 -1.570 4.949 2.689 1.00 0.00 H +ATOM 53 HD2 TYR A 3 -3.934 1.680 4.247 1.00 0.00 H +ATOM 54 HE1 TYR A 3 0.103 4.591 4.475 1.00 0.00 H +ATOM 55 HE2 TYR A 3 -2.233 1.337 6.051 1.00 0.00 H +ATOM 56 HH TYR A 3 0.804 3.144 6.139 1.00 0.00 H +ATOM 57 N ILE A 4 -5.316 1.007 0.820 1.00 0.00 N +ATOM 58 CA ILE A 4 -5.898 -0.342 0.812 1.00 0.00 C +ATOM 59 C ILE A 4 -5.161 -1.235 -0.200 1.00 0.00 C +ATOM 60 O ILE A 4 -4.707 -2.324 0.147 1.00 0.00 O +ATOM 61 CB ILE A 4 -7.424 -0.311 0.536 1.00 0.00 C +ATOM 62 CG1 ILE A 4 -8.202 0.658 1.464 1.00 0.00 C +ATOM 63 CG2 ILE A 4 -8.008 -1.726 0.703 1.00 0.00 C +ATOM 64 CD1 ILE A 4 -8.481 2.022 0.816 1.00 0.00 C +ATOM 65 H ILE A 4 -5.901 1.792 0.575 1.00 0.00 H +ATOM 66 HA ILE A 4 -5.743 -0.778 1.800 1.00 0.00 H +ATOM 67 HB ILE A 4 -7.593 -0.010 -0.501 1.00 0.00 H +ATOM 68 HG12 ILE A 4 -9.140 0.204 1.722 1.00 0.00 H +ATOM 69 HG13 ILE A 4 -7.659 0.801 2.399 1.00 0.00 H +ATOM 70 HG21 ILE A 4 -7.552 -2.414 -0.005 1.00 0.00 H +ATOM 71 HG22 ILE A 4 -7.831 -2.089 1.719 1.00 0.00 H +ATOM 72 HG23 ILE A 4 -9.082 -1.713 0.513 1.00 0.00 H +ATOM 73 HD11 ILE A 4 -7.555 2.566 0.645 1.00 0.00 H +ATOM 74 HD12 ILE A 4 -9.003 1.881 -0.131 1.00 0.00 H +ATOM 75 HD13 ILE A 4 -9.118 2.609 1.477 1.00 0.00 H +ATOM 76 N GLN A 5 -5.005 -0.767 -1.445 1.00 0.00 N +ATOM 77 CA GLN A 5 -4.266 -1.471 -2.496 1.00 0.00 C +ATOM 78 C GLN A 5 -2.794 -1.703 -2.131 1.00 0.00 C +ATOM 79 O GLN A 5 -2.290 -2.798 -2.375 1.00 0.00 O +ATOM 80 CB GLN A 5 -4.404 -0.714 -3.831 1.00 0.00 C +ATOM 81 CG GLN A 5 -5.577 -1.242 -4.674 1.00 0.00 C +ATOM 82 CD GLN A 5 -5.172 -2.342 -5.657 1.00 0.00 C +ATOM 83 OE1 GLN A 5 -5.444 -2.266 -6.841 1.00 0.00 O +ATOM 84 NE2 GLN A 5 -4.511 -3.407 -5.235 1.00 0.00 N +ATOM 85 H GLN A 5 -5.339 0.164 -1.640 1.00 0.00 H +ATOM 86 HA GLN A 5 -4.705 -2.459 -2.606 1.00 0.00 H +ATOM 87 HB2 GLN A 5 -4.567 0.326 -3.624 1.00 0.00 H +ATOM 88 HB3 GLN A 5 -3.485 -0.802 -4.412 1.00 0.00 H +ATOM 89 HG2 GLN A 5 -6.322 -1.636 -4.010 1.00 0.00 H +ATOM 90 HG3 GLN A 5 -5.980 -0.410 -5.253 1.00 0.00 H +ATOM 91 HE21 GLN A 5 -4.079 -3.463 -4.327 1.00 0.00 H +ATOM 92 HE22 GLN A 5 -4.196 -3.952 -6.023 1.00 0.00 H +ATOM 93 N TRP A 6 -2.131 -0.715 -1.517 1.00 0.00 N +ATOM 94 CA TRP A 6 -0.771 -0.866 -0.989 1.00 0.00 C +ATOM 95 C TRP A 6 -0.676 -1.954 0.096 1.00 0.00 C +ATOM 96 O TRP A 6 0.217 -2.804 0.034 1.00 0.00 O +ATOM 97 CB TRP A 6 -0.278 0.492 -0.481 1.00 0.00 C +ATOM 98 CG TRP A 6 1.076 0.483 0.156 1.00 0.00 C +ATOM 99 CD1 TRP A 6 2.258 0.449 -0.500 1.00 0.00 C +ATOM 100 CD2 TRP A 6 1.409 0.516 1.577 1.00 0.00 C +ATOM 101 NE1 TRP A 6 3.295 0.438 0.415 1.00 0.00 N +ATOM 102 CE2 TRP A 6 2.830 0.499 1.706 1.00 0.00 C +ATOM 103 CE3 TRP A 6 0.660 0.554 2.771 1.00 0.00 C +ATOM 104 CZ2 TRP A 6 3.479 0.537 2.947 1.00 0.00 C +ATOM 105 CZ3 TRP A 6 1.299 0.565 4.026 1.00 0.00 C +ATOM 106 CH2 TRP A 6 2.703 0.571 4.116 1.00 0.00 C +ATOM 107 H TRP A 6 -2.609 0.176 -1.403 1.00 0.00 H +ATOM 108 HA TRP A 6 -0.117 -1.181 -1.802 1.00 0.00 H +ATOM 109 HB2 TRP A 6 -0.248 1.167 -1.315 1.00 0.00 H +ATOM 110 HB3 TRP A 6 -0.989 0.883 0.245 1.00 0.00 H +ATOM 111 HD1 TRP A 6 2.367 0.437 -1.575 1.00 0.00 H +ATOM 112 HE1 TRP A 6 4.290 0.412 0.180 1.00 0.00 H +ATOM 113 HE3 TRP A 6 -0.419 0.574 2.716 1.00 0.00 H +ATOM 114 HZ2 TRP A 6 4.558 0.526 2.988 1.00 0.00 H +ATOM 115 HZ3 TRP A 6 0.705 0.572 4.929 1.00 0.00 H +ATOM 116 HH2 TRP A 6 3.181 0.592 5.084 1.00 0.00 H +ATOM 117 N LEU A 7 -1.612 -1.982 1.056 1.00 0.00 N +ATOM 118 CA LEU A 7 -1.688 -3.061 2.044 1.00 0.00 C +ATOM 119 C LEU A 7 -1.950 -4.430 1.398 1.00 0.00 C +ATOM 120 O LEU A 7 -1.263 -5.384 1.758 1.00 0.00 O +ATOM 121 CB LEU A 7 -2.739 -2.752 3.125 1.00 0.00 C +ATOM 122 CG LEU A 7 -2.322 -1.677 4.150 1.00 0.00 C +ATOM 123 CD1 LEU A 7 -3.497 -1.435 5.104 1.00 0.00 C +ATOM 124 CD2 LEU A 7 -1.106 -2.095 4.988 1.00 0.00 C +ATOM 125 H LEU A 7 -2.302 -1.233 1.088 1.00 0.00 H +ATOM 126 HA LEU A 7 -0.712 -3.148 2.521 1.00 0.00 H +ATOM 127 HB2 LEU A 7 -3.632 -2.416 2.635 1.00 0.00 H +ATOM 128 HB3 LEU A 7 -2.947 -3.672 3.673 1.00 0.00 H +ATOM 129 HG LEU A 7 -2.094 -0.746 3.637 1.00 0.00 H +ATOM 130 HD11 LEU A 7 -4.353 -1.060 4.542 1.00 0.00 H +ATOM 131 HD12 LEU A 7 -3.770 -2.364 5.605 1.00 0.00 H +ATOM 132 HD13 LEU A 7 -3.222 -0.700 5.856 1.00 0.00 H +ATOM 133 HD21 LEU A 7 -1.285 -3.061 5.457 1.00 0.00 H +ATOM 134 HD22 LEU A 7 -0.217 -2.154 4.362 1.00 0.00 H +ATOM 135 HD23 LEU A 7 -0.919 -1.351 5.762 1.00 0.00 H +ATOM 136 N LYS A 8 -2.879 -4.534 0.430 1.00 0.00 N +ATOM 137 CA LYS A 8 -3.176 -5.792 -0.293 1.00 0.00 C +ATOM 138 C LYS A 8 -1.940 -6.427 -0.932 1.00 0.00 C +ATOM 139 O LYS A 8 -1.861 -7.649 -0.988 1.00 0.00 O +ATOM 140 CB LYS A 8 -4.234 -5.580 -1.389 1.00 0.00 C +ATOM 141 CG LYS A 8 -5.650 -5.363 -0.841 1.00 0.00 C +ATOM 142 CD LYS A 8 -6.641 -4.855 -1.906 1.00 0.00 C +ATOM 143 CE LYS A 8 -7.271 -5.959 -2.767 1.00 0.00 C +ATOM 144 NZ LYS A 8 -6.386 -6.423 -3.863 1.00 0.00 N +ATOM 145 H LYS A 8 -3.427 -3.700 0.224 1.00 0.00 H +ATOM 146 HA LYS A 8 -3.550 -6.525 0.424 1.00 0.00 H +ATOM 147 HB2 LYS A 8 -3.957 -4.718 -1.966 1.00 0.00 H +ATOM 148 HB3 LYS A 8 -4.252 -6.467 -2.023 1.00 0.00 H +ATOM 149 HG2 LYS A 8 -6.013 -6.296 -0.455 1.00 0.00 H +ATOM 150 HG3 LYS A 8 -5.609 -4.626 -0.042 1.00 0.00 H +ATOM 151 HD2 LYS A 8 -7.431 -4.329 -1.405 1.00 0.00 H +ATOM 152 HD3 LYS A 8 -6.171 -4.105 -2.541 1.00 0.00 H +ATOM 153 HE2 LYS A 8 -7.499 -6.796 -2.135 1.00 0.00 H +ATOM 154 HE3 LYS A 8 -8.193 -5.560 -3.199 1.00 0.00 H +ATOM 155 HZ1 LYS A 8 -6.162 -5.656 -4.484 1.00 0.00 H +ATOM 156 HZ2 LYS A 8 -5.528 -6.807 -3.488 1.00 0.00 H +ATOM 157 HZ3 LYS A 8 -6.850 -7.145 -4.401 1.00 0.00 H +ATOM 158 N ASP A 9 -1.006 -5.612 -1.428 1.00 0.00 N +ATOM 159 CA ASP A 9 0.249 -6.089 -2.012 1.00 0.00 C +ATOM 160 C ASP A 9 1.195 -6.700 -0.957 1.00 0.00 C +ATOM 161 O ASP A 9 1.906 -7.655 -1.257 1.00 0.00 O +ATOM 162 CB ASP A 9 0.908 -4.913 -2.751 1.00 0.00 C +ATOM 163 CG ASP A 9 1.926 -5.376 -3.792 1.00 0.00 C +ATOM 164 OD1 ASP A 9 3.079 -5.637 -3.380 1.00 0.00 O +ATOM 165 OD2 ASP A 9 1.557 -5.417 -4.986 1.00 0.00 O +ATOM 166 H ASP A 9 -1.181 -4.614 -1.403 1.00 0.00 H +ATOM 167 HA ASP A 9 0.021 -6.868 -2.743 1.00 0.00 H +ATOM 168 HB2 ASP A 9 0.144 -4.345 -3.245 1.00 0.00 H +ATOM 169 HB3 ASP A 9 1.399 -4.255 -2.030 1.00 0.00 H +ATOM 170 N GLY A 10 1.167 -6.180 0.281 1.00 0.00 N +ATOM 171 CA GLY A 10 2.093 -6.534 1.364 1.00 0.00 C +ATOM 172 C GLY A 10 2.641 -5.339 2.162 1.00 0.00 C +ATOM 173 O GLY A 10 3.484 -5.529 3.044 1.00 0.00 O +ATOM 174 H GLY A 10 0.409 -5.539 0.486 1.00 0.00 H +ATOM 175 HA2 GLY A 10 1.576 -7.194 2.060 1.00 0.00 H +ATOM 176 HA3 GLY A 10 2.946 -7.076 0.955 1.00 0.00 H +ATOM 177 N GLY A 11 2.182 -4.110 1.882 1.00 0.00 N +ATOM 178 CA GLY A 11 2.599 -2.906 2.599 1.00 0.00 C +ATOM 179 C GLY A 11 4.124 -2.698 2.547 1.00 0.00 C +ATOM 180 O GLY A 11 4.696 -2.700 1.453 1.00 0.00 O +ATOM 181 H GLY A 11 1.532 -3.983 1.113 1.00 0.00 H +ATOM 182 HA2 GLY A 11 2.116 -2.047 2.140 1.00 0.00 H +ATOM 183 HA3 GLY A 11 2.249 -2.984 3.627 1.00 0.00 H +ATOM 184 N PRO A 12 4.822 -2.540 3.693 1.00 0.00 N +ATOM 185 CA PRO A 12 6.282 -2.419 3.719 1.00 0.00 C +ATOM 186 C PRO A 12 7.024 -3.621 3.110 1.00 0.00 C +ATOM 187 O PRO A 12 8.145 -3.463 2.631 1.00 0.00 O +ATOM 188 CB PRO A 12 6.668 -2.252 5.194 1.00 0.00 C +ATOM 189 CG PRO A 12 5.381 -1.788 5.872 1.00 0.00 C +ATOM 190 CD PRO A 12 4.292 -2.472 5.049 1.00 0.00 C +ATOM 191 HA PRO A 12 6.564 -1.518 3.171 1.00 0.00 H +ATOM 192 HB2 PRO A 12 7.000 -3.185 5.608 1.00 0.00 H +ATOM 193 HB3 PRO A 12 7.469 -1.522 5.318 1.00 0.00 H +ATOM 194 HG2 PRO A 12 5.348 -2.107 6.896 1.00 0.00 H +ATOM 195 HG3 PRO A 12 5.287 -0.705 5.777 1.00 0.00 H +ATOM 196 HD2 PRO A 12 4.098 -3.457 5.427 1.00 0.00 H +ATOM 197 HD3 PRO A 12 3.371 -1.895 5.104 1.00 0.00 H +ATOM 198 N SER A 13 6.411 -4.816 3.098 1.00 0.00 N +ATOM 199 CA SER A 13 7.038 -6.057 2.614 1.00 0.00 C +ATOM 200 C SER A 13 7.028 -6.197 1.080 1.00 0.00 C +ATOM 201 O SER A 13 7.416 -7.241 0.562 1.00 0.00 O +ATOM 202 CB SER A 13 6.390 -7.277 3.283 1.00 0.00 C +ATOM 203 OG SER A 13 6.567 -7.211 4.686 1.00 0.00 O +ATOM 204 H SER A 13 5.434 -4.862 3.375 1.00 0.00 H +ATOM 205 HA SER A 13 8.085 -6.051 2.913 1.00 0.00 H +ATOM 206 HB2 SER A 13 5.341 -7.291 3.057 1.00 0.00 H +ATOM 207 HB3 SER A 13 6.867 -8.188 2.919 1.00 0.00 H +ATOM 208 HG SER A 13 6.098 -6.440 5.015 1.00 0.00 H +ATOM 209 N SER A 14 6.620 -5.147 0.358 1.00 0.00 N +ATOM 210 CA SER A 14 6.465 -5.116 -1.104 1.00 0.00 C +ATOM 211 C SER A 14 7.520 -4.277 -1.839 1.00 0.00 C +ATOM 212 O SER A 14 7.383 -4.035 -3.039 1.00 0.00 O +ATOM 213 CB SER A 14 5.072 -4.582 -1.431 1.00 0.00 C +ATOM 214 OG SER A 14 4.112 -5.580 -1.231 1.00 0.00 O +ATOM 215 H SER A 14 6.276 -4.349 0.876 1.00 0.00 H +ATOM 216 HA SER A 14 6.531 -6.130 -1.502 1.00 0.00 H +ATOM 217 HB2 SER A 14 4.854 -3.747 -0.793 1.00 0.00 H +ATOM 218 HB3 SER A 14 5.022 -4.287 -2.477 1.00 0.00 H +ATOM 219 HG SER A 14 3.651 -5.690 -2.148 1.00 0.00 H +ATOM 220 N GLY A 15 8.549 -3.780 -1.139 1.00 0.00 N +ATOM 221 CA GLY A 15 9.587 -2.933 -1.741 1.00 0.00 C +ATOM 222 C GLY A 15 9.096 -1.536 -2.151 1.00 0.00 C +ATOM 223 O GLY A 15 9.726 -0.894 -2.987 1.00 0.00 O +ATOM 224 H GLY A 15 8.618 -4.033 -0.161 1.00 0.00 H +ATOM 225 HA2 GLY A 15 10.410 -2.813 -1.039 1.00 0.00 H +ATOM 226 HA3 GLY A 15 9.975 -3.426 -2.634 1.00 0.00 H +ATOM 227 N ARG A 16 7.969 -1.073 -1.587 1.00 0.00 N +ATOM 228 CA ARG A 16 7.285 0.177 -1.944 1.00 0.00 C +ATOM 229 C ARG A 16 6.807 0.935 -0.691 1.00 0.00 C +ATOM 230 O ARG A 16 6.125 0.336 0.145 1.00 0.00 O +ATOM 231 CB ARG A 16 6.131 -0.110 -2.930 1.00 0.00 C +ATOM 232 CG ARG A 16 5.136 -1.187 -2.454 1.00 0.00 C +ATOM 233 CD ARG A 16 3.995 -1.438 -3.443 1.00 0.00 C +ATOM 234 NE ARG A 16 4.473 -2.075 -4.685 1.00 0.00 N +ATOM 235 CZ ARG A 16 4.016 -1.881 -5.916 1.00 0.00 C +ATOM 236 NH1 ARG A 16 3.041 -1.038 -6.174 1.00 0.00 N +ATOM 237 NH2 ARG A 16 4.543 -2.530 -6.926 1.00 0.00 N +ATOM 238 H ARG A 16 7.539 -1.660 -0.885 1.00 0.00 H +ATOM 239 HA ARG A 16 8.004 0.797 -2.475 1.00 0.00 H +ATOM 240 HB2 ARG A 16 5.588 0.802 -3.085 1.00 0.00 H +ATOM 241 HB3 ARG A 16 6.569 -0.435 -3.874 1.00 0.00 H +ATOM 242 HG2 ARG A 16 5.671 -2.106 -2.312 1.00 0.00 H +ATOM 243 HG3 ARG A 16 4.696 -0.891 -1.507 1.00 0.00 H +ATOM 244 HD2 ARG A 16 3.270 -2.080 -2.981 1.00 0.00 H +ATOM 245 HD3 ARG A 16 3.510 -0.485 -3.654 1.00 0.00 H +ATOM 246 HE ARG A 16 5.199 -2.769 -4.574 1.00 0.00 H +ATOM 247 HH11 ARG A 16 2.612 -0.568 -5.400 1.00 0.00 H +ATOM 248 HH12 ARG A 16 2.697 -0.911 -7.106 1.00 0.00 H +ATOM 249 HH21 ARG A 16 5.261 -3.213 -6.759 1.00 0.00 H +ATOM 250 HH22 ARG A 16 4.184 -2.398 -7.852 1.00 0.00 H +ATOM 251 N PRO A 17 7.131 2.235 -0.537 1.00 0.00 N +ATOM 252 CA PRO A 17 6.706 3.032 0.616 1.00 0.00 C +ATOM 253 C PRO A 17 5.183 3.290 0.607 1.00 0.00 C +ATOM 254 O PRO A 17 4.540 3.099 -0.429 1.00 0.00 O +ATOM 255 CB PRO A 17 7.514 4.332 0.509 1.00 0.00 C +ATOM 256 CG PRO A 17 7.726 4.499 -0.992 1.00 0.00 C +ATOM 257 CD PRO A 17 7.879 3.059 -1.478 1.00 0.00 C +ATOM 258 HA PRO A 17 6.972 2.511 1.537 1.00 0.00 H +ATOM 259 HB2 PRO A 17 6.963 5.160 0.913 1.00 0.00 H +ATOM 260 HB3 PRO A 17 8.479 4.197 1.000 1.00 0.00 H +ATOM 261 HG2 PRO A 17 6.880 4.973 -1.451 1.00 0.00 H +ATOM 262 HG3 PRO A 17 8.611 5.095 -1.213 1.00 0.00 H +ATOM 263 HD2 PRO A 17 7.476 2.955 -2.467 1.00 0.00 H +ATOM 264 HD3 PRO A 17 8.931 2.771 -1.454 1.00 0.00 H +ATOM 265 N PRO A 18 4.594 3.738 1.736 1.00 0.00 N +ATOM 266 CA PRO A 18 3.165 4.041 1.816 1.00 0.00 C +ATOM 267 C PRO A 18 2.783 5.192 0.871 1.00 0.00 C +ATOM 268 O PRO A 18 3.492 6.199 0.824 1.00 0.00 O +ATOM 269 CB PRO A 18 2.894 4.397 3.281 1.00 0.00 C +ATOM 270 CG PRO A 18 4.254 4.847 3.808 1.00 0.00 C +ATOM 271 CD PRO A 18 5.233 3.978 3.023 1.00 0.00 C +ATOM 272 HA PRO A 18 2.603 3.146 1.565 1.00 0.00 H +ATOM 273 HB2 PRO A 18 2.175 5.190 3.354 1.00 0.00 H +ATOM 274 HB3 PRO A 18 2.571 3.506 3.818 1.00 0.00 H +ATOM 275 HG2 PRO A 18 4.419 5.889 3.610 1.00 0.00 H +ATOM 276 HG3 PRO A 18 4.347 4.691 4.883 1.00 0.00 H +ATOM 277 HD2 PRO A 18 6.166 4.491 2.889 1.00 0.00 H +ATOM 278 HD3 PRO A 18 5.375 3.027 3.537 1.00 0.00 H +ATOM 279 N PRO A 19 1.669 5.075 0.121 1.00 0.00 N +ATOM 280 CA PRO A 19 1.193 6.145 -0.742 1.00 0.00 C +ATOM 281 C PRO A 19 0.412 7.189 0.066 1.00 0.00 C +ATOM 282 O PRO A 19 -0.366 6.839 0.959 1.00 0.00 O +ATOM 283 CB PRO A 19 0.286 5.445 -1.758 1.00 0.00 C +ATOM 284 CG PRO A 19 -0.334 4.311 -0.945 1.00 0.00 C +ATOM 285 CD PRO A 19 0.787 3.922 0.021 1.00 0.00 C +ATOM 286 HA PRO A 19 2.027 6.623 -1.257 1.00 0.00 H +ATOM 287 HB2 PRO A 19 -0.469 6.113 -2.125 1.00 0.00 H +ATOM 288 HB3 PRO A 19 0.899 5.024 -2.558 1.00 0.00 H +ATOM 289 HG2 PRO A 19 -1.202 4.649 -0.412 1.00 0.00 H +ATOM 290 HG3 PRO A 19 -0.632 3.479 -1.581 1.00 0.00 H +ATOM 291 HD2 PRO A 19 0.379 3.683 0.984 1.00 0.00 H +ATOM 292 HD3 PRO A 19 1.349 3.085 -0.391 1.00 0.00 H +ATOM 293 N SER A 20 0.545 8.452 -0.361 1.00 0.00 N +ATOM 294 CA SER A 20 -0.267 9.613 0.032 1.00 0.00 C +ATOM 295 C SER A 20 0.099 10.270 1.361 1.00 0.00 C +ATOM 296 O SER A 20 1.001 9.777 2.071 1.00 0.00 O +ATOM 297 CB SER A 20 -1.745 9.233 0.059 1.00 0.00 C +ATOM 298 OG SER A 20 -2.498 10.392 -0.203 1.00 0.00 O +ATOM 299 OXT SER A 20 -0.596 11.284 1.612 1.00 0.00 O +ATOM 300 H SER A 20 1.265 8.618 -1.047 1.00 0.00 H +ATOM 301 HA SER A 20 -0.121 10.385 -0.723 1.00 0.00 H +ATOM 302 HB2 SER A 20 -1.944 8.492 -0.691 1.00 0.00 H +ATOM 303 HB3 SER A 20 -1.994 8.859 1.055 1.00 0.00 H +ATOM 304 HG SER A 20 -2.028 11.083 0.314 1.00 0.00 H +TER 305 SER A 20 +ENDMDL +MODEL 20 +ATOM 1 N ASN A 1 -8.559 6.374 -1.226 1.00 0.00 N +ATOM 2 CA ASN A 1 -7.539 6.170 -0.168 1.00 0.00 C +ATOM 3 C ASN A 1 -6.191 5.649 -0.655 1.00 0.00 C +ATOM 4 O ASN A 1 -5.194 6.053 -0.072 1.00 0.00 O +ATOM 5 CB ASN A 1 -8.062 5.285 0.966 1.00 0.00 C +ATOM 6 CG ASN A 1 -8.992 6.102 1.840 1.00 0.00 C +ATOM 7 OD1 ASN A 1 -10.159 6.243 1.517 1.00 0.00 O +ATOM 8 ND2 ASN A 1 -8.488 6.730 2.886 1.00 0.00 N +ATOM 9 H1 ASN A 1 -8.207 6.992 -1.945 1.00 0.00 H +ATOM 10 H2 ASN A 1 -8.827 5.491 -1.639 1.00 0.00 H +ATOM 11 H3 ASN A 1 -9.389 6.786 -0.814 1.00 0.00 H +ATOM 12 HA ASN A 1 -7.316 7.145 0.269 1.00 0.00 H +ATOM 13 HB2 ASN A 1 -8.596 4.450 0.554 1.00 0.00 H +ATOM 14 HB3 ASN A 1 -7.238 4.906 1.572 1.00 0.00 H +ATOM 15 HD21 ASN A 1 -7.518 6.672 3.157 1.00 0.00 H +ATOM 16 HD22 ASN A 1 -9.151 7.262 3.426 1.00 0.00 H +ATOM 17 N LEU A 2 -6.126 4.735 -1.642 1.00 0.00 N +ATOM 18 CA LEU A 2 -4.891 4.125 -2.180 1.00 0.00 C +ATOM 19 C LEU A 2 -4.153 3.176 -1.204 1.00 0.00 C +ATOM 20 O LEU A 2 -3.597 2.164 -1.636 1.00 0.00 O +ATOM 21 CB LEU A 2 -3.962 5.228 -2.759 1.00 0.00 C +ATOM 22 CG LEU A 2 -3.563 5.018 -4.237 1.00 0.00 C +ATOM 23 CD1 LEU A 2 -3.974 6.221 -5.092 1.00 0.00 C +ATOM 24 CD2 LEU A 2 -2.055 4.808 -4.389 1.00 0.00 C +ATOM 25 H LEU A 2 -6.972 4.387 -2.062 1.00 0.00 H +ATOM 26 HA LEU A 2 -5.209 3.487 -3.002 1.00 0.00 H +ATOM 27 HB2 LEU A 2 -4.470 6.170 -2.679 1.00 0.00 H +ATOM 28 HB3 LEU A 2 -3.068 5.296 -2.140 1.00 0.00 H +ATOM 29 HG LEU A 2 -4.066 4.139 -4.638 1.00 0.00 H +ATOM 30 HD11 LEU A 2 -5.024 6.461 -4.923 1.00 0.00 H +ATOM 31 HD12 LEU A 2 -3.363 7.091 -4.843 1.00 0.00 H +ATOM 32 HD13 LEU A 2 -3.839 5.983 -6.147 1.00 0.00 H +ATOM 33 HD21 LEU A 2 -1.524 5.712 -4.089 1.00 0.00 H +ATOM 34 HD22 LEU A 2 -1.743 3.967 -3.772 1.00 0.00 H +ATOM 35 HD23 LEU A 2 -1.820 4.596 -5.432 1.00 0.00 H +ATOM 36 N TYR A 3 -4.202 3.452 0.106 1.00 0.00 N +ATOM 37 CA TYR A 3 -3.575 2.669 1.174 1.00 0.00 C +ATOM 38 C TYR A 3 -4.020 1.200 1.203 1.00 0.00 C +ATOM 39 O TYR A 3 -3.195 0.322 1.447 1.00 0.00 O +ATOM 40 CB TYR A 3 -3.843 3.340 2.530 1.00 0.00 C +ATOM 41 CG TYR A 3 -2.673 3.212 3.480 1.00 0.00 C +ATOM 42 CD1 TYR A 3 -2.543 2.088 4.320 1.00 0.00 C +ATOM 43 CD2 TYR A 3 -1.689 4.217 3.496 1.00 0.00 C +ATOM 44 CE1 TYR A 3 -1.427 1.974 5.172 1.00 0.00 C +ATOM 45 CE2 TYR A 3 -0.574 4.112 4.346 1.00 0.00 C +ATOM 46 CZ TYR A 3 -0.438 2.983 5.184 1.00 0.00 C +ATOM 47 OH TYR A 3 0.646 2.858 5.993 1.00 0.00 O +ATOM 48 H TYR A 3 -4.568 4.369 0.345 1.00 0.00 H +ATOM 49 HA TYR A 3 -2.498 2.677 1.000 1.00 0.00 H +ATOM 50 HB2 TYR A 3 -4.041 4.382 2.366 1.00 0.00 H +ATOM 51 HB3 TYR A 3 -4.737 2.911 2.988 1.00 0.00 H +ATOM 52 HD1 TYR A 3 -3.296 1.314 4.305 1.00 0.00 H +ATOM 53 HD2 TYR A 3 -1.794 5.082 2.856 1.00 0.00 H +ATOM 54 HE1 TYR A 3 -1.307 1.120 5.821 1.00 0.00 H +ATOM 55 HE2 TYR A 3 0.166 4.899 4.359 1.00 0.00 H +ATOM 56 HH TYR A 3 1.278 3.565 5.851 1.00 0.00 H +ATOM 57 N ILE A 4 -5.303 0.928 0.911 1.00 0.00 N +ATOM 58 CA ILE A 4 -5.843 -0.436 0.816 1.00 0.00 C +ATOM 59 C ILE A 4 -5.054 -1.237 -0.220 1.00 0.00 C +ATOM 60 O ILE A 4 -4.584 -2.327 0.084 1.00 0.00 O +ATOM 61 CB ILE A 4 -7.357 -0.449 0.483 1.00 0.00 C +ATOM 62 CG1 ILE A 4 -8.184 0.429 1.452 1.00 0.00 C +ATOM 63 CG2 ILE A 4 -7.909 -1.886 0.515 1.00 0.00 C +ATOM 64 CD1 ILE A 4 -8.655 1.719 0.779 1.00 0.00 C +ATOM 65 H ILE A 4 -5.915 1.709 0.742 1.00 0.00 H +ATOM 66 HA ILE A 4 -5.704 -0.925 1.782 1.00 0.00 H +ATOM 67 HB ILE A 4 -7.493 -0.077 -0.536 1.00 0.00 H +ATOM 68 HG12 ILE A 4 -9.042 -0.126 1.779 1.00 0.00 H +ATOM 69 HG13 ILE A 4 -7.595 0.676 2.336 1.00 0.00 H +ATOM 70 HG21 ILE A 4 -7.390 -2.519 -0.204 1.00 0.00 H +ATOM 71 HG22 ILE A 4 -7.795 -2.311 1.514 1.00 0.00 H +ATOM 72 HG23 ILE A 4 -8.968 -1.881 0.251 1.00 0.00 H +ATOM 73 HD11 ILE A 4 -7.807 2.246 0.343 1.00 0.00 H +ATOM 74 HD12 ILE A 4 -9.375 1.482 -0.007 1.00 0.00 H +ATOM 75 HD13 ILE A 4 -9.141 2.352 1.521 1.00 0.00 H +ATOM 76 N GLN A 5 -4.882 -0.682 -1.427 1.00 0.00 N +ATOM 77 CA GLN A 5 -4.187 -1.318 -2.543 1.00 0.00 C +ATOM 78 C GLN A 5 -2.715 -1.599 -2.195 1.00 0.00 C +ATOM 79 O GLN A 5 -2.236 -2.714 -2.401 1.00 0.00 O +ATOM 80 CB GLN A 5 -4.359 -0.428 -3.793 1.00 0.00 C +ATOM 81 CG GLN A 5 -4.481 -1.221 -5.109 1.00 0.00 C +ATOM 82 CD GLN A 5 -3.302 -1.006 -6.054 1.00 0.00 C +ATOM 83 OE1 GLN A 5 -2.144 -1.029 -5.666 1.00 0.00 O +ATOM 84 NE2 GLN A 5 -3.557 -0.777 -7.329 1.00 0.00 N +ATOM 85 H GLN A 5 -5.224 0.258 -1.562 1.00 0.00 H +ATOM 86 HA GLN A 5 -4.671 -2.279 -2.721 1.00 0.00 H +ATOM 87 HB2 GLN A 5 -5.247 0.161 -3.669 1.00 0.00 H +ATOM 88 HB3 GLN A 5 -3.541 0.293 -3.855 1.00 0.00 H +ATOM 89 HG2 GLN A 5 -4.542 -2.266 -4.873 1.00 0.00 H +ATOM 90 HG3 GLN A 5 -5.394 -0.897 -5.613 1.00 0.00 H +ATOM 91 HE21 GLN A 5 -4.491 -0.741 -7.700 1.00 0.00 H +ATOM 92 HE22 GLN A 5 -2.737 -0.694 -7.906 1.00 0.00 H +ATOM 93 N TRP A 6 -2.029 -0.624 -1.578 1.00 0.00 N +ATOM 94 CA TRP A 6 -0.665 -0.788 -1.058 1.00 0.00 C +ATOM 95 C TRP A 6 -0.556 -1.893 0.011 1.00 0.00 C +ATOM 96 O TRP A 6 0.331 -2.745 -0.077 1.00 0.00 O +ATOM 97 CB TRP A 6 -0.159 0.559 -0.523 1.00 0.00 C +ATOM 98 CG TRP A 6 1.225 0.523 0.051 1.00 0.00 C +ATOM 99 CD1 TRP A 6 2.372 0.435 -0.663 1.00 0.00 C +ATOM 100 CD2 TRP A 6 1.630 0.513 1.454 1.00 0.00 C +ATOM 101 NE1 TRP A 6 3.451 0.386 0.196 1.00 0.00 N +ATOM 102 CE2 TRP A 6 3.054 0.444 1.511 1.00 0.00 C +ATOM 103 CE3 TRP A 6 0.945 0.537 2.688 1.00 0.00 C +ATOM 104 CZ2 TRP A 6 3.767 0.433 2.717 1.00 0.00 C +ATOM 105 CZ3 TRP A 6 1.648 0.497 3.907 1.00 0.00 C +ATOM 106 CH2 TRP A 6 3.054 0.465 3.925 1.00 0.00 C +ATOM 107 H TRP A 6 -2.509 0.259 -1.436 1.00 0.00 H +ATOM 108 HA TRP A 6 -0.018 -1.090 -1.882 1.00 0.00 H +ATOM 109 HB2 TRP A 6 -0.168 1.265 -1.331 1.00 0.00 H +ATOM 110 HB3 TRP A 6 -0.840 0.912 0.252 1.00 0.00 H +ATOM 111 HD1 TRP A 6 2.432 0.386 -1.739 1.00 0.00 H +ATOM 112 HE1 TRP A 6 4.433 0.309 -0.087 1.00 0.00 H +ATOM 113 HE3 TRP A 6 -0.135 0.584 2.691 1.00 0.00 H +ATOM 114 HZ2 TRP A 6 4.847 0.386 2.702 1.00 0.00 H +ATOM 115 HZ3 TRP A 6 1.107 0.502 4.843 1.00 0.00 H +ATOM 116 HH2 TRP A 6 3.581 0.457 4.869 1.00 0.00 H +ATOM 117 N LEU A 7 -1.463 -1.916 0.999 1.00 0.00 N +ATOM 118 CA LEU A 7 -1.525 -3.000 1.984 1.00 0.00 C +ATOM 119 C LEU A 7 -1.822 -4.357 1.333 1.00 0.00 C +ATOM 120 O LEU A 7 -1.178 -5.338 1.700 1.00 0.00 O +ATOM 121 CB LEU A 7 -2.557 -2.691 3.086 1.00 0.00 C +ATOM 122 CG LEU A 7 -2.097 -1.666 4.139 1.00 0.00 C +ATOM 123 CD1 LEU A 7 -3.252 -1.407 5.113 1.00 0.00 C +ATOM 124 CD2 LEU A 7 -0.893 -2.152 4.958 1.00 0.00 C +ATOM 125 H LEU A 7 -2.157 -1.171 1.046 1.00 0.00 H +ATOM 126 HA LEU A 7 -0.541 -3.101 2.440 1.00 0.00 H +ATOM 127 HB2 LEU A 7 -3.443 -2.310 2.615 1.00 0.00 H +ATOM 128 HB3 LEU A 7 -2.794 -3.620 3.606 1.00 0.00 H +ATOM 129 HG LEU A 7 -1.835 -0.730 3.648 1.00 0.00 H +ATOM 130 HD11 LEU A 7 -4.113 -1.019 4.569 1.00 0.00 H +ATOM 131 HD12 LEU A 7 -3.533 -2.334 5.614 1.00 0.00 H +ATOM 132 HD13 LEU A 7 -2.951 -0.680 5.866 1.00 0.00 H +ATOM 133 HD21 LEU A 7 -1.114 -3.120 5.409 1.00 0.00 H +ATOM 134 HD22 LEU A 7 -0.012 -2.241 4.326 1.00 0.00 H +ATOM 135 HD23 LEU A 7 -0.668 -1.436 5.747 1.00 0.00 H +ATOM 136 N LYS A 8 -2.738 -4.419 0.353 1.00 0.00 N +ATOM 137 CA LYS A 8 -3.104 -5.647 -0.376 1.00 0.00 C +ATOM 138 C LYS A 8 -1.891 -6.322 -1.027 1.00 0.00 C +ATOM 139 O LYS A 8 -1.817 -7.547 -1.040 1.00 0.00 O +ATOM 140 CB LYS A 8 -4.205 -5.340 -1.415 1.00 0.00 C +ATOM 141 CG LYS A 8 -5.335 -6.380 -1.451 1.00 0.00 C +ATOM 142 CD LYS A 8 -4.972 -7.663 -2.207 1.00 0.00 C +ATOM 143 CE LYS A 8 -6.125 -8.664 -2.114 1.00 0.00 C +ATOM 144 NZ LYS A 8 -5.771 -9.943 -2.773 1.00 0.00 N +ATOM 145 H LYS A 8 -3.250 -3.563 0.145 1.00 0.00 H +ATOM 146 HA LYS A 8 -3.490 -6.354 0.358 1.00 0.00 H +ATOM 147 HB2 LYS A 8 -4.633 -4.384 -1.181 1.00 0.00 H +ATOM 148 HB3 LYS A 8 -3.770 -5.224 -2.411 1.00 0.00 H +ATOM 149 HG2 LYS A 8 -5.586 -6.642 -0.441 1.00 0.00 H +ATOM 150 HG3 LYS A 8 -6.197 -5.928 -1.944 1.00 0.00 H +ATOM 151 HD2 LYS A 8 -4.786 -7.429 -3.237 1.00 0.00 H +ATOM 152 HD3 LYS A 8 -4.085 -8.111 -1.765 1.00 0.00 H +ATOM 153 HE2 LYS A 8 -6.345 -8.851 -1.081 1.00 0.00 H +ATOM 154 HE3 LYS A 8 -7.012 -8.228 -2.581 1.00 0.00 H +ATOM 155 HZ1 LYS A 8 -5.589 -9.789 -3.756 1.00 0.00 H +ATOM 156 HZ2 LYS A 8 -4.937 -10.327 -2.348 1.00 0.00 H +ATOM 157 HZ3 LYS A 8 -6.525 -10.610 -2.677 1.00 0.00 H +ATOM 158 N ASP A 9 -0.939 -5.531 -1.526 1.00 0.00 N +ATOM 159 CA ASP A 9 0.321 -6.020 -2.093 1.00 0.00 C +ATOM 160 C ASP A 9 1.283 -6.607 -1.037 1.00 0.00 C +ATOM 161 O ASP A 9 2.139 -7.419 -1.377 1.00 0.00 O +ATOM 162 CB ASP A 9 0.989 -4.858 -2.850 1.00 0.00 C +ATOM 163 CG ASP A 9 1.796 -5.335 -4.057 1.00 0.00 C +ATOM 164 OD1 ASP A 9 1.163 -5.904 -4.975 1.00 0.00 O +ATOM 165 OD2 ASP A 9 3.019 -5.073 -4.070 1.00 0.00 O +ATOM 166 H ASP A 9 -1.118 -4.533 -1.538 1.00 0.00 H +ATOM 167 HA ASP A 9 0.090 -6.813 -2.809 1.00 0.00 H +ATOM 168 HB2 ASP A 9 0.226 -4.185 -3.190 1.00 0.00 H +ATOM 169 HB3 ASP A 9 1.629 -4.297 -2.165 1.00 0.00 H +ATOM 170 N GLY A 10 1.133 -6.217 0.240 1.00 0.00 N +ATOM 171 CA GLY A 10 2.010 -6.592 1.355 1.00 0.00 C +ATOM 172 C GLY A 10 2.573 -5.411 2.161 1.00 0.00 C +ATOM 173 O GLY A 10 3.398 -5.625 3.054 1.00 0.00 O +ATOM 174 H GLY A 10 0.303 -5.675 0.461 1.00 0.00 H +ATOM 175 HA2 GLY A 10 1.445 -7.224 2.039 1.00 0.00 H +ATOM 176 HA3 GLY A 10 2.855 -7.173 0.983 1.00 0.00 H +ATOM 177 N GLY A 11 2.155 -4.169 1.875 1.00 0.00 N +ATOM 178 CA GLY A 11 2.637 -2.966 2.554 1.00 0.00 C +ATOM 179 C GLY A 11 4.173 -2.844 2.510 1.00 0.00 C +ATOM 180 O GLY A 11 4.743 -2.864 1.419 1.00 0.00 O +ATOM 181 H GLY A 11 1.499 -4.036 1.112 1.00 0.00 H +ATOM 182 HA2 GLY A 11 2.212 -2.097 2.057 1.00 0.00 H +ATOM 183 HA3 GLY A 11 2.276 -2.984 3.579 1.00 0.00 H +ATOM 184 N PRO A 12 4.876 -2.729 3.659 1.00 0.00 N +ATOM 185 CA PRO A 12 6.341 -2.693 3.687 1.00 0.00 C +ATOM 186 C PRO A 12 7.005 -3.929 3.062 1.00 0.00 C +ATOM 187 O PRO A 12 8.095 -3.815 2.504 1.00 0.00 O +ATOM 188 CB PRO A 12 6.736 -2.568 5.165 1.00 0.00 C +ATOM 189 CG PRO A 12 5.479 -2.037 5.847 1.00 0.00 C +ATOM 190 CD PRO A 12 4.350 -2.640 5.013 1.00 0.00 C +ATOM 191 HA PRO A 12 6.678 -1.805 3.152 1.00 0.00 H +ATOM 192 HB2 PRO A 12 7.012 -3.524 5.567 1.00 0.00 H +ATOM 193 HB3 PRO A 12 7.579 -1.889 5.296 1.00 0.00 H +ATOM 194 HG2 PRO A 12 5.424 -2.369 6.866 1.00 0.00 H +ATOM 195 HG3 PRO A 12 5.453 -0.949 5.767 1.00 0.00 H +ATOM 196 HD2 PRO A 12 4.091 -3.614 5.380 1.00 0.00 H +ATOM 197 HD3 PRO A 12 3.468 -2.003 5.070 1.00 0.00 H +ATOM 198 N SER A 13 6.350 -5.101 3.114 1.00 0.00 N +ATOM 199 CA SER A 13 6.894 -6.348 2.558 1.00 0.00 C +ATOM 200 C SER A 13 7.064 -6.302 1.037 1.00 0.00 C +ATOM 201 O SER A 13 7.806 -7.118 0.493 1.00 0.00 O +ATOM 202 CB SER A 13 5.994 -7.536 2.906 1.00 0.00 C +ATOM 203 OG SER A 13 6.670 -8.733 2.580 1.00 0.00 O +ATOM 204 H SER A 13 5.406 -5.120 3.489 1.00 0.00 H +ATOM 205 HA SER A 13 7.875 -6.522 3.002 1.00 0.00 H +ATOM 206 HB2 SER A 13 5.770 -7.523 3.955 1.00 0.00 H +ATOM 207 HB3 SER A 13 5.068 -7.474 2.335 1.00 0.00 H +ATOM 208 HG SER A 13 7.095 -8.611 1.716 1.00 0.00 H +ATOM 209 N SER A 14 6.380 -5.370 0.366 1.00 0.00 N +ATOM 210 CA SER A 14 6.436 -5.119 -1.073 1.00 0.00 C +ATOM 211 C SER A 14 7.612 -4.213 -1.472 1.00 0.00 C +ATOM 212 O SER A 14 7.787 -3.922 -2.655 1.00 0.00 O +ATOM 213 CB SER A 14 5.135 -4.433 -1.522 1.00 0.00 C +ATOM 214 OG SER A 14 4.021 -4.846 -0.754 1.00 0.00 O +ATOM 215 H SER A 14 5.700 -4.806 0.866 1.00 0.00 H +ATOM 216 HA SER A 14 6.525 -6.070 -1.599 1.00 0.00 H +ATOM 217 HB2 SER A 14 5.251 -3.371 -1.420 1.00 0.00 H +ATOM 218 HB3 SER A 14 4.963 -4.657 -2.575 1.00 0.00 H +ATOM 219 HG SER A 14 3.267 -4.316 -1.024 1.00 0.00 H +ATOM 220 N GLY A 15 8.377 -3.685 -0.506 1.00 0.00 N +ATOM 221 CA GLY A 15 9.506 -2.771 -0.715 1.00 0.00 C +ATOM 222 C GLY A 15 9.108 -1.335 -1.091 1.00 0.00 C +ATOM 223 O GLY A 15 9.766 -0.389 -0.660 1.00 0.00 O +ATOM 224 H GLY A 15 8.157 -3.928 0.457 1.00 0.00 H +ATOM 225 HA2 GLY A 15 10.096 -2.732 0.199 1.00 0.00 H +ATOM 226 HA3 GLY A 15 10.140 -3.166 -1.510 1.00 0.00 H +ATOM 227 N ARG A 16 8.034 -1.153 -1.871 1.00 0.00 N +ATOM 228 CA ARG A 16 7.469 0.154 -2.234 1.00 0.00 C +ATOM 229 C ARG A 16 6.973 0.913 -0.978 1.00 0.00 C +ATOM 230 O ARG A 16 6.211 0.332 -0.200 1.00 0.00 O +ATOM 231 CB ARG A 16 6.320 -0.061 -3.236 1.00 0.00 C +ATOM 232 CG ARG A 16 5.701 1.259 -3.728 1.00 0.00 C +ATOM 233 CD ARG A 16 4.282 1.081 -4.280 1.00 0.00 C +ATOM 234 NE ARG A 16 3.436 2.223 -3.888 1.00 0.00 N +ATOM 235 CZ ARG A 16 2.113 2.270 -3.848 1.00 0.00 C +ATOM 236 NH1 ARG A 16 1.365 1.261 -4.236 1.00 0.00 N +ATOM 237 NH2 ARG A 16 1.519 3.348 -3.396 1.00 0.00 N +ATOM 238 H ARG A 16 7.609 -2.003 -2.232 1.00 0.00 H +ATOM 239 HA ARG A 16 8.260 0.723 -2.719 1.00 0.00 H +ATOM 240 HB2 ARG A 16 6.701 -0.598 -4.084 1.00 0.00 H +ATOM 241 HB3 ARG A 16 5.552 -0.663 -2.744 1.00 0.00 H +ATOM 242 HG2 ARG A 16 5.665 1.948 -2.906 1.00 0.00 H +ATOM 243 HG3 ARG A 16 6.342 1.711 -4.487 1.00 0.00 H +ATOM 244 HD2 ARG A 16 4.323 1.021 -5.351 1.00 0.00 H +ATOM 245 HD3 ARG A 16 3.851 0.165 -3.875 1.00 0.00 H +ATOM 246 HE ARG A 16 3.920 3.015 -3.494 1.00 0.00 H +ATOM 247 HH11 ARG A 16 1.821 0.446 -4.608 1.00 0.00 H +ATOM 248 HH12 ARG A 16 0.362 1.295 -4.201 1.00 0.00 H +ATOM 249 HH21 ARG A 16 2.072 4.122 -3.070 1.00 0.00 H +ATOM 250 HH22 ARG A 16 0.518 3.399 -3.384 1.00 0.00 H +ATOM 251 N PRO A 17 7.293 2.215 -0.808 1.00 0.00 N +ATOM 252 CA PRO A 17 6.771 3.037 0.288 1.00 0.00 C +ATOM 253 C PRO A 17 5.246 3.279 0.193 1.00 0.00 C +ATOM 254 O PRO A 17 4.657 3.102 -0.882 1.00 0.00 O +ATOM 255 CB PRO A 17 7.554 4.355 0.201 1.00 0.00 C +ATOM 256 CG PRO A 17 7.898 4.468 -1.280 1.00 0.00 C +ATOM 257 CD PRO A 17 8.151 3.015 -1.674 1.00 0.00 C +ATOM 258 HA PRO A 17 6.993 2.548 1.239 1.00 0.00 H +ATOM 259 HB2 PRO A 17 6.949 5.182 0.518 1.00 0.00 H +ATOM 260 HB3 PRO A 17 8.473 4.272 0.782 1.00 0.00 H +ATOM 261 HG2 PRO A 17 7.081 4.884 -1.837 1.00 0.00 H +ATOM 262 HG3 PRO A 17 8.774 5.093 -1.450 1.00 0.00 H +ATOM 263 HD2 PRO A 17 7.895 2.857 -2.704 1.00 0.00 H +ATOM 264 HD3 PRO A 17 9.194 2.757 -1.486 1.00 0.00 H +ATOM 265 N PRO A 18 4.597 3.714 1.294 1.00 0.00 N +ATOM 266 CA PRO A 18 3.162 3.983 1.317 1.00 0.00 C +ATOM 267 C PRO A 18 2.768 5.182 0.431 1.00 0.00 C +ATOM 268 O PRO A 18 3.608 6.024 0.114 1.00 0.00 O +ATOM 269 CB PRO A 18 2.811 4.228 2.790 1.00 0.00 C +ATOM 270 CG PRO A 18 4.117 4.740 3.389 1.00 0.00 C +ATOM 271 CD PRO A 18 5.176 3.963 2.610 1.00 0.00 C +ATOM 272 HA PRO A 18 2.635 3.096 0.970 1.00 0.00 H +ATOM 273 HB2 PRO A 18 2.034 4.962 2.882 1.00 0.00 H +ATOM 274 HB3 PRO A 18 2.539 3.285 3.264 1.00 0.00 H +ATOM 275 HG2 PRO A 18 4.224 5.797 3.237 1.00 0.00 H +ATOM 276 HG3 PRO A 18 4.178 4.547 4.461 1.00 0.00 H +ATOM 277 HD2 PRO A 18 6.074 4.543 2.520 1.00 0.00 H +ATOM 278 HD3 PRO A 18 5.373 3.011 3.105 1.00 0.00 H +ATOM 279 N PRO A 19 1.485 5.278 0.026 1.00 0.00 N +ATOM 280 CA PRO A 19 0.982 6.372 -0.808 1.00 0.00 C +ATOM 281 C PRO A 19 0.682 7.673 -0.045 1.00 0.00 C +ATOM 282 O PRO A 19 0.626 8.727 -0.675 1.00 0.00 O +ATOM 283 CB PRO A 19 -0.302 5.824 -1.426 1.00 0.00 C +ATOM 284 CG PRO A 19 -0.825 4.851 -0.371 1.00 0.00 C +ATOM 285 CD PRO A 19 0.452 4.272 0.229 1.00 0.00 C +ATOM 286 HA PRO A 19 1.699 6.601 -1.599 1.00 0.00 H +ATOM 287 HB2 PRO A 19 -1.008 6.612 -1.603 1.00 0.00 H +ATOM 288 HB3 PRO A 19 -0.052 5.278 -2.333 1.00 0.00 H +ATOM 289 HG2 PRO A 19 -1.402 5.364 0.374 1.00 0.00 H +ATOM 290 HG3 PRO A 19 -1.440 4.069 -0.815 1.00 0.00 H +ATOM 291 HD2 PRO A 19 0.318 4.081 1.276 1.00 0.00 H +ATOM 292 HD3 PRO A 19 0.728 3.363 -0.309 1.00 0.00 H +ATOM 293 N SER A 20 0.482 7.598 1.276 1.00 0.00 N +ATOM 294 CA SER A 20 0.266 8.724 2.196 1.00 0.00 C +ATOM 295 C SER A 20 1.329 8.752 3.288 1.00 0.00 C +ATOM 296 O SER A 20 1.742 7.644 3.706 1.00 0.00 O +ATOM 297 CB SER A 20 -1.141 8.690 2.805 1.00 0.00 C +ATOM 298 OG SER A 20 -1.374 7.496 3.524 1.00 0.00 O +ATOM 299 OXT SER A 20 1.652 9.878 3.716 1.00 0.00 O +ATOM 300 H SER A 20 0.581 6.704 1.731 1.00 0.00 H +ATOM 301 HA SER A 20 0.368 9.660 1.645 1.00 0.00 H +ATOM 302 HB2 SER A 20 -1.251 9.524 3.471 1.00 0.00 H +ATOM 303 HB3 SER A 20 -1.884 8.784 2.011 1.00 0.00 H +ATOM 304 HG SER A 20 -0.759 7.480 4.268 1.00 0.00 H +TER 305 SER A 20 +ENDMDL +MODEL 21 +ATOM 1 N ASN A 1 -8.205 5.399 0.404 1.00 0.00 N +ATOM 2 CA ASN A 1 -8.421 4.425 -0.695 1.00 0.00 C +ATOM 3 C ASN A 1 -7.126 3.775 -1.163 1.00 0.00 C +ATOM 4 O ASN A 1 -6.987 2.568 -1.004 1.00 0.00 O +ATOM 5 CB ASN A 1 -9.214 5.043 -1.856 1.00 0.00 C +ATOM 6 CG ASN A 1 -10.664 5.161 -1.424 1.00 0.00 C +ATOM 7 OD1 ASN A 1 -10.997 6.047 -0.655 1.00 0.00 O +ATOM 8 ND2 ASN A 1 -11.516 4.226 -1.803 1.00 0.00 N +ATOM 9 H1 ASN A 1 -7.624 4.992 1.125 1.00 0.00 H +ATOM 10 H2 ASN A 1 -7.759 6.235 0.050 1.00 0.00 H +ATOM 11 H3 ASN A 1 -9.098 5.664 0.802 1.00 0.00 H +ATOM 12 HA ASN A 1 -9.021 3.603 -0.300 1.00 0.00 H +ATOM 13 HB2 ASN A 1 -8.823 6.015 -2.087 1.00 0.00 H +ATOM 14 HB3 ASN A 1 -9.147 4.412 -2.743 1.00 0.00 H +ATOM 15 HD21 ASN A 1 -11.263 3.457 -2.402 1.00 0.00 H +ATOM 16 HD22 ASN A 1 -12.463 4.349 -1.476 1.00 0.00 H +ATOM 17 N LEU A 2 -6.172 4.549 -1.692 1.00 0.00 N +ATOM 18 CA LEU A 2 -4.889 4.051 -2.203 1.00 0.00 C +ATOM 19 C LEU A 2 -4.114 3.184 -1.190 1.00 0.00 C +ATOM 20 O LEU A 2 -3.509 2.181 -1.570 1.00 0.00 O +ATOM 21 CB LEU A 2 -4.073 5.277 -2.655 1.00 0.00 C +ATOM 22 CG LEU A 2 -4.033 5.475 -4.183 1.00 0.00 C +ATOM 23 CD1 LEU A 2 -4.073 6.965 -4.529 1.00 0.00 C +ATOM 24 CD2 LEU A 2 -2.762 4.845 -4.764 1.00 0.00 C +ATOM 25 H LEU A 2 -6.330 5.538 -1.816 1.00 0.00 H +ATOM 26 HA LEU A 2 -5.081 3.408 -3.065 1.00 0.00 H +ATOM 27 HB2 LEU A 2 -4.507 6.153 -2.213 1.00 0.00 H +ATOM 28 HB3 LEU A 2 -3.055 5.173 -2.305 1.00 0.00 H +ATOM 29 HG LEU A 2 -4.900 4.998 -4.643 1.00 0.00 H +ATOM 30 HD11 LEU A 2 -5.100 7.324 -4.467 1.00 0.00 H +ATOM 31 HD12 LEU A 2 -3.450 7.536 -3.839 1.00 0.00 H +ATOM 32 HD13 LEU A 2 -3.711 7.128 -5.545 1.00 0.00 H +ATOM 33 HD21 LEU A 2 -1.884 5.386 -4.413 1.00 0.00 H +ATOM 34 HD22 LEU A 2 -2.688 3.801 -4.461 1.00 0.00 H +ATOM 35 HD23 LEU A 2 -2.792 4.898 -5.853 1.00 0.00 H +ATOM 36 N TYR A 3 -4.187 3.525 0.103 1.00 0.00 N +ATOM 37 CA TYR A 3 -3.556 2.775 1.192 1.00 0.00 C +ATOM 38 C TYR A 3 -4.000 1.305 1.250 1.00 0.00 C +ATOM 39 O TYR A 3 -3.195 0.429 1.563 1.00 0.00 O +ATOM 40 CB TYR A 3 -3.840 3.474 2.532 1.00 0.00 C +ATOM 41 CG TYR A 3 -2.641 3.483 3.456 1.00 0.00 C +ATOM 42 CD1 TYR A 3 -2.318 2.335 4.203 1.00 0.00 C +ATOM 43 CD2 TYR A 3 -1.834 4.634 3.549 1.00 0.00 C +ATOM 44 CE1 TYR A 3 -1.190 2.334 5.043 1.00 0.00 C +ATOM 45 CE2 TYR A 3 -0.712 4.643 4.398 1.00 0.00 C +ATOM 46 CZ TYR A 3 -0.385 3.488 5.143 1.00 0.00 C +ATOM 47 OH TYR A 3 0.689 3.483 5.975 1.00 0.00 O +ATOM 48 H TYR A 3 -4.659 4.384 0.331 1.00 0.00 H +ATOM 49 HA TYR A 3 -2.477 2.787 1.022 1.00 0.00 H +ATOM 50 HB2 TYR A 3 -4.128 4.489 2.335 1.00 0.00 H +ATOM 51 HB3 TYR A 3 -4.675 2.981 3.036 1.00 0.00 H +ATOM 52 HD1 TYR A 3 -2.934 1.451 4.126 1.00 0.00 H +ATOM 53 HD2 TYR A 3 -2.071 5.516 2.968 1.00 0.00 H +ATOM 54 HE1 TYR A 3 -0.931 1.461 5.624 1.00 0.00 H +ATOM 55 HE2 TYR A 3 -0.096 5.527 4.474 1.00 0.00 H +ATOM 56 HH TYR A 3 0.536 4.026 6.750 1.00 0.00 H +ATOM 57 N ILE A 4 -5.268 1.027 0.907 1.00 0.00 N +ATOM 58 CA ILE A 4 -5.809 -0.333 0.842 1.00 0.00 C +ATOM 59 C ILE A 4 -5.065 -1.132 -0.228 1.00 0.00 C +ATOM 60 O ILE A 4 -4.619 -2.244 0.044 1.00 0.00 O +ATOM 61 CB ILE A 4 -7.333 -0.322 0.572 1.00 0.00 C +ATOM 62 CG1 ILE A 4 -8.130 0.602 1.523 1.00 0.00 C +ATOM 63 CG2 ILE A 4 -7.912 -1.748 0.626 1.00 0.00 C +ATOM 64 CD1 ILE A 4 -7.837 0.419 3.019 1.00 0.00 C +ATOM 65 H ILE A 4 -5.853 1.783 0.573 1.00 0.00 H +ATOM 66 HA ILE A 4 -5.628 -0.825 1.798 1.00 0.00 H +ATOM 67 HB ILE A 4 -7.498 0.045 -0.442 1.00 0.00 H +ATOM 68 HG12 ILE A 4 -7.904 1.618 1.263 1.00 0.00 H +ATOM 69 HG13 ILE A 4 -9.195 0.439 1.352 1.00 0.00 H +ATOM 70 HG21 ILE A 4 -7.438 -2.382 -0.123 1.00 0.00 H +ATOM 71 HG22 ILE A 4 -7.755 -2.190 1.610 1.00 0.00 H +ATOM 72 HG23 ILE A 4 -8.983 -1.721 0.418 1.00 0.00 H +ATOM 73 HD11 ILE A 4 -7.575 -0.614 3.246 1.00 0.00 H +ATOM 74 HD12 ILE A 4 -7.012 1.067 3.316 1.00 0.00 H +ATOM 75 HD13 ILE A 4 -8.722 0.689 3.595 1.00 0.00 H +ATOM 76 N GLN A 5 -4.894 -0.554 -1.425 1.00 0.00 N +ATOM 77 CA GLN A 5 -4.180 -1.182 -2.538 1.00 0.00 C +ATOM 78 C GLN A 5 -2.711 -1.453 -2.172 1.00 0.00 C +ATOM 79 O GLN A 5 -2.211 -2.547 -2.418 1.00 0.00 O +ATOM 80 CB GLN A 5 -4.321 -0.301 -3.794 1.00 0.00 C +ATOM 81 CG GLN A 5 -4.173 -1.098 -5.104 1.00 0.00 C +ATOM 82 CD GLN A 5 -2.956 -0.675 -5.920 1.00 0.00 C +ATOM 83 OE1 GLN A 5 -1.933 -1.333 -5.943 1.00 0.00 O +ATOM 84 NE2 GLN A 5 -3.020 0.437 -6.629 1.00 0.00 N +ATOM 85 H GLN A 5 -5.218 0.396 -1.539 1.00 0.00 H +ATOM 86 HA GLN A 5 -4.656 -2.143 -2.729 1.00 0.00 H +ATOM 87 HB2 GLN A 5 -5.289 0.161 -3.782 1.00 0.00 H +ATOM 88 HB3 GLN A 5 -3.593 0.512 -3.762 1.00 0.00 H +ATOM 89 HG2 GLN A 5 -4.079 -2.139 -4.863 1.00 0.00 H +ATOM 90 HG3 GLN A 5 -5.066 -0.948 -5.712 1.00 0.00 H +ATOM 91 HE21 GLN A 5 -3.834 1.023 -6.661 1.00 0.00 H +ATOM 92 HE22 GLN A 5 -2.179 0.616 -7.149 1.00 0.00 H +ATOM 93 N TRP A 6 -2.050 -0.491 -1.510 1.00 0.00 N +ATOM 94 CA TRP A 6 -0.682 -0.649 -1.004 1.00 0.00 C +ATOM 95 C TRP A 6 -0.552 -1.777 0.033 1.00 0.00 C +ATOM 96 O TRP A 6 0.343 -2.619 -0.074 1.00 0.00 O +ATOM 97 CB TRP A 6 -0.195 0.683 -0.426 1.00 0.00 C +ATOM 98 CG TRP A 6 1.199 0.640 0.118 1.00 0.00 C +ATOM 99 CD1 TRP A 6 2.328 0.641 -0.626 1.00 0.00 C +ATOM 100 CD2 TRP A 6 1.638 0.542 1.510 1.00 0.00 C +ATOM 101 NE1 TRP A 6 3.424 0.533 0.208 1.00 0.00 N +ATOM 102 CE2 TRP A 6 3.060 0.471 1.527 1.00 0.00 C +ATOM 103 CE3 TRP A 6 0.987 0.512 2.761 1.00 0.00 C +ATOM 104 CZ2 TRP A 6 3.807 0.373 2.709 1.00 0.00 C +ATOM 105 CZ3 TRP A 6 1.723 0.410 3.959 1.00 0.00 C +ATOM 106 CH2 TRP A 6 3.128 0.343 3.936 1.00 0.00 C +ATOM 107 H TRP A 6 -2.536 0.387 -1.350 1.00 0.00 H +ATOM 108 HA TRP A 6 -0.035 -0.916 -1.840 1.00 0.00 H +ATOM 109 HB2 TRP A 6 -0.231 1.421 -1.204 1.00 0.00 H +ATOM 110 HB3 TRP A 6 -0.865 0.995 0.375 1.00 0.00 H +ATOM 111 HD1 TRP A 6 2.362 0.708 -1.706 1.00 0.00 H +ATOM 112 HE1 TRP A 6 4.401 0.535 -0.078 1.00 0.00 H +ATOM 113 HE3 TRP A 6 -0.088 0.583 2.787 1.00 0.00 H +ATOM 114 HZ2 TRP A 6 4.885 0.322 2.660 1.00 0.00 H +ATOM 115 HZ3 TRP A 6 1.210 0.395 4.909 1.00 0.00 H +ATOM 116 HH2 TRP A 6 3.683 0.276 4.862 1.00 0.00 H +ATOM 117 N LEU A 7 -1.451 -1.826 1.027 1.00 0.00 N +ATOM 118 CA LEU A 7 -1.482 -2.920 2.000 1.00 0.00 C +ATOM 119 C LEU A 7 -1.770 -4.274 1.337 1.00 0.00 C +ATOM 120 O LEU A 7 -1.172 -5.271 1.735 1.00 0.00 O +ATOM 121 CB LEU A 7 -2.494 -2.616 3.120 1.00 0.00 C +ATOM 122 CG LEU A 7 -2.022 -1.536 4.111 1.00 0.00 C +ATOM 123 CD1 LEU A 7 -3.153 -1.196 5.086 1.00 0.00 C +ATOM 124 CD2 LEU A 7 -0.804 -1.981 4.934 1.00 0.00 C +ATOM 125 H LEU A 7 -2.149 -1.086 1.092 1.00 0.00 H +ATOM 126 HA LEU A 7 -0.489 -3.014 2.435 1.00 0.00 H +ATOM 127 HB2 LEU A 7 -3.409 -2.283 2.668 1.00 0.00 H +ATOM 128 HB3 LEU A 7 -2.686 -3.532 3.681 1.00 0.00 H +ATOM 129 HG LEU A 7 -1.764 -0.633 3.565 1.00 0.00 H +ATOM 130 HD11 LEU A 7 -4.027 -0.854 4.530 1.00 0.00 H +ATOM 131 HD12 LEU A 7 -3.418 -2.076 5.672 1.00 0.00 H +ATOM 132 HD13 LEU A 7 -2.833 -0.402 5.761 1.00 0.00 H +ATOM 133 HD21 LEU A 7 -1.025 -2.912 5.456 1.00 0.00 H +ATOM 134 HD22 LEU A 7 0.060 -2.128 4.287 1.00 0.00 H +ATOM 135 HD23 LEU A 7 -0.552 -1.214 5.664 1.00 0.00 H +ATOM 136 N LYS A 8 -2.622 -4.312 0.302 1.00 0.00 N +ATOM 137 CA LYS A 8 -2.964 -5.533 -0.446 1.00 0.00 C +ATOM 138 C LYS A 8 -1.748 -6.215 -1.087 1.00 0.00 C +ATOM 139 O LYS A 8 -1.680 -7.440 -1.095 1.00 0.00 O +ATOM 140 CB LYS A 8 -4.040 -5.202 -1.495 1.00 0.00 C +ATOM 141 CG LYS A 8 -5.019 -6.365 -1.703 1.00 0.00 C +ATOM 142 CD LYS A 8 -6.311 -5.884 -2.382 1.00 0.00 C +ATOM 143 CE LYS A 8 -7.429 -6.917 -2.201 1.00 0.00 C +ATOM 144 NZ LYS A 8 -8.063 -6.804 -0.863 1.00 0.00 N +ATOM 145 H LYS A 8 -3.107 -3.448 0.065 1.00 0.00 H +ATOM 146 HA LYS A 8 -3.372 -6.243 0.275 1.00 0.00 H +ATOM 147 HB2 LYS A 8 -4.590 -4.341 -1.167 1.00 0.00 H +ATOM 148 HB3 LYS A 8 -3.577 -4.927 -2.444 1.00 0.00 H +ATOM 149 HG2 LYS A 8 -4.554 -7.109 -2.321 1.00 0.00 H +ATOM 150 HG3 LYS A 8 -5.268 -6.792 -0.732 1.00 0.00 H +ATOM 151 HD2 LYS A 8 -6.615 -4.953 -1.943 1.00 0.00 H +ATOM 152 HD3 LYS A 8 -6.116 -5.737 -3.446 1.00 0.00 H +ATOM 153 HE2 LYS A 8 -8.176 -6.759 -2.955 1.00 0.00 H +ATOM 154 HE3 LYS A 8 -6.998 -7.914 -2.334 1.00 0.00 H +ATOM 155 HZ1 LYS A 8 -7.353 -6.774 -0.143 1.00 0.00 H +ATOM 156 HZ2 LYS A 8 -8.612 -5.957 -0.808 1.00 0.00 H +ATOM 157 HZ3 LYS A 8 -8.670 -7.595 -0.691 1.00 0.00 H +ATOM 158 N ASP A 9 -0.774 -5.426 -1.557 1.00 0.00 N +ATOM 159 CA ASP A 9 0.530 -5.873 -2.078 1.00 0.00 C +ATOM 160 C ASP A 9 1.485 -6.399 -0.981 1.00 0.00 C +ATOM 161 O ASP A 9 2.573 -6.882 -1.301 1.00 0.00 O +ATOM 162 CB ASP A 9 1.212 -4.694 -2.814 1.00 0.00 C +ATOM 163 CG ASP A 9 1.583 -4.991 -4.272 1.00 0.00 C +ATOM 164 OD1 ASP A 9 0.662 -5.343 -5.038 1.00 0.00 O +ATOM 165 OD2 ASP A 9 2.782 -4.809 -4.612 1.00 0.00 O +ATOM 166 H ASP A 9 -0.962 -4.430 -1.556 1.00 0.00 H +ATOM 167 HA ASP A 9 0.358 -6.689 -2.785 1.00 0.00 H +ATOM 168 HB2 ASP A 9 0.541 -3.857 -2.802 1.00 0.00 H +ATOM 169 HB3 ASP A 9 2.121 -4.414 -2.279 1.00 0.00 H +ATOM 170 N GLY A 10 1.125 -6.270 0.304 1.00 0.00 N +ATOM 171 CA GLY A 10 1.936 -6.685 1.451 1.00 0.00 C +ATOM 172 C GLY A 10 2.565 -5.530 2.237 1.00 0.00 C +ATOM 173 O GLY A 10 3.424 -5.778 3.084 1.00 0.00 O +ATOM 174 H GLY A 10 0.211 -5.877 0.508 1.00 0.00 H +ATOM 175 HA2 GLY A 10 1.298 -7.243 2.136 1.00 0.00 H +ATOM 176 HA3 GLY A 10 2.735 -7.352 1.125 1.00 0.00 H +ATOM 177 N GLY A 11 2.184 -4.272 1.973 1.00 0.00 N +ATOM 178 CA GLY A 11 2.732 -3.116 2.683 1.00 0.00 C +ATOM 179 C GLY A 11 4.265 -3.035 2.545 1.00 0.00 C +ATOM 180 O GLY A 11 4.771 -3.134 1.422 1.00 0.00 O +ATOM 181 H GLY A 11 1.507 -4.103 1.237 1.00 0.00 H +ATOM 182 HA2 GLY A 11 2.296 -2.204 2.279 1.00 0.00 H +ATOM 183 HA3 GLY A 11 2.443 -3.201 3.729 1.00 0.00 H +ATOM 184 N PRO A 12 5.029 -2.881 3.651 1.00 0.00 N +ATOM 185 CA PRO A 12 6.491 -2.829 3.600 1.00 0.00 C +ATOM 186 C PRO A 12 7.138 -4.072 2.966 1.00 0.00 C +ATOM 187 O PRO A 12 8.211 -3.949 2.375 1.00 0.00 O +ATOM 188 CB PRO A 12 6.970 -2.642 5.048 1.00 0.00 C +ATOM 189 CG PRO A 12 5.734 -2.162 5.806 1.00 0.00 C +ATOM 190 CD PRO A 12 4.578 -2.795 5.033 1.00 0.00 C +ATOM 191 HA PRO A 12 6.783 -1.953 3.019 1.00 0.00 H +ATOM 192 HB2 PRO A 12 7.325 -3.570 5.452 1.00 0.00 H +ATOM 193 HB3 PRO A 12 7.775 -1.907 5.107 1.00 0.00 H +ATOM 194 HG2 PRO A 12 5.750 -2.505 6.823 1.00 0.00 H +ATOM 195 HG3 PRO A 12 5.663 -1.077 5.744 1.00 0.00 H +ATOM 196 HD2 PRO A 12 4.362 -3.773 5.418 1.00 0.00 H +ATOM 197 HD3 PRO A 12 3.684 -2.179 5.140 1.00 0.00 H +ATOM 198 N SER A 13 6.492 -5.249 3.030 1.00 0.00 N +ATOM 199 CA SER A 13 7.032 -6.510 2.502 1.00 0.00 C +ATOM 200 C SER A 13 7.252 -6.475 0.991 1.00 0.00 C +ATOM 201 O SER A 13 8.198 -7.085 0.501 1.00 0.00 O +ATOM 202 CB SER A 13 6.085 -7.675 2.806 1.00 0.00 C +ATOM 203 OG SER A 13 5.872 -7.807 4.197 1.00 0.00 O +ATOM 204 H SER A 13 5.578 -5.299 3.472 1.00 0.00 H +ATOM 205 HA SER A 13 7.994 -6.707 2.977 1.00 0.00 H +ATOM 206 HB2 SER A 13 5.144 -7.497 2.322 1.00 0.00 H +ATOM 207 HB3 SER A 13 6.513 -8.600 2.417 1.00 0.00 H +ATOM 208 HG SER A 13 6.506 -8.436 4.551 1.00 0.00 H +ATOM 209 N SER A 14 6.398 -5.751 0.257 1.00 0.00 N +ATOM 210 CA SER A 14 6.540 -5.569 -1.189 1.00 0.00 C +ATOM 211 C SER A 14 7.723 -4.673 -1.582 1.00 0.00 C +ATOM 212 O SER A 14 8.110 -4.660 -2.750 1.00 0.00 O +ATOM 213 CB SER A 14 5.248 -4.986 -1.771 1.00 0.00 C +ATOM 214 OG SER A 14 4.583 -5.979 -2.515 1.00 0.00 O +ATOM 215 H SER A 14 5.654 -5.262 0.743 1.00 0.00 H +ATOM 216 HA SER A 14 6.710 -6.543 -1.651 1.00 0.00 H +ATOM 217 HB2 SER A 14 4.614 -4.652 -0.972 1.00 0.00 H +ATOM 218 HB3 SER A 14 5.507 -4.180 -2.451 1.00 0.00 H +ATOM 219 HG SER A 14 3.809 -6.342 -2.003 1.00 0.00 H +ATOM 220 N GLY A 15 8.298 -3.917 -0.635 1.00 0.00 N +ATOM 221 CA GLY A 15 9.467 -3.068 -0.877 1.00 0.00 C +ATOM 222 C GLY A 15 9.130 -1.720 -1.522 1.00 0.00 C +ATOM 223 O GLY A 15 9.898 -1.231 -2.349 1.00 0.00 O +ATOM 224 H GLY A 15 7.970 -4.008 0.322 1.00 0.00 H +ATOM 225 HA2 GLY A 15 9.963 -2.879 0.074 1.00 0.00 H +ATOM 226 HA3 GLY A 15 10.166 -3.596 -1.527 1.00 0.00 H +ATOM 227 N ARG A 16 7.986 -1.120 -1.164 1.00 0.00 N +ATOM 228 CA ARG A 16 7.493 0.155 -1.712 1.00 0.00 C +ATOM 229 C ARG A 16 6.893 1.052 -0.617 1.00 0.00 C +ATOM 230 O ARG A 16 6.228 0.526 0.276 1.00 0.00 O +ATOM 231 CB ARG A 16 6.486 -0.108 -2.852 1.00 0.00 C +ATOM 232 CG ARG A 16 5.371 -1.121 -2.515 1.00 0.00 C +ATOM 233 CD ARG A 16 4.390 -1.352 -3.682 1.00 0.00 C +ATOM 234 NE ARG A 16 4.505 -2.695 -4.282 1.00 0.00 N +ATOM 235 CZ ARG A 16 5.417 -3.159 -5.117 1.00 0.00 C +ATOM 236 NH1 ARG A 16 6.381 -2.403 -5.595 1.00 0.00 N +ATOM 237 NH2 ARG A 16 5.336 -4.410 -5.482 1.00 0.00 N +ATOM 238 H ARG A 16 7.428 -1.572 -0.451 1.00 0.00 H +ATOM 239 HA ARG A 16 8.348 0.677 -2.139 1.00 0.00 H +ATOM 240 HB2 ARG A 16 6.022 0.825 -3.109 1.00 0.00 H +ATOM 241 HB3 ARG A 16 7.046 -0.475 -3.709 1.00 0.00 H +ATOM 242 HG2 ARG A 16 5.827 -2.059 -2.261 1.00 0.00 H +ATOM 243 HG3 ARG A 16 4.805 -0.751 -1.666 1.00 0.00 H +ATOM 244 HD2 ARG A 16 3.389 -1.227 -3.316 1.00 0.00 H +ATOM 245 HD3 ARG A 16 4.531 -0.590 -4.449 1.00 0.00 H +ATOM 246 HE ARG A 16 3.776 -3.394 -4.104 1.00 0.00 H +ATOM 247 HH11 ARG A 16 6.393 -1.440 -5.320 1.00 0.00 H +ATOM 248 HH12 ARG A 16 7.062 -2.775 -6.231 1.00 0.00 H +ATOM 249 HH21 ARG A 16 4.489 -4.903 -5.147 1.00 0.00 H +ATOM 250 HH22 ARG A 16 6.023 -4.858 -6.055 1.00 0.00 H +ATOM 251 N PRO A 17 7.075 2.387 -0.684 1.00 0.00 N +ATOM 252 CA PRO A 17 6.538 3.322 0.308 1.00 0.00 C +ATOM 253 C PRO A 17 5.011 3.481 0.186 1.00 0.00 C +ATOM 254 O PRO A 17 4.452 3.191 -0.874 1.00 0.00 O +ATOM 255 CB PRO A 17 7.258 4.647 0.031 1.00 0.00 C +ATOM 256 CG PRO A 17 7.545 4.595 -1.468 1.00 0.00 C +ATOM 257 CD PRO A 17 7.782 3.109 -1.733 1.00 0.00 C +ATOM 258 HA PRO A 17 6.789 2.972 1.310 1.00 0.00 H +ATOM 259 HB2 PRO A 17 6.629 5.482 0.272 1.00 0.00 H +ATOM 260 HB3 PRO A 17 8.199 4.671 0.582 1.00 0.00 H +ATOM 261 HG2 PRO A 17 6.707 4.957 -2.032 1.00 0.00 H +ATOM 262 HG3 PRO A 17 8.418 5.192 -1.732 1.00 0.00 H +ATOM 263 HD2 PRO A 17 7.395 2.837 -2.696 1.00 0.00 H +ATOM 264 HD3 PRO A 17 8.849 2.890 -1.670 1.00 0.00 H +ATOM 265 N PRO A 18 4.330 3.962 1.245 1.00 0.00 N +ATOM 266 CA PRO A 18 2.890 4.179 1.221 1.00 0.00 C +ATOM 267 C PRO A 18 2.501 5.385 0.341 1.00 0.00 C +ATOM 268 O PRO A 18 3.270 6.342 0.211 1.00 0.00 O +ATOM 269 CB PRO A 18 2.483 4.404 2.680 1.00 0.00 C +ATOM 270 CG PRO A 18 3.743 4.989 3.313 1.00 0.00 C +ATOM 271 CD PRO A 18 4.873 4.294 2.554 1.00 0.00 C +ATOM 272 HA PRO A 18 2.410 3.277 0.849 1.00 0.00 H +ATOM 273 HB2 PRO A 18 1.664 5.093 2.748 1.00 0.00 H +ATOM 274 HB3 PRO A 18 2.248 3.446 3.144 1.00 0.00 H +ATOM 275 HG2 PRO A 18 3.784 6.052 3.175 1.00 0.00 H +ATOM 276 HG3 PRO A 18 3.788 4.783 4.383 1.00 0.00 H +ATOM 277 HD2 PRO A 18 5.715 4.952 2.453 1.00 0.00 H +ATOM 278 HD3 PRO A 18 5.153 3.376 3.072 1.00 0.00 H +ATOM 279 N PRO A 19 1.280 5.377 -0.223 1.00 0.00 N +ATOM 280 CA PRO A 19 0.762 6.450 -1.060 1.00 0.00 C +ATOM 281 C PRO A 19 0.382 7.663 -0.198 1.00 0.00 C +ATOM 282 O PRO A 19 -0.624 7.631 0.512 1.00 0.00 O +ATOM 283 CB PRO A 19 -0.435 5.840 -1.790 1.00 0.00 C +ATOM 284 CG PRO A 19 -0.951 4.783 -0.812 1.00 0.00 C +ATOM 285 CD PRO A 19 0.299 4.311 -0.088 1.00 0.00 C +ATOM 286 HA PRO A 19 1.508 6.751 -1.796 1.00 0.00 H +ATOM 287 HB2 PRO A 19 -1.185 6.582 -1.983 1.00 0.00 H +ATOM 288 HB3 PRO A 19 -0.088 5.348 -2.699 1.00 0.00 H +ATOM 289 HG2 PRO A 19 -1.652 5.211 -0.122 1.00 0.00 H +ATOM 290 HG3 PRO A 19 -1.423 3.952 -1.333 1.00 0.00 H +ATOM 291 HD2 PRO A 19 0.083 4.134 0.948 1.00 0.00 H +ATOM 292 HD3 PRO A 19 0.683 3.414 -0.572 1.00 0.00 H +ATOM 293 N SER A 20 1.217 8.708 -0.251 1.00 0.00 N +ATOM 294 CA SER A 20 0.998 10.004 0.410 1.00 0.00 C +ATOM 295 C SER A 20 0.315 10.992 -0.534 1.00 0.00 C +ATOM 296 O SER A 20 0.887 11.215 -1.624 1.00 0.00 O +ATOM 297 CB SER A 20 2.322 10.595 0.894 1.00 0.00 C +ATOM 298 OG SER A 20 2.966 9.680 1.760 1.00 0.00 O +ATOM 299 OXT SER A 20 -0.750 11.510 -0.139 1.00 0.00 O +ATOM 300 H SER A 20 1.987 8.656 -0.900 1.00 0.00 H +ATOM 301 HA SER A 20 0.337 9.875 1.267 1.00 0.00 H +ATOM 302 HB2 SER A 20 2.954 10.792 0.050 1.00 0.00 H +ATOM 303 HB3 SER A 20 2.127 11.529 1.425 1.00 0.00 H +ATOM 304 HG SER A 20 3.007 8.832 1.306 1.00 0.00 H +TER 305 SER A 20 +ENDMDL +MODEL 22 +ATOM 1 N ASN A 1 -7.147 6.420 -0.321 1.00 0.00 N +ATOM 2 CA ASN A 1 -7.735 5.239 -1.002 1.00 0.00 C +ATOM 3 C ASN A 1 -6.654 4.233 -1.423 1.00 0.00 C +ATOM 4 O ASN A 1 -6.828 3.043 -1.189 1.00 0.00 O +ATOM 5 CB ASN A 1 -8.631 5.670 -2.180 1.00 0.00 C +ATOM 6 CG ASN A 1 -7.791 6.178 -3.342 1.00 0.00 C +ATOM 7 OD1 ASN A 1 -6.938 7.030 -3.134 1.00 0.00 O +ATOM 8 ND2 ASN A 1 -7.925 5.610 -4.527 1.00 0.00 N +ATOM 9 H1 ASN A 1 -6.444 6.132 0.344 1.00 0.00 H +ATOM 10 H2 ASN A 1 -6.730 7.032 -1.016 1.00 0.00 H +ATOM 11 H3 ASN A 1 -7.869 6.934 0.166 1.00 0.00 H +ATOM 12 HA ASN A 1 -8.365 4.712 -0.285 1.00 0.00 H +ATOM 13 HB2 ASN A 1 -9.211 4.828 -2.507 1.00 0.00 H +ATOM 14 HB3 ASN A 1 -9.301 6.470 -1.860 1.00 0.00 H +ATOM 15 HD21 ASN A 1 -8.593 4.875 -4.704 1.00 0.00 H +ATOM 16 HD22 ASN A 1 -7.334 5.964 -5.263 1.00 0.00 H +ATOM 17 N LEU A 2 -5.522 4.698 -1.980 1.00 0.00 N +ATOM 18 CA LEU A 2 -4.409 3.863 -2.457 1.00 0.00 C +ATOM 19 C LEU A 2 -3.793 2.972 -1.363 1.00 0.00 C +ATOM 20 O LEU A 2 -3.233 1.920 -1.669 1.00 0.00 O +ATOM 21 CB LEU A 2 -3.326 4.784 -3.046 1.00 0.00 C +ATOM 22 CG LEU A 2 -3.749 5.553 -4.315 1.00 0.00 C +ATOM 23 CD1 LEU A 2 -2.850 6.776 -4.507 1.00 0.00 C +ATOM 24 CD2 LEU A 2 -3.680 4.665 -5.559 1.00 0.00 C +ATOM 25 H LEU A 2 -5.460 5.679 -2.226 1.00 0.00 H +ATOM 26 HA LEU A 2 -4.775 3.199 -3.243 1.00 0.00 H +ATOM 27 HB2 LEU A 2 -3.054 5.502 -2.296 1.00 0.00 H +ATOM 28 HB3 LEU A 2 -2.440 4.192 -3.280 1.00 0.00 H +ATOM 29 HG LEU A 2 -4.770 5.913 -4.203 1.00 0.00 H +ATOM 30 HD11 LEU A 2 -2.889 7.409 -3.621 1.00 0.00 H +ATOM 31 HD12 LEU A 2 -1.821 6.467 -4.687 1.00 0.00 H +ATOM 32 HD13 LEU A 2 -3.206 7.360 -5.357 1.00 0.00 H +ATOM 33 HD21 LEU A 2 -2.700 4.193 -5.633 1.00 0.00 H +ATOM 34 HD22 LEU A 2 -4.449 3.893 -5.510 1.00 0.00 H +ATOM 35 HD23 LEU A 2 -3.847 5.268 -6.452 1.00 0.00 H +ATOM 36 N TYR A 3 -3.931 3.366 -0.089 1.00 0.00 N +ATOM 37 CA TYR A 3 -3.447 2.623 1.074 1.00 0.00 C +ATOM 38 C TYR A 3 -3.964 1.180 1.109 1.00 0.00 C +ATOM 39 O TYR A 3 -3.229 0.272 1.491 1.00 0.00 O +ATOM 40 CB TYR A 3 -3.837 3.358 2.368 1.00 0.00 C +ATOM 41 CG TYR A 3 -2.695 3.445 3.358 1.00 0.00 C +ATOM 42 CD1 TYR A 3 -2.319 2.321 4.114 1.00 0.00 C +ATOM 43 CD2 TYR A 3 -1.990 4.653 3.499 1.00 0.00 C +ATOM 44 CE1 TYR A 3 -1.242 2.408 5.016 1.00 0.00 C +ATOM 45 CE2 TYR A 3 -0.914 4.751 4.400 1.00 0.00 C +ATOM 46 CZ TYR A 3 -0.539 3.622 5.162 1.00 0.00 C +ATOM 47 OH TYR A 3 0.485 3.702 6.054 1.00 0.00 O +ATOM 48 H TYR A 3 -4.371 4.256 0.070 1.00 0.00 H +ATOM 49 HA TYR A 3 -2.359 2.584 1.015 1.00 0.00 H +ATOM 50 HB2 TYR A 3 -4.150 4.353 2.117 1.00 0.00 H +ATOM 51 HB3 TYR A 3 -4.678 2.850 2.844 1.00 0.00 H +ATOM 52 HD1 TYR A 3 -2.858 1.392 4.001 1.00 0.00 H +ATOM 53 HD2 TYR A 3 -2.289 5.504 2.906 1.00 0.00 H +ATOM 54 HE1 TYR A 3 -0.942 1.554 5.604 1.00 0.00 H +ATOM 55 HE2 TYR A 3 -0.364 5.678 4.516 1.00 0.00 H +ATOM 56 HH TYR A 3 0.190 4.071 6.890 1.00 0.00 H +ATOM 57 N ILE A 4 -5.213 0.963 0.670 1.00 0.00 N +ATOM 58 CA ILE A 4 -5.823 -0.366 0.587 1.00 0.00 C +ATOM 59 C ILE A 4 -5.035 -1.235 -0.401 1.00 0.00 C +ATOM 60 O ILE A 4 -4.639 -2.349 -0.066 1.00 0.00 O +ATOM 61 CB ILE A 4 -7.315 -0.267 0.189 1.00 0.00 C +ATOM 62 CG1 ILE A 4 -8.131 0.588 1.186 1.00 0.00 C +ATOM 63 CG2 ILE A 4 -7.906 -1.688 0.098 1.00 0.00 C +ATOM 64 CD1 ILE A 4 -9.426 1.134 0.567 1.00 0.00 C +ATOM 65 H ILE A 4 -5.742 1.753 0.322 1.00 0.00 H +ATOM 66 HA ILE A 4 -5.754 -0.841 1.568 1.00 0.00 H +ATOM 67 HB ILE A 4 -7.380 0.200 -0.796 1.00 0.00 H +ATOM 68 HG12 ILE A 4 -8.384 -0.019 2.034 1.00 0.00 H +ATOM 69 HG13 ILE A 4 -7.554 1.453 1.513 1.00 0.00 H +ATOM 70 HG21 ILE A 4 -7.613 -2.155 -0.842 1.00 0.00 H +ATOM 71 HG22 ILE A 4 -7.546 -2.302 0.925 1.00 0.00 H +ATOM 72 HG23 ILE A 4 -8.995 -1.665 0.139 1.00 0.00 H +ATOM 73 HD11 ILE A 4 -9.186 1.834 -0.233 1.00 0.00 H +ATOM 74 HD12 ILE A 4 -10.035 0.325 0.163 1.00 0.00 H +ATOM 75 HD13 ILE A 4 -10.000 1.657 1.332 1.00 0.00 H +ATOM 76 N GLN A 5 -4.770 -0.707 -1.602 1.00 0.00 N +ATOM 77 CA GLN A 5 -4.004 -1.401 -2.634 1.00 0.00 C +ATOM 78 C GLN A 5 -2.557 -1.659 -2.193 1.00 0.00 C +ATOM 79 O GLN A 5 -2.034 -2.749 -2.416 1.00 0.00 O +ATOM 80 CB GLN A 5 -4.064 -0.600 -3.951 1.00 0.00 C +ATOM 81 CG GLN A 5 -4.101 -1.517 -5.182 1.00 0.00 C +ATOM 82 CD GLN A 5 -5.437 -2.250 -5.294 1.00 0.00 C +ATOM 83 OE1 GLN A 5 -6.433 -1.708 -5.744 1.00 0.00 O +ATOM 84 NE2 GLN A 5 -5.519 -3.495 -4.863 1.00 0.00 N +ATOM 85 H GLN A 5 -5.062 0.244 -1.779 1.00 0.00 H +ATOM 86 HA GLN A 5 -4.475 -2.372 -2.776 1.00 0.00 H +ATOM 87 HB2 GLN A 5 -4.948 0.009 -3.946 1.00 0.00 H +ATOM 88 HB3 GLN A 5 -3.195 0.059 -4.019 1.00 0.00 H +ATOM 89 HG2 GLN A 5 -3.954 -0.923 -6.064 1.00 0.00 H +ATOM 90 HG3 GLN A 5 -3.280 -2.234 -5.138 1.00 0.00 H +ATOM 91 HE21 GLN A 5 -4.727 -3.993 -4.495 1.00 0.00 H +ATOM 92 HE22 GLN A 5 -6.432 -3.902 -4.971 1.00 0.00 H +ATOM 93 N TRP A 6 -1.937 -0.681 -1.518 1.00 0.00 N +ATOM 94 CA TRP A 6 -0.600 -0.811 -0.937 1.00 0.00 C +ATOM 95 C TRP A 6 -0.532 -1.917 0.130 1.00 0.00 C +ATOM 96 O TRP A 6 0.363 -2.764 0.091 1.00 0.00 O +ATOM 97 CB TRP A 6 -0.164 0.545 -0.369 1.00 0.00 C +ATOM 98 CG TRP A 6 1.216 0.547 0.205 1.00 0.00 C +ATOM 99 CD1 TRP A 6 2.366 0.594 -0.508 1.00 0.00 C +ATOM 100 CD2 TRP A 6 1.619 0.456 1.606 1.00 0.00 C +ATOM 101 NE1 TRP A 6 3.444 0.504 0.353 1.00 0.00 N +ATOM 102 CE2 TRP A 6 3.043 0.441 1.664 1.00 0.00 C +ATOM 103 CE3 TRP A 6 0.931 0.375 2.834 1.00 0.00 C +ATOM 104 CZ2 TRP A 6 3.753 0.369 2.869 1.00 0.00 C +ATOM 105 CZ3 TRP A 6 1.631 0.287 4.054 1.00 0.00 C +ATOM 106 CH2 TRP A 6 3.038 0.291 4.074 1.00 0.00 C +ATOM 107 H TRP A 6 -2.437 0.199 -1.406 1.00 0.00 H +ATOM 108 HA TRP A 6 0.095 -1.089 -1.730 1.00 0.00 H +ATOM 109 HB2 TRP A 6 -0.202 1.270 -1.159 1.00 0.00 H +ATOM 110 HB3 TRP A 6 -0.861 0.845 0.413 1.00 0.00 H +ATOM 111 HD1 TRP A 6 2.421 0.666 -1.584 1.00 0.00 H +ATOM 112 HE1 TRP A 6 4.427 0.496 0.079 1.00 0.00 H +ATOM 113 HE3 TRP A 6 -0.148 0.387 2.825 1.00 0.00 H +ATOM 114 HZ2 TRP A 6 4.834 0.356 2.853 1.00 0.00 H +ATOM 115 HZ3 TRP A 6 1.088 0.221 4.984 1.00 0.00 H +ATOM 116 HH2 TRP A 6 3.566 0.226 5.014 1.00 0.00 H +ATOM 117 N LEU A 7 -1.493 -1.950 1.062 1.00 0.00 N +ATOM 118 CA LEU A 7 -1.591 -3.020 2.054 1.00 0.00 C +ATOM 119 C LEU A 7 -1.887 -4.379 1.416 1.00 0.00 C +ATOM 120 O LEU A 7 -1.332 -5.379 1.867 1.00 0.00 O +ATOM 121 CB LEU A 7 -2.648 -2.680 3.119 1.00 0.00 C +ATOM 122 CG LEU A 7 -2.204 -1.596 4.116 1.00 0.00 C +ATOM 123 CD1 LEU A 7 -3.353 -1.276 5.075 1.00 0.00 C +ATOM 124 CD2 LEU A 7 -0.992 -2.019 4.955 1.00 0.00 C +ATOM 125 H LEU A 7 -2.199 -1.215 1.063 1.00 0.00 H +ATOM 126 HA LEU A 7 -0.619 -3.132 2.532 1.00 0.00 H +ATOM 127 HB2 LEU A 7 -3.533 -2.337 2.619 1.00 0.00 H +ATOM 128 HB3 LEU A 7 -2.884 -3.585 3.682 1.00 0.00 H +ATOM 129 HG LEU A 7 -1.950 -0.690 3.572 1.00 0.00 H +ATOM 130 HD11 LEU A 7 -4.247 -1.017 4.508 1.00 0.00 H +ATOM 131 HD12 LEU A 7 -3.565 -2.140 5.705 1.00 0.00 H +ATOM 132 HD13 LEU A 7 -3.079 -0.432 5.708 1.00 0.00 H +ATOM 133 HD21 LEU A 7 -1.200 -2.960 5.466 1.00 0.00 H +ATOM 134 HD22 LEU A 7 -0.115 -2.141 4.324 1.00 0.00 H +ATOM 135 HD23 LEU A 7 -0.770 -1.251 5.695 1.00 0.00 H +ATOM 136 N LYS A 8 -2.704 -4.425 0.351 1.00 0.00 N +ATOM 137 CA LYS A 8 -3.024 -5.667 -0.363 1.00 0.00 C +ATOM 138 C LYS A 8 -1.783 -6.379 -0.902 1.00 0.00 C +ATOM 139 O LYS A 8 -1.714 -7.603 -0.824 1.00 0.00 O +ATOM 140 CB LYS A 8 -4.029 -5.384 -1.498 1.00 0.00 C +ATOM 141 CG LYS A 8 -4.718 -6.666 -1.991 1.00 0.00 C +ATOM 142 CD LYS A 8 -5.727 -7.192 -0.954 1.00 0.00 C +ATOM 143 CE LYS A 8 -5.697 -8.722 -0.865 1.00 0.00 C +ATOM 144 NZ LYS A 8 -6.010 -9.184 0.509 1.00 0.00 N +ATOM 145 H LYS A 8 -3.166 -3.563 0.071 1.00 0.00 H +ATOM 146 HA LYS A 8 -3.461 -6.347 0.365 1.00 0.00 H +ATOM 147 HB2 LYS A 8 -4.778 -4.706 -1.137 1.00 0.00 H +ATOM 148 HB3 LYS A 8 -3.501 -4.924 -2.335 1.00 0.00 H +ATOM 149 HG2 LYS A 8 -5.236 -6.455 -2.907 1.00 0.00 H +ATOM 150 HG3 LYS A 8 -3.961 -7.422 -2.206 1.00 0.00 H +ATOM 151 HD2 LYS A 8 -5.484 -6.782 0.007 1.00 0.00 H +ATOM 152 HD3 LYS A 8 -6.729 -6.861 -1.233 1.00 0.00 H +ATOM 153 HE2 LYS A 8 -6.422 -9.127 -1.544 1.00 0.00 H +ATOM 154 HE3 LYS A 8 -4.703 -9.081 -1.147 1.00 0.00 H +ATOM 155 HZ1 LYS A 8 -5.172 -9.166 1.076 1.00 0.00 H +ATOM 156 HZ2 LYS A 8 -6.699 -8.578 0.933 1.00 0.00 H +ATOM 157 HZ3 LYS A 8 -6.369 -10.130 0.493 1.00 0.00 H +ATOM 158 N ASP A 9 -0.814 -5.616 -1.411 1.00 0.00 N +ATOM 159 CA ASP A 9 0.466 -6.130 -1.902 1.00 0.00 C +ATOM 160 C ASP A 9 1.395 -6.627 -0.772 1.00 0.00 C +ATOM 161 O ASP A 9 2.377 -7.317 -1.041 1.00 0.00 O +ATOM 162 CB ASP A 9 1.145 -5.018 -2.722 1.00 0.00 C +ATOM 163 CG ASP A 9 2.033 -5.572 -3.840 1.00 0.00 C +ATOM 164 OD1 ASP A 9 3.217 -5.858 -3.563 1.00 0.00 O +ATOM 165 OD2 ASP A 9 1.516 -5.670 -4.975 1.00 0.00 O +ATOM 166 H ASP A 9 -0.985 -4.619 -1.475 1.00 0.00 H +ATOM 167 HA ASP A 9 0.267 -6.973 -2.567 1.00 0.00 H +ATOM 168 HB2 ASP A 9 0.385 -4.401 -3.160 1.00 0.00 H +ATOM 169 HB3 ASP A 9 1.730 -4.377 -2.062 1.00 0.00 H +ATOM 170 N GLY A 10 1.124 -6.267 0.493 1.00 0.00 N +ATOM 171 CA GLY A 10 1.948 -6.626 1.656 1.00 0.00 C +ATOM 172 C GLY A 10 2.533 -5.439 2.437 1.00 0.00 C +ATOM 173 O GLY A 10 3.358 -5.653 3.329 1.00 0.00 O +ATOM 174 H GLY A 10 0.279 -5.730 0.656 1.00 0.00 H +ATOM 175 HA2 GLY A 10 1.331 -7.206 2.341 1.00 0.00 H +ATOM 176 HA3 GLY A 10 2.781 -7.257 1.345 1.00 0.00 H +ATOM 177 N GLY A 11 2.128 -4.200 2.126 1.00 0.00 N +ATOM 178 CA GLY A 11 2.561 -2.998 2.829 1.00 0.00 C +ATOM 179 C GLY A 11 4.092 -2.817 2.806 1.00 0.00 C +ATOM 180 O GLY A 11 4.667 -2.692 1.724 1.00 0.00 O +ATOM 181 H GLY A 11 1.538 -4.070 1.311 1.00 0.00 H +ATOM 182 HA2 GLY A 11 2.108 -2.134 2.348 1.00 0.00 H +ATOM 183 HA3 GLY A 11 2.187 -3.048 3.848 1.00 0.00 H +ATOM 184 N PRO A 12 4.785 -2.805 3.967 1.00 0.00 N +ATOM 185 CA PRO A 12 6.246 -2.706 4.011 1.00 0.00 C +ATOM 186 C PRO A 12 6.976 -3.836 3.263 1.00 0.00 C +ATOM 187 O PRO A 12 8.113 -3.645 2.838 1.00 0.00 O +ATOM 188 CB PRO A 12 6.631 -2.710 5.496 1.00 0.00 C +ATOM 189 CG PRO A 12 5.341 -2.359 6.233 1.00 0.00 C +ATOM 190 CD PRO A 12 4.243 -2.888 5.316 1.00 0.00 C +ATOM 191 HA PRO A 12 6.540 -1.751 3.570 1.00 0.00 H +ATOM 192 HB2 PRO A 12 6.984 -3.679 5.793 1.00 0.00 H +ATOM 193 HB3 PRO A 12 7.415 -1.982 5.705 1.00 0.00 H +ATOM 194 HG2 PRO A 12 5.305 -2.841 7.191 1.00 0.00 H +ATOM 195 HG3 PRO A 12 5.252 -1.274 6.318 1.00 0.00 H +ATOM 196 HD2 PRO A 12 4.007 -3.905 5.563 1.00 0.00 H +ATOM 197 HD3 PRO A 12 3.346 -2.281 5.435 1.00 0.00 H +ATOM 198 N SER A 13 6.332 -4.997 3.071 1.00 0.00 N +ATOM 199 CA SER A 13 6.911 -6.174 2.405 1.00 0.00 C +ATOM 200 C SER A 13 6.618 -6.217 0.896 1.00 0.00 C +ATOM 201 O SER A 13 6.579 -7.294 0.305 1.00 0.00 O +ATOM 202 CB SER A 13 6.458 -7.466 3.098 1.00 0.00 C +ATOM 203 OG SER A 13 6.899 -7.491 4.441 1.00 0.00 O +ATOM 204 H SER A 13 5.358 -5.057 3.358 1.00 0.00 H +ATOM 205 HA SER A 13 7.997 -6.129 2.500 1.00 0.00 H +ATOM 206 HB2 SER A 13 5.387 -7.520 3.078 1.00 0.00 H +ATOM 207 HB3 SER A 13 6.893 -8.322 2.581 1.00 0.00 H +ATOM 208 HG SER A 13 6.357 -6.887 4.951 1.00 0.00 H +ATOM 209 N SER A 14 6.432 -5.052 0.265 1.00 0.00 N +ATOM 210 CA SER A 14 6.076 -4.919 -1.157 1.00 0.00 C +ATOM 211 C SER A 14 7.132 -4.174 -1.984 1.00 0.00 C +ATOM 212 O SER A 14 6.929 -3.921 -3.169 1.00 0.00 O +ATOM 213 CB SER A 14 4.715 -4.232 -1.266 1.00 0.00 C +ATOM 214 OG SER A 14 3.775 -4.945 -0.496 1.00 0.00 O +ATOM 215 H SER A 14 6.365 -4.227 0.848 1.00 0.00 H +ATOM 216 HA SER A 14 5.970 -5.909 -1.604 1.00 0.00 H +ATOM 217 HB2 SER A 14 4.790 -3.226 -0.900 1.00 0.00 H +ATOM 218 HB3 SER A 14 4.396 -4.200 -2.306 1.00 0.00 H +ATOM 219 HG SER A 14 3.597 -5.804 -0.924 1.00 0.00 H +ATOM 220 N GLY A 15 8.259 -3.794 -1.363 1.00 0.00 N +ATOM 221 CA GLY A 15 9.337 -3.046 -2.017 1.00 0.00 C +ATOM 222 C GLY A 15 8.945 -1.615 -2.403 1.00 0.00 C +ATOM 223 O GLY A 15 9.471 -1.083 -3.379 1.00 0.00 O +ATOM 224 H GLY A 15 8.370 -4.078 -0.400 1.00 0.00 H +ATOM 225 HA2 GLY A 15 10.194 -2.991 -1.346 1.00 0.00 H +ATOM 226 HA3 GLY A 15 9.646 -3.574 -2.921 1.00 0.00 H +ATOM 227 N ARG A 16 8.005 -1.001 -1.666 1.00 0.00 N +ATOM 228 CA ARG A 16 7.468 0.335 -1.947 1.00 0.00 C +ATOM 229 C ARG A 16 6.939 1.037 -0.683 1.00 0.00 C +ATOM 230 O ARG A 16 6.297 0.382 0.141 1.00 0.00 O +ATOM 231 CB ARG A 16 6.363 0.241 -3.014 1.00 0.00 C +ATOM 232 CG ARG A 16 5.268 -0.802 -2.713 1.00 0.00 C +ATOM 233 CD ARG A 16 4.161 -0.846 -3.770 1.00 0.00 C +ATOM 234 NE ARG A 16 4.681 -1.237 -5.095 1.00 0.00 N +ATOM 235 CZ ARG A 16 5.016 -0.436 -6.099 1.00 0.00 C +ATOM 236 NH1 ARG A 16 4.910 0.871 -6.014 1.00 0.00 N +ATOM 237 NH2 ARG A 16 5.479 -0.936 -7.220 1.00 0.00 N +ATOM 238 H ARG A 16 7.638 -1.499 -0.867 1.00 0.00 H +ATOM 239 HA ARG A 16 8.282 0.927 -2.362 1.00 0.00 H +ATOM 240 HB2 ARG A 16 5.895 1.203 -3.097 1.00 0.00 H +ATOM 241 HB3 ARG A 16 6.844 -0.019 -3.959 1.00 0.00 H +ATOM 242 HG2 ARG A 16 5.727 -1.771 -2.660 1.00 0.00 H +ATOM 243 HG3 ARG A 16 4.810 -0.587 -1.750 1.00 0.00 H +ATOM 244 HD2 ARG A 16 3.418 -1.558 -3.465 1.00 0.00 H +ATOM 245 HD3 ARG A 16 3.662 0.123 -3.814 1.00 0.00 H +ATOM 246 HE ARG A 16 4.831 -2.228 -5.227 1.00 0.00 H +ATOM 247 HH11 ARG A 16 4.571 1.257 -5.151 1.00 0.00 H +ATOM 248 HH12 ARG A 16 5.171 1.470 -6.773 1.00 0.00 H +ATOM 249 HH21 ARG A 16 5.580 -1.932 -7.319 1.00 0.00 H +ATOM 250 HH22 ARG A 16 5.740 -0.329 -7.975 1.00 0.00 H +ATOM 251 N PRO A 17 7.146 2.361 -0.541 1.00 0.00 N +ATOM 252 CA PRO A 17 6.642 3.137 0.592 1.00 0.00 C +ATOM 253 C PRO A 17 5.117 3.361 0.511 1.00 0.00 C +ATOM 254 O PRO A 17 4.532 3.158 -0.557 1.00 0.00 O +ATOM 255 CB PRO A 17 7.416 4.460 0.520 1.00 0.00 C +ATOM 256 CG PRO A 17 7.671 4.652 -0.972 1.00 0.00 C +ATOM 257 CD PRO A 17 7.829 3.228 -1.493 1.00 0.00 C +ATOM 258 HA PRO A 17 6.878 2.623 1.524 1.00 0.00 H +ATOM 259 HB2 PRO A 17 6.830 5.268 0.915 1.00 0.00 H +ATOM 260 HB3 PRO A 17 8.368 4.346 1.042 1.00 0.00 H +ATOM 261 HG2 PRO A 17 6.841 5.143 -1.443 1.00 0.00 H +ATOM 262 HG3 PRO A 17 8.569 5.244 -1.152 1.00 0.00 H +ATOM 263 HD2 PRO A 17 7.382 3.137 -2.464 1.00 0.00 H +ATOM 264 HD3 PRO A 17 8.886 2.963 -1.532 1.00 0.00 H +ATOM 265 N PRO A 18 4.468 3.790 1.613 1.00 0.00 N +ATOM 266 CA PRO A 18 3.035 4.076 1.629 1.00 0.00 C +ATOM 267 C PRO A 18 2.678 5.275 0.730 1.00 0.00 C +ATOM 268 O PRO A 18 3.501 6.177 0.557 1.00 0.00 O +ATOM 269 CB PRO A 18 2.681 4.342 3.098 1.00 0.00 C +ATOM 270 CG PRO A 18 3.998 4.812 3.711 1.00 0.00 C +ATOM 271 CD PRO A 18 5.049 4.030 2.928 1.00 0.00 C +ATOM 272 HA PRO A 18 2.502 3.188 1.294 1.00 0.00 H +ATOM 273 HB2 PRO A 18 1.929 5.103 3.178 1.00 0.00 H +ATOM 274 HB3 PRO A 18 2.369 3.411 3.573 1.00 0.00 H +ATOM 275 HG2 PRO A 18 4.128 5.869 3.579 1.00 0.00 H +ATOM 276 HG3 PRO A 18 4.048 4.597 4.778 1.00 0.00 H +ATOM 277 HD2 PRO A 18 5.952 4.603 2.839 1.00 0.00 H +ATOM 278 HD3 PRO A 18 5.240 3.074 3.417 1.00 0.00 H +ATOM 279 N PRO A 19 1.456 5.312 0.158 1.00 0.00 N +ATOM 280 CA PRO A 19 1.020 6.389 -0.730 1.00 0.00 C +ATOM 281 C PRO A 19 0.573 7.658 0.014 1.00 0.00 C +ATOM 282 O PRO A 19 0.781 8.756 -0.501 1.00 0.00 O +ATOM 283 CB PRO A 19 -0.147 5.799 -1.525 1.00 0.00 C +ATOM 284 CG PRO A 19 -0.739 4.750 -0.582 1.00 0.00 C +ATOM 285 CD PRO A 19 0.461 4.252 0.217 1.00 0.00 C +ATOM 286 HA PRO A 19 1.824 6.660 -1.417 1.00 0.00 H +ATOM 287 HB2 PRO A 19 -0.871 6.555 -1.758 1.00 0.00 H +ATOM 288 HB3 PRO A 19 0.235 5.311 -2.422 1.00 0.00 H +ATOM 289 HG2 PRO A 19 -1.472 5.190 0.066 1.00 0.00 H +ATOM 290 HG3 PRO A 19 -1.196 3.933 -1.136 1.00 0.00 H +ATOM 291 HD2 PRO A 19 0.178 4.064 1.235 1.00 0.00 H +ATOM 292 HD3 PRO A 19 0.863 3.356 -0.255 1.00 0.00 H +ATOM 293 N SER A 20 -0.071 7.506 1.180 1.00 0.00 N +ATOM 294 CA SER A 20 -0.495 8.598 2.070 1.00 0.00 C +ATOM 295 C SER A 20 0.609 8.944 3.064 1.00 0.00 C +ATOM 296 O SER A 20 0.894 10.155 3.181 1.00 0.00 O +ATOM 297 CB SER A 20 -1.736 8.215 2.879 1.00 0.00 C +ATOM 298 OG SER A 20 -2.830 7.879 2.044 1.00 0.00 O +ATOM 299 OXT SER A 20 1.084 7.996 3.730 1.00 0.00 O +ATOM 300 H SER A 20 -0.157 6.569 1.538 1.00 0.00 H +ATOM 301 HA SER A 20 -0.699 9.493 1.486 1.00 0.00 H +ATOM 302 HB2 SER A 20 -1.500 7.370 3.497 1.00 0.00 H +ATOM 303 HB3 SER A 20 -2.011 9.052 3.523 1.00 0.00 H +ATOM 304 HG SER A 20 -3.169 8.700 1.678 1.00 0.00 H +TER 305 SER A 20 +ENDMDL +MODEL 23 +ATOM 1 N ASN A 1 -8.995 5.512 -1.807 1.00 0.00 N +ATOM 2 CA ASN A 1 -8.139 5.500 -0.596 1.00 0.00 C +ATOM 3 C ASN A 1 -6.657 5.213 -0.847 1.00 0.00 C +ATOM 4 O ASN A 1 -5.857 5.704 -0.062 1.00 0.00 O +ATOM 5 CB ASN A 1 -8.684 4.564 0.498 1.00 0.00 C +ATOM 6 CG ASN A 1 -9.123 5.373 1.709 1.00 0.00 C +ATOM 7 OD1 ASN A 1 -10.305 5.507 1.971 1.00 0.00 O +ATOM 8 ND2 ASN A 1 -8.201 5.977 2.436 1.00 0.00 N +ATOM 9 H1 ASN A 1 -8.610 6.132 -2.507 1.00 0.00 H +ATOM 10 H2 ASN A 1 -9.086 4.582 -2.189 1.00 0.00 H +ATOM 11 H3 ASN A 1 -9.920 5.841 -1.561 1.00 0.00 H +ATOM 12 HA ASN A 1 -8.157 6.511 -0.184 1.00 0.00 H +ATOM 13 HB2 ASN A 1 -9.524 4.019 0.112 1.00 0.00 H +ATOM 14 HB3 ASN A 1 -7.920 3.855 0.818 1.00 0.00 H +ATOM 15 HD21 ASN A 1 -7.210 5.924 2.252 1.00 0.00 H +ATOM 16 HD22 ASN A 1 -8.568 6.492 3.222 1.00 0.00 H +ATOM 17 N LEU A 2 -6.287 4.419 -1.870 1.00 0.00 N +ATOM 18 CA LEU A 2 -4.918 3.992 -2.233 1.00 0.00 C +ATOM 19 C LEU A 2 -4.198 3.117 -1.189 1.00 0.00 C +ATOM 20 O LEU A 2 -3.649 2.074 -1.544 1.00 0.00 O +ATOM 21 CB LEU A 2 -4.033 5.181 -2.661 1.00 0.00 C +ATOM 22 CG LEU A 2 -4.577 5.992 -3.859 1.00 0.00 C +ATOM 23 CD1 LEU A 2 -5.182 7.328 -3.410 1.00 0.00 C +ATOM 24 CD2 LEU A 2 -3.464 6.283 -4.867 1.00 0.00 C +ATOM 25 H LEU A 2 -6.993 4.011 -2.461 1.00 0.00 H +ATOM 26 HA LEU A 2 -5.014 3.355 -3.115 1.00 0.00 H +ATOM 27 HB2 LEU A 2 -3.937 5.845 -1.824 1.00 0.00 H +ATOM 28 HB3 LEU A 2 -3.061 4.766 -2.935 1.00 0.00 H +ATOM 29 HG LEU A 2 -5.348 5.414 -4.371 1.00 0.00 H +ATOM 30 HD11 LEU A 2 -6.031 7.162 -2.754 1.00 0.00 H +ATOM 31 HD12 LEU A 2 -4.432 7.916 -2.879 1.00 0.00 H +ATOM 32 HD13 LEU A 2 -5.517 7.893 -4.282 1.00 0.00 H +ATOM 33 HD21 LEU A 2 -2.669 6.860 -4.395 1.00 0.00 H +ATOM 34 HD22 LEU A 2 -3.056 5.346 -5.245 1.00 0.00 H +ATOM 35 HD23 LEU A 2 -3.867 6.848 -5.709 1.00 0.00 H +ATOM 36 N TYR A 3 -4.220 3.498 0.091 1.00 0.00 N +ATOM 37 CA TYR A 3 -3.550 2.790 1.185 1.00 0.00 C +ATOM 38 C TYR A 3 -3.980 1.315 1.283 1.00 0.00 C +ATOM 39 O TYR A 3 -3.150 0.440 1.515 1.00 0.00 O +ATOM 40 CB TYR A 3 -3.809 3.544 2.496 1.00 0.00 C +ATOM 41 CG TYR A 3 -2.752 3.301 3.554 1.00 0.00 C +ATOM 42 CD1 TYR A 3 -2.869 2.215 4.443 1.00 0.00 C +ATOM 43 CD2 TYR A 3 -1.653 4.178 3.655 1.00 0.00 C +ATOM 44 CE1 TYR A 3 -1.899 2.018 5.443 1.00 0.00 C +ATOM 45 CE2 TYR A 3 -0.683 3.985 4.655 1.00 0.00 C +ATOM 46 CZ TYR A 3 -0.812 2.911 5.561 1.00 0.00 C +ATOM 47 OH TYR A 3 0.085 2.742 6.568 1.00 0.00 O +ATOM 48 H TYR A 3 -4.660 4.395 0.286 1.00 0.00 H +ATOM 49 HA TYR A 3 -2.478 2.809 0.991 1.00 0.00 H +ATOM 50 HB2 TYR A 3 -3.840 4.595 2.283 1.00 0.00 H +ATOM 51 HB3 TYR A 3 -4.790 3.270 2.890 1.00 0.00 H +ATOM 52 HD1 TYR A 3 -3.710 1.538 4.369 1.00 0.00 H +ATOM 53 HD2 TYR A 3 -1.555 5.018 2.982 1.00 0.00 H +ATOM 54 HE1 TYR A 3 -1.977 1.210 6.151 1.00 0.00 H +ATOM 55 HE2 TYR A 3 0.149 4.672 4.736 1.00 0.00 H +ATOM 56 HH TYR A 3 0.563 3.552 6.750 1.00 0.00 H +ATOM 57 N ILE A 4 -5.264 1.030 1.024 1.00 0.00 N +ATOM 58 CA ILE A 4 -5.827 -0.326 0.952 1.00 0.00 C +ATOM 59 C ILE A 4 -5.114 -1.151 -0.131 1.00 0.00 C +ATOM 60 O ILE A 4 -4.658 -2.257 0.147 1.00 0.00 O +ATOM 61 CB ILE A 4 -7.356 -0.272 0.705 1.00 0.00 C +ATOM 62 CG1 ILE A 4 -8.110 0.581 1.757 1.00 0.00 C +ATOM 63 CG2 ILE A 4 -7.947 -1.695 0.687 1.00 0.00 C +ATOM 64 CD1 ILE A 4 -9.451 1.106 1.228 1.00 0.00 C +ATOM 65 H ILE A 4 -5.870 1.816 0.855 1.00 0.00 H +ATOM 66 HA ILE A 4 -5.652 -0.820 1.909 1.00 0.00 H +ATOM 67 HB ILE A 4 -7.515 0.178 -0.278 1.00 0.00 H +ATOM 68 HG12 ILE A 4 -8.294 -0.024 2.624 1.00 0.00 H +ATOM 69 HG13 ILE A 4 -7.523 1.453 2.040 1.00 0.00 H +ATOM 70 HG21 ILE A 4 -7.530 -2.276 -0.135 1.00 0.00 H +ATOM 71 HG22 ILE A 4 -7.726 -2.202 1.628 1.00 0.00 H +ATOM 72 HG23 ILE A 4 -9.028 -1.659 0.555 1.00 0.00 H +ATOM 73 HD11 ILE A 4 -9.295 1.636 0.288 1.00 0.00 H +ATOM 74 HD12 ILE A 4 -10.147 0.285 1.062 1.00 0.00 H +ATOM 75 HD13 ILE A 4 -9.883 1.794 1.955 1.00 0.00 H +ATOM 76 N GLN A 5 -4.980 -0.613 -1.354 1.00 0.00 N +ATOM 77 CA GLN A 5 -4.248 -1.254 -2.452 1.00 0.00 C +ATOM 78 C GLN A 5 -2.764 -1.451 -2.115 1.00 0.00 C +ATOM 79 O GLN A 5 -2.210 -2.510 -2.406 1.00 0.00 O +ATOM 80 CB GLN A 5 -4.397 -0.444 -3.752 1.00 0.00 C +ATOM 81 CG GLN A 5 -5.780 -0.585 -4.421 1.00 0.00 C +ATOM 82 CD GLN A 5 -5.677 -1.049 -5.874 1.00 0.00 C +ATOM 83 OE1 GLN A 5 -4.908 -0.532 -6.667 1.00 0.00 O +ATOM 84 NE2 GLN A 5 -6.453 -2.034 -6.287 1.00 0.00 N +ATOM 85 H GLN A 5 -5.284 0.340 -1.486 1.00 0.00 H +ATOM 86 HA GLN A 5 -4.665 -2.247 -2.623 1.00 0.00 H +ATOM 87 HB2 GLN A 5 -4.235 0.592 -3.525 1.00 0.00 H +ATOM 88 HB3 GLN A 5 -3.627 -0.786 -4.446 1.00 0.00 H +ATOM 89 HG2 GLN A 5 -6.358 -1.301 -3.870 1.00 0.00 H +ATOM 90 HG3 GLN A 5 -6.280 0.383 -4.410 1.00 0.00 H +ATOM 91 HE21 GLN A 5 -7.135 -2.486 -5.703 1.00 0.00 H +ATOM 92 HE22 GLN A 5 -6.309 -2.278 -7.253 1.00 0.00 H +ATOM 93 N TRP A 6 -2.122 -0.471 -1.467 1.00 0.00 N +ATOM 94 CA TRP A 6 -0.752 -0.626 -0.970 1.00 0.00 C +ATOM 95 C TRP A 6 -0.626 -1.773 0.051 1.00 0.00 C +ATOM 96 O TRP A 6 0.275 -2.606 -0.073 1.00 0.00 O +ATOM 97 CB TRP A 6 -0.246 0.708 -0.409 1.00 0.00 C +ATOM 98 CG TRP A 6 1.122 0.638 0.187 1.00 0.00 C +ATOM 99 CD1 TRP A 6 2.283 0.580 -0.505 1.00 0.00 C +ATOM 100 CD2 TRP A 6 1.498 0.590 1.599 1.00 0.00 C +ATOM 101 NE1 TRP A 6 3.337 0.446 0.374 1.00 0.00 N +ATOM 102 CE2 TRP A 6 2.919 0.485 1.681 1.00 0.00 C +ATOM 103 CE3 TRP A 6 0.791 0.638 2.820 1.00 0.00 C +ATOM 104 CZ2 TRP A 6 3.609 0.442 2.898 1.00 0.00 C +ATOM 105 CZ3 TRP A 6 1.472 0.592 4.050 1.00 0.00 C +ATOM 106 CH2 TRP A 6 2.875 0.504 4.093 1.00 0.00 C +ATOM 107 H TRP A 6 -2.627 0.394 -1.292 1.00 0.00 H +ATOM 108 HA TRP A 6 -0.116 -0.900 -1.810 1.00 0.00 H +ATOM 109 HB2 TRP A 6 -0.230 1.425 -1.207 1.00 0.00 H +ATOM 110 HB3 TRP A 6 -0.932 1.060 0.358 1.00 0.00 H +ATOM 111 HD1 TRP A 6 2.377 0.619 -1.579 1.00 0.00 H +ATOM 112 HE1 TRP A 6 4.319 0.364 0.099 1.00 0.00 H +ATOM 113 HE3 TRP A 6 -0.286 0.722 2.803 1.00 0.00 H +ATOM 114 HZ2 TRP A 6 4.686 0.366 2.903 1.00 0.00 H +ATOM 115 HZ3 TRP A 6 0.916 0.637 4.976 1.00 0.00 H +ATOM 116 HH2 TRP A 6 3.385 0.485 5.046 1.00 0.00 H +ATOM 117 N LEU A 7 -1.546 -1.866 1.019 1.00 0.00 N +ATOM 118 CA LEU A 7 -1.600 -2.993 1.954 1.00 0.00 C +ATOM 119 C LEU A 7 -1.891 -4.331 1.257 1.00 0.00 C +ATOM 120 O LEU A 7 -1.258 -5.322 1.617 1.00 0.00 O +ATOM 121 CB LEU A 7 -2.629 -2.736 3.069 1.00 0.00 C +ATOM 122 CG LEU A 7 -2.255 -1.624 4.066 1.00 0.00 C +ATOM 123 CD1 LEU A 7 -3.410 -1.464 5.059 1.00 0.00 C +ATOM 124 CD2 LEU A 7 -0.975 -1.930 4.852 1.00 0.00 C +ATOM 125 H LEU A 7 -2.238 -1.124 1.101 1.00 0.00 H +ATOM 126 HA LEU A 7 -0.616 -3.103 2.408 1.00 0.00 H +ATOM 127 HB2 LEU A 7 -3.559 -2.467 2.606 1.00 0.00 H +ATOM 128 HB3 LEU A 7 -2.758 -3.662 3.632 1.00 0.00 H +ATOM 129 HG LEU A 7 -2.117 -0.684 3.539 1.00 0.00 H +ATOM 130 HD11 LEU A 7 -4.330 -1.232 4.522 1.00 0.00 H +ATOM 131 HD12 LEU A 7 -3.546 -2.384 5.627 1.00 0.00 H +ATOM 132 HD13 LEU A 7 -3.198 -0.653 5.753 1.00 0.00 H +ATOM 133 HD21 LEU A 7 -1.059 -2.897 5.349 1.00 0.00 H +ATOM 134 HD22 LEU A 7 -0.117 -1.940 4.182 1.00 0.00 H +ATOM 135 HD23 LEU A 7 -0.809 -1.154 5.600 1.00 0.00 H +ATOM 136 N LYS A 8 -2.780 -4.375 0.246 1.00 0.00 N +ATOM 137 CA LYS A 8 -3.068 -5.596 -0.534 1.00 0.00 C +ATOM 138 C LYS A 8 -1.816 -6.219 -1.151 1.00 0.00 C +ATOM 139 O LYS A 8 -1.740 -7.439 -1.237 1.00 0.00 O +ATOM 140 CB LYS A 8 -4.081 -5.335 -1.662 1.00 0.00 C +ATOM 141 CG LYS A 8 -5.498 -4.986 -1.175 1.00 0.00 C +ATOM 142 CD LYS A 8 -6.576 -5.917 -1.747 1.00 0.00 C +ATOM 143 CE LYS A 8 -6.443 -7.334 -1.176 1.00 0.00 C +ATOM 144 NZ LYS A 8 -7.563 -8.199 -1.611 1.00 0.00 N +ATOM 145 H LYS A 8 -3.304 -3.525 0.051 1.00 0.00 H +ATOM 146 HA LYS A 8 -3.475 -6.350 0.141 1.00 0.00 H +ATOM 147 HB2 LYS A 8 -3.719 -4.518 -2.256 1.00 0.00 H +ATOM 148 HB3 LYS A 8 -4.124 -6.228 -2.289 1.00 0.00 H +ATOM 149 HG2 LYS A 8 -5.519 -5.056 -0.105 1.00 0.00 H +ATOM 150 HG3 LYS A 8 -5.730 -3.973 -1.499 1.00 0.00 H +ATOM 151 HD2 LYS A 8 -7.544 -5.528 -1.496 1.00 0.00 H +ATOM 152 HD3 LYS A 8 -6.493 -5.943 -2.836 1.00 0.00 H +ATOM 153 HE2 LYS A 8 -5.519 -7.762 -1.515 1.00 0.00 H +ATOM 154 HE3 LYS A 8 -6.423 -7.269 -0.084 1.00 0.00 H +ATOM 155 HZ1 LYS A 8 -8.442 -7.832 -1.266 1.00 0.00 H +ATOM 156 HZ2 LYS A 8 -7.603 -8.242 -2.621 1.00 0.00 H +ATOM 157 HZ3 LYS A 8 -7.442 -9.138 -1.253 1.00 0.00 H +ATOM 158 N ASP A 9 -0.849 -5.393 -1.556 1.00 0.00 N +ATOM 159 CA ASP A 9 0.436 -5.853 -2.083 1.00 0.00 C +ATOM 160 C ASP A 9 1.332 -6.506 -1.009 1.00 0.00 C +ATOM 161 O ASP A 9 2.223 -7.275 -1.345 1.00 0.00 O +ATOM 162 CB ASP A 9 1.145 -4.662 -2.744 1.00 0.00 C +ATOM 163 CG ASP A 9 2.097 -5.123 -3.846 1.00 0.00 C +ATOM 164 OD1 ASP A 9 3.259 -5.441 -3.507 1.00 0.00 O +ATOM 165 OD2 ASP A 9 1.661 -5.116 -5.015 1.00 0.00 O +ATOM 166 H ASP A 9 -1.027 -4.396 -1.508 1.00 0.00 H +ATOM 167 HA ASP A 9 0.243 -6.603 -2.852 1.00 0.00 H +ATOM 168 HB2 ASP A 9 0.408 -4.009 -3.170 1.00 0.00 H +ATOM 169 HB3 ASP A 9 1.699 -4.094 -1.991 1.00 0.00 H +ATOM 170 N GLY A 10 1.085 -6.233 0.280 1.00 0.00 N +ATOM 171 CA GLY A 10 1.935 -6.630 1.406 1.00 0.00 C +ATOM 172 C GLY A 10 2.538 -5.448 2.178 1.00 0.00 C +ATOM 173 O GLY A 10 3.381 -5.658 3.052 1.00 0.00 O +ATOM 174 H GLY A 10 0.224 -5.740 0.500 1.00 0.00 H +ATOM 175 HA2 GLY A 10 1.338 -7.217 2.103 1.00 0.00 H +ATOM 176 HA3 GLY A 10 2.755 -7.257 1.056 1.00 0.00 H +ATOM 177 N GLY A 11 2.139 -4.205 1.865 1.00 0.00 N +ATOM 178 CA GLY A 11 2.660 -3.003 2.510 1.00 0.00 C +ATOM 179 C GLY A 11 4.193 -2.919 2.402 1.00 0.00 C +ATOM 180 O GLY A 11 4.722 -3.051 1.294 1.00 0.00 O +ATOM 181 H GLY A 11 1.481 -4.078 1.104 1.00 0.00 H +ATOM 182 HA2 GLY A 11 2.230 -2.129 2.025 1.00 0.00 H +ATOM 183 HA3 GLY A 11 2.339 -3.009 3.550 1.00 0.00 H +ATOM 184 N PRO A 12 4.936 -2.732 3.516 1.00 0.00 N +ATOM 185 CA PRO A 12 6.401 -2.697 3.498 1.00 0.00 C +ATOM 186 C PRO A 12 7.057 -3.980 2.962 1.00 0.00 C +ATOM 187 O PRO A 12 8.194 -3.921 2.498 1.00 0.00 O +ATOM 188 CB PRO A 12 6.843 -2.444 4.945 1.00 0.00 C +ATOM 189 CG PRO A 12 5.600 -1.887 5.633 1.00 0.00 C +ATOM 190 CD PRO A 12 4.459 -2.571 4.884 1.00 0.00 C +ATOM 191 HA PRO A 12 6.718 -1.858 2.877 1.00 0.00 H +ATOM 192 HB2 PRO A 12 7.157 -3.358 5.411 1.00 0.00 H +ATOM 193 HB3 PRO A 12 7.673 -1.736 4.990 1.00 0.00 H +ATOM 194 HG2 PRO A 12 5.587 -2.145 6.675 1.00 0.00 H +ATOM 195 HG3 PRO A 12 5.548 -0.809 5.478 1.00 0.00 H +ATOM 196 HD2 PRO A 12 4.243 -3.527 5.321 1.00 0.00 H +ATOM 197 HD3 PRO A 12 3.561 -1.958 4.940 1.00 0.00 H +ATOM 198 N SER A 13 6.364 -5.132 2.996 1.00 0.00 N +ATOM 199 CA SER A 13 6.922 -6.427 2.577 1.00 0.00 C +ATOM 200 C SER A 13 7.348 -6.452 1.106 1.00 0.00 C +ATOM 201 O SER A 13 8.273 -7.185 0.760 1.00 0.00 O +ATOM 202 CB SER A 13 5.902 -7.544 2.812 1.00 0.00 C +ATOM 203 OG SER A 13 6.513 -8.805 2.628 1.00 0.00 O +ATOM 204 H SER A 13 5.404 -5.115 3.326 1.00 0.00 H +ATOM 205 HA SER A 13 7.802 -6.636 3.185 1.00 0.00 H +ATOM 206 HB2 SER A 13 5.525 -7.475 3.814 1.00 0.00 H +ATOM 207 HB3 SER A 13 5.073 -7.436 2.110 1.00 0.00 H +ATOM 208 HG SER A 13 6.978 -8.809 1.779 1.00 0.00 H +ATOM 209 N SER A 14 6.688 -5.663 0.253 1.00 0.00 N +ATOM 210 CA SER A 14 7.033 -5.491 -1.164 1.00 0.00 C +ATOM 211 C SER A 14 8.036 -4.355 -1.407 1.00 0.00 C +ATOM 212 O SER A 14 8.270 -3.979 -2.556 1.00 0.00 O +ATOM 213 CB SER A 14 5.763 -5.217 -1.973 1.00 0.00 C +ATOM 214 OG SER A 14 4.936 -6.345 -2.040 1.00 0.00 O +ATOM 215 H SER A 14 5.903 -5.135 0.612 1.00 0.00 H +ATOM 216 HA SER A 14 7.475 -6.413 -1.545 1.00 0.00 H +ATOM 217 HB2 SER A 14 5.221 -4.416 -1.508 1.00 0.00 H +ATOM 218 HB3 SER A 14 6.026 -4.948 -2.995 1.00 0.00 H +ATOM 219 HG SER A 14 4.164 -6.059 -2.655 1.00 0.00 H +ATOM 220 N GLY A 15 8.590 -3.733 -0.358 1.00 0.00 N +ATOM 221 CA GLY A 15 9.577 -2.650 -0.433 1.00 0.00 C +ATOM 222 C GLY A 15 9.029 -1.291 -0.893 1.00 0.00 C +ATOM 223 O GLY A 15 9.565 -0.255 -0.498 1.00 0.00 O +ATOM 224 H GLY A 15 8.346 -4.054 0.578 1.00 0.00 H +ATOM 225 HA2 GLY A 15 10.022 -2.519 0.554 1.00 0.00 H +ATOM 226 HA3 GLY A 15 10.370 -2.944 -1.121 1.00 0.00 H +ATOM 227 N ARG A 16 7.961 -1.275 -1.702 1.00 0.00 N +ATOM 228 CA ARG A 16 7.253 -0.068 -2.152 1.00 0.00 C +ATOM 229 C ARG A 16 6.758 0.782 -0.961 1.00 0.00 C +ATOM 230 O ARG A 16 6.062 0.249 -0.094 1.00 0.00 O +ATOM 231 CB ARG A 16 6.114 -0.429 -3.128 1.00 0.00 C +ATOM 232 CG ARG A 16 5.073 -1.437 -2.599 1.00 0.00 C +ATOM 233 CD ARG A 16 4.058 -1.882 -3.667 1.00 0.00 C +ATOM 234 NE ARG A 16 2.925 -0.944 -3.816 1.00 0.00 N +ATOM 235 CZ ARG A 16 2.827 0.118 -4.610 1.00 0.00 C +ATOM 236 NH1 ARG A 16 3.797 0.480 -5.418 1.00 0.00 N +ATOM 237 NH2 ARG A 16 1.736 0.848 -4.603 1.00 0.00 N +ATOM 238 H ARG A 16 7.673 -2.184 -2.046 1.00 0.00 H +ATOM 239 HA ARG A 16 7.981 0.515 -2.712 1.00 0.00 H +ATOM 240 HB2 ARG A 16 5.597 0.477 -3.381 1.00 0.00 H +ATOM 241 HB3 ARG A 16 6.567 -0.849 -4.028 1.00 0.00 H +ATOM 242 HG2 ARG A 16 5.592 -2.305 -2.239 1.00 0.00 H +ATOM 243 HG3 ARG A 16 4.537 -1.022 -1.749 1.00 0.00 H +ATOM 244 HD2 ARG A 16 4.565 -1.958 -4.610 1.00 0.00 H +ATOM 245 HD3 ARG A 16 3.649 -2.842 -3.350 1.00 0.00 H +ATOM 246 HE ARG A 16 2.106 -1.187 -3.286 1.00 0.00 H +ATOM 247 HH11 ARG A 16 4.617 -0.096 -5.446 1.00 0.00 H +ATOM 248 HH12 ARG A 16 3.713 1.284 -6.011 1.00 0.00 H +ATOM 249 HH21 ARG A 16 0.947 0.584 -4.042 1.00 0.00 H +ATOM 250 HH22 ARG A 16 1.678 1.660 -5.191 1.00 0.00 H +ATOM 251 N PRO A 17 7.067 2.094 -0.905 1.00 0.00 N +ATOM 252 CA PRO A 17 6.620 2.967 0.182 1.00 0.00 C +ATOM 253 C PRO A 17 5.099 3.227 0.122 1.00 0.00 C +ATOM 254 O PRO A 17 4.486 3.009 -0.928 1.00 0.00 O +ATOM 255 CB PRO A 17 7.427 4.260 0.005 1.00 0.00 C +ATOM 256 CG PRO A 17 7.667 4.322 -1.501 1.00 0.00 C +ATOM 257 CD PRO A 17 7.835 2.854 -1.882 1.00 0.00 C +ATOM 258 HA PRO A 17 6.870 2.512 1.140 1.00 0.00 H +ATOM 259 HB2 PRO A 17 6.867 5.112 0.340 1.00 0.00 H +ATOM 260 HB3 PRO A 17 8.385 4.162 0.519 1.00 0.00 H +ATOM 261 HG2 PRO A 17 6.828 4.758 -2.008 1.00 0.00 H +ATOM 262 HG3 PRO A 17 8.552 4.908 -1.749 1.00 0.00 H +ATOM 263 HD2 PRO A 17 7.456 2.680 -2.871 1.00 0.00 H +ATOM 264 HD3 PRO A 17 8.888 2.571 -1.812 1.00 0.00 H +ATOM 265 N PRO A 18 4.480 3.698 1.223 1.00 0.00 N +ATOM 266 CA PRO A 18 3.051 4.007 1.257 1.00 0.00 C +ATOM 267 C PRO A 18 2.699 5.236 0.396 1.00 0.00 C +ATOM 268 O PRO A 18 3.570 6.059 0.111 1.00 0.00 O +ATOM 269 CB PRO A 18 2.722 4.232 2.738 1.00 0.00 C +ATOM 270 CG PRO A 18 4.041 4.721 3.329 1.00 0.00 C +ATOM 271 CD PRO A 18 5.086 3.950 2.524 1.00 0.00 C +ATOM 272 HA PRO A 18 2.496 3.146 0.892 1.00 0.00 H +ATOM 273 HB2 PRO A 18 1.954 4.972 2.852 1.00 0.00 H +ATOM 274 HB3 PRO A 18 2.449 3.284 3.200 1.00 0.00 H +ATOM 275 HG2 PRO A 18 4.155 5.779 3.195 1.00 0.00 H +ATOM 276 HG3 PRO A 18 4.113 4.505 4.395 1.00 0.00 H +ATOM 277 HD2 PRO A 18 5.979 4.535 2.413 1.00 0.00 H +ATOM 278 HD3 PRO A 18 5.300 2.999 3.013 1.00 0.00 H +ATOM 279 N PRO A 19 1.420 5.393 -0.004 1.00 0.00 N +ATOM 280 CA PRO A 19 0.957 6.533 -0.802 1.00 0.00 C +ATOM 281 C PRO A 19 0.749 7.823 0.014 1.00 0.00 C +ATOM 282 O PRO A 19 0.677 8.899 -0.575 1.00 0.00 O +ATOM 283 CB PRO A 19 -0.367 6.064 -1.415 1.00 0.00 C +ATOM 284 CG PRO A 19 -0.913 5.086 -0.375 1.00 0.00 C +ATOM 285 CD PRO A 19 0.348 4.422 0.169 1.00 0.00 C +ATOM 286 HA PRO A 19 1.669 6.748 -1.599 1.00 0.00 H +ATOM 287 HB2 PRO A 19 -1.038 6.889 -1.556 1.00 0.00 H +ATOM 288 HB3 PRO A 19 -0.164 5.530 -2.346 1.00 0.00 H +ATOM 289 HG2 PRO A 19 -1.441 5.605 0.402 1.00 0.00 H +ATOM 290 HG3 PRO A 19 -1.584 4.357 -0.825 1.00 0.00 H +ATOM 291 HD2 PRO A 19 0.225 4.183 1.208 1.00 0.00 H +ATOM 292 HD3 PRO A 19 0.576 3.535 -0.421 1.00 0.00 H +ATOM 293 N SER A 20 0.622 7.704 1.342 1.00 0.00 N +ATOM 294 CA SER A 20 0.537 8.783 2.335 1.00 0.00 C +ATOM 295 C SER A 20 1.931 9.218 2.798 1.00 0.00 C +ATOM 296 O SER A 20 2.563 8.335 3.437 1.00 0.00 O +ATOM 297 CB SER A 20 -0.247 8.262 3.545 1.00 0.00 C +ATOM 298 OG SER A 20 0.531 7.207 4.069 1.00 0.00 O +ATOM 299 OXT SER A 20 2.277 10.398 2.599 1.00 0.00 O +ATOM 300 H SER A 20 0.701 6.779 1.733 1.00 0.00 H +ATOM 301 HA SER A 20 0.039 9.654 1.908 1.00 0.00 H +ATOM 302 HB2 SER A 20 -0.369 9.038 4.276 1.00 0.00 H +ATOM 303 HB3 SER A 20 -1.237 7.911 3.252 1.00 0.00 H +ATOM 304 HG SER A 20 1.480 7.561 3.895 1.00 0.00 H +TER 305 SER A 20 +ENDMDL +MODEL 24 +ATOM 1 N ASN A 1 -6.292 7.385 1.128 1.00 0.00 N +ATOM 2 CA ASN A 1 -7.232 6.863 0.107 1.00 0.00 C +ATOM 3 C ASN A 1 -6.739 5.538 -0.485 1.00 0.00 C +ATOM 4 O ASN A 1 -7.431 4.543 -0.336 1.00 0.00 O +ATOM 5 CB ASN A 1 -7.545 7.923 -0.975 1.00 0.00 C +ATOM 6 CG ASN A 1 -6.313 8.297 -1.796 1.00 0.00 C +ATOM 7 OD1 ASN A 1 -5.208 8.306 -1.270 1.00 0.00 O +ATOM 8 ND2 ASN A 1 -6.440 8.526 -3.087 1.00 0.00 N +ATOM 9 H1 ASN A 1 -6.040 6.659 1.782 1.00 0.00 H +ATOM 10 H2 ASN A 1 -5.460 7.735 0.662 1.00 0.00 H +ATOM 11 H3 ASN A 1 -6.719 8.150 1.634 1.00 0.00 H +ATOM 12 HA ASN A 1 -8.173 6.624 0.607 1.00 0.00 H +ATOM 13 HB2 ASN A 1 -8.294 7.530 -1.636 1.00 0.00 H +ATOM 14 HB3 ASN A 1 -7.929 8.825 -0.499 1.00 0.00 H +ATOM 15 HD21 ASN A 1 -7.324 8.491 -3.570 1.00 0.00 H +ATOM 16 HD22 ASN A 1 -5.584 8.752 -3.571 1.00 0.00 H +ATOM 17 N LEU A 2 -5.556 5.496 -1.115 1.00 0.00 N +ATOM 18 CA LEU A 2 -5.032 4.330 -1.843 1.00 0.00 C +ATOM 19 C LEU A 2 -4.313 3.290 -0.955 1.00 0.00 C +ATOM 20 O LEU A 2 -3.853 2.259 -1.446 1.00 0.00 O +ATOM 21 CB LEU A 2 -4.138 4.841 -3.003 1.00 0.00 C +ATOM 22 CG LEU A 2 -4.722 4.651 -4.418 1.00 0.00 C +ATOM 23 CD1 LEU A 2 -4.894 3.173 -4.766 1.00 0.00 C +ATOM 24 CD2 LEU A 2 -6.050 5.386 -4.636 1.00 0.00 C +ATOM 25 H LEU A 2 -5.044 6.368 -1.237 1.00 0.00 H +ATOM 26 HA LEU A 2 -5.880 3.796 -2.268 1.00 0.00 H +ATOM 27 HB2 LEU A 2 -3.967 5.890 -2.853 1.00 0.00 H +ATOM 28 HB3 LEU A 2 -3.179 4.327 -2.975 1.00 0.00 H +ATOM 29 HG LEU A 2 -4.002 5.061 -5.126 1.00 0.00 H +ATOM 30 HD11 LEU A 2 -3.966 2.642 -4.555 1.00 0.00 H +ATOM 31 HD12 LEU A 2 -5.713 2.736 -4.196 1.00 0.00 H +ATOM 32 HD13 LEU A 2 -5.117 3.069 -5.827 1.00 0.00 H +ATOM 33 HD21 LEU A 2 -6.733 5.221 -3.804 1.00 0.00 H +ATOM 34 HD22 LEU A 2 -5.855 6.450 -4.745 1.00 0.00 H +ATOM 35 HD23 LEU A 2 -6.526 5.028 -5.550 1.00 0.00 H +ATOM 36 N TYR A 3 -4.243 3.530 0.360 1.00 0.00 N +ATOM 37 CA TYR A 3 -3.536 2.698 1.337 1.00 0.00 C +ATOM 38 C TYR A 3 -3.999 1.230 1.340 1.00 0.00 C +ATOM 39 O TYR A 3 -3.180 0.335 1.524 1.00 0.00 O +ATOM 40 CB TYR A 3 -3.688 3.329 2.730 1.00 0.00 C +ATOM 41 CG TYR A 3 -2.527 3.057 3.667 1.00 0.00 C +ATOM 42 CD1 TYR A 3 -2.504 1.888 4.455 1.00 0.00 C +ATOM 43 CD2 TYR A 3 -1.478 3.993 3.769 1.00 0.00 C +ATOM 44 CE1 TYR A 3 -1.449 1.665 5.360 1.00 0.00 C +ATOM 45 CE2 TYR A 3 -0.422 3.773 4.671 1.00 0.00 C +ATOM 46 CZ TYR A 3 -0.410 2.617 5.478 1.00 0.00 C +ATOM 47 OH TYR A 3 0.592 2.435 6.380 1.00 0.00 O +ATOM 48 H TYR A 3 -4.647 4.393 0.678 1.00 0.00 H +ATOM 49 HA TYR A 3 -2.476 2.708 1.078 1.00 0.00 H +ATOM 50 HB2 TYR A 3 -3.781 4.391 2.610 1.00 0.00 H +ATOM 51 HB3 TYR A 3 -4.613 2.981 3.190 1.00 0.00 H +ATOM 52 HD1 TYR A 3 -3.302 1.165 4.368 1.00 0.00 H +ATOM 53 HD2 TYR A 3 -1.485 4.893 3.169 1.00 0.00 H +ATOM 54 HE1 TYR A 3 -1.435 0.773 5.967 1.00 0.00 H +ATOM 55 HE2 TYR A 3 0.377 4.493 4.774 1.00 0.00 H +ATOM 56 HH TYR A 3 0.371 1.780 7.044 1.00 0.00 H +ATOM 57 N ILE A 4 -5.291 0.971 1.083 1.00 0.00 N +ATOM 58 CA ILE A 4 -5.855 -0.385 0.970 1.00 0.00 C +ATOM 59 C ILE A 4 -5.185 -1.167 -0.172 1.00 0.00 C +ATOM 60 O ILE A 4 -4.825 -2.331 0.000 1.00 0.00 O +ATOM 61 CB ILE A 4 -7.390 -0.331 0.775 1.00 0.00 C +ATOM 62 CG1 ILE A 4 -8.107 0.494 1.877 1.00 0.00 C +ATOM 63 CG2 ILE A 4 -7.991 -1.748 0.746 1.00 0.00 C +ATOM 64 CD1 ILE A 4 -8.694 1.795 1.319 1.00 0.00 C +ATOM 65 H ILE A 4 -5.903 1.762 0.942 1.00 0.00 H +ATOM 66 HA ILE A 4 -5.647 -0.919 1.898 1.00 0.00 H +ATOM 67 HB ILE A 4 -7.594 0.123 -0.197 1.00 0.00 H +ATOM 68 HG12 ILE A 4 -8.901 -0.096 2.292 1.00 0.00 H +ATOM 69 HG13 ILE A 4 -7.417 0.733 2.687 1.00 0.00 H +ATOM 70 HG21 ILE A 4 -7.583 -2.322 -0.085 1.00 0.00 H +ATOM 71 HG22 ILE A 4 -7.771 -2.267 1.681 1.00 0.00 H +ATOM 72 HG23 ILE A 4 -9.072 -1.688 0.616 1.00 0.00 H +ATOM 73 HD11 ILE A 4 -7.897 2.395 0.886 1.00 0.00 H +ATOM 74 HD12 ILE A 4 -9.436 1.569 0.553 1.00 0.00 H +ATOM 75 HD13 ILE A 4 -9.171 2.357 2.121 1.00 0.00 H +ATOM 76 N GLN A 5 -4.990 -0.524 -1.331 1.00 0.00 N +ATOM 77 CA GLN A 5 -4.287 -1.099 -2.478 1.00 0.00 C +ATOM 78 C GLN A 5 -2.828 -1.408 -2.125 1.00 0.00 C +ATOM 79 O GLN A 5 -2.375 -2.526 -2.353 1.00 0.00 O +ATOM 80 CB GLN A 5 -4.383 -0.141 -3.683 1.00 0.00 C +ATOM 81 CG GLN A 5 -5.134 -0.729 -4.885 1.00 0.00 C +ATOM 82 CD GLN A 5 -6.640 -0.793 -4.645 1.00 0.00 C +ATOM 83 OE1 GLN A 5 -7.380 0.135 -4.919 1.00 0.00 O +ATOM 84 NE2 GLN A 5 -7.150 -1.887 -4.116 1.00 0.00 N +ATOM 85 H GLN A 5 -5.215 0.461 -1.367 1.00 0.00 H +ATOM 86 HA GLN A 5 -4.756 -2.048 -2.731 1.00 0.00 H +ATOM 87 HB2 GLN A 5 -4.893 0.749 -3.368 1.00 0.00 H +ATOM 88 HB3 GLN A 5 -3.380 0.134 -4.013 1.00 0.00 H +ATOM 89 HG2 GLN A 5 -4.946 -0.115 -5.745 1.00 0.00 H +ATOM 90 HG3 GLN A 5 -4.744 -1.721 -5.116 1.00 0.00 H +ATOM 91 HE21 GLN A 5 -6.566 -2.656 -3.852 1.00 0.00 H +ATOM 92 HE22 GLN A 5 -8.148 -1.839 -3.996 1.00 0.00 H +ATOM 93 N TRP A 6 -2.121 -0.454 -1.511 1.00 0.00 N +ATOM 94 CA TRP A 6 -0.744 -0.663 -1.057 1.00 0.00 C +ATOM 95 C TRP A 6 -0.613 -1.790 -0.020 1.00 0.00 C +ATOM 96 O TRP A 6 0.331 -2.579 -0.067 1.00 0.00 O +ATOM 97 CB TRP A 6 -0.201 0.655 -0.509 1.00 0.00 C +ATOM 98 CG TRP A 6 1.191 0.564 0.027 1.00 0.00 C +ATOM 99 CD1 TRP A 6 2.317 0.549 -0.722 1.00 0.00 C +ATOM 100 CD2 TRP A 6 1.627 0.427 1.415 1.00 0.00 C +ATOM 101 NE1 TRP A 6 3.412 0.401 0.105 1.00 0.00 N +ATOM 102 CE2 TRP A 6 3.049 0.343 1.428 1.00 0.00 C +ATOM 103 CE3 TRP A 6 0.972 0.368 2.666 1.00 0.00 C +ATOM 104 CZ2 TRP A 6 3.794 0.234 2.609 1.00 0.00 C +ATOM 105 CZ3 TRP A 6 1.709 0.249 3.860 1.00 0.00 C +ATOM 106 CH2 TRP A 6 3.114 0.197 3.837 1.00 0.00 C +ATOM 107 H TRP A 6 -2.569 0.443 -1.359 1.00 0.00 H +ATOM 108 HA TRP A 6 -0.136 -0.952 -1.917 1.00 0.00 H +ATOM 109 HB2 TRP A 6 -0.211 1.379 -1.301 1.00 0.00 H +ATOM 110 HB3 TRP A 6 -0.855 1.013 0.287 1.00 0.00 H +ATOM 111 HD1 TRP A 6 2.345 0.630 -1.800 1.00 0.00 H +ATOM 112 HE1 TRP A 6 4.387 0.366 -0.203 1.00 0.00 H +ATOM 113 HE3 TRP A 6 -0.106 0.426 2.698 1.00 0.00 H +ATOM 114 HZ2 TRP A 6 4.873 0.181 2.560 1.00 0.00 H +ATOM 115 HZ3 TRP A 6 1.192 0.211 4.808 1.00 0.00 H +ATOM 116 HH2 TRP A 6 3.670 0.129 4.761 1.00 0.00 H +ATOM 117 N LEU A 7 -1.578 -1.920 0.901 1.00 0.00 N +ATOM 118 CA LEU A 7 -1.631 -3.070 1.801 1.00 0.00 C +ATOM 119 C LEU A 7 -1.843 -4.394 1.050 1.00 0.00 C +ATOM 120 O LEU A 7 -1.191 -5.372 1.418 1.00 0.00 O +ATOM 121 CB LEU A 7 -2.686 -2.859 2.899 1.00 0.00 C +ATOM 122 CG LEU A 7 -2.268 -1.863 4.000 1.00 0.00 C +ATOM 123 CD1 LEU A 7 -3.426 -1.718 4.994 1.00 0.00 C +ATOM 124 CD2 LEU A 7 -1.023 -2.315 4.775 1.00 0.00 C +ATOM 125 H LEU A 7 -2.292 -1.197 0.964 1.00 0.00 H +ATOM 126 HA LEU A 7 -0.656 -3.165 2.275 1.00 0.00 H +ATOM 127 HB2 LEU A 7 -3.583 -2.492 2.437 1.00 0.00 H +ATOM 128 HB3 LEU A 7 -2.886 -3.821 3.373 1.00 0.00 H +ATOM 129 HG LEU A 7 -2.065 -0.889 3.560 1.00 0.00 H +ATOM 130 HD11 LEU A 7 -4.316 -1.368 4.472 1.00 0.00 H +ATOM 131 HD12 LEU A 7 -3.638 -2.679 5.461 1.00 0.00 H +ATOM 132 HD13 LEU A 7 -3.167 -0.998 5.769 1.00 0.00 H +ATOM 133 HD21 LEU A 7 -1.138 -3.351 5.097 1.00 0.00 H +ATOM 134 HD22 LEU A 7 -0.138 -2.227 4.147 1.00 0.00 H +ATOM 135 HD23 LEU A 7 -0.876 -1.684 5.651 1.00 0.00 H +ATOM 136 N LYS A 8 -2.657 -4.444 -0.024 1.00 0.00 N +ATOM 137 CA LYS A 8 -2.775 -5.659 -0.860 1.00 0.00 C +ATOM 138 C LYS A 8 -1.440 -6.118 -1.450 1.00 0.00 C +ATOM 139 O LYS A 8 -1.240 -7.322 -1.591 1.00 0.00 O +ATOM 140 CB LYS A 8 -3.774 -5.527 -2.021 1.00 0.00 C +ATOM 141 CG LYS A 8 -5.249 -5.395 -1.620 1.00 0.00 C +ATOM 142 CD LYS A 8 -6.167 -6.088 -2.648 1.00 0.00 C +ATOM 143 CE LYS A 8 -7.424 -5.268 -2.953 1.00 0.00 C +ATOM 144 NZ LYS A 8 -8.590 -6.134 -3.235 1.00 0.00 N +ATOM 145 H LYS A 8 -3.174 -3.604 -0.275 1.00 0.00 H +ATOM 146 HA LYS A 8 -3.108 -6.475 -0.218 1.00 0.00 H +ATOM 147 HB2 LYS A 8 -3.507 -4.656 -2.587 1.00 0.00 H +ATOM 148 HB3 LYS A 8 -3.662 -6.434 -2.619 1.00 0.00 H +ATOM 149 HG2 LYS A 8 -5.393 -5.849 -0.659 1.00 0.00 H +ATOM 150 HG3 LYS A 8 -5.497 -4.337 -1.541 1.00 0.00 H +ATOM 151 HD2 LYS A 8 -5.619 -6.230 -3.559 1.00 0.00 H +ATOM 152 HD3 LYS A 8 -6.435 -7.067 -2.249 1.00 0.00 H +ATOM 153 HE2 LYS A 8 -7.648 -4.648 -2.106 1.00 0.00 H +ATOM 154 HE3 LYS A 8 -7.213 -4.642 -3.824 1.00 0.00 H +ATOM 155 HZ1 LYS A 8 -8.371 -6.792 -3.971 1.00 0.00 H +ATOM 156 HZ2 LYS A 8 -8.842 -6.653 -2.403 1.00 0.00 H +ATOM 157 HZ3 LYS A 8 -9.385 -5.577 -3.521 1.00 0.00 H +ATOM 158 N ASP A 9 -0.520 -5.196 -1.760 1.00 0.00 N +ATOM 159 CA ASP A 9 0.824 -5.550 -2.228 1.00 0.00 C +ATOM 160 C ASP A 9 1.682 -6.246 -1.149 1.00 0.00 C +ATOM 161 O ASP A 9 2.738 -6.791 -1.479 1.00 0.00 O +ATOM 162 CB ASP A 9 1.569 -4.302 -2.729 1.00 0.00 C +ATOM 163 CG ASP A 9 0.926 -3.620 -3.934 1.00 0.00 C +ATOM 164 OD1 ASP A 9 0.770 -4.314 -4.963 1.00 0.00 O +ATOM 165 OD2 ASP A 9 0.694 -2.393 -3.841 1.00 0.00 O +ATOM 166 H ASP A 9 -0.774 -4.217 -1.668 1.00 0.00 H +ATOM 167 HA ASP A 9 0.732 -6.246 -3.065 1.00 0.00 H +ATOM 168 HB2 ASP A 9 1.611 -3.592 -1.925 1.00 0.00 H +ATOM 169 HB3 ASP A 9 2.563 -4.606 -3.037 1.00 0.00 H +ATOM 170 N GLY A 10 1.266 -6.215 0.128 1.00 0.00 N +ATOM 171 CA GLY A 10 2.015 -6.734 1.274 1.00 0.00 C +ATOM 172 C GLY A 10 2.595 -5.646 2.186 1.00 0.00 C +ATOM 173 O GLY A 10 3.441 -5.959 3.033 1.00 0.00 O +ATOM 174 H GLY A 10 0.348 -5.819 0.317 1.00 0.00 H +ATOM 175 HA2 GLY A 10 1.343 -7.348 1.874 1.00 0.00 H +ATOM 176 HA3 GLY A 10 2.832 -7.371 0.933 1.00 0.00 H +ATOM 177 N GLY A 11 2.188 -4.378 2.015 1.00 0.00 N +ATOM 178 CA GLY A 11 2.682 -3.258 2.815 1.00 0.00 C +ATOM 179 C GLY A 11 4.216 -3.151 2.773 1.00 0.00 C +ATOM 180 O GLY A 11 4.797 -3.293 1.691 1.00 0.00 O +ATOM 181 H GLY A 11 1.532 -4.174 1.270 1.00 0.00 H +ATOM 182 HA2 GLY A 11 2.262 -2.332 2.425 1.00 0.00 H +ATOM 183 HA3 GLY A 11 2.330 -3.391 3.837 1.00 0.00 H +ATOM 184 N PRO A 12 4.904 -2.935 3.918 1.00 0.00 N +ATOM 185 CA PRO A 12 6.365 -2.823 3.965 1.00 0.00 C +ATOM 186 C PRO A 12 7.102 -4.015 3.335 1.00 0.00 C +ATOM 187 O PRO A 12 8.165 -3.833 2.746 1.00 0.00 O +ATOM 188 CB PRO A 12 6.736 -2.681 5.447 1.00 0.00 C +ATOM 189 CG PRO A 12 5.452 -2.189 6.112 1.00 0.00 C +ATOM 190 CD PRO A 12 4.353 -2.826 5.263 1.00 0.00 C +ATOM 191 HA PRO A 12 6.658 -1.915 3.438 1.00 0.00 H +ATOM 192 HB2 PRO A 12 7.038 -3.626 5.856 1.00 0.00 H +ATOM 193 HB3 PRO A 12 7.554 -1.973 5.589 1.00 0.00 H +ATOM 194 HG2 PRO A 12 5.394 -2.523 7.130 1.00 0.00 H +ATOM 195 HG3 PRO A 12 5.394 -1.103 6.036 1.00 0.00 H +ATOM 196 HD2 PRO A 12 4.102 -3.797 5.644 1.00 0.00 H +ATOM 197 HD3 PRO A 12 3.456 -2.209 5.293 1.00 0.00 H +ATOM 198 N SER A 13 6.528 -5.228 3.414 1.00 0.00 N +ATOM 199 CA SER A 13 7.138 -6.446 2.859 1.00 0.00 C +ATOM 200 C SER A 13 7.295 -6.407 1.333 1.00 0.00 C +ATOM 201 O SER A 13 8.174 -7.073 0.792 1.00 0.00 O +ATOM 202 CB SER A 13 6.348 -7.692 3.277 1.00 0.00 C +ATOM 203 OG SER A 13 5.118 -7.809 2.592 1.00 0.00 O +ATOM 204 H SER A 13 5.614 -5.292 3.842 1.00 0.00 H +ATOM 205 HA SER A 13 8.138 -6.537 3.280 1.00 0.00 H +ATOM 206 HB2 SER A 13 6.942 -8.561 3.069 1.00 0.00 H +ATOM 207 HB3 SER A 13 6.165 -7.667 4.352 1.00 0.00 H +ATOM 208 HG SER A 13 4.500 -7.079 2.847 1.00 0.00 H +ATOM 209 N SER A 14 6.489 -5.586 0.645 1.00 0.00 N +ATOM 210 CA SER A 14 6.548 -5.376 -0.801 1.00 0.00 C +ATOM 211 C SER A 14 7.615 -4.354 -1.227 1.00 0.00 C +ATOM 212 O SER A 14 7.779 -4.098 -2.420 1.00 0.00 O +ATOM 213 CB SER A 14 5.172 -4.906 -1.282 1.00 0.00 C +ATOM 214 OG SER A 14 4.768 -5.648 -2.411 1.00 0.00 O +ATOM 215 H SER A 14 5.813 -5.042 1.173 1.00 0.00 H +ATOM 216 HA SER A 14 6.781 -6.328 -1.284 1.00 0.00 H +ATOM 217 HB2 SER A 14 4.456 -5.042 -0.494 1.00 0.00 H +ATOM 218 HB3 SER A 14 5.202 -3.849 -1.527 1.00 0.00 H +ATOM 219 HG SER A 14 4.004 -6.211 -2.103 1.00 0.00 H +ATOM 220 N GLY A 15 8.309 -3.713 -0.277 1.00 0.00 N +ATOM 221 CA GLY A 15 9.390 -2.752 -0.512 1.00 0.00 C +ATOM 222 C GLY A 15 8.950 -1.376 -1.041 1.00 0.00 C +ATOM 223 O GLY A 15 9.569 -0.373 -0.689 1.00 0.00 O +ATOM 224 H GLY A 15 8.111 -3.947 0.692 1.00 0.00 H +ATOM 225 HA2 GLY A 15 9.920 -2.595 0.428 1.00 0.00 H +ATOM 226 HA3 GLY A 15 10.093 -3.179 -1.226 1.00 0.00 H +ATOM 227 N ARG A 16 7.896 -1.304 -1.867 1.00 0.00 N +ATOM 228 CA ARG A 16 7.317 -0.041 -2.355 1.00 0.00 C +ATOM 229 C ARG A 16 6.801 0.839 -1.194 1.00 0.00 C +ATOM 230 O ARG A 16 6.157 0.315 -0.283 1.00 0.00 O +ATOM 231 CB ARG A 16 6.215 -0.292 -3.405 1.00 0.00 C +ATOM 232 CG ARG A 16 5.119 -1.280 -2.965 1.00 0.00 C +ATOM 233 CD ARG A 16 3.913 -1.309 -3.915 1.00 0.00 C +ATOM 234 NE ARG A 16 4.266 -1.765 -5.273 1.00 0.00 N +ATOM 235 CZ ARG A 16 4.470 -3.012 -5.684 1.00 0.00 C +ATOM 236 NH1 ARG A 16 4.434 -4.046 -4.877 1.00 0.00 N +ATOM 237 NH2 ARG A 16 4.742 -3.246 -6.946 1.00 0.00 N +ATOM 238 H ARG A 16 7.511 -2.196 -2.163 1.00 0.00 H +ATOM 239 HA ARG A 16 8.125 0.496 -2.848 1.00 0.00 H +ATOM 240 HB2 ARG A 16 5.747 0.647 -3.630 1.00 0.00 H +ATOM 241 HB3 ARG A 16 6.683 -0.678 -4.311 1.00 0.00 H +ATOM 242 HG2 ARG A 16 5.544 -2.264 -2.923 1.00 0.00 H +ATOM 243 HG3 ARG A 16 4.753 -1.013 -1.976 1.00 0.00 H +ATOM 244 HD2 ARG A 16 3.174 -1.974 -3.511 1.00 0.00 H +ATOM 245 HD3 ARG A 16 3.485 -0.307 -3.974 1.00 0.00 H +ATOM 246 HE ARG A 16 4.286 -1.055 -5.983 1.00 0.00 H +ATOM 247 HH11 ARG A 16 4.241 -3.927 -3.896 1.00 0.00 H +ATOM 248 HH12 ARG A 16 4.571 -4.985 -5.203 1.00 0.00 H +ATOM 249 HH21 ARG A 16 4.784 -2.494 -7.608 1.00 0.00 H +ATOM 250 HH22 ARG A 16 4.878 -4.192 -7.246 1.00 0.00 H +ATOM 251 N PRO A 17 7.021 2.169 -1.222 1.00 0.00 N +ATOM 252 CA PRO A 17 6.564 3.076 -0.168 1.00 0.00 C +ATOM 253 C PRO A 17 5.035 3.273 -0.193 1.00 0.00 C +ATOM 254 O PRO A 17 4.408 3.044 -1.232 1.00 0.00 O +ATOM 255 CB PRO A 17 7.304 4.392 -0.436 1.00 0.00 C +ATOM 256 CG PRO A 17 7.488 4.390 -1.951 1.00 0.00 C +ATOM 257 CD PRO A 17 7.717 2.912 -2.265 1.00 0.00 C +ATOM 258 HA PRO A 17 6.863 2.681 0.803 1.00 0.00 H +ATOM 259 HB2 PRO A 17 6.718 5.234 -0.121 1.00 0.00 H +ATOM 260 HB3 PRO A 17 8.279 4.364 0.050 1.00 0.00 H +ATOM 261 HG2 PRO A 17 6.611 4.759 -2.447 1.00 0.00 H +ATOM 262 HG3 PRO A 17 8.336 5.002 -2.259 1.00 0.00 H +ATOM 263 HD2 PRO A 17 7.314 2.668 -3.229 1.00 0.00 H +ATOM 264 HD3 PRO A 17 8.783 2.685 -2.219 1.00 0.00 H +ATOM 265 N PRO A 18 4.420 3.714 0.924 1.00 0.00 N +ATOM 266 CA PRO A 18 2.979 3.943 0.997 1.00 0.00 C +ATOM 267 C PRO A 18 2.541 5.167 0.167 1.00 0.00 C +ATOM 268 O PRO A 18 3.300 6.129 0.038 1.00 0.00 O +ATOM 269 CB PRO A 18 2.670 4.129 2.486 1.00 0.00 C +ATOM 270 CG PRO A 18 3.976 4.683 3.053 1.00 0.00 C +ATOM 271 CD PRO A 18 5.042 3.977 2.213 1.00 0.00 C +ATOM 272 HA PRO A 18 2.469 3.052 0.638 1.00 0.00 H +ATOM 273 HB2 PRO A 18 1.865 4.824 2.627 1.00 0.00 H +ATOM 274 HB3 PRO A 18 2.459 3.159 2.939 1.00 0.00 H +ATOM 275 HG2 PRO A 18 4.030 5.747 2.929 1.00 0.00 H +ATOM 276 HG3 PRO A 18 4.085 4.459 4.114 1.00 0.00 H +ATOM 277 HD2 PRO A 18 5.901 4.608 2.092 1.00 0.00 H +ATOM 278 HD3 PRO A 18 5.310 3.030 2.683 1.00 0.00 H +ATOM 279 N PRO A 19 1.305 5.165 -0.369 1.00 0.00 N +ATOM 280 CA PRO A 19 0.753 6.266 -1.151 1.00 0.00 C +ATOM 281 C PRO A 19 0.318 7.409 -0.226 1.00 0.00 C +ATOM 282 O PRO A 19 -0.451 7.189 0.714 1.00 0.00 O +ATOM 283 CB PRO A 19 -0.432 5.656 -1.908 1.00 0.00 C +ATOM 284 CG PRO A 19 -0.932 4.559 -0.967 1.00 0.00 C +ATOM 285 CD PRO A 19 0.347 4.074 -0.285 1.00 0.00 C +ATOM 286 HA PRO A 19 1.493 6.630 -1.865 1.00 0.00 H +ATOM 287 HB2 PRO A 19 -1.195 6.390 -2.081 1.00 0.00 H +ATOM 288 HB3 PRO A 19 -0.073 5.200 -2.833 1.00 0.00 H +ATOM 289 HG2 PRO A 19 -1.625 4.954 -0.249 1.00 0.00 H +ATOM 290 HG3 PRO A 19 -1.416 3.748 -1.510 1.00 0.00 H +ATOM 291 HD2 PRO A 19 0.150 3.833 0.742 1.00 0.00 H +ATOM 292 HD3 PRO A 19 0.754 3.228 -0.832 1.00 0.00 H +ATOM 293 N SER A 20 0.793 8.629 -0.503 1.00 0.00 N +ATOM 294 CA SER A 20 0.416 9.847 0.221 1.00 0.00 C +ATOM 295 C SER A 20 0.407 11.090 -0.662 1.00 0.00 C +ATOM 296 O SER A 20 0.891 11.013 -1.811 1.00 0.00 O +ATOM 297 CB SER A 20 1.359 10.094 1.397 1.00 0.00 C +ATOM 298 OG SER A 20 0.787 11.196 2.067 1.00 0.00 O +ATOM 299 OXT SER A 20 -0.035 12.112 -0.078 1.00 0.00 O +ATOM 300 H SER A 20 1.371 8.782 -1.320 1.00 0.00 H +ATOM 301 HA SER A 20 -0.594 9.730 0.608 1.00 0.00 H +ATOM 302 HB2 SER A 20 1.400 9.236 2.040 1.00 0.00 H +ATOM 303 HB3 SER A 20 2.353 10.357 1.025 1.00 0.00 H +ATOM 304 HG SER A 20 0.387 11.733 1.311 1.00 0.00 H +TER 305 SER A 20 +ENDMDL +MODEL 25 +ATOM 1 N ASN A 1 -8.822 3.713 -1.688 1.00 0.00 N +ATOM 2 CA ASN A 1 -7.636 4.584 -1.839 1.00 0.00 C +ATOM 3 C ASN A 1 -6.387 3.720 -2.050 1.00 0.00 C +ATOM 4 O ASN A 1 -6.449 2.520 -1.793 1.00 0.00 O +ATOM 5 CB ASN A 1 -7.493 5.546 -0.643 1.00 0.00 C +ATOM 6 CG ASN A 1 -6.684 6.775 -1.045 1.00 0.00 C +ATOM 7 OD1 ASN A 1 -5.471 6.716 -1.147 1.00 0.00 O +ATOM 8 ND2 ASN A 1 -7.325 7.882 -1.371 1.00 0.00 N +ATOM 9 H1 ASN A 1 -8.903 3.106 -2.494 1.00 0.00 H +ATOM 10 H2 ASN A 1 -8.709 3.131 -0.870 1.00 0.00 H +ATOM 11 H3 ASN A 1 -9.662 4.268 -1.598 1.00 0.00 H +ATOM 12 HA ASN A 1 -7.770 5.186 -2.739 1.00 0.00 H +ATOM 13 HB2 ASN A 1 -8.468 5.855 -0.319 1.00 0.00 H +ATOM 14 HB3 ASN A 1 -6.990 5.041 0.185 1.00 0.00 H +ATOM 15 HD21 ASN A 1 -8.323 8.004 -1.308 1.00 0.00 H +ATOM 16 HD22 ASN A 1 -6.719 8.647 -1.627 1.00 0.00 H +ATOM 17 N LEU A 2 -5.276 4.311 -2.504 1.00 0.00 N +ATOM 18 CA LEU A 2 -4.020 3.626 -2.831 1.00 0.00 C +ATOM 19 C LEU A 2 -3.471 2.838 -1.629 1.00 0.00 C +ATOM 20 O LEU A 2 -2.958 1.734 -1.800 1.00 0.00 O +ATOM 21 CB LEU A 2 -3.012 4.674 -3.361 1.00 0.00 C +ATOM 22 CG LEU A 2 -2.196 4.219 -4.592 1.00 0.00 C +ATOM 23 CD1 LEU A 2 -1.533 5.435 -5.247 1.00 0.00 C +ATOM 24 CD2 LEU A 2 -1.091 3.204 -4.289 1.00 0.00 C +ATOM 25 H LEU A 2 -5.249 5.328 -2.518 1.00 0.00 H +ATOM 26 HA LEU A 2 -4.228 2.905 -3.623 1.00 0.00 H +ATOM 27 HB2 LEU A 2 -3.558 5.557 -3.630 1.00 0.00 H +ATOM 28 HB3 LEU A 2 -2.343 4.981 -2.561 1.00 0.00 H +ATOM 29 HG LEU A 2 -2.881 3.777 -5.315 1.00 0.00 H +ATOM 30 HD11 LEU A 2 -2.296 6.145 -5.570 1.00 0.00 H +ATOM 31 HD12 LEU A 2 -0.864 5.929 -4.541 1.00 0.00 H +ATOM 32 HD13 LEU A 2 -0.962 5.119 -6.121 1.00 0.00 H +ATOM 33 HD21 LEU A 2 -0.285 3.677 -3.730 1.00 0.00 H +ATOM 34 HD22 LEU A 2 -1.483 2.363 -3.723 1.00 0.00 H +ATOM 35 HD23 LEU A 2 -0.681 2.826 -5.224 1.00 0.00 H +ATOM 36 N TYR A 3 -3.666 3.358 -0.409 1.00 0.00 N +ATOM 37 CA TYR A 3 -3.284 2.708 0.847 1.00 0.00 C +ATOM 38 C TYR A 3 -3.873 1.292 1.002 1.00 0.00 C +ATOM 39 O TYR A 3 -3.194 0.398 1.503 1.00 0.00 O +ATOM 40 CB TYR A 3 -3.690 3.607 2.030 1.00 0.00 C +ATOM 41 CG TYR A 3 -2.649 3.669 3.132 1.00 0.00 C +ATOM 42 CD1 TYR A 3 -2.390 2.535 3.927 1.00 0.00 C +ATOM 43 CD2 TYR A 3 -1.934 4.863 3.357 1.00 0.00 C +ATOM 44 CE1 TYR A 3 -1.425 2.597 4.950 1.00 0.00 C +ATOM 45 CE2 TYR A 3 -0.980 4.936 4.389 1.00 0.00 C +ATOM 46 CZ TYR A 3 -0.731 3.802 5.194 1.00 0.00 C +ATOM 47 OH TYR A 3 0.150 3.872 6.227 1.00 0.00 O +ATOM 48 H TYR A 3 -4.047 4.292 -0.362 1.00 0.00 H +ATOM 49 HA TYR A 3 -2.198 2.613 0.856 1.00 0.00 H +ATOM 50 HB2 TYR A 3 -3.852 4.601 1.660 1.00 0.00 H +ATOM 51 HB3 TYR A 3 -4.632 3.256 2.454 1.00 0.00 H +ATOM 52 HD1 TYR A 3 -2.935 1.619 3.761 1.00 0.00 H +ATOM 53 HD2 TYR A 3 -2.110 5.742 2.747 1.00 0.00 H +ATOM 54 HE1 TYR A 3 -1.221 1.739 5.572 1.00 0.00 H +ATOM 55 HE2 TYR A 3 -0.449 5.867 4.548 1.00 0.00 H +ATOM 56 HH TYR A 3 0.326 4.786 6.461 1.00 0.00 H +ATOM 57 N ILE A 4 -5.115 1.071 0.535 1.00 0.00 N +ATOM 58 CA ILE A 4 -5.776 -0.242 0.562 1.00 0.00 C +ATOM 59 C ILE A 4 -5.002 -1.217 -0.330 1.00 0.00 C +ATOM 60 O ILE A 4 -4.614 -2.289 0.122 1.00 0.00 O +ATOM 61 CB ILE A 4 -7.263 -0.143 0.130 1.00 0.00 C +ATOM 62 CG1 ILE A 4 -8.048 0.841 1.030 1.00 0.00 C +ATOM 63 CG2 ILE A 4 -7.919 -1.539 0.153 1.00 0.00 C +ATOM 64 CD1 ILE A 4 -9.483 1.110 0.557 1.00 0.00 C +ATOM 65 H ILE A 4 -5.572 1.829 0.046 1.00 0.00 H +ATOM 66 HA ILE A 4 -5.741 -0.629 1.581 1.00 0.00 H +ATOM 67 HB ILE A 4 -7.305 0.225 -0.896 1.00 0.00 H +ATOM 68 HG12 ILE A 4 -8.090 0.432 2.021 1.00 0.00 H +ATOM 69 HG13 ILE A 4 -7.535 1.802 1.049 1.00 0.00 H +ATOM 70 HG21 ILE A 4 -7.419 -2.213 -0.543 1.00 0.00 H +ATOM 71 HG22 ILE A 4 -7.865 -1.964 1.157 1.00 0.00 H +ATOM 72 HG23 ILE A 4 -8.963 -1.481 -0.153 1.00 0.00 H +ATOM 73 HD11 ILE A 4 -9.492 1.320 -0.512 1.00 0.00 H +ATOM 74 HD12 ILE A 4 -10.118 0.247 0.759 1.00 0.00 H +ATOM 75 HD13 ILE A 4 -9.887 1.968 1.096 1.00 0.00 H +ATOM 76 N GLN A 5 -4.757 -0.824 -1.585 1.00 0.00 N +ATOM 77 CA GLN A 5 -4.017 -1.607 -2.576 1.00 0.00 C +ATOM 78 C GLN A 5 -2.587 -1.900 -2.083 1.00 0.00 C +ATOM 79 O GLN A 5 -2.148 -3.047 -2.102 1.00 0.00 O +ATOM 80 CB GLN A 5 -4.057 -0.847 -3.919 1.00 0.00 C +ATOM 81 CG GLN A 5 -4.071 -1.760 -5.155 1.00 0.00 C +ATOM 82 CD GLN A 5 -2.773 -2.524 -5.382 1.00 0.00 C +ATOM 83 OE1 GLN A 5 -2.723 -3.734 -5.250 1.00 0.00 O +ATOM 84 NE2 GLN A 5 -1.697 -1.854 -5.752 1.00 0.00 N +ATOM 85 H GLN A 5 -5.059 0.104 -1.844 1.00 0.00 H +ATOM 86 HA GLN A 5 -4.528 -2.564 -2.697 1.00 0.00 H +ATOM 87 HB2 GLN A 5 -4.942 -0.241 -3.937 1.00 0.00 H +ATOM 88 HB3 GLN A 5 -3.227 -0.144 -3.981 1.00 0.00 H +ATOM 89 HG2 GLN A 5 -4.865 -2.472 -5.038 1.00 0.00 H +ATOM 90 HG3 GLN A 5 -4.268 -1.149 -6.038 1.00 0.00 H +ATOM 91 HE21 GLN A 5 -1.694 -0.862 -5.911 1.00 0.00 H +ATOM 92 HE22 GLN A 5 -0.889 -2.443 -5.884 1.00 0.00 H +ATOM 93 N TRP A 6 -1.898 -0.878 -1.557 1.00 0.00 N +ATOM 94 CA TRP A 6 -0.578 -0.992 -0.936 1.00 0.00 C +ATOM 95 C TRP A 6 -0.552 -2.023 0.205 1.00 0.00 C +ATOM 96 O TRP A 6 0.292 -2.918 0.198 1.00 0.00 O +ATOM 97 CB TRP A 6 -0.127 0.397 -0.466 1.00 0.00 C +ATOM 98 CG TRP A 6 1.249 0.448 0.122 1.00 0.00 C +ATOM 99 CD1 TRP A 6 2.402 0.437 -0.587 1.00 0.00 C +ATOM 100 CD2 TRP A 6 1.644 0.501 1.528 1.00 0.00 C +ATOM 101 NE1 TRP A 6 3.474 0.460 0.282 1.00 0.00 N +ATOM 102 CE2 TRP A 6 3.068 0.490 1.594 1.00 0.00 C +ATOM 103 CE3 TRP A 6 0.952 0.549 2.757 1.00 0.00 C +ATOM 104 CZ2 TRP A 6 3.775 0.513 2.805 1.00 0.00 C +ATOM 105 CZ3 TRP A 6 1.647 0.567 3.982 1.00 0.00 C +ATOM 106 CH2 TRP A 6 3.054 0.548 4.010 1.00 0.00 C +ATOM 107 H TRP A 6 -2.335 0.042 -1.580 1.00 0.00 H +ATOM 108 HA TRP A 6 0.127 -1.341 -1.691 1.00 0.00 H +ATOM 109 HB2 TRP A 6 -0.154 1.059 -1.310 1.00 0.00 H +ATOM 110 HB3 TRP A 6 -0.830 0.770 0.277 1.00 0.00 H +ATOM 111 HD1 TRP A 6 2.467 0.400 -1.665 1.00 0.00 H +ATOM 112 HE1 TRP A 6 4.459 0.466 0.011 1.00 0.00 H +ATOM 113 HE3 TRP A 6 -0.127 0.579 2.747 1.00 0.00 H +ATOM 114 HZ2 TRP A 6 4.854 0.502 2.796 1.00 0.00 H +ATOM 115 HZ3 TRP A 6 1.097 0.607 4.913 1.00 0.00 H +ATOM 116 HH2 TRP A 6 3.578 0.569 4.955 1.00 0.00 H +ATOM 117 N LEU A 7 -1.488 -1.942 1.163 1.00 0.00 N +ATOM 118 CA LEU A 7 -1.617 -2.951 2.219 1.00 0.00 C +ATOM 119 C LEU A 7 -1.966 -4.341 1.668 1.00 0.00 C +ATOM 120 O LEU A 7 -1.376 -5.320 2.123 1.00 0.00 O +ATOM 121 CB LEU A 7 -2.642 -2.514 3.280 1.00 0.00 C +ATOM 122 CG LEU A 7 -2.149 -1.401 4.223 1.00 0.00 C +ATOM 123 CD1 LEU A 7 -3.284 -0.995 5.164 1.00 0.00 C +ATOM 124 CD2 LEU A 7 -0.953 -1.839 5.080 1.00 0.00 C +ATOM 125 H LEU A 7 -2.154 -1.170 1.141 1.00 0.00 H +ATOM 126 HA LEU A 7 -0.644 -3.065 2.695 1.00 0.00 H +ATOM 127 HB2 LEU A 7 -3.519 -2.160 2.773 1.00 0.00 H +ATOM 128 HB3 LEU A 7 -2.902 -3.381 3.888 1.00 0.00 H +ATOM 129 HG LEU A 7 -1.860 -0.531 3.640 1.00 0.00 H +ATOM 130 HD11 LEU A 7 -4.142 -0.659 4.582 1.00 0.00 H +ATOM 131 HD12 LEU A 7 -3.579 -1.842 5.783 1.00 0.00 H +ATOM 132 HD13 LEU A 7 -2.959 -0.178 5.809 1.00 0.00 H +ATOM 133 HD21 LEU A 7 -1.180 -2.772 5.594 1.00 0.00 H +ATOM 134 HD22 LEU A 7 -0.070 -1.975 4.456 1.00 0.00 H +ATOM 135 HD23 LEU A 7 -0.724 -1.071 5.819 1.00 0.00 H +ATOM 136 N LYS A 8 -2.866 -4.444 0.675 1.00 0.00 N +ATOM 137 CA LYS A 8 -3.232 -5.709 0.014 1.00 0.00 C +ATOM 138 C LYS A 8 -1.995 -6.419 -0.554 1.00 0.00 C +ATOM 139 O LYS A 8 -1.851 -7.626 -0.374 1.00 0.00 O +ATOM 140 CB LYS A 8 -4.313 -5.443 -1.057 1.00 0.00 C +ATOM 141 CG LYS A 8 -5.232 -6.637 -1.368 1.00 0.00 C +ATOM 142 CD LYS A 8 -4.597 -7.726 -2.241 1.00 0.00 C +ATOM 143 CE LYS A 8 -5.626 -8.816 -2.553 1.00 0.00 C +ATOM 144 NZ LYS A 8 -4.979 -9.985 -3.192 1.00 0.00 N +ATOM 145 H LYS A 8 -3.334 -3.588 0.376 1.00 0.00 H +ATOM 146 HA LYS A 8 -3.648 -6.368 0.776 1.00 0.00 H +ATOM 147 HB2 LYS A 8 -4.926 -4.632 -0.716 1.00 0.00 H +ATOM 148 HB3 LYS A 8 -3.853 -5.080 -1.976 1.00 0.00 H +ATOM 149 HG2 LYS A 8 -5.526 -7.084 -0.438 1.00 0.00 H +ATOM 150 HG3 LYS A 8 -6.106 -6.251 -1.896 1.00 0.00 H +ATOM 151 HD2 LYS A 8 -4.253 -7.289 -3.159 1.00 0.00 H +ATOM 152 HD3 LYS A 8 -3.770 -8.185 -1.708 1.00 0.00 H +ATOM 153 HE2 LYS A 8 -6.094 -9.129 -1.640 1.00 0.00 H +ATOM 154 HE3 LYS A 8 -6.396 -8.398 -3.207 1.00 0.00 H +ATOM 155 HZ1 LYS A 8 -4.519 -9.702 -4.048 1.00 0.00 H +ATOM 156 HZ2 LYS A 8 -4.281 -10.374 -2.570 1.00 0.00 H +ATOM 157 HZ3 LYS A 8 -5.664 -10.700 -3.404 1.00 0.00 H +ATOM 158 N ASP A 9 -1.077 -5.668 -1.169 1.00 0.00 N +ATOM 159 CA ASP A 9 0.212 -6.164 -1.668 1.00 0.00 C +ATOM 160 C ASP A 9 1.207 -6.590 -0.560 1.00 0.00 C +ATOM 161 O ASP A 9 2.261 -7.145 -0.857 1.00 0.00 O +ATOM 162 CB ASP A 9 0.834 -5.084 -2.569 1.00 0.00 C +ATOM 163 CG ASP A 9 1.509 -5.695 -3.797 1.00 0.00 C +ATOM 164 OD1 ASP A 9 0.788 -5.935 -4.790 1.00 0.00 O +ATOM 165 OD2 ASP A 9 2.746 -5.888 -3.742 1.00 0.00 O +ATOM 166 H ASP A 9 -1.310 -4.691 -1.337 1.00 0.00 H +ATOM 167 HA ASP A 9 0.016 -7.046 -2.280 1.00 0.00 H +ATOM 168 HB2 ASP A 9 0.061 -4.414 -2.894 1.00 0.00 H +ATOM 169 HB3 ASP A 9 1.556 -4.497 -1.999 1.00 0.00 H +ATOM 170 N GLY A 10 0.892 -6.349 0.722 1.00 0.00 N +ATOM 171 CA GLY A 10 1.749 -6.664 1.870 1.00 0.00 C +ATOM 172 C GLY A 10 2.432 -5.442 2.495 1.00 0.00 C +ATOM 173 O GLY A 10 3.341 -5.612 3.316 1.00 0.00 O +ATOM 174 H GLY A 10 -0.020 -5.949 0.925 1.00 0.00 H +ATOM 175 HA2 GLY A 10 1.134 -7.131 2.639 1.00 0.00 H +ATOM 176 HA3 GLY A 10 2.517 -7.381 1.579 1.00 0.00 H +ATOM 177 N GLY A 11 2.030 -4.224 2.106 1.00 0.00 N +ATOM 178 CA GLY A 11 2.562 -2.956 2.594 1.00 0.00 C +ATOM 179 C GLY A 11 4.077 -2.849 2.377 1.00 0.00 C +ATOM 180 O GLY A 11 4.519 -2.945 1.227 1.00 0.00 O +ATOM 181 H GLY A 11 1.324 -4.158 1.376 1.00 0.00 H +ATOM 182 HA2 GLY A 11 2.087 -2.147 2.042 1.00 0.00 H +ATOM 183 HA3 GLY A 11 2.297 -2.847 3.642 1.00 0.00 H +ATOM 184 N PRO A 12 4.898 -2.704 3.442 1.00 0.00 N +ATOM 185 CA PRO A 12 6.359 -2.670 3.324 1.00 0.00 C +ATOM 186 C PRO A 12 6.945 -3.880 2.582 1.00 0.00 C +ATOM 187 O PRO A 12 7.983 -3.757 1.936 1.00 0.00 O +ATOM 188 CB PRO A 12 6.900 -2.604 4.759 1.00 0.00 C +ATOM 189 CG PRO A 12 5.728 -2.068 5.577 1.00 0.00 C +ATOM 190 CD PRO A 12 4.512 -2.626 4.845 1.00 0.00 C +ATOM 191 HA PRO A 12 6.641 -1.759 2.794 1.00 0.00 H +ATOM 192 HB2 PRO A 12 7.189 -3.579 5.102 1.00 0.00 H +ATOM 193 HB3 PRO A 12 7.769 -1.950 4.830 1.00 0.00 H +ATOM 194 HG2 PRO A 12 5.767 -2.427 6.588 1.00 0.00 H +ATOM 195 HG3 PRO A 12 5.715 -0.978 5.530 1.00 0.00 H +ATOM 196 HD2 PRO A 12 4.264 -3.600 5.220 1.00 0.00 H +ATOM 197 HD3 PRO A 12 3.657 -1.969 5.001 1.00 0.00 H +ATOM 198 N SER A 13 6.257 -5.031 2.623 1.00 0.00 N +ATOM 199 CA SER A 13 6.670 -6.282 1.972 1.00 0.00 C +ATOM 200 C SER A 13 6.824 -6.145 0.453 1.00 0.00 C +ATOM 201 O SER A 13 7.646 -6.844 -0.133 1.00 0.00 O +ATOM 202 CB SER A 13 5.666 -7.410 2.245 1.00 0.00 C +ATOM 203 OG SER A 13 5.190 -7.395 3.578 1.00 0.00 O +ATOM 204 H SER A 13 5.393 -5.044 3.149 1.00 0.00 H +ATOM 205 HA SER A 13 7.634 -6.578 2.384 1.00 0.00 H +ATOM 206 HB2 SER A 13 4.832 -7.298 1.579 1.00 0.00 H +ATOM 207 HB3 SER A 13 6.147 -8.369 2.042 1.00 0.00 H +ATOM 208 HG SER A 13 4.440 -6.757 3.610 1.00 0.00 H +ATOM 209 N SER A 14 6.065 -5.236 -0.178 1.00 0.00 N +ATOM 210 CA SER A 14 6.173 -4.951 -1.616 1.00 0.00 C +ATOM 211 C SER A 14 7.384 -4.059 -1.960 1.00 0.00 C +ATOM 212 O SER A 14 7.680 -3.817 -3.128 1.00 0.00 O +ATOM 213 CB SER A 14 4.873 -4.299 -2.106 1.00 0.00 C +ATOM 214 OG SER A 14 4.686 -4.580 -3.476 1.00 0.00 O +ATOM 215 H SER A 14 5.428 -4.670 0.375 1.00 0.00 H +ATOM 216 HA SER A 14 6.289 -5.897 -2.145 1.00 0.00 H +ATOM 217 HB2 SER A 14 4.045 -4.689 -1.546 1.00 0.00 H +ATOM 218 HB3 SER A 14 4.926 -3.220 -1.965 1.00 0.00 H +ATOM 219 HG SER A 14 3.848 -5.193 -3.590 1.00 0.00 H +ATOM 220 N GLY A 15 8.094 -3.531 -0.951 1.00 0.00 N +ATOM 221 CA GLY A 15 9.291 -2.699 -1.108 1.00 0.00 C +ATOM 222 C GLY A 15 9.020 -1.228 -1.452 1.00 0.00 C +ATOM 223 O GLY A 15 9.943 -0.418 -1.405 1.00 0.00 O +ATOM 224 H GLY A 15 7.836 -3.773 0.003 1.00 0.00 H +ATOM 225 HA2 GLY A 15 9.859 -2.730 -0.178 1.00 0.00 H +ATOM 226 HA3 GLY A 15 9.916 -3.120 -1.896 1.00 0.00 H +ATOM 227 N ARG A 16 7.772 -0.861 -1.777 1.00 0.00 N +ATOM 228 CA ARG A 16 7.352 0.518 -2.058 1.00 0.00 C +ATOM 229 C ARG A 16 6.926 1.233 -0.760 1.00 0.00 C +ATOM 230 O ARG A 16 6.220 0.619 0.040 1.00 0.00 O +ATOM 231 CB ARG A 16 6.203 0.479 -3.084 1.00 0.00 C +ATOM 232 CG ARG A 16 5.906 1.869 -3.663 1.00 0.00 C +ATOM 233 CD ARG A 16 4.859 1.824 -4.784 1.00 0.00 C +ATOM 234 NE ARG A 16 5.035 2.953 -5.722 1.00 0.00 N +ATOM 235 CZ ARG A 16 5.956 3.050 -6.675 1.00 0.00 C +ATOM 236 NH1 ARG A 16 6.818 2.086 -6.908 1.00 0.00 N +ATOM 237 NH2 ARG A 16 6.038 4.130 -7.417 1.00 0.00 N +ATOM 238 H ARG A 16 7.080 -1.599 -1.790 1.00 0.00 H +ATOM 239 HA ARG A 16 8.204 1.035 -2.496 1.00 0.00 H +ATOM 240 HB2 ARG A 16 6.476 -0.180 -3.886 1.00 0.00 H +ATOM 241 HB3 ARG A 16 5.302 0.068 -2.623 1.00 0.00 H +ATOM 242 HG2 ARG A 16 5.541 2.500 -2.875 1.00 0.00 H +ATOM 243 HG3 ARG A 16 6.835 2.270 -4.065 1.00 0.00 H +ATOM 244 HD2 ARG A 16 4.961 0.902 -5.323 1.00 0.00 H +ATOM 245 HD3 ARG A 16 3.862 1.868 -4.338 1.00 0.00 H +ATOM 246 HE ARG A 16 4.410 3.733 -5.609 1.00 0.00 H +ATOM 247 HH11 ARG A 16 6.760 1.254 -6.348 1.00 0.00 H +ATOM 248 HH12 ARG A 16 7.516 2.163 -7.627 1.00 0.00 H +ATOM 249 HH21 ARG A 16 5.407 4.899 -7.273 1.00 0.00 H +ATOM 250 HH22 ARG A 16 6.744 4.192 -8.129 1.00 0.00 H +ATOM 251 N PRO A 17 7.271 2.523 -0.549 1.00 0.00 N +ATOM 252 CA PRO A 17 6.808 3.297 0.611 1.00 0.00 C +ATOM 253 C PRO A 17 5.279 3.519 0.624 1.00 0.00 C +ATOM 254 O PRO A 17 4.632 3.367 -0.415 1.00 0.00 O +ATOM 255 CB PRO A 17 7.573 4.626 0.537 1.00 0.00 C +ATOM 256 CG PRO A 17 7.901 4.777 -0.945 1.00 0.00 C +ATOM 257 CD PRO A 17 8.157 3.337 -1.372 1.00 0.00 C +ATOM 258 HA PRO A 17 7.094 2.768 1.522 1.00 0.00 H +ATOM 259 HB2 PRO A 17 6.961 5.439 0.877 1.00 0.00 H +ATOM 260 HB3 PRO A 17 8.500 4.546 1.107 1.00 0.00 H +ATOM 261 HG2 PRO A 17 7.076 5.201 -1.484 1.00 0.00 H +ATOM 262 HG3 PRO A 17 8.773 5.411 -1.109 1.00 0.00 H +ATOM 263 HD2 PRO A 17 7.927 3.208 -2.412 1.00 0.00 H +ATOM 264 HD3 PRO A 17 9.192 3.067 -1.160 1.00 0.00 H +ATOM 265 N PRO A 18 4.694 3.905 1.780 1.00 0.00 N +ATOM 266 CA PRO A 18 3.255 4.134 1.918 1.00 0.00 C +ATOM 267 C PRO A 18 2.773 5.345 1.089 1.00 0.00 C +ATOM 268 O PRO A 18 3.434 6.387 1.085 1.00 0.00 O +ATOM 269 CB PRO A 18 2.999 4.340 3.415 1.00 0.00 C +ATOM 270 CG PRO A 18 4.345 4.826 3.946 1.00 0.00 C +ATOM 271 CD PRO A 18 5.352 4.088 3.066 1.00 0.00 C +ATOM 272 HA PRO A 18 2.740 3.228 1.610 1.00 0.00 H +ATOM 273 HB2 PRO A 18 2.235 5.077 3.575 1.00 0.00 H +ATOM 274 HB3 PRO A 18 2.750 3.384 3.875 1.00 0.00 H +ATOM 275 HG2 PRO A 18 4.442 5.889 3.834 1.00 0.00 H +ATOM 276 HG3 PRO A 18 4.476 4.586 5.001 1.00 0.00 H +ATOM 277 HD2 PRO A 18 6.245 4.671 2.949 1.00 0.00 H +ATOM 278 HD3 PRO A 18 5.572 3.112 3.500 1.00 0.00 H +ATOM 279 N PRO A 19 1.634 5.227 0.378 1.00 0.00 N +ATOM 280 CA PRO A 19 1.081 6.286 -0.462 1.00 0.00 C +ATOM 281 C PRO A 19 0.140 7.224 0.318 1.00 0.00 C +ATOM 282 O PRO A 19 -0.995 6.854 0.627 1.00 0.00 O +ATOM 283 CB PRO A 19 0.343 5.530 -1.568 1.00 0.00 C +ATOM 284 CG PRO A 19 -0.205 4.301 -0.835 1.00 0.00 C +ATOM 285 CD PRO A 19 0.881 3.994 0.190 1.00 0.00 C +ATOM 286 HA PRO A 19 1.884 6.872 -0.910 1.00 0.00 H +ATOM 287 HB2 PRO A 19 -0.453 6.123 -1.976 1.00 0.00 H +ATOM 288 HB3 PRO A 19 1.059 5.213 -2.327 1.00 0.00 H +ATOM 289 HG2 PRO A 19 -1.137 4.524 -0.353 1.00 0.00 H +ATOM 290 HG3 PRO A 19 -0.362 3.458 -1.502 1.00 0.00 H +ATOM 291 HD2 PRO A 19 0.439 3.685 1.117 1.00 0.00 H +ATOM 292 HD3 PRO A 19 1.543 3.227 -0.214 1.00 0.00 H +ATOM 293 N SER A 20 0.592 8.464 0.558 1.00 0.00 N +ATOM 294 CA SER A 20 -0.080 9.471 1.411 1.00 0.00 C +ATOM 295 C SER A 20 -0.300 8.997 2.863 1.00 0.00 C +ATOM 296 O SER A 20 -1.168 9.604 3.527 1.00 0.00 O +ATOM 297 CB SER A 20 -1.392 9.955 0.771 1.00 0.00 C +ATOM 298 OG SER A 20 -1.109 10.475 -0.508 1.00 0.00 O +ATOM 299 OXT SER A 20 0.428 8.079 3.303 1.00 0.00 O +ATOM 300 H SER A 20 1.561 8.632 0.336 1.00 0.00 H +ATOM 301 HA SER A 20 0.570 10.339 1.493 1.00 0.00 H +ATOM 302 HB2 SER A 20 -2.075 9.132 0.683 1.00 0.00 H +ATOM 303 HB3 SER A 20 -1.847 10.731 1.390 1.00 0.00 H +ATOM 304 HG SER A 20 -0.488 9.864 -0.909 1.00 0.00 H +TER 305 SER A 20 +ENDMDL +MODEL 26 +ATOM 1 N ASN A 1 -6.391 7.510 1.067 1.00 0.00 N +ATOM 2 CA ASN A 1 -7.401 6.806 0.244 1.00 0.00 C +ATOM 3 C ASN A 1 -6.844 5.505 -0.338 1.00 0.00 C +ATOM 4 O ASN A 1 -7.312 4.446 0.047 1.00 0.00 O +ATOM 5 CB ASN A 1 -8.052 7.731 -0.811 1.00 0.00 C +ATOM 6 CG ASN A 1 -9.488 7.309 -1.115 1.00 0.00 C +ATOM 7 OD1 ASN A 1 -10.112 6.606 -0.339 1.00 0.00 O +ATOM 8 ND2 ASN A 1 -10.066 7.738 -2.223 1.00 0.00 N +ATOM 9 H1 ASN A 1 -5.984 6.869 1.737 1.00 0.00 H +ATOM 10 H2 ASN A 1 -5.657 7.891 0.486 1.00 0.00 H +ATOM 11 H3 ASN A 1 -6.829 8.267 1.573 1.00 0.00 H +ATOM 12 HA ASN A 1 -8.203 6.494 0.918 1.00 0.00 H +ATOM 13 HB2 ASN A 1 -8.056 8.737 -0.438 1.00 0.00 H +ATOM 14 HB3 ASN A 1 -7.467 7.735 -1.732 1.00 0.00 H +ATOM 15 HD21 ASN A 1 -9.621 8.342 -2.895 1.00 0.00 H +ATOM 16 HD22 ASN A 1 -11.024 7.438 -2.329 1.00 0.00 H +ATOM 17 N LEU A 2 -5.809 5.545 -1.190 1.00 0.00 N +ATOM 18 CA LEU A 2 -5.260 4.361 -1.876 1.00 0.00 C +ATOM 19 C LEU A 2 -4.455 3.379 -0.984 1.00 0.00 C +ATOM 20 O LEU A 2 -3.894 2.406 -1.484 1.00 0.00 O +ATOM 21 CB LEU A 2 -4.436 4.848 -3.091 1.00 0.00 C +ATOM 22 CG LEU A 2 -4.581 3.949 -4.337 1.00 0.00 C +ATOM 23 CD1 LEU A 2 -5.961 4.101 -4.990 1.00 0.00 C +ATOM 24 CD2 LEU A 2 -3.517 4.307 -5.376 1.00 0.00 C +ATOM 25 H LEU A 2 -5.432 6.430 -1.495 1.00 0.00 H +ATOM 26 HA LEU A 2 -6.112 3.787 -2.244 1.00 0.00 H +ATOM 27 HB2 LEU A 2 -4.762 5.838 -3.347 1.00 0.00 H +ATOM 28 HB3 LEU A 2 -3.385 4.897 -2.803 1.00 0.00 H +ATOM 29 HG LEU A 2 -4.439 2.910 -4.055 1.00 0.00 H +ATOM 30 HD11 LEU A 2 -6.748 3.783 -4.309 1.00 0.00 H +ATOM 31 HD12 LEU A 2 -6.130 5.140 -5.275 1.00 0.00 H +ATOM 32 HD13 LEU A 2 -6.013 3.478 -5.884 1.00 0.00 H +ATOM 33 HD21 LEU A 2 -3.640 5.340 -5.703 1.00 0.00 H +ATOM 34 HD22 LEU A 2 -2.523 4.177 -4.947 1.00 0.00 H +ATOM 35 HD23 LEU A 2 -3.611 3.645 -6.237 1.00 0.00 H +ATOM 36 N TYR A 3 -4.393 3.603 0.335 1.00 0.00 N +ATOM 37 CA TYR A 3 -3.609 2.805 1.286 1.00 0.00 C +ATOM 38 C TYR A 3 -3.980 1.311 1.271 1.00 0.00 C +ATOM 39 O TYR A 3 -3.097 0.457 1.342 1.00 0.00 O +ATOM 40 CB TYR A 3 -3.768 3.413 2.688 1.00 0.00 C +ATOM 41 CG TYR A 3 -2.733 2.956 3.700 1.00 0.00 C +ATOM 42 CD1 TYR A 3 -1.416 3.452 3.615 1.00 0.00 C +ATOM 43 CD2 TYR A 3 -3.089 2.094 4.759 1.00 0.00 C +ATOM 44 CE1 TYR A 3 -0.459 3.085 4.578 1.00 0.00 C +ATOM 45 CE2 TYR A 3 -2.137 1.743 5.737 1.00 0.00 C +ATOM 46 CZ TYR A 3 -0.818 2.240 5.645 1.00 0.00 C +ATOM 47 OH TYR A 3 0.102 1.933 6.600 1.00 0.00 O +ATOM 48 H TYR A 3 -4.931 4.374 0.692 1.00 0.00 H +ATOM 49 HA TYR A 3 -2.558 2.880 1.004 1.00 0.00 H +ATOM 50 HB2 TYR A 3 -3.700 4.480 2.599 1.00 0.00 H +ATOM 51 HB3 TYR A 3 -4.769 3.193 3.064 1.00 0.00 H +ATOM 52 HD1 TYR A 3 -1.140 4.153 2.841 1.00 0.00 H +ATOM 53 HD2 TYR A 3 -4.101 1.723 4.839 1.00 0.00 H +ATOM 54 HE1 TYR A 3 0.543 3.484 4.536 1.00 0.00 H +ATOM 55 HE2 TYR A 3 -2.415 1.104 6.560 1.00 0.00 H +ATOM 56 HH TYR A 3 -0.304 1.658 7.423 1.00 0.00 H +ATOM 57 N ILE A 4 -5.271 0.979 1.105 1.00 0.00 N +ATOM 58 CA ILE A 4 -5.754 -0.410 1.022 1.00 0.00 C +ATOM 59 C ILE A 4 -5.089 -1.175 -0.139 1.00 0.00 C +ATOM 60 O ILE A 4 -4.712 -2.334 0.030 1.00 0.00 O +ATOM 61 CB ILE A 4 -7.299 -0.466 0.907 1.00 0.00 C +ATOM 62 CG1 ILE A 4 -8.026 0.325 2.026 1.00 0.00 C +ATOM 63 CG2 ILE A 4 -7.790 -1.925 0.951 1.00 0.00 C +ATOM 64 CD1 ILE A 4 -8.616 1.639 1.507 1.00 0.00 C +ATOM 65 H ILE A 4 -5.941 1.734 1.048 1.00 0.00 H +ATOM 66 HA ILE A 4 -5.466 -0.915 1.945 1.00 0.00 H +ATOM 67 HB ILE A 4 -7.586 -0.056 -0.062 1.00 0.00 H +ATOM 68 HG12 ILE A 4 -8.820 -0.280 2.419 1.00 0.00 H +ATOM 69 HG13 ILE A 4 -7.342 0.536 2.850 1.00 0.00 H +ATOM 70 HG21 ILE A 4 -7.387 -2.483 0.107 1.00 0.00 H +ATOM 71 HG22 ILE A 4 -7.482 -2.388 1.890 1.00 0.00 H +ATOM 72 HG23 ILE A 4 -8.878 -1.947 0.874 1.00 0.00 H +ATOM 73 HD11 ILE A 4 -7.815 2.287 1.164 1.00 0.00 H +ATOM 74 HD12 ILE A 4 -9.304 1.440 0.682 1.00 0.00 H +ATOM 75 HD13 ILE A 4 -9.164 2.137 2.308 1.00 0.00 H +ATOM 76 N GLN A 5 -4.926 -0.531 -1.304 1.00 0.00 N +ATOM 77 CA GLN A 5 -4.245 -1.108 -2.469 1.00 0.00 C +ATOM 78 C GLN A 5 -2.765 -1.396 -2.181 1.00 0.00 C +ATOM 79 O GLN A 5 -2.271 -2.461 -2.542 1.00 0.00 O +ATOM 80 CB GLN A 5 -4.387 -0.170 -3.681 1.00 0.00 C +ATOM 81 CG GLN A 5 -5.621 -0.468 -4.541 1.00 0.00 C +ATOM 82 CD GLN A 5 -5.458 -1.776 -5.310 1.00 0.00 C +ATOM 83 OE1 GLN A 5 -4.686 -1.876 -6.248 1.00 0.00 O +ATOM 84 NE2 GLN A 5 -6.163 -2.827 -4.942 1.00 0.00 N +ATOM 85 H GLN A 5 -5.175 0.448 -1.343 1.00 0.00 H +ATOM 86 HA GLN A 5 -4.705 -2.066 -2.705 1.00 0.00 H +ATOM 87 HB2 GLN A 5 -4.457 0.839 -3.324 1.00 0.00 H +ATOM 88 HB3 GLN A 5 -3.501 -0.243 -4.314 1.00 0.00 H +ATOM 89 HG2 GLN A 5 -6.481 -0.542 -3.904 1.00 0.00 H +ATOM 90 HG3 GLN A 5 -5.740 0.337 -5.267 1.00 0.00 H +ATOM 91 HE21 GLN A 5 -6.842 -2.805 -4.203 1.00 0.00 H +ATOM 92 HE22 GLN A 5 -5.976 -3.641 -5.504 1.00 0.00 H +ATOM 93 N TRP A 6 -2.070 -0.489 -1.486 1.00 0.00 N +ATOM 94 CA TRP A 6 -0.694 -0.725 -1.048 1.00 0.00 C +ATOM 95 C TRP A 6 -0.586 -1.880 -0.041 1.00 0.00 C +ATOM 96 O TRP A 6 0.293 -2.734 -0.172 1.00 0.00 O +ATOM 97 CB TRP A 6 -0.120 0.575 -0.487 1.00 0.00 C +ATOM 98 CG TRP A 6 1.275 0.460 0.036 1.00 0.00 C +ATOM 99 CD1 TRP A 6 2.391 0.368 -0.723 1.00 0.00 C +ATOM 100 CD2 TRP A 6 1.722 0.382 1.424 1.00 0.00 C +ATOM 101 NE1 TRP A 6 3.492 0.238 0.099 1.00 0.00 N +ATOM 102 CE2 TRP A 6 3.144 0.266 1.428 1.00 0.00 C +ATOM 103 CE3 TRP A 6 1.079 0.400 2.681 1.00 0.00 C +ATOM 104 CZ2 TRP A 6 3.896 0.202 2.607 1.00 0.00 C +ATOM 105 CZ3 TRP A 6 1.824 0.321 3.875 1.00 0.00 C +ATOM 106 CH2 TRP A 6 3.227 0.234 3.842 1.00 0.00 C +ATOM 107 H TRP A 6 -2.540 0.365 -1.212 1.00 0.00 H +ATOM 108 HA TRP A 6 -0.096 -1.008 -1.916 1.00 0.00 H +ATOM 109 HB2 TRP A 6 -0.125 1.309 -1.269 1.00 0.00 H +ATOM 110 HB3 TRP A 6 -0.758 0.938 0.318 1.00 0.00 H +ATOM 111 HD1 TRP A 6 2.415 0.380 -1.804 1.00 0.00 H +ATOM 112 HE1 TRP A 6 4.461 0.154 -0.221 1.00 0.00 H +ATOM 113 HE3 TRP A 6 0.002 0.485 2.724 1.00 0.00 H +ATOM 114 HZ2 TRP A 6 4.971 0.113 2.553 1.00 0.00 H +ATOM 115 HZ3 TRP A 6 1.315 0.339 4.828 1.00 0.00 H +ATOM 116 HH2 TRP A 6 3.787 0.188 4.764 1.00 0.00 H +ATOM 117 N LEU A 7 -1.509 -1.961 0.928 1.00 0.00 N +ATOM 118 CA LEU A 7 -1.576 -3.104 1.842 1.00 0.00 C +ATOM 119 C LEU A 7 -1.846 -4.428 1.109 1.00 0.00 C +ATOM 120 O LEU A 7 -1.246 -5.436 1.477 1.00 0.00 O +ATOM 121 CB LEU A 7 -2.635 -2.881 2.933 1.00 0.00 C +ATOM 122 CG LEU A 7 -2.340 -1.734 3.917 1.00 0.00 C +ATOM 123 CD1 LEU A 7 -3.514 -1.637 4.896 1.00 0.00 C +ATOM 124 CD2 LEU A 7 -1.050 -1.947 4.717 1.00 0.00 C +ATOM 125 H LEU A 7 -2.179 -1.199 1.017 1.00 0.00 H +ATOM 126 HA LEU A 7 -0.602 -3.218 2.316 1.00 0.00 H +ATOM 127 HB2 LEU A 7 -3.569 -2.670 2.449 1.00 0.00 H +ATOM 128 HB3 LEU A 7 -2.724 -3.804 3.508 1.00 0.00 H +ATOM 129 HG LEU A 7 -2.258 -0.794 3.378 1.00 0.00 H +ATOM 130 HD11 LEU A 7 -4.444 -1.501 4.345 1.00 0.00 H +ATOM 131 HD12 LEU A 7 -3.577 -2.544 5.497 1.00 0.00 H +ATOM 132 HD13 LEU A 7 -3.373 -0.786 5.557 1.00 0.00 H +ATOM 133 HD21 LEU A 7 -1.082 -2.901 5.242 1.00 0.00 H +ATOM 134 HD22 LEU A 7 -0.188 -1.932 4.050 1.00 0.00 H +ATOM 135 HD23 LEU A 7 -0.929 -1.141 5.440 1.00 0.00 H +ATOM 136 N LYS A 8 -2.690 -4.435 0.061 1.00 0.00 N +ATOM 137 CA LYS A 8 -2.971 -5.620 -0.774 1.00 0.00 C +ATOM 138 C LYS A 8 -1.703 -6.283 -1.322 1.00 0.00 C +ATOM 139 O LYS A 8 -1.660 -7.507 -1.400 1.00 0.00 O +ATOM 140 CB LYS A 8 -3.900 -5.260 -1.954 1.00 0.00 C +ATOM 141 CG LYS A 8 -5.270 -5.950 -1.934 1.00 0.00 C +ATOM 142 CD LYS A 8 -6.299 -5.296 -1.003 1.00 0.00 C +ATOM 143 CE LYS A 8 -6.225 -5.825 0.432 1.00 0.00 C +ATOM 144 NZ LYS A 8 -7.472 -5.522 1.173 1.00 0.00 N +ATOM 145 H LYS A 8 -3.165 -3.561 -0.155 1.00 0.00 H +ATOM 146 HA LYS A 8 -3.442 -6.380 -0.153 1.00 0.00 H +ATOM 147 HB2 LYS A 8 -4.061 -4.199 -1.939 1.00 0.00 H +ATOM 148 HB3 LYS A 8 -3.414 -5.561 -2.885 1.00 0.00 H +ATOM 149 HG2 LYS A 8 -5.666 -5.938 -2.931 1.00 0.00 H +ATOM 150 HG3 LYS A 8 -5.158 -7.008 -1.693 1.00 0.00 H +ATOM 151 HD2 LYS A 8 -6.123 -4.238 -0.987 1.00 0.00 H +ATOM 152 HD3 LYS A 8 -7.289 -5.514 -1.408 1.00 0.00 H +ATOM 153 HE2 LYS A 8 -6.080 -6.888 0.407 1.00 0.00 H +ATOM 154 HE3 LYS A 8 -5.360 -5.380 0.933 1.00 0.00 H +ATOM 155 HZ1 LYS A 8 -7.622 -4.522 1.214 1.00 0.00 H +ATOM 156 HZ2 LYS A 8 -8.262 -5.946 0.705 1.00 0.00 H +ATOM 157 HZ3 LYS A 8 -7.423 -5.889 2.114 1.00 0.00 H +ATOM 158 N ASP A 9 -0.697 -5.489 -1.696 1.00 0.00 N +ATOM 159 CA ASP A 9 0.578 -5.995 -2.210 1.00 0.00 C +ATOM 160 C ASP A 9 1.430 -6.676 -1.116 1.00 0.00 C +ATOM 161 O ASP A 9 2.217 -7.569 -1.419 1.00 0.00 O +ATOM 162 CB ASP A 9 1.320 -4.822 -2.871 1.00 0.00 C +ATOM 163 CG ASP A 9 2.419 -5.299 -3.819 1.00 0.00 C +ATOM 164 OD1 ASP A 9 3.520 -5.598 -3.301 1.00 0.00 O +ATOM 165 OD2 ASP A 9 2.157 -5.333 -5.040 1.00 0.00 O +ATOM 166 H ASP A 9 -0.826 -4.488 -1.630 1.00 0.00 H +ATOM 167 HA ASP A 9 0.373 -6.742 -2.979 1.00 0.00 H +ATOM 168 HB2 ASP A 9 0.614 -4.235 -3.427 1.00 0.00 H +ATOM 169 HB3 ASP A 9 1.750 -4.177 -2.102 1.00 0.00 H +ATOM 170 N GLY A 10 1.241 -6.295 0.157 1.00 0.00 N +ATOM 171 CA GLY A 10 2.072 -6.717 1.292 1.00 0.00 C +ATOM 172 C GLY A 10 2.600 -5.567 2.160 1.00 0.00 C +ATOM 173 O GLY A 10 3.329 -5.819 3.122 1.00 0.00 O +ATOM 174 H GLY A 10 0.439 -5.705 0.348 1.00 0.00 H +ATOM 175 HA2 GLY A 10 1.481 -7.376 1.928 1.00 0.00 H +ATOM 176 HA3 GLY A 10 2.933 -7.279 0.931 1.00 0.00 H +ATOM 177 N GLY A 11 2.242 -4.309 1.862 1.00 0.00 N +ATOM 178 CA GLY A 11 2.640 -3.145 2.653 1.00 0.00 C +ATOM 179 C GLY A 11 4.171 -3.021 2.779 1.00 0.00 C +ATOM 180 O GLY A 11 4.857 -3.010 1.755 1.00 0.00 O +ATOM 181 H GLY A 11 1.703 -4.147 1.019 1.00 0.00 H +ATOM 182 HA2 GLY A 11 2.262 -2.248 2.167 1.00 0.00 H +ATOM 183 HA3 GLY A 11 2.174 -3.222 3.633 1.00 0.00 H +ATOM 184 N PRO A 12 4.750 -2.936 3.998 1.00 0.00 N +ATOM 185 CA PRO A 12 6.203 -2.848 4.176 1.00 0.00 C +ATOM 186 C PRO A 12 6.986 -3.997 3.521 1.00 0.00 C +ATOM 187 O PRO A 12 8.127 -3.802 3.103 1.00 0.00 O +ATOM 188 CB PRO A 12 6.446 -2.831 5.690 1.00 0.00 C +ATOM 189 CG PRO A 12 5.113 -2.378 6.278 1.00 0.00 C +ATOM 190 CD PRO A 12 4.086 -2.931 5.293 1.00 0.00 C +ATOM 191 HA PRO A 12 6.548 -1.905 3.749 1.00 0.00 H +ATOM 192 HB2 PRO A 12 6.705 -3.810 6.045 1.00 0.00 H +ATOM 193 HB3 PRO A 12 7.253 -2.148 5.957 1.00 0.00 H +ATOM 194 HG2 PRO A 12 4.966 -2.790 7.258 1.00 0.00 H +ATOM 195 HG3 PRO A 12 5.066 -1.289 6.283 1.00 0.00 H +ATOM 196 HD2 PRO A 12 3.799 -3.927 5.571 1.00 0.00 H +ATOM 197 HD3 PRO A 12 3.196 -2.303 5.294 1.00 0.00 H +ATOM 198 N SER A 13 6.377 -5.184 3.397 1.00 0.00 N +ATOM 199 CA SER A 13 6.999 -6.365 2.789 1.00 0.00 C +ATOM 200 C SER A 13 7.090 -6.294 1.255 1.00 0.00 C +ATOM 201 O SER A 13 7.691 -7.181 0.653 1.00 0.00 O +ATOM 202 CB SER A 13 6.253 -7.630 3.234 1.00 0.00 C +ATOM 203 OG SER A 13 6.246 -7.721 4.648 1.00 0.00 O +ATOM 204 H SER A 13 5.417 -5.288 3.715 1.00 0.00 H +ATOM 205 HA SER A 13 8.023 -6.439 3.156 1.00 0.00 H +ATOM 206 HB2 SER A 13 5.242 -7.590 2.876 1.00 0.00 H +ATOM 207 HB3 SER A 13 6.749 -8.510 2.826 1.00 0.00 H +ATOM 208 HG SER A 13 7.152 -7.694 4.967 1.00 0.00 H +ATOM 209 N SER A 14 6.547 -5.244 0.623 1.00 0.00 N +ATOM 210 CA SER A 14 6.546 -5.037 -0.834 1.00 0.00 C +ATOM 211 C SER A 14 7.710 -4.195 -1.366 1.00 0.00 C +ATOM 212 O SER A 14 7.806 -3.980 -2.574 1.00 0.00 O +ATOM 213 CB SER A 14 5.255 -4.326 -1.232 1.00 0.00 C +ATOM 214 OG SER A 14 4.168 -5.191 -1.045 1.00 0.00 O +ATOM 215 H SER A 14 6.016 -4.575 1.174 1.00 0.00 H +ATOM 216 HA SER A 14 6.572 -6.003 -1.341 1.00 0.00 H +ATOM 217 HB2 SER A 14 5.126 -3.452 -0.623 1.00 0.00 H +ATOM 218 HB3 SER A 14 5.295 -4.054 -2.288 1.00 0.00 H +ATOM 219 HG SER A 14 3.879 -5.451 -2.001 1.00 0.00 H +ATOM 220 N GLY A 15 8.565 -3.636 -0.501 1.00 0.00 N +ATOM 221 CA GLY A 15 9.674 -2.757 -0.898 1.00 0.00 C +ATOM 222 C GLY A 15 9.253 -1.339 -1.324 1.00 0.00 C +ATOM 223 O GLY A 15 9.969 -0.382 -1.033 1.00 0.00 O +ATOM 224 H GLY A 15 8.424 -3.831 0.482 1.00 0.00 H +ATOM 225 HA2 GLY A 15 10.376 -2.674 -0.069 1.00 0.00 H +ATOM 226 HA3 GLY A 15 10.203 -3.214 -1.736 1.00 0.00 H +ATOM 227 N ARG A 16 8.102 -1.178 -1.996 1.00 0.00 N +ATOM 228 CA ARG A 16 7.531 0.125 -2.365 1.00 0.00 C +ATOM 229 C ARG A 16 6.961 0.857 -1.128 1.00 0.00 C +ATOM 230 O ARG A 16 6.215 0.232 -0.372 1.00 0.00 O +ATOM 231 CB ARG A 16 6.442 -0.081 -3.437 1.00 0.00 C +ATOM 232 CG ARG A 16 5.971 1.260 -4.018 1.00 0.00 C +ATOM 233 CD ARG A 16 4.982 1.094 -5.178 1.00 0.00 C +ATOM 234 NE ARG A 16 4.802 2.367 -5.907 1.00 0.00 N +ATOM 235 CZ ARG A 16 5.658 2.919 -6.763 1.00 0.00 C +ATOM 236 NH1 ARG A 16 6.787 2.331 -7.088 1.00 0.00 N +ATOM 237 NH2 ARG A 16 5.400 4.083 -7.311 1.00 0.00 N +ATOM 238 H ARG A 16 7.619 -2.035 -2.253 1.00 0.00 H +ATOM 239 HA ARG A 16 8.340 0.714 -2.794 1.00 0.00 H +ATOM 240 HB2 ARG A 16 6.841 -0.685 -4.229 1.00 0.00 H +ATOM 241 HB3 ARG A 16 5.593 -0.617 -3.009 1.00 0.00 H +ATOM 242 HG2 ARG A 16 5.493 1.822 -3.239 1.00 0.00 H +ATOM 243 HG3 ARG A 16 6.844 1.801 -4.375 1.00 0.00 H +ATOM 244 HD2 ARG A 16 5.357 0.352 -5.856 1.00 0.00 H +ATOM 245 HD3 ARG A 16 4.021 0.765 -4.779 1.00 0.00 H +ATOM 246 HE ARG A 16 3.960 2.882 -5.711 1.00 0.00 H +ATOM 247 HH11 ARG A 16 6.987 1.438 -6.674 1.00 0.00 H +ATOM 248 HH12 ARG A 16 7.437 2.753 -7.728 1.00 0.00 H +ATOM 249 HH21 ARG A 16 4.551 4.572 -7.091 1.00 0.00 H +ATOM 250 HH22 ARG A 16 6.056 4.492 -7.951 1.00 0.00 H +ATOM 251 N PRO A 17 7.229 2.166 -0.931 1.00 0.00 N +ATOM 252 CA PRO A 17 6.645 2.952 0.164 1.00 0.00 C +ATOM 253 C PRO A 17 5.124 3.174 0.002 1.00 0.00 C +ATOM 254 O PRO A 17 4.593 2.997 -1.099 1.00 0.00 O +ATOM 255 CB PRO A 17 7.407 4.284 0.146 1.00 0.00 C +ATOM 256 CG PRO A 17 7.816 4.441 -1.315 1.00 0.00 C +ATOM 257 CD PRO A 17 8.118 3.003 -1.727 1.00 0.00 C +ATOM 258 HA PRO A 17 6.829 2.440 1.109 1.00 0.00 H +ATOM 259 HB2 PRO A 17 6.773 5.093 0.456 1.00 0.00 H +ATOM 260 HB3 PRO A 17 8.301 4.200 0.766 1.00 0.00 H +ATOM 261 HG2 PRO A 17 7.016 4.853 -1.900 1.00 0.00 H +ATOM 262 HG3 PRO A 17 8.685 5.087 -1.430 1.00 0.00 H +ATOM 263 HD2 PRO A 17 7.923 2.865 -2.773 1.00 0.00 H +ATOM 264 HD3 PRO A 17 9.154 2.758 -1.485 1.00 0.00 H +ATOM 265 N PRO A 18 4.413 3.584 1.073 1.00 0.00 N +ATOM 266 CA PRO A 18 2.970 3.822 1.030 1.00 0.00 C +ATOM 267 C PRO A 18 2.594 5.069 0.201 1.00 0.00 C +ATOM 268 O PRO A 18 3.394 5.998 0.089 1.00 0.00 O +ATOM 269 CB PRO A 18 2.538 3.970 2.492 1.00 0.00 C +ATOM 270 CG PRO A 18 3.794 4.489 3.188 1.00 0.00 C +ATOM 271 CD PRO A 18 4.918 3.789 2.425 1.00 0.00 C +ATOM 272 HA PRO A 18 2.489 2.946 0.603 1.00 0.00 H +ATOM 273 HB2 PRO A 18 1.732 4.672 2.584 1.00 0.00 H +ATOM 274 HB3 PRO A 18 2.286 2.991 2.895 1.00 0.00 H +ATOM 275 HG2 PRO A 18 3.872 5.555 3.099 1.00 0.00 H +ATOM 276 HG3 PRO A 18 3.805 4.232 4.248 1.00 0.00 H +ATOM 277 HD2 PRO A 18 5.797 4.405 2.406 1.00 0.00 H +ATOM 278 HD3 PRO A 18 5.127 2.823 2.884 1.00 0.00 H +ATOM 279 N PRO A 19 1.367 5.119 -0.360 1.00 0.00 N +ATOM 280 CA PRO A 19 0.902 6.218 -1.210 1.00 0.00 C +ATOM 281 C PRO A 19 0.393 7.441 -0.434 1.00 0.00 C +ATOM 282 O PRO A 19 0.376 8.539 -0.986 1.00 0.00 O +ATOM 283 CB PRO A 19 -0.244 5.614 -2.031 1.00 0.00 C +ATOM 284 CG PRO A 19 -0.838 4.567 -1.088 1.00 0.00 C +ATOM 285 CD PRO A 19 0.396 4.036 -0.365 1.00 0.00 C +ATOM 286 HA PRO A 19 1.700 6.542 -1.881 1.00 0.00 H +ATOM 287 HB2 PRO A 19 -0.972 6.361 -2.283 1.00 0.00 H +ATOM 288 HB3 PRO A 19 0.161 5.121 -2.915 1.00 0.00 H +ATOM 289 HG2 PRO A 19 -1.529 5.013 -0.399 1.00 0.00 H +ATOM 290 HG3 PRO A 19 -1.356 3.777 -1.634 1.00 0.00 H +ATOM 291 HD2 PRO A 19 0.146 3.757 0.640 1.00 0.00 H +ATOM 292 HD3 PRO A 19 0.819 3.209 -0.930 1.00 0.00 H +ATOM 293 N SER A 20 -0.071 7.250 0.808 1.00 0.00 N +ATOM 294 CA SER A 20 -0.627 8.275 1.694 1.00 0.00 C +ATOM 295 C SER A 20 -0.615 7.810 3.147 1.00 0.00 C +ATOM 296 O SER A 20 -0.310 6.619 3.378 1.00 0.00 O +ATOM 297 CB SER A 20 -2.071 8.593 1.302 1.00 0.00 C +ATOM 298 OG SER A 20 -2.519 9.564 2.220 1.00 0.00 O +ATOM 299 OXT SER A 20 -1.045 8.668 3.958 1.00 0.00 O +ATOM 300 H SER A 20 0.027 6.343 1.249 1.00 0.00 H +ATOM 301 HA SER A 20 -0.028 9.183 1.627 1.00 0.00 H +ATOM 302 HB2 SER A 20 -2.109 8.980 0.302 1.00 0.00 H +ATOM 303 HB3 SER A 20 -2.678 7.692 1.404 1.00 0.00 H +ATOM 304 HG SER A 20 -1.976 9.352 3.052 1.00 0.00 H +TER 305 SER A 20 +ENDMDL +MODEL 27 +ATOM 1 N ASN A 1 -6.891 7.053 0.882 1.00 0.00 N +ATOM 2 CA ASN A 1 -7.783 6.096 0.185 1.00 0.00 C +ATOM 3 C ASN A 1 -7.000 4.934 -0.439 1.00 0.00 C +ATOM 4 O ASN A 1 -7.252 3.795 -0.069 1.00 0.00 O +ATOM 5 CB ASN A 1 -8.741 6.795 -0.802 1.00 0.00 C +ATOM 6 CG ASN A 1 -10.186 6.423 -0.481 1.00 0.00 C +ATOM 7 OD1 ASN A 1 -10.742 5.509 -1.060 1.00 0.00 O +ATOM 8 ND2 ASN A 1 -10.818 7.078 0.477 1.00 0.00 N +ATOM 9 H1 ASN A 1 -6.270 6.561 1.512 1.00 0.00 H +ATOM 10 H2 ASN A 1 -6.341 7.576 0.215 1.00 0.00 H +ATOM 11 H3 ASN A 1 -7.442 7.704 1.424 1.00 0.00 H +ATOM 12 HA ASN A 1 -8.409 5.625 0.947 1.00 0.00 H +ATOM 13 HB2 ASN A 1 -8.621 7.858 -0.720 1.00 0.00 H +ATOM 14 HB3 ASN A 1 -8.526 6.488 -1.827 1.00 0.00 H +ATOM 15 HD21 ASN A 1 -10.460 7.874 0.978 1.00 0.00 H +ATOM 16 HD22 ASN A 1 -11.767 6.760 0.616 1.00 0.00 H +ATOM 17 N LEU A 2 -6.006 5.194 -1.304 1.00 0.00 N +ATOM 18 CA LEU A 2 -5.176 4.163 -1.955 1.00 0.00 C +ATOM 19 C LEU A 2 -4.381 3.236 -1.006 1.00 0.00 C +ATOM 20 O LEU A 2 -3.851 2.217 -1.451 1.00 0.00 O +ATOM 21 CB LEU A 2 -4.228 4.849 -2.968 1.00 0.00 C +ATOM 22 CG LEU A 2 -4.572 4.553 -4.446 1.00 0.00 C +ATOM 23 CD1 LEU A 2 -4.888 5.843 -5.207 1.00 0.00 C +ATOM 24 CD2 LEU A 2 -3.420 3.823 -5.139 1.00 0.00 C +ATOM 25 H LEU A 2 -5.840 6.139 -1.619 1.00 0.00 H +ATOM 26 HA LEU A 2 -5.853 3.499 -2.494 1.00 0.00 H +ATOM 27 HB2 LEU A 2 -4.280 5.910 -2.815 1.00 0.00 H +ATOM 28 HB3 LEU A 2 -3.207 4.517 -2.778 1.00 0.00 H +ATOM 29 HG LEU A 2 -5.453 3.919 -4.507 1.00 0.00 H +ATOM 30 HD11 LEU A 2 -5.757 6.328 -4.763 1.00 0.00 H +ATOM 31 HD12 LEU A 2 -4.034 6.520 -5.172 1.00 0.00 H +ATOM 32 HD13 LEU A 2 -5.113 5.608 -6.248 1.00 0.00 H +ATOM 33 HD21 LEU A 2 -2.521 4.441 -5.130 1.00 0.00 H +ATOM 34 HD22 LEU A 2 -3.217 2.884 -4.623 1.00 0.00 H +ATOM 35 HD23 LEU A 2 -3.691 3.600 -6.170 1.00 0.00 H +ATOM 36 N TYR A 3 -4.322 3.538 0.295 1.00 0.00 N +ATOM 37 CA TYR A 3 -3.630 2.739 1.309 1.00 0.00 C +ATOM 38 C TYR A 3 -4.063 1.261 1.312 1.00 0.00 C +ATOM 39 O TYR A 3 -3.226 0.377 1.478 1.00 0.00 O +ATOM 40 CB TYR A 3 -3.838 3.395 2.684 1.00 0.00 C +ATOM 41 CG TYR A 3 -2.746 3.070 3.682 1.00 0.00 C +ATOM 42 CD1 TYR A 3 -1.555 3.822 3.668 1.00 0.00 C +ATOM 43 CD2 TYR A 3 -2.916 2.041 4.628 1.00 0.00 C +ATOM 44 CE1 TYR A 3 -0.528 3.543 4.588 1.00 0.00 C +ATOM 45 CE2 TYR A 3 -1.889 1.757 5.549 1.00 0.00 C +ATOM 46 CZ TYR A 3 -0.690 2.503 5.526 1.00 0.00 C +ATOM 47 OH TYR A 3 0.302 2.210 6.407 1.00 0.00 O +ATOM 48 H TYR A 3 -4.782 4.379 0.596 1.00 0.00 H +ATOM 49 HA TYR A 3 -2.564 2.767 1.081 1.00 0.00 H +ATOM 50 HB2 TYR A 3 -3.870 4.459 2.551 1.00 0.00 H +ATOM 51 HB3 TYR A 3 -4.808 3.100 3.087 1.00 0.00 H +ATOM 52 HD1 TYR A 3 -1.427 4.632 2.963 1.00 0.00 H +ATOM 53 HD2 TYR A 3 -3.834 1.470 4.653 1.00 0.00 H +ATOM 54 HE1 TYR A 3 0.367 4.148 4.584 1.00 0.00 H +ATOM 55 HE2 TYR A 3 -1.998 0.980 6.291 1.00 0.00 H +ATOM 56 HH TYR A 3 1.068 2.771 6.272 1.00 0.00 H +ATOM 57 N ILE A 4 -5.351 0.975 1.056 1.00 0.00 N +ATOM 58 CA ILE A 4 -5.888 -0.395 0.981 1.00 0.00 C +ATOM 59 C ILE A 4 -5.258 -1.202 -0.170 1.00 0.00 C +ATOM 60 O ILE A 4 -5.000 -2.397 -0.010 1.00 0.00 O +ATOM 61 CB ILE A 4 -7.431 -0.365 0.840 1.00 0.00 C +ATOM 62 CG1 ILE A 4 -8.123 0.422 1.988 1.00 0.00 C +ATOM 63 CG2 ILE A 4 -8.009 -1.791 0.799 1.00 0.00 C +ATOM 64 CD1 ILE A 4 -8.974 1.614 1.515 1.00 0.00 C +ATOM 65 H ILE A 4 -5.981 1.754 0.908 1.00 0.00 H +ATOM 66 HA ILE A 4 -5.641 -0.909 1.910 1.00 0.00 H +ATOM 67 HB ILE A 4 -7.663 0.104 -0.117 1.00 0.00 H +ATOM 68 HG12 ILE A 4 -8.761 -0.255 2.523 1.00 0.00 H +ATOM 69 HG13 ILE A 4 -7.383 0.790 2.700 1.00 0.00 H +ATOM 70 HG21 ILE A 4 -7.689 -2.299 -0.111 1.00 0.00 H +ATOM 71 HG22 ILE A 4 -7.678 -2.350 1.677 1.00 0.00 H +ATOM 72 HG23 ILE A 4 -9.099 -1.748 0.791 1.00 0.00 H +ATOM 73 HD11 ILE A 4 -8.549 2.540 1.901 1.00 0.00 H +ATOM 74 HD12 ILE A 4 -9.023 1.674 0.427 1.00 0.00 H +ATOM 75 HD13 ILE A 4 -9.990 1.511 1.898 1.00 0.00 H +ATOM 76 N GLN A 5 -5.008 -0.559 -1.320 1.00 0.00 N +ATOM 77 CA GLN A 5 -4.326 -1.156 -2.473 1.00 0.00 C +ATOM 78 C GLN A 5 -2.853 -1.433 -2.147 1.00 0.00 C +ATOM 79 O GLN A 5 -2.377 -2.543 -2.369 1.00 0.00 O +ATOM 80 CB GLN A 5 -4.472 -0.240 -3.703 1.00 0.00 C +ATOM 81 CG GLN A 5 -5.830 -0.425 -4.399 1.00 0.00 C +ATOM 82 CD GLN A 5 -6.178 0.770 -5.279 1.00 0.00 C +ATOM 83 OE1 GLN A 5 -5.720 0.909 -6.400 1.00 0.00 O +ATOM 84 NE2 GLN A 5 -7.002 1.685 -4.804 1.00 0.00 N +ATOM 85 H GLN A 5 -5.155 0.443 -1.336 1.00 0.00 H +ATOM 86 HA GLN A 5 -4.787 -2.118 -2.705 1.00 0.00 H +ATOM 87 HB2 GLN A 5 -4.380 0.781 -3.387 1.00 0.00 H +ATOM 88 HB3 GLN A 5 -3.684 -0.462 -4.425 1.00 0.00 H +ATOM 89 HG2 GLN A 5 -5.791 -1.307 -5.009 1.00 0.00 H +ATOM 90 HG3 GLN A 5 -6.617 -0.559 -3.656 1.00 0.00 H +ATOM 91 HE21 GLN A 5 -7.431 1.614 -3.898 1.00 0.00 H +ATOM 92 HE22 GLN A 5 -7.199 2.423 -5.458 1.00 0.00 H +ATOM 93 N TRP A 6 -2.147 -0.465 -1.550 1.00 0.00 N +ATOM 94 CA TRP A 6 -0.764 -0.655 -1.100 1.00 0.00 C +ATOM 95 C TRP A 6 -0.620 -1.767 -0.046 1.00 0.00 C +ATOM 96 O TRP A 6 0.292 -2.590 -0.131 1.00 0.00 O +ATOM 97 CB TRP A 6 -0.223 0.670 -0.570 1.00 0.00 C +ATOM 98 CG TRP A 6 1.164 0.588 -0.013 1.00 0.00 C +ATOM 99 CD1 TRP A 6 2.300 0.553 -0.745 1.00 0.00 C +ATOM 100 CD2 TRP A 6 1.583 0.484 1.384 1.00 0.00 C +ATOM 101 NE1 TRP A 6 3.385 0.445 0.101 1.00 0.00 N +ATOM 102 CE2 TRP A 6 3.006 0.404 1.417 1.00 0.00 C +ATOM 103 CE3 TRP A 6 0.917 0.446 2.628 1.00 0.00 C +ATOM 104 CZ2 TRP A 6 3.739 0.321 2.605 1.00 0.00 C +ATOM 105 CZ3 TRP A 6 1.641 0.345 3.833 1.00 0.00 C +ATOM 106 CH2 TRP A 6 3.047 0.297 3.825 1.00 0.00 C +ATOM 107 H TRP A 6 -2.601 0.431 -1.402 1.00 0.00 H +ATOM 108 HA TRP A 6 -0.156 -0.955 -1.957 1.00 0.00 H +ATOM 109 HB2 TRP A 6 -0.221 1.379 -1.376 1.00 0.00 H +ATOM 110 HB3 TRP A 6 -0.886 1.043 0.211 1.00 0.00 H +ATOM 111 HD1 TRP A 6 2.343 0.604 -1.827 1.00 0.00 H +ATOM 112 HE1 TRP A 6 4.363 0.430 -0.184 1.00 0.00 H +ATOM 113 HE3 TRP A 6 -0.163 0.502 2.652 1.00 0.00 H +ATOM 114 HZ2 TRP A 6 4.818 0.270 2.567 1.00 0.00 H +ATOM 115 HZ3 TRP A 6 1.113 0.309 4.774 1.00 0.00 H +ATOM 116 HH2 TRP A 6 3.594 0.239 4.756 1.00 0.00 H +ATOM 117 N LEU A 7 -1.538 -1.844 0.927 1.00 0.00 N +ATOM 118 CA LEU A 7 -1.586 -2.971 1.862 1.00 0.00 C +ATOM 119 C LEU A 7 -1.803 -4.308 1.137 1.00 0.00 C +ATOM 120 O LEU A 7 -1.174 -5.298 1.515 1.00 0.00 O +ATOM 121 CB LEU A 7 -2.666 -2.743 2.930 1.00 0.00 C +ATOM 122 CG LEU A 7 -2.317 -1.692 4.002 1.00 0.00 C +ATOM 123 CD1 LEU A 7 -3.510 -1.571 4.957 1.00 0.00 C +ATOM 124 CD2 LEU A 7 -1.074 -2.069 4.817 1.00 0.00 C +ATOM 125 H LEU A 7 -2.228 -1.098 1.006 1.00 0.00 H +ATOM 126 HA LEU A 7 -0.615 -3.051 2.349 1.00 0.00 H +ATOM 127 HB2 LEU A 7 -3.562 -2.425 2.433 1.00 0.00 H +ATOM 128 HB3 LEU A 7 -2.847 -3.693 3.438 1.00 0.00 H +ATOM 129 HG LEU A 7 -2.144 -0.726 3.537 1.00 0.00 H +ATOM 130 HD11 LEU A 7 -4.393 -1.251 4.403 1.00 0.00 H +ATOM 131 HD12 LEU A 7 -3.709 -2.532 5.432 1.00 0.00 H +ATOM 132 HD13 LEU A 7 -3.298 -0.838 5.731 1.00 0.00 H +ATOM 133 HD21 LEU A 7 -1.167 -3.087 5.199 1.00 0.00 H +ATOM 134 HD22 LEU A 7 -0.183 -1.995 4.196 1.00 0.00 H +ATOM 135 HD23 LEU A 7 -0.956 -1.382 5.655 1.00 0.00 H +ATOM 136 N LYS A 8 -2.624 -4.342 0.073 1.00 0.00 N +ATOM 137 CA LYS A 8 -2.837 -5.530 -0.770 1.00 0.00 C +ATOM 138 C LYS A 8 -1.539 -6.072 -1.384 1.00 0.00 C +ATOM 139 O LYS A 8 -1.398 -7.286 -1.490 1.00 0.00 O +ATOM 140 CB LYS A 8 -3.851 -5.224 -1.892 1.00 0.00 C +ATOM 141 CG LYS A 8 -4.867 -6.357 -2.133 1.00 0.00 C +ATOM 142 CD LYS A 8 -6.241 -6.033 -1.528 1.00 0.00 C +ATOM 143 CE LYS A 8 -6.193 -5.982 0.004 1.00 0.00 C +ATOM 144 NZ LYS A 8 -7.398 -5.322 0.557 1.00 0.00 N +ATOM 145 H LYS A 8 -3.095 -3.479 -0.180 1.00 0.00 H +ATOM 146 HA LYS A 8 -3.224 -6.323 -0.132 1.00 0.00 H +ATOM 147 HB2 LYS A 8 -4.391 -4.335 -1.628 1.00 0.00 H +ATOM 148 HB3 LYS A 8 -3.307 -5.048 -2.822 1.00 0.00 H +ATOM 149 HG2 LYS A 8 -4.979 -6.503 -3.190 1.00 0.00 H +ATOM 150 HG3 LYS A 8 -4.495 -7.304 -1.740 1.00 0.00 H +ATOM 151 HD2 LYS A 8 -6.567 -5.079 -1.897 1.00 0.00 H +ATOM 152 HD3 LYS A 8 -6.954 -6.797 -1.840 1.00 0.00 H +ATOM 153 HE2 LYS A 8 -6.136 -6.983 0.386 1.00 0.00 H +ATOM 154 HE3 LYS A 8 -5.303 -5.427 0.313 1.00 0.00 H +ATOM 155 HZ1 LYS A 8 -7.411 -4.352 0.270 1.00 0.00 H +ATOM 156 HZ2 LYS A 8 -8.235 -5.778 0.219 1.00 0.00 H +ATOM 157 HZ3 LYS A 8 -7.387 -5.360 1.567 1.00 0.00 H +ATOM 158 N ASP A 9 -0.586 -5.196 -1.733 1.00 0.00 N +ATOM 159 CA ASP A 9 0.742 -5.596 -2.224 1.00 0.00 C +ATOM 160 C ASP A 9 1.596 -6.294 -1.144 1.00 0.00 C +ATOM 161 O ASP A 9 2.602 -6.919 -1.489 1.00 0.00 O +ATOM 162 CB ASP A 9 1.544 -4.384 -2.750 1.00 0.00 C +ATOM 163 CG ASP A 9 0.978 -3.644 -3.968 1.00 0.00 C +ATOM 164 OD1 ASP A 9 0.247 -4.280 -4.760 1.00 0.00 O +ATOM 165 OD2 ASP A 9 1.381 -2.472 -4.162 1.00 0.00 O +ATOM 166 H ASP A 9 -0.811 -4.209 -1.663 1.00 0.00 H +ATOM 167 HA ASP A 9 0.611 -6.302 -3.046 1.00 0.00 H +ATOM 168 HB2 ASP A 9 1.620 -3.675 -1.948 1.00 0.00 H +ATOM 169 HB3 ASP A 9 2.528 -4.743 -3.048 1.00 0.00 H +ATOM 170 N GLY A 10 1.242 -6.171 0.145 1.00 0.00 N +ATOM 171 CA GLY A 10 2.030 -6.642 1.290 1.00 0.00 C +ATOM 172 C GLY A 10 2.603 -5.520 2.168 1.00 0.00 C +ATOM 173 O GLY A 10 3.419 -5.803 3.047 1.00 0.00 O +ATOM 174 H GLY A 10 0.348 -5.733 0.351 1.00 0.00 H +ATOM 175 HA2 GLY A 10 1.391 -7.260 1.920 1.00 0.00 H +ATOM 176 HA3 GLY A 10 2.859 -7.262 0.950 1.00 0.00 H +ATOM 177 N GLY A 11 2.213 -4.255 1.949 1.00 0.00 N +ATOM 178 CA GLY A 11 2.700 -3.121 2.734 1.00 0.00 C +ATOM 179 C GLY A 11 4.238 -3.008 2.707 1.00 0.00 C +ATOM 180 O GLY A 11 4.830 -3.106 1.626 1.00 0.00 O +ATOM 181 H GLY A 11 1.566 -4.066 1.192 1.00 0.00 H +ATOM 182 HA2 GLY A 11 2.278 -2.203 2.330 1.00 0.00 H +ATOM 183 HA3 GLY A 11 2.340 -3.242 3.755 1.00 0.00 H +ATOM 184 N PRO A 12 4.916 -2.815 3.863 1.00 0.00 N +ATOM 185 CA PRO A 12 6.378 -2.719 3.922 1.00 0.00 C +ATOM 186 C PRO A 12 7.104 -3.938 3.329 1.00 0.00 C +ATOM 187 O PRO A 12 8.203 -3.799 2.793 1.00 0.00 O +ATOM 188 CB PRO A 12 6.739 -2.555 5.405 1.00 0.00 C +ATOM 189 CG PRO A 12 5.447 -2.080 6.062 1.00 0.00 C +ATOM 190 CD PRO A 12 4.360 -2.729 5.208 1.00 0.00 C +ATOM 191 HA PRO A 12 6.689 -1.827 3.377 1.00 0.00 H +ATOM 192 HB2 PRO A 12 7.056 -3.491 5.824 1.00 0.00 H +ATOM 193 HB3 PRO A 12 7.544 -1.832 5.542 1.00 0.00 H +ATOM 194 HG2 PRO A 12 5.388 -2.415 7.080 1.00 0.00 H +ATOM 195 HG3 PRO A 12 5.375 -0.995 5.986 1.00 0.00 H +ATOM 196 HD2 PRO A 12 4.126 -3.708 5.580 1.00 0.00 H +ATOM 197 HD3 PRO A 12 3.453 -2.129 5.244 1.00 0.00 H +ATOM 198 N SER A 13 6.487 -5.126 3.383 1.00 0.00 N +ATOM 199 CA SER A 13 7.062 -6.391 2.910 1.00 0.00 C +ATOM 200 C SER A 13 7.106 -6.523 1.380 1.00 0.00 C +ATOM 201 O SER A 13 7.528 -7.564 0.882 1.00 0.00 O +ATOM 202 CB SER A 13 6.294 -7.570 3.525 1.00 0.00 C +ATOM 203 OG SER A 13 6.273 -7.463 4.938 1.00 0.00 O +ATOM 204 H SER A 13 5.554 -5.180 3.780 1.00 0.00 H +ATOM 205 HA SER A 13 8.093 -6.447 3.259 1.00 0.00 H +ATOM 206 HB2 SER A 13 5.287 -7.567 3.155 1.00 0.00 H +ATOM 207 HB3 SER A 13 6.781 -8.506 3.247 1.00 0.00 H +ATOM 208 HG SER A 13 7.175 -7.487 5.266 1.00 0.00 H +ATOM 209 N SER A 14 6.699 -5.485 0.633 1.00 0.00 N +ATOM 210 CA SER A 14 6.610 -5.482 -0.834 1.00 0.00 C +ATOM 211 C SER A 14 7.584 -4.502 -1.514 1.00 0.00 C +ATOM 212 O SER A 14 7.442 -4.206 -2.702 1.00 0.00 O +ATOM 213 CB SER A 14 5.155 -5.226 -1.232 1.00 0.00 C +ATOM 214 OG SER A 14 4.800 -6.039 -2.327 1.00 0.00 O +ATOM 215 H SER A 14 6.332 -4.681 1.131 1.00 0.00 H +ATOM 216 HA SER A 14 6.872 -6.476 -1.198 1.00 0.00 H +ATOM 217 HB2 SER A 14 4.515 -5.452 -0.401 1.00 0.00 H +ATOM 218 HB3 SER A 14 4.998 -4.181 -1.482 1.00 0.00 H +ATOM 219 HG SER A 14 3.937 -6.470 -2.076 1.00 0.00 H +ATOM 220 N GLY A 15 8.565 -3.977 -0.761 1.00 0.00 N +ATOM 221 CA GLY A 15 9.672 -3.163 -1.282 1.00 0.00 C +ATOM 222 C GLY A 15 9.268 -1.785 -1.820 1.00 0.00 C +ATOM 223 O GLY A 15 9.964 -1.240 -2.674 1.00 0.00 O +ATOM 224 H GLY A 15 8.599 -4.262 0.210 1.00 0.00 H +ATOM 225 HA2 GLY A 15 10.403 -3.009 -0.487 1.00 0.00 H +ATOM 226 HA3 GLY A 15 10.168 -3.709 -2.087 1.00 0.00 H +ATOM 227 N ARG A 16 8.140 -1.233 -1.349 1.00 0.00 N +ATOM 228 CA ARG A 16 7.498 -0.025 -1.884 1.00 0.00 C +ATOM 229 C ARG A 16 6.929 0.860 -0.758 1.00 0.00 C +ATOM 230 O ARG A 16 6.271 0.329 0.139 1.00 0.00 O +ATOM 231 CB ARG A 16 6.407 -0.441 -2.895 1.00 0.00 C +ATOM 232 CG ARG A 16 5.361 -1.404 -2.301 1.00 0.00 C +ATOM 233 CD ARG A 16 4.279 -1.827 -3.291 1.00 0.00 C +ATOM 234 NE ARG A 16 4.779 -2.819 -4.260 1.00 0.00 N +ATOM 235 CZ ARG A 16 4.349 -2.952 -5.509 1.00 0.00 C +ATOM 236 NH1 ARG A 16 3.327 -2.269 -5.969 1.00 0.00 N +ATOM 237 NH2 ARG A 16 4.939 -3.800 -6.319 1.00 0.00 N +ATOM 238 H ARG A 16 7.655 -1.742 -0.622 1.00 0.00 H +ATOM 239 HA ARG A 16 8.255 0.540 -2.429 1.00 0.00 H +ATOM 240 HB2 ARG A 16 5.902 0.443 -3.234 1.00 0.00 H +ATOM 241 HB3 ARG A 16 6.890 -0.927 -3.745 1.00 0.00 H +ATOM 242 HG2 ARG A 16 5.869 -2.285 -1.958 1.00 0.00 H +ATOM 243 HG3 ARG A 16 4.860 -0.926 -1.472 1.00 0.00 H +ATOM 244 HD2 ARG A 16 3.459 -2.256 -2.747 1.00 0.00 H +ATOM 245 HD3 ARG A 16 3.903 -0.939 -3.800 1.00 0.00 H +ATOM 246 HE ARG A 16 5.524 -3.428 -3.947 1.00 0.00 H +ATOM 247 HH11 ARG A 16 2.617 -2.056 -5.244 1.00 0.00 H +ATOM 248 HH12 ARG A 16 3.019 -2.337 -6.918 1.00 0.00 H +ATOM 249 HH21 ARG A 16 5.659 -4.401 -5.958 1.00 0.00 H +ATOM 250 HH22 ARG A 16 4.587 -3.922 -7.250 1.00 0.00 H +ATOM 251 N PRO A 17 7.128 2.192 -0.787 1.00 0.00 N +ATOM 252 CA PRO A 17 6.585 3.097 0.228 1.00 0.00 C +ATOM 253 C PRO A 17 5.060 3.276 0.076 1.00 0.00 C +ATOM 254 O PRO A 17 4.523 3.016 -1.003 1.00 0.00 O +ATOM 255 CB PRO A 17 7.327 4.419 0.005 1.00 0.00 C +ATOM 256 CG PRO A 17 7.594 4.418 -1.499 1.00 0.00 C +ATOM 257 CD PRO A 17 7.848 2.945 -1.807 1.00 0.00 C +ATOM 258 HA PRO A 17 6.811 2.711 1.221 1.00 0.00 H +ATOM 259 HB2 PRO A 17 6.717 5.255 0.287 1.00 0.00 H +ATOM 260 HB3 PRO A 17 8.275 4.397 0.543 1.00 0.00 H +ATOM 261 HG2 PRO A 17 6.743 4.783 -2.041 1.00 0.00 H +ATOM 262 HG3 PRO A 17 8.452 5.039 -1.758 1.00 0.00 H +ATOM 263 HD2 PRO A 17 7.478 2.699 -2.783 1.00 0.00 H +ATOM 264 HD3 PRO A 17 8.915 2.731 -1.732 1.00 0.00 H +ATOM 265 N PRO A 18 4.352 3.730 1.131 1.00 0.00 N +ATOM 266 CA PRO A 18 2.910 3.955 1.082 1.00 0.00 C +ATOM 267 C PRO A 18 2.524 5.163 0.203 1.00 0.00 C +ATOM 268 O PRO A 18 3.330 6.074 0.016 1.00 0.00 O +ATOM 269 CB PRO A 18 2.481 4.156 2.540 1.00 0.00 C +ATOM 270 CG PRO A 18 3.734 4.715 3.207 1.00 0.00 C +ATOM 271 CD PRO A 18 4.864 4.002 2.467 1.00 0.00 C +ATOM 272 HA PRO A 18 2.431 3.060 0.690 1.00 0.00 H +ATOM 273 HB2 PRO A 18 1.667 4.852 2.608 1.00 0.00 H +ATOM 274 HB3 PRO A 18 2.235 3.190 2.981 1.00 0.00 H +ATOM 275 HG2 PRO A 18 3.798 5.778 3.077 1.00 0.00 H +ATOM 276 HG3 PRO A 18 3.753 4.504 4.277 1.00 0.00 H +ATOM 277 HD2 PRO A 18 5.732 4.631 2.414 1.00 0.00 H +ATOM 278 HD3 PRO A 18 5.090 3.058 2.966 1.00 0.00 H +ATOM 279 N PRO A 19 1.275 5.206 -0.306 1.00 0.00 N +ATOM 280 CA PRO A 19 0.771 6.284 -1.164 1.00 0.00 C +ATOM 281 C PRO A 19 0.330 7.537 -0.389 1.00 0.00 C +ATOM 282 O PRO A 19 0.160 8.598 -0.988 1.00 0.00 O +ATOM 283 CB PRO A 19 -0.429 5.664 -1.889 1.00 0.00 C +ATOM 284 CG PRO A 19 -0.979 4.669 -0.864 1.00 0.00 C +ATOM 285 CD PRO A 19 0.284 4.149 -0.189 1.00 0.00 C +ATOM 286 HA PRO A 19 1.528 6.574 -1.894 1.00 0.00 H +ATOM 287 HB2 PRO A 19 -1.160 6.411 -2.131 1.00 0.00 H +ATOM 288 HB3 PRO A 19 -0.083 5.121 -2.771 1.00 0.00 H +ATOM 289 HG2 PRO A 19 -1.622 5.157 -0.157 1.00 0.00 H +ATOM 290 HG3 PRO A 19 -1.531 3.860 -1.339 1.00 0.00 H +ATOM 291 HD2 PRO A 19 0.091 3.933 0.844 1.00 0.00 H +ATOM 292 HD3 PRO A 19 0.650 3.279 -0.729 1.00 0.00 H +ATOM 293 N SER A 20 0.116 7.403 0.925 1.00 0.00 N +ATOM 294 CA SER A 20 -0.336 8.429 1.868 1.00 0.00 C +ATOM 295 C SER A 20 0.288 8.158 3.235 1.00 0.00 C +ATOM 296 O SER A 20 1.091 8.990 3.697 1.00 0.00 O +ATOM 297 CB SER A 20 -1.868 8.401 1.974 1.00 0.00 C +ATOM 298 OG SER A 20 -2.214 7.177 2.590 1.00 0.00 O +ATOM 299 OXT SER A 20 -0.112 7.093 3.776 1.00 0.00 O +ATOM 300 H SER A 20 0.272 6.489 1.323 1.00 0.00 H +ATOM 301 HA SER A 20 -0.007 9.414 1.535 1.00 0.00 H +ATOM 302 HB2 SER A 20 -2.212 9.224 2.570 1.00 0.00 H +ATOM 303 HB3 SER A 20 -2.324 8.479 0.986 1.00 0.00 H +ATOM 304 HG SER A 20 -1.394 7.015 3.184 1.00 0.00 H +TER 305 SER A 20 +ENDMDL +MODEL 28 +ATOM 1 N ASN A 1 -4.637 8.314 0.281 1.00 0.00 N +ATOM 2 CA ASN A 1 -5.414 7.451 -0.654 1.00 0.00 C +ATOM 3 C ASN A 1 -4.552 6.258 -1.103 1.00 0.00 C +ATOM 4 O ASN A 1 -3.410 6.182 -0.671 1.00 0.00 O +ATOM 5 CB ASN A 1 -5.986 8.274 -1.830 1.00 0.00 C +ATOM 6 CG ASN A 1 -7.060 7.510 -2.606 1.00 0.00 C +ATOM 7 OD1 ASN A 1 -7.598 6.525 -2.122 1.00 0.00 O +ATOM 8 ND2 ASN A 1 -7.361 7.888 -3.833 1.00 0.00 N +ATOM 9 H1 ASN A 1 -4.274 7.750 1.038 1.00 0.00 H +ATOM 10 H2 ASN A 1 -3.845 8.730 -0.193 1.00 0.00 H +ATOM 11 H3 ASN A 1 -5.220 9.048 0.659 1.00 0.00 H +ATOM 12 HA ASN A 1 -6.264 7.034 -0.107 1.00 0.00 H +ATOM 13 HB2 ASN A 1 -6.417 9.177 -1.442 1.00 0.00 H +ATOM 14 HB3 ASN A 1 -5.178 8.555 -2.505 1.00 0.00 H +ATOM 15 HD21 ASN A 1 -6.930 8.673 -4.294 1.00 0.00 H +ATOM 16 HD22 ASN A 1 -8.069 7.331 -4.288 1.00 0.00 H +ATOM 17 N LEU A 2 -5.081 5.309 -1.895 1.00 0.00 N +ATOM 18 CA LEU A 2 -4.421 4.095 -2.428 1.00 0.00 C +ATOM 19 C LEU A 2 -3.907 3.086 -1.373 1.00 0.00 C +ATOM 20 O LEU A 2 -3.438 2.004 -1.727 1.00 0.00 O +ATOM 21 CB LEU A 2 -3.323 4.462 -3.461 1.00 0.00 C +ATOM 22 CG LEU A 2 -3.852 4.852 -4.858 1.00 0.00 C +ATOM 23 CD1 LEU A 2 -4.240 6.330 -4.955 1.00 0.00 C +ATOM 24 CD2 LEU A 2 -2.790 4.587 -5.929 1.00 0.00 C +ATOM 25 H LEU A 2 -6.060 5.437 -2.149 1.00 0.00 H +ATOM 26 HA LEU A 2 -5.183 3.538 -2.975 1.00 0.00 H +ATOM 27 HB2 LEU A 2 -2.763 5.291 -3.073 1.00 0.00 H +ATOM 28 HB3 LEU A 2 -2.689 3.583 -3.592 1.00 0.00 H +ATOM 29 HG LEU A 2 -4.724 4.242 -5.093 1.00 0.00 H +ATOM 30 HD11 LEU A 2 -5.010 6.557 -4.229 1.00 0.00 H +ATOM 31 HD12 LEU A 2 -3.370 6.961 -4.774 1.00 0.00 H +ATOM 32 HD13 LEU A 2 -4.633 6.540 -5.950 1.00 0.00 H +ATOM 33 HD21 LEU A 2 -1.903 5.190 -5.739 1.00 0.00 H +ATOM 34 HD22 LEU A 2 -2.517 3.530 -5.926 1.00 0.00 H +ATOM 35 HD23 LEU A 2 -3.189 4.833 -6.912 1.00 0.00 H +ATOM 36 N TYR A 3 -4.044 3.394 -0.080 1.00 0.00 N +ATOM 37 CA TYR A 3 -3.489 2.632 1.037 1.00 0.00 C +ATOM 38 C TYR A 3 -3.961 1.172 1.078 1.00 0.00 C +ATOM 39 O TYR A 3 -3.161 0.277 1.338 1.00 0.00 O +ATOM 40 CB TYR A 3 -3.815 3.362 2.349 1.00 0.00 C +ATOM 41 CG TYR A 3 -2.670 3.331 3.335 1.00 0.00 C +ATOM 42 CD1 TYR A 3 -2.480 2.213 4.167 1.00 0.00 C +ATOM 43 CD2 TYR A 3 -1.776 4.416 3.400 1.00 0.00 C +ATOM 44 CE1 TYR A 3 -1.407 2.188 5.077 1.00 0.00 C +ATOM 45 CE2 TYR A 3 -0.707 4.403 4.312 1.00 0.00 C +ATOM 46 CZ TYR A 3 -0.523 3.285 5.158 1.00 0.00 C +ATOM 47 OH TYR A 3 0.472 3.267 6.085 1.00 0.00 O +ATOM 48 H TYR A 3 -4.369 4.327 0.113 1.00 0.00 H +ATOM 49 HA TYR A 3 -2.405 2.622 0.917 1.00 0.00 H +ATOM 50 HB2 TYR A 3 -4.046 4.385 2.124 1.00 0.00 H +ATOM 51 HB3 TYR A 3 -4.703 2.925 2.808 1.00 0.00 H +ATOM 52 HD1 TYR A 3 -3.164 1.380 4.111 1.00 0.00 H +ATOM 53 HD2 TYR A 3 -1.914 5.270 2.750 1.00 0.00 H +ATOM 54 HE1 TYR A 3 -1.257 1.345 5.732 1.00 0.00 H +ATOM 55 HE2 TYR A 3 -0.031 5.245 4.351 1.00 0.00 H +ATOM 56 HH TYR A 3 0.616 4.135 6.463 1.00 0.00 H +ATOM 57 N ILE A 4 -5.240 0.915 0.764 1.00 0.00 N +ATOM 58 CA ILE A 4 -5.800 -0.440 0.662 1.00 0.00 C +ATOM 59 C ILE A 4 -5.054 -1.256 -0.409 1.00 0.00 C +ATOM 60 O ILE A 4 -4.725 -2.421 -0.194 1.00 0.00 O +ATOM 61 CB ILE A 4 -7.321 -0.381 0.365 1.00 0.00 C +ATOM 62 CG1 ILE A 4 -8.099 0.508 1.368 1.00 0.00 C +ATOM 63 CG2 ILE A 4 -7.932 -1.793 0.371 1.00 0.00 C +ATOM 64 CD1 ILE A 4 -8.620 1.792 0.710 1.00 0.00 C +ATOM 65 H ILE A 4 -5.837 1.705 0.575 1.00 0.00 H +ATOM 66 HA ILE A 4 -5.656 -0.946 1.618 1.00 0.00 H +ATOM 67 HB ILE A 4 -7.455 0.022 -0.641 1.00 0.00 H +ATOM 68 HG12 ILE A 4 -8.933 -0.049 1.751 1.00 0.00 H +ATOM 69 HG13 ILE A 4 -7.469 0.772 2.219 1.00 0.00 H +ATOM 70 HG21 ILE A 4 -7.495 -2.396 -0.421 1.00 0.00 H +ATOM 71 HG22 ILE A 4 -7.751 -2.278 1.331 1.00 0.00 H +ATOM 72 HG23 ILE A 4 -9.007 -1.735 0.196 1.00 0.00 H +ATOM 73 HD11 ILE A 4 -7.790 2.390 0.335 1.00 0.00 H +ATOM 74 HD12 ILE A 4 -9.288 1.538 -0.114 1.00 0.00 H +ATOM 75 HD13 ILE A 4 -9.178 2.375 1.445 1.00 0.00 H +ATOM 76 N GLN A 5 -4.758 -0.632 -1.557 1.00 0.00 N +ATOM 77 CA GLN A 5 -4.009 -1.246 -2.650 1.00 0.00 C +ATOM 78 C GLN A 5 -2.556 -1.532 -2.257 1.00 0.00 C +ATOM 79 O GLN A 5 -2.056 -2.621 -2.522 1.00 0.00 O +ATOM 80 CB GLN A 5 -4.126 -0.385 -3.921 1.00 0.00 C +ATOM 81 CG GLN A 5 -4.525 -1.255 -5.121 1.00 0.00 C +ATOM 82 CD GLN A 5 -4.816 -0.407 -6.354 1.00 0.00 C +ATOM 83 OE1 GLN A 5 -5.867 0.201 -6.470 1.00 0.00 O +ATOM 84 NE2 GLN A 5 -3.916 -0.347 -7.314 1.00 0.00 N +ATOM 85 H GLN A 5 -4.955 0.358 -1.625 1.00 0.00 H +ATOM 86 HA GLN A 5 -4.460 -2.209 -2.849 1.00 0.00 H +ATOM 87 HB2 GLN A 5 -4.872 0.371 -3.769 1.00 0.00 H +ATOM 88 HB3 GLN A 5 -3.180 0.117 -4.130 1.00 0.00 H +ATOM 89 HG2 GLN A 5 -3.722 -1.931 -5.344 1.00 0.00 H +ATOM 90 HG3 GLN A 5 -5.434 -1.805 -4.876 1.00 0.00 H +ATOM 91 HE21 GLN A 5 -3.043 -0.844 -7.271 1.00 0.00 H +ATOM 92 HE22 GLN A 5 -4.190 0.218 -8.099 1.00 0.00 H +ATOM 93 N TRP A 6 -1.905 -0.591 -1.563 1.00 0.00 N +ATOM 94 CA TRP A 6 -0.573 -0.794 -0.989 1.00 0.00 C +ATOM 95 C TRP A 6 -0.539 -1.937 0.047 1.00 0.00 C +ATOM 96 O TRP A 6 0.365 -2.772 0.016 1.00 0.00 O +ATOM 97 CB TRP A 6 -0.090 0.537 -0.404 1.00 0.00 C +ATOM 98 CG TRP A 6 1.273 0.496 0.209 1.00 0.00 C +ATOM 99 CD1 TRP A 6 2.441 0.483 -0.473 1.00 0.00 C +ATOM 100 CD2 TRP A 6 1.630 0.425 1.623 1.00 0.00 C +ATOM 101 NE1 TRP A 6 3.492 0.396 0.418 1.00 0.00 N +ATOM 102 CE2 TRP A 6 3.053 0.371 1.722 1.00 0.00 C +ATOM 103 CE3 TRP A 6 0.899 0.398 2.830 1.00 0.00 C +ATOM 104 CZ2 TRP A 6 3.719 0.302 2.954 1.00 0.00 C +ATOM 105 CZ3 TRP A 6 1.557 0.314 4.072 1.00 0.00 C +ATOM 106 CH2 TRP A 6 2.961 0.267 4.137 1.00 0.00 C +ATOM 107 H TRP A 6 -2.385 0.292 -1.412 1.00 0.00 H +ATOM 108 HA TRP A 6 0.108 -1.080 -1.790 1.00 0.00 H +ATOM 109 HB2 TRP A 6 -0.079 1.264 -1.193 1.00 0.00 H +ATOM 110 HB3 TRP A 6 -0.793 0.874 0.356 1.00 0.00 H +ATOM 111 HD1 TRP A 6 2.536 0.516 -1.550 1.00 0.00 H +ATOM 112 HE1 TRP A 6 4.475 0.350 0.133 1.00 0.00 H +ATOM 113 HE3 TRP A 6 -0.179 0.447 2.791 1.00 0.00 H +ATOM 114 HZ2 TRP A 6 4.797 0.257 2.979 1.00 0.00 H +ATOM 115 HZ3 TRP A 6 0.979 0.296 4.987 1.00 0.00 H +ATOM 116 HH2 TRP A 6 3.455 0.210 5.097 1.00 0.00 H +ATOM 117 N LEU A 7 -1.539 -2.023 0.936 1.00 0.00 N +ATOM 118 CA LEU A 7 -1.647 -3.114 1.911 1.00 0.00 C +ATOM 119 C LEU A 7 -1.880 -4.491 1.263 1.00 0.00 C +ATOM 120 O LEU A 7 -1.299 -5.464 1.739 1.00 0.00 O +ATOM 121 CB LEU A 7 -2.744 -2.801 2.945 1.00 0.00 C +ATOM 122 CG LEU A 7 -2.387 -1.679 3.942 1.00 0.00 C +ATOM 123 CD1 LEU A 7 -3.618 -1.346 4.787 1.00 0.00 C +ATOM 124 CD2 LEU A 7 -1.248 -2.065 4.893 1.00 0.00 C +ATOM 125 H LEU A 7 -2.229 -1.275 0.955 1.00 0.00 H +ATOM 126 HA LEU A 7 -0.693 -3.194 2.432 1.00 0.00 H +ATOM 127 HB2 LEU A 7 -3.630 -2.508 2.415 1.00 0.00 H +ATOM 128 HB3 LEU A 7 -2.953 -3.706 3.517 1.00 0.00 H +ATOM 129 HG LEU A 7 -2.088 -0.784 3.401 1.00 0.00 H +ATOM 130 HD11 LEU A 7 -4.425 -0.996 4.140 1.00 0.00 H +ATOM 131 HD12 LEU A 7 -3.951 -2.230 5.330 1.00 0.00 H +ATOM 132 HD13 LEU A 7 -3.378 -0.561 5.504 1.00 0.00 H +ATOM 133 HD21 LEU A 7 -1.499 -2.980 5.429 1.00 0.00 H +ATOM 134 HD22 LEU A 7 -0.325 -2.214 4.336 1.00 0.00 H +ATOM 135 HD23 LEU A 7 -1.082 -1.265 5.612 1.00 0.00 H +ATOM 136 N LYS A 8 -2.664 -4.593 0.174 1.00 0.00 N +ATOM 137 CA LYS A 8 -2.892 -5.859 -0.562 1.00 0.00 C +ATOM 138 C LYS A 8 -1.591 -6.528 -1.022 1.00 0.00 C +ATOM 139 O LYS A 8 -1.477 -7.746 -0.936 1.00 0.00 O +ATOM 140 CB LYS A 8 -3.818 -5.628 -1.769 1.00 0.00 C +ATOM 141 CG LYS A 8 -5.295 -5.486 -1.357 1.00 0.00 C +ATOM 142 CD LYS A 8 -6.116 -4.646 -2.351 1.00 0.00 C +ATOM 143 CE LYS A 8 -6.882 -5.452 -3.401 1.00 0.00 C +ATOM 144 NZ LYS A 8 -7.477 -4.544 -4.411 1.00 0.00 N +ATOM 145 H LYS A 8 -3.145 -3.750 -0.132 1.00 0.00 H +ATOM 146 HA LYS A 8 -3.367 -6.574 0.111 1.00 0.00 H +ATOM 147 HB2 LYS A 8 -3.512 -4.730 -2.271 1.00 0.00 H +ATOM 148 HB3 LYS A 8 -3.736 -6.467 -2.462 1.00 0.00 H +ATOM 149 HG2 LYS A 8 -5.729 -6.465 -1.296 1.00 0.00 H +ATOM 150 HG3 LYS A 8 -5.344 -4.993 -0.387 1.00 0.00 H +ATOM 151 HD2 LYS A 8 -6.826 -4.068 -1.791 1.00 0.00 H +ATOM 152 HD3 LYS A 8 -5.454 -3.961 -2.867 1.00 0.00 H +ATOM 153 HE2 LYS A 8 -6.208 -6.131 -3.888 1.00 0.00 H +ATOM 154 HE3 LYS A 8 -7.667 -6.022 -2.896 1.00 0.00 H +ATOM 155 HZ1 LYS A 8 -8.054 -3.846 -3.961 1.00 0.00 H +ATOM 156 HZ2 LYS A 8 -6.746 -4.071 -4.926 1.00 0.00 H +ATOM 157 HZ3 LYS A 8 -8.047 -5.062 -5.068 1.00 0.00 H +ATOM 158 N ASP A 9 -0.606 -5.739 -1.457 1.00 0.00 N +ATOM 159 CA ASP A 9 0.739 -6.198 -1.825 1.00 0.00 C +ATOM 160 C ASP A 9 1.651 -6.499 -0.611 1.00 0.00 C +ATOM 161 O ASP A 9 2.838 -6.780 -0.797 1.00 0.00 O +ATOM 162 CB ASP A 9 1.370 -5.155 -2.771 1.00 0.00 C +ATOM 163 CG ASP A 9 1.177 -5.531 -4.240 1.00 0.00 C +ATOM 164 OD1 ASP A 9 0.135 -5.136 -4.811 1.00 0.00 O +ATOM 165 OD2 ASP A 9 2.077 -6.215 -4.775 1.00 0.00 O +ATOM 166 H ASP A 9 -0.801 -4.748 -1.533 1.00 0.00 H +ATOM 167 HA ASP A 9 0.652 -7.136 -2.376 1.00 0.00 H +ATOM 168 HB2 ASP A 9 0.911 -4.202 -2.593 1.00 0.00 H +ATOM 169 HB3 ASP A 9 2.441 -5.088 -2.597 1.00 0.00 H +ATOM 170 N GLY A 10 1.167 -6.398 0.637 1.00 0.00 N +ATOM 171 CA GLY A 10 1.944 -6.694 1.851 1.00 0.00 C +ATOM 172 C GLY A 10 2.520 -5.474 2.584 1.00 0.00 C +ATOM 173 O GLY A 10 3.356 -5.650 3.475 1.00 0.00 O +ATOM 174 H GLY A 10 0.189 -6.147 0.762 1.00 0.00 H +ATOM 175 HA2 GLY A 10 1.294 -7.220 2.549 1.00 0.00 H +ATOM 176 HA3 GLY A 10 2.770 -7.362 1.607 1.00 0.00 H +ATOM 177 N GLY A 11 2.100 -4.254 2.229 1.00 0.00 N +ATOM 178 CA GLY A 11 2.528 -2.992 2.832 1.00 0.00 C +ATOM 179 C GLY A 11 4.060 -2.837 2.922 1.00 0.00 C +ATOM 180 O GLY A 11 4.712 -2.686 1.888 1.00 0.00 O +ATOM 181 H GLY A 11 1.508 -4.184 1.407 1.00 0.00 H +ATOM 182 HA2 GLY A 11 2.150 -2.182 2.211 1.00 0.00 H +ATOM 183 HA3 GLY A 11 2.067 -2.896 3.812 1.00 0.00 H +ATOM 184 N PRO A 12 4.678 -2.872 4.125 1.00 0.00 N +ATOM 185 CA PRO A 12 6.137 -2.792 4.262 1.00 0.00 C +ATOM 186 C PRO A 12 6.903 -3.861 3.466 1.00 0.00 C +ATOM 187 O PRO A 12 8.043 -3.629 3.069 1.00 0.00 O +ATOM 188 CB PRO A 12 6.429 -2.936 5.761 1.00 0.00 C +ATOM 189 CG PRO A 12 5.120 -2.531 6.433 1.00 0.00 C +ATOM 190 CD PRO A 12 4.058 -2.991 5.436 1.00 0.00 C +ATOM 191 HA PRO A 12 6.463 -1.808 3.926 1.00 0.00 H +ATOM 192 HB2 PRO A 12 6.685 -3.949 6.004 1.00 0.00 H +ATOM 193 HB3 PRO A 12 7.254 -2.292 6.069 1.00 0.00 H +ATOM 194 HG2 PRO A 12 5.002 -3.028 7.377 1.00 0.00 H +ATOM 195 HG3 PRO A 12 5.080 -1.447 6.534 1.00 0.00 H +ATOM 196 HD2 PRO A 12 3.779 -4.009 5.628 1.00 0.00 H +ATOM 197 HD3 PRO A 12 3.172 -2.363 5.530 1.00 0.00 H +ATOM 198 N SER A 13 6.278 -5.017 3.209 1.00 0.00 N +ATOM 199 CA SER A 13 6.884 -6.142 2.489 1.00 0.00 C +ATOM 200 C SER A 13 6.737 -6.043 0.960 1.00 0.00 C +ATOM 201 O SER A 13 7.147 -6.960 0.254 1.00 0.00 O +ATOM 202 CB SER A 13 6.306 -7.461 3.021 1.00 0.00 C +ATOM 203 OG SER A 13 6.621 -7.599 4.395 1.00 0.00 O +ATOM 204 H SER A 13 5.320 -5.131 3.531 1.00 0.00 H +ATOM 205 HA SER A 13 7.953 -6.155 2.698 1.00 0.00 H +ATOM 206 HB2 SER A 13 5.240 -7.459 2.898 1.00 0.00 H +ATOM 207 HB3 SER A 13 6.742 -8.301 2.479 1.00 0.00 H +ATOM 208 HG SER A 13 5.808 -7.714 4.892 1.00 0.00 H +ATOM 209 N SER A 14 6.176 -4.942 0.434 1.00 0.00 N +ATOM 210 CA SER A 14 5.884 -4.748 -0.996 1.00 0.00 C +ATOM 211 C SER A 14 7.004 -4.076 -1.802 1.00 0.00 C +ATOM 212 O SER A 14 6.860 -3.890 -3.006 1.00 0.00 O +ATOM 213 CB SER A 14 4.636 -3.874 -1.140 1.00 0.00 C +ATOM 214 OG SER A 14 3.598 -4.383 -0.343 1.00 0.00 O +ATOM 215 H SER A 14 5.795 -4.245 1.069 1.00 0.00 H +ATOM 216 HA SER A 14 5.675 -5.716 -1.456 1.00 0.00 H +ATOM 217 HB2 SER A 14 4.865 -2.873 -0.828 1.00 0.00 H +ATOM 218 HB3 SER A 14 4.320 -3.854 -2.182 1.00 0.00 H +ATOM 219 HG SER A 14 3.437 -5.331 -0.578 1.00 0.00 H +ATOM 220 N GLY A 15 8.091 -3.636 -1.156 1.00 0.00 N +ATOM 221 CA GLY A 15 9.222 -2.961 -1.807 1.00 0.00 C +ATOM 222 C GLY A 15 8.979 -1.499 -2.225 1.00 0.00 C +ATOM 223 O GLY A 15 9.937 -0.811 -2.570 1.00 0.00 O +ATOM 224 H GLY A 15 8.136 -3.819 -0.163 1.00 0.00 H +ATOM 225 HA2 GLY A 15 10.080 -2.981 -1.136 1.00 0.00 H +ATOM 226 HA3 GLY A 15 9.494 -3.517 -2.706 1.00 0.00 H +ATOM 227 N ARG A 16 7.733 -1.005 -2.166 1.00 0.00 N +ATOM 228 CA ARG A 16 7.340 0.378 -2.469 1.00 0.00 C +ATOM 229 C ARG A 16 6.864 1.090 -1.189 1.00 0.00 C +ATOM 230 O ARG A 16 6.138 0.469 -0.408 1.00 0.00 O +ATOM 231 CB ARG A 16 6.242 0.351 -3.552 1.00 0.00 C +ATOM 232 CG ARG A 16 5.909 1.749 -4.102 1.00 0.00 C +ATOM 233 CD ARG A 16 4.828 1.696 -5.186 1.00 0.00 C +ATOM 234 NE ARG A 16 4.677 3.011 -5.838 1.00 0.00 N +ATOM 235 CZ ARG A 16 4.080 3.264 -6.997 1.00 0.00 C +ATOM 236 NH1 ARG A 16 3.453 2.326 -7.670 1.00 0.00 N +ATOM 237 NH2 ARG A 16 4.108 4.474 -7.504 1.00 0.00 N +ATOM 238 H ARG A 16 7.011 -1.654 -1.889 1.00 0.00 H +ATOM 239 HA ARG A 16 8.211 0.896 -2.870 1.00 0.00 H +ATOM 240 HB2 ARG A 16 6.577 -0.266 -4.364 1.00 0.00 H +ATOM 241 HB3 ARG A 16 5.337 -0.100 -3.141 1.00 0.00 H +ATOM 242 HG2 ARG A 16 5.561 2.365 -3.295 1.00 0.00 H +ATOM 243 HG3 ARG A 16 6.814 2.176 -4.534 1.00 0.00 H +ATOM 244 HD2 ARG A 16 5.104 0.967 -5.923 1.00 0.00 H +ATOM 245 HD3 ARG A 16 3.881 1.398 -4.732 1.00 0.00 H +ATOM 246 HE ARG A 16 5.099 3.795 -5.368 1.00 0.00 H +ATOM 247 HH11 ARG A 16 3.423 1.404 -7.274 1.00 0.00 H +ATOM 248 HH12 ARG A 16 3.006 2.520 -8.548 1.00 0.00 H +ATOM 249 HH21 ARG A 16 4.586 5.218 -7.026 1.00 0.00 H +ATOM 250 HH22 ARG A 16 3.669 4.656 -8.390 1.00 0.00 H +ATOM 251 N PRO A 17 7.209 2.375 -0.963 1.00 0.00 N +ATOM 252 CA PRO A 17 6.738 3.134 0.201 1.00 0.00 C +ATOM 253 C PRO A 17 5.208 3.346 0.203 1.00 0.00 C +ATOM 254 O PRO A 17 4.576 3.259 -0.855 1.00 0.00 O +ATOM 255 CB PRO A 17 7.490 4.471 0.149 1.00 0.00 C +ATOM 256 CG PRO A 17 7.846 4.634 -1.326 1.00 0.00 C +ATOM 257 CD PRO A 17 8.110 3.196 -1.761 1.00 0.00 C +ATOM 258 HA PRO A 17 7.021 2.596 1.106 1.00 0.00 H +ATOM 259 HB2 PRO A 17 6.862 5.275 0.482 1.00 0.00 H +ATOM 260 HB3 PRO A 17 8.407 4.394 0.736 1.00 0.00 H +ATOM 261 HG2 PRO A 17 7.031 5.063 -1.877 1.00 0.00 H +ATOM 262 HG3 PRO A 17 8.720 5.268 -1.469 1.00 0.00 H +ATOM 263 HD2 PRO A 17 7.900 3.076 -2.806 1.00 0.00 H +ATOM 264 HD3 PRO A 17 9.141 2.925 -1.531 1.00 0.00 H +ATOM 265 N PRO A 18 4.607 3.648 1.372 1.00 0.00 N +ATOM 266 CA PRO A 18 3.168 3.868 1.495 1.00 0.00 C +ATOM 267 C PRO A 18 2.728 5.176 0.813 1.00 0.00 C +ATOM 268 O PRO A 18 3.421 6.189 0.932 1.00 0.00 O +ATOM 269 CB PRO A 18 2.880 3.905 2.999 1.00 0.00 C +ATOM 270 CG PRO A 18 4.202 4.357 3.615 1.00 0.00 C +ATOM 271 CD PRO A 18 5.252 3.767 2.674 1.00 0.00 C +ATOM 272 HA PRO A 18 2.650 3.021 1.056 1.00 0.00 H +ATOM 273 HB2 PRO A 18 2.097 4.604 3.221 1.00 0.00 H +ATOM 274 HB3 PRO A 18 2.640 2.905 3.351 1.00 0.00 H +ATOM 275 HG2 PRO A 18 4.268 5.428 3.640 1.00 0.00 H +ATOM 276 HG3 PRO A 18 4.322 3.987 4.633 1.00 0.00 H +ATOM 277 HD2 PRO A 18 6.103 4.418 2.610 1.00 0.00 H +ATOM 278 HD3 PRO A 18 5.544 2.776 3.024 1.00 0.00 H +ATOM 279 N PRO A 19 1.566 5.189 0.135 1.00 0.00 N +ATOM 280 CA PRO A 19 0.986 6.406 -0.419 1.00 0.00 C +ATOM 281 C PRO A 19 0.340 7.243 0.694 1.00 0.00 C +ATOM 282 O PRO A 19 -0.310 6.698 1.588 1.00 0.00 O +ATOM 283 CB PRO A 19 -0.045 5.908 -1.435 1.00 0.00 C +ATOM 284 CG PRO A 19 -0.542 4.596 -0.823 1.00 0.00 C +ATOM 285 CD PRO A 19 0.688 4.050 -0.100 1.00 0.00 C +ATOM 286 HA PRO A 19 1.751 6.996 -0.927 1.00 0.00 H +ATOM 287 HB2 PRO A 19 -0.849 6.611 -1.542 1.00 0.00 H +ATOM 288 HB3 PRO A 19 0.455 5.698 -2.382 1.00 0.00 H +ATOM 289 HG2 PRO A 19 -1.344 4.774 -0.133 1.00 0.00 H +ATOM 290 HG3 PRO A 19 -0.898 3.904 -1.584 1.00 0.00 H +ATOM 291 HD2 PRO A 19 0.402 3.603 0.833 1.00 0.00 H +ATOM 292 HD3 PRO A 19 1.199 3.327 -0.734 1.00 0.00 H +ATOM 293 N SER A 20 0.480 8.571 0.624 1.00 0.00 N +ATOM 294 CA SER A 20 -0.125 9.511 1.572 1.00 0.00 C +ATOM 295 C SER A 20 -0.770 10.671 0.820 1.00 0.00 C +ATOM 296 O SER A 20 -2.016 10.756 0.905 1.00 0.00 O +ATOM 297 CB SER A 20 0.919 9.961 2.597 1.00 0.00 C +ATOM 298 OG SER A 20 0.248 10.488 3.720 1.00 0.00 O +ATOM 299 OXT SER A 20 -0.011 11.405 0.152 1.00 0.00 O +ATOM 300 H SER A 20 1.013 8.983 -0.129 1.00 0.00 H +ATOM 301 HA SER A 20 -0.928 9.009 2.110 1.00 0.00 H +ATOM 302 HB2 SER A 20 1.519 9.122 2.895 1.00 0.00 H +ATOM 303 HB3 SER A 20 1.582 10.712 2.159 1.00 0.00 H +ATOM 304 HG SER A 20 -0.420 11.104 3.405 1.00 0.00 H +TER 305 SER A 20 +ENDMDL +MODEL 29 +ATOM 1 N ASN A 1 -8.605 5.735 -1.508 1.00 0.00 N +ATOM 2 CA ASN A 1 -7.571 6.051 -0.495 1.00 0.00 C +ATOM 3 C ASN A 1 -6.164 5.538 -0.832 1.00 0.00 C +ATOM 4 O ASN A 1 -5.240 5.940 -0.139 1.00 0.00 O +ATOM 5 CB ASN A 1 -8.006 5.614 0.920 1.00 0.00 C +ATOM 6 CG ASN A 1 -8.446 6.833 1.721 1.00 0.00 C +ATOM 7 OD1 ASN A 1 -7.636 7.667 2.079 1.00 0.00 O +ATOM 8 ND2 ASN A 1 -9.727 7.012 1.978 1.00 0.00 N +ATOM 9 H1 ASN A 1 -8.317 6.060 -2.422 1.00 0.00 H +ATOM 10 H2 ASN A 1 -8.771 4.738 -1.536 1.00 0.00 H +ATOM 11 H3 ASN A 1 -9.471 6.197 -1.263 1.00 0.00 H +ATOM 12 HA ASN A 1 -7.456 7.138 -0.461 1.00 0.00 H +ATOM 13 HB2 ASN A 1 -8.823 4.923 0.844 1.00 0.00 H +ATOM 14 HB3 ASN A 1 -7.168 5.160 1.453 1.00 0.00 H +ATOM 15 HD21 ASN A 1 -10.461 6.361 1.754 1.00 0.00 H +ATOM 16 HD22 ASN A 1 -9.905 7.847 2.515 1.00 0.00 H +ATOM 17 N LEU A 2 -5.966 4.679 -1.852 1.00 0.00 N +ATOM 18 CA LEU A 2 -4.666 4.117 -2.283 1.00 0.00 C +ATOM 19 C LEU A 2 -4.002 3.168 -1.262 1.00 0.00 C +ATOM 20 O LEU A 2 -3.524 2.099 -1.642 1.00 0.00 O +ATOM 21 CB LEU A 2 -3.717 5.253 -2.748 1.00 0.00 C +ATOM 22 CG LEU A 2 -3.317 5.246 -4.235 1.00 0.00 C +ATOM 23 CD1 LEU A 2 -2.553 3.980 -4.653 1.00 0.00 C +ATOM 24 CD2 LEU A 2 -4.536 5.478 -5.132 1.00 0.00 C +ATOM 25 H LEU A 2 -6.737 4.358 -2.414 1.00 0.00 H +ATOM 26 HA LEU A 2 -4.871 3.489 -3.150 1.00 0.00 H +ATOM 27 HB2 LEU A 2 -4.203 6.188 -2.545 1.00 0.00 H +ATOM 28 HB3 LEU A 2 -2.806 5.212 -2.162 1.00 0.00 H +ATOM 29 HG LEU A 2 -2.646 6.094 -4.387 1.00 0.00 H +ATOM 30 HD11 LEU A 2 -1.523 4.249 -4.893 1.00 0.00 H +ATOM 31 HD12 LEU A 2 -2.534 3.243 -3.853 1.00 0.00 H +ATOM 32 HD13 LEU A 2 -3.005 3.530 -5.537 1.00 0.00 H +ATOM 33 HD21 LEU A 2 -5.218 4.631 -5.088 1.00 0.00 H +ATOM 34 HD22 LEU A 2 -5.054 6.385 -4.819 1.00 0.00 H +ATOM 35 HD23 LEU A 2 -4.203 5.612 -6.162 1.00 0.00 H +ATOM 36 N TYR A 3 -4.025 3.502 0.030 1.00 0.00 N +ATOM 37 CA TYR A 3 -3.458 2.724 1.133 1.00 0.00 C +ATOM 38 C TYR A 3 -3.964 1.270 1.170 1.00 0.00 C +ATOM 39 O TYR A 3 -3.186 0.358 1.441 1.00 0.00 O +ATOM 40 CB TYR A 3 -3.738 3.456 2.457 1.00 0.00 C +ATOM 41 CG TYR A 3 -2.570 3.419 3.420 1.00 0.00 C +ATOM 42 CD1 TYR A 3 -2.245 2.219 4.078 1.00 0.00 C +ATOM 43 CD2 TYR A 3 -1.797 4.577 3.646 1.00 0.00 C +ATOM 44 CE1 TYR A 3 -1.149 2.170 4.960 1.00 0.00 C +ATOM 45 CE2 TYR A 3 -0.713 4.539 4.544 1.00 0.00 C +ATOM 46 CZ TYR A 3 -0.388 3.333 5.204 1.00 0.00 C +ATOM 47 OH TYR A 3 0.627 3.280 6.107 1.00 0.00 O +ATOM 48 H TYR A 3 -4.367 4.438 0.237 1.00 0.00 H +ATOM 49 HA TYR A 3 -2.377 2.691 0.989 1.00 0.00 H +ATOM 50 HB2 TYR A 3 -3.966 4.481 2.238 1.00 0.00 H +ATOM 51 HB3 TYR A 3 -4.614 3.021 2.941 1.00 0.00 H +ATOM 52 HD1 TYR A 3 -2.836 1.333 3.908 1.00 0.00 H +ATOM 53 HD2 TYR A 3 -2.032 5.503 3.135 1.00 0.00 H +ATOM 54 HE1 TYR A 3 -0.891 1.259 5.474 1.00 0.00 H +ATOM 55 HE2 TYR A 3 -0.128 5.433 4.713 1.00 0.00 H +ATOM 56 HH TYR A 3 0.617 4.042 6.689 1.00 0.00 H +ATOM 57 N ILE A 4 -5.244 1.037 0.838 1.00 0.00 N +ATOM 58 CA ILE A 4 -5.834 -0.306 0.713 1.00 0.00 C +ATOM 59 C ILE A 4 -5.105 -1.123 -0.367 1.00 0.00 C +ATOM 60 O ILE A 4 -4.724 -2.268 -0.130 1.00 0.00 O +ATOM 61 CB ILE A 4 -7.352 -0.235 0.407 1.00 0.00 C +ATOM 62 CG1 ILE A 4 -8.137 0.689 1.373 1.00 0.00 C +ATOM 63 CG2 ILE A 4 -7.972 -1.643 0.457 1.00 0.00 C +ATOM 64 CD1 ILE A 4 -8.547 2.007 0.707 1.00 0.00 C +ATOM 65 H ILE A 4 -5.819 1.844 0.651 1.00 0.00 H +ATOM 66 HA ILE A 4 -5.700 -0.825 1.663 1.00 0.00 H +ATOM 67 HB ILE A 4 -7.482 0.137 -0.611 1.00 0.00 H +ATOM 68 HG12 ILE A 4 -9.022 0.177 1.699 1.00 0.00 H +ATOM 69 HG13 ILE A 4 -7.548 0.901 2.265 1.00 0.00 H +ATOM 70 HG21 ILE A 4 -7.504 -2.298 -0.279 1.00 0.00 H +ATOM 71 HG22 ILE A 4 -7.845 -2.074 1.451 1.00 0.00 H +ATOM 72 HG23 ILE A 4 -9.037 -1.590 0.226 1.00 0.00 H +ATOM 73 HD11 ILE A 4 -7.664 2.587 0.439 1.00 0.00 H +ATOM 74 HD12 ILE A 4 -9.134 1.802 -0.191 1.00 0.00 H +ATOM 75 HD13 ILE A 4 -9.164 2.579 1.400 1.00 0.00 H +ATOM 76 N GLN A 5 -4.897 -0.530 -1.550 1.00 0.00 N +ATOM 77 CA GLN A 5 -4.198 -1.155 -2.673 1.00 0.00 C +ATOM 78 C GLN A 5 -2.723 -1.419 -2.333 1.00 0.00 C +ATOM 79 O GLN A 5 -2.200 -2.473 -2.684 1.00 0.00 O +ATOM 80 CB GLN A 5 -4.336 -0.262 -3.917 1.00 0.00 C +ATOM 81 CG GLN A 5 -3.914 -0.964 -5.221 1.00 0.00 C +ATOM 82 CD GLN A 5 -5.086 -1.137 -6.184 1.00 0.00 C +ATOM 83 OE1 GLN A 5 -5.679 -0.180 -6.653 1.00 0.00 O +ATOM 84 NE2 GLN A 5 -5.471 -2.356 -6.511 1.00 0.00 N +ATOM 85 H GLN A 5 -5.132 0.448 -1.635 1.00 0.00 H +ATOM 86 HA GLN A 5 -4.672 -2.115 -2.879 1.00 0.00 H +ATOM 87 HB2 GLN A 5 -5.362 0.038 -4.009 1.00 0.00 H +ATOM 88 HB3 GLN A 5 -3.724 0.632 -3.790 1.00 0.00 H +ATOM 89 HG2 GLN A 5 -3.155 -0.376 -5.701 1.00 0.00 H +ATOM 90 HG3 GLN A 5 -3.469 -1.937 -5.010 1.00 0.00 H +ATOM 91 HE21 GLN A 5 -4.984 -3.177 -6.199 1.00 0.00 H +ATOM 92 HE22 GLN A 5 -6.221 -2.372 -7.181 1.00 0.00 H +ATOM 93 N TRP A 6 -2.071 -0.497 -1.615 1.00 0.00 N +ATOM 94 CA TRP A 6 -0.715 -0.699 -1.098 1.00 0.00 C +ATOM 95 C TRP A 6 -0.639 -1.865 -0.097 1.00 0.00 C +ATOM 96 O TRP A 6 0.196 -2.757 -0.250 1.00 0.00 O +ATOM 97 CB TRP A 6 -0.203 0.608 -0.484 1.00 0.00 C +ATOM 98 CG TRP A 6 1.201 0.530 0.024 1.00 0.00 C +ATOM 99 CD1 TRP A 6 2.311 0.523 -0.750 1.00 0.00 C +ATOM 100 CD2 TRP A 6 1.672 0.404 1.403 1.00 0.00 C +ATOM 101 NE1 TRP A 6 3.428 0.392 0.050 1.00 0.00 N +ATOM 102 CE2 TRP A 6 3.094 0.319 1.381 1.00 0.00 C +ATOM 103 CE3 TRP A 6 1.048 0.358 2.668 1.00 0.00 C +ATOM 104 CZ2 TRP A 6 3.864 0.210 2.546 1.00 0.00 C +ATOM 105 CZ3 TRP A 6 1.810 0.242 3.848 1.00 0.00 C +ATOM 106 CH2 TRP A 6 3.214 0.174 3.791 1.00 0.00 C +ATOM 107 H TRP A 6 -2.559 0.372 -1.412 1.00 0.00 H +ATOM 108 HA TRP A 6 -0.064 -0.958 -1.933 1.00 0.00 H +ATOM 109 HB2 TRP A 6 -0.249 1.374 -1.234 1.00 0.00 H +ATOM 110 HB3 TRP A 6 -0.852 0.901 0.340 1.00 0.00 H +ATOM 111 HD1 TRP A 6 2.315 0.589 -1.829 1.00 0.00 H +ATOM 112 HE1 TRP A 6 4.395 0.361 -0.282 1.00 0.00 H +ATOM 113 HE3 TRP A 6 -0.028 0.427 2.725 1.00 0.00 H +ATOM 114 HZ2 TRP A 6 4.940 0.156 2.473 1.00 0.00 H +ATOM 115 HZ3 TRP A 6 1.316 0.221 4.810 1.00 0.00 H +ATOM 116 HH2 TRP A 6 3.792 0.099 4.701 1.00 0.00 H +ATOM 117 N LEU A 7 -1.536 -1.900 0.899 1.00 0.00 N +ATOM 118 CA LEU A 7 -1.617 -3.007 1.855 1.00 0.00 C +ATOM 119 C LEU A 7 -1.901 -4.357 1.181 1.00 0.00 C +ATOM 120 O LEU A 7 -1.360 -5.362 1.635 1.00 0.00 O +ATOM 121 CB LEU A 7 -2.675 -2.710 2.932 1.00 0.00 C +ATOM 122 CG LEU A 7 -2.221 -1.687 3.991 1.00 0.00 C +ATOM 123 CD1 LEU A 7 -3.385 -1.386 4.937 1.00 0.00 C +ATOM 124 CD2 LEU A 7 -1.031 -2.194 4.815 1.00 0.00 C +ATOM 125 H LEU A 7 -2.191 -1.126 0.991 1.00 0.00 H +ATOM 126 HA LEU A 7 -0.645 -3.114 2.334 1.00 0.00 H +ATOM 127 HB2 LEU A 7 -3.552 -2.327 2.447 1.00 0.00 H +ATOM 128 HB3 LEU A 7 -2.922 -3.640 3.447 1.00 0.00 H +ATOM 129 HG LEU A 7 -1.930 -0.760 3.500 1.00 0.00 H +ATOM 130 HD11 LEU A 7 -4.245 -1.036 4.365 1.00 0.00 H +ATOM 131 HD12 LEU A 7 -3.661 -2.286 5.488 1.00 0.00 H +ATOM 132 HD13 LEU A 7 -3.096 -0.608 5.644 1.00 0.00 H +ATOM 133 HD21 LEU A 7 -1.172 -3.243 5.075 1.00 0.00 H +ATOM 134 HD22 LEU A 7 -0.114 -2.086 4.240 1.00 0.00 H +ATOM 135 HD23 LEU A 7 -0.929 -1.613 5.731 1.00 0.00 H +ATOM 136 N LYS A 8 -2.692 -4.379 0.094 1.00 0.00 N +ATOM 137 CA LYS A 8 -3.020 -5.583 -0.687 1.00 0.00 C +ATOM 138 C LYS A 8 -1.785 -6.364 -1.155 1.00 0.00 C +ATOM 139 O LYS A 8 -1.838 -7.588 -1.203 1.00 0.00 O +ATOM 140 CB LYS A 8 -3.879 -5.189 -1.903 1.00 0.00 C +ATOM 141 CG LYS A 8 -4.659 -6.371 -2.495 1.00 0.00 C +ATOM 142 CD LYS A 8 -5.247 -6.001 -3.867 1.00 0.00 C +ATOM 143 CE LYS A 8 -6.373 -6.957 -4.272 1.00 0.00 C +ATOM 144 NZ LYS A 8 -7.632 -6.645 -3.554 1.00 0.00 N +ATOM 145 H LYS A 8 -3.148 -3.504 -0.155 1.00 0.00 H +ATOM 146 HA LYS A 8 -3.595 -6.254 -0.047 1.00 0.00 H +ATOM 147 HB2 LYS A 8 -4.579 -4.436 -1.597 1.00 0.00 H +ATOM 148 HB3 LYS A 8 -3.229 -4.772 -2.673 1.00 0.00 H +ATOM 149 HG2 LYS A 8 -3.997 -7.208 -2.609 1.00 0.00 H +ATOM 150 HG3 LYS A 8 -5.454 -6.641 -1.801 1.00 0.00 H +ATOM 151 HD2 LYS A 8 -5.637 -5.002 -3.821 1.00 0.00 H +ATOM 152 HD3 LYS A 8 -4.447 -6.061 -4.607 1.00 0.00 H +ATOM 153 HE2 LYS A 8 -6.542 -6.870 -5.328 1.00 0.00 H +ATOM 154 HE3 LYS A 8 -6.057 -7.983 -4.060 1.00 0.00 H +ATOM 155 HZ1 LYS A 8 -7.483 -6.699 -2.554 1.00 0.00 H +ATOM 156 HZ2 LYS A 8 -7.939 -5.708 -3.782 1.00 0.00 H +ATOM 157 HZ3 LYS A 8 -8.360 -7.298 -3.811 1.00 0.00 H +ATOM 158 N ASP A 9 -0.706 -5.663 -1.517 1.00 0.00 N +ATOM 159 CA ASP A 9 0.544 -6.266 -1.987 1.00 0.00 C +ATOM 160 C ASP A 9 1.293 -6.977 -0.843 1.00 0.00 C +ATOM 161 O ASP A 9 1.650 -8.148 -0.961 1.00 0.00 O +ATOM 162 CB ASP A 9 1.392 -5.171 -2.653 1.00 0.00 C +ATOM 163 CG ASP A 9 2.434 -5.757 -3.608 1.00 0.00 C +ATOM 164 OD1 ASP A 9 3.525 -6.132 -3.128 1.00 0.00 O +ATOM 165 OD2 ASP A 9 2.117 -5.814 -4.817 1.00 0.00 O +ATOM 166 H ASP A 9 -0.755 -4.653 -1.452 1.00 0.00 H +ATOM 167 HA ASP A 9 0.304 -7.017 -2.743 1.00 0.00 H +ATOM 168 HB2 ASP A 9 0.744 -4.518 -3.205 1.00 0.00 H +ATOM 169 HB3 ASP A 9 1.878 -4.560 -1.892 1.00 0.00 H +ATOM 170 N GLY A 10 1.469 -6.281 0.289 1.00 0.00 N +ATOM 171 CA GLY A 10 2.142 -6.803 1.484 1.00 0.00 C +ATOM 172 C GLY A 10 2.644 -5.740 2.469 1.00 0.00 C +ATOM 173 O GLY A 10 3.613 -5.985 3.194 1.00 0.00 O +ATOM 174 H GLY A 10 1.155 -5.323 0.250 1.00 0.00 H +ATOM 175 HA2 GLY A 10 1.445 -7.452 2.016 1.00 0.00 H +ATOM 176 HA3 GLY A 10 2.995 -7.408 1.175 1.00 0.00 H +ATOM 177 N GLY A 11 2.028 -4.548 2.496 1.00 0.00 N +ATOM 178 CA GLY A 11 2.465 -3.422 3.328 1.00 0.00 C +ATOM 179 C GLY A 11 3.961 -3.104 3.147 1.00 0.00 C +ATOM 180 O GLY A 11 4.428 -3.060 2.005 1.00 0.00 O +ATOM 181 H GLY A 11 1.229 -4.418 1.894 1.00 0.00 H +ATOM 182 HA2 GLY A 11 1.897 -2.535 3.047 1.00 0.00 H +ATOM 183 HA3 GLY A 11 2.242 -3.663 4.366 1.00 0.00 H +ATOM 184 N PRO A 12 4.744 -2.895 4.229 1.00 0.00 N +ATOM 185 CA PRO A 12 6.184 -2.626 4.136 1.00 0.00 C +ATOM 186 C PRO A 12 6.990 -3.695 3.379 1.00 0.00 C +ATOM 187 O PRO A 12 8.035 -3.383 2.813 1.00 0.00 O +ATOM 188 CB PRO A 12 6.687 -2.517 5.581 1.00 0.00 C +ATOM 189 CG PRO A 12 5.435 -2.200 6.394 1.00 0.00 C +ATOM 190 CD PRO A 12 4.325 -2.910 5.621 1.00 0.00 C +ATOM 191 HA PRO A 12 6.325 -1.668 3.636 1.00 0.00 H +ATOM 192 HB2 PRO A 12 7.124 -3.443 5.902 1.00 0.00 H +ATOM 193 HB3 PRO A 12 7.439 -1.733 5.682 1.00 0.00 H +ATOM 194 HG2 PRO A 12 5.516 -2.586 7.392 1.00 0.00 H +ATOM 195 HG3 PRO A 12 5.256 -1.124 6.386 1.00 0.00 H +ATOM 196 HD2 PRO A 12 4.214 -3.919 5.968 1.00 0.00 H +ATOM 197 HD3 PRO A 12 3.379 -2.387 5.767 1.00 0.00 H +ATOM 198 N SER A 13 6.507 -4.946 3.334 1.00 0.00 N +ATOM 199 CA SER A 13 7.187 -6.064 2.673 1.00 0.00 C +ATOM 200 C SER A 13 7.029 -6.063 1.139 1.00 0.00 C +ATOM 201 O SER A 13 7.451 -7.024 0.494 1.00 0.00 O +ATOM 202 CB SER A 13 6.706 -7.387 3.280 1.00 0.00 C +ATOM 203 OG SER A 13 7.516 -8.439 2.801 1.00 0.00 O +ATOM 204 H SER A 13 5.587 -5.127 3.723 1.00 0.00 H +ATOM 205 HA SER A 13 8.254 -5.982 2.881 1.00 0.00 H +ATOM 206 HB2 SER A 13 6.777 -7.338 4.350 1.00 0.00 H +ATOM 207 HB3 SER A 13 5.667 -7.570 3.006 1.00 0.00 H +ATOM 208 HG SER A 13 7.599 -8.303 1.840 1.00 0.00 H +ATOM 209 N SER A 14 6.431 -5.007 0.568 1.00 0.00 N +ATOM 210 CA SER A 14 6.122 -4.843 -0.863 1.00 0.00 C +ATOM 211 C SER A 14 7.243 -4.167 -1.670 1.00 0.00 C +ATOM 212 O SER A 14 7.126 -4.014 -2.885 1.00 0.00 O +ATOM 213 CB SER A 14 4.869 -3.968 -1.035 1.00 0.00 C +ATOM 214 OG SER A 14 3.852 -4.282 -0.111 1.00 0.00 O +ATOM 215 H SER A 14 6.092 -4.293 1.198 1.00 0.00 H +ATOM 216 HA SER A 14 5.916 -5.820 -1.304 1.00 0.00 H +ATOM 217 HB2 SER A 14 5.148 -2.940 -0.902 1.00 0.00 H +ATOM 218 HB3 SER A 14 4.489 -4.086 -2.049 1.00 0.00 H +ATOM 219 HG SER A 14 4.047 -3.794 0.729 1.00 0.00 H +ATOM 220 N GLY A 15 8.295 -3.658 -1.015 1.00 0.00 N +ATOM 221 CA GLY A 15 9.401 -2.924 -1.649 1.00 0.00 C +ATOM 222 C GLY A 15 9.095 -1.469 -2.050 1.00 0.00 C +ATOM 223 O GLY A 15 10.027 -0.688 -2.223 1.00 0.00 O +ATOM 224 H GLY A 15 8.323 -3.798 -0.013 1.00 0.00 H +ATOM 225 HA2 GLY A 15 10.254 -2.914 -0.971 1.00 0.00 H +ATOM 226 HA3 GLY A 15 9.705 -3.456 -2.552 1.00 0.00 H +ATOM 227 N ARG A 16 7.815 -1.082 -2.167 1.00 0.00 N +ATOM 228 CA ARG A 16 7.364 0.285 -2.472 1.00 0.00 C +ATOM 229 C ARG A 16 6.898 1.010 -1.194 1.00 0.00 C +ATOM 230 O ARG A 16 6.164 0.402 -0.414 1.00 0.00 O +ATOM 231 CB ARG A 16 6.227 0.209 -3.508 1.00 0.00 C +ATOM 232 CG ARG A 16 5.864 1.592 -4.069 1.00 0.00 C +ATOM 233 CD ARG A 16 4.667 1.536 -5.024 1.00 0.00 C +ATOM 234 NE ARG A 16 4.606 2.733 -5.883 1.00 0.00 N +ATOM 235 CZ ARG A 16 4.305 3.981 -5.540 1.00 0.00 C +ATOM 236 NH1 ARG A 16 3.982 4.326 -4.313 1.00 0.00 N +ATOM 237 NH2 ARG A 16 4.338 4.924 -6.455 1.00 0.00 N +ATOM 238 H ARG A 16 7.121 -1.806 -2.050 1.00 0.00 H +ATOM 239 HA ARG A 16 8.203 0.825 -2.912 1.00 0.00 H +ATOM 240 HB2 ARG A 16 6.538 -0.422 -4.318 1.00 0.00 H +ATOM 241 HB3 ARG A 16 5.345 -0.244 -3.049 1.00 0.00 H +ATOM 242 HG2 ARG A 16 5.623 2.244 -3.251 1.00 0.00 H +ATOM 243 HG3 ARG A 16 6.729 1.984 -4.604 1.00 0.00 H +ATOM 244 HD2 ARG A 16 4.756 0.665 -5.645 1.00 0.00 H +ATOM 245 HD3 ARG A 16 3.744 1.430 -4.452 1.00 0.00 H +ATOM 246 HE ARG A 16 4.837 2.583 -6.851 1.00 0.00 H +ATOM 247 HH11 ARG A 16 3.989 3.631 -3.582 1.00 0.00 H +ATOM 248 HH12 ARG A 16 3.762 5.278 -4.085 1.00 0.00 H +ATOM 249 HH21 ARG A 16 4.596 4.707 -7.402 1.00 0.00 H +ATOM 250 HH22 ARG A 16 4.116 5.872 -6.209 1.00 0.00 H +ATOM 251 N PRO A 17 7.232 2.303 -0.989 1.00 0.00 N +ATOM 252 CA PRO A 17 6.749 3.076 0.161 1.00 0.00 C +ATOM 253 C PRO A 17 5.224 3.306 0.130 1.00 0.00 C +ATOM 254 O PRO A 17 4.612 3.230 -0.945 1.00 0.00 O +ATOM 255 CB PRO A 17 7.515 4.405 0.107 1.00 0.00 C +ATOM 256 CG PRO A 17 7.835 4.571 -1.375 1.00 0.00 C +ATOM 257 CD PRO A 17 8.095 3.134 -1.819 1.00 0.00 C +ATOM 258 HA PRO A 17 7.009 2.547 1.078 1.00 0.00 H +ATOM 259 HB2 PRO A 17 6.905 5.214 0.461 1.00 0.00 H +ATOM 260 HB3 PRO A 17 8.445 4.313 0.672 1.00 0.00 H +ATOM 261 HG2 PRO A 17 7.005 4.997 -1.906 1.00 0.00 H +ATOM 262 HG3 PRO A 17 8.703 5.210 -1.537 1.00 0.00 H +ATOM 263 HD2 PRO A 17 7.847 3.012 -2.856 1.00 0.00 H +ATOM 264 HD3 PRO A 17 9.137 2.873 -1.630 1.00 0.00 H +ATOM 265 N PRO A 18 4.607 3.621 1.290 1.00 0.00 N +ATOM 266 CA PRO A 18 3.173 3.861 1.391 1.00 0.00 C +ATOM 267 C PRO A 18 2.768 5.155 0.668 1.00 0.00 C +ATOM 268 O PRO A 18 3.536 6.122 0.654 1.00 0.00 O +ATOM 269 CB PRO A 18 2.862 3.940 2.889 1.00 0.00 C +ATOM 270 CG PRO A 18 4.175 4.424 3.496 1.00 0.00 C +ATOM 271 CD PRO A 18 5.230 3.775 2.601 1.00 0.00 C +ATOM 272 HA PRO A 18 2.647 3.013 0.960 1.00 0.00 H +ATOM 273 HB2 PRO A 18 2.070 4.638 3.081 1.00 0.00 H +ATOM 274 HB3 PRO A 18 2.631 2.946 3.269 1.00 0.00 H +ATOM 275 HG2 PRO A 18 4.245 5.494 3.460 1.00 0.00 H +ATOM 276 HG3 PRO A 18 4.280 4.116 4.536 1.00 0.00 H +ATOM 277 HD2 PRO A 18 6.097 4.404 2.530 1.00 0.00 H +ATOM 278 HD3 PRO A 18 5.490 2.793 2.996 1.00 0.00 H +ATOM 279 N PRO A 19 1.558 5.206 0.088 1.00 0.00 N +ATOM 280 CA PRO A 19 1.036 6.414 -0.536 1.00 0.00 C +ATOM 281 C PRO A 19 0.580 7.431 0.525 1.00 0.00 C +ATOM 282 O PRO A 19 0.139 7.063 1.615 1.00 0.00 O +ATOM 283 CB PRO A 19 -0.114 5.918 -1.419 1.00 0.00 C +ATOM 284 CG PRO A 19 -0.641 4.693 -0.668 1.00 0.00 C +ATOM 285 CD PRO A 19 0.599 4.117 0.004 1.00 0.00 C +ATOM 286 HA PRO A 19 1.800 6.874 -1.164 1.00 0.00 H +ATOM 287 HB2 PRO A 19 -0.876 6.667 -1.512 1.00 0.00 H +ATOM 288 HB3 PRO A 19 0.288 5.602 -2.384 1.00 0.00 H +ATOM 289 HG2 PRO A 19 -1.374 4.978 0.062 1.00 0.00 H +ATOM 290 HG3 PRO A 19 -1.084 3.963 -1.347 1.00 0.00 H +ATOM 291 HD2 PRO A 19 0.357 3.758 0.986 1.00 0.00 H +ATOM 292 HD3 PRO A 19 1.015 3.321 -0.613 1.00 0.00 H +ATOM 293 N SER A 20 0.671 8.718 0.173 1.00 0.00 N +ATOM 294 CA SER A 20 0.166 9.881 0.915 1.00 0.00 C +ATOM 295 C SER A 20 -0.789 10.667 0.023 1.00 0.00 C +ATOM 296 O SER A 20 -1.886 10.995 0.519 1.00 0.00 O +ATOM 297 CB SER A 20 1.319 10.782 1.355 1.00 0.00 C +ATOM 298 OG SER A 20 2.016 10.129 2.391 1.00 0.00 O +ATOM 299 OXT SER A 20 -0.396 10.900 -1.142 1.00 0.00 O +ATOM 300 H SER A 20 0.997 8.943 -0.756 1.00 0.00 H +ATOM 301 HA SER A 20 -0.403 9.569 1.792 1.00 0.00 H +ATOM 302 HB2 SER A 20 1.979 10.958 0.527 1.00 0.00 H +ATOM 303 HB3 SER A 20 0.933 11.738 1.713 1.00 0.00 H +ATOM 304 HG SER A 20 1.901 9.185 2.245 1.00 0.00 H +TER 305 SER A 20 +ENDMDL +MODEL 30 +ATOM 1 N ASN A 1 -6.460 7.364 0.613 1.00 0.00 N +ATOM 2 CA ASN A 1 -7.483 6.556 -0.103 1.00 0.00 C +ATOM 3 C ASN A 1 -6.889 5.287 -0.732 1.00 0.00 C +ATOM 4 O ASN A 1 -7.475 4.227 -0.571 1.00 0.00 O +ATOM 5 CB ASN A 1 -8.236 7.406 -1.144 1.00 0.00 C +ATOM 6 CG ASN A 1 -7.303 7.780 -2.289 1.00 0.00 C +ATOM 7 OD1 ASN A 1 -6.233 8.314 -2.043 1.00 0.00 O +ATOM 8 ND2 ASN A 1 -7.597 7.393 -3.514 1.00 0.00 N +ATOM 9 H1 ASN A 1 -5.878 6.774 1.192 1.00 0.00 H +ATOM 10 H2 ASN A 1 -5.887 7.854 -0.067 1.00 0.00 H +ATOM 11 H3 ASN A 1 -6.912 8.053 1.197 1.00 0.00 H +ATOM 12 HA ASN A 1 -8.216 6.208 0.628 1.00 0.00 H +ATOM 13 HB2 ASN A 1 -9.064 6.843 -1.530 1.00 0.00 H +ATOM 14 HB3 ASN A 1 -8.607 8.320 -0.677 1.00 0.00 H +ATOM 15 HD21 ASN A 1 -8.429 6.875 -3.745 1.00 0.00 H +ATOM 16 HD22 ASN A 1 -6.919 7.643 -4.219 1.00 0.00 H +ATOM 17 N LEU A 2 -5.741 5.358 -1.420 1.00 0.00 N +ATOM 18 CA LEU A 2 -5.100 4.220 -2.108 1.00 0.00 C +ATOM 19 C LEU A 2 -4.341 3.246 -1.180 1.00 0.00 C +ATOM 20 O LEU A 2 -3.776 2.254 -1.644 1.00 0.00 O +ATOM 21 CB LEU A 2 -4.211 4.795 -3.233 1.00 0.00 C +ATOM 22 CG LEU A 2 -5.026 4.979 -4.531 1.00 0.00 C +ATOM 23 CD1 LEU A 2 -4.502 6.140 -5.376 1.00 0.00 C +ATOM 24 CD2 LEU A 2 -5.004 3.695 -5.367 1.00 0.00 C +ATOM 25 H LEU A 2 -5.329 6.267 -1.601 1.00 0.00 H +ATOM 26 HA LEU A 2 -5.882 3.615 -2.569 1.00 0.00 H +ATOM 27 HB2 LEU A 2 -3.822 5.746 -2.923 1.00 0.00 H +ATOM 28 HB3 LEU A 2 -3.367 4.131 -3.434 1.00 0.00 H +ATOM 29 HG LEU A 2 -6.062 5.205 -4.277 1.00 0.00 H +ATOM 30 HD11 LEU A 2 -4.492 7.057 -4.785 1.00 0.00 H +ATOM 31 HD12 LEU A 2 -3.492 5.927 -5.725 1.00 0.00 H +ATOM 32 HD13 LEU A 2 -5.154 6.287 -6.238 1.00 0.00 H +ATOM 33 HD21 LEU A 2 -3.983 3.466 -5.675 1.00 0.00 H +ATOM 34 HD22 LEU A 2 -5.397 2.860 -4.791 1.00 0.00 H +ATOM 35 HD23 LEU A 2 -5.619 3.822 -6.259 1.00 0.00 H +ATOM 36 N TYR A 3 -4.369 3.488 0.136 1.00 0.00 N +ATOM 37 CA TYR A 3 -3.657 2.701 1.145 1.00 0.00 C +ATOM 38 C TYR A 3 -4.098 1.228 1.178 1.00 0.00 C +ATOM 39 O TYR A 3 -3.268 0.347 1.389 1.00 0.00 O +ATOM 40 CB TYR A 3 -3.837 3.357 2.523 1.00 0.00 C +ATOM 41 CG TYR A 3 -2.642 3.161 3.434 1.00 0.00 C +ATOM 42 CD1 TYR A 3 -2.458 1.945 4.120 1.00 0.00 C +ATOM 43 CD2 TYR A 3 -1.695 4.196 3.573 1.00 0.00 C +ATOM 44 CE1 TYR A 3 -1.331 1.761 4.945 1.00 0.00 C +ATOM 45 CE2 TYR A 3 -0.570 4.016 4.396 1.00 0.00 C +ATOM 46 CZ TYR A 3 -0.383 2.798 5.082 1.00 0.00 C +ATOM 47 OH TYR A 3 0.699 2.647 5.890 1.00 0.00 O +ATOM 48 H TYR A 3 -4.905 4.281 0.443 1.00 0.00 H +ATOM 49 HA TYR A 3 -2.597 2.723 0.895 1.00 0.00 H +ATOM 50 HB2 TYR A 3 -3.991 4.410 2.383 1.00 0.00 H +ATOM 51 HB3 TYR A 3 -4.732 2.959 3.008 1.00 0.00 H +ATOM 52 HD1 TYR A 3 -3.179 1.149 4.003 1.00 0.00 H +ATOM 53 HD2 TYR A 3 -1.824 5.137 3.055 1.00 0.00 H +ATOM 54 HE1 TYR A 3 -1.180 0.826 5.463 1.00 0.00 H +ATOM 55 HE2 TYR A 3 0.151 4.808 4.521 1.00 0.00 H +ATOM 56 HH TYR A 3 0.441 2.460 6.795 1.00 0.00 H +ATOM 57 N ILE A 4 -5.388 0.955 0.919 1.00 0.00 N +ATOM 58 CA ILE A 4 -5.920 -0.410 0.824 1.00 0.00 C +ATOM 59 C ILE A 4 -5.170 -1.190 -0.266 1.00 0.00 C +ATOM 60 O ILE A 4 -4.654 -2.276 -0.009 1.00 0.00 O +ATOM 61 CB ILE A 4 -7.449 -0.413 0.570 1.00 0.00 C +ATOM 62 CG1 ILE A 4 -8.252 0.393 1.623 1.00 0.00 C +ATOM 63 CG2 ILE A 4 -7.973 -1.860 0.555 1.00 0.00 C +ATOM 64 CD1 ILE A 4 -8.642 1.792 1.136 1.00 0.00 C +ATOM 65 H ILE A 4 -6.009 1.734 0.758 1.00 0.00 H +ATOM 66 HA ILE A 4 -5.730 -0.915 1.773 1.00 0.00 H +ATOM 67 HB ILE A 4 -7.642 0.008 -0.418 1.00 0.00 H +ATOM 68 HG12 ILE A 4 -9.148 -0.149 1.858 1.00 0.00 H +ATOM 69 HG13 ILE A 4 -7.684 0.477 2.549 1.00 0.00 H +ATOM 70 HG21 ILE A 4 -7.552 -2.404 -0.285 1.00 0.00 H +ATOM 71 HG22 ILE A 4 -7.704 -2.366 1.485 1.00 0.00 H +ATOM 72 HG23 ILE A 4 -9.059 -1.868 0.448 1.00 0.00 H +ATOM 73 HD11 ILE A 4 -7.779 2.452 1.188 1.00 0.00 H +ATOM 74 HD12 ILE A 4 -9.018 1.751 0.113 1.00 0.00 H +ATOM 75 HD13 ILE A 4 -9.431 2.192 1.775 1.00 0.00 H +ATOM 76 N GLN A 5 -5.097 -0.628 -1.481 1.00 0.00 N +ATOM 77 CA GLN A 5 -4.416 -1.240 -2.624 1.00 0.00 C +ATOM 78 C GLN A 5 -2.926 -1.482 -2.349 1.00 0.00 C +ATOM 79 O GLN A 5 -2.406 -2.535 -2.707 1.00 0.00 O +ATOM 80 CB GLN A 5 -4.601 -0.369 -3.878 1.00 0.00 C +ATOM 81 CG GLN A 5 -4.909 -1.238 -5.106 1.00 0.00 C +ATOM 82 CD GLN A 5 -4.680 -0.468 -6.398 1.00 0.00 C +ATOM 83 OE1 GLN A 5 -5.535 0.265 -6.866 1.00 0.00 O +ATOM 84 NE2 GLN A 5 -3.518 -0.604 -7.008 1.00 0.00 N +ATOM 85 H GLN A 5 -5.464 0.307 -1.591 1.00 0.00 H +ATOM 86 HA GLN A 5 -4.871 -2.214 -2.798 1.00 0.00 H +ATOM 87 HB2 GLN A 5 -5.414 0.312 -3.716 1.00 0.00 H +ATOM 88 HB3 GLN A 5 -3.691 0.207 -4.059 1.00 0.00 H +ATOM 89 HG2 GLN A 5 -4.269 -2.099 -5.094 1.00 0.00 H +ATOM 90 HG3 GLN A 5 -5.953 -1.554 -5.065 1.00 0.00 H +ATOM 91 HE21 GLN A 5 -2.791 -1.203 -6.654 1.00 0.00 H +ATOM 92 HE22 GLN A 5 -3.429 -0.080 -7.861 1.00 0.00 H +ATOM 93 N TRP A 6 -2.259 -0.532 -1.681 1.00 0.00 N +ATOM 94 CA TRP A 6 -0.876 -0.690 -1.231 1.00 0.00 C +ATOM 95 C TRP A 6 -0.716 -1.832 -0.211 1.00 0.00 C +ATOM 96 O TRP A 6 0.176 -2.668 -0.361 1.00 0.00 O +ATOM 97 CB TRP A 6 -0.374 0.647 -0.679 1.00 0.00 C +ATOM 98 CG TRP A 6 1.038 0.612 -0.187 1.00 0.00 C +ATOM 99 CD1 TRP A 6 2.141 0.697 -0.963 1.00 0.00 C +ATOM 100 CD2 TRP A 6 1.520 0.464 1.184 1.00 0.00 C +ATOM 101 NE1 TRP A 6 3.265 0.595 -0.168 1.00 0.00 N +ATOM 102 CE2 TRP A 6 2.944 0.448 1.159 1.00 0.00 C +ATOM 103 CE3 TRP A 6 0.902 0.355 2.448 1.00 0.00 C +ATOM 104 CZ2 TRP A 6 3.724 0.344 2.317 1.00 0.00 C +ATOM 105 CZ3 TRP A 6 1.675 0.244 3.623 1.00 0.00 C +ATOM 106 CH2 TRP A 6 3.080 0.249 3.561 1.00 0.00 C +ATOM 107 H TRP A 6 -2.752 0.326 -1.458 1.00 0.00 H +ATOM 108 HA TRP A 6 -0.260 -0.952 -2.093 1.00 0.00 H +ATOM 109 HB2 TRP A 6 -0.441 1.380 -1.459 1.00 0.00 H +ATOM 110 HB3 TRP A 6 -1.015 0.962 0.144 1.00 0.00 H +ATOM 111 HD1 TRP A 6 2.138 0.826 -2.038 1.00 0.00 H +ATOM 112 HE1 TRP A 6 4.223 0.685 -0.491 1.00 0.00 H +ATOM 113 HE3 TRP A 6 -0.175 0.378 2.506 1.00 0.00 H +ATOM 114 HZ2 TRP A 6 4.802 0.341 2.239 1.00 0.00 H +ATOM 115 HZ3 TRP A 6 1.187 0.174 4.582 1.00 0.00 H +ATOM 116 HH2 TRP A 6 3.663 0.185 4.467 1.00 0.00 H +ATOM 117 N LEU A 7 -1.599 -1.914 0.796 1.00 0.00 N +ATOM 118 CA LEU A 7 -1.593 -3.012 1.768 1.00 0.00 C +ATOM 119 C LEU A 7 -1.846 -4.384 1.129 1.00 0.00 C +ATOM 120 O LEU A 7 -1.193 -5.345 1.538 1.00 0.00 O +ATOM 121 CB LEU A 7 -2.602 -2.751 2.902 1.00 0.00 C +ATOM 122 CG LEU A 7 -2.105 -1.780 3.989 1.00 0.00 C +ATOM 123 CD1 LEU A 7 -3.232 -1.537 4.996 1.00 0.00 C +ATOM 124 CD2 LEU A 7 -0.894 -2.319 4.764 1.00 0.00 C +ATOM 125 H LEU A 7 -2.301 -1.181 0.888 1.00 0.00 H +ATOM 126 HA LEU A 7 -0.591 -3.074 2.189 1.00 0.00 H +ATOM 127 HB2 LEU A 7 -3.494 -2.341 2.469 1.00 0.00 H +ATOM 128 HB3 LEU A 7 -2.838 -3.699 3.387 1.00 0.00 H +ATOM 129 HG LEU A 7 -1.835 -0.833 3.527 1.00 0.00 H +ATOM 130 HD11 LEU A 7 -4.108 -1.139 4.483 1.00 0.00 H +ATOM 131 HD12 LEU A 7 -3.500 -2.472 5.489 1.00 0.00 H +ATOM 132 HD13 LEU A 7 -2.913 -0.822 5.752 1.00 0.00 H +ATOM 133 HD21 LEU A 7 -1.122 -3.301 5.179 1.00 0.00 H +ATOM 134 HD22 LEU A 7 -0.027 -2.398 4.112 1.00 0.00 H +ATOM 135 HD23 LEU A 7 -0.639 -1.639 5.576 1.00 0.00 H +ATOM 136 N LYS A 8 -2.722 -4.491 0.113 1.00 0.00 N +ATOM 137 CA LYS A 8 -2.959 -5.749 -0.626 1.00 0.00 C +ATOM 138 C LYS A 8 -1.683 -6.372 -1.201 1.00 0.00 C +ATOM 139 O LYS A 8 -1.595 -7.593 -1.269 1.00 0.00 O +ATOM 140 CB LYS A 8 -4.007 -5.555 -1.743 1.00 0.00 C +ATOM 141 CG LYS A 8 -5.443 -5.846 -1.265 1.00 0.00 C +ATOM 142 CD LYS A 8 -6.440 -4.718 -1.552 1.00 0.00 C +ATOM 143 CE LYS A 8 -6.997 -4.739 -2.978 1.00 0.00 C +ATOM 144 NZ LYS A 8 -7.865 -3.560 -3.222 1.00 0.00 N +ATOM 145 H LYS A 8 -3.252 -3.655 -0.124 1.00 0.00 H +ATOM 146 HA LYS A 8 -3.328 -6.495 0.081 1.00 0.00 H +ATOM 147 HB2 LYS A 8 -3.958 -4.540 -2.087 1.00 0.00 H +ATOM 148 HB3 LYS A 8 -3.787 -6.243 -2.562 1.00 0.00 H +ATOM 149 HG2 LYS A 8 -5.788 -6.734 -1.758 1.00 0.00 H +ATOM 150 HG3 LYS A 8 -5.439 -6.011 -0.187 1.00 0.00 H +ATOM 151 HD2 LYS A 8 -7.260 -4.808 -0.866 1.00 0.00 H +ATOM 152 HD3 LYS A 8 -5.951 -3.767 -1.378 1.00 0.00 H +ATOM 153 HE2 LYS A 8 -6.181 -4.725 -3.675 1.00 0.00 H +ATOM 154 HE3 LYS A 8 -7.572 -5.660 -3.111 1.00 0.00 H +ATOM 155 HZ1 LYS A 8 -8.644 -3.562 -2.574 1.00 0.00 H +ATOM 156 HZ2 LYS A 8 -7.341 -2.706 -3.093 1.00 0.00 H +ATOM 157 HZ3 LYS A 8 -8.232 -3.580 -4.164 1.00 0.00 H +ATOM 158 N ASP A 9 -0.696 -5.556 -1.580 1.00 0.00 N +ATOM 159 CA ASP A 9 0.598 -6.026 -2.075 1.00 0.00 C +ATOM 160 C ASP A 9 1.519 -6.577 -0.966 1.00 0.00 C +ATOM 161 O ASP A 9 2.545 -7.185 -1.279 1.00 0.00 O +ATOM 162 CB ASP A 9 1.286 -4.862 -2.807 1.00 0.00 C +ATOM 163 CG ASP A 9 2.136 -5.346 -3.982 1.00 0.00 C +ATOM 164 OD1 ASP A 9 1.579 -5.513 -5.084 1.00 0.00 O +ATOM 165 OD2 ASP A 9 3.373 -5.444 -3.814 1.00 0.00 O +ATOM 166 H ASP A 9 -0.850 -4.558 -1.514 1.00 0.00 H +ATOM 167 HA ASP A 9 0.421 -6.829 -2.794 1.00 0.00 H +ATOM 168 HB2 ASP A 9 0.534 -4.192 -3.177 1.00 0.00 H +ATOM 169 HB3 ASP A 9 1.907 -4.305 -2.103 1.00 0.00 H +ATOM 170 N GLY A 10 1.200 -6.338 0.319 1.00 0.00 N +ATOM 171 CA GLY A 10 1.994 -6.734 1.492 1.00 0.00 C +ATOM 172 C GLY A 10 2.551 -5.569 2.334 1.00 0.00 C +ATOM 173 O GLY A 10 3.261 -5.808 3.315 1.00 0.00 O +ATOM 174 H GLY A 10 0.312 -5.879 0.502 1.00 0.00 H +ATOM 175 HA2 GLY A 10 1.360 -7.337 2.142 1.00 0.00 H +ATOM 176 HA3 GLY A 10 2.835 -7.356 1.186 1.00 0.00 H +ATOM 177 N GLY A 11 2.238 -4.314 1.983 1.00 0.00 N +ATOM 178 CA GLY A 11 2.630 -3.135 2.756 1.00 0.00 C +ATOM 179 C GLY A 11 4.156 -2.921 2.790 1.00 0.00 C +ATOM 180 O GLY A 11 4.786 -2.907 1.729 1.00 0.00 O +ATOM 181 H GLY A 11 1.725 -4.177 1.122 1.00 0.00 H +ATOM 182 HA2 GLY A 11 2.172 -2.252 2.310 1.00 0.00 H +ATOM 183 HA3 GLY A 11 2.237 -3.250 3.763 1.00 0.00 H +ATOM 184 N PRO A 12 4.785 -2.743 3.974 1.00 0.00 N +ATOM 185 CA PRO A 12 6.237 -2.551 4.077 1.00 0.00 C +ATOM 186 C PRO A 12 7.066 -3.702 3.485 1.00 0.00 C +ATOM 187 O PRO A 12 8.207 -3.486 3.077 1.00 0.00 O +ATOM 188 CB PRO A 12 6.543 -2.392 5.572 1.00 0.00 C +ATOM 189 CG PRO A 12 5.203 -2.021 6.203 1.00 0.00 C +ATOM 190 CD PRO A 12 4.182 -2.709 5.300 1.00 0.00 C +ATOM 191 HA PRO A 12 6.501 -1.628 3.560 1.00 0.00 H +ATOM 192 HB2 PRO A 12 6.913 -3.312 5.983 1.00 0.00 H +ATOM 193 HB3 PRO A 12 7.291 -1.616 5.745 1.00 0.00 H +ATOM 194 HG2 PRO A 12 5.137 -2.391 7.208 1.00 0.00 H +ATOM 195 HG3 PRO A 12 5.065 -0.941 6.157 1.00 0.00 H +ATOM 196 HD2 PRO A 12 3.987 -3.705 5.648 1.00 0.00 H +ATOM 197 HD3 PRO A 12 3.247 -2.149 5.311 1.00 0.00 H +ATOM 198 N SER A 13 6.502 -4.917 3.405 1.00 0.00 N +ATOM 199 CA SER A 13 7.196 -6.128 2.940 1.00 0.00 C +ATOM 200 C SER A 13 7.128 -6.326 1.416 1.00 0.00 C +ATOM 201 O SER A 13 7.334 -7.437 0.931 1.00 0.00 O +ATOM 202 CB SER A 13 6.674 -7.367 3.682 1.00 0.00 C +ATOM 203 OG SER A 13 6.833 -7.217 5.081 1.00 0.00 O +ATOM 204 H SER A 13 5.524 -4.999 3.654 1.00 0.00 H +ATOM 205 HA SER A 13 8.254 -6.034 3.186 1.00 0.00 H +ATOM 206 HB2 SER A 13 5.633 -7.499 3.458 1.00 0.00 H +ATOM 207 HB3 SER A 13 7.251 -8.238 3.368 1.00 0.00 H +ATOM 208 HG SER A 13 6.115 -6.675 5.416 1.00 0.00 H +ATOM 209 N SER A 14 6.854 -5.257 0.662 1.00 0.00 N +ATOM 210 CA SER A 14 6.584 -5.293 -0.785 1.00 0.00 C +ATOM 211 C SER A 14 7.566 -4.459 -1.616 1.00 0.00 C +ATOM 212 O SER A 14 7.367 -4.289 -2.817 1.00 0.00 O +ATOM 213 CB SER A 14 5.146 -4.838 -1.031 1.00 0.00 C +ATOM 214 OG SER A 14 4.277 -5.620 -0.252 1.00 0.00 O +ATOM 215 H SER A 14 6.601 -4.410 1.157 1.00 0.00 H +ATOM 216 HA SER A 14 6.658 -6.321 -1.144 1.00 0.00 H +ATOM 217 HB2 SER A 14 5.044 -3.806 -0.757 1.00 0.00 H +ATOM 218 HB3 SER A 14 4.908 -4.937 -2.086 1.00 0.00 H +ATOM 219 HG SER A 14 3.762 -6.253 -0.814 1.00 0.00 H +ATOM 220 N GLY A 15 8.616 -3.911 -0.986 1.00 0.00 N +ATOM 221 CA GLY A 15 9.650 -3.115 -1.655 1.00 0.00 C +ATOM 222 C GLY A 15 9.148 -1.778 -2.215 1.00 0.00 C +ATOM 223 O GLY A 15 9.705 -1.282 -3.192 1.00 0.00 O +ATOM 224 H GLY A 15 8.720 -4.130 -0.003 1.00 0.00 H +ATOM 225 HA2 GLY A 15 10.451 -2.904 -0.947 1.00 0.00 H +ATOM 226 HA3 GLY A 15 10.069 -3.693 -2.479 1.00 0.00 H +ATOM 227 N ARG A 16 8.090 -1.203 -1.622 1.00 0.00 N +ATOM 228 CA ARG A 16 7.417 0.014 -2.096 1.00 0.00 C +ATOM 229 C ARG A 16 6.924 0.888 -0.926 1.00 0.00 C +ATOM 230 O ARG A 16 6.280 0.358 -0.018 1.00 0.00 O +ATOM 231 CB ARG A 16 6.269 -0.371 -3.052 1.00 0.00 C +ATOM 232 CG ARG A 16 5.250 -1.359 -2.458 1.00 0.00 C +ATOM 233 CD ARG A 16 4.104 -1.695 -3.419 1.00 0.00 C +ATOM 234 NE ARG A 16 4.341 -2.957 -4.134 1.00 0.00 N +ATOM 235 CZ ARG A 16 4.904 -3.201 -5.305 1.00 0.00 C +ATOM 236 NH1 ARG A 16 5.427 -2.257 -6.053 1.00 0.00 N +ATOM 237 NH2 ARG A 16 4.910 -4.436 -5.734 1.00 0.00 N +ATOM 238 H ARG A 16 7.706 -1.667 -0.809 1.00 0.00 H +ATOM 239 HA ARG A 16 8.145 0.582 -2.674 1.00 0.00 H +ATOM 240 HB2 ARG A 16 5.747 0.525 -3.327 1.00 0.00 H +ATOM 241 HB3 ARG A 16 6.708 -0.821 -3.943 1.00 0.00 H +ATOM 242 HG2 ARG A 16 5.762 -2.268 -2.207 1.00 0.00 H +ATOM 243 HG3 ARG A 16 4.813 -0.934 -1.563 1.00 0.00 H +ATOM 244 HD2 ARG A 16 3.194 -1.780 -2.857 1.00 0.00 H +ATOM 245 HD3 ARG A 16 3.933 -0.873 -4.115 1.00 0.00 H +ATOM 246 HE ARG A 16 3.985 -3.821 -3.714 1.00 0.00 H +ATOM 247 HH11 ARG A 16 5.402 -1.317 -5.706 1.00 0.00 H +ATOM 248 HH12 ARG A 16 5.836 -2.486 -6.938 1.00 0.00 H +ATOM 249 HH21 ARG A 16 4.381 -5.092 -5.130 1.00 0.00 H +ATOM 250 HH22 ARG A 16 5.299 -4.728 -6.606 1.00 0.00 H +ATOM 251 N PRO A 17 7.173 2.212 -0.928 1.00 0.00 N +ATOM 252 CA PRO A 17 6.709 3.107 0.135 1.00 0.00 C +ATOM 253 C PRO A 17 5.179 3.304 0.093 1.00 0.00 C +ATOM 254 O PRO A 17 4.572 3.105 -0.963 1.00 0.00 O +ATOM 255 CB PRO A 17 7.453 4.424 -0.105 1.00 0.00 C +ATOM 256 CG PRO A 17 7.690 4.435 -1.615 1.00 0.00 C +ATOM 257 CD PRO A 17 7.884 2.960 -1.955 1.00 0.00 C +ATOM 258 HA PRO A 17 6.996 2.696 1.103 1.00 0.00 H +ATOM 259 HB2 PRO A 17 6.854 5.262 0.195 1.00 0.00 H +ATOM 260 HB3 PRO A 17 8.414 4.395 0.413 1.00 0.00 H +ATOM 261 HG2 PRO A 17 6.842 4.840 -2.134 1.00 0.00 H +ATOM 262 HG3 PRO A 17 8.568 5.026 -1.881 1.00 0.00 H +ATOM 263 HD2 PRO A 17 7.475 2.744 -2.923 1.00 0.00 H +ATOM 264 HD3 PRO A 17 8.945 2.707 -1.917 1.00 0.00 H +ATOM 265 N PRO A 18 4.547 3.703 1.215 1.00 0.00 N +ATOM 266 CA PRO A 18 3.107 3.958 1.273 1.00 0.00 C +ATOM 267 C PRO A 18 2.718 5.246 0.522 1.00 0.00 C +ATOM 268 O PRO A 18 3.537 6.161 0.405 1.00 0.00 O +ATOM 269 CB PRO A 18 2.775 4.060 2.766 1.00 0.00 C +ATOM 270 CG PRO A 18 4.078 4.556 3.393 1.00 0.00 C +ATOM 271 CD PRO A 18 5.157 3.921 2.519 1.00 0.00 C +ATOM 272 HA PRO A 18 2.574 3.114 0.842 1.00 0.00 H +ATOM 273 HB2 PRO A 18 1.979 4.759 2.934 1.00 0.00 H +ATOM 274 HB3 PRO A 18 2.537 3.072 3.156 1.00 0.00 H +ATOM 275 HG2 PRO A 18 4.137 5.627 3.359 1.00 0.00 H +ATOM 276 HG3 PRO A 18 4.168 4.245 4.434 1.00 0.00 H +ATOM 277 HD2 PRO A 18 5.999 4.580 2.430 1.00 0.00 H +ATOM 278 HD3 PRO A 18 5.454 2.961 2.942 1.00 0.00 H +ATOM 279 N PRO A 19 1.462 5.356 0.042 1.00 0.00 N +ATOM 280 CA PRO A 19 0.965 6.565 -0.607 1.00 0.00 C +ATOM 281 C PRO A 19 0.679 7.670 0.424 1.00 0.00 C +ATOM 282 O PRO A 19 0.133 7.394 1.493 1.00 0.00 O +ATOM 283 CB PRO A 19 -0.307 6.120 -1.337 1.00 0.00 C +ATOM 284 CG PRO A 19 -0.842 4.980 -0.470 1.00 0.00 C +ATOM 285 CD PRO A 19 0.425 4.333 0.092 1.00 0.00 C +ATOM 286 HA PRO A 19 1.694 6.927 -1.334 1.00 0.00 H +ATOM 287 HB2 PRO A 19 -1.016 6.923 -1.394 1.00 0.00 H +ATOM 288 HB3 PRO A 19 -0.038 5.730 -2.321 1.00 0.00 H +ATOM 289 HG2 PRO A 19 -1.462 5.358 0.320 1.00 0.00 H +ATOM 290 HG3 PRO A 19 -1.427 4.271 -1.057 1.00 0.00 H +ATOM 291 HD2 PRO A 19 0.263 4.017 1.104 1.00 0.00 H +ATOM 292 HD3 PRO A 19 0.718 3.493 -0.537 1.00 0.00 H +ATOM 293 N SER A 20 1.033 8.915 0.077 1.00 0.00 N +ATOM 294 CA SER A 20 0.705 10.139 0.828 1.00 0.00 C +ATOM 295 C SER A 20 -0.786 10.478 0.742 1.00 0.00 C +ATOM 296 O SER A 20 -1.375 10.693 1.822 1.00 0.00 O +ATOM 297 CB SER A 20 1.520 11.322 0.296 1.00 0.00 C +ATOM 298 OG SER A 20 2.902 11.054 0.415 1.00 0.00 O +ATOM 299 OXT SER A 20 -1.297 10.548 -0.398 1.00 0.00 O +ATOM 300 H SER A 20 1.493 9.051 -0.810 1.00 0.00 H +ATOM 301 HA SER A 20 0.929 9.985 1.882 1.00 0.00 H +ATOM 302 HB2 SER A 20 1.278 11.484 -0.737 1.00 0.00 H +ATOM 303 HB3 SER A 20 1.270 12.218 0.868 1.00 0.00 H +ATOM 304 HG SER A 20 3.079 10.774 1.317 1.00 0.00 H +TER 305 SER A 20 +ENDMDL +MODEL 31 +ATOM 1 N ASN A 1 -5.909 7.522 0.267 1.00 0.00 N +ATOM 2 CA ASN A 1 -6.878 6.859 -0.640 1.00 0.00 C +ATOM 3 C ASN A 1 -6.387 5.474 -1.074 1.00 0.00 C +ATOM 4 O ASN A 1 -7.073 4.506 -0.795 1.00 0.00 O +ATOM 5 CB ASN A 1 -7.238 7.752 -1.848 1.00 0.00 C +ATOM 6 CG ASN A 1 -6.030 7.972 -2.754 1.00 0.00 C +ATOM 7 OD1 ASN A 1 -4.939 8.212 -2.259 1.00 0.00 O +ATOM 8 ND2 ASN A 1 -6.143 7.768 -4.052 1.00 0.00 N +ATOM 9 H1 ASN A 1 -5.599 6.883 0.986 1.00 0.00 H +ATOM 10 H2 ASN A 1 -5.112 7.842 -0.277 1.00 0.00 H +ATOM 11 H3 ASN A 1 -6.337 8.328 0.703 1.00 0.00 H +ATOM 12 HA ASN A 1 -7.798 6.680 -0.079 1.00 0.00 H +ATOM 13 HB2 ASN A 1 -8.017 7.278 -2.413 1.00 0.00 H +ATOM 14 HB3 ASN A 1 -7.592 8.722 -1.493 1.00 0.00 H +ATOM 15 HD21 ASN A 1 -7.007 7.508 -4.498 1.00 0.00 H +ATOM 16 HD22 ASN A 1 -5.297 7.914 -4.581 1.00 0.00 H +ATOM 17 N LEU A 2 -5.214 5.357 -1.714 1.00 0.00 N +ATOM 18 CA LEU A 2 -4.723 4.133 -2.374 1.00 0.00 C +ATOM 19 C LEU A 2 -4.072 3.112 -1.410 1.00 0.00 C +ATOM 20 O LEU A 2 -3.514 2.099 -1.824 1.00 0.00 O +ATOM 21 CB LEU A 2 -3.784 4.570 -3.527 1.00 0.00 C +ATOM 22 CG LEU A 2 -4.051 3.825 -4.857 1.00 0.00 C +ATOM 23 CD1 LEU A 2 -4.094 4.806 -6.033 1.00 0.00 C +ATOM 24 CD2 LEU A 2 -2.990 2.766 -5.156 1.00 0.00 C +ATOM 25 H LEU A 2 -4.694 6.204 -1.928 1.00 0.00 H +ATOM 26 HA LEU A 2 -5.592 3.628 -2.801 1.00 0.00 H +ATOM 27 HB2 LEU A 2 -3.918 5.621 -3.694 1.00 0.00 H +ATOM 28 HB3 LEU A 2 -2.742 4.452 -3.229 1.00 0.00 H +ATOM 29 HG LEU A 2 -5.023 3.338 -4.815 1.00 0.00 H +ATOM 30 HD11 LEU A 2 -4.920 5.505 -5.900 1.00 0.00 H +ATOM 31 HD12 LEU A 2 -3.158 5.361 -6.096 1.00 0.00 H +ATOM 32 HD13 LEU A 2 -4.250 4.259 -6.963 1.00 0.00 H +ATOM 33 HD21 LEU A 2 -2.068 3.238 -5.500 1.00 0.00 H +ATOM 34 HD22 LEU A 2 -2.771 2.189 -4.262 1.00 0.00 H +ATOM 35 HD23 LEU A 2 -3.360 2.093 -5.930 1.00 0.00 H +ATOM 36 N TYR A 3 -4.158 3.379 -0.100 1.00 0.00 N +ATOM 37 CA TYR A 3 -3.550 2.591 0.970 1.00 0.00 C +ATOM 38 C TYR A 3 -4.064 1.142 1.019 1.00 0.00 C +ATOM 39 O TYR A 3 -3.312 0.246 1.398 1.00 0.00 O +ATOM 40 CB TYR A 3 -3.780 3.308 2.312 1.00 0.00 C +ATOM 41 CG TYR A 3 -2.551 3.326 3.197 1.00 0.00 C +ATOM 42 CD1 TYR A 3 -2.261 2.225 4.024 1.00 0.00 C +ATOM 43 CD2 TYR A 3 -1.687 4.439 3.181 1.00 0.00 C +ATOM 44 CE1 TYR A 3 -1.106 2.230 4.829 1.00 0.00 C +ATOM 45 CE2 TYR A 3 -0.529 4.448 3.976 1.00 0.00 C +ATOM 46 CZ TYR A 3 -0.232 3.340 4.800 1.00 0.00 C +ATOM 47 OH TYR A 3 0.880 3.349 5.583 1.00 0.00 O +ATOM 48 H TYR A 3 -4.674 4.203 0.150 1.00 0.00 H +ATOM 49 HA TYR A 3 -2.477 2.550 0.784 1.00 0.00 H +ATOM 50 HB2 TYR A 3 -4.071 4.321 2.112 1.00 0.00 H +ATOM 51 HB3 TYR A 3 -4.604 2.835 2.848 1.00 0.00 H +ATOM 52 HD1 TYR A 3 -2.925 1.374 4.033 1.00 0.00 H +ATOM 53 HD2 TYR A 3 -1.899 5.294 2.555 1.00 0.00 H +ATOM 54 HE1 TYR A 3 -0.876 1.391 5.467 1.00 0.00 H +ATOM 55 HE2 TYR A 3 0.134 5.301 3.953 1.00 0.00 H +ATOM 56 HH TYR A 3 0.691 3.713 6.450 1.00 0.00 H +ATOM 57 N ILE A 4 -5.318 0.899 0.604 1.00 0.00 N +ATOM 58 CA ILE A 4 -5.916 -0.442 0.543 1.00 0.00 C +ATOM 59 C ILE A 4 -5.144 -1.321 -0.447 1.00 0.00 C +ATOM 60 O ILE A 4 -4.704 -2.405 -0.072 1.00 0.00 O +ATOM 61 CB ILE A 4 -7.426 -0.393 0.201 1.00 0.00 C +ATOM 62 CG1 ILE A 4 -8.210 0.560 1.137 1.00 0.00 C +ATOM 63 CG2 ILE A 4 -8.041 -1.802 0.286 1.00 0.00 C +ATOM 64 CD1 ILE A 4 -8.670 1.817 0.395 1.00 0.00 C +ATOM 65 H ILE A 4 -5.870 1.690 0.302 1.00 0.00 H +ATOM 66 HA ILE A 4 -5.811 -0.900 1.529 1.00 0.00 H +ATOM 67 HB ILE A 4 -7.537 -0.053 -0.832 1.00 0.00 H +ATOM 68 HG12 ILE A 4 -9.071 0.045 1.518 1.00 0.00 H +ATOM 69 HG13 ILE A 4 -7.591 0.854 1.986 1.00 0.00 H +ATOM 70 HG21 ILE A 4 -7.564 -2.474 -0.427 1.00 0.00 H +ATOM 71 HG22 ILE A 4 -7.920 -2.203 1.294 1.00 0.00 H +ATOM 72 HG23 ILE A 4 -9.103 -1.755 0.046 1.00 0.00 H +ATOM 73 HD11 ILE A 4 -7.834 2.238 -0.159 1.00 0.00 H +ATOM 74 HD12 ILE A 4 -9.467 1.560 -0.304 1.00 0.00 H +ATOM 75 HD13 ILE A 4 -9.041 2.553 1.108 1.00 0.00 H +ATOM 76 N GLN A 5 -4.941 -0.843 -1.684 1.00 0.00 N +ATOM 77 CA GLN A 5 -4.117 -1.514 -2.693 1.00 0.00 C +ATOM 78 C GLN A 5 -2.686 -1.746 -2.187 1.00 0.00 C +ATOM 79 O GLN A 5 -2.209 -2.879 -2.229 1.00 0.00 O +ATOM 80 CB GLN A 5 -4.134 -0.708 -4.002 1.00 0.00 C +ATOM 81 CG GLN A 5 -5.442 -0.901 -4.795 1.00 0.00 C +ATOM 82 CD GLN A 5 -6.166 0.412 -5.082 1.00 0.00 C +ATOM 83 OE1 GLN A 5 -6.464 1.188 -4.184 1.00 0.00 O +ATOM 84 NE2 GLN A 5 -6.497 0.688 -6.330 1.00 0.00 N +ATOM 85 H GLN A 5 -5.307 0.072 -1.913 1.00 0.00 H +ATOM 86 HA GLN A 5 -4.539 -2.498 -2.896 1.00 0.00 H +ATOM 87 HB2 GLN A 5 -4.024 0.333 -3.767 1.00 0.00 H +ATOM 88 HB3 GLN A 5 -3.302 -1.031 -4.631 1.00 0.00 H +ATOM 89 HG2 GLN A 5 -5.209 -1.374 -5.729 1.00 0.00 H +ATOM 90 HG3 GLN A 5 -6.129 -1.543 -4.244 1.00 0.00 H +ATOM 91 HE21 GLN A 5 -6.283 0.067 -7.093 1.00 0.00 H +ATOM 92 HE22 GLN A 5 -7.002 1.548 -6.458 1.00 0.00 H +ATOM 93 N TRP A 6 -2.034 -0.709 -1.645 1.00 0.00 N +ATOM 94 CA TRP A 6 -0.678 -0.829 -1.093 1.00 0.00 C +ATOM 95 C TRP A 6 -0.567 -1.888 0.023 1.00 0.00 C +ATOM 96 O TRP A 6 0.376 -2.684 0.030 1.00 0.00 O +ATOM 97 CB TRP A 6 -0.200 0.546 -0.612 1.00 0.00 C +ATOM 98 CG TRP A 6 1.200 0.544 -0.082 1.00 0.00 C +ATOM 99 CD1 TRP A 6 2.322 0.559 -0.836 1.00 0.00 C +ATOM 100 CD2 TRP A 6 1.651 0.467 1.306 1.00 0.00 C +ATOM 101 NE1 TRP A 6 3.427 0.481 -0.014 1.00 0.00 N +ATOM 102 CE2 TRP A 6 3.075 0.428 1.313 1.00 0.00 C +ATOM 103 CE3 TRP A 6 1.006 0.418 2.560 1.00 0.00 C +ATOM 104 CZ2 TRP A 6 3.828 0.362 2.492 1.00 0.00 C +ATOM 105 CZ3 TRP A 6 1.749 0.341 3.754 1.00 0.00 C +ATOM 106 CH2 TRP A 6 3.155 0.321 3.723 1.00 0.00 C +ATOM 107 H TRP A 6 -2.492 0.198 -1.645 1.00 0.00 H +ATOM 108 HA TRP A 6 -0.016 -1.157 -1.898 1.00 0.00 H +ATOM 109 HB2 TRP A 6 -0.249 1.230 -1.438 1.00 0.00 H +ATOM 110 HB3 TRP A 6 -0.866 0.904 0.171 1.00 0.00 H +ATOM 111 HD1 TRP A 6 2.344 0.600 -1.918 1.00 0.00 H +ATOM 112 HE1 TRP A 6 4.399 0.465 -0.330 1.00 0.00 H +ATOM 113 HE3 TRP A 6 -0.073 0.449 2.593 1.00 0.00 H +ATOM 114 HZ2 TRP A 6 4.906 0.339 2.439 1.00 0.00 H +ATOM 115 HZ3 TRP A 6 1.239 0.310 4.706 1.00 0.00 H +ATOM 116 HH2 TRP A 6 3.716 0.279 4.647 1.00 0.00 H +ATOM 117 N LEU A 7 -1.531 -1.946 0.950 1.00 0.00 N +ATOM 118 CA LEU A 7 -1.587 -3.012 1.954 1.00 0.00 C +ATOM 119 C LEU A 7 -1.883 -4.387 1.338 1.00 0.00 C +ATOM 120 O LEU A 7 -1.259 -5.363 1.752 1.00 0.00 O +ATOM 121 CB LEU A 7 -2.605 -2.670 3.056 1.00 0.00 C +ATOM 122 CG LEU A 7 -2.118 -1.596 4.051 1.00 0.00 C +ATOM 123 CD1 LEU A 7 -3.255 -1.244 5.014 1.00 0.00 C +ATOM 124 CD2 LEU A 7 -0.920 -2.061 4.892 1.00 0.00 C +ATOM 125 H LEU A 7 -2.264 -1.238 0.941 1.00 0.00 H +ATOM 126 HA LEU A 7 -0.599 -3.102 2.404 1.00 0.00 H +ATOM 127 HB2 LEU A 7 -3.502 -2.314 2.587 1.00 0.00 H +ATOM 128 HB3 LEU A 7 -2.828 -3.576 3.621 1.00 0.00 H +ATOM 129 HG LEU A 7 -1.835 -0.698 3.507 1.00 0.00 H +ATOM 130 HD11 LEU A 7 -4.107 -0.863 4.451 1.00 0.00 H +ATOM 131 HD12 LEU A 7 -3.559 -2.129 5.572 1.00 0.00 H +ATOM 132 HD13 LEU A 7 -2.924 -0.478 5.716 1.00 0.00 H +ATOM 133 HD21 LEU A 7 -1.159 -2.994 5.401 1.00 0.00 H +ATOM 134 HD22 LEU A 7 -0.046 -2.207 4.261 1.00 0.00 H +ATOM 135 HD23 LEU A 7 -0.673 -1.303 5.635 1.00 0.00 H +ATOM 136 N LYS A 8 -2.772 -4.477 0.334 1.00 0.00 N +ATOM 137 CA LYS A 8 -3.105 -5.716 -0.398 1.00 0.00 C +ATOM 138 C LYS A 8 -1.879 -6.425 -0.982 1.00 0.00 C +ATOM 139 O LYS A 8 -1.855 -7.653 -0.986 1.00 0.00 O +ATOM 140 CB LYS A 8 -4.125 -5.413 -1.517 1.00 0.00 C +ATOM 141 CG LYS A 8 -5.509 -6.032 -1.296 1.00 0.00 C +ATOM 142 CD LYS A 8 -5.571 -7.539 -1.610 1.00 0.00 C +ATOM 143 CE LYS A 8 -6.790 -7.876 -2.484 1.00 0.00 C +ATOM 144 NZ LYS A 8 -6.467 -7.814 -3.931 1.00 0.00 N +ATOM 145 H LYS A 8 -3.262 -3.623 0.071 1.00 0.00 H +ATOM 146 HA LYS A 8 -3.545 -6.418 0.311 1.00 0.00 H +ATOM 147 HB2 LYS A 8 -4.241 -4.349 -1.587 1.00 0.00 H +ATOM 148 HB3 LYS A 8 -3.737 -5.743 -2.483 1.00 0.00 H +ATOM 149 HG2 LYS A 8 -5.784 -5.888 -0.269 1.00 0.00 H +ATOM 150 HG3 LYS A 8 -6.212 -5.498 -1.938 1.00 0.00 H +ATOM 151 HD2 LYS A 8 -4.677 -7.825 -2.131 1.00 0.00 H +ATOM 152 HD3 LYS A 8 -5.653 -8.084 -0.669 1.00 0.00 H +ATOM 153 HE2 LYS A 8 -7.125 -8.867 -2.245 1.00 0.00 H +ATOM 154 HE3 LYS A 8 -7.598 -7.177 -2.246 1.00 0.00 H +ATOM 155 HZ1 LYS A 8 -6.123 -6.897 -4.179 1.00 0.00 H +ATOM 156 HZ2 LYS A 8 -5.753 -8.496 -4.155 1.00 0.00 H +ATOM 157 HZ3 LYS A 8 -7.289 -8.017 -4.487 1.00 0.00 H +ATOM 158 N ASP A 9 -0.876 -5.673 -1.449 1.00 0.00 N +ATOM 159 CA ASP A 9 0.398 -6.223 -1.930 1.00 0.00 C +ATOM 160 C ASP A 9 1.311 -6.762 -0.805 1.00 0.00 C +ATOM 161 O ASP A 9 2.203 -7.564 -1.082 1.00 0.00 O +ATOM 162 CB ASP A 9 1.147 -5.144 -2.731 1.00 0.00 C +ATOM 163 CG ASP A 9 0.467 -4.801 -4.061 1.00 0.00 C +ATOM 164 OD1 ASP A 9 0.157 -5.754 -4.813 1.00 0.00 O +ATOM 165 OD2 ASP A 9 0.290 -3.591 -4.324 1.00 0.00 O +ATOM 166 H ASP A 9 -1.030 -4.670 -1.499 1.00 0.00 H +ATOM 167 HA ASP A 9 0.195 -7.060 -2.600 1.00 0.00 H +ATOM 168 HB2 ASP A 9 1.201 -4.253 -2.136 1.00 0.00 H +ATOM 169 HB3 ASP A 9 2.152 -5.505 -2.957 1.00 0.00 H +ATOM 170 N GLY A 10 1.096 -6.352 0.456 1.00 0.00 N +ATOM 171 CA GLY A 10 1.939 -6.705 1.606 1.00 0.00 C +ATOM 172 C GLY A 10 2.565 -5.512 2.347 1.00 0.00 C +ATOM 173 O GLY A 10 3.435 -5.730 3.206 1.00 0.00 O +ATOM 174 H GLY A 10 0.261 -5.800 0.631 1.00 0.00 H +ATOM 175 HA2 GLY A 10 1.326 -7.256 2.320 1.00 0.00 H +ATOM 176 HA3 GLY A 10 2.746 -7.365 1.289 1.00 0.00 H +ATOM 177 N GLY A 11 2.176 -4.272 2.029 1.00 0.00 N +ATOM 178 CA GLY A 11 2.626 -3.057 2.710 1.00 0.00 C +ATOM 179 C GLY A 11 4.158 -2.915 2.747 1.00 0.00 C +ATOM 180 O GLY A 11 4.789 -2.963 1.691 1.00 0.00 O +ATOM 181 H GLY A 11 1.547 -4.148 1.241 1.00 0.00 H +ATOM 182 HA2 GLY A 11 2.223 -2.195 2.180 1.00 0.00 H +ATOM 183 HA3 GLY A 11 2.209 -3.058 3.715 1.00 0.00 H +ATOM 184 N PRO A 12 4.800 -2.763 3.930 1.00 0.00 N +ATOM 185 CA PRO A 12 6.259 -2.630 4.030 1.00 0.00 C +ATOM 186 C PRO A 12 7.037 -3.777 3.366 1.00 0.00 C +ATOM 187 O PRO A 12 8.146 -3.571 2.879 1.00 0.00 O +ATOM 188 CB PRO A 12 6.578 -2.563 5.529 1.00 0.00 C +ATOM 189 CG PRO A 12 5.267 -2.123 6.174 1.00 0.00 C +ATOM 190 CD PRO A 12 4.203 -2.726 5.258 1.00 0.00 C +ATOM 191 HA PRO A 12 6.554 -1.691 3.560 1.00 0.00 H +ATOM 192 HB2 PRO A 12 6.879 -3.525 5.897 1.00 0.00 H +ATOM 193 HB3 PRO A 12 7.381 -1.855 5.734 1.00 0.00 H +ATOM 194 HG2 PRO A 12 5.180 -2.511 7.171 1.00 0.00 H +ATOM 195 HG3 PRO A 12 5.195 -1.035 6.150 1.00 0.00 H +ATOM 196 HD2 PRO A 12 3.949 -3.717 5.582 1.00 0.00 H +ATOM 197 HD3 PRO A 12 3.303 -2.112 5.287 1.00 0.00 H +ATOM 198 N SER A 13 6.444 -4.979 3.307 1.00 0.00 N +ATOM 199 CA SER A 13 7.043 -6.156 2.670 1.00 0.00 C +ATOM 200 C SER A 13 6.983 -6.137 1.130 1.00 0.00 C +ATOM 201 O SER A 13 7.548 -7.021 0.494 1.00 0.00 O +ATOM 202 CB SER A 13 6.428 -7.435 3.253 1.00 0.00 C +ATOM 203 OG SER A 13 5.089 -7.644 2.842 1.00 0.00 O +ATOM 204 H SER A 13 5.500 -5.052 3.666 1.00 0.00 H +ATOM 205 HA SER A 13 8.101 -6.173 2.933 1.00 0.00 H +ATOM 206 HB2 SER A 13 7.018 -8.273 2.935 1.00 0.00 H +ATOM 207 HB3 SER A 13 6.467 -7.386 4.343 1.00 0.00 H +ATOM 208 HG SER A 13 4.507 -6.893 3.104 1.00 0.00 H +ATOM 209 N SER A 14 6.343 -5.125 0.518 1.00 0.00 N +ATOM 210 CA SER A 14 6.214 -4.963 -0.941 1.00 0.00 C +ATOM 211 C SER A 14 7.325 -4.127 -1.595 1.00 0.00 C +ATOM 212 O SER A 14 7.306 -3.936 -2.809 1.00 0.00 O +ATOM 213 CB SER A 14 4.882 -4.280 -1.265 1.00 0.00 C +ATOM 214 OG SER A 14 3.823 -4.982 -0.663 1.00 0.00 O +ATOM 215 H SER A 14 5.902 -4.413 1.097 1.00 0.00 H +ATOM 216 HA SER A 14 6.217 -5.946 -1.415 1.00 0.00 H +ATOM 217 HB2 SER A 14 4.899 -3.274 -0.893 1.00 0.00 H +ATOM 218 HB3 SER A 14 4.731 -4.256 -2.345 1.00 0.00 H +ATOM 219 HG SER A 14 4.199 -5.674 -0.113 1.00 0.00 H +ATOM 220 N GLY A 15 8.258 -3.554 -0.822 1.00 0.00 N +ATOM 221 CA GLY A 15 9.356 -2.717 -1.330 1.00 0.00 C +ATOM 222 C GLY A 15 8.956 -1.287 -1.733 1.00 0.00 C +ATOM 223 O GLY A 15 9.753 -0.366 -1.564 1.00 0.00 O +ATOM 224 H GLY A 15 8.204 -3.723 0.175 1.00 0.00 H +ATOM 225 HA2 GLY A 15 10.135 -2.654 -0.570 1.00 0.00 H +ATOM 226 HA3 GLY A 15 9.789 -3.199 -2.207 1.00 0.00 H +ATOM 227 N ARG A 16 7.740 -1.078 -2.255 1.00 0.00 N +ATOM 228 CA ARG A 16 7.196 0.244 -2.606 1.00 0.00 C +ATOM 229 C ARG A 16 6.800 1.026 -1.334 1.00 0.00 C +ATOM 230 O ARG A 16 6.153 0.438 -0.465 1.00 0.00 O +ATOM 231 CB ARG A 16 6.004 0.043 -3.562 1.00 0.00 C +ATOM 232 CG ARG A 16 5.598 1.337 -4.286 1.00 0.00 C +ATOM 233 CD ARG A 16 4.649 1.070 -5.464 1.00 0.00 C +ATOM 234 NE ARG A 16 5.376 0.549 -6.647 1.00 0.00 N +ATOM 235 CZ ARG A 16 5.988 1.239 -7.584 1.00 0.00 C +ATOM 236 NH1 ARG A 16 6.011 2.568 -7.581 1.00 0.00 N +ATOM 237 NH2 ARG A 16 6.613 0.642 -8.574 1.00 0.00 N +ATOM 238 H ARG A 16 7.177 -1.909 -2.406 1.00 0.00 H +ATOM 239 HA ARG A 16 7.984 0.785 -3.128 1.00 0.00 H +ATOM 240 HB2 ARG A 16 6.273 -0.691 -4.297 1.00 0.00 H +ATOM 241 HB3 ARG A 16 5.146 -0.347 -3.007 1.00 0.00 H +ATOM 242 HG2 ARG A 16 5.106 1.985 -3.586 1.00 0.00 H +ATOM 243 HG3 ARG A 16 6.488 1.833 -4.670 1.00 0.00 H +ATOM 244 HD2 ARG A 16 3.914 0.349 -5.162 1.00 0.00 H +ATOM 245 HD3 ARG A 16 4.142 2.000 -5.728 1.00 0.00 H +ATOM 246 HE ARG A 16 5.404 -0.458 -6.736 1.00 0.00 H +ATOM 247 HH11 ARG A 16 5.535 3.037 -6.833 1.00 0.00 H +ATOM 248 HH12 ARG A 16 6.471 3.081 -8.301 1.00 0.00 H +ATOM 249 HH21 ARG A 16 6.628 -0.366 -8.623 1.00 0.00 H +ATOM 250 HH22 ARG A 16 7.076 1.176 -9.280 1.00 0.00 H +ATOM 251 N PRO A 17 7.126 2.330 -1.200 1.00 0.00 N +ATOM 252 CA PRO A 17 6.809 3.113 0.002 1.00 0.00 C +ATOM 253 C PRO A 17 5.294 3.369 0.169 1.00 0.00 C +ATOM 254 O PRO A 17 4.551 3.273 -0.812 1.00 0.00 O +ATOM 255 CB PRO A 17 7.588 4.425 -0.160 1.00 0.00 C +ATOM 256 CG PRO A 17 7.688 4.594 -1.672 1.00 0.00 C +ATOM 257 CD PRO A 17 7.850 3.156 -2.157 1.00 0.00 C +ATOM 258 HA PRO A 17 7.177 2.582 0.880 1.00 0.00 H +ATOM 259 HB2 PRO A 17 7.056 5.245 0.283 1.00 0.00 H +ATOM 260 HB3 PRO A 17 8.589 4.309 0.258 1.00 0.00 H +ATOM 261 HG2 PRO A 17 6.798 5.040 -2.072 1.00 0.00 H +ATOM 262 HG3 PRO A 17 8.535 5.216 -1.960 1.00 0.00 H +ATOM 263 HD2 PRO A 17 7.432 3.044 -3.139 1.00 0.00 H +ATOM 264 HD3 PRO A 17 8.905 2.879 -2.151 1.00 0.00 H +ATOM 265 N PRO A 18 4.828 3.720 1.386 1.00 0.00 N +ATOM 266 CA PRO A 18 3.415 3.979 1.661 1.00 0.00 C +ATOM 267 C PRO A 18 2.921 5.257 0.956 1.00 0.00 C +ATOM 268 O PRO A 18 3.633 6.262 0.960 1.00 0.00 O +ATOM 269 CB PRO A 18 3.307 4.111 3.185 1.00 0.00 C +ATOM 270 CG PRO A 18 4.701 4.568 3.609 1.00 0.00 C +ATOM 271 CD PRO A 18 5.614 3.867 2.605 1.00 0.00 C +ATOM 272 HA PRO A 18 2.830 3.121 1.340 1.00 0.00 H +ATOM 273 HB2 PRO A 18 2.567 4.840 3.454 1.00 0.00 H +ATOM 274 HB3 PRO A 18 3.099 3.135 3.621 1.00 0.00 H +ATOM 275 HG2 PRO A 18 4.796 5.634 3.537 1.00 0.00 H +ATOM 276 HG3 PRO A 18 4.929 4.279 4.636 1.00 0.00 H +ATOM 277 HD2 PRO A 18 6.488 4.461 2.417 1.00 0.00 H +ATOM 278 HD3 PRO A 18 5.884 2.880 2.982 1.00 0.00 H +ATOM 279 N PRO A 19 1.704 5.254 0.376 1.00 0.00 N +ATOM 280 CA PRO A 19 1.131 6.433 -0.268 1.00 0.00 C +ATOM 281 C PRO A 19 0.578 7.422 0.772 1.00 0.00 C +ATOM 282 O PRO A 19 -0.096 7.022 1.725 1.00 0.00 O +ATOM 283 CB PRO A 19 0.032 5.878 -1.180 1.00 0.00 C +ATOM 284 CG PRO A 19 -0.464 4.639 -0.433 1.00 0.00 C +ATOM 285 CD PRO A 19 0.792 4.121 0.270 1.00 0.00 C +ATOM 286 HA PRO A 19 1.886 6.934 -0.875 1.00 0.00 H +ATOM 287 HB2 PRO A 19 -0.759 6.592 -1.305 1.00 0.00 H +ATOM 288 HB3 PRO A 19 0.474 5.572 -2.129 1.00 0.00 H +ATOM 289 HG2 PRO A 19 -1.223 4.899 0.279 1.00 0.00 H +ATOM 290 HG3 PRO A 19 -0.879 3.897 -1.115 1.00 0.00 H +ATOM 291 HD2 PRO A 19 0.545 3.752 1.247 1.00 0.00 H +ATOM 292 HD3 PRO A 19 1.257 3.344 -0.337 1.00 0.00 H +ATOM 293 N SER A 20 0.825 8.716 0.549 1.00 0.00 N +ATOM 294 CA SER A 20 0.360 9.847 1.362 1.00 0.00 C +ATOM 295 C SER A 20 -0.255 10.948 0.496 1.00 0.00 C +ATOM 296 O SER A 20 0.173 11.092 -0.672 1.00 0.00 O +ATOM 297 CB SER A 20 1.496 10.383 2.241 1.00 0.00 C +ATOM 298 OG SER A 20 2.667 10.641 1.485 1.00 0.00 O +ATOM 299 OXT SER A 20 -1.188 11.592 1.023 1.00 0.00 O +ATOM 300 H SER A 20 1.372 9.005 -0.251 1.00 0.00 H +ATOM 301 HA SER A 20 -0.439 9.514 2.020 1.00 0.00 H +ATOM 302 HB2 SER A 20 1.175 11.295 2.707 1.00 0.00 H +ATOM 303 HB3 SER A 20 1.726 9.639 3.008 1.00 0.00 H +ATOM 304 HG SER A 20 3.313 11.084 2.036 1.00 0.00 H +TER 305 SER A 20 +ENDMDL +MODEL 32 +ATOM 1 N ASN A 1 -6.852 6.802 0.784 1.00 0.00 N +ATOM 2 CA ASN A 1 -7.569 5.905 -0.155 1.00 0.00 C +ATOM 3 C ASN A 1 -6.675 4.784 -0.685 1.00 0.00 C +ATOM 4 O ASN A 1 -6.907 3.637 -0.312 1.00 0.00 O +ATOM 5 CB ASN A 1 -8.306 6.688 -1.259 1.00 0.00 C +ATOM 6 CG ASN A 1 -9.658 7.144 -0.720 1.00 0.00 C +ATOM 7 OD1 ASN A 1 -10.402 6.342 -0.185 1.00 0.00 O +ATOM 8 ND2 ASN A 1 -9.997 8.418 -0.771 1.00 0.00 N +ATOM 9 H1 ASN A 1 -6.406 6.262 1.512 1.00 0.00 H +ATOM 10 H2 ASN A 1 -6.150 7.342 0.294 1.00 0.00 H +ATOM 11 H3 ASN A 1 -7.507 7.441 1.214 1.00 0.00 H +ATOM 12 HA ASN A 1 -8.341 5.383 0.416 1.00 0.00 H +ATOM 13 HB2 ASN A 1 -7.724 7.543 -1.544 1.00 0.00 H +ATOM 14 HB3 ASN A 1 -8.496 6.032 -2.110 1.00 0.00 H +ATOM 15 HD21 ASN A 1 -9.452 9.144 -1.207 1.00 0.00 H +ATOM 16 HD22 ASN A 1 -10.916 8.601 -0.396 1.00 0.00 H +ATOM 17 N LEU A 2 -5.641 5.081 -1.489 1.00 0.00 N +ATOM 18 CA LEU A 2 -4.771 4.070 -2.118 1.00 0.00 C +ATOM 19 C LEU A 2 -4.066 3.118 -1.122 1.00 0.00 C +ATOM 20 O LEU A 2 -3.610 2.044 -1.507 1.00 0.00 O +ATOM 21 CB LEU A 2 -3.736 4.788 -3.009 1.00 0.00 C +ATOM 22 CG LEU A 2 -3.207 3.896 -4.155 1.00 0.00 C +ATOM 23 CD1 LEU A 2 -4.121 3.970 -5.385 1.00 0.00 C +ATOM 24 CD2 LEU A 2 -1.783 4.286 -4.551 1.00 0.00 C +ATOM 25 H LEU A 2 -5.488 6.032 -1.793 1.00 0.00 H +ATOM 26 HA LEU A 2 -5.401 3.449 -2.761 1.00 0.00 H +ATOM 27 HB2 LEU A 2 -4.197 5.657 -3.437 1.00 0.00 H +ATOM 28 HB3 LEU A 2 -2.911 5.107 -2.379 1.00 0.00 H +ATOM 29 HG LEU A 2 -3.172 2.861 -3.826 1.00 0.00 H +ATOM 30 HD11 LEU A 2 -5.104 4.362 -5.124 1.00 0.00 H +ATOM 31 HD12 LEU A 2 -3.683 4.602 -6.157 1.00 0.00 H +ATOM 32 HD13 LEU A 2 -4.253 2.966 -5.790 1.00 0.00 H +ATOM 33 HD21 LEU A 2 -1.718 5.358 -4.736 1.00 0.00 H +ATOM 34 HD22 LEU A 2 -1.099 4.008 -3.752 1.00 0.00 H +ATOM 35 HD23 LEU A 2 -1.488 3.743 -5.449 1.00 0.00 H +ATOM 36 N TYR A 3 -4.017 3.470 0.169 1.00 0.00 N +ATOM 37 CA TYR A 3 -3.452 2.660 1.248 1.00 0.00 C +ATOM 38 C TYR A 3 -4.002 1.221 1.271 1.00 0.00 C +ATOM 39 O TYR A 3 -3.253 0.284 1.527 1.00 0.00 O +ATOM 40 CB TYR A 3 -3.690 3.373 2.590 1.00 0.00 C +ATOM 41 CG TYR A 3 -2.578 3.161 3.597 1.00 0.00 C +ATOM 42 CD1 TYR A 3 -2.514 1.966 4.339 1.00 0.00 C +ATOM 43 CD2 TYR A 3 -1.601 4.161 3.787 1.00 0.00 C +ATOM 44 CE1 TYR A 3 -1.479 1.768 5.270 1.00 0.00 C +ATOM 45 CE2 TYR A 3 -0.567 3.969 4.722 1.00 0.00 C +ATOM 46 CZ TYR A 3 -0.503 2.769 5.464 1.00 0.00 C +ATOM 47 OH TYR A 3 0.485 2.574 6.378 1.00 0.00 O +ATOM 48 H TYR A 3 -4.399 4.368 0.410 1.00 0.00 H +ATOM 49 HA TYR A 3 -2.376 2.600 1.088 1.00 0.00 H +ATOM 50 HB2 TYR A 3 -3.782 4.426 2.403 1.00 0.00 H +ATOM 51 HB3 TYR A 3 -4.635 3.037 3.021 1.00 0.00 H +ATOM 52 HD1 TYR A 3 -3.259 1.196 4.191 1.00 0.00 H +ATOM 53 HD2 TYR A 3 -1.635 5.081 3.217 1.00 0.00 H +ATOM 54 HE1 TYR A 3 -1.416 0.856 5.843 1.00 0.00 H +ATOM 55 HE2 TYR A 3 0.180 4.734 4.872 1.00 0.00 H +ATOM 56 HH TYR A 3 0.286 3.012 7.208 1.00 0.00 H +ATOM 57 N ILE A 4 -5.291 1.031 0.946 1.00 0.00 N +ATOM 58 CA ILE A 4 -5.931 -0.293 0.853 1.00 0.00 C +ATOM 59 C ILE A 4 -5.280 -1.132 -0.262 1.00 0.00 C +ATOM 60 O ILE A 4 -4.975 -2.308 -0.057 1.00 0.00 O +ATOM 61 CB ILE A 4 -7.452 -0.139 0.612 1.00 0.00 C +ATOM 62 CG1 ILE A 4 -8.150 0.694 1.716 1.00 0.00 C +ATOM 63 CG2 ILE A 4 -8.133 -1.519 0.519 1.00 0.00 C +ATOM 64 CD1 ILE A 4 -9.405 1.406 1.195 1.00 0.00 C +ATOM 65 H ILE A 4 -5.843 1.851 0.722 1.00 0.00 H +ATOM 66 HA ILE A 4 -5.780 -0.822 1.794 1.00 0.00 H +ATOM 67 HB ILE A 4 -7.585 0.372 -0.343 1.00 0.00 H +ATOM 68 HG12 ILE A 4 -8.432 0.039 2.518 1.00 0.00 H +ATOM 69 HG13 ILE A 4 -7.485 1.468 2.099 1.00 0.00 H +ATOM 70 HG21 ILE A 4 -7.763 -2.077 -0.343 1.00 0.00 H +ATOM 71 HG22 ILE A 4 -7.934 -2.097 1.423 1.00 0.00 H +ATOM 72 HG23 ILE A 4 -9.211 -1.406 0.405 1.00 0.00 H +ATOM 73 HD11 ILE A 4 -9.143 2.050 0.354 1.00 0.00 H +ATOM 74 HD12 ILE A 4 -10.152 0.681 0.875 1.00 0.00 H +ATOM 75 HD13 ILE A 4 -9.826 2.022 1.989 1.00 0.00 H +ATOM 76 N GLN A 5 -5.043 -0.527 -1.433 1.00 0.00 N +ATOM 77 CA GLN A 5 -4.319 -1.165 -2.532 1.00 0.00 C +ATOM 78 C GLN A 5 -2.856 -1.426 -2.147 1.00 0.00 C +ATOM 79 O GLN A 5 -2.382 -2.537 -2.342 1.00 0.00 O +ATOM 80 CB GLN A 5 -4.432 -0.330 -3.822 1.00 0.00 C +ATOM 81 CG GLN A 5 -5.812 -0.453 -4.498 1.00 0.00 C +ATOM 82 CD GLN A 5 -6.574 0.869 -4.544 1.00 0.00 C +ATOM 83 OE1 GLN A 5 -6.511 1.619 -5.500 1.00 0.00 O +ATOM 84 NE2 GLN A 5 -7.337 1.205 -3.520 1.00 0.00 N +ATOM 85 H GLN A 5 -5.183 0.474 -1.483 1.00 0.00 H +ATOM 86 HA GLN A 5 -4.763 -2.143 -2.723 1.00 0.00 H +ATOM 87 HB2 GLN A 5 -4.261 0.701 -3.579 1.00 0.00 H +ATOM 88 HB3 GLN A 5 -3.682 -0.687 -4.528 1.00 0.00 H +ATOM 89 HG2 GLN A 5 -5.671 -0.801 -5.503 1.00 0.00 H +ATOM 90 HG3 GLN A 5 -6.424 -1.202 -3.994 1.00 0.00 H +ATOM 91 HE21 GLN A 5 -7.488 0.604 -2.731 1.00 0.00 H +ATOM 92 HE22 GLN A 5 -7.851 2.055 -3.678 1.00 0.00 H +ATOM 93 N TRP A 6 -2.161 -0.464 -1.529 1.00 0.00 N +ATOM 94 CA TRP A 6 -0.783 -0.667 -1.057 1.00 0.00 C +ATOM 95 C TRP A 6 -0.645 -1.797 -0.021 1.00 0.00 C +ATOM 96 O TRP A 6 0.314 -2.570 -0.062 1.00 0.00 O +ATOM 97 CB TRP A 6 -0.249 0.652 -0.495 1.00 0.00 C +ATOM 98 CG TRP A 6 1.135 0.570 0.072 1.00 0.00 C +ATOM 99 CD1 TRP A 6 2.275 0.562 -0.652 1.00 0.00 C +ATOM 100 CD2 TRP A 6 1.545 0.458 1.469 1.00 0.00 C +ATOM 101 NE1 TRP A 6 3.360 0.439 0.197 1.00 0.00 N +ATOM 102 CE2 TRP A 6 2.968 0.390 1.513 1.00 0.00 C +ATOM 103 CE3 TRP A 6 0.867 0.423 2.708 1.00 0.00 C +ATOM 104 CZ2 TRP A 6 3.691 0.320 2.711 1.00 0.00 C +ATOM 105 CZ3 TRP A 6 1.580 0.342 3.919 1.00 0.00 C +ATOM 106 CH2 TRP A 6 2.987 0.304 3.924 1.00 0.00 C +ATOM 107 H TRP A 6 -2.607 0.442 -1.410 1.00 0.00 H +ATOM 108 HA TRP A 6 -0.164 -0.953 -1.911 1.00 0.00 H +ATOM 109 HB2 TRP A 6 -0.245 1.376 -1.287 1.00 0.00 H +ATOM 110 HB3 TRP A 6 -0.917 0.998 0.291 1.00 0.00 H +ATOM 111 HD1 TRP A 6 2.321 0.634 -1.731 1.00 0.00 H +ATOM 112 HE1 TRP A 6 4.338 0.431 -0.094 1.00 0.00 H +ATOM 113 HE3 TRP A 6 -0.213 0.476 2.719 1.00 0.00 H +ATOM 114 HZ2 TRP A 6 4.771 0.289 2.684 1.00 0.00 H +ATOM 115 HZ3 TRP A 6 1.047 0.329 4.859 1.00 0.00 H +ATOM 116 HH2 TRP A 6 3.522 0.272 4.860 1.00 0.00 H +ATOM 117 N LEU A 7 -1.613 -1.946 0.894 1.00 0.00 N +ATOM 118 CA LEU A 7 -1.654 -3.093 1.806 1.00 0.00 C +ATOM 119 C LEU A 7 -1.835 -4.426 1.058 1.00 0.00 C +ATOM 120 O LEU A 7 -1.246 -5.420 1.478 1.00 0.00 O +ATOM 121 CB LEU A 7 -2.752 -2.898 2.866 1.00 0.00 C +ATOM 122 CG LEU A 7 -2.416 -1.848 3.943 1.00 0.00 C +ATOM 123 CD1 LEU A 7 -3.648 -1.629 4.827 1.00 0.00 C +ATOM 124 CD2 LEU A 7 -1.246 -2.272 4.838 1.00 0.00 C +ATOM 125 H LEU A 7 -2.340 -1.237 0.952 1.00 0.00 H +ATOM 126 HA LEU A 7 -0.691 -3.164 2.309 1.00 0.00 H +ATOM 127 HB2 LEU A 7 -3.651 -2.591 2.366 1.00 0.00 H +ATOM 128 HB3 LEU A 7 -2.928 -3.852 3.365 1.00 0.00 H +ATOM 129 HG LEU A 7 -2.156 -0.903 3.474 1.00 0.00 H +ATOM 130 HD11 LEU A 7 -4.482 -1.286 4.215 1.00 0.00 H +ATOM 131 HD12 LEU A 7 -3.923 -2.562 5.321 1.00 0.00 H +ATOM 132 HD13 LEU A 7 -3.435 -0.875 5.585 1.00 0.00 H +ATOM 133 HD21 LEU A 7 -1.429 -3.262 5.255 1.00 0.00 H +ATOM 134 HD22 LEU A 7 -0.321 -2.286 4.263 1.00 0.00 H +ATOM 135 HD23 LEU A 7 -1.123 -1.560 5.652 1.00 0.00 H +ATOM 136 N LYS A 8 -2.573 -4.450 -0.065 1.00 0.00 N +ATOM 137 CA LYS A 8 -2.753 -5.637 -0.920 1.00 0.00 C +ATOM 138 C LYS A 8 -1.423 -6.194 -1.444 1.00 0.00 C +ATOM 139 O LYS A 8 -1.285 -7.410 -1.532 1.00 0.00 O +ATOM 140 CB LYS A 8 -3.680 -5.295 -2.099 1.00 0.00 C +ATOM 141 CG LYS A 8 -4.298 -6.504 -2.814 1.00 0.00 C +ATOM 142 CD LYS A 8 -5.536 -7.065 -2.098 1.00 0.00 C +ATOM 143 CE LYS A 8 -6.303 -8.006 -3.036 1.00 0.00 C +ATOM 144 NZ LYS A 8 -7.007 -7.254 -4.106 1.00 0.00 N +ATOM 145 H LYS A 8 -2.995 -3.577 -0.362 1.00 0.00 H +ATOM 146 HA LYS A 8 -3.211 -6.421 -0.316 1.00 0.00 H +ATOM 147 HB2 LYS A 8 -4.480 -4.685 -1.727 1.00 0.00 H +ATOM 148 HB3 LYS A 8 -3.094 -4.770 -2.849 1.00 0.00 H +ATOM 149 HG2 LYS A 8 -4.583 -6.205 -3.804 1.00 0.00 H +ATOM 150 HG3 LYS A 8 -3.557 -7.296 -2.934 1.00 0.00 H +ATOM 151 HD2 LYS A 8 -5.227 -7.608 -1.225 1.00 0.00 H +ATOM 152 HD3 LYS A 8 -6.190 -6.253 -1.779 1.00 0.00 H +ATOM 153 HE2 LYS A 8 -5.610 -8.689 -3.488 1.00 0.00 H +ATOM 154 HE3 LYS A 8 -7.027 -8.580 -2.453 1.00 0.00 H +ATOM 155 HZ1 LYS A 8 -7.790 -6.744 -3.720 1.00 0.00 H +ATOM 156 HZ2 LYS A 8 -6.372 -6.589 -4.533 1.00 0.00 H +ATOM 157 HZ3 LYS A 8 -7.345 -7.883 -4.822 1.00 0.00 H +ATOM 158 N ASP A 9 -0.447 -5.329 -1.753 1.00 0.00 N +ATOM 159 CA ASP A 9 0.910 -5.749 -2.133 1.00 0.00 C +ATOM 160 C ASP A 9 1.670 -6.459 -0.990 1.00 0.00 C +ATOM 161 O ASP A 9 2.622 -7.186 -1.270 1.00 0.00 O +ATOM 162 CB ASP A 9 1.736 -4.535 -2.594 1.00 0.00 C +ATOM 163 CG ASP A 9 1.220 -3.854 -3.861 1.00 0.00 C +ATOM 164 OD1 ASP A 9 1.591 -4.337 -4.953 1.00 0.00 O +ATOM 165 OD2 ASP A 9 0.541 -2.814 -3.721 1.00 0.00 O +ATOM 166 H ASP A 9 -0.655 -4.337 -1.719 1.00 0.00 H +ATOM 167 HA ASP A 9 0.844 -6.450 -2.966 1.00 0.00 H +ATOM 168 HB2 ASP A 9 1.736 -3.811 -1.802 1.00 0.00 H +ATOM 169 HB3 ASP A 9 2.749 -4.874 -2.808 1.00 0.00 H +ATOM 170 N GLY A 10 1.257 -6.258 0.274 1.00 0.00 N +ATOM 171 CA GLY A 10 1.961 -6.712 1.480 1.00 0.00 C +ATOM 172 C GLY A 10 2.411 -5.586 2.425 1.00 0.00 C +ATOM 173 O GLY A 10 3.160 -5.849 3.367 1.00 0.00 O +ATOM 174 H GLY A 10 0.383 -5.760 0.408 1.00 0.00 H +ATOM 175 HA2 GLY A 10 1.304 -7.377 2.037 1.00 0.00 H +ATOM 176 HA3 GLY A 10 2.850 -7.277 1.196 1.00 0.00 H +ATOM 177 N GLY A 11 2.008 -4.326 2.183 1.00 0.00 N +ATOM 178 CA GLY A 11 2.450 -3.174 2.973 1.00 0.00 C +ATOM 179 C GLY A 11 3.980 -2.984 2.932 1.00 0.00 C +ATOM 180 O GLY A 11 4.559 -3.040 1.839 1.00 0.00 O +ATOM 181 H GLY A 11 1.456 -4.151 1.354 1.00 0.00 H +ATOM 182 HA2 GLY A 11 1.984 -2.274 2.571 1.00 0.00 H +ATOM 183 HA3 GLY A 11 2.101 -3.314 3.994 1.00 0.00 H +ATOM 184 N PRO A 12 4.665 -2.766 4.078 1.00 0.00 N +ATOM 185 CA PRO A 12 6.116 -2.537 4.125 1.00 0.00 C +ATOM 186 C PRO A 12 6.959 -3.639 3.466 1.00 0.00 C +ATOM 187 O PRO A 12 8.019 -3.357 2.912 1.00 0.00 O +ATOM 188 CB PRO A 12 6.477 -2.417 5.612 1.00 0.00 C +ATOM 189 CG PRO A 12 5.164 -2.042 6.293 1.00 0.00 C +ATOM 190 CD PRO A 12 4.110 -2.726 5.425 1.00 0.00 C +ATOM 191 HA PRO A 12 6.331 -1.590 3.630 1.00 0.00 H +ATOM 192 HB2 PRO A 12 6.847 -3.351 5.989 1.00 0.00 H +ATOM 193 HB3 PRO A 12 7.243 -1.658 5.777 1.00 0.00 H +ATOM 194 HG2 PRO A 12 5.133 -2.413 7.299 1.00 0.00 H +ATOM 195 HG3 PRO A 12 5.028 -0.961 6.254 1.00 0.00 H +ATOM 196 HD2 PRO A 12 3.922 -3.721 5.781 1.00 0.00 H +ATOM 197 HD3 PRO A 12 3.178 -2.162 5.468 1.00 0.00 H +ATOM 198 N SER A 13 6.486 -4.890 3.490 1.00 0.00 N +ATOM 199 CA SER A 13 7.202 -6.073 2.992 1.00 0.00 C +ATOM 200 C SER A 13 7.143 -6.241 1.464 1.00 0.00 C +ATOM 201 O SER A 13 7.476 -7.309 0.957 1.00 0.00 O +ATOM 202 CB SER A 13 6.669 -7.320 3.710 1.00 0.00 C +ATOM 203 OG SER A 13 6.903 -7.208 5.102 1.00 0.00 O +ATOM 204 H SER A 13 5.586 -5.054 3.924 1.00 0.00 H +ATOM 205 HA SER A 13 8.256 -5.969 3.247 1.00 0.00 H +ATOM 206 HB2 SER A 13 5.615 -7.410 3.532 1.00 0.00 H +ATOM 207 HB3 SER A 13 7.175 -8.210 3.337 1.00 0.00 H +ATOM 208 HG SER A 13 7.852 -7.195 5.257 1.00 0.00 H +ATOM 209 N SER A 14 6.739 -5.198 0.725 1.00 0.00 N +ATOM 210 CA SER A 14 6.405 -5.266 -0.708 1.00 0.00 C +ATOM 211 C SER A 14 7.371 -4.503 -1.623 1.00 0.00 C +ATOM 212 O SER A 14 7.116 -4.406 -2.826 1.00 0.00 O +ATOM 213 CB SER A 14 4.983 -4.759 -0.973 1.00 0.00 C +ATOM 214 OG SER A 14 4.134 -4.862 0.138 1.00 0.00 O +ATOM 215 H SER A 14 6.478 -4.368 1.241 1.00 0.00 H +ATOM 216 HA SER A 14 6.427 -6.311 -1.020 1.00 0.00 H +ATOM 217 HB2 SER A 14 5.039 -3.727 -1.263 1.00 0.00 H +ATOM 218 HB3 SER A 14 4.571 -5.340 -1.796 1.00 0.00 H +ATOM 219 HG SER A 14 4.313 -4.115 0.764 1.00 0.00 H +ATOM 220 N GLY A 15 8.442 -3.922 -1.059 1.00 0.00 N +ATOM 221 CA GLY A 15 9.474 -3.182 -1.792 1.00 0.00 C +ATOM 222 C GLY A 15 9.029 -1.817 -2.334 1.00 0.00 C +ATOM 223 O GLY A 15 9.636 -1.322 -3.282 1.00 0.00 O +ATOM 224 H GLY A 15 8.567 -4.078 -0.067 1.00 0.00 H +ATOM 225 HA2 GLY A 15 10.326 -3.018 -1.132 1.00 0.00 H +ATOM 226 HA3 GLY A 15 9.816 -3.786 -2.634 1.00 0.00 H +ATOM 227 N ARG A 16 7.971 -1.217 -1.769 1.00 0.00 N +ATOM 228 CA ARG A 16 7.354 0.032 -2.244 1.00 0.00 C +ATOM 229 C ARG A 16 6.844 0.894 -1.071 1.00 0.00 C +ATOM 230 O ARG A 16 6.204 0.347 -0.168 1.00 0.00 O +ATOM 231 CB ARG A 16 6.234 -0.313 -3.248 1.00 0.00 C +ATOM 232 CG ARG A 16 5.064 -1.085 -2.611 1.00 0.00 C +ATOM 233 CD ARG A 16 4.139 -1.794 -3.605 1.00 0.00 C +ATOM 234 NE ARG A 16 4.801 -2.956 -4.225 1.00 0.00 N +ATOM 235 CZ ARG A 16 5.278 -3.071 -5.455 1.00 0.00 C +ATOM 236 NH1 ARG A 16 5.210 -2.093 -6.329 1.00 0.00 N +ATOM 237 NH2 ARG A 16 5.864 -4.186 -5.822 1.00 0.00 N +ATOM 238 H ARG A 16 7.549 -1.675 -0.973 1.00 0.00 H +ATOM 239 HA ARG A 16 8.120 0.589 -2.783 1.00 0.00 H +ATOM 240 HB2 ARG A 16 5.854 0.601 -3.662 1.00 0.00 H +ATOM 241 HB3 ARG A 16 6.672 -0.909 -4.049 1.00 0.00 H +ATOM 242 HG2 ARG A 16 5.474 -1.825 -1.951 1.00 0.00 H +ATOM 243 HG3 ARG A 16 4.465 -0.382 -2.044 1.00 0.00 H +ATOM 244 HD2 ARG A 16 3.261 -2.128 -3.087 1.00 0.00 H +ATOM 245 HD3 ARG A 16 3.785 -1.084 -4.353 1.00 0.00 H +ATOM 246 HE ARG A 16 4.929 -3.770 -3.646 1.00 0.00 H +ATOM 247 HH11 ARG A 16 4.742 -1.252 -6.044 1.00 0.00 H +ATOM 248 HH12 ARG A 16 5.588 -2.189 -7.251 1.00 0.00 H +ATOM 249 HH21 ARG A 16 5.998 -4.910 -5.134 1.00 0.00 H +ATOM 250 HH22 ARG A 16 6.200 -4.304 -6.756 1.00 0.00 H +ATOM 251 N PRO A 17 7.087 2.220 -1.065 1.00 0.00 N +ATOM 252 CA PRO A 17 6.655 3.106 0.019 1.00 0.00 C +ATOM 253 C PRO A 17 5.123 3.267 0.052 1.00 0.00 C +ATOM 254 O PRO A 17 4.470 3.043 -0.971 1.00 0.00 O +ATOM 255 CB PRO A 17 7.355 4.442 -0.256 1.00 0.00 C +ATOM 256 CG PRO A 17 7.509 4.455 -1.776 1.00 0.00 C +ATOM 257 CD PRO A 17 7.758 2.986 -2.109 1.00 0.00 C +ATOM 258 HA PRO A 17 6.997 2.705 0.974 1.00 0.00 H +ATOM 259 HB2 PRO A 17 6.753 5.266 0.076 1.00 0.00 H +ATOM 260 HB3 PRO A 17 8.342 4.438 0.209 1.00 0.00 H +ATOM 261 HG2 PRO A 17 6.616 4.812 -2.251 1.00 0.00 H +ATOM 262 HG3 PRO A 17 8.338 5.087 -2.096 1.00 0.00 H +ATOM 263 HD2 PRO A 17 7.347 2.746 -3.071 1.00 0.00 H +ATOM 264 HD3 PRO A 17 8.828 2.777 -2.079 1.00 0.00 H +ATOM 265 N PRO A 18 4.537 3.673 1.196 1.00 0.00 N +ATOM 266 CA PRO A 18 3.102 3.903 1.304 1.00 0.00 C +ATOM 267 C PRO A 18 2.667 5.149 0.509 1.00 0.00 C +ATOM 268 O PRO A 18 3.454 6.085 0.353 1.00 0.00 O +ATOM 269 CB PRO A 18 2.819 4.069 2.799 1.00 0.00 C +ATOM 270 CG PRO A 18 4.134 4.621 3.345 1.00 0.00 C +ATOM 271 CD PRO A 18 5.189 3.944 2.471 1.00 0.00 C +ATOM 272 HA PRO A 18 2.575 3.028 0.934 1.00 0.00 H +ATOM 273 HB2 PRO A 18 2.014 4.759 2.964 1.00 0.00 H +ATOM 274 HB3 PRO A 18 2.618 3.095 3.244 1.00 0.00 H +ATOM 275 HG2 PRO A 18 4.176 5.688 3.241 1.00 0.00 H +ATOM 276 HG3 PRO A 18 4.266 4.380 4.399 1.00 0.00 H +ATOM 277 HD2 PRO A 18 6.030 4.595 2.329 1.00 0.00 H +ATOM 278 HD3 PRO A 18 5.495 3.002 2.927 1.00 0.00 H +ATOM 279 N PRO A 19 1.416 5.184 0.020 1.00 0.00 N +ATOM 280 CA PRO A 19 0.856 6.338 -0.670 1.00 0.00 C +ATOM 281 C PRO A 19 0.274 7.370 0.308 1.00 0.00 C +ATOM 282 O PRO A 19 -0.285 7.006 1.346 1.00 0.00 O +ATOM 283 CB PRO A 19 -0.241 5.744 -1.552 1.00 0.00 C +ATOM 284 CG PRO A 19 -0.772 4.583 -0.706 1.00 0.00 C +ATOM 285 CD PRO A 19 0.476 4.073 0.003 1.00 0.00 C +ATOM 286 HA PRO A 19 1.613 6.813 -1.296 1.00 0.00 H +ATOM 287 HB2 PRO A 19 -1.012 6.464 -1.746 1.00 0.00 H +ATOM 288 HB3 PRO A 19 0.214 5.358 -2.465 1.00 0.00 H +ATOM 289 HG2 PRO A 19 -1.504 4.924 0.000 1.00 0.00 H +ATOM 290 HG3 PRO A 19 -1.221 3.803 -1.320 1.00 0.00 H +ATOM 291 HD2 PRO A 19 0.238 3.772 1.005 1.00 0.00 H +ATOM 292 HD3 PRO A 19 0.911 3.257 -0.574 1.00 0.00 H +ATOM 293 N SER A 20 0.317 8.642 -0.115 1.00 0.00 N +ATOM 294 CA SER A 20 -0.113 9.835 0.640 1.00 0.00 C +ATOM 295 C SER A 20 0.639 10.031 1.968 1.00 0.00 C +ATOM 296 O SER A 20 0.066 10.720 2.840 1.00 0.00 O +ATOM 297 CB SER A 20 -1.636 9.826 0.849 1.00 0.00 C +ATOM 298 OG SER A 20 -2.305 9.711 -0.395 1.00 0.00 O +ATOM 299 OXT SER A 20 1.796 9.565 2.056 1.00 0.00 O +ATOM 300 H SER A 20 0.838 8.806 -0.960 1.00 0.00 H +ATOM 301 HA SER A 20 0.140 10.716 0.055 1.00 0.00 H +ATOM 302 HB2 SER A 20 -1.902 8.994 1.472 1.00 0.00 H +ATOM 303 HB3 SER A 20 -1.934 10.755 1.339 1.00 0.00 H +ATOM 304 HG SER A 20 -1.851 10.287 -1.014 1.00 0.00 H +TER 305 SER A 20 +ENDMDL +MODEL 33 +ATOM 1 N ASN A 1 -9.696 2.810 -1.214 1.00 0.00 N +ATOM 2 CA ASN A 1 -8.702 3.862 -0.904 1.00 0.00 C +ATOM 3 C ASN A 1 -7.320 3.416 -1.392 1.00 0.00 C +ATOM 4 O ASN A 1 -7.058 2.216 -1.401 1.00 0.00 O +ATOM 5 CB ASN A 1 -8.682 4.180 0.603 1.00 0.00 C +ATOM 6 CG ASN A 1 -7.901 5.460 0.875 1.00 0.00 C +ATOM 7 OD1 ASN A 1 -6.683 5.431 0.961 1.00 0.00 O +ATOM 8 ND2 ASN A 1 -8.563 6.601 0.949 1.00 0.00 N +ATOM 9 H1 ASN A 1 -9.798 2.712 -2.215 1.00 0.00 H +ATOM 10 H2 ASN A 1 -9.371 1.928 -0.840 1.00 0.00 H +ATOM 11 H3 ASN A 1 -10.593 3.041 -0.806 1.00 0.00 H +ATOM 12 HA ASN A 1 -8.978 4.770 -1.442 1.00 0.00 H +ATOM 13 HB2 ASN A 1 -9.690 4.302 0.950 1.00 0.00 H +ATOM 14 HB3 ASN A 1 -8.208 3.365 1.150 1.00 0.00 H +ATOM 15 HD21 ASN A 1 -9.568 6.669 0.919 1.00 0.00 H +ATOM 16 HD22 ASN A 1 -7.997 7.418 1.129 1.00 0.00 H +ATOM 17 N LEU A 2 -6.450 4.362 -1.773 1.00 0.00 N +ATOM 18 CA LEU A 2 -5.070 4.110 -2.206 1.00 0.00 C +ATOM 19 C LEU A 2 -4.261 3.274 -1.198 1.00 0.00 C +ATOM 20 O LEU A 2 -3.535 2.363 -1.600 1.00 0.00 O +ATOM 21 CB LEU A 2 -4.351 5.440 -2.547 1.00 0.00 C +ATOM 22 CG LEU A 2 -4.514 6.597 -1.528 1.00 0.00 C +ATOM 23 CD1 LEU A 2 -3.229 7.411 -1.372 1.00 0.00 C +ATOM 24 CD2 LEU A 2 -5.623 7.572 -1.951 1.00 0.00 C +ATOM 25 H LEU A 2 -6.706 5.331 -1.654 1.00 0.00 H +ATOM 26 HA LEU A 2 -5.109 3.519 -3.122 1.00 0.00 H +ATOM 27 HB2 LEU A 2 -3.303 5.230 -2.636 1.00 0.00 H +ATOM 28 HB3 LEU A 2 -4.699 5.782 -3.523 1.00 0.00 H +ATOM 29 HG LEU A 2 -4.759 6.191 -0.552 1.00 0.00 H +ATOM 30 HD11 LEU A 2 -2.500 6.830 -0.816 1.00 0.00 H +ATOM 31 HD12 LEU A 2 -2.824 7.681 -2.347 1.00 0.00 H +ATOM 32 HD13 LEU A 2 -3.422 8.320 -0.800 1.00 0.00 H +ATOM 33 HD21 LEU A 2 -5.295 8.148 -2.819 1.00 0.00 H +ATOM 34 HD22 LEU A 2 -6.539 7.048 -2.209 1.00 0.00 H +ATOM 35 HD23 LEU A 2 -5.828 8.260 -1.132 1.00 0.00 H +ATOM 36 N TYR A 3 -4.415 3.532 0.107 1.00 0.00 N +ATOM 37 CA TYR A 3 -3.672 2.802 1.139 1.00 0.00 C +ATOM 38 C TYR A 3 -4.041 1.307 1.188 1.00 0.00 C +ATOM 39 O TYR A 3 -3.171 0.461 1.386 1.00 0.00 O +ATOM 40 CB TYR A 3 -3.879 3.480 2.497 1.00 0.00 C +ATOM 41 CG TYR A 3 -2.767 3.185 3.485 1.00 0.00 C +ATOM 42 CD1 TYR A 3 -2.814 2.034 4.294 1.00 0.00 C +ATOM 43 CD2 TYR A 3 -1.673 4.066 3.584 1.00 0.00 C +ATOM 44 CE1 TYR A 3 -1.769 1.770 5.202 1.00 0.00 C +ATOM 45 CE2 TYR A 3 -0.633 3.814 4.497 1.00 0.00 C +ATOM 46 CZ TYR A 3 -0.678 2.659 5.305 1.00 0.00 C +ATOM 47 OH TYR A 3 0.328 2.397 6.181 1.00 0.00 O +ATOM 48 H TYR A 3 -5.030 4.292 0.388 1.00 0.00 H +ATOM 49 HA TYR A 3 -2.611 2.866 0.893 1.00 0.00 H +ATOM 50 HB2 TYR A 3 -3.928 4.541 2.345 1.00 0.00 H +ATOM 51 HB3 TYR A 3 -4.839 3.176 2.920 1.00 0.00 H +ATOM 52 HD1 TYR A 3 -3.646 1.348 4.217 1.00 0.00 H +ATOM 53 HD2 TYR A 3 -1.623 4.947 2.966 1.00 0.00 H +ATOM 54 HE1 TYR A 3 -1.786 0.898 5.835 1.00 0.00 H +ATOM 55 HE2 TYR A 3 0.183 4.517 4.582 1.00 0.00 H +ATOM 56 HH TYR A 3 1.000 3.080 6.149 1.00 0.00 H +ATOM 57 N ILE A 4 -5.317 0.964 0.945 1.00 0.00 N +ATOM 58 CA ILE A 4 -5.797 -0.427 0.890 1.00 0.00 C +ATOM 59 C ILE A 4 -5.106 -1.182 -0.260 1.00 0.00 C +ATOM 60 O ILE A 4 -4.649 -2.312 -0.079 1.00 0.00 O +ATOM 61 CB ILE A 4 -7.343 -0.481 0.776 1.00 0.00 C +ATOM 62 CG1 ILE A 4 -8.026 0.176 2.003 1.00 0.00 C +ATOM 63 CG2 ILE A 4 -7.809 -1.944 0.634 1.00 0.00 C +ATOM 64 CD1 ILE A 4 -9.518 0.486 1.806 1.00 0.00 C +ATOM 65 H ILE A 4 -5.958 1.710 0.720 1.00 0.00 H +ATOM 66 HA ILE A 4 -5.510 -0.925 1.817 1.00 0.00 H +ATOM 67 HB ILE A 4 -7.647 0.059 -0.122 1.00 0.00 H +ATOM 68 HG12 ILE A 4 -7.929 -0.490 2.838 1.00 0.00 H +ATOM 69 HG13 ILE A 4 -7.538 1.122 2.236 1.00 0.00 H +ATOM 70 HG21 ILE A 4 -7.478 -2.358 -0.319 1.00 0.00 H +ATOM 71 HG22 ILE A 4 -7.398 -2.547 1.445 1.00 0.00 H +ATOM 72 HG23 ILE A 4 -8.894 -2.016 0.659 1.00 0.00 H +ATOM 73 HD11 ILE A 4 -9.642 1.219 1.013 1.00 0.00 H +ATOM 74 HD12 ILE A 4 -10.080 -0.412 1.556 1.00 0.00 H +ATOM 75 HD13 ILE A 4 -9.924 0.899 2.728 1.00 0.00 H +ATOM 76 N GLN A 5 -4.987 -0.542 -1.429 1.00 0.00 N +ATOM 77 CA GLN A 5 -4.265 -1.071 -2.589 1.00 0.00 C +ATOM 78 C GLN A 5 -2.780 -1.329 -2.278 1.00 0.00 C +ATOM 79 O GLN A 5 -2.258 -2.372 -2.663 1.00 0.00 O +ATOM 80 CB GLN A 5 -4.444 -0.110 -3.783 1.00 0.00 C +ATOM 81 CG GLN A 5 -5.274 -0.705 -4.937 1.00 0.00 C +ATOM 82 CD GLN A 5 -4.406 -1.168 -6.106 1.00 0.00 C +ATOM 83 OE1 GLN A 5 -3.743 -0.382 -6.761 1.00 0.00 O +ATOM 84 NE2 GLN A 5 -4.396 -2.444 -6.437 1.00 0.00 N +ATOM 85 H GLN A 5 -5.362 0.397 -1.487 1.00 0.00 H +ATOM 86 HA GLN A 5 -4.696 -2.043 -2.836 1.00 0.00 H +ATOM 87 HB2 GLN A 5 -4.937 0.777 -3.433 1.00 0.00 H +ATOM 88 HB3 GLN A 5 -3.468 0.199 -4.159 1.00 0.00 H +ATOM 89 HG2 GLN A 5 -5.827 -1.546 -4.565 1.00 0.00 H +ATOM 90 HG3 GLN A 5 -5.939 0.070 -5.317 1.00 0.00 H +ATOM 91 HE21 GLN A 5 -4.933 -3.137 -5.951 1.00 0.00 H +ATOM 92 HE22 GLN A 5 -3.802 -2.637 -7.226 1.00 0.00 H +ATOM 93 N TRP A 6 -2.110 -0.425 -1.550 1.00 0.00 N +ATOM 94 CA TRP A 6 -0.735 -0.642 -1.083 1.00 0.00 C +ATOM 95 C TRP A 6 -0.618 -1.798 -0.074 1.00 0.00 C +ATOM 96 O TRP A 6 0.284 -2.632 -0.196 1.00 0.00 O +ATOM 97 CB TRP A 6 -0.178 0.660 -0.502 1.00 0.00 C +ATOM 98 CG TRP A 6 1.220 0.560 0.030 1.00 0.00 C +ATOM 99 CD1 TRP A 6 2.344 0.499 -0.720 1.00 0.00 C +ATOM 100 CD2 TRP A 6 1.660 0.470 1.420 1.00 0.00 C +ATOM 101 NE1 TRP A 6 3.446 0.394 0.108 1.00 0.00 N +ATOM 102 CE2 TRP A 6 3.084 0.389 1.433 1.00 0.00 C +ATOM 103 CE3 TRP A 6 1.008 0.446 2.674 1.00 0.00 C +ATOM 104 CZ2 TRP A 6 3.829 0.330 2.618 1.00 0.00 C +ATOM 105 CZ3 TRP A 6 1.746 0.354 3.871 1.00 0.00 C +ATOM 106 CH2 TRP A 6 3.152 0.312 3.847 1.00 0.00 C +ATOM 107 H TRP A 6 -2.590 0.437 -1.304 1.00 0.00 H +ATOM 108 HA TRP A 6 -0.120 -0.916 -1.942 1.00 0.00 H +ATOM 109 HB2 TRP A 6 -0.189 1.403 -1.276 1.00 0.00 H +ATOM 110 HB3 TRP A 6 -0.826 1.000 0.307 1.00 0.00 H +ATOM 111 HD1 TRP A 6 2.370 0.522 -1.801 1.00 0.00 H +ATOM 112 HE1 TRP A 6 4.422 0.342 -0.195 1.00 0.00 H +ATOM 113 HE3 TRP A 6 -0.071 0.498 2.709 1.00 0.00 H +ATOM 114 HZ2 TRP A 6 4.908 0.276 2.569 1.00 0.00 H +ATOM 115 HZ3 TRP A 6 1.228 0.327 4.819 1.00 0.00 H +ATOM 116 HH2 TRP A 6 3.709 0.259 4.771 1.00 0.00 H +ATOM 117 N LEU A 7 -1.541 -1.889 0.896 1.00 0.00 N +ATOM 118 CA LEU A 7 -1.582 -3.011 1.838 1.00 0.00 C +ATOM 119 C LEU A 7 -1.783 -4.360 1.136 1.00 0.00 C +ATOM 120 O LEU A 7 -1.117 -5.321 1.517 1.00 0.00 O +ATOM 121 CB LEU A 7 -2.666 -2.803 2.908 1.00 0.00 C +ATOM 122 CG LEU A 7 -2.354 -1.713 3.950 1.00 0.00 C +ATOM 123 CD1 LEU A 7 -3.542 -1.608 4.912 1.00 0.00 C +ATOM 124 CD2 LEU A 7 -1.090 -2.018 4.764 1.00 0.00 C +ATOM 125 H LEU A 7 -2.233 -1.146 0.975 1.00 0.00 H +ATOM 126 HA LEU A 7 -0.612 -3.079 2.329 1.00 0.00 H +ATOM 127 HB2 LEU A 7 -3.578 -2.536 2.410 1.00 0.00 H +ATOM 128 HB3 LEU A 7 -2.803 -3.746 3.442 1.00 0.00 H +ATOM 129 HG LEU A 7 -2.222 -0.755 3.451 1.00 0.00 H +ATOM 130 HD11 LEU A 7 -4.453 -1.399 4.353 1.00 0.00 H +ATOM 131 HD12 LEU A 7 -3.663 -2.544 5.458 1.00 0.00 H +ATOM 132 HD13 LEU A 7 -3.376 -0.804 5.626 1.00 0.00 H +ATOM 133 HD21 LEU A 7 -1.148 -3.021 5.187 1.00 0.00 H +ATOM 134 HD22 LEU A 7 -0.210 -1.944 4.128 1.00 0.00 H +ATOM 135 HD23 LEU A 7 -0.982 -1.297 5.571 1.00 0.00 H +ATOM 136 N LYS A 8 -2.633 -4.432 0.094 1.00 0.00 N +ATOM 137 CA LYS A 8 -2.884 -5.655 -0.692 1.00 0.00 C +ATOM 138 C LYS A 8 -1.596 -6.330 -1.179 1.00 0.00 C +ATOM 139 O LYS A 8 -1.525 -7.556 -1.201 1.00 0.00 O +ATOM 140 CB LYS A 8 -3.808 -5.329 -1.882 1.00 0.00 C +ATOM 141 CG LYS A 8 -4.241 -6.587 -2.655 1.00 0.00 C +ATOM 142 CD LYS A 8 -5.060 -6.237 -3.903 1.00 0.00 C +ATOM 143 CE LYS A 8 -5.306 -7.504 -4.738 1.00 0.00 C +ATOM 144 NZ LYS A 8 -4.559 -7.485 -6.019 1.00 0.00 N +ATOM 145 H LYS A 8 -3.173 -3.595 -0.117 1.00 0.00 H +ATOM 146 HA LYS A 8 -3.386 -6.377 -0.047 1.00 0.00 H +ATOM 147 HB2 LYS A 8 -4.685 -4.834 -1.511 1.00 0.00 H +ATOM 148 HB3 LYS A 8 -3.277 -4.670 -2.567 1.00 0.00 H +ATOM 149 HG2 LYS A 8 -3.365 -7.128 -2.956 1.00 0.00 H +ATOM 150 HG3 LYS A 8 -4.835 -7.226 -2.000 1.00 0.00 H +ATOM 151 HD2 LYS A 8 -6.002 -5.819 -3.605 1.00 0.00 H +ATOM 152 HD3 LYS A 8 -4.524 -5.490 -4.491 1.00 0.00 H +ATOM 153 HE2 LYS A 8 -4.994 -8.359 -4.169 1.00 0.00 H +ATOM 154 HE3 LYS A 8 -6.379 -7.594 -4.932 1.00 0.00 H +ATOM 155 HZ1 LYS A 8 -4.868 -6.712 -6.594 1.00 0.00 H +ATOM 156 HZ2 LYS A 8 -3.566 -7.387 -5.848 1.00 0.00 H +ATOM 157 HZ3 LYS A 8 -4.715 -8.344 -6.529 1.00 0.00 H +ATOM 158 N ASP A 9 -0.590 -5.540 -1.563 1.00 0.00 N +ATOM 159 CA ASP A 9 0.696 -6.034 -2.059 1.00 0.00 C +ATOM 160 C ASP A 9 1.604 -6.602 -0.943 1.00 0.00 C +ATOM 161 O ASP A 9 2.534 -7.350 -1.236 1.00 0.00 O +ATOM 162 CB ASP A 9 1.377 -4.885 -2.828 1.00 0.00 C +ATOM 163 CG ASP A 9 2.180 -5.390 -4.029 1.00 0.00 C +ATOM 164 OD1 ASP A 9 1.517 -5.724 -5.041 1.00 0.00 O +ATOM 165 OD2 ASP A 9 3.423 -5.398 -3.944 1.00 0.00 O +ATOM 166 H ASP A 9 -0.734 -4.540 -1.523 1.00 0.00 H +ATOM 167 HA ASP A 9 0.502 -6.844 -2.765 1.00 0.00 H +ATOM 168 HB2 ASP A 9 0.622 -4.207 -3.177 1.00 0.00 H +ATOM 169 HB3 ASP A 9 2.011 -4.308 -2.158 1.00 0.00 H +ATOM 170 N GLY A 10 1.315 -6.291 0.335 1.00 0.00 N +ATOM 171 CA GLY A 10 2.125 -6.667 1.501 1.00 0.00 C +ATOM 172 C GLY A 10 2.634 -5.488 2.350 1.00 0.00 C +ATOM 173 O GLY A 10 3.490 -5.686 3.216 1.00 0.00 O +ATOM 174 H GLY A 10 0.438 -5.808 0.503 1.00 0.00 H +ATOM 175 HA2 GLY A 10 1.519 -7.303 2.147 1.00 0.00 H +ATOM 176 HA3 GLY A 10 2.993 -7.245 1.182 1.00 0.00 H +ATOM 177 N GLY A 11 2.132 -4.266 2.113 1.00 0.00 N +ATOM 178 CA GLY A 11 2.535 -3.041 2.809 1.00 0.00 C +ATOM 179 C GLY A 11 4.061 -2.833 2.842 1.00 0.00 C +ATOM 180 O GLY A 11 4.676 -2.729 1.777 1.00 0.00 O +ATOM 181 H GLY A 11 1.459 -4.179 1.364 1.00 0.00 H +ATOM 182 HA2 GLY A 11 2.091 -2.192 2.292 1.00 0.00 H +ATOM 183 HA3 GLY A 11 2.124 -3.070 3.815 1.00 0.00 H +ATOM 184 N PRO A 12 4.716 -2.764 4.022 1.00 0.00 N +ATOM 185 CA PRO A 12 6.173 -2.628 4.110 1.00 0.00 C +ATOM 186 C PRO A 12 6.953 -3.752 3.413 1.00 0.00 C +ATOM 187 O PRO A 12 8.085 -3.532 2.985 1.00 0.00 O +ATOM 188 CB PRO A 12 6.510 -2.614 5.607 1.00 0.00 C +ATOM 189 CG PRO A 12 5.200 -2.211 6.279 1.00 0.00 C +ATOM 190 CD PRO A 12 4.136 -2.801 5.356 1.00 0.00 C +ATOM 191 HA PRO A 12 6.463 -1.674 3.669 1.00 0.00 H +ATOM 192 HB2 PRO A 12 6.824 -3.586 5.936 1.00 0.00 H +ATOM 193 HB3 PRO A 12 7.309 -1.906 5.829 1.00 0.00 H +ATOM 194 HG2 PRO A 12 5.129 -2.629 7.265 1.00 0.00 H +ATOM 195 HG3 PRO A 12 5.116 -1.124 6.289 1.00 0.00 H +ATOM 196 HD2 PRO A 12 3.912 -3.811 5.640 1.00 0.00 H +ATOM 197 HD3 PRO A 12 3.224 -2.208 5.422 1.00 0.00 H +ATOM 198 N SER A 13 6.364 -4.949 3.290 1.00 0.00 N +ATOM 199 CA SER A 13 7.032 -6.120 2.719 1.00 0.00 C +ATOM 200 C SER A 13 7.005 -6.154 1.183 1.00 0.00 C +ATOM 201 O SER A 13 7.560 -7.084 0.599 1.00 0.00 O +ATOM 202 CB SER A 13 6.426 -7.399 3.310 1.00 0.00 C +ATOM 203 OG SER A 13 7.402 -8.420 3.301 1.00 0.00 O +ATOM 204 H SER A 13 5.392 -5.053 3.575 1.00 0.00 H +ATOM 205 HA SER A 13 8.080 -6.085 3.021 1.00 0.00 H +ATOM 206 HB2 SER A 13 6.109 -7.214 4.318 1.00 0.00 H +ATOM 207 HB3 SER A 13 5.557 -7.710 2.730 1.00 0.00 H +ATOM 208 HG SER A 13 7.730 -8.506 2.397 1.00 0.00 H +ATOM 209 N SER A 14 6.381 -5.157 0.538 1.00 0.00 N +ATOM 210 CA SER A 14 6.165 -5.055 -0.915 1.00 0.00 C +ATOM 211 C SER A 14 7.342 -4.457 -1.697 1.00 0.00 C +ATOM 212 O SER A 14 7.309 -4.428 -2.924 1.00 0.00 O +ATOM 213 CB SER A 14 4.964 -4.138 -1.174 1.00 0.00 C +ATOM 214 OG SER A 14 3.864 -4.511 -0.377 1.00 0.00 O +ATOM 215 H SER A 14 5.881 -4.475 1.098 1.00 0.00 H +ATOM 216 HA SER A 14 5.937 -6.042 -1.321 1.00 0.00 H +ATOM 217 HB2 SER A 14 5.238 -3.127 -0.943 1.00 0.00 H +ATOM 218 HB3 SER A 14 4.688 -4.185 -2.225 1.00 0.00 H +ATOM 219 HG SER A 14 3.188 -3.835 -0.468 1.00 0.00 H +ATOM 220 N GLY A 15 8.357 -3.909 -1.017 1.00 0.00 N +ATOM 221 CA GLY A 15 9.474 -3.213 -1.669 1.00 0.00 C +ATOM 222 C GLY A 15 9.156 -1.791 -2.160 1.00 0.00 C +ATOM 223 O GLY A 15 9.942 -1.231 -2.920 1.00 0.00 O +ATOM 224 H GLY A 15 8.341 -3.994 -0.010 1.00 0.00 H +ATOM 225 HA2 GLY A 15 10.311 -3.152 -0.976 1.00 0.00 H +ATOM 226 HA3 GLY A 15 9.800 -3.797 -2.532 1.00 0.00 H +ATOM 227 N ARG A 16 8.024 -1.197 -1.741 1.00 0.00 N +ATOM 228 CA ARG A 16 7.568 0.140 -2.156 1.00 0.00 C +ATOM 229 C ARG A 16 7.012 0.930 -0.956 1.00 0.00 C +ATOM 230 O ARG A 16 6.231 0.354 -0.196 1.00 0.00 O +ATOM 231 CB ARG A 16 6.504 -0.029 -3.256 1.00 0.00 C +ATOM 232 CG ARG A 16 6.136 1.305 -3.920 1.00 0.00 C +ATOM 233 CD ARG A 16 5.111 1.119 -5.043 1.00 0.00 C +ATOM 234 NE ARG A 16 4.902 2.373 -5.790 1.00 0.00 N +ATOM 235 CZ ARG A 16 4.118 3.394 -5.467 1.00 0.00 C +ATOM 236 NH1 ARG A 16 3.401 3.409 -4.368 1.00 0.00 N +ATOM 237 NH2 ARG A 16 4.046 4.440 -6.259 1.00 0.00 N +ATOM 238 H ARG A 16 7.441 -1.716 -1.100 1.00 0.00 H +ATOM 239 HA ARG A 16 8.423 0.671 -2.576 1.00 0.00 H +ATOM 240 HB2 ARG A 16 6.886 -0.694 -4.006 1.00 0.00 H +ATOM 241 HB3 ARG A 16 5.608 -0.485 -2.831 1.00 0.00 H +ATOM 242 HG2 ARG A 16 5.722 1.960 -3.177 1.00 0.00 H +ATOM 243 HG3 ARG A 16 7.039 1.747 -4.344 1.00 0.00 H +ATOM 244 HD2 ARG A 16 5.466 0.364 -5.719 1.00 0.00 H +ATOM 245 HD3 ARG A 16 4.167 0.759 -4.628 1.00 0.00 H +ATOM 246 HE ARG A 16 5.422 2.462 -6.647 1.00 0.00 H +ATOM 247 HH11 ARG A 16 3.504 2.647 -3.718 1.00 0.00 H +ATOM 248 HH12 ARG A 16 2.814 4.189 -4.136 1.00 0.00 H +ATOM 249 HH21 ARG A 16 4.589 4.478 -7.103 1.00 0.00 H +ATOM 250 HH22 ARG A 16 3.453 5.213 -6.014 1.00 0.00 H +ATOM 251 N PRO A 17 7.341 2.229 -0.790 1.00 0.00 N +ATOM 252 CA PRO A 17 6.828 3.050 0.313 1.00 0.00 C +ATOM 253 C PRO A 17 5.302 3.268 0.240 1.00 0.00 C +ATOM 254 O PRO A 17 4.711 3.118 -0.837 1.00 0.00 O +ATOM 255 CB PRO A 17 7.588 4.382 0.217 1.00 0.00 C +ATOM 256 CG PRO A 17 7.955 4.479 -1.259 1.00 0.00 C +ATOM 257 CD PRO A 17 8.236 3.024 -1.624 1.00 0.00 C +ATOM 258 HA PRO A 17 7.073 2.564 1.257 1.00 0.00 H +ATOM 259 HB2 PRO A 17 6.962 5.202 0.511 1.00 0.00 H +ATOM 260 HB3 PRO A 17 8.498 4.326 0.815 1.00 0.00 H +ATOM 261 HG2 PRO A 17 7.141 4.874 -1.836 1.00 0.00 H +ATOM 262 HG3 PRO A 17 8.825 5.116 -1.425 1.00 0.00 H +ATOM 263 HD2 PRO A 17 8.031 2.852 -2.663 1.00 0.00 H +ATOM 264 HD3 PRO A 17 9.270 2.778 -1.381 1.00 0.00 H +ATOM 265 N PRO A 18 4.658 3.643 1.366 1.00 0.00 N +ATOM 266 CA PRO A 18 3.221 3.898 1.414 1.00 0.00 C +ATOM 267 C PRO A 18 2.834 5.170 0.637 1.00 0.00 C +ATOM 268 O PRO A 18 3.623 6.115 0.574 1.00 0.00 O +ATOM 269 CB PRO A 18 2.872 4.023 2.901 1.00 0.00 C +ATOM 270 CG PRO A 18 4.173 4.506 3.536 1.00 0.00 C +ATOM 271 CD PRO A 18 5.248 3.833 2.686 1.00 0.00 C +ATOM 272 HA PRO A 18 2.702 3.039 0.999 1.00 0.00 H +ATOM 273 HB2 PRO A 18 2.085 4.736 3.051 1.00 0.00 H +ATOM 274 HB3 PRO A 18 2.619 3.041 3.300 1.00 0.00 H +ATOM 275 HG2 PRO A 18 4.254 5.575 3.483 1.00 0.00 H +ATOM 276 HG3 PRO A 18 4.246 4.214 4.585 1.00 0.00 H +ATOM 277 HD2 PRO A 18 6.117 4.459 2.619 1.00 0.00 H +ATOM 278 HD3 PRO A 18 5.501 2.862 3.113 1.00 0.00 H +ATOM 279 N PRO A 19 1.620 5.223 0.057 1.00 0.00 N +ATOM 280 CA PRO A 19 1.139 6.367 -0.722 1.00 0.00 C +ATOM 281 C PRO A 19 0.477 7.473 0.123 1.00 0.00 C +ATOM 282 O PRO A 19 0.201 8.545 -0.412 1.00 0.00 O +ATOM 283 CB PRO A 19 0.125 5.747 -1.684 1.00 0.00 C +ATOM 284 CG PRO A 19 -0.519 4.650 -0.831 1.00 0.00 C +ATOM 285 CD PRO A 19 0.673 4.117 -0.040 1.00 0.00 C +ATOM 286 HA PRO A 19 1.956 6.812 -1.290 1.00 0.00 H +ATOM 287 HB2 PRO A 19 -0.603 6.470 -1.999 1.00 0.00 H +ATOM 288 HB3 PRO A 19 0.651 5.295 -2.525 1.00 0.00 H +ATOM 289 HG2 PRO A 19 -1.270 5.054 -0.179 1.00 0.00 H +ATOM 290 HG3 PRO A 19 -0.979 3.875 -1.444 1.00 0.00 H +ATOM 291 HD2 PRO A 19 0.362 3.806 0.939 1.00 0.00 H +ATOM 292 HD3 PRO A 19 1.138 3.304 -0.597 1.00 0.00 H +ATOM 293 N SER A 20 0.213 7.210 1.410 1.00 0.00 N +ATOM 294 CA SER A 20 -0.379 8.118 2.401 1.00 0.00 C +ATOM 295 C SER A 20 0.477 8.085 3.667 1.00 0.00 C +ATOM 296 O SER A 20 0.871 9.175 4.129 1.00 0.00 O +ATOM 297 CB SER A 20 -1.821 7.700 2.717 1.00 0.00 C +ATOM 298 OG SER A 20 -2.657 8.835 2.780 1.00 0.00 O +ATOM 299 OXT SER A 20 0.731 6.946 4.124 1.00 0.00 O +ATOM 300 H SER A 20 0.539 6.334 1.792 1.00 0.00 H +ATOM 301 HA SER A 20 -0.376 9.140 2.021 1.00 0.00 H +ATOM 302 HB2 SER A 20 -2.175 7.041 1.948 1.00 0.00 H +ATOM 303 HB3 SER A 20 -1.844 7.173 3.675 1.00 0.00 H +ATOM 304 HG SER A 20 -3.473 8.604 3.228 1.00 0.00 H +TER 305 SER A 20 +ENDMDL +MODEL 34 +ATOM 1 N ASN A 1 -5.799 7.830 -0.622 1.00 0.00 N +ATOM 2 CA ASN A 1 -6.880 6.904 -1.045 1.00 0.00 C +ATOM 3 C ASN A 1 -6.385 5.527 -1.533 1.00 0.00 C +ATOM 4 O ASN A 1 -7.195 4.623 -1.680 1.00 0.00 O +ATOM 5 CB ASN A 1 -7.825 7.579 -2.066 1.00 0.00 C +ATOM 6 CG ASN A 1 -9.296 7.287 -1.763 1.00 0.00 C +ATOM 7 OD1 ASN A 1 -9.622 6.455 -0.932 1.00 0.00 O +ATOM 8 ND2 ASN A 1 -10.226 7.998 -2.373 1.00 0.00 N +ATOM 9 H1 ASN A 1 -5.221 7.401 0.088 1.00 0.00 H +ATOM 10 H2 ASN A 1 -5.228 8.093 -1.416 1.00 0.00 H +ATOM 11 H3 ASN A 1 -6.207 8.670 -0.235 1.00 0.00 H +ATOM 12 HA ASN A 1 -7.484 6.690 -0.160 1.00 0.00 H +ATOM 13 HB2 ASN A 1 -7.668 8.640 -2.035 1.00 0.00 H +ATOM 14 HB3 ASN A 1 -7.593 7.245 -3.078 1.00 0.00 H +ATOM 15 HD21 ASN A 1 -10.030 8.724 -3.044 1.00 0.00 H +ATOM 16 HD22 ASN A 1 -11.167 7.758 -2.108 1.00 0.00 H +ATOM 17 N LEU A 2 -5.074 5.320 -1.762 1.00 0.00 N +ATOM 18 CA LEU A 2 -4.517 4.062 -2.295 1.00 0.00 C +ATOM 19 C LEU A 2 -3.967 3.102 -1.219 1.00 0.00 C +ATOM 20 O LEU A 2 -3.428 2.045 -1.548 1.00 0.00 O +ATOM 21 CB LEU A 2 -3.448 4.425 -3.346 1.00 0.00 C +ATOM 22 CG LEU A 2 -4.051 4.779 -4.719 1.00 0.00 C +ATOM 23 CD1 LEU A 2 -3.023 5.544 -5.556 1.00 0.00 C +ATOM 24 CD2 LEU A 2 -4.473 3.517 -5.479 1.00 0.00 C +ATOM 25 H LEU A 2 -4.397 6.057 -1.657 1.00 0.00 H +ATOM 26 HA LEU A 2 -5.309 3.505 -2.795 1.00 0.00 H +ATOM 27 HB2 LEU A 2 -2.890 5.269 -2.989 1.00 0.00 H +ATOM 28 HB3 LEU A 2 -2.757 3.592 -3.484 1.00 0.00 H +ATOM 29 HG LEU A 2 -4.923 5.421 -4.583 1.00 0.00 H +ATOM 30 HD11 LEU A 2 -2.817 6.509 -5.095 1.00 0.00 H +ATOM 31 HD12 LEU A 2 -2.096 4.973 -5.628 1.00 0.00 H +ATOM 32 HD13 LEU A 2 -3.417 5.717 -6.558 1.00 0.00 H +ATOM 33 HD21 LEU A 2 -3.615 2.859 -5.616 1.00 0.00 H +ATOM 34 HD22 LEU A 2 -5.251 2.986 -4.932 1.00 0.00 H +ATOM 35 HD23 LEU A 2 -4.869 3.792 -6.456 1.00 0.00 H +ATOM 36 N TYR A 3 -4.114 3.440 0.068 1.00 0.00 N +ATOM 37 CA TYR A 3 -3.557 2.674 1.187 1.00 0.00 C +ATOM 38 C TYR A 3 -4.050 1.217 1.220 1.00 0.00 C +ATOM 39 O TYR A 3 -3.279 0.313 1.534 1.00 0.00 O +ATOM 40 CB TYR A 3 -3.871 3.401 2.505 1.00 0.00 C +ATOM 41 CG TYR A 3 -2.796 3.226 3.558 1.00 0.00 C +ATOM 42 CD1 TYR A 3 -2.742 2.051 4.335 1.00 0.00 C +ATOM 43 CD2 TYR A 3 -1.836 4.240 3.749 1.00 0.00 C +ATOM 44 CE1 TYR A 3 -1.743 1.897 5.317 1.00 0.00 C +ATOM 45 CE2 TYR A 3 -0.837 4.088 4.726 1.00 0.00 C +ATOM 46 CZ TYR A 3 -0.793 2.923 5.516 1.00 0.00 C +ATOM 47 OH TYR A 3 0.148 2.813 6.496 1.00 0.00 O +ATOM 48 H TYR A 3 -4.583 4.306 0.272 1.00 0.00 H +ATOM 49 HA TYR A 3 -2.473 2.651 1.067 1.00 0.00 H +ATOM 50 HB2 TYR A 3 -3.978 4.449 2.299 1.00 0.00 H +ATOM 51 HB3 TYR A 3 -4.828 3.055 2.899 1.00 0.00 H +ATOM 52 HD1 TYR A 3 -3.469 1.267 4.176 1.00 0.00 H +ATOM 53 HD2 TYR A 3 -1.865 5.144 3.155 1.00 0.00 H +ATOM 54 HE1 TYR A 3 -1.699 0.996 5.909 1.00 0.00 H +ATOM 55 HE2 TYR A 3 -0.106 4.866 4.894 1.00 0.00 H +ATOM 56 HH TYR A 3 -0.189 2.359 7.268 1.00 0.00 H +ATOM 57 N ILE A 4 -5.316 0.983 0.838 1.00 0.00 N +ATOM 58 CA ILE A 4 -5.917 -0.354 0.736 1.00 0.00 C +ATOM 59 C ILE A 4 -5.164 -1.204 -0.302 1.00 0.00 C +ATOM 60 O ILE A 4 -4.740 -2.313 0.009 1.00 0.00 O +ATOM 61 CB ILE A 4 -7.431 -0.260 0.419 1.00 0.00 C +ATOM 62 CG1 ILE A 4 -8.188 0.682 1.392 1.00 0.00 C +ATOM 63 CG2 ILE A 4 -8.073 -1.658 0.464 1.00 0.00 C +ATOM 64 CD1 ILE A 4 -8.662 1.967 0.703 1.00 0.00 C +ATOM 65 H ILE A 4 -5.883 1.784 0.606 1.00 0.00 H +ATOM 66 HA ILE A 4 -5.806 -0.849 1.701 1.00 0.00 H +ATOM 67 HB ILE A 4 -7.550 0.118 -0.599 1.00 0.00 H +ATOM 68 HG12 ILE A 4 -9.043 0.163 1.781 1.00 0.00 H +ATOM 69 HG13 ILE A 4 -7.554 0.946 2.240 1.00 0.00 H +ATOM 70 HG21 ILE A 4 -7.627 -2.311 -0.285 1.00 0.00 H +ATOM 71 HG22 ILE A 4 -7.939 -2.102 1.451 1.00 0.00 H +ATOM 72 HG23 ILE A 4 -9.141 -1.582 0.251 1.00 0.00 H +ATOM 73 HD11 ILE A 4 -7.826 2.470 0.218 1.00 0.00 H +ATOM 74 HD12 ILE A 4 -9.419 1.723 -0.045 1.00 0.00 H +ATOM 75 HD13 ILE A 4 -9.102 2.636 1.442 1.00 0.00 H +ATOM 76 N GLN A 5 -4.951 -0.669 -1.512 1.00 0.00 N +ATOM 77 CA GLN A 5 -4.159 -1.301 -2.575 1.00 0.00 C +ATOM 78 C GLN A 5 -2.710 -1.563 -2.137 1.00 0.00 C +ATOM 79 O GLN A 5 -2.195 -2.659 -2.357 1.00 0.00 O +ATOM 80 CB GLN A 5 -4.205 -0.425 -3.844 1.00 0.00 C +ATOM 81 CG GLN A 5 -5.431 -0.707 -4.723 1.00 0.00 C +ATOM 82 CD GLN A 5 -5.229 -1.914 -5.660 1.00 0.00 C +ATOM 83 OE1 GLN A 5 -4.748 -2.967 -5.270 1.00 0.00 O +ATOM 84 NE2 GLN A 5 -5.591 -1.783 -6.912 1.00 0.00 N +ATOM 85 H GLN A 5 -5.269 0.277 -1.662 1.00 0.00 H +ATOM 86 HA GLN A 5 -4.597 -2.273 -2.805 1.00 0.00 H +ATOM 87 HB2 GLN A 5 -4.227 0.606 -3.547 1.00 0.00 H +ATOM 88 HB3 GLN A 5 -3.305 -0.586 -4.439 1.00 0.00 H +ATOM 89 HG2 GLN A 5 -6.272 -0.904 -4.086 1.00 0.00 H +ATOM 90 HG3 GLN A 5 -5.620 0.176 -5.336 1.00 0.00 H +ATOM 91 HE21 GLN A 5 -6.009 -0.948 -7.281 1.00 0.00 H +ATOM 92 HE22 GLN A 5 -5.424 -2.601 -7.488 1.00 0.00 H +ATOM 93 N TRP A 6 -2.061 -0.590 -1.483 1.00 0.00 N +ATOM 94 CA TRP A 6 -0.707 -0.761 -0.942 1.00 0.00 C +ATOM 95 C TRP A 6 -0.625 -1.886 0.103 1.00 0.00 C +ATOM 96 O TRP A 6 0.254 -2.748 0.014 1.00 0.00 O +ATOM 97 CB TRP A 6 -0.203 0.570 -0.378 1.00 0.00 C +ATOM 98 CG TRP A 6 1.188 0.516 0.176 1.00 0.00 C +ATOM 99 CD1 TRP A 6 2.328 0.543 -0.554 1.00 0.00 C +ATOM 100 CD2 TRP A 6 1.611 0.411 1.571 1.00 0.00 C +ATOM 101 NE1 TRP A 6 3.420 0.431 0.286 1.00 0.00 N +ATOM 102 CE2 TRP A 6 3.036 0.358 1.604 1.00 0.00 C +ATOM 103 CE3 TRP A 6 0.941 0.370 2.813 1.00 0.00 C +ATOM 104 CZ2 TRP A 6 3.764 0.276 2.797 1.00 0.00 C +ATOM 105 CZ3 TRP A 6 1.660 0.285 4.021 1.00 0.00 C +ATOM 106 CH2 TRP A 6 3.067 0.241 4.016 1.00 0.00 C +ATOM 107 H TRP A 6 -2.536 0.304 -1.365 1.00 0.00 H +ATOM 108 HA TRP A 6 -0.047 -1.048 -1.761 1.00 0.00 H +ATOM 109 HB2 TRP A 6 -0.223 1.298 -1.166 1.00 0.00 H +ATOM 110 HB3 TRP A 6 -0.876 0.904 0.412 1.00 0.00 H +ATOM 111 HD1 TRP A 6 2.371 0.637 -1.631 1.00 0.00 H +ATOM 112 HE1 TRP A 6 4.399 0.438 -0.005 1.00 0.00 H +ATOM 113 HE3 TRP A 6 -0.139 0.419 2.832 1.00 0.00 H +ATOM 114 HZ2 TRP A 6 4.843 0.240 2.765 1.00 0.00 H +ATOM 115 HZ3 TRP A 6 1.130 0.269 4.964 1.00 0.00 H +ATOM 116 HH2 TRP A 6 3.612 0.191 4.946 1.00 0.00 H +ATOM 117 N LEU A 7 -1.566 -1.931 1.058 1.00 0.00 N +ATOM 118 CA LEU A 7 -1.690 -3.054 1.991 1.00 0.00 C +ATOM 119 C LEU A 7 -1.955 -4.378 1.260 1.00 0.00 C +ATOM 120 O LEU A 7 -1.318 -5.376 1.595 1.00 0.00 O +ATOM 121 CB LEU A 7 -2.786 -2.777 3.037 1.00 0.00 C +ATOM 122 CG LEU A 7 -2.391 -1.764 4.129 1.00 0.00 C +ATOM 123 CD1 LEU A 7 -3.612 -1.492 5.013 1.00 0.00 C +ATOM 124 CD2 LEU A 7 -1.258 -2.274 5.027 1.00 0.00 C +ATOM 125 H LEU A 7 -2.249 -1.176 1.107 1.00 0.00 H +ATOM 126 HA LEU A 7 -0.737 -3.180 2.499 1.00 0.00 H +ATOM 127 HB2 LEU A 7 -3.649 -2.397 2.525 1.00 0.00 H +ATOM 128 HB3 LEU A 7 -3.042 -3.717 3.527 1.00 0.00 H +ATOM 129 HG LEU A 7 -2.078 -0.829 3.669 1.00 0.00 H +ATOM 130 HD11 LEU A 7 -4.419 -1.078 4.410 1.00 0.00 H +ATOM 131 HD12 LEU A 7 -3.953 -2.420 5.476 1.00 0.00 H +ATOM 132 HD13 LEU A 7 -3.357 -0.782 5.798 1.00 0.00 H +ATOM 133 HD21 LEU A 7 -1.530 -3.234 5.465 1.00 0.00 H +ATOM 134 HD22 LEU A 7 -0.339 -2.386 4.455 1.00 0.00 H +ATOM 135 HD23 LEU A 7 -1.069 -1.559 5.827 1.00 0.00 H +ATOM 136 N LYS A 8 -2.824 -4.393 0.234 1.00 0.00 N +ATOM 137 CA LYS A 8 -3.130 -5.587 -0.573 1.00 0.00 C +ATOM 138 C LYS A 8 -1.901 -6.192 -1.263 1.00 0.00 C +ATOM 139 O LYS A 8 -1.908 -7.378 -1.579 1.00 0.00 O +ATOM 140 CB LYS A 8 -4.203 -5.259 -1.628 1.00 0.00 C +ATOM 141 CG LYS A 8 -5.048 -6.490 -2.013 1.00 0.00 C +ATOM 142 CD LYS A 8 -5.129 -6.766 -3.523 1.00 0.00 C +ATOM 143 CE LYS A 8 -3.903 -7.532 -4.050 1.00 0.00 C +ATOM 144 NZ LYS A 8 -2.952 -6.665 -4.790 1.00 0.00 N +ATOM 145 H LYS A 8 -3.348 -3.538 0.053 1.00 0.00 H +ATOM 146 HA LYS A 8 -3.517 -6.346 0.108 1.00 0.00 H +ATOM 147 HB2 LYS A 8 -4.855 -4.504 -1.233 1.00 0.00 H +ATOM 148 HB3 LYS A 8 -3.725 -4.833 -2.511 1.00 0.00 H +ATOM 149 HG2 LYS A 8 -4.619 -7.352 -1.538 1.00 0.00 H +ATOM 150 HG3 LYS A 8 -6.060 -6.319 -1.647 1.00 0.00 H +ATOM 151 HD2 LYS A 8 -6.009 -7.348 -3.720 1.00 0.00 H +ATOM 152 HD3 LYS A 8 -5.287 -5.837 -4.075 1.00 0.00 H +ATOM 153 HE2 LYS A 8 -3.389 -7.970 -3.216 1.00 0.00 H +ATOM 154 HE3 LYS A 8 -4.260 -8.327 -4.710 1.00 0.00 H +ATOM 155 HZ1 LYS A 8 -3.417 -6.219 -5.569 1.00 0.00 H +ATOM 156 HZ2 LYS A 8 -2.573 -5.948 -4.185 1.00 0.00 H +ATOM 157 HZ3 LYS A 8 -2.177 -7.215 -5.141 1.00 0.00 H +ATOM 158 N ASP A 9 -0.868 -5.389 -1.528 1.00 0.00 N +ATOM 159 CA ASP A 9 0.415 -5.850 -2.062 1.00 0.00 C +ATOM 160 C ASP A 9 1.361 -6.433 -0.997 1.00 0.00 C +ATOM 161 O ASP A 9 2.393 -7.000 -1.356 1.00 0.00 O +ATOM 162 CB ASP A 9 1.128 -4.679 -2.755 1.00 0.00 C +ATOM 163 CG ASP A 9 1.821 -5.147 -4.033 1.00 0.00 C +ATOM 164 OD1 ASP A 9 1.092 -5.500 -4.985 1.00 0.00 O +ATOM 165 OD2 ASP A 9 3.071 -5.076 -4.089 1.00 0.00 O +ATOM 166 H ASP A 9 -0.983 -4.400 -1.335 1.00 0.00 H +ATOM 167 HA ASP A 9 0.222 -6.632 -2.802 1.00 0.00 H +ATOM 168 HB2 ASP A 9 0.407 -3.924 -3.002 1.00 0.00 H +ATOM 169 HB3 ASP A 9 1.858 -4.239 -2.072 1.00 0.00 H +ATOM 170 N GLY A 10 1.065 -6.245 0.295 1.00 0.00 N +ATOM 171 CA GLY A 10 1.887 -6.698 1.422 1.00 0.00 C +ATOM 172 C GLY A 10 2.425 -5.583 2.330 1.00 0.00 C +ATOM 173 O GLY A 10 3.181 -5.881 3.256 1.00 0.00 O +ATOM 174 H GLY A 10 0.187 -5.780 0.519 1.00 0.00 H +ATOM 175 HA2 GLY A 10 1.284 -7.365 2.037 1.00 0.00 H +ATOM 176 HA3 GLY A 10 2.742 -7.268 1.059 1.00 0.00 H +ATOM 177 N GLY A 11 2.061 -4.312 2.104 1.00 0.00 N +ATOM 178 CA GLY A 11 2.490 -3.202 2.957 1.00 0.00 C +ATOM 179 C GLY A 11 4.026 -3.036 2.995 1.00 0.00 C +ATOM 180 O GLY A 11 4.652 -3.007 1.932 1.00 0.00 O +ATOM 181 H GLY A 11 1.472 -4.098 1.305 1.00 0.00 H +ATOM 182 HA2 GLY A 11 2.054 -2.278 2.582 1.00 0.00 H +ATOM 183 HA3 GLY A 11 2.093 -3.382 3.955 1.00 0.00 H +ATOM 184 N PRO A 12 4.674 -2.922 4.179 1.00 0.00 N +ATOM 185 CA PRO A 12 6.124 -2.708 4.301 1.00 0.00 C +ATOM 186 C PRO A 12 7.022 -3.877 3.833 1.00 0.00 C +ATOM 187 O PRO A 12 8.218 -3.871 4.113 1.00 0.00 O +ATOM 188 CB PRO A 12 6.391 -2.376 5.780 1.00 0.00 C +ATOM 189 CG PRO A 12 5.023 -2.264 6.447 1.00 0.00 C +ATOM 190 CD PRO A 12 4.073 -2.998 5.504 1.00 0.00 C +ATOM 191 HA PRO A 12 6.387 -1.837 3.703 1.00 0.00 H +ATOM 192 HB2 PRO A 12 6.965 -3.158 6.239 1.00 0.00 H +ATOM 193 HB3 PRO A 12 6.935 -1.434 5.867 1.00 0.00 H +ATOM 194 HG2 PRO A 12 5.033 -2.731 7.413 1.00 0.00 H +ATOM 195 HG3 PRO A 12 4.734 -1.214 6.511 1.00 0.00 H +ATOM 196 HD2 PRO A 12 3.967 -4.022 5.806 1.00 0.00 H +ATOM 197 HD3 PRO A 12 3.094 -2.523 5.547 1.00 0.00 H +ATOM 198 N SER A 13 6.477 -4.893 3.152 1.00 0.00 N +ATOM 199 CA SER A 13 7.175 -6.119 2.726 1.00 0.00 C +ATOM 200 C SER A 13 7.263 -6.275 1.201 1.00 0.00 C +ATOM 201 O SER A 13 7.639 -7.338 0.711 1.00 0.00 O +ATOM 202 CB SER A 13 6.505 -7.331 3.383 1.00 0.00 C +ATOM 203 OG SER A 13 6.754 -7.284 4.773 1.00 0.00 O +ATOM 204 H SER A 13 5.498 -4.804 2.901 1.00 0.00 H +ATOM 205 HA SER A 13 8.208 -6.093 3.078 1.00 0.00 H +ATOM 206 HB2 SER A 13 5.448 -7.301 3.204 1.00 0.00 H +ATOM 207 HB3 SER A 13 6.916 -8.258 2.983 1.00 0.00 H +ATOM 208 HG SER A 13 6.699 -6.365 5.049 1.00 0.00 H +ATOM 209 N SER A 14 6.946 -5.213 0.448 1.00 0.00 N +ATOM 210 CA SER A 14 6.719 -5.256 -1.005 1.00 0.00 C +ATOM 211 C SER A 14 7.679 -4.357 -1.805 1.00 0.00 C +ATOM 212 O SER A 14 7.475 -4.156 -3.000 1.00 0.00 O +ATOM 213 CB SER A 14 5.251 -4.902 -1.299 1.00 0.00 C +ATOM 214 OG SER A 14 4.376 -5.610 -0.441 1.00 0.00 O +ATOM 215 H SER A 14 6.585 -4.411 0.948 1.00 0.00 H +ATOM 216 HA SER A 14 6.876 -6.275 -1.359 1.00 0.00 H +ATOM 217 HB2 SER A 14 5.108 -3.848 -1.154 1.00 0.00 H +ATOM 218 HB3 SER A 14 5.023 -5.134 -2.341 1.00 0.00 H +ATOM 219 HG SER A 14 3.677 -6.081 -0.956 1.00 0.00 H +ATOM 220 N GLY A 15 8.709 -3.785 -1.159 1.00 0.00 N +ATOM 221 CA GLY A 15 9.714 -2.925 -1.800 1.00 0.00 C +ATOM 222 C GLY A 15 9.190 -1.564 -2.282 1.00 0.00 C +ATOM 223 O GLY A 15 9.812 -0.954 -3.149 1.00 0.00 O +ATOM 224 H GLY A 15 8.834 -4.046 -0.191 1.00 0.00 H +ATOM 225 HA2 GLY A 15 10.523 -2.738 -1.093 1.00 0.00 H +ATOM 226 HA3 GLY A 15 10.138 -3.448 -2.658 1.00 0.00 H +ATOM 227 N ARG A 16 8.055 -1.092 -1.742 1.00 0.00 N +ATOM 228 CA ARG A 16 7.352 0.126 -2.173 1.00 0.00 C +ATOM 229 C ARG A 16 6.879 0.975 -0.975 1.00 0.00 C +ATOM 230 O ARG A 16 6.283 0.422 -0.047 1.00 0.00 O +ATOM 231 CB ARG A 16 6.179 -0.250 -3.105 1.00 0.00 C +ATOM 232 CG ARG A 16 5.216 -1.290 -2.506 1.00 0.00 C +ATOM 233 CD ARG A 16 3.913 -1.453 -3.294 1.00 0.00 C +ATOM 234 NE ARG A 16 3.979 -2.564 -4.251 1.00 0.00 N +ATOM 235 CZ ARG A 16 4.099 -2.562 -5.568 1.00 0.00 C +ATOM 236 NH1 ARG A 16 4.326 -1.471 -6.261 1.00 0.00 N +ATOM 237 NH2 ARG A 16 3.956 -3.703 -6.191 1.00 0.00 N +ATOM 238 H ARG A 16 7.635 -1.646 -1.010 1.00 0.00 H +ATOM 239 HA ARG A 16 8.053 0.718 -2.760 1.00 0.00 H +ATOM 240 HB2 ARG A 16 5.622 0.641 -3.323 1.00 0.00 H +ATOM 241 HB3 ARG A 16 6.585 -0.650 -4.035 1.00 0.00 H +ATOM 242 HG2 ARG A 16 5.716 -2.239 -2.480 1.00 0.00 H +ATOM 243 HG3 ARG A 16 4.938 -1.000 -1.497 1.00 0.00 H +ATOM 244 HD2 ARG A 16 3.113 -1.638 -2.604 1.00 0.00 H +ATOM 245 HD3 ARG A 16 3.642 -0.518 -3.782 1.00 0.00 H +ATOM 246 HE ARG A 16 3.778 -3.506 -3.901 1.00 0.00 H +ATOM 247 HH11 ARG A 16 4.431 -0.607 -5.761 1.00 0.00 H +ATOM 248 HH12 ARG A 16 4.393 -1.513 -7.260 1.00 0.00 H +ATOM 249 HH21 ARG A 16 3.656 -4.483 -5.580 1.00 0.00 H +ATOM 250 HH22 ARG A 16 3.997 -3.809 -7.186 1.00 0.00 H +ATOM 251 N PRO A 17 7.088 2.308 -0.976 1.00 0.00 N +ATOM 252 CA PRO A 17 6.623 3.182 0.103 1.00 0.00 C +ATOM 253 C PRO A 17 5.085 3.329 0.103 1.00 0.00 C +ATOM 254 O PRO A 17 4.453 3.095 -0.930 1.00 0.00 O +ATOM 255 CB PRO A 17 7.322 4.523 -0.149 1.00 0.00 C +ATOM 256 CG PRO A 17 7.496 4.553 -1.666 1.00 0.00 C +ATOM 257 CD PRO A 17 7.747 3.086 -2.015 1.00 0.00 C +ATOM 258 HA PRO A 17 6.949 2.777 1.062 1.00 0.00 H +ATOM 259 HB2 PRO A 17 6.713 5.342 0.184 1.00 0.00 H +ATOM 260 HB3 PRO A 17 8.304 4.513 0.328 1.00 0.00 H +ATOM 261 HG2 PRO A 17 6.610 4.918 -2.148 1.00 0.00 H +ATOM 262 HG3 PRO A 17 8.331 5.187 -1.966 1.00 0.00 H +ATOM 263 HD2 PRO A 17 7.329 2.855 -2.976 1.00 0.00 H +ATOM 264 HD3 PRO A 17 8.819 2.881 -1.995 1.00 0.00 H +ATOM 265 N PRO A 18 4.472 3.730 1.236 1.00 0.00 N +ATOM 266 CA PRO A 18 3.027 3.921 1.331 1.00 0.00 C +ATOM 267 C PRO A 18 2.560 5.180 0.573 1.00 0.00 C +ATOM 268 O PRO A 18 3.278 6.182 0.545 1.00 0.00 O +ATOM 269 CB PRO A 18 2.729 4.033 2.829 1.00 0.00 C +ATOM 270 CG PRO A 18 4.024 4.603 3.406 1.00 0.00 C +ATOM 271 CD PRO A 18 5.103 3.976 2.524 1.00 0.00 C +ATOM 272 HA PRO A 18 2.530 3.041 0.935 1.00 0.00 H +ATOM 273 HB2 PRO A 18 1.904 4.696 3.008 1.00 0.00 H +ATOM 274 HB3 PRO A 18 2.555 3.040 3.241 1.00 0.00 H +ATOM 275 HG2 PRO A 18 4.040 5.673 3.332 1.00 0.00 H +ATOM 276 HG3 PRO A 18 4.152 4.336 4.455 1.00 0.00 H +ATOM 277 HD2 PRO A 18 5.931 4.649 2.412 1.00 0.00 H +ATOM 278 HD3 PRO A 18 5.423 3.028 2.956 1.00 0.00 H +ATOM 279 N PRO A 19 1.350 5.165 -0.019 1.00 0.00 N +ATOM 280 CA PRO A 19 0.784 6.306 -0.729 1.00 0.00 C +ATOM 281 C PRO A 19 0.140 7.315 0.240 1.00 0.00 C +ATOM 282 O PRO A 19 -0.739 6.964 1.032 1.00 0.00 O +ATOM 283 CB PRO A 19 -0.244 5.698 -1.684 1.00 0.00 C +ATOM 284 CG PRO A 19 -0.754 4.477 -0.918 1.00 0.00 C +ATOM 285 CD PRO A 19 0.472 4.010 -0.137 1.00 0.00 C +ATOM 286 HA PRO A 19 1.559 6.806 -1.311 1.00 0.00 H +ATOM 287 HB2 PRO A 19 -1.041 6.389 -1.882 1.00 0.00 H +ATOM 288 HB3 PRO A 19 0.259 5.368 -2.595 1.00 0.00 H +ATOM 289 HG2 PRO A 19 -1.552 4.747 -0.254 1.00 0.00 H +ATOM 290 HG3 PRO A 19 -1.111 3.700 -1.593 1.00 0.00 H +ATOM 291 HD2 PRO A 19 0.182 3.664 0.836 1.00 0.00 H +ATOM 292 HD3 PRO A 19 0.986 3.234 -0.702 1.00 0.00 H +ATOM 293 N SER A 20 0.543 8.582 0.113 1.00 0.00 N +ATOM 294 CA SER A 20 0.016 9.748 0.833 1.00 0.00 C +ATOM 295 C SER A 20 -0.159 10.912 -0.134 1.00 0.00 C +ATOM 296 O SER A 20 -1.277 11.467 -0.133 1.00 0.00 O +ATOM 297 CB SER A 20 0.963 10.142 1.970 1.00 0.00 C +ATOM 298 OG SER A 20 0.800 9.241 3.044 1.00 0.00 O +ATOM 299 OXT SER A 20 0.816 11.191 -0.866 1.00 0.00 O +ATOM 300 H SER A 20 1.245 8.811 -0.579 1.00 0.00 H +ATOM 301 HA SER A 20 -0.972 9.534 1.233 1.00 0.00 H +ATOM 302 HB2 SER A 20 1.977 10.105 1.621 1.00 0.00 H +ATOM 303 HB3 SER A 20 0.729 11.154 2.307 1.00 0.00 H +ATOM 304 HG SER A 20 -0.132 9.020 3.102 1.00 0.00 H +TER 305 SER A 20 +ENDMDL +MODEL 35 +ATOM 1 N ASN A 1 -5.868 7.107 0.465 1.00 0.00 N +ATOM 2 CA ASN A 1 -6.755 6.451 -0.528 1.00 0.00 C +ATOM 3 C ASN A 1 -6.147 5.130 -1.011 1.00 0.00 C +ATOM 4 O ASN A 1 -6.599 4.083 -0.564 1.00 0.00 O +ATOM 5 CB ASN A 1 -7.175 7.413 -1.661 1.00 0.00 C +ATOM 6 CG ASN A 1 -8.572 7.064 -2.164 1.00 0.00 C +ATOM 7 OD1 ASN A 1 -8.793 5.981 -2.676 1.00 0.00 O +ATOM 8 ND2 ASN A 1 -9.552 7.938 -2.002 1.00 0.00 N +ATOM 9 H1 ASN A 1 -5.629 6.454 1.200 1.00 0.00 H +ATOM 10 H2 ASN A 1 -5.021 7.437 0.025 1.00 0.00 H +ATOM 11 H3 ASN A 1 -6.346 7.894 0.882 1.00 0.00 H +ATOM 12 HA ASN A 1 -7.671 6.165 -0.007 1.00 0.00 H +ATOM 13 HB2 ASN A 1 -7.174 8.419 -1.289 1.00 0.00 H +ATOM 14 HB3 ASN A 1 -6.479 7.362 -2.498 1.00 0.00 H +ATOM 15 HD21 ASN A 1 -9.433 8.852 -1.600 1.00 0.00 H +ATOM 16 HD22 ASN A 1 -10.445 7.627 -2.351 1.00 0.00 H +ATOM 17 N LEU A 2 -5.067 5.159 -1.809 1.00 0.00 N +ATOM 18 CA LEU A 2 -4.393 3.972 -2.370 1.00 0.00 C +ATOM 19 C LEU A 2 -3.815 2.986 -1.322 1.00 0.00 C +ATOM 20 O LEU A 2 -3.405 1.881 -1.670 1.00 0.00 O +ATOM 21 CB LEU A 2 -3.318 4.475 -3.359 1.00 0.00 C +ATOM 22 CG LEU A 2 -2.775 3.391 -4.321 1.00 0.00 C +ATOM 23 CD1 LEU A 2 -2.886 3.852 -5.776 1.00 0.00 C +ATOM 24 CD2 LEU A 2 -1.305 3.059 -4.036 1.00 0.00 C +ATOM 25 H LEU A 2 -4.731 6.044 -2.158 1.00 0.00 H +ATOM 26 HA LEU A 2 -5.136 3.416 -2.944 1.00 0.00 H +ATOM 27 HB2 LEU A 2 -3.747 5.262 -3.949 1.00 0.00 H +ATOM 28 HB3 LEU A 2 -2.496 4.924 -2.803 1.00 0.00 H +ATOM 29 HG LEU A 2 -3.366 2.482 -4.221 1.00 0.00 H +ATOM 30 HD11 LEU A 2 -3.924 4.091 -6.007 1.00 0.00 H +ATOM 31 HD12 LEU A 2 -2.264 4.732 -5.945 1.00 0.00 H +ATOM 32 HD13 LEU A 2 -2.567 3.048 -6.440 1.00 0.00 H +ATOM 33 HD21 LEU A 2 -0.682 3.941 -4.189 1.00 0.00 H +ATOM 34 HD22 LEU A 2 -1.195 2.711 -3.010 1.00 0.00 H +ATOM 35 HD23 LEU A 2 -0.974 2.268 -4.708 1.00 0.00 H +ATOM 36 N TYR A 3 -3.811 3.352 -0.033 1.00 0.00 N +ATOM 37 CA TYR A 3 -3.274 2.565 1.082 1.00 0.00 C +ATOM 38 C TYR A 3 -3.871 1.151 1.162 1.00 0.00 C +ATOM 39 O TYR A 3 -3.162 0.203 1.485 1.00 0.00 O +ATOM 40 CB TYR A 3 -3.498 3.331 2.395 1.00 0.00 C +ATOM 41 CG TYR A 3 -2.474 3.026 3.471 1.00 0.00 C +ATOM 42 CD1 TYR A 3 -2.556 1.845 4.232 1.00 0.00 C +ATOM 43 CD2 TYR A 3 -1.445 3.950 3.728 1.00 0.00 C +ATOM 44 CE1 TYR A 3 -1.614 1.596 5.250 1.00 0.00 C +ATOM 45 CE2 TYR A 3 -0.515 3.719 4.759 1.00 0.00 C +ATOM 46 CZ TYR A 3 -0.602 2.538 5.524 1.00 0.00 C +ATOM 47 OH TYR A 3 0.272 2.308 6.543 1.00 0.00 O +ATOM 48 H TYR A 3 -4.199 4.255 0.180 1.00 0.00 H +ATOM 49 HA TYR A 3 -2.199 2.466 0.933 1.00 0.00 H +ATOM 50 HB2 TYR A 3 -3.461 4.382 2.183 1.00 0.00 H +ATOM 51 HB3 TYR A 3 -4.496 3.115 2.779 1.00 0.00 H +ATOM 52 HD1 TYR A 3 -3.347 1.135 4.044 1.00 0.00 H +ATOM 53 HD2 TYR A 3 -1.383 4.866 3.163 1.00 0.00 H +ATOM 54 HE1 TYR A 3 -1.662 0.704 5.850 1.00 0.00 H +ATOM 55 HE2 TYR A 3 0.238 4.465 4.970 1.00 0.00 H +ATOM 56 HH TYR A 3 0.748 3.106 6.781 1.00 0.00 H +ATOM 57 N ILE A 4 -5.156 0.994 0.814 1.00 0.00 N +ATOM 58 CA ILE A 4 -5.850 -0.301 0.744 1.00 0.00 C +ATOM 59 C ILE A 4 -5.166 -1.221 -0.284 1.00 0.00 C +ATOM 60 O ILE A 4 -4.867 -2.383 0.001 1.00 0.00 O +ATOM 61 CB ILE A 4 -7.341 -0.069 0.393 1.00 0.00 C +ATOM 62 CG1 ILE A 4 -8.074 0.816 1.434 1.00 0.00 C +ATOM 63 CG2 ILE A 4 -8.093 -1.407 0.261 1.00 0.00 C +ATOM 64 CD1 ILE A 4 -9.121 1.725 0.775 1.00 0.00 C +ATOM 65 H ILE A 4 -5.666 1.828 0.551 1.00 0.00 H +ATOM 66 HA ILE A 4 -5.792 -0.788 1.718 1.00 0.00 H +ATOM 67 HB ILE A 4 -7.379 0.436 -0.575 1.00 0.00 H +ATOM 68 HG12 ILE A 4 -8.565 0.180 2.146 1.00 0.00 H +ATOM 69 HG13 ILE A 4 -7.376 1.460 1.967 1.00 0.00 H +ATOM 70 HG21 ILE A 4 -7.735 -1.962 -0.606 1.00 0.00 H +ATOM 71 HG22 ILE A 4 -7.943 -2.009 1.159 1.00 0.00 H +ATOM 72 HG23 ILE A 4 -9.159 -1.227 0.131 1.00 0.00 H +ATOM 73 HD11 ILE A 4 -8.623 2.466 0.151 1.00 0.00 H +ATOM 74 HD12 ILE A 4 -9.802 1.138 0.157 1.00 0.00 H +ATOM 75 HD13 ILE A 4 -9.693 2.241 1.546 1.00 0.00 H +ATOM 76 N GLN A 5 -4.893 -0.684 -1.479 1.00 0.00 N +ATOM 77 CA GLN A 5 -4.220 -1.377 -2.577 1.00 0.00 C +ATOM 78 C GLN A 5 -2.743 -1.658 -2.245 1.00 0.00 C +ATOM 79 O GLN A 5 -2.248 -2.748 -2.519 1.00 0.00 O +ATOM 80 CB GLN A 5 -4.380 -0.533 -3.859 1.00 0.00 C +ATOM 81 CG GLN A 5 -4.875 -1.373 -5.046 1.00 0.00 C +ATOM 82 CD GLN A 5 -5.310 -0.493 -6.218 1.00 0.00 C +ATOM 83 OE1 GLN A 5 -4.652 0.465 -6.592 1.00 0.00 O +ATOM 84 NE2 GLN A 5 -6.447 -0.772 -6.830 1.00 0.00 N +ATOM 85 H GLN A 5 -5.079 0.301 -1.598 1.00 0.00 H +ATOM 86 HA GLN A 5 -4.712 -2.339 -2.718 1.00 0.00 H +ATOM 87 HB2 GLN A 5 -5.088 0.251 -3.671 1.00 0.00 H +ATOM 88 HB3 GLN A 5 -3.433 -0.060 -4.120 1.00 0.00 H +ATOM 89 HG2 GLN A 5 -4.081 -2.018 -5.371 1.00 0.00 H +ATOM 90 HG3 GLN A 5 -5.728 -1.974 -4.725 1.00 0.00 H +ATOM 91 HE21 GLN A 5 -7.033 -1.546 -6.574 1.00 0.00 H +ATOM 92 HE22 GLN A 5 -6.664 -0.145 -7.586 1.00 0.00 H +ATOM 93 N TRP A 6 -2.061 -0.708 -1.593 1.00 0.00 N +ATOM 94 CA TRP A 6 -0.699 -0.882 -1.080 1.00 0.00 C +ATOM 95 C TRP A 6 -0.600 -1.986 -0.008 1.00 0.00 C +ATOM 96 O TRP A 6 0.299 -2.830 -0.069 1.00 0.00 O +ATOM 97 CB TRP A 6 -0.198 0.465 -0.550 1.00 0.00 C +ATOM 98 CG TRP A 6 1.182 0.437 0.022 1.00 0.00 C +ATOM 99 CD1 TRP A 6 2.329 0.427 -0.694 1.00 0.00 C +ATOM 100 CD2 TRP A 6 1.580 0.373 1.425 1.00 0.00 C +ATOM 101 NE1 TRP A 6 3.407 0.351 0.167 1.00 0.00 N +ATOM 102 CE2 TRP A 6 3.005 0.332 1.482 1.00 0.00 C +ATOM 103 CE3 TRP A 6 0.886 0.337 2.656 1.00 0.00 C +ATOM 104 CZ2 TRP A 6 3.709 0.283 2.693 1.00 0.00 C +ATOM 105 CZ3 TRP A 6 1.584 0.265 3.877 1.00 0.00 C +ATOM 106 CH2 TRP A 6 2.991 0.248 3.900 1.00 0.00 C +ATOM 107 H TRP A 6 -2.532 0.184 -1.455 1.00 0.00 H +ATOM 108 HA TRP A 6 -0.054 -1.185 -1.905 1.00 0.00 H +ATOM 109 HB2 TRP A 6 -0.210 1.168 -1.360 1.00 0.00 H +ATOM 110 HB3 TRP A 6 -0.877 0.814 0.226 1.00 0.00 H +ATOM 111 HD1 TRP A 6 2.391 0.455 -1.774 1.00 0.00 H +ATOM 112 HE1 TRP A 6 4.385 0.314 -0.130 1.00 0.00 H +ATOM 113 HE3 TRP A 6 -0.194 0.363 2.653 1.00 0.00 H +ATOM 114 HZ2 TRP A 6 4.789 0.251 2.682 1.00 0.00 H +ATOM 115 HZ3 TRP A 6 1.036 0.230 4.808 1.00 0.00 H +ATOM 116 HH2 TRP A 6 3.515 0.202 4.842 1.00 0.00 H +ATOM 117 N LEU A 7 -1.541 -2.027 0.949 1.00 0.00 N +ATOM 118 CA LEU A 7 -1.640 -3.112 1.929 1.00 0.00 C +ATOM 119 C LEU A 7 -1.889 -4.468 1.261 1.00 0.00 C +ATOM 120 O LEU A 7 -1.238 -5.436 1.646 1.00 0.00 O +ATOM 121 CB LEU A 7 -2.740 -2.826 2.968 1.00 0.00 C +ATOM 122 CG LEU A 7 -2.343 -1.833 4.074 1.00 0.00 C +ATOM 123 CD1 LEU A 7 -3.572 -1.572 4.953 1.00 0.00 C +ATOM 124 CD2 LEU A 7 -1.217 -2.363 4.972 1.00 0.00 C +ATOM 125 H LEU A 7 -2.224 -1.274 0.990 1.00 0.00 H +ATOM 126 HA LEU A 7 -0.682 -3.200 2.437 1.00 0.00 H +ATOM 127 HB2 LEU A 7 -3.591 -2.427 2.451 1.00 0.00 H +ATOM 128 HB3 LEU A 7 -3.015 -3.766 3.448 1.00 0.00 H +ATOM 129 HG LEU A 7 -2.019 -0.896 3.626 1.00 0.00 H +ATOM 130 HD11 LEU A 7 -4.372 -1.143 4.348 1.00 0.00 H +ATOM 131 HD12 LEU A 7 -3.920 -2.504 5.398 1.00 0.00 H +ATOM 132 HD13 LEU A 7 -3.325 -0.876 5.753 1.00 0.00 H +ATOM 133 HD21 LEU A 7 -1.486 -3.340 5.377 1.00 0.00 H +ATOM 134 HD22 LEU A 7 -0.290 -2.450 4.406 1.00 0.00 H +ATOM 135 HD23 LEU A 7 -1.040 -1.673 5.795 1.00 0.00 H +ATOM 136 N LYS A 8 -2.770 -4.540 0.248 1.00 0.00 N +ATOM 137 CA LYS A 8 -3.034 -5.773 -0.517 1.00 0.00 C +ATOM 138 C LYS A 8 -1.772 -6.426 -1.091 1.00 0.00 C +ATOM 139 O LYS A 8 -1.728 -7.650 -1.174 1.00 0.00 O +ATOM 140 CB LYS A 8 -4.047 -5.506 -1.649 1.00 0.00 C +ATOM 141 CG LYS A 8 -5.490 -5.877 -1.287 1.00 0.00 C +ATOM 142 CD LYS A 8 -5.698 -7.403 -1.249 1.00 0.00 C +ATOM 143 CE LYS A 8 -7.160 -7.768 -0.972 1.00 0.00 C +ATOM 144 NZ LYS A 8 -8.019 -7.558 -2.161 1.00 0.00 N +ATOM 145 H LYS A 8 -3.298 -3.699 0.023 1.00 0.00 H +ATOM 146 HA LYS A 8 -3.441 -6.510 0.174 1.00 0.00 H +ATOM 147 HB2 LYS A 8 -4.017 -4.461 -1.891 1.00 0.00 H +ATOM 148 HB3 LYS A 8 -3.763 -6.070 -2.541 1.00 0.00 H +ATOM 149 HG2 LYS A 8 -5.721 -5.471 -0.321 1.00 0.00 H +ATOM 150 HG3 LYS A 8 -6.147 -5.448 -2.044 1.00 0.00 H +ATOM 151 HD2 LYS A 8 -5.409 -7.817 -2.196 1.00 0.00 H +ATOM 152 HD3 LYS A 8 -5.085 -7.829 -0.456 1.00 0.00 H +ATOM 153 HE2 LYS A 8 -7.211 -8.801 -0.686 1.00 0.00 H +ATOM 154 HE3 LYS A 8 -7.517 -7.163 -0.132 1.00 0.00 H +ATOM 155 HZ1 LYS A 8 -7.967 -6.595 -2.466 1.00 0.00 H +ATOM 156 HZ2 LYS A 8 -7.713 -8.153 -2.920 1.00 0.00 H +ATOM 157 HZ3 LYS A 8 -8.983 -7.781 -1.944 1.00 0.00 H +ATOM 158 N ASP A 9 -0.765 -5.631 -1.463 1.00 0.00 N +ATOM 159 CA ASP A 9 0.519 -6.121 -1.972 1.00 0.00 C +ATOM 160 C ASP A 9 1.445 -6.678 -0.865 1.00 0.00 C +ATOM 161 O ASP A 9 2.350 -7.452 -1.161 1.00 0.00 O +ATOM 162 CB ASP A 9 1.192 -4.971 -2.744 1.00 0.00 C +ATOM 163 CG ASP A 9 2.106 -5.477 -3.863 1.00 0.00 C +ATOM 164 OD1 ASP A 9 1.541 -5.942 -4.878 1.00 0.00 O +ATOM 165 OD2 ASP A 9 3.339 -5.352 -3.715 1.00 0.00 O +ATOM 166 H ASP A 9 -0.913 -4.632 -1.417 1.00 0.00 H +ATOM 167 HA ASP A 9 0.324 -6.932 -2.676 1.00 0.00 H +ATOM 168 HB2 ASP A 9 0.429 -4.352 -3.175 1.00 0.00 H +ATOM 169 HB3 ASP A 9 1.743 -4.334 -2.055 1.00 0.00 H +ATOM 170 N GLY A 10 1.199 -6.324 0.409 1.00 0.00 N +ATOM 171 CA GLY A 10 2.035 -6.695 1.561 1.00 0.00 C +ATOM 172 C GLY A 10 2.549 -5.516 2.405 1.00 0.00 C +ATOM 173 O GLY A 10 3.396 -5.721 3.280 1.00 0.00 O +ATOM 174 H GLY A 10 0.336 -5.822 0.592 1.00 0.00 H +ATOM 175 HA2 GLY A 10 1.449 -7.339 2.217 1.00 0.00 H +ATOM 176 HA3 GLY A 10 2.902 -7.263 1.226 1.00 0.00 H +ATOM 177 N GLY A 11 2.066 -4.289 2.167 1.00 0.00 N +ATOM 178 CA GLY A 11 2.482 -3.079 2.879 1.00 0.00 C +ATOM 179 C GLY A 11 4.013 -2.881 2.908 1.00 0.00 C +ATOM 180 O GLY A 11 4.621 -2.749 1.846 1.00 0.00 O +ATOM 181 H GLY A 11 1.409 -4.178 1.404 1.00 0.00 H +ATOM 182 HA2 GLY A 11 2.044 -2.219 2.376 1.00 0.00 H +ATOM 183 HA3 GLY A 11 2.076 -3.118 3.887 1.00 0.00 H +ATOM 184 N PRO A 12 4.676 -2.846 4.086 1.00 0.00 N +ATOM 185 CA PRO A 12 6.134 -2.696 4.170 1.00 0.00 C +ATOM 186 C PRO A 12 6.928 -3.774 3.419 1.00 0.00 C +ATOM 187 O PRO A 12 8.047 -3.516 2.983 1.00 0.00 O +ATOM 188 CB PRO A 12 6.477 -2.732 5.665 1.00 0.00 C +ATOM 189 CG PRO A 12 5.171 -2.350 6.354 1.00 0.00 C +ATOM 190 CD PRO A 12 4.103 -2.919 5.422 1.00 0.00 C +ATOM 191 HA PRO A 12 6.404 -1.720 3.765 1.00 0.00 H +ATOM 192 HB2 PRO A 12 6.791 -3.715 5.961 1.00 0.00 H +ATOM 193 HB3 PRO A 12 7.280 -2.035 5.906 1.00 0.00 H +ATOM 194 HG2 PRO A 12 5.107 -2.794 7.329 1.00 0.00 H +ATOM 195 HG3 PRO A 12 5.083 -1.262 6.389 1.00 0.00 H +ATOM 196 HD2 PRO A 12 3.883 -3.937 5.681 1.00 0.00 H +ATOM 197 HD3 PRO A 12 3.191 -2.329 5.510 1.00 0.00 H +ATOM 198 N SER A 13 6.360 -4.977 3.249 1.00 0.00 N +ATOM 199 CA SER A 13 7.010 -6.099 2.562 1.00 0.00 C +ATOM 200 C SER A 13 6.911 -6.017 1.027 1.00 0.00 C +ATOM 201 O SER A 13 7.428 -6.898 0.345 1.00 0.00 O +ATOM 202 CB SER A 13 6.444 -7.423 3.092 1.00 0.00 C +ATOM 203 OG SER A 13 6.672 -7.521 4.489 1.00 0.00 O +ATOM 204 H SER A 13 5.417 -5.134 3.594 1.00 0.00 H +ATOM 205 HA SER A 13 8.075 -6.080 2.799 1.00 0.00 H +ATOM 206 HB2 SER A 13 5.389 -7.461 2.900 1.00 0.00 H +ATOM 207 HB3 SER A 13 6.937 -8.259 2.596 1.00 0.00 H +ATOM 208 HG SER A 13 7.611 -7.422 4.660 1.00 0.00 H +ATOM 209 N SER A 14 6.292 -4.962 0.480 1.00 0.00 N +ATOM 210 CA SER A 14 6.048 -4.754 -0.957 1.00 0.00 C +ATOM 211 C SER A 14 7.176 -4.018 -1.697 1.00 0.00 C +ATOM 212 O SER A 14 7.059 -3.747 -2.892 1.00 0.00 O +ATOM 213 CB SER A 14 4.777 -3.919 -1.127 1.00 0.00 C +ATOM 214 OG SER A 14 3.709 -4.470 -0.389 1.00 0.00 O +ATOM 215 H SER A 14 5.828 -4.305 1.101 1.00 0.00 H +ATOM 216 HA SER A 14 5.888 -5.719 -1.440 1.00 0.00 H +ATOM 217 HB2 SER A 14 4.964 -2.920 -0.782 1.00 0.00 H +ATOM 218 HB3 SER A 14 4.508 -3.877 -2.181 1.00 0.00 H +ATOM 219 HG SER A 14 2.926 -3.939 -0.562 1.00 0.00 H +ATOM 220 N GLY A 15 8.243 -3.596 -1.007 1.00 0.00 N +ATOM 221 CA GLY A 15 9.361 -2.835 -1.585 1.00 0.00 C +ATOM 222 C GLY A 15 9.056 -1.352 -1.859 1.00 0.00 C +ATOM 223 O GLY A 15 9.930 -0.509 -1.670 1.00 0.00 O +ATOM 224 H GLY A 15 8.265 -3.821 -0.022 1.00 0.00 H +ATOM 225 HA2 GLY A 15 10.215 -2.889 -0.911 1.00 0.00 H +ATOM 226 HA3 GLY A 15 9.653 -3.296 -2.529 1.00 0.00 H +ATOM 227 N ARG A 16 7.831 -1.015 -2.290 1.00 0.00 N +ATOM 228 CA ARG A 16 7.367 0.368 -2.493 1.00 0.00 C +ATOM 229 C ARG A 16 6.877 0.999 -1.170 1.00 0.00 C +ATOM 230 O ARG A 16 6.119 0.344 -0.451 1.00 0.00 O +ATOM 231 CB ARG A 16 6.250 0.369 -3.554 1.00 0.00 C +ATOM 232 CG ARG A 16 5.874 1.792 -3.992 1.00 0.00 C +ATOM 233 CD ARG A 16 4.768 1.802 -5.052 1.00 0.00 C +ATOM 234 NE ARG A 16 4.592 3.152 -5.624 1.00 0.00 N +ATOM 235 CZ ARG A 16 5.342 3.725 -6.562 1.00 0.00 C +ATOM 236 NH1 ARG A 16 6.353 3.099 -7.118 1.00 0.00 N +ATOM 237 NH2 ARG A 16 5.089 4.951 -6.960 1.00 0.00 N +ATOM 238 H ARG A 16 7.202 -1.790 -2.478 1.00 0.00 H +ATOM 239 HA ARG A 16 8.215 0.937 -2.874 1.00 0.00 H +ATOM 240 HB2 ARG A 16 6.587 -0.180 -4.412 1.00 0.00 H +ATOM 241 HB3 ARG A 16 5.369 -0.141 -3.162 1.00 0.00 H +ATOM 242 HG2 ARG A 16 5.534 2.339 -3.134 1.00 0.00 H +ATOM 243 HG3 ARG A 16 6.762 2.274 -4.401 1.00 0.00 H +ATOM 244 HD2 ARG A 16 5.029 1.120 -5.838 1.00 0.00 H +ATOM 245 HD3 ARG A 16 3.833 1.483 -4.587 1.00 0.00 H +ATOM 246 HE ARG A 16 3.843 3.705 -5.240 1.00 0.00 H +ATOM 247 HH11 ARG A 16 6.545 2.161 -6.819 1.00 0.00 H +ATOM 248 HH12 ARG A 16 6.918 3.536 -7.824 1.00 0.00 H +ATOM 249 HH21 ARG A 16 4.328 5.470 -6.560 1.00 0.00 H +ATOM 250 HH22 ARG A 16 5.659 5.373 -7.669 1.00 0.00 H +ATOM 251 N PRO A 17 7.221 2.269 -0.859 1.00 0.00 N +ATOM 252 CA PRO A 17 6.705 2.983 0.318 1.00 0.00 C +ATOM 253 C PRO A 17 5.183 3.245 0.249 1.00 0.00 C +ATOM 254 O PRO A 17 4.594 3.146 -0.833 1.00 0.00 O +ATOM 255 CB PRO A 17 7.498 4.298 0.370 1.00 0.00 C +ATOM 256 CG PRO A 17 7.885 4.544 -1.084 1.00 0.00 C +ATOM 257 CD PRO A 17 8.134 3.131 -1.601 1.00 0.00 C +ATOM 258 HA PRO A 17 6.917 2.397 1.214 1.00 0.00 H +ATOM 259 HB2 PRO A 17 6.889 5.098 0.744 1.00 0.00 H +ATOM 260 HB3 PRO A 17 8.399 4.155 0.967 1.00 0.00 H +ATOM 261 HG2 PRO A 17 7.088 5.020 -1.623 1.00 0.00 H +ATOM 262 HG3 PRO A 17 8.772 5.172 -1.170 1.00 0.00 H +ATOM 263 HD2 PRO A 17 7.928 3.076 -2.653 1.00 0.00 H +ATOM 264 HD3 PRO A 17 9.163 2.835 -1.385 1.00 0.00 H +ATOM 265 N PRO A 18 4.535 3.602 1.379 1.00 0.00 N +ATOM 266 CA PRO A 18 3.098 3.869 1.415 1.00 0.00 C +ATOM 267 C PRO A 18 2.719 5.165 0.669 1.00 0.00 C +ATOM 268 O PRO A 18 3.544 6.071 0.542 1.00 0.00 O +ATOM 269 CB PRO A 18 2.731 3.957 2.902 1.00 0.00 C +ATOM 270 CG PRO A 18 4.030 4.415 3.560 1.00 0.00 C +ATOM 271 CD PRO A 18 5.106 3.739 2.712 1.00 0.00 C +ATOM 272 HA PRO A 18 2.577 3.026 0.967 1.00 0.00 H +ATOM 273 HB2 PRO A 18 1.947 4.671 3.062 1.00 0.00 H +ATOM 274 HB3 PRO A 18 2.465 2.968 3.271 1.00 0.00 H +ATOM 275 HG2 PRO A 18 4.125 5.483 3.523 1.00 0.00 H +ATOM 276 HG3 PRO A 18 4.086 4.106 4.605 1.00 0.00 H +ATOM 277 HD2 PRO A 18 5.991 4.345 2.679 1.00 0.00 H +ATOM 278 HD3 PRO A 18 5.326 2.749 3.115 1.00 0.00 H +ATOM 279 N PRO A 19 1.459 5.284 0.203 1.00 0.00 N +ATOM 280 CA PRO A 19 0.978 6.448 -0.545 1.00 0.00 C +ATOM 281 C PRO A 19 0.572 7.643 0.336 1.00 0.00 C +ATOM 282 O PRO A 19 0.552 8.771 -0.151 1.00 0.00 O +ATOM 283 CB PRO A 19 -0.242 5.929 -1.311 1.00 0.00 C +ATOM 284 CG PRO A 19 -0.801 4.845 -0.388 1.00 0.00 C +ATOM 285 CD PRO A 19 0.449 4.236 0.235 1.00 0.00 C +ATOM 286 HA PRO A 19 1.734 6.784 -1.254 1.00 0.00 H +ATOM 287 HB2 PRO A 19 -0.960 6.711 -1.465 1.00 0.00 H +ATOM 288 HB3 PRO A 19 0.084 5.476 -2.248 1.00 0.00 H +ATOM 289 HG2 PRO A 19 -1.437 5.271 0.364 1.00 0.00 H +ATOM 290 HG3 PRO A 19 -1.352 4.094 -0.947 1.00 0.00 H +ATOM 291 HD2 PRO A 19 0.254 3.936 1.246 1.00 0.00 H +ATOM 292 HD3 PRO A 19 0.782 3.395 -0.374 1.00 0.00 H +ATOM 293 N SER A 20 0.203 7.390 1.598 1.00 0.00 N +ATOM 294 CA SER A 20 -0.287 8.373 2.572 1.00 0.00 C +ATOM 295 C SER A 20 -0.081 7.848 3.993 1.00 0.00 C +ATOM 296 O SER A 20 -0.913 6.978 4.355 1.00 0.00 O +ATOM 297 CB SER A 20 -1.774 8.674 2.311 1.00 0.00 C +ATOM 298 OG SER A 20 -2.506 7.508 2.636 1.00 0.00 O +ATOM 299 OXT SER A 20 0.876 8.292 4.654 1.00 0.00 O +ATOM 300 H SER A 20 0.248 6.431 1.907 1.00 0.00 H +ATOM 301 HA SER A 20 0.288 9.295 2.477 1.00 0.00 H +ATOM 302 HB2 SER A 20 -2.096 9.492 2.926 1.00 0.00 H +ATOM 303 HB3 SER A 20 -1.935 8.957 1.270 1.00 0.00 H +ATOM 304 HG SER A 20 -1.946 7.163 3.425 1.00 0.00 H +TER 305 SER A 20 +ENDMDL +MODEL 36 +ATOM 1 N ASN A 1 -8.345 5.007 0.601 1.00 0.00 N +ATOM 2 CA ASN A 1 -8.415 4.187 -0.632 1.00 0.00 C +ATOM 3 C ASN A 1 -7.045 3.669 -1.059 1.00 0.00 C +ATOM 4 O ASN A 1 -6.816 2.479 -0.901 1.00 0.00 O +ATOM 5 CB ASN A 1 -9.197 4.893 -1.758 1.00 0.00 C +ATOM 6 CG ASN A 1 -10.643 5.166 -1.337 1.00 0.00 C +ATOM 7 OD1 ASN A 1 -10.996 4.994 -0.179 1.00 0.00 O +ATOM 8 ND2 ASN A 1 -11.503 5.612 -2.232 1.00 0.00 N +ATOM 9 H1 ASN A 1 -7.873 4.502 1.338 1.00 0.00 H +ATOM 10 H2 ASN A 1 -7.870 5.880 0.423 1.00 0.00 H +ATOM 11 H3 ASN A 1 -9.297 5.207 0.895 1.00 0.00 H +ATOM 12 HA ASN A 1 -8.987 3.291 -0.382 1.00 0.00 H +ATOM 13 HB2 ASN A 1 -8.717 5.825 -1.987 1.00 0.00 H +ATOM 14 HB3 ASN A 1 -9.208 4.248 -2.640 1.00 0.00 H +ATOM 15 HD21 ASN A 1 -11.263 5.791 -3.194 1.00 0.00 H +ATOM 16 HD22 ASN A 1 -12.436 5.760 -1.880 1.00 0.00 H +ATOM 17 N LEU A 2 -6.121 4.518 -1.533 1.00 0.00 N +ATOM 18 CA LEU A 2 -4.809 4.093 -2.051 1.00 0.00 C +ATOM 19 C LEU A 2 -4.031 3.175 -1.085 1.00 0.00 C +ATOM 20 O LEU A 2 -3.434 2.185 -1.506 1.00 0.00 O +ATOM 21 CB LEU A 2 -3.963 5.337 -2.400 1.00 0.00 C +ATOM 22 CG LEU A 2 -4.300 6.102 -3.694 1.00 0.00 C +ATOM 23 CD1 LEU A 2 -4.155 5.211 -4.929 1.00 0.00 C +ATOM 24 CD2 LEU A 2 -5.687 6.754 -3.691 1.00 0.00 C +ATOM 25 H LEU A 2 -6.348 5.491 -1.680 1.00 0.00 H +ATOM 26 HA LEU A 2 -4.967 3.507 -2.957 1.00 0.00 H +ATOM 27 HB2 LEU A 2 -4.062 6.029 -1.586 1.00 0.00 H +ATOM 28 HB3 LEU A 2 -2.931 5.009 -2.510 1.00 0.00 H +ATOM 29 HG LEU A 2 -3.568 6.906 -3.783 1.00 0.00 H +ATOM 30 HD11 LEU A 2 -3.189 4.708 -4.910 1.00 0.00 H +ATOM 31 HD12 LEU A 2 -4.950 4.465 -4.963 1.00 0.00 H +ATOM 32 HD13 LEU A 2 -4.210 5.824 -5.829 1.00 0.00 H +ATOM 33 HD21 LEU A 2 -6.467 5.996 -3.738 1.00 0.00 H +ATOM 34 HD22 LEU A 2 -5.803 7.376 -2.804 1.00 0.00 H +ATOM 35 HD23 LEU A 2 -5.778 7.392 -4.570 1.00 0.00 H +ATOM 36 N TYR A 3 -4.080 3.473 0.219 1.00 0.00 N +ATOM 37 CA TYR A 3 -3.443 2.669 1.265 1.00 0.00 C +ATOM 38 C TYR A 3 -3.970 1.221 1.326 1.00 0.00 C +ATOM 39 O TYR A 3 -3.220 0.316 1.685 1.00 0.00 O +ATOM 40 CB TYR A 3 -3.618 3.386 2.614 1.00 0.00 C +ATOM 41 CG TYR A 3 -2.451 3.202 3.563 1.00 0.00 C +ATOM 42 CD1 TYR A 3 -2.336 2.022 4.319 1.00 0.00 C +ATOM 43 CD2 TYR A 3 -1.484 4.220 3.700 1.00 0.00 C +ATOM 44 CE1 TYR A 3 -1.266 1.859 5.218 1.00 0.00 C +ATOM 45 CE2 TYR A 3 -0.422 4.070 4.610 1.00 0.00 C +ATOM 46 CZ TYR A 3 -0.314 2.887 5.374 1.00 0.00 C +ATOM 47 OH TYR A 3 0.689 2.738 6.281 1.00 0.00 O +ATOM 48 H TYR A 3 -4.533 4.332 0.484 1.00 0.00 H +ATOM 49 HA TYR A 3 -2.376 2.623 1.045 1.00 0.00 H +ATOM 50 HB2 TYR A 3 -3.738 4.435 2.426 1.00 0.00 H +ATOM 51 HB3 TYR A 3 -4.533 3.034 3.097 1.00 0.00 H +ATOM 52 HD1 TYR A 3 -3.073 1.242 4.208 1.00 0.00 H +ATOM 53 HD2 TYR A 3 -1.561 5.130 3.117 1.00 0.00 H +ATOM 54 HE1 TYR A 3 -1.168 0.961 5.808 1.00 0.00 H +ATOM 55 HE2 TYR A 3 0.304 4.861 4.721 1.00 0.00 H +ATOM 56 HH TYR A 3 1.122 3.570 6.477 1.00 0.00 H +ATOM 57 N ILE A 4 -5.233 0.982 0.940 1.00 0.00 N +ATOM 58 CA ILE A 4 -5.848 -0.352 0.877 1.00 0.00 C +ATOM 59 C ILE A 4 -5.163 -1.178 -0.214 1.00 0.00 C +ATOM 60 O ILE A 4 -4.701 -2.283 0.059 1.00 0.00 O +ATOM 61 CB ILE A 4 -7.377 -0.269 0.636 1.00 0.00 C +ATOM 62 CG1 ILE A 4 -8.108 0.711 1.586 1.00 0.00 C +ATOM 63 CG2 ILE A 4 -8.024 -1.663 0.703 1.00 0.00 C +ATOM 64 CD1 ILE A 4 -8.003 0.381 3.081 1.00 0.00 C +ATOM 65 H ILE A 4 -5.759 1.748 0.533 1.00 0.00 H +ATOM 66 HA ILE A 4 -5.674 -0.861 1.826 1.00 0.00 H +ATOM 67 HB ILE A 4 -7.542 0.099 -0.378 1.00 0.00 H +ATOM 68 HG12 ILE A 4 -7.695 1.690 1.433 1.00 0.00 H +ATOM 69 HG13 ILE A 4 -9.164 0.739 1.316 1.00 0.00 H +ATOM 70 HG21 ILE A 4 -7.622 -2.307 -0.080 1.00 0.00 H +ATOM 71 HG22 ILE A 4 -7.834 -2.127 1.670 1.00 0.00 H +ATOM 72 HG23 ILE A 4 -9.101 -1.579 0.552 1.00 0.00 H +ATOM 73 HD11 ILE A 4 -8.525 -0.550 3.300 1.00 0.00 H +ATOM 74 HD12 ILE A 4 -6.959 0.295 3.382 1.00 0.00 H +ATOM 75 HD13 ILE A 4 -8.466 1.184 3.656 1.00 0.00 H +ATOM 76 N GLN A 5 -5.052 -0.619 -1.428 1.00 0.00 N +ATOM 77 CA GLN A 5 -4.299 -1.207 -2.540 1.00 0.00 C +ATOM 78 C GLN A 5 -2.854 -1.505 -2.123 1.00 0.00 C +ATOM 79 O GLN A 5 -2.421 -2.646 -2.248 1.00 0.00 O +ATOM 80 CB GLN A 5 -4.364 -0.280 -3.767 1.00 0.00 C +ATOM 81 CG GLN A 5 -5.703 -0.407 -4.512 1.00 0.00 C +ATOM 82 CD GLN A 5 -5.997 0.832 -5.354 1.00 0.00 C +ATOM 83 OE1 GLN A 5 -6.747 1.710 -4.957 1.00 0.00 O +ATOM 84 NE2 GLN A 5 -5.409 0.958 -6.528 1.00 0.00 N +ATOM 85 H GLN A 5 -5.422 0.315 -1.546 1.00 0.00 H +ATOM 86 HA GLN A 5 -4.752 -2.163 -2.806 1.00 0.00 H +ATOM 87 HB2 GLN A 5 -4.243 0.735 -3.441 1.00 0.00 H +ATOM 88 HB3 GLN A 5 -3.560 -0.532 -4.460 1.00 0.00 H +ATOM 89 HG2 GLN A 5 -5.663 -1.264 -5.156 1.00 0.00 H +ATOM 90 HG3 GLN A 5 -6.516 -0.529 -3.797 1.00 0.00 H +ATOM 91 HE21 GLN A 5 -4.765 0.277 -6.894 1.00 0.00 H +ATOM 92 HE22 GLN A 5 -5.664 1.794 -7.028 1.00 0.00 H +ATOM 93 N TRP A 6 -2.139 -0.521 -1.559 1.00 0.00 N +ATOM 94 CA TRP A 6 -0.764 -0.708 -1.080 1.00 0.00 C +ATOM 95 C TRP A 6 -0.621 -1.821 -0.023 1.00 0.00 C +ATOM 96 O TRP A 6 0.282 -2.655 -0.123 1.00 0.00 O +ATOM 97 CB TRP A 6 -0.226 0.624 -0.556 1.00 0.00 C +ATOM 98 CG TRP A 6 1.177 0.552 -0.041 1.00 0.00 C +ATOM 99 CD1 TRP A 6 2.291 0.506 -0.805 1.00 0.00 C +ATOM 100 CD2 TRP A 6 1.636 0.472 1.346 1.00 0.00 C +ATOM 101 NE1 TRP A 6 3.401 0.391 0.008 1.00 0.00 N +ATOM 102 CE2 TRP A 6 3.059 0.386 1.338 1.00 0.00 C +ATOM 103 CE3 TRP A 6 1.004 0.469 2.607 1.00 0.00 C +ATOM 104 CZ2 TRP A 6 3.822 0.325 2.511 1.00 0.00 C +ATOM 105 CZ3 TRP A 6 1.758 0.393 3.795 1.00 0.00 C +ATOM 106 CH2 TRP A 6 3.163 0.337 3.750 1.00 0.00 C +ATOM 107 H TRP A 6 -2.566 0.400 -1.493 1.00 0.00 H +ATOM 108 HA TRP A 6 -0.148 -1.012 -1.929 1.00 0.00 H +ATOM 109 HB2 TRP A 6 -0.256 1.338 -1.356 1.00 0.00 H +ATOM 110 HB3 TRP A 6 -0.872 0.979 0.246 1.00 0.00 H +ATOM 111 HD1 TRP A 6 2.305 0.538 -1.888 1.00 0.00 H +ATOM 112 HE1 TRP A 6 4.371 0.349 -0.315 1.00 0.00 H +ATOM 113 HE3 TRP A 6 -0.074 0.535 2.657 1.00 0.00 H +ATOM 114 HZ2 TRP A 6 4.900 0.268 2.446 1.00 0.00 H +ATOM 115 HZ3 TRP A 6 1.258 0.397 4.753 1.00 0.00 H +ATOM 116 HH2 TRP A 6 3.733 0.301 4.667 1.00 0.00 H +ATOM 117 N LEU A 7 -1.520 -1.885 0.971 1.00 0.00 N +ATOM 118 CA LEU A 7 -1.546 -3.008 1.915 1.00 0.00 C +ATOM 119 C LEU A 7 -1.821 -4.345 1.210 1.00 0.00 C +ATOM 120 O LEU A 7 -1.199 -5.346 1.565 1.00 0.00 O +ATOM 121 CB LEU A 7 -2.568 -2.758 3.038 1.00 0.00 C +ATOM 122 CG LEU A 7 -2.110 -1.733 4.094 1.00 0.00 C +ATOM 123 CD1 LEU A 7 -3.291 -1.398 5.011 1.00 0.00 C +ATOM 124 CD2 LEU A 7 -0.966 -2.250 4.977 1.00 0.00 C +ATOM 125 H LEU A 7 -2.224 -1.155 1.053 1.00 0.00 H +ATOM 126 HA LEU A 7 -0.553 -3.100 2.352 1.00 0.00 H +ATOM 127 HB2 LEU A 7 -3.476 -2.399 2.593 1.00 0.00 H +ATOM 128 HB3 LEU A 7 -2.769 -3.700 3.549 1.00 0.00 H +ATOM 129 HG LEU A 7 -1.780 -0.823 3.598 1.00 0.00 H +ATOM 130 HD11 LEU A 7 -4.097 -0.955 4.426 1.00 0.00 H +ATOM 131 HD12 LEU A 7 -3.659 -2.303 5.495 1.00 0.00 H +ATOM 132 HD13 LEU A 7 -2.979 -0.690 5.779 1.00 0.00 H +ATOM 133 HD21 LEU A 7 -1.320 -3.059 5.617 1.00 0.00 H +ATOM 134 HD22 LEU A 7 -0.139 -2.614 4.372 1.00 0.00 H +ATOM 135 HD23 LEU A 7 -0.594 -1.440 5.602 1.00 0.00 H +ATOM 136 N LYS A 8 -2.683 -4.366 0.182 1.00 0.00 N +ATOM 137 CA LYS A 8 -3.015 -5.563 -0.608 1.00 0.00 C +ATOM 138 C LYS A 8 -1.848 -6.159 -1.409 1.00 0.00 C +ATOM 139 O LYS A 8 -1.978 -7.286 -1.891 1.00 0.00 O +ATOM 140 CB LYS A 8 -4.151 -5.246 -1.594 1.00 0.00 C +ATOM 141 CG LYS A 8 -5.168 -6.394 -1.663 1.00 0.00 C +ATOM 142 CD LYS A 8 -5.900 -6.429 -3.012 1.00 0.00 C +ATOM 143 CE LYS A 8 -5.280 -7.448 -3.983 1.00 0.00 C +ATOM 144 NZ LYS A 8 -3.846 -7.183 -4.280 1.00 0.00 N +ATOM 145 H LYS A 8 -3.170 -3.498 -0.036 1.00 0.00 H +ATOM 146 HA LYS A 8 -3.348 -6.330 0.093 1.00 0.00 H +ATOM 147 HB2 LYS A 8 -4.653 -4.353 -1.273 1.00 0.00 H +ATOM 148 HB3 LYS A 8 -3.719 -5.054 -2.577 1.00 0.00 H +ATOM 149 HG2 LYS A 8 -4.651 -7.324 -1.524 1.00 0.00 H +ATOM 150 HG3 LYS A 8 -5.894 -6.248 -0.863 1.00 0.00 H +ATOM 151 HD2 LYS A 8 -6.926 -6.694 -2.842 1.00 0.00 H +ATOM 152 HD3 LYS A 8 -5.919 -5.435 -3.463 1.00 0.00 H +ATOM 153 HE2 LYS A 8 -5.363 -8.426 -3.549 1.00 0.00 H +ATOM 154 HE3 LYS A 8 -5.865 -7.435 -4.907 1.00 0.00 H +ATOM 155 HZ1 LYS A 8 -3.724 -6.252 -4.654 1.00 0.00 H +ATOM 156 HZ2 LYS A 8 -3.274 -7.269 -3.437 1.00 0.00 H +ATOM 157 HZ3 LYS A 8 -3.500 -7.847 -4.959 1.00 0.00 H +ATOM 158 N ASP A 9 -0.761 -5.409 -1.606 1.00 0.00 N +ATOM 159 CA ASP A 9 0.518 -5.887 -2.146 1.00 0.00 C +ATOM 160 C ASP A 9 1.477 -6.413 -1.062 1.00 0.00 C +ATOM 161 O ASP A 9 2.507 -6.993 -1.402 1.00 0.00 O +ATOM 162 CB ASP A 9 1.203 -4.746 -2.916 1.00 0.00 C +ATOM 163 CG ASP A 9 0.565 -4.528 -4.288 1.00 0.00 C +ATOM 164 OD1 ASP A 9 0.935 -5.288 -5.208 1.00 0.00 O +ATOM 165 OD2 ASP A 9 -0.287 -3.621 -4.405 1.00 0.00 O +ATOM 166 H ASP A 9 -0.838 -4.424 -1.369 1.00 0.00 H +ATOM 167 HA ASP A 9 0.340 -6.709 -2.843 1.00 0.00 H +ATOM 168 HB2 ASP A 9 1.118 -3.841 -2.345 1.00 0.00 H +ATOM 169 HB3 ASP A 9 2.251 -4.998 -3.073 1.00 0.00 H +ATOM 170 N GLY A 10 1.166 -6.210 0.226 1.00 0.00 N +ATOM 171 CA GLY A 10 1.990 -6.622 1.367 1.00 0.00 C +ATOM 172 C GLY A 10 2.542 -5.464 2.208 1.00 0.00 C +ATOM 173 O GLY A 10 3.334 -5.711 3.115 1.00 0.00 O +ATOM 174 H GLY A 10 0.272 -5.773 0.437 1.00 0.00 H +ATOM 175 HA2 GLY A 10 1.386 -7.249 2.021 1.00 0.00 H +ATOM 176 HA3 GLY A 10 2.837 -7.217 1.024 1.00 0.00 H +ATOM 177 N GLY A 11 2.159 -4.210 1.925 1.00 0.00 N +ATOM 178 CA GLY A 11 2.661 -3.046 2.655 1.00 0.00 C +ATOM 179 C GLY A 11 4.200 -2.979 2.631 1.00 0.00 C +ATOM 180 O GLY A 11 4.782 -3.116 1.550 1.00 0.00 O +ATOM 181 H GLY A 11 1.535 -4.045 1.144 1.00 0.00 H +ATOM 182 HA2 GLY A 11 2.267 -2.143 2.192 1.00 0.00 H +ATOM 183 HA3 GLY A 11 2.290 -3.099 3.676 1.00 0.00 H +ATOM 184 N PRO A 12 4.884 -2.799 3.785 1.00 0.00 N +ATOM 185 CA PRO A 12 6.347 -2.733 3.841 1.00 0.00 C +ATOM 186 C PRO A 12 7.047 -3.937 3.195 1.00 0.00 C +ATOM 187 O PRO A 12 8.110 -3.775 2.595 1.00 0.00 O +ATOM 188 CB PRO A 12 6.717 -2.624 5.327 1.00 0.00 C +ATOM 189 CG PRO A 12 5.445 -2.101 5.991 1.00 0.00 C +ATOM 190 CD PRO A 12 4.334 -2.698 5.130 1.00 0.00 C +ATOM 191 HA PRO A 12 6.671 -1.826 3.329 1.00 0.00 H +ATOM 192 HB2 PRO A 12 6.987 -3.584 5.724 1.00 0.00 H +ATOM 193 HB3 PRO A 12 7.555 -1.942 5.483 1.00 0.00 H +ATOM 194 HG2 PRO A 12 5.372 -2.442 7.006 1.00 0.00 H +ATOM 195 HG3 PRO A 12 5.418 -1.013 5.926 1.00 0.00 H +ATOM 196 HD2 PRO A 12 4.059 -3.669 5.495 1.00 0.00 H +ATOM 197 HD3 PRO A 12 3.452 -2.058 5.170 1.00 0.00 H +ATOM 198 N SER A 13 6.446 -5.136 3.263 1.00 0.00 N +ATOM 199 CA SER A 13 7.011 -6.363 2.690 1.00 0.00 C +ATOM 200 C SER A 13 7.149 -6.316 1.165 1.00 0.00 C +ATOM 201 O SER A 13 7.983 -7.035 0.623 1.00 0.00 O +ATOM 202 CB SER A 13 6.153 -7.573 3.073 1.00 0.00 C +ATOM 203 OG SER A 13 6.053 -7.692 4.480 1.00 0.00 O +ATOM 204 H SER A 13 5.546 -5.219 3.725 1.00 0.00 H +ATOM 205 HA SER A 13 8.010 -6.507 3.102 1.00 0.00 H +ATOM 206 HB2 SER A 13 5.170 -7.453 2.659 1.00 0.00 H +ATOM 207 HB3 SER A 13 6.605 -8.481 2.668 1.00 0.00 H +ATOM 208 HG SER A 13 6.911 -7.936 4.835 1.00 0.00 H +ATOM 209 N SER A 14 6.381 -5.460 0.473 1.00 0.00 N +ATOM 210 CA SER A 14 6.506 -5.250 -0.977 1.00 0.00 C +ATOM 211 C SER A 14 7.628 -4.264 -1.351 1.00 0.00 C +ATOM 212 O SER A 14 7.865 -4.012 -2.530 1.00 0.00 O +ATOM 213 CB SER A 14 5.167 -4.770 -1.558 1.00 0.00 C +ATOM 214 OG SER A 14 4.894 -5.465 -2.757 1.00 0.00 O +ATOM 215 H SER A 14 5.734 -4.866 0.986 1.00 0.00 H +ATOM 216 HA SER A 14 6.748 -6.210 -1.440 1.00 0.00 H +ATOM 217 HB2 SER A 14 4.383 -4.958 -0.850 1.00 0.00 H +ATOM 218 HB3 SER A 14 5.209 -3.700 -1.766 1.00 0.00 H +ATOM 219 HG SER A 14 3.943 -5.622 -2.814 1.00 0.00 H +ATOM 220 N GLY A 15 8.305 -3.650 -0.369 1.00 0.00 N +ATOM 221 CA GLY A 15 9.425 -2.723 -0.566 1.00 0.00 C +ATOM 222 C GLY A 15 9.041 -1.328 -1.080 1.00 0.00 C +ATOM 223 O GLY A 15 9.718 -0.356 -0.750 1.00 0.00 O +ATOM 224 H GLY A 15 8.061 -3.868 0.595 1.00 0.00 H +ATOM 225 HA2 GLY A 15 9.946 -2.602 0.385 1.00 0.00 H +ATOM 226 HA3 GLY A 15 10.124 -3.163 -1.277 1.00 0.00 H +ATOM 227 N ARG A 16 7.963 -1.202 -1.869 1.00 0.00 N +ATOM 228 CA ARG A 16 7.437 0.089 -2.339 1.00 0.00 C +ATOM 229 C ARG A 16 6.901 0.917 -1.155 1.00 0.00 C +ATOM 230 O ARG A 16 6.143 0.369 -0.352 1.00 0.00 O +ATOM 231 CB ARG A 16 6.345 -0.153 -3.399 1.00 0.00 C +ATOM 232 CG ARG A 16 6.052 1.130 -4.193 1.00 0.00 C +ATOM 233 CD ARG A 16 5.045 0.908 -5.333 1.00 0.00 C +ATOM 234 NE ARG A 16 5.431 1.681 -6.532 1.00 0.00 N +ATOM 235 CZ ARG A 16 5.978 1.218 -7.653 1.00 0.00 C +ATOM 236 NH1 ARG A 16 6.157 -0.064 -7.871 1.00 0.00 N +ATOM 237 NH2 ARG A 16 6.370 2.053 -8.588 1.00 0.00 N +ATOM 238 H ARG A 16 7.514 -2.068 -2.147 1.00 0.00 H +ATOM 239 HA ARG A 16 8.272 0.615 -2.801 1.00 0.00 H +ATOM 240 HB2 ARG A 16 6.677 -0.916 -4.076 1.00 0.00 H +ATOM 241 HB3 ARG A 16 5.432 -0.513 -2.923 1.00 0.00 H +ATOM 242 HG2 ARG A 16 5.653 1.865 -3.521 1.00 0.00 H +ATOM 243 HG3 ARG A 16 6.992 1.485 -4.616 1.00 0.00 H +ATOM 244 HD2 ARG A 16 5.018 -0.136 -5.581 1.00 0.00 H +ATOM 245 HD3 ARG A 16 4.058 1.230 -4.997 1.00 0.00 H +ATOM 246 HE ARG A 16 5.320 2.679 -6.467 1.00 0.00 H +ATOM 247 HH11 ARG A 16 5.847 -0.713 -7.171 1.00 0.00 H +ATOM 248 HH12 ARG A 16 6.562 -0.400 -8.725 1.00 0.00 H +ATOM 249 HH21 ARG A 16 6.273 3.046 -8.463 1.00 0.00 H +ATOM 250 HH22 ARG A 16 6.787 1.699 -9.428 1.00 0.00 H +ATOM 251 N PRO A 17 7.223 2.224 -1.040 1.00 0.00 N +ATOM 252 CA PRO A 17 6.725 3.069 0.048 1.00 0.00 C +ATOM 253 C PRO A 17 5.198 3.267 -0.012 1.00 0.00 C +ATOM 254 O PRO A 17 4.600 3.082 -1.075 1.00 0.00 O +ATOM 255 CB PRO A 17 7.472 4.402 -0.100 1.00 0.00 C +ATOM 256 CG PRO A 17 7.803 4.461 -1.589 1.00 0.00 C +ATOM 257 CD PRO A 17 8.084 2.999 -1.923 1.00 0.00 C +ATOM 258 HA PRO A 17 6.988 2.611 1.003 1.00 0.00 H +ATOM 259 HB2 PRO A 17 6.847 5.226 0.187 1.00 0.00 H +ATOM 260 HB3 PRO A 17 8.397 4.366 0.477 1.00 0.00 H +ATOM 261 HG2 PRO A 17 6.973 4.836 -2.156 1.00 0.00 H +ATOM 262 HG3 PRO A 17 8.662 5.098 -1.791 1.00 0.00 H +ATOM 263 HD2 PRO A 17 7.847 2.797 -2.950 1.00 0.00 H +ATOM 264 HD3 PRO A 17 9.128 2.763 -1.708 1.00 0.00 H +ATOM 265 N PRO A 18 4.558 3.663 1.109 1.00 0.00 N +ATOM 266 CA PRO A 18 3.118 3.895 1.157 1.00 0.00 C +ATOM 267 C PRO A 18 2.704 5.139 0.350 1.00 0.00 C +ATOM 268 O PRO A 18 3.494 6.075 0.206 1.00 0.00 O +ATOM 269 CB PRO A 18 2.775 4.055 2.641 1.00 0.00 C +ATOM 270 CG PRO A 18 4.071 4.582 3.251 1.00 0.00 C +ATOM 271 CD PRO A 18 5.151 3.896 2.419 1.00 0.00 C +ATOM 272 HA PRO A 18 2.608 3.020 0.760 1.00 0.00 H +ATOM 273 HB2 PRO A 18 1.974 4.756 2.776 1.00 0.00 H +ATOM 274 HB3 PRO A 18 2.543 3.080 3.070 1.00 0.00 H +ATOM 275 HG2 PRO A 18 4.134 5.649 3.159 1.00 0.00 H +ATOM 276 HG3 PRO A 18 4.154 4.332 4.308 1.00 0.00 H +ATOM 277 HD2 PRO A 18 6.013 4.529 2.331 1.00 0.00 H +ATOM 278 HD3 PRO A 18 5.412 2.939 2.872 1.00 0.00 H +ATOM 279 N PRO A 19 1.454 5.184 -0.142 1.00 0.00 N +ATOM 280 CA PRO A 19 0.910 6.335 -0.849 1.00 0.00 C +ATOM 281 C PRO A 19 0.561 7.461 0.136 1.00 0.00 C +ATOM 282 O PRO A 19 -0.109 7.228 1.144 1.00 0.00 O +ATOM 283 CB PRO A 19 -0.325 5.804 -1.578 1.00 0.00 C +ATOM 284 CG PRO A 19 -0.816 4.675 -0.671 1.00 0.00 C +ATOM 285 CD PRO A 19 0.464 4.121 -0.057 1.00 0.00 C +ATOM 286 HA PRO A 19 1.631 6.703 -1.581 1.00 0.00 H +ATOM 287 HB2 PRO A 19 -1.071 6.569 -1.676 1.00 0.00 H +ATOM 288 HB3 PRO A 19 -0.024 5.388 -2.541 1.00 0.00 H +ATOM 289 HG2 PRO A 19 -1.472 5.053 0.089 1.00 0.00 H +ATOM 290 HG3 PRO A 19 -1.335 3.905 -1.236 1.00 0.00 H +ATOM 291 HD2 PRO A 19 0.297 3.850 0.968 1.00 0.00 H +ATOM 292 HD3 PRO A 19 0.811 3.272 -0.645 1.00 0.00 H +ATOM 293 N SER A 20 1.026 8.673 -0.178 1.00 0.00 N +ATOM 294 CA SER A 20 0.698 9.933 0.494 1.00 0.00 C +ATOM 295 C SER A 20 -0.638 10.528 0.034 1.00 0.00 C +ATOM 296 O SER A 20 -1.052 10.270 -1.120 1.00 0.00 O +ATOM 297 CB SER A 20 1.845 10.928 0.290 1.00 0.00 C +ATOM 298 OG SER A 20 2.324 10.900 -1.046 1.00 0.00 O +ATOM 299 OXT SER A 20 -1.231 11.239 0.875 1.00 0.00 O +ATOM 300 H SER A 20 1.554 8.807 -1.028 1.00 0.00 H +ATOM 301 HA SER A 20 0.586 9.752 1.561 1.00 0.00 H +ATOM 302 HB2 SER A 20 1.493 11.917 0.514 1.00 0.00 H +ATOM 303 HB3 SER A 20 2.664 10.654 0.959 1.00 0.00 H +ATOM 304 HG SER A 20 2.939 11.625 -1.177 1.00 0.00 H +TER 305 SER A 20 +ENDMDL +MODEL 37 +ATOM 1 N ASN A 1 -5.798 7.479 0.401 1.00 0.00 N +ATOM 2 CA ASN A 1 -6.588 7.022 -0.767 1.00 0.00 C +ATOM 3 C ASN A 1 -6.199 5.613 -1.207 1.00 0.00 C +ATOM 4 O ASN A 1 -7.021 4.713 -1.096 1.00 0.00 O +ATOM 5 CB ASN A 1 -6.557 8.030 -1.932 1.00 0.00 C +ATOM 6 CG ASN A 1 -7.956 8.586 -2.147 1.00 0.00 C +ATOM 7 OD1 ASN A 1 -8.343 9.541 -1.498 1.00 0.00 O +ATOM 8 ND2 ASN A 1 -8.767 7.973 -2.991 1.00 0.00 N +ATOM 9 H1 ASN A 1 -5.816 6.777 1.127 1.00 0.00 H +ATOM 10 H2 ASN A 1 -4.838 7.655 0.131 1.00 0.00 H +ATOM 11 H3 ASN A 1 -6.193 8.335 0.767 1.00 0.00 H +ATOM 12 HA ASN A 1 -7.627 6.938 -0.443 1.00 0.00 H +ATOM 13 HB2 ASN A 1 -5.884 8.832 -1.696 1.00 0.00 H +ATOM 14 HB3 ASN A 1 -6.214 7.562 -2.856 1.00 0.00 H +ATOM 15 HD21 ASN A 1 -8.509 7.171 -3.541 1.00 0.00 H +ATOM 16 HD22 ASN A 1 -9.676 8.400 -3.071 1.00 0.00 H +ATOM 17 N LEU A 2 -4.963 5.401 -1.676 1.00 0.00 N +ATOM 18 CA LEU A 2 -4.527 4.127 -2.262 1.00 0.00 C +ATOM 19 C LEU A 2 -4.002 3.108 -1.223 1.00 0.00 C +ATOM 20 O LEU A 2 -3.490 2.051 -1.588 1.00 0.00 O +ATOM 21 CB LEU A 2 -3.515 4.448 -3.386 1.00 0.00 C +ATOM 22 CG LEU A 2 -3.518 3.386 -4.508 1.00 0.00 C +ATOM 23 CD1 LEU A 2 -3.924 3.985 -5.857 1.00 0.00 C +ATOM 24 CD2 LEU A 2 -2.165 2.687 -4.652 1.00 0.00 C +ATOM 25 H LEU A 2 -4.310 6.167 -1.771 1.00 0.00 H +ATOM 26 HA LEU A 2 -5.403 3.668 -2.726 1.00 0.00 H +ATOM 27 HB2 LEU A 2 -3.766 5.400 -3.813 1.00 0.00 H +ATOM 28 HB3 LEU A 2 -2.516 4.554 -2.964 1.00 0.00 H +ATOM 29 HG LEU A 2 -4.262 2.639 -4.267 1.00 0.00 H +ATOM 30 HD11 LEU A 2 -4.932 4.396 -5.784 1.00 0.00 H +ATOM 31 HD12 LEU A 2 -3.228 4.767 -6.155 1.00 0.00 H +ATOM 32 HD13 LEU A 2 -3.936 3.199 -6.614 1.00 0.00 H +ATOM 33 HD21 LEU A 2 -1.412 3.394 -5.001 1.00 0.00 H +ATOM 34 HD22 LEU A 2 -1.857 2.272 -3.692 1.00 0.00 H +ATOM 35 HD23 LEU A 2 -2.253 1.872 -5.370 1.00 0.00 H +ATOM 36 N TYR A 3 -4.143 3.405 0.077 1.00 0.00 N +ATOM 37 CA TYR A 3 -3.594 2.622 1.192 1.00 0.00 C +ATOM 38 C TYR A 3 -4.041 1.158 1.165 1.00 0.00 C +ATOM 39 O TYR A 3 -3.239 0.261 1.408 1.00 0.00 O +ATOM 40 CB TYR A 3 -3.976 3.276 2.532 1.00 0.00 C +ATOM 41 CG TYR A 3 -2.857 3.224 3.553 1.00 0.00 C +ATOM 42 CD1 TYR A 3 -2.508 2.017 4.182 1.00 0.00 C +ATOM 43 CD2 TYR A 3 -2.132 4.392 3.837 1.00 0.00 C +ATOM 44 CE1 TYR A 3 -1.412 1.972 5.068 1.00 0.00 C +ATOM 45 CE2 TYR A 3 -1.039 4.360 4.722 1.00 0.00 C +ATOM 46 CZ TYR A 3 -0.662 3.140 5.323 1.00 0.00 C +ATOM 47 OH TYR A 3 0.439 3.086 6.118 1.00 0.00 O +ATOM 48 H TYR A 3 -4.628 4.258 0.296 1.00 0.00 H +ATOM 49 HA TYR A 3 -2.507 2.635 1.105 1.00 0.00 H +ATOM 50 HB2 TYR A 3 -4.228 4.303 2.352 1.00 0.00 H +ATOM 51 HB3 TYR A 3 -4.863 2.793 2.949 1.00 0.00 H +ATOM 52 HD1 TYR A 3 -3.069 1.122 3.968 1.00 0.00 H +ATOM 53 HD2 TYR A 3 -2.417 5.309 3.354 1.00 0.00 H +ATOM 54 HE1 TYR A 3 -1.123 1.050 5.550 1.00 0.00 H +ATOM 55 HE2 TYR A 3 -0.485 5.260 4.942 1.00 0.00 H +ATOM 56 HH TYR A 3 0.954 3.895 6.046 1.00 0.00 H +ATOM 57 N ILE A 4 -5.313 0.913 0.819 1.00 0.00 N +ATOM 58 CA ILE A 4 -5.875 -0.433 0.687 1.00 0.00 C +ATOM 59 C ILE A 4 -5.150 -1.213 -0.419 1.00 0.00 C +ATOM 60 O ILE A 4 -4.782 -2.367 -0.218 1.00 0.00 O +ATOM 61 CB ILE A 4 -7.404 -0.376 0.441 1.00 0.00 C +ATOM 62 CG1 ILE A 4 -8.133 0.538 1.461 1.00 0.00 C +ATOM 63 CG2 ILE A 4 -7.996 -1.794 0.489 1.00 0.00 C +ATOM 64 CD1 ILE A 4 -8.579 1.867 0.834 1.00 0.00 C +ATOM 65 H ILE A 4 -5.909 1.712 0.664 1.00 0.00 H +ATOM 66 HA ILE A 4 -5.703 -0.963 1.625 1.00 0.00 H +ATOM 67 HB ILE A 4 -7.582 0.014 -0.564 1.00 0.00 H +ATOM 68 HG12 ILE A 4 -8.999 0.022 1.830 1.00 0.00 H +ATOM 69 HG13 ILE A 4 -7.484 0.744 2.314 1.00 0.00 H +ATOM 70 HG21 ILE A 4 -7.610 -2.395 -0.333 1.00 0.00 H +ATOM 71 HG22 ILE A 4 -7.734 -2.278 1.431 1.00 0.00 H +ATOM 72 HG23 ILE A 4 -9.082 -1.752 0.406 1.00 0.00 H +ATOM 73 HD11 ILE A 4 -7.781 2.293 0.225 1.00 0.00 H +ATOM 74 HD12 ILE A 4 -9.456 1.698 0.209 1.00 0.00 H +ATOM 75 HD13 ILE A 4 -8.839 2.575 1.623 1.00 0.00 H +ATOM 76 N GLN A 5 -4.916 -0.587 -1.582 1.00 0.00 N +ATOM 77 CA GLN A 5 -4.177 -1.207 -2.684 1.00 0.00 C +ATOM 78 C GLN A 5 -2.695 -1.416 -2.351 1.00 0.00 C +ATOM 79 O GLN A 5 -2.131 -2.431 -2.746 1.00 0.00 O +ATOM 80 CB GLN A 5 -4.323 -0.379 -3.966 1.00 0.00 C +ATOM 81 CG GLN A 5 -5.742 -0.393 -4.567 1.00 0.00 C +ATOM 82 CD GLN A 5 -6.425 0.974 -4.548 1.00 0.00 C +ATOM 83 OE1 GLN A 5 -6.408 1.714 -5.514 1.00 0.00 O +ATOM 84 NE2 GLN A 5 -7.071 1.361 -3.464 1.00 0.00 N +ATOM 85 H GLN A 5 -5.081 0.408 -1.625 1.00 0.00 H +ATOM 86 HA GLN A 5 -4.585 -2.193 -2.872 1.00 0.00 H +ATOM 87 HB2 GLN A 5 -4.062 0.637 -3.742 1.00 0.00 H +ATOM 88 HB3 GLN A 5 -3.636 -0.777 -4.715 1.00 0.00 H +ATOM 89 HG2 GLN A 5 -5.677 -0.726 -5.585 1.00 0.00 H +ATOM 90 HG3 GLN A 5 -6.369 -1.116 -4.046 1.00 0.00 H +ATOM 91 HE21 GLN A 5 -7.192 0.797 -2.646 1.00 0.00 H +ATOM 92 HE22 GLN A 5 -7.525 2.252 -3.586 1.00 0.00 H +ATOM 93 N TRP A 6 -2.077 -0.504 -1.595 1.00 0.00 N +ATOM 94 CA TRP A 6 -0.720 -0.701 -1.084 1.00 0.00 C +ATOM 95 C TRP A 6 -0.636 -1.874 -0.089 1.00 0.00 C +ATOM 96 O TRP A 6 0.249 -2.721 -0.206 1.00 0.00 O +ATOM 97 CB TRP A 6 -0.212 0.612 -0.482 1.00 0.00 C +ATOM 98 CG TRP A 6 1.182 0.533 0.054 1.00 0.00 C +ATOM 99 CD1 TRP A 6 2.314 0.521 -0.685 1.00 0.00 C +ATOM 100 CD2 TRP A 6 1.608 0.404 1.443 1.00 0.00 C +ATOM 101 NE1 TRP A 6 3.408 0.380 0.147 1.00 0.00 N +ATOM 102 CE2 TRP A 6 3.031 0.317 1.470 1.00 0.00 C +ATOM 103 CE3 TRP A 6 0.937 0.364 2.685 1.00 0.00 C +ATOM 104 CZ2 TRP A 6 3.755 0.214 2.665 1.00 0.00 C +ATOM 105 CZ3 TRP A 6 1.654 0.247 3.892 1.00 0.00 C +ATOM 106 CH2 TRP A 6 3.057 0.179 3.883 1.00 0.00 C +ATOM 107 H TRP A 6 -2.581 0.349 -1.361 1.00 0.00 H +ATOM 108 HA TRP A 6 -0.070 -0.958 -1.922 1.00 0.00 H +ATOM 109 HB2 TRP A 6 -0.239 1.366 -1.245 1.00 0.00 H +ATOM 110 HB3 TRP A 6 -0.876 0.919 0.324 1.00 0.00 H +ATOM 111 HD1 TRP A 6 2.354 0.591 -1.764 1.00 0.00 H +ATOM 112 HE1 TRP A 6 4.380 0.346 -0.171 1.00 0.00 H +ATOM 113 HE3 TRP A 6 -0.140 0.441 2.699 1.00 0.00 H +ATOM 114 HZ2 TRP A 6 4.832 0.162 2.632 1.00 0.00 H +ATOM 115 HZ3 TRP A 6 1.123 0.229 4.833 1.00 0.00 H +ATOM 116 HH2 TRP A 6 3.599 0.110 4.815 1.00 0.00 H +ATOM 117 N LEU A 7 -1.578 -1.972 0.862 1.00 0.00 N +ATOM 118 CA LEU A 7 -1.635 -3.091 1.807 1.00 0.00 C +ATOM 119 C LEU A 7 -1.938 -4.442 1.140 1.00 0.00 C +ATOM 120 O LEU A 7 -1.409 -5.445 1.613 1.00 0.00 O +ATOM 121 CB LEU A 7 -2.649 -2.806 2.929 1.00 0.00 C +ATOM 122 CG LEU A 7 -2.162 -1.784 3.974 1.00 0.00 C +ATOM 123 CD1 LEU A 7 -3.325 -1.421 4.903 1.00 0.00 C +ATOM 124 CD2 LEU A 7 -1.020 -2.318 4.848 1.00 0.00 C +ATOM 125 H LEU A 7 -2.263 -1.224 0.945 1.00 0.00 H +ATOM 126 HA LEU A 7 -0.647 -3.201 2.250 1.00 0.00 H +ATOM 127 HB2 LEU A 7 -3.548 -2.428 2.482 1.00 0.00 H +ATOM 128 HB3 LEU A 7 -2.870 -3.739 3.450 1.00 0.00 H +ATOM 129 HG LEU A 7 -1.826 -0.882 3.469 1.00 0.00 H +ATOM 130 HD11 LEU A 7 -4.144 -0.999 4.320 1.00 0.00 H +ATOM 131 HD12 LEU A 7 -3.677 -2.310 5.426 1.00 0.00 H +ATOM 132 HD13 LEU A 7 -2.996 -0.686 5.638 1.00 0.00 H +ATOM 133 HD21 LEU A 7 -1.350 -3.197 5.402 1.00 0.00 H +ATOM 134 HD22 LEU A 7 -0.162 -2.584 4.235 1.00 0.00 H +ATOM 135 HD23 LEU A 7 -0.705 -1.549 5.553 1.00 0.00 H +ATOM 136 N LYS A 8 -2.727 -4.482 0.050 1.00 0.00 N +ATOM 137 CA LYS A 8 -3.029 -5.712 -0.710 1.00 0.00 C +ATOM 138 C LYS A 8 -1.781 -6.486 -1.146 1.00 0.00 C +ATOM 139 O LYS A 8 -1.824 -7.713 -1.157 1.00 0.00 O +ATOM 140 CB LYS A 8 -3.877 -5.403 -1.959 1.00 0.00 C +ATOM 141 CG LYS A 8 -5.382 -5.303 -1.680 1.00 0.00 C +ATOM 142 CD LYS A 8 -6.121 -4.820 -2.936 1.00 0.00 C +ATOM 143 CE LYS A 8 -7.604 -4.569 -2.640 1.00 0.00 C +ATOM 144 NZ LYS A 8 -8.094 -3.337 -3.303 1.00 0.00 N +ATOM 145 H LYS A 8 -3.183 -3.613 -0.220 1.00 0.00 H +ATOM 146 HA LYS A 8 -3.587 -6.394 -0.066 1.00 0.00 H +ATOM 147 HB2 LYS A 8 -3.547 -4.468 -2.369 1.00 0.00 H +ATOM 148 HB3 LYS A 8 -3.735 -6.199 -2.691 1.00 0.00 H +ATOM 149 HG2 LYS A 8 -5.755 -6.268 -1.398 1.00 0.00 H +ATOM 150 HG3 LYS A 8 -5.561 -4.609 -0.862 1.00 0.00 H +ATOM 151 HD2 LYS A 8 -5.672 -3.907 -3.278 1.00 0.00 H +ATOM 152 HD3 LYS A 8 -6.030 -5.569 -3.726 1.00 0.00 H +ATOM 153 HE2 LYS A 8 -8.176 -5.405 -2.994 1.00 0.00 H +ATOM 154 HE3 LYS A 8 -7.739 -4.483 -1.558 1.00 0.00 H +ATOM 155 HZ1 LYS A 8 -7.671 -2.528 -2.870 1.00 0.00 H +ATOM 156 HZ2 LYS A 8 -7.852 -3.348 -4.286 1.00 0.00 H +ATOM 157 HZ3 LYS A 8 -9.100 -3.265 -3.217 1.00 0.00 H +ATOM 158 N ASP A 9 -0.706 -5.789 -1.524 1.00 0.00 N +ATOM 159 CA ASP A 9 0.553 -6.406 -1.949 1.00 0.00 C +ATOM 160 C ASP A 9 1.294 -7.047 -0.758 1.00 0.00 C +ATOM 161 O ASP A 9 1.606 -8.237 -0.786 1.00 0.00 O +ATOM 162 CB ASP A 9 1.394 -5.344 -2.675 1.00 0.00 C +ATOM 163 CG ASP A 9 2.486 -5.969 -3.549 1.00 0.00 C +ATOM 164 OD1 ASP A 9 3.523 -6.378 -2.986 1.00 0.00 O +ATOM 165 OD2 ASP A 9 2.263 -6.015 -4.778 1.00 0.00 O +ATOM 166 H ASP A 9 -0.768 -4.780 -1.507 1.00 0.00 H +ATOM 167 HA ASP A 9 0.326 -7.201 -2.662 1.00 0.00 H +ATOM 168 HB2 ASP A 9 0.747 -4.757 -3.298 1.00 0.00 H +ATOM 169 HB3 ASP A 9 1.836 -4.661 -1.952 1.00 0.00 H +ATOM 170 N GLY A 10 1.509 -6.275 0.317 1.00 0.00 N +ATOM 171 CA GLY A 10 2.156 -6.749 1.545 1.00 0.00 C +ATOM 172 C GLY A 10 2.683 -5.650 2.474 1.00 0.00 C +ATOM 173 O GLY A 10 3.675 -5.864 3.179 1.00 0.00 O +ATOM 174 H GLY A 10 1.256 -5.305 0.206 1.00 0.00 H +ATOM 175 HA2 GLY A 10 1.435 -7.344 2.107 1.00 0.00 H +ATOM 176 HA3 GLY A 10 2.991 -7.399 1.279 1.00 0.00 H +ATOM 177 N GLY A 11 2.059 -4.463 2.477 1.00 0.00 N +ATOM 178 CA GLY A 11 2.499 -3.312 3.269 1.00 0.00 C +ATOM 179 C GLY A 11 3.991 -2.994 3.056 1.00 0.00 C +ATOM 180 O GLY A 11 4.434 -2.979 1.903 1.00 0.00 O +ATOM 181 H GLY A 11 1.253 -4.352 1.879 1.00 0.00 H +ATOM 182 HA2 GLY A 11 1.923 -2.437 2.974 1.00 0.00 H +ATOM 183 HA3 GLY A 11 2.296 -3.527 4.316 1.00 0.00 H +ATOM 184 N PRO A 12 4.793 -2.762 4.118 1.00 0.00 N +ATOM 185 CA PRO A 12 6.229 -2.487 3.995 1.00 0.00 C +ATOM 186 C PRO A 12 7.028 -3.585 3.274 1.00 0.00 C +ATOM 187 O PRO A 12 8.076 -3.294 2.700 1.00 0.00 O +ATOM 188 CB PRO A 12 6.752 -2.306 5.426 1.00 0.00 C +ATOM 189 CG PRO A 12 5.507 -2.017 6.260 1.00 0.00 C +ATOM 190 CD PRO A 12 4.401 -2.765 5.520 1.00 0.00 C +ATOM 191 HA PRO A 12 6.358 -1.552 3.450 1.00 0.00 H +ATOM 192 HB2 PRO A 12 7.237 -3.200 5.768 1.00 0.00 H +ATOM 193 HB3 PRO A 12 7.469 -1.487 5.487 1.00 0.00 H +ATOM 194 HG2 PRO A 12 5.620 -2.390 7.260 1.00 0.00 H +ATOM 195 HG3 PRO A 12 5.297 -0.947 6.247 1.00 0.00 H +ATOM 196 HD2 PRO A 12 4.322 -3.771 5.884 1.00 0.00 H +ATOM 197 HD3 PRO A 12 3.446 -2.266 5.679 1.00 0.00 H +ATOM 198 N SER A 13 6.542 -4.835 3.272 1.00 0.00 N +ATOM 199 CA SER A 13 7.225 -5.960 2.613 1.00 0.00 C +ATOM 200 C SER A 13 7.090 -5.923 1.084 1.00 0.00 C +ATOM 201 O SER A 13 7.812 -6.639 0.397 1.00 0.00 O +ATOM 202 CB SER A 13 6.715 -7.304 3.143 1.00 0.00 C +ATOM 203 OG SER A 13 6.868 -7.384 4.548 1.00 0.00 O +ATOM 204 H SER A 13 5.615 -5.000 3.652 1.00 0.00 H +ATOM 205 HA SER A 13 8.289 -5.899 2.846 1.00 0.00 H +ATOM 206 HB2 SER A 13 5.676 -7.407 2.896 1.00 0.00 H +ATOM 207 HB3 SER A 13 7.295 -8.107 2.686 1.00 0.00 H +ATOM 208 HG SER A 13 6.175 -6.863 4.961 1.00 0.00 H +ATOM 209 N SER A 14 6.215 -5.060 0.547 1.00 0.00 N +ATOM 210 CA SER A 14 5.985 -4.853 -0.893 1.00 0.00 C +ATOM 211 C SER A 14 7.162 -4.169 -1.609 1.00 0.00 C +ATOM 212 O SER A 14 7.144 -4.019 -2.829 1.00 0.00 O +ATOM 213 CB SER A 14 4.753 -3.963 -1.131 1.00 0.00 C +ATOM 214 OG SER A 14 3.717 -4.170 -0.195 1.00 0.00 O +ATOM 215 H SER A 14 5.645 -4.521 1.187 1.00 0.00 H +ATOM 216 HA SER A 14 5.802 -5.822 -1.361 1.00 0.00 H +ATOM 217 HB2 SER A 14 5.060 -2.936 -1.075 1.00 0.00 H +ATOM 218 HB3 SER A 14 4.378 -4.145 -2.137 1.00 0.00 H +ATOM 219 HG SER A 14 3.940 -3.652 0.618 1.00 0.00 H +ATOM 220 N GLY A 15 8.149 -3.648 -0.867 1.00 0.00 N +ATOM 221 CA GLY A 15 9.308 -2.922 -1.397 1.00 0.00 C +ATOM 222 C GLY A 15 9.025 -1.456 -1.756 1.00 0.00 C +ATOM 223 O GLY A 15 9.889 -0.604 -1.556 1.00 0.00 O +ATOM 224 H GLY A 15 8.079 -3.767 0.134 1.00 0.00 H +ATOM 225 HA2 GLY A 15 10.105 -2.947 -0.656 1.00 0.00 H +ATOM 226 HA3 GLY A 15 9.666 -3.429 -2.292 1.00 0.00 H +ATOM 227 N ARG A 16 7.825 -1.141 -2.266 1.00 0.00 N +ATOM 228 CA ARG A 16 7.373 0.232 -2.551 1.00 0.00 C +ATOM 229 C ARG A 16 6.899 0.948 -1.262 1.00 0.00 C +ATOM 230 O ARG A 16 6.146 0.343 -0.492 1.00 0.00 O +ATOM 231 CB ARG A 16 6.251 0.175 -3.606 1.00 0.00 C +ATOM 232 CG ARG A 16 5.730 1.567 -4.005 1.00 0.00 C +ATOM 233 CD ARG A 16 4.469 1.519 -4.875 1.00 0.00 C +ATOM 234 NE ARG A 16 4.763 1.758 -6.300 1.00 0.00 N +ATOM 235 CZ ARG A 16 3.916 2.227 -7.208 1.00 0.00 C +ATOM 236 NH1 ARG A 16 2.658 2.472 -6.918 1.00 0.00 N +ATOM 237 NH2 ARG A 16 4.320 2.468 -8.433 1.00 0.00 N +ATOM 238 H ARG A 16 7.201 -1.921 -2.440 1.00 0.00 H +ATOM 239 HA ARG A 16 8.223 0.770 -2.970 1.00 0.00 H +ATOM 240 HB2 ARG A 16 6.631 -0.312 -4.483 1.00 0.00 H +ATOM 241 HB3 ARG A 16 5.424 -0.414 -3.204 1.00 0.00 H +ATOM 242 HG2 ARG A 16 5.505 2.115 -3.110 1.00 0.00 H +ATOM 243 HG3 ARG A 16 6.516 2.126 -4.513 1.00 0.00 H +ATOM 244 HD2 ARG A 16 4.016 0.551 -4.774 1.00 0.00 H +ATOM 245 HD3 ARG A 16 3.800 2.303 -4.511 1.00 0.00 H +ATOM 246 HE ARG A 16 5.706 1.581 -6.603 1.00 0.00 H +ATOM 247 HH11 ARG A 16 2.347 2.274 -5.983 1.00 0.00 H +ATOM 248 HH12 ARG A 16 2.019 2.829 -7.604 1.00 0.00 H +ATOM 249 HH21 ARG A 16 5.274 2.298 -8.697 1.00 0.00 H +ATOM 250 HH22 ARG A 16 3.671 2.823 -9.112 1.00 0.00 H +ATOM 251 N PRO A 17 7.238 2.239 -1.049 1.00 0.00 N +ATOM 252 CA PRO A 17 6.752 3.031 0.091 1.00 0.00 C +ATOM 253 C PRO A 17 5.220 3.248 0.078 1.00 0.00 C +ATOM 254 O PRO A 17 4.591 3.120 -0.974 1.00 0.00 O +ATOM 255 CB PRO A 17 7.502 4.368 0.005 1.00 0.00 C +ATOM 256 CG PRO A 17 7.850 4.499 -1.475 1.00 0.00 C +ATOM 257 CD PRO A 17 8.119 3.053 -1.878 1.00 0.00 C +ATOM 258 HA PRO A 17 7.029 2.523 1.014 1.00 0.00 H +ATOM 259 HB2 PRO A 17 6.875 5.179 0.323 1.00 0.00 H +ATOM 260 HB3 PRO A 17 8.421 4.310 0.590 1.00 0.00 H +ATOM 261 HG2 PRO A 17 7.030 4.911 -2.031 1.00 0.00 H +ATOM 262 HG3 PRO A 17 8.722 5.135 -1.635 1.00 0.00 H +ATOM 263 HD2 PRO A 17 7.895 2.907 -2.917 1.00 0.00 H +ATOM 264 HD3 PRO A 17 9.157 2.796 -1.662 1.00 0.00 H +ATOM 265 N PRO A 18 4.609 3.598 1.230 1.00 0.00 N +ATOM 266 CA PRO A 18 3.169 3.836 1.328 1.00 0.00 C +ATOM 267 C PRO A 18 2.742 5.156 0.656 1.00 0.00 C +ATOM 268 O PRO A 18 3.546 6.084 0.554 1.00 0.00 O +ATOM 269 CB PRO A 18 2.862 3.850 2.829 1.00 0.00 C +ATOM 270 CG PRO A 18 4.166 4.332 3.459 1.00 0.00 C +ATOM 271 CD PRO A 18 5.241 3.765 2.532 1.00 0.00 C +ATOM 272 HA PRO A 18 2.644 3.006 0.861 1.00 0.00 H +ATOM 273 HB2 PRO A 18 2.058 4.525 3.049 1.00 0.00 H +ATOM 274 HB3 PRO A 18 2.652 2.837 3.167 1.00 0.00 H +ATOM 275 HG2 PRO A 18 4.207 5.404 3.483 1.00 0.00 H +ATOM 276 HG3 PRO A 18 4.282 3.964 4.478 1.00 0.00 H +ATOM 277 HD2 PRO A 18 6.067 4.446 2.460 1.00 0.00 H +ATOM 278 HD3 PRO A 18 5.572 2.793 2.901 1.00 0.00 H +ATOM 279 N PRO A 19 1.469 5.271 0.226 1.00 0.00 N +ATOM 280 CA PRO A 19 0.934 6.477 -0.411 1.00 0.00 C +ATOM 281 C PRO A 19 0.511 7.576 0.577 1.00 0.00 C +ATOM 282 O PRO A 19 0.337 8.718 0.154 1.00 0.00 O +ATOM 283 CB PRO A 19 -0.292 5.993 -1.191 1.00 0.00 C +ATOM 284 CG PRO A 19 -0.802 4.823 -0.346 1.00 0.00 C +ATOM 285 CD PRO A 19 0.482 4.200 0.195 1.00 0.00 C +ATOM 286 HA PRO A 19 1.665 6.898 -1.103 1.00 0.00 H +ATOM 287 HB2 PRO A 19 -1.032 6.767 -1.264 1.00 0.00 H +ATOM 288 HB3 PRO A 19 0.019 5.632 -2.172 1.00 0.00 H +ATOM 289 HG2 PRO A 19 -1.428 5.170 0.453 1.00 0.00 H +ATOM 290 HG3 PRO A 19 -1.362 4.109 -0.947 1.00 0.00 H +ATOM 291 HD2 PRO A 19 0.321 3.813 1.183 1.00 0.00 H +ATOM 292 HD3 PRO A 19 0.825 3.424 -0.490 1.00 0.00 H +ATOM 293 N SER A 20 0.305 7.237 1.858 1.00 0.00 N +ATOM 294 CA SER A 20 -0.121 8.153 2.922 1.00 0.00 C +ATOM 295 C SER A 20 0.633 7.935 4.225 1.00 0.00 C +ATOM 296 O SER A 20 1.271 6.865 4.365 1.00 0.00 O +ATOM 297 CB SER A 20 -1.606 7.996 3.229 1.00 0.00 C +ATOM 298 OG SER A 20 -1.979 9.152 3.934 1.00 0.00 O +ATOM 299 OXT SER A 20 0.418 8.818 5.086 1.00 0.00 O +ATOM 300 H SER A 20 0.556 6.306 2.160 1.00 0.00 H +ATOM 301 HA SER A 20 0.065 9.179 2.607 1.00 0.00 H +ATOM 302 HB2 SER A 20 -2.169 7.916 2.319 1.00 0.00 H +ATOM 303 HB3 SER A 20 -1.742 7.145 3.893 1.00 0.00 H +ATOM 304 HG SER A 20 -1.222 9.307 4.547 1.00 0.00 H +TER 305 SER A 20 +ENDMDL +MODEL 38 +ATOM 1 N ASN A 1 -6.430 7.268 -0.166 1.00 0.00 N +ATOM 2 CA ASN A 1 -7.338 6.541 -1.083 1.00 0.00 C +ATOM 3 C ASN A 1 -6.741 5.186 -1.487 1.00 0.00 C +ATOM 4 O ASN A 1 -7.302 4.173 -1.103 1.00 0.00 O +ATOM 5 CB ASN A 1 -7.816 7.420 -2.263 1.00 0.00 C +ATOM 6 CG ASN A 1 -6.722 7.736 -3.278 1.00 0.00 C +ATOM 7 OD1 ASN A 1 -6.455 6.960 -4.175 1.00 0.00 O +ATOM 8 ND2 ASN A 1 -5.989 8.824 -3.136 1.00 0.00 N +ATOM 9 H1 ASN A 1 -6.139 6.658 0.586 1.00 0.00 H +ATOM 10 H2 ASN A 1 -5.611 7.592 -0.664 1.00 0.00 H +ATOM 11 H3 ASN A 1 -6.908 8.064 0.234 1.00 0.00 H +ATOM 12 HA ASN A 1 -8.233 6.285 -0.514 1.00 0.00 H +ATOM 13 HB2 ASN A 1 -8.609 6.904 -2.770 1.00 0.00 H +ATOM 14 HB3 ASN A 1 -8.228 8.355 -1.876 1.00 0.00 H +ATOM 15 HD21 ASN A 1 -6.187 9.584 -2.506 1.00 0.00 H +ATOM 16 HD22 ASN A 1 -5.321 8.935 -3.885 1.00 0.00 H +ATOM 17 N LEU A 2 -5.581 5.139 -2.154 1.00 0.00 N +ATOM 18 CA LEU A 2 -4.935 3.924 -2.679 1.00 0.00 C +ATOM 19 C LEU A 2 -4.238 3.028 -1.631 1.00 0.00 C +ATOM 20 O LEU A 2 -3.619 2.024 -1.985 1.00 0.00 O +ATOM 21 CB LEU A 2 -3.974 4.371 -3.806 1.00 0.00 C +ATOM 22 CG LEU A 2 -4.642 4.256 -5.191 1.00 0.00 C +ATOM 23 CD1 LEU A 2 -3.992 5.215 -6.190 1.00 0.00 C +ATOM 24 CD2 LEU A 2 -4.527 2.822 -5.718 1.00 0.00 C +ATOM 25 H LEU A 2 -5.206 6.000 -2.526 1.00 0.00 H +ATOM 26 HA LEU A 2 -5.713 3.296 -3.117 1.00 0.00 H +ATOM 27 HB2 LEU A 2 -3.690 5.392 -3.639 1.00 0.00 H +ATOM 28 HB3 LEU A 2 -3.065 3.769 -3.800 1.00 0.00 H +ATOM 29 HG LEU A 2 -5.698 4.515 -5.115 1.00 0.00 H +ATOM 30 HD11 LEU A 2 -4.204 6.242 -5.892 1.00 0.00 H +ATOM 31 HD12 LEU A 2 -2.915 5.058 -6.224 1.00 0.00 H +ATOM 32 HD13 LEU A 2 -4.414 5.054 -7.182 1.00 0.00 H +ATOM 33 HD21 LEU A 2 -3.478 2.549 -5.839 1.00 0.00 H +ATOM 34 HD22 LEU A 2 -4.998 2.131 -5.020 1.00 0.00 H +ATOM 35 HD23 LEU A 2 -5.031 2.745 -6.681 1.00 0.00 H +ATOM 36 N TYR A 3 -4.360 3.359 -0.340 1.00 0.00 N +ATOM 37 CA TYR A 3 -3.724 2.648 0.772 1.00 0.00 C +ATOM 38 C TYR A 3 -4.137 1.169 0.856 1.00 0.00 C +ATOM 39 O TYR A 3 -3.317 0.329 1.227 1.00 0.00 O +ATOM 40 CB TYR A 3 -4.029 3.379 2.090 1.00 0.00 C +ATOM 41 CG TYR A 3 -2.887 3.312 3.082 1.00 0.00 C +ATOM 42 CD1 TYR A 3 -1.861 4.274 3.013 1.00 0.00 C +ATOM 43 CD2 TYR A 3 -2.830 2.295 4.054 1.00 0.00 C +ATOM 44 CE1 TYR A 3 -0.765 4.215 3.892 1.00 0.00 C +ATOM 45 CE2 TYR A 3 -1.745 2.242 4.951 1.00 0.00 C +ATOM 46 CZ TYR A 3 -0.706 3.197 4.866 1.00 0.00 C +ATOM 47 OH TYR A 3 0.351 3.124 5.717 1.00 0.00 O +ATOM 48 H TYR A 3 -4.937 4.156 -0.129 1.00 0.00 H +ATOM 49 HA TYR A 3 -2.646 2.676 0.609 1.00 0.00 H +ATOM 50 HB2 TYR A 3 -4.231 4.410 1.870 1.00 0.00 H +ATOM 51 HB3 TYR A 3 -4.934 2.967 2.541 1.00 0.00 H +ATOM 52 HD1 TYR A 3 -1.912 5.069 2.285 1.00 0.00 H +ATOM 53 HD2 TYR A 3 -3.617 1.558 4.111 1.00 0.00 H +ATOM 54 HE1 TYR A 3 0.013 4.960 3.818 1.00 0.00 H +ATOM 55 HE2 TYR A 3 -1.685 1.473 5.706 1.00 0.00 H +ATOM 56 HH TYR A 3 1.074 3.686 5.430 1.00 0.00 H +ATOM 57 N ILE A 4 -5.379 0.841 0.456 1.00 0.00 N +ATOM 58 CA ILE A 4 -5.867 -0.543 0.382 1.00 0.00 C +ATOM 59 C ILE A 4 -4.972 -1.370 -0.545 1.00 0.00 C +ATOM 60 O ILE A 4 -4.513 -2.431 -0.139 1.00 0.00 O +ATOM 61 CB ILE A 4 -7.351 -0.631 -0.056 1.00 0.00 C +ATOM 62 CG1 ILE A 4 -8.267 0.276 0.803 1.00 0.00 C +ATOM 63 CG2 ILE A 4 -7.848 -2.085 0.043 1.00 0.00 C +ATOM 64 CD1 ILE A 4 -8.626 1.595 0.106 1.00 0.00 C +ATOM 65 H ILE A 4 -5.992 1.589 0.165 1.00 0.00 H +ATOM 66 HA ILE A 4 -5.785 -0.978 1.379 1.00 0.00 H +ATOM 67 HB ILE A 4 -7.431 -0.341 -1.106 1.00 0.00 H +ATOM 68 HG12 ILE A 4 -9.174 -0.257 1.016 1.00 0.00 H +ATOM 69 HG13 ILE A 4 -7.782 0.492 1.756 1.00 0.00 H +ATOM 70 HG21 ILE A 4 -7.271 -2.734 -0.616 1.00 0.00 H +ATOM 71 HG22 ILE A 4 -7.761 -2.445 1.069 1.00 0.00 H +ATOM 72 HG23 ILE A 4 -8.892 -2.140 -0.270 1.00 0.00 H +ATOM 73 HD11 ILE A 4 -7.974 1.772 -0.749 1.00 0.00 H +ATOM 74 HD12 ILE A 4 -9.658 1.551 -0.248 1.00 0.00 H +ATOM 75 HD13 ILE A 4 -8.528 2.422 0.809 1.00 0.00 H +ATOM 76 N GLN A 5 -4.692 -0.874 -1.757 1.00 0.00 N +ATOM 77 CA GLN A 5 -3.867 -1.563 -2.751 1.00 0.00 C +ATOM 78 C GLN A 5 -2.445 -1.809 -2.222 1.00 0.00 C +ATOM 79 O GLN A 5 -1.929 -2.921 -2.330 1.00 0.00 O +ATOM 80 CB GLN A 5 -3.847 -0.743 -4.058 1.00 0.00 C +ATOM 81 CG GLN A 5 -3.727 -1.623 -5.311 1.00 0.00 C +ATOM 82 CD GLN A 5 -5.084 -2.186 -5.734 1.00 0.00 C +ATOM 83 OE1 GLN A 5 -5.698 -2.984 -5.042 1.00 0.00 O +ATOM 84 NE2 GLN A 5 -5.615 -1.776 -6.871 1.00 0.00 N +ATOM 85 H GLN A 5 -5.036 0.048 -1.986 1.00 0.00 H +ATOM 86 HA GLN A 5 -4.323 -2.535 -2.945 1.00 0.00 H +ATOM 87 HB2 GLN A 5 -4.757 -0.178 -4.122 1.00 0.00 H +ATOM 88 HB3 GLN A 5 -3.011 -0.043 -4.034 1.00 0.00 H +ATOM 89 HG2 GLN A 5 -3.329 -1.033 -6.114 1.00 0.00 H +ATOM 90 HG3 GLN A 5 -3.035 -2.447 -5.128 1.00 0.00 H +ATOM 91 HE21 GLN A 5 -5.153 -1.128 -7.485 1.00 0.00 H +ATOM 92 HE22 GLN A 5 -6.510 -2.185 -7.079 1.00 0.00 H +ATOM 93 N TRP A 6 -1.839 -0.788 -1.599 1.00 0.00 N +ATOM 94 CA TRP A 6 -0.525 -0.892 -0.956 1.00 0.00 C +ATOM 95 C TRP A 6 -0.505 -1.946 0.161 1.00 0.00 C +ATOM 96 O TRP A 6 0.383 -2.798 0.180 1.00 0.00 O +ATOM 97 CB TRP A 6 -0.095 0.486 -0.442 1.00 0.00 C +ATOM 98 CG TRP A 6 1.244 0.517 0.231 1.00 0.00 C +ATOM 99 CD1 TRP A 6 2.442 0.440 -0.391 1.00 0.00 C +ATOM 100 CD2 TRP A 6 1.543 0.573 1.661 1.00 0.00 C +ATOM 101 NE1 TRP A 6 3.455 0.482 0.546 1.00 0.00 N +ATOM 102 CE2 TRP A 6 2.959 0.563 1.826 1.00 0.00 C +ATOM 103 CE3 TRP A 6 0.765 0.602 2.836 1.00 0.00 C +ATOM 104 CZ2 TRP A 6 3.578 0.610 3.082 1.00 0.00 C +ATOM 105 CZ3 TRP A 6 1.375 0.609 4.105 1.00 0.00 C +ATOM 106 CH2 TRP A 6 2.774 0.632 4.232 1.00 0.00 C +ATOM 107 H TRP A 6 -2.350 0.086 -1.539 1.00 0.00 H +ATOM 108 HA TRP A 6 0.198 -1.218 -1.705 1.00 0.00 H +ATOM 109 HB2 TRP A 6 -0.064 1.159 -1.277 1.00 0.00 H +ATOM 110 HB3 TRP A 6 -0.841 0.856 0.262 1.00 0.00 H +ATOM 111 HD1 TRP A 6 2.583 0.342 -1.457 1.00 0.00 H +ATOM 112 HE1 TRP A 6 4.453 0.438 0.329 1.00 0.00 H +ATOM 113 HE3 TRP A 6 -0.312 0.606 2.755 1.00 0.00 H +ATOM 114 HZ2 TRP A 6 4.655 0.607 3.156 1.00 0.00 H +ATOM 115 HZ3 TRP A 6 0.762 0.609 4.996 1.00 0.00 H +ATOM 116 HH2 TRP A 6 3.223 0.656 5.215 1.00 0.00 H +ATOM 117 N LEU A 7 -1.495 -1.933 1.067 1.00 0.00 N +ATOM 118 CA LEU A 7 -1.631 -2.979 2.085 1.00 0.00 C +ATOM 119 C LEU A 7 -1.880 -4.365 1.470 1.00 0.00 C +ATOM 120 O LEU A 7 -1.286 -5.334 1.938 1.00 0.00 O +ATOM 121 CB LEU A 7 -2.736 -2.618 3.092 1.00 0.00 C +ATOM 122 CG LEU A 7 -2.373 -1.484 4.072 1.00 0.00 C +ATOM 123 CD1 LEU A 7 -3.572 -1.205 4.981 1.00 0.00 C +ATOM 124 CD2 LEU A 7 -1.173 -1.831 4.963 1.00 0.00 C +ATOM 125 H LEU A 7 -2.195 -1.196 1.019 1.00 0.00 H +ATOM 126 HA LEU A 7 -0.684 -3.061 2.616 1.00 0.00 H +ATOM 127 HB2 LEU A 7 -3.605 -2.317 2.540 1.00 0.00 H +ATOM 128 HB3 LEU A 7 -2.968 -3.507 3.680 1.00 0.00 H +ATOM 129 HG LEU A 7 -2.145 -0.578 3.513 1.00 0.00 H +ATOM 130 HD11 LEU A 7 -4.432 -0.914 4.377 1.00 0.00 H +ATOM 131 HD12 LEU A 7 -3.821 -2.097 5.558 1.00 0.00 H +ATOM 132 HD13 LEU A 7 -3.338 -0.395 5.671 1.00 0.00 H +ATOM 133 HD21 LEU A 7 -1.337 -2.790 5.456 1.00 0.00 H +ATOM 134 HD22 LEU A 7 -0.263 -1.882 4.367 1.00 0.00 H +ATOM 135 HD23 LEU A 7 -1.035 -1.059 5.719 1.00 0.00 H +ATOM 136 N LYS A 8 -2.706 -4.471 0.416 1.00 0.00 N +ATOM 137 CA LYS A 8 -3.040 -5.736 -0.258 1.00 0.00 C +ATOM 138 C LYS A 8 -1.805 -6.466 -0.789 1.00 0.00 C +ATOM 139 O LYS A 8 -1.742 -7.687 -0.688 1.00 0.00 O +ATOM 140 CB LYS A 8 -4.034 -5.485 -1.410 1.00 0.00 C +ATOM 141 CG LYS A 8 -4.931 -6.689 -1.757 1.00 0.00 C +ATOM 142 CD LYS A 8 -6.238 -6.726 -0.944 1.00 0.00 C +ATOM 143 CE LYS A 8 -6.111 -7.395 0.434 1.00 0.00 C +ATOM 144 NZ LYS A 8 -6.596 -8.795 0.413 1.00 0.00 N +ATOM 145 H LYS A 8 -3.180 -3.623 0.110 1.00 0.00 H +ATOM 146 HA LYS A 8 -3.483 -6.388 0.485 1.00 0.00 H +ATOM 147 HB2 LYS A 8 -4.667 -4.665 -1.133 1.00 0.00 H +ATOM 148 HB3 LYS A 8 -3.469 -5.209 -2.302 1.00 0.00 H +ATOM 149 HG2 LYS A 8 -5.179 -6.640 -2.800 1.00 0.00 H +ATOM 150 HG3 LYS A 8 -4.383 -7.626 -1.648 1.00 0.00 H +ATOM 151 HD2 LYS A 8 -6.571 -5.716 -0.797 1.00 0.00 H +ATOM 152 HD3 LYS A 8 -6.998 -7.246 -1.531 1.00 0.00 H +ATOM 153 HE2 LYS A 8 -5.079 -7.389 0.729 1.00 0.00 H +ATOM 154 HE3 LYS A 8 -6.699 -6.816 1.151 1.00 0.00 H +ATOM 155 HZ1 LYS A 8 -7.551 -8.825 0.081 1.00 0.00 H +ATOM 156 HZ2 LYS A 8 -6.018 -9.355 -0.202 1.00 0.00 H +ATOM 157 HZ3 LYS A 8 -6.565 -9.193 1.343 1.00 0.00 H +ATOM 158 N ASP A 9 -0.838 -5.715 -1.323 1.00 0.00 N +ATOM 159 CA ASP A 9 0.450 -6.224 -1.807 1.00 0.00 C +ATOM 160 C ASP A 9 1.375 -6.712 -0.666 1.00 0.00 C +ATOM 161 O ASP A 9 2.268 -7.521 -0.902 1.00 0.00 O +ATOM 162 CB ASP A 9 1.122 -5.114 -2.638 1.00 0.00 C +ATOM 163 CG ASP A 9 1.749 -5.645 -3.931 1.00 0.00 C +ATOM 164 OD1 ASP A 9 2.908 -6.107 -3.879 1.00 0.00 O +ATOM 165 OD2 ASP A 9 1.053 -5.563 -4.967 1.00 0.00 O +ATOM 166 H ASP A 9 -1.027 -4.724 -1.433 1.00 0.00 H +ATOM 167 HA ASP A 9 0.258 -7.078 -2.459 1.00 0.00 H +ATOM 168 HB2 ASP A 9 0.383 -4.379 -2.891 1.00 0.00 H +ATOM 169 HB3 ASP A 9 1.874 -4.603 -2.038 1.00 0.00 H +ATOM 170 N GLY A 10 1.131 -6.267 0.578 1.00 0.00 N +ATOM 171 CA GLY A 10 1.947 -6.573 1.759 1.00 0.00 C +ATOM 172 C GLY A 10 2.471 -5.343 2.517 1.00 0.00 C +ATOM 173 O GLY A 10 3.312 -5.492 3.405 1.00 0.00 O +ATOM 174 H GLY A 10 0.292 -5.717 0.714 1.00 0.00 H +ATOM 175 HA2 GLY A 10 1.343 -7.159 2.453 1.00 0.00 H +ATOM 176 HA3 GLY A 10 2.809 -7.177 1.472 1.00 0.00 H +ATOM 177 N GLY A 11 2.017 -4.128 2.178 1.00 0.00 N +ATOM 178 CA GLY A 11 2.486 -2.885 2.787 1.00 0.00 C +ATOM 179 C GLY A 11 4.008 -2.719 2.637 1.00 0.00 C +ATOM 180 O GLY A 11 4.503 -2.800 1.506 1.00 0.00 O +ATOM 181 H GLY A 11 1.396 -4.039 1.378 1.00 0.00 H +ATOM 182 HA2 GLY A 11 2.001 -2.048 2.288 1.00 0.00 H +ATOM 183 HA3 GLY A 11 2.186 -2.879 3.832 1.00 0.00 H +ATOM 184 N PRO A 12 4.780 -2.519 3.728 1.00 0.00 N +ATOM 185 CA PRO A 12 6.239 -2.387 3.665 1.00 0.00 C +ATOM 186 C PRO A 12 6.950 -3.575 3.000 1.00 0.00 C +ATOM 187 O PRO A 12 7.979 -3.391 2.354 1.00 0.00 O +ATOM 188 CB PRO A 12 6.713 -2.228 5.117 1.00 0.00 C +ATOM 189 CG PRO A 12 5.470 -1.751 5.866 1.00 0.00 C +ATOM 190 CD PRO A 12 4.331 -2.431 5.110 1.00 0.00 C +ATOM 191 HA PRO A 12 6.480 -1.479 3.109 1.00 0.00 H +ATOM 192 HB2 PRO A 12 7.058 -3.165 5.510 1.00 0.00 H +ATOM 193 HB3 PRO A 12 7.527 -1.506 5.194 1.00 0.00 H +ATOM 194 HG2 PRO A 12 5.494 -2.065 6.892 1.00 0.00 H +ATOM 195 HG3 PRO A 12 5.378 -0.669 5.771 1.00 0.00 H +ATOM 196 HD2 PRO A 12 4.149 -3.411 5.508 1.00 0.00 H +ATOM 197 HD3 PRO A 12 3.421 -1.842 5.212 1.00 0.00 H +ATOM 198 N SER A 13 6.391 -4.788 3.108 1.00 0.00 N +ATOM 199 CA SER A 13 6.963 -6.030 2.565 1.00 0.00 C +ATOM 200 C SER A 13 6.817 -6.172 1.040 1.00 0.00 C +ATOM 201 O SER A 13 7.075 -7.245 0.502 1.00 0.00 O +ATOM 202 CB SER A 13 6.348 -7.235 3.292 1.00 0.00 C +ATOM 203 OG SER A 13 6.588 -7.135 4.685 1.00 0.00 O +ATOM 204 H SER A 13 5.511 -4.881 3.605 1.00 0.00 H +ATOM 205 HA SER A 13 8.033 -6.031 2.772 1.00 0.00 H +ATOM 206 HB2 SER A 13 5.290 -7.255 3.114 1.00 0.00 H +ATOM 207 HB3 SER A 13 6.798 -8.157 2.922 1.00 0.00 H +ATOM 208 HG SER A 13 7.535 -7.126 4.838 1.00 0.00 H +ATOM 209 N SER A 14 6.433 -5.095 0.342 1.00 0.00 N +ATOM 210 CA SER A 14 6.094 -5.070 -1.091 1.00 0.00 C +ATOM 211 C SER A 14 7.131 -4.326 -1.948 1.00 0.00 C +ATOM 212 O SER A 14 6.912 -4.123 -3.139 1.00 0.00 O +ATOM 213 CB SER A 14 4.713 -4.430 -1.320 1.00 0.00 C +ATOM 214 OG SER A 14 3.852 -4.557 -0.209 1.00 0.00 O +ATOM 215 H SER A 14 6.248 -4.262 0.883 1.00 0.00 H +ATOM 216 HA SER A 14 6.036 -6.095 -1.458 1.00 0.00 H +ATOM 217 HB2 SER A 14 4.851 -3.386 -1.528 1.00 0.00 H +ATOM 218 HB3 SER A 14 4.256 -4.900 -2.188 1.00 0.00 H +ATOM 219 HG SER A 14 4.090 -3.859 0.448 1.00 0.00 H +ATOM 220 N GLY A 15 8.234 -3.851 -1.350 1.00 0.00 N +ATOM 221 CA GLY A 15 9.242 -3.043 -2.046 1.00 0.00 C +ATOM 222 C GLY A 15 8.765 -1.634 -2.430 1.00 0.00 C +ATOM 223 O GLY A 15 9.339 -1.029 -3.333 1.00 0.00 O +ATOM 224 H GLY A 15 8.368 -4.078 -0.374 1.00 0.00 H +ATOM 225 HA2 GLY A 15 10.125 -2.943 -1.415 1.00 0.00 H +ATOM 226 HA3 GLY A 15 9.540 -3.557 -2.962 1.00 0.00 H +ATOM 227 N ARG A 16 7.712 -1.116 -1.776 1.00 0.00 N +ATOM 228 CA ARG A 16 7.012 0.119 -2.159 1.00 0.00 C +ATOM 229 C ARG A 16 6.744 1.004 -0.927 1.00 0.00 C +ATOM 230 O ARG A 16 6.192 0.494 0.050 1.00 0.00 O +ATOM 231 CB ARG A 16 5.715 -0.274 -2.903 1.00 0.00 C +ATOM 232 CG ARG A 16 5.325 0.703 -4.024 1.00 0.00 C +ATOM 233 CD ARG A 16 4.678 2.015 -3.540 1.00 0.00 C +ATOM 234 NE ARG A 16 3.237 2.087 -3.842 1.00 0.00 N +ATOM 235 CZ ARG A 16 2.680 2.273 -5.035 1.00 0.00 C +ATOM 236 NH1 ARG A 16 3.403 2.443 -6.118 1.00 0.00 N +ATOM 237 NH2 ARG A 16 1.375 2.289 -5.163 1.00 0.00 N +ATOM 238 H ARG A 16 7.321 -1.668 -1.025 1.00 0.00 H +ATOM 239 HA ARG A 16 7.663 0.650 -2.853 1.00 0.00 H +ATOM 240 HB2 ARG A 16 5.853 -1.247 -3.334 1.00 0.00 H +ATOM 241 HB3 ARG A 16 4.890 -0.391 -2.200 1.00 0.00 H +ATOM 242 HG2 ARG A 16 6.212 0.951 -4.574 1.00 0.00 H +ATOM 243 HG3 ARG A 16 4.637 0.186 -4.695 1.00 0.00 H +ATOM 244 HD2 ARG A 16 4.810 2.091 -2.478 1.00 0.00 H +ATOM 245 HD3 ARG A 16 5.186 2.860 -4.006 1.00 0.00 H +ATOM 246 HE ARG A 16 2.615 2.042 -3.054 1.00 0.00 H +ATOM 247 HH11 ARG A 16 4.402 2.431 -6.023 1.00 0.00 H +ATOM 248 HH12 ARG A 16 2.980 2.582 -7.018 1.00 0.00 H +ATOM 249 HH21 ARG A 16 0.783 2.132 -4.366 1.00 0.00 H +ATOM 250 HH22 ARG A 16 0.966 2.417 -6.070 1.00 0.00 H +ATOM 251 N PRO A 17 7.089 2.310 -0.946 1.00 0.00 N +ATOM 252 CA PRO A 17 6.885 3.210 0.196 1.00 0.00 C +ATOM 253 C PRO A 17 5.393 3.477 0.503 1.00 0.00 C +ATOM 254 O PRO A 17 4.546 3.303 -0.377 1.00 0.00 O +ATOM 255 CB PRO A 17 7.623 4.504 -0.182 1.00 0.00 C +ATOM 256 CG PRO A 17 7.588 4.505 -1.707 1.00 0.00 C +ATOM 257 CD PRO A 17 7.737 3.023 -2.038 1.00 0.00 C +ATOM 258 HA PRO A 17 7.356 2.774 1.077 1.00 0.00 H +ATOM 259 HB2 PRO A 17 7.117 5.363 0.213 1.00 0.00 H +ATOM 260 HB3 PRO A 17 8.658 4.442 0.155 1.00 0.00 H +ATOM 261 HG2 PRO A 17 6.657 4.893 -2.074 1.00 0.00 H +ATOM 262 HG3 PRO A 17 8.394 5.099 -2.134 1.00 0.00 H +ATOM 263 HD2 PRO A 17 7.256 2.797 -2.970 1.00 0.00 H +ATOM 264 HD3 PRO A 17 8.794 2.757 -2.066 1.00 0.00 H +ATOM 265 N PRO A 18 5.059 3.929 1.730 1.00 0.00 N +ATOM 266 CA PRO A 18 3.682 4.205 2.144 1.00 0.00 C +ATOM 267 C PRO A 18 3.095 5.411 1.383 1.00 0.00 C +ATOM 268 O PRO A 18 3.661 6.502 1.452 1.00 0.00 O +ATOM 269 CB PRO A 18 3.748 4.459 3.655 1.00 0.00 C +ATOM 270 CG PRO A 18 5.175 4.956 3.878 1.00 0.00 C +ATOM 271 CD PRO A 18 5.977 4.185 2.832 1.00 0.00 C +ATOM 272 HA PRO A 18 3.080 3.317 1.975 1.00 0.00 H +ATOM 273 HB2 PRO A 18 3.033 5.203 3.949 1.00 0.00 H +ATOM 274 HB3 PRO A 18 3.609 3.517 4.186 1.00 0.00 H +ATOM 275 HG2 PRO A 18 5.245 6.014 3.714 1.00 0.00 H +ATOM 276 HG3 PRO A 18 5.524 4.748 4.890 1.00 0.00 H +ATOM 277 HD2 PRO A 18 6.810 4.771 2.495 1.00 0.00 H +ATOM 278 HD3 PRO A 18 6.310 3.236 3.253 1.00 0.00 H +ATOM 279 N PRO A 19 1.966 5.253 0.661 1.00 0.00 N +ATOM 280 CA PRO A 19 1.331 6.356 -0.052 1.00 0.00 C +ATOM 281 C PRO A 19 0.578 7.268 0.928 1.00 0.00 C +ATOM 282 O PRO A 19 -0.202 6.793 1.754 1.00 0.00 O +ATOM 283 CB PRO A 19 0.397 5.681 -1.061 1.00 0.00 C +ATOM 284 CG PRO A 19 -0.022 4.391 -0.357 1.00 0.00 C +ATOM 285 CD PRO A 19 1.197 4.027 0.492 1.00 0.00 C +ATOM 286 HA PRO A 19 2.080 6.941 -0.589 1.00 0.00 H +ATOM 287 HB2 PRO A 19 -0.455 6.299 -1.267 1.00 0.00 H +ATOM 288 HB3 PRO A 19 0.960 5.433 -1.961 1.00 0.00 H +ATOM 289 HG2 PRO A 19 -0.883 4.555 0.261 1.00 0.00 H +ATOM 290 HG3 PRO A 19 -0.265 3.606 -1.072 1.00 0.00 H +ATOM 291 HD2 PRO A 19 0.884 3.651 1.447 1.00 0.00 H +ATOM 292 HD3 PRO A 19 1.805 3.288 -0.030 1.00 0.00 H +ATOM 293 N SER A 20 0.794 8.581 0.820 1.00 0.00 N +ATOM 294 CA SER A 20 0.068 9.633 1.546 1.00 0.00 C +ATOM 295 C SER A 20 -0.019 10.895 0.692 1.00 0.00 C +ATOM 296 O SER A 20 0.894 11.061 -0.156 1.00 0.00 O +ATOM 297 CB SER A 20 0.690 9.909 2.920 1.00 0.00 C +ATOM 298 OG SER A 20 2.087 10.037 2.813 1.00 0.00 O +ATOM 299 OXT SER A 20 -1.022 11.612 0.858 1.00 0.00 O +ATOM 300 H SER A 20 1.377 8.948 0.073 1.00 0.00 H +ATOM 301 HA SER A 20 -0.962 9.316 1.705 1.00 0.00 H +ATOM 302 HB2 SER A 20 0.282 10.819 3.316 1.00 0.00 H +ATOM 303 HB3 SER A 20 0.461 9.076 3.584 1.00 0.00 H +ATOM 304 HG SER A 20 2.347 9.513 2.048 1.00 0.00 H +TER 305 SER A 20 +ENDMDL +MASTER 109 0 0 2 0 0 0 611552 38 0 2 +END diff --git a/examples/unres/CSA/GAB/CSA/local/pdb2int/1l2y_csa.CSA.native.int b/examples/unres/CSA/GAB/CSA/local/pdb2int/1l2y_csa.CSA.native.int new file mode 100644 index 0000000..dcee669 --- /dev/null +++ b/examples/unres/CSA/GAB/CSA/local/pdb2int/1l2y_csa.CSA.native.int @@ -0,0 +1,13 @@ + 0 1480.518 0 + 92.2388 92.2388 90.3570 89.0899 88.6572 93.0319 94.8258 87.9664 + 89.9076 100.1805 109.0732 89.5374 91.8151 101.7839 92.2014 133.2247 + 121.5017 117.9501 114.2013 114.2013 + -180.0000 45.8488 55.1936 49.3961 48.2980 46.8430 59.6233 56.6787 + -87.3042 -127.4990 4.2610 66.1079 70.1396 -108.9488 103.8242 -122.5265 + -90.2854 -108.3282 180.0000 + 90.5307 101.5748 163.1951 148.2278 164.5930 123.6495 156.2016 106.9744 + 153.4470 180.0000 180.0000 101.7709 144.5146 161.0471 180.0000 139.8455 + 115.6096 118.5749 118.9588 128.9250 + -178.4521 -78.5297 -7.4402 -110.3334 -141.6382 -21.9127 -108.7501 -55.9598 + -128.6458 180.0000 180.0000 -115.5797 -129.2177 -100.1770 180.0000 -132.7159 + -118.0237 -122.4174 -126.2067 -37.3415 diff --git a/examples/unres/CSA/GAB/CSA/local/pdb2int/1l2y_pdb.inp b/examples/unres/CSA/GAB/CSA/local/pdb2int/1l2y_pdb.inp new file mode 100644 index 0000000..5143186 --- /dev/null +++ b/examples/unres/CSA/GAB/CSA/local/pdb2int/1l2y_pdb.inp @@ -0,0 +1,11 @@ +1l2y +SEED=-3059743 PDBREF RESCALE_MODE=0 PDBSTART OVERLAP NOSEARCHSC +WLONG=1.35279 WSCP=1.59304 WELEC=0.71534 WBOND=1.00000 WANG=1.13873 & +WSCLOC=0.16258 WTOR=1.98599 WTORD=1.57069 WCORRH=0.42887 WCORR5=0.00000 & +WCORR6=0.00000 WEL_LOC=0.16036 WTURN3=1.68722 WTURN4=0.66230 WTURN6=0.00000 & +WVDWPP=0.11371 WHPB=1.00000 WSCCOR=0.00000 & +WDFAD=0.0 WDFAT=0.0 WDFAN=0.0 WDFAB=0.0 & +CUTOFF=7.00000 WCORR4=0.00000 +1l2y.pdb +0 +0 diff --git a/examples/unres/CSA/GAB/CSA/local/pdb2int/1l2y_pdb.intin b/examples/unres/CSA/GAB/CSA/local/pdb2int/1l2y_pdb.intin new file mode 100644 index 0000000..e69de29 diff --git a/examples/unres/CSA/GAB/CSA/local/pdb2int/1l2y_pdb.out_GB000 b/examples/unres/CSA/GAB/CSA/local/pdb2int/1l2y_pdb.out_GB000 new file mode 100644 index 0000000..ef1f99e --- /dev/null +++ b/examples/unres/CSA/GAB/CSA/local/pdb2int/1l2y_pdb.out_GB000 @@ -0,0 +1,282 @@ +-------------------------------------------------------------------------------- + FILE ASSIGNMENT +-------------------------------------------------------------------------------- + Input file : 1l2y_pdb.inp + Output file : 1l2y_pdb.out_GB000 + + Sidechain potential file : + /users/bartek/UNRESPACK/unres/PARAM/sc_GB_opt.1gab_3S_qclass5no310-shan2-sc-16- + 10-8k + SCp potential file : /users/bartek/UNRESPACK/unres/PARAM/scp.parm + Electrostatic potential file : + /users/bartek/UNRESPACK/unres/PARAM/electr_631Gdp.parm + Cumulant coefficient file : + /users/bartek/UNRESPACK/unres/PARAM/fourier_opt.parm.1igd_hc_iter3_3 + Torsional parameter file : + /users/bartek/UNRESPACK/unres/PARAM/torsion_631Gdp.parm + Double torsional parameter file : + /users/bartek/UNRESPACK/unres/PARAM/torsion_double_631Gdp.parm + SCCOR parameter file : /users/bartek/UNRESPACK/unres/PARAM/rotcorr_AM1.parm + Bond & inertia constant file : /users/bartek/UNRESPACK/unres/PARAM/bond.parm + Bending parameter file : + /users/bartek/UNRESPACK/unres/PARAM/thetaml.5parm + Rotamer parameter file : + /users/bartek/UNRESPACK/unres/PARAM/scgauss.parm + Threading database : + /users/bartek/UNRESPACK/unres/PARAM/patterns.cart +-------------------------------------------------------------------------------- +******************************************************************************** +United-residue force field calculation - parallel job. +******************************************************************************** + ### LAST MODIFIED 11/03/09 1:19PM by czarek + ++++ Compile info ++++ + Version CSA and DFA only + +Potential is GB , exponents are 6 12 + +Disulfide bridge parameters: +S-S bridge energy: -5.50 +d0cm: 3.78 akcm: 15.10 +akth: 11.00 akct: 12.00 +v1ss: -1.08 v2ss: 7.61 v3ss: 13.70 + MPI: node= 0 iseed= -3059742 + ran_num 0.273754117333397 +RMSDBC = 3.0 +RMSDBC1 = 0.5 +RMSDBC1MAX = 1.5 +DRMS = 0.1 +RMSDBCM = 3.0 +Time limit (min): 960.0 + RESCALE_MODE 0 +Library routine used to diagonalize matrices. + +Energy-term weights (unscaled): + +WSCC= 1.352790 (SC-SC) +WSCP= 1.593040 (SC-p) +WELEC= 0.715340 (p-p electr) +WVDWPP= 0.113710 (p-p VDW) +WBOND= 1.000000 (stretching) +WANG= 1.138730 (bending) +WSCLOC= 0.162580 (SC local) +WTOR= 1.985990 (torsional) +WTORD= 1.570690 (double torsional) +WSTRAIN= 1.000000 (SS bridges & dist. cnstr.) +WEL_LOC= 0.160360 (multi-body 3-rd order) +WCORR4= 0.428870 (multi-body 4th order) +WCORR5= 0.000000 (multi-body 5th order) +WCORR6= 0.000000 (multi-body 6th order) +WSCCOR= 0.000000 (back-scloc correlation) +WTURN3= 1.687220 (turns, 3rd order) +WTURN4= 0.662300 (turns, 4th order) +WTURN6= 0.000000 (turns, 6th order) +WDFA_D= 0.000000 (DFA, distance) +WDFA_T= 0.000000 (DFA, torsional) +WDFA_N= 0.000000 (DFA, number of neighbor) +WDFA_B= 0.000000 (DFA, beta formation) + +Hydrogen-bonding correlation between contact pairs of peptide groups + +Scaling factor of 1,4 SC-p interactions: 0.400 +General scaling factor of SC-p interactions: 1.000 + +Energy-term weights (scaled): + +WSCC= 1.352790 (SC-SC) +WSCP= 1.593040 (SC-p) +WELEC= 0.715340 (p-p electr) +WVDWPP= 0.113710 (p-p VDW) +WBOND= 1.000000 (stretching) +WANG= 1.138730 (bending) +WSCLOC= 0.162580 (SC local) +WTOR= 1.985990 (torsional) +WTORD= 1.570690 (double torsional) +WSTRAIN= 1.000000 (SS bridges & dist. cnstr.) +WEL_LOC= 0.160360 (multi-body 3-rd order) +WCORR4= 0.428870 (multi-body 4th order) +WCORR5= 0.000000 (multi-body 5th order) +WCORR6= 0.000000 (multi-body 6th order) +WSCCOR= 0.000000 (back-scloc correlatkion) +WTURN3= 1.687220 (turns, 3rd order) +WTURN4= 0.662300 (turns, 4th order) +WTURN6= 0.000000 (turns, 6th order) +WDFA_D= 0.000000 (DFA, distance) +WDFA_T= 0.000000 (DFA, torsional) +WDFA_N= 0.000000 (DFA, number of neighbor) +WDFA_B= 0.000000 (DFA, beta formation) + Reference temperature for weights calculation: 300.000000000000 + Parameters of the SS-bond potential: + D0CM 3.78000000000000 AKCM 15.1000000000000 AKTH + 11.0000000000000 AKCT 12.0000000000000 + V1SS -1.08000000000000 V2SS 7.61000000000000 V3SS + 13.7000000000000 + EBR -5.50000000000000 +PDB data will be read from file 1l2y.pdb + Nres: 21 +Backbone and SC coordinates as read from the PDB + 1 21 D -9.841 4.399 -5.051 -9.841 4.399 -5.051 + 2 14 ASN -8.608 3.135 -1.618 -10.909 3.249 -2.846 + 3 5 LEU -4.923 4.002 -2.452 -4.502 6.849 -1.550 + 4 8 TYR -3.690 2.738 0.981 -1.959 3.143 3.797 + 5 4 ILE -5.857 -0.449 0.613 -7.910 -0.417 1.393 + 6 13 GLN -4.122 -1.167 -2.743 -5.540 -1.315 -5.233 + 7 7 TRP -0.716 -0.631 -0.993 1.727 0.440 1.450 + 8 5 LEU -1.641 -2.932 1.963 -2.262 -1.871 4.556 + 9 19 LYS -3.024 -5.791 -0.269 -3.820 -5.527 -3.146 + 10 16 ASP 0.466 -6.016 -1.905 0.653 -5.125 -3.676 + 11 10 GLY 2.060 -6.618 1.593 2.060 -6.618 1.593 + 12 10 GLY 2.626 -2.967 2.723 2.626 -2.967 2.723 + 13 20 PRO 6.333 -2.533 3.806 5.724 -2.372 5.058 + 14 12 SER 7.049 -6.179 2.704 6.757 -6.938 3.675 + 15 12 SER 6.389 -5.315 -1.015 5.245 -5.350 -1.546 + 16 10 GLY 9.451 -3.116 -1.870 9.451 -3.116 -1.870 + 17 18 ARG 7.289 0.084 -2.054 5.225 -1.826 -3.986 + 18 20 PRO 6.782 3.088 0.345 7.458 3.741 -0.688 + 19 20 PRO 3.287 4.031 1.686 4.025 4.206 2.856 + 20 20 PRO 1.185 6.543 -0.353 0.358 5.421 -0.430 + 21 12 SER 0.852 10.027 1.285 1.151 10.636 1.488 + 22 21 D -1.250 12.539 -0.754 -1.250 12.539 -0.754 +nsup= 20 nstart_sup= 2 + ITEL + 1 21 0 + 2 14 1 + 3 5 1 + 4 8 1 + 5 4 1 + 6 13 1 + 7 7 1 + 8 5 1 + 9 19 1 + 10 16 1 + 11 10 1 + 12 10 2 + 13 20 1 + 14 12 1 + 15 12 1 + 16 10 1 + 17 18 2 + 18 20 2 + 19 20 2 + 20 20 1 + 21 12 0 + ns= 0 iss: +Boundaries in phi angle sampling: +D 1 -180.0 180.0 +ASN 2 -180.0 180.0 +LEU 3 -180.0 180.0 +TYR 4 -180.0 180.0 +ILE 5 -180.0 180.0 +GLN 6 -180.0 180.0 +TRP 7 -180.0 180.0 +LEU 8 -180.0 180.0 +LYS 9 -180.0 180.0 +ASP 10 -180.0 180.0 +GLY 11 -180.0 180.0 +GLY 12 -180.0 180.0 +PRO 13 -180.0 180.0 +SER 14 -180.0 180.0 +SER 15 -180.0 180.0 +GLY 16 -180.0 180.0 +ARG 17 -180.0 180.0 +PRO 18 -180.0 180.0 +PRO 19 -180.0 180.0 +PRO 20 -180.0 180.0 +SER 21 -180.0 180.0 +D 22 -180.0 180.0 +dist_dfa.dat is opened! +phi_dfa.dat is opened! +theta_dfa.dat is opened! +nei_dfa.dat is opened! +beta_dfa.dat is opened! +nsup= 20 + nsup= 20 nstart_sup= 2 nstart_seq= 2 + NZ_START= 2 NZ_END= 21 + IZ_SC= 0 + Processor 0 CG group 0 absolute rank 0 nhpb + 0 link_start= 1 link_end 0 + Contact order: 0.337121212121212 + Shifting contacts: 2 2 + 1 TRP 7 TYR 4 + 2 LEU 8 TYR 4 + 3 LYS 9 GLN 6 + 4 GLY 12 TRP 7 + 5 GLY 12 LEU 8 + 6 SER 14 GLY 11 + 7 SER 15 ASP 10 + 8 SER 15 GLY 11 + 9 PRO 19 TRP 7 + 10 PRO 20 LEU 3 + 11 PRO 20 TYR 4 + 12 PRO 20 TRP 7 + +Geometry of the virtual chain. + Res d Theta Gamma Dsc Alpha Beta +D 1 0.000 0.000 0.000 0.000 0.000 0.000 +ASN 2 3.861 0.000 0.000 2.611 90.531 -178.452 +LEU 3 3.876 92.239 0.000 3.016 101.575 -78.530 +TYR 4 3.861 92.239 -180.000 3.330 163.195 -7.440 +ILE 5 3.871 90.357 45.849 2.196 148.228 -110.333 +GLN 6 3.846 89.090 55.194 2.869 164.593 -141.638 +TRP 7 3.867 88.657 49.396 3.617 123.650 -21.913 +LEU 8 3.859 93.032 48.298 2.869 156.202 -108.750 +LYS 9 3.882 94.826 46.843 2.997 106.974 -55.960 +ASP 10 3.861 87.966 59.623 1.991 153.447 -128.646 +GLY 11 3.891 89.908 56.679 0.000 0.000 0.000 +GLY 12 3.864 100.181 -87.304 0.000 0.000 0.000 +PRO 13 3.886 109.073 -127.499 1.402 101.771 -115.580 +SER 14 3.876 89.537 4.261 1.267 144.515 -129.218 +SER 15 3.875 91.815 66.108 1.262 161.047 -100.177 +GLY 16 3.866 101.784 70.140 0.000 0.000 0.000 +ARG 17 3.866 92.201 -108.949 3.411 139.846 -132.716 +PRO 18 3.878 133.225 103.824 1.397 115.610 -118.024 +PRO 19 3.860 121.502 -122.527 1.395 118.575 -122.417 +PRO 20 3.858 117.950 -90.285 1.396 118.959 -126.207 +SER 21 3.864 114.201 -108.328 0.708 128.925 -37.341 +D 22 3.858 114.201 180.000 0.000 0.000 0.000 + + +******************************************************************************** + Processor 0: end reading molecular data. +******************************************************************************** + + +Energy evaluation or minimization calculation. + +******************************************************************************** + + Time for energy evaluation 0.000000000000000E+000 + +Virtual-chain energies: + +EVDW= -1.313715E+01 WEIGHT= 1.352790D+00 (SC-SC) +EVDW2= 4.471415E+01 WEIGHT= 1.593040D+00 (SC-p) +EES= -9.165378E+01 WEIGHT= 7.153400D-01 (p-p) +EVDWPP= -3.362882E+01 WEIGHT= 1.137100D-01 (p-p VDW) +ESTR= 1.489925E+03 WEIGHT= 1.000000D+00 (stretching) +EBE= -3.261471E+01 WEIGHT= 1.138730D+00 (bending) +ESC= 6.169976E+01 WEIGHT= 1.625800D-01 (SC local) +ETORS= 1.479510E+01 WEIGHT= 1.985990D+00 (torsional) +ETORSD= 1.006444E+00 WEIGHT= 1.570690D+00 (double torsional) +EHBP= 0.000000E+00 WEIGHT= 1.000000D+00 (SS bridges & dist. cnstr.) +ECORR4= -6.528803E+01 WEIGHT= 4.288700D-01 (multi-body) +ECORR5= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body) +ECORR6= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body) +EELLO= -4.012900E+00 WEIGHT= 1.603600D-01 (electrostatic-local) +ETURN3= 1.829789E+01 WEIGHT= 1.687220D+00 (turns, 3rd order) +ETURN4= 6.580750E-01 WEIGHT= 6.623000D-01 (turns, 4th order) +ETURN6= 0.000000E+00 WEIGHT= 0.000000D+00 (turns, 6th order) +ESCCOR= 0.000000E+00 WEIGHT= 0.000000D+00 (backbone-rotamer corr) +EDIHC= 0.000000E+00 (dihedral angle constraints) +ESS= 0.000000E+00 (disulfide-bridge intrinsic energy) +UCONST= 0.000000E+00 (Constraint energy) +EDFAD= 0.000000E+00 (DFA distance energy) +EDFAT= 0.000000E+00 (DFA torsion energy) +EDFAN= 0.000000E+00 (DFA NCa energy) +EDFAB= 0.000000E+00 (DFA Beta energy) +ETOT= 1.480518E+03 (total) +RMS deviation from the reference structure: 0.000 + % of native contacts: 100.000 + % of nonnative contacts: 0.000 + contact order: 0.337 +CG processor 0 is finishing work. + Total wall clock time 1.12500000000000 sec diff --git a/examples/unres/CSA/GAB/CSA/local/pdb2int/1l2y_pdb.out_GB001 b/examples/unres/CSA/GAB/CSA/local/pdb2int/1l2y_pdb.out_GB001 new file mode 100644 index 0000000..bfa32b0 --- /dev/null +++ b/examples/unres/CSA/GAB/CSA/local/pdb2int/1l2y_pdb.out_GB001 @@ -0,0 +1,221 @@ +******************************************************************************** +United-residue force field calculation - parallel job. +******************************************************************************** + MPI: node= 1 iseed= -6119485 + ran_num 0.547506363186177 +RMSDBC = 3.0 +RMSDBC1 = 0.5 +RMSDBC1MAX = 1.5 +DRMS = 0.1 +RMSDBCM = 3.0 +Time limit (min): 960.0 + RESCALE_MODE 0 +Library routine used to diagonalize matrices. + +Energy-term weights (unscaled): + +WSCC= 1.352790 (SC-SC) +WSCP= 1.593040 (SC-p) +WELEC= 0.715340 (p-p electr) +WVDWPP= 0.113710 (p-p VDW) +WBOND= 1.000000 (stretching) +WANG= 1.138730 (bending) +WSCLOC= 0.162580 (SC local) +WTOR= 1.985990 (torsional) +WTORD= 1.570690 (double torsional) +WSTRAIN= 1.000000 (SS bridges & dist. cnstr.) +WEL_LOC= 0.160360 (multi-body 3-rd order) +WCORR4= 0.428870 (multi-body 4th order) +WCORR5= 0.000000 (multi-body 5th order) +WCORR6= 0.000000 (multi-body 6th order) +WSCCOR= 0.000000 (back-scloc correlation) +WTURN3= 1.687220 (turns, 3rd order) +WTURN4= 0.662300 (turns, 4th order) +WTURN6= 0.000000 (turns, 6th order) +WDFA_D= 0.000000 (DFA, distance) +WDFA_T= 0.000000 (DFA, torsional) +WDFA_N= 0.000000 (DFA, number of neighbor) +WDFA_B= 0.000000 (DFA, beta formation) + +Hydrogen-bonding correlation between contact pairs of peptide groups + +Scaling factor of 1,4 SC-p interactions: 0.400 +General scaling factor of SC-p interactions: 1.000 + +Energy-term weights (scaled): + +WSCC= 1.352790 (SC-SC) +WSCP= 1.593040 (SC-p) +WELEC= 0.715340 (p-p electr) +WVDWPP= 0.113710 (p-p VDW) +WBOND= 1.000000 (stretching) +WANG= 1.138730 (bending) +WSCLOC= 0.162580 (SC local) +WTOR= 1.985990 (torsional) +WTORD= 1.570690 (double torsional) +WSTRAIN= 1.000000 (SS bridges & dist. cnstr.) +WEL_LOC= 0.160360 (multi-body 3-rd order) +WCORR4= 0.428870 (multi-body 4th order) +WCORR5= 0.000000 (multi-body 5th order) +WCORR6= 0.000000 (multi-body 6th order) +WSCCOR= 0.000000 (back-scloc correlatkion) +WTURN3= 1.687220 (turns, 3rd order) +WTURN4= 0.662300 (turns, 4th order) +WTURN6= 0.000000 (turns, 6th order) +WDFA_D= 0.000000 (DFA, distance) +WDFA_T= 0.000000 (DFA, torsional) +WDFA_N= 0.000000 (DFA, number of neighbor) +WDFA_B= 0.000000 (DFA, beta formation) + Reference temperature for weights calculation: 300.000000000000 + Parameters of the SS-bond potential: + D0CM 3.78000000000000 AKCM 15.1000000000000 AKTH + 11.0000000000000 AKCT 12.0000000000000 + V1SS -1.08000000000000 V2SS 7.61000000000000 V3SS + 13.7000000000000 + EBR -5.50000000000000 +PDB data will be read from file 1l2y.pdb + Nres: 21 +Backbone and SC coordinates as read from the PDB + 1 21 D -9.841 4.399 -5.051 -9.841 4.399 -5.051 + 2 14 ASN -8.608 3.135 -1.618 -10.909 3.249 -2.846 + 3 5 LEU -4.923 4.002 -2.452 -4.502 6.849 -1.550 + 4 8 TYR -3.690 2.738 0.981 -1.959 3.143 3.797 + 5 4 ILE -5.857 -0.449 0.613 -7.910 -0.417 1.393 + 6 13 GLN -4.122 -1.167 -2.743 -5.540 -1.315 -5.233 + 7 7 TRP -0.716 -0.631 -0.993 1.727 0.440 1.450 + 8 5 LEU -1.641 -2.932 1.963 -2.262 -1.871 4.556 + 9 19 LYS -3.024 -5.791 -0.269 -3.820 -5.527 -3.146 + 10 16 ASP 0.466 -6.016 -1.905 0.653 -5.125 -3.676 + 11 10 GLY 2.060 -6.618 1.593 2.060 -6.618 1.593 + 12 10 GLY 2.626 -2.967 2.723 2.626 -2.967 2.723 + 13 20 PRO 6.333 -2.533 3.806 5.724 -2.372 5.058 + 14 12 SER 7.049 -6.179 2.704 6.757 -6.938 3.675 + 15 12 SER 6.389 -5.315 -1.015 5.245 -5.350 -1.546 + 16 10 GLY 9.451 -3.116 -1.870 9.451 -3.116 -1.870 + 17 18 ARG 7.289 0.084 -2.054 5.225 -1.826 -3.986 + 18 20 PRO 6.782 3.088 0.345 7.458 3.741 -0.688 + 19 20 PRO 3.287 4.031 1.686 4.025 4.206 2.856 + 20 20 PRO 1.185 6.543 -0.353 0.358 5.421 -0.430 + 21 12 SER 0.852 10.027 1.285 1.151 10.636 1.488 + 22 21 D -1.250 12.539 -0.754 -1.250 12.539 -0.754 +nsup= 20 nstart_sup= 2 + ITEL + 1 21 0 + 2 14 1 + 3 5 1 + 4 8 1 + 5 4 1 + 6 13 1 + 7 7 1 + 8 5 1 + 9 19 1 + 10 16 1 + 11 10 1 + 12 10 2 + 13 20 1 + 14 12 1 + 15 12 1 + 16 10 1 + 17 18 2 + 18 20 2 + 19 20 2 + 20 20 1 + 21 12 0 + ns= 0 iss: +dist_dfa.dat is opened! +phi_dfa.dat is opened! +theta_dfa.dat is opened! +nei_dfa.dat is opened! +beta_dfa.dat is opened! +nsup= 20 + nsup= 20 nstart_sup= 2 nstart_seq= 2 + NZ_START= 2 NZ_END= 21 + IZ_SC= 0 + Processor 0 CG group 0 absolute rank 1 nhpb + 0 link_start= 1 link_end 0 + Contact order: 0.337121212121212 + Shifting contacts: 2 2 + 1 TRP 7 TYR 4 + 2 LEU 8 TYR 4 + 3 LYS 9 GLN 6 + 4 GLY 12 TRP 7 + 5 GLY 12 LEU 8 + 6 SER 14 GLY 11 + 7 SER 15 ASP 10 + 8 SER 15 GLY 11 + 9 PRO 19 TRP 7 + 10 PRO 20 LEU 3 + 11 PRO 20 TYR 4 + 12 PRO 20 TRP 7 + +Geometry of the virtual chain. + Res d Theta Gamma Dsc Alpha Beta +D 1 0.000 0.000 0.000 0.000 0.000 0.000 +ASN 2 3.861 0.000 0.000 2.611 90.531 -178.452 +LEU 3 3.876 92.239 0.000 3.016 101.575 -78.530 +TYR 4 3.861 92.239 -180.000 3.330 163.195 -7.440 +ILE 5 3.871 90.357 45.849 2.196 148.228 -110.333 +GLN 6 3.846 89.090 55.194 2.869 164.593 -141.638 +TRP 7 3.867 88.657 49.396 3.617 123.650 -21.913 +LEU 8 3.859 93.032 48.298 2.869 156.202 -108.750 +LYS 9 3.882 94.826 46.843 2.997 106.974 -55.960 +ASP 10 3.861 87.966 59.623 1.991 153.447 -128.646 +GLY 11 3.891 89.908 56.679 0.000 0.000 0.000 +GLY 12 3.864 100.181 -87.304 0.000 0.000 0.000 +PRO 13 3.886 109.073 -127.499 1.402 101.771 -115.580 +SER 14 3.876 89.537 4.261 1.267 144.515 -129.218 +SER 15 3.875 91.815 66.108 1.262 161.047 -100.177 +GLY 16 3.866 101.784 70.140 0.000 0.000 0.000 +ARG 17 3.866 92.201 -108.949 3.411 139.846 -132.716 +PRO 18 3.878 133.225 103.824 1.397 115.610 -118.024 +PRO 19 3.860 121.502 -122.527 1.395 118.575 -122.417 +PRO 20 3.858 117.950 -90.285 1.396 118.959 -126.207 +SER 21 3.864 114.201 -108.328 0.708 128.925 -37.341 +D 22 3.858 114.201 180.000 0.000 0.000 0.000 + + +******************************************************************************** + Processor 1: end reading molecular data. +******************************************************************************** + + +Energy evaluation or minimization calculation. + +******************************************************************************** + + Time for energy evaluation 0.000000000000000E+000 + +Virtual-chain energies: + +EVDW= -1.313715E+01 WEIGHT= 1.352790D+00 (SC-SC) +EVDW2= 4.471415E+01 WEIGHT= 1.593040D+00 (SC-p) +EES= -9.165378E+01 WEIGHT= 7.153400D-01 (p-p) +EVDWPP= -3.362882E+01 WEIGHT= 1.137100D-01 (p-p VDW) +ESTR= 1.489925E+03 WEIGHT= 1.000000D+00 (stretching) +EBE= -3.261471E+01 WEIGHT= 1.138730D+00 (bending) +ESC= 6.169976E+01 WEIGHT= 1.625800D-01 (SC local) +ETORS= 1.479510E+01 WEIGHT= 1.985990D+00 (torsional) +ETORSD= 1.006444E+00 WEIGHT= 1.570690D+00 (double torsional) +EHBP= 0.000000E+00 WEIGHT= 1.000000D+00 (SS bridges & dist. cnstr.) +ECORR4= -6.528803E+01 WEIGHT= 4.288700D-01 (multi-body) +ECORR5= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body) +ECORR6= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body) +EELLO= -4.012900E+00 WEIGHT= 1.603600D-01 (electrostatic-local) +ETURN3= 1.829789E+01 WEIGHT= 1.687220D+00 (turns, 3rd order) +ETURN4= 6.580750E-01 WEIGHT= 6.623000D-01 (turns, 4th order) +ETURN6= 0.000000E+00 WEIGHT= 0.000000D+00 (turns, 6th order) +ESCCOR= 0.000000E+00 WEIGHT= 0.000000D+00 (backbone-rotamer corr) +EDIHC= 0.000000E+00 (dihedral angle constraints) +ESS= 0.000000E+00 (disulfide-bridge intrinsic energy) +UCONST= 0.000000E+00 (Constraint energy) +EDFAD= 0.000000E+00 (DFA distance energy) +EDFAT= 0.000000E+00 (DFA torsion energy) +EDFAN= 0.000000E+00 (DFA NCa energy) +EDFAB= 0.000000E+00 (DFA Beta energy) +ETOT= 1.480518E+03 (total) +RMS deviation from the reference structure: 0.000 + % of native contacts: 100.000 + % of nonnative contacts: 0.000 + contact order: 0.337 +CG processor 1 is finishing work. + Total wall clock time 1.11328125000000 sec diff --git a/examples/unres/CSA/GAB/CSA/local/pdb2int/1l2y_pdb.out_GB002 b/examples/unres/CSA/GAB/CSA/local/pdb2int/1l2y_pdb.out_GB002 new file mode 100644 index 0000000..22e8c10 --- /dev/null +++ b/examples/unres/CSA/GAB/CSA/local/pdb2int/1l2y_pdb.out_GB002 @@ -0,0 +1,221 @@ +******************************************************************************** +United-residue force field calculation - parallel job. +******************************************************************************** + MPI: node= 2 iseed= -9179228 + ran_num 0.821258609038956 +RMSDBC = 3.0 +RMSDBC1 = 0.5 +RMSDBC1MAX = 1.5 +DRMS = 0.1 +RMSDBCM = 3.0 +Time limit (min): 960.0 + RESCALE_MODE 0 +Library routine used to diagonalize matrices. + +Energy-term weights (unscaled): + +WSCC= 1.352790 (SC-SC) +WSCP= 1.593040 (SC-p) +WELEC= 0.715340 (p-p electr) +WVDWPP= 0.113710 (p-p VDW) +WBOND= 1.000000 (stretching) +WANG= 1.138730 (bending) +WSCLOC= 0.162580 (SC local) +WTOR= 1.985990 (torsional) +WTORD= 1.570690 (double torsional) +WSTRAIN= 1.000000 (SS bridges & dist. cnstr.) +WEL_LOC= 0.160360 (multi-body 3-rd order) +WCORR4= 0.428870 (multi-body 4th order) +WCORR5= 0.000000 (multi-body 5th order) +WCORR6= 0.000000 (multi-body 6th order) +WSCCOR= 0.000000 (back-scloc correlation) +WTURN3= 1.687220 (turns, 3rd order) +WTURN4= 0.662300 (turns, 4th order) +WTURN6= 0.000000 (turns, 6th order) +WDFA_D= 0.000000 (DFA, distance) +WDFA_T= 0.000000 (DFA, torsional) +WDFA_N= 0.000000 (DFA, number of neighbor) +WDFA_B= 0.000000 (DFA, beta formation) + +Hydrogen-bonding correlation between contact pairs of peptide groups + +Scaling factor of 1,4 SC-p interactions: 0.400 +General scaling factor of SC-p interactions: 1.000 + +Energy-term weights (scaled): + +WSCC= 1.352790 (SC-SC) +WSCP= 1.593040 (SC-p) +WELEC= 0.715340 (p-p electr) +WVDWPP= 0.113710 (p-p VDW) +WBOND= 1.000000 (stretching) +WANG= 1.138730 (bending) +WSCLOC= 0.162580 (SC local) +WTOR= 1.985990 (torsional) +WTORD= 1.570690 (double torsional) +WSTRAIN= 1.000000 (SS bridges & dist. cnstr.) +WEL_LOC= 0.160360 (multi-body 3-rd order) +WCORR4= 0.428870 (multi-body 4th order) +WCORR5= 0.000000 (multi-body 5th order) +WCORR6= 0.000000 (multi-body 6th order) +WSCCOR= 0.000000 (back-scloc correlatkion) +WTURN3= 1.687220 (turns, 3rd order) +WTURN4= 0.662300 (turns, 4th order) +WTURN6= 0.000000 (turns, 6th order) +WDFA_D= 0.000000 (DFA, distance) +WDFA_T= 0.000000 (DFA, torsional) +WDFA_N= 0.000000 (DFA, number of neighbor) +WDFA_B= 0.000000 (DFA, beta formation) + Reference temperature for weights calculation: 300.000000000000 + Parameters of the SS-bond potential: + D0CM 3.78000000000000 AKCM 15.1000000000000 AKTH + 11.0000000000000 AKCT 12.0000000000000 + V1SS -1.08000000000000 V2SS 7.61000000000000 V3SS + 13.7000000000000 + EBR -5.50000000000000 +PDB data will be read from file 1l2y.pdb + Nres: 21 +Backbone and SC coordinates as read from the PDB + 1 21 D -9.841 4.399 -5.051 -9.841 4.399 -5.051 + 2 14 ASN -8.608 3.135 -1.618 -10.909 3.249 -2.846 + 3 5 LEU -4.923 4.002 -2.452 -4.502 6.849 -1.550 + 4 8 TYR -3.690 2.738 0.981 -1.959 3.143 3.797 + 5 4 ILE -5.857 -0.449 0.613 -7.910 -0.417 1.393 + 6 13 GLN -4.122 -1.167 -2.743 -5.540 -1.315 -5.233 + 7 7 TRP -0.716 -0.631 -0.993 1.727 0.440 1.450 + 8 5 LEU -1.641 -2.932 1.963 -2.262 -1.871 4.556 + 9 19 LYS -3.024 -5.791 -0.269 -3.820 -5.527 -3.146 + 10 16 ASP 0.466 -6.016 -1.905 0.653 -5.125 -3.676 + 11 10 GLY 2.060 -6.618 1.593 2.060 -6.618 1.593 + 12 10 GLY 2.626 -2.967 2.723 2.626 -2.967 2.723 + 13 20 PRO 6.333 -2.533 3.806 5.724 -2.372 5.058 + 14 12 SER 7.049 -6.179 2.704 6.757 -6.938 3.675 + 15 12 SER 6.389 -5.315 -1.015 5.245 -5.350 -1.546 + 16 10 GLY 9.451 -3.116 -1.870 9.451 -3.116 -1.870 + 17 18 ARG 7.289 0.084 -2.054 5.225 -1.826 -3.986 + 18 20 PRO 6.782 3.088 0.345 7.458 3.741 -0.688 + 19 20 PRO 3.287 4.031 1.686 4.025 4.206 2.856 + 20 20 PRO 1.185 6.543 -0.353 0.358 5.421 -0.430 + 21 12 SER 0.852 10.027 1.285 1.151 10.636 1.488 + 22 21 D -1.250 12.539 -0.754 -1.250 12.539 -0.754 +nsup= 20 nstart_sup= 2 + ITEL + 1 21 0 + 2 14 1 + 3 5 1 + 4 8 1 + 5 4 1 + 6 13 1 + 7 7 1 + 8 5 1 + 9 19 1 + 10 16 1 + 11 10 1 + 12 10 2 + 13 20 1 + 14 12 1 + 15 12 1 + 16 10 1 + 17 18 2 + 18 20 2 + 19 20 2 + 20 20 1 + 21 12 0 + ns= 0 iss: +dist_dfa.dat is opened! +phi_dfa.dat is opened! +theta_dfa.dat is opened! +nei_dfa.dat is opened! +beta_dfa.dat is opened! +nsup= 20 + nsup= 20 nstart_sup= 2 nstart_seq= 2 + NZ_START= 2 NZ_END= 21 + IZ_SC= 0 + Processor 0 CG group 0 absolute rank 2 nhpb + 0 link_start= 1 link_end 0 + Contact order: 0.337121212121212 + Shifting contacts: 2 2 + 1 TRP 7 TYR 4 + 2 LEU 8 TYR 4 + 3 LYS 9 GLN 6 + 4 GLY 12 TRP 7 + 5 GLY 12 LEU 8 + 6 SER 14 GLY 11 + 7 SER 15 ASP 10 + 8 SER 15 GLY 11 + 9 PRO 19 TRP 7 + 10 PRO 20 LEU 3 + 11 PRO 20 TYR 4 + 12 PRO 20 TRP 7 + +Geometry of the virtual chain. + Res d Theta Gamma Dsc Alpha Beta +D 1 0.000 0.000 0.000 0.000 0.000 0.000 +ASN 2 3.861 0.000 0.000 2.611 90.531 -178.452 +LEU 3 3.876 92.239 0.000 3.016 101.575 -78.530 +TYR 4 3.861 92.239 -180.000 3.330 163.195 -7.440 +ILE 5 3.871 90.357 45.849 2.196 148.228 -110.333 +GLN 6 3.846 89.090 55.194 2.869 164.593 -141.638 +TRP 7 3.867 88.657 49.396 3.617 123.650 -21.913 +LEU 8 3.859 93.032 48.298 2.869 156.202 -108.750 +LYS 9 3.882 94.826 46.843 2.997 106.974 -55.960 +ASP 10 3.861 87.966 59.623 1.991 153.447 -128.646 +GLY 11 3.891 89.908 56.679 0.000 0.000 0.000 +GLY 12 3.864 100.181 -87.304 0.000 0.000 0.000 +PRO 13 3.886 109.073 -127.499 1.402 101.771 -115.580 +SER 14 3.876 89.537 4.261 1.267 144.515 -129.218 +SER 15 3.875 91.815 66.108 1.262 161.047 -100.177 +GLY 16 3.866 101.784 70.140 0.000 0.000 0.000 +ARG 17 3.866 92.201 -108.949 3.411 139.846 -132.716 +PRO 18 3.878 133.225 103.824 1.397 115.610 -118.024 +PRO 19 3.860 121.502 -122.527 1.395 118.575 -122.417 +PRO 20 3.858 117.950 -90.285 1.396 118.959 -126.207 +SER 21 3.864 114.201 -108.328 0.708 128.925 -37.341 +D 22 3.858 114.201 180.000 0.000 0.000 0.000 + + +******************************************************************************** + Processor 2: end reading molecular data. +******************************************************************************** + + +Energy evaluation or minimization calculation. + +******************************************************************************** + + Time for energy evaluation 0.000000000000000E+000 + +Virtual-chain energies: + +EVDW= -1.313715E+01 WEIGHT= 1.352790D+00 (SC-SC) +EVDW2= 4.471415E+01 WEIGHT= 1.593040D+00 (SC-p) +EES= -9.165378E+01 WEIGHT= 7.153400D-01 (p-p) +EVDWPP= -3.362882E+01 WEIGHT= 1.137100D-01 (p-p VDW) +ESTR= 1.489925E+03 WEIGHT= 1.000000D+00 (stretching) +EBE= -3.261471E+01 WEIGHT= 1.138730D+00 (bending) +ESC= 6.169976E+01 WEIGHT= 1.625800D-01 (SC local) +ETORS= 1.479510E+01 WEIGHT= 1.985990D+00 (torsional) +ETORSD= 1.006444E+00 WEIGHT= 1.570690D+00 (double torsional) +EHBP= 0.000000E+00 WEIGHT= 1.000000D+00 (SS bridges & dist. cnstr.) +ECORR4= -6.528803E+01 WEIGHT= 4.288700D-01 (multi-body) +ECORR5= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body) +ECORR6= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body) +EELLO= -4.012900E+00 WEIGHT= 1.603600D-01 (electrostatic-local) +ETURN3= 1.829789E+01 WEIGHT= 1.687220D+00 (turns, 3rd order) +ETURN4= 6.580750E-01 WEIGHT= 6.623000D-01 (turns, 4th order) +ETURN6= 0.000000E+00 WEIGHT= 0.000000D+00 (turns, 6th order) +ESCCOR= 0.000000E+00 WEIGHT= 0.000000D+00 (backbone-rotamer corr) +EDIHC= 0.000000E+00 (dihedral angle constraints) +ESS= 0.000000E+00 (disulfide-bridge intrinsic energy) +UCONST= 0.000000E+00 (Constraint energy) +EDFAD= 0.000000E+00 (DFA distance energy) +EDFAT= 0.000000E+00 (DFA torsion energy) +EDFAN= 0.000000E+00 (DFA NCa energy) +EDFAB= 0.000000E+00 (DFA Beta energy) +ETOT= 1.480518E+03 (total) +RMS deviation from the reference structure: 0.000 + % of native contacts: 100.000 + % of nonnative contacts: 0.000 + contact order: 0.337 +CG processor 2 is finishing work. + Total wall clock time 1.12109375000000 sec diff --git a/examples/unres/CSA/GAB/CSA/local/pdb2int/1l2y_pdb.out_GB003 b/examples/unres/CSA/GAB/CSA/local/pdb2int/1l2y_pdb.out_GB003 new file mode 100644 index 0000000..5512e35 --- /dev/null +++ b/examples/unres/CSA/GAB/CSA/local/pdb2int/1l2y_pdb.out_GB003 @@ -0,0 +1,221 @@ +******************************************************************************** +United-residue force field calculation - parallel job. +******************************************************************************** + MPI: node= 3 iseed= -12238971 + ran_num 9.501085489173544E-002 +RMSDBC = 3.0 +RMSDBC1 = 0.5 +RMSDBC1MAX = 1.5 +DRMS = 0.1 +RMSDBCM = 3.0 +Time limit (min): 960.0 + RESCALE_MODE 0 +Library routine used to diagonalize matrices. + +Energy-term weights (unscaled): + +WSCC= 1.352790 (SC-SC) +WSCP= 1.593040 (SC-p) +WELEC= 0.715340 (p-p electr) +WVDWPP= 0.113710 (p-p VDW) +WBOND= 1.000000 (stretching) +WANG= 1.138730 (bending) +WSCLOC= 0.162580 (SC local) +WTOR= 1.985990 (torsional) +WTORD= 1.570690 (double torsional) +WSTRAIN= 1.000000 (SS bridges & dist. cnstr.) +WEL_LOC= 0.160360 (multi-body 3-rd order) +WCORR4= 0.428870 (multi-body 4th order) +WCORR5= 0.000000 (multi-body 5th order) +WCORR6= 0.000000 (multi-body 6th order) +WSCCOR= 0.000000 (back-scloc correlation) +WTURN3= 1.687220 (turns, 3rd order) +WTURN4= 0.662300 (turns, 4th order) +WTURN6= 0.000000 (turns, 6th order) +WDFA_D= 0.000000 (DFA, distance) +WDFA_T= 0.000000 (DFA, torsional) +WDFA_N= 0.000000 (DFA, number of neighbor) +WDFA_B= 0.000000 (DFA, beta formation) + +Hydrogen-bonding correlation between contact pairs of peptide groups + +Scaling factor of 1,4 SC-p interactions: 0.400 +General scaling factor of SC-p interactions: 1.000 + +Energy-term weights (scaled): + +WSCC= 1.352790 (SC-SC) +WSCP= 1.593040 (SC-p) +WELEC= 0.715340 (p-p electr) +WVDWPP= 0.113710 (p-p VDW) +WBOND= 1.000000 (stretching) +WANG= 1.138730 (bending) +WSCLOC= 0.162580 (SC local) +WTOR= 1.985990 (torsional) +WTORD= 1.570690 (double torsional) +WSTRAIN= 1.000000 (SS bridges & dist. cnstr.) +WEL_LOC= 0.160360 (multi-body 3-rd order) +WCORR4= 0.428870 (multi-body 4th order) +WCORR5= 0.000000 (multi-body 5th order) +WCORR6= 0.000000 (multi-body 6th order) +WSCCOR= 0.000000 (back-scloc correlatkion) +WTURN3= 1.687220 (turns, 3rd order) +WTURN4= 0.662300 (turns, 4th order) +WTURN6= 0.000000 (turns, 6th order) +WDFA_D= 0.000000 (DFA, distance) +WDFA_T= 0.000000 (DFA, torsional) +WDFA_N= 0.000000 (DFA, number of neighbor) +WDFA_B= 0.000000 (DFA, beta formation) + Reference temperature for weights calculation: 300.000000000000 + Parameters of the SS-bond potential: + D0CM 3.78000000000000 AKCM 15.1000000000000 AKTH + 11.0000000000000 AKCT 12.0000000000000 + V1SS -1.08000000000000 V2SS 7.61000000000000 V3SS + 13.7000000000000 + EBR -5.50000000000000 +PDB data will be read from file 1l2y.pdb + Nres: 21 +Backbone and SC coordinates as read from the PDB + 1 21 D -9.841 4.399 -5.051 -9.841 4.399 -5.051 + 2 14 ASN -8.608 3.135 -1.618 -10.909 3.249 -2.846 + 3 5 LEU -4.923 4.002 -2.452 -4.502 6.849 -1.550 + 4 8 TYR -3.690 2.738 0.981 -1.959 3.143 3.797 + 5 4 ILE -5.857 -0.449 0.613 -7.910 -0.417 1.393 + 6 13 GLN -4.122 -1.167 -2.743 -5.540 -1.315 -5.233 + 7 7 TRP -0.716 -0.631 -0.993 1.727 0.440 1.450 + 8 5 LEU -1.641 -2.932 1.963 -2.262 -1.871 4.556 + 9 19 LYS -3.024 -5.791 -0.269 -3.820 -5.527 -3.146 + 10 16 ASP 0.466 -6.016 -1.905 0.653 -5.125 -3.676 + 11 10 GLY 2.060 -6.618 1.593 2.060 -6.618 1.593 + 12 10 GLY 2.626 -2.967 2.723 2.626 -2.967 2.723 + 13 20 PRO 6.333 -2.533 3.806 5.724 -2.372 5.058 + 14 12 SER 7.049 -6.179 2.704 6.757 -6.938 3.675 + 15 12 SER 6.389 -5.315 -1.015 5.245 -5.350 -1.546 + 16 10 GLY 9.451 -3.116 -1.870 9.451 -3.116 -1.870 + 17 18 ARG 7.289 0.084 -2.054 5.225 -1.826 -3.986 + 18 20 PRO 6.782 3.088 0.345 7.458 3.741 -0.688 + 19 20 PRO 3.287 4.031 1.686 4.025 4.206 2.856 + 20 20 PRO 1.185 6.543 -0.353 0.358 5.421 -0.430 + 21 12 SER 0.852 10.027 1.285 1.151 10.636 1.488 + 22 21 D -1.250 12.539 -0.754 -1.250 12.539 -0.754 +nsup= 20 nstart_sup= 2 + ITEL + 1 21 0 + 2 14 1 + 3 5 1 + 4 8 1 + 5 4 1 + 6 13 1 + 7 7 1 + 8 5 1 + 9 19 1 + 10 16 1 + 11 10 1 + 12 10 2 + 13 20 1 + 14 12 1 + 15 12 1 + 16 10 1 + 17 18 2 + 18 20 2 + 19 20 2 + 20 20 1 + 21 12 0 + ns= 0 iss: +dist_dfa.dat is opened! +phi_dfa.dat is opened! +theta_dfa.dat is opened! +nei_dfa.dat is opened! +beta_dfa.dat is opened! +nsup= 20 + nsup= 20 nstart_sup= 2 nstart_seq= 2 + NZ_START= 2 NZ_END= 21 + IZ_SC= 0 + Processor 0 CG group 0 absolute rank 3 nhpb + 0 link_start= 1 link_end 0 + Contact order: 0.337121212121212 + Shifting contacts: 2 2 + 1 TRP 7 TYR 4 + 2 LEU 8 TYR 4 + 3 LYS 9 GLN 6 + 4 GLY 12 TRP 7 + 5 GLY 12 LEU 8 + 6 SER 14 GLY 11 + 7 SER 15 ASP 10 + 8 SER 15 GLY 11 + 9 PRO 19 TRP 7 + 10 PRO 20 LEU 3 + 11 PRO 20 TYR 4 + 12 PRO 20 TRP 7 + +Geometry of the virtual chain. + Res d Theta Gamma Dsc Alpha Beta +D 1 0.000 0.000 0.000 0.000 0.000 0.000 +ASN 2 3.861 0.000 0.000 2.611 90.531 -178.452 +LEU 3 3.876 92.239 0.000 3.016 101.575 -78.530 +TYR 4 3.861 92.239 -180.000 3.330 163.195 -7.440 +ILE 5 3.871 90.357 45.849 2.196 148.228 -110.333 +GLN 6 3.846 89.090 55.194 2.869 164.593 -141.638 +TRP 7 3.867 88.657 49.396 3.617 123.650 -21.913 +LEU 8 3.859 93.032 48.298 2.869 156.202 -108.750 +LYS 9 3.882 94.826 46.843 2.997 106.974 -55.960 +ASP 10 3.861 87.966 59.623 1.991 153.447 -128.646 +GLY 11 3.891 89.908 56.679 0.000 0.000 0.000 +GLY 12 3.864 100.181 -87.304 0.000 0.000 0.000 +PRO 13 3.886 109.073 -127.499 1.402 101.771 -115.580 +SER 14 3.876 89.537 4.261 1.267 144.515 -129.218 +SER 15 3.875 91.815 66.108 1.262 161.047 -100.177 +GLY 16 3.866 101.784 70.140 0.000 0.000 0.000 +ARG 17 3.866 92.201 -108.949 3.411 139.846 -132.716 +PRO 18 3.878 133.225 103.824 1.397 115.610 -118.024 +PRO 19 3.860 121.502 -122.527 1.395 118.575 -122.417 +PRO 20 3.858 117.950 -90.285 1.396 118.959 -126.207 +SER 21 3.864 114.201 -108.328 0.708 128.925 -37.341 +D 22 3.858 114.201 180.000 0.000 0.000 0.000 + + +******************************************************************************** + Processor 3: end reading molecular data. +******************************************************************************** + + +Energy evaluation or minimization calculation. + +******************************************************************************** + + Time for energy evaluation 0.000000000000000E+000 + +Virtual-chain energies: + +EVDW= -1.313715E+01 WEIGHT= 1.352790D+00 (SC-SC) +EVDW2= 4.471415E+01 WEIGHT= 1.593040D+00 (SC-p) +EES= -9.165378E+01 WEIGHT= 7.153400D-01 (p-p) +EVDWPP= -3.362882E+01 WEIGHT= 1.137100D-01 (p-p VDW) +ESTR= 1.489925E+03 WEIGHT= 1.000000D+00 (stretching) +EBE= -3.261471E+01 WEIGHT= 1.138730D+00 (bending) +ESC= 6.169976E+01 WEIGHT= 1.625800D-01 (SC local) +ETORS= 1.479510E+01 WEIGHT= 1.985990D+00 (torsional) +ETORSD= 1.006444E+00 WEIGHT= 1.570690D+00 (double torsional) +EHBP= 0.000000E+00 WEIGHT= 1.000000D+00 (SS bridges & dist. cnstr.) +ECORR4= -6.528803E+01 WEIGHT= 4.288700D-01 (multi-body) +ECORR5= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body) +ECORR6= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body) +EELLO= -4.012900E+00 WEIGHT= 1.603600D-01 (electrostatic-local) +ETURN3= 1.829789E+01 WEIGHT= 1.687220D+00 (turns, 3rd order) +ETURN4= 6.580750E-01 WEIGHT= 6.623000D-01 (turns, 4th order) +ETURN6= 0.000000E+00 WEIGHT= 0.000000D+00 (turns, 6th order) +ESCCOR= 0.000000E+00 WEIGHT= 0.000000D+00 (backbone-rotamer corr) +EDIHC= 0.000000E+00 (dihedral angle constraints) +ESS= 0.000000E+00 (disulfide-bridge intrinsic energy) +UCONST= 0.000000E+00 (Constraint energy) +EDFAD= 0.000000E+00 (DFA distance energy) +EDFAT= 0.000000E+00 (DFA torsion energy) +EDFAN= 0.000000E+00 (DFA NCa energy) +EDFAB= 0.000000E+00 (DFA Beta energy) +ETOT= 1.480518E+03 (total) +RMS deviation from the reference structure: 0.000 + % of native contacts: 100.000 + % of nonnative contacts: 0.000 + contact order: 0.337 +CG processor 3 is finishing work. + Total wall clock time 1.10156250000000 sec diff --git a/examples/unres/CSA/GAB/CSA/local/pdb2int/1l2y_pdb_GB000.int b/examples/unres/CSA/GAB/CSA/local/pdb2int/1l2y_pdb_GB000.int new file mode 100644 index 0000000..dcee669 --- /dev/null +++ b/examples/unres/CSA/GAB/CSA/local/pdb2int/1l2y_pdb_GB000.int @@ -0,0 +1,13 @@ + 0 1480.518 0 + 92.2388 92.2388 90.3570 89.0899 88.6572 93.0319 94.8258 87.9664 + 89.9076 100.1805 109.0732 89.5374 91.8151 101.7839 92.2014 133.2247 + 121.5017 117.9501 114.2013 114.2013 + -180.0000 45.8488 55.1936 49.3961 48.2980 46.8430 59.6233 56.6787 + -87.3042 -127.4990 4.2610 66.1079 70.1396 -108.9488 103.8242 -122.5265 + -90.2854 -108.3282 180.0000 + 90.5307 101.5748 163.1951 148.2278 164.5930 123.6495 156.2016 106.9744 + 153.4470 180.0000 180.0000 101.7709 144.5146 161.0471 180.0000 139.8455 + 115.6096 118.5749 118.9588 128.9250 + -178.4521 -78.5297 -7.4402 -110.3334 -141.6382 -21.9127 -108.7501 -55.9598 + -128.6458 180.0000 180.0000 -115.5797 -129.2177 -100.1770 180.0000 -132.7159 + -118.0237 -122.4174 -126.2067 -37.3415 diff --git a/examples/unres/CSA/GAB/CSA/local/pdb2int/1l2y_pdb_GB000.mol2 b/examples/unres/CSA/GAB/CSA/local/pdb2int/1l2y_pdb_GB000.mol2 new file mode 100644 index 0000000..e69de29 diff --git a/examples/unres/CSA/GAB/CSA/local/pdb2int/1l2y_pdb_GB000.pdb b/examples/unres/CSA/GAB/CSA/local/pdb2int/1l2y_pdb_GB000.pdb new file mode 100644 index 0000000..e69de29 diff --git a/examples/unres/CSA/GAB/CSA/local/pdb2int/1l2y_pdb_GB000.stat b/examples/unres/CSA/GAB/CSA/local/pdb2int/1l2y_pdb_GB000.stat new file mode 100644 index 0000000..e69de29 diff --git a/examples/unres/CSA/GAB/CSA/local/pdb2int/1l2y_pdb_GB001.int b/examples/unres/CSA/GAB/CSA/local/pdb2int/1l2y_pdb_GB001.int new file mode 100644 index 0000000..dcee669 --- /dev/null +++ b/examples/unres/CSA/GAB/CSA/local/pdb2int/1l2y_pdb_GB001.int @@ -0,0 +1,13 @@ + 0 1480.518 0 + 92.2388 92.2388 90.3570 89.0899 88.6572 93.0319 94.8258 87.9664 + 89.9076 100.1805 109.0732 89.5374 91.8151 101.7839 92.2014 133.2247 + 121.5017 117.9501 114.2013 114.2013 + -180.0000 45.8488 55.1936 49.3961 48.2980 46.8430 59.6233 56.6787 + -87.3042 -127.4990 4.2610 66.1079 70.1396 -108.9488 103.8242 -122.5265 + -90.2854 -108.3282 180.0000 + 90.5307 101.5748 163.1951 148.2278 164.5930 123.6495 156.2016 106.9744 + 153.4470 180.0000 180.0000 101.7709 144.5146 161.0471 180.0000 139.8455 + 115.6096 118.5749 118.9588 128.9250 + -178.4521 -78.5297 -7.4402 -110.3334 -141.6382 -21.9127 -108.7501 -55.9598 + -128.6458 180.0000 180.0000 -115.5797 -129.2177 -100.1770 180.0000 -132.7159 + -118.0237 -122.4174 -126.2067 -37.3415 diff --git a/examples/unres/CSA/GAB/CSA/local/pdb2int/1l2y_pdb_GB002.int b/examples/unres/CSA/GAB/CSA/local/pdb2int/1l2y_pdb_GB002.int new file mode 100644 index 0000000..dcee669 --- /dev/null +++ b/examples/unres/CSA/GAB/CSA/local/pdb2int/1l2y_pdb_GB002.int @@ -0,0 +1,13 @@ + 0 1480.518 0 + 92.2388 92.2388 90.3570 89.0899 88.6572 93.0319 94.8258 87.9664 + 89.9076 100.1805 109.0732 89.5374 91.8151 101.7839 92.2014 133.2247 + 121.5017 117.9501 114.2013 114.2013 + -180.0000 45.8488 55.1936 49.3961 48.2980 46.8430 59.6233 56.6787 + -87.3042 -127.4990 4.2610 66.1079 70.1396 -108.9488 103.8242 -122.5265 + -90.2854 -108.3282 180.0000 + 90.5307 101.5748 163.1951 148.2278 164.5930 123.6495 156.2016 106.9744 + 153.4470 180.0000 180.0000 101.7709 144.5146 161.0471 180.0000 139.8455 + 115.6096 118.5749 118.9588 128.9250 + -178.4521 -78.5297 -7.4402 -110.3334 -141.6382 -21.9127 -108.7501 -55.9598 + -128.6458 180.0000 180.0000 -115.5797 -129.2177 -100.1770 180.0000 -132.7159 + -118.0237 -122.4174 -126.2067 -37.3415 diff --git a/examples/unres/CSA/GAB/CSA/local/pdb2int/1l2y_pdb_GB003.int b/examples/unres/CSA/GAB/CSA/local/pdb2int/1l2y_pdb_GB003.int new file mode 100644 index 0000000..dcee669 --- /dev/null +++ b/examples/unres/CSA/GAB/CSA/local/pdb2int/1l2y_pdb_GB003.int @@ -0,0 +1,13 @@ + 0 1480.518 0 + 92.2388 92.2388 90.3570 89.0899 88.6572 93.0319 94.8258 87.9664 + 89.9076 100.1805 109.0732 89.5374 91.8151 101.7839 92.2014 133.2247 + 121.5017 117.9501 114.2013 114.2013 + -180.0000 45.8488 55.1936 49.3961 48.2980 46.8430 59.6233 56.6787 + -87.3042 -127.4990 4.2610 66.1079 70.1396 -108.9488 103.8242 -122.5265 + -90.2854 -108.3282 180.0000 + 90.5307 101.5748 163.1951 148.2278 164.5930 123.6495 156.2016 106.9744 + 153.4470 180.0000 180.0000 101.7709 144.5146 161.0471 180.0000 139.8455 + 115.6096 118.5749 118.9588 128.9250 + -178.4521 -78.5297 -7.4402 -110.3334 -141.6382 -21.9127 -108.7501 -55.9598 + -128.6458 180.0000 180.0000 -115.5797 -129.2177 -100.1770 180.0000 -132.7159 + -118.0237 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+ 0.249110 + 0.248440 + 0.244830 + 0.243880 + 0.239950 +END diff --git a/examples/unres/CSA/GAB/CSA/local/pdb2int/start.mat b/examples/unres/CSA/GAB/CSA/local/pdb2int/start.mat new file mode 100755 index 0000000..8a1c23d --- /dev/null +++ b/examples/unres/CSA/GAB/CSA/local/pdb2int/start.mat @@ -0,0 +1,11 @@ +#PBS -N local_1l2y_pdb +#PBS -q special +#PBS -l nodes=1:ppn=4 +#PBS -l walltime=168:00:00 + +setenv MPIRUN "/users/local/mpi64/mpich-1.2.7p1/bin/mpirun " +setenv NPROCS `cat $PBS_NODEFILE | wc -l` + +cd $PBS_O_WORKDIR +$MPIRUN -machinefile $PBS_NODEFILE -np $NPROCS unres.csh + diff --git a/examples/unres/CSA/GAB/CSA/local/pdb2int/theta_dfa.dat b/examples/unres/CSA/GAB/CSA/local/pdb2int/theta_dfa.dat new file mode 100644 index 0000000..e9f48d0 --- /dev/null +++ b/examples/unres/CSA/GAB/CSA/local/pdb2int/theta_dfa.dat @@ -0,0 +1,496 @@ +Theta Angle restraint + 12 + 0.00000000 + 3 4 5 6 7 20 + -0.550021061 -0.714795735 + -0.995048367 -0.735605152 + -0.937267747 -0.999102156 + 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/users/bartek/UNRESPACK/unres/PARAM +setenv BONDPAR $DD/bond.parm +setenv THETPAR $DD/thetaml.5parm +setenv ROTPAR $DD/scgauss.parm +setenv TORPAR $DD/torsion_631Gdp.parm +setenv TORDPAR $DD/torsion_double_631Gdp.parm +setenv ELEPAR $DD/electr_631Gdp.parm +setenv SIDEPAR $DD/sc_GB_opt.1gab_3S_qclass5no310-shan2-sc-16-10-8k +setenv FOURIER $DD/fourier_opt.parm.1igd_hc_iter3_3 +setenv SCCORPAR $DD/rotcorr_AM1.parm +setenv SCPPAR $DD/scp.parm +setenv PATTERN $DD/patterns.cart +setenv PRINT_PARM NO +#----------------------------------------------------------------------------- + +$UNRES_BIN $* diff --git a/examples/unres/CSA/GAB/CSA/local/start.mat b/examples/unres/CSA/GAB/CSA/local/start.mat new file mode 100755 index 0000000..f11984f --- /dev/null +++ b/examples/unres/CSA/GAB/CSA/local/start.mat @@ -0,0 +1,11 @@ +#PBS -N local_1l2y_csa +#PBS -q special +#PBS -l nodes=15:ppn=4 +#PBS -l walltime=168:00:00 + +setenv MPIRUN "/users/local/mpi64/mpich-1.2.7p1/bin/mpirun " +setenv NPROCS `cat $PBS_NODEFILE | wc -l` + +cd $PBS_O_WORKDIR +$MPIRUN -machinefile $PBS_NODEFILE -np $NPROCS unres.csh + diff --git a/examples/unres/CSA/GAB/CSA/local/unres.csh b/examples/unres/CSA/GAB/CSA/local/unres.csh new file mode 100755 index 0000000..7c1f322 --- /dev/null +++ b/examples/unres/CSA/GAB/CSA/local/unres.csh @@ -0,0 +1,25 @@ +#!/bin/csh -f + +setenv FGPROCS 1 +setenv POT GB +setenv PREFIX 1l2y_csa +setenv OUT1FILE NO +#----------------------------------------------------------------------------- +setenv UNRES_BIN /users/bartek/UNRESPACK/unres/bin/unres/CSA/unres_csa_ifort_mpich-1.2.7p1.exe +#----------------------------------------------------------------------------- +setenv DD /users/bartek/UNRESPACK/unres/PARAM +setenv BONDPAR $DD/bond.parm +setenv THETPAR $DD/thetaml.5parm +setenv ROTPAR $DD/scgauss.parm +setenv TORPAR $DD/torsion_631Gdp.parm +setenv TORDPAR $DD/torsion_double_631Gdp.parm +setenv ELEPAR $DD/electr_631Gdp.parm +setenv SIDEPAR $DD/sc_GB_opt.1gab_3S_qclass5no310-shan2-sc-16-10-8k +setenv FOURIER $DD/fourier_opt.parm.1igd_hc_iter3_3 +setenv SCCORPAR $DD/rotcorr_AM1.parm +setenv SCPPAR $DD/scp.parm +setenv PATTERN $DD/patterns.cart +setenv PRINT_PARM NO +#----------------------------------------------------------------------------- + +$UNRES_BIN $* diff --git a/examples/unres/CSA/GAB/CSA/start.mat b/examples/unres/CSA/GAB/CSA/start.mat deleted file mode 100755 index 297cfd8..0000000 --- a/examples/unres/CSA/GAB/CSA/start.mat +++ /dev/null @@ -1,11 +0,0 @@ -#PBS -N global_1l2y_csa -#PBS -q special -#PBS -l nodes=8:ppn=4 -#PBS -l walltime=168:00:00 - -setenv MPIRUN "/users/local/mpi64/mpich-1.2.7p1/bin/mpirun " -setenv NPROCS `cat $PBS_NODEFILE | wc -l` - -cd $PBS_O_WORKDIR -$MPIRUN -machinefile $PBS_NODEFILE -np $NPROCS unres.csh - diff --git a/examples/unres/CSA/GAB/CSA/unres.csh b/examples/unres/CSA/GAB/CSA/unres.csh deleted file mode 100755 index 7c1f322..0000000 --- a/examples/unres/CSA/GAB/CSA/unres.csh +++ /dev/null @@ -1,25 +0,0 @@ -#!/bin/csh -f - -setenv FGPROCS 1 -setenv POT GB -setenv PREFIX 1l2y_csa -setenv OUT1FILE NO -#----------------------------------------------------------------------------- -setenv UNRES_BIN /users/bartek/UNRESPACK/unres/bin/unres/CSA/unres_csa_ifort_mpich-1.2.7p1.exe -#----------------------------------------------------------------------------- -setenv DD /users/bartek/UNRESPACK/unres/PARAM -setenv BONDPAR $DD/bond.parm -setenv THETPAR $DD/thetaml.5parm -setenv ROTPAR $DD/scgauss.parm -setenv TORPAR $DD/torsion_631Gdp.parm -setenv TORDPAR $DD/torsion_double_631Gdp.parm -setenv ELEPAR $DD/electr_631Gdp.parm -setenv SIDEPAR $DD/sc_GB_opt.1gab_3S_qclass5no310-shan2-sc-16-10-8k -setenv FOURIER $DD/fourier_opt.parm.1igd_hc_iter3_3 -setenv SCCORPAR $DD/rotcorr_AM1.parm -setenv SCPPAR $DD/scp.parm -setenv PATTERN $DD/patterns.cart -setenv PRINT_PARM NO -#----------------------------------------------------------------------------- - -$UNRES_BIN $* -- 1.7.9.5